==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUL-09 3I68 . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE HOMOLOG, . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR X.DENG,M.A.PHILLIPS . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.5 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 . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 1 0 0 1 0 0 1 1 3 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 2 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 PARALLEL BRIDGES PER LADDER . 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 1 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 1 159 A E 0 0 56 0, 0.0 43,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-172.1 -29.1 -35.3 7.0 2 160 A S + 0 0 38 1,-0.3 2,-0.1 39,-0.1 40,-0.0 0.088 360.0 34.7 96.0 159.9 -32.1 -34.3 9.2 3 161 A Y S S+ 0 0 202 1,-0.0 -1,-0.3 -2,-0.0 3,-0.1 0.616 81.1 176.7 -69.6 147.2 -34.1 -34.1 11.1 4 162 A N > - 0 0 34 1,-0.1 4,-1.7 -2,-0.1 5,-0.1 -0.897 52.7-148.7-125.8 150.6 -31.4 -34.7 13.7 5 163 A P H > S+ 0 0 84 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.836 109.6 62.0 -67.0 -38.7 -30.7 -34.9 17.3 6 164 A E H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.923 107.4 41.3 -52.3 -49.1 -27.3 -33.6 16.1 7 165 A F H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 341,-0.3 0.898 116.8 49.4 -63.7 -40.9 -28.9 -30.5 14.8 8 166 A F H X S+ 0 0 132 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.906 106.0 54.8 -69.9 -45.9 -31.1 -30.1 17.8 9 167 A L H X S+ 0 0 106 -4,-3.5 4,-1.9 1,-0.2 3,-0.4 0.943 112.4 43.7 -49.0 -53.6 -28.4 -30.6 20.3 10 168 A Y H X S+ 0 0 45 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.790 108.3 58.0 -67.7 -30.1 -26.4 -27.7 18.8 11 169 A D H X S+ 0 0 14 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.794 106.6 48.7 -73.6 -27.5 -29.4 -25.4 18.4 12 170 A I H X S+ 0 0 98 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.943 113.3 48.0 -66.1 -52.2 -30.1 -25.7 22.2 13 171 A F H X S+ 0 0 86 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.853 112.2 49.4 -55.5 -39.2 -26.4 -24.9 22.8 14 172 A L H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.880 108.6 51.3 -71.0 -42.2 -26.6 -21.9 20.4 15 173 A K H X S+ 0 0 118 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.836 110.2 51.3 -62.4 -35.2 -29.8 -20.5 21.9 16 174 A F H X S+ 0 0 104 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.937 110.1 48.6 -63.2 -49.5 -28.0 -20.7 25.3 17 175 A C H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.868 108.1 55.8 -60.5 -36.3 -25.0 -18.8 23.9 18 176 A L H < S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 110.0 44.2 -63.4 -40.7 -27.2 -16.2 22.4 19 177 A K H < S+ 0 0 158 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.931 130.2 19.1 -70.0 -45.2 -28.8 -15.4 25.8 20 178 A Y H < S+ 0 0 150 -4,-2.1 