==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBIATOR 16-APR-10 3ML9 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.KNIGHTON . 847 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 45 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 3 2 3 2 2 1 0 2 4 1 2 1 0 1 2 2 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 7 4 2 2 2 3 2 1 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 . 1 2 2 1 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 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 1 144 A S 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.3 37.0 -28.2 52.4 2 145 A E >> + 0 0 109 3,-0.1 3,-2.2 4,-0.0 4,-1.7 0.583 360.0 51.4-131.7 -56.1 38.7 -25.1 53.7 3 146 A E H 3> S+ 0 0 165 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.873 118.1 47.0 -56.6 -34.7 41.9 -24.2 51.8 4 147 A S H 34 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.258 114.8 49.9 -93.2 42.4 39.5 -24.5 48.9 5 148 A Q H <4 S+ 0 0 119 -3,-2.2 -2,-0.2 2,-0.0 -1,-0.2 0.331 98.3 58.3-154.7 -16.3 37.1 -22.4 50.9 6 149 A A H >X S+ 0 0 15 -4,-1.7 3,-1.1 -3,-0.2 4,-0.6 0.634 94.1 76.6 -85.3 -21.1 39.2 -19.4 51.9 7 150 A F H >X S+ 0 0 24 -4,-0.5 3,-2.4 -5,-0.4 4,-2.1 0.915 84.3 58.8 -47.4 -52.4 39.6 -19.1 48.2 8 151 A Q H 3> S+ 0 0 26 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.755 98.0 61.5 -56.9 -24.5 36.2 -17.6 47.8 9 152 A R H <4 S+ 0 0 168 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.759 106.2 45.7 -73.3 -23.8 37.3 -14.8 50.2 10 153 A Q H XX S+ 0 0 72 -3,-2.4 4,-2.5 -4,-0.6 3,-0.8 0.879 112.5 49.3 -81.8 -43.0 40.0 -13.9 47.6 11 154 A L H 3X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.3 5,-0.4 0.952 108.4 53.1 -58.1 -48.5 37.5 -14.0 44.7 12 155 A T H 3X S+ 0 0 38 -4,-2.7 4,-0.8 1,-0.2 -1,-0.3 0.665 110.1 52.6 -59.9 -13.4 35.2 -11.9 46.8 13 156 A A H <4 S+ 0 0 50 -3,-0.8 -2,-0.3 2,-0.1 -1,-0.2 0.880 111.9 40.6 -86.9 -46.9 38.2 -9.7 47.0 14 157 A L H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.893 118.9 46.9 -69.6 -38.2 38.9 -9.5 43.3 15 158 A I H < S- 0 0 1 -4,-3.4 -3,-0.2 -5,-0.2 -1,-0.2 0.925 94.8-139.4 -71.0 -47.6 35.2 -9.1 42.4 16 159 A G S < S+ 0 0 52 -4,-0.8 2,-0.3 -5,-0.4 -3,-0.1 0.572 75.3 72.3 94.2 11.1 34.4 -6.5 44.9 17 160 A Y S S- 0 0 44 -6,-0.2 2,-1.2 469,-0.1 -1,-0.2 -0.966 85.8-113.4-155.1 145.5 31.0 -8.0 45.8 18 161 A D > - 0 0 60 -2,-0.3 3,-1.2 1,-0.2 -9,-0.1 -0.634 27.9-174.8 -86.9 96.6 30.1 -11.1 47.8 19 162 A V T 3 S+ 0 0 9 -2,-1.2 -1,-0.2 1,-0.3 468,-0.0 0.674 80.5 59.5 -68.3 -17.5 28.5 -13.5 45.2 20 163 A T T 3 S+ 0 0 60 -12,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.734 82.8 107.8 -84.2 -22.8 27.5 -16.0 47.8 21 164 A D < - 0 0 63 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 0.119 44.9-174.7 -44.2 165.9 25.4 -13.5 49.7 22 165 A V > + 0 0 89 3,-0.0 3,-1.2 4,-0.0 -1,-0.1 0.292 50.4 110.8-147.9 -0.2 21.6 -13.9 49.6 23 166 A S T 3 S+ 0 0 90 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.627 86.3 40.4 -60.0 -14.7 20.4 -10.8 51.5 24 167 A N T 3 S+ 0 0 10 268,-0.0 265,-0.4 264,-0.0 2,-0.3 -0.241 92.1 92.8-134.3 49.8 19.0 -9.3 48.3 25 168 A V < - 0 0 47 -3,-1.2 3,-0.1 263,-0.1 263,-0.0 -0.965 44.3-165.7-133.3 157.9 17.4 -12.0 46.2 26 169 A H S S+ 0 0 48 -2,-0.3 2,-0.3 242,-0.0 -1,-0.0 0.092 81.0 16.1-124.7 18.0 13.8 -13.3 45.8 27 170 A D S S- 0 0 34 231,-0.0 3,-0.2 0, 0.0 4,-0.2 -0.937 84.2 -97.7-164.8-172.4 14.7 -16.4 44.0 28 171 A D S > S+ 0 0 55 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.106 76.8 118.3-108.2 34.2 17.6 -18.7 43.1 29 172 A E H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 77.4 45.3 -71.3 -41.9 18.3 -17.2 39.7 30 173 A L H > S+ 0 0 13 -3,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.954 116.1 46.8 -63.7 -46.7 21.9 -16.0 40.4 31 174 A E H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 113.1 49.8 -58.5 -45.8 22.7 -19.3 42.2 32 175 A F H X S+ 0 0 70 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.842 111.7 49.1 -61.1 -34.4 21.2 -21.2 39.2 33 176 A T H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.899 