==== 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 1CYY . COMPND 2 MOLECULE: DNA TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.FEINBERG,C.LIMA,A.MONDRAGON . 501 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 25.1 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 . 26 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3 3 2 0 1 1 0 0 0 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 . 5 6 0 2 2 0 1 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 1 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 1 218 A E 0 0 79 0, 0.0 2,-0.3 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 163.3 103.3 63.9 53.9 2 219 A F E -A 248 0A 41 246,-2.4 246,-3.2 2,-0.0 2,-0.3 -0.957 360.0-125.2-155.5 165.3 103.4 60.2 53.2 3 220 A W E -A 247 0A 1 28,-2.5 2,-0.3 -2,-0.3 244,-0.2 -0.876 10.9-161.4-122.7 155.3 101.0 57.7 51.7 4 221 A E E -A 246 0A 60 242,-2.2 242,-2.7 -2,-0.3 2,-0.4 -0.930 8.9-151.7-127.3 151.2 99.5 54.4 52.7 5 222 A V E -A 245 0A 1 16,-0.4 16,-3.0 -2,-0.3 2,-0.3 -0.985 8.0-169.4-130.8 123.7 97.9 51.7 50.5 6 223 A D E -AB 244 20A 65 238,-2.2 238,-3.1 -2,-0.4 2,-0.4 -0.821 9.8-155.1-106.3 148.9 95.2 49.3 51.6 7 224 A A E -AB 243 19A 1 12,-3.0 12,-3.1 -2,-0.3 2,-0.5 -0.983 9.1-151.5-130.4 139.8 94.1 46.4 49.5 8 225 A S E +AB 242 18A 41 234,-2.9 233,-3.1 -2,-0.4 234,-1.7 -0.914 28.2 170.2-106.7 129.5 90.9 44.4 49.3 9 226 A T E -AB 240 17A 3 8,-1.7 8,-2.5 -2,-0.5 2,-0.4 -0.875 29.8-126.0-134.5 169.9 91.3 40.8 48.2 10 227 A T E -AB 239 16A 2 229,-2.0 229,-2.2 -2,-0.3 6,-0.2 -0.972 23.8-132.6-120.2 131.3 89.3 37.6 48.0 11 228 A T > - 0 0 1 4,-3.2 3,-2.2 -2,-0.4 227,-0.1 -0.161 38.6 -91.1 -73.4 173.6 90.4 34.4 49.6 12 229 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 220,-0.1 0.877 129.5 51.5 -53.8 -38.8 90.3 31.0 47.7 13 230 A S T 3 S- 0 0 31 1,-0.0 323,-0.1 2,-0.0 -2,-0.1 0.180 126.0-100.3 -85.1 17.0 86.8 30.4 49.0 14 231 A G S < S+ 0 0 2 -3,-2.2 2,-0.2 321,-0.5 322,-0.1 0.657 74.9 143.3 76.1 16.2 85.6 33.8 47.8 15 232 A E - 0 0 64 216,-0.1 -4,-3.2 320,-0.1 2,-0.3 -0.629 53.3-105.5 -91.6 152.2 85.7 35.6 51.2 16 233 A A E +B 10 0A 50 459,-0.5 2,-0.4 -2,-0.2 -6,-0.2 -0.529 35.8 177.6 -78.0 134.1 86.8 39.2 51.8 17 234 A L E -B 9 0A 2 -8,-2.5 -8,-1.7 -2,-0.3 2,-0.4 -0.929 14.1-154.7-140.0 111.1 90.2 39.9 53.3 18 235 A A E -B 8 0A 48 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.703 18.3-178.4 -88.6 135.5 91.5 43.5 53.8 19 236 A L E -B 7 0A 4 -12,-3.1 -12,-3.0 -2,-0.4 2,-0.4 -0.890 21.9-138.7-130.9 159.3 95.2 44.0 53.9 20 237 A Q E -BC 6 206A 108 186,-2.1 186,-2.1 -2,-0.3 2,-0.7 -0.957 27.6-119.8-115.6 136.3 97.6 47.0 54.4 21 238 A V E + C 0 205A 12 -16,-3.0 -16,-0.4 -2,-0.4 184,-0.3 -0.681 42.2 165.6 -76.6 117.7 100.7 47.2 52.3 22 239 A T E + 0 0 37 182,-1.9 7,-2.5 -2,-0.7 2,-0.3 0.776 52.6 26.3-104.1 -33.9 103.5 47.1 54.9 23 240 A H E -DC 28 204A 43 181,-2.1 181,-2.5 5,-0.3 2,-0.4 -0.961 45.2-172.8-137.2 153.8 106.7 46.5 52.8 24 241 A Q E > S-DC 27 203A 51 3,-2.7 3,-1.4 -2,-0.3 179,-0.2 -0.977 86.3 -0.8-141.2 126.0 108.3 46.9 49.4 25 242 A N T 3 S- 0 0 98 177,-2.5 178,-0.1 -2,-0.4 -1,-0.1 0.873 130.0 -62.1 60.0 39.1 111.7 45.4 