==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-AUG-11 3TL5 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,C.WIESMANN . 845 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 68.3 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 . 103 12.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 56 6.6 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 . 293 34.7 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 3 2 3 0 0 4 1 1 4 0 2 1 0 2 2 1 1 0 0 0 0 1 0 1 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 3 5 1 2 4 1 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 1 2 1 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 1 143 A M 0 0 132 0, 0.0 5,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 169.6 32.0 19.3 1.5 2 144 A S > - 0 0 67 1,-0.1 4,-1.4 2,-0.1 5,-0.1 -0.337 360.0-122.1 -73.2 156.3 28.3 19.2 0.7 3 145 A E H > S+ 0 0 126 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.864 118.7 44.8 -61.8 -31.3 26.9 21.7 -1.9 4 146 A E H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.738 100.4 66.2 -80.5 -33.0 24.5 22.9 0.8 5 147 A S H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 107.4 44.4 -62.0 -30.6 27.3 22.9 3.3 6 148 A Q H X S+ 0 0 119 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.823 107.7 53.8 -80.1 -31.0 28.6 25.8 1.1 7 149 A A H X S+ 0 0 29 -4,-1.1 4,-0.6 1,-0.2 -2,-0.2 0.845 112.3 50.8 -68.3 -31.9 25.3 27.6 0.6 8 150 A F H >X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 3,-1.0 0.936 104.7 52.5 -63.3 -59.1 25.4 27.5 4.4 9 151 A Q H 3X S+ 0 0 19 -4,-1.8 4,-1.8 1,-0.3 -2,-0.2 0.795 106.5 54.8 -53.4 -28.6 28.9 28.9 4.9 10 152 A R H 3X S+ 0 0 150 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.758 105.5 52.8 -74.9 -28.0 28.0 31.9 2.7 11 153 A Q H S+ 0 0 32 -4,-1.8 4,-3.5 2,-0.2 5,-0.8 0.931 105.5 52.4 -59.2 -40.0 29.7 35.1 5.9 14 156 A A H <5S+ 0 0 60 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.858 113.8 44.4 -67.5 -30.8 26.8 37.6 5.4 15 157 A L H <5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.907 117.5 44.6 -77.2 -42.3 26.1 37.4 9.1 16 158 A I H <5S- 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.892 95.2-138.1 -67.2 -43.5 29.7 37.7 10.1 17 159 A G T <5S+ 0 0 49 -4,-3.5 2,-0.3 1,-0.2 -3,-0.2 0.591 79.0 75.9 85.1 14.1 30.6 40.5 7.6 18 160 A Y S - 0 0 61 -2,-0.3 3,-1.3 1,-0.1 -9,-0.1 -0.796 22.1-179.2-102.2 105.4 34.9 35.5 5.0 20 162 A V T 3 S+ 0 0 16 -2,-0.9 -1,-0.1 1,-0.3 467,-0.0 0.528 78.3 64.9 -86.5 -0.0 36.8 33.2 7.3 21 163 A T T 3 S+ 0 0 62 -12,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.529 79.6 107.1 -92.6 -3.0 37.4 30.5 4.7 22 164 A D < - 0 0 66 -3,-1.3 3,-0.2 1,-0.1 -3,-0.0 -0.603 46.4-178.7 -82.5 117.2 39.5 33.2 2.9 23 165 A V + 0 0 102 -2,-0.5 3,-0.5 1,-0.1 -1,-0.1 0.238 48.6 106.7-100.5 6.6 43.2 32.3 3.2 24 166 A S S S+ 0 0 82 1,-0.2 2,-0.6 3,-0.0 -1,-0.1 0.810 80.6 45.7 -58.2 -32.2 44.8 35.3 1.3 25 167 A N S S+ 0 0 9 -3,-0.2 2,-0.3 2,-0.0 265,-0.3 -0.605 91.7 88.8-121.5 72.6 46.1 37.1 4.4 26 168 A V - 0 0 42 -2,-0.6 263,-0.1 -3,-0.5 3,-0.0 -0.948 48.8-162.9-160.6 139.8 47.7 34.5 6.5 27 169 A H S S+ 0 0 61 -2,-0.3 2,-0.3 243,-0.0 -3,-0.0 0.132 80.7 19.5-102.1 7.2 51.3 33.1 6.7 28 170 A D S S- 0 0 41 1,-0.0 3,-0.2 0, 0.0 4,-0.2 -0.945 81.0 -97.8-161.7-176.5 50.1 30.1 8.6 29 171 A D S > S+ 0 0 57 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 0.254 77.0 111.6 -98.9 7.6 47.4 27.7 9.7 30 172 A E H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.893 79.5 47.4 -51.5 -50.4 46.6 29.2 13.2 31 173 A L H > S+ 0 0 20 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 115.1 44.9 -60.2 -42.3 43.1 30.5 12.3 32 174 A E H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 111.7 52.5 -72.0 -34.0 42.0 27.3 10.6 33 175 A F H X S+ 0 0 64 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.873 108.7 51.6 -63.2 -42.8 43.4 25.2 13.4 34 176 A T H X S+ 0 0 3 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.838 106.4 53.3 -66.4 -34.8 41.4 27.4 15.7 35 177 A R H X S+ 0 0 42 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.931 114.9 42.1 -59.6 -46.2 38.2 26.8 13.7 36 178 A R H >X S+ 0 0 127 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.837 111.8 55.5 -68.6 -40.2 38.8 23.1 14.0 37 179 A G H 3< S+ 0 0 19 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.806 104.2 53.1 -67.3 -23.4 39.7 23.5 