==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-NOV-11 3UO6 . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 30 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 0 6 0 2 2 4 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 1 126 A R 0 0 291 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.8 15.5 7.1 6.2 2 127 A Q - 0 0 162 71,-0.0 73,-0.1 73,-0.0 2,-0.0 -0.964 360.0-144.0-134.2 122.3 14.6 9.4 9.0 3 128 A W - 0 0 103 -2,-0.4 2,-0.3 71,-0.2 73,-0.2 -0.266 12.8-167.2 -76.1 164.3 15.8 13.0 8.9 4 129 A A > - 0 0 32 71,-0.1 3,-2.4 1,-0.0 4,-0.2 -0.961 39.9 -93.6-145.5 165.9 16.9 15.2 11.7 5 130 A L G > S+ 0 0 56 -2,-0.3 3,-1.8 1,-0.3 -1,-0.0 0.815 117.1 60.6 -49.7 -39.0 17.6 18.9 12.0 6 131 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 21,-0.0 -3,-0.0 0.478 84.8 76.7 -78.2 1.8 21.4 18.7 11.3 7 132 A D G < S+ 0 0 52 -3,-2.4 21,-2.8 20,-0.1 2,-0.4 0.480 96.7 66.8 -80.2 1.0 20.8 17.2 7.9 8 133 A F E < -A 27 0A 13 -3,-1.8 2,-0.4 19,-0.2 19,-0.2 -0.938 69.5-143.3-130.1 142.2 19.9 20.8 7.0 9 134 A E E -A 26 0A 104 17,-2.7 17,-1.6 -2,-0.4 2,-0.5 -0.799 30.0-140.4 -92.5 143.1 21.5 24.2 6.6 10 135 A I E +A 25 0A 82 -2,-0.4 15,-0.3 15,-0.2 2,-0.1 -0.908 22.0 176.5-114.9 130.4 19.1 27.0 7.7 11 136 A G E - 0 0 35 13,-4.4 3,-0.1 -2,-0.5 15,-0.0 -0.110 48.2 -36.4-104.5-154.4 18.7 30.4 6.1 12 137 A R E - 0 0 148 11,-0.1 12,-3.1 1,-0.1 2,-0.5 -0.147 66.5 -96.9 -61.9 157.6 16.3 33.3 6.8 13 138 A P E -A 23 0A 51 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.726 28.2-161.6 -70.1 127.8 12.8 32.8 8.1 14 139 A L E S- 0 0 41 8,-3.3 2,-0.3 -2,-0.5 9,-0.2 0.922 74.2 -13.7 -77.1 -45.8 10.5 33.1 5.1 15 140 A G E -A 22 0A 5 7,-1.0 7,-2.1 141,-0.2 2,-0.5 -0.966 63.6-131.8-148.1 164.2 7.5 33.8 7.4 16 141 A K E -AB 21 155A 122 139,-3.0 139,-1.3 -2,-0.3 5,-0.2 -0.981 23.6-176.8-122.6 124.9 6.6 33.5 11.1 17 142 A G - 0 0 18 3,-3.4 137,-0.2 -2,-0.5 136,-0.2 -0.387 40.7-103.3-104.2-174.8 3.5 31.9 12.4 18 143 A K S S+ 0 0 143 135,-0.5 135,-0.1 134,-0.2 3,-0.1 0.777 122.8 40.8 -81.3 -29.5 2.0 31.5 15.8 19 144 A F S S- 0 0 6 133,-0.4 21,-3.5 1,-0.3 22,-0.3 0.433 131.3 -65.8 -94.2 -2.3 3.0 27.9 16.1 20 145 A G E - C 0 39A 8 19,-0.3 -3,-3.4 132,-0.1 2,-0.3 -0.950 57.9 -62.0 148.4-166.4 6.4 28.5 14.5 21 146 A N E -AC 16 38A 15 17,-0.7 17,-3.4 -2,-0.3 2,-0.7 -0.817 21.1-133.9-123.7 153.3 8.4 29.5 11.5 22 147 A V E -AC 15 37A 14 -7,-2.1 -8,-3.3 -2,-0.3 -7,-1.0 -0.933 32.7-164.5-102.2 