48.6 26 243 A D T 3 S+ 0 0 108 176,-0.6 -1,-0.3 1,-0.2 177,-0.1 0.533 119.7 96.9 67.1 9.3 111.8 44.0 52.2 27 244 A K E < S-D 24 0A 138 -3,-1.4 -3,-2.7 1,-0.1 -1,-0.2 -0.849 88.5 -68.6-124.3 161.7 111.7 47.5 53.7 28 245 A P E -D 23 0A 91 0, 0.0 2,-0.6 0, 0.0 -5,-0.3 -0.200 46.5-132.0 -52.3 131.7 108.9 49.7 55.1 29 246 A F + 0 0 15 -7,-2.5 -24,-0.1 175,-0.1 -4,-0.0 -0.782 50.9 134.1 -91.0 116.8 106.5 51.0 52.5 30 247 A R - 0 0 145 -2,-0.6 -26,-0.1 -26,-0.1 -1,-0.1 -0.360 33.3-164.5-160.8 66.1 105.8 54.7 52.9 31 248 A P - 0 0 11 0, 0.0 -28,-2.5 0, 0.0 -2,-0.0 -0.238 13.1-145.4 -56.0 147.8 105.9 56.6 49.6 32 249 A V S S+ 0 0 84 -30,-0.2 2,-0.3 215,-0.0 3,-0.1 0.581 70.0 28.8 -94.9 -9.8 106.2 60.3 50.0 33 250 A N S > S- 0 0 54 1,-0.1 4,-2.3 -30,-0.1 5,-0.2 -0.937 80.0-104.7-145.8 169.3 104.1 61.6 47.1 34 251 A K H > S+ 0 0 55 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.907 116.8 58.8 -58.9 -40.8 101.2 60.8 44.8 35 252 A E H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 110.1 39.9 -52.9 -57.0 103.7 60.0 42.0 36 253 A Q H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.864 116.2 52.3 -62.8 -38.1 105.5 57.2 43.9 37 254 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 108.1 49.0 -66.4 -46.0 102.2 55.9 45.4 38 255 A Q H X S+ 0 0 65 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.884 110.4 51.8 -63.3 -35.2 100.4 55.6 42.0 39 256 A A H X S+ 0 0 55 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.910 108.9 50.6 -65.7 -41.6 103.5 53.8 40.6 40 257 A A H X S+ 0 0 4 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.919 108.5 53.2 -62.0 -40.8 103.3 51.4 43.6 41 258 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.935 105.3 53.3 -59.9 -45.1 99.6 50.8 42.8 42 259 A S H X S+ 0 0 48 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.939 112.4 44.7 -55.4 -48.5 100.4 49.9 39.2 43 260 A L H X S+ 0 0 90 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.917 112.7 51.0 -61.3 -44.1 102.8 47.3 40.3 44 261 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.861 104.5 59.2 -61.4 -37.5 100.4 46.1 43.0 45 262 A E H 3< S+ 0 0 42 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.3 41.3 -59.4 -36.5 97.7 45.8 40.4 46 263 A K H 3< S+ 0 0 162 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.521 93.9 104.6 -94.0 -4.7 99.7 43.3 38.3 47 264 A A << - 0 0 25 -4,-0.8 2,-0.6 -3,-0.6 193,-0.2 -0.323 69.2-122.5 -79.7 159.2 101.2 41.1 41.1 48 265 A R - 0 0 228 191,-0.1 153,-0.7 -2,-0.1 2,-0.4 -0.896 29.8-146.9 -98.7 122.3 100.1 37.6 42.1 49 266 A Y E +EF 200 238A 10 189,-0.6 189,-2.0 -2,-0.6 2,-0.3 -0.744 25.9 160.4 -95.7 136.3 99.1 37.5 45.8 50 267 A S E -EF 199 237A 43 149,-1.8 149,-2.8 -2,-0.4 2,-0.7 -0.989 44.6-101.3-149.0 154.1 99.7 34.5 48.1 51 268 A V E -E 198 0A 3 185,-2.4 184,-3.3 182,-0.3 147,-0.3 -0.690 31.8-179.0 -81.1 117.1 99.8 33.9 51.8 52 269 A L E - 0 0 87 145,-2.2 2,-0.3 -2,-0.7 146,-0.2 0.785 66.0 -3.3 -84.3 -31.4 103.4 33.7 52.9 53 270 A E E -E 197 0A 101 144,-1.6 144,-2.8 180,-0.1 2,-0.4 -0.983 48.1-161.4-163.6 149.2 102.7 33.0 56.6 54 271 A R E -E 196 0A 35 -2,-0.3 2,-0.6 142,-0.2 142,-0.2 -0.967 14.5-162.8-135.4 114.2 100.0 32.7 59.2 55 272 