17.7 38 180 A L H 3X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.587 85.6 84.7 -88.6 -9.8 36.5 25.2 18.6 39 181 A V H S+ 0 0 10 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.887 115.3 51.6 -54.3 -42.9 33.6 23.2 22.8 42 184 A R H >X S+ 0 0 9 -4,-2.5 4,-2.1 2,-0.2 3,-0.5 0.987 115.3 40.7 -54.6 -63.8 30.8 24.3 20.4 43 185 A M H 3X S+ 0 0 85 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.897 111.4 57.7 -56.7 -44.4 29.5 20.8 20.2 44 186 A A H 3X S+ 0 0 54 -4,-3.6 4,-1.3 -5,-0.2 -1,-0.2 0.897 110.4 41.8 -50.9 -43.9 30.0 20.1 23.9 45 187 A E H < S+ 0 0 37 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.886 112.0 49.8 -61.6 -42.7 25.0 22.5 22.5 47 189 A A H 3< S+ 0 0 84 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.859 111.8 46.8 -65.4 -36.1 25.0 18.9 23.7 48 190 A S H 3< S+ 0 0 82 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.2 0.525 89.0 103.4 -92.5 2.4 24.7 19.9 27.4 49 191 A R S << S- 0 0 30 -4,-0.7 3,-0.1 -3,-0.5 411,-0.0 -0.632 74.7-120.9 -94.7 134.2 22.0 22.5 27.2 50 192 A D > - 0 0 77 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.633 21.8-149.2 -66.4 122.9 18.4 21.9 28.2 51 193 A P H > S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.861 91.8 52.3 -65.1 -39.3 16.5 22.7 25.0 52 194 A K H > S+ 0 0 143 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.961 113.8 40.0 -66.0 -56.0 13.4 23.9 26.9 53 195 A L H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.876 113.8 55.1 -64.8 -32.2 15.2 26.4 29.1 54 196 A Y H < S+ 0 0 9 -4,-2.0 407,-0.3 1,-0.2 -1,-0.2 0.846 105.5 54.0 -68.2 -30.2 17.5 27.5 26.2 55 197 A A H < S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.0 36.4 -73.8 -36.3 14.4 28.2 24.1 56 198 A M H < S- 0 0 18 -4,-1.3 70,-0.7 -3,-0.2 -1,-0.2 0.503 87.3-156.0 -94.3 -14.8 12.8 30.5 26.8 57 199 A H < - 0 0 32 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.754 12.5-150.7 51.2 44.1 16.0 32.1 28.0 58 200 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.243 5.8-137.7 -53.1 136.5 14.7 33.1 31.5 59 201 A W + 0 0 68 67,-0.4 78,-1.7 403,-0.0 79,-0.4 -0.849 42.0 155.0-102.3 111.1 16.5 36.2 32.7 60 202 A V B -A 136 0A 41 -2,-0.7 2,-0.3 76,-0.2 76,-0.2 -0.711 29.8-151.7-135.5 175.4 17.3 35.7 36.4 61 203 A T - 0 0 1 74,-1.4 -2,-0.0 -2,-0.2 364,-0.0 -0.997 17.9-151.9-152.9 144.5 19.6 36.5 39.3 62 204 A S + 0 0 85 -2,-0.3 -1,-0.0 2,-0.1 73,-0.0 0.453 66.2 110.5 -90.8 -8.4 20.9 35.1 42.6 63 205 A K S S- 0 0 42 72,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.370 76.6-105.0 -67.2 150.7 21.3 38.4 44.3 64 206 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.514 46.1 -93.7 -72.5 142.1 19.1 39.5 47.2 65 207 A L - 0 0 5 -2,-0.2 5,-0.1 1,-0.1 70,-0.1 -0.406 50.3-109.8 -55.5 126.5 16.4 42.1 46.4 66 208 A P >> - 0 0 5 0, 0.0 4,-1.0 0, 0.0 3,-0.6 -0.175 22.6-115.4 -58.2 157.4 17.9 45.5 47.2 67 209 A E H >> S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.874 114.4 59.3 -63.6 -37.2 16.4 47.3 50.1 68 210 A Y H 34 S+ 0 0 38 563,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.768 110.0 45.4 -66.0 -23.9 15.1 50.1 48.0 69 211 A L H <4 S+ 0 0 7 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.646 105.6 58.7 -93.8 -11.4 13.0 47.5 46.1 70 212 A W H X< S+ 0 0 98 -4,-1.0 3,-2.1 -3,-0.5 6,-0.2 0.928 102.8 53.2 -79.6 -39.3 11.8 45.6 49.2 71 213 A K T 3< S+ 0 0 143 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.873 93.0 70.0 -60.0 -37.1 10.1 48.6 50.6 72 214 A K T 3 S+ 0 0 88 -4,-0.5 2,-0.6 1,-0.3 -1,-0.3 0.679 98.8 58.7 -64.2 -14.4 8.2 49.2 47.4 73 215 A I < + 0 0 15 -3,-2.1 -1,-0.3 -4,-0.2 3,-0.1 -0.885 66.2 170.5-107.3 101.8 6.5 46.0 48.6 74 216 A A S S+ 0 0 98 -2,-0.6 -3,-0.1 1,-0.2 -2,-0.1 0.033 73.8 44.4 -95.1 28.3 5.0 46.9 52.0 75 217 A N S S- 0 0 86 2,-0.2 -1,-0.2 -4,-0.0 3,-0.1 0.578 99.5-114.7-134.7 -24.2 3.0 43.7 52.2 76 218 A N S S+ 0 0 87 1,-0.3 2,-0.4 -6,-0.2 -2,-0.1 0.768 85.4 115.2 67.2 33.9 5.0 40.6 51.2 77 219 A C - 0 0 28 17,-0.2 2,-0.4 18,-0.1 -1,-0.3 -0.999 49.0-165.0-137.3 123.4 2.4 40.5 48.3 78 220 A I E -B 93 0B 7 15,-3.9 15,-3.6 -2,-0.4 2,-0.5 -0.917 14.0-138.7-110.7 144.2 3.1 40.9 44.6 79 221 A F E -B 92 0B 108 -2,-0.4 70,-0.7 13,-0.2 2,-0.5 -0.877 17.8-177.1-110.4 121.7 0.4 41.5 41.9 80 222 A I E -Bc 91 149B 10 11,-2.3 11,-0.9 -2,-0.5 2,-0.8 -0.965 16.2-150.3-116.0 121.4 0.5 39.8 38.5 81 223 A V E -Bc 90 150B 17 68,-2.5 