Secondary structure calculation program - copyright by David Keith Smith, 1989
 1kpiA.pdb                                                   
 1KPI  TRANSFERASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  291
             A       A K K                                                                        hydrogen bonding             Ooi's
 strk chain/ l amino u & S structure   bridge        dihedral angles                     donor    acceptor   donor    acceptor  N  N
 num  seq.no t acids t S + patterns   partners    phi    psi  omega  alpha kappa   tco to/energy fr/energy to/energy fr/energy  8 14
    1 A  12    GLN Q                    0    0  999.9  163.7 -178.6  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  3 25
    2 A  13    LEU L               -    0    0  -79.9  154.7 -178.6 -136.1 999.9 112.3    0  0.0    0  0.0    0  0.0    0  0.0  7 32
    3 A  14    LYS K               -    0    0 -116.1  116.3  179.8 -124.6  19.7 159.0    0  0.0  143 -2.3    0  0.0    0  0.0  9 34
    4 A  15    PRO P               -    0    0  -56.1  145.3  179.8 -116.0  23.5  99.3    0  0.0    6 -1.8    0  0.0    0  0.0 10 45
    5 A  16    PRO P     h >     T +    0    0  -82.5   71.3 -177.5  157.9  52.4 121.1    0  0.0    9 -2.1    0  0.0    0  0.0 10 45
    6 A  17    VAL V   H H >     T +    0    0  -65.2  -56.9 -178.8   39.5  67.6  16.6    4 -1.8   10 -3.2    0  0.0    0  0.0 10 44
    7 A  18    GLU E   H H >     TS+    0    0  -62.3  -41.6  179.7   51.1 117.4  22.9    0  0.0   11 -2.0    0  0.0    0  0.0  6 36
    8 A  19    ALA A   H H 4     TS+    0    0  -60.9  -45.9 -179.7   41.4 115.7  21.1    0  0.0    0  0.0    0  0.0    0  0.0 10 39
    9 A  20    VAL V   H H X   > TS+    0    0  -69.2  -43.6 -179.8   49.5 115.3  21.8    5 -2.1   13 -1.6    0  0.0   12 -1.1 13 53
   10 A  21    ARG R   H H X   3 TS+    0    0  -67.3  -25.5  179.8   73.4  94.5  40.0    6 -3.2   14 -1.5    0  0.0    0  0.0 12 42
   11 A  22    SER S   H H <   3 TS+    0    0  -58.8  -27.1  179.9   23.4 114.7  36.6    7 -2.0    0  0.0    0  0.0    0  0.0  9 38
   12 A  23    HIS H   H H 4   X TS+    0    0 -100.4  -68.8 -176.6   45.0 123.6  31.0    9 -1.1   15 -1.7    0  0.0    0  0.0  9 46
   13 A  24    TYR Y   H H <   3 TS+    0    0  -58.4  -15.5  178.8   55.0 109.4  55.3    9 -1.6    0  0.0    0  0.0    0  0.0 10 52
   14 A  25    ASP D   T h <   3 TS+    0    0 -106.0   25.7 -179.1  113.3  71.6  85.3   10 -1.5    0  0.0    0  0.0    0  0.0 11 40
   15 A  26    LYS K   S t     < TS-    0    0  -60.8  -39.3 -179.6  -56.1  96.3  30.6   12 -1.7    0  0.0    0  0.0    0  0.0  8 45
   16 A  27    SER S     h >     T -    0    0  154.6  119.3  179.8 -141.3  35.7 107.2    0  0.0   20 -2.2    0  0.0    0  0.0  8 38
   17 A  28    ASN N   H H >     TS+    0    0  -61.6  -42.2 -179.7   55.5 105.4  26.7    0  0.0   21 -2.4    0  0.0    0  0.0 10 40
   18 A  29    GLU E   H H >     TS+    0    0  -56.7  -41.5  179.2   50.5 109.0  25.4    0  0.0   22 -1.4    0  0.0    0  0.0  6 37
   19 A  30    PHE F   H H >   > TS+    0    0  -60.2  -57.4 -180.0   45.9 110.3  16.6    0  0.0   23 -0.8    0  0.0   22 -0.6 11 46
   20 A  31    PHE F   H H X   > TS+    0    0  -57.9  -33.7  180.0   59.0 108.4  34.0   16 -2.2   24 -2.3    0  0.0   23 -0.5  9 55
   21 A  32    LYS K   H H <   3 TS+    0    0  -63.3  -39.0 -179.2   68.2  92.5  28.4   17 -2.4    0  0.0    0  0.0    0  0.0 10 46
   22 A  33    LEU L   H H <   < TS+    0    0  -50.8  -38.9 -179.4   17.0 118.9  33.6   18 -1.4    0  0.0   19 -0.6    0  0.0 10 42
   23 A  34    TRP W   H H <   < TS+    0    0 -113.7  -16.0  178.8   86.8 105.6  49.8   19 -0.8    0  0.0   20 -0.5    0  0.0 12 50
   24 A  35    LEU L   S h <     TS-    0    0  -79.0  165.2  179.6  -93.0  87.1 110.7   20 -2.3    0  0.0    0  0.0    0  0.0 12 50
   25 A  36    ASP D     t     > T -    0    0  -67.3  175.3 -179.7  -88.1  51.7  97.9    0  0.0   28 -1.9    0  0.0    0  0.0  9 47
   26 A  37    PRO P   T T     3 TS+    0    0  -57.3  -31.1 -179.8   50.7 130.2  34.4    0  0.0    0  0.0    0  0.0    0  0.0  7 39
   27 A  38    SER S   T T     3 TS-    0    0  -85.6    1.4 -179.7 -130.4 104.9  63.9    0  0.0   74 -0.5    0  0.0    0  0.0  8 46
   28 A  39    MET M     t     < T +    0    0   53.3   33.6  178.2  174.1  40.6  35.5   25 -1.9   72 -0.5    0  0.0    0  0.0 10 55
   29 A  40    THR T               -    0    0  -70.8  126.1 -176.5 -165.3  13.9 127.4    0  0.0    0  0.0    0  0.0    0  0.0 13 59
   30 A  41    TYR Y               +    0    0 -117.8   56.7  178.0   72.4  51.1 113.4    0  0.0    0  0.0    0  0.0    0  0.0  8 70
   31 A  42    SER S   S S        S-    0    0 -155.2  167.7 -179.1  -47.4  96.0 162.3    0  0.0    0  0.0    0  0.0    0  0.0  6 72
   32 A  43    CYS C               -    0    0  -44.2  120.1  179.6 -138.7  59.2  97.4    0  0.0    0  0.0    0  0.0    0  0.0 12 66
