==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-NOV-10 3PRZ . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.KNIGHTON,S.E.GREASLEY,C.M.-L.RODGERS . 843 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 575 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 13.3 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 . 6 0.7 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 . 53 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 2 3 2 0 4 1 3 2 1 1 1 0 1 2 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 3 6 2 3 3 2 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 . 2 1 1 2 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 96 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.4 37.6 -27.6 51.9 2 145 A E > + 0 0 134 1,-0.2 3,-1.4 2,-0.2 5,-0.2 0.830 360.0 61.0 -63.9 -30.6 39.1 -24.7 54.0 3 146 A E G >> S+ 0 0 126 1,-0.3 4,-1.5 2,-0.2 3,-1.2 0.974 110.7 37.8 -58.5 -54.3 41.3 -24.0 50.9 4 147 A S G 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 -0.026 110.6 62.2 -89.5 31.1 38.2 -23.4 48.8 5 148 A Q G <4 S+ 0 0 123 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.085 110.3 39.4-131.8 10.1 36.5 -21.6 51.8 6 149 A A T <> S+ 0 0 29 -3,-1.2 4,-1.4 -5,-0.1 3,-0.4 0.467 105.8 66.0-125.1 -33.1 39.3 -19.0 51.7 7 150 A F H X S+ 0 0 20 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.850 97.4 56.3 -57.5 -41.0 39.3 -18.9 47.8 8 151 A Q H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.813 103.8 52.1 -64.0 -33.9 35.7 -17.5 48.1 9 152 A R H > S+ 0 0 158 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.847 110.2 50.7 -69.4 -34.1 37.1 -14.6 50.2 10 153 A Q H >X S+ 0 0 71 -4,-1.4 4,-1.9 2,-0.2 3,-0.7 0.982 110.4 46.2 -63.1 -60.7 39.7 -14.0 47.5 11 154 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 6,-0.2 0.853 110.7 57.5 -48.1 -42.4 37.1 -13.9 44.6 12 155 A T H 3X S+ 0 0 36 -4,-1.8 4,-1.9 1,-0.2 5,-0.5 0.841 110.0 39.8 -60.0 -45.2 35.0 -11.6 46.9 13 156 A A H << S+ 0 0 67 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.727 116.6 53.6 -78.8 -20.6 37.8 -8.9 47.3 14 157 A L H < S+ 0 0 4 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.789 114.2 40.3 -77.5 -35.0 38.6 -9.4 43.5 15 158 A I H < S- 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.827 99.5-133.7 -80.8 -41.3 35.0 -8.8 42.4 16 159 A G S < S+ 0 0 51 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.1 0.421 82.3 64.3 93.6 3.2 34.3 -5.9 44.9 17 160 A Y S S- 0 0 48 -5,-0.5 2,-0.9 -6,-0.2 -2,-0.2 -0.975 87.7-111.5-154.1 143.9 30.9 -7.6 45.9 18 161 A D > - 0 0 57 -2,-0.3 3,-0.6 1,-0.2 -9,-0.0 -0.734 24.3-173.7 -88.8 104.6 30.0 -10.8 47.6 19 162 A V T 3 S+ 0 0 12 -2,-0.9 -1,-0.2 1,-0.2 467,-0.1 0.806 82.1 58.6 -57.2 -45.5 28.2 -13.3 45.2 20 163 A T T 3 S+ 0 0 60 -12,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.767 80.2 105.3 -62.9 -29.6 27.4 -15.9 48.0 21 164 A D < - 0 0 70 -3,-0.6 3,-0.0 1,-0.1 -4,-0.0 -0.233 48.2-175.9 -50.8 137.1 25.3 -13.3 49.9 22 165 A V > + 0 0 87 1,-0.1 3,-0.7 3,-0.0 -1,-0.1 0.076 50.4 104.9-127.4 21.4 21.6 -14.1 49.4 23 166 A S T 3 S+ 0 0 91 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.860 81.9 44.4 -74.4 -35.1 20.0 -11.1 51.3 24 167 A N T 3 S+ 0 0 13 265,-0.0 265,-0.5 2,-0.0 2,-0.4 -0.001 95.3 95.0-100.9 30.7 18.9 -9.0 48.2 25 168 A V < - 0 0 43 -3,-0.7 263,-0.1 263,-0.1 3,-0.0 -0.935 48.1-170.2-121.3 141.5 17.5 -11.9 46.1 26 169 A H S S+ 0 0 57 -2,-0.4 2,-0.2 243,-0.0 -1,-0.1 0.194 77.7 14.5-109.7 9.3 13.8 -13.1 46.0 27 170 A D S S- 0 0 39 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.890 85.6 -94.2-161.9-172.6 14.5 -16.3 44.0 28 171 A D S > S+ 0 0 55 -2,-0.2 4,-1.9 1,-0.2 5,-0.0 -0.147 77.3 116.0-113.1 40.5 17.3 -18.6 43.0 29 172 A E H > S+ 0 0 5 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.866 79.2 47.7 -74.0 -36.6 18.2 -17.2 39.5 30 173 A L H > S+ 0 0 24 -3,-0.2 4,-2.9 2,-0.2 3,-0.2 0.954 114.0 45.4 -68.9 -47.5 21.7 -16.1 40.6 31 174 A E H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 113.9 53.1 -57.3 -43.8 22.5 -19.5 42.2 32 175 A F H X S+ 0 0 69 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.836 111.9 43.0 -58.3 -41.9 21.0 -21.0 39.1 33 176 A T H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.875 111.9 53.1 -75.9 -37.8 23.3 -18.9 36.8 34 177 A R H X S+ 0 0 36 -4,-2.9 4,-0.5 2,-0.2 3,-0.5 0.976 