==== 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 3KQH . COMPND 2 MOLECULE: SERINE PROTEASE/NTPASE/HELICASE NS3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR M.GU,C.M.RICE . 872 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.9 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 . 7 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 . 3 0.3 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 . 70 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 0 4 5 2 0 1 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 3 9 6 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 PARALLEL BRIDGES PER LADDER . 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 3 0 0 1 3 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 0 170 0, 0.0 3,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -48.4 26.2 4.2 -3.4 2 190 A P - 0 0 38 0, 0.0 12,-0.0 0, 0.0 20,-0.0 -0.285 360.0 -67.6 -70.1 159.0 24.1 3.3 -6.5 3 191 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 9,-0.0 -0.139 58.5-113.0 -47.2 133.4 25.6 1.3 -9.4 4 192 A A - 0 0 88 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.497 24.7-117.4 -73.8 138.9 28.4 3.2 -11.2 5 193 A V - 0 0 20 -2,-0.2 124,-0.1 124,-0.1 -1,-0.1 -0.694 34.8-138.2 -79.6 110.2 27.6 4.2 -14.8 6 194 A P - 0 0 34 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 -0.258 15.1-118.7 -68.5 154.2 30.2 2.4 -16.9 7 195 A Q S S+ 0 0 178 2,-0.1 2,-0.1 -2,-0.0 3,-0.1 0.942 102.3 34.5 -56.7 -49.0 32.0 4.0 -19.9 8 196 A T S S- 0 0 91 1,-0.1 2,-0.1 0, 0.0 120,-0.0 -0.416 112.1 -68.1 -98.2 176.7 30.5 1.4 -22.2 9 197 A F + 0 0 33 -2,-0.1 2,-0.3 120,-0.1 120,-0.2 -0.421 60.3 161.5 -70.6 139.5 27.1 -0.3 -22.1 10 198 A Q E -a 129 0A 114 118,-0.9 120,-1.9 -2,-0.1 2,-0.5 -0.989 35.7-131.0-155.0 156.1 26.5 -2.7 -19.2 11 199 A V E -a 130 0A 51 -2,-0.3 2,-0.3 118,-0.2 120,-0.2 -0.963 30.7-172.2-114.4 119.7 23.6 -4.4 -17.3 12 200 A A E -a 131 0A 24 118,-3.1 120,-2.5 -2,-0.5 2,-0.3 -0.838 17.0-133.6-116.2 152.6 23.8 -4.1 -13.6 13 201 A H E -a 132 0A 72 -2,-0.3 2,-0.4 118,-0.2 120,-0.2 -0.771 9.4-160.8-101.5 145.4 21.8 -5.7 -10.7 14 202 A L E -a 133 0A 25 118,-2.1 120,-1.9 -2,-0.3 2,-0.7 -0.790 10.6-179.2-130.3 89.0 20.5 -3.8 -7.7 15 203 A H E +a 134 0A 109 -2,-0.4 120,-0.2 118,-0.2 118,-0.1 -0.798 27.0 128.9 -92.3 111.8 19.6 -6.0 -4.8 16 204 A A - 0 0 41 118,-1.4 6,-0.1 -2,-0.7 120,-0.1 -0.969 47.3-122.1-162.6 145.4 18.3 -4.0 -1.9 17 205 A P S S+ 0 0 100 0, 0.0 3,-0.3 0, 0.0 5,-0.2 -0.110 71.9 61.9 -79.4-178.5 15.3 -4.0 0.5 18 206 A T S > S- 0 0 48 1,-0.2 2,-2.5 2,-0.1 4,-0.6 0.934 75.3-124.9 63.0 100.1 12.7 -1.2 1.2 19 207 A G T 4 S+ 0 0 57 1,-0.2 -1,-0.2 698,-0.2 700,-0.1 -0.429 91.9 65.2 -74.0 73.6 10.7 -0.4 -2.0 20 208 A S T >> S+ 0 0 2 -2,-2.5 3,-1.0 -3,-0.3 4,-0.8 0.312 89.3 47.3-151.6 -64.1 11.5 3.3 -2.0 21 209 A G G >4>S+ 0 0 11 -3,-0.4 5,-2.9 1,-0.2 3,-0.8 0.879 104.8 62.5 -59.6 -40.5 15.1 4.4 -2.6 22 210 A K G 3<5S+ 0 0 17 -4,-0.6 -1,-0.2 1,-0.3 -3,-0.1 0.772 116.2 31.8 -57.8 -26.7 15.5 2.0 -5.5 23 211 A S G <45S+ 0 0 0 -3,-1.0 -1,-0.3 3,-0.1 -2,-0.2 0.425 137.9 18.7-110.8 -1.5 12.8 3.9 -7.4 24 212 A T T 5S+ 0 0 62 -5,-0.3 4,-2.5 2,-0.2 -3,-0.2 0.952 116.0 50.7 -61.7 -53.4 16.7 7.9 -4.3 26 214 A V H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 112.2 56.8 -63.3 -37.3 17.2 7.8 -9.9 28 216 A A H X S+ 0 0 13 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.890 107.8 49.3 -59.6 -38.3 17.4 11.1 -8.1 29 217 A A H >X S+ 0 0 35 -4,-2.5 4,-1.1 2,-0.2 3,-0.9 0.967 108.7 50.2 -64.8 -55.3 21.2 10.6 -7.6 30 218 A Y H ><>S+ 0 0 1 -4,-2.1 5,-1.2 1,-0.3 3,-0.8 0.888 108.7 53.1 -51.4 -43.9 21.8 9.7 -11.3 31 219 A A H ><5S+ 0 0 16 -4,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.829 101.2 61.5 -63.0 -30.2 20.0 12.8 -12.4 32 220 A A H <<5S+ 0 0 89 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.816 100.4 53.9 -65.4 -30.4 22.2 14.9 -10.1 33 221 A Q T <<5S- 0 0 121 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.304 130.2 -97.1 -86.6 9.2 25.2 13.8 -12.1 34 222 A G T < 5S+ 0 0 63 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.877 76.8 143.9 79.7 38.9 23.5 15.0 -15.2 35 223 A Y < - 0 0 69 -5,-1.2 2,-0.6 -6,-0.1 -1,-0.2 -0.844 50.8-127.0-113.1 149.4 22.1 11.8 -16.4 36 224 A K - 0 0 108 -2,-0.3 62,-2.1 41,-0.1 61,-1.7 -0.831 34.8-165.8 -92.6 124.1 18.8 11.0 -18.2 37 225 A V E -bc 77 98A 0 39,-3.2 41,-2.4 -2,-0.6 2,-0.5 -0.932 18.5-166.6-122.2 139.9 16.9 8.3 -16.3 38 226 A L E -bc 78 99A 6 60,-2.2 62,-3.8 -2,-0.4 2,-0.6 -0.985 8.6-165.4-121.0 125.7 13.9 6.1 -17.1 39 227 A V E -bc 79 100A 0 39,-3.0 41,-2.4 -2,-0.5 2,-0.4 -0.951 5.9-163.7-117.3 113.4 12.3 4.2 -14.2 40 228 A L E +bc 80 101A 0 60,-3.2 62,-2.2 -2,-0.6 41,-0.3 -0.801 11.0 174.8-100.3 136.5 9.9 1.4 -15.3 41 229 A N E -b 81 0A 5 39,-1.7 41,-0.7 -2,-0.4 42,-0.2 -1.000 33.9-134.8-141.9 139.0 7.4 -0.1 -12.8 42 230 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 41,-0.2 0.830 85.5 76.7 -61.1 -33.7 4.7 -2.8 -13.4 43 231 A S > - 0 0 29 1,-0.1 4,-1.6 38,-0.1 -2,-0.1 -0.595 62.5-157.4 -84.7 138.6 2.0 -0.8 -11.4 44 232 A V H > S+ 0 0 63 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.918 98.1 49.7 -76.7 -42.6 0.2 2.3 -12.8 45 233 A A H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 111.5 49.8 -63.4 -36.8 -0.6 3.6 -9.3 46 234 A A H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 110.4 49.6 -68.0 -45.7 3.1 3.2 -8.2 47 235 A T H X S+ 0 0 0 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.926 114.9 43.3 -60.1 -44.3 4.3 5.0 -11.3 48 236 A L H X S+ 0 0 44 -4,-2.7 4,-1.1 1,-0.2 3,-0.3 0.839 111.1 58.8 -69.9 -29.2 1.9 7.9 -10.7 49 237 A G H X S+ 0 0 37 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.853 99.3 54.8 -67.7 -36.5 2.8 7.7 -7.1 50 238 A F H X S+ 0 0 27 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.761 100.2 63.9 -69.8 -22.9 6.5 8.3 -7.7 51 239 A G H X S+ 0 0 8 -4,-0.8 4,-1.3 -3,-0.3 -1,-0.2 0.947 104.5 42.9 -65.2 -48.6 5.6 11.4 -9.6 52 240 A A H X S+ 0 0 69 -4,-1.1 4,-1.5 1,-0.2 5,-0.2 0.884 116.2 48.1 -65.5 -40.7 4.1 13.2 -6.6 53 241 A Y H X S+ 0 0 30 