==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-09 3L13 . 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) . 37780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 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 . 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 33.5 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 3 2 4 2 3 2 1 1 4 1 0 2 0 1 2 1 0 0 0 0 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 132 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-165.2 33.2 18.7 2.5 2 144 A S - 0 0 64 1,-0.1 4,-0.3 0, 0.0 0, 0.0 -0.703 360.0-116.4-116.2 169.2 29.4 19.0 1.6 3 145 A E S > S+ 0 0 187 -2,-0.2 3,-1.3 1,-0.2 4,-0.5 0.986 118.2 32.7 -69.6 -59.8 27.4 21.2 -0.7 4 146 A E T 3> S+ 0 0 128 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.583 104.6 79.4 -70.9 -10.7 25.3 23.0 1.9 5 147 A S T 34 S+ 0 0 56 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.657 95.7 45.8 -70.3 -17.2 28.3 22.7 4.2 6 148 A Q T <> S+ 0 0 123 -3,-1.3 4,-1.2 -4,-0.3 -1,-0.2 0.621 103.1 62.0 -97.8 -20.3 29.8 25.7 2.4 7 149 A A H > S+ 0 0 32 -4,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.743 102.7 54.1 -68.9 -26.4 26.6 27.7 2.5 8 150 A F H X S+ 0 0 23 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.883 106.3 50.5 -71.9 -41.4 27.0 27.6 6.3 9 151 A Q H > S+ 0 0 27 -4,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.805 108.3 50.7 -70.1 -32.1 30.5 29.0 6.1 10 152 A R H X S+ 0 0 198 -4,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.703 108.3 54.2 -81.2 -19.2 29.4 31.9 3.9 11 153 A Q H X S+ 0 0 74 -4,-0.7 4,-1.3 2,-0.2 3,-0.3 0.891 110.0 47.1 -70.6 -44.3 26.6 32.6 6.4 12 154 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.5 0.923 107.9 55.7 -61.5 -44.6 29.3 32.7 9.1 13 155 A T H X>S+ 0 0 35 -4,-2.3 4,-1.8 1,-0.2 5,-0.8 0.790 106.7 51.2 -60.2 -30.0 31.5 35.0 7.0 14 156 A A H <5S+ 0 0 58 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.776 110.9 45.9 -81.2 -29.4 28.6 37.5 6.7 15 157 A L H <5S+ 0 0 4 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.686 119.1 42.6 -80.5 -24.4 27.9 37.7 10.5 16 158 A I H <5S- 0 0 1 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.842 96.4-139.9 -84.0 -40.4 31.6 38.0 11.3 17 159 A G T <5S+ 0 0 49 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.711 75.5 81.8 74.9 24.7 32.4 40.5 8.5 18 160 A Y S - 0 0 51 -2,-0.3 3,-0.5 1,-0.1 464,-0.1 -0.767 20.9-177.8 -88.1 109.1 36.7 35.4 6.1 20 162 A V T 3 S+ 0 0 14 -2,-0.8 -1,-0.1 1,-0.2 15,-0.1 0.601 79.8 65.0 -80.0 -13.5 38.5 33.0 8.5 21 163 A T T 3 S+ 0 0 62 -12,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.628 80.3 104.7 -84.3 -15.8 39.2 30.5 5.8 22 164 A D < + 0 0 78 -3,-0.5 3,-0.0 1,-0.1 -4,-0.0 -0.362 43.3 179.0 -64.7 143.7 41.5 33.0 4.0 23 165 A V > + 0 0 100 -2,-0.1 3,-0.9 1,-0.0 -1,-0.1 0.155 49.3 109.2-132.4 16.0 45.2 32.4 4.3 24 166 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.0 3,-0.0 -2,-0.0 0.650 83.5 45.8 -66.4 -17.9 46.5 35.3 2.1 25 167 A N T 3 S+ 0 0 9 268,-0.0 265,-0.4 -3,-0.0 2,-0.3 -0.350 93.3 89.5-127.7 51.8 47.8 37.1 5.3 26 168 A V < - 0 0 51 -3,-0.9 263,-0.1 263,-0.1 3,-0.0 -0.988 47.4-165.1-146.1 140.9 49.6 34.5 7.3 27 169 A H S S+ 0 0 58 -2,-0.3 2,-0.3 243,-0.0 -3,-0.0 0.079 83.9 11.7-108.0 16.5 53.2 33.2 7.4 28 170 A D S S- 0 0 48 0, 0.0 3,-0.2 0, 0.0 0, 0.0 -0.912 86.0 -92.5-167.0-160.5 52.3 30.1 9.4 29 171 A D S > S+ 0 0 59 -2,-0.3 4,-1.4 1,-0.1 5,-0.2 0.105 73.4 116.7-121.1 24.3 49.3 28.0 10.6 30 172 A E H > S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.884 77.2 49.2 -62.5 -46.3 48.4 29.4 14.0 31 173 A L H > S+ 0 0 22 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.846 114.4 45.3 -64.7 -35.5 44.9 30.7 13.2 32 174 A E H > S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.729 112.0 52.5 -79.5 -22.8 43.8 27.5 11.5 33 175 A F H X S+ 0 0 58 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.716 108.8 51.8 -80.1 -23.6 45.3 25.5 14.4 34 176 A T H X S+ 0 0 2 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.613 