107.7 52.6 -77.4 -39.7 23.3 -19.1 36.9 34 177 A R H >X S+ 0 0 39 -4,-3.1 4,-1.0 2,-0.2 3,-0.6 0.975 113.6 44.2 -53.7 -55.1 26.5 -19.6 38.8 35 178 A R H >< S+ 0 0 155 -4,-2.6 3,-0.8 1,-0.2 4,-0.5 0.912 111.9 55.9 -54.9 -40.9 25.8 -23.4 38.6 36 179 A G H >< S+ 0 0 17 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.847 103.7 52.4 -60.2 -34.3 24.9 -22.8 34.9 37 180 A L H S+ 0 0 94 -3,-0.6 4,-2.2 -4,-0.5 -1,-0.2 0.921 109.7 45.6 -70.8 -48.4 30.0 -26.0 32.2 40 183 A P H > S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.825 113.1 53.1 -66.3 -30.0 31.0 -23.3 29.7 41 184 A R H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.953 114.1 39.2 -65.4 -52.0 33.9 -22.3 31.8 42 185 A M H X S+ 0 0 81 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.822 110.3 60.9 -71.5 -31.7 35.4 -25.8 32.1 43 186 A A H X S+ 0 0 54 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.928 113.4 36.9 -57.3 -42.7 34.5 -26.6 28.5 44 187 A E H X S+ 0 0 15 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.831 113.4 54.3 -84.6 -34.7 36.8 -23.7 27.5 45 188 A V H < S+ 0 0 34 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.899 115.1 42.5 -64.2 -39.7 39.6 -24.2 30.1 46 189 A A H < S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 115.3 52.1 -70.9 -30.9 39.9 -27.7 28.9 47 190 A S H < S+ 0 0 91 -4,-1.0 2,-0.3 -5,-0.3 -2,-0.2 0.589 87.0 95.6 -88.7 -11.1 39.6 -26.7 25.3 48 191 A R S < S- 0 0 25 -4,-1.2 412,-0.0 -3,-0.3 411,-0.0 -0.617 79.0-114.5 -86.7 139.6 42.3 -24.0 25.1 49 192 A D > - 0 0 89 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.543 22.7-140.9 -68.5 124.4 45.9 -24.7 23.9 50 193 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.880 93.9 45.6 -60.2 -40.9 48.2 -24.2 26.9 51 194 A K H >> S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.999 114.0 44.3 -62.8 -70.0 51.1 -22.6 25.0 52 195 A L H 3> S+ 0 0 75 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.787 115.6 53.2 -47.8 -31.2 49.2 -20.1 22.9 53 196 A Y H 3< S+ 0 0 7 -4,-1.9 3,-0.5 2,-0.2 408,-0.4 0.923 106.3 48.2 -71.4 -46.4 47.2 -19.3 26.0 54 197 A A H << S+ 0 0 7 -4,-2.1 -2,-0.2 -3,-0.7 -1,-0.2 0.773 123.3 35.5 -67.2 -24.6 50.1 -18.5 28.3 55 198 A M H < S- 0 0 8 -4,-1.8 66,-0.5 -5,-0.1 -1,-0.2 0.336 85.8-160.0-114.0 3.1 51.6 -16.3 25.6 56 199 A H < - 0 0 22 -4,-0.7 65,-0.2 -3,-0.5 -3,-0.1 0.651 13.4-148.6 28.3 55.0 48.5 -14.8 24.1 57 200 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 65,-0.1 -0.208 10.1-130.5 -49.7 148.6 50.0 -13.7 20.8 58 201 A W + 0 0 67 63,-0.3 74,-1.9 -3,-0.1 75,-0.4 -0.898 44.1 164.9-109.5 104.9 48.2 -10.5 19.6 59 202 A V B -A 131 0A 40 -2,-0.7 367,-0.3 72,-0.2 2,-0.3 -0.641 26.0-162.7-129.3 168.6 47.2 -11.3 16.0 60 203 A T - 0 0 2 70,-1.2 -2,-0.0 -2,-0.2 365,-0.0 -0.968 15.4-163.9-160.4 135.6 45.0 -10.1 13.2 61 204 A S + 0 0 95 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.586 60.3 110.4-100.2 -13.0 43.8 -11.5 9.9 62 205 A K S S- 0 0 71 1,-0.1 -2,-0.1 68,-0.1 564,-0.0 -0.265 84.4 -91.3 -56.6 148.0 42.7 -8.2 8.4 63 206 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.294 41.6-100.7 -61.5 148.0 45.0 -7.3 5.5 64 207 A L - 0 0 9 -3,-0.1 5,-0.1 1,-0.1 66,-0.1 -0.586 54.0-113.1 -62.8 129.0 48.0 -5.2 6.2 65 208 A P >> - 0 0 9 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.171 16.3-111.8 -68.3 164.5 46.7 -1.7 5.1 66 209 A E H >> S+ 0 0 143 1,-0.3 4,-1.8 559,-0.2 3,-1.3 0.945 111.5 63.8 -62.5 -49.7 48.1 0.1 2.1 67 210 A Y H 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.408 106.8 46.7 -61.1 6.8 49.6 3.0 4.1 68 211 A L H <4 S+ 0 0 5 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.586 101.6 58.6-123.1 -20.9 52.0 0.4 5.7 69 212 A W H X< S+ 0 0 97 -3,-1.3 3,-2.0 -4,-0.9 6,-0.2 0.892 105.2 54.7 -65.5 -41.4 53.1 -1.6 2.7 70 213 A K T 3< S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.751 102.5 56.9 -65.8 -22.1 54.4 1.7 1.4 71 214 A K T 3 S+ 0 0 92 -5,-0.3 2,-0.7 1,-0.1 -1,-0.3 0.467 89.5 88.7 -85.7 -1.6 56.3 2.0 4.6 72 215 A I S < S- 0 0 12 -3,-2.0 3,-0.4 1,-0.2 5,-0.1 -0.879 78.0-140.8 -99.2 112.8 58.0 -1.3 3.9 73 216 A A S S- 0 0 82 -2,-0.7 -1,-0.2 3,-0.4 2,-0.2 0.834 74.8 -35.2 -35.9 -81.0 61.2 -0.7 1.9 74 217 A N S S- 0 0 128 2,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.667 110.4 -46.0-149.7 96.6 60.9 -3.7 -0.4 75 218 A N S S+ 0 0 97 -3,-0.4 2,-0.4 -2,-0.2 20,-0.1 0.870 111.8 121.3 53.5 37.7 59.4 -6.9 0.9 76 219 A C + 0 0 23 17,-0.2 2,-0.4 18,-0.1 -3,-0.4 -0.927 39.3 176.1-145.9 108.5 61.8 -6.2 3.8 77 220 A I E -B 92 0B 8 15,-3.6 15,-3.0 -2,-0.4 2,-0.5 -0.943 22.3-141.5-111.8 136.5 61.1 -5.7 7.5 78 221 A F E -B 91 0B 101 -2,-0.4 66,-0.9 13,-0.2 2,-0.4 -0.853 17.8-175.5-103.0 128.2 63.9 -5.2 10.0 79 222 A I E -Bc 90 144B 9 11,-1.6 11,-1.9 -2,-0.5 2,-0.7 -0.937 18.2-142.8-118.3 141.7 63.8 -6.8 13.4 80 223 A V E -Bc 89 145B 18 64,-4.0 66,-2.4 -2,-0.4 2,-0.7 -0.889 14.3-159.4-107.0 106.8 66.4 -6.3 16.2 81 224 A I E - c 0 146B 3 7,-2.7 2,-0.4 -2,-0.7 66,-0.2 -0.744 8.9-158.0 -85.8 115.3 66.9 -9.6 18.1 82 225 A H + 0 0 42 64,-3.8 5,-0.2 -2,-0.7 3,-0.1 -0.792 21.3 168.6 -94.0 134.5 68.4 -8.9 21.6 83 226 A R S S- 0 0 157 3,-0.9 -1,-0.2 -2,-0.4 4,-0.1 0.704 75.8 -44.1 -97.1 -87.8 70.3 -11.5 23.5 84 227 A S S S- 0 0 93 2,-0.2 3,-0.0 3,-0.1 -2,-0.0 0.682 112.9 -42.6-104.1 -82.5 72.1 -9.8 26.4 85 228 A T S S+ 0 0 125 2,-0.1 2,-1.6 -3,-0.1 -3,-0.0 0.298 117.6 102.2-123.6 -5.7 73.6 -6.6 25.1 86 229 A T - 0 0 95 1,-0.0 -3,-0.9 2,-0.0 -2,-0.2 -0.653 61.1-174.7 -73.0 89.2 74.8 -8.5 22.0 87 230 A S - 0 0 66 -2,-1.6 2,-0.2 -5,-0.2 -5,-0.2 0.233 7.6-167.9 -67.4-163.2 72.1 -7.2 19.7 88 231 A Q - 0 0 96 -5,-0.0 -7,-2.7 2,-0.0 2,-0.3 -0.535 12.1-142.7 167.8 131.9 71.5 -8.2 16.1 89 232 A T E -B 80 0B 75 -9,-0.2 2,-0.4 -2,-0.2 -9,-0.2 -0.790 17.1-169.5-106.2 143.1 69.5 -7.1 13.0 90 233 A I E -B 79 0B 17 -11,-1.9 -11,-1.6 -2,-0.3 2,-0.9 -0.987 24.9-129.0-134.6 143.7 67.8 -9.3 10.5 91 234 A K E +B 78 0B 174 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.807 39.0 178.0 -87.3 106.8 66.1 -8.8 7.1 92 235 A V E -B 77 0B 4 -15,-3.0 -15,-3.6 -2,-0.9 9,-0.0 -0.873 25.4-126.0-114.3 144.9 62.8 -10.6 7.4 93 236 A S > - 0 0 28 -2,-0.4 3,-2.4 -17,-0.2 35,-0.3 -0.660 23.4-119.1 -89.1 144.8 60.0 -10.8 4.8 94 237 A P T 3 S+ 0 0 0 0, 0.0 35,-1.8 0, 0.0 36,-0.2 0.753 114.9 54.1 -51.4 -27.4 56.4 -9.7 5.7 95 238 A D T 3 S+ 0 0 97 32,-0.1 2,-0.4 33,-0.1 -2,-0.0 0.122 83.7 127.0 -98.1 20.7 55.2 -13.2 5.1 96 239 A D < - 0 0 45 -3,-2.4 32,-2.1 1,-0.0 33,-0.1 -0.660 58.0-130.2 -86.4 128.4 57.7 -14.8 7.5 97 240 A T - 0 0 48 -2,-0.4 4,-0.4 30,-0.2 28,-0.1 -0.336 20.5-123.4 -62.9 154.1 56.6 -17.2 10.2 98 241 A P S > S+ 0 0 5 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.892 112.0 48.9 -68.8 -43.0 58.0 -16.3 13.7 99 242 A G G >> S+ 0 0 33 1,-0.2 3,-1.5 25,-0.2 4,-1.0 0.902 103.5 61.9 -61.8 -39.1 59.6 -19.7 14.2 100 243 A A G 34 S+ 0 0 38 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.700 90.4 67.9 -61.6 -19.9 61.1 -19.4 10.8 101 244 A I G <4 S+ 0 0 4 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.065 103.7 46.8 -84.4 23.6 62.9 -16.4 12.2 102 245 A L T X> S+ 0 0 17 -3,-1.5 4,-2.9 3,-0.1 3,-0.7 0.456 103.5 54.9-133.0 -28.6 64.7 -19.0 14.2 103 246 A Q T 3< S+ 0 0 135 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.424 115.6 47.1 -76.0 -0.7 65.5 -21.5 11.5 104 247 A S T 34 S+ 0 0 51 -5,-0.3 -1,-0.2 -4,-0.1 -3,-0.1 0.187 120.9 33.4-123.9 9.7 67.0 -18.3 10.2 105 248 A F T X4 S+ 0 0 41 -3,-0.7 3,-1.1 -15,-0.0 -2,-0.2 0.480 106.7 63.9-133.1 -30.2 68.8 -17.3 13.4 106 249 A F T 3< S+ 0 0 101 -4,-2.9 -3,-0.1 1,-0.3 -4,-0.1 0.171 96.7 68.1 -76.0 16.1 69.7 -20.7 14.8 107 250 A T T 3 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.172 360.0 360.0-120.2 33.0 71.7 -20.6 11.5 108 251 A K < 0 0 172 -3,-1.1 -2,-0.2 0, 0.0 -3,-0.0 0.256 360.0 360.0 170.9 360.0 74.0 -17.9 12.9 109 ! 