118.0 37.7 -57.5 -52.7 26.4 -19.6 38.9 35 178 A R H >< S+ 0 0 158 -4,-2.8 3,-1.3 1,-0.2 4,-0.5 0.890 113.7 59.1 -59.7 -45.3 25.7 -23.3 38.7 36 179 A G H 3< S+ 0 0 18 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.801 103.3 51.6 -54.2 -36.3 24.6 -22.7 35.0 37 180 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.0 -3,-0.5 -1,-0.2 0.583 84.2 86.1 -81.4 -14.1 28.0 -21.3 34.1 38 181 A V H S+ 0 0 106 -4,-0.5 4,-3.1 -3,-0.4 5,-0.2 0.968 112.2 45.0 -64.6 -59.3 29.8 -26.2 32.2 40 183 A P H > S+ 0 0 14 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.809 116.7 48.9 -58.0 -30.3 30.7 -23.4 29.7 41 184 A R H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 3,-0.3 0.976 115.2 40.8 -68.3 -58.3 33.7 -22.4 31.9 42 185 A M H X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.867 113.4 56.0 -59.4 -38.4 35.1 -26.0 32.3 43 186 A A H X S+ 0 0 60 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.873 111.6 43.9 -59.5 -40.9 34.3 -26.7 28.5 44 187 A E H X S+ 0 0 15 -4,-1.4 4,-1.1 -3,-0.3 -2,-0.2 0.867 112.5 49.2 -72.2 -45.3 36.5 -23.6 27.6 45 188 A V H >< S+ 0 0 38 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.961 113.7 47.0 -58.6 -54.1 39.5 -24.3 30.0 46 189 A A H 3< S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.714 112.8 53.8 -59.8 -24.3 39.7 -27.9 28.8 47 190 A S H 3< S+ 0 0 92 -4,-0.6 -1,-0.2 -5,-0.2 2,-0.2 0.690 86.8 92.3 -87.3 -24.1 39.4 -26.6 25.2 48 191 A R S << S- 0 0 28 -4,-1.1 411,-0.0 -3,-1.0 410,-0.0 -0.565 80.3-119.3 -79.9 135.9 42.3 -24.0 25.2 49 192 A D > - 0 0 90 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 -0.645 25.8-141.2 -66.3 119.4 45.9 -25.0 24.0 50 193 A P H > S+ 0 0 71 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.828 95.0 50.2 -58.5 -33.3 47.8 -24.3 27.3 51 194 A K H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.971 112.2 42.9 -67.4 -58.5 50.9 -22.9 25.4 52 195 A L H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.748 116.0 51.9 -59.4 -28.2 49.1 -20.4 23.1 53 196 A Y H < S+ 0 0 5 -4,-1.6 407,-0.4 2,-0.2 -1,-0.2 0.858 107.7 51.5 -73.4 -39.8 47.0 -19.4 26.1 54 197 A A H < S+ 0 0 6 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.812 121.1 32.7 -64.8 -36.5 50.1 -18.8 28.2 55 198 A M H < S- 0 0 15 -4,-1.7 67,-0.7 98,-0.1 -2,-0.2 0.648 86.7-159.8 -97.9 -17.6 51.7 -16.5 25.5 56 199 A H < - 0 0 32 -4,-1.6 66,-0.2 -5,-0.2 -3,-0.1 0.866 14.0-146.5 39.8 58.8 48.4 -14.9 24.2 57 200 A P - 0 0 25 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.274 8.0-133.2 -54.3 136.8 49.8 -13.8 20.7 58 201 A W + 0 0 64 64,-0.3 75,-2.0 403,-0.0 76,-0.4 -0.891 44.9 164.9 -98.0 100.9 48.1 -10.5 19.7 59 202 A V B -A 132 0A 39 -2,-0.9 366,-0.3 73,-0.2 2,-0.3 -0.714 29.8-158.9-118.9 163.8 47.2 -11.3 16.1 60 203 A T - 0 0 1 71,-1.2 -2,-0.0 -2,-0.2 364,-0.0 -0.969 14.9-160.1-147.2 130.1 45.0 -10.1 13.2 61 204 A S + 0 0 93 -2,-0.3 3,-0.1 2,-0.0 70,-0.0 0.295 63.7 116.4 -89.8 9.4 43.8 -11.9 10.1 62 205 A K S S- 0 0 55 69,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.441 77.4 -98.7 -76.8 147.9 43.2 -8.4 8.6 63 206 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.381 42.7-100.4 -65.4 148.1 45.2 -7.4 5.5 64 207 A L - 0 0 9 1,-0.1 5,-0.1 -3,-0.1 67,-0.1 -0.571 48.3-118.5 -67.1 122.1 48.2 -5.2 6.1 65 208 A P > - 0 0 9 0, 0.0 4,-1.1 0, 0.0 3,-0.5 -0.054 14.7-113.9 -59.5 169.0 47.0 -1.6 5.3 66 209 A E H >> S+ 0 0 112 556,-0.2 4,-3.8 1,-0.2 3,-0.7 0.936 111.5 64.2 -69.0 -48.7 48.5 0.5 2.5 67 210 A Y H 34 S+ 0 0 23 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.625 110.2 41.1 -52.1 -15.4 50.0 3.2 4.9 68 211 A L H 34 S+ 0 0 5 -3,-0.5 -1,-0.3 2,-0.1 3,-0.2 0.707 116.5 46.8-102.7 -29.1 52.2 0.4 6.3 69 212 A W H X< S+ 0 0 78 -4,-1.1 3,-1.5 -3,-0.7 -2,-0.2 0.924 110.4 52.9 -74.7 -46.3 53.0 -1.3 2.9 70 213 A K T 3< S+ 0 0 147 -4,-3.8 -1,-0.2 1,-0.3 -3,-0.2 0.442 105.5 59.4 -67.2 -1.1 53.8 2.2 1.4 71 214 A K T 3 S+ 0 0 110 -5,-0.3 2,-0.4 -3,-0.2 -1,-0.3 -0.104 85.4 104.2-117.2 28.5 56.2 2.5 4.4 72 215 A I < - 0 0 35 -3,-1.5 5,-0.1 1,-0.2 3,-0.1 -0.934 61.9-148.5-115.3 135.4 58.3 -0.6 3.5 73 216 A A S S- 0 0 85 3,-0.5 -1,-0.2 -2,-0.4 4,-0.1 0.988 79.9 -33.9 -63.0 -62.1 61.8 -0.4 1.9 74 217 A N S S- 0 0 119 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 -0.478 101.1 -57.6-169.0 84.8 61.6 -3.6 -0.2 75 218 A N S S+ 0 0 98 1,-0.1 2,-0.4 -6,-0.1 20,-0.1 