102.6 57.2 -88.6 -19.1 43.2 27.6 16.7 35 177 A R H < S+ 0 0 40 -4,-0.7 4,-0.5 2,-0.2 -2,-0.2 0.926 113.1 41.6 -71.5 -45.1 40.0 26.9 14.8 36 178 A R H >X S+ 0 0 131 -4,-1.2 3,-1.0 1,-0.2 4,-0.5 0.882 111.2 57.7 -65.1 -39.4 40.7 23.3 15.4 37 179 A G H >< S+ 0 0 20 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.913 104.9 49.5 -57.2 -43.9 41.8 23.9 19.0 38 180 A L T 3X S+ 0 0 4 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.490 86.0 85.0 -82.0 -7.6 38.5 25.6 20.0 39 181 A V H <> S+ 0 0 32 -3,-1.0 4,-2.4 -4,-0.5 -1,-0.2 0.920 92.2 50.4 -57.1 -42.0 36.3 22.8 18.6 40 182 A T H S+ 0 0 12 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.779 116.0 50.4 -54.1 -29.4 35.9 23.8 24.4 42 184 A R H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.915 110.7 44.9 -73.2 -48.0 32.8 24.5 22.2 43 185 A M H X S+ 0 0 92 -4,-2.4 4,-1.6 1,-0.2 -3,-0.2 0.778 112.2 54.5 -73.1 -24.5 31.5 21.0 22.1 44 186 A A H X S+ 0 0 57 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.908 114.0 39.6 -68.9 -45.0 32.1 20.6 25.9 45 187 A E H < S+ 0 0 13 -4,-1.2 -2,-0.2 -5,-0.2 3,-0.2 0.934 116.5 49.5 -73.3 -48.0 30.1 23.6 26.7 46 188 A V H >< S+ 0 0 33 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.927 112.7 49.1 -51.9 -48.4 27.4 23.0 24.1 47 189 A A H 3< S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.802 113.1 44.8 -69.8 -29.9 27.0 19.4 25.3 48 190 A S T 3< S+ 0 0 93 -4,-1.3 2,-0.4 -3,-0.2 -1,-0.3 -0.026 87.4 107.9-109.4 32.4 26.7 20.1 29.0 49 191 A R S < S- 0 0 31 -3,-1.1 3,-0.0 406,-0.0 5,-0.0 -0.909 76.0-112.7-110.3 137.4 24.3 23.1 29.0 50 192 A D > - 0 0 91 -2,-0.4 4,-1.6 1,-0.2 5,-0.2 -0.533 22.3-152.9 -66.8 112.5 20.7 22.7 30.1 51 193 A P H > S+ 0 0 76 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.882 91.4 51.1 -55.6 -42.5 18.5 23.1 27.0 52 194 A K H > S+ 0 0 114 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.880 114.0 40.9 -62.0 -47.4 15.5 24.5 28.9 53 195 A L H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.661 111.6 58.2 -79.6 -18.0 17.4 27.2 30.9 54 196 A Y H < S+ 0 0 7 -4,-1.6 404,-0.3 2,-0.2 -1,-0.2 0.771 103.9 52.1 -78.9 -28.5 19.4 28.1 27.8 55 197 A A H < S+ 0 0 7 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.864 119.7 33.2 -74.6 -35.7 16.3 28.9 25.8 56 198 A M H < S- 0 0 5 -4,-1.1 70,-0.7 101,-0.1 -2,-0.2 0.641 86.5-160.7 -97.3 -18.0 14.9 31.3 28.5 57 199 A H < - 0 0 27 -4,-1.3 -3,-0.1 1,-0.1 402,-0.1 0.801 13.6-148.7 41.9 49.7 18.3 32.6 29.7 58 200 A P - 0 0 29 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.186 5.0-136.7 -50.8 131.6 17.0 33.9 33.1 59 201 A W + 0 0 70 67,-0.4 78,-1.7 363,-0.0 79,-0.5 -0.869 42.0 160.0-101.4 119.1 19.0 37.0 34.2 60 202 A V B -A 136 0A 43 -2,-0.6 363,-0.4 76,-0.2 2,-0.3 -0.955 28.7-153.7-153.7 144.0 19.7 36.5 37.9 61 203 A T - 0 0 1 74,-2.0 -2,-0.0 -2,-0.3 0, 0.0 -0.939 15.9-160.4-131.9 151.1 22.0 37.6 40.8 62 204 A S + 0 0 81 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.504 64.8 108.0-101.3 -11.7 23.2 36.1 44.1 63 205 A K S S- 0 0 67 1,-0.1 2,-0.1 72,-0.1 -2,-0.1 -0.170 81.4 -93.3 -59.3 159.1 24.1 39.5 45.5 64 206 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.465 40.2-102.1 -71.2 149.3 22.0 40.9 48.4 65 207 A L - 0 0 6 -2,-0.1 5,-0.1 1,-0.1 70,-0.1 -0.597 52.6-111.5 -62.2 130.2 19.1 43.2 47.5 66 208 A P >> - 0 0 5 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.067 15.4-112.5 -62.2 168.6 20.5 46.7 48.4 67 209 A E H 3> S+ 0 0 143 558,-0.2 4,-1.0 1,-0.2 3,-0.2 0.867 115.0 61.7 -67.4 -38.6 19.3 48.8 51.3 68 210 A Y H 34 S+ 0 0 37 1,-0.2 -1,-0.2 2,-0.2 557,-0.0 0.427 109.4 41.6 -73.6 0.8 17.9 51.4 48.9 69 211 A L H <4 S+ 0 0 7 -3,-0.9 -1,-0.2 2,-0.1 3,-0.2 0.554 103.1 63.9-114.2 -20.5 15.5 48.8 47.5 70 212 A W H >< S+ 0 0 90 -4,-1.1 3,-0.7 -3,-0.2 6,-0.2 0.684 98.4 59.0 -73.1 -19.3 14.5 47.1 50.8 71 213 A K T 3< S+ 0 0 149 -4,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.768 92.3 66.1 -76.3 -28.0 12.9 50.5 51.8 72 214 A K T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.353 