==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 31-JAN-11 3QK0 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,J.TANG,P.YAKOWEC . 820 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 54 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 3 1 1 1 3 2 2 2 0 1 3 0 1 2 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 3 4 1 4 2 0 3 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 . 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 132 0, 0.0 3,-0.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -2.6 26.6 -24.9 1.5 2 148 A Q T >> + 0 0 161 1,-0.2 4,-1.4 2,-0.1 3,-1.1 0.320 360.0 101.9 -91.1 6.7 29.5 -22.5 2.5 3 149 A A H 3> S+ 0 0 66 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.634 71.9 69.3 -61.6 -15.7 27.2 -19.5 2.2 4 150 A F H <> S+ 0 0 28 -3,-0.6 4,-2.4 2,-0.2 -1,-0.3 0.889 99.4 46.0 -65.6 -42.9 27.1 -19.8 6.0 5 151 A Q H <> S+ 0 0 31 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.869 110.1 53.6 -67.6 -39.3 30.8 -18.7 6.0 6 152 A R H X S+ 0 0 202 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.791 109.6 49.7 -64.2 -30.9 30.0 -15.9 3.5 7 153 A Q H X S+ 0 0 75 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.945 107.1 52.7 -70.5 -52.0 27.3 -14.7 6.0 8 154 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.886 106.2 55.7 -49.6 -44.3 29.7 -14.8 8.9 9 155 A T H >X>S+ 0 0 36 -4,-2.2 4,-3.3 1,-0.2 5,-1.1 0.961 109.4 44.9 -52.2 -55.5 32.0 -12.6 6.9 10 156 A A H 3<5S+ 0 0 62 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.724 112.8 51.9 -65.9 -24.3 29.2 -10.0 6.4 11 157 A L H 3<5S+ 0 0 5 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.797 117.2 38.6 -76.5 -31.5 28.3 -10.2 10.1 12 158 A I H <<5S- 0 0 2 -4,-2.1 -2,-0.2 -3,-0.5 -3,-0.2 0.833 99.2-134.2 -84.7 -39.0 31.9 -9.6 11.1 13 159 A G T <5S+ 0 0 50 -4,-3.3 2,-0.3 -5,-0.3 -3,-0.2 0.710 81.4 71.2 82.3 23.7 32.7 -7.0 8.5 14 160 A Y S - 0 0 62 -2,-0.3 3,-0.8 1,-0.2 -9,-0.1 -0.783 17.4-173.4 -95.5 108.6 37.0 -12.3 6.2 16 162 A V T 3 S+ 0 0 8 -2,-0.8 -1,-0.2 1,-0.2 15,-0.1 0.824 83.5 64.6 -60.3 -37.1 38.9 -14.6 8.5 17 163 A T T 3 S+ 0 0 66 -12,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.756 81.2 97.9 -63.4 -27.9 39.5 -17.1 5.7 18 164 A D < + 0 0 60 -3,-0.8 3,-0.1 1,-0.1 0, 0.0 -0.373 46.8 179.9 -65.3 138.9 41.6 -14.5 3.8 19 165 A V > + 0 0 80 -2,-0.1 3,-0.7 1,-0.1 -1,-0.1 -0.007 45.2 113.5-134.5 29.5 45.4 -14.9 4.3 20 166 A S T 3 S+ 0 0 80 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.686 83.2 48.4 -69.6 -21.7 46.9 -12.1 2.1 21 167 A N T 3 S+ 0 0 10 -3,-0.1 256,-0.3 2,-0.0 2,-0.3 -0.394 91.0 92.2-122.8 54.1 48.1 -10.5 5.3 22 168 A V < - 0 0 47 -3,-0.7 3,-0.1 254,-0.1 -3,-0.0 -0.916 43.5-170.5-130.7 164.3 49.9 -13.3 7.3 23 169 A H S S+ 0 0 59 -2,-0.3 2,-0.2 234,-0.0 -1,-0.0 0.148 82.7 12.8-134.1 9.7 53.5 -14.5 7.5 24 170 A D S S- 0 0 41 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.853 87.6 -93.5-160.8-164.8 52.6 -17.6 9.6 25 171 A D S > S+ 0 0 60 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.016 75.7 118.0-117.2 28.9 49.6 -19.6 10.7 26 172 A E H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.959 77.2 48.0 -61.1 -53.0 48.7 -18.0 14.0 27 173 A L H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 115.2 45.2 -55.3 -44.5 45.3 -16.7 13.1 28 174 A E H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.889 111.4 52.5 -67.8 -42.0 44.2 -20.1 11.6 29 175 A F H X S+ 0 0 64 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.865 109.9 50.3 -58.3 -39.1 45.7 -22.0 14.5 30 176 A T H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.803 107.5 52.4 -74.5 -31.3 43.6 -19.8 16.8 31 177 A R H >X S+ 0 0 51 -4,-1.7 3,-1.0 -5,-0.2 4,-0.5 0.983 116.1 40.7 -58.7 -55.1 40.4 -20.4 14.8 32 178 A R H 3< S+ 0 0 148 -4,-2.6 4,-0.3 1,-0.3 3,-0.3 0.728 113.0 56.4 -68.5 -22.4 41.1 -24.2 15.1 33 179 A G H 3< S+ 0 0 16 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.3 0.710 103.2 53.4 -79.7 -20.5 42.2 -23.7 18.8 34 180 A L H S+ 0 0 103 -4,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.963 111.4 44.4 -69.9 -56.4 37.0 -26.7 21.7 37 183 A P H > S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.823 114.6 54.7 -56.0 -31.2 36.2 -23.9 24.2 38 184 A R H X S+ 0 0 28 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.928 112.9 39.0 -64.5 -49.3 33.3 -23.0 21.8 39 185 A M H X S+ 0 0 87 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.770 112.1 58.7 -78.9 -24.8 31.8 -26.5 21.8 40 186 