==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-AUG-11 3T8M . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,C.WIESMANN . 841 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 67.4 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 . 108 12.8 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 . 1 0.1 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 . 55 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 3 3 2 2 1 0 1 3 0 2 3 0 1 3 1 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 5 3 3 4 2 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 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 1 143 A M 0 0 121 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.6 32.3 18.4 3.0 2 144 A S > - 0 0 75 1,-0.1 4,-1.1 3,-0.1 3,-0.5 -0.034 360.0-116.7 -52.3 150.6 28.7 18.6 1.7 3 145 A E H > S+ 0 0 159 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.710 116.3 63.6 -60.9 -24.7 27.7 21.6 -0.5 4 146 A E H > S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.917 99.2 51.8 -62.7 -48.9 25.3 22.5 2.2 5 147 A S H > S+ 0 0 43 -3,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.794 105.6 54.2 -58.2 -37.4 28.2 23.1 4.7 6 148 A Q H X S+ 0 0 111 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.883 107.9 50.5 -64.9 -43.3 30.1 25.4 2.2 7 149 A A H X S+ 0 0 44 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.809 109.2 53.7 -59.6 -35.2 26.9 27.6 1.9 8 150 A F H X S+ 0 0 21 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.900 104.9 50.5 -67.6 -45.6 26.8 27.6 5.8 9 151 A Q H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.784 108.7 55.5 -60.1 -32.8 30.5 29.0 6.1 10 152 A R H X S+ 0 0 202 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.831 106.4 50.5 -65.7 -38.0 29.4 31.6 3.6 11 153 A Q H X S+ 0 0 81 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.930 110.0 48.2 -68.8 -48.9 26.6 32.5 6.0 12 154 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.890 106.6 58.5 -57.5 -46.6 28.9 32.8 8.9 13 155 A T H X>S+ 0 0 35 -4,-2.0 4,-2.7 1,-0.2 5,-0.7 0.904 106.3 47.9 -51.7 -42.5 31.2 35.0 6.9 14 156 A A H <5S+ 0 0 60 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.814 114.5 45.8 -72.7 -26.8 28.5 37.5 6.3 15 157 A L H <5S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.908 117.1 43.8 -78.3 -39.7 27.5 37.6 9.9 16 158 A I H <5S- 0 0 1 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.887 97.9-135.4 -70.1 -45.4 31.1 37.9 11.1 17 159 A G T <5S+ 0 0 50 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.537 78.3 74.1 94.5 10.9 32.2 40.5 8.5 18 160 A Y S - 0 0 54 -2,-0.3 3,-2.0 1,-0.1 -9,-0.1 -0.788 18.9-171.3 -95.7 101.7 36.3 35.3 6.0 20 162 A V T 3 S+ 0 0 13 -2,-0.9 -1,-0.1 1,-0.3 15,-0.1 0.544 86.0 60.2 -66.7 -8.4 38.1 33.0 8.5 21 163 A T T 3 S+ 0 0 59 -12,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.422 77.3 114.5 -98.2 3.6 39.0 30.6 5.6 22 164 A D < + 0 0 66 -3,-2.0 3,-0.2 1,-0.1 0, 0.0 -0.583 39.2 177.8 -79.6 125.6 41.0 33.4 4.0 23 165 A V > + 0 0 106 -2,-0.5 3,-0.8 1,-0.1 -1,-0.1 0.188 50.4 103.1-110.4 10.3 44.6 32.4 4.0 24 166 A S T 3 S+ 0 0 82 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.829 83.8 42.7 -62.9 -37.1 46.0 35.4 2.1 25 167 A N T 3 S+ 0 0 5 -3,-0.2 265,-0.4 265,-0.0 2,-0.3 -0.191 93.8 94.5-105.9 28.9 47.4 37.2 5.2 26 168 A V < - 0 0 47 -3,-0.8 3,-0.1 263,-0.1 263,-0.0 -0.923 45.4-169.2-123.2 158.8 49.1 34.4 7.2 27 169 A H S S+ 0 0 63 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.133 80.5 10.9-123.0 5.4 52.6 33.1 7.4 28 170 A D S S- 0 0 44 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.937 85.7 -90.9-164.4-173.8 51.7 30.0 9.4 29 171 A D S > S+ 0 0 50 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.112 75.8 118.1 -99.8 15.6 48.7 27.9 10.6 30 172 A E H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.907 79.6 46.9 -50.5 -46.2 48.0 29.5 14.0 31 173 A L H > S+ 0 0 21 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.906 115.3 43.7 -64.0 -46.4 44.6 30.6 13.0 32 174 A E