   33 A  44    ALA A               -    0    0  -75.5  173.3 -179.3 -131.8   8.4 101.6    0  0.0    0  0.0    0  0.0    0  0.0 12 57
   34 A  45    TYR Y               -    0    0 -135.4  104.0  179.9 -162.5   9.9 152.5   45 -1.0   36 -1.7    0  0.0    0  0.0 10 51
   35 A  46    PHE F               +    0    0  -87.3   80.5  180.0  167.9  18.7 128.0    0  0.0    0  0.0    0  0.0    0  0.0 13 38
   36 A  47    GLU E   S S        S+    0    0  -64.1  -22.6  177.8   32.5  73.7  45.7   34 -1.7    0  0.0    0  0.0    0  0.0  7 31
   37 A  48    ARG R   S t     > TS-    0    0 -139.2  135.7 -179.3 -122.1  86.1 177.3    0  0.0   40 -1.9    0  0.0    0  0.0  5 23
   38 A  49    PRO P   T T     3 TS+    0    0  -46.8  -28.4 -177.1   54.4 106.1  46.7    0  0.0    0  0.0    0  0.0    0  0.0  5 20
   39 A  50    ASP D   T T     3 TS+    0    0  -98.5   12.9  179.8  122.8  76.8  72.2    0  0.0    0  0.0    0  0.0    0  0.0  5 19
   40 A  51    MET M     t     < T -    0    0  -74.2  148.5  176.7 -133.2  55.6 113.6   37 -1.9    0  0.0    0  0.0    0  0.0 10 25
   41 A  52    THR T     h >     T -    0    0  -87.1  171.4  179.0  -97.2  36.6 115.6    0  0.0   45 -2.4    0  0.0    0  0.0  6 35
   42 A  53    LEU L   H H >     TS+    0    0  -54.7  -50.3 -179.4   51.8 127.5  16.1    0  0.0   46 -2.5    0  0.0    0  0.0 10 43
   43 A  54    GLU E   H H >     TS+    0    0  -55.8  -36.9  180.0   45.0 111.6  34.3    0  0.0   47 -1.7    0  0.0    0  0.0 10 42
   44 A  55    GLU E   H H >     TS+    0    0  -78.8  -29.0  179.4   53.5 111.5  36.0    0  0.0   48 -2.1    0  0.0    0  0.0  9 35
   45 A  56    ALA A   H H X     TS+    0    0  -71.1  -37.4  178.5   51.1 107.5  29.8   41 -2.4   49 -2.3    0  0.0   34 -1.0 13 44
   46 A  57    GLN Q   H H X     TS+    0    0  -64.5  -46.7  178.8   48.0 110.6  19.8   42 -2.5   50 -2.8    0  0.0    0  0.0 13 54
   47 A  58    TYR Y   H H X     TS+    0    0  -58.8  -42.5  179.4   51.2 111.8  22.7   43 -1.7   51 -2.7    0  0.0    0  0.0  8 45
   48 A  59    ALA A   H H X     TS+    0    0  -61.7  -37.7  179.3   49.7 109.9  30.2   44 -2.1   52 -2.2    0  0.0    0  0.0 12 44
   49 A  60    LYS K   H H X     TS+    0    0  -67.4  -44.9  179.5   48.0 111.2  22.3   45 -2.3   53 -2.0    0  0.0    0  0.0 12 59
   50 A  61    ARG R   H H X     TS+    0    0  -60.4  -45.3 -179.7   47.8 113.8  23.4   46 -2.8   54 -2.7    0  0.0    0  0.0 10 65
   51 A  62    LYS K   H H X     TS+    0    0  -62.8  -43.5  179.0   56.0 107.3  25.8   47 -2.7   55 -2.9    0  0.0    0  0.0  8 49
   52 A  63    LEU L   H H X     TS+    0    0  -53.8  -48.5 -179.3   41.2 113.4  22.0   48 -2.2   56 -0.5    0  0.0    0  0.0  8 48
   53 A  64    ALA A   H H <   > TS+    0    0  -66.9  -51.5 -178.3   47.1 116.6  17.6   49 -2.0   56 -1.1    0  0.0    0  0.0 11 60
   54 A  65    LEU L   H H <   > TS+    0    0  -62.5  -38.9  179.7   61.2 102.7  31.0   50 -2.7   57 -1.7    0  0.0    0  0.0 12 57
   55 A  66    ASP D   H H <   > TS+    0    0  -61.8  -19.4 -179.6   60.9  99.0  42.7   51 -2.9   58 -0.6    0  0.0    0  0.0  8 46
   56 A  67    LYS K   T h <   < TS+    0    0  -81.9  -15.3 -179.0   65.0  91.5  50.7   53 -1.1    0  0.0   52 -0.5    0  0.0  8 42
   57 A  68    LEU L   T T     < TS-    0    0  -85.5   -4.6  179.5 -136.0  96.8  57.0   54 -1.7    0  0.0    0  0.0    0  0.0 11 55
   58 A  69    ASN N     t     < T -    0    0   46.9   57.1 -178.7 -164.8  33.0  19.0   55 -0.6    0  0.0    0  0.0    0  0.0  6 41
   59 A  70    LEU L               -    0    0  -78.1  133.5  177.2 -164.8  13.1 123.0    0  0.0    0  0.0    0  0.0    0  0.0 10 44
   60 A  71    GLU E     t     > T -    0    0 -112.6  155.0 -179.8  -85.2  37.7 144.8    0  0.0   63 -1.6    0  0.0    0  0.0  8 30
   61 A  72    PRO P   T T     3 TS+    0    0  -60.7  142.6 -180.0   28.9 112.5 106.6    0  0.0    0  0.0    0  0.0    0  0.0  7 28
   62 A  73    GLY G   T T     3 TS+    0    0   97.0  -25.4  179.3  127.0  88.2  85.4   84 -2.0    0  0.0    0  0.0    0  0.0  8 28
   63 A  74    MET M     e     < T -    0    0  -62.5  161.5  178.5 -119.1  62.1  98.8   60 -1.6   86 -3.7    0  0.0   65 -0.6 11 43
   64 A  75    THR T   E E  Aa     -   86    0 -108.6  117.2  179.6 -160.8  27.2 158.9    0  0.0  128 -1.6    0  0.0  129 -1.5 11 50
   65 A  76    LEU L   E E  Aab    -   87  129  -99.3  138.4  179.1 -151.9   3.6 144.2   86 -4.0   88 -2.5   63 -0.6   67 -0.5 14 64
   66 A  77    LEU L   E E  Aab    -   88  130 -113.8  120.9  178.7 -163.7   3.7 162.1  129 -2.2  131 -2.8    0  0.0   68 -0.8 13 71
   67 A  78    ASP D   E E  Aab    -   89  131 -104.5  103.9  179.9 -154.6  11.1 152.6   88 -2.8   90 -2.6   65 -0.5   69 -0.9 14 70
   68 A  79    ILE I   E E  Aa    S+   90    0  -83.2  106.6 -178.4    6.0  81.8 134.2  131 -2.2    0  0.0   66 -0.8    0  0.0 13 73
   69 A  80    GLY G   S e        S-    0    0   84.1   64.7 -177.0 -175.1  77.3  20.4   90 -1.2    0  0.0   67 -0.9    0  0.0 12 66
