==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-MAY-13 4KZC . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.S.KNAPP,E.A.ELLING . 821 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 50 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 2 2 1 3 3 1 1 3 1 2 1 1 3 0 1 0 0 0 0 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 6 2 2 3 2 3 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 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 1 144 A S > 0 0 131 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.1 30.6 -29.6 1.9 2 145 A E H > + 0 0 93 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.853 360.0 47.2 -69.3 -39.0 28.3 -27.3 -0.2 3 146 A E H > S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.799 105.1 62.1 -71.4 -31.5 26.4 -26.1 3.0 4 147 A S H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.762 100.7 53.5 -61.3 -35.8 29.9 -25.5 4.7 5 148 A Q H X S+ 0 0 67 -4,-0.8 4,-1.3 -3,-0.3 -1,-0.2 0.879 108.3 48.3 -68.9 -41.3 30.8 -22.9 2.1 6 149 A A H X S+ 0 0 53 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.724 108.6 56.8 -70.5 -26.4 27.6 -20.9 2.7 7 150 A F H X S+ 0 0 24 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.942 108.7 42.4 -71.6 -50.0 28.2 -21.1 6.5 8 151 A Q H X S+ 0 0 28 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.793 113.0 55.9 -65.7 -30.6 31.7 -19.4 6.4 9 152 A R H X S+ 0 0 65 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.857 110.2 45.0 -67.0 -38.7 30.2 -16.9 3.8 10 153 A Q H X S+ 0 0 80 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.923 112.9 50.8 -69.2 -48.4 27.5 -16.1 6.5 11 154 A L H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 3,-0.5 0.915 106.9 53.3 -55.4 -51.8 30.1 -15.8 9.3 12 155 A T H X>S+ 0 0 44 -4,-2.3 4,-3.3 1,-0.2 5,-0.7 0.857 105.7 53.7 -53.6 -44.8 32.5 -13.4 7.4 13 156 A A H <5S+ 0 0 66 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.5 43.3 -58.6 -40.0 29.6 -11.0 6.7 14 157 A L H <5S+ 0 0 3 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.711 118.4 44.7 -76.3 -28.6 28.9 -10.9 10.5 15 158 A I H <5S- 0 0 2 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.902 94.8-137.5 -81.6 -49.1 32.6 -10.6 11.4 16 159 A G T <5S+ 0 0 51 -4,-3.3 2,-0.3 1,-0.2 -3,-0.1 0.589 77.5 74.7 93.1 18.1 33.7 -8.0 8.8 17 160 A Y S - 0 0 44 -2,-0.3 3,-0.9 1,-0.2 -9,-0.1 -0.714 25.7-173.4 -83.3 100.4 37.7 -13.2 6.1 19 162 A V T 3 S+ 0 0 13 -2,-1.0 -1,-0.2 1,-0.2 15,-0.1 0.773 77.9 66.4 -64.1 -33.4 39.3 -15.4 8.7 20 163 A T T 3 S+ 0 0 83 -12,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.672 76.8 113.5 -63.6 -23.2 40.2 -18.1 6.1 21 164 A D < - 0 0 74 -3,-0.9 3,-0.0 1,-0.1 0, 0.0 -0.276 40.6-179.5 -58.0 131.6 42.7 -15.7 4.4 22 165 A V + 0 0 106 1,-0.1 3,-0.4 3,-0.1 -1,-0.1 -0.062 55.4 98.5-122.2 27.4 46.5 -16.7 4.6 23 166 A S S S+ 0 0 73 1,-0.2 2,-0.7 3,-0.0 -1,-0.1 0.932 80.9 46.7 -81.8 -49.4 47.9 -13.6 2.7 24 167 A N S S+ 0 0 10 2,-0.0 252,-0.4 252,-0.0 2,-0.3 -0.280 99.7 93.5 -91.7 47.2 49.0 -11.4 5.6 25 168 A V - 0 0 45 -2,-0.7 3,-0.1 -3,-0.4 -3,-0.1 -0.840 44.1-178.2-130.9 167.0 50.8 -14.2 7.5 26 169 A H S S+ 0 0 59 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.131 81.7 33.7-145.7 4.5 54.3 -15.7 7.9 27 170 A D S S- 0 0 31 220,-0.0 3,-0.3 0, 0.0 -1,-0.2 -0.924 80.4-114.9-153.3 169.9 53.2 -18.5 10.3 28 171 A D S > S+ 0 0 59 -2,-0.3 4,-3.0 1,-0.2 3,-0.3 0.157 73.7 120.0 -98.8 17.4 50.2 -20.7 11.1 29 172 A E H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 76.9 45.6 -47.2 -51.2 49.5 -19.1 14.5 30 173 A L H > S+ 0 0 20 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.821 115.3 45.6 -64.5 -38.5 46.0 -18.0 13.5 31 174 A E H > S+ 0 0 54 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.884 113.6 49.6 -73.2 -37.8 45.0 -21.3 11.9 32 175 A F H X S+ 0 0 63 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.873 113.9 47.4 -62.9 -40.7 46.5 -23.2 15.0 33 176 A T H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.865 108.1 54.6 -68.6 -41.1 44.4 -20.8 17.2 34 177 A R H < S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.907 116.3 38.1 -58.8 -44.5 41.3 -21.4 15.0 35 178 A R H >< S+ 0 0 133 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.810 112.6 59.1 -74.0 -37.1 41.6 -25.2 15.6 36 179 A G H 3< S+ 0 0 20 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.782 101.8 52.7 -64.1 -33.0 42.7 -24.7 19.2 37 180 A L T 3X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.518 88.5 81.2 -84.2 -5.2 39.5 -22.9 20.2 38 181 A V H <> S+ 0 0 53 -3,-0.9 4,-2.3 -4,-0.2 -1,-0.2 0.881 91.0 51.9 -65.7 -40.6 37.3 -25.7 18.8 39 182 A T H > S+ 0 0 111 -4,-0.5 4,-1.8 -3,-0.4 -2,-0.2 0.967 112.9 40.5 -64.8 -57.2 37.8 -27.8 22.0 40 183 A P H > S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.754 114.4 57.0 -65.8 -20.8 36.8 -25.1 24.6 41 184 A R H X S+ 0 0 27 -4,-1.3 4,-2.3 2,-0.2 3,-0.3 0.991 112.0 38.1 -66.4 -61.9 34.0 -24.0 22.3 42 185 A M H X S+ 0 0 54 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.724 114.0 60.0 -61.1 -26.4 32.3 -27.5 22.2 43 186 A A H X S+ 0 0 53 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.930 112.4 35.0 -67.9 -48.5 33.2 -27.9 26.0 44 187 A E H X S+ 0 0 20 -4,-1.8 4,-2.1 -3,-0.3 -2,-0.2 0.792 116.5 56.1 -76.2 -32.4 31.2 -24.8 27.0 45 188 A V H < S+ 0 0 28 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.945 112.7 41.1 -63.9 -50.6 28.4 -25.5 24.4 46 189 A A H < S+ 0 0 87 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.726 115.7 52.8 -72.3 -20.6 27.9 -29.1 25.7 47 190 A S H < S+ 0 0 96 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.913 87.4 93.0 -80.0 -45.1 28.1 -27.9 29.4 48 191 A R S < S- 0 0 33 -4,-2.1 390,-0.0 1,-0.1 389,-0.0 -0.156 83.3-108.3 -56.8 140.5 25.5 -25.0 29.4 49 192 A D > - 0 0 78 1,-0.1 4,-1.5 388,-0.1 5,-0.1 -0.496 23.2-147.6 -66.2 128.7 21.8 -25.6 30.4 50 193 A P H > S+ 0 0 83 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.922 95.1 45.3 -70.1 -41.5 19.6 -25.4 27.2 51 194 A K H > S+ 0 0 47 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.858 116.4 45.2 -67.0 -40.9 16.5 -24.0 29.0 52 195 A L H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.774 109.1 55.3 -76.4 -28.7 18.5 -21.4 31.0 53 196 A Y H < S+ 0 0 9 -4,-1.5 386,-0.3 2,-0.2 -1,-0.2 0.844 106.8 52.4 -69.9 -35.9 20.6 -20.3 28.0 54 197 A A H < S+ 0 0 13 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.783 120.2 32.5 -68.8 -32.5 17.4 -19.5 26.0 55 198 A M H < S- 0 0 23 -4,-0.9 62,-0.4 93,-0.1 -2,-0.2 0.664 86.6-159.4-101.2 -20.8 16.0 -17.3 28.8 56 199 A H < - 0 0 36 -4,-2.1 2,-0.6 1,-0.2 61,-0.4 0.903 12.2-144.6 40.4 71.9 19.3 -15.8 30.2 57 200 A P - 0 0 25 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 -0.516 5.8-141.1 -70.3 113.9 18.1 -14.7 33.8 58 201 A W + 0 0 56 -2,-0.6 70,-1.8 59,-0.5 71,-0.4 -0.645 38.7 164.0 -76.6 96.3 20.0 -11.4 34.7 59 202 A V B -A 127 0A 41 -2,-1.1 345,-0.4 68,-0.2 2,-0.3 -0.957 26.1-161.1-124.0 140.5 20.7 -12.0 38.4 60 203 A T - 0 0 2 66,-2.9 343,-0.0 -2,-0.4 -2,-0.0 -0.901 12.8-160.9-115.9 143.5 23.1 -10.4 40.9 61 204 A S + 0 0 82 -2,-0.3 -1,-0.1 2,-0.1 66,-0.1 0.307 60.2 116.1-103.0 5.5 24.2 -11.9 44.2 62 205 A K S S- 0 0 91 64,-0.2 -2,-0.1 1,-0.1 544,-0.0 -0.438 76.2-101.1 -69.2 142.3 25.2 -8.4 45.4 63 206 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.324 35.0-100.2 -70.3 155.5 23.1 -7.2 48.5 64 207 A L - 0 0 39 1,-0.1 5,-0.1 2,-0.0 62,-0.0 -0.590 48.0-120.0 -71.5 123.2 20.2 -4.8 48.1 65 208 A P > - 0 0 12 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.273 15.3-111.5 -68.7 162.4 21.6 -1.3 49.2 66 209 A E H > S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -2,-0.0 0.726 118.8 50.9 -60.7 -29.4 20.2 0.8 52.1 67 210 A Y H 4 S+ 0 0 85 2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.755 116.2 40.2 -79.9 -28.4 18.9 3.5 49.7 68 211 A L H 4 S+ 0 0 27 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.1 0.673 103.7 69.7 -90.4 -23.3 17.0 0.8 47.5 69 212 A W H < 0 0 189 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.772 360.0 360.0 -64.3 -32.4 15.9 -1.2 50.7 70 213 A K < 0 0 121 -4,-0.6 -3,-0.1 0, 0.0 -2,-0.1 0.628 360.0 360.0 -94.8 360.0 13.4 1.6 51.7 71 ! 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 72 218 A N 0 0 139 0, 0.0 18,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 170.3 8.9 -6.1 53.3 73 219 A C - 0 0 85 1,-0.2 2,-0.4 15,-0.0 17,-0.2 0.973 360.0-169.3 64.2 95.5 6.2 -7.2 50.7 74 220 A I E -B 89 0B 73 15,-2.7 15,-1.1 13,-0.0 -1,-0.2 -0.963 17.5-126.4-115.6 127.5 6.7 -5.5 47.3 75 221 A F E -B 88 0B 51 -2,-0.4 65,-0.4 13,-0.2 2,-0.3 -0.433 23.4-177.3 -81.5 147.0 3.9 -5.8 44.6 76 222 A I E -B 87 0B 12 11,-1.7 11,-2.3 -2,-0.1 2,-0.5 -0.921 21.4-131.7-134.5 154.6 4.2 -6.9 40.9 77 223 A V E -Bc 86 141B 19 63,-2.5 65,-2.9 -2,-0.3 2,-0.3 -0.918 16.0-157.9-120.3 108.4 1.5 -7.1 38.1 78 224 A I E -Bc 85 142B 28 7,-1.2 7,-1.2 -2,-0.5 2,-0.3 -0.663 11.5-159.5 -84.6 131.1 1.1 -10.4 36.1 79 225 A H E +Bc 84 143B 56 63,-1.3 65,-3.3 -2,-0.3 2,-0.2 -0.850 23.6 147.3-114.4 150.3 -0.5 -10.1 32.6 80 226 A R E > -B 83 0B 37 3,-0.9 3,-1.9 -2,-0.3 65,-0.1 -0.834 69.9 -19.8-173.4 145.5 -2.2 -12.7 30.3 81 227 A S T 3 S- 0 0 124 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 -0.295 127.6 -37.5 47.8-113.4 -5.2 -12.4 27.8 82 228 A T T 3 S+ 0 0 101 -3,-0.1 -1,-0.3 2,-0.0 2,-0.0 0.302 108.6 124.4-116.6 2.6 -7.0 -9.2 29.1 83 229 A T E < +B 80 0B 83 -3,-1.9 -3,-0.9 1,-0.0 2,-0.2 -0.325 32.7 176.5 -67.2 143.6 -6.3 -10.0 32.8 84 230 A S E +B 79 0B 88 -5,-0.2 2,-0.4 2,-0.0 -5,-0.2 -0.695 13.0 159.5-152.9 88.6 -4.4 -7.4 35.0 85 231 A