A E E -E 195 0A 101 140,-2.3 140,-1.0 -2,-0.4 2,-0.3 -0.894 12.6-164.9-104.3 118.3 101.0 33.0 62.8 56 273 A D E -E 194 0A 65 -2,-0.6 138,-0.2 138,-0.2 136,-0.1 -0.781 21.3-179.2-108.9 147.8 98.4 31.7 65.3 57 274 A K E -E 193 0A 128 136,-1.0 136,-2.8 -2,-0.3 134,-0.1 -0.944 35.3-125.6-137.5 108.2 98.0 32.1 69.1 58 275 A P E +E 192 0A 111 0, 0.0 2,-0.3 0, 0.0 134,-0.2 -0.312 37.1 172.1 -59.6 135.8 94.9 30.2 70.3 59 276 A T E -E 191 0A 54 132,-2.5 132,-2.9 2,-0.0 2,-0.4 -0.973 19.6-151.8-142.7 157.1 92.4 32.2 72.3 60 277 A T E -E 190 0A 79 -2,-0.3 2,-0.5 130,-0.2 130,-0.2 -0.965 7.4-146.8-130.1 147.9 88.9 31.7 73.7 61 278 A S E -E 189 0A 30 128,-3.2 128,-2.7 -2,-0.4 156,-0.2 -0.945 13.9-147.4-120.7 113.9 86.1 34.2 74.3 62 279 A K - 0 0 153 -2,-0.5 125,-0.1 126,-0.2 122,-0.1 -0.498 24.6-110.1 -77.3 140.4 83.8 33.6 77.3 63 280 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.270 39.0-109.0 -64.7 159.6 80.2 34.7 77.0 64 281 A G - 0 0 35 1,-0.1 3,-0.1 116,-0.0 74,-0.0 -0.436 38.9 -88.8 -84.5 166.4 79.3 37.7 79.2 65 282 A A - 0 0 28 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.241 52.9 -86.8 -68.8 159.3 77.1 37.4 82.3 66 283 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 86,-0.1 -0.315 64.4 -82.6 -63.2 156.9 73.3 37.7 82.1 67 284 A F B -S 151 0B 8 84,-0.5 84,-3.0 110,-0.2 2,-0.3 -0.152 41.2-176.0 -66.2 154.0 72.2 41.4 82.2 68 285 A I > - 0 0 22 82,-0.2 4,-2.5 -3,-0.1 5,-0.3 -0.763 52.3 -82.7-130.7 175.7 71.6 43.5 85.3 69 286 A T H > S+ 0 0 26 36,-2.5 4,-1.8 -2,-0.3 5,-0.1 0.890 127.7 45.2 -52.0 -47.2 70.3 47.1 85.1 70 287 A S H > S+ 0 0 52 35,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.951 115.7 44.0 -63.6 -51.9 73.6 48.7 84.3 71 288 A T H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.822 111.7 54.2 -66.7 -28.7 74.8 46.2 81.6 72 289 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.903 108.5 49.7 -70.1 -39.8 71.3 46.2 80.0 73 290 A Q H X S+ 0 0 50 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.888 113.2 46.2 -65.5 -39.8 71.4 50.0 79.6 74 291 A Q H X S+ 0 0 123 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.928 115.7 45.2 -68.3 -44.9 74.9 49.8 78.1 75 292 A A H X>S+ 0 0 16 -4,-2.5 4,-3.1 1,-0.2 5,-0.6 0.886 112.0 51.0 -67.9 -38.6 74.0 47.0 75.7 76 293 A A H X>S+ 0 0 0 -4,-2.7 6,-2.0 2,-0.2 4,-1.3 0.867 112.0 48.5 -66.6 -36.4 70.7 48.6 74.6 77 294 A S H X5S+ 0 0 50 -4,-1.5 4,-1.1 4,-0.3 -2,-0.2 0.959 118.9 38.4 -65.6 -51.9 72.5 51.8 73.9 78 295 A T H <5S+ 0 0 54 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.929 127.6 30.6 -65.4 -53.4 75.2 50.2 71.9 79 296 A R H <5S+ 0 0 28 -4,-3.1 -3,-0.2 -5,-0.2 384,-0.2 0.825 137.4 20.9 -80.9 -31.1 73.3 47.5 70.0 80 297 A L H < - 0 0 46 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.228 33.1 -96.0 -75.9 175.4 68.8 55.8 75.7 84 301 A V H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 122.3 51.5 -61.0 -41.5 68.5 55.0 79.4 85 302 A K H > S+ 0 0 177 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 111.7 44.7 -61.9 -51.0 64.9 56.3 79.6 86 303 A K H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.898 112.4 54.2 -61.6 -39.6 63.6 54.3 76.7 87 304 