   70 A  81    CYS C     t     > T -    0    0  -76.7    2.9  179.4 -170.7   7.4  70.0   90 -2.4   73 -2.2    0  0.0    0  0.0 14 67
   71 A  82    GLY G   T T     3 TS-    0    0   42.7 -127.5 -179.3   -7.1  71.6  94.3    0  0.0    0  0.0    0  0.0    0  0.0 10 70
   72 A  83    TRP W   T T     3 TS-    0    0  -90.8   32.9  176.1 -106.4 102.0  91.0   28 -0.5    0  0.0    0  0.0    0  0.0 12 65
   73 A  84    GLY G   S h >   X TS+    0    0   70.3   -9.4 -179.2  130.3  77.1  77.0   70 -2.2   77 -2.5    0  0.0   76 -0.6 12 64
   74 A  85    SER S   H H >   3 TS+    0    0  -43.8  -47.5 -178.4   49.2  76.7  31.3   27 -0.5   78 -2.6    0  0.0    0  0.0 11 67
   75 A  86    THR T   H H >   3 TS+    0    0  -64.2  -39.6  179.3   48.1 112.0  26.9    0  0.0   79 -2.6    0  0.0    0  0.0 10 74
   76 A  87    MET M   H H >   < TS+    0    0  -63.2  -53.0 -179.5   46.6 113.5  13.9   73 -0.6   80 -2.1    0  0.0    0  0.0 13 67
   77 A  88    ARG R   H H X     TS+    0    0  -56.0  -41.2 -179.8   46.9 115.5  28.5   73 -2.5   81 -1.9    0  0.0    0  0.0 10 57
   78 A  89    HIS H   H H X     TS+    0    0  -69.1  -41.4 -179.1   55.8 108.3  26.1   74 -2.6   82 -2.4    0  0.0    0  0.0  9 56
   79 A  90    ALA A   H H X     TS+    0    0  -59.0  -44.3 -179.4   41.2 112.2  26.9   75 -2.6   83 -1.6    0  0.0   85 -0.5 13 59
   80 A  91    VAL V   H H X     TS+    0    0  -69.5  -53.8 -178.7   49.0 115.9  14.5   76 -2.1   84 -2.2    0  0.0    0  0.0 13 51
   81 A  92    ALA A   H H <     TS+    0    0  -57.4  -35.8 -178.3   30.7 122.9  35.3   77 -1.9    0  0.0    0  0.0    0  0.0  7 37
   82 A  93    GLU E   H H <     TS+    0    0 -102.7  -14.9 -178.9   23.5 134.2  50.8   78 -2.4    0  0.0    0  0.0    0  0.0  6 38
   83 A  94    TYR Y   H H <     TS-    0    0 -126.6   -8.1  179.1 -130.0  90.7  60.4   79 -1.6    0  0.0    0  0.0    0  0.0  9 40
   84 A  95    ASP D     h <     T +    0    0   57.8   50.6  178.8  140.0  57.2  21.9   80 -2.2   62 -2.0    0  0.0    0  0.0 11 35
   85 A  96    VAL V               -    0    0 -115.1  171.4  178.2 -104.0  57.1 133.1   79 -0.5    0  0.0    0  0.0    0  0.0 15 39
   86 A  97    ASN N   E E  Aa     -   64    0  -93.1  143.9  179.2 -154.7  39.3 139.0   63 -3.7   65 -4.0    0  0.0    0  0.0 12 43
   87 A  98    VAL V   E E  Aac    -   65  113 -130.8  138.4  177.1 -171.5  18.8 167.4  112 -3.2  114 -3.0    0  0.0    0  0.0 15 57
   88 A  99    ILE I   E E  Aac    -   66  114 -119.1  126.6 -179.6 -158.7  17.4 170.5   65 -2.5   67 -2.8    0  0.0    0  0.0 14 55
   89 A 100    GLY G   E E  Aac    -   67  115 -115.5  133.6  179.1 -158.1   2.7 158.2  114 -4.0  116 -3.2    0  0.0    0  0.0 15 61
   90 A 101    LEU L   E E  Aac    +   68  116 -106.7  138.1  178.6  147.0  24.2 149.1   67 -2.6   70 -2.4    0  0.0   69 -1.2 15 61
   91 A 102    THR T   E E  A c    -    0  117 -162.3  158.2  179.8 -148.7  41.6 168.9  116 -1.4  118 -0.5    0  0.0    0  0.0 15 60
   92 A 103    LEU L   S S        S+    0    0 -110.0   -3.6 -179.6  104.8  70.3  65.7    0  0.0    0  0.0    0  0.0    0  0.0 12 54
   93 A 104    SER S     h >     T -    0    0  -83.9  133.8  179.5 -159.4  55.5 129.3    0  0.0   97 -1.4    0  0.0    0  0.0 13 43
   94 A 105    GLU E   H H >     TS+    0    0  -77.4  -37.8  179.7   48.1  94.1  31.1    0  0.0   98 -2.6    0  0.0    0  0.0  9 37
   95 A 106    ASN N   H H >     TS+    0    0  -71.4  -35.9  179.6   49.6 111.7  31.5    0  0.0   99 -2.8    0  0.0    0  0.0 10 39
   96 A 107    GLN Q   H H >     TS+    0    0  -68.7  -40.4  178.9   48.8 112.3  24.3    0  0.0  100 -2.9    0  0.0    0  0.0 14 53
   97 A 108    TYR Y   H H X     TS+    0    0  -60.7  -52.6  179.7   45.6 113.8  16.0   93 -1.4  101 -2.8    0  0.0    0  0.0 14 44
   98 A 109    ALA A   H H X     TS+    0    0  -55.7  -46.5 -179.4   48.0 115.3  24.1   94 -2.6  102 -1.5    0  0.0    0  0.0  8 36
   99 A 110    HIS H   H H X     TS+    0    0  -63.8  -42.6 -177.8   42.9 115.5  28.0   95 -2.8  103 -2.3    0  0.0    0  0.0 10 45
  100 A 111    ASP D   H H X     TS+    0    0  -75.1  -35.6  179.8   58.6 107.5  31.2   96 -2.9  104 -2.5    0  0.0    0  0.0 11 52
  101 A 112    LYS K   H H X     TS+    0    0  -59.0  -39.2  179.7   38.2 115.6  26.7   97 -2.8  105 -0.8    0  0.0    0  0.0 10 38
  102 A 113    ALA A   H H X     TS+    0    0  -78.8  -42.3 -178.9   56.6 111.6  27.9   98 -1.5  106 -1.2    0  0.0    0  0.0  8 28
  103 A 114    MET M   H H X     TS+    0    0  -59.1  -38.7 -179.3   48.9 108.1  28.7   99 -2.3  107 -0.7    0  0.0    0  0.0  9 38
  104 A 115    PHE F   H H <     TS+    0    0  -70.5  -32.9  179.4   61.7 103.3  32.5  100 -2.5    0  0.0    0  0.0    0  0.0 10 37
  105 A 116    ASP D   H H <     TS+    0    0  -61.8  -31.7 -179.6   68.4  92.4  37.6  101 -0.8    0  0.0    0  0.0    0  0.0  7 25
  106 A 117    GLU E   H H <     TS+    0    0  -54.6  -61.3  179.4   37.6 103.1  16.2  102 -1.2    0  0.0    0  0.0    0  0.0  6 22