Q E -B 78 0B 55 -7,-1.2 -7,-1.2 -2,-0.2 2,-0.2 -0.968 33.0-133.2-125.3 137.0 -4.0 -8.3 38.7 86 232 A T E -B 77 0B 100 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.566 20.6-163.9 -82.2 142.2 -1.6 -7.1 41.4 87 233 A I E -B 76 0B 47 -11,-2.3 -11,-1.7 -2,-0.2 2,-0.6 -0.997 19.3-130.2-133.8 126.9 0.1 -9.7 43.7 88 234 A K E -B 75 0B 85 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.681 33.8-171.5 -78.0 112.5 1.9 -9.0 47.1 89 235 A V E -B 74 0B 7 -15,-1.1 -15,-2.7 -2,-0.6 4,-0.1 -0.921 22.0-131.3-113.5 135.2 5.4 -10.7 46.8 90 236 A S - 0 0 51 -2,-0.4 34,-0.3 -17,-0.2 35,-0.1 -0.605 27.4-120.8 -76.4 138.6 8.0 -11.1 49.6 91 237 A P S S+ 0 0 18 0, 0.0 34,-1.8 0, 0.0 2,-1.3 0.885 109.0 63.8 -49.3 -40.6 11.5 -10.0 48.4 92 238 A D S S+ 0 0 124 31,-0.2 2,-0.3 32,-0.2 -2,-0.2 -0.706 79.2 123.2 -85.6 87.9 12.8 -13.6 49.1 93 239 A D - 0 0 17 -2,-1.3 31,-1.1 -4,-0.1 29,-0.1 -0.875 55.7-135.7-156.8 121.6 10.6 -15.4 46.5 94 240 A T >> - 0 0 37 -2,-0.3 4,-1.4 29,-0.2 3,-1.3 -0.517 23.0-127.9 -71.0 136.9 11.6 -17.7 43.5 95 241 A P T 34 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 26,-0.1 0.842 113.5 55.1 -56.8 -31.6 9.6 -17.0 40.3 96 242 A G T 34 S+ 0 0 57 24,-0.5 25,-0.1 1,-0.2 23,-0.0 0.714 109.1 46.6 -69.4 -25.7 8.7 -20.7 40.2 97 243 A A T <4 0 0 66 -3,-1.3 -1,-0.2 1,-0.1 24,-0.0 0.635 360.0 360.0 -88.2 -21.1 7.3 -20.3 43.7 98 244 A I < 0 0 25 -4,-1.4 3,-0.5 2,-0.1 -2,-0.2 0.849 360.0 360.0 -82.9 360.0 5.4 -17.1 42.6 99 ! 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 0.0 100 247 A S 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -14.2 0.9 -18.4 44.3 101 248 A F + 0 0 78 -3,-0.5 -3,-0.1 2,-0.2 -4,-0.0 0.774 360.0 49.5 -87.0 -32.7 -0.8 -17.7 40.9 102 249 A F 0 0 160 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.747 360.0 360.0 -75.2 -27.4 -2.7 -21.0 40.8 103 250 A T 0 0 162 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.927 360.0 360.0 -69.3 360.0 -3.9 -20.3 44.4 104 ! 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 0.0 105 268 A Q 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.9 2.9 -25.8 35.2 106 269 A D + 0 0 142 2,-0.0 2,-0.3 41,-0.0 0, 0.0 -0.343 360.0 112.9-136.1 54.7 5.1 -24.8 32.2 107 270 A F - 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0 0 14 1,-0.1 3,-0.5 4,-0.0 -1,-0.1 -0.021 34.2-103.8 -64.1 168.0 50.4 2.4 44.1 313 563 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.617 120.0 50.3 -75.3 -9.6 50.6 0.5 40.7 314 564 A L T 3 S+ 0 0 42 2,-0.1 475,-0.1 475,-0.1 474,-0.0 0.569 81.0 105.4-101.2 -12.7 52.3 3.6 39.0 315 565 A N S < S- 0 0 57 -3,-0.5 2,-0.3 1,-0.1 -4,-0.0 -0.533 75.3-123.9 -68.6 124.4 55.0 4.1 41.6 316 566 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.591 13.0-130.8 -82.1 137.7 58.3 2.9 40.0 317 567 A L - 0 0 30 -2,-0.3 2,-0.1 4,-0.1 -9,-0.0 -0.645 21.2-146.1 -82.1 134.6 60.5 0.2 41.6 318 568 A T > - 0 0 76 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.473 31.0-100.8 -93.4 169.7 64.2 0.9 41.8 319 569 A A H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 126.6 54.7 -55.3 -40.6 67.1 -1.6 41.5 320 570 A E H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.858 111.6 43.6 -59.1 -43.0 67.3 -1.5 45.4 321 571 A D H > S+ 0 0 25 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.946 113.7 49.2 -68.3 -53.4 63.5 -2.4 45.6 322 572 A K H X S+ 0 0 80 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.849 111.1 51.3 -54.0 -42.9 63.6 -5.1 42.9 323 573 A E H X S+ 0 0 138 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.873 112.0 46.0 -64.4 -41.6 66.7 -6.7 44.6 324 574 A L H X S+ 0 0 20 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.897 111.8 51.1 -68.4 -44.7 65.0 -6.8 48.1 325 575 A L H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.846 113.4 45.6 -61.8 -38.3 61.7 -8.2 46.6 326 576 A W H >< S+ 0 0 36 -4,-1.9 3,-1.2 -5,-0.2 -2,-0.2 0.896 112.4 49.6 -72.5 -43.4 63.6 -11.0 44.9 327 577 A H H 3< S+ 0 0 138 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.888 121.6 35.1 -62.7 -41.0 65.8 -11.9 47.9 328 578 A F T 3X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 3,-0.4 -0.277 79.8 131.8-107.6 43.7 62.7 -12.1 50.2 329 579 A R H <> S+ 0 0 38 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.755 70.0 54.4 -65.4 -31.2 60.4 -13.5 47.5 330 580 A Y H 4 S+ 0 0 111 -3,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.763 111.8 44.5 -76.4 -25.3 59.0 -16.3 49.8 331 581 A E H >4 S+ 0 0 27 -3,-0.4 3,-0.9 2,-0.2 4,-0.3 0.862 112.5 53.0 -80.2 -40.0 58.1 -13.6 52.3 332 582 A S H >< S+ 0 0 0 -4,-2.1 3,-1.6 -7,-0.3 6,-0.3 0.822 97.5 66.9 -60.9 -38.4 56.6 -11.5 49.5 333 583 A L T 3< S+ 0 0 13 -4,-1.7 -1,-0.2 1,-0.3 34,-0.2 0.730 88.8 65.0 -58.0 -28.8 54.5 -14.5 48.3 334 584 A K T < S+ 0 0 56 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.729 