==== 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 3UOK . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 530 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 62.1 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 . 74 14.0 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 . 25 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 28.9 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 1 3 0 2 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 . 2 2 2 0 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 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 1 125 A K 0 0 200 0, 0.0 2,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 9.2 16.2 -13.1 -4.9 2 126 A R + 0 0 255 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.029 360.0 61.2 75.0 -27.2 13.9 -10.2 -5.8 3 127 A Q S S- 0 0 121 -2,-0.8 73,-0.1 71,-0.0 2,-0.1 -0.994 80.4-141.1-135.3 128.4 15.7 -8.2 -3.1 4 128 A W - 0 0 97 -2,-0.4 2,-0.3 71,-0.2 73,-0.2 -0.287 13.0-166.0 -88.7 173.7 19.4 -7.4 -3.1 5 129 A A > - 0 0 28 1,-0.1 3,-1.7 71,-0.1 4,-0.1 -0.958 40.3-101.1-150.3 162.7 22.0 -7.2 -0.4 6 130 A L G > S+ 0 0 75 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.934 120.0 62.4 -52.6 -44.2 25.5 -5.9 0.0 7 131 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 -3,-0.1 22,-0.0 0.682 89.7 68.0 -57.6 -19.9 26.8 -9.5 -0.5 8 132 A D G < S+ 0 0 33 -3,-1.7 21,-2.7 20,-0.1 2,-0.4 0.439 99.9 67.9 -77.8 0.8 25.4 -9.5 -4.0 9 133 A F E < -A 28 0A 18 -3,-2.5 2,-0.4 19,-0.3 19,-0.2 -0.966 67.3-144.5-130.6 139.9 28.0 -6.9 -5.0 10 134 A E E -A 27 0A 115 17,-3.0 17,-1.9 -2,-0.4 2,-0.5 -0.826 29.0-140.5 -90.4 137.7 31.7 -6.5 -5.4 11 135 A I E +A 26 0A 84 -2,-0.4 15,-0.3 15,-0.2 2,-0.0 -0.860 21.9 176.3-108.8 129.8 33.0 -3.1 -4.3 12 136 A G E - 0 0 36 13,-4.4 -1,-0.1 -2,-0.5 3,-0.0 0.039 49.5 -33.9 -98.9-151.2 35.6 -1.0 -6.1 13 137 A R E - 0 0 139 11,-0.1 12,-3.3 1,-0.1 2,-0.5 -0.294 68.8 -98.1 -61.1 151.0 37.0 2.5 -5.3 14 138 A P E -A 24 0A 50 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.676 29.4-158.2 -68.7 127.7 34.7 5.2 -3.9 15 139 A L E S- 0 0 35 8,-2.7 2,-0.3 -2,-0.5 9,-0.2 0.882 73.0 -15.4 -76.5 -43.3 33.6 7.3 -6.9 16 140 A G E -A 23 0A 3 7,-1.2 7,-2.0 141,-0.1 2,-0.4 -0.951 64.7-130.3-149.3 168.3 32.8 10.3 -4.7 17 141 A K E -AB 22 156A 129 139,-2.6 139,-1.3 -2,-0.3 5,-0.2 -0.987 24.6-176.2-125.2 127.7 32.3 11.0 -1.0 18 142 A G E - B 0 155A 24 3,-1.9 137,-0.2 -2,-0.4 136,-0.1 -0.457 