==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 17-NOV-09 3KQN . COMPND 2 MOLECULE: SERINE PROTEASE/NTPASE/HELICASE NS3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR M.GU,C.M.RICE . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.7 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 . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 0 2 2 1 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 1 189 A S 0 0 141 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.8 14.6 -34.5 -19.7 2 190 A P - 0 0 60 0, 0.0 12,-0.1 0, 0.0 129,-0.0 -0.180 360.0 -95.4 -48.8 130.9 17.2 -32.2 -21.3 3 191 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 9,-0.1 -0.176 40.2-118.0 -50.9 133.9 16.6 -28.6 -20.5 4 192 A A - 0 0 82 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.471 29.9-104.6 -75.5 146.5 14.6 -26.7 -23.2 5 193 A V - 0 0 15 -2,-0.1 124,-0.1 124,-0.1 -1,-0.1 -0.619 42.6-145.3 -75.7 110.9 16.3 -23.8 -24.9 6 194 A P - 0 0 15 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.101 18.9-116.6 -70.3 171.5 14.7 -20.6 -23.4 7 195 A Q S S+ 0 0 162 1,-0.1 2,-0.3 2,-0.1 3,-0.1 0.846 102.3 33.6 -76.3 -37.4 14.0 -17.3 -25.2 8 196 A T S S- 0 0 110 1,-0.1 -1,-0.1 120,-0.1 120,-0.1 -0.906 111.2 -68.8-120.8 150.3 16.5 -15.5 -23.0 9 197 A F + 0 0 45 -2,-0.3 2,-0.3 118,-0.1 120,-0.2 0.121 59.1 165.7 -35.4 140.5 19.7 -16.7 -21.4 10 198 A Q E -a 129 0A 91 118,-0.8 120,-2.3 -4,-0.1 2,-0.5 -0.967 32.0-137.6-162.4 144.2 19.4 -19.3 -18.7 11 199 A V E +a 130 0A 44 -2,-0.3 2,-0.3 118,-0.2 120,-0.2 -0.931 30.4 178.2-108.0 125.8 21.6 -21.8 -16.8 12 200 A A E -a 131 0A 12 118,-3.3 120,-2.6 -2,-0.5 2,-0.3 -0.861 21.5-127.5-126.3 160.9 20.1 -25.2 -16.3 13 201 A H E -a 132 0A 69 -2,-0.3 2,-0.4 118,-0.2 120,-0.2 -0.796 11.9-162.8-108.7 152.3 21.2 -28.5 -14.7 14 202 A L E +a 133 0A 8 118,-2.2 120,-2.0 -2,-0.3 2,-0.5 -0.962 10.2 179.6-135.6 114.4 21.2 -32.0 -16.2 15 203 A H E +a 134 0A 91 -2,-0.4 120,-0.2 118,-0.2 118,-0.1 -0.972 17.1 139.9-122.0 121.6 21.5 -35.0 -13.9 16 204 A A - 0 0 22 118,-0.7 3,-0.1 -2,-0.5 5,-0.1 -0.980 51.6 -85.8-155.3 149.3 21.6 -38.6 -15.3 17 205 A P > - 0 0 76 0, 0.0 3,-1.9 0, 0.0 5,-0.3 0.006 58.8 -77.5 -55.3 161.1 23.5 -41.8 -14.4 18 206 A T T 3 S+ 0 0 8 1,-0.3 258,-0.0 117,-0.2 254,-0.0 -0.340 118.1 17.1 -61.8 138.0 26.9 -42.6 -15.9 19 207 A G T 3 S+ 0 0 28 -3,-0.1 -1,-0.3 260,-0.1 259,-0.0 0.418 87.9 120.0 80.4 -0.5 26.7 -43.9 -19.5 20 208 A S S < S- 0 0 48 -3,-1.9 -2,-0.1 -4,-0.1 -1,-0.0 0.782 89.1 -97.3 -69.3 -26.3 23.1 -42.5 -20.0 21 209 A G S >>>S+ 0 0 9 -4,-0.3 5,-1.9 -5,-0.1 3,-1.0 0.539 75.9 137.8 123.2 11.1 24.1 -40.3 -22.8 22 210 A K T 345S+ 0 0 13 -5,-0.3 -4,-0.1 1,-0.3 111,-0.0 0.868 81.6 39.6 -53.5 -42.8 24.6 -36.8 -21.4 23 211 A S T 345S+ 0 0 13 3,-0.1 -1,-0.3 206,-0.1 79,-0.0 0.502 133.6 18.5 -88.4 -5.5 27.8 -36.1 -23.4 24 212 A T T <>5S+ 0 0 18 -3,-1.0 4,-1.6 3,-0.1 -2,-0.2 0.652 123.2 42.6-128.3 -58.7 26.6 -37.7 -26.7 25 213 A K H X5S+ 0 0 108 -4,-0.9 4,-2.5 2,-0.2 -3,-0.2 0.939 114.5 51.5 -60.7 -49.3 22.8 -38.2 -27.0 26 214 A V H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.874 