95.2 67.3 -66.9 -25.3 52.4 -14.3 51.5 335 585 A H X - 0 0 51 -3,-1.6 3,-1.4 -4,-0.3 4,-0.5 -0.882 65.7-166.3-100.8 109.9 51.1 -10.9 50.4 336 586 A P G > S+ 0 0 36 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.840 88.9 63.6 -64.9 -28.7 48.9 -11.1 47.2 337 587 A K G 3 S+ 0 0 55 1,-0.2 4,-0.3 2,-0.1 -5,-0.0 0.573 97.1 59.3 -68.3 -11.5 49.2 -7.3 46.7 338 588 A A G X> S+ 0 0 0 -3,-1.4 4,-2.9 -6,-0.3 3,-0.5 0.664 78.0 93.0 -89.1 -22.4 52.9 -7.8 46.2 339 589 A Y H <> S+ 0 0 1 -3,-1.1 4,-2.2 -4,-0.5 5,-0.2 0.817 86.4 44.8 -45.7 -47.9 52.5 -10.2 43.1 340 590 A P H 34 S+ 0 0 1 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.890 118.0 45.4 -67.6 -34.5 52.7 -7.5 40.4 341 591 A K H X4 S+ 0 0 14 -3,-0.5 3,-0.5 -4,-0.3 4,-0.3 0.880 113.6 50.0 -70.1 -41.8 55.8 -5.9 42.1 342 592 A L H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.863 110.8 47.5 -66.1 -41.0 57.4 -9.3 42.7 343 593 A F T 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.512 107.9 56.9 -83.6 -0.7 57.0 -10.4 39.0 344 594 A S T < S+ 0 0 39 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.464 100.3 60.6 -97.9 -9.6 58.4 -7.0 37.9 345 595 A S S < S+ 0 0 11 -3,-0.9 2,-0.4 -4,-0.3 -2,-0.2 0.252 82.9 111.7 -98.2 5.7 61.5 -7.8 40.0 346 596 A V S S- 0 0 12 -3,-0.2 2,-1.4 1,-0.0 3,-0.1 -0.706 70.2-133.9 -89.4 132.2 62.3 -11.0 37.9 347 597 A K > + 0 0 130 -2,-0.4 3,-1.1 1,-0.2 7,-0.4 -0.724 29.0 179.2 -81.9 88.5 65.4 -11.1 35.6 348 598 A W T 3 S+ 0 0 23 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.682 72.0 70.1 -69.9 -17.3 63.4 -12.5 32.7 349 599 A G T 3 S+ 0 0 15 -3,-0.1 2,-0.4 -128,-0.1 -1,-0.3 0.206 89.9 75.6 -83.1 13.7 66.6 -12.6 30.5 350 600 A Q <> - 0 0 79 -3,-1.1 4,-2.3 1,-0.1 5,-0.2 -0.981 64.8-157.5-132.9 117.5 67.9 -15.5 32.7 351 601 A Q H > S+ 0 0 114 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.860 96.8 52.7 -57.8 -42.9 66.6 -19.1 32.4 352 602 A E H > S+ 0 0 62 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.885 111.0 45.7 -61.7 -45.1 67.8 -20.0 36.0 353 603 A I H > S+ 0 0 15 2,-0.2 4,-1.6 -6,-0.2 3,-0.5 0.941 113.6 49.7 -63.8 -49.1 65.9 -17.0 37.5 354 604 A V H X S+ 0 0 20 -4,-2.3 4,-1.5 -7,-0.4 3,-0.3 0.899 108.3 53.8 -55.6 -46.3 62.7 -17.8 35.4 355 605 A A H X S+ 0 0 57 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.808 107.1 51.7 -59.3 -34.7 62.9 -21.5 36.5 356 606 A K H X S+ 0 0 88 -4,-1.3 4,-1.7 -3,-0.5 -1,-0.2 0.840 107.0 52.7 -70.8 -37.4 63.0 -20.3 40.2 357 607 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.3 -2,-0.2 0.785 106.1 54.0 -68.0 -32.8 59.8 -18.1 39.7 358 608 A Y H X S+ 0 0 85 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.849 110.3 45.7 -69.7 -36.5 57.9 -21.1 38.2 359 609 A Q H X S+ 0 0 116 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.833 112.3 52.5 -70.4 -37.6 58.8 -23.1 41.4 360 610 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 108.1 51.5 -65.5 -37.7 57.7 -20.0 43.4 361 611 A L H >< S+ 0 0 9 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.828 98.7 64.1 -69.4 -36.0 54.4 -20.1 41.4 362 612 A A H 3< S+ 0 0 76 -4,-1.4 2,-1.1 1,-0.3 3,-0.4 0.872 97.0 58.4 -55.2 -38.9 53.8 -23.8 42.2 363 613 A R T 3< + 0 0 169 -4,-1.0 3,-0.3 1,-0.2 -1,-0.3 -0.325 68.3 135.3 -85.2 48.0 53.5 -22.7 45.9 364 614 A R X + 0 0 92 -2,-1.1 3,-2.6 -3,-0.6 -1,-0.2 0.915 23.2 128.4 -61.2 -46.6 50.6 -20.3 44.9 365 615 A E T 3> S+ 0 0 61 -3,-0.4 4,-1.0 1,-0.3 -1,-0.2 -0.008 72.7 37.1 29.4 -81.7 48.5 -21.5 48.0 366 616 A V H 3> S+ 0 0 55 -3,-0.3 4,-1.4 1,-0.2 3,-0.4 0.859 115.5 55.7 -59.0 -43.5 47.6 -18.1 49.6 367 617 A W H <4 S+ 0 0 3 -3,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.885 109.1 47.2 -54.7 -48.0 47.1 -16.5 46.1 368 618 A D H 4 S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.702 115.7 45.9 -68.3 -24.1 44.5 -19.3 45.2 369 619 A Q H < S+ 0 0 163 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.602 90.4 114.0 -92.3 -18.0 42.8 -18.8 48.6 370 620 A S S < S- 0 0 25 -4,-1.4 2,-0.4 -3,-0.3 3,-0.1 -0.182 78.2-104.8 -57.5 145.3 42.7 -14.9 48.4 371 621 A A - 0 0 97 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.616 55.0 -92.6 -73.7 124.2 39.4 -12.9 48.1 372 622 A L - 0 0 56 -2,-0.4 2,-0.5 25,-0.1 -1,-0.1 -0.162 42.7-172.6 -46.9 121.2 39.2 -11.8 44.4 373 623 A D > - 0 0 88 1,-0.1 4,-2.1 -3,-0.1 3,-0.3 -0.970 7.6-167.4-120.6 105.8 40.7 -8.3 43.8 374 624 A V H > S+ 0 0 23 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.837 88.0 55.4 -62.9 -37.9 40.0 -7.2 40.2 375 625 A G H > S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.803 113.0 42.1 -64.7 -33.7 42.4 -4.3 40.4 376 626 A L H > S+ 0 0 22 -3,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.824 114.1 53.0 -79.8 -38.2 45.2 -6.7 41.4 377 627 A T H >< S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.923 