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.935 110.6 43.1 -61.1 -50.2 65.4 51.2 77.9 88 305 A M H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.875 113.8 53.6 -65.3 -35.7 63.9 51.2 81.4 89 306 A M H X S+ 0 0 107 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.942 112.5 41.8 -63.3 -49.6 60.5 52.0 80.0 90 307 A M H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.885 114.4 52.1 -66.0 -37.1 60.5 49.0 77.6 91 308 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.895 108.9 52.3 -64.5 -38.7 62.0 46.8 80.3 92 309 A Q H X S+ 0 0 59 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.940 109.4 47.6 -60.7 -51.9 59.2 47.9 82.6 93 310 A R H X S+ 0 0 116 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.898 113.3 48.9 -57.4 -42.2 56.5 47.0 80.0 94 311 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 6,-0.7 0.919 111.6 49.1 -65.6 -42.6 58.2 43.6 79.5 95 312 A Y H ><5S+ 0 0 93 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.921 112.4 47.8 -62.5 -43.6 58.4 43.0 83.2 96 313 A E H 3<5S+ 0 0 136 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 106.8 55.0 -70.8 -24.2 54.7 43.9 83.7 97 314 A A T 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.554 118.8-114.8 -83.8 -7.7 53.5 41.7 80.8 98 315 A G T < 5S+ 0 0 43 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.627 83.2 119.9 85.6 15.6 55.3 38.9 82.6 99 316 A Y S - 0 0 20 -2,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.333 25.6-111.4 -71.5 160.5 67.8 30.7 89.8 112 329 A Q H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 119.1 51.9 -56.9 -45.2 68.2 26.9 89.6 113 330 A D H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 109.9 50.6 -64.1 -31.7 65.0 26.6 87.5 114 331 A A H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 110.2 48.3 -71.9 -42.9 66.4 29.2 85.1 115 332 A V H X S+ 0 0 20 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.948 114.8 45.5 -62.2 -47.5 69.7 27.5 84.7 116 333 A N H X S+ 0 0 80 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.875 112.5 52.3 -63.0 -39.8 68.0 24.1 84.1 117 334 A M H X S+ 0 0 49 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.925 113.4 41.5 -63.5 -46.3 65.6 25.7 81.6 118 335 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.894 113.4 52.3 -73.0 -36.8 68.3 27.4 79.5 119 336 A R H X S+ 0 0 44 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.865 109.4 51.5 -66.3 -31.7 70.6 24.4 79.5 120 337 A G H X S+ 0 0 30 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.945 110.6 47.8 -67.3 -45.8 67.7 22.3 78.4 121 338 A Y H X S+ 0 0 29 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.909 113.2 47.5 -59.4 -44.6 67.0 24.7 75.5 122 339 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.924 111.6 51.2 -63.6 -44.1 70.7 24.8 74.6 123 340 A S H < S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.3 45.7 -62.0 -34.8 70.8 21.0 74.7 124 341 A D H < S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.768 121.8 33.1 -80.1 -28.7 67.8 20.8 72.4 125 342 A N H < S+ 0 0 86 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.518 115.1 46.3-108.8 -6.7 68.8 23.3 69.8 126 343 A F S < S- 0 0 38 -4,-1.9 5,-0.0 -5,-0.2 -1,-0.0 -0.905 86.4 -92.1-134.3 