101.1 56.8 -73.8 3.0 10.7 50.3 48.7 73 215 A I < + 0 0 12 -3,-0.7 3,-0.3 5,-0.1 -1,-0.2 -0.779 58.1 160.9-129.6 91.3 9.2 47.3 50.6 74 216 A A S S+ 0 0 101 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 0.211 81.0 40.3 -85.4 17.2 8.0 48.6 54.0 75 217 A N S S- 0 0 94 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.380 102.7-113.9-151.6 -3.0 5.8 45.4 54.2 76 218 A N S S+ 0 0 87 -3,-0.3 2,-0.3 -6,-0.2 -3,-0.0 0.871 83.0 111.8 55.9 39.0 7.6 42.3 52.9 77 219 A C - 0 0 27 17,-0.2 2,-0.3 18,-0.1 17,-0.2 -0.935 46.3-170.1-147.6 120.8 5.0 42.1 50.0 78 220 A I E -B 93 0B 4 15,-3.6 15,-1.7 -2,-0.3 2,-0.6 -0.824 20.4-126.1-113.0 148.6 5.8 42.6 46.3 79 221 A F E +B 92 0B 101 -2,-0.3 70,-1.0 13,-0.2 2,-0.3 -0.861 26.3 174.9-109.8 115.9 3.2 43.0 43.5 80 222 A I E -Bc 91 149B 1 11,-1.6 11,-2.1 -2,-0.6 2,-0.4 -0.818 16.5-152.6-110.0 153.1 3.2 40.8 40.4 81 223 A V E -Bc 90 150B 15 68,-1.5 70,-2.0 -2,-0.3 9,-0.2 -0.802 8.0-157.8-134.5 91.0 0.4 41.0 37.7 82 224 A I E - c 0 151B 6 7,-0.6 7,-0.4 -2,-0.4 2,-0.3 -0.433 16.6-157.1 -75.2 144.0 -0.1 37.9 35.7 83 225 A H E + c 0 152B 30 68,-1.2 70,-1.2 5,-0.2 2,-0.2 -0.793 24.2 179.7-125.2 159.6 -1.9 38.3 32.3 84 226 A R - 0 0 127 3,-1.4 2,-0.1 -2,-0.3 70,-0.1 -0.744 64.8 -69.4-161.9 110.1 -3.9 36.4 29.7 85 227 A S S S- 0 0 121 -2,-0.2 -1,-0.2 1,-0.2 0, 0.0 -0.202 120.9 -6.7 36.6 -99.8 -5.1 38.2 26.5 86 228 A T S S+ 0 0 122 -2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.962 123.5 58.4 -79.1 -80.5 -7.7 40.5 28.2 87 229 A T + 0 0 113 -4,-0.1 -3,-1.4 1,-0.0 2,-0.2 -0.005 55.6 175.6 -62.7 158.5 -8.1 39.8 31.9 88 230 A S - 0 0 51 -5,-0.2 -5,-0.2 64,-0.0 2,-0.1 -0.793 13.4-153.4-168.5 113.0 -5.2 39.9 34.4 89 231 A Q - 0 0 109 -7,-0.4 -7,-0.6 -2,-0.2 2,-0.5 -0.448 18.3-122.3 -90.5 162.4 -5.3 39.4 38.2 90 232 A T E -B 81 0B 71 -9,-0.2 2,-0.4 -2,-0.1 -9,-0.2 -0.937 24.6-156.3-109.2 127.5 -2.8 40.8 40.8 91 233 A I E -B 80 0B 5 -11,-2.1 -11,-1.6 -2,-0.5 2,-0.4 -0.884 12.5-132.5-112.4 129.5 -1.0 38.3 43.1 92 234 A K E +B 79 0B 161 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.657 32.7 178.9 -80.9 130.5 0.5 39.1 46.5 93 235 A V E -B 78 0B 2 -15,-1.7 -15,-3.6 -2,-0.4 9,-0.0 -0.991 27.9-137.0-142.7 124.4 4.1 37.7 46.8 94 236 A S > - 0 0 39 -2,-0.4 3,-2.2 -17,-0.2 39,-0.2 -0.603 36.1-113.8 -75.8 144.0 6.7 37.8 49.6 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.6 0, 0.0 38,-0.4 0.711 112.5 59.5 -55.7 -25.8 10.1 38.6 48.1 96 238 A D T 3 S+ 0 0 99 36,-0.2 39,-0.0 37,-0.1 -2,-0.0 0.563 81.4 111.5 -84.5 -9.1 11.6 35.2 49.0 97 239 A D < - 0 0 45 -3,-2.2 36,-1.3 35,-0.1 37,-0.3 0.056 59.7-135.9 -50.8 173.8 9.0 33.3 46.9 98 240 A T > - 0 0 33 34,-0.2 4,-2.1 35,-0.1 5,-0.2 -0.948 23.3-103.5-140.7 149.6 10.1 31.5 43.7 99 241 A P T 4 S+ 0 0 6 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.859 124.5 44.7 -40.5 -49.6 8.8 31.2 40.0 100 242 A G T >> S+ 0 0 31 1,-0.2 3,-1.2 2,-0.2 4,-0.9 0.912 113.3 51.1 -59.9 -45.9 7.5 27.7 40.8 101 243 A A H 3> S+ 0 0 37 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.737 104.2 56.6 -66.3 -26.3 6.0 28.8 44.1 102 244 A I H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.314 104.6 52.4 -95.1 6.3 4.1 31.8 42.6 103 245 A L H X> S+ 0 0 20 -3,-1.2 4,-1.8 -5,-0.2 3,-0.9 0.508 105.1 56.7 -96.4 -23.1 2.4 29.5 40.2 104 246 A Q H 3< S+ 0 0 129 -4,-0.9 4,-0.4 1,-0.2 -2,-0.2 0.721 107.4 48.5 -73.7 -24.5 1.4 27.5 43.3 105 247 A S T 3< S+ 0 0 37 -4,-0.7 -1,-0.2 3,-0.1 -13,-0.1 0.039 114.2 48.4-101.8 23.1 -0.2 30.7 44.6 106 248 A F T <4 S+ 0 0 31 -3,-0.9 -2,-0.2 -15,-0.1 -3,-0.1 0.639 115.5 33.5-122.3 -60.7 -2.1 31.3 41.3 107 249 A F S X S+ 0 0 57 -4,-1.8 4,-1.3 1,-0.2 3,-0.5 0.902 125.8 44.5 -66.5 -43.6 -3.8 28.0 40.3 108 250 A T T 4 S+ 0 0 107 -5,-0.4 2,-0.7 -4,-0.4 -1,-0.2 0.758 105.7 66.1 -69.6 -26.7 -4.4 27.1 43.9 109 251 A K T 4 S+ 0 0 108 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.332 105.6 41.5 -90.0 50.1 -5.5 30.7 44.4 110 252 A M T 4 0 0 109 -2,-0.7 -2,-0.2 -3,-0.5 -1,-0.1 0.262 360.0 360.0-153.0 -60.1 -8.6 30.2 42.2 111 253 A A < 0 0 138 -4,-1.3 -2,-0.1 0, 0.0 -3,-0.1 0.178 360.0 360.0 45.7 360.0 -10.3 26.9 42.8 112 ! 