0.830 109.5 118.3 41.9 36.8 59.5 -6.7 1.0 76 219 A C - 0 0 22 17,-0.2 -3,-0.5 18,-0.1 2,-0.4 -0.953 43.5-177.8-141.4 114.3 62.0 -6.5 4.0 77 220 A I E -B 92 0B 9 15,-4.0 15,-1.7 -2,-0.4 2,-0.5 -0.920 21.1-137.1-110.2 138.6 61.2 -5.8 7.7 78 221 A F E -B 91 0B 98 -2,-0.4 67,-0.8 13,-0.2 2,-0.3 -0.852 19.1-177.0-103.5 131.5 64.0 -5.5 10.2 79 222 A I E -Bc 90 145B 12 11,-1.0 11,-1.6 -2,-0.5 2,-0.5 -0.868 17.0-145.2-119.4 151.4 63.9 -7.1 13.7 80 223 A V E -Bc 89 146B 17 65,-2.6 67,-3.1 -2,-0.3 2,-0.5 -0.987 13.9-156.2-122.2 111.6 66.5 -6.7 16.5 81 224 A I E - c 0 147B 5 7,-2.5 2,-0.3 -2,-0.5 67,-0.2 -0.838 12.2-156.0 -95.0 124.0 67.0 -9.9 18.6 82 225 A H E + c 0 148B 39 65,-3.0 67,-1.7 -2,-0.5 2,-0.2 -0.772 23.9 153.8-108.0 148.3 68.5 -9.3 22.1 83 226 A R S S- 0 0 141 3,-0.6 2,-1.8 -2,-0.3 3,-0.2 -0.872 75.4 -19.0-167.5 136.9 70.4 -11.5 24.6 84 227 A S S S- 0 0 116 1,-0.3 -2,-0.1 -2,-0.2 3,-0.0 -0.436 125.1 -54.8 59.8 -80.1 72.9 -10.6 27.4 85 228 A T S S+ 0 0 119 -2,-1.8 -1,-0.3 2,-0.1 2,-0.1 0.214 109.9 122.0-148.1 -37.5 73.4 -7.1 25.8 86 229 A T - 0 0 94 -3,-0.2 -3,-0.6 -4,-0.1 0, 0.0 -0.123 45.7-165.2 -41.9 101.0 74.4 -8.5 22.3 87 230 A S - 0 0 71 -5,-0.2 2,-0.2 -2,-0.1 -5,-0.1 0.070 6.1-173.1 -73.7-168.1 71.9 -7.1 19.8 88 231 A Q - 0 0 101 2,-0.0 -7,-2.5 -6,-0.0 2,-0.4 -0.550 14.8-141.3 168.0 128.7 71.6 -8.6 16.2 89 232 A T E -B 80 0B 79 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.879 15.8-164.1-107.4 133.2 69.6 -7.5 13.1 90 233 A I E -B 79 0B 19 -11,-1.6 -11,-1.0 -2,-0.4 2,-0.7 -0.899 23.5-125.1-117.2 145.5 67.9 -10.0 10.7 91 234 A K E +B 78 0B 173 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.814 43.0 177.1 -85.7 108.8 66.5 -9.6 7.1 92 235 A V E -B 77 0B 3 -15,-1.7 -15,-4.0 -2,-0.7 9,-0.0 -0.977 25.4-140.5-124.4 134.6 62.9 -10.7 7.4 93 236 A S > - 0 0 28 -2,-0.4 3,-3.3 -17,-0.2 36,-0.2 -0.753 28.9-116.2 -91.4 138.6 60.0 -10.8 4.8 94 237 A P T 3 S+ 0 0 0 0, 0.0 36,-2.0 0, 0.0 37,-0.3 0.786 116.3 55.6 -38.3 -40.6 56.5 -9.7 6.0 95 238 A D T 3 S+ 0 0 101 33,-0.2 2,-0.3 34,-0.2 -20,-0.0 0.442 81.4 123.4 -75.8 -3.1 55.2 -13.3 5.3 96 239 A D < - 0 0 51 -3,-3.3 33,-2.0 32,-0.1 34,-0.1 -0.471 59.4-134.7 -67.7 122.8 57.9 -14.9 7.6 97 240 A T > - 0 0 39 -2,-0.3 4,-1.1 31,-0.2 3,-0.3 -0.447 14.2-125.8 -70.7 150.4 56.5 -17.1 10.4 98 241 A P T 4 S+ 0 0 6 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.652 112.3 57.7 -74.2 -14.4 58.0 -16.5 13.9 99 242 A G T > S+ 0 0 39 26,-0.3 4,-0.7 2,-0.2 3,-0.4 0.833 110.3 42.8 -77.0 -36.1 58.8 -20.2 14.1 100 243 A A T 4 S+ 0 0 47 -3,-0.3 -1,-0.2 2,-0.2 5,-0.0 0.634 99.8 71.3 -81.7 -20.8 60.9 -19.9 10.9 101 244 A I T < S+ 0 0 2 -4,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.672 102.4 46.6 -70.2 -13.5 62.4 -16.6 12.2 102 245 A L T >> S+ 0 0 19 -3,-0.4 4,-2.0 -4,-0.2 3,-1.6 0.807 102.2 59.8 -94.6 -31.8 64.3 -18.9 14.6 103 246 A Q T 3< S+ 0 0 135 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.175 103.1 58.2 -78.0 15.4 65.3 -21.4 11.8 104 247 A S T 34 S+ 0 0 28 -3,-0.2 -1,-0.3 3,-0.1 -2,-0.1 -0.111 115.3 32.3-131.1 25.3 67.0 -18.2 10.5 105 248 A F T <4 S+ 0 0 39 -3,-1.6 -2,-0.2 4,-0.1 -3,-0.1 0.359 115.7 52.0-155.5 -25.5 69.1 -17.8 13.7 106 249 A F S < S+ 0 0 79 -4,-2.0 -3,-0.2 2,-0.1 -4,-0.1 0.445 136.6 11.2 -96.5 -9.7 69.7 -21.5 14.9 107 250 A T S S+ 0 0 110 -5,-0.3 -3,-0.1 0, 0.0 -4,-0.1 0.496 119.5 67.3-135.0 -44.9 71.0 -22.2 11.4 108 251 A K 0 0 157 -6,-0.2 -4,-0.1 1,-0.1 -2,-0.1 0.205 360.0 360.0 -73.4 19.0 71.4 -18.8 9.7 109 252 A M 0 0 149 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.792 360.0 360.0-178.8 360.0 74.2 -18.1 12.3 110 ! 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 0.0 111 269 A D 0 0 158 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.5 63.3 -24.6 21.7 112 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< S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.863 85.8 100.9 -68.0 -43.1 16.6 0.6 3.7 332 561 A T S < S- 0 0 35 -4,-1.3 -3,-0.0 -3,-0.3 484,-0.0 0.070 81.3 -97.3 -46.3 148.3 15.7 3.0 6.5 333 562 A D > - 0 0 7 1,-0.1 3,-1.2 4,-0.0 -1,-0.1 -0.207 35.9-100.0 -69.4 164.8 18.2 3.5 9.5 334 563 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.802 121.2 49.6 -55.4 -33.1 17.9 1.7 12.9 335 564 A L T 3 S+ 0 0 19 472,-0.1 473,-0.1 2,-0.1 -3,-0.0 0.612 81.1 109.5 -82.9 -15.1 16.3 4.8 14.6 336 