==== 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 07-JUL-09 3I6R . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE HOMOLOG, . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR X.DENG,M.A.PHILLIPS . 376 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 9.8 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 . 21 5.6 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 33.2 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 0 1 1 0 0 0 1 0 1 1 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 1 161 A Y 0 0 234 0, 0.0 3,-0.1 0, 0.0 346,-0.0 0.000 360.0 360.0 360.0-173.2 -12.3 46.0 10.4 2 162 A N > - 0 0 42 1,-0.1 4,-1.5 36,-0.0 5,-0.1 -0.992 360.0-126.9-146.9 155.5 -14.4 44.5 13.1 3 163 A P H > S+ 0 0 88 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.890 111.3 65.8 -62.7 -40.1 -14.7 43.9 16.8 4 164 A E H > S+ 0 0 99 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.941 104.4 42.4 -48.3 -53.0 -15.2 40.3 16.0 5 165 A F H > S+ 0 0 20 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.857 115.0 52.5 -60.6 -36.6 -11.6 40.2 14.7 6 166 A F H X S+ 0 0 146 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.960 108.7 47.4 -65.2 -54.3 -10.4 42.2 17.7 7 167 A L H X S+ 0 0 122 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.878 114.2 48.3 -53.8 -43.7 -12.0 40.0 20.3 8 168 A Y H X S+ 0 0 45 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.829 107.2 54.1 -70.5 -33.7 -10.6 36.9 18.6 9 169 A D H X S+ 0 0 15 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.864 109.4 48.0 -72.1 -35.1 -7.0 38.2 18.3 10 170 A I H X S+ 0 0 102 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.963 114.1 48.5 -58.6 -55.1 -6.9 39.0 22.0 11 171 A F H X S+ 0 0 93 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.878 114.0 45.9 -49.4 -47.1 -8.2 35.5 22.6 12 172 A L H X S+ 0 0 19 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.886 109.6 52.3 -69.7 -41.8 -5.6 34.0 20.2 13 173 A K H X S+ 0 0 116 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.837 110.1 51.6 -63.2 -33.9 -2.7 36.0 21.6 14 174 A F H >X S+ 0 0 113 -4,-2.2 4,-2.0 2,-0.2 3,-0.6 0.955 110.3 46.7 -62.5 -53.6 -3.8 34.6 25.1 15 175 A C H 3X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.3 -2,-0.2 0.887 108.6 57.5 -55.6 -41.0 -3.8 31.1 23.8 16 176 A L H 3< S+ 0 0 24 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.848 109.2 45.5 -56.6 -37.8 -0.4 31.8 22.2 17 177 A K H << S+ 0 0 155 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.910 129.7 15.5 -73.6 -43.8 1.0 32.7 25.6 18 178 A Y H < S+ 0 0 148 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.873 105.6 72.1-103.4 -47.7 -0.4 29.8 27.7 19 179 A I S < S- 0 0 66 -4,-1.5 5,-0.0 -5,-0.3 2,-0.0 -0.420 82.1 -97.0 -88.6 149.2 -1.7 26.8 