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.866 105.6 56.8 -70.1 -38.6 6.9 12.1 -4.2 54 242 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 6,-0.8 0.879 106.0 52.5 -59.9 -39.7 9.8 13.1 -6.4 55 243 A S H X S+ 0 0 27 -4,-1.3 4,-2.2 4,-0.2 -2,-0.2 0.993 116.7 34.9 -59.8 -64.2 8.5 16.7 -6.6 56 244 A K H < S+ 0 0 59 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.733 124.4 46.3 -64.5 -23.3 8.2 17.3 -2.9 57 245 A A H < S+ 0 0 6 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.839 132.6 10.6 -91.3 -34.6 11.3 15.2 -2.2 58 246 A H H < S- 0 0 57 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.249 95.8-118.1-128.3 10.1 13.8 16.4 -4.7 59 247 A G S < S+ 0 0 63 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.2 0.878 77.5 113.6 53.2 44.6 12.1 19.4 -6.1 60 248 A I - 0 0 58 -6,-0.8 -2,-0.1 -5,-0.1 -1,-0.1 -0.878 61.7-140.2-150.8 112.6 11.9 18.0 -9.6 61 249 A D - 0 0 100 -2,-0.3 14,-0.4 -6,-0.1 16,-0.1 -0.621 28.5-150.7 -72.8 105.4 8.7 17.1 -11.5 62 250 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 16,-0.2 -0.274 22.5 -96.4 -75.7 162.9 9.5 13.9 -13.4 63 251 A N E -d 78 0A 13 14,-3.0 16,-4.2 12,-0.1 2,-0.5 -0.627 38.7-153.9 -79.5 137.1 7.9 12.9 -16.6 64 252 A I E -dE 79 71A 10 7,-2.3 7,-3.3 -2,-0.3 2,-0.5 -0.967 14.3-179.7-119.2 124.4 5.0 10.4 -16.1 65 253 A R E +dE 80 70A 61 14,-2.7 16,-1.3 -2,-0.5 2,-0.3 -0.958 19.1 139.8-128.2 113.7 4.0 7.9 -18.8 66 254 A T - 0 0 0 3,-1.0 -2,-0.0 -2,-0.5 -22,-0.0 -0.939 61.5-103.9-143.1 163.5 1.0 5.6 -18.2 67 255 A G S S+ 0 0 64 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.901 119.0 37.4 -57.9 -41.2 -1.8 4.3 -20.3 68 256 A V S S+ 0 0 117 1,-0.2 2,-0.4 -3,-0.0 -1,-0.1 0.993 126.0 18.2 -73.8 -67.3 -4.3 6.6 -18.6 69 257 A R - 0 0 141 2,-0.0 -3,-1.0 -4,-0.0 2,-0.4 -0.885 59.7-170.1-115.4 139.7 -2.4 9.8 -18.0 70 258 A T E -E 65 0A 59 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.972 4.7-176.6-125.3 141.4 0.8 11.2 -19.6 71 259 A I E -E 64 0A 70 -7,-3.3 -7,-2.3 -2,-0.4 2,-0.4 -0.967 7.0-163.6-141.9 122.5 2.7 14.2 -18.4 72 260 A T + 0 0 110 -2,-0.4 -9,-0.1 -9,-0.2 6,-0.0 -0.877 21.1 157.9-108.1 136.4 5.9 15.8 -19.9 73 261 A T - 0 0 60 -2,-0.4 -1,-0.1 2,-0.2 -12,-0.1 0.337 54.7-119.1-134.1 -1.3 8.0 18.2 -18.0 74 262 A G + 0 0 71 1,-0.2 4,-0.1 2,-0.0 -2,-0.1 0.454 63.7 151.7 73.4 -3.9 11.3 17.9 -19.9 75 263 A A - 0 0 20 -14,-0.4 -1,-0.2 1,-0.1 -2,-0.2 -0.171 58.4-118.9 -58.0 155.2 12.8 16.7 -16.6 76 264 A P S S+ 0 0 55 0, 0.0 -39,-3.2 0, 0.0 2,-0.4 0.575 96.6 68.9 -72.5 -11.1 15.8 14.3 -16.7 77 265 A I E -b 37 0A 1 -41,-0.2 -14,-3.0 -16,-0.1 2,-0.4 -0.935 62.6-173.9-116.1 133.9 13.8 11.7 -14.9 78 266 A T E -bd 38 63A 6 -41,-2.4 -39,-3.0 -2,-0.4 2,-0.5 -0.988 8.5-158.9-128.8 130.1 10.8 9.8 -16.4 79 267 A Y E +bd 39 64A 0 -16,-4.2 -14,-2.7 -2,-0.4 2,-0.3 -0.912 25.5 154.0-107.8 133.4 8.5 7.3 -14.6 80 268 A S E -bd 40 65A 2 -41,-2.4 -39,-1.7 -2,-0.5 -14,-0.2 -0.991 39.5-115.6-155.6 154.5 6.6 4.9 -16.7 81 269 A T E > -b 41 0A 7 -16,-1.3 4,-1.6 -2,-0.3 5,-0.1 -0.380 33.3-114.5 -82.7 167.9 5.0 1.5 -16.5 82 270 A Y H > S+ 