112.4 54.9 -62.5 -30.4 24.2 -32.7 -27.8 28 216 A A H X S+ 0 0 23 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.942 107.9 49.3 -63.9 -45.8 23.0 -34.7 -30.8 29 217 A A H X S+ 0 0 49 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.942 111.2 48.6 -58.5 -49.9 19.4 -33.9 -29.9 30 218 A Y H <>S+ 0 0 7 -4,-2.4 5,-1.9 1,-0.2 3,-0.5 0.901 110.9 50.5 -57.3 -44.0 20.1 -30.2 -29.6 31 219 A A H ><5S+ 0 0 17 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.895 105.4 57.1 -62.1 -40.0 21.9 -30.2 -32.9 32 220 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.795 101.6 56.8 -61.9 -28.3 19.0 -31.9 -34.5 33 221 A Q T 3<5S- 0 0 128 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.556 127.8 -99.6 -79.9 -7.6 16.8 -29.1 -33.3 34 222 A G T < 5S+ 0 0 63 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.623 77.4 135.8 100.4 16.3 19.0 -26.6 -35.2 35 223 A Y < - 0 0 50 -5,-1.9 2,-0.6 62,-0.0 -1,-0.3 -0.696 55.0-126.0 -99.1 150.2 21.2 -25.3 -32.4 36 224 A K - 0 0 88 -2,-0.3 62,-2.1 41,-0.1 61,-1.8 -0.845 35.7-162.5 -91.8 122.5 25.0 -24.8 -32.4 37 225 A V E -bc 77 98A 0 39,-3.4 41,-2.9 -2,-0.6 2,-0.5 -0.915 18.2-166.6-118.9 135.6 26.4 -26.7 -29.4 38 226 A L E -bc 78 99A 9 60,-2.4 62,-3.4 -2,-0.4 2,-0.6 -0.962 8.8-164.1-115.2 125.3 29.7 -26.5 -27.5 39 227 A V E -bc 79 100A 0 39,-3.5 41,-2.8 -2,-0.5 2,-0.6 -0.943 1.8-162.0-114.6 115.7 30.5 -29.3 -25.1 40 228 A L E +bc 80 101A 0 60,-2.8 62,-1.6 -2,-0.6 41,-0.2 -0.864 14.9 175.0 -99.1 120.4 33.3 -28.7 -22.6 41 229 A N E -b 81 0A 0 39,-2.5 41,-0.9 -2,-0.6 42,-0.2 -0.957 32.8-139.4-124.8 141.9 34.8 -31.8 -21.0 42 230 A P S S+ 0 0 35 0, 0.0 2,-0.6 0, 0.0 39,-0.1 0.652 80.2 85.4 -75.7 -11.1 37.8 -32.0 -18.7 43 231 A S > - 0 0 9 1,-0.2 4,-2.6 37,-0.1 5,-0.2 -0.798 53.2-169.1-101.1 120.3 39.1 -35.2 -20.3 44 232 A V H > S+ 0 0 45 -2,-0.6 4,-2.6 2,-0.2 5,-0.3 0.933 95.5 53.1 -64.3 -44.3 41.4 -35.1 -23.4 45 233 A A H > S+ 0 0 2 180,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 113.1 41.7 -56.7 -48.5 40.9 -38.9 -23.8 46 234 A A H > S+ 0 0 4 182,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 112.5 54.6 -65.9 -44.5 37.0 -38.6 -23.7 47 235 A T H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.931 111.5 43.2 -54.7 -51.3 37.0 -35.6 -26.0 48 236 A L H X S+ 0 0 46 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.882 113.3 56.0 -62.4 -35.6 39.0 -37.3 -28.7 49 237 A G H X S+ 0 0 34 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.840 99.9 57.2 -65.2 -35.3 36.8 -40.3 -28.0 50 238 A F H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.884 101.9 57.6 -64.2 -37.8 33.6 -38.3 -28.7 51 239 A G H X S+ 0 0 13 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.948 111.5 39.2 -56.8 -52.8 34.9 -37.4 -32.1 52 240 A A H X S+ 0 0 69 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.946 119.6 45.8 -63.7 -50.5 35.3 -41.0 -33.2 53 241 A Y H X S+ 0 0 111 -4,-2.3 4,-1.3 1,-0.2 5,-0.5 0.920 112.0 48.6 -60.7 -50.4 32.1 -42.3 -31.6 54 242 A M H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 6,-1.7 0.873 109.1 58.3 -58.5 -36.2 29.8 -39.5 -32.7 55 243 A S H < S+ 