110.9 44.5 -63.7 -50.2 44.1 -9.3 38.8 378 628 A M H >< S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.2 4,-0.2 0.753 100.7 68.5 -71.2 -23.3 44.1 -6.9 35.8 379 629 A Q H >< S+ 0 0 20 -4,-0.7 3,-0.8 1,-0.3 5,-0.2 0.859 100.5 50.5 -61.3 -33.6 47.5 -5.4 36.9 380 630 A L T << S+ 0 0 0 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.433 106.2 57.3 -81.5 -3.5 48.9 -8.9 35.9 381 631 A L T < S+ 0 0 0 -3,-1.6 38,-0.2 -4,-0.1 -1,-0.2 0.270 89.1 96.8-110.9 9.1 47.1 -8.6 32.5 382 632 A D S X S- 0 0 9 -3,-0.8 3,-1.3 -4,-0.2 -3,-0.0 -0.102 95.4 -80.7 -86.7-172.3 48.7 -5.3 31.3 383 633 A C T 3 S+ 0 0 5 1,-0.2 -3,-0.1 -195,-0.0 -1,-0.0 0.565 119.5 70.1 -65.5 -18.2 51.7 -4.6 29.0 384 634 A N T 3 S+ 0 0 69 -5,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.608 91.7 65.8 -77.2 -16.1 54.3 -5.2 31.8 385 635 A F < + 0 0 6 -3,-1.3 -1,-0.1 1,-0.1 -197,-0.1 -0.938 42.4 156.2-119.2 112.0 53.6 -8.9 31.9 386 636 A S + 0 0 20 -2,-0.5 2,-0.5 34,-0.1 -1,-0.1 0.301 44.0 114.1-107.9 1.5 54.5 -11.1 28.9 387 637 A D > - 0 0 4 1,-0.1 4,-2.3 -200,-0.1 5,-0.2 -0.698 57.1-152.0 -84.8 122.5 54.7 -14.4 30.9 388 638 A E H > S+ 0 0 69 -2,-0.5 4,-1.7 -165,-0.3 38,-0.1 0.849 96.8 44.6 -55.5 -44.7 52.1 -17.0 30.1 389 639 A N H > S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.834 112.3 50.8 -73.3 -37.4 52.1 -18.6 33.6 390 640 A V H > S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.907 114.8 44.0 -66.0 -44.2 52.1 -15.2 35.4 391 641 A R H >X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 3,-0.9 0.852 106.5 62.5 -68.7 -36.4 49.1 -14.1 33.3 392 642 A A H 3X S+ 0 0 41 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.817 97.9 55.6 -58.6 -37.1 47.4 -17.5 33.8 393 643 A I H 3X S+ 0 0 1 -4,-1.2 4,-0.9 -3,-0.3 -1,-0.2 0.742 107.3 51.0 -69.9 -24.5 47.1 -17.0 37.6 394 644 A A H XX S+ 0 0 0 -3,-0.9 4,-1.1 -4,-0.5 3,-1.0 0.962 110.4 46.6 -74.7 -51.6 45.2 -13.7 37.0 395 645 A V H 3X S+ 0 0 4 -4,-1.9 4,-0.7 1,-0.3 3,-0.4 0.841 106.1 62.6 -55.7 -37.7 42.7 -15.4 34.6 396 646 A Q H >< S+ 0 0 63 -4,-2.0 3,-0.7 1,-0.2 4,-0.3 0.858 104.0 47.1 -54.3 -43.0 42.4 -18.2 37.3 397 647 A K H X< S+ 0 0 17 -3,-1.0 3,-0.8 -4,-0.9 -1,-0.2 0.750 101.8 65.0 -73.9 -26.0 41.0 -15.5 39.7 398 648 A L H >< S+ 0 0 3 -4,-1.1 3,-1.4 -3,-0.4 -1,-0.2 0.670 85.1 74.9 -69.9 -20.4 38.6 -14.1 37.1 399 649 A E T << S+ 0 0 80 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.830 86.7 61.2 -61.2 -35.9 36.7 -17.5 37.1 400 650 A S T < S+ 0 0 83 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.2 0.517 80.9 104.9 -71.0 -8.4 35.1 -16.7 40.5 401 651 A L S < S- 0 0 5 -3,-1.4 2,-0.1 -4,-0.1 -3,-0.0 -0.625 71.8-132.1 -75.6 128.5 33.3 -13.6 39.0 402 652 A E >> - 0 0 71 -2,-0.4 3,-1.8 1,-0.1 4,-1.5 -0.501 33.1 -95.3 -78.8 153.1 29.6 -14.2 38.4 403 653 A D H 3> S+ 0 0 48 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.658 124.1 57.9 -39.4 -33.9 28.2 -13.2 34.9 404 654 A D H 3> S+ 0 0 14 -345,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.890 110.3 42.9 -67.4 -41.4 27.0 -9.7 36.2 405 655 A D H <> S+ 0 0 39 -3,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.798 109.5 57.6 -73.1 -32.3 30.6 -8.8 37.3 406 656 A V H >X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 3,-0.6 0.913 104.8 52.7 -64.2 -40.4 32.0 -10.3 34.0 407 657 A L H 3< S+ 0 0 23 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.834 102.9 58.8 -61.2 -37.3 29.8 -7.8 32.1 408 658 A H H 3< S+ 0 0 34 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 119.8 27.0 -61.6 -37.2 31.2 -4.9 34.2 409 659 A Y H S+ 0 0 6 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.908 117.4 43.4 -60.1 -44.8 35.1 -4.2 27.6 412 662 A Q H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 115.2 49.6 -67.7 -38.0 38.3 -3.7 29.6 413 663 A L H < S+ 0 0 0 -4,-3.1 4,-0.5 2,-0.2 -2,-0.2 0.830 109.5 51.9 -67.8 -38.0 39.0 -7.5 29.5 414 664 A V H >< S+ 0 0 0 -4,-2.5 3,-0.9 -5,-0.2 4,-0.2 0.904 112.5 45.1 -66.2 -42.1 38.4 -7.5 25.7 415 665 A Q H >< S+ 0 0 5 -4,-2.0 3,-1.5 1,-0.2 4,-0.2 0.794 101.7 67.9 -70.6 -29.2 40.9 -4.7 25.3 416 666 A A G >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.680 82.9 74.9 -63.6 -19.5 43.3 -6.5 27.7 417 667 A V G X S+ 0 0 2 -3,-0.9 3,-1.7 -4,-0.5 -1,-0.3 0.779 81.1 70.1 -63.2 -28.8 43.7 -9.2 24.9 418 668 A K G < S+ 0 0 5 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.739 95.2 55.3 -60.4 -25.0 46.0 -6.7 23.0 419 669 A F G < S+ 0 0 9 -3,-1.4 -1,-0.3 -38,-0.2 -2,-0.2 0.493 83.5 103.4 -87.2 -8.4 48.6 -7.3 25.8 420 670 A E < - 0 0 10 -3,-1.7 -34,-0.1 -4,-0.2 5,-0.0 -0.579 64.8-147.9 -75.6 135.7 48.7 -11.1 25.3 421 671 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.917 79.9 44.2 -71.9 -41.7 51.8 -12.2 23.4 422 672 A Y S S- 0 0 10 2,-0.1 -175,-0.0 1,-0.1 -2,-0.0 -0.724 