  107 A 118    VAL V   S h <     TS-    0    0 -101.4  131.2 -179.1 -143.0  79.9 147.7  103 -0.7    0  0.0    0  0.0    0  0.0  6 25
  108 A 119    ASP D               +    0    0  -93.6  134.4  180.0  167.5  25.8 137.8    0  0.0    0  0.0    0  0.0    0  0.0  6 23
  109 A 120    SER S               -    0    0 -146.0  150.1  179.8 -120.9  43.8 172.0    0  0.0    0  0.0    0  0.0    0  0.0  5 27
  110 A 121    PRO P   S S        S+    0    0  -53.3  -52.0 -179.4   79.1  90.7  20.8    0  0.0    0  0.0    0  0.0    0  0.0  4 24
  111 A 122    ARG R   S S        S-    0    0  -56.8  162.6  179.8  -93.4  92.1  88.7    0  0.0    0  0.0    0  0.0    0  0.0 10 33
  112 A 123    ARG R     e         -    0    0  -85.5  134.2  179.1 -173.2  30.3 130.5    0  0.0   87 -3.2    0  0.0    0  0.0  9 41
  113 A 124    LYS K   E E  Ac     +   87    0 -125.5   82.3 -178.0  172.1  18.8 139.7    0  0.0    0  0.0    0  0.0    0  0.0 12 51
  114 A 125    GLU E   E E  Ac     -   88    0 -102.7  132.0  177.0 -177.8  13.9 144.5   87 -3.0   89 -4.0    0  0.0    0  0.0  8 51
  115 A 126    VAL V   E E  Ac     -   89    0 -123.4  130.7 -178.8 -176.6  11.9 170.4    0  0.0    0  0.0    0  0.0    0  0.0 11 46
  116 A 127    ARG R   E E  Ac     -   90    0 -128.6  154.7  175.6 -131.1  36.8 155.8   89 -3.2   91 -1.4    0  0.0  118 -1.2  9 43
  117 A 128    ILE I   E E  Ac    S+   91    0  -98.0   73.0 -178.3  124.1  70.4 131.1    0  0.0    0  0.0    0  0.0    0  0.0 10 42
  118 A 129    GLN Q     e         -    0    0 -139.3  130.5  179.9 -127.9  57.9 174.5  116 -1.2    0  0.0   91 -0.5    0  0.0  9 42
  119 A 130    GLY G     g     > T -    0    0  -75.4  155.4  179.6 -117.8  24.7 111.1    0  0.0  122 -1.8    0  0.0    0  0.0 10 52
  120 A 131    TRP W   G G     > TS+    0    0  -60.2  -27.1 -179.1   68.2 113.8  36.7    0  0.0  123 -0.9    0  0.0    0  0.0  9 59
  121 A 132    GLU E   G G     3 TS+    0    0  -65.0  -20.6 -178.4   39.9 105.7  45.0    0  0.0    0  0.0    0  0.0    0  0.0  9 50
  122 A 133    GLU E   G G     < TS+    0    0 -109.7   -0.7 -179.0  116.7  85.3  67.0  119 -1.8    0  0.0    0  0.0    0  0.0  7 36
  123 A 134    PHE F     g     < T +    0    0  -74.1  136.6 -177.9  166.1  28.9 121.9  120 -0.9    0  0.0    0  0.0    0  0.0  7 43
  124 A 135    ASP D               +    0    0 -142.7   37.7 -179.3  109.6  31.3  91.9    0  0.0    0  0.0    0  0.0    0  0.0  5 33
  125 A 136    GLU E               -    0    0 -119.3  154.7  179.7 -106.9  67.0 146.6    0  0.0    0  0.0    0  0.0    0  0.0  5 35
  126 A 137    PRO P               +    0    0  -78.2  129.4 -179.9  172.9  43.6 129.0    0  0.0    0  0.0    0  0.0    0  0.0  6 33
  127 A 138    VAL V               -    0    0 -136.6  154.5 -178.7 -140.7  32.7 161.9  161 -2.7    0  0.0    0  0.0    0  0.0 12 44
  128 A 139    ASP D   S e        S+    0    0  -81.1  -51.8 -179.2   11.5  81.9  20.7   64 -1.6  167 -0.7    0  0.0    0  0.0 12 48
  129 A 140    ARG R   E E  Abd    -   65  167 -131.0  154.0 -179.3 -149.8  64.3 159.2   64 -1.5   66 -2.2    0  0.0    0  0.0 14 57
  130 A 141    ILE I   E E  Abd    -   66  168 -127.3  141.8  177.9 -177.3  10.0 162.9  167 -2.2  169 -2.5    0  0.0    0  0.0 13 71
  131 A 142    VAL V   E E  Abd    +   67  169 -138.2  134.3  179.0  174.9   3.6 178.1   66 -2.8   68 -2.2    0  0.0    0  0.0 14 66
  132 A 143    SER S   E E  A d    -    0  170 -142.3  115.8 -179.3 -176.4   4.3 158.6  169 -2.2  171 -2.8    0  0.0  134 -0.6 14 67
  133 A 144    LEU L   E E  A d   S-    0  171 -118.5  111.7  178.0  -21.6  71.6 159.3    0  0.0    0  0.0    0  0.0    0  0.0 12 67
  134 A 145    GLY G   S e        S+    0    0   66.8   27.6  179.1   95.9 109.4  40.4  171 -2.3    0  0.0  132 -0.6    0  0.0 12 65
  135 A 146    ALA A     g >   > T +    0    0 -114.9  -26.2 -179.0   79.0  61.6  51.3    0  0.0  138 -2.2    0  0.0  139 -0.6 10 65
  136 A 147    PHE F   G G 4   > TS+    0    0  -53.1  -34.7 -179.2   71.2  78.8  38.0    0  0.0  139 -1.2    0  0.0    0  0.0 11 68
  137 A 148    GLU E   G G 4   3 TS+    0    0  -61.6  -11.8  178.4   46.3 101.7  51.5    0  0.0  208 -2.6    0  0.0    0  0.0 12 60
  138 A 149    HIS H   G G 4   X TS+    0    0 -101.5  -18.2 -176.6   85.8  90.2  51.6  135 -2.2  141 -2.0    0  0.0    0  0.0 11 60
  139 A 150    PHE F   T g <   < TS+    0    0  -60.9  -20.4  178.4   58.1  81.5  50.3  136 -1.2    0  0.0  135 -0.6    0  0.0 10 63
  140 A 151    ALA A   T T     3 TS+    0    0  -89.8    4.4  178.1   81.3  98.6  69.3    0  0.0  147 -2.9    0  0.0    0  0.0 14 48
  141 A 152    ASP D     t     < T +    0    0 -109.0  149.2  180.0  164.2  57.3 146.4  138 -2.0    0  0.0    0  0.0    0  0.0 14 44
  142 A 153    GLY G               -    0    0 -157.3  163.6  179.5  -84.8  52.2 170.0    0  0.0  144 -2.5    0  0.0    0  0.0 13 42
  143 A 154    ALA A   S S        S-    0    0  -73.2   76.6  179.5  -30.1 114.6 117.8    3 -2.3    0  0.0    0  0.0    0  0.0  9 31