0 0 0 -41,-0.7 4,-2.8 2,-0.2 5,-0.2 0.920 116.1 56.7 -70.3 -39.0 6.2 -1.4 -18.6 83 271 A G H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.948 109.4 42.1 -54.3 -55.6 2.9 -1.4 -20.4 84 272 A K H > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.861 112.3 56.7 -61.9 -35.3 3.1 2.2 -21.5 85 273 A F H <>S+ 0 0 7 -4,-1.6 5,-2.0 2,-0.2 -1,-0.2 0.924 108.7 46.1 -61.3 -45.8 6.8 1.7 -22.3 86 274 A L H ><5S+ 0 0 5 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.916 109.7 53.3 -63.8 -45.3 5.9 -1.2 -24.7 87 275 A A H 3<5S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.760 102.1 61.0 -62.3 -24.5 3.1 0.8 -26.3 88 276 A D T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.376 124.8-104.1 -83.9 6.6 5.6 3.6 -26.9 89 277 A G T < 5 - 0 0 47 -3,-2.2 2,-0.3 -5,-0.1 -3,-0.2 0.514 56.8 -91.9 87.0 4.2 7.6 1.2 -29.1 90 278 A G S - 0 0 60 -2,-0.3 3,-0.9 1,-0.1 2,-0.8 -0.479 36.7 -91.0 -75.5 146.9 13.6 5.9 -27.8 93 281 A G T 3 S- 0 0 80 1,-0.3 33,-0.1 -2,-0.1 -1,-0.1 -0.438 103.5 -19.0 -62.8 102.8 16.7 6.7 -30.0 94 282 A G T 3 S+ 0 0 49 31,-2.9 -1,-0.3 -2,-0.8 32,-0.2 0.982 96.6 128.0 63.8 60.7 19.0 8.3 -27.5 95 283 A A < + 0 0 26 -3,-0.9 2,-0.3 30,-0.4 -2,-0.1 0.713 67.0 24.9-114.3 -33.7 16.6 9.3 -24.8 96 284 A Y - 0 0 46 -4,-0.4 -1,-0.3 29,-0.2 -59,-0.2 -0.983 46.5-160.8-137.1 147.9 18.1 8.0 -21.6 97 285 A D S S+ 0 0 47 -61,-1.7 31,-3.1 -2,-0.3 32,-2.0 0.728 89.7 35.0 -93.6 -26.8 21.5 7.0 -20.4 98 286 A I E -cf 37 129A 0 -62,-2.1 -60,-2.2 30,-0.2 2,-0.5 -0.991 65.5-167.1-134.3 126.3 20.2 4.8 -17.6 99 287 A I E -cf 38 130A 4 30,-2.2 32,-2.7 -2,-0.4 2,-0.6 -0.958 9.5-158.0-115.6 117.0 17.1 2.6 -17.6 100 288 A I E -cf 39 131A 0 -62,-3.8 -60,-3.2 -2,-0.5 2,-0.9 -0.851 3.9-160.6-100.3 121.3 15.9 1.3 -14.3 101 289 A C E > -cf 40 132A 0 30,-3.8 32,-1.3 -2,-0.6 3,-0.7 -0.829 18.9-162.2-100.6 94.3 13.7 -1.9 -14.4 102 290 A D T 3 + 0 0 0 -62,-2.2 32,-0.2 -2,-0.9 -79,-0.0 -0.398 68.9 17.1 -77.3 154.3 12.0 -1.8 -11.0 103 291 A E T > S+ 0 0 49 30,-0.4 3,-2.9 1,-0.2 -1,-0.2 0.822 73.9 168.1 52.9 34.3 10.3 -4.9 -9.4 104 292 A C T < + 0 0 2 29,-2.0 -1,-0.2 -3,-0.7 30,-0.1 0.490 63.8 73.6 -57.0 -2.1 12.3 -6.9 -12.0 105 293 A H T 3 + 0 0 27 28,-0.2 -1,-0.3 229,-0.1 191,-0.2 0.610 69.9 115.2 -86.9 -13.1 11.3 -10.0 -10.0 106 294 A S < - 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0 0 68 -2,-0.5 4,-2.5 1,-0.1 3,-0.3 -0.420 31.2-111.3 -70.5 152.0 14.1 8.2 52.7 755 506 B P H > S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.866 121.5 57.1 -52.2 -33.2 16.8 10.1 51.0 756 507 B A H > S+ 0 0 49 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.912 106.3 46.6 -64.4 -45.0 19.1 7.3 52.2 757 508 B E H > S+ 0 0 83 -3,-0.3 4,-1.9 1,-0.2 3,-0.3 0.951 111.2 52.2 -62.2 -48.2 17.0 4.6 50.5 758 509 B T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.878 107.1 54.6 -55.3 -38.3 16.9 6.6 47.3 759 510 B S H X S+ 0 0 13 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.893 104.8 52.3 -64.2 -41.0 20.7 6.9 47.4 760 511 B V H X S+ 0 0 72 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.915 