==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-JUL-10 3NZS . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,C.WIESMANN . 828 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 571 69.0 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 . 110 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 5 1 3 0 4 4 0 3 3 1 0 3 0 1 1 0 1 0 0 0 1 0 1 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 3 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 2 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 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 1 147 A S > 0 0 107 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 10.3 28.1 -24.8 3.8 2 148 A Q H > + 0 0 134 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.890 360.0 49.0 -74.8 -40.6 29.8 -22.4 1.3 3 149 A A H > S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.504 105.9 63.6 -75.0 -3.8 27.1 -19.8 1.7 4 150 A F H > S+ 0 0 24 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.901 101.6 44.2 -85.1 -48.3 27.6 -20.2 5.5 5 151 A Q H X S+ 0 0 29 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.820 113.5 55.3 -62.6 -30.5 31.2 -19.0 5.6 6 152 A R H X S+ 0 0 170 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.891 106.0 50.8 -65.6 -41.1 29.9 -16.2 3.3 7 153 A Q H X S+ 0 0 72 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.922 110.4 47.9 -63.5 -46.2 27.2 -15.4 5.9 8 154 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.899 110.4 52.7 -61.3 -41.5 29.8 -15.3 8.8 9 155 A T H X>S+ 0 0 32 -4,-2.0 4,-2.8 1,-0.2 5,-0.9 0.880 110.8 46.1 -63.1 -39.4 32.1 -13.0 6.7 10 156 A A H <5S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.696 114.1 49.6 -76.8 -20.0 29.2 -10.6 6.0 11 157 A L H <5S+ 0 0 4 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.692 117.5 40.8 -86.4 -22.8 28.3 -10.7 9.6 12 158 A I H <5S- 0 0 3 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.2 0.849 96.5-133.6 -91.7 -41.7 31.9 -10.1 10.7 13 159 A G T <5S+ 0 0 52 -4,-2.8 2,-0.3 1,-0.2 -3,-0.2 0.646 80.2 72.8 89.2 19.2 33.0 -7.5 8.1 14 160 A Y S - 0 0 58 -2,-0.3 3,-1.4 1,-0.1 -9,-0.1 -0.766 19.5-173.0 -93.4 105.3 37.2 -12.6 5.7 16 162 A V T 3 S+ 0 0 13 -2,-0.9 -1,-0.1 1,-0.3 15,-0.1 0.418 85.2 60.0 -78.1 2.4 38.9 -14.9 8.2 17 163 A T T 3 S+ 0 0 59 -12,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.452 77.2 108.5-104.3 -6.2 39.8 -17.3 5.3 18 164 A D < + 0 0 64 -3,-1.4 3,-0.3 1,-0.1 -3,-0.0 -0.632 41.8 178.0 -74.0 114.5 41.8 -14.6 3.6 19 165 A V > + 0 0 98 -2,-0.6 3,-0.6 1,-0.2 -1,-0.1 0.072 50.0 105.9-105.8 23.0 45.5 -15.6 4.0 20 166 A S T 3 S+ 0 0 79 1,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.794 79.2 48.4 -73.2 -29.1 46.9 -12.7 1.9 21 167 A N T 3 S+ 0 0 10 -3,-0.3 262,-0.3 2,-0.0 2,-0.3 -0.401 92.3 93.7-112.9 56.1 48.2 -10.9 5.0 22 168 A V < - 0 0 54 -3,-0.6 3,-0.1 -2,-0.3 260,-0.0 -0.978 44.7-170.1-140.7 154.1 50.1 -13.5 6.9 23 169 A H S S+ 0 0 59 -2,-0.3 2,-0.2 241,-0.0 -1,-0.1 0.190 84.7 15.5-123.2 9.2 53.6 -14.8 7.2 24 170 A D S S- 0 0 44 230,-0.0 4,-0.2 0, 0.0 3,-0.1 -0.851 83.0-101.6-157.8-166.1 52.7 -17.8 9.3 25 171 A D S > S+ 0 0 57 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.005 74.0 117.3-121.8 28.6 49.6 -19.8 10.3 26 172 A E H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.927 79.5 48.5 -61.4 -45.9 48.9 -18.5 13.8 27 173 A L H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.950 115.4 42.1 -59.4 -53.6 45.5 -17.1 12.8 28 174 A E H > S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.861 113.9 54.3 -62.3 -36.3 44.3 -20.3 11.0 29 175 A F H X S+ 0 0 72 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.852 106.8 51.2 -64.5 -36.2 45.8 -22.3 13.9 30 176 A T H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.854 101.6 60.6 -70.9 -36.4 43.8 -20.3 16.4 31 177 A R H < S+ 0 0 47 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.905 