==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-JAN-12 4DA5 . COMPND 2 MOLECULE: CHOLINE KINASE ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.BROWN,C.HUDSON,P.CHARLTON,J.POLLARD . 682 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 70.8 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 . 78 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 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 . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 2 2 0 4 2 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 2 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 3 4 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 2 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 1 81 A E 0 0 178 0, 0.0 34,-1.8 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 124.5 -20.2 -17.1 28.0 2 82 A Q - 0 0 122 32,-0.2 32,-0.1 1,-0.1 0, 0.0 -0.838 360.0-122.0-103.4 139.8 -18.3 -15.3 30.8 3 83 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 -0.034 42.1 -77.2 -70.7-178.6 -14.6 -14.2 30.5 4 84 A E >> - 0 0 99 1,-0.1 4,-2.1 4,-0.0 3,-0.8 -0.518 46.2-109.4 -77.6 147.3 -11.8 -15.2 32.9 5 85 A P H 3> S+ 0 0 82 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.809 119.5 52.5 -48.1 -36.0 -11.8 -13.4 36.3 6 86 A R H 3> S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.886 111.6 46.5 -65.0 -41.6 -8.6 -11.4 35.4 7 87 A T H <> S+ 0 0 6 -3,-0.8 4,-3.1 1,-0.2 5,-0.2 0.940 109.5 53.1 -65.9 -50.5 -10.2 -10.2 32.1 8 88 A R H X S+ 0 0 45 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.798 111.2 47.5 -52.6 -39.0 -13.5 -9.2 33.8 9 89 A R H X S+ 0 0 145 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.886 114.6 44.4 -73.5 -42.1 -11.6 -7.0 36.3 10 90 A R H X S+ 0 0 78 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 114.4 50.4 -67.7 -43.6 -9.4 -5.3 33.6 11 91 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.906 109.5 51.2 -59.5 -47.6 -12.5 -4.8 31.4 12 92 A Y H X S+ 0 0 31 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.896 111.3 47.9 -57.8 -45.3 -14.4 -3.3 34.4 13 93 A L H X S+ 0 0 87 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.920 110.8 50.2 -64.0 -45.0 -11.5 -0.8 35.1 14 94 A W H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.899 113.0 47.4 -59.4 -44.4 -11.2 0.2 31.4 15 95 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.923 113.5 45.2 -64.9 -48.5 -15.0 0.9 31.2 16 96 A K H < S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 120.7 42.3 -66.7 -27.2 -15.3 2.9 34.5 17 97 A E H < S+ 0 0 33 -4,-1.9 457,-3.2 -5,-0.2 458,-0.4 0.765 124.7 30.4 -88.7 -32.9 -12.1 4.9 33.5 18 98 A F H < S+ 