==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-AUG-99 1CY9 . COMPND 2 MOLECULE: DNA TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.FEINBERG,C.LIMA,A.MONDRAGON . 488 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 66.8 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 . 122 25.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 0 0 2 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 4 4 0 2 2 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 1 214 A F 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.9 -26.6 -26.8 17.1 2 215 A V - 0 0 124 244,-0.1 243,-0.1 2,-0.0 244,-0.0 -0.950 360.0-125.6-117.9 113.3 -29.2 -28.5 19.4 3 216 A P - 0 0 72 0, 0.0 2,-0.6 0, 0.0 243,-0.1 -0.276 19.2-138.3 -57.4 135.5 -29.4 -27.3 23.0 4 217 A E - 0 0 94 242,-0.0 241,-2.1 2,-0.0 2,-0.3 -0.868 14.0-137.5-100.9 123.2 -29.0 -30.0 25.6 5 218 A E E +A 244 0A 60 -2,-0.6 2,-0.3 239,-0.2 239,-0.2 -0.605 32.4 160.5 -80.6 134.0 -31.4 -29.7 28.6 6 219 A F E -A 243 0A 34 237,-2.5 237,-2.6 -2,-0.3 2,-0.3 -0.989 23.5-142.0-152.3 148.9 -30.0 -30.3 32.1 7 220 A W E -A 242 0A 21 28,-2.7 2,-0.3 -2,-0.3 235,-0.2 -0.819 5.7-160.9-116.6 154.7 -31.1 -29.5 35.6 8 221 A E E -A 241 0A 64 233,-2.3 233,-2.4 -2,-0.3 2,-0.4 -0.926 7.6-152.3-128.1 151.3 -29.3 -28.5 38.8 9 222 A V E -A 240 0A 0 16,-0.4 16,-2.8 -2,-0.3 2,-0.3 -0.988 8.4-170.5-131.1 125.2 -30.5 -28.7 42.4 10 223 A D E -AB 239 24A 60 229,-1.9 229,-3.0 -2,-0.4 2,-0.4 -0.850 7.2-155.3-111.5 150.5 -29.5 -26.4 45.3 11 224 A A E -AB 238 23A 1 12,-2.7 12,-2.7 -2,-0.3 2,-0.5 -0.991 6.4-150.0-129.8 128.5 -30.3 -27.0 48.9 12 225 A S E +AB 237 22A 53 225,-3.3 224,-3.3 -2,-0.4 225,-1.4 -0.854 30.3 171.2 -95.1 127.9 -30.5 -24.3 51.6 13 226 A T E -AB 235 21A 3 8,-2.4 8,-2.7 -2,-0.5 2,-0.4 -0.821 27.9-131.2-131.7 171.1 -29.6 -25.8 55.0 14 227 A T E -AB 234 20A 36 220,-1.7 220,-2.3 -2,-0.3 6,-0.2 -0.989 20.9-130.7-127.9 135.0 -28.9 -24.6 58.5 15 228 A T > - 0 0 4 4,-2.7 3,-1.1 -2,-0.4 218,-0.1 -0.178 36.6 -96.2 -74.4 172.3 -25.9 -25.7 60.7 16 229 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 211,-0.1 0.826 128.5 52.4 -59.9 -29.4 -26.2 -26.9 64.2 17 230 A S T 3 S- 0 0 82 209,-0.3 210,-0.0 2,-0.1 -3,-0.0 0.639 123.6-105.5 -80.9 -15.7 -25.5 -23.4 65.4 18 231 A G S < S+ 0 0 53 -3,-1.1 2,-0.2 1,-0.3 -1,-0.0 0.525 71.8 140.4 103.7 7.9 -28.2 -21.9 63.2 19 232 A E - 0 0 90 207,-0.2 -4,-2.7 1,-0.1 -1,-0.3 -0.534 55.3-106.8 -84.3 151.0 -26.0 -20.4 60.4 20 233 A A E -B 14 0A 87 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.560 34.0-175.3 -80.6 138.6 -27.1 -20.6 56.8 21 234 A L E -B 13 0A 5 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.5 -0.959 11.5-153.1-138.1 117.6 -25.3 -23.0 54.4 22 235 A A E -B 12 0A 63 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.777 18.5-174.2 -92.6 130.1 -26.0 -23.2 50.7 23 236 A L E -B 11 0A 5 -12,-2.7 -12,-2.7 -2,-0.5 2,-0.4 -0.891 19.0-146.6-124.9 154.7 -25.2 -26.5 49.0 24 237 A Q E -BC 10 204A 62 180,-2.1 180,-2.1 -2,-0.3 2,-0.4 -0.971 