113.8 9.1 28.5 7.9 23 148 A Y E -AC 13 36A 64 13,-2.9 13,-3.1 -2,-0.7 2,-0.3 -0.763 23.2-118.0-100.7 145.0 12.9 28.7 7.4 24 149 A L E + C 0 35A 37 -12,-3.1 -13,-4.4 -2,-0.3 2,-0.3 -0.616 52.9 160.4 -72.7 138.6 14.7 28.7 4.1 25 150 A A E -AC 10 34A 3 9,-2.2 9,-3.1 -2,-0.3 2,-0.3 -0.936 32.4-148.7-156.6 165.6 16.9 25.6 4.1 26 151 A R E -AC 9 33A 87 -17,-1.6 -17,-2.7 7,-0.3 7,-0.3 -0.979 32.3-106.1-148.7 142.6 18.9 23.1 2.1 27 152 A E E > -A 8 0A 35 5,-2.3 4,-1.2 -2,-0.3 5,-0.3 -0.441 38.7-124.8 -63.4 141.0 19.8 19.4 2.6 28 153 A K T 4 S+ 0 0 113 -21,-2.8 -1,-0.1 2,-0.2 -20,-0.1 0.848 97.7 29.7 -63.0 -46.2 23.4 19.3 3.6 29 154 A Q T 4 S+ 0 0 161 -22,-0.2 -1,-0.1 1,-0.1 -21,-0.0 0.979 123.3 42.9 -79.7 -64.1 24.9 17.0 1.0 30 155 A S T 4 S- 0 0 71 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.679 93.9-141.2 -57.3 -19.4 22.8 17.6 -2.1 31 156 A K < + 0 0 147 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.781 46.8 158.2 60.1 24.8 22.9 21.3 -1.3 32 157 A F - 0 0 114 -5,-0.3 -5,-2.3 1,-0.1 2,-0.2 -0.668 38.4-126.1 -87.2 135.5 19.3 21.2 -2.5 33 158 A I E +C 26 0A 55 -2,-0.4 54,-0.4 -7,-0.3 -7,-0.3 -0.554 39.9 147.2 -86.8 141.2 17.0 24.0 -1.3 34 159 A L E -C 25 0A 10 -9,-3.1 -9,-2.2 -2,-0.2 2,-0.5 -0.868 44.3 -98.0-151.0-176.7 13.7 23.4 0.5 35 160 A A E -CD 24 85A 6 50,-2.8 50,-3.2 -2,-0.3 2,-0.7 -0.968 24.9-153.1-117.3 129.6 11.5 25.0 3.2 36 161 A L E -CD 23 84A 0 -13,-3.1 -13,-2.9 -2,-0.5 2,-0.6 -0.869 4.5-157.7-103.1 109.0 11.5 23.8 6.8 37 162 A K E -CD 22 83A 18 46,-2.7 46,-2.4 -2,-0.7 2,-0.6 -0.737 12.4-162.1 -82.1 123.8 8.3 24.4 8.7 38 163 A V E -CD 21 82A 6 -17,-3.4 -17,-0.7 -2,-0.6 2,-0.5 -0.943 5.7-168.5-114.2 118.7 9.1 24.5 12.4 39 164 A L E -CD 20 81A 5 42,-2.8 42,-2.3 -2,-0.6 -19,-0.3 -0.932 17.9-145.6-113.1 124.9 6.2 23.9 14.9 40 165 A F - 0 0 90 -21,-3.5 2,-0.3 -2,-0.5 -20,-0.1 0.710 16.3-157.8 -63.7 -30.6 6.8 24.6 18.6 41 166 A K S > S+ 0 0 42 -22,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.204 82.3 76.6 74.8 -19.1 4.5 21.8 19.8 42 167 A A H > S+ 0 0 46 37,-0.3 4,-1.6 -2,-0.3 -1,-0.2 0.854 100.5 40.8 -81.6 -42.4 4.1 23.6 23.1 43 168 A Q H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 6,-0.2 0.610 112.4 59.2 -74.6 -15.9 1.8 26.0 21.5 44 169 A L H >>S+ 0 0 3 2,-0.2 5,-1.3 3,-0.1 4,-0.7 0.909 102.1 52.3 -75.6 -43.9 0.4 22.9 19.7 45 170 A E H ><5S+ 0 0 94 -4,-1.4 3,-1.9 2,-0.2 -2,-0.2 0.977 112.9 42.5 -52.6 -64.4 -0.5 21.3 23.0 46 171 A K