70,-2.7 -2,-0.5 2,-0.6 -0.818 17.1-160.9 -92.7 114.5 -2.1 40.6 35.9 82 224 A I E -Bc 89 151B 2 7,-1.8 7,-1.8 -2,-0.8 2,-0.5 -0.853 5.7-167.4-100.3 123.8 -2.5 37.5 33.9 83 225 A H E -Bc 88 152B 25 68,-2.9 70,-2.2 -2,-0.6 5,-0.2 -0.935 25.6-178.8-115.2 123.2 -4.1 38.0 30.5 84 226 A R - 0 0 144 3,-1.0 -1,-0.1 -2,-0.5 4,-0.1 0.327 70.0 -98.3 -91.8 4.0 -5.3 35.1 28.4 85 227 A S S S+ 0 0 92 2,-0.1 3,-0.1 508,-0.0 -2,-0.1 0.446 111.3 51.2 93.6 3.0 -6.1 38.0 26.0 86 228 A T S S+ 0 0 127 1,-0.6 2,-0.4 0, 0.0 -3,-0.0 0.560 119.7 12.4-124.7 -56.1 -9.9 38.6 26.7 87 229 A T S S- 0 0 99 2,-0.0 -3,-1.0 -5,-0.0 -1,-0.6 -0.988 73.0-155.9-119.4 133.5 -10.4 38.9 30.5 88 230 A S E -B 83 0B 55 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.956 3.7-155.1-114.9 129.8 -7.2 39.3 32.6 89 231 A Q E -B 82 0B 86 -7,-1.8 -7,-1.8 -2,-0.5 2,-0.1 -0.899 9.2-141.4-110.3 124.9 -7.3 38.3 36.3 90 232 A T E -B 81 0B 59 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.371 15.8-157.7 -79.3 157.6 -4.9 39.8 38.8 91 233 A I E -B 80 0B 14 -11,-0.9 -11,-2.3 -2,-0.1 2,-0.5 -0.998 17.0-133.3-144.2 142.3 -3.3 37.8 41.5 92 234 A K E -B 79 0B 161 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.767 38.4-169.3 -91.8 118.1 -1.7 38.6 44.9 93 235 A V E -B 78 0B 4 -15,-3.6 -15,-3.9 -2,-0.5 -2,-0.0 -0.936 24.9-124.0-123.7 144.0 1.6 36.8 45.1 94 236 A S > - 0 0 39 -2,-0.4 3,-2.1 -17,-0.2 39,-0.2 -0.622 29.7-122.5 -79.3 140.9 4.3 35.9 47.6 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.4 0, 0.0 40,-0.2 0.681 110.2 55.5 -56.6 -18.0 7.8 37.0 46.7 96 238 A D T 3 S+ 0 0 108 36,-0.1 2,-0.1 37,-0.1 -2,-0.0 0.486 77.7 121.1 -96.0 -2.3 9.0 33.3 47.0 97 239 A D < - 0 0 47 -3,-2.1 36,-2.2 35,-0.1 37,-0.1 -0.361 55.8-138.4 -69.6 131.7 6.5 31.8 44.6 98 240 A T >> - 0 0 27 34,-0.2 4,-1.7 -2,-0.1 3,-0.5 -0.453 28.7-107.3 -80.6 162.7 7.9 29.9 41.6 99 241 A P H 3> S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.888 123.7 54.7 -53.3 -41.4 6.3 30.4 38.2 100 242 A G H 3> S+ 0 0 36 29,-0.3 4,-1.1 1,-0.2 5,-0.1 0.791 102.3 55.4 -64.2 -33.3 4.9 26.9 38.6 101 243 A A H <> S+ 0 0 22 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.872 112.4 42.6 -71.7 -36.8 3.4 27.8 41.9 102 244 A I H X S+ 0 0 5 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.902 113.1 50.8 -74.3 -38.5 1.5 30.6 40.3 103 245 A L H < S+ 0 0 23 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.751 114.4 47.9 -64.6 -24.7 0.5 28.6 37.3 104 246 A Q H >X S+ 0 0 119 -4,-1.1 4,-1.0 -5,-0.2 3,-0.7 0.906 115.1 42.1 -78.8 -46.3 -0.6 26.0 39.8 105 247 A S H 3X S+ 0 0 47 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.324 104.6 68.1 -84.8 2.4 -2.6 28.5 41.9 106 248 A F H 3< S+ 0 0 21 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.680 102.4 43.5 -88.9 -26.4 -4.0 30.2 38.8 107 249 A F H X4 S+ 0 0 79 -3,-0.7 3,-0.6 -4,-0.4 -2,-0.2 0.738 114.2 52.0 -87.2 -26.4 -6.1 27.2 37.8 108 250 A T H 3< S+ 0 0 104 -4,-1.0 2,-1.3 1,-0.2 3,-0.3 0.922 105.8 54.6 -63.8 -54.6 -7.2 26.9 41.4 109 251 A K T 3< S+ 0 0 117 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.1 -0.238 82.8 92.6 -79.4 46.9 -8.2 30.5 41.6 110 252 A M < 0 0 107 -2,-1.3 -1,-0.2 -3,-0.6 -2,-0.1 -0.127 360.0 360.0-122.0 37.1 -10.5 30.2 38.6 111 253 A A 0 0 145 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.0 0.623 360.0 360.0-120.1 360.0 -13.7 29.4 40.5 112 ! 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 0.0 113 267 A E 0 0 189 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.2 -3.1 21.4 30.2 114 268 A Q + 0 0 118 1,-0.2 2,-0.3 -10,-0.0 -11,-0.0 0.197 360.0 84.5 -89.0 8.0 -0.5 22.0 32.9 115 269 A D + 0 0 103 2,-0.0 2,-0.3 41,-0.0 -1,-0.2 -0.624 60.0 121.8-113.7 66.0 2.1 22.9 30.3 116 270 A F - 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0 0 55 -3,-1.5 3,-2.7 1,-0.1 4,-0.4 -0.812 62.8-170.9-126.9 92.0 47.2 36.6 48.9 358 586 A P G > S+ 0 0 30 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.829 86.0 63.3 -52.9 -33.7 45.0 36.5 45.8 359 587 A K G 3 S+ 0 0 95 1,-0.3 4,-0.2 2,-0.1 -2,-0.0 0.589 99.2 58.6 -66.5 -8.4 45.1 40.3 45.4 360 588 A A G X> S+ 0 0 0 -3,-2.7 4,-3.4 -6,-0.3 3,-0.5 0.591 76.8 93.3 -92.8 -11.1 48.9 39.9 44.9 361 589 A Y H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.4 5,-0.3 0.887 83.5 49.7 -56.2 -48.9 48.8 37.6 41.9 362 590 A P H 3> S+ 0 0 7 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.867 