==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-09 3L08 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.ELKINS,E.M.MARRERO . 828 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 580 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 13.6 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 . 4 0.5 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 . 58 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 33.8 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+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 2 4 1 1 5 0 3 3 0 1 3 0 1 2 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 4 4 4 1 4 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 144 A S 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.5 30.5 -28.4 2.6 2 145 A E > + 0 0 151 2,-0.1 4,-1.8 3,-0.1 5,-0.1 0.659 360.0 50.7-115.5 -32.8 28.2 -25.8 1.0 3 146 A E T 4 S+ 0 0 103 2,-0.2 5,-0.1 1,-0.2 0, 0.0 0.811 107.3 56.9 -73.9 -30.5 26.0 -24.8 3.9 4 147 A S T >> S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.808 105.1 54.1 -66.8 -29.9 29.2 -24.2 5.9 5 148 A Q H 3> S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.984 107.1 46.1 -66.1 -59.5 30.2 -21.8 3.2 6 149 A A H 3< S+ 0 0 57 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.309 118.2 48.8 -68.2 12.4 27.1 -19.7 3.3 7 150 A F H <> S+ 0 0 21 -3,-0.6 4,-2.2 2,-0.1 -1,-0.2 0.613 106.8 49.2-119.7 -34.5 27.6 -19.7 7.0 8 151 A Q H X S+ 0 0 28 -4,-2.1 4,-2.3 -3,-0.4 -2,-0.2 0.787 112.0 53.5 -71.6 -29.1 31.3 -18.8 7.2 9 152 A R H X S+ 0 0 168 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.835 107.0 50.3 -72.7 -34.6 30.3 -16.0 4.9 10 153 A Q H > S+ 0 0 64 -5,-0.3 4,-2.1 2,-0.2 5,-0.2 0.947 110.0 50.3 -65.1 -49.7 27.6 -15.0 7.4 11 154 A L H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.2 0.925 109.4 51.0 -52.1 -49.1 30.1 -15.0 10.2 12 155 A T H X>S+ 0 0 34 -4,-2.3 4,-3.6 1,-0.2 5,-1.0 0.903 109.0 52.5 -54.3 -41.5 32.5 -12.8 8.1 13 156 A A H <5S+ 0 0 59 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.825 114.0 41.1 -68.9 -34.1 29.5 -10.4 7.5 14 157 A L H <5S+ 0 0 4 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.910 119.2 46.0 -74.2 -46.4 28.8 -10.2 11.2 15 158 A I H <5S- 0 0 1 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.917 97.9-137.2 -63.6 -46.4 32.5 -10.0 12.1 16 159 A G T <5S+ 0 0 47 -4,-3.6 2,-0.3 -5,-0.2 -3,-0.2 0.714 77.0 64.3 90.7 25.5 33.4 -7.5 9.4 17 160 A Y S - 0 0 58 -2,-0.3 3,-0.8 1,-0.1 -9,-0.1 -0.791 18.2-167.8 -97.9 106.4 37.5 -12.7 7.0 19 162 A V T 3 S+ 0 0 11 -2,-0.8 -1,-0.1 1,-0.2 15,-0.1 0.427 89.7 57.6 -73.1 3.7 39.2 -15.0 9.6 20 163 A T T 3 S+ 0 0 58 2,-0.0 -1,-0.2 11,-0.0 2,-0.0 0.712 77.5 108.8 -98.4 -29.7 40.2 -17.3 6.7 21 164 A D < + 0 0 64 -3,-0.8 3,-0.2 1,-0.1 0, 0.0 -0.270 40.3 177.3 -52.4 120.6 42.1 -14.6 4.8 22 165 A V > + 0 0 101 1,-0.1 3,-0.6 2,-0.1 -1,-0.1 -0.041 45.5 111.4-117.7 29.3 45.8 -15.5 5.0 23 166 A S T 3 S+ 0 0 80 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.453 83.4 39.9 -81.4 -1.1 47.1 -12.7 2.9 24 167 A N T 3 S+ 0 0 10 -3,-0.2 264,-0.5 268,-0.0 2,-0.4 0.124 90.1 98.6-139.3 24.0 48.8 -11.0 5.8 25 168 A V < - 0 0 50 -3,-0.6 262,-0.1 1,-0.1 3,-0.0 -0.906 43.3-167.5-117.2 144.1 50.3 -13.6 8.1 26 169 A H S S+ 0 0 59 -2,-0.4 2,-0.2 241,-0.0 -1,-0.1 0.299 81.8 15.5-106.6 7.2 53.9 -14.8 8.4 27 170 A D S S- 0 0 38 230,-0.0 3,-0.1 0, 0.0 4,-0.1 -0.827 84.8 -99.5-153.7-166.8 53.0 -17.8 10.5 28 171 A D S > S+ 0 0 65 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 0.034 76.3 117.1-114.5 28.0 49.9 -19.9 11.5 29 172 A E H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.943 75.8 49.3 -62.6 -50.9 49.2 -18.4 15.0 30 173 A L H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 115.0 46.0 -52.8 -45.4 45.8 -16.9 14.2 31 174 A E H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 110.4 51.9 -65.0 -47.2 44.7 -20.3 12.7 32 175 A F H