==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-FEB-13 4JAJ . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.JIANG,K.JOSEPHSON,B.HUCK,A.GOUTOPOULOS,S.KARRA . 265 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 0 1 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 1 1 0 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 . 1 0 1 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 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 1 125 A K 0 0 249 0, 0.0 2,-0.2 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0-128.1 -3.5 -21.1 28.4 2 126 A R - 0 0 201 2,-0.1 2,-1.1 0, 0.0 0, 0.0 -0.587 360.0-121.4 172.5 125.5 -0.1 -20.0 26.8 3 127 A Q - 0 0 105 -2,-0.2 2,-0.1 73,-0.0 73,-0.1 -0.624 35.7-175.3 -86.0 102.5 0.6 -17.2 24.5 4 128 A W + 0 0 78 -2,-1.1 2,-0.3 71,-0.3 73,-0.2 -0.478 4.7 179.6 -85.7 170.9 2.0 -18.5 21.2 5 129 A A > - 0 0 40 -2,-0.1 3,-2.9 71,-0.1 4,-0.2 -0.949 43.2 -86.6-161.7 159.1 3.3 -16.6 18.4 6 130 A L G > S+ 0 0 76 1,-0.3 3,-3.2 -2,-0.3 -1,-0.1 0.763 118.7 58.3 -25.1 -71.9 4.8 -17.2 14.9 7 131 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.501 90.7 75.1 -53.5 -4.3 8.4 -17.6 15.9 8 132 A D G < S+ 0 0 40 -3,-2.9 21,-2.8 20,-0.1 2,-0.3 0.632 97.7 55.3 -75.3 -13.2 7.3 -20.4 18.2 9 133 A F E < -A 28 0A 10 -3,-3.2 2,-0.5 19,-0.2 19,-0.2 -0.920 67.9-141.5-126.9 145.2 7.0 -22.6 15.1 10 134 A E E -A 27 0A 92 17,-2.7 17,-2.6 -2,-0.3 2,-0.3 -0.898 33.5-141.6 -97.8 131.5 8.9 -23.9 12.1 11 135 A I E -A 26 0A 80 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.737 22.3-177.2-100.3 145.1 6.5 -23.9 9.1 12 136 A G E - 0 0 36 13,-3.1 3,-0.1 1,-0.3 -1,-0.1 -0.147 38.7 -21.2-121.1-148.5 6.6 -26.6 6.5 13 137 A R E S- 0 0 137 1,-0.1 12,-2.1 11,-0.1 -1,-0.3 -0.293 71.0-100.6 -71.0 146.8 5.0 -27.7 3.4 14 138 A P E -A 24 0A 80 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 -0.533 28.8-166.2 -66.9 127.3 1.7 -26.3 2.5 15 139 A L E - 0 0 55 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.798 57.9 -58.8 -87.2 -39.4 -1.0 -28.8 3.3 16 140 A G E -A 23 0A 36 7,-1.3 7,-2.1 -3,-0.1 -1,-0.3 -0.989 49.1 -87.2 179.8-172.8 -3.7 -27.0 1.4 17 141 A K + 0 0 172 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.847 24.3 178.8-114.2 150.8 -5.8 -24.0 0.7 18 142 A G > - 0 0 35 3,-0.4 3,-1.0 -2,-0.3 -2,-0.0 -0.774 51.2 -90.1-127.2 178.4 -9.1 -22.7 2.0 19 143 A K T 3 S+ 0 0 167 -2,-0.3 2,-0.2 1,-0.2 3,-0.1 0.974 123.7 36.2 -46.8 -59.5 -10.9 -19.5 1.0 20 144 A F T 3 S- 0 0 46 1,-0.2 21,-1.1 -3,-0.1 -1,-0.2 -0.209 128.2 -34.5-103.8 39.9 -9.2 -17.4 3.7 21 145 A G < - 0 0 14 -3,-1.0 -3,-0.4 19,-0.2 -1,-0.2 -0.201 67.2 -84.2 127.2 148.3 -5.6 -18.8 3.9 22 146 A N - 0 0 51 -5,-0.2 17,-2.8 -2,-0.1 2,-0.4 -0.264 31.1-125.0 -75.7 164.5 -3.7 -22.0 3.7 23 147 A V E -AB 16 38A 36 -7,-2.1 -8,-2.6 15,-0.2 -7,-1.3 -0.877 32.4-161.9-101.9 139.9 -3.1 -24.7 6.3 24 148 A Y E -AB 14 37A 49 13,-2.4 13,-3.5 -2,-0.4 2,-0.3 -0.973 22.6-118.0-127.4 142.7 0.5 -25.5 6.9 25 149 A L E + B 0 36A 35 -12,-2.1 -13,-3.1 -2,-0.4 2,-0.3 -0.526 45.8 177.8 -64.6 134.1 2.4 -28.3 8.5 26 150 A A E -AB 11 35A 2 9,-2.7 9,-2.8 -2,-0.3 2,-0.4 -0.941 26.0-148.9-142.4 158.5 4.3 -26.8 11.5 27 151 A R E -AB 10 34A 92 -17,-2.6 -17,-2.7 -2,-0.3 2,-0.4 -0.992 22.6-127.0-129.4 127.7 6.6 -27.9 14.3 28 152 A E E > -A 9 0A 14 5,-2.4 4,-2.2 -2,-0.4 5,-0.4 -0.589 23.3-137.1 -72.0 127.4 6.7 -26.3 17.7 29 153 A K T 4 S+ 0 0 105 -21,-2.8 -1,-0.1 -2,-0.4 -20,-0.1 0.768 92.4 40.3 -62.5 -36.2 10.3 -25.4 18.4 30 154 A Q T 4 S+ 0 0 182 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.905 128.8 26.8 -84.6 -40.5 10.8 -26.4 22.0 31 155 A S T 4 S- 0 0 72 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.561 93.3-132.4 -91.7 -15.7 8.8 -29.6 22.0 32 156 A K < + 0 0 148 -4,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.668 46.8 166.8 59.8 23.2 9.2 -30.6 18.3 33 157 A F - 0 0 101 -5,-0.4 -5,-2.4 -6,-0.1 2,-0.5 -0.406 30.3-139.0 -69.0 129.5 5.4 -31.2 18.3 34 158 A I E +B 27 0A 70 -7,-0.2 54,-0.5 -3,-0.1 2,-0.3 -0.818 39.6 141.6 -89.2 134.7 4.1 -31.6 14.8 35 159 A L E -B 26 0A 9 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.4 -0.837 47.8 -97.5-150.4-173.5 0.7 -29.9 14.2 36 160 A A E -BC 25 86A 5 50,-3.1 50,-2.9 -2,-0.3 2,-0.6 -0.946 23.0-150.7-116.9 141.8 -1.1 -27.9 11.5 37 161 A L E -BC 24 85A 0 -13,-3.5 -13,-2.4 -2,-0.4 2,-0.8 -0.943 7.3-156.6-113.7 112.0 -1.3 -24.1 11.4 38 162 A K E -BC 23 84A 30 46,-3.0 46,-2.8 -2,-0.6 2,-0.5 -0.771 12.7-156.7 -90.4 110.8 -4.5 -22.8 9.7 39 163 A V E - C 0 83A 3 -17,-2.8 2,-0.4 -2,-0.8 44,-0.2 -0.796 12.2-177.3 -87.7 130.5 -3.8 -19.2 8.5 40 164 A L E - C 0 82A 13 42,-2.9 42,-3.2 -2,-0.5 2,-0.7 -0.990 24.5-131.5-124.0 129.6 -6.7 -16.8 8.0 41 165 A F E > - C 0 81A 67 -21,-1.1 4,-2.1 -2,-0.4 40,-0.3 -0.787 10.3-148.3 -77.8 116.0 -6.2 -13.3 6.6 42 166 A K H > S+ 0 0 55 38,-2.4 4,-2.4 -2,-0.7 5,-0.3 0.917 95.6 57.8 -48.3 -49.3 -8.1 -10.7 8.8 43 167 A A H > S+ 0 0 42 37,-0.6 4,-2.6 1,-0.2 3,-0.3 0.936 110.3 42.6 -47.5 -55.7 -8.7 -8.4 5.8 44 168 A Q H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.788 112.7 53.8 -67.6 -32.4 -10.6 -11.1 3.9 45 169 A L H <>S+ 0 0 10 -4,-2.1 5,-2.0 2,-0.2 4,-0.5 0.901 111.4 42.8 -68.6 -45.5 -12.5 -12.4 6.9 46 170 A E H ><5S+ 0 0 126 -4,-2.4 3,-1.5 -3,-0.3 -2,-0.2 0.969 113.1 52.9 -63.4 -50.9 -13.9 -9.0 7.8 47 171 A K H 3<5S+ 0 0 175 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.885 113.4 44.1 -52.5 -46.4 -14.8 -8.2 4.2 48 172 A A