111.1 41.4 -53.9 -42.8 40.6 -21.0 14.4 32 178 A R H >X S+ 0 0 167 -4,-1.3 3,-1.1 1,-0.2 4,-0.6 0.871 110.0 56.8 -73.8 -39.7 41.2 -24.7 15.0 33 179 A G H 3< S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.718 104.0 54.6 -65.8 -21.4 42.2 -24.3 18.6 34 180 A L T 3X S+ 0 0 3 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.593 86.7 81.1 -89.7 -12.4 39.0 -22.5 19.5 35 181 A V H <> S+ 0 0 47 -3,-1.1 4,-2.6 -4,-0.4 5,-0.3 0.930 92.0 49.6 -58.1 -47.9 36.8 -25.3 18.1 36 182 A T H X S+ 0 0 107 -4,-0.6 4,-2.5 1,-0.2 5,-0.2 0.953 113.0 43.6 -58.9 -55.4 37.2 -27.4 21.3 37 183 A P H > S+ 0 0 25 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.858 113.9 55.4 -58.6 -33.2 36.3 -24.5 23.8 38 184 A R H X S+ 0 0 45 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.947 114.1 36.3 -63.4 -51.1 33.5 -23.6 21.4 39 185 A M H X S+ 0 0 111 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.771 111.2 62.1 -75.6 -26.7 31.9 -27.1 21.4 40 186 A A H < S+ 0 0 58 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.758 111.0 38.8 -70.9 -24.9 32.7 -27.7 25.1 41 187 A E H >< S+ 0 0 13 -4,-1.1 3,-0.7 -3,-0.4 4,-0.3 0.758 114.0 53.2 -94.7 -30.7 30.5 -24.7 26.1 42 188 A V H >< S+ 0 0 37 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.854 109.8 49.2 -69.9 -35.4 27.7 -25.3 23.6 43 189 A A T 3< S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.364 112.5 48.8 -87.2 5.5 27.3 -28.9 24.8 44 190 A S T < S+ 0 0 78 -3,-0.7 2,-0.4 -5,-0.1 -1,-0.2 0.330 84.2 101.8-127.8 5.3 27.2 -27.9 28.4 45 191 A R S < S- 0 0 32 -3,-0.6 402,-0.0 -4,-0.3 401,-0.0 -0.783 78.0-111.1 -98.9 136.6 24.6 -25.1 28.6 46 192 A D > - 0 0 80 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.512 24.7-147.2 -65.6 112.8 21.0 -25.6 29.7 47 193 A P H > S+ 0 0 71 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.815 93.4 47.0 -51.4 -40.2 18.9 -25.1 26.6 48 194 A K H > S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.960 114.4 42.4 -71.4 -53.9 16.0 -23.6 28.4 49 195 A L H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.783 114.3 54.5 -64.5 -27.0 17.8 -21.1 30.6 50 196 A Y H < S+ 0 0 8 -4,-2.3 398,-0.3 2,-0.2 -1,-0.2 0.827 106.4 50.7 -74.2 -33.1 20.0 -20.2 27.6 51 197 A A H < S+ 0 0 7 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.770 118.9 36.7 -75.6 -26.9 16.9 -19.4 25.5 52 198 A M H < S- 0 0 14 -4,-1.4 65,-0.5 -5,-0.1 -2,-0.2 0.584 89.0-156.2-101.8 -14.4 15.4 -17.2 28.1 53 199 A H < - 0 0 23 -4,-1.3 64,-0.2 -5,-0.2 -3,-0.1 0.850 14.0-145.9 39.0 58.7 18.7 -15.6 29.3 54 200 A P - 0 0 26 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.278 3.1-142.5 -52.9 130.7 17.5 -14.7 32.8 55 201 A W + 0 0 67 62,-0.5 73,-1.8 -3,-0.1 74,-0.4 -0.832 39.6 152.4-101.9 98.9 19.2 -11.4 33.9 56 202 A V B -A 127 0A 44 -2,-0.9 2,-0.3 71,-0.2 71,-0.2 -0.751 30.5-152.8-126.2 168.5 19.9 -11.8 37.6 57 203 A T - 0 0 2 69,-2.1 -2,-0.0 -2,-0.2 355,-0.0 -0.991 14.0-155.1-142.1 148.6 22.3 -10.6 40.3 58 204 A S + 0 0 89 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.389 60.6 116.4-102.6 0.4 23.5 -12.0 43.6 59 205 A K S S- 0 0 45 1,-0.1 -2,-0.1 67,-0.1 2,-0.1 -0.370 76.5 -98.6 -68.1 147.7 24.3 -8.6 45.2 60 206 A P - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.432 45.2 -98.4 -65.2 139.7 22.3 -7.5 48.2 61 207 A L - 0 0 9 -2,-0.1 5,-0.1 1,-0.1 65,-0.1 -0.448 47.8-112.7 -61.4 123.2 19.5 -5.1 47.5 62 208 A P > - 0 0 5 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.033 18.5-115.8 -52.6 165.1 20.7 -1.6 48.2 63 209 A E H >> S+ 0 0 115 1,-0.2 4,-1.5 549,-0.2 3,-0.5 0.890 111.7 58.9 -73.6 -41.6 19.4 0.5 51.1 64 210 A Y H 34 S+ 0 0 51 1,-0.2 -1,-0.2 551,-0.2 552,-0.0 0.600 109.7 46.9 -66.0 -9.6 17.8 3.2 48.9 65 211 A L H >4 S+ 0 0 10 -3,-0.4 3,-0.6 2,-0.1 -1,-0.2 0.653 102.0 61.6-103.8 -23.1 15.7 0.5 47.3 66 212 A W H X< S+ 0 0 95 -4,-0.9 3,-1.8 -3,-0.5 -2,-0.2 0.885 99.7 56.5 -66.0 -39.2 14.6 -1.3 50.4 67 213 A K T 3< S+ 0 0 174 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.572 93.9 69.8 -71.1 -8.3 12.8 1.9 51.6 68 214 A K T < S+ 0 0 133 -3,-0.6 2,-0.3 -5,-0.2 -1,-0.3 0.573 88.1 82.3 -82.2 -10.7 10.9 1.8 48.3 69 215 A I < - 0 0 25 -3,-1.8 5,-0.1 -4,-0.2 -3,-0.0 -0.733 62.1-161.5 -99.9 145.9 9.1 -1.3 49.6 70 216 A A S S- 0 0 81 3,-0.4 -1,-0.2 -2,-0.3 4,-0.1 0.951 78.1 -9.7 -88.1 -76.5 6.0 -1.1 52.0 71 217 A N S S- 0 0 136 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 -0.111 105.0 -82.7-118.5 34.7 5.4 -4.4 53.8 72 218 A N S S+ 0 0 104 1,-0.2 2,-0.6 -6,-0.2 20,-0.2 0.781 101.1 130.2 61.1 25.9 7.8 -6.7 52.0 73 219 A C - 0 0 29 17,-0.1 2,-0.5 18,-0.1 -3,-0.4 -0.858 38.1-176.4-116.8 94.4 4.8 -6.8 49.6 74 220 A I E -B 89 0B 10 15,-2.3 15,-2.0 -2,-0.6 2,-0.3 -0.806 20.4-135.9 -93.2 126.2 5.8 -6.1 46.0 75 221 A F E -B 88 0B 109 -2,-0.5 65,-0.5 13,-0.2 2,-0.4 -0.628 19.9-174.0 -85.1 137.2 2.9 -5.8 43.5 76 222 A I E -c 140 0C 1 11,-1.8 2,-0.4 -2,-0.3 11,-0.3 -0.912 14.6-146.7-135.4 107.0 3.2 -7.6 40.2 77 223 A V E -c 141 0C 20 63,-1.7 65,-2.4 -2,-0.4 2,-0.4 -0.577 17.1-160.4 -76.5 126.2 0.5 -7.1 37.5 78 224 A I E -cD 142 85C 3 7,-2.8 7,-2.3 -2,-0.4 2,-0.3 -0.887 8.2-172.7-113.0 139.0 -0.1 -10.2 35.4 79 225 A H E +cD 143 84C 42 63,-1.6 65,-3.2 -2,-0.4 5,-0.2 -0.908 16.0 168.3-126.6 153.8 -1.8 -10.3 32.0 80 226 A R S S- 0 0 163 3,-0.6 4,-0.1 -2,-0.3 -1,-0.1 0.483 77.5 -22.3-137.7 -23.6 -2.8 -13.3 29.8 81 227 A S S S- 0 0 89 2,-0.5 -2,-0.1 0, 0.0 3,-0.0 0.062 119.2 -38.1-148.8 -79.0 -5.1 -12.0 26.9 82 228 A T S S+ 0 0 140 2,-0.0 2,-0.0 0, 0.0 -3,-0.0 0.329 118.5 80.5-136.5 -22.5 -6.9 -8.7 27.5 83 229 A T - 0 0 83 2,-0.0 -3,-0.6 0, 0.0 -2,-0.5 -0.111 59.4-171.6 -76.7-177.0 -7.7 -9.2 31.1 84 230 A S E -D 79 0C 66 -5,-0.2 2,-0.3 -4,-0.1 -5,-0.2 -0.876 10.5-168.9-176.3 145.8 -5.2 -8.6 34.0 85 231 A Q E -D 78 0C 140 -7,-2.3 -7,-2.8 -2,-0.3 2,-0.2 -0.999 18.1-129.8-146.1 144.1 -4.9 -9.0 37.8 86 232 A T - 0 0 82 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.501 20.7-161.8 -89.9 157.9 -2.5 -7.8 40.4 87 233 A I - 0 0 23 -11,-0.3 -11,-1.8 -2,-0.2 2,-0.6 -0.999 19.4-129.4-142.2 143.3 -0.7 -10.0 43.0 88 234 A K E -B 75 0B 152 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.826 36.5-174.6 -90.5 121.0 1.1 -9.4 46.4 89 235 A V E -B 74 0B 8 -15,-2.0 -15,-2.3 -2,-0.6 -2,-0.0 -0.894 27.1-122.3-122.1 146.5 4.5 -11.1 46.3 90 236 A S > - 0 0 55 -2,-0.3 3,-2.5 -17,-0.2 34,-0.4 -0.740 22.1-133.8 -83.3 130.3 7.3 -11.7 48.8 91 237 A P T 3 S+ 0 0 1 0, 0.0 34,-1.7 0, 0.0 35,-0.2 0.688 107.9 51.0 -56.7 -19.4 10.6 -10.2 47.6 92 238 A D T 3 S+ 0 0 98 31,-0.2 2,-0.3 -20,-0.2 -2,-0.0 0.411 89.5 102.5 -99.6 -0.6 12.2 -13.5 48.6 93 239 A D S < S- 0 0 71 -3,-2.5 31,-1.3 30,-0.1 32,-0.1 -0.676 72.1-119.5 -90.4 138.7 9.8 -15.7 46.7 94 240 A T > - 0 0 40 -2,-0.3 4,-2.0 29,-0.2 3,-0.2 -0.235 24.9-109.9 -70.2 158.8 10.7 -17.3 43.4 95 241 A P H > S+ 0 0 5 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.841 122.6 56.8 -55.1 -34.9 8.9 -16.7 40.1 96 242 A G H > S+ 0 0 34 24,-0.3 4,-2.2 2,-0.2 5,-0.3 0.906 103.3 51.8 -62.8 -43.8 7.6 -20.3 40.5 97 243 A A H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 109.1 50.8 -57.9 -44.5 6.2 -19.5 43.9 98 244 A I H < S+ 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.871 107.0 55.9 -60.6 -38.5 4.4 -16.5 42.3 99 245 A L H >X S+ 0 0 35 -4,-1.9 3,-2.2 1,-0.2 4,-1.8 0.972 111.4 39.7 -58.9 -58.9 3.0 -18.8 39.6 100 246 A Q H 3X S+ 0 0 147 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.790 111.9 60.1 -61.3 -27.0 1.4 -21.3 42.0 101 247 A S H 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.410 107.7 47.8 -79.1 2.3 0.4 -18.2 44.0 102 248 A F H <4 S+ 0 0 50 -3,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.772 108.8 46.5-108.0 -45.5 -1.5 -17.1 40.9 103 249 A F H < 0 0 134 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.1 0.856 360.0 360.0 -67.5 -32.2 -3.4 -20.2 39.9 104 250 A T < 0 0 152 -4,-1.4 -3,-0.1 -5,-0.2 -4,-0.0 0.440 360.0 360.0 -71.8 360.0 -4.5 -20.6 43.4 105 ! 