113.3 44.3 -60.4 -45.1 21.2 3.2 47.6 761 512 B R H X S+ 0 0 17 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.920 115.1 46.2 -67.3 -46.9 19.0 2.6 44.5 762 513 B L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.866 108.6 57.4 -64.6 -35.9 20.5 5.4 42.5 763 514 B R H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.930 103.6 52.6 -60.8 -43.6 24.0 4.2 43.4 764 515 B A H X S+ 0 0 14 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.869 109.5 50.9 -59.1 -36.3 23.2 0.8 42.0 765 516 B Y H < S+ 0 0 4 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.891 112.5 44.2 -68.5 -42.2 22.1 2.6 38.8 766 517 B L H < S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.746 109.3 57.4 -74.7 -24.8 25.4 4.6 38.5 767 518 B N H < S+ 0 0 112 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.659 90.2 89.3 -79.2 -13.9 27.5 1.6 39.4 768 519 B T S >< S- 0 0 28 -4,-0.6 3,-0.9 -3,-0.4 2,-0.1 -0.731 75.1-138.6 -89.9 119.5 26.0 -0.2 36.4 769 520 B P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.358 80.4 41.8 -72.6 154.1 28.0 0.2 33.1 770 521 B G T 3 S+ 0 0 40 1,-0.3 3,-0.1 -37,-0.1 -2,-0.0 0.319 89.8 106.8 94.9 -9.8 26.1 0.8 29.9 771 522 B L S < S- 0 0 5 -3,-0.9 -1,-0.3 -6,-0.2 -229,-0.1 -0.626 84.4 -77.8-102.0 163.5 23.5 3.1 31.2 772 523 B P - 0 0 3 0, 0.0 -38,-0.2 0, 0.0 2,-0.2 -0.291 55.9-147.3 -55.6 137.7 23.1 6.9 30.7 773 524 B V B +k 734 0O 94 -40,-2.8 -38,-1.5 -3,-0.1 2,-0.3 -0.610 24.1 166.0-109.6 169.2 25.5 8.7 33.0 774 525 B C - 0 0 28 -2,-0.2 -38,-0.1 -40,-0.2 -40,-0.0 -0.954 48.9 -59.8-169.7 163.5 25.6 12.0 34.9 775 526 B Q - 0 0 116 -40,-0.3 2,-1.3 -2,-0.3 -40,-0.0 -0.189 53.8-116.1 -53.1 142.7 27.6 13.7 37.6 776 527 B D + 0 0 88 1,-0.2 3,-0.2 2,-0.0 -1,-0.1 -0.648 58.2 142.9 -87.6 88.2 27.7 11.9 40.9 777 528 B H > + 0 0 40 -2,-1.3 4,-2.6 1,-0.1 5,-0.3 -0.015 26.5 120.5-112.8 27.2 25.9 14.2 43.3 778 529 B L H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 74.1 49.1 -58.4 -49.2 24.1 11.6 45.3 779 530 B E H > S+ 0 0 153 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 114.0 47.1 -57.8 -43.6 25.6 12.5 48.6 780 531 B F H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.980 115.0 43.3 -62.6 -59.7 24.8 16.2 48.1 781 532 B W H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.890 113.4 53.1 -55.9 -39.1 21.2 15.7 47.0 782 533 B E H X S+ 0 0 54 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.884 108.5 51.2 -63.7 -36.3 20.7 13.2 49.7 783 534 B S H X S+ 0 0 38 -4,-1.9 4,-1.0 -3,-0.4 -1,-0.2 0.874 108.0 52.2 -66.6 -40.3 22.0 15.7 52.3 784 535 B V H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.973 113.9 40.8 -61.1 -57.0 19.6 18.4 51.1 785 536 B F H >< S+ 0 0 5 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.763 103.4 68.4 -65.7 -25.9 16.5 16.3 51.3 786 537 B T H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 102.6 47.3 -63.4 -30.3 17.5 14.7 54.6 787 538 B G T << S+ 0 0 21 -4,-1.0 2,-1.7 -3,-0.9 -1,-0.2 0.566 87.0 90.7 -87.9 -7.4 17.1 18.1 56.3 788 539 B L < + 0 0 1 -3,-0.9 3,-0.3 -4,-0.4 2,-0.2 -0.477 