0 0 13 -4,-2.3 -3,-0.2 455,-0.2 -2,-0.2 0.724 108.9 73.2 -98.8 -28.7 -12.7 5.6 29.8 19 99 A L S < S- 0 0 0 -4,-2.0 455,-0.1 -5,-0.4 75,-0.0 -0.728 71.3-145.9 -94.4 132.6 -16.5 5.7 29.8 20 100 A P > + 0 0 43 0, 0.0 3,-1.3 0, 0.0 2,-0.2 -0.151 56.2 22.6 -84.7-174.0 -18.4 8.8 31.2 21 101 A G G > S+ 0 0 25 1,-0.2 3,-1.1 2,-0.2 4,-0.5 -0.394 126.8 5.8 67.0-131.4 -21.7 9.1 33.1 22 102 A A G 3 S+ 0 0 13 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.674 126.3 65.7 -59.4 -21.9 -23.2 6.1 34.9 23 103 A W G X S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.854 88.7 65.6 -67.6 -39.3 -20.0 4.2 34.1 24 104 A R T < S+ 0 0 70 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.751 111.0 34.5 -56.7 -32.5 -17.8 6.4 36.3 25 105 A G T 3 S+ 0 0 65 -4,-0.5 -1,-0.3 -3,-0.3 2,-0.3 -0.094 87.8 131.5-116.1 32.3 -19.5 5.3 39.5 26 106 A L < - 0 0 4 -3,-1.5 2,-0.2 -14,-0.1 -3,-0.1 -0.639 50.7-131.1 -87.4 142.9 -20.2 1.6 38.6 27 107 A R >> - 0 0 134 -2,-0.3 3,-1.5 1,-0.1 4,-0.7 -0.587 19.6-119.3 -89.5 154.4 -19.4 -1.3 41.1 28 108 A E G >4 S+ 0 0 73 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.880 117.8 56.0 -60.2 -36.6 -17.5 -4.4 39.9 29 109 A D G 34 S+ 0 0 103 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.587 105.8 51.6 -69.7 -14.3 -20.6 -6.4 41.1 30 110 A E G <4 S+ 0 0 42 -3,-1.5 2,-0.3 2,-0.0 -1,-0.2 0.515 85.7 111.2 -98.5 -12.4 -22.8 -4.3 38.7 31 111 A F << - 0 0 5 -3,-0.9 2,-0.5 -4,-0.7 18,-0.1 -0.496 52.0-159.6 -72.8 128.1 -20.6 -4.8 35.6 32 112 A H E +A 48 0A 88 16,-1.6 16,-2.7 -2,-0.3 2,-0.3 -0.945 19.5 162.5-110.6 126.0 -22.0 -7.0 32.8 33 113 A I E +A 47 0A 4 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.987 7.9 172.5-145.9 137.6 -19.6 -8.6 30.4 34 114 A S E -A 46 0A 37 12,-1.7 12,-2.6 -2,-0.3 -32,-0.2 -0.986 36.3-102.7-145.6 147.6 -20.0 -11.5 27.9 35 115 A V E +A 45 0A 34 -34,-1.8 10,-0.3 -2,-0.3 3,-0.1 -0.483 31.6 172.1 -70.2 134.9 -17.8 -12.9 25.1 36 116 A I E S+ 0 0 75 8,-3.3 2,-0.4 1,-0.4 9,-0.2 0.697 78.1 8.2-105.9 -45.4 -18.6 -12.0 21.4 37 117 A R E S-A 44 0A 89 7,-1.5 7,-3.1 2,-0.0 -1,-0.4 -0.986 71.5-166.5-143.1 126.8 -15.5 -13.5 19.8 38 118 A G + 0 0 40 -2,-0.4 2,-0.3 5,-0.2 3,-0.1 0.192 36.0 95.1 -87.8-151.2 -12.9 -15.7 21.5 39 119 A G S S- 0 0 62 1,-0.1 3,-0.1 4,-0.1 4,-0.1 -0.733 82.2 -78.8 103.8-151.2 -9.4 -16.9 20.5 40 120 A L S S+ 0 0 134 -2,-0.3 2,-0.4 1,-0.3 3,-0.3 0.598 111.1 57.6-120.7 -38.2 -5.9 -15.4 21.2 41 121 A S S S- 0 0 75 1,-0.2 -1,-0.3 -3,-0.1 27,-0.2 -0.822 119.1 -4.2 -99.4 136.1 -5.9 -12.5 18.7 42 122 A N S S- 0 0 43 26,-1.0 2,-0.3 -2,-0.4 26,-0.2 0.902 73.0-165.3 43.6 68.2 -8.7 -9.8 18.9 43 123 