X S+ 0 0 82 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.868 109.5 51.8 -55.6 -39.9 46.1 -22.3 15.6 33 176 A T H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.880 103.4 56.7 -67.2 -40.5 44.1 -20.0 17.9 34 177 A R H < S+ 0 0 42 -4,-1.9 4,-0.2 2,-0.2 -2,-0.2 0.930 114.5 39.8 -54.4 -45.4 40.9 -20.6 15.9 35 178 A R H >< S+ 0 0 179 -4,-1.9 3,-1.8 1,-0.2 4,-0.5 0.924 113.2 54.3 -69.3 -45.8 41.5 -24.3 16.6 36 179 A G H >< S+ 0 0 21 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.841 102.2 59.4 -56.9 -34.4 42.6 -23.8 20.2 37 180 A L T 3X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.557 84.4 81.4 -76.5 -5.9 39.5 -21.8 21.0 38 181 A V H <> S+ 0 0 38 -3,-1.8 4,-2.8 -4,-0.2 5,-0.2 0.915 88.5 52.1 -67.8 -42.4 37.2 -24.7 20.1 39 182 A T H <> S+ 0 0 104 -3,-0.7 4,-2.8 -4,-0.5 5,-0.2 0.944 110.3 45.2 -60.5 -53.7 37.6 -26.5 23.5 40 183 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.907 114.7 51.3 -58.3 -41.2 36.8 -23.5 25.7 41 184 A R H X S+ 0 0 10 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.953 114.1 41.3 -58.2 -53.7 33.8 -22.7 23.5 42 185 A M H X S+ 0 0 82 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.824 111.8 56.9 -68.4 -32.0 32.4 -26.2 23.6 43 186 A A H X S+ 0 0 43 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.945 113.4 39.0 -61.0 -48.4 33.1 -26.5 27.3 44 187 A E H < S+ 0 0 10 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.936 117.4 48.6 -70.8 -48.3 31.1 -23.4 28.1 45 188 A V H >< S+ 0 0 35 -4,-2.7 3,-1.6 -5,-0.2 -2,-0.2 0.954 112.0 49.9 -52.0 -54.0 28.3 -24.1 25.6 46 189 A A H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 114.9 43.6 -61.4 -26.1 28.0 -27.8 26.8 47 190 A S T 3< S+ 0 0 91 -4,-1.1 2,-0.4 -3,-0.4 -1,-0.3 0.165 88.1 112.3-109.0 20.5 27.8 -26.8 30.5 48 191 A R S < S- 0 0 34 -3,-1.6 407,-0.0 -4,-0.2 -3,-0.0 -0.752 71.5-112.5 -98.5 141.8 25.4 -23.8 30.2 49 192 A D > - 0 0 88 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.542 19.2-148.4 -72.0 125.8 21.9 -23.9 31.7 50 193 A P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.941 93.3 40.1 -57.4 -56.0 19.2 -23.8 28.9 51 194 A K H > S+ 0 0 147 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.892 118.2 45.5 -67.3 -43.8 16.5 -21.9 30.8 52 195 A L H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.806 113.6 51.0 -72.2 -28.5 18.8 -19.4 32.6 53 196 A Y H < S+ 0 0 5 -4,-1.7 404,-0.3 2,-0.2 -2,-0.2 0.881 110.3 49.5 -72.3 -37.6 20.6 -18.7 29.3 54 197 A A H < S+ 0 0 8 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.876 122.3 32.3 -66.4 -37.7 17.4 -18.1 27.5 55 198 A M H < S- 0 0 14 -4,-1.8 66,-0.6 -5,-0.1 -2,-0.2 0.685 85.3-159.8 -98.3 -21.8 16.1 -15.7 30.1 56 199 A H < - 0 0 19 -4,-2.0 65,-0.2 -5,-0.2 -3,-0.1 0.882 13.4-146.9 41.3 63.1 19.4 -14.1 31.2 57 200 A P - 0 0 22 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.360 4.9-139.0 -55.5 131.9 18.3 -12.7 34.6 58 201 A W + 0 0 66 63,-0.5 74,-2.4 -2,-0.0 75,-0.5 -0.803 43.0 153.0 -99.1 95.5 20.2 -9.5 35.4 59 202 A V B -A 131 0A 44 -2,-1.0 2,-0.3 72,-0.2 363,-0.3 -0.659 30.4-156.6-122.0 173.0 21.0 -9.8 39.1 60 203 A T - 0 0 3 70,-2.0 -2,-0.0 -2,-0.2 361,-0.0 -0.993 17.5-151.0-149.4 146.1 23.5 -8.7 41.8 61 204 A S + 0 0 98 -2,-0.3 -1,-0.1 2,-0.0 69,-0.0 0.515 64.7 114.8 -94.0 -8.2 24.6 -9.9 45.1 62 205 A K S S- 0 0 44 1,-0.1 -2,-0.1 68,-0.1 2,-0.1 -0.154 76.3 -97.8 -58.2 156.3 25.4 -6.4 46.4 63 206 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.390 43.1 -96.4 -70.9 155.1 23.4 -5.0 49.3 64 207 A L - 0 0 7 1,-0.1 5,-0.1 -2,-0.1 66,-0.1 -0.653 51.0-107.7 -73.5 120.9 20.5 -2.7 48.5 65 208 A P >> - 0 0 9 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.063 20.5-118.9 -48.3 148.9 22.0 0.9 48.8 66 209 A E H 3> S+ 0 0 108 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.877 116.8 52.5 -58.8 -40.6 20.8 2.9 51.9 67 210 A Y H 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.706 