  144 A 155    GLY G   S S        S+    0    0   98.9  -14.7 -180.0   78.7 133.7  76.7  142 -2.5    0  0.0    0  0.0    0  0.0  5 25
  145 A 156    ASP D               +    0    0 -120.0   40.2  179.3  153.0  58.8  98.9    0  0.0    0  0.0    0  0.0    0  0.0  8 29
  146 A 157    ALA A               +    0    0  -64.7  158.4 -179.8  110.5  17.2 103.5    0  0.0    0  0.0    0  0.0    0  0.0  9 34
  147 A 158    GLY G   S t     > TS-    0    0  140.9  139.5 -179.4 -102.8  74.6 110.6  140 -2.9  150 -2.4    0  0.0    0  0.0  8 33
  148 A 159    PHE F   T T     > TS+    0    0  -54.6  -29.5  178.9   83.2 108.2  37.6    0  0.0  151 -3.1    0  0.0    0  0.0  8 41
  149 A 160    GLU E   T h >   > TS+    0    0  -45.3  -25.7 -179.9   74.9  76.4  40.7    0  0.0  152 -1.2    0  0.0  153 -0.7  7 38
  150 A 161    ARG R   H H >   < TS+    0    0  -59.9  -32.2 -179.4   69.4  78.9  36.8  147 -2.4  154 -2.0    0  0.0    0  0.0 10 44
  151 A 162    TYR Y   H H >   < TS+    0    0  -56.7  -32.3 -178.6   61.6  92.2  34.3  148 -3.1  155 -2.4    0  0.0    0  0.0 12 51
  152 A 163    ASP D   H H >   < TS+    0    0  -62.3  -45.7  178.7   43.6 105.0  22.4  149 -1.2  156 -1.1    0  0.0    0  0.0 12 37
  153 A 164    THR T   H H X     TS+    0    0  -64.4  -40.3 -179.5   57.5 112.8  26.7  149 -0.7  157 -2.9    0  0.0    0  0.0  8 41
  154 A 165    PHE F   H H X     TS+    0    0  -55.7  -57.6 -178.6   39.8 108.7  20.1  150 -2.0  158 -2.0    0  0.0    0  0.0 10 58
  155 A 166    PHE F   H H <     TS+    0    0  -70.4  -19.5  179.2   48.6 118.9  45.9  151 -2.4    0  0.0    0  0.0    0  0.0 12 54
  156 A 167    LYS K   H H X   > TS+    0    0  -82.1  -51.9  179.0   52.3 108.8  22.9  152 -1.1  160 -2.3    0  0.0  159 -0.9 10 44
  157 A 168    LYS K   H H X   3 TS+    0    0  -47.5  -55.8 -177.9   38.9 116.3  21.3  153 -2.9  161 -1.0    0  0.0    0  0.0  8 42
  158 A 169    PHE F   H H <   3 TS+    0    0  -79.1   -7.2  176.1   61.9 108.3  54.9  154 -2.0    0  0.0    0  0.0    0  0.0  8 53
  159 A 170    TYR Y   H H 4   X TS+    0    0  -78.8  -39.9 -180.0   42.6 110.2  28.6  156 -0.9  162 -0.8    0  0.0    0  0.0 11 45
  160 A 171    ASN N   H H <   3 TS+    0    0  -77.5  -20.7  179.9   59.0 108.6  46.2  156 -2.3    0  0.0    0  0.0    0  0.0  7 37
  161 A 172    LEU L   T h <   3 TS+    0    0  -90.0    4.9 -179.9   69.1 100.5  65.8  157 -1.0  127 -2.7    0  0.0    0  0.0 10 40
  162 A 173    THR T   S t     < TS-    0    0 -125.3  155.2  180.0 -104.5  82.7 153.4  159 -0.8    0  0.0    0  0.0    0  0.0 13 40
  163 A 174    PRO P     t     > T -    0    0  -64.0  174.1  179.3  -93.7  43.1  87.9    0  0.0  166 -1.9    0  0.0    0  0.0  8 32
  164 A 175    ASP D   T T     3 TS+    0    0  -62.1  -29.8  178.8   49.6 132.1  37.3    0  0.0    0  0.0    0  0.0    0  0.0  5 26
  165 A 176    ASP D   T T     3 TS+    0    0  -97.4   30.2 -179.2  150.6  89.7  92.7    0  0.0    0  0.0    0  0.0    0  0.0  7 33
  166 A 177    GLY G     e     < T -    0    0  -67.3  141.5  179.1 -172.5  23.9 110.8  163 -1.9  291 -0.7    0  0.0    0  0.0 11 44
  167 A 178    ARG R   E E  AdE    -  129  290 -137.9  143.4  178.7 -168.2  10.6 174.2  128 -0.7  130 -2.2    0  0.0    0  0.0 13 53
  168 A 179    MET M   E E  AdE    -  130  289 -132.6  127.6  177.7 -154.6  10.9 172.7  289 -2.4  289 -2.9    0  0.0  170 -0.9 13 67
  169 A 180    LEU L   E E  AdE    -  131  288 -102.4  105.7 -179.9 -167.9  16.4 150.6  130 -2.5  132 -2.2    0  0.0  171 -0.7 15 63
  170 A 181    LEU L   E E  AdE    -  132  287  -98.1  113.7 -179.5 -177.9   6.3 147.9  287 -2.7  287 -3.0  168 -0.9  172 -0.6 13 71
  171 A 182    HIS H   E E  AdE    +  133  286 -113.3  114.4 -178.9  143.4  21.3 161.5  132 -2.8  134 -2.3  169 -0.7    0  0.0 13 68
  172 A 183    THR T   E E  A E    -    0  285 -149.2  161.1  177.1 -104.7  50.7 168.2  285 -2.0  285 -2.5  170 -0.6    0  0.0 12 61
  173 A 184    ILE I   E E  A E    -    0  284  -79.9  154.3  179.7 -165.6  43.9 121.9    0  0.0    0  0.0    0  0.0    0  0.0 13 56
  174 A 185    THR T   E E  A E    -    0  283 -144.1  158.3  177.2 -136.6  18.0 166.7  283 -2.7  283 -2.3    0  0.0    0  0.0 12 52
  175 A 186    ILE I               -    0    0 -113.7  149.9 -179.4  -87.1  42.2 151.2  210 -1.9    0  0.0    0  0.0    0  0.0 11 48
  176 A 187    PRO P               -    0    0  -52.9  144.0  177.8 -109.3  42.7  96.1    0  0.0    0  0.0    0  0.0    0  0.0 12 39
  177 A 188    ASP D     h >     T -    0    0  -74.5  150.5 -179.9  -96.4  40.7 117.8    0  0.0  181 -1.9    0  0.0    0  0.0  9 29
  178 A 189    LYS K   H H >     TS+    0    0  -32.0  -45.5 -180.0   34.7 125.7  38.2    0  0.0  182 -0.7    0  0.0    0  0.0  6 22
  179 A 190    GLU E   H H >   > TS+    0    0  -77.0  -66.4 -179.9   54.3 112.2  11.3    0  0.0  183 -1.6    0  0.0  182 -1.6  7 18
  180 A 191    GLU E   H H >   3 TS+    0    0  -44.9  -17.5 -179.9   59.5 106.5  50.9    0  0.0  184 -0.7    0  0.0    0  0.0  8 24