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 0 167 0, 0.0 3,-0.4 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 -32.5 -1.0 22.2 34.2 114 268 A Q + 0 0 124 1,-0.2 -10,-0.0 -10,-0.0 -11,-0.0 0.034 360.0 95.0 -91.3 27.4 2.4 23.3 35.6 115 269 A D + 0 0 113 2,-0.1 -1,-0.2 41,-0.0 2,-0.1 -0.007 63.2 98.6-106.8 24.5 3.9 23.4 32.1 116 270 A F - 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0 0 94 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.845 360.0-136.6 69.9 113.6 64.3 30.9 57.4 315 546 A E - 0 0 138 1,-0.1 -1,-0.1 0, 0.0 3,-0.1 -0.859 21.1-108.8-108.7 134.6 62.1 33.7 58.8 316 547 A M - 0 0 15 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 -0.131 29.9-107.2 -60.1 145.9 62.5 37.4 57.8 317 548 A P >> - 0 0 72 0, 0.0 3,-1.6 0, 0.0 4,-1.6 -0.596 35.4-120.3 -70.1 130.7 63.9 40.1 60.1 318 549 A N H 3> S+ 0 0 91 -2,-0.3 4,-1.3 1,-0.3 5,-0.1 0.726 108.6 58.4 -51.1 -27.3 60.8 42.2 61.0 319 550 A Q H 3> S+ 0 0 141 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.825 107.3 44.6 -76.4 -33.2 62.3 45.4 59.5 320 551 A L H <> S+ 0 0 58 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.850 107.5 60.2 -71.6 -39.3 62.7 44.0 56.0 321 552 A R H X S+ 0 0 50 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.856 105.0 48.5 -55.2 -39.1 59.2 42.5 56.2 322 553 A K H X S+ 0 0 129 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.826 108.5 53.9 -72.4 -31.7 57.8 46.0 56.7 323 554 A Q H X S+ 0 0 62 -4,-0.9 4,-0.9 2,-0.2 -2,-0.2 0.844 113.3 44.1 -63.6 -34.4 59.9 47.1 53.7 324 555 A L H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.835 111.0 52.1 -79.0 -37.5 58.2 44.3 51.7 325 556 A E H X S+ 0 0 87 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.853 106.7 53.9 -69.3 -35.9 54.7 45.0 53.0 326 557 A A H X S+ 0 0 60 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.846 107.9 50.6 -66.3 -37.2 55.0 48.7 52.1 327 558 A I H < S+ 0 0 11 -4,-0.9 3,-0.4 1,-0.2 -2,-0.2 0.888 110.9 49.4 -63.2 -41.6 55.9 47.6 48.5 328 559 A I H < S+ 0 0 16 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.785 105.1 58.0 -71.0 -28.5 52.8 45.3 48.4 329 560 A A H < S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.788 88.0 99.6 -71.8 -28.7 50.5 48.0 49.7 330 561 A T S < S- 0 0 42 -4,-0.9 -3,-0.0 -3,-0.4 484,-0.0 0.026 80.1 -89.9 -64.1 168.2 51.3 50.4 46.8 331 562 A D > - 0 0 13 1,-0.1 3,-0.5 4,-0.0 -1,-0.1 -0.140 36.3-103.0 -76.0 167.7 49.2 50.9 43.6 332 563 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.651 119.6 46.9 -65.8 -17.9 49.4 49.0 40.3 333 564 A L T 3 S+ 0 0 40 2,-0.1 473,-0.1 472,-0.1 -3,-0.0 0.599 77.2 111.8 -99.6 -16.1 51.2 51.9 38.6 334 565 A N S < S- 0 0 45 -3,-0.5 2,-0.1 1,-0.1 -4,-0.0 -0.457 74.4-124.5 -60.9 117.7 53.8 52.6 41.3 335 566 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.399 17.0-123.7 -73.9 145.3 57.0 51.5 39.5 336 567 A L - 0 0 32 -2,-0.1 -9,-0.0 1,-0.1 -2,-0.0 -0.789 19.8-138.5 -93.6 124.8 59.2 48.9 41.2 337 568 A T > - 0 0 84 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.151 28.3-107.2 -64.5 166.1 62.8 49.7 41.7 338 569 A A H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.883 125.1 51.5 -60.6 -38.7 65.6 47.2 41.1 339 570 A E H > S+ 0 0 95 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.821 108.5 51.3 -69.4 -31.8 65.9 46.9 44.9 340 571 A D H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.937 111.4 46.9 -66.4 -49.3 62.2 46.4 45.2 341 572 A K H X S+ 0 0 74 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.857 110.1 51.2 -61.2 -41.0 62.2 43.6 42.6 342 573 A E H X S+ 0 0 135 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.779 111.7 50.2 -69.5 -25.8 65.2 41.8 44.2 343 574 A L H X S+ 0 0 20 -4,-0.9 4,-1.9 -3,-0.3 -2,-0.2 0.933 108.9 49.0 -75.6 -52.6 63.4 41.9 47.5 344 575 A L H < S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.2 -2,-0.2 0.858 