==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 06-JUN-12 4FHJ . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.L.SHAFFER,J.TANG,P.YAKOWEC . 819 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 69.2 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 . 114 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 49 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 35.4 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 3 3 0 4 2 3 1 3 1 1 1 1 1 2 1 0 0 0 0 0 1 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 2 3 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 145 A E > 0 0 99 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.8 28.6 -24.5 -2.2 2 146 A E H > + 0 0 163 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.827 360.0 48.3 -75.2 -35.6 26.3 -24.2 0.9 3 147 A S H > S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.830 110.9 50.9 -72.8 -34.9 29.3 -23.9 3.2 4 148 A Q H > S+ 0 0 50 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.860 110.6 48.9 -69.2 -37.7 30.8 -21.2 0.9 5 149 A A H X S+ 0 0 42 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.830 106.9 55.4 -70.6 -34.7 27.5 -19.3 0.9 6 150 A F H X S+ 0 0 50 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.803 104.8 54.5 -67.1 -30.0 27.3 -19.5 4.7 7 151 A Q H X S+ 0 0 27 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.847 103.3 55.6 -70.5 -35.0 30.8 -17.9 4.9 8 152 A R H X S+ 0 0 162 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.815 106.2 50.7 -67.6 -33.1 29.6 -15.0 2.8 9 153 A Q H X S+ 0 0 74 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.923 110.4 49.6 -67.9 -45.7 26.8 -14.3 5.3 10 154 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.932 109.4 52.3 -55.4 -47.8 29.4 -14.4 8.1 11 155 A T H X>S+ 0 0 37 -4,-2.7 4,-2.9 1,-0.2 5,-0.6 0.903 112.1 45.0 -55.5 -45.6 31.6 -11.9 6.0 12 156 A A H <5S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.9 47.4 -67.7 -36.5 28.6 -9.5 5.6 13 157 A L H <5S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.841 118.3 41.1 -69.8 -36.0 27.8 -9.9 9.3 14 158 A I H <5S- 0 0 1 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.868 96.6-135.2 -81.3 -40.0 31.4 -9.4 10.4 15 159 A G T <5S+ 0 0 50 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.533 81.0 70.3 88.5 10.0 32.3 -6.6 8.0 16 160 A Y S - 0 0 63 -2,-0.3 3,-1.2 1,-0.2 -9,-0.1 -0.778 21.6-170.6 -90.0 106.4 36.5 -11.5 5.3 18 162 A V T 3 S+ 0 0 8 -2,-0.9 -1,-0.2 1,-0.2 15,-0.1 0.681 82.3 62.8 -70.3 -20.2 38.4 -13.8 7.8 19 163 A T T 3 S+ 0 0 61 -12,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.547 76.9 114.7 -82.3 -9.2 39.4 -16.2 5.0 20 164 A D < + 0 0 59 -3,-1.2 3,-0.1 1,-0.1 -4,-0.0 -0.434 39.5 177.9 -60.0 127.6 41.5 -13.4 3.4 21 165 A V > + 0 0 103 -2,-0.2 3,-0.7 1,-0.1 -1,-0.1 0.100 51.2 102.9-121.5 21.4 45.2 -14.3 3.5 22 166 A S T 3 S+ 0 0 74 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.698 83.5 45.9 -76.7 -21.4 46.5 -11.3 1.6 23 167 A N T 3 S+ 0 0 11 -3,-0.1 260,-0.4 263,-0.0 2,-0.3 -0.288 93.6 95.4-119.7 46.3 47.7 -9.5 4.8 24 168 A V < - 0 0 50 -3,-0.7 3,-0.1 258,-0.1 258,-0.0 -0.964 43.8-172.4-131.3 151.5 49.5 -12.3 6.7 25 169 A H S S+ 0 0 62 -2,-0.3 2,-0.2 238,-0.0 -1,-0.1 0.320 83.8 12.7-117.3 -1.0 53.1 -13.5 7.0 26 170 A D S S- 0 0 41 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.802 85.7 -96.8-151.2-165.0 52.2 -16.6 8.9 27 171 A D S > S+ 0 0 63 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.014 73.3 121.1-116.0 29.6 49.2 -18.7 9.8 28 172 A E H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.897 77.7 49.0 -61.1 -42.3 48.4 -17.4 13.3 29 173 A L H > S+ 0 0 20 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.905 114.0 44.6 -64.5 -43.9 44.9 -16.3 12.3 30 174 A E H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.936 111.5 53.4 -66.1 -46.9 44.0 -19.6 10.7 31 175 A F H X S+ 0 0 62 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.827 110.9 48.0 -52.7 -37.0 45.5 -21.5 13.6 32 176 A T H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.857 107.7 53.5 -76.2 -37.7 43.2 -19.4 15.9 33 177 A R H < S+ 0 0 39 