0 0 44 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.914 117.5 27.5 -61.8 -46.8 31.2 -40.0 -36.2 56 244 A K H < S+ 0 0 169 -4,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.402 131.2 35.9-100.7 5.3 30.2 -43.7 -36.5 57 245 A A H < S+ 0 0 52 -4,-1.3 -3,-0.2 -3,-0.2 -2,-0.2 0.627 127.1 28.6-124.5 -30.4 27.2 -43.8 -34.2 58 246 A H S < S- 0 0 62 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.220 100.5-120.4-116.3 11.4 25.4 -40.5 -34.6 59 247 A G S S+ 0 0 70 -4,-0.2 2,-0.3 1,-0.2 -4,-0.2 0.903 74.9 117.7 50.4 46.2 26.4 -39.9 -38.2 60 248 A I - 0 0 32 -6,-1.7 -2,-0.2 -9,-0.1 -3,-0.2 -0.967 53.7-156.9-148.7 129.6 28.2 -36.6 -37.2 61 249 A D - 0 0 94 -2,-0.3 14,-0.4 -6,-0.1 16,-0.1 -0.813 29.3-165.6-104.8 90.1 31.8 -35.5 -37.4 62 250 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 16,-0.2 -0.193 28.2 -93.1 -72.7 166.1 31.9 -32.7 -34.8 63 251 A N E -d 78 0A 13 14,-2.2 16,-3.0 12,-0.1 2,-0.4 -0.570 42.3-155.1 -76.9 143.7 34.7 -30.2 -34.3 64 252 A I E -dE 79 71A 3 7,-2.8 7,-3.1 -2,-0.2 2,-0.4 -0.987 13.5-177.3-126.7 132.9 37.3 -31.3 -31.8 65 253 A R E +dE 80 70A 64 14,-2.3 16,-1.7 -2,-0.4 2,-0.3 -0.952 21.0 135.9-135.8 114.4 39.5 -29.1 -29.8 66 254 A T - 0 0 1 3,-1.1 -2,-0.0 -2,-0.4 -22,-0.0 -0.921 63.4-105.7-145.1 165.9 42.2 -30.4 -27.4 67 255 A G S S+ 0 0 66 -2,-0.3 3,-0.1 1,-0.2 -23,-0.0 0.685 120.9 44.7 -70.1 -16.0 45.8 -29.4 -26.8 68 256 A V S S+ 0 0 98 1,-0.3 2,-0.3 -24,-0.0 -1,-0.2 0.821 124.7 10.8 -95.7 -39.6 46.9 -32.5 -28.6 69 257 A R - 0 0 150 2,-0.0 -3,-1.1 0, 0.0 2,-0.4 -0.996 55.6-163.9-147.6 141.7 44.7 -32.4 -31.7 70 258 A T E -E 65 0A 64 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.965 5.8-176.5-123.4 138.5 42.3 -30.1 -33.4 71 259 A I E -E 64 0A 52 -7,-3.1 -7,-2.8 -2,-0.4 2,-0.6 -0.946 3.5-170.5-137.1 113.5 39.7 -31.0 -36.0 72 260 A T + 0 0 110 -2,-0.4 -9,-0.1 -9,-0.2 6,-0.0 -0.919 23.0 150.1-109.4 115.7 37.5 -28.4 -37.6 73 261 A T - 0 0 69 -2,-0.6 -1,-0.1 2,-0.1 -10,-0.1 0.612 58.6-117.5-113.6 -25.6 34.7 -29.7 -39.7 74 262 A G + 0 0 63 1,-0.2 4,-0.1 3,-0.1 -2,-0.1 0.555 59.5 154.4 94.6 9.7 32.1 -27.0 -39.4 75 263 A A - 0 0 15 -14,-0.4 -1,-0.2 2,-0.2 -12,-0.1 -0.206 57.6-113.8 -65.9 162.0 29.6 -29.3 -37.7 76 264 A P S S+ 0 0 52 0, 0.0 -39,-3.4 0, 0.0 2,-0.4 0.404 99.3 66.8 -79.3 3.7 27.0 -27.8 -35.4 77 265 A I E -b 37 0A 0 -41,-0.2 -14,-2.2 -16,-0.1 2,-0.4 -0.993 62.9-170.7-128.9 131.4 28.6 -29.5 -32.4 78 266 A T E -bd 38 63A 2 -41,-2.9 -39,-3.5 -2,-0.4 2,-0.5 -0.979 7.2-160.0-124.3 130.6 32.0 -28.9 -30.9 79 267 A Y E +bd 39 64A 0 -16,-3.0 -14,-2.3 -2,-0.4 2,-0.3 -0.935 24.0 161.7-107.6 127.7 33.8 -31.0 -28.3 80 268 A S E -bd 40 65A 3 -41,-2.8 -39,-2.5 -2,-0.5 -14,-0.2 -0.994 37.6-119.1-145.0 148.2 36.6 -29.2 -26.4 81 269 A T E > -b 41 0A 8 -16,-1.7 4,-2.0 -2,-0.3 5,-0.1 -0.506 31.4-117.6 -80.5 158.3 38.4 -29.7 -23.2 82 270 A Y H > S+ 0 0 0 -41,-0.9 4,-2.6 1,-0.2 5,-0.2 0.909 115.6 57.4 -61.3 -39.4 38.1 -27.0 -20.6 83 271 A G H > S+ 0 0 20 -42,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 108.2 42.5 -56.1 -51.0 41.9 -26.5 -20.9 84 272 A K H > S+ 0 0 52 -19,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.847 112.3 56.2 -66.0 -35.0 41.8 -25.8 -24.7 85 273 A F H <>S+ 0 0 8 -4,-2.0 5,-2.3 2,-0.2 4,-0.5 0.913 110.6 43.4 -62.2 -46.0 38.7 -23.6 -24.2 86 274 A L H ><5S+ 0 0 9 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.922 113.1 52.6 -66.4 -42.5 40.6 -21.4 -21.7 87 275 A A H 3<5S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.784 104.7 56.3 -63.6 -29.1 43.7 -21.4 -23.9 88 276 A D T 3<5S- 0 0 73 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.612 125.9-100.7 -78.0 -13.5 41.5 -20.3 -26.9 89 277 A G T < 5 - 0 0 50 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.2 0.610 55.5 -90.5 105.4 13.6 40.4 -17.3 -24.9 90 278 A G S - 0 0 76 -2,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.802 34.1 -91.7-101.2 143.8 33.5 -16.5 -29.0 93 281 A G T 3 S- 0 0 76 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.320 100.5 -16.9 -59.0 124.1 30.9 -13.9 -30.1 94 282 A G T 3 S+ 0 0 66 31,-2.8 -1,-0.3 2,-0.1 32,-0.1 0.765 97.9 127.3 51.5 32.1 27.7 -15.5 -31.4 95 283 A A < + 0 0 23 -3,-1.6 2,-0.3 30,-0.4 -2,-0.1 0.868 67.5 23.3 -85.0 -38.6 29.4 -18.9 -31.9 96 284 A Y - 0 0 41 -4,-0.4 -1,-0.2 29,-0.3 -59,-0.2 -0.969 44.9-160.3-136.4 149.5 27.0 -21.1 -30.0 97 285 A D S S+ 0 0 43 -61,-1.8 31,-1.9 -2,-0.3 32,-1.6 0.775 90.5 32.0 -88.9 -32.7 23.4 -21.2 -28.8 98 286 A I E -cf 37 129A 0 -62,-2.1 -60,-2.4 29,-0.2 2,-0.5 -0.987 62.9-167.9-131.3 135.1 24.1 -23.8 -26.1 99 287 A I E -cf 38 130A 4 30,-2.3 32,-2.5 -2,-0.4 2,-0.7 -0.987 10.0-157.2-123.5 121.6 27.1 -24.4 -24.0 100 288 A I E -cf 39 131A 1 -62,-3.4 -60,-2.8 -2,-0.5 2,-1.6 -0.885 7.1-157.0-103.4 112.9 27.3 -27.6 -22.0 101 289 A C E > -cf 40 132A 0 30,-3.1 32,-1.6 -2,-0.7 3,-0.6 -0.723 30.7-159.1 -85.6 86.9 29.7 -27.5 -19.0 102 290 A D T 3 + 0 0 0 -2,-1.6 32,-0.1 -62,-1.6 30,-0.0 -0.312 62.6 13.7 -71.2 152.7 30.1 -31.3 -19.0 103 291 A E T > S+ 0 0 10 30,-0.2 3,-2.0 1,-0.2 31,-0.2 0.884 71.6 174.1 47.4 48.7 31.2 -33.3 -16.0 104 292 A C T < + 0 0 3 29,-2.4 -1,-0.2 -3,-0.6 30,-0.2 0.300 63.9 79.0 -69.4 11.3 30.6 -30.3 -13.7 105 293 A H T 3 + 0 0 11 28,-0.3 2,-0.3 229,-0.1 -1,-0.3 0.552 68.5 110.3 -91.2 -12.1 31.4 -32.5 -10.7 106 294 A S < - 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0 0 77 -2,-0.5 4,-2.5 -3,-0.1 5,-0.2 -0.437 29.9-108.1 -77.8 157.6 45.5 -11.9 -13.9 318 506 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.900 122.3 50.7 -53.4 -42.0 44.4 -12.5 -10.3 319 507 A A H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.880 109.7 51.0 -63.7 -36.9 41.6 -10.0 -10.7 320 508 A E H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 109.1 50.3 -65.8 -43.9 40.4 -11.8 -13.9 321 509 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.891 107.3 55.0 -61.8 -40.1 40.5 -15.1 -12.1 322 510 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.901 103.2 55.2 -60.9 -42.2 38.4 -13.7 -9.3 323 511 A V H X S+ 0 0 54 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.904 113.0 42.8 -57.7 -41.0 35.7 -12.5 -11.7 324 512 A R H X S+ 0 0 17 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.913 113.6 49.2 -73.9 -43.0 