26.9-121.9-118.0 129.9 -25.2 -27.9 45.4 25 238 A V E + C 0 203A 6 -16,-2.8 -16,-0.4 -2,-0.4 178,-0.3 -0.612 39.4 165.9 -73.4 124.7 -26.2 -31.5 44.7 26 239 A T E + 0 0 34 176,-2.6 7,-2.8 -2,-0.4 2,-0.3 0.733 53.2 27.9-112.0 -32.4 -23.3 -33.1 43.0 27 240 A H E -DC 32 202A 45 175,-1.9 175,-2.3 5,-0.3 2,-0.3 -0.950 45.1-172.6-136.1 156.1 -23.8 -36.9 43.1 28 241 A Q E > S-DC 31 201A 57 3,-2.4 3,-1.2 -2,-0.3 173,-0.2 -0.940 87.3 -6.3-144.4 116.7 -26.5 -39.5 43.3 29 242 A N T 3 S- 0 0 73 171,-3.5 172,-0.1 -2,-0.3 171,-0.1 0.926 127.4 -61.3 61.4 45.3 -25.5 -43.1 43.8 30 243 A D T 3 S+ 0 0 135 170,-0.3 -1,-0.3 1,-0.2 171,-0.1 0.605 117.7 108.9 58.2 13.3 -21.8 -42.2 43.4 31 244 A K E < S-D 28 0A 142 -3,-1.2 -3,-2.4 1,-0.0 -1,-0.2 -0.931 84.7 -85.2-120.3 144.5 -22.5 -41.0 39.9 32 245 A P E -D 27 0A 107 0, 0.0 2,-0.7 0, 0.0 -5,-0.3 -0.185 45.1-124.9 -48.2 126.7 -22.5 -37.3 38.7 33 246 A F + 0 0 24 -7,-2.8 -24,-0.1 169,-0.1 -4,-0.0 -0.677 53.3 138.4 -81.3 114.2 -25.9 -35.7 39.3 34 247 A R - 0 0 104 -2,-0.7 -26,-0.1 -6,-0.1 -1,-0.1 -0.408 28.0-169.6-157.5 72.6 -27.4 -34.3 36.1 35 248 A P - 0 0 6 0, 0.0 -28,-2.7 0, 0.0 3,-0.1 -0.253 10.3-154.7 -61.4 153.2 -31.1 -34.9 35.5 36 249 A V + 0 0 64 -30,-0.2 2,-0.3 1,-0.1 -31,-0.1 0.421 66.5 28.7-113.5 -1.1 -32.3 -34.0 32.0 37 250 A N S > S- 0 0 51 1,-0.1 4,-1.9 -30,-0.0 5,-0.2 -0.973 81.9-100.2-153.4 166.4 -36.0 -33.3 32.6 38 251 A K H > S+ 0 0 124 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.853 116.2 51.7 -57.0 -42.8 -38.6 -32.0 35.1 39 252 A E H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 109.7 49.7 -64.2 -40.3 -39.9 -35.4 36.2 40 253 A Q H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 112.8 47.0 -65.3 -42.1 -36.4 -36.8 36.8 41 254 A T H X S+ 0 0 2 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.930 110.5 52.2 -65.9 -44.2 -35.5 -33.7 38.9 42 255 A Q H X S+ 0 0 108 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.874 107.3 53.4 -59.3 -38.3 -38.8 -34.0 40.8 43 256 A A H X S+ 0 0 58 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.938 112.1 44.2 -62.3 -46.6 -38.0 -37.7 41.6 44 257 A A H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.912 111.8 53.5 -64.2 -43.5 -34.6 -36.7 43.0 45 258 A V H X S+ 0 0 12 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.895 103.3 56.3 -59.8 -40.9 -36.2 -33.8 44.9 46 259 A S H X S+ 0 0 42 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.878 110.6 45.9 -59.8 -35.2 -38.7 -36.1 46.6 47 260 A L H >X S+ 0 0 94 -4,-1.3 4,-1.4 -3,-0.3 3,-0.9 0.919 110.6 51.0 -73.5 -44.3 -35.8 -38.1 47.9 48 261 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.815 100.4 65.9 -63.2 -30.3 -33.8 -35.2 49.1 49 262 A E H 3< S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 111.2 32.8 -62.2 -31.0 -36.8 -33.8 51.0 50 263 A K H << S+ 0 0 158 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.655 95.9 109.9-100.4 -19.8 -36.8 -36.8 53.4 51 264 A A S < S- 0 0 22 -4,-1.4 2,-0.5 147,-0.1 184,-0.2 -0.060 70.0-116.8 -59.2 156.4 -33.1 -37.5 53.6 52 265 A R - 0 0 146 182,-0.1 147,-0.6 2,-0.0 2,-0.5 -0.859 28.7-146.6 -97.0 122.7 -30.8 -36.9 56.6 53 266 A Y E +EF 198 233A 0 180,-0.7 180,-2.9 -2,-0.5 2,-0.3 -0.802 26.3 161.0 -96.8 128.2 -28.1 -34.3 55.9 54 267 A S E -EF 197 232A 40 143,-1.9 143,-2.8 -2,-0.5 2,-0.5 -0.995 43.1-105.9-144.5 148.8 -24.7 -34.6 57.6 55 268 A V E +E 196 0A 2 176,-2.5 175,-3.3 -2,-0.3 141,-0.3 -0.627 32.2 177.6 -75.6 118.9 -21.2 -33.2 57.0 56 269 A L E + 0 0 78 139,-2.6 2,-0.3 -2,-0.5 140,-0.2 0.871 65.8 2.4 -87.7 -45.1 -19.0 -36.0 55.6 57 270 A E E -E 195 0A 90 138,-1.7 138,-3.0 172,-0.1 2,-0.4 -1.000 50.4-166.1-149.4 146.8 -15.8 -34.0 55.1 58 271 A R E -E 194 0A 83 -2,-0.3 2,-0.5 136,-0.2 136,-0.2 -0.978 14.1-170.1-132.5 116.3 -14.4 -30.5 55.6 59 272 A E E -E 193 0A 96 134,-2.6 134,-2.1 -2,-0.4 2,-0.5 -0.942 4.5-176.8-114.9 123.1 -11.2 -29.6 53.9 60 273 A D E +E 192 0A 82 -2,-0.5 132,-0.2 132,-0.2 -2,-0.0 -0.969 18.4 149.4-117.2 128.6 -9.3 -26.3 54.7 61 274 A K E -E 191 0A 101 130,-2.0 130,-2.8 -2,-0.5 2,-0.2 -0.989 45.2-109.0-158.1 147.6 -6.2 -25.5 52.8 62 275 A P E -E 190 0A 99 0, 0.0 2,-0.3 0, 0.0 128,-0.2 -0.550 39.2-176.5 -78.1 147.5 -4.3 -22.4 51.6 63 276 A T E -E 189 0A 45 126,-2.4 126,-2.9 -2,-0.2 2,-0.3 -0.930 12.5-151.4-139.0 161.1 -4.4 -21.8 47.8 64 277 A T E -E 188 0A 67 -2,-0.3 2,-0.5 124,-0.2 124,-0.2 -0.973 2.0-154.5-135.6 151.1 -2.8 -19.3 45.4 65 278 A S E -E 187 0A 33 122,-2.2 122,-2.6 -2,-0.3 150,-0.2 -0.993 12.3-151.3-128.1 125.0 -3.9 -17.8 42.1 66 279 A K - 0 0 161 -2,-0.5 119,-0.1 120,-0.2 116,-0.1 -0.632 26.3-104.0 -92.3 151.9 -1.4 -16.5 39.6 67 280 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.319 38.9-106.2 -71.5 161.1 -2.1 -13.8 37.2 68 281 A G - 0 0 33 1,-0.1 3,-0.1 74,-0.0 74,-0.0 -0.331 39.9 -87.8 -82.5 167.0 -2.8 -14.5 33.5 69 282 A A - 0 0 31 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.248 53.0 -89.5 -68.1 160.4 -0.4 -13.9 30.6 70 283 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 80,-0.1 -0.349 64.3 -78.5 -67.5 158.4 -0.5 -10.5 28.9 71 284 A F B -H 149 0B 6 78,-0.5 78,-2.7 104,-0.2 2,-0.3 -0.163 41.1-174.6 -63.9 147.8 -2.9 -10.4 26.0 72 285 A I > - 0 0 27 76,-0.2 4,-2.4 -3,-0.1 5,-0.3 -0.809 50.4 -88.3-125.2 169.6 -2.5 -11.8 22.5 73 286 A T H > S+ 0 0 3 36,-2.1 4,-2.1 -2,-0.3 5,-0.2 0.915 125.7 45.6 -49.4 -50.0 -5.1 -11.3 19.8 74 287 A S H > S+ 0 0 53 35,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.896 115.1 45.5 -63.2 -41.2 -7.2 -14.4 20.6 75 288 A T H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.814 110.5 54.0 -73.9 -28.7 -7.2 -13.8 24.4 76 289 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.915 109.4 49.1 -68.2 -42.3 -8.0 -10.1 24.1 77 290 A Q H X S+ 0 0 42 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.924 112.7 47.5 -62.3 -42.7 -11.0 -11.1 21.9 78 291 A Q H X S+ 0 0 121 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.921 115.1 44.7 -64.6 -44.3 -12.2 -13.6 24.5 79 292 A A H X>S+ 0 0 20 -4,-2.4 4,-3.2 1,-0.2 5,-0.6 0.902 111.4 51.7 -68.5 -40.7 -11.7 -11.2 27.4 80 293 A A H X5S+ 0 0 0 -4,-2.8 6,-2.1 3,-0.2 4,-1.0 0.845 113.4 47.0 -65.0 -32.2 -13.4 -8.3 25.7 81 294 A S H X5S+ 0 0 66 -4,-1.6 4,-0.9 4,-0.3 -2,-0.2 0.951 119.3 37.5 -72.1 -51.6 -16.4 -10.5 24.9 82 295 A T H <5S+ 0 0 124 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.910 128.8 30.8 -68.0 -46.0 -16.7 -12.0 28.4 83 296 A R H <5S+ 0 0 158 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.860 135.4 21.1 -84.0 -37.9 -15.9 -8.9 30.4 84 297 A L H < - 0 0 30 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.312 30.5-104.2 -74.5 165.5 -18.0 -8.8 19.6 88 301 A V H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 117.7 46.5 -59.4 -47.6 -14.8 -9.8 17.8 89 302 A K H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 113.0 49.5 -66.9 -36.1 -15.0 -7.4 14.9 90 303 A K H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 110.5 51.7 -67.7 -41.6 -15.9 -4.4 17.2 91 304 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.931 110.8 47.6 -60.5 -43.3 -13.0 -5.3 19.5 92 305 A M H X S+ 0 0 34 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.849 109.3 52.8 -68.9 -32.6 -10.6 -5.4 16.6 93 306 A M H X S+ 0 0 107 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.924 114.2 43.5 -65.7 -43.4 -11.8 -2.0 15.2 94 307 A M H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 112.5 51.0 -69.6 -40.5 -11.3 -0.4 18.5 95 308 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.909 108.6 53.0 -63.0 -39.8 -7.9 -2.1 19.1 96 309 A Q H X S+ 0 0 90 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.907 109.3 48.9 -63.0 -38.5 -6.8 -0.9 15.7 97 310 A R H X S+ 0 0 67 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.889 109.9 50.8 -67.8 -37.9 -7.7 2.7 16.5 98 311 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 6,-0.7 0.898 113.7 46.3 -64.2 -38.7 -5.9 2.5 19.9 99 312 A Y H ><5S+ 0 0 3 -4,-2.3 3,-1.5 4,-0.2 -2,-0.2 0.917 109.9 52.0 -68.8 -45.4 -2.8 1.2 18.1 100 313 A E H 3<5S+ 0 0 71 -4,-2.6 236,-0.5 1,-0.3 233,-0.3 0.788 109.2 50.9 -65.5 -23.8 -3.0 3.8 15.3 101 314 A A T 3<5S- 0 0 26 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.514 119.3-115.5 -87.2 -8.0 -3.2 6.5 17.9 102 315 A G T < 5S+ 0 0 13 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.564 82.0 119.5 86.4 11.6 -0.1 5.0 19.6 103 316 A Y S - 0 0 31 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.241 26.0-112.0 -68.2 160.4 10.4 -6.5 25.7 116 329 A Q H > S+ 0 0 126 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 119.4 54.6 -61.0 -38.8 13.0 -5.6 28.4 117 330 A D H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 108.5 47.7 -60.5 -44.1 11.9 -2.0 28.2 118 331 A A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.887 112.8 48.7 -65.2 -37.7 8.3 -2.9 28.8 119 332 A V H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.931 111.8 48.5 -68.3 -43.9 9.2 -5.1 31.8 120 333 A N H X S+ 0 0 90 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.915 112.5 51.3 -59.4 -43.8 11.4 -2.4 33.3 121 334 A M H X S+ 0 0 49 