T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.566 108.6-135.1 -75.6 -14.9 -16.6 -11.5 4.0 49 173 A G T < 5 + 0 0 40 -3,-1.5 -3,-0.2 -4,-0.5 3,-0.2 0.824 68.3 118.1 66.9 38.4 -18.2 -10.7 7.3 50 174 A V >>< + 0 0 15 -5,-2.0 4,-1.4 1,-0.1 3,-0.8 -0.063 21.7 120.1-121.7 28.8 -17.7 -14.2 8.9 51 175 A E H 3> S+ 0 0 90 -6,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.710 73.8 61.4 -70.2 -15.1 -15.4 -13.4 11.8 52 176 A H H 3> S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.755 97.0 57.3 -76.6 -30.0 -18.1 -14.8 14.1 53 177 A Q H <> S+ 0 0 23 -3,-0.8 4,-2.9 2,-0.2 5,-0.2 0.915 106.2 52.2 -63.6 -40.3 -17.8 -18.2 12.4 54 178 A L H X S+ 0 0 26 -4,-1.4 4,-2.6 2,-0.2 5,-0.3 0.962 108.9 47.2 -60.3 -51.3 -14.2 -17.9 13.4 55 179 A R H X S+ 0 0 142 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.928 113.7 50.0 -56.5 -42.4 -15.0 -17.3 17.1 56 180 A R H X S+ 0 0 35 -4,-2.5 4,-3.7 1,-0.2 5,-0.4 0.916 108.5 51.1 -60.6 -49.2 -17.5 -20.1 17.0 57 181 A E H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.912 114.4 44.5 -54.1 -49.8 -15.1 -22.6 15.5 58 182 A V H X S+ 0 0 19 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.945 117.7 42.5 -64.6 -46.6 -12.5 -21.7 18.1 59 183 A E H X S+ 0 0 114 -4,-3.0 4,-0.8 -5,-0.3 -2,-0.2 0.959 123.0 38.4 -64.3 -47.8 -14.9 -21.8 21.0 60 184 A I H >X S+ 0 0 10 -4,-3.7 4,-0.9 -5,-0.2 3,-0.7 0.956 119.0 43.7 -71.8 -50.9 -16.7 -24.9 19.9 61 185 A Q H 3< S+ 0 0 1 -4,-2.5 11,-0.7 -5,-0.4 3,-0.3 0.819 108.1 58.3 -70.8 -31.2 -13.8 -27.0 18.5 62 186 A S H 3< S+ 0 0 31 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.774 108.8 45.6 -70.2 -22.7 -11.4 -26.3 21.4 63 187 A H H << S+ 0 0 140 -4,-0.8 -1,-0.2 -3,-0.7 2,-0.2 0.575 91.9 94.0 -93.6 -15.7 -13.9 -27.7 24.0 64 188 A L < - 0 0 7 -4,-0.9 2,-0.3 -3,-0.3 8,-0.2 -0.536 51.6-174.2 -75.9 144.3 -14.8 -30.9 22.0 65 189 A R + 0 0 131 -2,-0.2 5,-0.1 6,-0.1 -3,-0.0 -0.736 26.9 129.2-144.8 96.7 -12.8 -34.0 22.9 66 190 A H > - 0 0 43 3,-0.4 3,-2.0 -2,-0.3 5,-0.1 -0.997 61.1-123.5-150.4 138.5 -13.4 -37.1 20.8 67 191 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.820 114.2 47.6 -59.2 -23.5 -11.1 -39.4 18.9 68 192 A N T 3 S+ 0 0 13 47,-0.1 80,-2.9 79,-0.1 2,-0.4 0.148 98.2 79.4-106.2 20.7 -13.0 -38.6 15.6 69 193 A I B < S-e 148 0B 6 -3,-2.0 -3,-0.4 78,-0.3 2,-0.4 -0.994 87.5-115.7-121.8 128.8 -13.1 -34.9 16.0 70 194 A L - 0 0 2 78,-3.5 2,-0.1 -2,-0.4 -6,-0.1 -0.534 32.3-123.8 -68.8 127.2 -10.0 -32.9 15.1 71 195 A R - 0 0 82 -2,-0.4 16,-2.9 -4,-0.1 2,-0.5 -0.358 16.0-157.6 -71.7 136.5 -8.5 -31.2 18.0 72 196 A L E -D 86 0A 3 -11,-0.7 14,-0.2 -8,-0.2 3,-0.1 -0.975 7.5-173.7-112.5 128.7 -7.9 -27.4 18.1 73 197 A Y E - 0 0 86 12,-3.3 2,-0.3 -2,-0.5 13,-0.1 0.612 52.4 -65.3 -98.8 -20.1 -5.3 -26.5 