35.4 -16.1 -13.0 325 513 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.835 107.3 56.7 -65.7 -33.5 35.5 -17.8 -9.6 326 514 A R H X S+ 0 0 111 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.952 105.2 51.1 -62.0 -47.5 32.9 -15.4 -8.3 327 515 A A H < S+ 0 0 18 -4,-1.5 4,-0.2 -5,-0.2 -2,-0.2 0.908 111.7 48.5 -55.2 -42.9 30.5 -16.5 -11.1 328 516 A Y H >< S+ 0 0 1 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.942 114.0 44.1 -64.0 -49.4 31.1 -20.1 -10.2 329 517 A L H 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.716 109.8 57.2 -70.7 -20.3 30.5 -19.7 -6.5 330 518 A N T 3< S+ 0 0 130 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.389 89.6 88.4 -90.0 2.3 27.4 -17.5 -7.1 331 519 A T S X S- 0 0 29 -3,-1.3 3,-0.7 -4,-0.2 -212,-0.0 -0.905 76.7-132.2-106.1 120.3 25.7 -20.2 -9.2 332 520 A P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.277 82.9 41.2 -67.6 152.2 23.6 -22.8 -7.2 333 521 A G T 3 S+ 0 0 41 1,-0.3 3,-0.1 -320,-0.0 -2,-0.0 0.486 91.2 103.6 91.7 2.8 23.9 -26.5 -7.7 334 522 A L S < S- 0 0 8 -3,-0.7 -1,-0.3 -6,-0.1 -229,-0.1 -0.706 84.9 -74.0-113.3 166.1 27.7 -26.6 -8.0 335 523 A P - 0 0 11 0, 0.0 -38,-0.3 0, 0.0 2,-0.2 -0.306 54.3-140.0 -58.0 140.5 30.4 -27.7 -5.5 336 524 A V B +q 297 0G 88 -40,-2.7 -38,-2.1 -3,-0.1 2,-0.3 -0.664 22.9 175.0-106.0 162.2 30.9 -25.2 -2.7 337 525 A C - 0 0 20 -2,-0.2 -38,-0.1 -40,-0.2 -40,-0.0 -0.983 42.7 -74.6-158.1 158.5 34.0 -23.8 -0.9 338 526 A Q - 0 0 132 -40,-0.4 2,-1.8 -2,-0.3 3,-0.0 -0.269 52.4-112.4 -55.1 144.0 35.0 -21.2 1.7 339 527 A D + 0 0 126 1,-0.2 3,-0.2 2,-0.1 4,-0.1 -0.588 65.4 139.6 -84.3 80.9 34.9 -17.7 0.2 340 528 A H > + 0 0 56 -2,-1.8 4,-2.6 1,-0.1 5,-0.3 0.062 26.1 116.7-109.3 22.2 38.6 -17.0 0.2 341 529 A L H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.925 75.7 50.4 -56.6 -48.8 38.8 -15.3 -3.1 342 530 A E H > S+ 0 0 147 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.932 112.7 47.7 -55.6 -48.4 39.9 -11.9 -1.7 343 531 A F H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.979 116.0 41.5 -56.9 -60.7 42.6 -13.6 0.3 344 532 A W H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.852 113.5 53.2 -59.1 -37.2 44.0 -15.7 -2.6 345 533 A E H X S+ 0 0 40 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.943 110.0 48.3 -63.9 -44.6 43.7 -12.9 -5.1 346 534 A S H X S+ 0 0 25 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.865 109.8 54.3 -63.4 -35.4 45.7 -10.6 -2.8 347 535 A V H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.969 113.1 39.1 -63.3 -54.0 48.3 -13.3 -2.3 348 536 A F H >< S+ 0 0 4 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.793 105.2 68.6 -69.1 -25.9 49.0 -13.8 -6.0 349 537 A T H 3< S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 99.0 51.2 -62.3 -30.6 48.8 -10.1 -6.8 350 538 A G T << S+ 0 0 25 -4,-1.0 2,-1.4 -3,-0.7 -1,-0.3 0.627 88.2 88.9 -81.5 -11.9 52.0 -9.6 -4.8 351 539 A L < + 0 0 3 -3,-1.1 3,-0.3 -4,-0.4 2,-0.2 -0.603 61.4 154.0 -89.6 81.3 53.9 -12.3 -6.7 352 540 A T + 0 0 81 -2,-1.4 -2,-0.0 1,-0.2 -3,-0.0 -0.659 45.2 26.6-109.3 163.7 55.3 -10.3 -9.7 353 541 A H S S- 0 0 