116.0 45.7 -48.7 -43.9 60.1 40.5 46.2 345 576 A W H >< S+ 0 0 38 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.840 107.9 52.9 -78.2 -36.7 62.1 37.7 44.6 346 577 A H H 3< S+ 0 0 132 -4,-1.6 3,-0.2 1,-0.3 -1,-0.2 0.851 118.3 39.8 -68.3 -30.4 64.4 36.8 47.5 347 578 A F T 3X S+ 0 0 40 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 -0.389 75.1 142.0-113.2 49.1 61.3 36.4 49.6 348 579 A R H <> S+ 0 0 43 -3,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.866 70.1 52.8 -44.4 -48.1 59.1 34.7 47.0 349 580 A Y H 4 S+ 0 0 88 1,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.785 110.5 44.5 -77.3 -29.0 57.5 32.4 49.5 350 581 A E H >4 S+ 0 0 28 -3,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.775 111.3 54.8 -79.6 -31.2 56.4 35.2 51.9 351 582 A S H >< S+ 0 0 0 -4,-1.9 3,-0.9 -7,-0.3 6,-0.3 0.731 100.5 62.5 -69.1 -22.6 55.2 37.2 48.9 352 583 A L T 3< S+ 0 0 14 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.683 88.3 68.0 -80.2 -18.8 53.1 34.2 47.9 353 584 A K T < S+ 0 0 114 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.608 95.8 65.1 -71.4 -13.5 51.1 34.4 51.1 354 585 A H X - 0 0 62 -3,-0.9 3,-1.3 -4,-0.2 4,-0.4 -0.937 65.8-164.6-114.6 107.1 49.6 37.7 49.8 355 586 A P G > S+ 0 0 27 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.801 91.6 61.6 -55.3 -31.9 47.4 37.4 46.7 356 587 A K G 3 S+ 0 0 126 1,-0.2 4,-0.4 2,-0.1 -4,-0.1 0.682 96.6 61.1 -68.9 -19.9 47.7 41.2 46.2 357 588 A A G <> S+ 0 0 0 -3,-1.3 4,-2.2 -6,-0.3 3,-0.4 0.688 80.2 90.5 -75.0 -19.7 51.5 40.8 45.8 358 589 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.4 5,-0.2 0.857 83.8 46.4 -52.4 -53.6 51.2 38.5 42.8 359 590 A P H > S+ 0 0 7 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.886 118.4 43.4 -56.2 -41.4 51.3 41.2 39.9 360 591 A K H > S+ 0 0 15 -3,-0.4 4,-1.0 -4,-0.4 -2,-0.2 0.784 113.4 53.6 -73.4 -28.6 54.3 42.9 41.5 361 592 A L H < S+ 0 0 1 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.890 107.5 47.4 -75.8 -41.2 55.9 39.5 42.2 362 593 A F H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.562 107.3 58.4 -82.2 -6.5 55.7 38.2 38.7 363 594 A S H < S+ 0 0 27 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.788 98.1 60.8 -80.7 -33.1 57.1 41.4 37.4 364 595 A S S < S+ 0 0 10 -4,-1.0 2,-0.2 -3,-0.1 -2,-0.2 0.529 84.9 104.6 -68.7 -9.2 60.2 40.8 39.7 365 596 A V S S- 0 0 3 -4,-0.2 2,-1.0 1,-0.1 3,-0.1 -0.569 72.4-136.3 -74.0 137.5 60.9 37.7 37.7 366 597 A K > - 0 0 119 -2,-0.2 3,-1.1 1,-0.1 6,-0.2 -0.858 22.9-175.9 -88.7 97.5 63.7 37.7 35.2 367 598 A W T 3 S+ 0 0 13 -2,-1.0 -1,-0.1 1,-0.3 6,-0.1 0.657 72.3 73.4 -74.3 -16.5 61.9 35.9 32.3 368 599 A G T 3 S+ 0 0 19 -132,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.240 86.0 77.2 -81.6 11.6 65.1 35.9 30.1 369 600 A Q <> - 0 0 86 -3,-1.1 4,-1.4 1,-0.1 5,-0.2 -0.993 67.7-152.7-122.3 132.4 66.7 33.2 32.3 370 601 A Q H > S+ 0 0 61 -2,-0.4 4,-2.1 1,-0.2 3,-0.2 0.942 94.2 51.2 -67.8 -49.7 65.7 29.6 32.0 371 602 A E H > S+ 0 0 146 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.836 110.5 48.8 -59.0 -36.4 66.5 28.5 35.7 372 603 A I H > S+ 0 0 21 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.822 108.6 51.7 -80.8 -29.3 64.5 31.4 37.2 373 604 A V H X S+ 0 0 14 -4,-1.4 4,-1.8 2,-0.2 3,-0.3 0.932 109.1 52.2 -64.0 -44.3 61.4 30.8 35.1 374 605 A A H X S+ 0 0 44 -4,-2.1 4,-1.0 1,-0.3 -2,-0.2 0.771 108.6 49.9 -64.4 -26.7 61.5 27.2 36.2 375 606 A K H X S+ 0 0 63 -4,-1.0 4,-1.4 2,-0.2 -1,-0.3 0.746 107.2 55.6 -78.4 -29.7 61.7 28.4 39.8 376 607 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.813 105.7 50.6 -68.3 -34.5 58.7 30.6 39.1 377 608 A Y H X S+ 0 0 81 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.808 107.8 53.1 -76.1 -29.0 56.8 27.5 38.0 378 609 A Q H X S+ 0 0 118 -4,-1.0 4,-0.9 -5,-0.2 -2,-0.2 0.868 109.2 51.3 -64.0 -38.0 57.8 25.8 41.2 379 610 A L H >< S+ 0 0 0 -4,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.958 109.5 46.8 -65.3 -52.4 56.4 28.9 43.0 380 611 A L H 3< S+ 0 0 8 