20.6 74 198 A G E -D 85 0A 17 11,-0.8 11,-3.1 2,-0.0 -1,-0.4 -0.932 45.1-117.5 156.7-167.1 -5.4 -22.8 20.4 75 199 A Y E -D 84 0A 125 -2,-0.3 -71,-0.3 9,-0.2 2,-0.3 -0.957 14.4-175.2-158.5 158.5 -4.9 -19.7 18.3 76 200 A F E -D 83 0A 15 7,-2.5 7,-3.0 -2,-0.3 2,-0.3 -0.947 9.3-155.3-152.3 174.6 -3.0 -16.5 18.0 77 201 A H E -D 82 0A 108 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.988 9.0-174.7-153.0 156.1 -2.9 -13.5 15.7 78 202 A D - 0 0 68 3,-2.1 5,-0.0 -2,-0.3 -73,-0.0 -0.179 58.4 -59.6-123.9-142.0 -0.7 -10.7 14.4 79 203 A A S S+ 0 0 93 -2,-0.1 3,-0.0 1,-0.1 0, 0.0 0.951 128.7 14.5 -76.0 -47.4 -1.4 -7.7 12.2 80 204 A T S S+ 0 0 65 -38,-0.1 -38,-2.4 -39,-0.1 -37,-0.6 0.662 120.5 52.5-104.0 -17.3 -2.8 -9.3 9.1 81 205 A R E -C 41 0A 81 -40,-0.3 -3,-2.1 -39,-0.1 2,-0.4 -0.823 52.6-150.8-132.8 151.0 -3.5 -12.9 10.1 82 206 A V E -CD 40 77A 12 -42,-3.2 -42,-2.9 -2,-0.3 2,-0.5 -0.908 22.4-156.0-111.8 146.7 -5.2 -15.2 12.6 83 207 A Y E -CD 39 76A 6 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.5 -0.994 4.5-160.2-129.7 120.7 -3.6 -18.6 13.2 84 208 A L E -CD 38 75A 0 -46,-2.8 -46,-3.0 -2,-0.5 2,-0.8 -0.885 14.1-142.6 -96.9 132.6 -5.4 -21.7 14.4 85 209 A I E -CD 37 74A 3 -11,-3.1 -12,-3.3 -2,-0.5 -11,-0.8 -0.888 31.6-179.6 -98.0 106.5 -3.3 -24.4 15.9 86 210 A L E -CD 36 72A 8 -50,-2.9 -50,-3.1 -2,-0.8 -14,-0.2 -0.738 36.3 -97.8-112.8 150.2 -4.7 -27.7 14.9 87 211 A E - 0 0 37 -16,-2.9 2,-0.4 -2,-0.3 -52,-0.2 -0.326 48.6-118.8 -51.0 134.5 -4.1 -31.4 15.4 88 212 A Y - 0 0 62 -54,-0.5 -1,-0.1 -62,-0.1 -17,-0.1 -0.755 19.5-155.5 -88.7 127.6 -2.2 -32.6 12.3 89 213 A A > - 0 0 12 -2,-0.4 3,-1.6 1,-0.1 51,-0.3 -0.868 8.2-167.7-107.1 98.2 -4.0 -35.3 10.3 90 214 A P T 3 S+ 0 0 53 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.624 76.7 55.1 -71.9 -17.8 -1.3 -37.2 8.5 91 215 A L T 3 S- 0 0 73 49,-2.2 50,-0.1 1,-0.3 6,-0.0 0.371 100.2-135.4 -96.7 5.9 -3.3 -39.2 6.0 92 216 A G < - 0 0 14 -3,-1.6 48,-1.8 48,-0.5 -1,-0.3 -0.222 39.5 -26.6 79.5-162.8 -5.1 -36.2 4.5 93 217 A T B > -F 139 0B 35 46,-0.2 4,-1.7 1,-0.1 46,-0.2 -0.426 41.6-126.9 -92.4 156.4 -8.7 -35.7 3.6 94 218 A V H > S+ 0 0 0 44,-2.4 4,-2.2 41,-0.7 5,-0.2 0.755 111.9 65.2 -64.4 -31.2 -11.4 -38.1 2.6 95 219 A Y H > S+ 0 0 109 40,-1.2 4,-2.8 43,-0.4 5,-0.2 0.978 106.1 41.8 -56.3 -48.2 -11.8 -35.8 -0.5 96 220 A R H > S+ 0 0 135 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.895 111.5 54.9 -68.5 -39.7 -8.3 -36.8 -1.6 97 221 A E H X S+ 0 0 24 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.872 110.6 47.0 -59.0 -37.8 -8.9 -40.4 -0.7 98 222 A L H X S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.870 110.5 49.7 -73.6 -39.9 -12.0 -40.4 -2.9 99 223 A Q H < S+ 0 0 127 