148 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.911 73.1-176.0 55.1 48.9 58.3 -10.6 -12.0 354 542 A I - 0 0 29 -3,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.409 38.4 -98.1 -70.8 151.2 58.6 -14.3 -11.7 355 543 A D > - 0 0 53 19,-0.4 4,-2.3 1,-0.2 3,-0.4 -0.649 31.3-152.8 -74.7 115.2 61.5 -15.9 -13.5 356 544 A A H > S+ 0 0 75 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.862 92.9 56.8 -56.4 -40.8 60.0 -17.1 -16.7 357 545 A H H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 110.0 45.0 -61.1 -38.1 62.7 -19.8 -17.1 358 546 A F H > S+ 0 0 8 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.898 111.6 52.1 -71.7 -41.7 61.7 -21.2 -13.7 359 547 A L H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.933 109.7 50.3 -59.6 -45.7 58.0 -21.0 -14.4 360 548 A S H X S+ 0 0 48 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.926 111.1 49.7 -58.3 -45.3 58.6 -22.9 -17.7 361 549 A Q H X S+ 0 0 45 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.874 110.4 47.1 -64.0 -41.8 60.5 -25.6 -15.8 362 550 A T H X>S+ 0 0 2 -4,-2.5 5,-1.6 2,-0.2 4,-0.6 0.876 112.1 51.5 -70.5 -34.8 57.9 -26.1 -13.0 363 551 A K H ><5S+ 0 0 51 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.944 112.5 44.7 -65.0 -46.8 55.1 -26.3 -15.6 364 552 A Q H 3<5S+ 0 0 160 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.8 58.2 -67.0 -31.4 56.9 -28.9 -17.7 365 553 A A H 3<5S- 0 0 67 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.641 107.9-129.2 -72.4 -13.9 57.9 -30.9 -14.6 366 554 A G T <<5 + 0 0 29 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.724 47.1 166.0 72.6 21.9 54.2 -31.2 -13.9 367 555 A D < - 0 0 43 -5,-1.6 2,-0.3 1,-0.1 -1,-0.2 -0.318 42.8-105.9 -68.6 152.7 54.7 -30.0 -10.3 368 556 A N S S+ 0 0 86 1,-0.3 5,-0.1 2,-0.1 -1,-0.1 -0.606 104.2 13.6 -78.7 141.8 51.6 -28.9 -8.3 369 557 A F S > S+ 0 0 11 -2,-0.3 4,-2.6 3,-0.1 -1,-0.3 0.950 76.0 179.7 57.9 52.4 51.3 -25.2 -8.0 370 558 A P H > S+ 0 0 11 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 76.9 52.8 -53.9 -34.9 54.0 -24.5 -10.6 371 559 A Y H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 111.1 44.6 -68.4 -47.7 53.6 -20.7 -10.2 372 560 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 115.9 48.0 -63.4 -38.2 54.1 -20.8 -6.4 373 561 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.963 114.9 44.7 -65.9 -49.6 57.1 -23.3 -6.8 374 562 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -19,-0.4 0.830 112.5 53.0 -64.1 -31.9 58.7 -21.1 -9.5 375 563 A Y H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.917 107.7 49.2 -72.4 -41.0 58.0 -18.0 -7.5 376 564 A Q H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.932 113.2 48.6 -60.0 -43.9 59.7 -19.3 -4.3 377 565 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.893 108.2 54.3 -61.7 -41.0 62.7 -20.3 -6.5 378 566 A T H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.923 109.0 47.8 -59.2 -45.9 62.7 -16.9 -8.1 379 567 A V H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.914 111.2 51.1 -63.2 -41.8 63.0 -15.3 -4.7 380 568 A C H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-0.6 