A A H X S+ 0 0 56 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.952 110.6 38.8 -67.5 -51.9 32.4 -27.0 25.5 41 187 A E H X S+ 0 0 15 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.843 115.0 55.7 -69.9 -35.1 30.4 -24.0 26.8 42 188 A V H >< S+ 0 0 35 -4,-1.4 3,-0.7 -5,-0.2 -1,-0.2 0.967 112.0 42.7 -55.5 -53.5 27.8 -24.7 24.2 43 189 A A H 3< S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.826 114.6 50.1 -68.3 -31.3 27.3 -28.2 25.4 44 190 A S H 3< S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.1 2,-0.2 0.593 88.7 96.8 -86.7 -11.1 27.4 -27.4 29.1 45 191 A R S << S- 0 0 32 -4,-1.1 393,-0.0 -3,-0.7 3,-0.0 -0.512 80.9-109.2 -82.6 147.3 24.8 -24.5 29.1 46 192 A D > - 0 0 76 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.629 23.1-143.6 -76.6 125.4 21.1 -25.0 30.1 47 193 A P H > S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.877 96.0 41.3 -56.1 -46.6 18.9 -24.6 26.9 48 194 A K H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.869 115.6 48.0 -75.2 -41.1 16.0 -22.9 28.6 49 195 A L H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.812 111.3 53.0 -69.0 -31.6 18.0 -20.6 30.8 50 196 A Y H < S+ 0 0 5 -4,-2.3 389,-0.4 2,-0.2 -2,-0.2 0.874 109.6 49.3 -66.8 -38.5 20.1 -19.6 27.8 51 197 A A H < S+ 0 0 8 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.908 120.1 34.1 -67.5 -44.1 16.9 -18.8 25.9 52 198 A M H < S- 0 0 16 -4,-2.2 63,-0.5 94,-0.1 3,-0.2 0.668 86.2-161.8 -90.0 -17.2 15.4 -16.6 28.6 53 199 A H < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.2 62,-0.2 0.866 13.4-144.4 41.0 61.8 18.7 -15.2 29.9 54 200 A P - 0 0 22 0, 0.0 2,-1.2 0, 0.0 -1,-0.2 -0.395 4.8-141.4 -62.5 116.3 17.5 -14.0 33.2 55 201 A W + 0 0 71 -2,-0.4 71,-2.0 60,-0.3 72,-0.4 -0.677 42.4 159.1 -80.6 100.0 19.4 -10.8 33.9 56 202 A V B -A 125 0A 37 -2,-1.2 348,-0.3 69,-0.2 2,-0.3 -0.869 30.8-152.3-129.8 150.9 19.9 -11.2 37.6 57 203 A T - 0 0 2 67,-3.3 346,-0.0 -2,-0.3 -2,-0.0 -0.822 12.5-156.7-118.6 162.6 22.3 -9.9 40.4 58 204 A S + 0 0 81 -2,-0.3 3,-0.1 2,-0.1 66,-0.1 0.135 59.9 115.8-119.8 15.6 23.5 -11.5 43.6 59 205 A K S S- 0 0 53 65,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.449 75.6 -89.6 -88.0 155.7 24.3 -8.1 45.3 60 206 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.371 40.3-116.3 -55.5 138.6 22.7 -6.5 48.3 61 207 A L - 0 0 11 1,-0.1 5,-0.1 -3,-0.1 63,-0.0 -0.766 45.5-118.7 -76.7 119.5 19.7 -4.3 47.6 62 208 A P >> - 0 0 6 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.029 15.5-104.2 -65.3 167.9 21.1 -0.9 48.7 63 209 A E H 3> S+ 0 0 110 1,-0.2 4,-1.7 540,-0.2 544,-0.1 0.793 116.4 61.3 -59.7 -32.3 19.7 1.4 51.4 64 210 A Y H 34 S+ 0 0 42 542,-0.3 -1,-0.2 1,-0.2 543,-0.1 0.831 106.8 42.6 -68.9 -32.8 18.1 3.7 48.8 65 211 A L H X> S+ 0 0 4 -3,-0.7 4,-0.7 2,-0.1 3,-0.6 0.724 109.6 56.4 -87.7 -23.9 15.8 1.1 47.4 66 212 A W H >< S+ 0 0 93 -4,-1.3 3,-1.8 1,-0.2 5,-0.2 0.954 101.5 56.1 -66.7 -50.5 14.7 -0.5 50.7 67 213 A K T 3< S+ 0 0 158 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.390 105.6 56.2 -65.8 5.1 13.5 2.9 52.0 68 214 A K T <4 S+ 0 0 129 -3,-0.6 2,-0.3 -5,-0.1 -1,-0.3 0.640 85.3 96.7-102.5 -27.4 11.3 2.9 48.8 69 215 A I S << S- 0 0 15 -3,-1.8 2,-2.4 -4,-0.7 3,-0.2 -0.505 81.2-124.0 -72.9 126.3 9.6 -0.4 49.5 70 216 A A S S- 0 0 82 3,-0.5 -1,-0.1 -2,-0.3 -3,-0.1 -0.439 74.3 -57.8 -70.5 74.1 6.1 -0.2 51.2 71 217 A N S S- 0 0 150 -2,-2.4 -1,-0.2 -5,-0.2 3,-0.1 0.957 106.5 -36.5 47.7 87.1 7.0 -2.4 54.1 72 218 A N S S+ 0 0 119 -3,-0.2 2,-0.4 -6,-0.1 -1,-0.2 0.738 115.7 111.4 46.3 32.1 8.2 -5.9 52.9 73 219 A C - 0 0 30 17,-0.1 -3,-0.5 18,-0.1 2,-0.4 -0.999 42.6-177.4-140.6 134.1 5.6 -5.7 50.1 74 220 A I E -B 89 0B 11 15,-3.1 15,-1.8 -2,-0.4 2,-0.4 -0.998 18.8-140.0-134.8 129.2 5.9 -5.3 46.3 75 221 A F E -B 88 0B 112 -2,-0.4 63,-0.7 13,-0.2 2,-0.4 -0.740 17.5-175.7 -90.7 129.4 3.1 -5.1 43.8 76 222 A I E -B 87 0B 7 11,-1.9 11,-0.9 -2,-0.4 2,-0.7 -0.949 15.2-148.0-130.3 112.1 3.4 -6.9 40.5 77 223 A V E -B 86 0B 12 -2,-0.4 63,-1.8 9,-0.2 2,-0.3 -0.690 15.5-159.0 -86.3 113.8 0.6 -6.4 37.9 78 224 A I E -Bc 85 140B 22 7,-1.8 7,-1.9 -2,-0.7 2,-0.4 -0.718 3.0-154.3 -98.2 142.5 0.1 -9.6 35.7 79 225 A H E + c 0 141B 29 61,-2.1 63,-2.3 -2,-0.3 5,-0.2 -0.936 19.7 168.6-122.8 138.1 -1.5 -9.6 32.3 80 226 A R S S- 0 0 182 -2,-0.4 -1,-0.1 3,-0.3 4,-0.1 0.574 77.8 -38.0-103.6-105.5 -3.4 -12.2 30.3 81 227 A S S S- 0 0 108 60,-0.0 -2,-0.0 2,-0.0 3,-0.0 0.902 126.8 -36.2 -84.4 -72.0 -5.3 -11.1 27.2 