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.932 114.0 40.1 -60.8 -50.4 8.5 0.1 32.8 122 335 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.868 112.7 53.7 -73.4 -34.1 5.9 -2.0 34.5 123 336 A R H X S+ 0 0 47 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.892 109.6 50.5 -66.2 -33.3 8.0 -3.2 37.3 124 337 A G H X S+ 0 0 31 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.920 109.8 50.3 -67.5 -41.8 8.9 0.4 38.1 125 338 A Y H X S+ 0 0 32 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.920 111.0 48.9 -62.2 -41.9 5.2 1.2 38.1 126 339 A I H X>S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-2.0 0.921 110.7 49.7 -64.4 -43.8 4.4 -1.6 40.5 127 340 A S H <5S+ 0 0 39 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.885 117.5 41.5 -63.3 -38.3 7.2 -0.6 42.9 128 341 A D H <5S+ 0 0 139 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.874 127.4 27.6 -77.5 -37.9 6.0 3.0 42.9 129 342 A N H <5S+ 0 0 90 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.624 131.6 22.4-103.6 -17.6 2.3 2.4 43.0 130 343 A F T <5S- 0 0 45 -4,-2.7 -3,-0.2 -5,-0.3 3,-0.1 0.713 98.4-114.4-119.7 -38.7 1.7 -0.9 44.8 131 344 A G > < - 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0 0 28 -2,-0.3 4,-2.4 -233,-0.3 5,-0.2 -0.361 29.0-106.6 -77.5 164.0 0.4 8.9 12.5 334 301 B V H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 117.8 49.4 -57.3 -48.6 3.6 9.9 14.3 335 302 B K H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 113.1 46.8 -58.3 -49.8 3.2 7.5 17.2 336 303 B K H > S+ 0 0 11 -236,-0.5 4,-2.4 1,-0.2 5,-0.2 0.913 111.4 51.7 -60.6 -45.1 2.5 4.5 14.9 337 304 B T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.933 110.9 47.3 -59.3 -45.5 5.4 5.4 12.6 338 305 B M H X S+ 0 0 12 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.826 109.8 52.9 -68.3 -29.9 7.8 5.6 15.5 339 306 B M H X S+ 0 0 34 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.920 114.1 42.9 -69.8 -42.4 6.6 2.3 17.0 340 307 B M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.897 112.4 52.2 -69.5 -41.1 7.2 0.5 13.7 341 308 B A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.914 108.0 53.2 -62.1 -39.5 10.5 2.2 13.0 342 309 B Q H X S+ 0 0 69 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.921 109.2 48.5 -62.2 -40.8 11.6 1.1 16.5 343 310 B R H X S+ 0 0 54 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.884 110.0 50.9 -66.9 -36.7 10.7 -2.5 15.7 344 311 B L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 6,-0.6 0.901 113.9 45.9 -66.8 -37.8 12.5 -2.4 12.3 345 312 B Y H ><5S+ 0 0 98 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.908 110.0 52.4 -68.8 -46.6 15.6 -1.1 14.1 346 313 B E H 3<5S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.2 50.7 -62.5 -26.5 15.4 -3.6 16.9 347 314 B A T 3<5S- 0 0 47 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.482 118.8-115.8 -86.5 -6.0 15.2 -6.4 14.2 348 315 B G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.639 82.0 119.2 82.2 17.2 18.3 -4.8 12.6 349 316 