25.7 20 180 A D > - 0 0 64 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.324 36.7-121.9 -53.4 140.2 0.1 24.1 23.7 21 181 A G H > S+ 0 0 9 82,-0.4 4,-2.6 1,-0.2 5,-0.2 0.904 109.0 47.1 -57.2 -51.1 0.2 24.9 19.9 22 182 A E H > S+ 0 0 14 81,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.849 111.3 53.0 -64.4 -34.1 -1.5 21.8 18.6 23 183 A I H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 110.0 48.7 -64.3 -40.9 -4.3 22.3 21.3 24 184 A C H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.955 109.3 52.1 -61.3 -51.7 -4.8 25.9 20.1 25 185 A H H X S+ 0 0 33 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 110.8 47.4 -50.3 -50.0 -4.9 24.9 16.4 26 186 A D H X S+ 0 0 72 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.838 109.0 54.0 -65.2 -37.1 -7.6 22.3 17.2 27 187 A L H X S+ 0 0 64 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.913 112.6 43.6 -62.2 -45.1 -9.7 24.7 19.3 28 188 A F H X S+ 0 0 27 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.869 111.9 52.5 -71.1 -36.0 -9.7 27.2 16.4 29 189 A L H X S+ 0 0 24 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.890 111.5 50.1 -58.5 -38.6 -10.4 24.5 13.9 30 190 A L H X S+ 0 0 84 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.862 107.4 50.6 -71.6 -38.3 -13.3 23.6 16.2 31 191 A L H <>S+ 0 0 28 -4,-2.2 5,-2.2 1,-0.2 6,-0.4 0.886 111.9 50.1 -63.5 -39.7 -14.7 27.1 16.4 32 192 A G H ><5S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.868 105.7 54.8 -63.1 -40.2 -14.6 27.2 12.7 33 193 A K H 3<5S+ 0 0 120 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.851 110.4 46.7 -62.6 -39.1 -16.4 23.9 12.4 34 194 A Y T 3<5S- 0 0 147 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.425 113.4-125.2 -85.5 -2.5 -19.1 25.4 14.5 35 195 A N T < 5S+ 0 0 75 -3,-1.1 -3,-0.2 -4,-0.1 -2,-0.1 0.789 71.4 127.8 61.7 33.8 -19.0 28.5 12.4 36 196 A I < + 0 0 85 -5,-2.2 -4,-0.2 2,-0.1 -1,-0.1 0.357 43.2 107.6 -92.0 -2.2 -18.5 31.0 15.1 37 197 A L S S- 0 0 18 -6,-0.4 2,-0.1 -5,-0.1 -32,-0.1 -0.468 76.4 -96.6 -70.8 149.5 -15.5 32.5 13.4 38 198 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.373 33.1-134.7 -67.7 145.8 -15.6 36.0 11.7 39 199 A Y - 0 0 75 -2,-0.1 2,-0.8 41,-0.1 41,-0.2 -0.844 5.7-145.8-106.0 139.8 -16.2 36.6 8.0 40 200 A D + 0 0 24 39,-2.9 41,-0.1 -2,-0.4 307,-0.0 -0.889 25.1 170.9 -93.7 101.3 -14.4 38.9 5.5 41 201 A T + 0 0 105 -2,-0.8 -1,-0.1 39,-0.1 2,-0.1 0.311 32.4 126.0 -96.5 10.3 -17.3 40.0 3.3 42 202 A S - 0 0 66 1,-0.1 2,-0.3 -3,-0.0 -2,-0.1 -0.366 67.2-110.8 -72.3 143.7 -15.3 42.6 1.4 43 203 A N - 0 0 161 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.588 36.3-123.5 -67.2 130.0 -15.0 42.7 -2.4 44 204 A D - 0 0 36 -2,-0.3 2,-0.2 1,-0.1 5,-0.1 -0.544 32.5 -94.6 -76.8 145.4 -11.5 41.8 -3.4 