H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 112.8 53.4 -63.9 -42.8 43.5 27.3 11.5 33 175 A F H X S+ 0 0 68 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.922 110.4 48.4 -56.5 -44.9 45.0 25.4 14.4 34 176 A T H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.868 105.4 56.1 -67.2 -43.7 42.9 27.6 16.7 35 177 A R H X S+ 0 0 41 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.949 114.9 41.2 -51.8 -46.0 39.7 27.1 14.8 36 178 A R H >X S+ 0 0 129 -4,-2.3 3,-1.3 1,-0.2 4,-0.6 0.920 111.2 55.9 -69.1 -40.8 40.3 23.4 15.3 37 179 A G H >< S+ 0 0 20 -4,-2.9 3,-0.6 1,-0.3 -2,-0.2 0.892 105.1 53.9 -60.5 -32.1 41.4 23.9 18.9 38 180 A L H 3X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.603 86.6 80.9 -79.9 -12.1 38.2 25.7 19.8 39 181 A V H S+ 0 0 15 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.880 116.0 48.3 -57.1 -41.8 35.5 23.8 24.2 42 184 A R H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 3,-0.5 0.963 111.6 44.9 -63.3 -54.6 32.5 24.6 22.0 43 185 A M H X S+ 0 0 89 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.903 111.9 56.2 -58.1 -38.5 31.1 21.1 21.7 44 186 A A H X S+ 0 0 58 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.834 110.6 42.1 -59.1 -40.3 31.7 20.6 25.4 45 187 A E H X S+ 0 0 13 -4,-1.5 4,-1.8 -3,-0.5 -1,-0.2 0.869 114.2 50.8 -77.6 -40.3 29.6 23.7 26.4 46 188 A V H < S+ 0 0 39 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.940 114.0 45.0 -58.1 -49.3 26.8 23.0 24.0 47 189 A A H < S+ 0 0 89 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.749 115.3 49.5 -69.4 -24.4 26.6 19.4 25.2 48 190 A S H < S+ 0 0 90 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.764 89.8 94.6 -84.4 -31.2 26.7 20.5 28.8 49 191 A R S < S- 0 0 30 -4,-1.8 408,-0.0 -3,-0.2 407,-0.0 -0.410 78.6-113.5 -73.2 145.0 24.0 23.3 28.8 50 192 A D > - 0 0 80 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.604 19.5-145.3 -76.8 118.7 20.4 22.8 29.8 51 193 A P H > S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.852 94.3 47.6 -54.0 -38.7 18.2 23.2 26.8 52 194 A K H > S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.979 116.1 39.7 -71.1 -57.4 15.3 24.8 28.8 53 195 A L H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.814 115.7 55.1 -62.1 -32.1 17.2 27.3 30.8 54 196 A Y H < S+ 0 0 8 -4,-2.3 404,-0.4 1,-0.2 -1,-0.2 0.907 107.7 48.7 -67.2 -38.8 19.3 28.0 27.8 55 197 A A H < S+ 0 0 8 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.821 119.9 36.7 -68.9 -37.4 16.2 28.8 25.7 56 198 A M H < S- 0 0 16 -4,-1.9 70,-0.7 -5,-0.1 -1,-0.2 0.610 86.1-160.7 -96.3 -7.6 14.7 31.1 28.3 57 199 A H < - 0 0 20 -4,-1.5 -3,-0.1 -5,-0.2 69,-0.1 0.794 13.3-152.4 32.0 53.6 18.0 32.6 29.4 58 200 A P - 0 0 24 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.270 8.0-132.9 -53.5 140.2 16.6 33.9 32.8 59 201 A W + 0 0 75 67,-0.4 78,-2.2 363,-0.0 79,-0.4 -0.793 42.8 158.1-103.7 106.3 18.6 37.0 34.0 60 202 A V B -A 136 0A 38 -2,-0.9 363,-0.4 76,-0.2 2,-0.3 -0.767 28.5-157.4-129.9 165.8 19.5 36.5 37.6 61 203 A T - 0 0 0 74,-2.1 -2,-0.0 -2,-0.2 361,-0.0 -0.969 17.3-153.6-144.0 150.2 21.8 37.5 40.4 62 204 A S + 0 0 98 -2,-0.3 -1,-0.0 2,-0.1 73,-0.0 0.380 66.0 113.3 -96.9 -11.1 23.0 36.0 43.7 63 205 A K S S- 0 0 57 72,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.326 75.3-104.7 -63.9 150.9 23.7 39.5 45.1 64 206 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.379 39.8 -95.3 -74.0 153.4 21.5 40.7 48.0 65 207 A L - 0 0 8 1,-0.1 5,-0.1 -2,-0.1 70,-0.1 -0.625 50.3-113.2 -68.2 126.9 18.8 43.3 47.4 66 208 A P >> - 0 0 7 0, 0.0 3,-1.3 0, 0.0 4,-1.1 -0.225 17.6-115.1 -61.3 155.4 20.4 46.7 48.1 67 209 A E H >> S+ 0 0 142 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.912 115.2 59.0 -54.3 -49.9 19.1 48.8 51.1 68 210 A Y H 34 S+ 0 0 60 1,-0.3 -1,-0.3 560,-0.2 4,-0.2 0.602 108.0 46.5 -60.9 -10.1 17.8 51.5 48.8 69 211 A L H X4 S+ 0 0 12 -3,-1.3 3,-0.6 2,-0.1 -1,-0.3 0.653 102.2 61.8-104.3 -20.8 15.5 49.0 47.1 70 212 A W H X< S+ 0 0 97 -4,-1.1 3,-2.4 -3,-0.9 -2,-0.2 0.841 91.0 73.0 -71.2 -28.3 14.3 47.4 50.4 71 213 A K T 3< S+ 0 0 186 -4,-1.6 -1,-0.2 1,-0.3 3,-0.2 0.840 91.8 53.6 -50.8 -38.1 12.9 50.9 51.1 72 214 A K T < S+ 0 0 92 -3,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.538 109.3 53.4 -79.8 -3.9 10.2 50.3 48.5 73 215 A I < + 0 0 10 -3,-2.4 -1,-0.2 -4,-0.2 5,-0.1 -0.803 53.2 137.3-132.6 93.4 9.2 47.1 50.2 74 216 A A S S+ 0 0 101 -2,-0.4 -1,-0.1 -3,-0.2 -3,-0.1 0.431 73.2 62.3-109.4 -6.2 8.4 47.6 53.9 75 217 A N S S- 0 0 93 2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.340 105.0-124.6 -97.7 1.9 5.3 45.4 53.8 76 218 A N S S+ 0 0 96 1,-0.2 2,-0.3 -6,-0.2 -3,-0.1 0.748 77.2 111.9 57.8 25.3 7.4 42.3 52.8 77 219 A C - 0 0 50 17,-0.2 2,-0.4 18,-0.1 -2,-0.3 -0.973 49.0-165.8-131.5 143.3 5.1 42.0 49.8 78 220 A I E -B 93 0B 6 15,-3.9 15,-2.5 -2,-0.3 2,-0.6 -0.997 16.8-137.2-130.0 133.6 5.5 42.4 46.0 79 221 A F E -B 92 0B 109 -2,-0.4 70,-0.8 13,-0.2 2,-0.5 -0.784 17.8-174.2 -98.6 119.2 2.7 42.8 43.5 80 222 A I E -Bc 91 149B 5 11,-2.2 11,-1.1 -2,-0.6 2,-0.8 -0.955 14.7-147.7-109.0 129.2 3.0 40.9 40.2 81 223 A V E -Bc 90 150B 10 68,-3.1 70,-3.3 -2,-0.5 2,-0.3 -0.844 14.6-165.3-100.0 110.0 0.3 41.5 37.5 82 224 A I E - c 0 151B 6 7,-1.7 2,-0.3 -2,-0.8 70,-0.2 -0.716 5.7-168.9 -90.9 144.9 -0.3 38.4 35.5 83 225 A H E + c 0 152B 46 68,-1.5 70,-1.9 -2,-0.3 5,-0.2 -0.967 14.2 177.4-130.7 150.3 -2.3 38.7 32.1 84 226 A R - 0 0 132 3,-1.3 2,-0.4 -2,-0.3 3,-0.4 -0.525 68.0 -56.6-158.3 87.4 -3.8 36.1 29.8 85 227 A S S S+ 0 0 109 1,-0.2 3,-0.1 -2,-0.1 67,-0.0 0.106 123.7 2.4 65.0 -15.4 -5.7 37.2 26.7 86 228 A T S S+ 0 0 128 1,-0.7 -1,-0.2 -2,-0.4 2,-0.2 0.264 116.4 29.5-151.0 -71.6 -8.2 39.4 28.5 87 229 A T - 0 0 119 -3,-0.4 -3,-1.3 -4,-0.0 -1,-0.7 -0.453 59.5-149.0 -93.3 168.4 -8.4 40.1 32.2 88 230 A S - 0 0 53 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.900 1.1-154.6-149.3 114.1 -5.5 40.2 34.6 89 231 A Q - 0 0 102 -2,-0.3 -7,-1.7 -7,-0.2 2,-0.9 -0.658 18.5-134.7 -88.3 136.6 -5.5 39.4 38.3 90 232 A T E -B 81 0B 68 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.789 20.2-153.5-101.8 95.5 -2.8 41.0 40.5 91 233 A I E -B 80 0B 14 -11,-1.1 -11,-2.2 -2,-0.9 2,-0.4 -0.418 10.2-134.0 -65.2 128.5 -1.2 38.4 42.7 92 234 A K E -B 79 0B 161 -13,-0.2 2,-0.3 -2,-0.2 -13,-0.2 -0.737 34.2-171.3 -82.9 134.8 0.4 39.6 46.1 93 235 A V E -B 78 0B 3 -15,-2.5 -15,-3.9 -2,-0.4 9,-0.0 -0.862 25.2-126.3-133.1 156.6 3.8 37.9 46.4 94 236 A S > - 0 0 36 -2,-0.3 3,-3.2 -17,-0.2 39,-0.3 -0.886 29.9-121.0-100.4 133.2 6.6 37.5 49.0 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.2 0, 0.0 40,-0.2 0.607 113.3 53.2 -50.1 -13.4 10.2 38.5 48.0 96 238 A D T 3 S+ 0 0 107 36,-0.1 39,-0.0 37,-0.1 2,-0.0 0.534 82.5 116.6 -99.2 -13.4 11.3 35.0 48.6 97 239 A D < - 0 0 49 -3,-3.2 36,-2.5 35,-0.1 37,-0.2 -0.305 59.9-133.6 -60.5 142.2 8.7 33.3 46.5 98 240 A T > - 0 0 34 34,-0.2 4,-2.5 35,-0.1 3,-0.4 -0.608 22.9-112.6 -90.9 150.3 9.9 31.2 43.5 99 241 A P H > S+ 0 0 7 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.898 121.1 48.1 -52.5 -42.7 8.2 31.6 40.1 100 242 A G H 4 S+ 0 0 39 29,-0.2 4,-0.4 1,-0.2 30,-0.1 0.817 111.0 53.8 -68.0 -22.8 6.8 28.1 40.3 101 243 A A H >> S+ 0 0 41 -3,-0.4 4,-1.7 1,-0.2 3,-1.2 0.904 105.6 48.2 -77.8 -46.6 5.6 28.9 43.8 102 244 A I H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.651 106.3 62.6 -67.4 -13.2 3.7 32.0 42.9 103 245 A L T 3X S+ 0 0 15 -4,-0.7 4,-2.1 -5,-0.3 3,-0.3 0.687 103.5 48.0 -80.6 -19.3 2.3 29.7 40.1 104 246 A Q H <> S+ 0 0 130 -3,-1.2 4,-1.3 -4,-0.4 5,-0.5 0.824 107.4 52.7 -84.5 -40.1 0.9 27.5 42.9 105 247 A S H < S+ 0 0 54 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.1 0.205 118.5 42.5 -78.4 11.7 -0.6 30.5 44.8 106 248 A F H > S+ 0 0 26 -3,-0.3 4,-0.6 -5,-0.2 -2,-0.2 0.639 112.4 43.1-116.2 -71.1 -2.2 31.2 41.4 107 249 A F H >X S+ 0 0 41 -4,-2.1 4,-2.1 1,-0.2 3,-0.6 0.879 125.0 37.6 -45.7 -48.9 -3.5 28.0 39.8 108 250 A T H 3< S+ 0 0 104 -4,-1.3 -1,-0.2 1,-0.2 -3,-0.2 0.887 110.4 60.9 -74.3 -37.0 -5.0 26.8 43.1 109 251 A K H 34 S+ 0 0 117 -5,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.593 126.5 17.9 -64.5 -5.0 -6.0 30.4 44.0 110 252 A M H << 0 0 92 -4,-0.6 -2,-0.2 -3,-0.6 -3,-0.2 0.616 360.0 360.0-127.2 -73.3 -8.1 30.1 40.8 111 253 A A < 0 0 128 -4,-2.1 -3,-0.1 -5,-0.2 -2,-0.0 0.015 360.0 360.0 49.2 360.0 -8.8 26.5 39.5 112 ! 