B Y S - 0 0 37 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.242 25.3-113.1 -69.8 161.2 28.8 6.5 6.3 362 329 B Q H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 119.5 52.9 -61.8 -37.6 31.4 5.7 3.7 363 330 B D H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 108.7 48.7 -65.4 -39.5 30.3 2.1 3.9 364 331 B A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.887 112.3 49.0 -66.7 -39.1 26.6 3.0 3.3 365 332 B V H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.942 111.7 48.4 -65.6 -46.7 27.6 5.1 0.3 366 333 B N H X S+ 0 0 89 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 112.3 50.6 -57.9 -45.6 29.8 2.4 -1.2 367 334 B M H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.935 114.0 41.5 -60.0 -49.8 26.9 -0.1 -0.7 368 335 B V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.857 112.5 52.6 -72.5 -33.6 24.2 1.9 -2.4 369 336 B R H X S+ 0 0 48 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.897 109.8 50.9 -67.4 -34.8 26.4 3.2 -5.2 370 337 B G H X S+ 0 0 33 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.900 110.2 49.8 -65.4 -40.3 27.3 -0.5 -5.9 371 338 B Y H X S+ 0 0 30 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.915 111.1 48.5 -63.5 -44.3 23.6 -1.4 -5.9 372 339 B I H X>S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-2.0 0.909 111.2 49.5 -63.3 -44.8 22.7 1.5 -8.3 373 340 B S H <5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 117.4 42.1 -61.7 -39.2 25.5 0.5 -10.7 374 341 B D H <5S+ 0 0 139 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.867 127.1 27.3 -76.6 -37.3 24.4 -3.1 -10.7 375 342 B N H <5S+ 0 0 89 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.620 131.4 20.8-105.1 -17.4 20.6 -2.6 -10.9 376 343 B F T <5S- 0 0 48 -4,-2.6 -3,-0.2 -5,-0.3 3,-0.2 0.696 99.2-111.6-122.7 -36.3 19.9 0.7 -12.7 377 344 B G > < - 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0 0 59 -2,-0.3 -30,-0.1 -30,-0.1 -74,-0.0 -0.962 29.0 -97.4-134.7 151.4 22.8 17.1 1.7 389 356 B A 0 0 97 -2,-0.3 -31,-0.1 1,-0.2 -74,-0.0 -0.365 360.0 360.0 -62.4 142.1 22.4 19.9 4.2 390 357 B S 0 0 98 -33,-0.1 -1,-0.2 -32,-0.1 0, 0.0 0.348 360.0 360.0-137.7 360.0 22.5 18.6 7.7 391 ! 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 0.0 392 365 B H 0 0 192 0, 0.0 2,-0.3 0, 0.0 -33,-0.1 0.000 360.0 360.0 360.0 168.8 25.0 10.5 13.9 393 366 B E - 0 0 53 -41,-0.1 -36,-0.3 -35,-0.1 -33,-0.2 -0.909 360.0 -94.4-136.1 161.4 23.6 9.1 10.6 394 367 B A - 0 0 0 -35,-2.8 2,-0.6 -2,-0.3 -76,-0.2 -0.193 48.5 -94.5 -67.6 166.1 20.4 9.2 8.6 395 368 B I B +Q 317 0E 0 -78,-2.7 -78,-0.5 -40,-0.1 -1,-0.1 -0.762 68.4 140.8 -84.2 119.0 17.7 6.6 8.9 396 369 B R - 0 0 26 -2,-0.6 -45,-2.1 -80,-0.1 26,-0.1 -0.948 56.4 -76.2-153.0 166.9 18.4 4.0 6.2 397 370 B P B -R 350 0F 0 0, 0.0 -47,-0.3 0, 0.0 3,-0.2 -0.393 31.6-137.9 -69.2 151.7 18.4 0.3 5.6 398 371 B S S S+ 0 0 53 -49,-2.3 2,-0.4 1,-0.3 -48,-0.1 0.820 96.4 26.1 -76.0 -32.4 21.2 -1.7 7.2 399 372 B D > - 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