107.1 53.3 -70.3 -20.0 19.3 5.5 49.6 68 211 A L H X4 S+ 0 0 7 -3,-0.7 3,-0.6 1,-0.1 -1,-0.2 0.718 105.9 54.9 -83.0 -24.3 17.4 2.7 47.9 69 212 A W H >< S+ 0 0 100 -4,-1.3 3,-2.7 -3,-0.3 2,-1.3 0.952 94.3 65.5 -67.9 -52.5 16.1 1.6 51.3 70 213 A K T 3< S+ 0 0 161 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.195 97.0 61.3 -59.9 22.4 14.6 5.0 52.2 71 214 A K T < S+ 0 0 101 -2,-1.3 2,-0.5 -3,-0.6 -1,-0.3 0.172 83.7 88.5-132.7 11.2 12.2 4.3 49.3 72 215 A I < - 0 0 25 -3,-2.7 2,-0.7 5,-0.1 3,-0.5 -0.947 66.5-148.8-116.8 112.1 10.6 1.2 50.7 73 216 A A S S- 0 0 77 -2,-0.5 3,-0.4 3,-0.5 -3,-0.0 -0.704 74.1 -24.9 -86.0 112.3 7.5 1.7 52.9 74 217 A N S S- 0 0 165 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.930 115.3 -61.3 54.3 56.9 7.2 -1.0 55.6 75 218 A N S S+ 0 0 101 -3,-0.5 2,-0.4 1,-0.1 -1,-0.2 0.838 105.6 127.1 38.6 48.1 9.1 -3.8 53.8 76 219 A C - 0 0 24 -3,-0.4 -3,-0.5 17,-0.1 2,-0.4 -0.987 37.5-175.5-136.7 126.7 6.6 -3.7 50.9 77 220 A I E -B 92 0B 8 15,-3.5 15,-1.7 -2,-0.4 2,-0.5 -0.985 21.9-136.4-120.0 129.1 7.2 -3.4 47.2 78 221 A F E -B 91 0B 111 -2,-0.4 66,-0.6 13,-0.2 2,-0.5 -0.719 18.3-172.0 -90.8 127.8 4.3 -3.2 44.8 79 222 A I E -Bc 90 144B 2 11,-1.8 2,-1.0 -2,-0.5 11,-0.7 -0.943 12.2-151.1-124.4 111.4 4.4 -5.2 41.6 80 223 A V E -Bc 89 145B 17 64,-1.8 66,-1.6 -2,-0.5 2,-0.5 -0.692 13.4-160.4 -86.9 102.8 1.8 -4.7 39.0 81 224 A I E -Bc 88 146B 2 7,-2.3 7,-2.5 -2,-1.0 2,-0.4 -0.715 1.5-158.7 -87.3 124.2 1.3 -7.9 37.0 82 225 A H E +Bc 87 147B 44 64,-2.3 66,-2.3 -2,-0.5 5,-0.2 -0.860 14.3 176.0-101.8 133.3 -0.4 -7.6 33.6 83 226 A R - 0 0 52 3,-0.6 -1,-0.2 -2,-0.4 4,-0.1 0.852 66.5 -53.4 -94.5 -78.8 -2.1 -10.6 32.0 84 227 A S S S- 0 0 120 63,-0.1 -2,-0.0 0, 0.0 3,-0.0 0.546 121.1 -9.9-127.7 -64.6 -3.8 -9.6 28.8 85 228 A T S S+ 0 0 142 2,-0.0 2,-0.0 -3,-0.0 -3,-0.0 0.621 125.2 60.4-112.7 -25.4 -6.1 -6.6 29.3 86 229 A T - 0 0 103 2,-0.0 -3,-0.6 0, 0.0 2,-0.2 -0.096 61.1-160.1 -94.1-167.9 -6.2 -6.5 33.1 87 230 A S E -B 82 0B 64 -5,-0.2 2,-0.5 -4,-0.1 -5,-0.2 -0.852 5.5-151.4-175.9 136.3 -3.6 -5.9 35.8 88 231 A Q E -B 81 0B 77 -7,-2.5 -7,-2.3 -2,-0.2 2,-0.4 -0.970 11.5-142.8-124.5 124.2 -3.2 -6.6 39.5 89 232 A T E -B 80 0B 76 -2,-0.5 2,-0.3 -9,-0.3 -9,-0.2 -0.677 28.4-164.5 -82.3 132.7 -1.1 -4.6 41.9 90 233 A I E -B 79 0B 24 -11,-0.7 -11,-1.8 -2,-0.4 2,-0.6 -0.912 23.9-125.2-128.7 144.7 0.5 -6.8 44.5 91 234 A K E +B 78 0B 161 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.768 38.5 174.3 -82.7 122.3 2.3 -6.5 47.9 92 235 A V E -B 77 0B 8 -15,-1.7 -15,-3.5 -2,-0.6 -2,-0.0 -0.950 28.9-128.6-128.5 149.0 5.7 -8.1 47.8 93 236 A S > - 0 0 46 -2,-0.3 3,-2.2 -17,-0.2 35,-0.3 -0.844 20.6-129.2 -95.6 135.0 8.5 -8.4 50.3 94 237 A P T 3 S+ 0 0 1 0, 0.0 35,-1.7 0, 0.0 36,-0.2 0.738 106.0 57.0 -51.5 -24.7 12.0 -7.3 49.0 95 238 A D T 3 S+ 0 0 98 33,-0.2 2,-0.3 32,-0.1 -20,-0.0 0.525 86.9 95.7 -89.7 -6.6 13.4 -10.6 50.3 96 239 A D S < S- 0 0 48 -3,-2.2 32,-2.3 31,-0.1 33,-0.1 -0.625 70.4-118.5 -96.6 147.9 11.2 -13.1 48.5 97 240 A T > - 0 0 39 -2,-0.3 4,-2.3 30,-0.2 28,-0.1 -0.220 23.1-113.9 -75.7 162.4 12.0 -14.9 45.2 98 241 A P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.833 117.6 60.0 -64.5 -33.6 10.0 -14.6 41.9 99 242 A G H > S+ 0 0 42 25,-0.4 4,-1.6 2,-0.2 5,-0.2 0.961 107.5 45.3 -56.4 -52.5 9.0 -18.3 42.3 100 243 A A H >> S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.956 108.4 57.5 -50.4 -56.3 7.3 -17.3 45.6 101 244 A I H 3< S+ 0 0 5 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.859 105.0 51.0 -45.9 -46.6 5.8 -14.2 43.9 102 245 A L H >X S+ 0 0 32 -4,-2.3 4,-1.7 1,-0.2 3,-1.5 0.897 108.6 50.2 -60.9 -43.3 4.0 -16.4 41.3 103 246 A Q H -D 146 0B 2 5,-2.7 3,-1.4 -2,-0.5 5,-0.4 -0.256 48.5 -98.7 -50.5 134.8 9.3 -6.6 32.4 116 275 A C T 3 S+ 0 0 13 29,-2.2 470,-0.4 1,-0.3 -1,-0.1 -0.437 101.0 0.8 -67.5 118.4 6.7 -4.8 30.3 117 276 A G T 3 S+ 0 0 6 -2,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.788 116.5 87.9 79.9 29.8 8.0 -3.8 26.9 118 277 A R S < S- 0 0 46 -3,-1.4 2,-1.5 2,-0.1 -1,-0.2 -0.992 82.0-117.0-153.4 151.6 11.5 -5.3 27.3 119 278 A D S S+ 0 0 25 434,-2.5 2,-0.4 -2,-0.3 435,-0.1 -0.572 76.6 118.6 -85.8 69.8 13.5 -8.4 26.9 120 279 A E - 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0 0 8 1,-0.1 3,-2.3 4,-0.0 -1,-0.1 -0.492 32.1-105.2 -90.8 162.0 50.7 4.1 43.7 331 563 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.836 121.5 52.3 -52.8 -38.0 50.7 2.1 40.4 332 564 A L T 3 S+ 0 0 34 465,-0.1 466,-0.0 2,-0.1 469,-0.0 0.356 83.4 113.9 -83.8 7.4 52.2 5.1 38.6 333 565 A N < - 0 0 44 -3,-2.3 2,-0.1 1,-0.0 -4,-0.1 -0.723 68.6-128.0 -83.9 119.0 54.9 5.4 41.1 334 566 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.378 14.2-135.5 -70.6 136.6 58.3 4.6 39.5 335 567 A L - 0 0 35 -2,-0.1 2,-0.2 27,-0.1 -9,-0.0 -0.789 12.4-143.1 -92.1 131.6 60.6 2.0 41.1 336 568 A T >> - 0 0 66 -2,-0.4 4,-2.0 1,-0.1 3,-0.6 -0.521 31.7-106.3 -82.0 160.2 64.3 2.8 41.4 337 569 A A H 3> S+ 0 0 55 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.814 124.5 59.6 -55.6 -30.1 66.9 0.0 40.9 338 570 A E H 3> S+ 0 0 122 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.904 104.2 49.0 -63.9 -41.7 67.3 0.2 44.7 339 571 A D H <> S+ 0 0 29 -3,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.919 112.2 47.5 -64.3 -45.0 63.6 -0.6 45.2 340 572 A K H X S+ 0 0 72 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.907 107.8 54.4 -64.8 -43.9 63.7 -3.6 42.8 341 573 A E H X S+ 0 0 140 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.849 112.6 45.9 -57.7 -33.7 66.8 -5.1 44.3 342 574 A L H X S+ 0 0 22 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.921 111.3 49.0 -77.2 -47.4 65.0 -5.0 47.7 343 575 A L H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -2,-0.2 0.847 117.1 44.3 -57.8 -37.1 61.7 -6.4 46.5 344 576 A W H >< S+ 0 0 41 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.905 110.8 51.5 -78.7 -42.8 63.6 -9.2 44.8 345 577 A H H 3< S+ 0 0 133 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.905 121.3 35.7 -59.5 -41.0 65.9 -9.9 47.6 346 578 A F T >X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 3,-0.5 -0.254 78.5 136.4-104.2 43.0 62.9 -10.2 49.9 347 579 A R H <> + 0 0 41 -3,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.847 67.0 56.2 -62.1 -35.5 60.6 -11.8 47.4 348 580 A Y H 34 S+ 0 0 60 -3,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.832 110.7 44.5 -68.9 -30.2 59.2 -14.4 49.8 349 581 A E H X4 S+ 0 0 34 -3,-0.5 3,-1.8 1,-0.2 -2,-0.2 0.911 110.2 55.5 -73.9 -43.8 58.1 -11.6 52.3 350 582 A S H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 6,-0.4 0.776 97.7 65.3 -57.0 -28.6 56.7 -9.6 49.4 351 583 A L T 3< S+ 0 0 14 -4,-1.4 -1,-0.3 1,-0.3 34,-0.2 0.635 86.9 68.4 -74.1 -15.0 54.5 -12.5 48.4 352 584 A K T < S+ 0 0 97 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.447 94.0 68.0 -81.8 -0.1 52.6 -12.3 51.6 353 585 A H X - 0 0 63 -3,-1.4 3,-2.3 1,-0.1 4,-0.5 -0.894 65.8-163.9-125.8 99.1 51.2 -9.0 50.3 354 586 A P G > S+ 0 0 30 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.805 92.2 60.4 -46.4 -32.4 48.9 -9.3 47.3 355 587 A K G 3 S+ 0 0 132 1,-0.2 4,-0.4 2,-0.1 -4,-0.1 0.674 94.7 60.2 -76.9 -16.9 49.4 -5.6 46.7 356 588 A A G <> S+ 0 0 0 -3,-2.3 4,-2.9 -6,-0.4 -1,-0.2 0.585 82.3 91.8 -80.9 -10.4 53.2 -5.9 46.2 357 589 A Y H <> S+ 0 0 1 -3,-1.0 4,-2.5 -4,-0.5 5,-0.3 0.890 81.2 47.8 -57.6 -51.9 52.6 -8.2 43.2 358 590 A P H > S+ 0 0 7 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.907 119.4 42.2 -54.9 -41.9 52.6 -5.7 40.4 359 591 A K H 4 S+ 0 0 16 -4,-0.4 -2,-0.2 2,-0.2 -3,-0.1 0.830 112.2 53.7 -75.5 -34.4 55.8 -4.1 41.8 360 592 A L H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.905 109.9 46.1 -67.3 -42.3 57.5 -7.4 42.6 361 593 A F H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.665 