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 0 195 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.1 -1.8 22.1 33.2 114 268 A Q + 0 0 127 1,-0.1 2,-0.1 -7,-0.0 -11,-0.0 0.219 360.0 105.9-106.7 8.0 1.5 23.3 34.8 115 269 A D + 0 0 108 2,-0.0 2,-0.2 40,-0.0 -1,-0.1 0.008 60.0 98.0 -76.7 27.5 3.2 23.3 31.4 116 270 A F - 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0 0 87 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.947 360.0-129.5 60.8 92.2 63.8 31.2 57.4 315 546 A E - 0 0 142 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.550 18.4-116.3 -87.7 134.3 61.7 33.9 58.9 316 547 A M - 0 0 13 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.259 32.1-110.9 -60.1 135.8 61.7 37.4 57.5 317 548 A P > - 0 0 66 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.436 29.5-111.1 -67.1 151.9 62.9 40.2 59.8 318 549 A N H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.884 114.7 46.9 -48.4 -51.1 60.2 42.7 61.0 319 550 A Q H > S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.817 111.2 47.7 -69.2 -36.2 61.7 45.6 59.0 320 551 A L H > S+ 0 0 56 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.914 111.6 53.1 -67.0 -36.0 62.2 43.8 55.6 321 552 A R H X S+ 0 0 47 -4,-2.4 4,-3.2 1,-0.3 -2,-0.2 0.912 106.5 52.3 -65.3 -35.4 58.7 42.4 56.0 322 553 A K H X S+ 0 0 134 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.3 0.827 109.6 48.4 -66.4 -37.0 57.4 45.9 56.5 323 554 A Q H X S+ 0 0 96 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.922 112.8 50.1 -67.7 -42.3 59.2 47.1 53.3 324 555 A L H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.929 111.2 46.2 -59.4 -53.5 57.7 44.1 51.6 325 556 A E H X S+ 0 0 88 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.844 110.3 54.9 -62.2 -31.8 54.2 44.8 52.8 326 557 A A H X S+ 0 0 57 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.937 107.6 49.3 -65.1 -45.5 54.6 48.5 51.9 327 558 A I H < S+ 0 0 13 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.884 111.3 50.2 -57.8 -39.9 55.5 47.5 48.3 328 559 A I H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 105.3 57.0 -70.1 -34.2 52.5 45.3 48.1 329 560 A A H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.764 86.2 102.8 -70.7 -23.3 50.2 48.0 49.4 330 561 A T S < S- 0 0 32 -4,-1.2 -3,-0.0 -3,-0.4 484,-0.0 -0.045 80.6 -93.4 -60.9 159.7 51.1 50.4 46.5 331 562 A D > - 0 0 16 1,-0.1 3,-2.0 4,-0.0 -1,-0.1 -0.235 35.3-101.8 -73.1 159.6 48.8 51.0 43.6 332 563 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.794 121.7 50.4 -51.6 -29.8 48.9 49.1 40.2 333 564 A L T 3 S+ 0 0 48 2,-0.1 473,-0.0 472,-0.1 -2,-0.0 0.379 78.5 115.0 -90.9 -7.1 50.7 52.1 38.6 334 565 A N S < S- 0 0 59 -3,-2.0 2,-0.2 -7,-0.1 -4,-0.0 -0.552 72.9-118.2 -64.9 132.2 53.4 52.5 41.2 335 566 A P - 0 0 93 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.519 20.4-130.3 -74.2 139.8 56.7 51.7 39.5 336 567 A L - 0 0 33 -2,-0.2 -9,-0.0 27,-0.1 2,-0.0 -0.824 21.3-141.2 -92.3 118.7 58.7 48.8 40.9 337 568 A T > - 0 0 84 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.273 25.3-110.2 -70.8 163.0 62.3 49.7 41.6 338 569 A A H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.896 124.6 52.8 -59.4 -39.0 65.1 47.2 40.9 339 570 A E H > S+ 0 0 145 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 107.6 51.0 -60.7 -42.0 65.4 47.1 44.7 340 571 A D H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.926 109.0 49.6 -62.7 -47.6 61.7 46.3 45.0 341 572 A K H X S+ 0 0 69 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.879 108.5 52.4 -60.6 -43.7 61.7 43.4 42.5 342 573 A E H X S+ 0 0 144 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.872 110.5 49.3 -60.7 -37.9 64.7 41.7 44.1 343 574 A L H X