40.7-106.2-107.6-176.6 29.3 12.9 0.4 19 143 A K S S+ 0 0 159 135,-0.5 3,-0.1 1,-0.2 136,-0.1 0.737 125.9 40.3 -81.3 -27.4 28.2 14.1 3.9 20 144 A F S S- 0 0 15 1,-0.4 21,-2.3 134,-0.3 2,-0.3 0.555 133.1 -76.8 -88.4 -13.2 25.5 11.3 4.0 21 145 A G - 0 0 3 19,-0.2 -3,-1.9 20,-0.1 -1,-0.4 -0.879 52.2 -59.8 143.8-172.2 28.0 8.9 2.4 22 146 A N E -A 17 0A 15 -2,-0.3 17,-3.0 -5,-0.2 2,-0.4 -0.667 22.8-135.9-116.2 154.9 29.9 7.6 -0.6 23 147 A V E -AC 16 38A 11 -7,-2.0 -8,-2.7 15,-0.3 -7,-1.2 -0.934 29.2-163.7-105.0 134.7 29.2 6.2 -4.0 24 148 A Y E -AC 14 37A 66 13,-1.7 13,-2.5 -2,-0.4 2,-0.3 -0.855 25.5-110.4-118.1 150.7 31.5 3.2 -4.9 25 149 A L E + C 0 36A 36 -12,-3.3 -13,-4.4 -2,-0.3 2,-0.3 -0.607 53.6 167.2 -69.3 139.2 32.3 1.5 -8.1 26 150 A A E -AC 11 35A 2 9,-2.3 9,-4.1 -2,-0.3 2,-0.4 -0.993 30.4-152.3-154.4 158.9 30.7 -1.9 -8.0 27 151 A R E -AC 10 34A 96 -17,-1.9 -17,-3.0 -2,-0.3 7,-0.2 -0.998 31.9-111.1-137.2 138.0 29.6 -5.0 -9.9 28 152 A E E > -A 9 0A 25 5,-2.2 4,-1.3 -2,-0.4 -19,-0.3 -0.461 35.6-122.8 -62.0 134.9 26.9 -7.5 -9.4 29 153 A K T 4 S+ 0 0 141 -21,-2.7 -1,-0.1 2,-0.1 -20,-0.1 0.854 98.4 34.2 -50.0 -48.3 28.5 -10.7 -8.4 30 154 A Q T 4 S+ 0 0 161 -22,-0.3 -1,-0.1 1,-0.1 -21,-0.0 0.994 123.9 32.4 -78.9 -69.1 27.1 -13.0 -11.1 31 155 A S T 4 S- 0 0 78 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.736 94.8-136.1 -63.8 -21.1 26.6 -11.1 -14.4 32 156 A K < + 0 0 147 -4,-1.3 2,-0.2 1,-0.3 -3,-0.1 0.731 44.6 165.9 67.4 23.7 29.7 -9.1 -13.4 33 157 A F - 0 0 112 -5,-0.2 -5,-2.2 1,-0.1 2,-0.4 -0.493 33.7-126.4 -70.9 136.6 27.7 -6.0 -14.6 34 158 A I E +C 27 0A 51 -7,-0.2 54,-0.4 -2,-0.2 -7,-0.3 -0.698 41.7 148.5 -93.1 135.5 29.2 -2.8 -13.4 35 159 A L E -C 26 0A 8 -9,-4.1 -9,-2.3 -2,-0.4 2,-0.4 -0.769 42.7 -99.5-145.9-170.6 27.2 -0.2 -11.5 36 160 A A E -CD 25 86A 8 50,-2.5 50,-3.7 -2,-0.2 2,-0.7 -0.988 23.2-155.2-125.0 133.5 27.4 2.5 -8.9 37 161 A L E -CD 24 85A 2 -13,-2.5 -13,-1.7 -2,-0.4 2,-0.5 -0.881 5.4-158.5-113.1 106.4 26.4 2.0 -5.3 38 162 A K E -CD 23 84A 16 46,-2.2 46,-2.4 -2,-0.7 2,-0.5 -0.696 11.0-155.2 -83.2 125.1 25.3 5.1 -3.4 39 163 A V E - D 0 83A 5 -17,-3.0 2,-0.5 -2,-0.5 44,-0.2 -0.901 11.1-174.5-106.5 129.5 25.6 4.6 0.3 40 164 A L E - D 0 82A 3 42,-2.6 42,-3.7 -2,-0.5 -19,-0.2 -0.980 16.1-152.7-130.8 121.4 23.5 6.6 2.7 41 165 A F - 0 0 67 -21,-2.3 -1,-0.1 -2,-0.5 -20,-0.1 0.756 8.8-155.9 -69.4 -36.9 23.9 6.4 6.5 42 166 A K S > S+ 0 0 55 1,-0.2 4,-1.6 -22,-0.2 -1,-0.1 0.320 89.4 79.5 