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 0.0 106 269 A D 0 0 185 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.4 3.7 -24.8 31.6 107 270 A F - 0 0 98 39,-0.1 2,-0.3 2,-0.0 39,-0.2 -0.937 360.0-158.4-126.6 152.2 3.7 -21.0 31.4 108 271 A V E -E 145 0C 12 37,-2.8 37,-1.7 -2,-0.3 2,-1.0 -0.887 24.8-107.7-130.5 160.3 6.4 -18.4 32.2 109 272 A L E -E 144 0C 2 9,-0.5 9,-2.7 -2,-0.3 2,-0.3 -0.737 36.3-179.1 -94.9 97.6 6.5 -14.7 33.1 110 273 A R E -EF 143 117C 24 33,-2.0 33,-2.9 -2,-1.0 7,-0.2 -0.711 32.4-109.4 -90.7 146.5 7.7 -12.6 30.3 111 274 A V E > -E 142 0C 1 5,-2.7 3,-1.1 -2,-0.3 5,-0.4 -0.534 39.1-101.1 -76.2 139.4 8.1 -8.8 30.7 112 275 A C T 3 S- 0 0 16 29,-1.9 467,-0.3 1,-0.2 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-4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.901 110.2 51.8 -60.4 -43.6 62.6 -4.7 42.6 332 573 A E H X S+ 0 0 137 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.812 111.8 47.4 -65.1 -30.9 65.6 -6.4 44.3 333 574 A L H X S+ 0 0 19 -4,-1.9 4,-2.1 -3,-0.2 -2,-0.2 0.931 111.2 50.1 -74.0 -47.9 63.8 -6.4 47.6 334 575 A L H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.903 116.0 43.1 -54.9 -45.5 60.5 -7.8 46.1 335 576 A W H >< S+ 0 0 40 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.949 112.3 49.6 -69.4 -51.2 62.4 -10.5 44.3 336 577 A H H 3< S+ 0 0 138 -4,-2.0 3,-0.2 1,-0.3 -1,-0.2 0.828 121.0 38.7 -59.1 -31.7 64.8 -11.5 47.2 337 578 A F T 3X S+ 0 0 37 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 -0.335 78.7 131.9-111.1 48.3 61.7 -11.7 49.4 338 579 A R H <> + 0 0 43 -3,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.784 67.0 56.0 -73.8 -28.6 59.4 -13.2 46.8 339 580 A Y H 4 S+ 0 0 103 -3,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.782 112.9 41.8 -76.3 -26.7 58.0 -16.0 49.1 340 581 A E H >4 S+ 0 0 42 -3,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.841 112.7 54.3 -81.7 -38.3 56.9 -13.4 51.7 341 582 A S H >< S+ 0 0 0 -4,-2.1 3,-1.5 -7,-0.3 6,-0.3 0.764 97.4 67.0 -63.4 -26.0 55.6 -11.1 48.9 342 583 A L T 3< S+ 0 0 11 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.689 86.1 69.3 -70.9 -17.8 53.5 -14.0 47.6 343 584 A K T < S+ 0 0 114 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.547 92.3 67.9 -77.0 -6.9 51.4 -13.8 50.8 344 585 A H X - 0 0 63 -3,-1.5 3,-2.4 1,-0.1 4,-0.3 -0.910 63.8-166.2-119.5 103.5 50.0 -10.5 49.6 345 586 A P G > S+ 0 0 28 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.829 91.7 60.7 -52.9 -36.0 47.8 -10.7 46.5 346 587 A K G 3 S+ 0 0 115 1,-0.3 4,-0.3 2,-0.1 -2,-0.0 0.525 98.4 59.4 -71.7 -5.2 48.1 -6.9 46.1 347 588 A A G <> S+ 0 0 0 -3,-2.4 4,-2.9 -6,-0.3 -1,-0.3 0.509 80.6 89.7 -98.0 -7.7 51.8 -7.4 45.7 348 589 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.3 5,-0.2 0.931 83.9 48.8 -58.7 -53.8 51.6 -9.6 42.6 349 590 A P H 4 S+ 0 0 7 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.929 118.5 41.0 -52.8 -48.4 51.6 -6.9 39.9 350 591 A K H >> S+ 0 0 17 -4,-0.3 3,-0.8 1,-0.2 4,-0.7 0.885 114.0 52.9 -67.2 -40.6 54.7 -5.3 41.4 351 592 A L H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.876 109.4 48.5 -62.4 -39.5 56.4 -8.6 42.2 352 593 A F T 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.501 106.1 58.0 -83.3 -3.9 56.0 -9.8 38.6 353 594 A S T <4 S+ 0 0 38 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.558 98.1 61.6 -93.0 -14.3 57.4 -6.5 37.4 354 595 A S S << S+ 0 0 11 -4,-0.7 2,-0.3 -3,-0.6 -2,-0.2 0.499 83.1 107.7 -86.4 -6.3 60.5 -7.2 39.4 355 596 A V - 0 0 3 -4,-0.2 2,-1.3 1,-0.1 3,-0.1 -0.572 68.7-138.7 -78.2 131.2 61.2 -10.3 37.4 356 597 A K > + 0 0 125 -2,-0.3 3,-1.4 1,-0.2 7,-0.4 -0.732 22.7 179.2 -87.4 90.9 64.0 -10.3 34.9 357 598 A W T 3 S+ 0 0 10 -2,-1.3 -1,-0.2 1,-0.3 -157,-0.1 0.546 71.3 78.3 -70.7 -5.9 62.3 -12.1 32.0 358 599 A G T 3 S+ 0 0 19 -129,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.333 88.1 66.5 -84.2 7.0 65.6 -11.7 30.1 359 600 A Q <> - 0 0 74 -3,-1.4 4,-2.0 1,-0.1 5,-0.2 -0.991 68.0-153.6-133.1 125.8 67.1 -14.6 32.0 360 601 A Q H > S+ 0 0 24 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.917 95.5 56.9 -61.7 -46.2 65.9 -18.2 31.7 361 602 A E H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 110.1 45.2 -53.6 -44.1 67.0 -19.1 35.2 362 603 A I H > S+ 0 0 21 -6,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 110.1 52.0 -67.7 -49.9 64.9 -16.4 36.8 363 604 A V H X S+ 0 0 8 -4,-2.0 4,-2.1 -7,-0.4 -1,-0.2 0.881 108.9 54.0 -53.3 -39.7 61.8 -17.1 34.7 364 605 A A H X S+ 0 0 37 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.949 108.4 46.9 -59.6 -51.1 62.1 -20.7 35.8 365 606 A K H X S+ 0 0 85 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.829 109.6 56.9 -58.9 -32.7 62.2 -19.7 39.5 366 607 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.890 105.9 48.1 -66.9 -40.3 59.2 -17.5 38.7 367 608 A Y H X S+ 0 0 68 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.823 108.8 54.5 -70.3 -31.7 57.2 -20.5 37.4 368 609 A Q H < S+ 0 0 109 -4,-1.9 4,-0.2 2,-0.2 -2,-0.2 0.899 108.0 51.1 -62.6 -41.9 58.2 -22.4 40.5 369 610 A L H >< S+ 0 0 1 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.934 107.3 51.2 -60.5 -49.4 56.8 -19.5 42.5 370 611 A L H >< S+ 0 0 8 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.765 97.2 68.2 -62.4 -27.1 53.5 -19.6 40.7 371 612 A A T 3< S+ 0 0 80 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.602 92.5 64.4 -67.9 -9.9 53.2 -23.3 41.3 372 613 A R T < + 0 0 144 -3,-2.0 2,-1.5 -4,-0.2 3,-0.4 -0.290 66.1 146.0-107.3 45.8 52.7 -22.3 45.0 373 614 A R < + 0 0 61 -3,-0.7 4,-0.1 1,-0.2 -3,-0.1 -0.606 18.6 120.9 -88.8 80.9 49.5 -20.4 44.5 374 615 A E S > S+ 0 0 109 -2,-1.5 4,-1.9 3,-0.1 -1,-0.2 0.786 77.9 42.8-100.9 -46.8 47.5 -21.0 47.7 375 616 A V H > S+ 0 0 59 -3,-0.4 4,-1.2 2,-0.2 -2,-0.1 0.880 117.5 47.7 -67.7 -39.6 47.1 -17.5 49.0 376 617 A W H 4 S+ 0 0 3 2,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.918 112.4 48.6 -67.3 -44.9 46.2 -16.2 45.5 377 618 A D H 4 S+ 0 0 68 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.884 117.2 41.6 -61.7 -39.5 43.7 -19.0 44.8 378 619 A Q H < S+ 0 0 159 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.618 93.3 102.9 -87.9 -14.5 42.0 -18.5 48.2 379 620 A S S < S- 0 0 26 -4,-1.2 2,-0.1 -3,-0.2 3,-0.1 -0.322 81.9-100.8 -66.8 151.7 42.0 -14.7 48.1 380 621 A A - 0 0 91 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.401 48.8 -86.4 -71.5 151.6 38.8 -12.9 47.2 381 622 A L - 0 0 55 -2,-0.1 2,-0.6 25,-0.1 -1,-0.1 -0.419 41.8-173.2 -64.6 121.8 38.4 -11.6 43.7 382 623 A D > - 0 0 57 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 -0.858 4.5-170.2-117.6 93.2 39.8 -8.2 43.3 383 624 A V H > S+ 0 0 20 -2,-0.6 4,-3.1 1,-0.3 5,-0.2 0.884 86.9 52.4 -50.8 -48.6 38.9 -7.0 39.8 384 625 A G H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.900 114.1 44.3 -54.0 -42.9 41.2 -3.9 39.9 385 626 A L H > S+ 0 0 8 -3,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.882 113.9 49.6 -68.9 -40.4 44.0 -6.3 40.9 386 627 A T H < S+ 0 0 2 -4,-2.9 3,-0.5 1,-0.2 4,-0.3 0.861 107.8 54.1 -68.1 -36.7 43.1 -8.8 38.2 387 628 A M H >< S+ 0 0 0 -4,-3.1 3,-1.3 -5,-0.2 4,-0.3 0.836 99.6 62.4 -65.8 -33.8 42.9 -6.1 35.5 388 629 A Q H >< S+ 0 0 17 -4,-1.2 3,-0.9 1,-0.3 5,-0.3 0.829 99.7 53.8 -61.8 -33.4 46.4 -5.0 36.4 389 630 A L T 3< S+ 0 0 0 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.555 105.8 54.7 -80.0 -7.8 47.9 -8.4 35.4 390 631 A L T < S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.3 38,-0.2 0.355 89.9 96.9-106.4 3.6 46.2 -8.2 32.0 391 632 A D S X S- 0 0 11 -3,-0.9 3,-1.4 -4,-0.3 -3,-0.0 -0.057 96.4 -77.7 -85.9-170.0 47.6 -4.9 30.8 392 633 A C T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -118,-0.1 -3,-0.1 0.598 118.5 73.1 -65.7 -12.4 50.5 -4.0 28.6 393 634 A N T 3 S+ 0 0 81 -5,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.411 91.1 59.4 -86.8 2.8 53.0 -4.6 31.4 394 635 A F < + 0 0 9 -3,-1.4 -1,-0.2 34,-0.1 -198,-0.1 -0.910 42.1 160.2-139.8 110.2 52.7 -8.4 31.3 395 636 A S + 0 0 19 -2,-0.4 2,-0.5 -200,-0.1 -1,-0.1 0.443 48.4 107.6-104.2 -4.3 53.5 -10.6 28.3 396 637 A D > - 0 0 3 1,-0.1 4,-2.5 -201,-0.1 5,-0.2 -0.664 58.9-153.6 -81.6 121.6 53.9 -13.8 30.3 397 638 A E H > S+ 0 0 81 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.760 94.0 56.9 -68.6 -25.4 51.0 -16.2 29.7 398 639 A N H > S+ 0 0 53 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.931 109.9 44.0 -69.0 -46.6 51.5 -17.9 33.1 399 640 A V H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.951 116.8 46.3 -59.0 -51.0 51.2 -14.6 34.9 400 641 A R H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.800 105.3 62.0 -65.2 -30.0 48.2 -13.5 32.8 401 642 A A H X S+ 0 0 41 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.866 98.1 54.7 -65.8 -37.6 46.5 -17.0 33.2 402 643 A I H X S+ 0 0 4 -4,-1.3 4,-1.2 -3,-0.5 -1,-0.2 0.757 108.2 51.9 -69.3 -23.2 46.2 -16.6 37.0 403 644 A A H >X S+ 0 0 0 -4,-0.8 4,-1.5 -3,-0.3 3,-0.5 0.950 108.7 47.2 -72.2 -53.8 44.4 -13.4 36.3 404 645 A V H 3X S+ 0 0 6 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.771 106.6 64.1 -57.4 -25.5 42.0 -15.0 33.9 405 646 A Q H >< S+ 0 0 65 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.940 102.1 45.1 -62.1 -49.8 41.7 -17.6 36.7 406 647 A K H X< S+ 0 0 19 -4,-1.2 3,-1.1 -3,-0.5 -1,-0.2 0.784 105.5 62.8 -67.5 -27.5 40.2 -15.2 39.2 407 648 A L H >< S+ 0 0 1 -4,-1.5 3,-2.5 1,-0.2 -1,-0.2 0.785 85.0 76.5 -67.1 -27.5 37.8 -13.8 36.5 408 649 A E T << S+ 0 0 82 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.754 87.1 60.8 -54.8 -26.4 36.2 -17.3 36.2 409 650 A S T < S+ 0 0 82 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.3 0.372 79.1 114.2 -87.1 4.7 34.4 -16.6 39.5 410 651 A L < - 0 0 8 -3,-2.5 2,-0.2 4,-0.1 -3,-0.0 -0.607 64.4-134.0 -75.1 131.7 32.6 -13.5 38.0 411 652 A E >> - 0 0 58 -2,-0.3 4,-1.8 1,-0.1 3,-1.4 -0.575 31.2-101.9 -81.0 152.3 28.8 -13.9 37.6 412 653 A D H 3> S+ 0 0 48 1,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.750 120.8 64.6 -46.0 -28.9 27.3 -12.9 34.3 413 654 A D H 3> S+ 0 0 7 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.942 107.4 37.8 -60.4 -50.6 26.2 -9.7 36.0 414 655 A D H <> S+ 0 0 33 -3,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.788 108.7 63.3 -74.8 -29.3 29.8 -8.4 36.6 415 656 A V H X S+ 0 0 1 -4,-1.8 4,-0.9 1,-0.2 3,-0.2 0.901 101.6 52.1 -61.0 -40.4 31.0 -9.7 33.3 416 657 A L H < S+ 0 0 26 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.799 105.1 58.0 -63.4 -29.3 28.7 -7.3 31.6 417 658 A H H < S+ 0 0 35 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 121.6 22.8 -68.2 -37.9 30.2 -4.6 33.8 418 659 A Y H X S+ 0 0 25 -4,-1.5 4,-2.1 -3,-0.2 5,-0.2 0.229 90.6 108.4-116.0 12.4 33.7 -5.1 32.5 419 660 A L H X S+ 0 0 2 -4,-0.9 4,-2.6 1,-0.2 5,-0.2 0.930 77.4 51.8 -56.7 -51.9 33.1 -6.8 29.1 420 661 A L H > S+ 0 0 7 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.898 115.3 40.2 -53.3 -47.7 34.1 -3.8 27.0 421 662 A Q H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.759 111.8 55.8 -80.5 -25.6 37.5 -3.4 28.7 422 663 A L H < S+ 0 0 1 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.894 109.2 49.1 -66.1 -40.7 38.1 -7.1 28.9 423 664 A V H >< S+ 0 0 0 -4,-2.6 3,-0.9 -5,-0.2 4,-0.3 0.872 110.1 50.8 -64.2 -38.2 37.6 -7.2 25.2 424 665 A Q H >< S+ 0 0 11 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.795 100.0 65.1 -68.9 -28.1 40.0 -4.3 24.8 425 666 A A G >< S+ 0 0 1 -4,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.623 80.7 79.2 -72.4 -13.0 42.6 -6.1 26.9 426 667 A V G X S+ 0 0 1 -3,-0.9 3,-1.5 -4,-0.4 -1,-0.3 0.795 81.9 67.5 -62.6 -26.7 42.9 -8.8 24.2 427 668 A K G < S+ 0 0 5 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.721 93.9 57.8 -64.2 -21.7 45.1 -6.3 22.4 428 669 A F G < S+ 0 0 9 -3,-1.5 -1,-0.3 -38,-0.2 -2,-0.2 0.499 82.8 106.0 -88.9 -5.3 47.6 -6.8 25.2 429 670 A E < - 0 0 13 -3,-1.5 -34,-0.1 -4,-0.2 5,-0.1 -0.624 64.1-148.3 -78.4 129.0 47.8 -10.5 24.5 430 671 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.862 82.1 43.8 -62.5 -37.5 51.0 -11.6 22.8 431 672 A Y S S- 0 0 13 2,-0.1 -2,-0.0 1,-0.1 -177,-0.0 -0.798 79.0-127.3-114.4 153.7 49.2 -14.4 21.0 432 673 A H S S+ 0 0 13 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.880 102.6 61.3 -61.6 -39.8 45.9 -14.7 19.1 433 674 A D S S+ 0 0 37 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.824 74.8 151.3 -93.1 116.2 45.0 -17.7 21.3 434 675 A S > - 0 0 9 -2,-0.7 4,-2.6 1,-0.1 5,-0.3 -0.956 59.6-113.4-142.9 159.2 44.9 -16.8 24.9 435 676 A A H > S+ 0 0 48 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.847 121.2 51.8 -58.8 -34.2 43.2 -17.7 28.2 436 677 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 108.7 49.1 -68.2 -44.0 41.5 -14.3 28.1 437 678 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.935 113.5 45.4 -62.0 -49.0 40.3 -14.8 24.5 438 679 A R H X S+ 0 0 91 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.828 110.4 56.8 -63.2 -33.6 38.8 -18.3 25.3 439 680 A F H X S+ 0 0 3 -4,-1.6 4,-2.5 -5,-0.3 5,-0.3 0.967 107.9 44.7 -63.0 -55.0 37.3 -16.9 28.5 440 681 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.924 113.2 53.1 -52.5 -47.7 35.4 -14.2 26.6 441 682 A L H X S+ 0 0 2 -4,-2.2 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5,-0.6 0.913 107.9 43.9 -55.2 -46.8 41.2 3.5 28.5 779 1035 A L H X5S+ 0 0 4 -4,-1.9 4,-1.1 3,-0.2 7,-0.3 0.907 113.9 50.1 -66.1 -42.7 43.9 5.8 27.2 780 1036 A M H <5S+ 0 0 5 -4,-1.8 -504,-2.4 1,-0.2 -503,-0.3 0.790 124.5 25.0 -69.4 -30.0 46.1 3.0 25.8 781 1037 A T H <5S+ 0 0 12 -4,-2.0 -1,-0.2 -506,-0.2 -2,-0.2 0.545 133.2 28.2-114.3 -11.0 43.4 1.2 23.8 782 1038 A G H <5S+ 0 0 7 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.1 0.596 112.9 53.0-126.5 -19.3 40.8 3.8 23.0 783 1039 A M ><< + 0 0 16 -4,-1.1 3,-1.6 -5,-0.6 -1,-0.1 -0.695 52.1 176.3-128.1 79.5 42.4 7.2 22.9 784 1040 A P T 3 S+ 0 0 67 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.704 85.2 50.2 -54.5 -25.6 45.4 7.2 20.5 785 1041 A Q T 3 S+ 0 0 101 1,-0.2 2,-0.5 3,-0.0 -6,-0.1 0.643 107.3 55.4 -90.7 -17.2 46.0 10.9 21.0 786 1042 A L S < S+ 0 0 49 -3,-1.6 -1,-0.2 -7,-0.3 -3,-0.2 -0.684 70.7 114.3-115.3 76.4 46.0 10.7 24.8 787 1043 A T + 0 0 13 -2,-0.5 -513,-1.9 -3,-0.3 2,-0.1 -0.255 39.4 120.1-140.5 49.6 48.6 8.1 25.6 788 1044 A S S > S- 0 0 32 -515,-0.2 4,-1.0 -514,-0.1 5,-0.1 -0.444 71.9-107.2-104.7-178.6 51.5 9.8 27.4 789 1045 A K H > S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.885 121.1 41.2 -73.7 -41.3 53.1 9.3 30.8 790 1046 A E H 4 S+ 0 0 126 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.773 105.3 65.7 -79.2 -28.0 51.5 12.5 32.3 791 1047 A D H >4 S+ 0 0 60 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.904 109.8 37.7 -58.8 -42.4 48.2 11.9 30.6 792 1048 A I H >< S+ 0 0 11 -4,-1.0 3,-1.1 1,-0.2 4,-0.3 0.837 106.8 65.7 -78.2 -34.5 47.6 8.8 32.7 793 1049 A E T 3X S+ 0 0 49 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.324 81.5 83.4 -74.8 10.4 49.2 10.2 35.9 794 1050 A Y H <> S+ 0 0 87 -3,-0.6 4,-2.3 1,-0.2 3,-0.3 0.899 82.3 57.4 -75.1 -42.7 46.3 12.8 36.1 795 1051 A I H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.3 -1,-0.2 0.715 97.4 63.6 -66.7 -21.5 43.9 10.4 37.8 796 1052 A R H 4>S+ 0 0 43 -4,-0.3 5,-2.0 2,-0.2 -1,-0.2 0.966 