S+ 0 0 22 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.978 110.5 49.1 -63.6 -50.1 62.8 41.8 47.5 344 575 A L H < S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.2 -2,-0.2 0.838 116.4 43.3 -58.2 -38.8 59.7 40.4 46.0 345 576 A W H >< S+ 0 0 42 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 0.902 112.8 48.4 -76.1 -51.6 61.6 37.5 44.3 346 577 A H H 3< S+ 0 0 138 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.937 117.8 43.4 -54.5 -45.8 64.0 36.6 47.1 347 578 A F T 3X S+ 0 0 38 -4,-2.7 4,-2.7 -5,-0.2 3,-0.3 -0.242 79.4 139.8 -91.6 32.4 60.9 36.5 49.4 348 579 A R H <> + 0 0 39 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.882 66.4 48.0 -39.5 -54.2 58.9 34.7 46.8 349 580 A Y H 4 S+ 0 0 89 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.805 113.0 47.5 -72.3 -24.6 57.2 32.3 49.2 350 581 A E H >4 S+ 0 0 28 -3,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.899 109.8 54.2 -78.5 -42.4 56.2 34.9 51.6 351 582 A S H >< S+ 0 0 0 -4,-2.7 3,-1.8 -7,-0.3 6,-0.3 0.819 98.2 64.3 -55.7 -41.9 54.9 37.1 48.7 352 583 A L T 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.578 88.5 69.7 -61.9 -8.3 52.7 34.2 47.5 353 584 A K T < S+ 0 0 113 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.554 92.2 65.0 -89.3 0.5 50.7 34.5 50.7 354 585 A H X> - 0 0 53 -3,-1.8 3,-2.4 -4,-0.2 4,-0.6 -0.917 66.2-163.0-127.0 98.8 49.3 37.8 49.5 355 586 A P G >4 S+ 0 0 29 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.844 92.6 62.5 -47.7 -35.9 47.1 37.5 46.4 356 587 A K G 34 S+ 0 0 116 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.691 96.8 58.0 -67.3 -16.5 47.5 41.3 46.0 357 588 A A G <> S+ 0 0 0 -3,-2.4 4,-3.4 -6,-0.3 5,-0.3 0.682 80.5 93.0 -81.9 -19.5 51.3 40.8 45.5 358 589 A Y H S+ 0 0 6 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.928 117.8 45.5 -67.3 -42.0 51.0 41.2 39.8 360 591 A K H 4 S+ 0 0 14 -4,-0.4 -2,-0.2 2,-0.2 4,-0.1 0.907 114.6 50.1 -63.9 -40.4 54.0 42.9 41.5 361 592 A L H >< S+ 0 0 1 -4,-3.4 3,-1.6 1,-0.2 -1,-0.2 0.924 109.6 48.4 -66.1 -45.8 55.7 39.5 42.0 362 593 A F H >< S+ 0 0 3 -4,-2.9 3,-0.8 -5,-0.3 -1,-0.2 0.768 107.5 56.4 -72.0 -16.5 55.2 38.3 38.5 363 594 A S T 3< S+ 0 0 37 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.441 100.4 61.9 -84.3 -3.1 56.6 41.6 37.2 364 595 A S T < S+ 0 0 11 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.2 0.372 82.5 109.1 -99.0 -4.0 59.6 40.8 39.3 365 596 A V < - 0 0 4 -3,-0.8 2,-1.3 -4,-0.1 3,-0.1 -0.610 69.9-136.7 -78.5 139.0 60.3 37.7 37.3 366 597 A K > - 0 0 134 -2,-0.3 3,-1.2 1,-0.2 7,-0.2 -0.783 25.1-177.2 -91.3 95.0 63.3 37.6 34.9 367 598 A W T 3 S+ 0 0 9 -2,-1.3 -1,-0.2 1,-0.3 6,-0.1 0.730 73.6 68.4 -71.3 -18.5 61.3 36.0 32.1 368 599 A G T 3 S+ 0 0 12 -3,-0.1 2,-0.5 -132,-0.1 -1,-0.3 0.238 86.3 79.8 -85.3 13.9 64.5 35.8 30.0 369 600 A Q <> - 0 0 85 -3,-1.2 4,-2.4 1,-0.2 5,-0.2 -0.964 65.1-157.5-122.7 112.5 66.0 33.2 32.3 370 601 A Q H > S+ 0 0 68 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.921 94.6 51.7 -50.2 -45.8 64.9 29.6 31.9 371 602 A E H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 111.5 46.6 -62.8 -39.7 65.9 28.6 35.5 372 603 A I H > S+ 0 0 22 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.897 111.1 50.8 -69.4 -45.7 63.9 31.5 37.0 373 604 A V H X S+ 0 0 17 -4,-2.4 4,-2.6 -7,-0.2 5,-0.2 0.942 110.1 51.7 -57.3 -44.1 60.8 30.9 34.9 374 605 A A H X S+ 0 0 39 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.910 108.1 49.9 -58.5 -43.8 61.0 27.3 36.0 375 606 A K H X S+ 0 0 84 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.851 108.8 55.3 -64.2 -30.7 61.2 28.4 39.6 376 607 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.3 0.914 106.6 47.3 -68.3 -47.2 58.3 30.5 38.9 377 608 A Y H X S+ 0 0 86 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.874 111.9 52.1 -60.9 -33.5 56.3 27.5 37.6 378 609 A Q H X S+ 0 0 114 -4,-2.3 4,-0.8 1,-0.2 3,-0.3 0.866 107.2 53.4 -66.4 -39.3 57.4 25.6 40.7 379 610 A L H >< S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.942 