107.5 58.5 -79.4 -13.1 57.1 -8.8 39.1 362 594 A S T 3< S+ 0 0 29 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.455 99.4 61.2 -82.5 -4.5 58.3 -5.5 37.8 363 595 A S T < S+ 0 0 10 -3,-1.3 2,-0.4 -23,-0.1 -1,-0.2 0.205 84.0 108.1-104.5 12.5 61.4 -6.3 39.8 364 596 A V < - 0 0 3 -3,-0.6 2,-1.4 1,-0.0 3,-0.1 -0.758 69.1-135.7 -96.1 135.2 62.1 -9.4 37.8 365 597 A K > + 0 0 129 -2,-0.4 3,-1.8 1,-0.2 7,-0.4 -0.694 25.8 178.1 -85.8 85.4 65.0 -9.7 35.4 366 598 A W T 3 S+ 0 0 11 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.695 72.4 72.1 -63.3 -17.6 63.1 -11.4 32.6 367 599 A G T 3 S+ 0 0 18 -3,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.431 87.0 73.3 -78.3 0.7 66.3 -11.3 30.5 368 600 A Q X> - 0 0 85 -3,-1.8 4,-2.6 1,-0.1 3,-0.7 -0.943 68.4-154.0-122.0 112.4 67.9 -14.0 32.7 369 601 A Q H 3> S+ 0 0 39 -2,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.769 97.6 53.4 -54.6 -28.4 66.6 -17.6 32.3 370 602 A E H 3> S+ 0 0 134 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.863 110.6 45.1 -76.1 -37.2 67.7 -18.3 35.9 371 603 A I H <> S+ 0 0 18 -3,-0.7 4,-2.3 -6,-0.2 -2,-0.2 0.944 111.0 52.7 -68.5 -49.9 65.8 -15.4 37.4 372 604 A V H X S+ 0 0 11 -4,-2.6 4,-1.8 -7,-0.4 -2,-0.2 0.875 108.9 52.9 -51.4 -38.5 62.7 -16.2 35.4 373 605 A A H X S+ 0 0 19 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.2 0.922 106.7 49.1 -67.0 -45.6 62.9 -19.7 36.7 374 606 A K H X S+ 0 0 81 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.883 107.7 57.8 -59.7 -37.4 63.1 -18.6 40.4 375 607 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.5 0.908 103.4 50.8 -60.4 -44.1 60.1 -16.4 39.6 376 608 A Y H X S+ 0 0 40 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.855 105.6 57.2 -62.3 -32.7 58.1 -19.4 38.5 377 609 A Q H < S+ 0 0 117 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.813 106.1 51.4 -66.0 -29.5 59.1 -21.1 41.8 378 610 A L H >< S+ 0 0 0 -4,-1.3 3,-2.2 -3,-0.5 -2,-0.2 0.967 105.3 52.0 -67.5 -56.5 57.5 -18.1 43.6 379 611 A L H 3< S+ 0 0 7 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.631 100.9 66.2 -56.9 -14.1 54.2 -18.3 41.7 380 612 A A T 3< S+ 0 0 80 -4,-0.7 2,-0.6 1,-0.3 -1,-0.3 0.746 93.2 58.0 -81.5 -26.2 54.1 -22.0 42.8 381 613 A R S < S+ 0 0 148 -3,-2.2 2,-1.4 -4,-0.5 3,-0.4 -0.398 75.8 149.7 -92.9 53.3 53.8 -21.0 46.4 382 614 A R + 0 0 74 -2,-0.6 4,-0.1 -3,-0.5 -3,-0.1 -0.612 20.1 113.5 -94.5 78.2 50.6 -19.1 45.5 383 615 A E S > S+ 0 0 135 -2,-1.4 4,-1.5 2,-0.1 -1,-0.2 0.754 72.1 48.1-117.4 -42.7 48.5 -19.3 48.6 384 616 A V H > S+ 0 0 62 -3,-0.4 4,-0.7 2,-0.2 -2,-0.1 0.934 118.7 45.4 -60.9 -45.0 48.2 -15.8 50.0 385 617 A W H >4 S+ 0 0 2 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.943 111.9 49.4 -62.2 -52.1 47.3 -14.7 46.5 386 618 A D H 34 S+ 0 0 66 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.2 0.782 116.6 42.7 -61.7 -28.5 44.8 -17.5 45.8 387 619 A Q H 3< S+ 0 0 160 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.516 91.5 113.0 -95.4 -6.8 43.1 -16.9 49.1 388 620 A S S << S- 0 0 24 -3,-1.0 2,-0.3 -4,-0.7 3,-0.1 -0.322 78.1-102.2 -69.3 146.8 43.1 -13.1 48.8 389 621 A A - 0 0 93 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.543 52.6 -91.1 -69.8 129.2 39.8 -11.2 48.4 390 622 A L - 0 0 56 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.122 42.8-172.1 -46.5 122.9 39.4 -10.2 44.7 391 623 A D > - 0 0 66 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.925 6.3-167.2-121.0 103.7 40.9 -6.7 44.0 392 624 A V H > S+ 0 0 18 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.873 86.2 51.3 -61.7 -43.0 40.0 -5.5 40.5 393 625 A G H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.933 113.2 46.6 -59.0 -45.8 42.4 -2.6 40.4 394 626 A L H > S+ 0 0 10 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.906 112.2 50.2 -62.3 -43.5 45.2 -4.9 41.4 395 627 A T H < S+ 0 0 1 -4,-2.5 3,-0.3 1,-0.2 4,-0.2 