A M E - B 0 67A 42 24,-2.1 24,-3.0 -3,-0.3 2,-0.4 -0.599 10.3-147.9 -75.5 136.8 -11.0 -11.2 21.7 44 124 A L E +AB 37 66A 5 -7,-3.1 -8,-3.3 -2,-0.3 -7,-1.5 -0.930 18.0 179.2-115.2 136.9 -14.4 -9.3 21.6 45 125 A F E -AB 35 65A 9 20,-2.4 20,-3.1 -2,-0.4 2,-0.6 -0.999 25.0-140.1-136.8 140.0 -16.6 -8.6 24.5 46 126 A Q E -AB 34 64A 45 -12,-2.6 -12,-1.7 -2,-0.3 2,-0.4 -0.880 25.7-168.9 -95.1 120.1 -19.9 -6.8 25.0 47 127 A C E +AB 33 63A 0 16,-2.8 16,-2.3 -2,-0.6 2,-0.3 -0.912 11.8 178.2-109.7 138.0 -19.7 -4.7 28.3 48 128 A S E -AB 32 62A 27 -16,-2.7 -16,-1.6 -2,-0.4 14,-0.2 -0.996 33.6-116.5-149.6 154.3 -22.9 -3.1 29.7 49 129 A L - 0 0 4 12,-2.4 -18,-0.1 -2,-0.3 -26,-0.1 -0.491 54.6 -93.0 -72.0 147.6 -24.6 -1.1 32.5 50 130 A P > - 0 0 9 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.376 33.2-120.0 -60.5 146.9 -27.2 -3.0 34.6 51 131 A D T 3 S+ 0 0 152 1,-0.3 -2,-0.1 -3,-0.1 10,-0.0 0.772 114.5 60.3 -60.7 -23.7 -30.7 -2.6 33.1 52 132 A T T 3 S+ 0 0 139 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.561 87.5 92.7 -77.2 -14.6 -31.8 -1.0 36.5 53 133 A T S < S- 0 0 30 -3,-1.8 2,-0.2 1,-0.0 -4,-0.1 -0.727 70.6-140.6 -88.0 130.6 -29.1 1.8 36.1 54 134 A A - 0 0 72 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.627 17.4-120.1 -86.7 145.5 -30.2 5.1 34.5 55 135 A T - 0 0 57 -2,-0.2 -34,-0.1 1,-0.1 -1,-0.1 -0.505 15.1-156.4 -78.9 152.4 -27.9 6.9 32.1 56 136 A L S S- 0 0 139 -2,-0.2 -1,-0.1 -36,-0.1 -35,-0.1 0.800 70.7 -13.5 -99.8 -38.4 -26.9 10.5 33.1 57 137 A G S S- 0 0 54 -37,-0.1 -2,-0.1 3,-0.0 -35,-0.0 0.031 109.0 -45.6-128.0-124.7 -26.0 12.0 29.7 58 138 A D S S+ 0 0 123 -2,-0.1 -37,-0.0 2,-0.0 -3,-0.0 0.108 84.7 135.1-108.6 19.0 -25.4 10.6 26.2 59 139 A E - 0 0 14 1,-0.1 2,-0.1 2,-0.0 -37,-0.1 -0.328 60.4-102.2 -68.1 145.7 -23.1 7.7 27.4 60 140 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.427 11.6-145.7 -74.4 151.5 -23.7 4.3 25.9 61 141 A R S S+ 0 0 88 1,-0.2 -12,-2.4 -2,-0.1 2,-0.3 0.780 88.6 21.4 -79.1 -33.0 -25.5 1.5 27.7 62 142 A K E -B 48 0A 97 -14,-0.2 42,-0.7 42,-0.1 2,-0.3 -0.969 67.9-177.4-139.8 147.8 -23.3 -1.1 26.0 63 143 A V E -BC 47 103A 0 -16,-2.3 -16,-2.8 -2,-0.3 2,-0.5 -0.937 25.8-119.0-137.7 162.9 -19.9 -1.1 24.4 64 144 A L E -BC 46 102A 16 38,-2.8 38,-2.7 -2,-0.3 2,-0.5 -0.905 20.2-154.8-106.7 133.2 -17.6 -3.5 22.6 65 145 A L E -BC 45 101A 0 -20,-3.1 -20,-2.4 -2,-0.5 2,-0.5 -0.935 5.5-163.0-106.5 127.4 -14.2 -4.2 24.0 66 146 A R E -BC 44 100A 12 34,-2.6 34,-2.0 -2,-0.5 2,-0.6 -0.980 4.5-163.9-111.8 115.6 -11.6 -5.4 21.5 67 147 A L E BC 43 99A 8 -24,-3.0 -24,-2.1 -2,-0.5 32,-0.2 -0.938 360.0 360.0-105.3 117.4 -8.6 -7.0 23.1 68 148 A Y 0 0 68 30,-1.8 -26,-1.0 -2,-0.6 -25,-0.2 0.982 360.0 360.0 -65.2 360.0 -5.5 -7.4 20.9 69 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 70 174 A A > 0 0 148 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.2 5.6 -3.0 14.7 71 175 A E T >> + 0 0 58 1,-0.2 3,-1.1 2,-0.1 4,-0.9 0.036 360.0 111.8 -91.5 25.0 4.1 0.5 14.8 72 176 A A H 3> + 0 0 70 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.586 68.2 70.2 -71.0 -12.0 1.2 -0.6 12.5 73 177 A M H <> S+ 0 0 49 -3,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.754 92.8 55.2 -74.7 -31.1 -0.9 -0.1 15.7 74 178 A V H <> S+ 0 0 26 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.959 112.2 40.5 -66.4 -55.2 -0.3 3.7 15.4 75 179 A L H X S+ 0 0 62 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.855 115.0 52.1 -62.8 -40.1 -1.7 3.9 11.8 76 180 A E H X S+ 0 0 50 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.875 111.9 47.0 -63.6 -41.1 -4.6 1.4 12.6 77 181 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.895 113.8 46.3 -67.3 -47.4 -5.6 3.6 15.6 78 182 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 112.6 52.0 -60.9 -46.8 -5.5 6.9 13.7 79 183 A M H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.927 111.0 46.1 -56.3 -51.9 -7.5 5.2 10.8 80 184 A F H X S+ 0 0 16 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.897 113.6 50.6 -57.6 -44.9 -10.2 4.0 13.3 81 185 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 111.8 46.3 -58.9 -50.3 -10.3 7.5 14.9 82 186 A I H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.930 114.9 46.4 -58.6 -51.6 -10.7 9.3 11.5 83 187 A L H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 6,-1.1 0.870 111.8 51.8 -60.9 -38.0 -13.5 6.9 10.3 84 188 A A H ><5S+ 0 0 4 -4,-2.4 3,-0.9 4,-0.2 -1,-0.2 0.902 111.5 47.9 -63.9 -42.0 -15.2 7.2 13.7 85 189 A E H 3<5S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.862 110.9 49.1 -65.6 -40.9 -15.1 11.1 13.3 86 190 A R T 3<5S- 0 0 75 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.404 115.8-116.2 -81.5 4.0 -16.4 11.0 9.7 87 191 A S T < 5S+ 0 0 84 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.829 86.9 115.0 62.4 37.7 -19.3 8.6 10.9 88 192 A L S -D 99 0A 6 3,-2.0 3,-1.0 -2,-0.4 -2,-0.0 -0.929 57.6 -93.2-150.6 166.1 -5.2 1.8 25.6 97 201 A P T 3 S+ 0 0 69 0, 0.0 -29,-0.1 0, 0.0 3,-0.1 0.856 121.8 49.3 -61.5 -30.7 -2.2 -0.6 24.9 98 202 A Q T 3 S- 0 0 76 1,-0.1 -30,-1.8 -30,-0.1 2,-0.3 0.615 123.9 -65.6 -81.7 -16.1 -4.3 -3.8 25.4 99 203 A G E < -CD 67 96A 0 -3,-1.0 -3,-2.0 -32,-0.2 2,-0.3 -0.978 52.8 -67.6 168.5-153.3 -7.1 -2.7 23.2 100 204 A R E -CD 66 95A 10 -34,-2.0 -34,-2.6 -2,-0.3 2,-0.5 -0.977 16.9-141.8-139.6 152.1 -10.1 -0.5 22.3 101 205 A L E +CD 65 94A 0 -7,-2.7 -8,-3.0 -2,-0.3 -7,-1.5 -0.981 36.8 174.4-116.1 114.8 -13.6 0.4 23.5 102 206 A E E -CD 64 92A 7 -38,-2.7 -38,-2.8 -2,-0.5 -10,-0.2 -0.817 38.2 -80.1-121.6 160.5 -15.8 1.0 20.5 103 207 A Q E -C 63 0A 59 -12,-2.4 2,-0.5 -2,-0.3 -40,-0.2 -0.336 42.5-127.3 -56.4 136.5 -19.5 1.6 19.9 104 208 A F - 0 0 54 -42,-0.7 -42,-0.1 -14,-0.0 -1,-0.1 -0.794 23.3-160.0 -89.4 125.8 -21.7 -1.5 20.0 105 209 A I - 0 0 30 -2,-0.5 2,-0.4 2,-0.0 -42,-0.0 -0.936 14.2-135.2-112.3 111.8 -23.8 -1.7 16.9 106 210 A P + 0 0 62 0, 0.0 106,-1.8 0, 0.0 2,-0.3 -0.534 63.7 93.4 -66.9 119.6 -26.9 -3.9 17.0 107 211 A S E -E 211 0B 28 -2,-0.4 2,-0.3 104,-0.2 104,-0.2 -0.956 63.8-116.2-179.5-175.7 -26.8 -5.9 13.8 108 212 A R E -E 210 0B 111 102,-1.3 102,-2.9 -2,-0.3 2,-0.2 -0.885 34.6-104.2-137.4 163.3 -25.7 -9.2 12.2 109 213 A R E -E 209 0B 97 -2,-0.3 100,-0.2 100,-0.2 97,-0.2 -0.563 43.6-101.9 -84.0 160.1 -23.1 -9.7 9.4 110 214 A L - 0 0 5 98,-1.5 2,-0.2 95,-1.1 98,-0.2 -0.459 31.5-124.3 -75.1 157.3 -24.5 -10.5 5.9 111 215 A D > - 0 0 84 -2,-0.1 3,-1.1 1,-0.1 4,-0.5 -0.613 27.6-108.6 -91.8 161.2 -24.4 -14.1 4.7 112 216 A T G > S+ 0 0 11 1,-0.2 3,-1.7 -2,-0.2 4,-0.4 0.894 118.1 59.9 -56.3 -44.0 -22.5 -14.9 1.3 113 217 A E G 3 S+ 0 0 116 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.660 96.6 61.7 -56.4 -25.5 -25.9 -15.6 -0.5 114 218 A E G X S+ 0 0 34 -3,-1.1 3,-1.1 1,-0.2 -1,-0.3 0.691 84.7 76.4 -78.9 -20.6 -27.1 -12.0 0.4 115 219 A L T < S+ 0 0 0 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.804 91.3 55.3 -57.7 -35.7 -24.2 -10.4 -1.7 116 220 A S T 3 S+ 0 0 51 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.657 78.5 112.7 -72.9 -20.4 -26.1 -11.2 -5.0 117 221 A L S <> S- 0 0 88 -3,-1.1 4,-3.1 -4,-0.2 3,-0.4 -0.370 71.0-133.9 -58.6 120.3 -29.3 -9.4 -3.9 118 222 A P H > S+ 0 0 73 0, 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379 B I H 3X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.3 -2,-0.2 0.843 107.2 61.6 -65.0 -35.4 -13.6 33.7 33.8 610 380 B S H 3< S+ 0 0 46 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.637 114.1 38.3 -62.0 -16.2 -16.6 36.0 32.7 611 381 B S H <> S+ 0 0 28 -3,-1.1 4,-0.6 -4,-0.4 -2,-0.2 0.705 116.8 50.8-102.3 -32.3 -15.6 34.8 29.2 612 382 B Y H X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.1 -2,-0.2 0.921 105.7 54.6 -68.9 -53.9 -14.7 31.2 30.1 613 383 B L H >X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 3,-0.9 0.916 108.8 42.7 -54.5 -55.4 -18.0 30.4 32.1 614 384 B P H 34 