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.939 113.8 48.2 -65.9 -34.7 -10.3 -38.8 -5.8 100 224 A K H < S+ 0 0 147 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.953 126.0 26.7 -66.4 -51.6 -7.5 -41.4 -5.5 101 225 A L H < S- 0 0 69 -4,-2.4 2,-1.8 -5,-0.2 -1,-0.2 0.572 90.8-142.7 -92.9 -8.7 -9.9 -44.5 -5.3 102 226 A S S < S+ 0 0 85 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.1 -0.174 77.7 5.5 72.6 -48.2 -12.8 -43.0 -7.2 103 227 A K S S- 0 0 97 -2,-1.8 2,-0.3 -6,-0.1 96,-0.2 -0.966 77.6-117.2-156.9 165.0 -15.2 -44.8 -4.9 104 228 A F - 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0 0 39 -2,-1.2 2,-0.3 -3,-0.1 -17,-0.1 -0.947 32.0-161.3-141.7 157.1 -31.7 -38.9 -6.7 223 347 A T - 0 0 112 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.942 18.3-122.0-135.8 161.3 -31.2 -42.4 -8.1 224 348 A F - 0 0 33 -2,-0.3 -28,-0.0 4,-0.1 -2,-0.0 -0.832 20.4-120.6-104.6 135.8 -28.7 -45.2 -7.5 225 349 A P > - 0 0 38 0, 0.0 3,-1.4 0, 0.0 -1,-0.0 -0.382 38.4-106.5 -63.9 162.1 -26.4 -46.9 -9.8 226 350 A D T 3 S+ 0 0 154 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.794 113.1 66.7 -61.4 -32.4 -27.1 -50.6 -10.0 227 351 A F T 3 S+ 0 0 114 2,-0.1 2,-0.5 -27,-0.0 -1,-0.3 0.670 76.1 102.4 -68.1 -17.4 -24.0 -51.7 -8.1 228 352 A V S < S- 0 0 5 -3,-1.4 -4,-0.1 1,-0.1 -32,-0.0 -0.581 74.3-126.0 -72.9 128.6 -25.4 -50.1 -4.9 229 353 A T > - 0 0 50 -2,-0.5 4,-3.1 1,-0.1 3,-0.4 -0.238 14.6-111.7 -78.1 160.2 -26.7 -52.8 -2.6 230 354 A E H > S+ 0 0 140 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.747 116.8 52.8 -64.5 -27.2 -30.2 -52.9 -1.0 231 355 A G H > S+ 0 0 24 2,-0.2 4,-1.9 3,-0.1 -1,-0.3 0.929 111.2 45.3 -72.6 -41.7 -28.8 -52.3 2.5 232 356 A A H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.949 112.9 52.1 -65.3 -47.3 -26.9 -49.2 1.4 233 357 A R H X S+ 0 0 52 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.895 108.6 51.5 -53.1 -42.4 -30.0 -48.0 -0.5 234 358 A D H X S+ 0 0 60 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.894 111.5 45.4 -64.7 -43.1 -32.1 -48.5 2.6 235 359 A L H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.971 116.3 45.1 -62.5 -50.7 -29.8 -46.5 4.9 236 360 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 3,-0.4 0.945 111.3 53.0 -63.2 -45.5 -29.3 -43.7 2.4 237 361 A S H < S+ 0 0 50 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.827 110.0 49.3 -66.0 -28.3 -33.1 -43.5 1.6 238 362 A R H < S+ 0 0 124 -4,-1.3 3,-0.3 -5,-0.2 -1,-0.3 0.862 113.5 45.5 -74.5 -34.3 -33.8 -43.3 5.3 239 363 A L H < S+ 0 0 0 -4,-1.9 2,-1.8 -3,-0.4 -2,-0.2 0.867 103.6 64.4 -75.2 -37.3 -31.3 -40.5 5.8 240 364 A L < + 0 0 5 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.421 69.4 139.0 -93.2 64.4 -32.3 -38.4 2.8 241 365 A K - 0 