565 A N S < S- 0 0 49 -3,-1.2 -4,-0.0 1,-0.1 2,-0.0 -0.462 73.0-119.7 -66.1 124.9 13.6 5.4 11.9 337 566 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.256 13.8-131.4 -69.2 153.7 10.2 4.5 13.4 338 567 A L - 0 0 33 27,-0.0 2,-0.1 4,-0.0 -9,-0.0 -0.926 15.3-150.0-107.3 122.6 7.8 1.9 12.2 339 568 A T > - 0 0 76 -2,-0.5 4,-2.1 1,-0.1 3,-0.3 -0.471 34.6-104.6 -78.7 161.0 4.1 2.8 11.7 340 569 A A H > S+ 0 0 61 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.897 124.9 57.4 -50.6 -44.6 1.5 0.1 12.1 341 570 A E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 108.0 45.7 -51.7 -50.4 1.2 0.1 8.3 342 571 A D H > S+ 0 0 26 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.867 115.2 48.0 -59.2 -46.4 5.0 -0.7 8.0 343 572 A K H X S+ 0 0 75 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 111.3 47.6 -62.4 -52.1 4.7 -3.4 10.7 344 573 A E H X S+ 0 0 141 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.845 114.7 50.2 -59.5 -34.1 1.6 -5.1 9.2 345 574 A L H X S+ 0 0 12 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.962 110.6 46.5 -65.8 -58.1 3.5 -5.0 5.8 346 575 A L H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 -2,-0.2 0.864 117.2 46.8 -50.4 -45.9 6.8 -6.5 7.2 347 576 A W H >< S+ 0 0 41 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.905 109.5 48.9 -66.5 -53.1 4.7 -9.3 8.9 348 577 A H H 3< S+ 0 0 132 -4,-2.3 2,-0.4 1,-0.3 3,-0.3 0.938 120.0 40.2 -56.7 -44.0 2.4 -10.3 6.0 349 578 A F T 3X S+ 0 0 30 -4,-2.3 4,-1.2 1,-0.2 -1,-0.3 -0.298 79.2 134.5 -97.5 47.1 5.5 -10.5 3.8 350 579 A R H <> + 0 0 36 -3,-1.4 4,-0.9 -2,-0.4 -1,-0.2 0.852 68.2 51.2 -64.4 -39.7 7.7 -12.2 6.5 351 580 A Y H 4 S+ 0 0 52 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.813 113.6 45.4 -69.3 -30.7 9.2 -14.9 4.2 352 581 A E H 4 S+ 0 0 30 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.719 110.7 54.9 -80.4 -24.2 10.2 -12.3 1.7 353 582 A S H >< S+ 0 0 0 -4,-1.2 3,-0.8 -7,-0.3 6,-0.3 0.678 98.1 65.7 -78.9 -20.7 11.5 -10.2 4.6 354 583 A L T 3< S+ 0 0 11 -4,-0.9 34,-0.2 1,-0.2 -1,-0.2 0.690 86.2 67.3 -75.1 -23.1 13.7 -13.2 5.6 355 584 A K T 3 S+ 0 0 111 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.485 94.7 67.8 -76.3 -3.6 15.9 -13.1 2.5 356 585 A H X> - 0 0 75 -3,-0.8 3,-3.2 1,-0.1 4,-0.6 -0.845 63.1-168.0-121.0 93.1 17.3 -9.8 3.7 357 586 A P G >4 S+ 0 0 24 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.841 91.3 65.1 -43.7 -38.4 19.4 -10.0 7.0 358 587 A K G 34 S+ 0 0 119 1,-0.3 4,-0.3 2,-0.1 -5,-0.0 0.608 97.7 55.6 -56.5 -21.7 19.1 -6.2 7.1 359 588 A A G <> S+ 0 0 0 -3,-3.2 4,-3.2 -6,-0.3 -1,-0.3 0.646 80.5 91.5 -87.8 -23.3 15.3 -6.6 7.7 360 589 A Y H S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.942 119.1 40.8 -58.4 -47.9 15.5 -6.1 13.5 362 591 A K H > S+ 0 0 13 -4,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.884 116.8 48.5 -65.5 -41.4 12.5 -4.4 11.8 363 592 A L H < S+ 0 0 0 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.918 114.6 45.9 -63.2 -46.4 10.8 -7.8 11.0 364 593 A F H >< S+ 0 0 0 -4,-3.3 3,-0.6 -5,-0.2 -2,-0.2 0.728 110.8 54.1 -70.2 -21.8 11.3 -8.9 14.7 365 594 A S H 3< S+ 0 0 30 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.728 99.6 62.0 -80.5 -26.3 10.1 -5.5 15.9 366 595 A S T 3< S+ 0 0 11 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.2 0.271 83.8 114.0 -82.0 8.8 6.8 -5.9 13.9 367 596 A V < - 0 0 2 -3,-0.6 2,-1.1 -5,-0.1 3,-0.1 -0.679 67.9-138.4 -89.2 134.6 6.0 -9.0 16.0 368 597 A K > - 0 0 122 -2,-0.3 3,-0.8 1,-0.2 7,-0.3 -0.835 25.9-179.5 -88.0 91.4 3.0 -9.1 18.4 369 598 A W T 3 S+ 0 0 8 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.735 72.4 70.2 -70.8 -22.7 5.0 -10.8 21.2 370 599 A G T 3 S+ 0 0 16 -3,-0.1 2,-0.4 -137,-0.1 -141,-0.2 0.140 86.1 82.4 -79.8 18.1 1.8 -10.8 23.4 371 600 A Q <> - 0 0 90 -3,-0.8 4,-2.2 1,-0.1 3,-0.4 -0.927 65.3-156.6-132.5 107.3 0.3 -13.4 21.1 372 601 A Q H > S+ 0 0 43 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.839 96.4 49.2 -39.5 -55.5 1.1 -17.1 21.6 373 602 A E H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 111.7 48.4 -58.6 -44.4 0.2 -18.0 17.9 374 603 A I H > S+ 0 0 21 -3,-0.4 4,-2.2 2,-0.2 3,-0.4 0.956 112.1 47.3 -61.4 -54.7 2.3 -15.1 16.5 375 604 A V H X S+ 0 0 18 -4,-2.2 4,-2.1 -7,-0.3 -2,-0.2 0.882 110.5 55.5 -50.9 -46.2 5.4 -16.0 18.6 376 605 A A H X S+ 0 0 41 