70.8 -13.6 20.4 7.4 7.7 43 167 A A H > S+ 0 0 47 37,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.856 101.8 39.3 -69.5 -49.6 22.2 8.4 10.8 44 168 A Q H > S+ 0 0 37 -24,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.726 115.3 53.0 -69.5 -24.2 22.9 11.4 8.6 45 169 A L H >>S+ 0 0 3 2,-0.2 5,-1.2 3,-0.1 4,-0.8 0.934 106.1 52.0 -77.1 -46.8 19.4 11.1 7.2 46 170 A E H ><5S+ 0 0 92 -4,-1.6 3,-1.9 2,-0.2 -2,-0.2 0.961 109.0 51.8 -46.8 -60.2 17.8 11.2 10.7 47 171 A K H 3<5S+ 0 0 114 -4,-2.2 403,-0.4 1,-0.3 -1,-0.2 0.914 115.2 38.7 -45.3 -59.7 19.7 14.3 11.6 48 172 A A H 3<5S- 0 0 13 -4,-1.6 -1,-0.3 401,-0.2 -2,-0.2 0.408 107.3-132.0 -79.6 2.7 18.6 16.2 8.5 49 173 A G T <<5 + 0 0 24 -3,-1.9 2,-0.7 -4,-0.8 346,-0.3 0.702 61.9 131.7 60.7 25.5 15.2 14.7 8.8 50 174 A V < + 0 0 3 -5,-1.2 -1,-0.2 1,-0.1 -2,-0.1 -0.935 23.2 110.8-107.3 108.1 14.7 13.6 5.3 51 175 A E S > S+ 0 0 31 -2,-0.7 4,-4.2 342,-0.2 5,-0.2 0.376 83.0 37.9-135.1 -66.4 13.6 10.0 5.2 52 176 A H H > S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -2,-0.1 0.766 118.6 58.3 -59.8 -26.3 10.0 9.9 4.0 53 177 A Q H >> S+ 0 0 102 2,-0.2 3,-1.1 -4,-0.2 4,-0.9 0.992 112.1 36.1 -58.3 -65.1 11.4 12.6 1.8 54 178 A L H >> S+ 0 0 5 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.860 110.7 64.5 -56.4 -37.4 14.0 10.3 0.4 55 179 A R H 3< S+ 0 0 67 -4,-4.2 4,-0.5 1,-0.3 -1,-0.3 0.783 107.2 40.7 -64.0 -28.1 11.6 7.4 0.5 56 180 A R H S+ 0 0 70 -4,-0.5 4,-1.1 -5,-0.2 -1,-0.2 0.938 112.5 34.3 -58.5 -53.7 9.8 6.0 -6.0 60 184 A I H >X S+ 0 0 37 -4,-1.3 4,-1.5 1,-0.2 3,-1.0 0.982 112.7 57.0 -67.6 -56.8 9.9 8.5 -8.7 61 185 A Q H 3< S+ 0 0 10 -4,-2.4 11,-0.9 1,-0.3 -1,-0.2 0.684 104.5 56.5 -55.5 -19.0 13.6 8.2 -9.8 62 186 A S H 3< S+ 0 0 46 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.944 107.3 46.4 -73.2 -46.5 13.0 4.5 -10.4 63 187 A H H << S+ 0 0 141 -4,-1.1 2,-0.2 -3,-1.0 -2,-0.2 0.662 92.5 102.5 -74.9 -16.6 10.1 5.1 -12.9 64 188 A L < + 0 0 10 -4,-1.5 8,-0.3 8,-0.0 2,-0.3 -0.483 48.0 177.4 -65.2 129.9 12.2 7.8 -14.6 65 189 A R + 0 0 169 -2,-0.2 5,-0.1 6,-0.1 3,-0.1 -0.887 16.5 132.7-138.6 115.0 13.7 6.7 -17.9 66 190 A H > - 0 0 22 3,-0.5 3,-0.8 -2,-0.3 5,-0.0 -0.981 55.2-125.6-150.6 148.7 15.8 8.9 -20.1 67 191 A P T 3 S+ 0 0 75 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.826 113.9 45.4 -53.2 -40.6 19.1 8.7 -22.0 68 192 A N T 3 S+ 0 0 6 47,-0.1 80,-2.3 79,-0.1 2,-0.5 0.351 101.0 78.2 -97.3 6.2 20.3 11.9 -20.4 69 193 A I B < S-f 148 0B 7 -3,-0.8 -3,-0.5 78,-0.3 2,-0.2 -0.969 87.3-116.9-111.3 130.5 19.2 11.0 -16.9 70 194 A L - 0 0 12 78,-1.9 2,-0.2 -2,-0.5 -2,-0.1 -0.469 39.9-122.4 -62.2 126.4 21.2 8.6 -14.8 71 195 A R - 0 0 78 -2,-0.2 16,-2.5 -4,-0.1 2,-0.9 -0.477 6.7-137.4 -83.8 139.0 19.0 5.6 -14.1 72 196 A L E -E 86 0A 10 -11,-0.9 14,-0.2 -8,-0.3 3,-0.1 -0.813 21.4-177.6 -91.9 109.6 18.0 4.2 -10.7 73 197 A Y E - 0 0 110 12,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.947 54.6 -48.4 -73.4 -52.1 18.3 0.4 -11.0 74 198 A G E -E 85 0A 17 11,-1.2 11,-3.6 2,-0.0 2,-0.3 -0.958 48.9-135.5-168.5 178.5 17.1 -0.7 -7.6 75 199 A Y E +E 84 0A 112 -2,-0.3 2,-0.3 9,-0.2 -71,-0.2 -0.997 18.4 163.2-150.8 150.0 17.5 -0.1 -3.8 76 200 A F E -E 83 0A 9 7,-1.8 7,-3.1 -2,-0.3 2,-0.3 -0.914 17.1-149.3-146.1 177.1 17.8 -1.9 -0.5 77 201 A H E -E 82 0A 92 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.944 3.9-163.1-143.8 165.0 18.8 -1.2 3.1 78 202 A D - 0 0 84 3,-1.7 -1,-0.1 -2,-0.3 4,-0.1 0.692 60.3 -73.8-112.7 -80.7 20.4 -3.3 5.8 79 203 A A S S+ 0 0 71 2,-0.1 -1,-0.0 3,-0.0 0, 0.0 0.156 124.5 27.8-134.7 -67.0 20.0 -1.7 9.1 80 204 A T S S+ 0 0 92 -3,-0.1 2,-0.3 -38,-0.0 -37,-0.3 0.327 118.7 46.1 -83.6 2.9 22.3 1.3 9.3 81 205 A R - 0 0 96 -39,-0.1 -3,-1.7 -38,-0.1 2,-0.4 -1.000 60.7-141.2-151.0 144.0 22.6 2.2 5.6 82 206 A V E -DE 40 77A 4 -42,-3.7 -42,-2.6 -2,-0.3 2,-0.5 -0.885 19.8-154.5-107.7 145.3 20.6 2.7 2.5 83 207 A Y E -DE 39 76A 3 -7,-3.1 -7,-1.8 -2,-0.4 2,-0.5 -0.936 5.4-163.2-128.2 111.8 21.9 1.6 -0.8 84 208 A L E -DE 38 75A 0 -46,-2.4 -46,-2.2 -2,-0.5 2,-0.9 -0.796 14.5-145.4 -91.1 127.4 21.0 3.0 -4.2 85 209 A I E -DE 37 74A 6 -11,-3.6 -12,-2.2 -2,-0.5 -11,-1.2 -0.846 31.9-172.6 -93.9 108.7 21.8 0.8 -7.1 86 210 A L E -DE 36 72A 8 -50,-3.7 -50,-2.5 -2,-0.9 -14,-0.2 -0.704 30.5-105.1-112.2 149.5 22.8 3.3 -9.8 87 211 A E - 0 0 25 -16,-2.5 2,-0.5 -2,-0.3 -52,-0.1 -0.441 45.8-120.5 -60.7 141.7 23.6 3.3 -13.4 88 212 A Y - 0 0 66 -54,-0.4 54,-0.1 -2,-0.1 -1,-0.1 -0.785 16.1-153.0 -94.5 131.4 27.3 3.8 -13.8 89 213 A A > - 0 0 10 -2,-0.5 3,-1.5 1,-0.1 51,-0.2 -0.866 4.0-164.2-107.7 106.0 28.8 6.7 -15.7 90 214 A P T 3 S+ 0 0 59 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.755 83.5 52.4 -53.9 -38.9 32.2 5.8 -17.2 91 215 A L T 3 S- 0 0 69 49,-2.1 50,-0.1 1,-0.2 2,-0.1 0.533 94.2-146.2 -90.3 -5.4 33.3 9.3 -17.9 92 216 A G < - 0 0 21 -3,-1.5 48,-2.6 48,-0.3 2,-0.4 -0.345 45.6 -7.4 77.4-155.4 32.8 11.0 -14.6 93 217 A