80.9-126.0-103.8 151.6 50.2 -15.2 21.5 423 673 A H S S+ 0 0 13 -2,-0.3 2,-0.4 1,-0.0 5,-0.1 0.969 100.2 58.1 -58.8 -58.2 46.8 -15.3 19.8 424 674 A D S S+ 0 0 24 -395,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.644 77.8 149.5 -77.8 122.3 45.5 -18.4 21.7 425 675 A S > - 0 0 11 -2,-0.4 4,-2.1 -4,-0.1 5,-0.2 -0.946 60.9-104.5-149.3 165.4 45.6 -17.5 25.4 426 676 A A H > S+ 0 0 43 -2,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.823 121.8 48.6 -61.8 -35.9 43.8 -18.3 28.8 427 677 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.920 110.7 49.4 -70.3 -46.5 42.1 -14.8 28.7 428 678 A A H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.859 114.2 46.7 -59.6 -38.2 40.9 -15.3 25.0 429 679 A R H X S+ 0 0 74 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.820 111.6 51.9 -71.1 -36.4 39.6 -18.8 26.0 430 680 A F H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.943 108.7 48.2 -65.5 -52.5 37.9 -17.3 29.1 431 681 A L H X S+ 0 0 4 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.837 113.3 50.7 -57.1 -35.8 36.0 -14.5 27.2 432 682 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.930 112.8 44.6 -66.1 -49.9 35.0 -17.3 24.7 433 683 A K H X S+ 0 0 52 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.928 115.2 47.0 -60.6 -51.4 33.7 -19.5 27.6 434 684 A R H X S+ 0 0 5 -4,-3.0 4,-1.5 1,-0.2 8,-0.2 0.779 113.7 48.5 -64.3 -32.2 31.8 -16.7 29.5 435 685 A G H < S+ 0 0 0 -4,-1.5 7,-0.7 -5,-0.3 -1,-0.2 0.916 110.8 49.1 -72.5 -47.4 30.2 -15.4 26.2 436 686 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.632 112.5 51.3 -66.2 -19.4 29.0 -18.9 25.1 437 687 A R H < S+ 0 0 85 -4,-1.0 2,-0.5 1,-0.2 -1,-0.2 0.880 113.8 37.7 -85.6 -47.8 27.5 -19.5 28.6 438 688 A N X - 0 0 20 -4,-1.5 4,-2.2 1,-0.1 -1,-0.2 -0.964 68.2-148.5-116.1 123.2 25.4 -16.2 29.0 439 689 A K H > S+ 0 0 13 -2,-0.5 4,-2.0 -386,-0.3 -1,-0.1 0.806 98.4 53.3 -54.5 -40.2 23.5 -14.7 26.1 440 690 A R H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 110.4 45.8 -64.0 -50.4 24.0 -11.1 27.4 441 691 A I H > S+ 0 0 0 1,-0.2 4,-2.5 -7,-0.2 -2,-0.2 0.898 113.5 51.4 -57.8 -44.0 27.8 -11.4 27.7 442 692 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -7,-0.7 -1,-0.2 0.856 106.4 53.8 -60.9 -41.1 27.9 -13.0 24.2 443 693 A H H X S+ 0 0 6 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.921 114.5 39.9 -59.6 -51.3 25.9 -10.1 22.7 444 694 A F H X S+ 0 0 22 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.853 111.2 58.7 -69.2 -33.6 28.3 -7.5 24.0 445 695 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.879 105.2 51.3 -60.6 -41.4 31.3 -9.7 23.2 446 696 A F H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.970 114.0 42.0 -58.0 -57.6 30.2 -9.7 19.5 447 697 A W H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.721 114.0 52.0 -64.6 -28.4 29.9 -5.9 19.3 448 698 A F H X S+ 0 0 12 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.884 115.5 41.1 -76.4 -39.1 33.2 -5.4 21.3 449 699 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 3,-0.3 0.925 113.9 53.1 -72.3 -43.7 35.1 -7.7 18.9 450 700 A R H X S+ 0 0 39 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.821 105.6 55.1 -60.1 -36.2 33.3 -6.3 15.8 451 701 A S H X S+ 0 0 0 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.891 112.0 42.7 -64.7 -41.4 34.3 -2.7 16.8 452 702 A E H X S+ 0 0 2 -4,-1.1 4,-1.1 -3,-0.3 7,-0.2 0.851 112.2 52.8 -73.6 -38.1 38.0 -3.6 16.9 453 703 A I H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.841 111.4 49.1 -65.1 -33.7 37.9 -5.7 13.7 454 704 A A H < S+ 0 0 37 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.695 126.5 20.4 -80.7 -24.9 36.3 -2.7 11.9 455 705 A Q H < S+ 0 0 29 -4,-0.9 2,-0.3 -3,-0.2 -2,-0.2 0.182 111.7 67.3-137.2 25.3 38.8 0.1 13.0 456 706 A S X + 0 0 4 -4,-1.1 4,-0.9 -3,-0.1 3,-0.4 -0.845 41.8 175.6-146.7 102.3 42.1 -1.7 14.2 457 707 A R T 4 S+ 0 0 141 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.707 80.9 67.4 -78.9 -18.9 44.2 -3.5 11.6 458 708 A H T 4 S+ 0 0 30 1,-0.2 -183,-0.4 2,-0.1 -1,-0.2 0.754 119.3 18.4 -67.8 -29.6 46.9 -4.2 14.3 459 709 A Y T > S+ 0 0 5 -3,-0.4 4,-2.0 -7,-0.2 5,-0.2 0.371 93.3 99.0-128.2 6.6 44.5 -6.5 16.1 460 710 A Q H X S+ 0 0 11 -4,-0.9 4,-1.9 1,-0.2 5,-0.1 0.825 82.6 56.4 -66.1 -32.9 41.7 -7.6 13.6 461 711 A Q H > S+ 0 0 15 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.916 112.6 40.6 -63.5 -46.2 43.4 -10.9 12.7 462 712 A R H >> S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.952 116.8 46.5 -66.2 -57.0 43.5 -12.1 16.4 463 713 A F H 3X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.815 107.2 59.3 -57.3 -36.7 40.0 -10.8 17.5 464 714 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.849 104.1 50.3 -62.1 -38.3 38.3 -12.3 14.3 465 715 A V H X S+ 0 0 0 -4,-1.1 3,-2.1 -3,-0.3 4,-0.7 0.973 