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.868 110.2 43.9 -55.9 -43.3 4.9 -19.6 17.5 377 606 A K H X S+ 0 0 63 -4,-1.7 4,-2.6 -3,-0.4 -1,-0.2 0.805 108.5 57.3 -72.8 -35.0 5.0 -18.6 13.8 378 607 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.879 107.4 49.5 -62.5 -36.0 8.0 -16.3 14.4 379 608 A Y H X S+ 0 0 84 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.904 106.4 54.0 -70.1 -35.6 9.7 -19.5 15.7 380 609 A Q H >< S+ 0 0 111 -4,-1.5 3,-1.1 1,-0.2 4,-0.5 0.950 109.9 49.5 -56.6 -48.9 8.5 -21.2 12.4 381 610 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.815 103.6 59.5 -54.2 -45.5 10.3 -18.2 10.7 382 611 A L H >< S+ 0 0 10 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.709 96.3 60.4 -61.1 -25.5 13.5 -18.8 12.8 383 612 A A T << S+ 0 0 81 -3,-1.1 -1,-0.2 -4,-1.1 3,-0.2 0.691 99.0 59.6 -74.3 -19.8 13.9 -22.4 11.5 384 613 A R T < + 0 0 148 -3,-1.2 3,-0.3 -4,-0.5 -1,-0.2 -0.331 68.5 127.0-103.9 48.3 14.2 -20.9 7.9 385 614 A R X> + 0 0 62 -3,-0.6 4,-2.0 1,-0.2 3,-0.9 0.379 22.0 121.5 -87.8 -1.9 17.3 -18.8 8.9 386 615 A E H 3> S+ 0 0 109 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.741 74.6 49.1 -31.6 -55.2 19.7 -20.0 6.0 387 616 A V H 3> S+ 0 0 59 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.883 114.0 45.5 -56.1 -49.2 20.3 -16.4 4.5 388 617 A W H <4 S+ 0 0 4 -3,-0.9 -2,-0.2 -34,-0.2 -1,-0.2 0.972 115.8 47.4 -57.9 -55.4 21.1 -14.9 7.9 389 618 A D H < S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.787 118.4 41.3 -53.9 -40.3 23.4 -17.9 8.8 390 619 A Q H < S+ 0 0 160 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.839 94.0 95.8 -79.8 -41.0 25.2 -17.8 5.4 391 620 A S S < S- 0 0 39 -4,-2.8 2,-0.1 -5,-0.2 3,-0.1 -0.039 89.5 -89.0 -52.5 153.5 25.6 -14.0 5.0 392 621 A A - 0 0 93 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.439 56.5 -95.2 -65.1 136.0 28.9 -12.2 6.0 393 622 A L - 0 0 49 -3,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.335 37.9-164.1 -57.8 132.8 28.7 -11.2 9.6 394 623 A D > - 0 0 79 1,-0.1 4,-2.6 -3,-0.1 5,-0.1 -0.947 7.2-164.8-125.9 104.6 27.6 -7.5 10.2 395 624 A V H > S+ 0 0 16 -2,-0.5 4,-3.7 2,-0.2 5,-0.2 0.884 90.0 53.5 -55.3 -45.8 28.4 -6.2 13.7 396 625 A G H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 114.3 42.2 -55.0 -47.5 26.0 -3.2 13.3 397 626 A L H > S+ 0 0 18 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.876 115.9 50.3 -64.5 -44.0 23.1 -5.5 12.4 398 627 A T H >< S+ 0 0 1 -4,-2.6 3,-0.7 1,-0.2 4,-0.5 0.927 106.8 53.1 -62.2 -49.1 24.3 -8.0 15.1 399 628 A M H >< S+ 0 0 0 -4,-3.7 3,-1.5 1,-0.2 -2,-0.2 0.864 101.2 64.9 -54.0 -40.6 24.4 -5.2 17.9 400 629 A Q H >< S+ 0 0 17 -4,-1.6 3,-1.2 1,-0.3 5,-0.3 0.821 98.6 48.9 -51.1 -46.8 20.7 -4.3 16.9 401 630 A L T << S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.557 109.1 56.6 -74.1 -9.6 19.2 -7.6 18.0 402 631 A L T < S+ 0 0 0 -3,-1.5 38,-0.2 -4,-0.5 -1,-0.2 0.298 90.1 98.3-102.2 4.3 21.1 -7.3 21.4 403 632 A D S X S- 0 0 8 -3,-1.2 3,-1.4 -4,-0.2 9,-0.1 -0.156 96.1 -83.6 -83.9-175.4 19.7 -3.9 22.3 404 633 A C T 3 S+ 0 0 14 1,-0.2 -1,-0.1 37,-0.0 -3,-0.1 0.623 117.9 71.3 -58.3 -23.3 16.8 -3.0 24.7 405 634 A N T 3 S+ 0 0 80 -5,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.458 89.0 65.8 -78.0 -6.8 14.2 -3.6 21.9 406 635 A F < + 0 0 8 -3,-1.4 -1,-0.1 1,-0.1 -206,-0.1 -0.925 44.2 162.8-129.5 107.6 14.5 -7.4 21.8 407 636 A S + 0 0 15 -2,-0.5 2,-0.6 34,-0.1 -1,-0.1 0.300 48.3 105.3 -97.3 -0.6 13.4 -9.6 24.9 408 637 A D > - 0 0 4 1,-0.1 4,-2.4 -172,-0.1 3,-0.4 -0.807 60.5-150.9 -93.4 122.6 13.3 -12.9 23.1 409 638 A E H > S+ 0 0 58 -2,-0.6 4,-3.0 1,-0.2 -1,-0.1 0.816 96.2 54.2 -53.5 -41.9 16.1 -15.4 23.8 410 639 A N H > S+ 0 0 70 2,-0.2 4,-0.9 3,-0.2 -1,-0.2 0.867 112.2 42.6 -65.5 -39.5 15.9 -17.0 20.3 411 640 A V H >> S+ 0 0 0 -3,-0.4 3,-1.5 2,-0.2 4,-1.0 0.992 116.9 47.2 -67.3 -59.7 16.2 -13.6 18.4 412 641 A R H >X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.3 3,-1.0 0.853 108.8 56.8 -47.0 -47.4 19.0 -12.5 20.8 413 642 A A H 3X S+ 0 0 39 -4,-3.0 4,-2.3 1,-0.3 -1,-0.3 0.725 99.3 57.8 -59.3 -31.3 20.8 -15.9 20.3 414 643 A I H X S+ 0 0 2 -4,-1.5 4,-1.2 2,-0.2 3,-0.5 0.866 107.3 56.8 -67.8 -39.1 25.3 -14.2 19.5 417 646 A Q H 3< S+ 0 0 71 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.849 105.6 52.1 -59.3 -36.7 25.6 -17.0 16.9 418 647 A K H 3< S+ 0 0 