82 228 A T S S+ 0 0 137 -3,-0.0 2,-0.7 2,-0.0 -3,-0.0 -0.182 111.9 115.7-138.8 40.3 -6.5 -7.8 28.6 83 229 A T + 0 0 83 2,-0.0 2,-0.6 0, 0.0 -3,-0.3 -0.753 40.1 177.6-112.2 82.8 -7.1 -9.1 32.2 84 230 A S + 0 0 67 -2,-0.7 2,-0.4 -5,-0.2 -5,-0.2 -0.760 3.5 169.4 -84.3 121.3 -4.6 -7.2 34.4 85 231 A Q E -B 78 0B 143 -7,-1.9 -7,-1.8 -2,-0.6 2,-0.1 -0.995 27.5-129.7-134.0 133.3 -4.8 -8.0 38.1 86 232 A T E -B 77 0B 65 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.421 20.1-158.3 -79.7 150.5 -2.2 -6.9 40.7 87 233 A I E -B 76 0B 44 -11,-0.9 -11,-1.9 -2,-0.1 2,-0.4 -0.991 17.7-123.1-133.5 139.0 -0.6 -9.3 43.2 88 234 A K E +B 75 0B 161 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.685 37.3 178.8 -79.4 130.0 1.1 -8.7 46.6 89 235 A V E -B 74 0B 5 -15,-1.8 -15,-3.1 -2,-0.4 9,-0.0 -0.971 25.2-132.9-136.5 145.5 4.6 -10.1 46.7 90 236 A S > - 0 0 47 -2,-0.3 3,-3.5 -17,-0.2 32,-0.3 -0.843 31.9-113.6 -98.3 137.4 7.5 -10.3 49.3 91 237 A P T 3 S+ 0 0 3 0, 0.0 32,-1.6 0, 0.0 33,-0.2 0.718 117.1 51.9 -37.0 -34.0 11.0 -9.3 48.2 92 238 A D T 3 S+ 0 0 111 29,-0.2 2,-0.0 30,-0.1 32,-0.0 0.608 80.3 121.5 -84.1 -13.8 12.1 -13.0 48.7 93 239 A D < - 0 0 50 -3,-3.5 29,-1.5 28,-0.1 30,-0.1 -0.265 58.2-131.6 -60.7 130.1 9.4 -14.6 46.6 94 240 A T > - 0 0 43 27,-0.2 4,-1.0 1,-0.1 5,-0.2 -0.354 20.5-115.3 -74.5 152.9 10.6 -16.7 43.7 95 241 A P H > S+ 0 0 3 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.868 126.5 50.2 -49.1 -37.2 9.3 -16.5 40.1 96 242 A G H >> S+ 0 0 29 22,-0.3 4,-1.5 1,-0.2 3,-0.6 0.887 103.6 57.5 -65.8 -42.1 8.2 -20.1 41.0 97 243 A A H 34 S+ 0 0 45 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.638 109.8 44.8 -64.3 -18.0 6.6 -18.8 44.2 98 244 A I H 3X S+ 0 0 9 -4,-1.0 4,-0.6 -3,-0.4 -1,-0.2 0.557 104.5 62.2-101.8 -13.0 4.4 -16.4 42.2 99 245 A L H << S+ 0 0 47 -4,-0.7 -2,-0.2 -3,-0.6 3,-0.1 0.800 113.6 35.2 -79.9 -32.1 3.5 -19.0 39.5 100 246 A Q T < S+ 0 0 186 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.1 0.093 97.9 91.5-101.8 19.2 1.7 -21.1 42.1 101 247 A S T 4 0 0 69 -3,-0.2 -2,-0.2 -5,-0.1 -1,-0.1 0.890 360.0 360.0 -76.4 -43.3 0.6 -17.9 43.9 102 248 A F < 0 0 168 -4,-0.6 -2,-0.1 -3,-0.1 -3,-0.1 0.844 360.0 360.0 -86.0 360.0 -2.7 -17.7 42.0 103 ! 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 0.0 104 269 A D 0 0 186 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.2 4.2 -24.4 32.2 105 270 A F - 0 0 114 39,-0.1 2,-0.3 -6,-0.0 39,-0.2 -0.907 360.0-157.6-113.4 141.9 3.8 -20.6 31.9 106 271 A V E -D 143 0B 16 37,-3.0 37,-3.0 -2,-0.4 2,-0.4 -0.904 18.0-118.6-121.9 145.7 6.7 -18.1 32.1 107 272 A L E -D 142 0B 9 9,-0.4 9,-1.5 -2,-0.3 2,-0.4 -0.656 28.4-176.0 -87.0 133.8 6.7 -14.4 33.0 108 273 A R E -DE 141 115B 19 33,-2.2 33,-3.4 -2,-0.4 7,-0.2 -0.998 30.2-111.6-130.9 132.8 7.9 -11.8 30.4 109 274 A V E -D 140 0B 1 5,-1.6 3,-0.3 -2,-0.4 5,-0.3 -0.328 41.3-104.0 -58.9 135.6 8.2 -8.1 30.9 110 275 A C S S+ 0 0 18 29,-1.3 460,-0.2 1,-0.2 459,-0.2 -0.483 101.4 4.2 -64.5 125.8 5.7 -6.1 28.9 111 276 A G S S+ 0 0 7 -2,-0.3 428,-0.6 1,-0.2 455,-0.2 -0.180 117.0 84.5 96.1 -37.6 7.4 -4.4 25.9 112 277 A R B S-F 538 0C 40 -3,-0.3 -1,-0.2 426,-0.1 426,-0.2 -0.395 79.6-124.8 -98.7 168.6 10.8 -6.0 26.4 113 278 A D S S+ 0 0 33 424,-1.2 2,-0.3 -2,-0.1 425,-0.1 -0.344 74.6 120.0-102.9 46.1 12.4 -9.3 25.5 114 279 A E - 0 0 13 -5,-0.3 -5,-1.6 423,-0.1 2,-0.4 -0.829 49.1-149.9-114.6 150.7 13.2 -9.8 29.2 115 280 A Y B -E 108 0B 18 -63,-0.5 2,-0.8 -2,-0.3 -60,-0.3 -0.957 13.9-149.7-128.4 141.5 12.2 -12.7 31.5 116 281 A L + 0 0 6 -9,-1.5 -9,-0.4 -2,-0.4 2,-0.3 -0.686 56.5 118.7-105.6 76.1 11.5 -13.0 35.3 117 282 A V + 0 0 14 -2,-0.8 2,-0.1 -65,-0.1 -2,-0.1 -0.939 29.0 57.8-138.8 160.1 12.5 -16.7 35.9 118 283 A G S S- 0 0 21 -2,-0.3 2,-2.3 1,-0.1 -22,-0.3 -0.201 87.1 -51.9 108.6 164.8 14.9 -18.9 37.8 119 284 A E S S+ 0 0 169 -25,-0.1 -1,-0.1 -24,-0.1 -25,-0.0 -0.439 96.1 96.7 -79.4 71.0 15.9 -19.6 41.4 120 285 A T S S- 0 0 34 -2,-2.3 -62,-0.1 -27,-0.1 5,-0.1 -0.959 79.2-101.9-143.1 149.1 16.6 -16.1 42.7 121 286 A P > - 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0 0 12 1,-0.1 3,-1.8 2,-0.0 -1,-0.1 -0.210 37.2-104.4 -65.0 158.5 49.3 3.3 43.6 313 563 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.692 120.0 54.4 -57.8 -20.4 49.7 1.2 40.4 314 564 A L T 3 S+ 0 0 33 2,-0.1 471,-0.1 470,-0.1 -2,-0.0 0.516 77.5 108.3 -95.1 -7.5 51.2 4.2 38.6 315 565 A N S < S- 0 0 54 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.603 