111.3 47.6 -72.3 -55.5 32.1 -17.6 19.5 471 721 A L H 3X S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.3 3,-0.4 0.772 101.9 66.5 -54.6 -32.6 29.6 -17.5 16.6 472 722 A R H 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.502 117.9 22.5 -69.0 -6.7 30.3 -21.2 15.8 473 723 A G H <4 S+ 0 0 1 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.309 96.0 90.8-142.2 4.7 28.7 -22.1 19.2 474 724 A C H < S- 0 0 0 -4,-0.7 4,-0.3 -3,-0.4 -3,-0.1 0.724 93.4-108.6 -77.4 -23.5 26.3 -19.3 20.1 475 725 A G X - 0 0 2 -4,-0.5 4,-1.7 2,-0.1 3,-0.3 0.106 19.9 -88.9 105.0 146.1 23.3 -20.9 18.4 476 726 A T H > S+ 0 0 69 -322,-2.2 4,-2.9 1,-0.2 -323,-0.2 0.717 120.9 62.4 -55.4 -29.8 21.2 -20.3 15.2 477 727 A A H 4 S+ 0 0 36 -325,-0.9 -1,-0.2 2,-0.2 -324,-0.1 0.972 110.0 37.2 -62.2 -55.7 18.8 -18.0 17.3 478 728 A M H > S+ 0 0 18 -3,-0.3 4,-1.8 -4,-0.3 3,-0.5 0.755 118.2 53.7 -67.3 -27.9 21.6 -15.4 18.1 479 729 A L H X S+ 0 0 12 -4,-1.7 4,-2.0 2,-0.2 3,-0.2 0.957 108.4 45.5 -71.7 -52.3 23.1 -15.9 14.6 480 730 A H H < S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.261 117.4 51.0 -74.4 12.9 19.8 -15.2 12.7 481 731 A D H > S+ 0 0 23 -3,-0.5 4,-0.5 2,-0.1 53,-0.3 0.634 107.3 46.9-116.1 -40.9 19.6 -12.2 15.1 482 732 A F H X S+ 0 0 1 -4,-1.8 4,-2.9 -3,-0.2 5,-0.2 0.769 109.6 59.1 -72.7 -29.6 23.1 -10.8 14.6 483 733 A T H X S+ 0 0 37 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.952 108.3 41.6 -63.5 -51.5 22.4 -11.1 10.8 484 734 A Q H > S+ 0 0 45 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.634 115.9 54.2 -71.9 -13.2 19.3 -8.8 11.1 485 735 A Q H X S+ 0 0 0 -4,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.930 110.2 42.2 -82.1 -52.3 21.4 -6.6 13.4 486 736 A V H X S+ 0 0 16 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.890 110.9 59.2 -60.9 -42.4 24.4 -6.1 11.1 487 737 A Q H X S+ 0 0 91 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.912 106.2 46.5 -49.1 -56.5 21.9 -5.6 8.1 488 738 A V H X S+ 0 0 10 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.877 112.5 50.3 -55.9 -47.5 20.2 -2.6 9.7 489 739 A I H X S+ 0 0 4 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.959 110.2 48.0 -58.9 -57.6 23.6 -0.9 10.7 490 740 A E H X S+ 0 0 53 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.799 113.6 49.6 -52.2 -38.4 25.1 -1.2 7.1 491 741 A M H X S+ 0 0 40 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.919 114.5 42.9 -68.0 -47.3 21.8 0.2 5.7 492 742 A L H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.830 111.1 56.2 -68.7 -33.7 21.8 3.2 8.1 493 743 A Q H X S+ 0 0 44 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.845 107.6 49.8 -64.6 -36.7 25.6 3.7 7.6 494 744 A K H X S+ 0 0 54 -4,-1.4 4,-0.8 -5,-0.2 -2,-0.2 0.872 111.3 48.5 -69.3 -39.3 24.8 4.0 3.9 495 745 A V H X S+ 0 0 19 -4,-1.5 4,-1.8 2,-0.2 3,-0.5 0.912 109.8 50.8 -68.2 -46.5 22.1 6.6 4.6 496 746 A T H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.863 109.3 50.7 -59.5 -42.3 24.2 8.8 6.9 497 747 A L H X S+ 0 0 71 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.713 107.5 53.7 -71.6 -22.7 27.1 9.0 4.4 498 748 A D H >X S+ 0 0 111 -4,-0.8 3,-1.1 -3,-0.5 4,-1.0 0.935 109.8 46.7 -74.4 -47.4 24.8 10.1 1.6 499 749 A I H >X S+ 0 0 9 -4,-1.8 4,-3.0 1,-0.2 3,-0.8 0.901 106.1 61.5 -58.7 -42.6 23.4 13.0 3.8 500 750 A K H 3< S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.677 99.5 54.7 -56.6 -27.9 27.1 13.9 4.7 501 751 A S H << S+ 0 0 106 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.836 116.6 36.0 -75.3 -37.0 27.9 14.6 0.9 502 752 A L H << S+ 0 0 119 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.1 0.802 110.1 85.0 -80.0 -37.2 25.0 17.1 0.7 503 753 A S S < S- 0 0 27 -4,-3.0 6,-0.1 -5,-0.2 3,-0.0 -0.381 80.4 -88.0 -71.8 145.1 25.7 18.2 4.3 504 754 A A - 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0 0 4 -5,-0.6 4,-0.8 -4,-0.3 3,-0.4 -0.982 55.9-165.4-135.8 119.6 43.2 6.6 22.6 780 1040 A P T 4 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.541 81.8 55.9 -86.8 -4.8 46.7 6.8 20.9 781 1041 A Q T 4 S+ 0 0 92 1,-0.1 -6,-0.0 3,-0.0 -62,-0.0 0.507 101.1 56.0-104.4 -3.2 47.7 10.5 21.3 782 1042 A L T 4 S+ 0 0 51 -3,-0.4 5,-0.3 -7,-0.2 6,-0.1 0.934 73.8 121.4 -83.4 -54.6 47.5 10.6 25.2 783 1043 A T < + 0 0 50 -4,-0.8 2,-0.3 -8,-0.6 3,-0.1 0.284 40.7 121.2 -7.1 62.1 49.9 7.6 25.5 784 1044 A S S > S- 0 0 65 1,-0.1 4,-2.1 0, 0.0 3,-0.4 -0.993 72.8-126.0-142.1 147.0 52.6 9.3 27.6 785 1045 A K H > S+ 0 0 76 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.916 118.7 53.6 -53.7 -41.6 54.2 8.6 31.1 786 1046 A E H 4 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.795 108.4 48.7 -59.6 -39.4 53.2 12.3 31.8 787 1047 A D H >4 S+ 0 0 31 -3,-0.4 3,-0.8 -5,-0.3 4,-0.3 0.894 110.4 48.5 -70.5 -46.0 49.5 11.6 30.7 788 