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.924 115.3 42.0 -58.9 -44.3 40.2 -20.1 13.7 34 178 A R H >< S+ 0 0 129 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.836 112.6 56.0 -68.2 -34.5 41.0 -23.8 14.1 35 179 A G H 3< S+ 0 0 19 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.815 102.8 53.1 -68.4 -32.7 41.8 -23.3 17.8 36 180 A L T 3X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.569 85.0 86.3 -84.4 -9.4 38.4 -21.7 18.8 37 181 A V H <> S+ 0 0 34 -3,-0.6 4,-2.8 -4,-0.4 5,-0.2 0.945 92.7 43.9 -54.7 -55.6 36.3 -24.6 17.3 38 182 A T H > S+ 0 0 103 -4,-0.5 4,-3.1 -3,-0.3 5,-0.3 0.957 112.1 51.1 -54.5 -59.2 36.5 -26.7 20.5 39 183 A P H > S+ 0 0 22 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.853 114.9 45.9 -49.0 -38.4 35.9 -23.7 22.9 40 184 A R H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.969 114.0 45.0 -68.7 -55.5 32.8 -22.9 20.8 41 185 A M H X S+ 0 0 89 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.883 110.2 56.7 -55.7 -41.8 31.4 -26.4 20.5 42 186 A A H X S+ 0 0 58 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.866 110.8 42.2 -61.2 -40.4 32.0 -27.1 24.2 43 187 A E H X S+ 0 0 16 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.859 113.3 53.0 -74.6 -37.4 29.9 -24.1 25.3 44 188 A V H < S+ 0 0 36 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.3 44.3 -61.3 -42.4 27.2 -24.9 22.7 45 189 A A H < S+ 0 0 90 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.692 116.2 48.0 -75.6 -19.7 26.9 -28.5 24.0 46 190 A S H < S+ 0 0 76 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.743 86.0 97.4 -96.4 -27.0 27.0 -27.4 27.6 47 191 A R S < S- 0 0 28 -4,-1.9 396,-0.0 1,-0.1 3,-0.0 -0.380 81.2-110.7 -70.4 140.3 24.4 -24.6 27.7 48 192 A D > - 0 0 88 1,-0.1 4,-2.3 394,-0.1 5,-0.2 -0.617 23.4-145.1 -72.1 118.1 20.8 -25.4 28.9 49 193 A P H > S+ 0 0 77 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.863 94.9 45.6 -52.6 -47.2 18.6 -25.0 25.7 50 194 A K H > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.948 115.9 43.3 -64.9 -53.3 15.5 -23.7 27.6 51 195 A L H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.766 113.4 53.8 -65.6 -28.6 17.4 -21.1 29.8 52 196 A Y H < S+ 0 0 7 -4,-2.3 392,-0.3 2,-0.2 -1,-0.2 0.858 106.5 51.4 -72.1 -38.1 19.5 -20.0 26.8 53 197 A A H < S+ 0 0 7 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.825 118.6 36.9 -66.1 -33.4 16.4 -19.3 24.6 54 198 A M H < S- 0 0 16 -4,-1.3 67,-0.7 -5,-0.1 -1,-0.2 0.563 87.6-158.6-100.4 -13.9 14.8 -17.2 27.3 55 199 A H < - 0 0 26 -4,-1.1 -3,-0.1 -5,-0.2 66,-0.1 0.802 12.2-150.9 38.1 56.4 18.0 -15.5 28.6 56 200 A P - 0 0 23 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.311 4.4-139.5 -59.0 137.3 16.7 -14.4 32.0 57 201 A W + 0 0 71 64,-0.4 75,-2.5 351,-0.0 76,-0.4 -0.839 41.0 154.3-104.2 97.7 18.5 -11.3 33.2 58 202 A V B -A 131 0A 44 -2,-0.8 351,-0.3 73,-0.2 2,-0.3 -0.667 29.5-152.9-123.3 169.4 19.2 -11.8 36.9 59 203 A T - 0 0 8 71,-2.2 -2,-0.0 -2,-0.2 349,-0.0 -0.977 15.9-154.9-142.4 153.8 21.5 -10.7 39.7 60 204 A S + 0 0 86 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.425 63.6 114.0-105.3 -4.3 22.8 -12.3 43.0 61 205 A K S S- 0 0 40 1,-0.1 -2,-0.1 69,-0.1 2,-0.1 -0.226 77.7 -97.7 -59.7 152.7 23.5 -8.8 44.5 62 206 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.430 41.0-102.3 -67.8 150.9 21.4 -7.7 47.5 63 207 A L - 0 0 13 -2,-0.1 5,-0.1 -3,-0.1 67,-0.1 -0.676 46.3-116.7 -71.2 122.7 18.4 -5.5 46.8 64 208 A P >> - 0 0 8 0, 0.0 4,-1.3 0, 0.0 3,-1.2 -0.168 18.4-112.9 -60.7 157.6 19.6 -2.0 47.9 65 209 A E H 3> S+ 0 0 56 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.868 113.6 62.6 -61.5 -40.1 17.9 -0.1 50.7 66 210 A Y H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 548,-0.0 0.672 107.3 45.7 -62.8 -17.2 16.4 2.6 48.4 67 211 A L H <4 S+ 0 0 9 -3,-1.2 3,-0.4 2,-0.1 4,-0.4 0.728 110.1 52.4 -93.1 -29.4 14.5 -0.2 46.7 68 212 A W H >< S+ 0 0 91 -4,-1.3 3,-0.8 -3,-0.2 -2,-0.2 0.815 104.0 58.0 -70.5 -32.5 13.3 -1.8 49.9 69 213 A K T 3< S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.601 101.7 57.2 -71.7 -11.9 12.1 1.6 51.1 70 214 A K T 3 S+ 0 0 118 -3,-0.4 2,-0.5 -5,-0.2 -1,-0.2 0.578 97.1 71.4 -93.7 -14.0 9.9 1.6 48.0 71 215 A I < - 0 0 26 -3,-0.8 2,-0.3 -4,-0.4 3,-0.3 -0.921 66.6-167.4-107.3 126.3 8.1 -1.7 48.9 72 216 A A > + 0 0 68 -2,-0.5 3,-1.2 3,-0.4 -3,-0.0 -0.836 65.4 14.9-113.7 151.2 5.6 -1.8 51.8 73 217 A N T 3 S- 0 0 158 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.759 116.4 -82.0 59.3 30.0 4.1 -4.7 53.6 74 218 A N T 3 S+ 0 0 90 -3,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.827 100.1 131.1 46.8 39.1 6.7 -7.1 52.1 75 219 A C < - 0 0 35 -3,-1.2 2,-0.5 17,-0.2 -3,-0.4 -0.974 41.0-172.7-133.6 119.4 4.4 -7.1 49.1 76 220 A I E -B 91 0B 12 15,-2.9 15,-1.8 -2,-0.4 2,-0.4 -0.950 20.7-139.9-110.0 130.9 5.2 -6.6 45.4 77 221 A F E -B 90 0B 128 -2,-0.5 67,-0.7 13,-0.2 2,-0.4 -0.751 17.1-171.2 -94.9 134.6 2.3 -6.4 43.0 78 222 A I E -Bc 89 144B 4 11,-1.8 11,-2.4 -2,-0.4 2,-0.6 -0.990 13.2-147.5-127.4 132.3 2.4 -8.0 39.5 79 223 A V E -Bc 88 145B 13 65,-2.7 67,-3.0 -2,-0.4 2,-0.6 -0.883 13.1-160.5-100.3 122.0 -0.1 -7.6 36.7 80 224 A I E -Bc 87 146B 2 7,-1.8 7,-1.5 -2,-0.6 2,-0.3 -0.912 7.4-164.6-109.3 117.8 -0.6 -10.7 34.5 81 225 A H E +Bc 86 147B 53 65,-3.1 67,-2.6 -2,-0.6 2,-0.3 -0.724 14.3 168.1-100.7 147.0 -2.1 -10.2 31.0 82 226 A R E > -B 85 0B 28 3,-1.8 3,-2.1 -2,-0.3 2,-1.1 -0.843 66.5 -42.4-158.3 123.5 -3.5 -12.8 28.6 83 227 A S T 3 S- 0 0 140 -2,-0.3 -2,-0.0 1,-0.3 3,-0.0 -0.441 126.5 -24.7 58.9 -93.1 -5.6 -12.1 25.5 84 228 A T T 3 S+ 0 0 92 -2,-1.1 2,-0.4 -3,-0.0 -1,-0.3 0.038 121.7 83.6-137.7 23.9 -7.8 -9.3 26.8 85 229 A T E < +B 82 0B 104 -3,-2.1 -3,-1.8 2,-0.0 2,-0.3 -0.998 47.3 178.1-136.0 135.4 -7.9 -10.0 30.6 86 230 A S E -B 81 0B 71 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.999 6.0-168.8-140.2 141.3 -5.4 -9.0 33.3 87 231 A Q E -B 80 0B 44 -7,-1.5 -7,-1.8 -2,-0.3 2,-0.2 -0.994 20.2-130.1-134.2 131.7 -5.3 -9.5 37.1 88 232 A T E -B 79 0B 90 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.573 27.9-160.7 -78.3 139.1 -3.0 -8.0 39.8 89 233 A I E -B 78 0B 25 -11,-2.4 -11,-1.8 -2,-0.2 2,-0.5 -0.971 19.2-125.9-129.1 138.4 -1.4 -10.5 42.2 90 234 A K E +B 77 0B 70 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.716 38.1 175.9 -79.3 123.0 0.2 -10.2 45.7 91 235 A V E -B 76 0B 3 -15,-1.8 -15,-2.9 -2,-0.5 -2,-0.0 -0.997 28.3-128.0-136.0 132.8 3.7 -11.7 45.6 92 236 A S > - 0 0 37 -2,-0.4 3,-1.9 -17,-0.2 36,-0.3 -0.526 27.5-119.6 -74.5 146.1 6.4 -11.9 48.2 93 237 A P T 3 S+ 0 0 5 0, 0.0 36,-1.6 0, 0.0 37,-0.3 0.772 113.0 57.5 -57.2 -25.8 9.9 -10.6 47.1 94 238 A D T 3 S+ 0 0 97 33,-0.1 -2,-0.0 34,-0.1 36,-0.0 0.527 82.7 118.1 -83.5 -7.8 11.3 -14.1 47.7 95 239 A D < - 0 0 51 -3,-1.9 33,-2.7 32,-0.1 34,-0.2 -0.246 58.0-135.1 -66.8 146.6 8.9 -15.9 45.3 96 240 A T >> - 0 0 30 31,-0.2 4,-2.3 32,-0.1 3,-1.8 -0.812 23.4-116.9 -99.3 140.6 10.1 -17.8 42.2 97 241 A P H 3> S+ 0 0 7 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.741 118.5 57.2 -43.6 -29.1 8.3 -17.4 38.8 98 242 A G H 3> S+ 0 0 43 26,-0.3 4,-0.9 2,-0.2 27,-0.1 0.822 108.9 43.2 -72.4 -35.2 7.4 -21.1 39.2 99 243 A A H <> S+ 0 0 49 -3,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.796 113.6 52.0 -77.9 -32.5 5.7 -20.5 42.5 100 244 A I H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.842 106.3 54.1 -70.8 -35.4 4.0 -17.4 41.2 101 245 A L H < S+ 0 0 24 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.807 103.1 55.9 -70.9 -31.0 2.7 -19.3 38.1 102 246 A Q H X S+ 0 0 108 -4,-0.9 4,-1.6 1,-0.2 3,-0.4 0.779 105.3 53.7 -69.2 -28.0 1.1 -21.9 40.4 103 247 A S H X S+ 0 0 53 -4,-0.8 4,-2.8 1,-0.3 2,-2.0 0.936 103.5 54.8 -69.2 -49.5 -0.8 -19.0 42.1 104 248 A F H < S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.2 -4,-0.1 -0.434 113.4 44.4 -80.2 61.7 -2.1 -17.8 38.7 105 249 A F H 4 S+ 0 0 59 -2,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.094 113.7 44.6-168.1 -43.9 -3.5 -21.3 38.2 106 250 A T H < S+ 0 0 118 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.836 117.6 46.8 -76.7 -38.8 -5.1 -22.0 41.6 107 251 A K < 0 0 75 -4,-2.8 -3,-0.2 1,-0.2 -1,-0.1 0.773 360.0 360.0 -72.2 -27.9 -6.6 -18.5 41.7 108 252 A M 0 0 106 -5,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.369 360.0 360.0 63.1 360.0 -7.9 -18.9 38.0 109 ! 