62.3 155.3 -87.8 69.3 13.7 18.9 54.7 789 540 B T + 0 0 70 -2,-1.7 -2,-0.0 1,-0.2 -3,-0.0 -0.512 44.3 27.3 -98.2 163.4 11.6 17.4 57.5 790 541 B H S S- 0 0 153 -2,-0.2 -1,-0.2 1,-0.1 2,-0.0 0.941 74.7-176.8 57.0 52.0 8.0 18.0 58.7 791 542 B I - 0 0 31 -3,-0.3 2,-0.8 1,-0.1 21,-0.1 -0.316 38.4 -93.5 -73.3 163.1 6.7 19.3 55.4 792 543 B D > - 0 0 37 19,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.737 31.8-155.5 -83.2 110.0 3.1 20.5 55.2 793 544 B A H > S+ 0 0 76 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.883 91.5 54.6 -51.6 -44.7 1.1 17.5 54.1 794 545 B H H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.971 110.1 44.6 -55.9 -57.7 -1.7 19.7 52.7 795 546 B F H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 111.1 55.5 -55.9 -39.5 0.7 21.6 50.5 796 547 B L H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.943 106.7 49.8 -58.6 -48.5 2.4 18.4 49.4 797 548 B S H X S+ 0 0 56 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.899 110.9 50.4 -57.1 -43.2 -0.9 16.9 48.3 798 549 B Q H X S+ 0 0 70 -4,-2.1 4,-1.8 1,-0.2 3,-0.5 0.940 112.4 44.6 -62.1 -49.2 -1.7 20.1 46.3 799 550 B T H <>S+ 0 0 4 -4,-2.5 5,-0.8 1,-0.2 4,-0.4 0.823 109.5 56.8 -67.2 -31.3 1.7 20.2 44.5 800 551 B K H <5S+ 0 0 54 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.800 107.7 48.9 -70.1 -26.6 1.6 16.5 43.8 801 552 B Q H <5S+ 0 0 160 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.885 101.7 60.7 -78.7 -39.2 -1.8 16.9 42.0 802 553 B A T <5S- 0 0 37 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.615 100.1-138.8 -62.3 -12.7 -0.6 19.8 39.8 803 554 B G T 5 + 0 0 62 -4,-0.4 -3,-0.1 -3,-0.3 -1,-0.1 0.679 43.5 160.0 61.5 19.7 1.9 17.4 38.4 804 555 B D < - 0 0 54 -5,-0.8 -1,-0.1 26,-0.1 26,-0.0 0.028 51.2 -97.5 -63.3 179.2 4.7 20.0 38.5 805 556 B N S S+ 0 0 82 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.961 109.4 22.3 -69.1 -56.7 8.4 19.2 38.4 806 557 B F > + 0 0 10 1,-0.2 4,-2.8 2,-0.1 5,-0.3 -0.660 66.2 166.7-116.1 77.3 9.6 19.3 42.0 807 558 B P H > S+ 0 0 8 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.870 77.5 48.3 -56.6 -41.0 6.5 18.8 44.1 808 559 B Y H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.954 114.3 44.3 -67.7 -48.4 8.4 18.2 47.3 809 560 B L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 116.1 47.2 -62.5 -44.6 10.7 21.2 47.0 810 561 B V H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.956 113.7 47.3 -61.6 -49.4 7.9 23.5 45.9 811 562 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -19,-0.4 0.805 112.8 50.9 -61.4 -30.8 5.7 22.3 48.8 812 563 B Y H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 108.5 49.1 -73.6 -47.4 8.6 22.6 51.2 813 564 B Q H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.888 113.5 49.1 -59.0 -36.7 9.4 26.2 50.2 814 565 B A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.911 106.6 55.5 -68.9 -40.9 5.7 26.9 50.6 815 566 B T H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.914 108.8 47.7 -54.8 -46.1 5.7 25.3 54.0 816 567 B V H X S+ 0 0 7 -4,-2.3 4,-1.4 2,-0.2 6,-0.3 0.896 