H 3<5S+ 0 0 122 -4,-1.6 402,-0.9 1,-0.3 -1,-0.2 0.948 111.2 54.0 -45.1 -62.5 -2.5 24.3 24.3 47 172 A A H 3<5S- 0 0 17 -4,-1.5 -1,-0.3 400,-0.2 -2,-0.2 0.578 110.3-128.3 -57.9 -9.7 -4.2 24.9 20.9 48 173 A G T <<5 + 0 0 15 -3,-1.9 2,-0.6 -4,-0.7 345,-0.3 0.600 67.5 124.0 76.5 13.0 -5.2 21.3 21.2 49 174 A V < + 0 0 25 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.936 21.2 105.2-107.5 110.5 -4.0 20.2 17.8 50 175 A E S > S+ 0 0 29 -2,-0.6 4,-2.4 341,-0.2 3,-0.3 0.232 76.7 51.4-132.9 -61.5 -1.5 17.3 17.7 51 176 A H H >> S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.907 112.0 44.4 -43.3 -65.0 -3.4 14.3 16.5 52 177 A Q H 3> S+ 0 0 40 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.828 111.8 54.6 -61.9 -27.1 -5.0 15.8 13.4 53 178 A L H >> S+ 0 0 4 -3,-0.3 4,-1.8 1,-0.2 3,-0.9 0.931 105.8 55.6 -61.5 -41.1 -1.6 17.4 12.5 54 179 A R H << S+ 0 0 79 -4,-2.4 -2,-0.2 -3,-0.6 -1,-0.2 0.698 111.6 39.2 -72.7 -23.1 -0.2 13.9 12.8 55 180 A R H 3X S+ 0 0 85 -4,-1.2 4,-2.4 -3,-0.2 -1,-0.3 0.390 106.8 70.2 -96.9 -3.0 -2.6 12.4 10.2 56 181 A E H < S+ 0 0 16 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.922 121.3 47.3 -70.6 -46.5 -2.8 12.8 4.1 60 185 A Q H >< S+ 0 0 9 -4,-4.2 3,-1.1 1,-0.3 11,-0.5 0.771 103.3 62.4 -70.8 -26.3 -0.6 15.6 2.6 61 186 A S T 3< S+ 0 0 44 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.720 101.5 55.3 -68.1 -18.9 2.4 13.3 2.1 62 187 A H T < S+ 0 0 126 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.551 90.8 100.1 -88.2 -10.0 0.2 11.4 -0.3 63 188 A L < + 0 0 7 -3,-1.1 2,-0.4 -4,-0.3 8,-0.3 -0.594 43.8 177.4 -92.9 136.4 -0.7 14.4 -2.4 64 189 A R + 0 0 150 -2,-0.3 5,-0.1 6,-0.1 3,-0.1 -0.916 16.9 135.0-140.6 115.5 0.9 15.3 -5.7 65 190 A H - 0 0 37 3,-0.4 3,-0.4 -2,-0.4 5,-0.1 -0.988 53.0-128.2-150.8 147.0 0.0 18.2 -7.9 66 191 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.875 115.7 42.8 -53.0 -41.8 1.9 20.9 -9.9 67 192 A N S S+ 0 0 5 47,-0.1 80,-2.7 79,-0.1 2,-0.5 0.488 101.4 80.7 -94.2 -1.0 -0.3 23.5 -8.2 68 193 A I B S-f 147 0B 8 -3,-0.4 -3,-0.4 78,-0.3 2,-0.4 -0.888 87.2-116.8-103.7 133.4 -0.1 22.0 -4.7 69 194 A L - 0 0 12 78,-2.7 2,-0.2 -2,-0.5 -2,-0.1 -0.562 38.3-126.2 -70.3 123.7 3.0 22.7 -2.5 70 195 A R - 0 0 93 -2,-0.4 16,-2.7 -4,-0.1 2,-0.8 -0.506 8.2-142.6 -84.4 135.3 4.6 19.3 -1.9 71 196 A L E -E 85 0A 3 -11,-0.5 14,-0.2 -8,-0.3 3,-0.1 -0.841 15.9-174.1 -93.9 109.9 5.4 17.9 1.5 72 197 A Y E - 0 0 91 12,-2.1 2,-0.3 -2,-0.8 -1,-0.2 0.948 56.0 -48.5 -70.5 -51.8 8.7 16.0 1.1 73 198 A G E -E 84 0A 15 11,-1.0 11,-3.2 2,-0.0 2,-0.3 -0.930 48.0-132.9-165.6-173.6 8.9 14.5 4.6 74 199 A Y E +E 83 0A 100 -2,-0.3 2,-0.3 9,-0.2 -71,-0.2 -0.992 19.8 162.3-154.9 153.3 8.6 15.1 8.4 75 200 A F E -E 82 0A 11 7,-1.6 7,-2.8 -2,-0.3 2,-0.3 -0.951 18.4-144.5-156.6 175.5 10.4 14.4 11.6 76 201 A H E -E 81 0A 101 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.970 7.6-166.9-144.9 159.8 10.6 15.5 15.2 77 202 A D - 0 0 75 3,-1.4 -1,-0.1 -2,-0.3 4,-0.1 0.760 63.8 -72.7-108.4 -78.1 13.3 15.9 17.8 78 203 A A S S+ 0 0 67 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.146 122.6 26.3-136.2 -66.6 11.7 16.5 21.2 79 204 A T S S+ 0 0 87 -3,-0.1 2,-0.3 2,-0.0 -37,-0.3 0.393 116.5 53.0 -88.2 -0.0 10.2 19.9 21.4 80 205 A R - 0 0 67 -39,-0.1 -3,-1.4 -38,-0.1 2,-0.4 -0.989 60.2-146.3-141.5 146.3 9.6 20.6 17.7 81 206 A V E -DE 39 76A 5 -42,-2.3 -42,-2.8 -2,-0.3 2,-0.5 -0.910 21.0-154.2-108.0 140.8 7.9 19.1 14.7 82 207 A Y E -DE 38 75A 0 -7,-2.8 -7,-1.6 -2,-0.4 2,-0.6 -0.962 9.4-163.2-123.6 126.3 9.4 19.7 11.2 83 208 A L E -DE 37 74A 0 -46,-2.4 -46,-2.7 -2,-0.5 2,-0.7 -0.921 14.8-146.6-102.6 124.1 7.7 19.7 7.9 84 209 A I E -DE 36 73A 5 -11,-3.2 -12,-2.1 -2,-0.6 -11,-1.0 -0.834 31.4-173.5 -90.9 114.9 10.0 19.3 4.9 85 210 A L E -DE 35 71A 8 -50,-3.2 -50,-2.8 -2,-0.7 -14,-0.2 -0.805 31.9-104.8-120.7 150.1 8.5 21.3 2.2 86 211 A E - 0 0 33 -16,-2.7 2,-0.4 -2,-0.3 -52,-0.1 -0.448 46.2-121.8 -60.9 136.7 8.9 22.1 -1.5 87 212 A Y - 0 0 72 -54,-0.4 -1,-0.1 -2,-0.1 -17,-0.1 -0.716 18.2-159.0 -87.6 133.6 10.4 25.6 -1.8 88 213 A A > - 0 0 9 -2,-0.4 3,-1.3 1,-0.1 51,-0.3 -0.902 5.0-163.8-113.0 105.2 8.5 28.3 -3.7 89 214 A P T 3 S+ 0 0 66 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.762 80.2 54.2 -57.3 -39.0 11.0 31.0 -4.7 90 215 A L T 3 S- 0 0 101 49,-2.0 50,-0.1 50,-0.3 6,-0.1 0.455 94.0-147.6 -88.0 -1.6 8.6 33.8 -5.6 91 216 A G < - 0 0 26 -3,-1.3 48,-2.4 48,-0.4 2,-0.3 -0.345 43.7 -2.2 79.5-150.8 6.7 34.0 -2.4 92 217 A T B >> -G 138 0B 33 46,-0.2 4,-1.8 1,-0.1 3,-1.8 -0.628 45.7-138.8 -93.4 136.8 3.0 34.8 -1.7 93 218 A V H 3> S+ 0 0 0 44,-2.1 4,-2.5 41,-0.6 42,-0.2 0.705 105.9 68.1 -61.2 -15.9 0.5 35.9 -4.3 94 219 A Y H 3> S+ 0 0 31 40,-0.8 4,-0.9 43,-0.5 -1,-0.3 0.780 99.8 45.1 -74.9 -31.2 -0.5 38.3 -1.5 95 220 A R H X> S+ 0 0 131 -3,-1.8 4,-1.9 2,-0.2 3,-0.5 0.942 114.2 48.9 -72.0 -51.0 2.7 40.2 -1.8 96 221 A E H 3X S+ 