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 0.0 110 269 A D 0 0 184 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.6 63.3 -24.5 22.1 111 270 A F - 0 0 96 39,-0.1 2,-0.3 37,-0.0 39,-0.2 -0.822 360.0-147.1-121.2 154.8 63.2 -20.6 22.5 112 271 A V B -E 149 0C 10 37,-3.3 37,-2.7 -2,-0.3 2,-0.7 -0.898 17.5-123.0-122.8 148.8 60.6 -17.9 21.9 113 272 A L - 0 0 7 9,-0.4 9,-1.9 -2,-0.3 2,-0.2 -0.797 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-1,-0.2 0.936 85.0 101.6 -73.8 -49.5 16.7 0.5 4.1 333 561 A T S < S- 0 0 33 -4,-1.7 -3,-0.0 -5,-0.2 486,-0.0 0.173 80.9 -93.7 -32.8 150.4 15.7 3.1 6.7 334 562 A D > - 0 0 5 1,-0.1 3,-0.9 4,-0.0 -1,-0.1 -0.095 33.5 -98.9 -79.7 172.5 18.1 3.5 9.7 335 563 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 452,-0.1 0.862 120.2 46.2 -59.7 -38.3 17.9 1.8 13.1 336 564 A L T 3 S+ 0 0 23 2,-0.1 -3,-0.0 474,-0.1 475,-0.0 0.592 82.6 109.3 -83.8 -12.9 16.3 4.8 14.8 337 565 A N S < S- 0 0 51 -3,-0.9 0, 0.0 1,-0.1 0, 0.0 -0.493 73.8-119.7 -69.0 124.6 13.7 5.6 12.2 338 566 A P - 0 0 85 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.258 15.5-132.2 -73.1 151.0 10.3 4.6 13.7 339 567 A L - 0 0 33 27,-0.1 2,-0.1 4,-0.0 -9,-0.0 -0.895 15.8-143.9-101.4 124.0 7.9 2.0 12.3 340 568 A T > - 0 0 68 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.367 30.8-107.4 -66.5 159.7 4.3 2.8 11.9 341 569 A A H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.884 124.7 57.2 -48.9 -40.8 1.6 0.2 12.5 342 570 A E H > S+ 0 0 104 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.919 106.8 45.9 -62.2 -44.7 1.3 0.3 8.7 343 571 A D H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 113.3 51.7 -62.9 -39.7 5.0 -0.6 8.2 344 572 A K H X S+ 0 0 78 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 106.9 49.4 -70.0 -41.8 4.8 -3.3 10.8 345 573 A E H X S+ 0 0 139 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.831 112.7 51.7 -66.7 -28.3 1.7 -5.1 9.3 346 574 A L H X S+ 0 0 15 -4,-1.3 4,-2.3 -5,-0.3 -2,-0.2 0.922 109.4 46.6 -73.9 -44.9 3.6 -5.0 6.0 347 575 A L H < S+ 0 0 0 -4,-2.3 7,-0.2 2,-0.2 -2,-0.2 0.884 116.4 47.7 -63.4 -38.7 6.8 -6.5 7.3 348 576 A W H >< S+ 0 0 38 -4,-2.4 3,-1.8 -5,-0.2 4,-0.2 0.957 110.7 47.5 -71.5 -50.7 4.8 -9.2 9.1 349 577 A H H 3< S+ 0 0 130 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.916 121.9 38.2 -53.7 -46.3 2.6 -10.2 6.2 350 578 A F T 3X S+ 0 0 25 -4,-2.3 4,-1.2 1,-0.2 -1,-0.3 -0.122 79.2 130.5 -96.8 37.6 5.6 -10.4 3.9 351 579 A R H X> + 0 0 39 -3,-1.8 4,-1.5 1,-0.2 3,-0.9 0.936 68.6 54.4 -57.9 -46.3 7.8 -11.9 6.6 352 580 A Y H >4 S+ 0 0 55 -3,-0.3 3,-0.5 1,-0.3 4,-0.5 0.907 110.9 44.2 -57.3 -42.3 9.1 -14.6 4.3 353 581 A E H 34 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.695 113.0 56.1 -70.8 -15.9 10.2 -12.2 1.7 354 582 A S H X< S+ 0 0 0 -4,-1.2 3,-1.0 -3,-0.9 6,-0.3 0.691 93.6 67.1 -85.4 -20.8 11.6 -10.3 4.6 355 583 A L T << S+ 0 0 12 -4,-1.5 34,-0.2 -3,-0.5 -1,-0.2 0.688 87.6 67.6 -74.8 -18.1 13.7 -13.2 5.8 356 584 A K T 3 S+ 0 0 112 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 0.602 94.5 64.0 -76.1 -10.9 15.9 -13.0 2.7 357 585 A H X - 0 0 80 -3,-1.0 3,-3.2 1,-0.2 4,-0.3 -0.874 61.8-167.7-120.1 101.8 17.4 -9.7 3.9 358 586 A P G > S+ 0 0 23 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.867 89.6 70.4 -57.2 -32.9 19.3 -9.8 7.1 359 587 A K G 3 S+ 0 0 93 1,-0.3 4,-0.3 2,-0.1 -5,-0.0 0.764 96.7 54.1 -46.3 -27.9 19.1 -6.0 7.0 360 588 A A G <> S+ 0 0 0 -3,-3.2 4,-2.7 -6,-0.3 -1,-0.3 0.556 80.5 90.3 -89.9 -9.2 15.4 -6.5 7.7 361 589 A Y H <> S+ 0 0 0 -3,-2.2 4,-3.0 -4,-0.3 5,-0.2 0.881 83.4 52.7 -66.0 -41.7 15.6 -8.6 10.9 362 590 A P H 4 S+ 0 0 7 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.932 118.1 38.9 -56.6 -42.8 15.7 -5.8 13.4 363 591 A K H 4 S+ 0 0 15 -4,-0.3 -2,-0.2 2,-0.2 3,-0.2 0.840 115.2 52.3 -78.9 -30.8 12.5 -4.4 11.9 364 592 A L H >< S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.2 4,-0.2 0.970 109.8 47.4 -69.3 -50.5 10.9 -7.7 11.2 365 593 A F T 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.559 109.4 57.2 -70.9 -5.4 11.3 -8.9 14.8 366 594 A S T 3 S+ 0 0 32 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.374 94.1 65.1 -96.5 -3.1 9.9 -5.6 15.9 367 595 A S S < S+ 0 0 13 -3,-2.2 2,-0.4 -4,-0.2 -2,-0.2 0.396 83.1 110.0 -92.0 3.5 6.8 -6.0 14.0 368 596 A V - 0 0 2 -4,-0.2 2,-1.2 -3,-0.2 3,-0.1 -0.640 66.7-142.7 -88.2 128.2 5.9 -8.9 16.2 369 597 A K > - 0 0 115 -2,-0.4 3,-1.2 1,-0.2 7,-0.3 -0.780 19.7-174.8 -82.6 99.1 3.1 -8.8 18.8 370 598 A W T 3 S+ 0 0 10 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.697 73.4 75.2 -74.6 -16.1 4.9 -10.8 21.5 371 599 A G T 3 S+ 0 0 16 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.296 84.7 78.1 -77.1 11.4 1.8 -10.7 23.6 372 600 A Q X> - 0 0 92 -3,-1.2 4,-2.3 1,-0.1 3,-0.7 -0.912 66.5-155.6-129.7 109.7 0.3 -13.3 21.3 373 601 A Q H 3> S+ 0 0 46 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.822 94.7 50.8 -40.4 -50.7 1.2 -17.0 21.6 374 602 A E H 3> S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 110.7 48.7 -68.6 -36.5 0.3 -17.9 18.0 375 603 A I H <> S+ 0 0 25 -3,-0.7 4,-2.9 2,-0.2 3,-0.2 0.956 112.0 48.1 -64.1 -50.3 2.3 -15.1 16.6 376 604 A V H X S+ 0 0 22 -4,-2.3 4,-1.9 -7,-0.3 -2,-0.2 0.875 110.3 54.0 -58.0 -37.7 5.4 -15.9 18.7 377 605 A A H X S+ 0 0 41 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.3 0.863 110.6 44.9 -63.9 -38.9 4.9 -19.5 17.6 378 606 A K H X S+ 0 0 68 -4,-1.7 4,-2.1 -3,-0.2 -2,-0.2 0.850 107.9 58.5 -72.7 -33.7 4.9 -18.4 13.9 379 607 A T H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.867 103.8 52.6 -65.6 -33.0 7.9 -16.2 14.7 380 608 A Y H X S+ 0 0 81 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.841 103.7 54.8 -70.0 -34.0 9.7 -19.4 15.8 381 609 A Q H >X S+ 0 0 114 -4,-1.2 3,-1.1 1,-0.2 4,-0.7 0.930 106.4 55.4 -58.5 -42.0 8.9 -21.1 12.5 382 610 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.874 103.0 53.1 -53.7 -43.5 10.6 -18.0 11.0 383 611 A L H >< S+ 0 0 9 -4,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.650 102.2 60.0 -72.8 -13.6 13.7 -18.6 13.1 384 612 A A H << S+ 0 0 80 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.682 100.6 54.2 -84.6 -19.5 13.9 -22.2 11.7 385 613 A R T << S+ 0 0 143 -3,-0.9 3,-0.4 -4,-0.7 -1,-0.2 -0.284 75.0 126.7-104.1 46.5 14.1 -21.0 8.1 386 614 A R X> + 0 0 47 -3,-0.5 4,-2.0 1,-0.2 3,-0.9 0.333 20.9 120.4 -92.7 4.4 17.1 -18.8 9.0 387 615 A E H 3> S+ 0 0 120 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.778 70.1 53.8 -48.7 -43.9 19.7 -19.9 6.4 388 616 A V H 3> S+ 0 0 53 -3,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.922 113.1 44.2 -61.0 -43.4 20.3 -16.6 4.6 389 617 A W H X4 S+ 0 0 2 -3,-0.9 3,-0.5 -34,-0.2 -2,-0.2 0.975 112.3 52.4 -58.9 -57.9 21.1 -14.9 7.9 390 618 A D H 3< S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 115.9 41.8 -46.0 -34.2 23.3 -17.8 9.1 391 619 A Q H 3< S+ 0 0 159 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.764 91.3 95.9 -92.4 -29.5 25.3 -17.7 5.8 392 620 A S S << S- 0 0 42 -4,-1.8 3,-0.1 -3,-0.5 -3,-0.0 -0.229 87.4 -85.8 -71.0 154.3 25.8 -14.0 5.1 393 621 A A - 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.270 58.4 -89.2 -57.3 139.6 29.0 -12.2 6.2 394 622 A L - 0 0 48 -3,-0.1 2,-0.5 25,-0.1 -1,-0.1 -0.251 39.8-168.6 -52.5 129.5 29.0 -10.9 9.7 395 623 A D > - 0 0 67 1,-0.1 4,-2.8 -3,-0.1 3,-0.4 -0.940 6.8-167.5-121.5 103.4 27.5 -7.4 10.1 396 624 A V H > S+ 0 0 17 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.866 89.0 60.8 -60.9 -37.0 28.3 -6.1 13.6 397 625 A G H > S+ 0 0 1 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.915 110.8 39.1 -52.1 -46.8 25.8 -3.3 13.0 398 626 A L H > S+ 0 0 14 -3,-0.4 4,-1.3 2,-0.2 3,-0.3 0.902 114.7 54.7 -67.4 -43.6 23.1 -5.9 12.5 399 627 A T H X S+ 0 0 1 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.912 106.2 49.7 -63.9 -42.9 24.3 -8.0 15.2 400 628 A M H < S+ 0 0 0 -4,-3.1 3,-0.5 1,-0.2 4,-0.4 0.801 102.5 62.6 -64.5 -30.9 24.3 -5.3 17.9 401 629 A Q H >< S+ 0 0 15 -4,-1.0 3,-1.2 -3,-0.3 5,-0.3 0.901 100.8 50.9 -66.4 -41.4 20.7 -4.2 17.1 402 630 A L H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.704 109.0 55.0 -63.8 -20.0 19.3 -7.6 18.1 403 631 A L T 3< S+ 0 0 0 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.477 89.7 97.8 -94.4 1.4 21.2 -7.2 21.3 404 632 A D S X S- 0 