0.842 108.3 54.0 -63.8 -35.1 44.2 -7.6 38.9 396 628 A M H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.835 99.5 60.9 -67.3 -35.8 44.1 -4.9 36.2 397 629 A Q H >< S+ 0 0 16 -4,-1.6 3,-0.7 1,-0.3 5,-0.2 0.821 101.2 54.3 -62.7 -29.7 47.6 -3.9 36.9 398 630 A L T 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.553 107.2 52.6 -80.8 -6.9 48.8 -7.4 36.1 399 631 A L T < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.2 38,-0.2 0.380 91.6 95.0-108.7 2.4 47.1 -7.1 32.7 400 632 A D S X S- 0 0 10 -3,-0.7 3,-1.4 -4,-0.4 -3,-0.0 -0.025 95.4 -76.4 -86.4-167.1 48.6 -3.9 31.4 401 633 A C T 3 S+ 0 0 8 1,-0.3 -1,-0.1 -122,-0.1 -3,-0.1 0.618 118.1 70.4 -68.3 -15.2 51.5 -3.1 29.2 402 634 A N T 3 S+ 0 0 72 -5,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.390 90.6 65.4 -87.4 5.5 54.1 -3.8 31.9 403 635 A F < + 0 0 9 -3,-1.4 -206,-0.1 1,-0.1 -1,-0.1 -0.936 41.0 158.3-134.7 112.9 53.6 -7.6 32.0 404 636 A S + 0 0 20 -2,-0.4 2,-0.4 -208,-0.1 -1,-0.1 0.488 46.9 106.7-106.7 -8.6 54.4 -9.9 29.1 405 637 A D > - 0 0 4 1,-0.1 4,-2.3 -209,-0.1 5,-0.2 -0.597 60.6-149.3 -79.5 131.7 54.7 -13.1 31.1 406 638 A E H > S+ 0 0 51 -2,-0.4 4,-1.0 -174,-0.2 38,-0.1 0.718 94.3 52.0 -76.6 -21.8 51.8 -15.5 30.6 407 639 A N H > S+ 0 0 77 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.935 111.5 46.1 -77.9 -48.1 52.0 -17.0 34.1 408 640 A V H >> S+ 0 0 0 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.977 117.3 43.8 -51.3 -60.2 52.0 -13.6 35.8 409 641 A R H >X S+ 0 0 3 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.789 108.2 61.6 -57.2 -30.2 49.1 -12.4 33.7 410 642 A A H 3X S+ 0 0 36 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.803 97.2 55.6 -70.4 -30.4 47.4 -15.8 34.1 411 643 A I H < S+ 0 0 65 -4,-1.7 3,-0.7 1,-0.3 4,-0.3 0.907 103.5 48.7 -58.1 -42.6 42.3 -16.5 37.6 415 647 A K H >< S+ 0 0 20 -4,-0.9 3,-0.8 -3,-0.5 -1,-0.3 0.743 103.2 63.3 -67.2 -24.0 41.2 -13.8 40.1 416 648 A L H >< S+ 0 0 0 -4,-1.1 3,-2.1 -3,-0.4 -1,-0.2 0.752 82.8 77.6 -75.0 -23.3 38.7 -12.5 37.6 417 649 A E T << S+ 0 0 105 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.775 85.2 62.5 -57.5 -25.9 36.7 -15.8 37.6 418 650 A S T < S+ 0 0 83 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.598 79.1 112.4 -79.3 -9.4 35.1 -14.9 40.9 419 651 A L < - 0 0 7 -3,-2.1 2,-0.2 -4,-0.1 -3,-0.0 -0.381 67.3-130.9 -60.1 136.1 33.5 -11.8 39.3 420 652 A E >> - 0 0 51 1,-0.1 3,-2.2 -2,-0.1 4,-1.9 -0.610 29.5-102.4 -85.6 153.7 29.7 -12.0 39.0 421 653 A D H 3> S+ 0 0 50 1,-0.3 4,-2.1 -2,-0.2 5,-0.2 0.822 122.6 59.0 -43.8 -38.9 28.1 -11.2 35.6 422 654 A D H 3> S+ 0 0 7 -363,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.831 108.7 43.6 -64.1 -32.4 27.1 -7.8 36.9 423 655 A D H <> S+ 0 0 39 -3,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.835 107.6 57.2 -82.8 -34.5 30.7 -6.9 37.7 424 656 A V H >X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-0.9 0.923 104.1 55.2 -58.5 -43.9 32.1 -8.3 34.4 425 657 A L H 3< S+ 0 0 23 -4,-2.1 4,-0.4 1,-0.3 3,-0.4 0.864 103.5 56.3 -56.0 -36.6 29.7 -5.9 32.6 426 658 A H H 3< S+ 0 0 35 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.822 121.4 26.1 -64.6 -31.0 31.3 -3.1 34.6 427 659 A Y H S+ 0 0 5 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.877 114.2 43.1 -50.3 -47.2 35.2 -2.7 27.8 430 662 A Q H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.794 112.8 53.6 -75.6 -27.1 38.6 -2.3 29.5 431 663 A L H X S+ 0 0 0 -4,-2.0 4,-0.5 -3,-0.3 -2,-0.2 0.902 108.1 49.5 -69.4 -43.2 39.1 -6.0 29.6 432 664 A V H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 4,-0.3 0.911 111.7 50.0 -60.4 -42.0 38.5 -6.3 25.9 433 665 A Q H >< S+ 0 0 8 -4,-2.0 3,-1.8 -5,-0.3 -1,-0.2 0.848 100.6 64.0 -62.1 -34.7 41.0 -3.4 25.5 434 666 A A H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.625 82.1 78.7 -70.9 -11.8 43.5 -5.3 27.7 435 667 A V G X< S+ 0 0 0 -3,-1.0 3,-1.6 -4,-0.5 -1,-0.3 0.806 81.3 68.6 -62.8 -28.6 43.7 -8.0 25.1 436 668 A K G < S+ 0 0 3 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.738 93.9 56.1 -60.5 -23.2 46.0 -5.6 23.2 437 669 A F G < S+ 0 0 11 -3,-1.4 -1,-0.3 -38,-0.2 -2,-0.2 0.465 83.2 107.7 -90.5 -2.6 48.6 -6.1 25.9 438 670 A E < - 0 0 11 -3,-1.6 -34,-0.1 -4,-0.2 -33,-0.0 -0.617 63.3-149.1 -74.5 130.7 48.6 -9.9 25.4 439 671 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.938 81.2 41.4 -62.7 -47.6 51.8 -11.2 23.6 440 672 A Y S S- 0 0 6 1,-0.1 3,-0.1 2,-0.1 -183,-0.0 -0.751 79.0-127.0-108.5 151.5 49.9 -14.0 22.0 441 673 A H S S+ 0 0 17 -2,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.899 102.8 57.1 -59.1 -48.9 46.5 -14.3 20.3 442 674 A D S S+ 0 0 34 4,-0.1 2,-0.3 -413,-0.1 -1,-0.2 -0.720 77.9 153.3 -88.4 90.5 45.4 -17.3 22.4 443 675 A S > - 0 0 3 -2,-1.2 4,-2.2 1,-0.1 5,-0.2 -0.759 58.3-113.0-113.2 164.2 45.7 -16.0 26.0 444 676 A A H > S+ 0 0 45 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.853 118.5 56.5 -61.7 -37.3 43.9 -16.8 29.2 445 677 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 106.7 49.0 -58.8 -47.4 42.3 -13.4 29.2 446 678 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.933 111.2 49.0 -59.3 -47.3 40.9 -14.0 25.7 447 679 A R H X S+ 0 0 80 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.847 109.3 54.2 -60.3 -34.4 39.4 -17.4 26.8 448 680 A F H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.942 108.4 47.1 -67.4 -47.6 38.0 -15.7 29.8 449 681 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.940 113.4 49.9 -55.7 -50.8 36.1 -13.1 27.8 450 682 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.897 111.0 48.4 -54.9 -46.1 34.9 -15.8 25.4 451 683 A K H X S+ 0 0 67 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.879 112.3 47.9 -66.6 -37.6 33.6 -18.0 28.3 452 684 A R H X S+ 0 0 10 -4,-2.2 4,-0.8 1,-0.2 8,-0.3 0.746 110.3 52.1 -78.6 -22.6 31.8 -15.2 30.1 453 685 A G H < S+ 0 0 0 -4,-1.7 7,-0.5 -5,-0.2 -1,-0.2 0.825 111.3 47.0 -77.4 -33.4 30.1 -14.0 26.9 454 686 A L H < S+ 0 0 0 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.725 109.9 54.5 -78.0 -24.3 28.8 -17.5 26.1 455 687 A R H < S+ 0 0 103 -4,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.760 116.8 31.7 -82.3 -26.5 27.6 -17.9 29.6 456 688 A N X - 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0 0 4 -2,-2.2 2,-0.3 2,-0.0 129,-0.1 -0.835 50.6-114.8-112.5 152.0 33.9 22.5 29.1 707 948 A H > - 0 0 34 -2,-0.3 3,-2.9 1,-0.1 -55,-0.1 -0.653 34.2-117.5 -77.4 141.7 32.0 25.1 27.2 708 949 A N G > S+ 0 0 1 1,-0.3 -56,-1.0 -2,-0.3 3,-0.9 0.518 110.1 76.3 -66.9 -4.1 28.3 25.1 28.3 709 950 A D G 3 S+ 0 0 82 1,-0.2 -1,-0.3 -58,-0.2 -56,-0.1 0.756 96.6 51.0 -67.4 -24.6 27.3 24.0 24.8 710 951 A N G < S+ 0 0 24 -3,-2.9 12,-2.1 -60,-0.1 2,-0.4 0.261 96.9 81.5 -98.4 9.6 28.5 20.6 25.9 711 952 A I E < - X 0 721H 0 -3,-0.9 -60,-3.0 10,-0.2 -59,-0.4 -0.966 60.3-172.6-119.3 132.8 26.6 20.5 29.2 712 953 A M E -WX 650 720H 31 8,-2.7 8,-2.3 -2,-0.4 2,-0.3 -0.681 10.5-156.6-120.8 172.3 22.9 19.5 29.3 713 954 A I E -WX 649 719H 0 -64,-2.1 -64,-2.1 6,-0.2 6,-0.2 -0.985 13.2-134.5-151.1 138.8 20.0 19.3 31.8 714 955 A T E > -W 648 0H 10 4,-2.2 3,-2.0 -2,-0.3 -66,-0.2 -0.515 33.0-109.8 -86.4 160.1 16.8 17.3 32.0 715 956 A E T 3 S+ 0 0 61 -68,-1.6 -1,-0.1 1,-0.3 -67,-0.1 0.779 120.4 59.5 -60.0 -26.8 13.5 18.9 32.9 716 957 A T T 3 S- 0 0 95 -69,-0.2 -1,-0.3 2,-0.1 -30,-0.2 0.191 127.7 -99.9 -88.4 16.2 13.7 17.1 36.3 717 958 A G S < S+ 0 0 0 -3,-2.0 2,-0.7 1,-0.2 -2,-0.1 0.494 70.5 151.0 85.9 5.8 16.9 19.0 36.9 718 959 A N - 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0 0 6 -5,-0.3 2,-0.4 -8,-0.2 -1,-0.2 -0.983 38.7-164.5-161.3 147.9 24.0 32.2 46.1 747 998 A S - 0 0 68 -2,-0.3 4,-0.1 4,-0.1 -84,-0.0 -0.962 57.7 -54.2-142.0 120.5 25.7 35.2 44.6 748 999 A G S S+ 0 0 59 -2,-0.4 2,-1.8 1,-0.1 -1,-0.0 -0.231 126.0 16.4 