0.938 109.6 50.0 -60.6 -47.3 65.8 -17.7 -3.7 381 569 A A H ><5S+ 0 0 21 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.925 110.9 48.7 -57.6 -47.6 67.8 -16.9 -6.8 382 570 A R H 3<5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 115.6 43.4 -63.8 -32.2 67.5 -13.1 -6.3 383 571 A A H 3<5S- 0 0 48 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.435 109.1-125.3 -91.0 -0.3 68.5 -13.4 -2.7 384 572 A Q T <<5 + 0 0 107 -3,-1.0 21,-2.6 -4,-0.6 -3,-0.2 0.870 67.0 137.3 57.0 36.4 71.3 -15.8 -3.7 385 573 A A < - 0 0 4 -5,-2.8 -1,-0.2 19,-0.3 21,-0.1 -0.770 56.5-107.0-111.4 156.5 69.8 -18.2 -1.1 386 574 A P - 0 0 15 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.390 39.0 -98.1 -80.5 161.4 69.1 -22.0 -1.4 387 575 A P - 0 0 1 0, 0.0 32,-0.2 0, 0.0 21,-0.1 -0.201 43.6 -92.7 -70.9 168.7 65.7 -23.5 -1.8 388 576 A P S S- 0 0 5 0, 0.0 31,-2.1 0, 0.0 30,-1.8 0.889 104.3 -18.5 -48.1 -43.3 63.7 -25.0 1.2 389 577 A S - 0 0 5 28,-0.2 28,-0.1 29,-0.2 26,-0.0 -0.778 67.6-107.6-147.4-170.7 65.2 -28.3 0.4 390 578 A W + 0 0 105 -2,-0.2 2,-0.1 -4,-0.1 8,-0.0 -0.039 66.0 130.6-120.3 32.2 67.0 -30.1 -2.5 391 579 A D S > S- 0 0 68 25,-0.2 3,-3.1 1,-0.1 4,-0.2 -0.392 80.8 -87.1 -81.1 163.9 64.3 -32.5 -3.6 392 580 A Q G > S+ 0 0 158 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.782 123.2 73.3 -36.6 -40.5 63.2 -32.8 -7.3 393 581 A M G 3 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.774 104.4 36.5 -48.6 -33.2 60.8 -29.9 -6.7 394 582 A W G X S+ 0 0 6 -3,-3.1 3,-2.0 1,-0.2 -1,-0.3 0.157 77.2 116.2-109.9 18.1 63.7 -27.4 -6.5 395 583 A K G X + 0 0 125 -3,-2.2 3,-2.0 1,-0.3 4,-0.4 0.750 60.7 78.7 -59.6 -22.3 66.0 -28.9 -9.2 396 584 A C G 3 S+ 0 0 8 -4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.603 93.4 52.5 -63.4 -6.7 65.6 -25.7 -11.3 397 585 A L G X> S+ 0 0 0 -3,-2.0 3,-1.6 1,-0.1 4,-0.7 0.416 76.5 97.2-108.3 0.4 68.1 -24.1 -8.9 398 586 A I G X4 S+ 0 0 92 -3,-2.0 3,-1.6 1,-0.3 -2,-0.1 0.900 76.4 63.5 -55.3 -43.4 70.9 -26.7 -9.1 399 587 A R G 34 S+ 0 0 160 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.730 109.9 39.6 -55.3 -23.3 72.7 -24.6 -11.7 400 588 A L G X> S+ 0 0 49 -3,-1.6 3,-3.0 1,-0.1 4,-1.2 0.461 82.2 110.7-105.3 -2.9 73.1 -21.8 -9.0 401 589 A K G X< S+ 0 0 105 -3,-1.6 3,-0.9 -4,-0.7 -2,-0.1 0.834 71.8 58.6 -37.7 -53.0 73.9 -24.2 -6.1 402 590 A P G 34 S+ 0 0 120 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 112.6 41.3 -55.7 -17.8 77.5 -23.1 -5.8 403 591 A T G <4 S+ 0 0 71 -3,-3.0 2,-0.3 -18,-0.1 -2,-0.2 0.617 90.4 100.9-105.4 -17.8 76.4 -19.5 -5.2 404 592 A L << + 0 0 21 -4,-1.2 -19,-0.3 -3,-0.9 2,-0.3 -0.524 47.1 154.5 -74.1 133.2 73.4 -20.0 -2.9 405 593 A H + 0 0 116 -21,-2.6 -2,-0.0 -2,-0.3 -4,-0.0 -0.967 28.9 29.3-153.1 166.0 74.1 -19.4 0.8 406 594 A G S S- 0 0 38 -2,-0.3 14,-0.1 -21,-0.1 2,-0.1 -0.202 95.3 -25.3 77.2-171.6 72.4 -18.5 4.0 407 595 A P - 0 0 49 0, 0.0 14,-0.3 0, 0.0 -2,-0.1 -0.347 68.2-104.8 -75.1 157.5 68.8 -19.2 5.2 408 596 A T E -r 421 0H 0 12,-2.7 14,-2.8 -23,-0.1 2,-1.8 -0.666 22.7-128.0 -84.5 133.4 66.0 -19.7 2.8 409 597 A P E -r 422 0H 8 