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 0.0 110 269 A D 0 0 168 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.9 3.2 -25.1 31.0 111 270 A F - 0 0 112 39,-0.1 2,-0.3 -10,-0.1 39,-0.2 -0.415 360.0-138.3-103.5 176.6 3.4 -21.3 30.3 112 271 A V E -D 149 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0.900 114.8 47.7 -55.6 -45.7 59.9 -7.1 45.7 331 576 A W H >< S+ 0 0 40 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.920 109.2 50.4 -66.3 -47.9 61.7 -9.9 43.8 332 577 A H H 3< S+ 0 0 132 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.887 119.5 38.6 -59.6 -40.1 64.0 -10.9 46.7 333 578 A F T 3X S+ 0 0 45 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 -0.252 77.7 133.9-103.4 45.1 61.0 -11.2 49.0 334 579 A R H <> + 0 0 40 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.852 68.0 56.1 -60.5 -38.6 58.7 -12.7 46.3 335 580 A Y H 4 S+ 0 0 135 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.861 110.6 44.5 -66.0 -35.7 57.4 -15.4 48.6 336 581 A E H >4 S+ 0 0 21 -3,-0.2 3,-0.7 1,-0.2 -1,-0.2 0.844 112.6 52.7 -72.0 -35.8 56.3 -12.8 51.1 337 582 A S H >< S+ 0 0 0 -4,-1.9 3,-1.5 -7,-0.3 6,-0.3 0.778 98.5 65.6 -68.5 -28.3 54.8 -10.7 48.3 338 583 A L T 3< S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.711 88.2 67.5 -69.3 -21.7 52.9 -13.7 47.1 339 584 A K T < S+ 0 0 101 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.410 94.7 67.7 -77.0 1.6 50.8 -13.6 50.3 340 585 A H X> - 0 0 67 -3,-1.5 3,-2.0 1,-0.1 4,-0.5 -0.894 61.6-167.3-129.0 100.1 49.3 -10.3 49.0 341 586 A P G >4 S+ 0 0 28 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.884 90.8 63.5 -47.7 -43.3 47.0 -10.4 45.9 342 587 A K G 34 S+ 0 0 107 1,-0.3 4,-0.3 2,-0.1 -5,-0.0 0.713 99.9 54.3 -53.7 -24.5 47.3 -6.6 45.8 343 588 A A G <> S+ 0 0 0 -3,-2.0 4,-3.2 -6,-0.3 -1,-0.3 0.613 79.2 93.1 -88.9 -16.7 51.1 -7.0 45.1 344 589 A Y H S+ 0 0 6 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.960 116.7 41.3 -56.5 -50.7 51.0 -6.5 39.5 346 591 A K H >4 S+ 0 0 15 -4,-0.3 3,-0.6 1,-0.2 4,-0.4 0.908 115.9 50.9 -63.8 -42.2 54.0 -4.8 41.1 347 592 A L H >< S+ 0 0 0 -4,-3.2 3,-1.8 1,-0.2 -1,-0.2 0.941 109.4 49.0 -59.4 -50.1 55.7 -8.2 41.8 348 593 A F H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 3,-0.2 0.591 107.6 56.4 -72.0 -8.5 55.3 -9.4 38.2 349 594 A S T << S+ 0 0 41 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.475 97.6 63.1 -91.0 -9.8 56.7 -6.1 37.0 350 595 A S S < S+ 0 0 10 -3,-1.8 2,-0.4 -4,-0.4 -2,-0.2 0.337 81.9 108.3 -94.0 4.4 59.8 -6.7 39.1 351 596 A V S S- 0 0 11 -3,-0.2 2,-1.2 -4,-0.1 3,-0.1 -0.679 70.6-137.3 -84.6 130.3 60.6 -9.8 36.9 352 597 A K > - 0 0 127 -2,-0.4 3,-1.0 1,-0.2 7,-0.3 -0.782 23.0-173.9 -85.2 95.3 63.5 -9.6 34.5 353 598 A W T 3 S+ 0 0 22 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.630 74.4 67.1 -70.8 -15.1 61.7 -11.2 31.6 354 599 A G T 3 S+ 0 0 20 -127,-0.1 2,-0.4 -3,-0.1 -1,-0.3 -0.013 86.2 79.8 -95.0 27.5 64.9 -11.3 29.5 355 600 A Q X> - 0 0 94 -3,-1.0 4,-2.0 1,-0.1 3,-0.7 -0.940 67.8-155.7-137.2 110.5 66.5 -13.8 31.8 356 601 A Q H 3> S+ 0 0 104 -2,-0.4 4,-2.3 1,-0.3 -1,-0.1 0.859 91.5 50.2 -58.5 -45.6 65.5 -17.4 31.2 357 602 A E H 3> S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.756 110.1 52.1 -66.9 -26.2 66.3 -18.7 34.7 358 603 A I H <> S+ 0 0 19 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.919 108.9 49.0 -73.6 -45.8 64.4 -15.9 36.4 359 604 A V H X S+ 0 0 12 -4,-2.0 4,-2.5 -7,-0.3 -2,-0.2 0.897 107.9 56.0 -58.8 -42.7 61.3 -16.6 34.3 360 605 A A H X S+ 0 0 43 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.912 108.6 46.6 -54.3 -46.7 61.6 -20.2 35.3 361 606 A K H X S+ 0 0 98 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.859 109.2 55.9 -63.5 -38.1 61.5 -19.2 38.9 362 607 A T H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.907 107.9 47.0 -61.1 -44.8 58.5 -16.9 38.1 363 608 A Y H < S+ 0 0 73 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.870 112.2 50.5 -65.6 -36.8 56.6 -19.9 36.7 364 609 A Q H >< S+ 0 0 58 