162.6 72.5 23.1 69.5 127 344 A G > - 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0 0 9 -6,-2.3 -1,-0.2 -9,-0.1 -2,-0.1 -0.646 37.7-135.2 -84.2 131.3 88.7 34.0 36.6 339 300 B G > - 0 0 29 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.415 33.7-101.6 -76.0 160.5 88.7 35.7 33.2 340 301 B V H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 121.4 49.2 -50.9 -46.8 85.5 35.3 31.1 341 302 B K H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 111.8 49.3 -62.8 -38.3 86.9 32.6 28.8 342 303 B K H > S+ 0 0 93 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.899 112.7 47.6 -67.7 -41.1 88.2 30.6 31.8 343 304 B T H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.970 113.7 45.9 -63.5 -54.0 84.8 30.8 33.6 344 305 B M H X S+ 0 0 35 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.868 112.5 52.1 -57.9 -37.5 82.8 29.8 30.5 345 306 B M H X S+ 0 0 117 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.906 112.7 43.5 -66.9 -42.8 85.2 27.0 29.8 346 307 B M H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.868 114.4 52.0 -70.0 -34.8 84.9 25.6 33.3 347 308 B A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.964 107.7 50.1 -63.2 -52.4 81.2 26.2 33.1 348 309 B Q H X S+ 0 0 78 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.876 112.0 50.8 -52.6 -39.6 80.9 24.2 29.9 349 310 B R H X S+ 0 0 85 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.930 110.1 47.0 -65.0 -48.4 82.9 21.5 31.6 350 311 B L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.7 0.872 115.1 48.8 -62.6 -36.8 80.6 21.4 34.6 351 312 B Y H ><5S+ 0 0 91 -4,-2.9 3,-3.7 1,-0.2 -2,-0.2 0.978 107.2 50.4 -67.3 -58.1 77.6 21.3 32.3 352 313 B E H 3<5S+ 0 0 144 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 109.6 55.0 -55.3 -18.5 78.6 18.6 30.0 353 314 B A T 3<5S- 0 0 36 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.374 117.0-118.9 -94.2 0.7 79.4 16.5 33.1 354 315 B G T < 5S+ 0 0 46 -3,-3.7 -3,-0.2 2,-0.2 -2,-0.1 0.671 80.5 117.3 71.0 21.5 75.8 17.1 34.3 355 316 B Y S - 0 0 43 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.207 26.1-111.8 -62.3 155.4 62.1 25.4 38.8 368 329 B Q H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 120.4 52.0 -55.2 -40.4 59.7 24.3 41.6 369 330 B D H > S+ 0 0 134 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.936 108.2 50.5 -62.6 -46.0 61.7 21.2 42.0 370 331 B A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 112.5 47.2 -56.1 -50.1 64.9 23.2 42.4 371 332 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.941 113.6 45.8 -58.2 -51.9 63.4 25.4 45.0 372 333 B N H X S+ 0 0 92 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 112.1 54.6 -59.9 -38.9 61.9 22.6 47.0 373 334 B M H X S+ 0 0 53 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.957 112.8 39.7 -59.8 -53.5 65.2 20.8 46.7 374 335 B V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.862 113.2 54.2 -68.5 -35.0 67.3 23.7 48.1 375 336 B R H X S+ 0 0 42 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.850 106.7 53.7 -66.4 -31.3 64.8 24.6 50.8 376 337 B G H X S+ 0 0 30 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.931 109.4 47.9 -65.8 -43.7 64.9 