2,-0.3 -5,-0.1 -3,-0.2 0.804 108.4 71.2 -99.8 -35.8 -25.7 -15.3 27.9 21 179 A I S < S- 0 0 64 -4,-2.1 5,-0.1 -5,-0.3 -1,-0.0 -0.650 80.6 -98.6-106.1 144.1 -22.6 -14.8 25.7 22 180 A D > - 0 0 66 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.232 34.9-125.6 -45.3 133.0 -21.0 -12.1 23.7 23 181 A G H > S+ 0 0 8 82,-0.4 4,-2.9 1,-0.2 5,-0.2 0.934 108.3 46.6 -51.7 -56.8 -21.8 -12.4 19.9 24 182 A E H > S+ 0 0 11 81,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.873 112.5 51.1 -59.7 -38.7 -18.2 -12.3 18.7 25 183 A I H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 111.8 47.9 -61.5 -44.1 -17.2 -14.8 21.3 26 184 A C H X S+ 0 0 12 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.936 111.0 50.4 -60.7 -50.0 -20.1 -17.1 20.3 27 185 A H H X S+ 0 0 32 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.957 112.0 47.7 -52.1 -53.8 -19.2 -16.8 16.6 28 186 A D H X S+ 0 0 74 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.828 109.6 52.8 -61.1 -35.8 -15.6 -17.7 17.3 29 187 A L H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.914 111.4 45.6 -65.8 -44.7 -16.5 -20.6 19.4 30 188 A F H X S+ 0 0 26 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.858 109.9 53.9 -68.8 -33.5 -18.7 -22.1 16.7 31 189 A L H X S+ 0 0 23 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.905 110.5 49.6 -61.2 -38.4 -16.0 -21.4 14.0 32 190 A L H X S+ 0 0 83 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.876 108.9 49.1 -70.0 -41.1 -13.7 -23.4 16.4 33 191 A L H <>S+ 0 0 31 -4,-2.3 5,-1.8 2,-0.2 6,-0.3 0.872 112.1 51.1 -61.2 -37.5 -16.2 -26.3 16.7 34 192 A G H ><5S+ 0 0 3 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.898 105.6 54.7 -66.7 -41.3 -16.4 -26.2 12.8 35 193 A K H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.1 47.6 -61.7 -34.0 -12.6 -26.3 12.5 36 194 A Y T 3<5S- 0 0 154 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.394 111.7-126.1 -91.3 4.8 -12.5 -29.5 14.6 37 195 A N T < 5 + 0 0 73 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.839 69.7 127.8 60.5 42.7 -15.4 -30.9 12.5 38 196 A I < + 0 0 87 -5,-1.8 -4,-0.1 2,-0.1 -1,-0.1 0.245 45.3 101.3-108.6 9.9 -17.9 -31.8 15.3 39 197 A L S S- 0 0 22 -6,-0.3 -32,-0.1 -5,-0.2 -33,-0.0 -0.547 79.7 -87.6 -94.3 160.9 -20.8 -30.0 13.8 40 198 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.266 34.0-141.0 -70.3 153.9 -23.7 -31.6 11.8 41 199 A Y - 0 0 56 41,-0.1 2,-0.8 42,-0.0 41,-0.2 -0.868 7.9-142.7-108.7 145.1 -23.8 -32.4 8.0 42 200 A D + 0 0 13 39,-3.1 41,-0.1 -2,-0.3 -40,-0.1 -0.923 27.0 170.8 -99.4 101.7 -26.6 -32.1 5.6 43 201 A T + 0 0 78 -2,-0.8 -1,-0.1 39,-0.1 -41,-0.1 0.260 34.2 122.8 -95.9 12.9 -26.0 -35.1 3.4 44 202 A S - 0 0 60 -43,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.328 68.5-107.1 -76.9 153.7 -29.3 -34.8 1.5 45 203 A N - 0 0 159 -2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.625 