74.6-122.5 -71.0 120.5 54.0 4.9 41.1 316 566 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.427 18.4-133.7 -67.6 136.5 57.3 3.9 39.4 317 567 A L - 0 0 31 -2,-0.1 2,-0.2 27,-0.1 -9,-0.0 -0.715 17.4-141.9 -86.2 140.4 59.4 1.3 41.1 318 568 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.541 30.0-102.0 -93.4 166.3 63.1 2.0 41.4 319 569 A A H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 126.4 54.8 -52.5 -40.6 65.9 -0.6 41.1 320 570 A E H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 108.7 47.2 -58.8 -46.0 66.1 -0.5 44.9 321 571 A D H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.905 114.3 46.8 -61.7 -45.5 62.4 -1.3 45.1 322 572 A K H X S+ 0 0 69 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.862 109.9 51.3 -66.4 -42.2 62.6 -4.1 42.6 323 573 A E H X S+ 0 0 135 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.865 112.7 48.1 -65.8 -35.6 65.7 -5.8 44.1 324 574 A L H X S+ 0 0 25 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.948 111.2 48.7 -69.7 -50.4 63.9 -5.7 47.5 325 575 A L H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -2,-0.2 0.875 114.8 46.1 -53.7 -44.1 60.6 -7.2 46.2 326 576 A W H >< S+ 0 0 38 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.925 110.4 50.4 -71.2 -44.5 62.5 -10.0 44.4 327 577 A H H 3< S+ 0 0 138 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.892 116.6 44.0 -60.7 -36.9 64.8 -10.9 47.2 328 578 A F T 3X S+ 0 0 42 -4,-2.2 4,-2.9 1,-0.2 3,-0.5 -0.154 75.1 140.6-102.4 35.7 61.7 -11.1 49.4 329 579 A R H <> + 0 0 52 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.870 69.6 49.0 -23.6 -62.3 59.7 -13.0 46.8 330 580 A Y H 4 S+ 0 0 100 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.770 112.7 43.0 -76.3 -30.5 58.1 -15.2 49.4 331 581 A E H >4 S+ 0 0 25 -3,-0.5 3,-1.6 2,-0.2 -1,-0.2 0.920 113.6 53.6 -71.1 -47.3 56.9 -12.6 51.8 332 582 A S H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 6,-0.4 0.819 101.8 61.7 -54.4 -34.6 55.7 -10.4 48.9 333 583 A L T 3< S+ 0 0 14 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.764 88.8 68.3 -63.0 -30.0 53.7 -13.4 47.7 334 584 A K T < S+ 0 0 114 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.520 94.0 68.7 -70.3 -3.8 51.6 -13.4 51.0 335 585 A H X> - 0 0 62 -3,-1.3 3,-1.8 -4,-0.2 4,-0.5 -0.946 67.2-159.7-121.5 106.9 50.1 -10.1 49.8 336 586 A P G >4 S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.848 95.0 60.3 -48.0 -36.3 47.8 -10.3 46.7 337 587 A K G 34 S+ 0 0 118 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.679 93.6 62.5 -71.0 -18.6 48.5 -6.5 46.3 338 588 A A G <> S+ 0 0 0 -3,-1.8 4,-3.0 -6,-0.4 -1,-0.3 0.697 81.8 91.3 -73.8 -18.1 52.2 -7.0 45.9 339 589 A Y H S+ 0 0 7 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.919 121.5 43.7 -59.8 -41.3 51.6 -6.4 39.9 341 591 A K H 4 S+ 0 0 16 -4,-0.4 -2,-0.2 2,-0.2 -3,-0.1 0.842 113.4 52.2 -69.0 -35.7 54.7 -4.8 41.6 342 592 A L H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.925 110.2 45.2 -71.5 -43.6 56.3 -8.2 42.2 343 593 A F H 3< S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.619 106.7 61.1 -78.3 -11.8 56.0 -9.5 38.6 344 594 A S T 3< S+ 0 0 32 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.098 98.9 59.0 -92.5 15.3 57.3 -6.2 37.3 345 595 A S S < S+ 0 0 12 -3,-1.3 2,-0.3 -23,-0.1 -2,-0.2 0.314 80.6 111.5-116.9 -1.5 60.5 -6.8 39.3 346 596 A V S S- 0 0 3 -3,-0.4 2,-1.6 -4,-0.1 3,-0.1 -0.580 71.5-132.6 -78.1 131.1 61.2 -10.0 37.4 347 597 A K > - 0 0 129 -2,-0.3 3,-0.6 1,-0.2 7,-0.3 -0.693 29.0-176.4 -80.4 87.6 64.2 -10.0 35.1 348 598 A W T 3 S+ 0 0 14 -2,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.660 70.9 67.4 -66.3 -18.9 62.3 -11.5 32.3 349 599 A G T 3 S+ 0 0 22 1,-0.1 -1,-0.3 -3,-0.1 2,-0.2 -0.220 86.5 80.4 -95.1 44.1 65.3 -11.7 30.0 350 600 A Q X> - 0 0 93 -3,-0.6 4,-1.6 -2,-0.3 3,-1.4 -0.751 69.2-149.1-154.6 97.8 67.0 -14.3 32.1 351 601 A Q H 3> S+ 0 0 97 1,-0.3 4,-1.8 -2,-0.2 -1,-0.1 0.747 95.6 47.7 -37.1 -51.8 66.0 -18.0 31.8 352 602 A E H 3> S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.830 109.3 53.9 -66.9 -34.2 66.7 -19.1 35.5 353 603 A I H <> S+ 0 0 22 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.940 108.5 48.6 -63.5 -47.0 64.9 -16.1 36.9 354 604 A V H X S+ 0 0 17 -4,-1.6 4,-2.2 -7,-0.3 -2,-0.2 0.881 109.4 54.0 -62.8 -37.4 61.7 -16.9 35.0 355 605 A A H X S+ 0 0 43 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.942 109.1 47.4 -58.1 -49.9 62.0 -20.5 36.1 356 606 