0 0 28 -4,-1.8 4,-1.8 1,-0.3 5,-0.3 0.895 110.7 51.1 -53.7 -43.5 2.4 40.2 -5.6 97 222 A L H 3X S+ 0 0 9 -4,-2.5 4,-1.2 1,-0.2 -1,-0.3 0.830 108.1 52.7 -63.2 -31.7 -1.2 41.4 -5.2 98 223 A Q H << S+ 0 0 86 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.799 106.9 55.3 -74.7 -29.6 0.1 44.2 -3.0 99 224 A K H < S+ 0 0 136 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.993 120.5 24.2 -59.8 -67.3 2.6 45.2 -5.7 100 225 A L H < S- 0 0 73 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.630 94.5-136.8 -79.5 -15.7 0.3 45.8 -8.6 101 226 A S S < S+ 0 0 75 -4,-1.2 2,-0.3 -5,-0.3 -1,-0.1 -0.049 81.8 21.2 75.1 -23.1 -2.7 46.5 -6.4 102 227 A K S S- 0 0 97 -6,-0.1 96,-0.2 98,-0.1 2,-0.2 -0.974 74.0-130.4-160.7 161.9 -4.7 44.3 -8.8 103 228 A F - 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0 0 1 0, 0.0 4,-2.6 0, 0.0 3,-1.0 -0.454 22.5-111.1 -76.4 148.2 -17.6 31.5 20.6 438 298 B P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 44,-0.1 0.826 118.1 54.1 -48.0 -42.3 -16.5 34.9 19.0 439 299 B E H 34>S+ 0 0 7 67,-0.2 5,-1.8 2,-0.2 4,-0.1 0.870 111.9 43.7 -61.4 -39.7 -13.1 33.5 18.1 440 300 B M H X45S+ 0 0 44 -3,-1.0 3,-1.6 3,-0.2 -1,-0.2 0.937 114.9 47.2 -72.2 -48.6 -14.7 30.5 16.3 441 301 B I H 3<5S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.908 109.1 56.6 -55.0 -41.0 -17.3 32.4 14.5 442 302 B E T 3<5S- 0 0 4 -4,-2.3 -1,-0.3 -5,-0.3 -274,-0.2 0.417 117.7-112.2 -80.0 1.7 -14.7 35.0 13.4 443 303 B G T < 5 + 0 0 31 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.974 67.4 141.7 69.8 54.8 -12.6 32.3 11.8 444 304 B R < - 0 0 67 -5,-1.8 -1,-0.2 -4,-0.1 -2,-0.1 -0.963 62.7 -81.2-135.3 152.1 -9.7 32.3 14.1 445 305 B M - 0 0 94 -2,-0.3 2,-0.3 1,-0.1 -5,-0.0 -0.187 53.3-154.6 -53.2 122.6 -7.4 29.8 15.7 446 306 B H - 0 0 63 -399,-0.1 2,-0.2 -6,-0.1 -1,-0.1 -0.806 12.2-170.5-110.6 144.8 -9.3 28.3 18.6 447 307 B D > - 0 0 49 -2,-0.3 3,-2.5 -399,-0.1 4,-0.3 -0.633 48.0 -71.9-123.8-178.4 -7.9 26.7 21.8 448 308 B E T > S+ 0 0 44 -402,-0.9 3,-1.5 1,-0.3 4,-0.3 0.775 118.0 74.8 -46.3 -32.6 -9.2 24.8 24.8 449 309 B K T >> S+ 0 0 29 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.579 74.7 78.3 -66.2 -9.6 -10.8 28.0 26.2 450 310 B V H X> S+ 0 0 0 -3,-2.5 4,-1.8 1,-0.2 3,-1.7 0.936 86.8 60.8 -56.7 -45.3 -13.7 27.8 23.6 451 311 B D H <> S+ 0 0 2 -3,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.677 98.1 57.0 -62.2 -20.6 -15.3 25.2 25.7 452 312 B L H <> S+ 0 0 1 -3,-0.7 4,-1.4 -4,-0.3 -1,-0.3 0.754 102.5 54.5 -80.4 -25.1 -15.6 27.5 28.6 453 313 B W H X S+ 0 0 6 -4,-1.8 4,-2.9 1,-0.3 3,-0.9 0.964 107.5 53.8 -51.5 -57.3 -19.9 27.1 25.7 455 315 B L H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -1,-0.3 0.828 107.1 52.0 -45.7 -40.2 -20.2 26.4 29.4 456 316 B G H 3X S+ 0 0 0 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.3 0.893 111.1 47.0 -68.2 -37.9 -21.2 30.0 30.0 457 317 B V H - 0 0 11 0, 0.0 3,-0.9 0, 0.0 -9,-0.1 -0.424 33.3-117.3 -71.4 155.6 -29.5 31.2 25.2 468 328 B P T 3 S+ 0 0 17 0, 0.0 19,-0.3 0, 0.0 -34,-0.0 0.766 110.3 43.0 -67.7 -30.2 -28.1 34.8 25.9 469 329 B F T 3 S+ 0 0 0 -35,-0.2 11,-0.2 17,-0.1 12,-0.2 0.387 78.4 140.8 -98.6 2.9 -27.5 35.7 22.2 470 330 B E < + 0 0 103 -3,-0.9 2,-0.3 10,-0.1 -39,-0.1 -0.136 22.1 156.1 -50.2 137.6 -30.7 34.3 20.7 471 331 B A - 0 0 30 1,-0.0 6,-0.1 9,-0.0 -37,-0.1 -0.971 53.9-110.4-160.1 161.9 -32.1 36.6 18.0 472 332 B N S S+ 0 0 164 -2,-0.3 2,-0.4 4,-0.0 3,-0.1 0.619 100.6 53.5 -76.8 -11.1 -34.4 36.3 14.9 473 333 B T S > S- 0 0 55 1,-0.1 4,-2.5 -43,-0.0 5,-0.2 -0.961 74.0-137.2-125.7 144.2 -31.5 36.9 12.5 474 334 B Y H > S+ 0 0 49 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.876 108.5 54.4 -57.8 -39.3 -28.1 35.2 12.1 475 335 B Q H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 108.5 45.9 -62.8 -50.6 -26.5 38.6 11.7 476 336 B E H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 109.8 54.5 -63.8 -42.1 -27.9 40.0 14.9 477 337 B T H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.956 109.9 47.8 -53.2 -51.2 -27.0 36.8 16.8 478 338 B Y H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 5,-0.4 0.900 107.6 57.0 -53.9 -45.5 -23.4 37.4 15.5 479 339 B K H X S+ 0 0 49 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.940 111.0 42.3 -49.6 -51.1 -23.7 41.0 16.6 480 340 B R H <>S+ 0 0 72 -4,-2.4 5,-2.6 -11,-0.2 4,-0.3 0.898 115.4 48.1 -69.9 -43.5 -24.5 40.0 20.2 481 341 B I H ><5S+ 0 0 0 -4,-2.5 3,-2.3 3,-0.2 -2,-0.2 0.992 113.6 44.5 -57.7 -65.8 -21.9 37.2 20.5 482 342 B S H 3<5S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.805 121.5 40.4 -50.3 -38.4 -18.9 39.1 19.1 483 343 B R T 3<5S- 0 0 113 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.347 107.3-129.6 -95.9 3.2 -19.8 42.2 21.1 484 344 B V T < 5 + 0 0 37 -3,-2.3 2,-0.7 -4,-0.3 -3,-0.2 0.895 46.5 163.2 50.9 52.3 -20.7 40.0 24.2 485 345 B E < + 0 0 62 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.873 