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.613 33.9-151.9 -80.8 83.3 63.5 -16.8 2.4 410 598 A L + 0 0 0 -2,-1.8 3,-0.1 12,-1.3 15,-0.1 -0.444 26.4 174.2 -66.0 115.5 60.4 -19.0 3.1 411 599 A L - 0 0 0 -2,-0.4 -155,-0.3 1,-0.4 2,-0.3 0.808 69.1 -35.9 -87.2 -35.1 57.3 -17.6 1.4 412 600 A Y S S- 0 0 3 -157,-0.1 2,-0.5 -159,-0.1 -1,-0.4 -0.933 70.3 -87.4-174.0 173.5 55.1 -20.6 2.3 413 601 A R B +o 257 0E 65 -157,-2.7 -155,-2.5 -2,-0.3 3,-0.1 -0.894 41.7 155.9-107.7 125.4 55.4 -24.3 2.7 414 602 A L S S- 0 0 26 -2,-0.5 2,-0.3 -157,-0.2 -1,-0.1 0.325 74.8 -20.7-121.7 -0.5 55.0 -26.7 -0.3 415 603 A G S S- 0 0 42 -156,-0.1 2,-0.2 -22,-0.0 -1,-0.1 -0.918 101.4 -25.1-177.3-159.9 57.0 -29.6 1.1 416 604 A A - 0 0 63 -2,-0.3 2,-0.5 -3,-0.1 -25,-0.2 -0.493 51.0-148.7 -76.1 142.0 59.6 -30.5 3.6 417 605 A V + 0 0 35 -2,-0.2 -28,-0.2 1,-0.1 4,-0.1 -0.953 27.8 159.8-115.2 118.5 62.1 -27.8 4.7 418 606 A Q + 0 0 140 -30,-1.8 -29,-0.2 -2,-0.5 -1,-0.1 0.809 52.6 76.6-103.3 -41.9 65.6 -28.8 5.6 419 607 A N S S- 0 0 50 -31,-2.1 -29,-0.0 -32,-0.2 -2,-0.0 -0.189 94.5 -85.7 -68.9 160.6 67.6 -25.6 5.2 420 608 A E - 0 0 143 -14,-0.1 -12,-2.7 1,-0.1 2,-0.3 -0.223 50.5-137.8 -60.1 160.7 67.6 -22.8 7.8 421 609 A V E -r 408 0H 56 -14,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.940 20.1-168.7-131.6 147.6 64.8 -20.3 7.3 422 610 A T E -r 409 0H 39 -14,-2.8 -12,-1.3 -2,-0.3 3,-0.2 -0.973 4.5-168.0-128.1 143.1 64.4 -16.5 7.4 423 611 A T + 0 0 63 -2,-0.4 -1,-0.0 -14,-0.2 -2,-0.0 0.082 63.0 96.5-119.0 22.8 60.9 -14.9 7.4 424 612 A T + 0 0 92 4,-0.1 -1,-0.1 5,-0.0 5,-0.0 0.493 47.4 123.2 -92.3 -4.0 61.9 -11.3 6.7 425 613 A H S > S- 0 0 45 -3,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.313 70.6-122.7 -60.9 138.0 61.5 -11.2 2.9 426 614 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.845 113.4 51.3 -48.6 -39.9 59.0 -8.5 1.8 427 615 A I H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 108.5 50.2 -68.4 -41.2 56.8 -11.1 0.1 428 616 A T H > S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.941 112.7 46.9 -60.6 -46.5 56.7 -13.2 3.3 429 617 A K H X S+ 0 0 120 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.886 112.1 52.0 -62.4 -38.4 55.7 -10.2 5.3 430 618 A Y H X S+ 0 0 86 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.925 110.3 46.2 -64.5 -46.0 53.1 -9.3 2.7 431 619 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.938 110.8 52.9 -62.2 -46.1 51.5 -12.8 2.7 432 620 A M H < S+ 0 0 73 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.887 109.6 50.6 -55.2 -38.9 51.5 -12.7 6.5 433 621 A A H >X S+ 0 0 50 -4,-1.9 4,-1.7 1,-0.2 3,-1.1 0.888 105.4 54.5 -66.8 -40.8 49.7 -9.4 6.3 434 622 A C H 3< S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 106.9 52.7 -60.4 -35.6 47.1 -10.8 3.8 435 623 A M T 3< S+ 0 0 41 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.601 106.1 55.2 -75.6 -13.1 46.4 -13.5 6.4 436 624 A S T <4 0 0 100 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.849 360.0 360.0 -87.7 -39.8 45.8 -10.9 9.1 437 625 A A < 0 0 141 -4,-1.7 -3,-0.2 -94,-0.0 -4,-0.1 0.116 360.0 360.0-172.4 360.0 43.2 -8.9 7.3