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.776 115.4 53.4 -65.8 -21.6 -20.8 31.2 29.5 615 385 B A H 3< S+ 0 0 46 -4,-0.6 -2,-0.2 -3,-0.2 -3,-0.1 0.676 121.9 28.6 -81.5 -21.3 -18.6 29.5 26.8 616 386 B F H << S+ 0 0 68 -4,-1.0 2,-0.6 -3,-0.9 -3,-0.2 0.849 118.4 52.1-101.2 -58.6 -18.3 26.3 28.8 617 387 B Q < - 0 0 48 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 -0.797 68.7-157.7 -89.7 110.7 -21.5 26.1 31.0 618 388 B N S S+ 0 0 162 -2,-0.6 3,-0.5 1,-0.2 4,-0.2 0.865 90.9 43.4 -53.8 -49.1 -24.6 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29.4 37.0 670 440 B Y H X S+ 0 0 8 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.907 108.6 50.5 -63.1 -45.9 13.7 28.7 35.6 671 441 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 3,-0.2 0.920 112.4 47.8 -58.9 -44.3 13.0 26.0 38.3 672 442 B Q H X S+ 0 0 32 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.893 109.8 52.1 -63.7 -42.0 14.1 28.6 41.0 673 443 B A H X S+ 0 0 17 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.775 112.8 46.1 -62.4 -33.1 11.8 31.3 39.4 674 444 B R H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.883 113.5 47.7 -77.7 -42.9 8.8 28.8 39.6 675 445 B F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.894 110.4 52.1 -65.8 -36.5 9.7 27.8 43.2 676 446 B D H X S+ 0 0 82 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.896 112.4 46.7 -60.0 -44.0 10.0 31.5 44.2 677 447 B A H X S+ 0 0 4 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.814 107.5 56.6 -67.9 -35.2 6.5 32.1 42.6 678 448 B Y H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.934 112.4 41.2 -62.6 -47.9 5.1 29.0 44.4 679 449 B F H X S+ 0 0 50 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.810 114.5 51.9 -71.1 -29.9 6.1 30.4 47.8 680 450 B H H X S+ 0 0 62 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.896 112.0 46.0 -70.3 -42.1 5.0 33.9 46.9 681 451 B Q H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.837 108.6 56.0 -68.9 -35.5 1.6 32.6 45.8 682 452 B K H X>S+ 0 0 30 -4,-2.0 5,-2.3 2,-0.2 4,-0.9 0.915 111.1 45.4 -60.5 -44.1 1.3 30.4 49.1 683 453 B R H ><5S+ 0 0 166 -4,-1.5 3,-1.3 2,-0.2 -2,-0.2 0.963 109.9 53.0 -62.8 -55.9 1.8 33.7 51.0 684 454 B K H 3<5S+ 0 0 155 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.836 116.0 41.4 -48.9 -41.1 -0.7 35.7 48.9 685 455 B L H 3<5S- 0 0 56 -4,-2.0 -1,-0.3 -45,-0.1 -2,-0.2 0.601 105.7-127.5 -83.5 -16.0 -3.3 32.9 49.6 686 456 B G T <<5 0 0 70 -3,-1.3 -3,-0.2 -4,-0.9 -2,-0.1 0.786 360.0 360.0 70.3 31.2 -2.4 32.5 53.3 687 457 B V < 0 0 62 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 0.311 360.0 360.0-111.3 360.0 -2.1 28.7 52.8