7.9 138.8-106.3 108.4 -24.0 41.7 24.7 486 346 B F - 0 0 35 -2,-0.7 2,-0.4 -5,-0.0 -17,-0.1 -0.981 31.3-156.2-151.7 140.5 -26.3 39.7 26.9 487 347 B T - 0 0 120 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.957 14.1-132.2-126.5 133.9 -28.7 40.7 29.8 488 348 B F - 0 0 47 -2,-0.4 2,-0.1 1,-0.1 -28,-0.0 -0.506 21.1-119.9 -80.1 142.8 -30.0 38.6 32.6 489 349 B P > - 0 0 39 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.357 42.6 -96.8 -66.2 164.2 -33.7 38.4 33.6 490 350 B D T 3 S+ 0 0 139 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.864 114.6 64.0 -53.5 -45.1 -34.3 39.5 37.2 491 351 B F T 3 S+ 0 0 96 -28,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.600 71.8 114.0 -65.1 -13.0 -34.3 36.2 39.0 492 352 B V < - 0 0 6 -3,-1.2 -4,-0.1 1,-0.1 -28,-0.0 -0.396 68.9-124.9 -68.4 123.4 -30.7 35.3 38.2 493 353 B T > - 0 0 54 -2,-0.3 4,-2.9 1,-0.1 5,-0.1 -0.319 14.7-121.1 -66.4 152.8 -28.7 35.1 41.3 494 354 B E H > S+ 0 0 145 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.810 113.3 55.9 -62.2 -35.6 -25.7 37.2 41.4 495 355 B G H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 27,-0.2 0.843 109.8 48.3 -70.0 -33.3 -23.4 34.1 41.9 496 356 B A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 3,-0.4 0.973 112.4 48.6 -61.3 -57.7 -24.9 32.7 38.8 497 357 B R H X S+ 0 0 79 -4,-2.9 4,-3.7 1,-0.2 5,-0.3 0.894 109.7 52.0 -48.2 -47.7 -24.3 36.1 37.0 498 358 B D H X S+ 0 0 70 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.876 112.0 45.0 -65.0 -37.7 -20.7 36.2 38.3 499 359 B L H X S+ 0 0 1 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.943 116.6 45.1 -70.0 -48.5 -19.9 32.8 36.9 500 360 B I H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.956 115.0 48.6 -57.0 -52.0 -21.6 33.4 33.6 501 361 B S H < S+ 0 0 42 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.910 113.8 45.5 -57.3 -46.6 -19.9 36.8 33.3 502 362 B R H < S+ 0 0 90 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.851 115.6 49.8 -66.3 -31.8 -16.5 35.4 34.2 503 363 B L H < S+ 0 0 0 -4,-2.4 2,-0.9 1,-0.2 -2,-0.2 0.868 104.8 58.9 -74.6 -38.2 -17.3 32.5 31.7 504 364 B L < + 0 0 4 -4,-3.2 2,-0.4 -5,-0.1 -1,-0.2 -0.767 68.9 140.6-102.6 102.5 -18.4 34.7 28.8 505 365 B K - 0 0 69 -2,-0.9 6,-0.1 1,-0.1 -21,-0.1 -0.982 56.0-129.9-140.1 139.8 -15.6 37.1 27.8 506 366 B H S S+ 0 0 81 -2,-0.4 -67,-0.2 -23,-0.1 -1,-0.1 0.933 97.7 68.5 -57.4 -44.1 -14.4 38.1 24.4 507 367 B N S > S- 