A K H X S+ 0 0 81 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.842 109.3 55.2 -58.5 -37.7 62.1 -19.3 39.7 357 607 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.883 107.8 48.8 -61.1 -42.5 59.1 -17.0 38.9 358 608 A Y H X S+ 0 0 81 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.843 108.3 53.0 -69.1 -35.3 57.2 -20.1 37.8 359 609 A Q H < S+ 0 0 123 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.912 109.9 49.9 -60.4 -43.1 58.2 -22.0 40.9 360 610 A L H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.866 109.9 49.7 -64.9 -39.4 56.8 -19.0 42.8 361 611 A L H >< S+ 0 0 7 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.900 99.8 64.9 -65.0 -40.2 53.5 -19.1 40.8 362 612 A A T 3< S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.574 104.1 50.1 -61.2 -8.7 53.1 -22.9 41.4 363 613 A R T < + 0 0 175 -3,-0.9 -1,-0.3 -4,-0.3 3,-0.2 -0.506 67.2 132.9-129.6 62.3 52.7 -22.0 45.1 364 614 A R <> + 0 0 46 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 -0.396 13.5 141.0-113.0 55.1 50.1 -19.2 45.1 365 615 A E H > S+ 0 0 143 -2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.885 75.0 49.6 -59.7 -43.5 47.7 -20.5 47.9 366 616 A V H > S+ 0 0 63 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 111.2 49.8 -65.1 -44.2 47.2 -17.0 49.3 367 617 A W H >4 S+ 0 0 2 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.973 111.1 47.9 -55.4 -59.8 46.4 -15.6 45.8 368 618 A D H 3< S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.739 113.8 47.4 -55.1 -32.1 43.8 -18.3 45.0 369 619 A Q H 3< S+ 0 0 156 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.673 90.6 102.5 -85.7 -18.7 42.0 -18.0 48.3 370 620 A S S << S- 0 0 32 -4,-1.2 2,-0.2 -3,-1.1 3,-0.1 -0.302 82.8 -99.3 -71.3 148.6 41.7 -14.2 48.3 371 621 A A - 0 0 92 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.482 53.3 -90.7 -66.9 133.6 38.5 -12.4 47.5 372 622 A L - 0 0 50 -2,-0.2 2,-0.6 25,-0.1 -1,-0.1 -0.171 39.0-166.9 -47.4 124.4 38.5 -11.1 43.9 373 623 A D > - 0 0 61 1,-0.2 4,-2.9 -3,-0.1 5,-0.2 -0.918 4.3-166.7-117.4 103.3 39.9 -7.6 43.5 374 624 A V H > S+ 0 0 18 -2,-0.6 4,-3.2 1,-0.2 5,-0.2 0.903 88.6 53.3 -57.1 -45.0 39.0 -6.4 40.0 375 625 A G H > S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.920 112.9 43.8 -52.7 -51.3 41.4 -3.5 40.2 376 626 A L H > S+ 0 0 9 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.893 114.2 50.7 -60.9 -45.4 44.2 -5.8 41.2 377 627 A T H >X S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 4,-0.6 0.960 106.1 54.3 -58.3 -56.0 43.2 -8.3 38.5 378 628 A M H >< S+ 0 0 0 -4,-3.2 3,-2.0 1,-0.3 4,-0.3 0.842 99.8 61.1 -43.3 -45.6 43.1 -5.7 35.7 379 629 A Q H >< S+ 0 0 9 -4,-1.4 3,-1.1 1,-0.3 5,-0.3 0.835 100.1 55.4 -59.8 -34.5 46.6 -4.5 36.3 380 630 A L H << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.626 106.4 52.1 -73.6 -14.7 47.9 -8.0 35.5 381 631 A L T << S+ 0 0 0 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.306 92.3 98.1-100.6 6.6 46.2 -7.8 32.2 382 632 A D S X S- 0 0 8 -3,-1.1 3,-1.4 -4,-0.3 9,-0.0 -0.137 95.9 -80.4 -87.5-171.9 47.6 -4.5 31.0 383 633 A C T 3 S+ 0 0 6 1,-0.3 -1,-0.1 3,-0.0 -3,-0.1 0.562 118.2 74.0 -67.4 -11.3 50.6 -3.7 28.7 384 634 A N T 3 S+ 0 0 73 -5,-0.3 2,-0.4 -197,-0.1 -1,-0.3 0.354 90.7 64.0 -84.1 5.1 53.1 -4.3 31.5 385 635 A F < + 0 0 8 -3,-1.4 -199,-0.1 34,-0.1 -1,-0.1 -0.984 40.6 158.0-138.6 124.6 52.7 -8.1 31.4 386 636 A S + 0 0 15 -2,-0.4 2,-0.6 34,-0.1 -1,-0.1 0.375 47.1 107.5-122.3 -6.2 53.5 -10.4 28.6 387 637 A D > - 0 0 2 1,-0.2 4,-2.7 -202,-0.0 5,-0.2 -0.711 58.8-152.2 -82.4 121.1 53.9 -13.6 30.5 388 638 A E H > S+ 0 0 56 -2,-0.6 4,-2.2 -167,-0.2 -1,-0.2 0.846 95.7 51.2 -59.8 -39.0 51.0 -15.9 29.8 389 639 A N H > S+ 0 0 74 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.900 110.9 48.5 -68.2 -40.8 51.2 -17.6 33.2 390 640 A V H >> S+ 0 0 0 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.989 115.6 44.1 -56.2 -58.6 51.2 -14.3 35.0 391 641 A R H >X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.3 3,-0.5 0.792 106.2 62.4 -57.8 -32.6 48.2 -13.2 32.9 392 642 A A H 3X S+ 0 0 36 -4,-2.2 4,-2.7 1,-0.2 -1,-0.3 0.834 96.0 58.1 -66.4 -32.0 46.5 -16.5 33.5 393 643 A I H < S+ 0 0 75 -4,-2.7 3,-0.7 1,-0.2 4,-0.4 0.932 104.2 49.3 -50.6 -51.3 41.7 -17.3 36.7 397 647 A K H >< S+ 0 0 19 -4,-1.3 3,-0.8 -3,-0.3 -1,-0.2 0.803 104.9 58.2 -63.4 -28.6 40.5 -14.7 39.2 398 648 A L H >< S+ 0 0 2 -4,-1.5 3,-2.7 1,-0.2 -1,-0.2 0.815 84.7 82.1 -70.3 -29.3 37.9 -13.3 36.8 399 649 A E T << S+ 0 0 74 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.776 86.2 57.4 -44.1 -35.3 36.2 -16.8 36.5 400 650 A S T < S+ 0 0 86 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.609 77.7 115.3 -80.6 -12.7 34.3 -16.1 39.7 401 651 A L < - 0 0 7 -3,-2.7 2,-0.1 -4,-0.2 5,-0.0 -0.372 67.8-127.1 -57.2 126.5 32.6 -13.0 38.4 402 652 A E >> - 0 0 50 1,-0.1 3,-2.6 -2,-0.1 4,-1.1 -0.494 30.4-103.5 -69.0 149.9 28.8 -13.4 38.2 403 653 A D H 3> S+ 0 0 45 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.750 121.1 63.7 -46.8 -32.1 27.4 -12.4 34.7 404 654 A D H 34 S+ 0 0 5 -348,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.843 105.8 43.6 -63.5 -34.3 26.1 -9.2 36.2 405 655 A D H <> S+ 0 0 31 -3,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.667 105.5 60.9 -89.0 -18.3 29.7 -8.1 36.9 406 656 A V H >X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 3,-1.1 0.964 101.6 53.6 -68.5 -52.8 31.1 -9.2 33.6 407 657 A L H 3< S+ 0 0 28 -4,-1.8 4,-0.3 1,-0.3 -1,-0.2 0.751 104.5 57.8 -47.8 -31.1 28.8 -6.8 31.7 408 658 A H H 34 S+ 0 0 34 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.883 121.5 24.3 -69.0 -38.1 30.2 -4.1 34.0 409 659 A Y H S+ 0 0 2 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.949 114.2 40.2 -59.1 -52.0 34.3 -3.3 27.4 412 662 A Q H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.817 113.8 53.7 -73.5 -29.0 37.7 -2.9 29.1 413 663 A L H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.914 109.9 49.0 -66.0 -42.7 38.2 -6.7 29.2 414 664 A V H >< S+ 0 0 0 -4,-2.6 3,-0.8 -5,-0.3 4,-0.3 0.902 113.5 45.7 -61.3 -40.9 37.6 -6.7 25.4 415 665 A Q H >< S+ 0 0 6 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.882 101.3 68.7 -68.1 -33.1 40.0 -3.8 25.1 416 666 A A H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 4,-0.2 0.727 83.0 74.3 -56.8 -21.6 42.4 -5.7 27.4 417 667 A V G X< S+ 0 0 1 -3,-0.8 3,-1.7 -4,-0.6 -1,-0.3 0.798 80.1 70.7 -64.9 -27.3 42.9 -8.2 24.5 418 668 A K G < S+ 0 0 3 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.515 94.9 56.3 -65.6 -5.3 45.0 -5.7 22.7 419 669 A F G < S+ 0 0 10 -3,-1.9 -1,-0.3 -38,-0.2 -2,-0.2 0.481 81.6 108.0-104.3 -6.7 47.7 -6.3 25.4 420 670 A E < - 0 0 12 -3,-1.7 -34,-0.1 -4,-0.2 5,-0.1 -0.533 62.6-147.4 -71.3 133.4 47.8 -10.1 24.7 421 671 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.869 82.0 42.9 -62.5 -39.7 51.0 -11.3 23.0 422 672 A Y S S- 0 0 3 2,-0.1 -3,-0.0 1,-0.1 -2,-0.0 -0.840 77.7-128.1-117.2 147.7 49.2 -14.1 21.2 423 673 A H S S+ 0 0 15 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.829 102.2 62.8 -58.8 -35.0 45.9 -14.3 19.4 424 674 A D S S+ 0 0 26 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.858 75.4 150.9 -95.9 117.0 45.0 -17.4 21.5 425 675 A S > - 0 0 7 -2,-0.6 4,-2.8 1,-0.1 5,-0.2 -0.988 59.5-114.1-147.7 152.1 44.8 -16.4 25.2 426 676 A A H > S+ 0 0 47 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.886 119.1 51.2 -47.9 -43.0 43.2 -17.3 28.5 427 677 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 109.4 48.1 -68.2 -42.8 41.4 -13.9 28.3 428 678 A A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.940 113.2 48.1 -60.9 -47.1 40.1 -14.4 24.8 429 679 A R H X S+ 0 0 86 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.902 110.0 54.9 -59.4 -39.4 38.8 -17.9 25.7 430 680 A F H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.958 108.4 45.0 -57.9 -57.0 37.2 -16.4 28.8 431 681 A L H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.911 114.2 51.7 -54.2 -45.5 35.3 -13.7 26.9 432 682 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 3,-0.4 0.953 113.4 43.7 -52.3 -56.2 34.3 -16.4 24.4 433 683 A K H X S+ 0 0 58 -4,-3.0 4,-1.7 1,-0.2 3,-0.4 0.973 115.9 45.2 -55.6 -63.3 33.1 -18.7 27.2 434 684 A R H X S+ 0 0 5 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.645 112.6 55.2 -60.9 -16.3 31.2 -16.1 29.2 435 685 A G H < S+ 0 0 0 -4,-1.5 7,-0.6 -3,-0.4 3,-0.3 0.899 107.6 46.2 -79.8 -45.3 29.7 -14.8 26.0 436 686 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.4 -3,-0.1 0.746 109.0 56.3 -69.3 -26.9 28.2 -18.1 24.9 437 687 A R H < S+ 0 0 91 -4,-1.7 2,-0.5 1,-0.2 -1,-0.2 0.820 112.1 40.9 -74.9 -31.8 26.8 -18.8 28.3 438 688 A N X - 0 0 15 -4,-0.6 4,-3.1 -3,-0.3 -1,-0.2 -0.960 64.5-153.6-128.9 115.8 24.8 -15.5 28.5 439 689 A K H > S+ 0 0 30 -2,-0.5 4,-3.0 -389,-0.4 -1,-0.1 0.808 98.9 52.6 -52.3 -36.4 22.8 -14.0 25.5 440 690 A R H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.988 