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.853 107.7 54.3 -65.3 -35.9 57.5 -21.9 39.8 365 610 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.825 103.8 55.2 -66.0 -33.9 56.3 -19.0 41.9 366 611 A L T 3< S+ 0 0 9 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.561 94.5 68.4 -76.7 -10.4 52.9 -19.2 40.1 367 612 A A T < S+ 0 0 87 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 0.604 92.3 61.8 -80.0 -14.1 52.7 -22.8 41.1 368 613 A R < + 0 0 52 -3,-1.0 3,-0.4 -4,-0.3 -1,-0.2 -0.455 65.9 135.8-106.2 56.8 52.3 -21.7 44.7 369 614 A R >> + 0 0 68 -3,-0.4 4,-2.5 -2,-0.3 3,-0.5 0.277 19.2 122.7 -91.6 8.4 49.1 -19.7 44.0 370 615 A E H 3> S+ 0 0 62 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.834 79.3 43.4 -39.1 -52.0 47.1 -20.9 47.1 371 616 A V H 3> S+ 0 0 58 -3,-0.4 4,-1.5 2,-0.2 -1,-0.3 0.880 113.6 51.1 -66.1 -41.4 46.5 -17.3 48.3 372 617 A W H <4 S+ 0 0 2 -3,-0.5 3,-0.4 1,-0.2 -2,-0.2 0.945 111.4 47.0 -59.6 -51.7 45.6 -15.9 44.8 373 618 A D H < S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.877 114.6 47.0 -58.2 -41.1 43.1 -18.6 44.1 374 619 A Q H < S+ 0 0 158 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.712 90.0 101.9 -78.5 -22.8 41.4 -18.2 47.5 375 620 A S S < S- 0 0 29 -4,-1.5 2,-0.1 -3,-0.4 3,-0.1 -0.223 84.3 -96.4 -63.7 150.3 41.1 -14.4 47.5 376 621 A A - 0 0 91 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.460 53.2 -90.8 -65.1 136.7 37.9 -12.6 46.8 377 622 A L - 0 0 55 -2,-0.1 2,-0.5 25,-0.1 -1,-0.1 -0.250 43.1-169.5 -51.6 128.9 37.6 -11.6 43.1 378 623 A D > - 0 0 70 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.957 7.7-166.8-127.4 107.7 39.0 -8.0 42.7 379 624 A V H > S+ 0 0 16 -2,-0.5 4,-3.7 2,-0.2 5,-0.2 0.923 87.8 51.9 -66.9 -45.9 38.2 -6.6 39.2 380 625 A G H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 114.6 44.3 -53.2 -47.9 40.6 -3.7 39.4 381 626 A L H > S+ 0 0 6 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.934 114.9 48.8 -61.6 -48.4 43.4 -6.0 40.4 382 627 A T H < S+ 0 0 1 -4,-3.0 4,-0.4 1,-0.2 3,-0.4 0.892 110.4 50.7 -59.1 -43.5 42.4 -8.5 37.7 383 628 A M H >< S+ 0 0 0 -4,-3.7 3,-1.6 1,-0.2 4,-0.3 0.877 100.9 64.2 -64.1 -38.2 42.2 -5.8 35.1 384 629 A Q H >< S+ 0 0 12 -4,-1.9 3,-1.0 1,-0.3 5,-0.2 0.861 100.9 50.3 -51.7 -42.0 45.7 -4.6 36.0 385 630 A L T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.609 107.4 56.0 -74.4 -12.1 47.2 -7.9 34.9 386 631 A L T < S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.4 38,-0.2 0.330 90.0 95.3-101.4 5.2 45.4 -7.7 31.6 387 632 A D S X S- 0 0 6 -3,-1.0 3,-1.4 -4,-0.3 -3,-0.0 -0.120 97.3 -81.6 -87.0-170.6 46.8 -4.3 30.5 388 633 A C T 3 S+ 0 0 9 1,-0.3 -1,-0.1 37,-0.0 -3,-0.1 0.658 117.9 74.0 -69.0 -19.4 49.8 -3.4 28.3 389 634 A N T 3 S+ 0 0 82 -5,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.502 91.8 62.0 -71.5 -4.8 52.2 -3.9 31.2 390 635 A F < + 0 0 12 -3,-1.4 -1,-0.1 1,-0.1 -196,-0.1 -0.900 44.2 158.4-134.2 107.5 51.9 -7.7 31.0 391 636 A S + 0 0 14 -2,-0.4 2,-0.3 34,-0.1 -1,-0.1 0.626 45.7 106.9 -96.2 -18.8 52.8 -9.9 28.0 392 637 A D > - 0 0 3 1,-0.1 4,-2.6 34,-0.1 5,-0.2 -0.496 59.4-150.7 -73.5 127.0 53.3 -13.2 29.7 393 638 A E H > S+ 0 0 52 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.829 95.2 54.2 -65.3 -35.0 50.5 -15.7 29.0 394 639 A N H > S+ 0 0 80 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.901 111.6 43.6 -68.1 -43.1 50.9 -17.5 32.4 395 640 A V H >> S+ 0 0 0 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.976 115.5 49.1 -60.6 -53.6 50.5 -14.2 34.4 396 641 A R H >X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.3 3,-0.8 0.834 104.3 60.5 -58.1 -35.4 47.6 -13.1 32.2 397 642 A A H 3X S+ 0 0 40 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.820 96.4 58.9 -64.6 -34.0 45.9 -16.4 32.6 398 643 A I H < S+ 0 0 76 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.903 104.5 48.0 -59.7 -43.7 41.0 -17.4 36.0 402 647 A K H >< S+ 0 0 19 -4,-1.1 3,-1.4 -3,-0.3 -2,-0.2 0.890 106.5 58.5 -62.8 -39.2 39.6 -14.8 38.5 403 648 A L H >< S+ 0 0 1 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.719 87.3 77.0 -61.6 -24.3 37.2 -13.5 35.8 404 649 A E T << S+ 0 0 