107.3 50.1 -60.8 -48.3 56.1 28.5 42.7 380 611 A L H 3< S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.664 93.9 77.3 -66.2 -18.7 52.7 28.3 40.9 381 612 A A H 3< S+ 0 0 83 -4,-1.0 2,-1.3 -3,-0.3 -1,-0.2 0.916 93.4 48.5 -56.4 -48.0 52.5 24.6 41.7 382 613 A R S << S+ 0 0 142 -4,-0.8 -1,-0.3 -3,-0.7 3,-0.2 -0.735 70.8 150.5 -98.1 89.6 51.6 25.2 45.4 383 614 A R >> + 0 0 71 -2,-1.3 4,-2.4 -3,-0.2 3,-1.0 0.272 20.8 123.9-105.6 8.1 48.8 27.7 44.7 384 615 A E H 3> S+ 0 0 135 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.798 72.1 52.1 -40.0 -50.2 46.6 27.0 47.7 385 616 A V H 34 S+ 0 0 54 -3,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.892 114.7 42.5 -59.8 -41.6 46.6 30.6 49.0 386 617 A W H X4 S+ 0 0 2 -3,-1.0 3,-1.9 1,-0.2 -2,-0.2 0.959 111.1 54.9 -68.1 -52.2 45.5 32.0 45.7 387 618 A D H 3< S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.758 112.8 42.2 -55.6 -32.2 42.9 29.2 45.0 388 619 A Q T 3< S+ 0 0 163 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.408 91.1 110.0 -96.8 1.9 41.1 29.8 48.2 389 620 A S S < S- 0 0 29 -3,-1.9 2,-0.2 -4,-0.3 3,-0.1 -0.404 80.6 -99.6 -74.7 150.5 41.2 33.6 48.1 390 621 A A - 0 0 92 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.568 50.0 -95.4 -68.9 135.1 38.0 35.6 47.4 391 622 A L - 0 0 51 -2,-0.2 2,-0.5 25,-0.1 -1,-0.1 -0.273 40.5-170.6 -53.1 127.8 37.7 36.6 43.8 392 623 A D > - 0 0 60 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.942 8.1-163.8-126.6 102.4 39.0 40.2 43.3 393 624 A V H > S+ 0 0 22 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.905 89.4 54.7 -56.8 -41.7 38.1 41.3 39.7 394 625 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.938 111.3 45.6 -58.0 -40.7 40.6 44.2 39.9 395 626 A L H > S+ 0 0 7 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.919 112.1 50.9 -69.3 -44.3 43.4 41.8 40.8 396 627 A T H >< S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 4,-0.4 0.933 109.0 49.8 -59.5 -45.4 42.4 39.3 38.1 397 628 A M H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 4,-0.5 0.802 101.1 64.7 -65.5 -31.2 42.3 41.8 35.3 398 629 A Q H >< S+ 0 0 15 -4,-1.5 3,-0.8 -5,-0.3 -1,-0.3 0.883 101.4 50.7 -59.5 -35.6 45.8 43.1 36.4 399 630 A L T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.551 107.3 54.9 -81.4 -5.9 47.1 39.7 35.4 400 631 A L T < S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.4 38,-0.2 0.379 89.2 96.9-101.2 2.0 45.4 39.9 31.9 401 632 A D S X S- 0 0 11 -3,-0.8 3,-1.3 -4,-0.5 -3,-0.0 0.007 97.0 -78.9 -85.6-169.6 46.8 43.2 30.8 402 633 A C T 3 S+ 0 0 9 1,-0.3 -1,-0.1 37,-0.0 -3,-0.1 0.535 118.0 72.4 -69.5 -10.9 49.9 43.8 28.5 403 634 A N T 3 S+ 0 0 74 -5,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.404 90.0 62.3 -81.9 -11.9 52.4 43.2 31.3 404 635 A F < + 0 0 8 -3,-1.3 -1,-0.1 1,-0.1 -201,-0.1 -0.960 44.2 159.2-124.4 113.8 51.9 39.5 31.5 405 636 A S + 0 0 19 -2,-0.5 2,-0.3 34,-0.1 -1,-0.1 0.527 43.7 112.0-102.3 -8.1 52.8 37.3 28.5 406 637 A D > - 0 0 3 1,-0.1 4,-2.4 33,-0.0 5,-0.2 -0.493 60.9-146.4 -75.3 127.4 53.2 34.1 30.4 407 638 A E H > S+ 0 0 97 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.900 97.9 47.4 -54.8 -46.9 50.5 31.5 29.6 408 639 A N H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 110.2 50.6 -68.9 -41.9 50.5 30.1 33.2 409 640 A V H >> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.956 114.3 45.7 -61.3 -43.4 50.3 33.4 34.9 410 641 A R H 3X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.866 106.1 60.5 -70.8 -31.3 47.4 34.4 32.8 411 642 A A H 3X S+ 0 0 37 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.809 100.8 52.9 -63.5 -35.4 45.6 31.1 33.3 412 643 A I H X S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.3 3,-0.8 0.970 111.9 45.5 -65.9 -53.8 43.7 34.9 36.4 414 645 A V H 3X S+ 0 0 5 -4,-2.4 4,-1.4 1,-0.3 -2,-0.2 0.836 105.7 61.6 -56.1 -33.9 41.3 33.1 34.1 415 646 A Q H 3< S+ 0 0 61 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.879 103.6 49.6 -60.0 -37.9 40.8 30.4 36.7 416 647 A K H X< S+ 0 0 15 -4,-1.3 3,-1.3 -3,-0.8 -1,-0.2 0.844 103.5 58.6 -73.6 -31.5 39.5 33.0 39.1 417 648 A L H >< S+ 0 0 1 -4,-1.4 3,-3.0 1,-0.3 -1,-0.2 0.821 87.5 77.5 -65.8 -30.6 37.1 34.4 36.5 418 649 A E T 3< S+ 0 0 73 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.717 88.6 59.9 -48.7 -29.2 35.5 30.9 36.3 419 650 A S T < S+ 0 0 81 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.2 0.403 80.0 110.9 -85.1 4.0 33.7 31.7 39.6 420 651 A L < - 0 0 10 -3,-3.0 2,-0.2 1,-0.1 -3,-0.0 -0.548 67.5-127.5 -79.4 142.5 31.9 34.8 38.2 421 652 A E >> - 0 0 44 -2,-0.2 4,-2.0 1,-0.1 3,-1.4 -0.510 30.3-103.6 -81.4 157.6 28.1 34.6 37.9 422 653 A D H 3> S+ 0 0 49 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.817 120.2 61.8 -48.5 -41.1 26.6 35.5 34.5 423 654 A D H 3> S+ 0 0 8 -363,-0.4 4,-0.7 1,-0.2 -1,-0.3 0.874 108.4 42.3 -56.7 -34.2 25.5 38.8 35.9 424 655 A D H <> S+ 0 0 25 -3,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.834 106.8 59.9 -82.5 -37.6 29.1 39.8 36.6 425 656 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.4 0.950 103.6 52.7 -56.1 -42.7 30.4 38.5 33.4 426 657 A L H < S+ 0 0 25 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.799 106.5 54.6 -63.1 -32.9 28.0 40.9 31.6 427 658 A H H < S+ 0 0 36 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.900 121.6 27.1 -67.7 -37.5 29.5 43.7 33.6 428 659 A Y H X S+ 0 0 15 -4,-1.9 4,-2.6 -3,-0.4 3,-0.4 0.419 89.9 106.8-105.2 -1.6 33.0 43.0 32.6 429 660 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.869 77.6 49.7 -49.8 -51.9 32.4 41.4 29.3 430 661 A L H > S+ 0 0 2 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.876 113.5 46.1 -58.7 -42.4 33.6 44.2 27.1 431 662 A Q H > S+ 0 0 3 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.891 111.4 52.2 -70.0 -35.8 36.9 44.6 29.0 432 663 A L H X S+ 0 0 0 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.911 111.2 47.5 -63.0 -42.2 37.5 40.9 28.9 433 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.3 0.926 112.3 49.0 -64.8 -44.7 36.9 40.9 25.1 434 665 A Q H >< S+ 0 0 7 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.874 102.5 64.0 -62.2 -28.6 39.3 43.8 24.8 435 666 A A H >< S+ 0 0 1 -4,-1.8 3,-1.5 1,-0.3 4,-0.4 0.655 81.7 78.2 -71.8 -12.8 41.8 41.9 27.0 436 667 A V G X< S+ 0 0 1 -3,-1.3 3,-1.1 -4,-0.5 -1,-0.3 0.776 81.1 69.7 -64.0 -22.2 42.0 39.3 24.3 437 668 A K G < S+ 0 0 6 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.767 94.7 53.9 -67.7 -22.5 44.3 41.8 22.5 438 669 A F G < S+ 0 0 10 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.520 82.9 103.3 -89.8 -6.4 47.0 41.2 25.2 439 670 A E < - 0 0 16 -3,-1.1 -34,-0.1 -4,-0.4 -37,-0.0 -0.671 64.8-149.3 -73.0 128.9 47.0 37.4 24.7 440 671 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.776 79.2 52.0 -70.6 -27.8 50.2 36.4 22.7 441 672 A Y S S- 0 0 19 2,-0.1 -2,-0.0 1,-0.1 -181,-0.0 -0.806 78.7-131.4-112.9 152.5 48.4 33.4 21.1 442 673 A H S S+ 0 0 14 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.901 100.0 57.0 -62.5 -44.3 45.2 33.2 19.3 443 674 A D S S+ 0 0 32 -413,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.788 78.2 151.0 -90.2 121.6 44.0 30.2 21.3 444 675 A S > - 0 0 11 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.978 60.5-110.3-148.9 164.1 44.1 31.1 25.0 445 676 A A H > S+ 0 0 44 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.893 119.5 53.1 -62.5 -40.2 42.4 30.4 28.3 446 677 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.944 109.1 47.6 -60.9 -46.6 40.8 33.8 28.2 447 678 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.908 112.1 50.0 -61.7 -38.1 39.4 33.3 24.7 448 679 A R H X S+ 0 0 80 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.869 107.2 54.5 -70.7 -35.1 38.0 29.9 25.7 449 680 A F H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.906 109.5 46.6 -64.1 -42.2 36.4 31.3 28.8 450 681 A L H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.963 113.1 50.2 -65.9 -46.7 34.5 33.9 26.7 451 682 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.927 114.0 45.6 -48.6 -53.1 33.5 31.2 