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.729 100.4 71.0 -59.4 -25.8 53.0 28.7 41.1 381 612 A A H 3< S+ 0 0 81 -4,-1.1 2,-1.1 1,-0.3 -1,-0.2 0.853 93.7 53.9 -65.7 -36.8 52.8 25.0 41.9 382 613 A R << + 0 0 148 -3,-0.9 3,-0.3 -4,-0.9 -1,-0.3 -0.646 69.6 150.1 -96.7 76.8 52.2 25.6 45.6 383 614 A R > + 0 0 64 -2,-1.1 4,-2.1 -3,-0.3 5,-0.2 -0.231 15.0 131.5-105.5 41.4 49.2 27.9 45.1 384 615 A E H > S+ 0 0 137 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.836 74.8 41.8 -69.9 -33.4 47.3 27.1 48.2 385 616 A V H > S+ 0 0 63 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.885 114.8 49.6 -83.0 -40.4 46.6 30.7 49.3 386 617 A W H 4 S+ 0 0 1 2,-0.2 3,-0.2 1,-0.2 -2,-0.2 0.896 112.2 48.4 -60.6 -44.5 45.8 32.0 45.8 387 618 A D H < S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 116.3 43.1 -64.3 -41.7 43.3 29.2 45.2 388 619 A Q H < S+ 0 0 156 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.615 94.6 103.1 -81.4 -14.5 41.6 29.7 48.6 389 620 A S S < S- 0 0 28 -4,-1.2 2,-0.1 -3,-0.2 3,-0.1 -0.231 81.3 -97.8 -71.2 158.5 41.5 33.5 48.4 390 621 A A - 0 0 92 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.467 50.4 -93.1 -72.0 149.3 38.4 35.5 47.6 391 622 A L - 0 0 52 -2,-0.1 2,-0.5 25,-0.1 -1,-0.1 -0.445 37.7-168.5 -69.1 130.1 38.1 36.7 44.0 392 623 A D > - 0 0 69 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 -0.977 6.4-164.2-120.8 114.8 39.5 40.2 43.3 393 624 A V H > S+ 0 0 23 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.938 89.8 47.9 -70.5 -43.3 38.5 41.4 39.9 394 625 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 113.3 48.2 -61.4 -41.3 41.1 44.2 39.8 395 626 A L H > S+ 0 0 8 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.902 113.1 48.0 -64.6 -43.6 43.8 41.8 40.9 396 627 A T H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.917 111.8 50.0 -62.4 -44.9 42.8 39.3 38.3 397 628 A M H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.848 102.2 61.9 -62.1 -38.1 42.7 41.9 35.6 398 629 A Q H >< S+ 0 0 16 -4,-2.0 3,-1.0 1,-0.3 5,-0.2 0.871 102.7 51.6 -55.1 -39.9 46.1 43.1 36.5 399 630 A L H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.595 106.8 53.3 -78.4 -13.9 47.5 39.7 35.6 400 631 A L T << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.5 38,-0.2 0.277 90.8 100.8 -97.6 8.6 45.8 39.8 32.2 401 632 A D S X S- 0 0 13 -3,-1.0 3,-1.6 -4,-0.3 -3,-0.0 -0.196 94.4 -83.5 -86.8-177.5 47.3 43.1 31.1 402 633 A C T 3 S+ 0 0 4 1,-0.3 -1,-0.1 3,-0.0 -3,-0.1 0.631 118.0 72.3 -60.1 -20.2 50.2 43.9 28.8 403 634 A N T 3 S+ 0 0 78 -5,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.493 93.5 60.0 -74.7 -4.8 52.8 43.4 31.6 404 635 A F < + 0 0 10 -3,-1.6 -1,-0.1 1,-0.1 -201,-0.1 -0.969 43.8 155.2-132.9 116.9 52.3 39.6 31.7 405 636 A S + 0 0 16 -2,-0.4 2,-0.5 34,-0.1 -1,-0.1 0.328 41.5 113.0-118.7 3.2 52.9 37.3 28.7 406 637 A D > - 0 0 4 1,-0.1 4,-2.5 -204,-0.1 5,-0.2 -0.713 62.5-143.5 -81.6 126.9 53.6 34.1 30.6 407 638 A E H > S+ 0 0 84 -2,-0.5 4,-1.2 -169,-0.3 38,-0.1 0.774 97.5 47.3 -65.7 -30.6 50.8 31.7 29.9 408 639 A N H > S+ 0 0 57 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.819 109.5 52.3 -81.8 -33.0 50.7 30.1 33.4 409 640 A V H >> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.973 115.3 43.6 -59.5 -48.9 50.8 33.5 35.1 410 641 A R H 3X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.794 109.0 58.3 -66.9 -27.6 47.9 34.5 32.9 411 642 A A H 3X S+ 0 0 36 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.805 99.6 56.2 -75.4 -27.8 46.2 31.1 33.5 412 643 A I H < S+ 0 0 66 -4,-1.6 3,-0.9 1,-0.2 4,-0.4 0.942 101.6 51.2 -54.7 -50.4 41.1 30.5 37.0 416 647 A K H >< S+ 0 0 17 -4,-1.1 3,-0.9 -3,-0.4 -1,-0.2 0.810 105.6 57.5 -58.7 -31.0 39.9 33.2 39.4 417 648 A L H >< S+ 0 0 1 -4,-1.2 3,-2.3 1,-0.2 -1,-0.2 0.794 88.2 73.1 -70.0 -29.6 37.5 34.4 36.8 418 649 A E T << S+ 0 0 79 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.665 89.4 62.6 -62.8 -14.2 35.7 31.1 36.4 419 650 A S T < S+ 0 0 87 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.3 