117.2 41.8 -59.7 -35.6 49.0 40.3 39.2 363 591 A K H X4 S+ 0 0 14 -3,-0.5 3,-0.5 -4,-0.2 4,-0.3 0.946 115.5 50.0 -76.0 -45.2 52.0 41.9 40.9 364 592 A L H >< S+ 0 0 0 -4,-3.4 3,-1.1 1,-0.3 -3,-0.2 0.880 111.5 47.9 -58.0 -38.8 53.6 38.6 41.7 365 593 A F H >< S+ 0 0 1 -4,-3.0 3,-0.7 1,-0.3 -1,-0.3 0.701 106.9 57.3 -81.1 -19.2 53.2 37.4 38.1 366 594 A S T << S+ 0 0 26 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.430 97.4 64.5 -80.3 -7.7 54.6 40.7 36.9 367 595 A S T < S+ 0 0 8 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.228 83.8 109.4 -94.3 6.0 57.7 39.8 39.1 368 596 A V < - 0 0 4 -3,-0.7 2,-1.0 -20,-0.0 3,-0.1 -0.680 67.9-137.3 -89.3 140.1 58.4 36.8 36.8 369 597 A K > + 0 0 118 -2,-0.3 3,-1.1 1,-0.2 7,-0.4 -0.835 24.5 178.5 -89.8 106.1 61.3 36.5 34.4 370 598 A W T 3 S+ 0 0 11 -2,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.661 73.3 70.8 -87.2 -12.3 59.4 35.0 31.6 371 599 A G T 3 S+ 0 0 12 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.420 88.2 75.1 -81.1 -0.3 62.7 35.0 29.6 372 600 A Q X> - 0 0 94 -3,-1.1 4,-2.6 1,-0.1 3,-0.5 -0.935 63.2-160.7-118.4 115.2 64.0 32.2 31.8 373 601 A Q H 3> S+ 0 0 97 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.863 94.8 56.3 -64.3 -38.8 62.8 28.7 31.3 374 602 A E H 3> S+ 0 0 145 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.899 112.2 42.6 -57.4 -40.7 64.0 27.7 34.8 375 603 A I H <> S+ 0 0 26 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.949 112.2 51.1 -74.5 -42.4 62.0 30.5 36.4 376 604 A V H X S+ 0 0 18 -4,-2.6 4,-2.1 -7,-0.4 5,-0.2 0.925 108.0 54.7 -56.6 -48.9 58.8 29.9 34.3 377 605 A A H X S+ 0 0 28 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.879 107.6 48.8 -49.2 -47.9 59.0 26.3 35.3 378 606 A K H X S+ 0 0 82 -4,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.850 106.7 58.0 -58.3 -37.1 59.0 27.3 39.0 379 607 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.905 108.0 45.9 -64.8 -40.0 56.1 29.6 38.2 380 608 A Y H X S+ 0 0 50 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.888 110.4 51.9 -68.7 -41.2 54.2 26.5 37.0 381 609 A Q H X S+ 0 0 97 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.939 111.3 50.0 -57.2 -44.3 55.2 24.5 40.0 382 610 A L H >< S+ 0 0 0 -4,-3.2 3,-1.0 1,-0.2 -2,-0.2 0.940 110.1 48.9 -59.7 -44.9 54.0 27.4 42.0 383 611 A L H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 94.5 75.8 -65.6 -29.9 50.7 27.4 40.1 384 612 A A H 3< S+ 0 0 80 -4,-2.2 2,-1.0 1,-0.2 -1,-0.3 0.859 93.3 53.4 -52.2 -39.1 50.3 23.7 40.7 385 613 A R << + 0 0 147 -3,-1.0 -1,-0.2 -4,-0.8 3,-0.2 -0.769 65.9 153.0-100.6 97.6 49.3 24.4 44.3 386 614 A R >> + 0 0 73 -2,-1.0 4,-1.9 1,-0.2 3,-1.3 0.311 20.4 127.9-104.0 5.4 46.5 26.8 43.7 387 615 A E H 3> S+ 0 0 143 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.758 75.9 45.3 -42.1 -45.5 44.5 26.0 46.9 388 616 A V H 34 S+ 0 0 55 -3,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.892 115.0 47.8 -67.7 -40.8 44.3 29.6 48.1 389 617 A W H X4 S+ 0 0 1 -3,-1.3 3,-1.4 1,-0.2 -2,-0.2 0.951 109.2 52.0 -65.2 -47.5 43.3 30.9 44.6 390 618 A D H 3< S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.858 112.8 44.6 -57.9 -38.6 40.6 28.2 43.9 391 619 A Q T 3< S+ 0 0 157 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.439 90.1 110.0 -88.2 -3.9 38.8 28.9 47.2 392 620 A S S < S- 0 0 27 -3,-1.4 2,-0.2 -4,-0.4 3,-0.1 -0.370 81.5 -97.4 -75.1 157.2 38.9 32.6 47.1 393 621 A A - 0 0 89 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.561 51.3-100.1 -63.2 136.0 35.8 34.7 46.5 394 622 A L - 0 0 45 -2,-0.2 2,-0.5 25,-0.1 3,-0.1 -0.395 37.5-163.7 -57.0 124.7 35.7 35.6 42.8 395 623 A D > - 0 0 61 1,-0.1 4,-3.5 -3,-0.1 5,-0.3 -0.947 3.3-165.2-115.2 107.1 37.1 39.2 42.4 396 624 A V H > S+ 0 0 25 -2,-0.5 4,-3.3 1,-0.3 5,-0.2 0.933 89.8 49.4 -62.2 -48.2 36.1 40.4 39.0 397 625 A G H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.860 114.3 46.3 -57.5 -33.4 38.4 43.3 39.1 398 626 A L H > S+ 0 0 6 2,-0.2 4,-1.1 -3,-0.2 3,-0.4 0.948 113.3 47.5 -72.7 -52.8 41.3 40.9 40.1 399 627 A T H >< S+ 0 0 0 -4,-3.5 3,-1.0 1,-0.2 4,-0.4 0.935 109.4 55.7 -51.4 -51.7 40.4 38.3 37.5 400 628 A M H >< S+ 0 0 0 -4,-3.3 3,-1.5 -5,-0.3 4,-0.3 0.861 98.6 61.5 -55.6 -29.4 40.2 41.0 34.9 401 629 A Q H >< S+ 0 0 19 -4,-1.1 3,-1.0 -3,-0.4 5,-0.3 0.849 99.5 55.4 -66.9 -31.1 43.7 42.2 35.7 402 630 A L