  181 A 192    ALA A   H H X   3>TS+    0    0  -81.9  -42.0 -179.6   46.9 103.2  29.2  177 -1.9  186 -1.6    0  0.0  185 -0.7 10 25
  182 A 193    GLN Q   H H <   <5TS+    0    0  -71.0  -30.6  179.4   54.9 109.4  36.1  179 -1.6    0  0.0  178 -0.7    0  0.0  8 17
  183 A 194    GLU E   H H <    5TS+    0    0  -71.2  -32.8  178.7   51.2 106.7  31.9  179 -1.6    0  0.0    0  0.0    0  0.0  7 16
  184 A 195    LEU L   H H <    5TS-    0    0  -74.5  -19.1 -179.6 -130.8 108.9  46.0  180 -0.7    0  0.0    0  0.0    0  0.0  7 21
  185 A 196    GLY G   T h <    5T -    0    0   67.7   48.5 -179.2 -173.3  34.3  19.9  181 -0.7  187 -0.5    0  0.0    0  0.0  6 20
  186 A 197    LEU L     t           T -    0    0  -59.0  163.2  179.6 -106.8  38.8  95.9    0  0.0  193 -1.9    0  0.0    0  0.0  6 17
  190 A 201    MET M   H H >     TS+    0    0  -61.7  -32.9 -179.5   57.0 121.9  31.2    0  0.0  194 -2.0    0  0.0    0  0.0  6 13
  191 A 202    SER S   H H >     TS+    0    0  -66.8  -39.2  179.0   51.4 104.0  28.1    0  0.0  195 -2.0    0  0.0    0  0.0  7 21
  192 A 203    LEU L   H H >     TS+    0    0  -63.7  -45.3  179.3   50.1 109.2  21.3    0  0.0  196 -2.3    0  0.0    0  0.0  8 28
  193 A 204    LEU L   H H X     TS+    0    0  -60.1  -39.5  179.2   52.0 109.7  26.7  189 -1.9  197 -2.2    0  0.0    0  0.0  9 22
  194 A 205    ARG R   H H X     TS+    0    0  -64.0  -40.3  180.0   50.0 109.2  25.4  190 -2.0  198 -2.4    0  0.0    0  0.0  8 22
  195 A 206    PHE F   H H X     TS+    0    0  -64.2  -46.9  178.8   49.4 109.4  22.7  191 -2.0  199 -2.8    0  0.0    0  0.0  9 35
  196 A 207    ILE I   H H X     TS+    0    0  -57.3  -46.2  178.8   51.4 110.9  21.2  192 -2.3  200 -2.9    0  0.0    0  0.0  8 37
  197 A 208    LYS K   H H X     TS+    0    0  -54.6  -48.5  179.1   49.9 110.2  19.6  193 -2.2  201 -1.1    0  0.0    0  0.0  8 25
  198 A 209    PHE F   H H X    >TS+    0    0  -57.3  -43.5  180.0   47.9 111.9  27.1  194 -2.4  202 -2.8    0  0.0  203 -0.7  9 31
  199 A 210    ILE I   H H X    >TS+    0    0  -66.4  -45.4 -178.9   47.9 111.5  22.8  195 -2.8  204 -2.7    0  0.0  203 -1.3 11 39
  200 A 211    LEU L   H H <    5TS+    0    0  -72.8  -11.3 -180.0   39.1 120.8  51.9  196 -2.9    0  0.0    0  0.0    0  0.0 11 33
  201 A 212    THR T   H H <    5TS+    0    0 -103.9  -45.9 -177.7   19.0 130.2  33.0  197 -1.1    0  0.0    0  0.0    0  0.0  8 26
  202 A 213    GLU E   H H <    5TS+    0    0 -100.3  -24.8 -176.6   27.4 131.8  45.2  198 -2.8    0  0.0    0  0.0    0  0.0  8 34
  203 A 214    ILE I   T h <       > T -    0    0  -98.1  161.0  179.7 -112.9  29.8 131.7    0  0.0  215 -1.6    0  0.0  214 -0.5 10 42
  212 A 223    ILE I   H H >   3 TS+    0    0  -63.2  -39.0  179.4   58.4 118.6  21.8    0  0.0  216 -2.3    0  0.0    0  0.0 10 46
  213 A 224    SER S   H H >   3 TS+    0    0  -58.8  -29.4  178.7   53.8 103.4  36.0    0  0.0  217 -2.3    0  0.0    0  0.0  7 36
  214 A 225    GLN Q   H H >   < TS+    0    0  -71.4  -44.4  179.3   48.6 107.5  21.1  211 -0.5  218 -2.1    0  0.0    0  0.0  8 44
  215 A 226    VAL V   H H X     TS+    0    0  -61.9  -37.7  179.5   49.6 113.4  27.5  211 -1.6  219 -1.9    0  0.0    0  0.0 10 58
  216 A 227    ASP D   H H X     TS+    0    0  -64.9  -52.6 -179.4   47.8 111.1  16.1  212 -2.3  220 -2.7    0  0.0    0  0.0  9 45
  217 A 228    TYR Y   H H X     TS+    0    0  -52.8  -61.8 -178.9   36.0 119.2  16.4  213 -2.3  221 -2.5    0  0.0    0  0.0  8 28
  218 A 229    TYR Y   H H X     TS+    0    0  -65.3  -35.8 -179.4   47.5 119.8  34.0  214 -2.1  222 -0.6    0  0.0    0  0.0 11 37
  219 A 230    SER S   H H <   >>TS+    0    0  -73.6  -41.9  179.5   44.4 115.9  22.7  215 -1.9  224 -2.3    0  0.0  222 -0.7 14 49
  220 A 231    SER S   H H <   >5TS+    0    0  -67.0  -41.3  179.8   65.3 103.0  25.4  216 -2.7  223 -1.8    0  0.0    0  0.0  9 36
  221 A 232    ASN N   H H <   35TS+    0    0  -52.1  -26.3  179.8   46.9 104.8  37.2  217 -2.5    0  0.0    0  0.0    0  0.0  8 29
  222 A 233    ALA A   T h <   <5TS-    0    0  -89.9  -15.4  179.8  -96.3 130.8  51.2  219 -0.7    0  0.0  218 -0.6    0  0.0 10 33
  223 A 234    GLY G   T T     <5TS+    0    0  115.4    1.3  179.6  139.5  76.9  64.6  220 -1.8    0  0.0    0  0.0    0  0.0  8 34
  224 A 235    TRP W     t       T +    0    0 -145.7   25.5 -178.9  129.3  21.7  85.1  284 -3.0  235 -1.8    0  0.0    0  0.0 11 51
  233 A 244    GLY G   G T     > T +    0    0  -56.6  -30.8 -179.9   70.7  64.7  40.4  284 -0.8  236 -2.1    0  0.0    0  0.0 13 49
  234 A 245    ALA A   G T     > TS+    0    0  -58.0  -26.5  179.9   67.2  88.3  39.0    0  0.0  237 -1.3    0  0.0    0  0.0  9 41
  235 A 246    ASN N   G h >   < TS+    0    0  -66.3  -20.6 -177.5   72.8  84.4  46.3  232 -1.8  239 -1.6    0  0.0    0  0.0 11 54
  236 A 247    TYR Y   H H >   < TS+    0    0  -71.0  -17.6 -179.7   65.9  84.8  48.3  233 -2.1  240 -2.8    0  0.0    0  0.0 14 58