T B >> -G 139 0B 32 46,-0.2 4,-1.8 1,-0.1 3,-1.0 -0.627 44.0-140.0 -91.9 134.6 31.7 14.6 -13.9 94 218 A V H 3> S+ 0 0 0 44,-2.2 4,-2.4 41,-0.5 42,-0.2 0.704 105.6 65.4 -57.9 -19.1 31.3 17.4 -16.4 95 219 A Y H 3> S+ 0 0 49 40,-0.7 4,-2.3 43,-0.5 -1,-0.3 0.891 100.6 47.0 -70.7 -44.9 32.9 19.5 -13.6 96 220 A R H X> S+ 0 0 105 -3,-1.0 4,-3.0 2,-0.2 3,-0.5 0.997 113.6 48.6 -54.5 -63.4 36.1 17.6 -13.9 97 221 A E H 3X S+ 0 0 26 -4,-1.8 4,-2.5 1,-0.3 5,-0.3 0.881 112.4 47.6 -46.7 -47.7 36.1 17.9 -17.6 98 222 A L H 3X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.876 111.4 50.5 -67.5 -36.7 35.3 21.6 -17.5 99 223 A Q H << S+ 0 0 108 -4,-2.3 -1,-0.2 -3,-0.5 -2,-0.2 0.943 110.4 51.9 -61.6 -46.6 38.0 22.2 -15.0 100 224 A K H < S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.915 121.1 29.8 -53.7 -54.5 40.5 20.2 -17.2 101 225 A L H < S- 0 0 75 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 0.617 97.4-140.5 -81.5 -16.2 39.8 22.2 -20.4 102 226 A S S < S+ 0 0 84 -4,-1.6 2,-0.3 -5,-0.3 -4,-0.1 -0.045 77.2 16.8 75.5 -26.9 39.0 25.3 -18.4 103 227 A K S S- 0 0 101 -2,-0.5 96,-0.2 -6,-0.1 2,-0.2 -0.964 72.6-131.9-160.6 160.0 36.1 26.1 -20.8 104 228 A F - 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0 0 32 -3,-2.2 14,-0.0 -4,-0.2 -3,-0.0 -0.689 67.7-131.8 -85.2 129.7 15.3 32.0 7.2 439 297 B P > - 0 0 2 0, 0.0 4,-3.0 0, 0.0 3,-0.4 -0.469 25.2-106.8 -79.0 153.4 18.6 30.9 8.7 440 298 B P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.851 119.9 53.6 -49.1 -46.6 22.0 31.5 6.9 441 299 B E H 4>S+ 0 0 5 67,-0.2 5,-2.1 1,-0.2 4,-0.4 0.924 113.5 43.0 -54.0 -49.4 22.4 27.8 6.1 442 300 B M H >45S+ 0 0 46 -3,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.951 117.5 43.2 -66.4 -49.5 18.9 27.8 4.4 443 301 B I H 3<5S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.941 111.6 56.5 -58.6 -44.3 19.3 31.1 2.6 444 302 B E T 3<5S- 0 0 4 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.461 116.1-113.7 -71.0 -4.5 22.8 30.2 1.5 445 303 B G T < 5 + 0 0 32 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.955 69.3 133.0 71.7 50.6 21.6 27.0 -0.1 446 304 B R < - 0 0 68 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.2 -0.871 64.0 -88.6-126.1 161.8 23.3 24.4 2.2 447 305 B M - 0 0 104 -2,-0.3 2,-0.4 1,-0.0 -5,-0.0 -0.505 46.6-154.7 -75.0 141.2 21.9 21.3 3.8 448 306 B H - 0 0 46 -2,-0.2 -1,-0.0 -400,-0.1 2,-0.0 -0.912 8.6-151.4-127.6 142.4 20.3 22.0 7.2 449 307 B D > - 0 0 41 -2,-0.4 3,-1.1 -400,-0.0 4,-0.2 0.004 52.7 -74.1 -89.3-165.2 19.6 19.9 10.4 450 308 B E T > S+ 0 0 50 -403,-0.4 3,-0.7 1,-0.2 4,-0.3 0.596 117.4 85.0 -66.5 -11.6 16.9 20.3 13.0 451 309 B K T >> + 0 0 24 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.558 67.8 78.5 -72.5 -6.4 18.8 23.3 14.2 452 310 B V H X> S+ 0 0 1 -3,-1.1 4,-1.7 1,-0.2 3,-1.0 0.943 87.1 58.7 -62.7 -45.0 17.1 25.6 11.7 453 311 B D H <> S+ 0 0 1 -3,-0.7 4,-1.7 1,-0.3 -1,-0.2 0.653 99.1 58.1 -62.7 -18.2 14.0 25.8 13.8 454 312 B L H <> S+ 0 0 2 -3,-0.5 4,-1.7 -4,-0.3 -1,-0.3 0.855 101.3 55.4 -76.6 -32.8 16.1 27.2 16.7 455 313 B W H - 0 0 13 0, 0.0 3,-0.9 0, 0.0 -9,-0.1 -0.428 30.5-115.5 -76.5 159.8 12.1 41.1 13.2 470 328 B P T 3 S+ 0 0 15 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.766 111.4 42.6 -68.5 -29.5 15.9 41.5 13.8 471 329 B F T 3 S+ 0 0 0 -35,-0.2 11,-0.2 17,-0.1 12,-0.2 0.360 78.3 141.3-100.6 4.5 17.0 41.4 10.2 472 330 B E < + 0 0 91 -3,-0.9 2,-0.3 10,-0.1 -39,-0.1 -0.164 20.9 153.4 -49.4 135.3 14.2 43.6 8.7 473 331 B A - 0 0 29 9,-0.0 -37,-0.1 0, 0.0 -2,-0.1 -0.941 53.3-113.1-155.7 168.6 15.5 45.8 5.9 474 332 B N S S+ 0 0 159 -2,-0.3 2,-0.4 2,-0.0 3,-0.1 0.338 99.2 52.0 -95.2 6.7 14.2 47.6 2.8 475 333 B T S > S- 0 0 54 1,-0.1 4,-2.2 -43,-0.0 5,-0.2 -0.994 77.8-132.8-134.7 144.9 16.2 45.5 0.3 476 334 B Y H > S+ 0 0 49 -2,-0.4 4,-2.9 1,-0.2 5,-0.1 0.861 110.1 52.9 -60.9 -33.5 16.4 41.7 0.2 477 335 B Q H > S+ 0 0 18 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.949 107.2 48.4 -66.2 -53.2 20.1 42.1 -0.1 478 336 B E H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 113.9 48.6 -56.1 -41.4 20.5 44.2 3.0 479 337 B T H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.968 112.5 47.2 -60.5 -53.1 18.4 41.8 4.8 480 338 B Y H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.891 109.2 56.6 -57.8 -38.2 20.4 38.9 3.5 481 339 B K H X S+ 0 0 45 -4,-3.7 4,-2.4 1,-0.2 5,-0.2 0.974 109.7 43.7 -50.7 -58.1 23.5 40.9 4.5 482 340 B R H X>S+ 0 0 78 -4,-2.4 5,-2.8 1,-0.2 4,-0.5 0.854 113.0 52.2 -61.8 -40.6 22.4 41.2 8.2 483 341 B I H ><5S+ 0 0 0 -4,-2.5 3,-1.3 3,-0.2 -1,-0.2 0.995 113.6 40.5 -57.7 -64.2 21.3 37.6 8.4 484 342 B S H 3<5S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.843 122.7 40.4 -57.9 -38.5 24.5 36.0 7.1 485 343 B R H 3<5S- 0 0 120 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.510 109.2-130.8 -90.2 -4.2 26.7 38.4 9.0 486 344 B V T <<5 + 0 0 37 -3,-1.3 2,-0.8 -4,-0.5 -3,-0.2 0.926 42.8 168.6 