T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.486 103.0 57.3 -78.4 -9.6 45.1 38.8 34.7 403 631 A L T < S+ 0 0 0 -3,-1.5 38,-0.3 -4,-0.4 -1,-0.2 0.375 88.9 99.3 -99.3 2.4 43.5 39.1 31.3 404 632 A D S X S- 0 0 13 -3,-1.0 3,-1.4 -4,-0.3 -3,-0.0 -0.012 93.5 -81.8 -82.2-169.0 45.1 42.4 30.2 405 633 A C T 3 S+ 0 0 6 1,-0.3 -1,-0.1 -201,-0.0 -3,-0.1 0.602 118.7 69.7 -72.5 -6.9 48.1 43.3 28.0 406 634 A N T 3 S+ 0 0 75 -5,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.410 90.5 62.8 -94.2 -2.0 50.5 42.6 30.8 407 635 A F < + 0 0 9 -3,-1.4 -1,-0.1 1,-0.1 -204,-0.1 -0.959 43.8 161.3-130.6 109.3 50.1 38.9 30.9 408 636 A S + 0 0 12 -2,-0.4 2,-0.3 34,-0.1 -1,-0.1 0.471 43.8 111.1-101.1 -5.2 51.0 36.7 27.9 409 637 A D > - 0 0 4 1,-0.1 4,-2.3 -207,-0.1 5,-0.2 -0.561 60.8-145.8 -79.1 130.6 51.2 33.4 29.8 410 638 A E H > S+ 0 0 83 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.827 98.4 46.4 -65.9 -31.3 48.5 30.8 29.0 411 639 A N H > S+ 0 0 52 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.907 110.6 51.5 -79.3 -44.2 48.4 29.3 32.5 412 640 A V H >> S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 3,-0.6 0.974 115.0 42.5 -53.0 -52.5 48.3 32.7 34.2 413 641 A R H 3X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.891 108.9 60.2 -65.5 -35.9 45.4 33.8 32.0 414 642 A A H 3X S+ 0 0 34 -4,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.777 99.5 54.5 -64.0 -34.0 43.6 30.5 32.3 415 643 A I H < S+ 0 0 51 -4,-2.2 3,-0.6 1,-0.3 4,-0.4 0.928 104.7 47.6 -54.5 -52.6 38.8 29.6 35.8 419 647 A K H >< S+ 0 0 16 -4,-1.9 3,-0.7 -3,-0.3 -1,-0.3 0.759 105.8 57.9 -65.3 -20.5 37.4 32.0 38.3 420 648 A L H >< S+ 0 0 1 -4,-1.3 3,-3.8 -3,-0.3 -1,-0.2 0.826 85.7 80.0 -76.5 -28.4 35.1 33.5 35.7 421 649 A E T << S+ 0 0 77 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.816 87.6 58.7 -50.7 -28.0 33.5 30.1 35.3 422 650 A S T < S+ 0 0 88 -3,-0.7 2,-0.4 -4,-0.4 -1,-0.3 0.503 79.3 112.2 -85.2 1.1 31.6 30.8 38.4 423 651 A L < - 0 0 11 -3,-3.8 2,-0.2 4,-0.1 -3,-0.0 -0.593 61.7-141.8 -73.4 125.3 29.9 33.9 37.0 424 652 A E >> - 0 0 67 -2,-0.4 4,-1.7 1,-0.1 3,-1.4 -0.521 31.1 -98.7 -78.3 153.8 26.2 33.4 36.5 425 653 A D H 3> S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.757 118.9 66.9 -50.1 -36.1 24.6 35.0 33.3 426 654 A D H 3> S+ 0 0 9 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.948 111.8 34.8 -49.2 -47.0 23.4 38.1 35.2 427 655 A D H <> S+ 0 0 37 -3,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.809 110.2 60.2 -82.2 -27.8 27.0 39.1 35.7 428 656 A V H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.3 7,-0.2 0.940 104.9 52.9 -65.3 -34.4 28.5 37.9 32.4 429 657 A L H < S+ 0 0 25 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.808 105.2 54.7 -63.2 -41.0 26.1 40.2 30.8 430 658 A H H < S+ 0 0 28 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.904 123.6 24.9 -55.3 -48.7 27.5 43.0 33.0 431 659 A Y H X S+ 0 0 19 -4,-1.9 4,-2.3 1,-0.1 5,-0.2 0.287 88.6 107.0-102.7 1.3 31.1 42.3 31.8 432 660 A L H X S+ 0 0 2 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.923 80.0 50.4 -51.1 -51.3 30.5 40.7 28.4 433 661 A L H > S+ 0 0 2 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.948 112.6 44.8 -55.5 -47.8 31.7 43.7 26.4 434 662 A Q H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 112.7 51.6 -68.2 -35.8 35.0 44.2 28.3 435 663 A L H X S+ 0 0 1 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.906 108.9 50.5 -64.3 -46.7 35.8 40.4 28.2 436 664 A V H >< S+ 0 0 0 -4,-2.5 3,-1.4 -5,-0.2 4,-0.4 0.925 111.1 49.1 -55.8 -45.5 35.3 40.2 24.5 437 665 A Q H >< S+ 0 0 4 -4,-2.3 3,-2.1 1,-0.3 4,-0.2 0.932 102.4 63.7 -63.4 -34.1 37.6 43.3 24.2 438 666 A A H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.3 4,-0.3 0.689 82.8 78.0 -59.6 -22.1 40.0 41.3 26.5 439 667 A V G X< S+ 0 0 1 -3,-1.4 3,-1.6 -4,-0.6 -1,-0.3 0.851 81.2 69.4 -57.5 -29.5 40.3 38.8 23.6 440 668 A K G < S+ 0 0 2 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.770 92.6 55.6 -58.2 -29.1 42.7 41.2 22.0 441 669 A F G < S+ 0 0 7 -3,-1.4 -1,-0.3 -38,-0.3 -2,-0.2 0.467 82.6 110.2 -85.9 -3.0 45.4 40.7 24.6 442 670 A E < - 0 0 14 -3,-1.6 -34,-0.1 -4,-0.3 -37,-0.0 -0.585 63.1-148.0 -76.2 125.1 45.4 36.9 24.0 443 671 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.927 80.8 42.5 -60.5 -38.9 48.6 35.7 22.3 444 672 A Y S S- 0 0 18 2,-0.1 -184,-0.0 1,-0.1 -2,-0.0 -0.757 