45 205 A S > - 0 0 40 -2,-0.2 3,-1.7 1,-0.2 -1,-0.1 -0.405 24.4-145.4 -60.9 126.2 -9.6 44.3 -5.6 46 206 A I G > S+ 0 0 127 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.676 99.5 63.7 -68.5 -16.1 -10.1 43.4 -9.3 47 207 A Y G 3 S+ 0 0 116 1,-0.2 321,-2.0 320,-0.1 -1,-0.3 0.361 98.2 56.4 -86.3 3.7 -6.5 44.6 -9.9 48 208 A A G < S+ 0 0 4 -3,-1.7 -1,-0.2 319,-0.2 -2,-0.2 0.157 77.2 127.9-122.8 14.3 -5.2 41.9 -7.6 49 209 A C < - 0 0 48 -3,-0.7 320,-0.3 10,-0.1 2,-0.3 -0.271 34.1-179.4 -56.8 153.4 -6.7 38.9 -9.4 50 210 A T E -A 57 0A 2 7,-1.7 7,-2.8 9,-0.1 2,-0.3 -0.966 8.8-167.3-152.9 170.3 -4.4 36.1 -10.4 51 211 A N E -A 56 0A 50 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.988 21.0-147.5-154.4 154.8 -4.5 32.8 -12.1 52 212 A I E > S-A 55 0A 1 3,-2.4 3,-1.6 -2,-0.3 211,-0.1 -0.960 79.2 -49.9-128.1 113.3 -2.6 29.5 -12.8 53 213 A K T 3 S- 0 0 73 -2,-0.4 -1,-0.1 1,-0.2 210,-0.0 -0.344 123.9 -21.5 49.9-135.3 -3.4 28.3 -16.3 54 214 A H T 3 S+ 0 0 153 -3,-0.1 2,-0.5 2,-0.1 -1,-0.2 -0.047 114.4 108.5 -91.2 33.0 -7.3 28.4 -16.5 55 215 A L E < -A 52 0A 2 -3,-1.6 -3,-2.4 2,-0.0 2,-0.5 -0.963 59.6-152.6-109.0 120.6 -7.5 28.2 -12.7 56 216 A D E -A 51 0A 101 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.845 11.3-162.5-113.2 126.3 -8.8 31.6 -11.3 57 217 A F E -A 50 0A 4 -7,-2.8 -7,-1.7 -2,-0.5 89,-0.1 -0.891 14.7-151.9-108.5 121.5 -8.1 33.2 -7.9 58 218 A I S S+ 0 0 51 -2,-0.5 -10,-0.2 87,-0.4 -1,-0.1 0.736 88.8 5.4 -62.5 -23.2 -10.3 36.0 -6.7 59 219 A N S S- 0 0 3 2,-0.1 -10,-0.1 -9,-0.1 -9,-0.1 -0.963 80.2-109.2-153.6 163.2 -7.3 37.2 -4.7 60 220 A P S S+ 0 0 1 0, 0.0 275,-3.2 0, 0.0 2,-0.5 0.302 85.4 92.5 -81.6 11.8 -3.6 36.1 -4.3 61 221 A F E +b 335 0B 0 273,-0.2 22,-3.1 20,-0.2 23,-0.9 -0.917 41.1 151.9-119.9 130.5 -3.9 34.6 -0.8 62 222 A G E -bc 336 84B 0 273,-2.0 275,-3.0 -2,-0.5 2,-0.5 -0.910 44.4 -99.4-139.4 169.1 -4.6 31.1 0.4 63 223 A V E -bc 337 85B 0 21,-2.1 23,-2.2 -2,-0.3 275,-0.2 -0.815 41.2-127.7 -94.4 128.6 -3.9 28.8 3.3 64 224 A A > - 0 0 2 273,-1.0 3,-0.9 -2,-0.5 4,-0.3 -0.134 34.8 -78.9 -69.0 166.1 -1.1 26.3 2.9 65 225 A A T 3 S+ 0 0 10 1,-0.2 24,-0.3 2,-0.1 22,-0.2 -0.240 109.1 45.6 -62.4 153.0 -1.3 22.6 3.4 66 226 A G T 3 S+ 0 0 13 22,-3.2 3,-0.3 20,-0.3 -1,-0.2 0.305 90.2 88.1 95.3 -6.6 -1.1 21.1 6.9 67 227 A F S < S+ 0 0 26 -3,-0.9 2,-0.3 19,-0.4 -2,-0.1 0.915 104.2 17.5 -89.3 -53.6 -3.5 23.6 8.4 68 228 A D S > S+ 0 0 1 -4,-0.3 3,-1.6 18,-0.3 20,-0.9 -0.573 76.0 168.6-116.9 68.5 -6.7 21.8 7.7 69 229 A K T 3 S+ 0 0 30 -2,-0.3 20,-0.2 -3,-0.3 -1,-0.1 0.716 79.1 34.9 -49.1 -29.7 -5.3 18.3 7.2 70 230 A N T 3 S- 0 0 33 -3,-0.1 -1,-0.3 18,-0.1 59,-0.2 0.340 104.9-118.3-115.4 5.0 -8.7 16.7 7.3 71 231 A G < + 0 0 1 -3,-1.6 3,-0.3 17,-0.1 62,-0.1 0.863 69.0 135.8 60.5 40.2 -11.0 19.3 5.7 72 232 A V S S+ 0 0 44 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.651 75.3 30.6 -86.5 -13.8 -13.0 19.8 8.9 73 233 A C S > S+ 0 0 4 1,-0.1 4,-1.8 -5,-0.1 5,-0.2 -0.117 72.8 127.9-144.7 30.1 -13.1 23.5 8.7 74 234 A I H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 5,-0.3 0.901 71.6 53.6 -65.3 -43.1 -12.9 24.7 5.1 75 235 A D H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 112.5 43.8 -61.2 -45.2 -15.8 27.0 4.9 76 236 A S H 4 S+ 0 0 4 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.902 112.6 49.6 -69.1 -44.4 -14.7 29.1 7.9 77 237 A I H ><>S+ 0 0 7 -4,-1.8 3,-1.1 1,-0.2 5,-0.5 0.922 113.0 48.3 -61.6 -43.3 -11.0 29.4 6.9 78 238 A L H >X5S+ 0 0 1 -4,-2.1 3,-2.1 1,-0.2 4,-1.8 0.938 106.1 57.7 -59.6 -46.7 -12.0 30.4 3.4 79 239 A K T 3<5S+ 0 0 14 -4,-2.2 -39,-2.9 1,-0.3 -1,-0.2 0.525 83.5 80.8 -66.9 -5.8 -14.4 33.0 4.8 80 240 A L T <45S- 0 0 10 -3,-1.1 270,-0.4 -4,-0.5 -1,-0.3 0.558 129.4 -87.5 -69.8 -7.1 -11.5 34.7 6.7 81 241 A G T <45S+ 0 0 6 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.628 84.4 140.5 110.7 20.7 -10.9 36.2 3.2 82 242 A F << - 0 0 1 -4,-1.8 -1,-0.3 -5,-0.5 -20,-0.2 -0.710 45.6-149.2 -91.0 146.2 -8.7 33.6 1.5 83 243 A S S S+ 0 0 1 -22,-3.1 64,-2.6 -2,-0.3 2,-0.3 0.753 78.3 9.1 -82.4 -27.5 -9.2 32.7 -2.1 84 244 A F E -cd 62 147B 1 -23,-0.9 -21,-2.1 62,-0.2 2,-0.3 -0.986 55.7-154.4-152.3 162.0 -8.1 29.1 -1.6 85 245 A I E -cd 63 148B 1 62,-1.9 64,-2.5 -2,-0.3 2,-0.7 -0.994 11.9-147.5-136.0 141.0 -7.1 26.4 0.8 86 246 A E E - d 0 149B 0 -23,-2.2 -19,-0.4 -2,-0.3 -20,-0.3 -0.857 23.5-159.9-108.5 95.5 -4.8 23.4 0.3 87 247 A I E - d 0 150B 0 62,-2.0 64,-3.0 -2,-0.7 -18,-0.2 -0.200 39.6 -4.7 -70.4 167.2 -6.2 20.6 2.5 88 248 A G E - 0 0 0 -20,-0.9 -22,-3.2 1,-0.3 -20,-0.2 -0.503 34.8-137.7 89.0-165.9 -4.1 17.6 3.6 89 249 A T E - 0 0 5 62,-0.4 -1,-0.3 -24,-0.3 2,-0.3 0.212 59.6-175.1 -69.5 136.5 -1.5 16.3 3.4 90 250 A I E - d 0 152B 0 61,-2.4 63,-3.0 -3,-0.2 78,-0.1 -0.683 15.0-159.3-105.8 159.1 -3.7 13.3 3.2 91 251 A T - 0 0 0 -2,-0.3 32,-2.0 61,-0.2 63,-0.1 -0.887 32.0-114.5-132.6 157.4 -2.8 9.6 3.1 92 252 A P S S+ 0 0 17 0, 0.0 32,-0.5 0, 0.0 2,-0.4 0.887 107.2 39.4 -62.1 -39.5 -4.8 6.6 1.9 93 253 A R S S- 0 0 120 29,-0.2 29,-0.3 30,-0.1 27,-0.0 -0.919 96.4-110.0-115.7 134.9 -4.8 5.3 5.5 94 254 A G - 0 0 47 27,-0.5 2,-0.4 -2,-0.4 27,-0.2 -0.333 36.2-163.8 -63.9 142.6 -5.2 7.5 8.5 95 255 A Q B -J 120 0C 31 25,-1.9 25,-1.7 23,-0.2 27,-0.1 -0.977 29.0-142.8-131.0 147.2 -2.3 7.9 10.7 96 256 A T - 0 0 121 -2,-0.4 23,-0.2 23,-0.2 -1,-0.1 0.795 45.2-149.8 -65.3 -35.5 -1.7 9.1 14.2 97 257 A G - 0 0 8 21,-0.2 20,-0.3 20,-0.1 -1,-0.2 -0.279 39.1 -28.0 80.2-173.6 1.6 10.8 13.2 98 258 A N S S- 0 0 42 18,-2.2 4,-0.1 17,-0.2 2,-0.1 -0.045 84.5 -69.0 -66.0 171.6 4.6 11.3 15.4 99 259 A A - 0 0 85 2,-0.1 -1,-0.2 1,-0.1 16,-0.1 -0.338 66.6 -82.1 -68.5 139.2 4.5 11.6 19.3 100 260 A K S S+ 0 0 142 -3,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.623 105.3 52.4 -84.6 145.1 3.0 14.7 20.9 101 261 A P + 0 0 77 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.455 67.0 144.5 -81.7 145.4 4.0 17.4 21.5 102 262 A R + 0 0 12 1,-0.1 13,-2.2 -2,-0.1 2,-0.4 0.224 49.7 70.9-137.2 8.3 5.1 18.0 17.9 103 263 A I E +K 114 0D 26 11,-0.2 -82,-0.4 12,-0.1 2,-0.4 -0.987 56.2 176.5-127.2 124.5 4.5 21.7 17.2 104 264 A F E -K 113 0D 57 9,-2.7 9,-2.6 -2,-0.4 2,-0.2 -0.994 10.5-157.5-130.5 132.5 6.7 24.3 18.9 105 265 A R E -K 112 0D 60 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.678 11.1-159.5-103.4 155.9 6.6 28.1 18.4 106 266 A D E > -K 111 0D 29 5,-2.4 5,-1.9 -2,-0.2 4,-0.5 -0.858 6.7-171.7-132.4 101.6 9.1 30.9 18.9 107 267 A V T > 5S+ 0 0 87 -2,-0.4 3,-1.2 1,-0.2 -1,-0.1 0.886 80.3 60.8 -59.1 -44.0 7.3 34.2 19.2 108 268 A E T 3 5S+ 0 0 175 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.878 118.4 28.5 -55.1 -44.1 10.5 36.3 19.2 109 269 A S T 3 5S- 0 0 26 -3,-0.3 181,-0.3 2,-0.1 180,-0.3 0.330 105.7-125.9 -97.7 5.7 11.5 35.1 15.7 110 270 A R T < 5 + 0 0 97 -3,-1.2 179,-2.1 -4,-0.5 2,-0.3 0.954 64.9 136.4 43.9 61.9 7.9 34.5 14.6 111 271 A S E < -KL 106 288D 0 -5,-1.9 -5,-2.4 177,-0.2 2,-0.3 -0.960 42.3-154.4-140.7 152.2 8.8 30.9 13.7 112 272 A I E -KL 105 287D 9 175,-1.9 175,-3.9 -2,-0.3 2,-0.4 -0.951 1.4-164.8-127.1 145.1 7.5 27.4 14.0 113 273 A I E +KL 104 286D 10 -9,-2.6 -9,-2.7 -2,-0.3 2,-0.3 -0.982 19.5 175.0-122.4 144.0 9.1 23.9 14.1 114 274 A N E -KL 103 285D 33 171,-1.7 171,-1.8 -2,-0.4 -11,-0.2 -0.989 32.6-178.3-145.7 154.9 7.1 20.7 13.6 115 275 A S + 0 0 16 -13,-2.2 -17,-0.2 -2,-0.3 -12,-0.1 -0.433 31.7 146.1-144.3 62.3 7.3 17.0 13.2 116 276 A C - 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0 0 99 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.668 59.6 -71.0 65.3 17.3 12.5 29.4 -18.1 308 498 A K T 3 S- 0 0 31 1,-0.1 4,-2.1 35,-0.0 5,-0.1 -0.696 82.8-107.5-119.8 170.1 3.2 41.5 5.2 321 511 A G H > S+ 0 0 2 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 123.8 54.6 -59.0 -37.5 2.1 43.0 1.9 322 512 A L H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 105.9 49.4 -59.7 -51.6 5.9 43.6 1.4 323 513 A D H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.883 111.9 50.8 -54.9 -41.9 6.7 40.0 2.0 324 514 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 109.1 48.6 -62.9 -48.2 4.1 39.1 -0.5 325 515 A L H X S+ 0 0 2 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.876 107.0 57.2 -61.6 -38.8 5.4 41.4 -3.2 326 516 A E H X S+ 0 0 66 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.877 109.9 44.8 -58.9 -39.3 8.9 40.1 -2.7 327 517 A K H X>S+ 0 0 0 -4,-1.5 5,-1.8 -3,-0.2 4,-0.7 0.888 114.0 50.1 -69.7 -39.9 7.6 36.6 -3.5 328 518 A I H ><5S+ 0 0 0 -4,-2.2 45,-2.4 1,-0.2 3,-0.9 0.918 109.8 48.0 -67.2 -46.4 5.6 38.0 -6.5 329 519 A E H 3<5S+ 0 0 22 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.723 105.9 60.9 -66.3 -22.3 8.5 39.9 -8.0 330 520 A A H 3<5S- 0 0 3 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.722 135.4 -83.4 -75.4 -22.6 10.6 36.7 -7.6 331 521 A G T <<5S+ 0 0 1 -3,-0.9 -19,-0.5 -4,-0.7 2,-0.3 0.498 81.9 138.9 132.3 14.1 8.2 34.8 -9.8 332 522 A A < - 0 0 0 -5,-1.8 -1,-0.3 1,-0.1 -19,-0.2 -0.695 31.6-169.8 -91.8 137.8 5.2 33.7 -7.7 333 523 A S S S+ 0 0 14 -21,-2.7 2,-0.3 -2,-0.3 -20,-0.2 0.878 74.9 17.1 -87.2 -45.3 1.7 33.9 -9.0 334 524 A V E S- i 0 313B 0 -22,-1.1 -20,-2.8 -7,-0.1 2,-0.4 -0.857 70.3-137.0-127.0 161.3 -0.1 33.2 -5.7 335 525 A C E -bi 61 314B 0 -275,-3.2 -273,-2.0 -2,-0.3 2,-0.4 -0.926 7.5-158.5-121.1 147.5 0.8 33.2 -2.0 336 526 A Q E -b 62 0B 0 -22,-2.1 2,-0.5 -2,-0.4 -18,-0.3 -0.964 9.3-157.1-121.7 137.2 0.1 30.7 0.8 337 527 A L E +b 63 0B 2 -275,-3.0 -273,-1.0 -2,-0.4 -18,-0.1 -0.948 30.4 143.9-116.6 128.5 0.2 31.6 4.4 338 528 A Y S >> S+ 0 0 55 -2,-0.5 4,-1.0 -275,-0.2 3,-0.6 0.579 77.1 39.4-111.8 -56.5 0.6 29.3 7.4 339 529 A S H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.790 106.4 64.5 -63.5 -33.1 2.7 31.0 10.1 340 530 A C H 3>>S+ 0 0 3 -22,-0.3 4,-3.2 1,-0.3 5,-0.6 0.892 99.8 54.7 -61.3 -39.9 1.1 34.4 9.7 341 531 A L H <>5S+ 0 0 12 -3,-0.6 4,-1.0 2,-0.2 -1,-0.3 0.876 108.8 46.8 -63.2 -38.3 -2.1 32.9 10.8 342 532 A V H <5S+ 0 0 32 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.949 122.2 35.6 -70.8 -43.6 -0.6 31.6 14.0 343 533 A F H <5S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.763 130.3 26.4 -65.1 -40.5 1.1 34.8 14.7 344 534 A N H ><5S- 0 0 30 -4,-3.2 3,-0.6 -5,-0.2 -3,-0.2 0.531 94.5-157.2-112.7 -12.9 -1.3 37.5 13.5 345 535 A G G ><< - 0 0 1 -4,-1.0 3,-2.2 -5,-0.6 -1,-0.2 -0.156 51.5 -6.6 77.3-161.4 -4.6 35.6 13.8 346 536 A M G 3 S+ 0 0 10 1,-0.3 4,-0.3 -341,-0.2 3,-0.3 0.579 126.0 58.3 -43.8 -24.3 -8.0 36.0 12.2 347 537 A K G <> S+ 0 0 52 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.485 71.5 101.4 -94.0 -6.8 -7.1 39.3 10.4 348 538 A S H <> S+ 0 0 3 -3,-2.2 4,-3.0 1,-0.2 5,-0.2 0.853 84.4 44.9 -51.3 -48.6 -4.1 38.1 8.4 349 539 A A H > S+ 0 0 1 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.932 116.3 46.0 -63.3 -48.4 -5.9 37.8 5.0 350 540 A V H > S+ 0 0 18 -270,-0.4 4,-1.8 -4,-0.3 -2,-0.2 0.943 118.0 42.8 -57.8 -51.3 -7.8 41.1 5.4 351 541 A Q H X S+ 0 0 65 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.937 113.7 49.5 -63.4 -50.2 -4.6 42.9 6.5 352 542 A I H X S+ 0 0 1 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.844 