20 -4,-1.1 3,-0.4 1,-0.2 -1,-0.2 0.749 106.1 53.4 -71.9 -26.5 26.8 -14.3 14.4 419 648 A L H X< S+ 0 0 0 -4,-0.8 3,-2.0 -3,-0.5 -1,-0.2 0.723 87.4 79.2 -80.7 -25.6 29.5 -13.1 16.9 420 649 A E T 3< S+ 0 0 76 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 88.8 59.5 -51.3 -32.0 31.0 -16.6 17.4 421 650 A S T 3 S+ 0 0 88 -3,-0.4 2,-0.4 -4,-0.4 -1,-0.3 0.121 81.2 112.5 -85.3 18.1 32.8 -16.1 14.1 422 651 A L < - 0 0 10 -3,-2.0 2,-0.1 2,-0.0 -3,-0.0 -0.817 65.4-132.5 -94.0 131.7 34.7 -12.9 15.4 423 652 A E >> - 0 0 52 -2,-0.4 4,-1.7 1,-0.1 3,-0.9 -0.473 31.3-101.6 -77.7 154.2 38.4 -13.2 15.8 424 653 A D H 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.848 120.2 61.9 -41.0 -49.6 39.9 -12.0 19.2 425 654 A D H 3> S+ 0 0 10 -366,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.867 109.7 39.7 -44.8 -52.6 41.1 -8.7 17.5 426 655 A D H <> S+ 0 0 24 -3,-0.9 4,-1.5 2,-0.2 3,-0.4 0.813 107.7 62.0 -70.7 -35.1 37.5 -7.7 16.7 427 656 A V H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-0.4 0.926 103.6 51.6 -56.9 -44.6 36.1 -9.0 20.0 428 657 A L H < S+ 0 0 27 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.772 104.3 57.2 -61.1 -32.0 38.3 -6.4 21.7 429 658 A H H < S+ 0 0 35 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.892 123.0 24.6 -65.5 -38.8 36.9 -3.6 19.5 430 659 A Y H X S+ 0 0 27 -4,-1.5 4,-2.2 -3,-0.4 -2,-0.2 0.394 93.8 101.8-107.6 -0.3 33.4 -4.4 20.7 431 660 A L H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 3,-0.3 0.912 80.9 51.1 -51.8 -57.0 34.1 -6.0 24.1 432 661 A L H > S+ 0 0 2 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.903 116.4 42.2 -48.5 -48.2 33.1 -2.9 26.2 433 662 A Q H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.791 110.8 53.7 -74.6 -25.1 29.8 -2.6 24.4 434 663 A L H < S+ 0 0 0 -4,-2.2 4,-0.5 -3,-0.3 -1,-0.2 0.937 110.3 49.9 -70.7 -41.0 29.1 -6.3 24.4 435 664 A V H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.923 112.2 46.2 -60.0 -47.0 29.6 -6.2 28.2 436 665 A Q H >< S+ 0 0 4 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.853 102.7 66.4 -65.4 -31.8 27.2 -3.1 28.4 437 666 A A G >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.3 -1,-0.3 0.636 82.6 76.1 -62.1 -16.9 24.8 -5.1 26.1 438 667 A V G X S+ 0 0 1 -3,-1.4 3,-1.6 -4,-0.5 -1,-0.3 0.797 81.5 70.4 -64.9 -27.6 24.3 -7.7 29.1 439 668 A K G < S+ 0 0 2 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.717 93.9 54.0 -62.5 -22.6 22.1 -5.0 30.7 440 669 A F G < S+ 0 0 12 -3,-1.3 -1,-0.3 -38,-0.2 -2,-0.2 0.448 82.6 109.1 -92.5 -1.2 19.4 -5.7 28.0 441 670 A E < - 0 0 8 -3,-1.6 -34,-0.1 -4,-0.2 -37,-0.0 -0.640 61.7-151.1 -76.7 124.2 19.3 -9.4 28.7 442 671 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.921 82.1 49.3 -59.6 -40.4 16.0 -10.4 30.5 443 672 A Y S S- 0 0 4 2,-0.1 -184,-0.0 1,-0.1 -2,-0.0 -0.779 77.6-132.7-106.9 147.6 17.9 -13.3 32.2 444 673 A H S S+ 0 0 15 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.806 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-30,-0.1 -0.786 20.0-138.9-105.2 149.7 30.7 25.6 16.8 743 984 A P S S- 0 0 20 0, 0.0 -32,-0.3 0, 0.0 2,-0.2 0.937 84.0 -23.4 -71.1 -44.1 30.2 22.2 15.1 744 985 A F S S- 0 0 0 86,-0.2 2,-0.7 -33,-0.1 -32,-0.1 -0.800 85.3 -79.3-151.4 178.2 33.8 21.1 16.0 745 986 A V + 0 0 5 -2,-0.2 -43,-0.1 -34,-0.1 -40,-0.1 -0.853 56.7 144.9-102.9 112.2 37.0 23.0 16.9 746 987 A L - 0 0 3 -2,-0.7 92,-0.2 92,-0.2 -1,-0.1 -0.556 31.6-179.9-141.7 63.5 38.8 24.3 13.8 747 988 A T >> - 0 0 7 1,-0.1 4,-2.5 90,-0.1 3,-0.6 -0.082 42.7-104.1 -66.9 163.5 40.2 27.5 15.2 748 989 A P H 3> S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 10,-0.1 0.770 121.0 57.5 -63.2 -26.4 42.4 30.2 13.5 749 990 A D H 3> S+ 0 0 1 2,-0.2 4,-0.6 3,-0.1 -75,-0.3 0.834 111.0 43.2 -71.4 -31.0 45.5 29.0 15.4 750 991 A F H X> S+ 0 0 1 -3,-0.6 3,-1.8 2,-0.2 4,-1.6 0.974 114.2 49.9 -73.0 -55.3 45.0 25.5 13.8 751 992 A L H 3X>S+ 0 0 6 -4,-2.5 5,-0.8 1,-0.3 4,-0.7 0.775 104.5 59.9 -52.0 -34.8 44.2 27.0 10.4 752 993 A F H 3<5S+ 0 0 70 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.751 104.1 49.1 -68.4 -27.6 47.4 29.1 10.6 753 994 A V H <<5S+ 0 0 6 -3,-1.8 -2,-0.2 -4,-0.6 -1,-0.2 0.914 107.2 56.3 -74.0 -44.2 49.5 25.9 10.9 754 995 A M H <5S- 0 0 0 -4,-1.6 11,-0.5 1,-0.1 10,-0.4 0.643 124.3-107.5 -60.7 -17.2 47.6 24.5 7.9 755 996 A G T <5S+ 0 0 37 -4,-0.7 -3,-0.2 1,-0.4 6,-0.1 -0.135 81.1 114.9 115.9 -35.4 48.8 27.6 5.9 756 997 A T < - 0 0 1 -5,-0.8 2,-0.4 6,-0.1 -1,-0.4 -0.259 48.4-155.0 -69.6 154.0 45.5 29.6 5.7 757 998 A S - 0 0 69 -3,-0.1 2,-0.6 4,-0.0 4,-0.0 -0.980 59.6 -63.5-131.9 109.8 44.8 33.0 7.3 758 999 A G S S+ 0 0 43 -2,-0.4 2,-0.5 1,-0.2 80,-0.1 -0.253 127.5 14.3 54.5 -93.5 41.1 33.7 7.9 759 1000 A K S S+ 0 0 129 -2,-0.6 -1,-0.2 2,-0.0 2,-0.2 -0.694 109.7 80.4-114.7 73.4 39.5 33.8 4.4 760 1001 A K - 0 0 121 -2,-0.5 2,-0.2 2,-0.0 -4,-0.1 -0.453 64.1-124.1-143.9-146.6 42.2 32.2 2.1 761 1002 A T - 0 0 62 -2,-0.2 3,-0.1 -6,-0.1 -2,-0.0 -0.906 17.7-177.6-173.4 150.6 43.5 28.7 1.1 762 1003 A S >> - 0 0 15 -2,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.980 43.9 -98.5-151.6 156.8 46.7 26.6 1.0 763 1004 A P H >> S+ 0 0 101 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.839 121.9 50.2 -42.6 -50.0 47.8 23.1 -0.1 764 1005 A H H 3> S+ 0 0 41 -10,-0.4 4,-2.6 1,-0.2 -9,-0.1 0.807 108.1 54.1 -59.7 -36.9 47.6 21.6 3.5 765 1006 A F H <> S+ 0 0 1 -3,-1.0 4,-2.0 -11,-0.5 -1,-0.2 0.783 109.3 46.0 -67.7 -34.3 44.1 23.0 3.9 766 1007 A Q H < S+ 0 0 0 -4,-1.4 3,-2.1 1,-0.2 7,-0.2 0.788 99.6 67.4 -77.6 -33.7 31.9 6.5 8.3 780 1021 A R H >< S+ 0 0 30 -4,-0.9 3,-1.0 1,-0.3 -1,-0.2 0.711 92.0 63.0 -60.5 -20.4 28.6 7.1 6.4 781 1022 A H T 3< S+ 0 0 116 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.646 107.1 43.9 -74.5 -18.1 29.1 3.5 5.0 782 1023 A H T <> S+ 0 0 61 -3,-2.1 4,-2.6 1,-0.1 -1,-0.2 -0.171 74.7 132.0-119.2 34.6 28.8 2.3 8.6 783 1024 A T H <> S+ 0 0 17 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.899 74.4 47.8 -50.1 -53.5 25.8 4.6 9.5 784 1025 A N H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 111.8 49.1 -58.2 -48.6 23.8 1.7 11.0 785 1026 A L H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 115.3 43.8 -56.8 -52.6 26.8 0.5 13.2 786 1027 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 -7,-0.2 5,-0.2 0.885 111.4 53.4 -63.6 -41.9 27.5 4.0 14.5 787 1028 A I H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.907 112.8 44.9 -58.2 -46.0 23.8 4.8 15.2 788 1029 A I H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.882 115.0 45.9 -66.1 -44.3 23.5 1.6 17.3 789 1030 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.876 115.7 46.8 -65.8 -42.3 26.8 2.1 19.2 790 1031 A F H X S+ 0 0 6 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.859 114.7 48.3 -63.1 -43.3 25.9 5.7 19.9 791 1032 A S H X S+ 0 0 11 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.916 113.6 44.9 -63.4 -50.1 22.3 4.6 20.9 792 1033 A M H X S+ 0 0 4 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.843 109.2 58.3 -63.4 -38.4 23.6 1.8 23.2 793 1034 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.4 0.878 106.0 48.3 -58.5 -45.1 26.2 4.2 24.7 794 1035 A L H X S+ 0 0 4 -4,-1.5 4,-0.6 3,-0.2 -1,-0.2 0.773 114.4 45.4 -68.4 -30.6 23.4 6.7 25.8 795 1036 A M H < S+ 0 0 17 -4,-1.1 -513,-1.9 -3,-0.1 -512,-0.4 0.871 122.6 33.9 -78.9 -41.9 21.2 4.0 27.4 796 1037 A T H < S+ 0 0 8 -4,-2.3 -2,-0.2 -515,-0.2 -3,-0.2 0.588 135.1 14.8 -90.8 -18.2 24.1 2.2 29.3 797 1038 A G H < S+ 0 0 2 -4,-1.8 -3,-0.2 -5,-0.2 -191,-0.1 0.478 101.8 78.9-140.3 -0.1 26.4 5.1 30.2 798 1039 A M < - 0 0 3 -4,-0.6 -1,-0.1 -5,-0.4 2,-0.1 -0.763 63.9-158.3-113.6 78.0 24.8 8.5 29.8 799 1040 A P S S+ 0 0 77 0, 0.0 2,-1.1 0, 0.0 -4,-0.1 -0.438 75.9 0.7 -62.1 131.6 22.6 9.1 33.0 800 1041 A Q S S+ 0 0 144 -2,-0.1 2,-2.0 -523,-0.1 3,-0.4 -0.761 108.7 90.4 92.8 -78.2 19.9 11.7 32.2 801 1042 A L + 0 0 51 -2,-1.1 -1,-0.1 -66,-0.2 -3,-0.1 -0.183 58.3 95.1 -53.2 71.9 20.8 12.6 28.6 802 1043 A T >> + 0 0 7 -2,-2.0 2,-3.9 4,-0.1 4,-1.3 0.637 24.5 138.4-117.9 -73.8 18.6 10.1 26.7 803 1044 A S T 45S- 0 0 32 -3,-0.4 -2,-0.1 1,-0.2 -1,-0.0 -0.116 76.1-113.2 55.5 -39.8 15.2 11.7 25.7 804 1045 A K T >5S+ 0 0 74 -2,-3.9 4,-2.4 -13,-0.0 -1,-0.2 -0.390 114.3 80.1 101.6 -32.5 15.6 9.9 22.3 805 1046 A E T 45S+ 0 0 127 1,-0.2 -2,-0.2 2,-0.2 4,-0.1 0.674 87.6 55.1 -69.9 -20.9 16.1 13.4 20.8 806 1047 A D T ><5S+ 0 0 57 -4,-1.3 3,-1.0 2,-0.2 4,-0.3 0.900 109.7 47.0 -76.1 -41.0 19.7 13.2 22.1 807 1048 A I T >4 S+ 0 0 79 -3,-1.0 4,-2.3 1,-0.2 -1,-0.3 0.892 85.7 57.4 -61.3 -45.3 21.4 13.9 16.7 810 1051 A I H <> S+ 0 0 1 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.2 0.760 99.5 58.4 -59.6 -29.9 