73 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.728 88.8 57.9 -60.9 -23.3 35.6 -17.0 35.5 405 650 A S T < S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.569 80.0 111.5 -89.0 -9.5 33.7 -16.5 38.7 406 651 A L < - 0 0 6 -3,-1.6 2,-0.2 -4,-0.2 -3,-0.0 -0.391 66.2-129.7 -61.3 136.6 31.9 -13.3 37.5 407 652 A E >> - 0 0 48 -2,-0.1 4,-2.5 1,-0.1 3,-0.9 -0.500 29.8-100.3 -81.5 160.4 28.1 -13.7 37.0 408 653 A D H 3> S+ 0 0 49 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.860 123.2 58.3 -47.3 -45.5 26.5 -12.5 33.7 409 654 A D H 3> S+ 0 0 4 -351,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.889 111.4 40.8 -51.5 -46.5 25.4 -9.3 35.4 410 655 A D H <> S+ 0 0 34 -3,-0.9 4,-1.4 2,-0.2 3,-0.4 0.855 109.1 58.5 -75.0 -37.6 29.0 -8.4 36.3 411 656 A V H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.5 0.926 104.0 54.0 -55.9 -44.1 30.4 -9.6 32.9 412 657 A L H 3< S+ 0 0 27 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.785 103.5 56.3 -60.5 -32.0 28.1 -7.1 31.2 413 658 A H H 3< S+ 0 0 31 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.863 121.2 27.6 -65.9 -35.7 29.5 -4.3 33.4 414 659 A Y H S+ 0 0 6 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.932 114.6 41.7 -55.1 -52.5 33.4 -3.4 26.7 417 662 A Q H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.739 110.8 57.5 -76.0 -19.8 36.8 -3.0 28.4 418 663 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.891 108.9 46.5 -69.6 -39.6 37.4 -6.7 28.4 419 664 A V H >< S+ 0 0 0 -4,-2.4 3,-1.1 -5,-0.2 4,-0.4 0.935 114.1 48.0 -63.0 -46.9 36.9 -6.6 24.6 420 665 A Q H >< S+ 0 0 5 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.871 102.4 63.5 -60.6 -37.6 39.3 -3.6 24.5 421 666 A A H >< S+ 0 0 1 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.734 85.4 74.6 -60.8 -23.6 41.8 -5.5 26.7 422 667 A V G X< S+ 0 0 1 -3,-1.1 3,-1.6 -4,-0.7 -1,-0.3 0.774 81.7 70.2 -59.6 -27.8 42.2 -8.1 23.9 423 668 A K G < S+ 0 0 1 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.695 95.0 55.3 -59.8 -20.4 44.2 -5.4 22.2 424 669 A F G < S+ 0 0 11 -3,-2.1 -1,-0.3 -38,-0.2 -2,-0.2 0.447 82.6 108.6 -92.6 -3.9 46.9 -6.0 24.9 425 670 A E < - 0 0 10 -3,-1.6 -34,-0.1 -4,-0.2 5,-0.1 -0.558 62.2-148.6 -75.1 135.5 47.1 -9.8 24.2 426 671 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.861 81.4 42.8 -69.3 -34.8 50.3 -10.8 22.5 427 672 A Y S S- 0 0 5 2,-0.1 -174,-0.0 1,-0.1 -2,-0.0 -0.856 77.3-128.7-119.6 149.8 48.6 -13.7 20.6 428 673 A H S S+ 0 0 16 -2,-0.3 2,-0.6 1,-0.0 -1,-0.1 0.843 102.6 59.8 -62.1 -38.6 45.3 -14.0 18.7 429 674 A D S S+ 0 0 29 4,-0.1 2,-0.3 -401,-0.0 -2,-0.1 -0.855 76.5 148.0 -91.5 124.6 44.5 -17.1 20.7 430 675 A S > - 0 0 4 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.984 61.7-108.8-152.5 156.5 44.4 -16.2 24.4 431 676 A A H > S+ 0 0 43 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.903 120.7 51.8 -51.0 -42.8 42.6 -17.2 27.6 432 677 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 107.8 49.8 -65.3 -43.5 40.8 -13.8 27.5 433 678 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 113.8 46.6 -60.2 -41.2 39.6 -14.3 23.9 434 679 A R H X S+ 0 0 100 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.875 110.1 54.3 -69.7 -37.1 38.3 -17.8 24.9 435 680 A F H X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.958 110.5 44.2 -59.1 -54.4 36.6 -16.3 28.0 436 681 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.931 114.9 49.9 -57.2 -46.9 34.7 -13.7 26.0 437 682 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.913 112.5 48.6 -56.1 -46.7 33.8 -16.4 23.4 438 683 A K H X S+ 0 0 62 -4,-3.0 4,-1.6 1,-0.2 3,-0.3 0.963 113.4 44.0 -57.5 -56.2 32.6 -18.7 26.2 439 684 A R H X S+ 0 0 7 -4,-2.9 4,-1.1 1,-0.2 8,-0.3 0.796 111.6 53.7 -66.6 -31.8 30.5 -16.1 28.1 440 685 A G H < S+ 0 0 0 -4,-2.2 7,-0.5 -5,-0.2 -1,-0.2 0.845 110.9 45.7 -69.9 -35.9 28.9 -14.8 24.9 441 686 A L H < S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.766 110.6 55.2 -77.1 -26.3 27.8 -18.2 23.8 442 687 A R H < S+ 0 0 87 -4,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.795 116.8 32.0 -73.2 -29.0 26.5 -19.0 27.3 443 688 A N X - 0 0 14 -4,-1.1 4,-2.5 -5,-0.1 -1,-0.2 -0.980 64.7-146.5-144.4 122.3 24.2 -16.0 27.4 444 689 A K H > S+ 0 0 24 -2,-0.4 4,-1.9 -392,-0.3 5,-0.1 0.771 99.3 52.6 -59.4 -33.3 22.3 -14.1 24.7 445 690 A R H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 112.6 43.0 -71.9 -47.1 22.6 -10.6 26.3 446 691 A I H > S+ 0 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114.0 49.0 -71.8 -39.8 29.4 9.8 46.3 758 1017 A Y H X S+ 0 0 0 -4,-3.4 4,-1.3 -5,-0.2 -2,-0.2 0.927 114.5 44.3 -65.2 -46.3 33.0 11.1 46.0 759 1018 A L H X S+ 0 0 26 -4,-3.1 4,-0.9 -5,-0.2 -1,-0.2 0.812 108.6 58.9 -67.3 -32.9 34.2 9.1 49.0 760 1019 A A H < S+ 0 0 1 -4,-1.5 3,-0.2 -5,-0.3 -1,-0.2 0.842 106.0 48.2 -65.9 -35.7 32.3 6.0 47.7 761 1020 A L H >< S+ 0 0 0 -4,-1.4 3,-2.0 1,-0.2 7,-0.2 0.847 102.2 63.5 -71.0 -34.7 34.3 6.1 44.5 762 1021 A R H >< S+ 0 0 35 -4,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.762 90.3 66.0 -64.8 -25.8 37.6 6.5 46.4 763 1022 A H T 3< S+ 0 0 112 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.685 106.8 44.5 -64.0 -17.2 37.1 3.0 48.0 764 1023 A H T <> S+ 0 0 66 -3,-2.0 4,-2.0 -4,-0.2 -1,-0.3 -0.110 75.3 135.0-117.8 34.9 37.5 1.8 44.4 765 1024 A T H <> S+ 0 0 19 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.883 70.7 48.0 -52.2 -51.4 40.5 3.9 43.5 766 1025 A N H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 110.3 51.7 -59.7 -45.3 42.5 1.2 41.8 767 1026 A L H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 112.9 45.4 -59.9 -43.2 39.6 0.0 39.6 768 1027 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 -7,-0.2 5,-0.3 0.892 111.2 52.3 -68.5 -41.4 38.9 3.5 38.4 769 1028 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.940 113.1 44.7 -59.4 -49.6 42.6 4.3 37.7 770 1029 A I H X S+ 0 0 6 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.893 114.1 47.9 -61.4 -44.6 43.0 1.2 35.6 771 1030 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 115.6 44.8 -65.7 -45.6 39.8 1.6 33.7 772 1031 A F H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 114.0 51.4 -59.3 -45.2 40.6 5.2 32.9 773 1032 A S H X S+ 0 0 9 -4,-2.7 4,-1.2 -5,-0.3 -2,-0.2 0.934 112.9 43.7 -60.7 -48.3 44.1 4.2 32.1 774 1033 A M H X S+ 0 0 2 -4,-3.2 4,-2.0 1,-0.2 5,-0.3 0.876 109.1 58.6 -64.0 -40.2 42.9 1.5 29.6 775 1034 A M H X>S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.7 0.924 105.9 48.1 -54.2 -50.3 40.3 3.8 28.1 776 1035 A L H X5S+ 0 0 34 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.800 114.0 47.3 -62.7 -31.5 43.0 6.3 27.1 777 1036 A M H <5S+ 0 0 14 -4,-1.2 -501,-3.2 -5,-0.2 -500,-0.4 0.775 125.0 27.9 -81.6 -29.3 45.2 3.6 25.6 778 1037 A T H <5S+ 0 0 8 -4,-2.0 -2,-0.2 -3,-0.2 -3,-0.2 0.622 133.3 25.6-106.0 -20.4 42.5 1.9 23.6 779 1038 A G H <5 0 0 1 -4,-2.8 -3,-0.2 -5,-0.3 -186,-0.1 0.627 360.0 360.0-127.4 -19.3 40.0 4.7 22.9 780 1039 A M << 0 0 82 -5,-0.7 -1,-0.1 -4,-0.5 -62,-0.0 -0.847 360.0 360.0-100.7 360.0 41.5 8.2 22.9 781 ! 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 0.0 782 1044 A S >> 0 0 57 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 170.4 50.7 10.6 27.5 783 1045 A K H 3> + 0 0 155 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.851 360.0 60.6 -54.9 -40.1 51.4 9.5 31.1 784 1046 A E H 34 S+ 0 0 131 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.723 99.7 54.7 -68.4 -26.3 50.5 13.0 32.4 785 1047 A D H X4 S+ 0 0 93 -3,-0.8 3,-0.7 2,-0.2 4,-0.3 0.877 109.4 48.1 -70.1 -39.5 46.9 12.7 31.1 786 1048 A I H >< S+ 0 0 24 -4,-1.1 3,-1.2 -3,-0.2 4,-0.3 0.871 103.2 61.3 -68.6 -38.1 46.5 9.4 33.0 787 1049 A E T >X S+ 0 0 78 -4,-1.9 4,-1.2 1,-0.3 3,-0.9 0.639 82.9 82.4 -66.0 -17.5 47.9 10.9 36.3 788 1050 A Y H <> S+ 0 0 88 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.3 0.859 85.6 57.4 -52.0 -40.9 45.0 13.5 36.4 789 1051 A I H <> S+ 0 0 1 -3,-1.2 4,-1.8 -4,-0.3 -1,-0.2 0.752 98.7 59.5 -69.2 -25.3 42.7 10.9 37.9 790 1052 A R H <4>S+ 0 0 47 -3,-0.9 5,-1.9 -4,-0.3 -1,-0.2 0.918 109.5 42.0 -66.8 -46.1 45.1 10.3 40.9 791 1053 A D H ><5S+ 0 0 111 -4,-1.2 3,-1.2 1,-0.2 -2,-0.2 0.897 113.9 53.4 -66.0 -41.8 44.9 14.0 41.9 792 1054 A A H 3<5S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.836 