109.6 52.3 -62.7 -35.0 -2.3 41.4 3.9 353 543 A K H X S+ 0 0 13 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.912 112.9 44.1 -67.1 -44.9 -4.7 42.1 1.0 354 544 A R H X S+ 0 0 104 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.969 113.4 51.4 -59.9 -54.9 -4.9 45.8 2.0 355 545 A E H X S+ 0 0 69 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.872 113.3 45.0 -49.9 -44.6 -1.2 46.0 2.5 356 546 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.888 110.8 53.2 -69.2 -40.3 -0.6 44.4 -0.9 357 547 A N H X S+ 0 0 52 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.932 112.1 44.7 -59.2 -48.1 -3.1 46.7 -2.7 358 548 A H H X S+ 0 0 115 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.913 114.1 50.0 -60.3 -46.0 -1.5 49.8 -1.2 359 549 A L H X S+ 0 0 26 -4,-2.0 4,-0.7 -5,-0.3 -2,-0.2 0.843 107.1 54.2 -64.3 -36.5 1.9 48.6 -2.1 360 550 A L H <>S+ 0 0 10 -4,-2.4 5,-1.5 2,-0.2 3,-0.2 0.863 111.2 45.9 -65.0 -37.7 0.9 47.7 -5.7 361 551 A Y H ><5S+ 0 0 195 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.917 109.9 52.7 -70.0 -45.8 -0.4 51.3 -6.2 362 552 A Q H 3<5S+ 0 0 124 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.551 108.1 52.0 -72.1 -9.3 2.7 52.9 -4.7 363 553 A R T 3<5S- 0 0 129 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.321 115.0-116.3-104.9 3.3 5.0 51.0 -7.0 364 554 A G T < 5 + 0 0 67 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.517 62.1 149.3 77.1 7.0 3.1 52.1 -10.1 365 555 A Y < - 0 0 41 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.548 39.3-152.1 -71.4 136.1 1.9 48.6 -11.1 366 556 A Y S S- 0 0 158 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.924 75.1 -5.9 -75.5 -49.4 -1.5 48.6 -12.9 367 557 A N S > S- 0 0 44 -319,-0.1 3,-0.8 1,-0.1 4,-0.4 -0.878 74.3-102.0-136.8 174.8 -2.5 45.0 -11.7 368 558 A L G >> S+ 0 0 0 -321,-2.0 3,-1.9 -2,-0.3 4,-0.6 0.875 114.6 63.7 -63.6 -40.7 -0.9 42.1 -9.9 369 559 A K G 34 S+ 0 0 89 -320,-0.3 3,-0.2 1,-0.3 -1,-0.2 0.694 95.4 62.0 -61.6 -19.0 -0.3 40.1 -13.1 370 560 A E G <4 S+ 0 0 104 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.707 101.1 52.0 -76.1 -22.6 2.2 42.9 -14.2 371 561 A A T X4 S+ 0 0 0 -3,-1.9 3,-2.0 -4,-0.4 2,-0.4 0.585 75.5 119.3 -93.4 -12.2 4.5 42.3 -11.2 372 562 A I T 3< S- 0 0 41 -4,-0.6 -43,-0.2 1,-0.3 -44,-0.1 -0.404 93.5 -4.3 -62.6 113.3 5.0 38.5 -11.5 373 563 A G T > S+ 0 0 9 -45,-2.4 2,-1.5 -2,-0.4 3,-0.6 0.700 86.0 149.3 76.6 22.7 8.7 37.9 -12.1 374 564 A R T < + 0 0 141 -3,-2.0 -1,-0.1 1,-0.2 -45,-0.1 -0.457 48.9 81.4 -90.8 63.5 9.6 41.6 -12.1 375 565 A K T 3 0 0 151 -2,-1.5 -1,-0.2 -46,-0.1 -45,-0.1 0.032 360.0 360.0-138.8 17.0 13.1 41.3 -10.7 376 566 A H < 0 0 91 -3,-0.6 -2,-0.1 -47,-0.1 -46,-0.0 0.271 360.0 360.0-123.4 360.0 14.6 40.3 -14.0