1048 A I H >< S+ 0 0 19 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.897 100.4 64.7 -63.0 -45.8 49.0 8.4 32.9 789 1049 A E T >X S+ 0 0 71 -4,-1.8 4,-1.0 1,-0.2 3,-0.8 0.598 81.5 83.2 -54.5 -20.1 50.4 9.9 36.1 790 1050 A Y H <> S+ 0 0 91 -3,-0.8 4,-2.1 -4,-0.3 3,-0.5 0.883 81.0 61.6 -49.4 -50.6 47.5 12.5 36.2 791 1051 A I H <> S+ 0 0 1 -3,-1.3 4,-1.8 -4,-0.3 -1,-0.2 0.781 99.9 55.5 -48.4 -37.7 45.1 9.9 37.9 792 1052 A R H <4>S+ 0 0 41 -3,-0.8 5,-1.7 -4,-0.3 -1,-0.2 0.911 109.2 44.7 -63.6 -49.6 47.4 9.7 41.0 793 1053 A D H ><5S+ 0 0 100 -4,-1.0 3,-1.3 -3,-0.5 -2,-0.2 0.895 113.9 49.5 -62.1 -47.1 47.3 13.5 41.6 794 1054 A A H 3<5S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.836 116.9 42.2 -61.5 -36.5 43.5 13.6 41.1 795 1055 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.263 108.2-132.2 -92.6 7.9 43.2 10.6 43.6 796 1056 A T T X 5 - 0 0 6 -3,-1.3 3,-0.9 1,-0.2 2,-0.4 0.882 24.1-146.9 35.4 64.9 45.9 12.3 45.9 797 1057 A V T 3 - 0 0 112 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.258 30.1-114.5 -67.5 155.6 45.4 11.5 54.6 801 1061 A E H > S+ 0 0 89 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.865 119.2 40.1 -61.7 -40.3 41.6 11.0 54.4 802 1062 A E H > S+ 0 0 130 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.775 116.3 52.7 -78.2 -27.6 40.8 14.5 56.1 803 1063 A D H > S+ 0 0 80 2,-0.2 4,-1.1 1,-0.2 3,-0.2 0.925 110.6 45.0 -70.5 -48.9 43.7 16.1 54.0 804 1064 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.731 107.9 60.9 -66.4 -27.3 42.4 14.8 50.6 805 1065 A K H X S+ 0 0 74 -4,-0.9 4,-1.6 -5,-0.2 -1,-0.2 0.898 105.3 46.5 -64.5 -44.9 38.9 15.9 51.8 806 1066 A K H X S+ 0 0 45 -4,-1.2 4,-1.3 -3,-0.2 -2,-0.2 0.762 107.6 59.7 -68.7 -29.6 40.2 19.5 52.0 807 1067 A Y H X S+ 0 0 59 -4,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.916 108.3 41.6 -65.4 -48.6 41.9 19.1 48.5 808 1068 A F H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.828 112.1 55.4 -69.8 -33.6 38.5 18.3 46.7 809 1069 A L H X S+ 0 0 60 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.806 105.2 53.3 -68.0 -30.2 36.7 21.1 48.7 810 1070 A D H X S+ 0 0 105 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.758 105.1 54.8 -73.5 -26.4 39.4 23.6 47.4 811 1071 A Q H X S+ 0 0 35 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.878 107.0 50.5 -71.4 -38.8 38.6 22.4 43.9 812 1072 A I H X S+ 0 0 9 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.900 108.7 51.9 -62.5 -44.8 34.9 23.2 44.5 813 1073 A E H X S+ 0 0 52 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.747 103.8 57.4 -64.7 -29.2 35.9 26.8 45.8 814 1074 A V H X S+ 0 0 60 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.970 107.0 48.4 -64.9 -49.2 38.0 27.3 42.5 815 1075 A C H < S+ 0 0 5 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.762 112.6 49.4 -58.6 -32.0 34.7 26.7 40.5 816 1076 A R H >< S+ 0 0 59 -4,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.879 112.6 45.8 -74.5 -41.9 33.0 29.2 42.9 817 1077 A D H 3< S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.571 108.8 58.2 -77.1 -13.7 35.7 31.8 42.4 818 1078 A K T >< S+ 0 0 61 -4,-1.2 3,-1.8 1,-0.2 4,-0.3 0.554 79.2 179.6 -93.4 -12.9 35.7 31.3 38.6 819 1079 A G T < - 0 0 25 -3,-0.6 -1,-0.2 -4,-0.4 4,-0.2 -0.186 68.2 -33.1 50.1-126.2 32.0 32.2 38.0 820 1080 A W T 3> S+ 0 0 31 1,-0.1 4,-2.8 -91,-0.1 -1,-0.3 0.241 107.4 113.7-104.6 6.3 31.1 31.9 34.3 821 1081 A T H <> S+ 0 0 73 -3,-1.8 4,-2.5 1,-0.2 3,-0.2 0.894 81.2 38.4 -42.0 -64.8 34.6 33.1 33.2 822 1082 A V H > S+ 0 0 15 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.858 114.9 55.5 -58.5 -42.4 35.7 29.8 31.6 823 1083 A Q H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 111.6 42.8 -60.1 -42.6 32.1 29.3 30.1 824 1084 A F H X S+ 0 0 106 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.925 114.2 51.2 -65.0 -49.3 32.2 32.7 28.4 825 1085 A N H X S+ 0 0 77 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.794 112.8 46.9 -58.4 -31.8 35.9 32.0 27.3 826 1086 A W H X S+ 0 0 46 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.851 110.3 52.5 -74.5 -43.0 34.6 28.6 25.9 827 1087 A F H < S+ 0 0 8 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.867 112.7 44.1 -62.6 -39.7 31.6 30.3 24.2 828 1088 A L H >X S+ 0 0 37 -4,-2.5 4,-1.9 1,-0.1 3,-0.6 0.799 112.9 54.3 -73.8 -31.4 33.9 32.8 22.5 829 1089 A H H 3< S+ 0 0 106 -4,-1.1 -2,-0.2 2,-0.2 -3,-0.1 0.919 105.4 48.8 -68.4 -49.8 36.4 29.9 21.6 830 1090 A L T 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.331 119.6 43.7 -74.1 8.0 33.8 27.7 19.8 831 1091 A V T <4 0 0 122 -3,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.589 360.0 360.0-121.5 -31.5 32.8 31.0 17.9 832 1092 A L < 0 0 165 -4,-1.9 -2,-0.2 -5,-0.0 -3,-0.1 0.569 360.0 360.0 -80.6 360.0 36.4 32.4 17.1