79.1-126.2-114.3 151.3 46.8 32.9 20.4 445 673 A H S S+ 0 0 14 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.921 101.7 58.4 -60.2 -41.1 43.5 32.8 18.5 446 674 A D S S+ 0 0 38 -416,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.762 77.9 160.7 -90.7 116.1 42.2 29.8 20.4 447 675 A S > - 0 0 6 -2,-0.6 4,-2.8 1,-0.1 5,-0.2 -0.977 55.2-116.5-138.2 152.7 42.2 30.7 24.1 448 676 A A H > S+ 0 0 46 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 0.948 120.5 46.8 -46.8 -50.0 40.7 29.6 27.3 449 677 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.884 109.5 52.0 -62.0 -44.4 38.9 33.0 27.5 450 678 A A H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 110.6 49.7 -59.3 -39.2 37.8 32.8 23.9 451 679 A R H X S+ 0 0 79 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.747 107.6 53.4 -70.2 -32.0 36.3 29.4 24.6 452 680 A F H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 5,-0.2 0.870 108.3 48.9 -69.1 -43.0 34.5 30.7 27.8 453 681 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.909 111.8 54.1 -58.6 -41.6 32.8 33.5 25.8 454 682 A L H X S+ 0 0 2 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.938 111.3 41.0 -56.5 -55.3 32.0 30.6 23.3 455 683 A K H X S+ 0 0 63 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.951 114.8 51.1 -59.3 -49.6 30.3 28.4 25.9 456 684 A R H X S+ 0 0 7 -4,-2.4 4,-0.7 1,-0.2 8,-0.3 0.815 110.5 48.3 -59.7 -40.6 28.4 31.3 27.7 457 685 A G H < S+ 0 0 0 -4,-2.0 7,-0.7 -5,-0.2 -1,-0.2 0.876 115.1 45.6 -66.1 -44.1 27.0 32.7 24.4 458 686 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.780 109.0 55.8 -69.7 -30.1 25.8 29.3 23.4 459 687 A R H < S+ 0 0 97 -4,-2.2 2,-0.4 1,-0.2 -1,-0.2 0.680 117.0 32.0 -76.0 -22.1 24.4 28.4 26.7 460 688 A N X - 0 0 16 -4,-0.7 4,-3.1 -3,-0.2 -1,-0.2 -0.986 63.6-148.3-144.9 134.6 22.2 31.4 26.8 461 689 A K H > S+ 0 0 24 -2,-0.4 4,-2.7 -407,-0.3 5,-0.1 0.761 100.1 53.3 -71.6 -37.3 20.4 33.4 24.1 462 690 A R H > S+ 0 0 47 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.936 116.0 41.4 -68.4 -39.8 20.6 36.8 25.7 463 691 A I H > S+ 0 0 0 -7,-0.2 4,-3.1 1,-0.2 5,-0.3 0.970 114.6 52.1 -65.0 -50.0 24.4 36.3 26.1 464 692 A G H X S+ 0 0 0 -4,-3.1 4,-2.5 -7,-0.7 -2,-0.2 0.909 107.3 54.8 -49.8 -46.4 24.5 34.9 22.6 465 693 A H H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.959 113.9 36.8 -55.9 -48.5 22.7 37.9 21.3 466 694 A F H X S+ 0 0 26 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.929 113.0 58.9 -76.7 -37.6 25.0 40.5 22.6 467 695 A L H X S+ 0 0 1 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.930 106.2 51.0 -48.4 -50.3 28.1 38.3 22.0 468 696 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.965 112.9 42.4 -53.0 -59.8 27.1 38.3 18.4 469 697 A W H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.877 113.7 52.3 -61.9 -39.3 26.8 42.1 18.1 470 698 A F H X S+ 0 0 13 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.959 113.1 44.3 -59.7 -51.6 29.9 42.7 20.1 471 699 A L H X S+ 0 0 2 -4,-3.0 4,-2.4 -5,-0.3 3,-0.3 0.934 113.6 49.9 -60.6 -44.7 31.9 40.4 17.8 472 700 A R H X S+ 0 0 26 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.829 103.5 61.8 -64.6 -33.1 30.4 41.8 14.6 473 701 A S H X S+ 0 0 3 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.950 112.4 36.0 -53.3 -52.8 31.1 45.4 15.8 474 702 A E H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 8,-0.2 0.830 111.1 58.9 -69.2 -41.1 34.9 44.6 15.8 475 703 A I H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 110.1 45.7 -60.8 -36.2 34.9 42.3 12.8 476 704 A A H < S+ 0 0 47 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.839 125.1 29.8 -74.7 -38.0 33.5 45.2 10.7 477 705 A Q H < S+ 0 0 36 -4,-1.0 2,-0.5 -5,-0.2 -2,-0.2 0.367 105.9 69.0-111.5 6.1 35.8 47.9 12.1 478 706 A S X + 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.1 -0.892 37.2 175.0-130.5 111.1 39.2 46.2 13.0 479 707 A R T 4 S+ 0 0 135 -2,-0.5 4,-0.4 1,-0.2 -1,-0.2 0.856 88.2 61.7 -76.6 -26.7 41.5 44.9 10.4 480 708 A H T 4 S+ 0 0 34 1,-0.2 -191,-0.3 -3,-0.1 -1,-0.2 0.918 122.9 12.1 -61.0 -55.9 43.7 44.3 13.3 481 709 A Y T >> S+ 0 0 7 -7,-0.2 4,-1.9 1,-0.1 3,-0.8 0.516 97.5 100.1-104.5 -2.1 41.5 41.8 15.2 482 710 A Q H 3X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.3 5,-0.2 0.762 78.0 57.1 -57.8 -31.1 38.8 40.9 12.7 483 711 A Q H 3> S+ 0 0 11 -4,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.884 