56.7 52.2 24.3 38.1 11.9 487 345 B E < + 0 0 68 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.827 11.2 136.6-101.0 106.9 24.0 41.8 12.5 488 346 B F - 0 0 35 -2,-0.8 2,-0.3 -5,-0.0 -17,-0.1 -0.975 29.9-162.4-151.8 140.9 21.2 42.6 14.8 489 347 B T - 0 0 119 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.942 17.2-127.4-124.7 145.4 20.9 45.1 17.7 490 348 B F - 0 0 44 -2,-0.3 2,-0.2 2,-0.1 -28,-0.0 -0.595 23.7-116.8 -87.9 148.7 18.4 45.2 20.5 491 349 B P > - 0 0 37 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.510 42.3 -96.5 -73.3 159.3 16.4 48.4 21.4 492 350 B D T 3 S+ 0 0 142 1,-0.2 -2,-0.1 -2,-0.2 0, 0.0 0.805 114.8 59.1 -46.9 -42.7 17.1 49.7 24.9 493 351 B F T 3 S+ 0 0 91 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.678 70.1 115.1 -72.4 -21.7 14.2 48.1 26.7 494 352 B V S < S- 0 0 8 -3,-1.4 5,-0.1 1,-0.1 -4,-0.1 -0.240 73.4-114.4 -56.9 123.3 14.8 44.4 26.1 495 353 B T >> - 0 0 42 1,-0.2 4,-2.3 2,-0.1 3,-0.5 -0.248 18.2-126.8 -51.2 138.5 15.6 42.6 29.3 496 354 B E H 3> S+ 0 0 157 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.847 112.3 59.5 -56.8 -34.3 19.2 41.3 29.3 497 355 B G H 3> S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.853 105.8 49.6 -63.9 -33.3 17.8 37.8 30.1 498 356 B A H <> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.980 109.6 49.6 -62.8 -59.1 15.9 38.1 26.8 499 357 B R H X S+ 0 0 63 -4,-2.3 4,-3.5 1,-0.2 5,-0.4 0.916 106.9 58.1 -45.8 -50.1 19.0 39.1 25.0 500 358 B D H X S+ 0 0 63 -4,-3.4 4,-3.3 1,-0.2 5,-0.3 0.949 111.4 38.7 -45.8 -65.7 20.8 36.2 26.5 501 359 B L H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.927 118.6 47.3 -53.0 -55.5 18.3 33.7 25.1 502 360 B I H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.938 114.3 47.2 -50.2 -51.1 17.9 35.4 21.7 503 361 B S H < S+ 0 0 41 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.925 112.7 48.6 -61.0 -47.7 21.7 35.8 21.3 504 362 B R H < S+ 0 0 93 -4,-3.3 -1,-0.3 -5,-0.4 -2,-0.2 0.887 113.8 50.9 -57.8 -36.6 22.2 32.2 22.3 505 363 B L H < S+ 0 0 2 -4,-2.9 2,-1.0 -5,-0.3 -47,-0.2 0.837 102.2 58.6 -78.7 -32.2 19.5 31.4 19.7 506 364 B L < + 0 0 3 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.730 67.6 148.3-101.4 98.4 20.8 33.3 16.7 507 365 B K - 0 0 75 -2,-1.0 6,-0.1 -3,-0.1 -21,-0.1 -0.971 50.2-138.1-126.7 131.7 24.2 31.9 16.0 508 366 B H S S+ 0 0 69 -2,-0.4 -67,-0.2 1,-0.1 -1,-0.1 0.886 94.7 73.3 -55.2 -34.4 25.6 31.6 12.5 509 367 B N S > S- 0 0 70 1,-0.2 