0.417 80.3 107.2 -90.5 -1.1 34.0 31.7 39.8 420 651 A L < - 0 0 5 -3,-2.3 2,-0.1 4,-0.0 -3,-0.0 -0.613 66.8-136.0 -72.9 133.7 32.2 34.8 38.4 421 652 A E >> - 0 0 52 -2,-0.3 4,-2.0 1,-0.1 3,-0.7 -0.375 31.6 -98.2 -82.8 172.1 28.5 34.4 37.9 422 653 A D H 3> S+ 0 0 45 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.776 121.8 64.5 -65.5 -31.7 26.9 35.8 34.7 423 654 A D H 34 S+ 0 0 5 -363,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.915 111.6 36.6 -50.1 -49.5 25.8 39.0 36.4 424 655 A D H <> S+ 0 0 25 -3,-0.7 4,-1.5 2,-0.2 3,-0.3 0.801 109.9 60.8 -79.0 -32.7 29.5 39.8 36.9 425 656 A V H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-0.7 0.969 104.7 50.6 -58.1 -50.3 30.7 38.5 33.6 426 657 A L H 3< S+ 0 0 23 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.725 105.0 58.4 -58.0 -27.7 28.5 41.0 31.8 427 658 A H H 34 S+ 0 0 32 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.881 123.0 22.3 -68.2 -38.6 29.9 43.8 33.9 428 659 A Y H S+ 0 0 2 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.877 113.8 45.5 -60.0 -41.3 33.8 44.2 27.2 431 662 A Q H > S+ 0 0 3 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.798 111.1 52.0 -75.8 -30.2 37.1 44.7 29.0 432 663 A L H < S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.813 109.7 51.2 -69.8 -33.2 37.9 41.0 29.1 433 664 A V H >< S+ 0 0 0 -4,-2.0 3,-1.0 -5,-0.2 4,-0.3 0.912 110.2 47.9 -69.9 -41.5 37.3 40.9 25.3 434 665 A Q H >< S+ 0 0 3 -4,-1.9 3,-1.9 1,-0.2 4,-0.2 0.861 102.8 64.9 -66.8 -29.6 39.7 43.8 24.9 435 666 A A G >< S+ 0 0 0 -4,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.666 82.1 76.1 -68.7 -15.8 42.2 42.0 27.2 436 667 A V G X S+ 0 0 1 -3,-1.0 3,-1.2 -4,-0.5 -1,-0.3 0.750 82.1 70.7 -61.6 -22.3 42.5 39.3 24.5 437 668 A K G < S+ 0 0 2 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.780 94.3 54.2 -63.4 -27.1 44.6 41.9 22.7 438 669 A F G < S+ 0 0 9 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.459 82.9 107.2 -86.7 -5.0 47.3 41.3 25.3 439 670 A E < - 0 0 14 -3,-1.2 -34,-0.1 -4,-0.2 -200,-0.0 -0.618 63.1-147.7 -74.2 128.6 47.5 37.5 24.8 440 671 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.793 80.8 46.1 -60.3 -31.0 50.7 36.4 23.0 441 672 A Y S S- 0 0 17 1,-0.1 -2,-0.0 2,-0.1 -181,-0.0 -0.876 77.9-128.2-122.7 149.3 48.8 33.4 21.3 442 673 A H S S+ 0 0 18 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.891 102.6 58.1 -61.4 -42.5 45.5 33.1 19.4 443 674 A D S S+ 0 0 36 4,-0.1 2,-0.3 -413,-0.0 -1,-0.1 -0.831 76.2 148.1 -89.4 120.3 44.5 30.2 21.6 444 675 A S > - 0 0 11 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.975 60.8-107.7-149.3 159.6 44.5 31.2 25.2 445 676 A A H > S+ 0 0 46 -2,-0.3 4,-1.0 1,-0.2 5,-0.1 0.834 120.1 50.3 -56.4 -36.0 42.7 30.4 28.5 446 677 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.907 106.9 52.7 -71.3 -44.6 41.0 33.8 28.3 447 678 A A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.905 114.1 44.1 -54.7 -42.0 39.8 33.3 24.7 448 679 A R H X S+ 0 0 77 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.679 107.5 58.8 -77.9 -21.4 38.3 29.9 25.8 449 680 A F H X S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.2 -2,-0.2 0.913 109.9 43.4 -70.9 -42.4 36.8 31.4 29.0 450 681 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.912 111.4 53.9 -68.2 -44.6 34.8 33.8 26.9 451 682 A L H X S+ 0 0 1 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.925 112.7 45.9 -49.7 -48.4 33.9 31.2 24.4 452 683 A K H X S+ 0 0 51 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.882 111.6 48.3 -64.7 -45.7 32.5 29.1 27.2 453 684 A R H X S+ 0 0 5 -4,-2.1 4,-0.9 1,-0.2 8,-0.3 0.804 112.4 48.1 -75.4 -29.9 30.6 31.8 29.1 454 685 A G H < S+ 0 0 0 -4,-2.1 7,-0.3 6,-0.2 -1,-0.2 0.736 111.6 50.1 -80.1 -27.2 28.8 33.1 25.9 455 686 A L H < S+ 0 0 0 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.784 111.2 50.5 -75.8 -27.5 27.9 29.5 24.9 456 687 A R H < S+ 0 0 93 -4,-1.4 2,-0.4 1,-0.2 -2,-0.2 0.744 119.6 32.7 -82.3 -24.4 26.5 28.9 28.4 