23.6 11.2 15.1 811 1052 A R H 4>S+ 0 0 51 -3,-0.3 5,-1.4 -4,-0.3 4,-0.3 0.990 110.1 43.2 -61.1 -58.3 21.0 10.7 12.2 812 1053 A D H ><5S+ 0 0 109 -4,-1.2 3,-1.7 1,-0.2 -2,-0.2 0.894 115.5 48.3 -50.3 -57.2 21.4 14.5 11.3 813 1054 A A H 3<5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.863 112.2 48.2 -53.9 -46.2 25.2 14.4 11.7 814 1055 A L T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.400 105.4-136.5 -78.8 3.3 25.5 11.2 9.5 815 1056 A T T X 5 - 0 0 16 -3,-1.7 3,-1.4 -4,-0.3 -3,-0.2 0.855 28.1-157.6 44.0 48.6 23.2 13.0 7.0 816 1057 A V T 3 < + 0 0 53 -5,-1.4 -1,-0.1 1,-0.2 3,-0.1 -0.161 69.2 23.5 -56.0 148.4 21.2 9.8 6.5 817 1058 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.056 97.7 117.6 81.9 -24.6 19.1 9.4 3.3 818 1059 A K < - 0 0 92 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.1 -0.512 65.6-124.1 -78.3 141.5 21.4 11.9 1.6 819 1060 A N > - 0 0 77 -2,-0.2 4,-1.4 -3,-0.1 5,-0.1 -0.263 34.7 -95.3 -72.2 167.5 23.5 10.8 -1.4 820 1061 A E H > S+ 0 0 90 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.912 120.3 48.7 -53.8 -58.9 27.4 11.2 -1.3 821 1062 A E H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.863 112.7 48.6 -54.4 -41.7 27.7 14.6 -3.2 822 1063 A D H > S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.802 112.4 51.4 -65.0 -33.4 25.0 16.2 -0.9 823 1064 A A H X S+ 0 0 0 -4,-1.4 4,-1.1 -3,-0.5 -2,-0.2 0.677 106.5 52.1 -76.6 -27.1 26.9 14.7 2.1 824 1065 A K H X S+ 0 0 82 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.879 110.0 49.5 -76.2 -39.3 30.3 16.2 0.9 825 1066 A K H X S+ 0 0 144 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.901 107.8 54.0 -62.8 -46.8 28.6 19.7 0.6 826 1067 A Y H X S+ 0 0 70 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.858 110.3 46.5 -57.3 -43.1 27.1 19.5 4.2 827 1068 A F H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 3,-0.3 0.940 110.1 51.3 -66.8 -49.2 30.5 18.7 5.8 828 1069 A L H X S+ 0 0 44 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.837 108.9 53.6 -56.1 -34.5 32.4 21.5 3.9 829 1070 A D H X S+ 0 0 84 -4,-1.9 4,-1.6 2,-0.2 3,-0.4 0.884 106.2 51.9 -65.5 -40.4 29.6 23.9 5.2 830 1071 A Q H X S+ 0 0 35 -4,-1.5 4,-1.0 -3,-0.3 -86,-0.2 0.844 105.8 53.7 -64.6 -34.9 30.3 22.6 8.8 831 1072 A I H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.751 108.1 54.7 -67.9 -24.5 34.1 23.5 8.2 832 1073 A E H X S+ 0 0 61 -4,-0.8 4,-3.5 -3,-0.4 -2,-0.2 0.864 95.9 59.1 -78.2 -40.4 32.7 26.9 7.2 833 1074 A V H X S+ 0 0 50 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.861 110.5 48.6 -56.0 -32.6 30.7 27.6 10.5 834 1075 A C H X S+ 0 0 3 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.928 112.1 45.9 -67.2 -52.8 34.3 27.1 12.0 835 1076 A R H < S+ 0 0 29 -4,-1.4 -2,-0.2 2,-0.2 -3,-0.2 0.909 115.9 47.3 -57.2 -48.0 35.9 29.6 9.5 836 1077 A D H < S+ 0 0 108 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.9 44.1 -61.5 -47.3 33.1 32.1 10.0 837 1078 A K H >< S+ 0 0 55 -4,-2.2 3,-2.8 -5,-0.2 -2,-0.2 0.674 74.1 163.1 -74.8 -25.5 33.2 31.8 13.8 838 1079 A G T 3< S- 0 0 22 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 -0.181 77.8 -8.6 46.5-103.9 37.1 31.9 14.4 839 1080 A W T 3> S+ 0 0 43 1,-0.1 4,-2.3 -92,-0.1 -1,-0.3 0.377 106.1 102.4-102.4 -2.0 37.5 32.8 18.1 840 1081 A T H <> S+ 0 0 56 -3,-2.8 4,-1.1 1,-0.2 -1,-0.1 0.913 89.6 34.2 -47.4 -60.5 33.8 33.6 19.1 841 1082 A V H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.899 115.9 52.9 -67.0 -49.1 33.0 30.3 20.9 842 1083 A Q H > S+ 0 0 10 -4,-0.3 4,-2.2 1,-0.3 -127,-0.2 0.918 110.4 52.2 -52.2 -43.3 36.5 29.6 22.4 843 1084 A F H X S+ 0 0 86 -4,-2.3 4,-2.4 2,-0.2 -1,-0.3 0.809 108.1 49.0 -60.7 -38.0 36.2 33.1 23.8 844 1085 A N H X S+ 0 0 69 -4,-1.1 4,-2.5 -3,-0.5 -1,-0.2 0.885 107.9 55.4 -70.9 -38.8 32.7 32.3 25.3 845 1086 A W H X>S+ 0 0 41 -4,-2.6 4,-3.8 2,-0.2 5,-0.5 0.915 110.5 44.6 -59.0 -44.7 34.2 29.1 26.8 846 1087 A F H X>S+ 0 0 35 -4,-2.2 4,-2.1 1,-0.2 5,-0.8 0.958 115.0 48.6 -60.4 -52.2 36.9 31.3 28.5 847 1088 A L H <5S+ 0 0 83 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.785 126.4 29.3 -53.6 -34.8 34.1 33.8 29.6 848 1089 A H H X5S+ 0 0 120 -4,-2.5 4,-0.7 4,-0.4 -2,-0.2 0.907 126.4 38.3 -90.8 -60.2 32.0 30.8 30.9 849 1090 A L H <5S+ 0 0 77 -4,-3.8 -3,-0.2 3,-0.2 -2,-0.2 0.671 127.0 32.2 -70.2 -28.3 34.5 28.1 32.0 850 1091 A V T <