109.5 43.1 -66.7 -43.5 40.2 37.6 11.7 484 712 A R H <> S+ 0 0 6 -3,-0.8 4,-1.4 1,-0.2 3,-0.4 0.947 115.4 49.2 -71.3 -45.3 40.3 36.1 15.1 485 713 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.856 105.4 57.7 -56.2 -46.9 36.9 37.4 16.0 486 714 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.810 106.3 50.8 -54.1 -35.0 35.3 36.1 12.8 487 715 A V H X S+ 0 0 6 -4,-1.0 4,-1.8 -3,-0.4 -1,-0.2 0.835 112.2 46.0 -70.7 -35.7 36.5 32.6 13.8 488 716 A I H X S+ 0 0 5 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.854 112.6 49.1 -76.1 -37.0 34.9 33.0 17.2 489 717 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.937 111.5 50.0 -64.5 -45.9 31.7 34.3 15.8 490 718 A E H X S+ 0 0 6 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.896 107.5 54.3 -58.6 -46.3 31.6 31.4 13.2 491 719 A A H < S+ 0 0 3 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.932 112.0 44.8 -49.3 -54.5 32.1 29.1 16.1 492 720 A Y H >X S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 4,-1.1 0.890 107.9 55.7 -52.2 -55.6 29.1 30.6 17.9 493 721 A L H 3< S+ 0 0 1 -4,-2.8 4,-0.4 1,-0.3 -1,-0.2 0.806 99.7 60.5 -58.7 -31.3 26.7 30.7 14.9 494 722 A R T 3< S+ 0 0 37 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.673 114.5 36.4 -72.8 -11.2 27.2 27.0 14.3 495 723 A G T <4 S+ 0 0 0 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.623 94.1 80.1-111.3 -11.2 25.8 26.3 17.7 496 724 A C S < S- 0 0 0 -4,-1.1 4,-0.3 1,-0.2 -2,-0.1 0.620 93.7-106.9 -80.7 -20.0 23.0 28.9 18.5 497 725 A G > - 0 0 2 -4,-0.4 4,-2.0 2,-0.1 -334,-0.2 -0.127 23.5 -89.9 108.2 155.9 20.1 27.4 16.6 498 726 A T H > S+ 0 0 65 -335,-1.6 4,-1.7 2,-0.2 -336,-0.2 0.776 120.4 65.1 -74.9 -24.6 18.2 28.1 13.4 499 727 A A H > S+ 0 0 27 -338,-1.1 4,-1.9 2,-0.2 3,-0.5 0.987 110.1 34.9 -57.0 -54.1 15.8 30.3 15.4 500 728 A M H > S+ 0 0 9 -4,-0.3 4,-3.0 1,-0.3 5,-0.3 0.863 111.9 61.6 -71.5 -35.5 18.6 32.8 16.2 501 729 A L H X S+ 0 0 11 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.868 107.5 46.7 -55.3 -34.2 20.2 32.3 12.9 502 730 A H H X S+ 0 0 110 -4,-1.7 4,-2.1 -3,-0.5 -2,-0.2 0.897 110.6 49.6 -73.5 -49.5 16.9 33.6 11.5 503 731 A D H X S+ 0 0 25 -4,-1.9 4,-3.0 2,-0.2 53,-0.2 0.980 109.9 51.9 -52.8 -55.0 16.6 36.6 13.9 504 732 A F H X S+ 0 0 0 -4,-3.0 4,-4.0 1,-0.2 5,-0.2 0.870 107.6 51.8 -50.0 -43.7 20.3 37.7 13.1 505 733 A T H X S+ 0 0 44 -4,-1.4 4,-2.9 -5,-0.3 -1,-0.2 0.946 113.3 44.3 -64.5 -44.9 19.7 37.6 9.4 506 734 A Q H X S+ 0 0 31 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.879 115.4 47.7 -58.6 -48.5 16.6 39.8 9.8 507 735 A Q H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.957 113.3 49.4 -56.8 -56.5 18.4 42.1 12.1 508 736 A V H X S+ 0 0 8 -4,-4.0 4,-2.2 1,-0.2 -2,-0.2 0.860 109.0 51.5 -51.7 -47.4 21.3 42.2 9.7 509 737 A Q H X S+ 0 0 48 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.912 111.7 46.6 -56.5 -47.7 19.1 43.0 6.6 510 738 A V H X S+ 0 0 8 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.949 111.1 52.0 -62.0 -46.1 17.4 45.9 8.4 511 739 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.867 113.0 44.0 -62.0 -41.3 20.7 47.3 9.6 512 740 A E H X S+ 0 0 100 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.969 113.3 50.5 -67.0 -47.4 22.3 47.3 6.2 513 741 A M H X S+ 0 0 33 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.903 117.8 39.4 -56.4 -46.4 19.3 48.7 4.5 514 742 A L H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.865 110.8 56.3 -81.2 -18.2 19.1 51.5 7.0 515 743 A Q H X S+ 0 0 26 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.903 105.2 55.9 -77.5 -37.5 22.8 52.1 7.3 516 744 A K H X S+ 0 0 129 -4,-2.9 4,-2.1 2,-0.2 3,-0.3 0.941 110.0 43.1 -50.9 -50.8 22.6 52.6 3.5 517 745 A V H X S+ 0 0 7 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.889 107.8 62.1 -64.7 -38.6 20.0 55.3 3.9 518 746 A T H X S+ 0 0 1 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.855 110.5 37.3 -58.1 -39.6 21.8 56.8 6.8 519 747 A L H X S+ 0 0 69 -4,-1.7 4,-2.6 -3,-0.3 -1,-0.2 0.887 109.7 58.7 -79.9 -46.4 24.9 57.6 4.7 520 748 A D H X S+ 0 0 69 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.855 107.9 50.3 -54.6 -32.6 23.2 58.6 1.4 521 749 A I H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.867 108.0 51.4 -76.3 -34.0 21.4 61.3 3.4 522 750 A K H < S+ 0 0 54 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 107.6 