24.2 452 683 A K H X S+ 0 0 60 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.916 114.3 45.9 -60.8 -49.3 32.2 29.0 27.1 453 684 A R H X S+ 0 0 8 -4,-2.7 4,-1.1 1,-0.2 8,-0.2 0.866 113.2 49.5 -69.1 -34.5 30.4 31.7 28.9 454 685 A G H < S+ 0 0 0 -4,-2.7 7,-0.7 1,-0.2 -1,-0.2 0.863 111.8 48.2 -67.2 -41.9 28.7 33.1 25.8 455 686 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.719 109.5 54.9 -72.7 -20.0 27.6 29.7 24.7 456 687 A R H < S+ 0 0 87 -4,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.782 115.5 34.2 -82.0 -29.2 26.2 29.0 28.2 457 688 A N X - 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0 0 2 -4,-0.5 4,-2.2 1,-0.1 3,-0.3 0.056 24.3 -79.1 104.3 152.1 22.1 27.6 17.7 495 726 A T H > S+ 0 0 68 -332,-1.9 4,-1.9 1,-0.2 -333,-0.2 0.745 124.2 56.9 -57.1 -35.8 19.9 28.1 14.6 496 727 A A H > S+ 0 0 24 -335,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.955 110.1 41.9 -60.5 -57.5 17.6 30.5 16.4 497 728 A M H > S+ 0 0 13 -4,-0.3 4,-3.0 -3,-0.3 5,-0.3 0.881 113.5 56.1 -54.0 -47.2 20.3 33.0 17.5 498 729 A L H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.880 107.4 46.7 -52.9 -42.5 21.8 32.6 14.1 499 730 A H H X S+ 0 0 101 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.879 113.3 50.6 -68.8 -42.7 18.6 33.7 12.4 500 731 A D H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 53,-0.3 0.919 109.9 47.6 -60.2 -48.3 18.3 36.6 14.9 501 732 A F H X S+ 0 0 2 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.875 109.3 56.5 -60.0 -38.9 21.8 37.9 14.2 502 733 A T H X S+ 0 0 31 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.928 107.9 47.2 -59.6 -44.0 21.1 37.5 10.5 503 734 A Q H X S+ 0 0 25 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.889 113.4 47.5 -63.7 -46.3 18.1 39.8 10.9 504 735 A Q H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.943 112.7 48.4 -62.3 -43.7 20.0 42.4 12.9 505 736 A V H X S+ 0 0 6 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.937 111.7 50.1 -66.9 -41.1 22.9 42.3 10.5 506 737 A Q H X S+ 0 0 69 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.942 111.3 49.8 -59.1 -46.6 20.5 42.7 7.5 507 738 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.934 112.6 44.2 -58.5 -54.1 18.8 45.7 9.2 508 739 A I H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.847 111.4 55.2 -64.6 -33.2 22.0 47.6 10.1 509 740 A E H X S+ 0 0 80 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.897 110.3 45.5 -63.2 -41.2 23.3 46.9 6.6 510 741 A M H X S+ 0 0 33 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.925 112.7 49.9 -66.3 -49.3 20.2 48.5 5.0 511 742 A L H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.803 108.1 55.1 -61.2 -30.4 20.3 51.4 7.3 512 743 A Q H X S+ 0 0 55 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.937 108.2 47.5 -65.4 -47.2 23.9 51.9 6.5 513 744 A K H X S+ 0 0 138 -4,-1.9 4,-2.9 1,-0.2 3,-0.2 0.976 116.0 44.9 -56.0 -54.1 23.1 52.1 2.8 514 745 A V H X S+ 0 0 7 -4,-2.7 4,-2.9 1,-0.3 5,-0.3 0.900 110.2 54.4 -54.5 -50.9 20.3 54.5 3.5 515 746 A T H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -1,-0.3 0.889 112.7 43.8 -51.2 -47.1 22.5 56.5 5.9 516 747 A L H X S+ 0 0 70 -4,-2.5 4,-1.9 -3,-0.2 -2,-0.2 0.953 112.9 49.5 -66.4 -49.4 25.1 56.9 3.2 517 748 A D H X S+ 0 0 73 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.891 115.1 45.2 -57.6 -43.4 22.7 57.7 0.4 518 749 A I H < S+ 0 0 1 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.850 108.4 55.4 -68.2 -38.8 21.0 60.4 2.5 519 750 A K H >< S+ 0 0 57 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.814 109.2 51.2 -61.7 -34.1 24.3 61.8 3.7 520 751 A S H 3< S+ 0 0 93 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.850 97.9 64.0 -66.3 -40.0 25.1 62.2 -0.0 521 752 A L T 3< S+ 0 0 78 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.372 108.2 46.6 -73.8 12.9 21.8 64.0 -0.8 522 753 A S S < S- 0 0 27 -3,-0.6 6,-0.1 1,-0.1 56,-0.0 -0.931 82.3-110.9-146.1 166.1 22.9 66.9 1.4 523 754 A A - 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