34.3-127.2 -73.1 135.4 -29.6 -34.5 -2.3 46 204 A D - 0 0 42 -2,-0.3 2,-0.1 1,-0.1 5,-0.1 -0.646 33.8 -93.6 -83.6 145.7 -30.6 -31.0 -3.4 47 205 A S > - 0 0 37 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.347 22.4-140.1 -58.4 127.9 -33.6 -30.7 -5.6 48 206 A I T 3 S+ 0 0 128 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.599 102.6 62.7 -63.9 -9.5 -32.7 -30.6 -9.3 49 207 A Y T 3 S+ 0 0 107 1,-0.2 321,-2.7 320,-0.1 -1,-0.3 0.486 97.7 53.5 -94.5 -4.3 -35.4 -28.0 -9.7 50 208 A A S < S+ 0 0 5 -3,-1.7 -1,-0.2 319,-0.2 -2,-0.2 0.223 78.3 124.7-115.3 10.2 -33.7 -25.4 -7.4 51 209 A C + 0 0 45 -3,-0.3 320,-0.4 -4,-0.2 2,-0.3 -0.322 37.9 178.4 -55.2 151.0 -30.3 -25.5 -9.2 52 210 A T E -A 59 0A 2 7,-1.9 7,-3.0 9,-0.1 2,-0.3 -0.949 12.0-159.9-152.9 171.4 -29.2 -22.1 -10.3 53 211 A N E -A 58 0A 54 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.983 18.8-148.3-152.0 159.1 -26.3 -20.4 -12.1 54 212 A I E > S-A 57 0A 1 3,-2.7 3,-2.5 -2,-0.3 2,-0.1 -0.928 78.3 -52.8-129.6 108.4 -24.5 -17.2 -12.7 55 213 A K T 3 S- 0 0 75 -2,-0.4 -1,-0.1 1,-0.3 210,-0.0 -0.426 123.8 -20.9 55.8-130.2 -23.0 -17.2 -16.1 56 214 A H T 3 S+ 0 0 143 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.262 113.8 107.2 -94.2 12.7 -21.1 -20.4 -16.2 57 215 A L E < -A 54 0A 2 -3,-2.5 -3,-2.7 2,-0.0 2,-0.5 -0.845 60.3-154.1 -90.9 117.3 -20.8 -20.7 -12.5 58 216 A D E -A 53 0A 105 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.832 8.4-160.1-107.2 126.5 -23.2 -23.5 -11.4 59 217 A F E -A 52 0A 4 -7,-3.0 -7,-1.9 -2,-0.5 89,-0.1 -0.887 14.1-152.0-106.7 123.8 -24.8 -23.7 -7.9 60 218 A I S S+ 0 0 42 -2,-0.5 -10,-0.2 87,-0.4 -1,-0.1 0.766 89.0 4.5 -61.4 -27.9 -26.2 -27.1 -6.7 61 219 A N S S- 0 0 2 2,-0.1 -10,-0.1 -10,-0.1 -9,-0.1 -0.951 80.9-108.9-150.8 165.0 -28.7 -25.1 -4.6 62 220 A P S S+ 0 0 1 0, 0.0 275,-3.0 0, 0.0 2,-0.5 0.299 84.6 94.2 -85.1 15.1 -29.5 -21.4 -4.3 63 221 A F E +b 337 0B 0 20,-0.2 22,-2.8 273,-0.2 23,-0.9 -0.917 41.2 158.5-119.5 123.5 -28.1 -20.8 -0.8 64 222 A G E -bc 338 86B 0 273,-2.6 275,-2.7 -2,-0.5 2,-0.5 -0.789 41.1-104.3-124.8 171.4 -24.7 -19.6 0.3 65 223 A V E -bc 339 87B 0 21,-2.0 23,-2.4 -2,-0.3 275,-0.2 -0.882 40.0-124.3 -97.6 128.7 -23.0 -18.0 3.3 66 224 A A > - 0 0 3 273,-2.1 3,-1.0 -2,-0.5 4,-0.4 -0.061 33.5 -84.5 -65.3 166.1 -22.3 -14.2 3.0 67 225 A A T 3 S+ 0 0 11 1,-0.2 24,-0.3 2,-0.1 22,-0.2 -0.291 109.3 45.2 -67.7 158.9 -18.9 -12.5 3.5 68 226 A G T 3 S+ 0 0 13 22,-3.6 3,-0.4 20,-0.2 -1,-0.2 0.282 89.4 89.9 87.9 -18.3 -17.8 -11.7 7.1 69 227 A F S < S+ 0 0 24 -3,-1.0 2,-0.4 19,-0.4 -2,-0.1 0.922 105.5 14.9 -72.2 -47.7 -18.8 -15.1 8.5 70 228 A D S > S+ 0 0 2 -4,-0.4 20,-1.2 18,-0.4 3,-1.1 -0.718 75.4 170.2-129.5 77.6 -15.6 -16.8 7.9 71 229 A K T 3 S+ 0 0 33 -2,-0.4 -1,-0.1 -3,-0.4 20,-0.1 0.817 79.4 36.8 -60.7 -35.5 -13.3 -13.9 7.3 72 230 A N T 3 S- 0 0 34 -3,-0.1 -1,-0.3 