111.3 50.9 -63.0 -43.5 8.5 27.6 55.2 817 568 B C H ><>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 3,-1.3 0.987 111.8 45.6 -57.9 -60.7 6.7 30.6 53.8 818 569 B A H ><5S+ 0 0 22 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.924 109.2 55.4 -49.6 -50.8 3.4 29.8 55.6 819 570 B R H 3<5S+ 0 0 139 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.835 117.7 37.3 -53.5 -29.8 5.2 29.1 58.8 820 571 B A T <<5S- 0 0 47 -4,-1.4 -1,-0.3 -3,-1.3 -2,-0.2 0.222 108.0-123.8-106.6 13.5 6.7 32.6 58.4 821 572 B Q T < 5 + 0 0 134 -3,-2.5 21,-1.9 -4,-0.3 -3,-0.2 0.710 69.0 137.2 52.5 19.7 3.5 34.2 57.1 822 573 B A < - 0 0 4 -5,-2.1 -1,-0.2 -6,-0.3 21,-0.1 -0.568 54.5-112.4 -95.0 159.6 5.8 35.2 54.2 823 574 B P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 19,-0.1 -0.393 36.1 -93.5 -86.4 167.5 4.9 35.1 50.4 824 575 B P - 0 0 1 0, 0.0 32,-0.2 0, 0.0 3,-0.1 -0.165 43.9 -93.1 -73.7 171.1 6.4 32.8 47.8 825 576 B P S S- 0 0 5 0, 0.0 30,-2.0 0, 0.0 31,-1.2 0.851 105.7 -17.8 -53.0 -36.9 9.3 33.7 45.5 826 577 B S - 0 0 9 28,-0.2 28,-0.0 29,-0.2 5,-0.0 -0.940 68.5-106.8-159.0 171.2 6.7 34.9 43.0 827 578 B W + 0 0 91 -2,-0.3 27,-0.1 -3,-0.1 8,-0.0 -0.146 66.7 137.7-101.8 39.3 3.0 34.4 42.3 828 579 B D S > S- 0 0 80 25,-0.2 3,-0.6 1,-0.1 -2,-0.1 0.004 73.8 -93.4 -67.3-174.8 3.5 32.1 39.3 829 580 B Q G > S+ 0 0 137 1,-0.2 3,-1.1 2,-0.2 4,-0.1 0.673 119.5 70.3 -78.9 -17.2 1.3 29.1 39.0 830 581 B M G 3 S+ 0 0 41 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.727 101.2 45.5 -72.7 -20.5 3.8 26.8 40.7 831 582 B W G X S+ 0 0 6 -3,-0.6 3,-3.1 1,-0.2 -1,-0.3 0.300 75.4 121.4-102.2 8.8 3.1 28.6 44.0 832 583 B K G X + 0 0 105 -3,-1.1 3,-1.7 1,-0.3 4,-0.4 0.722 60.1 74.3 -42.2 -29.3 -0.7 28.4 43.4 833 584 B C G 3 S+ 0 0 6 -3,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.568 94.3 52.6 -64.9 -8.4 -0.9 26.4 46.7 834 585 B L G <> S+ 0 0 0 -3,-3.1 4,-0.8 1,-0.1 3,-0.3 0.344 75.9 96.7-110.2 4.9 -0.3 29.6 48.6 835 586 B I T X4 S+ 0 0 105 -3,-1.7 3,-0.9 1,-0.2 -2,-0.1 0.898 78.8 61.9 -60.7 -40.3 -3.0 31.9 47.0 836 587 B R T 34 S+ 0 0 229 -4,-0.4 -1,-0.2 1,-0.3 4,-0.2 0.890 111.6 36.9 -51.7 -44.8 -5.4 31.1 49.9 837 588 B L T >> S+ 0 0 64 -3,-0.3 4,-1.8 1,-0.2 3,-1.5 0.537 87.4 106.9 -87.4 -5.6 -2.9 32.7 52.3 838 589 B K T << S+ 0 0 103 -3,-0.9 3,-0.3 -4,-0.8 -1,-0.2 0.817 72.9 57.9 -40.0 -48.5 -2.0 35.4 49.9 839 590 B P T 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.862 115.8 34.5 -53.5 -41.3 -3.9 38.1 51.8 840 591 B T T <4 S+ 0 0 95 -3,-1.5 2,-0.7 -4,-0.2 -2,-0.2 0.616 94.9 100.2 -91.6 -15.3 -2.0 37.5 55.0 841 592 B L < + 0 0 6 -4,-1.8 2,-0.3 -3,-0.3 -19,-0.3 -0.644 48.6 144.3 -79.1 116.1 1.4 36.7 53.4 842 593 B H + 0 0 136 -21,-1.9 -2,-0.0 -2,-0.7 -4,-0.0 -0.903 26.5 45.8-142.8 169.4 3.7 39.7 53.5 843 594 B G S S- 0 0 30 -2,-0.3 14,-0.2 -21,-0.1 13,-0.0 -0.201 92.8 -26.0 88.1 178.0 7.4 40.6 53.9 844 595 B P - 0 0 61 0, 0.0 14,-0.3 0, 0.0 -2,-0.1 -0.130 66.5-111.9 -61.7 160.6 10.5 39.1 52.4 845 596 B T E -l 858 0P 0 12,-3.6 14,-2.9 -23,-0.1 2,-1.9 -0.837 16.4-129.1 -99.9 130.8 10.6 35.5 51.2 846 597 B P E -l 859 0P 9 0, 0.0 2,-0.5 0, 0.0 14,-0.2 -0.622 34.3-153.4 -77.2 86.1 12.7 32.9 53.1 847 598 B L + 0 0 1 -2,-1.9 15,-0.1 12,-1.4 3,-0.1 -0.527 26.3 173.5 -69.7 117.6 14.4 31.7 49.8 848 599 B L S S- 0 0 0 -2,-0.5 2,-0.3 1,-0.5 -155,-0.2 0.826 70.5 -29.0 -89.2 -37.4 15.5 28.0 50.2 849 600 B Y S S- 0 0 2 -157,-0.1 2,-0.7 -158,-0.1 -1,-0.5 -0.935 70.9 -92.4-168.4 169.7 16.5 27.7 46.6 850 601 B R B +i 694 0M 56 -157,-2.7 -155,-3.0 -2,-0.3 2,-0.3 -0.876 32.2 175.0-106.1 109.8 15.5 29.1 43.2 851 602 B L S S- 0 0 16 -2,-0.7 2,-0.4 -157,-0.2 -155,-0.1 -0.421 72.4 -48.4-105.1 52.8 12.9 27.1 41.3 852 603 B G S S- 0 0 34 -2,-0.3 2,-0.3 -157,-0.2 -157,-0.0 -0.973 106.5 -5.2 123.5-133.2 12.6 29.5 38.4 853 604 B A - 0 0 72 -2,-0.4 2,-0.4 -3,-0.0 -25,-0.2 -0.784 53.8-163.0-107.3 149.6 12.1 33.2 38.7 854 605 B V + 0 0 28 -2,-0.3 -28,-0.2 1,-0.1 4,-0.1 -0.995 17.4 168.4-132.8 131.7 11.6 35.3 41.9 855 606 B Q + 0 0 154 -30,-2.0 -29,-0.2 -2,-0.4 -1,-0.1 0.833 53.9 85.4-102.1 -57.7 10.2 38.9 42.2 856 607 B N S S- 0 0 37 -31,-1.2 2,-0.2 -32,-0.2 -2,-0.0 0.258 93.9 -77.6 -42.2 167.3 9.6 39.4 45.9 857 608 B E - 0 0 109 -14,-0.2 -12,-3.6 1,-0.0 2,-0.4 -0.502 52.4-140.8 -71.1 139.9 12.1 40.5 48.4 858 609 B V E -l 845 0P 59 -14,-0.3 2,-0.4 -2,-0.2 -1,-0.0 -0.856 18.8-173.8-112.3 141.2 14.5 37.7 49.4 859 610 B T E -l 846 0P 38 -14,-2.9 -12,-1.4 -2,-0.4 3,-0.2 -0.975 10.4-170.6-127.8 143.3 15.9 36.7 52.7 860 611 B T + 0 0 52 -2,-0.4 -1,-0.0 -14,-0.2 -2,-0.0 -0.023 61.1 98.3-122.7 31.7 18.5 34.0 53.4 861 612 B T + 0 0 110 4,-0.1 -1,-0.1 5,-0.0 3,-0.0 0.368 51.7 117.2 -99.6 4.2 18.5 33.9 57.2 862 613 B H S >> S- 0 0 44 -3,-0.2 4,-2.3 -15,-0.1 3,-0.6 -0.502 71.1-125.3 -76.2 139.0 16.2 30.9 57.5 863 614 B P H 3> S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.904 111.1 51.5 -48.3 -51.1 17.6 27.7 59.1 864 615 B I H 3> S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 110.1 51.0 -57.7 -34.8 16.7 25.5 56.2 865 616 B T H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.872 110.7 48.1 -68.1 -39.8 18.5 28.0 53.9 866 617 B K H X S+ 0 0 97 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.884 110.0 54.1 -67.9 -36.4 21.5 27.9 56.1 867 618 B Y H X S+ 0 0 84 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.945 109.8 45.0 -61.7 -51.6 21.4 24.1 56.1 868 619 B I H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.898 110.9 54.1 -62.9 -39.1 21.3 23.8 52.4 869 620 B M H X S+ 0 0 60 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.904 109.2 49.2 -60.9 -39.5 24.2 26.4 52.1 870 621 B A H >< S+ 0 0 61 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.883 105.1 57.3 -67.1 -38.4 26.2 24.2 54.5 871 622 B C H 3< S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 105.8 51.8 -61.0 -31.5 25.4 21.1 52.3 872 623 B M H 3< 0 0 40 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.650 360.0 360.0 -79.6 -14.3 27.0 22.9 49.4 873 624 B S << 0 0 157 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.1 0.954 360.0 360.0 -82.5 360.0 30.1 23.7 51.4