  237 A 248    VAL V   H H >   < TS+    0    0  -70.1  -51.6  179.5   40.5 105.1  16.6  234 -1.3  241 -2.1    0  0.0    0  0.0 12 42
  238 A 249    PRO P   H H >     TS+    0    0  -60.9  -43.6  179.6   51.6 118.0  20.1    0  0.0  242 -3.0    0  0.0    0  0.0  8 48
  239 A 250    THR T   H H X     TS+    0    0  -55.2  -63.7 -179.3   41.2 112.8  12.8  235 -1.6  243 -2.7    0  0.0    0  0.0 11 57
  240 A 251    LEU L   H H X     TS+    0    0  -58.1  -30.1  179.7   52.1 116.1  35.8  236 -2.8  244 -2.3    0  0.0    0  0.0 12 53
  241 A 252    ASN N   H H X     TS+    0    0  -72.9  -42.1  178.3   49.8 108.3  24.2  237 -2.1  245 -2.9    0  0.0    0  0.0 11 43
  242 A 253    ALA A   H H X     TS+    0    0  -60.6  -45.0 -179.4   48.3 112.9  20.1  238 -3.0  246 -2.8    0  0.0    0  0.0  9 50
  243 A 254    TRP W   H H X     TS+    0    0  -62.4  -46.9 -179.5   46.0 113.0  20.6  239 -2.7  247 -1.9    0  0.0    0  0.0 11 50
  244 A 255    ALA A   H H X     TS+    0    0  -63.5  -41.7  179.2   48.8 114.3  24.9  240 -2.3  248 -2.1    0  0.0    0  0.0 12 42
  245 A 256    ASP D   H H X     TS+    0    0  -62.0  -51.2  179.6   50.9 109.5  16.0  241 -2.9  249 -2.9    0  0.0    0  0.0  9 37
  246 A 257    ALA A   H H X     TS+    0    0  -54.3  -36.5  179.5   50.4 111.1  31.4  242 -2.8  250 -2.0    0  0.0    0  0.0 11 39
  247 A 258    LEU L   H H <     TS+    0    0  -70.3  -38.4  179.2   50.1 108.7  28.3  243 -1.9    0  0.0    0  0.0    0  0.0 12 44
  248 A 259    GLN Q   H H <   > TS+    0    0  -63.0  -43.9  179.8   55.3 108.8  21.6  244 -2.1  251 -1.6    0  0.0    0  0.0  8 36
  249 A 260    ALA A   H H <   3 TS+    0    0  -53.5  -53.9 -179.1   33.6 116.5  21.2  245 -2.9    0  0.0    0  0.0    0  0.0  6 27
  250 A 261    HIS H   T h X   3 TS+    0    0  -93.6   25.2 -178.8  127.7  81.9  85.7  246 -2.0  254 -3.1    0  0.0    0  0.0 10 31
  251 A 262    LYS K   H H >   < TS+    0    0  -47.1  -50.0 -179.6   48.0  73.0  28.4  248 -1.6  255 -3.1    0  0.0    0  0.0  9 34
  252 A 263    ASP D   H H >     TS+    0    0  -60.0  -44.3  179.7   46.9 113.9  24.5    0  0.0  256 -1.4    0  0.0    0  0.0  6 26
  253 A 264    GLU E   H H >     TS+    0    0  -63.1  -46.3 -179.8   46.2 115.3  22.3    0  0.0  257 -1.9    0  0.0    0  0.0  7 27
  254 A 265    ALA A   H H X    >TS+    0    0  -65.6  -40.4  179.3   54.4 108.2  29.0  250 -3.1  258 -2.2    0  0.0  259 -0.6 13 34
  255 A 266    ILE I   H H X    5TS+    0    0  -63.1  -29.2  178.9   56.1 106.9  33.5  251 -3.1  259 -1.2    0  0.0    0  0.0 11 29
  256 A 267    ALA A   H H <    5TS+    0    0  -63.2  -61.3 -180.0   37.3 113.3   8.3  252 -1.4    0  0.0    0  0.0    0  0.0  7 25
  257 A 268    LEU L   H H <    5TS+    0    0  -54.6  -66.1 -176.2   11.8 136.9  15.1  253 -1.9    0  0.0    0  0.0    0  0.0  7 26
  258 A 269    LYS K   H H X    5TS-    0    0 -101.2   -0.5  179.6 -115.2 104.3  64.9  254 -2.2  262 -0.5    0  0.0    0  0.0  9 32
  259 A 270    GLY G   H H X         TS+    0    0  -76.0  -47.4 -178.9   51.2 124.2  24.8    0  0.0  264 -1.7    0  0.0    0  0.0  7 21
  261 A 272    GLU E   H H >   > TS+    0    0  -57.0  -59.1 -179.4   52.2 106.4  15.2    0  0.0  265 -2.9    0  0.0  264 -0.8  6 25
  262 A 273    THR T   H H X   3 TS+    0    0  -48.7  -36.9 -179.9   49.8 111.2  33.6  258 -0.5  266 -2.2    0  0.0    0  0.0  9 40
  263 A 274    CYS C   H H X   3 TS+    0    0  -74.4  -32.7  178.9   48.5 109.9  32.8  259 -0.7  267 -1.9    0  0.0    0  0.0 12 40
  264 A 275    ASP D   H H X   < TS+    0    0  -70.3  -43.4  179.2   51.5 111.7  21.7  260 -1.7  268 -2.4  261 -0.8    0  0.0  8 36
  265 A 276    ILE I   H H X     TS+    0    0  -55.9  -51.5 -178.9   45.4 112.3  20.2  261 -2.9  269 -2.2    0  0.0    0  0.0  9 38
  266 A 277    TYR Y   H H X     TS+    0    0  -65.5  -36.4  178.7   50.1 111.5  33.6  262 -2.2  270 -2.9    0  0.0    0  0.0  8 52
  267 A 278    MET M   H H X     TS+    0    0  -66.2  -45.7  179.5   49.7 112.0  18.8  263 -1.9  271 -3.0    0  0.0    0  0.0 11 43
  268 A 279    HIS H   H H X     TS+    0    0  -56.3  -44.7 -180.0   45.8 114.0  25.0  264 -2.4  272 -2.5    0  0.0    0  0.0  8 39
  269 A 280    TYR Y   H H X     TS+    0    0  -67.1  -46.7 -179.8   46.0 114.4  22.4  265 -2.2  273 -2.1    0  0.0    0  0.0 10 46
  270 A 281    LEU L   H H X     TS+    0    0  -64.3  -43.3  179.7   43.4 117.7  25.1  266 -2.9  274 -1.1    0  0.0    0  0.0 12 47
  271 A 282    ARG R   H H X     TS+    0    0  -66.9  -50.5 -179.5   49.7 114.1  18.8  267 -3.0  275 -1.2    0  0.0    0  0.0 11 37
  272 A 283    GLY G   H H X     TS+    0    0  -57.6  -43.9 -179.4   52.0 108.4  27.6  268 -2.5  276 -0.9    0  0.0    0  0.0  9 44
  273 A 284    CYS C   H H X     TS+    0    0  -65.0  -32.1 -179.6   64.4  99.5  34.8  269 -2.1  277 -1.3    0  0.0    0  0.0  9 53
  274 A 285    SER S   H H X   > TS+    0    0  -56.2  -50.5  179.8   49.7 101.2  20.5  270 -1.1  278 -1.8    0  0.0  277 -0.6 13 40