21.0 52.0 377 338 B Y H X S+ 0 0 32 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.953 111.9 49.3 -60.6 -49.9 68.6 21.3 52.3 378 339 B I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.913 109.6 52.4 -56.7 -44.6 68.3 24.6 54.2 379 340 B S H < S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.888 114.5 42.1 -59.3 -41.4 65.8 23.1 56.6 380 341 B D H < S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 122.4 36.0 -77.1 -33.7 68.0 20.1 57.4 381 342 B N H < S+ 0 0 85 -4,-2.5 2,-0.3 -5,-0.2 -2,-0.2 0.564 116.4 40.3-100.6 -7.7 71.3 22.0 57.7 382 343 B F S < S- 0 0 40 -4,-2.0 5,-0.0 -5,-0.3 0, 0.0 -0.904 86.8 -86.1-137.9 164.9 70.4 25.3 59.3 383 344 B G > - 0 0 41 -2,-0.3 3,-0.8 1,-0.1 4,-0.2 0.075 45.0-103.0 -58.5 177.8 68.1 26.7 61.9 384 345 B K G > S+ 0 0 175 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.799 118.3 67.8 -74.7 -29.7 64.5 27.7 61.2 385 346 B K G 3 S+ 0 0 98 1,-0.3 -1,-0.2 54,-0.0 54,-0.1 0.654 94.0 61.0 -65.5 -12.7 65.5 31.4 61.1 386 347 B Y G < S+ 0 0 20 -3,-0.8 53,-1.2 -8,-0.1 -1,-0.3 0.563 88.8 77.3 -91.5 -9.5 67.4 30.6 57.9 387 348 B L S < S- 0 0 26 -3,-1.6 51,-0.1 51,-0.2 -1,-0.1 -0.876 80.7-129.8-107.3 114.1 64.4 29.4 55.9 388 349 B P - 0 0 11 0, 0.0 -2,-0.1 0, 0.0 4,-0.1 -0.211 17.8-123.6 -56.3 149.1 62.1 32.1 54.5 389 350 B E S S+ 0 0 200 1,-0.1 50,-0.0 2,-0.1 -2,-0.0 0.938 100.7 23.2 -59.6 -44.6 58.4 31.5 55.2 390 351 B S S S- 0 0 78 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.890 102.0 -91.9-120.5 151.9 57.8 31.7 51.4 391 352 B P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.024 39.7-112.4 -55.0 163.5 60.4 31.0 48.6 392 353 B N - 0 0 39 -4,-0.1 2,-0.4 44,-0.0 47,-0.0 -0.902 31.0-167.9-103.4 125.4 62.4 33.9 47.1 393 354 B Q - 0 0 118 -2,-0.6 2,-0.3 -72,-0.0 -28,-0.1 -0.860 7.2-151.1-109.8 146.4 61.6 34.8 43.5 394 355 B Y - 0 0 49 -2,-0.4 -30,-0.1 -30,-0.3 2,-0.1 -0.898 19.2-106.8-120.8 151.2 63.9 37.1 41.5 395 356 B A 0 0 101 -2,-0.3 -74,-0.1 1,-0.2 -31,-0.0 -0.414 360.0 360.0 -70.9 146.2 63.2 39.5 38.6 396 357 B S 0 0 107 -2,-0.1 -1,-0.2 -33,-0.1 -31,-0.0 0.386 360.0 360.0-148.7 360.0 64.3 38.5 35.1 397 ! 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 0.0 398 363 B E 0 0 183 0, 0.0 -37,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.5 66.6 31.3 25.6 399 364 B A - 0 0 38 -39,-0.5 -38,-0.1 1,-0.1 3,-0.1 0.710 360.0-156.9 -23.9 -71.5 67.5 29.1 28.6 400 365 B H + 0 0 136 1,-0.1 2,-0.3 -34,-0.0 -1,-0.1 0.346 64.4 67.9 96.8 -4.2 64.6 29.8 31.1 401 366 B E S S- 0 0 43 -43,-0.1 -38,-0.4 -38,-0.1 -35,-0.2 -0.995 80.2-112.5-145.4 148.6 66.5 28.8 34.3 402 367 B A - 0 0 0 -37,-2.9 2,-0.5 -2,-0.3 -78,-0.2 -0.256 45.1 -89.4 -73.1 163.9 69.4 30.2 36.3 403 368 B I B +U 323 0D 1 -80,-2.7 -80,-0.5 -40,-0.1 -1,-0.1 -0.666 69.2 140.4 -77.8 125.0 72.7 28.5 36.6 404 369 B R - 0 0 27 -2,-0.5 -47,-2.4 -82,-0.1 2,-0.2 -0.955 55.4 -77.2-157.2 166.1 72.6 26.2 39.6 405 370 B P B -V 356 0E 0 0, 0.0 -49,-0.3 0, 0.0 3,-0.2 -0.490 29.7-135.2 -74.2 143.5 73.7 22.7 40.7 406 371 B S S S+ 0 0 55 -51,-3.3 2,-0.4 1,-0.3 -50,-0.1 0.841 98.6 25.4 -63.6 -33.5 71.8 19.8 39.3 407 372 B D > - 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