18,-0.1 59,-0.1 0.314 104.5-118.9-105.7 10.0 -10.2 -16.0 7.4 73 231 A G S < S+ 0 0 2 -3,-1.1 3,-0.2 1,-0.1 62,-0.2 0.869 70.6 132.6 56.9 39.7 -11.4 -19.2 5.7 74 232 A V S S+ 0 0 49 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.660 74.4 33.8 -90.7 -19.8 -10.7 -21.3 8.8 75 233 A C S > S+ 0 0 4 1,-0.1 4,-1.7 2,-0.1 5,-0.2 0.019 74.5 127.1-123.4 23.4 -14.0 -23.1 8.8 76 234 A I H > S+ 0 0 1 -3,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 71.4 50.2 -60.2 -46.1 -15.0 -23.6 5.2 77 235 A D H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.946 112.5 47.0 -56.2 -52.9 -15.7 -27.3 5.0 78 236 A S H 4 S+ 0 0 8 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.852 112.7 48.1 -64.4 -38.8 -17.9 -27.4 8.0 79 237 A I H ><>S+ 0 0 11 -4,-1.7 3,-1.2 2,-0.2 5,-0.6 0.930 114.0 47.8 -64.3 -44.3 -20.0 -24.4 7.0 80 238 A L H >X5S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 4,-1.4 0.950 105.5 58.5 -61.1 -47.4 -20.4 -25.8 3.5 81 239 A K T 3<5S+ 0 0 14 -4,-3.0 -39,-3.1 1,-0.3 -1,-0.3 0.535 84.8 80.1 -65.4 -6.3 -21.4 -29.2 4.8 82 240 A L T <45S- 0 0 11 -3,-1.2 270,-0.4 -4,-0.4 -1,-0.3 0.537 127.5 -84.0 -70.2 -9.3 -24.3 -27.6 6.7 83 241 A G T <45S+ 0 0 6 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.562 86.7 135.9 115.5 13.4 -26.1 -27.7 3.3 84 242 A F << - 0 0 0 -4,-1.4 -1,-0.3 -5,-0.6 -20,-0.2 -0.693 46.9-149.6 -89.6 145.7 -24.9 -24.5 1.6 85 243 A S S S+ 0 0 1 -22,-2.8 64,-2.5 -2,-0.3 2,-0.3 0.740 77.4 6.3 -82.7 -26.7 -23.8 -24.5 -2.1 86 244 A F E -cd 64 149B 1 -23,-0.9 -21,-2.0 62,-0.2 2,-0.3 -0.981 55.1-153.1-152.1 164.4 -21.2 -21.8 -1.6 87 245 A I E -cd 65 150B 0 62,-2.0 64,-2.4 -2,-0.3 2,-0.7 -0.995 12.3-146.6-138.3 138.2 -19.4 -19.5 0.8 88 246 A E E - d 0 151B 0 -23,-2.4 -19,-0.4 -2,-0.3 -18,-0.4 -0.918 25.9-158.4-100.7 103.3 -17.9 -16.0 0.3 89 247 A I E - d 0 152B 0 62,-2.4 64,-2.9 -2,-0.7 -18,-0.2 -0.265 38.7 -4.8 -76.7 170.2 -14.8 -15.8 2.6 90 248 A G E - 0 0 0 -20,-1.2 -22,-3.6 1,-0.3 -20,-0.3 -0.474 36.5-136.2 86.2-165.1 -13.3 -12.5 3.7 91 249 A T E - 0 0 5 62,-0.3 -1,-0.3 -24,-0.3 2,-0.3 0.182 57.6-178.0 -71.3 134.9 -13.4 -9.7 3.5 92 250 A I E - d 0 154B 0 61,-2.4 63,-2.3 -3,-0.2 78,-0.1 -0.712 15.1-160.1-103.4 160.8 -9.7 -9.9 3.3 93 251 A T - 0 0 0 -2,-0.3 32,-2.2 61,-0.2 63,-0.1 -0.900 38.1 -99.9-132.7 158.2 -7.0 -7.2 3.0 94 252 A P S S+ 0 0 16 0, 0.0 32,-0.6 0, 0.0 2,-0.3 0.889 108.1 23.8 -49.3 -44.1 -3.3 -7.4 1.8 95 253 A R S S- 0 0 167 29,-0.2 29,-0.4 30,-0.1 27,-0.1 -0.884 98.6 -84.6-122.7 161.8 -2.2 -7.5 5.4 96 254 A G - 0 0 30 27,-0.6 2,-0.3 -2,-0.3 27,-0.2 -0.149 40.7-171.1 -56.7 147.6 -3.7 -8.5 8.7 97 255 A Q B -J 122 0C 29 25,-2.3 25,-1.6 23,-0.1 27,-0.1 -0.989 25.5-147.8-141.7 142.3 -5.8 -6.0 10.7 98 256 A T - 0 0 123 -2,-0.3 23,-0.2 23,-0.2 2,-0.1 0.754 41.4-147.4 -77.7 -25.8 -7.2 -6.2 14.2 99 257 A G - 0 0 12 21,-0.2 20,-0.3 20,-0.2 -1,-0.2 -0.336 38.8 -28.4 81.8-172.7 -10.3 -4.1 13.2 100 258 A N S S- 0 0 44 18,-2.1 4,-0.1 17,-0.3 17,-0.1 -0.110 84.0 -65.7 -72.2 170.6 -12.2 -1.7 15.5 101 259 A A - 0 0 86 1,-0.1 -1,-0.2 2,-0.1 16,-0.1 -0.303 68.4 -86.5 -61.0 133.2 -12.5 -1.8 19.3 102 260 A K S S+ 0 0 136 -3,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.568 104.3 53.3 -81.1 150.2 -14.4 -4.8 20.9 103 261 A P + 0 0 76 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.594 68.2 145.7 -73.4 150.0 -17.2 -5.3 21.6 104 262 A R + 0 0 14 1,-0.2 13,-2.6 -2,-0.1 2,-0.4 0.230 49.5 67.5-142.6 8.5 -18.2 -4.6 18.0 105 263 A I E +K 116 0D 26 11,-0.2 -82,-0.4 12,-0.1 -81,-0.4 -0.974 56.5 176.1-133.6 122.8 -21.1 -7.0 17.2 106 264 A F E -K 115 0D 55 9,-2.7 9,-2.7 -2,-0.4 2,-0.3 -0.988 12.6-153.1-128.1 138.2 -24.5 -6.6 19.0 107 265 A R E -K 114 0D 61 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.780 9.4-158.3-107.5 151.0 -27.7 -8.6 18.4 108 266 A D E >> -K 113 0D 38 5,-3.0 5,-1.8 -2,-0.3 4,-1.0 -0.862 9.4-167.5-126.4 96.5 -31.4 -7.7 18.9 109 267 A V T 45S+ 0 0 84 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.834 81.0 53.3 -52.1 -41.8 -33.3 -11.0 19.2 110 268 A E T 45S+ 0 0 175 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.869 117.9 34.0 -72.1 -38.5 -36.8 -9.6 18.9 111 269 A S T 45S- 0 0 26 -3,-0.4 180,-0.3 2,-0.1 181,-0.3 0.489 106.2-130.3 -85.1 -4.5 -36.2 -7.7 15.7 112 270 A R T <5 + 0 0 97 -4,-1.0 179,-2.1 -3,-0.3 2,-0.3 0.928 62.1 137.0 50.1 51.2 -33.8 -10.5 14.6 113 271 A S E < -KL 108 290D 0 -5,-1.8 -5,-3.0 177,-0.2 2,-0.3 -0.835 41.7-157.0-126.0 160.4 -31.2 -7.9 13.7 114 272 A I E -KL 107 289D 8 175,-1.8 175,-3.0 -2,-0.3 2,-0.4 -0.970 1.0-162.3-133.2 146.1 -27.5 -7.3 14.2 115 273 A I E +KL 106 288D 10 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.3 -0.991 18.5 176.8-124.9 140.6 -25.3 -4.2 14.2 116 274 A N E -KL 105 287D 32 171,-1.7 171,-2.0 -2,-0.4 -11,-0.2 -0.992 30.6-178.9-142.2 152.3 -21.6 -4.5 13.7 117 275 A S + 0 0 14 -13,-2.6 -17,-0.3 -2,-0.3 -12,-0.1 -0.406 32.2 146.5-139.6 56.0 -18.5 -2.2 13.4 118 276 A C - 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0 0 108 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.837 61.5 -68.3 59.9 37.8 -31.9 -3.9 -18.0 310 498 A K T 3 S- 0 0 34 1,-0.1 4,-2.2 35,-0.1 -1,-0.2 -0.674 81.5-109.8-116.2 165.5 -37.5 -18.2 5.3 323 511 A G H > S+ 0 0 0 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.869 122.7 53.7 -56.1 -38.8 -38.3 -19.8 2.0 324 512 A L H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 105.4 51.7 -63.4 -45.9 -40.7 -17.0 1.4 325 513 A D H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.909 111.1 49.7 -51.8 -46.0 -37.9 -14.4 2.0 326 514 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 110.1 48.6 -62.8 -47.2 -35.8 -16.3 -0.5 327 515 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.863 108.0 55.1 -62.7 -39.1 -38.6 -16.3 -3.2 328 