  275 A 286    ASP D   H H X   3 TS+    0    0  -60.6  -28.6  180.0   64.2 101.6  39.1  271 -1.2  279 -3.2    0  0.0    0  0.0  9 40
  276 A 287    LEU L   H H <   3>TS+    0    0  -63.4  -41.6 -179.9   39.1 108.8  22.3  272 -0.9  281 -2.1    0  0.0  282 -1.3 10 47
  277 A 288    PHE F   H H <   X5TS+    0    0  -77.7  -29.9  178.6   51.3 116.1  37.7  273 -1.3  280 -0.6  274 -0.6    0  0.0 14 43
  278 A 289    ARG R   H H <   35TS+    0    0  -69.4  -46.6 -178.4   47.8 111.9  18.6  274 -1.8    0  0.0    0  0.0    0  0.0 10 34
  279 A 290    ASP D   T h <   35TS-    0    0  -78.0    9.3  178.1 -118.8 113.1  73.0  275 -3.2    0  0.0    0  0.0    0  0.0  7 35
  280 A 291    LYS K   T T     <5TS+    0    0   64.3   14.6  178.6  125.7  78.8  51.3  277 -0.6    0  0.0    0  0.0    0  0.0  8 39
  281 A 292    TYR Y   S t      33X33<   >>3<< >33<        >33<            >>><<< >33<      >33X33<                          3-turns  
  bridge-2                                                                  bbb                   ccccc           bridge-2 
  bridge-1                                                                 aaaaa                 aaaaa            bridge-1 
    sheets                                                                 AAAAA                 AAAAAA           sheets   
   4-turns      >>>4XX<4<< >>>>X<<<<                >>>>XXXXXXXX<<<<                >>>>XXXX<<<<        >>>>XXXX  4-turns  
   summary      hHHHHHHHHhthHHHHHHHhtTTt  S    StTTthHHHHHHHHHHHHHHhTt tTTeEEEEEetTThHHHHHHHHHHh EEEEEEShHHHHHHH  summary  
  sequence  QLKPPVEAVRSHYDKSNEFFKLWLDPSMTYSCAYFERPDMTLEEAQYAKRKLALDKLNLEPGMTLLDIGCGWGSTMRHAVAEYDVNVIGLTLSENQYAHD  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                                                        author   
 Kabs/Sand  HHHHHHS  SS EEEEE  GGG     SEEEEES GGGTT  SS  STTHHHHHHHHHHHTS TT EEEEEEEE   HHHHHHHT    HHHHHHHHHHH  Kabs/Sand
 chirality  ++++++-+-+--+---+--+++++-+-+--+--++++++++--+++-++++++++++++++--++-----+------++++++------+++++++++++  chirality
     bends  SSSSSSS  SS     S  SSS     S    SS SSSSS  SS  SSSSSSSSSSSSSSSS SS            SSSSSSS     SSSSSSSSSSS  bends    
     turns  TTTTTTT           TTTTT           TTTTTTT     TTTTTTTTTTTTTTTTTTTT          TTTTTTTTTT  TTTTTTTTTTTT  turns    
   5-turns                                                                                  >5555<           >>5  5-turns  
   3-turns                    >>3<<           >>3X<3<     >>><<<   >33X33<>33<            >33<                    3-turns  
  bridge-2                              ddddd                                 EEEEEEEE                            bridge-2 
  bridge-1              ccccc           bbb                                   ddddd                               bridge-1 
    sheets              AAAAA           AAAAA                                 AAAAAAAA                            sheets   
   4-turns  XXX<<<<                           >444<         >>>>XX>>>X<<<<   >>>>XXXXXXX<  4-turns  
   summary  HHHHHHh  SSeEEEEEegGGGg    eEEEEEegGGGgTt SS  tThHHHHHHHHHHHhttTTeEEEEEEEE  hHHHHHHHht  hHHHHHHHHHHH  summary  
  sequence  KAMFDEVDSPRRKEVRIQGWEEFDEPVDRIVSLGAFEHFADGAGDAGFERYDTFFKKFYNLTPDDGRMLLHTITIPDKEEAQELGLTSPMSLLRFIKFIL  sequence 
                   110       120       130       140       150       160       170       180       190       200
 
    author                                                                                               author   
 Kabs/Sand  HHT TT     HHHHHHHHHHTT EEEEEEE GGGHHHHHHHHHHHHHHTHHHHHHHHHHHHHHHHHHHHHHHHHHHHTTSSEEEEEEEE   Kabs/Sand
 chirality  +++-++-----++++++++++-+---+---+++++++++++++++++++++++++++--+++++++++++++++++++-++-------+    chirality
     bends  SSS SS     SSSSSSSSSSSS   S      SSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSS           bends    
     turns  TTTTTTT   TTTTTTTTTTTTTT       TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT            turns    
   5-turns  55<<              >5555<                             >5555<                >5555<            5-turns  
   3-turns     >33<   >33<    >>3<<        >>><<<          >33<         >33<         >33X33<             3-turns  
  bridge-2                                                                                      FFFFFF   bridge-2 
  bridge-1                          FF*FFFF                                                   EEEEEEEE   bridge-1 
    sheets                          AAAAAAA                                                   AAAAAAAA   sheets   
   4-turns  <<<       >>>>XXXX<<<<            >>>>XXXXXXXX<<>>XX<>XXXXXXXXXXXXXX<<<<              4-turns  
   summary  HHhtTTt   hHHHHHHHHHHhTtEEEEEEEeTThHHHHHHHHHHHHHHhHHHHHHHHHHHHHHHHHHHHHHHHHHHHhTtSEEEEEEEEe  summary  
  sequence  TEIFPGGRLPRISQVDYYSSNAGWKVERYHRIGANYVPTLNAWADALQAHKDEAIALKGQETCDIYMHYLRGCSDLFRDKYTDVCQFTLVK  sequence 
                   210       220       230       240       250       260       270       280       290