113.3 42.8 -60.6 -35.4 41.1 13.9 41.2 793 1055 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.328 106.8-131.9 -93.7 6.5 40.8 10.8 43.5 794 1056 A T T X 5 - 0 0 19 -3,-1.2 3,-1.5 1,-0.1 -3,-0.2 0.870 27.8-160.4 40.3 55.2 43.1 12.4 46.1 795 1057 A V T 3 - 0 0 102 -2,-0.3 4,-1.7 -3,-0.1 5,-0.1 -0.207 33.7 -99.5 -73.2 173.4 42.6 10.5 54.5 799 1061 A E H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.916 118.3 50.6 -65.8 -49.4 38.8 10.9 54.3 800 1062 A E H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 114.6 46.1 -55.4 -45.4 38.2 14.1 56.2 801 1063 A D H > S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.832 114.0 48.9 -65.2 -34.9 40.9 15.8 54.1 802 1064 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.825 106.4 56.4 -74.1 -34.6 39.3 14.3 50.9 803 1065 A K H X S+ 0 0 19 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.940 109.8 45.4 -59.1 -49.0 35.8 15.5 52.0 804 1066 A K H X S+ 0 0 42 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.850 106.1 61.4 -63.3 -38.2 37.1 19.1 52.2 805 1067 A Y H X S+ 0 0 70 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.925 110.4 38.7 -55.5 -49.2 38.9 18.8 48.9 806 1068 A F H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.814 111.4 58.6 -74.2 -31.5 35.7 18.1 47.0 807 1069 A L H X S+ 0 0 62 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.885 105.2 51.9 -59.9 -40.0 33.8 20.6 49.2 808 1070 A D H X S+ 0 0 97 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.803 102.7 58.4 -64.4 -33.0 36.4 23.2 47.9 809 1071 A Q H X S+ 0 0 34 -4,-1.0 4,-1.5 2,-0.2 -82,-0.2 0.840 103.7 52.0 -67.8 -34.7 35.7 22.2 44.3 810 1072 A I H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.894 108.2 52.2 -64.0 -41.2 32.0 23.1 44.8 811 1073 A E H X S+ 0 0 63 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.801 103.3 56.9 -67.2 -32.4 33.1 26.5 46.1 812 1074 A V H X S+ 0 0 48 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.934 106.9 49.8 -62.4 -45.8 35.3 27.1 43.0 813 1075 A C H X S+ 0 0 4 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.848 110.2 50.7 -58.1 -38.1 32.1 26.6 40.9 814 1076 A R H < S+ 0 0 66 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 111.7 47.5 -70.2 -36.3 30.2 29.1 43.1 815 1077 A D H < S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 111.0 49.4 -69.8 -43.5 33.0 31.7 42.7 816 1078 A K H >< S+ 0 0 82 -4,-2.4 3,-2.4 1,-0.2 4,-0.4 0.626 81.0 168.5 -74.3 -15.8 33.4 31.4 38.9 817 1079 A G T 3< - 0 0 21 -4,-0.8 4,-0.3 1,-0.3 -1,-0.2 -0.105 69.2 -15.1 42.1-113.5 29.6 31.8 38.4 818 1080 A W T 3> S+ 0 0 43 1,-0.1 4,-2.9 2,-0.1 -1,-0.3 0.385 109.8 99.1 -99.0 -0.9 28.9 32.3 34.7 819 1081 A T H <> S+ 0 0 74 -3,-2.4 4,-2.3 1,-0.2 5,-0.1 0.931 85.1 42.7 -55.4 -54.5 32.4 33.2 33.6 820 1082 A V H > S+ 0 0 8 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.910 116.7 48.0 -62.5 -45.1 33.4 29.8 32.2 821 1083 A Q H > S+ 0 0 4 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.911 110.7 51.2 -60.7 -46.1 30.0 29.2 30.5 822 1084 A F H X S+ 0 0 92 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.887 107.8 53.6 -58.0 -43.0 30.1 32.7 29.0 823 1085 A N H X S+ 0 0 68 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.886 106.8 51.3 -59.6 -42.7 33.6 32.0 27.6 824 1086 A W H X S+ 0 0 80 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.896 107.2 53.8 -59.7 -43.0 32.4 28.8 25.9 825 1087 A F H < S+ 0 0 53 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.903 110.5 46.2 -58.3 -43.9 29.6 30.8 24.3 826 1088 A L H >< S+ 0 0 87 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.903 110.9 53.2 -64.3 -41.7 32.2 33.2 22.9 827 1089 A H H >< S+ 0 0 130 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.870 106.5 52.1 -61.7 -40.3 34.3 30.2 21.8 828 1090 A L T 3< S+ 0 0 104 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 -0.130 106.2 55.0 -87.7 34.3 31.3 28.8 20.0 829 1091 A V T < 0 0 94 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.031 360.0 360.0-137.9 13.7 31.0 32.2 18.3 830 1092 A L < 0 0 131 -3,-1.3 -4,-0.1 -5,-0.1 -2,-0.1 -0.218 360.0 360.0 63.0 360.0 34.6 32.0 17.0