0 74 -2,-1.8 6,-0.1 -3,-0.3 5,-0.1 -0.928 53.4-138.4-107.5 136.2 -35.8 -37.5 3.8 242 366 A H S S+ 0 0 71 -2,-0.4 -67,-0.2 1,-0.1 -1,-0.1 0.847 93.1 67.9 -61.2 -38.7 -37.2 -34.0 3.1 243 367 A N S > S- 0 0 70 1,-0.2 3,-1.9 -69,-0.1 4,-0.4 -0.768 76.4-152.7 -86.9 115.9 -38.8 -33.9 6.5 244 368 A P G > S+ 0 0 18 0, 0.0 3,-2.6 0, 0.0 -1,-0.2 0.870 91.9 62.8 -55.8 -39.8 -36.1 -33.8 9.2 245 369 A S G 3 S+ 0 0 97 1,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 0.721 98.8 56.9 -59.1 -25.4 -38.3 -35.5 11.8 246 370 A Q G < S+ 0 0 115 -3,-1.9 -1,-0.3 -5,-0.1 -4,-0.1 0.566 85.1 101.4 -84.6 -7.8 -38.5 -38.5 9.6 247 371 A R S < S- 0 0 3 -3,-2.6 -8,-0.2 -4,-0.4 -58,-0.1 -0.541 80.7-111.0 -75.6 142.1 -34.7 -38.9 9.6 248 372 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.098 27.5-107.4 -66.6 165.1 -33.4 -41.5 11.9 249 373 A M > - 0 0 88 1,-0.1 4,-1.2 -61,-0.0 3,-0.3 -0.515 35.2-106.0 -79.6 165.3 -31.4 -40.8 15.1 250 374 A L H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 119.1 60.7 -65.2 -33.4 -27.8 -41.6 15.1 251 375 A R H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 102.0 53.4 -56.7 -43.1 -28.3 -44.7 17.2 252 376 A E H 4 S+ 0 0 93 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.4 48.8 -65.3 -29.6 -30.5 -46.1 14.5 253 377 A V H >< S+ 0 0 0 -4,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.903 107.7 53.7 -75.0 -44.4 -27.7 -45.6 12.0 254 378 A L H 3< S+ 0 0 41 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 114.8 41.7 -59.7 -27.5 -25.1 -47.2 14.2 255 379 A E T 3< S+ 0 0 120 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.188 81.5 129.8-108.0 13.8 -27.3 -50.3 14.5 256 380 A H <> - 0 0 20 -3,-1.8 4,-2.9 1,-0.1 5,-0.2 -0.496 65.6-126.1 -68.1 136.7 -28.4 -50.4 10.9 257 381 A P H > S+ 0 0 97 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.883 109.2 52.3 -51.9 -41.9 -27.9 -54.0 9.6 258 382 A W H > S+ 0 0 14 -27,-0.2 4,-1.4 1,-0.2 5,-0.3 0.926 113.1 45.1 -61.2 -42.5 -25.8 -52.8 6.6 259 383 A I H > S+ 0 0 3 -6,-0.2 4,-2.7 1,-0.2 6,-0.3 0.912 113.6 50.1 -66.5 -42.9 -23.6 -50.8 8.9 260 384 A T H < S+ 0 0 95 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.950 113.0 45.0 -61.4 -46.4 -23.3 -53.7 11.4 261 385 A A H < S+ 0 0 83 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.782 125.5 30.0 -69.2 -26.5 -22.4 -56.2 8.7 262 386 A N H < S+ 0 0 23 -4,-1.4 -151,-0.2 -5,-0.2 -2,-0.2 0.733 93.0 97.6-109.6 -25.1 -19.8 -54.0 6.9 263 387 A S < - 0 0 21 -4,-2.7 -155,-0.1 -5,-0.3 -156,-0.1 -0.317 69.8-134.6 -72.6 147.7 -18.3 -51.7 9.5 264 388 A S 0 0 88 -157,-0.4 -1,-0.1 1,-0.3 -4,-0.1 -0.138 360.0 360.0 -87.5 40.0 -15.0 -52.6 11.1 265 389 A K 0 0 219 -6,-0.3 -1,-0.3 -5,-0.1 -150,-0.1 0.342 360.0 360.0 69.9 360.0 -16.6 -51.7 14.5