457 688 A N X - 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0 0 14 -3,-0.3 3,-1.2 1,-0.1 -3,-0.2 0.832 30.6-149.9 39.6 60.6 44.1 60.7 45.7 814 1057 A V T 3 < + 0 0 36 -5,-1.5 -1,-0.1 1,-0.2 3,-0.1 -0.106 69.0 21.3 -61.6 151.2 46.2 57.6 46.2 815 1058 A G T 3 S+ 0 0 79 1,-0.2 2,-0.2 0, 0.0 -1,-0.2 0.453 97.8 119.6 73.9 2.0 48.1 57.0 49.4 816 1059 A K < - 0 0 112 -3,-1.2 -1,-0.2 1,-0.1 2,-0.1 -0.668 63.9-115.6-104.0 154.1 45.9 59.4 51.4 817 1060 A N > - 0 0 89 -2,-0.2 4,-1.4 -3,-0.1 -1,-0.1 -0.396 37.8-101.3 -78.1 164.4 43.7 58.9 54.4 818 1061 A E H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.819 116.9 55.4 -60.3 -38.2 39.9 59.4 54.2 819 1062 A E H > S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.965 107.0 49.0 -61.8 -54.5 39.8 62.9 55.7 820 1063 A D H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.829 110.8 53.4 -49.6 -38.7 42.3 64.4 53.3 821 1064 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.928 103.7 52.1 -68.4 -49.9 40.3 62.9 50.4 822 1065 A K H X S+ 0 0 105 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.880 111.9 50.4 -50.6 -40.3 36.9 64.3 51.4 823 1066 A K H X S+ 0 0 125 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.878 104.8 56.7 -67.3 -41.5 38.7 67.7 51.5 824 1067 A Y H X S+ 0 0 77 -4,-1.8 4,-1.4 1,-0.2 3,-0.4 0.962 111.8 41.1 -53.2 -54.4 40.2 67.2 48.0 825 1068 A F H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.752 110.8 56.3 -70.3 -27.7 36.8 66.7 46.4 826 1069 A L H X S+ 0 0 43 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.774 104.8 53.2 -77.2 -27.7 35.1 69.5 48.4 827 1070 A D H X S+ 0 0 78 -4,-1.8 4,-0.7 -3,-0.4 -2,-0.2 0.899 105.4 56.2 -63.6 -42.3 37.8 71.9 47.1 828 1071 A Q H X S+ 0 0 27 -4,-1.4 4,-1.2 1,-0.2 3,-0.4 0.834 105.1 50.2 -61.1 -37.4 36.8 70.7 43.6 829 1072 A I H X S+ 0 0 2 -4,-1.3 4,-1.0 1,-0.2 3,-0.4 0.919 108.2 53.3 -64.8 -44.9 33.2 71.7 44.2 830 1073 A E H < S+ 0 0 76 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.571 102.6 58.7 -70.2 -10.2 34.3 75.1 45.4 831 1074 A V H X S+ 0 0 46 -4,-0.7 4,-1.6 -3,-0.4 -1,-0.2 0.821 106.2 47.6 -82.0 -35.9 36.3 75.5 42.1 832 1075 A C H X S+ 0 0 4 -4,-1.2 4,-0.9 -3,-0.4 -2,-0.2 0.673 115.2 46.9 -72.2 -19.4 33.0 75.0 40.1 833 1076 A R H < S+ 0 0 32 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.555 110.1 52.2 -96.7 -14.6 31.4 77.6 42.5 834 1077 A D H 4 S+ 0 0 121 -4,-0.4 -2,-0.2 -5,-0.2 -3,-0.1 0.818 120.0 32.5 -85.1 -35.1 34.3 80.1 42.2 835 1078 A K H >< S+ 0 0 70 -4,-1.6 3,-1.9 1,-0.2 2,-0.5 0.791 78.1 165.1 -94.7 -33.7 34.3 80.1 38.3 836 1079 A G T 3< S+ 0 0 21 -4,-0.9 4,-0.3 1,-0.3 3,-0.2 -0.343 74.5 4.2 58.1-103.6 30.5 79.6 37.6 837 1080 A W T 3> S+ 0 0 51 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.463 102.2 99.9 -94.6 -5.4 30.0 80.5 33.9 838 1081 A T H <> S+ 0 0 56 -3,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.876 90.2 34.5 -52.8 -48.9 33.6 81.2 32.9 839 1082 A V H > S+ 0 0 35 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.859 117.4 52.8 -81.0 -35.7 34.4 77.9 31.2 840 1083 A Q H >4 S+ 0 0 12 -4,-0.3 3,-0.8 1,-0.2 -2,-0.2 0.954 111.9 46.7 -58.2 -52.8 30.9 77.3 29.8 841 1084 A F H 3X S+ 0 0 102 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.850 100.4 70.0 -54.9 -37.1 31.0 80.8 28.2 842 1085 A N H >X S+ 0 0 55 -4,-1.2 4,-1.1 -5,-0.3 3,-0.7 0.810 81.1 78.4 -60.9 -34.6 34.5 80.0 26.9 843 1086 A W H << S+ 0 0 99 -4,-1.1 0, 0.0 -3,-0.8 0, 0.0 -0.729 97.1 37.6 -68.9 120.6 33.1 77.5 24.4 844 1087 A F H 3> S+ 0 0 67 -2,-0.6 4,-1.3 0, 0.0 -1,-0.2 -0.414 103.7 72.1 130.7 -47.7 31.8 79.9 21.7 845 1088 A L H << S+ 0 0 98 -3,-0.7 -2,-0.2 -4,-0.7 -3,-0.1 0.897 96.0 48.5 -65.5 -46.6 34.8 82.3 22.1 846 1089 A H T < S+ 0 0 128 -4,-1.1 -1,-0.2 1,-0.2 -3,-0.1 0.965 104.8 61.9 -55.7 -55.4 37.3 80.1 20.4 847 1090 A L T 4 0 0 107 1,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.851 360.0 360.0 -40.5 -68.2 35.1 79.3 17.4 848 1091 A V < 0 0 173 -4,-1.3 -1,-0.2 0, 0.0 -3,-0.2 0.697 360.0 360.0-111.4 360.0 34.6 82.8 16.0