0 0 82 1,-0.2 3,-0.7 -3,-0.1 4,-0.2 -0.628 71.9-155.0 -77.6 119.4 -10.8 37.3 25.4 508 368 B P G > S+ 0 0 26 0, 0.0 3,-2.8 0, 0.0 -1,-0.2 0.962 95.2 58.9 -53.4 -49.6 -10.3 33.5 25.8 509 369 B S G 3 S+ 0 0 91 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.715 98.8 60.4 -54.5 -24.4 -7.3 34.2 28.2 510 370 B Q G < S+ 0 0 117 -3,-0.7 -1,-0.3 -5,-0.1 -4,-0.1 0.481 88.1 92.7 -83.0 -5.1 -9.7 36.1 30.5 511 371 B R S < S- 0 0 4 -3,-2.8 -8,-0.2 -4,-0.2 -58,-0.1 -0.705 84.2-100.1 -93.9 148.7 -11.9 33.1 31.0 512 372 B P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.004 29.7-114.0 -58.4 160.2 -11.4 30.7 34.0 513 373 B M > - 0 0 80 1,-0.0 4,-1.2 -61,-0.0 3,-0.5 -0.549 42.8 -97.9 -82.3 171.6 -9.7 27.4 33.8 514 374 B L H > S+ 0 0 12 1,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.802 120.4 51.1 -70.3 -32.9 -12.0 24.5 34.4 515 375 B R H > S+ 0 0 154 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.818 101.0 63.2 -75.5 -29.5 -11.3 23.8 38.1 516 376 B E H > S+ 0 0 93 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.917 103.6 51.2 -53.3 -44.3 -11.9 27.5 38.8 517 377 B V H >< S+ 0 0 0 -4,-1.2 3,-0.9 1,-0.2 6,-0.2 0.950 110.0 46.8 -56.2 -54.5 -15.4 26.7 37.6 518 378 B L H 3< S+ 0 0 44 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 114.0 49.5 -59.6 -32.4 -15.7 23.8 40.0 519 379 B E H 3< S+ 0 0 129 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.666 82.7 126.2 -80.8 -16.5 -14.3 25.9 42.8 520 380 B H S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.901 109.0 45.2 -52.3 -47.4 -18.7 29.8 45.3 522 382 B W H > S+ 0 0 16 -27,-0.2 4,-1.7 2,-0.2 5,-0.1 0.839 112.2 52.2 -73.9 -35.6 -22.1 29.5 43.5 523 383 B I H > S+ 0 0 1 -6,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.998 111.4 45.2 -55.2 -67.6 -21.2 26.1 42.0 524 384 B T H < S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.814 110.4 57.2 -50.9 -40.0 -20.1 24.6 45.3 525 385 B A H < S+ 0 0 76 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.980 121.1 20.9 -52.1 -68.3 -23.2 26.0 47.1 526 386 B N H < S+ 0 0 50 -4,-1.7 2,-0.6 -156,-0.1 -151,-0.3 0.310 94.8 114.9 -92.1 5.0 -26.0 24.4 44.9 527 387 B S < - 0 0 22 -4,-1.5 -156,-0.1 -153,-0.2 -155,-0.1 -0.700 48.3-162.2 -85.9 119.4 -24.1 21.5 43.3 528 388 B S 0 0 99 -2,-0.6 -1,-0.1 -157,-0.5 -153,-0.1 0.549 360.0 360.0 -66.9 -7.0 -25.2 18.0 44.2 529 389 B K 0 0 111 -155,-0.1 -2,-0.1 0, 0.0 -153,-0.0 -0.535 360.0 360.0-127.9 360.0 -21.9 16.8 42.9