516 A E H X S+ 0 0 60 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.942 110.0 46.5 -56.5 -48.5 -39.2 -12.6 -2.7 329 517 A K H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 4,-0.4 0.900 114.8 48.1 -59.0 -41.1 -35.5 -12.0 -3.4 330 518 A I H ><5S+ 0 0 0 -4,-2.2 45,-2.4 1,-0.2 3,-1.4 0.924 109.7 49.7 -69.1 -46.7 -35.7 -14.3 -6.4 331 519 A E H 3<5S+ 0 0 29 -4,-3.4 46,-1.9 1,-0.3 47,-0.5 0.744 106.2 58.4 -66.5 -22.1 -38.8 -12.8 -7.9 332 520 A A T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.623 135.9 -82.9 -78.3 -14.9 -37.2 -9.3 -7.5 333 521 A G T < 5S+ 0 0 2 -3,-1.4 -19,-0.6 -4,-0.4 2,-0.3 0.515 81.7 136.3 129.3 8.2 -34.3 -10.5 -9.7 334 522 A A E < - i 0 314B 0 -5,-1.9 -1,-0.3 -6,-0.1 -19,-0.2 -0.654 33.3-166.5 -88.2 139.9 -31.8 -12.5 -7.7 335 523 A S E S+ 0 0 13 -21,-2.5 2,-0.3 -2,-0.3 -20,-0.2 0.733 76.8 16.2 -89.4 -29.9 -30.3 -15.8 -9.0 336 524 A V E S- i 0 315B 0 -22,-1.1 -20,-2.6 -7,-0.1 2,-0.4 -0.933 70.8-135.6-144.2 160.9 -28.8 -16.9 -5.7 337 525 A C E -bi 63 316B 0 -275,-3.0 -273,-2.6 -2,-0.3 2,-0.4 -0.945 6.1-153.3-125.6 142.9 -29.2 -16.0 -2.0 338 526 A Q E -b 64 0B 1 -22,-2.5 2,-0.3 -2,-0.4 -18,-0.3 -0.955 11.0-156.2-115.1 137.5 -26.7 -15.4 0.9 339 527 A L E +b 65 0B 1 -275,-2.7 -273,-2.1 -2,-0.4 -18,-0.1 -0.828 32.1 137.7-109.0 143.5 -27.4 -16.0 4.5 340 528 A Y S >> S+ 0 0 61 -2,-0.3 4,-0.9 -20,-0.3 3,-0.9 0.273 76.7 38.9-137.6 -66.1 -25.8 -14.4 7.6 341 529 A S H >> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.853 107.4 66.7 -61.5 -38.7 -28.2 -13.3 10.3 342 530 A C H 3>>S+ 0 0 2 -22,-0.4 4,-2.7 1,-0.2 5,-0.5 0.860 99.5 51.0 -50.7 -39.5 -30.3 -16.4 9.8 343 531 A L H <>5S+ 0 0 14 -3,-0.9 4,-0.8 3,-0.2 -1,-0.2 0.822 109.0 51.9 -68.6 -31.7 -27.4 -18.6 11.0 344 532 A V H <<5S+ 0 0 30 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.920 123.7 25.9 -69.6 -45.0 -27.1 -16.4 14.2 345 533 A F H <5S+ 0 0 13 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.799 132.1 34.1 -92.1 -33.5 -30.8 -16.6 15.1 346 534 A N H ><5S- 0 0 29 -4,-2.7 3,-0.6 -5,-0.3 -3,-0.2 0.589 93.0-163.4-101.9 -16.1 -31.9 -19.9 13.5 347 535 A G G ><< - 0 0 1 -4,-0.8 3,-1.8 -5,-0.5 -1,-0.2 -0.254 49.4 -7.1 78.4-151.3 -28.7 -22.0 13.9 348 536 A M G 3 S+ 0 0 12 1,-0.3 4,-0.3 -341,-0.3 3,-0.3 0.635 125.8 59.0 -62.6 -21.0 -27.5 -25.3 12.3 349 537 A K G <> S+ 0 0 64 -3,-0.6 4,-3.0 1,-0.2 5,-0.4 0.391 72.6 106.5 -91.7 -0.2 -30.8 -26.0 10.5 350 538 A S H <> S+ 0 0 3 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.879 84.5 37.0 -50.3 -50.5 -30.8 -22.8 8.5 351 539 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 -269,-0.2 5,-0.2 0.917 117.7 49.9 -74.0 -44.1 -29.8 -24.3 5.1 352 540 A V H > S+ 0 0 7 -270,-0.4 4,-1.9 -4,-0.3 -2,-0.2 0.951 117.1 41.5 -56.6 -49.9 -31.8 -27.5 5.5 353 541 A Q H X S+ 0 0 60 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.925 114.0 49.3 -67.3 -47.5 -35.0 -25.7 6.5 354 542 A I H X S+ 0 0 2 -4,-2.3 4,-2.0 -5,-0.4 -1,-0.2 0.838 110.6 51.5 -65.5 -31.5 -34.8 -22.8 4.0 355 543 A K H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.923 112.3 45.7 -69.6 -47.0 -34.2 -25.2 1.1 356 544 A R H X S+ 0 0 82 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.955 112.7 51.2 -56.5 -53.6 -37.2 -27.3 2.1 357 545 A E H X S+ 0 0 69 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.886 112.7 45.5 -51.6 -44.8 -39.3 -24.2 2.5 358 546 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.905 110.5 52.7 -70.9 -41.8 -38.3 -22.8 -0.9 359 547 A N H X S+ 0 0 50 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.920 112.7 45.2 -54.6 -47.4 -38.9 -26.2 -2.7 360 548 A H H X S+ 0 0 111 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.883 115.4 47.8 -65.1 -40.3 -42.4 -26.4 -1.3 361 549 A L H < S+ 0 0 28 -4,-1.9 -2,-0.2 -5,-0.3 6,-0.2 0.830 108.5 53.0 -70.8 -36.2 -43.1 -22.8 -2.1 362 550 A L H ><>S+ 0 0 8 -4,-2.9 5,-1.0 2,-0.2 3,-0.6 0.852 113.0 46.6 -65.5 -35.5 -41.8 -23.1 -5.7 363 551 A Y H ><5S+ 0 0 191 -4,-1.7 3,-1.9 -5,-0.2 -2,-0.2 0.951 108.5 52.6 -69.3 -52.8 -44.1 -26.0 -6.1 364 552 A Q T 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.255 107.9 54.7 -72.8 13.5 -47.2 -24.4 -4.6 365 553 A R T < 5S- 0 0 128 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.189 114.4-110.3-128.6 11.8 -46.7 -21.4 -7.0 366 554 A G T < 5 + 0 0 66 -3,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.300 66.8 145.7 81.0 -9.2 -46.7 -23.3 -10.3 367 555 A Y < - 0 0 36 -5,-1.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.427 39.8-156.6 -64.8 129.8 -43.0 -22.8 -11.0 368 556 A Y S S- 0 0 157 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.843 76.7 -7.0 -74.8 -36.9 -41.4 -25.7 -12.8 369 557 A N S S- 0 0 42 -7,-0.1 4,-0.5 1,-0.1 3,-0.4 -0.922 75.7 -98.9-148.8 175.5 -37.9 -24.7 -11.5 370 558 A L S >> S+ 0 0 0 -321,-2.7 3,-1.8 -2,-0.3 4,-0.7 0.888 115.8 61.7 -65.0 -42.4 -36.1 -21.9 -9.7 371 559 A K G >4 S+ 0 0 89 -320,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.789 95.8 62.5 -58.0 -29.4 -34.8 -20.2 -12.8 372 560 A E G 34 S+ 0 0 100 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.794 101.7 52.3 -62.4 -30.2 -38.4 -19.7 -14.0 373 561 A A G X4 S+ 0 0 0 -3,-1.8 3,-1.6 -4,-0.5 4,-0.3 0.634 77.9 117.2 -85.4 -16.7 -39.0 -17.4 -10.9 374 562 A I T << S- 0 0 38 -4,-0.7 -43,-0.2 -3,-0.6 -44,-0.1 -0.366 94.9 -11.0 -61.6 118.4 -36.1 -15.0 -11.4 375 563 A G T > S+ 0 0 7 -45,-2.4 3,-1.4 -2,-0.2 -1,-0.3 0.473 93.0 131.2 75.2 6.1 -37.3 -11.5 -12.0 376 564 A R T < + 0 0 158 -3,-1.6 -44,-0.1 1,-0.3 -2,-0.1 0.705 55.5 72.9 -68.5 -22.5 -40.9 -12.6 -12.4 377 565 A K T 3 0 0 155 -46,-1.9 -1,-0.3 -4,-0.3 -45,-0.1 0.766 360.0 360.0 -61.7 -26.7 -42.3 -10.0 -10.0 378 566 A H < 0 0 80 -3,-1.4 -1,-0.1 -47,-0.5 -46,-0.0 -0.608 360.0 360.0 -72.7 360.0 -41.6 -7.3 -12.6