0 16 -3,-1.2 3,-1.3 -4,-0.4 -3,-0.0 -0.054 96.7 -83.6 -81.4-170.7 19.8 -3.8 22.4 405 633 A C T 3 S+ 0 0 13 1,-0.3 -1,-0.1 37,-0.0 -3,-0.1 0.425 116.1 75.5 -77.3 -0.4 16.9 -3.2 24.7 406 634 A N T 3 S+ 0 0 72 -5,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.435 86.0 64.9 -92.7 -2.1 14.3 -3.7 22.0 407 635 A F < + 0 0 8 -3,-1.3 -1,-0.1 1,-0.1 -208,-0.1 -0.944 43.9 161.1-130.1 114.9 14.5 -7.5 21.9 408 636 A S + 0 0 20 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.598 49.5 99.0-103.4 -19.5 13.5 -9.6 24.9 409 637 A D > - 0 0 5 1,-0.2 4,-1.9 -174,-0.0 3,-0.2 -0.591 64.7-150.2 -72.9 129.0 13.0 -13.0 23.2 410 638 A E H > S+ 0 0 74 -2,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.747 92.0 59.9 -80.5 -19.3 16.2 -14.9 23.8 411 639 A N H > S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.868 107.2 47.0 -72.8 -35.2 16.0 -16.9 20.6 412 640 A V H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 3,-0.2 0.938 115.5 45.9 -66.3 -43.7 16.1 -13.7 18.6 413 641 A R H >X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 3,-0.7 0.890 106.6 59.9 -67.8 -36.2 19.0 -12.5 20.7 414 642 A A H 3X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.872 97.6 57.7 -59.0 -38.2 20.8 -15.9 20.4 415 643 A I H 3X S+ 0 0 2 -4,-1.3 4,-1.2 -3,-0.2 -1,-0.2 0.802 105.5 51.2 -69.0 -24.1 21.0 -15.7 16.6 416 644 A A H < S+ 0 0 95 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.920 104.8 51.6 -60.3 -40.7 25.7 -16.9 17.0 419 647 A K H >< S+ 0 0 21 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.830 106.1 54.5 -68.0 -28.0 26.9 -14.3 14.5 420 648 A L H >< S+ 0 0 1 -4,-1.3 3,-2.5 1,-0.2 -1,-0.2 0.762 86.5 78.7 -75.7 -24.4 29.4 -13.0 17.0 421 649 A E T << S+ 0 0 81 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.693 89.3 60.5 -60.4 -16.1 31.1 -16.4 17.6 422 650 A S T < S+ 0 0 82 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.3 0.316 76.8 111.4 -98.7 8.1 32.9 -15.9 14.3 423 651 A L < - 0 0 13 -3,-2.5 2,-0.1 2,-0.0 -3,-0.0 -0.681 68.0-126.8 -76.8 130.9 34.7 -12.7 15.3 424 652 A E >> - 0 0 45 -2,-0.4 4,-1.8 1,-0.1 3,-0.9 -0.390 33.5 -98.4 -67.1 155.4 38.5 -13.1 15.6 425 653 A D H 3> S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 122.1 59.0 -39.4 -55.4 40.0 -11.9 19.0 426 654 A D H 3> S+ 0 0 13 -367,-0.3 4,-1.2 1,-0.3 -1,-0.2 0.884 108.1 45.7 -45.1 -47.5 41.1 -8.5 17.5 427 655 A D H <> S+ 0 0 19 -3,-0.9 4,-1.4 1,-0.2 -1,-0.3 0.847 107.0 58.8 -69.2 -36.0 37.4 -7.7 16.6 428 656 A V H X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.2 3,-0.4 0.919 103.3 52.8 -58.0 -43.4 36.2 -8.9 20.0 429 657 A L H < S+ 0 0 29 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.838 103.8 57.9 -62.7 -34.1 38.4 -6.3 21.7 430 658 A H H < S+ 0 0 34 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.881 121.2 25.0 -62.0 -37.5 36.9 -3.6 19.6 431 659 A Y H X S+ 0 0 26 -4,-1.4 4,-2.6 -3,-0.4 3,-0.5 0.467 92.1 102.2-107.9 1.9 33.4 -4.3 20.8 432 660 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.3 5,-0.3 0.876 79.5 53.4 -56.4 -46.3 34.0 -5.9 24.2 433 661 A L H > S+ 0 0 8 -4,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.909 115.5 40.8 -58.0 -41.6 33.2 -2.8 26.2 434 662 A Q H > S+ 0 0 1 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.783 109.4 57.0 -84.2 -26.7 29.9 -2.6 24.5 435 663 A L H X S+ 0 0 1 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.935 109.4 48.4 -63.0 -44.2 29.0 -6.3 24.5 436 664 A V H >< S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 4,-0.3 0.860 110.7 49.3 -61.0 -38.8 29.5 -6.2 28.3 437 665 A Q H >< S+ 0 0 8 -4,-1.4 3,-1.8 -5,-0.3 4,-0.2 0.875 103.8 62.4 -68.4 -29.9 27.2 -3.1 28.5 438 666 A A H >< S+ 0 0 1 -4,-1.7 3,-1.6 1,-0.3 4,-0.5 0.689 83.8 77.2 -67.4 -15.9 24.8 -5.1 26.3 439 667 A V G X< S+ 0 0 2 -3,-0.8 3,-0.8 -4,-0.5 -1,-0.3 0.772 82.5 67.7 -63.8 -23.1 24.5 -7.7 29.2 440 668 A K G < S+ 0 0 2 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.708 94.6 56.2 -68.2 -21.0 22.3 -5.1 30.9 441 669 A F G < S+ 0 0 13 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.595 81.9 