3,-1.4 -3,-0.1 4,-0.3 -0.689 72.7-156.2 -86.2 111.1 26.9 28.2 13.6 510 368 B P G > S+ 0 0 33 0, 0.0 3,-2.7 0, 0.0 -1,-0.2 0.937 94.3 55.9 -50.5 -51.7 24.0 25.7 13.8 511 369 B S G 3 S+ 0 0 83 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.748 100.9 59.9 -47.6 -32.8 26.0 23.5 16.2 512 370 B Q G < S+ 0 0 113 -3,-1.4 -1,-0.3 -5,-0.0 -4,-0.1 0.407 86.0 97.3 -82.2 0.3 26.4 26.5 18.6 513 371 B R S < S- 0 0 4 -3,-2.7 -8,-0.1 -4,-0.3 -58,-0.1 -0.804 81.7-102.6 -95.6 141.0 22.6 26.9 18.9 514 372 B P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.142 29.4-108.4 -55.9 160.0 20.9 25.3 22.0 515 373 B M > - 0 0 112 1,-0.1 4,-0.9 -61,-0.0 3,-0.3 -0.563 40.0-103.7 -76.5 159.6 18.9 22.2 22.1 516 374 B L H > S+ 0 0 12 1,-0.2 4,-1.5 -2,-0.2 3,-0.3 0.829 120.4 52.7 -57.3 -35.3 15.2 22.7 22.6 517 375 B R H > S+ 0 0 201 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 98.5 62.3 -71.9 -34.8 15.2 21.8 26.2 518 376 B E H > S+ 0 0 92 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.833 104.7 52.0 -54.9 -30.0 18.0 24.2 27.1 519 377 B V H < S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.922 109.1 46.2 -71.2 -48.9 15.4 26.8 25.9 520 378 B L H < S+ 0 0 44 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.746 114.7 50.8 -65.8 -23.2 12.7 25.4 28.2 521 379 B E H < S+ 0 0 145 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.821 82.5 123.1 -75.8 -32.4 15.4 25.4 30.9 522 380 B H X - 0 0 8 -4,-1.4 4,-2.5 -5,-0.2 5,-0.3 0.073 66.5-130.3 -49.2 132.7 16.5 29.0 30.3 523 381 B P H > S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.818 108.8 45.8 -46.7 -43.7 16.2 31.3 33.4 524 382 B W H > S+ 0 0 13 -27,-0.3 4,-2.4 2,-0.2 5,-0.2 0.877 111.9 52.7 -75.7 -35.8 14.3 34.0 31.6 525 383 B I H > S+ 0 0 4 -6,-0.2 4,-1.6 2,-0.2 3,-0.3 0.997 115.7 38.6 -55.8 -69.1 12.0 31.4 30.0 526 384 B T H < S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.851 114.1 60.1 -51.6 -40.8 11.2 29.8 33.4 527 385 B A H < S+ 0 0 73 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.934 119.3 20.2 -48.3 -62.5 11.1 33.3 35.0 528 386 B N H < S+ 0 0 39 -4,-2.4 -151,-0.3 -3,-0.3 2,-0.2 0.357 99.2 109.4 -98.6 3.1 8.3 35.0 32.9 529 387 B S < - 0 0 25 -4,-1.6 -155,-0.1 -5,-0.2 -156,-0.1 -0.547 52.8-157.9 -82.4 147.0 6.5 31.9 31.5 530 388 B S 0 0 111 -157,-0.4 -1,-0.1 -2,-0.2 -4,-0.1 0.541 360.0 360.0 -87.3 -8.3 3.1 30.8 32.7 531 389 B K 0 0 131 -155,-0.0 -2,-0.1 0, 0.0 -154,-0.0 -0.028 360.0 360.0-113.6 360.0 3.8 27.2 31.5