54.5 -63.1 -43.9 24.6 62.6 4.9 523 751 A S H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.892 107.7 46.4 -62.8 -43.8 26.3 62.9 1.5 524 752 A L H < S+ 0 0 118 -4,-1.4 2,-0.2 -5,-0.2 -1,-0.2 0.871 114.2 47.0 -63.9 -40.0 23.6 65.1 -0.2 525 753 A S < - 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0 0 6 -3,-1.6 3,-1.7 1,-0.2 -3,-0.2 0.895 32.1-158.5 48.3 47.9 41.0 59.6 45.6 817 1057 A V T 3 < + 0 0 37 -5,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.382 69.6 21.7 -54.5 133.0 43.1 56.4 45.9 818 1058 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.399 96.2 107.1 93.8 -5.4 44.8 56.2 49.2 819 1059 A K S < S- 0 0 123 -3,-1.7 2,-0.3 1,-0.0 -1,-0.3 -0.423 71.4-106.8 -97.5-178.9 42.7 58.5 51.3 820 1060 A N >> - 0 0 75 -2,-0.1 4,-2.1 -3,-0.1 3,-0.8 -0.806 36.9-102.7-109.1 155.4 40.2 57.5 54.0 821 1061 A E H 3> S+ 0 0 75 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 0.732 120.0 60.1 -48.9 -27.7 36.5 57.7 53.4 822 1062 A E H 3> S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.949 105.9 41.4 -65.9 -54.2 36.5 60.9 55.5 823 1063 A D H <> S+ 0 0 94 -3,-0.8 4,-2.7 1,-0.2 -2,-0.2 0.897 116.3 55.0 -60.1 -40.8 38.9 63.0 53.4 824 1064 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.937 102.0 53.0 -58.2 -51.4 37.1 61.5 50.4 825 1065 A K H X S+ 0 0 82 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.893 114.1 45.3 -53.2 -41.4 33.6 62.6 51.4 826 1066 A K H X S+ 0 0 130 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.955 107.4 57.1 -64.5 -49.9 35.0 66.1 51.8 827 1067 A Y H X S+ 0 0 78 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.877 110.8 43.6 -49.5 -45.5 36.9 66.0 48.5 828 1068 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.918 110.7 54.2 -72.0 -44.0 33.7 65.3 46.6 829 1069 A L H X S+ 0 0 46 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.850 105.7 54.2 -56.2 -36.8 31.7 67.9 48.6 830 1070 A D H X S+ 0 0 58 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.902 101.4 58.7 -63.0 -40.0 34.2 70.5 47.6 831 1071 A Q H X S+ 0 0 24 -4,-1.4 4,-1.7 1,-0.3 -2,-0.2 0.931 103.0 52.7 -54.9 -46.1 33.7 69.5 44.0 832 1072 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.899 109.6 49.6 -55.1 -48.4 30.0 70.5 44.5 833 1073 A E H X S+ 0 0 81 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.911 106.2 55.1 -57.6 -43.7 31.3 73.8 45.9 834 1074 A V H X S+ 0 0 54 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.831 109.6 48.0 -57.0 -30.4 33.5 74.2 42.8 835 1075 A C H X S+ 0 0 1 -4,-1.7 4,-1.0 -3,-0.2 -1,-0.2 0.746 107.9 53.4 -81.1 -27.9 30.3 73.7 40.7 836 1076 A R H < S+ 0 0 46 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.710 108.7 51.8 -75.8 -29.3 28.4 76.2 42.7 837 1077 A D H < S+ 0 0 117 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.694 108.0 48.8 -79.0 -28.3 31.2 78.8 42.1 838 1078 A K H >< S+ 0 0 49 -4,-0.9 3,-3.5 1,-0.2 2,-0.2 0.788 78.0 167.1 -80.1 -34.6 31.4 78.4 38.3 839 1079 A G T 3< S- 0 0 19 -4,-1.0 4,-0.3 1,-0.3 -1,-0.2 -0.329 75.6 -16.8 57.0-121.7 27.6 78.8 38.0 840 1080 A W T 3> S+ 0 0 46 -2,-0.2 4,-2.4 1,-0.1 -1,-0.3 0.304 111.8 102.2 -93.7 6.8 27.0 79.3 34.3 841 1081 A T H <> S+ 0 0 67 -3,-3.5 4,-1.0 1,-0.2 -1,-0.1 0.936 84.3 42.8 -62.6 -42.8 30.6 80.2 33.5 842 1082 A V H >> S+ 0 0 24 -3,-0.2 4,-0.7 2,-0.2 3,-0.6 0.919 115.3 47.3 -65.0 -48.3 31.5 76.9 32.0 843 1083 A Q H >4 S+ 0 0 8 -4,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.931 105.7 61.2 -57.8 -47.7 28.3 76.4 30.0 844 1084 A F H 3< S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.764 93.7 65.6 -53.2 -38.1 28.5 79.9 28.6 845 1085 A N H X< S+ 0 0 67 -4,-1.0 3,-2.4 -3,-0.6 4,-0.4 0.852 74.6 91.2 -63.2 -39.9 32.0 79.3 26.8 846 1086 A W T << S+ 0 0 143 -3,-0.8 0, 0.0 -4,-0.7 0, 0.0 -0.323 88.8 35.8 -53.2 145.8 31.0 76.7 24.2 847 1087 A F T 3> S+ 0 0 113 -175,-0.0 4,-0.5 0, 0.0 -1,-0.3 0.207 89.2 101.3 90.5 -12.1 30.0 78.6 21.0 848 1088 A L T <4 S+ 0 0 84 -3,-2.4 3,-0.3 1,-0.2 -2,-0.1 0.909 93.9 31.0 -64.1 -42.4 32.8 81.1 21.8 849 1089 A H T 4 S+ 0 0 165 -4,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.456 93.5 99.4 -93.2 -3.7 35.0 79.5 19.2 850 1090 A L T 4 0 0 88 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.859 360.0 360.0 -51.4 -40.5 32.1 78.3 17.0 851 1091 A V < 0 0 168 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.260 360.0 360.0-170.7 360.0 32.7 81.3 14.7