105.8 -87.7 -14.3 19.6 -5.7 28.1 442 670 A E < - 0 0 10 -3,-0.8 -34,-0.1 -4,-0.5 -37,-0.0 -0.503 65.1-146.0 -64.9 129.0 19.4 -9.5 28.7 443 671 A P S S+ 0 0 17 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.878 82.1 48.2 -57.4 -41.6 16.2 -10.6 30.5 444 672 A Y S S- 0 0 9 1,-0.1 -2,-0.1 2,-0.1 -186,-0.0 -0.848 77.8-129.9-114.2 142.6 18.1 -13.4 32.3 445 673 A H S S+ 0 0 15 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47.9-159.0-114.3 142.7 45.5 29.5 5.3 760 998 A S - 0 0 66 -2,-0.4 3,-0.2 4,-0.1 2,-0.0 -0.957 57.3 -48.4-119.9 142.9 44.8 32.8 6.9 761 999 A G S S- 0 0 52 -2,-0.4 2,-0.4 1,-0.2 80,-0.1 -0.080 132.4 -2.9 41.2 -99.9 41.4 34.3 7.8 762 1000 A K S S+ 0 0 129 2,-0.0 -1,-0.2 77,-0.0 2,-0.1 -0.643 111.8 96.0-120.6 73.6 39.5 33.6 4.5 763 1001 A K - 0 0 117 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 -0.168 57.1-130.2-130.4-140.3 42.2 32.1 2.2 764 1002 A T - 0 0 59 -6,-0.3 -4,-0.1 -2,-0.1 -2,-0.0 -0.929 17.5-179.2 179.2 156.9 43.3 28.6 1.1 765 1003 A S > - 0 0 10 -2,-0.3 4,-1.8 -6,-0.1 5,-0.2 -0.965 45.5 -92.4-160.0 171.1 46.4 26.4 0.8 766 1004 A P H > S+ 0 0 105 0, 0.0 4,-0.8 0, 0.0 -8,-0.1 0.826 124.4 46.0 -63.3 -30.9 47.8 23.0 -0.2 767 1005 A H H > S+ 0 0 43 -10,-0.6 4,-3.1 2,-0.2 -9,-0.2 0.863 110.7 51.5 -78.2 -37.6 47.5 21.7 3.4 768 1006 A F H > S+ 0 0 0 -11,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.812 111.3 47.3 -68.8 -32.1 44.0 23.1 3.9 769 1007 A Q H X S+ 0 0 112 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.771 112.1 50.6 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-72.4 -42.2 23.9 1.6 11.2 788 1026 A L H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.970 114.7 42.8 -53.8 -57.0 26.9 0.5 13.3 789 1027 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 -7,-0.3 5,-0.3 0.863 111.3 54.3 -65.3 -36.0 27.5 4.0 14.6 790 1028 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.899 111.8 43.9 -66.8 -35.6 23.8 4.7 15.2 791 1029 A I H X S+ 0 0 5 -4,-2.0 4,-3.1 -3,-0.2 5,-0.3 0.914 115.2 48.7 -74.2 -41.7 23.4 1.5 17.4 792 1030 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.856 112.6 47.6 -63.2 -38.0 26.7 2.1 19.3 793 1031 A F H X S+ 0 0 12 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.902 114.9 47.7 -71.9 -36.1 25.7 5.7 19.9 794 1032 A S H X S+ 0 0 10 -4,-1.7 4,-1.2 -5,-0.3 -2,-0.2 0.908 113.5 45.0 -71.4 -42.9 22.3 4.6 21.1 795 1033 A M H X S+ 0 0 2 -4,-3.1 4,-2.0 2,-0.2 5,-0.3 0.819 111.6 55.9 -69.5 -31.7 23.6 1.9 23.3 796 1034 A M H X>S+ 0 0 2 -4,-1.8 4,-1.8 -5,-0.3 5,-0.8 0.953 107.0 47.6 -62.1 -50.6 26.1 4.3 24.7 797 1035 A L H <5S+ 0 0 9 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.808 115.3 47.3 -63.2 -26.4 23.5 6.8 25.7 798 1036 A M H <5S+ 0 0 21 -4,-1.2 -516,-2.1 1,-0.1 -515,-0.3 0.868 122.3 27.1 -85.5 -37.6 21.4 4.2 27.4 799 1037 A T H <5S+ 0 0 9 -4,-2.0 -2,-0.2 -518,-0.2 -3,-0.1 0.582 129.7 34.4-100.4 -14.1 24.0 2.2 29.5 800 1038 A G T <5S+ 0 0 4 -4,-1.8 -191,-0.3 -5,-0.3 -3,-0.2 0.744 118.0 29.1-122.3 -35.8 26.6 4.9 30.1 801 1039 A M > < - 0 0 2 -5,-0.8 3,-0.9 -4,-0.4 -1,-0.2 -0.691 63.5-172.0-135.5 87.8 25.1 8.4 30.4 802 1040 A P T 3 S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.194 75.8 49.2 -63.8 170.4 21.6 8.7 31.8 803 1041 A Q T 3 S+ 0 0 165 1,-0.1 2,-0.1 -524,-0.0 -6,-0.0 -0.183 102.4 74.5 78.9 -38.9 20.0 12.1 31.8 804 1042 A L S < S+ 0 0 21 -3,-0.9 -3,-0.1 -2,-0.3 3,-0.1 -0.220 78.0 80.2 -95.5 42.1 21.2 12.0 28.2 805 1043 A T >> + 0 0 8 4,-0.1 2,-5.1 1,-0.1 5,-1.0 0.684 38.1 121.4-102.1 -86.0 18.5 9.6 27.1 806 1044 A S T 45S- 0 0 35 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.039 84.0-110.3 59.4 -44.9 15.2 11.4 26.5 807 1045 A K T >5S+ 0 0 89 -2,-5.1 4,-1.7 -3,-0.1 -1,-0.2 -0.518 112.3 76.0 108.8 -55.1 15.1 10.1 22.9 808 1046 A E T 45S+ 0 0 144 1,-0.2 -2,-0.1 2,-0.2 4,-0.1 0.774 97.1 47.4 -60.6 -28.7 15.8 13.6 21.4 809 1047 A D T ><5S+ 0 0 62 -4,-0.9 3,-1.8 1,-0.2 4,-0.3 0.905 107.5 56.7 -73.6 -43.7 19.4 13.3 22.5 810 1048 A I T >4X S+ 0 0 50 -4,-1.7 4,-1.0 1,-0.2 3,-0.8 0.411 77.9 93.9 -89.9 3.2 18.6 11.1 