109.2 38.6 -63.0 -53.2 46.4 9.9 40.7 797 1053 A D H ><5S+ 0 0 115 -4,-0.8 3,-2.0 -3,-0.3 -2,-0.2 0.913 113.0 57.5 -62.1 -44.7 46.2 13.6 41.6 798 1054 A A H 3<5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 111.1 42.2 -56.4 -38.1 42.5 13.7 41.0 799 1055 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.287 109.7-126.2 -92.3 9.5 41.9 10.9 43.5 800 1056 A T T < 5 - 0 0 12 -3,-2.0 3,-0.4 1,-0.1 -3,-0.2 0.911 30.6-149.2 44.0 56.1 44.3 12.5 45.9 801 1057 A V S - 0 0 104 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.400 33.2-117.3 -73.2 154.3 43.7 11.4 54.6 805 1061 A E H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.885 116.2 51.6 -58.7 -39.7 39.9 11.3 54.2 806 1062 A E H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.952 109.7 47.8 -61.5 -52.0 39.6 14.7 55.8 807 1063 A D H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.933 113.5 47.3 -55.3 -51.1 42.2 16.3 53.5 808 1064 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.920 108.6 55.6 -57.9 -46.8 40.6 14.8 50.3 809 1065 A K H X S+ 0 0 96 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.918 113.4 40.9 -49.9 -49.1 37.1 15.9 51.5 810 1066 A K H X S+ 0 0 114 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.880 108.6 61.2 -69.0 -39.9 38.4 19.5 51.8 811 1067 A Y H X S+ 0 0 74 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.909 109.6 41.3 -52.4 -46.8 40.4 19.2 48.5 812 1068 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.878 110.1 57.3 -71.0 -38.9 37.2 18.5 46.6 813 1069 A L H X S+ 0 0 39 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.836 105.1 53.1 -59.7 -33.2 35.3 21.2 48.5 814 1070 A D H X S+ 0 0 96 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.910 104.8 54.0 -65.6 -43.5 37.9 23.6 47.3 815 1071 A Q H X S+ 0 0 32 -4,-1.5 4,-1.1 1,-0.2 3,-0.2 0.897 107.7 51.2 -56.5 -42.0 37.3 22.4 43.8 816 1072 A I H >X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 3,-1.0 0.936 106.8 52.8 -59.1 -48.1 33.6 23.3 44.3 817 1073 A E H 3X S+ 0 0 71 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.755 101.3 61.8 -61.2 -25.5 34.5 26.7 45.6 818 1074 A V H 3X S+ 0 0 43 -4,-1.5 4,-1.1 -3,-0.2 -1,-0.3 0.843 101.7 51.4 -69.4 -33.4 36.5 27.3 42.4 819 1075 A C H < S+ 0 0 75 -4,-1.1 3,-2.4 1,-0.2 2,-0.2 0.799 79.8 167.2 -90.4 -33.4 34.4 31.5 38.4 823 1079 A G T 3< S- 0 0 17 -4,-1.8 4,-0.3 1,-0.3 3,-0.2 -0.353 74.2 -14.6 59.1-119.4 30.6 31.7 37.9 824 1080 A W T 3> S+ 0 0 42 -2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.434 110.0 103.7 -93.6 -2.0 29.8 32.1 34.2 825 1081 A T H <> S+ 0 0 78 -3,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.906 85.4 37.1 -48.1 -58.0 33.4 33.1 33.3 826 1082 A V H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.873 118.5 51.0 -67.0 -37.5 34.4 29.7 31.7 827 1083 A Q H > S+ 0 0 1 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.940 109.5 49.6 -63.4 -48.7 30.9 29.2 30.2 828 1084 A F H X S+ 0 0 90 -4,-3.8 4,-1.2 1,-0.2 -2,-0.2 0.882 111.3 50.9 -56.5 -39.9 31.0 32.7 28.7 829 1085 A N H X S+ 0 0 89 -4,-2.0 4,-1.7 -5,-0.3 3,-0.3 0.891 107.8 51.3 -65.2 -41.0 34.4 31.8 27.3 830 1086 A W H X>S+ 0 0 73 -4,-2.4 4,-2.3 1,-0.2 5,-0.9 0.867 106.3 57.2 -59.6 -36.0 33.0 28.6 25.9 831 1087 A F H <>S+ 0 0 20 -4,-2.3 5,-0.7 1,-0.2 -1,-0.2 0.808 106.4 48.2 -66.3 -31.2 30.4 30.8 24.3 832 1088 A L H <5S+ 0 0 86 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.847 121.0 34.5 -77.3 -35.5 33.0 32.8 22.5 833 1089 A H H <5S+ 0 0 147 -4,-1.7 -2,-0.2 3,-0.3 -3,-0.2 0.961 127.5 31.7 -83.2 -62.2 34.9 29.9 21.2 834 1090 A L T <5S+ 0 0 81 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.944 130.6 37.0 -65.8 -49.1 32.4 27.2 20.4 835 1091 A V T < 0 0 61 -5,-0.9 -3,-0.2 -4,-0.1 -1,-0.1 0.936 360.0 360.0 -70.5 -42.7 29.6 29.7 19.5 836 1092 A L < 0 0 158 -5,-0.7 -3,-0.3 -6,-0.2 -4,-0.2 0.636 360.0 360.0-131.5 360.0 32.1 32.0 17.8