111.7 41.6 -68.0 -60.4 23.2 -10.6 27.0 441 691 A I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.918 116.4 54.9 -47.2 -43.7 27.0 -10.7 27.4 442 692 A G H X S+ 0 0 0 -4,-3.1 4,-2.8 -7,-0.6 -2,-0.2 0.960 105.3 50.6 -54.6 -56.8 27.0 -12.3 24.0 443 693 A H H X S+ 0 0 7 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.915 116.2 39.9 -47.1 -55.7 25.0 -9.5 22.4 444 694 A F H X S+ 0 0 23 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.891 110.9 57.9 -68.9 -38.0 27.3 -6.8 23.7 445 695 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.3 5,-0.3 0.927 104.0 55.5 -53.0 -46.9 30.4 -8.8 23.1 446 696 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.945 112.9 38.6 -49.6 -57.7 29.4 -9.0 19.4 447 697 A W H X S+ 0 0 0 -4,-1.6 4,-3.5 2,-0.2 -2,-0.2 0.894 112.4 56.8 -66.4 -40.2 29.1 -5.2 19.0 448 698 A F H X S+ 0 0 13 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.937 114.3 39.2 -55.9 -48.3 32.2 -4.5 21.1 449 699 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.891 115.4 52.3 -66.1 -44.2 34.3 -6.7 18.8 450 700 A R H X S+ 0 0 14 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.907 103.9 58.7 -59.0 -45.1 32.6 -5.5 15.7 451 701 A S H X S+ 0 0 1 -4,-3.5 4,-1.0 1,-0.2 -1,-0.2 0.896 112.0 39.5 -44.6 -51.5 33.3 -1.9 16.7 452 702 A E H X S+ 0 0 2 -4,-1.3 4,-1.2 2,-0.2 7,-0.3 0.786 110.8 57.9 -75.6 -32.0 37.1 -2.6 16.8 453 703 A I H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 107.6 49.9 -64.6 -37.3 37.0 -4.8 13.6 454 704 A A H < S+ 0 0 39 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.843 123.0 24.1 -71.0 -37.1 35.5 -1.9 11.7 455 705 A Q H < S+ 0 0 23 -4,-1.0 2,-0.4 -5,-0.2 -1,-0.2 0.341 109.0 68.1-122.2 11.0 37.9 0.9 12.6 456 706 A S X + 0 0 4 -4,-1.2 4,-0.9 1,-0.1 3,-0.5 -0.918 40.7 179.4-136.2 109.2 41.2 -0.6 13.7 457 707 A R T 4 S+ 0 0 113 -2,-0.4 4,-0.5 1,-0.2 3,-0.2 0.815 82.4 69.8 -70.5 -31.0 43.6 -2.4 11.3 458 708 A H T 4 S+ 0 0 16 1,-0.2 -182,-0.5 2,-0.1 -1,-0.2 0.776 120.4 12.6 -59.3 -26.8 46.0 -3.1 14.2 459 709 A Y T > S+ 0 0 4 -3,-0.5 4,-2.2 -7,-0.3 5,-0.3 0.324 94.2 100.7-135.0 8.8 43.6 -5.6 15.8 460 710 A Q H X S+ 0 0 33 -4,-0.9 4,-2.6 1,-0.2 5,-0.2 0.917 82.2 56.2 -64.5 -39.6 40.8 -6.5 13.3 461 711 A Q H > S+ 0 0 15 -4,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.876 113.3 41.0 -60.1 -39.4 42.4 -9.8 12.3 462 712 A R H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.938 115.3 47.1 -74.2 -53.0 42.5 -11.0 15.9 463 713 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.859 108.6 58.2 -59.2 -36.1 39.1 -9.7 17.1 464 714 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.867 104.6 50.4 -61.3 -37.9 37.6 -11.2 13.9 465 715 A V H X S+ 0 0 3 -4,-1.0 4,-2.1 -3,-0.4 -1,-0.2 0.922 112.1 47.4 -65.5 -42.6 38.8 -14.6 14.9 466 716 A I H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.871 113.3 48.1 -67.8 -38.2 37.3 -14.3 18.4 467 717 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.924 110.1 50.5 -69.3 -45.4 34.0 -13.0 17.0 468 718 A E H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.913 109.5 52.8 -56.5 -43.6 33.7 -15.8 14.4 469 719 A A H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.909 112.5 45.2 -56.7 -43.8 34.4 -18.3 17.2 470 720 A Y H >X S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-0.6 0.926 110.0 51.7 -66.5 -48.4 31.6 -16.7 19.2 471 721 A L H >X S+ 0 0 1 -4,-3.0 3,-1.0 1,-0.3 4,-0.6 0.869 100.0 64.1 -60.6 -37.0 29.0 -16.6 16.4 472 722 A R H 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.2 -317,-0.3 0.455 114.0 34.4 -66.0 0.7 29.6 -20.3 15.6 473 723 A G H <4 S+ 0 0 0 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.390 93.3 84.4-133.1 -1.0 28.1 -21.0 19.1 474 724 A C H << S- 0 0 0 -3,-1.0 4,-0.4 -4,-0.6 3,-0.1 0.747 90.8-121.9 -80.9 -23.0 25.5 -18.4 19.7 475 725 A G X - 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0 0 24 -513,-0.2 4,-1.8 -511,-0.0 3,-0.2 -0.461 67.8 -83.6 -99.4-176.7 52.3 9.9 27.7 781 1045 A K H > S+ 0 0 115 1,-0.2 4,-2.6 -2,-0.2 -2,-0.1 0.901 131.8 54.1 -52.8 -43.4 53.1 9.2 31.4 782 1046 A E H 4 S+ 0 0 135 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.822 103.7 53.5 -66.3 -36.7 51.9 12.7 32.2 783 1047 A D H >4 S+ 0 0 46 -3,-0.2 3,-0.7 1,-0.2 -1,-0.2 0.949 115.0 41.3 -59.5 -50.1 48.5 12.3 30.5 784 1048 A I H >< S+ 0 0 5 -4,-1.8 3,-1.3 1,-0.2 2,-0.7 0.876 104.0 67.0 -66.8 -40.3 47.9 9.2 32.6 785 1049 A E T 3< S+ 0 0 67 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.012 78.4 86.4 -78.2 32.4 49.3 10.7 35.8 786 1050 A Y T <> S+ 0 0 77 -2,-0.7 4,-2.5 -3,-0.7 3,-0.4 0.774 80.5 58.0 -90.9 -37.6 46.5 13.2 36.0 787 1051 A I H <> S+ 0 0 1 -3,-1.3 4,-1.8 1,-0.3 -2,-0.1 0.702 98.0 61.6 -72.1 -21.2 44.1 10.9 37.9 788 1052 A R H 4>S+ 0 0 51 -4,-0.3 5,-1.5 2,-0.2 4,-0.3 0.888 109.6 41.7 -64.1 -42.8 46.7 10.6 40.7 789 1053 A D H >45S+ 0 0 98 -3,-0.4 3,-1.2 -4,-0.3 -2,-0.2 0.946 113.7 52.0 -69.2 -50.3 46.4 14.3 41.2 790 1054 A A H 3<5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.827 118.3 37.5 -54.1 -37.5 42.6 14.3 40.8 791 1055 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.401 103.7-133.8 -98.3 1.6 42.3 11.5 43.4 792 1056 A T T < 5 - 0 0 15 -3,-1.2 3,-0.4 -4,-0.3 -3,-0.2 0.929 23.7-151.2 41.2 71.1 45.1 12.8 45.7 793 1057 A V S - 0 0 87 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.203 28.1-101.6 -72.7 166.9 44.5 11.5 54.0 797 1061 A E H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.783 119.5 51.1 -59.7 -31.7 40.7 11.7 54.0 798 1062 A E H > S+ 0 0 116 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.924 110.6 45.7 -76.8 -46.1 40.6 15.1 55.7 799 1063 A D H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.901 111.9 52.3 -62.4 -44.3 43.1 16.9 53.4 800 1064 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.825 103.2 58.5 -63.0 -35.8 41.4 15.5 50.2 801 1065 A K H X S+ 0 0 100 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.907 108.1 46.0 -57.1 -44.7 38.0 16.8 51.4 802 1066 A K H X S+ 0 0 131 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.771 109.1 57.2 -71.3 -28.0 39.5 20.3 51.6 803 1067 A Y H X S+ 0 0 75 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.945 111.1 41.1 -64.6 -49.8 41.0 19.7 48.1 804 1068 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.877 113.0 53.5 -67.8 -39.6 37.6 18.9 46.6 805 1069 A L H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.812 105.7 54.7 -66.7 -31.3 35.9 21.7 48.5 806 1070 A D H < S+ 0 0 104 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.877 102.8 56.7 -64.3 -39.4 38.4 24.2 47.1 807 1071 A Q H >X S+ 0 0 25 -4,-1.4 4,-1.7 1,-0.2 3,-1.6 0.930 107.5 47.8 -56.6 -48.9 37.5 23.0 43.6 808 1072 A I H 3X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.3 3,-0.4 0.955 107.8 56.5 -51.4 -52.6 33.9 24.0 44.3 809 1073 A E H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.186 104.5 53.2 -74.2 17.1 35.2 27.3 45.7 810 1074 A V H <> S+ 0 0 49 -3,-1.6 4,-0.7 2,-0.1 -1,-0.2 0.618 108.7 47.7-106.6 -42.0 37.0 27.9 42.3 811 1075 A C H X S+ 0 0 4 -4,-1.7 4,-0.8 -3,-0.4 -2,-0.2 0.821 114.4 48.0 -64.1 -35.4 33.7 27.3 40.3 812 1076 A R H >< S+ 0 0 18 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.935 112.5 48.1 -66.1 -48.2 32.0 29.6 42.8 813 1077 A D H 34 S+ 0 0 122 1,-0.2 -2,-0.2 -5,-0.2 -1,-0.2 0.539 111.8 51.6 -72.7 -7.7 34.7 32.2 42.4 814 1078 A K H >< S+ 0 0 64 -4,-0.7 3,-2.5 1,-0.2 2,-0.8 0.610 75.6 170.9-103.8 -19.8 34.6 31.9 38.6 815 1079 A G T << S- 0 0 23 -4,-0.8 -1,-0.2 -3,-0.7 4,-0.1 -0.212 73.6 -18.8 52.4 -90.4 30.8 32.4 38.1 816 1080 A W T 3> S+ 0 0 43 -2,-0.8 4,-2.9 -92,-0.1 -1,-0.3 0.337 105.3 106.1-129.9 -2.7 30.3 32.8 34.4 817 1081 A T H <> S+ 0 0 69 -3,-2.5 4,-2.0 1,-0.2 -2,-0.1 0.876 86.5 40.1 -47.7 -49.1 33.9 33.7 33.2 818 1082 A V H > S+ 0 0 14 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.897 115.0 49.0 -76.0 -43.7 34.5 30.2 31.7 819 1083 A Q H > S+ 0 0 13 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.926 114.5 48.7 -57.7 -45.5 31.1 29.6 30.1 820 1084 A F H >X S+ 0 0 91 -4,-2.9 4,-1.5 1,-0.2 3,-0.6 0.889 106.7 55.2 -59.6 -44.4 31.4 33.1 28.6 821 1085 A N H 3< S+ 0 0 65 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.798 103.6 55.6 -62.8 -30.6 34.9 32.4 27.3 822 1086 A W H 3X>S+ 0 0 57 -4,-1.6 4,-3.7 -3,-0.2 5,-0.6 0.808 103.1 57.1 -65.9 -32.4 33.5 29.4 25.5 823 1087 A F H S+ 0 0 33 -4,-1.0 5,-1.2 -3,-0.6 4,-0.6 0.903 106.8 45.4 -68.5 -43.4 31.1 31.7 23.7 824 1088 A L H <5S+ 0 0 95 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.605 122.4 43.3 -70.6 -13.0 33.8 34.0 22.3 825 1089 A H H 45S+ 0 0 131 -4,-0.4 -2,-0.2 -5,-0.2 -3,-0.2 0.897 124.9 22.9 -97.2 -64.9 35.5 30.7 21.4 826 1090 A L H <5S+ 0 0 79 -4,-3.7 -3,-0.2 1,-0.1 -2,-0.1 0.949 134.0 32.4 -74.3 -52.2 32.9 28.3 19.9 827 1091 A V T << 0 0 79 -5,-0.6 -3,-0.2 -4,-0.6 -1,-0.1 0.772 360.0 360.0 -79.0 -27.7 30.2 30.7 18.7 828 1092 A L < 0 0 134 -5,-1.2 -4,-0.1 -6,-0.3 0, 0.0 -0.307 360.0 360.0-141.3 360.0 32.5 33.6 17.8