17.6 812 1050 A Y H <> S+ 0 0 77 -3,-1.8 4,-1.9 1,-0.2 3,-0.3 0.876 79.6 60.6 -55.7 -37.9 21.2 13.8 17.2 813 1051 A I H <> S+ 0 0 2 -3,-0.6 4,-2.7 -4,-0.3 -1,-0.2 0.723 93.1 61.2 -74.2 -22.4 23.5 11.3 15.3 814 1052 A R H <>>S+ 0 0 46 -3,-0.8 5,-1.7 2,-0.2 4,-0.8 0.946 107.6 46.6 -66.6 -47.0 21.1 10.7 12.4 815 1053 A D H ><5S+ 0 0 114 -4,-1.0 3,-0.6 -3,-0.3 -2,-0.2 0.941 113.8 49.1 -53.1 -50.6 21.3 14.4 11.6 816 1054 A A H 3<5S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.900 114.0 43.1 -60.5 -44.1 25.1 14.3 11.9 817 1055 A L H 3<5S- 0 0 0 -4,-2.7 -1,-0.3 -107,-0.1 -2,-0.2 0.498 105.9-134.9 -85.6 -5.4 25.5 11.2 9.7 818 1056 A T T <<5 - 0 0 15 -4,-0.8 3,-0.4 -3,-0.6 -3,-0.2 0.911 24.5-157.3 58.6 51.3 23.0 12.8 7.4 819 1057 A V S > - 0 0 89 -3,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.618 32.2 -95.5 -98.7 162.5 23.4 10.9 -0.9 823 1061 A E H 3> S+ 0 0 86 1,-0.3 4,-3.9 2,-0.2 3,-0.4 0.850 122.0 50.7 -50.0 -48.9 27.1 11.2 -0.9 824 1062 A E H 3> S+ 0 0 126 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.914 112.2 47.4 -58.5 -45.0 27.4 14.4 -2.9 825 1063 A D H <> S+ 0 0 83 -3,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.805 116.3 47.1 -60.1 -29.8 24.8 16.2 -0.7 826 1064 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.4 -2,-0.2 0.903 107.2 53.3 -83.5 -44.1 26.8 14.8 2.3 827 1065 A K H X S+ 0 0 82 -4,-3.9 4,-1.9 1,-0.2 3,-0.2 0.945 112.1 47.1 -50.6 -52.1 30.2 15.8 1.0 828 1066 A K H X S+ 0 0 137 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.897 107.3 58.9 -56.7 -41.9 28.9 19.4 0.6 829 1067 A Y H X S+ 0 0 71 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.874 106.3 44.7 -62.6 -41.5 27.3 19.3 4.0 830 1068 A F H >X S+ 0 0 0 -4,-2.0 4,-2.3 -3,-0.2 3,-1.3 0.966 109.4 55.2 -67.9 -50.4 30.6 18.6 5.9 831 1069 A L H 3X S+ 0 0 44 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.829 105.8 54.5 -49.8 -34.1 32.5 21.3 4.0 832 1070 A D H 3X S+ 0 0 77 -4,-1.8 4,-0.8 2,-0.2 -1,-0.3 0.832 105.1 52.9 -69.8 -32.2 29.8 23.7 5.0 833 1071 A Q H XX S+ 0 0 33 -3,-1.3 4,-1.3 -4,-1.1 3,-1.2 0.943 106.6 51.7 -65.3 -48.6 30.4 22.8 8.7 834 1072 A I H >X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.3 3,-0.8 0.917 108.1 54.3 -50.0 -44.6 34.1 23.5 8.2 835 1073 A E H 3X S+ 0 0 54 -4,-1.8 4,-0.8 1,-0.3 -1,-0.3 0.665 100.2 57.2 -70.6 -18.6 33.0 26.8 6.8 836 1074 A V H < S+ 0 0 50 -4,-1.1 3,-3.3 -3,-0.3 -1,-0.2 0.568 76.2 171.7 -91.1 -8.0 33.4 32.3 14.1 841 1079 A G T 3< S- 0 0 23 -4,-1.0 4,-0.3 1,-0.3 -1,-0.2 -0.099 74.0 -8.3 44.7-104.1 37.2 32.3 14.6 842 1080 A W T 3> S+ 0 0 44 1,-0.1 4,-2.9 2,-0.1 -1,-0.3 0.341 107.0 103.6-107.5 2.3 37.7 32.9 18.3 843 1081 A T H <> S+ 0 0 53 -3,-3.3 4,-2.3 2,-0.2 -2,-0.1 0.953 88.5 31.0 -50.9 -68.4 34.1 33.7 19.2 844 1082 A V H > S+ 0 0 14 1,-0.2 4,-4.2 2,-0.2 5,-0.4 0.924 118.6 55.5 -60.9 -48.6 33.0 30.5 20.9 845 1083 A Q H > S+ 0 0 10 -4,-0.3 4,-1.2 1,-0.3 -1,-0.2 0.893 111.2 45.8 -51.2 -42.3 36.5 29.8 22.2 846 1084 A F H X S+ 0 0 85 -4,-2.9 4,-1.9 2,-0.2 -1,-0.3 0.853 112.4 50.8 -70.4 -35.7 36.4 33.2 23.8 847 1085 A N H X S+ 0 0 70 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.955 108.6 50.5 -63.3 -51.2 32.9 32.5 25.1 848 1086 A W H X S+ 0 0 40 -4,-4.2 4,-2.3 1,-0.2 -1,-0.2 0.821 109.6 55.1 -54.0 -30.7 34.1 29.2 26.6 849 1087 A F H X S+ 0 0 42 -4,-1.2 4,-0.8 -5,-0.4 5,-0.3 0.912 109.1 43.6 -69.6 -43.5 36.8 31.4 28.1 850 1088 A L H X S+ 0 0 68 -4,-1.9 4,-1.1 -3,-0.2 -2,-0.2 0.902 122.2 39.2 -67.7 -41.8 34.4 33.8 29.8 851 1089 A H H X S+ 0 0 117 -4,-2.6 4,-1.4 4,-0.3 -2,-0.2 0.936 120.0 40.7 -74.3 -50.6 32.1 31.0 31.1 852 1090 A L H < S+ 0 0 70 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.465 129.9 27.3 -88.6 -1.7 34.6 28.3 32.1 853 1091 A V H < S+ 0 0 91 -4,-0.8 -1,-0.2 -5,-0.1 -3,-0.2 0.514 138.3 21.4-128.8 -20.2 37.1 30.6 33.7 854 1092 A L H < 0 0 120 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.2 0.234 360.0 360.0-134.3 9.3 35.0 33.6 34.8 855 1093 A G < 0 0 84 -4,-1.4 -4,-0.3 -6,-0.2 -3,-0.2 0.967 360.0 360.0 83.5 360.0 31.5 32.1 35.0