53.1-131.0 29.4 36.1 44.8 749 1000 A K S S+ 0 0 215 -3,-0.1 2,-0.2 76,-0.0 -1,-0.1 -0.539 110.3 92.2 -73.8 86.1 30.7 36.1 48.4 750 1001 A K - 0 0 107 -2,-1.8 2,-0.3 2,-0.0 -4,-0.1 -0.765 53.8-144.9-153.2-164.1 27.8 34.2 49.9 751 1002 A T - 0 0 65 -2,-0.2 -4,-0.1 -6,-0.2 3,-0.0 -0.960 10.5-174.0-169.7 164.4 26.4 30.8 51.0 752 1003 A S > - 0 0 12 -2,-0.3 4,-2.5 -6,-0.1 5,-0.4 -0.985 45.7 -89.4-165.4 161.4 23.1 28.9 51.2 753 1004 A P H > S+ 0 0 100 0, 0.0 4,-0.8 0, 0.0 -8,-0.1 0.780 127.0 41.4 -47.9 -34.4 21.5 25.6 52.4 754 1005 A H H > S+ 0 0 44 -10,-0.7 4,-4.0 2,-0.2 5,-0.3 0.925 109.9 54.2 -81.1 -48.6 22.3 24.0 49.0 755 1006 A F H > S+ 0 0 5 -11,-0.7 4,-2.5 1,-0.3 5,-0.1 0.879 111.2 47.4 -53.0 -41.8 25.8 25.4 48.4 756 1007 A Q H X S+ 0 0 104 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.853 114.4 48.3 -66.1 -35.6 26.8 24.0 51.8 757 1008 A K H >X S+ 0 0 68 -4,-0.8 4,-2.6 -5,-0.4 3,-0.5 0.971 110.8 49.4 -65.7 -55.3 25.1 20.7 50.8 758 1009 A F H 3X S+ 0 0 0 -4,-4.0 4,-2.3 1,-0.3 -2,-0.2 0.886 109.5 52.2 -50.5 -46.1 26.8 20.7 47.4 759 1010 A Q H 3X S+ 0 0 43 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.3 0.864 110.9 49.2 -60.0 -35.8 30.2 21.3 49.1 760 1011 A D H < S+ 0 0 1 -4,-1.7 3,-1.7 -5,-0.2 4,-0.3 0.981 107.5 45.1 -55.4 -59.4 35.1 8.2 48.2 769 1020 A L H >< S+ 0 0 0 -4,-2.4 3,-3.0 1,-0.3 7,-0.2 0.875 105.1 62.3 -52.6 -41.8 36.9 7.9 44.8 770 1021 A R H >< S+ 0 0 29 -4,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.757 90.9 67.1 -60.9 -22.2 40.3 8.4 46.6 771 1022 A H T << S+ 0 0 98 -3,-1.7 -1,-0.3 -4,-0.9 -2,-0.2 0.626 107.6 41.6 -69.4 -9.7 39.5 5.2 48.4 772 1023 A H T <> S+ 0 0 54 -3,-3.0 4,-2.3 -4,-0.3 5,-0.3 -0.026 74.2 135.6-127.0 28.4 39.9 3.7 45.0 773 1024 A T H <> S+ 0 0 20 -3,-1.4 4,-2.9 1,-0.2 5,-0.2 0.889 73.7 47.2 -38.0 -58.4 42.9 5.6 43.8 774 1025 A N H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.904 109.8 50.9 -59.9 -47.5 44.7 2.6 42.3 775 1026 A L H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 116.0 43.3 -55.2 -46.1 41.8 1.2 40.5 776 1027 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 -7,-0.2 5,-0.2 0.880 111.5 53.4 -68.9 -40.5 41.1 4.6 38.9 777 1028 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 -2,-0.2 0.933 112.7 44.2 -61.7 -44.7 44.8 5.2 38.1 778 1029 A I H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.899 114.2 49.2 -66.8 -40.3 45.1 1.9 36.3 779 1030 A L H X S+ 0 0 1 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.867 114.6 45.9 -65.7 -36.7 41.8 2.4 34.4 780 1031 A F H X S+ 0 0 12 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.946 111.3 51.1 -70.1 -51.2 42.9 5.9 33.4 781 1032 A S H X S+ 0 0 10 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.909 114.2 44.9 -51.2 -43.8 46.4 4.7 32.4 782 1033 A M H X S+ 0 0 3 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.840 107.3 58.1 -74.7 -31.8 44.9 2.0 30.2 783 1034 A M H X S+ 0 0 3 -4,-1.7 4,-0.9 1,-0.2 5,-0.4 0.871 108.5 46.8 -63.1 -38.3 42.2 4.3 28.7 784 1035 A L H X S+ 0 0 7 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.799 113.0 48.5 -74.8 -29.4 45.0 6.5 27.4 785 1036 A M H < S+ 0 0 6 -4,-1.2 -504,-2.4 -5,-0.2 -503,-0.2 0.625 121.0 32.1 -88.0 -14.0 47.1 3.7 26.0 786 1037 A T H < S+ 0 0 6 -4,-1.2 -2,-0.2 -506,-0.1 -1,-0.2 0.428 132.4 24.2-120.4 -2.4 44.3 1.9 24.1 787 1038 A G H < S+ 0 0 4 -4,-0.9 -3,-0.2 -5,-0.2 -184,-0.2 0.519 113.8 55.4-139.8 -18.1 42.0 4.7 23.1 788 1039 A M >< + 0 0 0 -4,-0.6 3,-0.7 -5,-0.4 -1,-0.1 -0.635 48.3 171.0-124.1 74.2 44.0 8.0 22.9 789 1040 A P T 3 S+ 0 0 57 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.707 86.9 51.0 -52.2 -18.9 47.0 7.4 20.5 790 1041 A Q T 3 S+ 0 0 147 1,-0.2 2,-0.6 -62,-0.1 -2,-0.1 0.809 105.6 52.2 -88.6 -36.0 47.4 11.2 20.9 791 1042 A L S < S+ 0 0 43 -3,-0.7 -1,-0.2 -7,-0.2 -3,-0.1 -0.416 72.8 118.0-101.1 56.4 47.3 11.4 24.7 792 1043 A T + 0 0 5 -2,-0.6 -513,-2.2 -3,-0.3 2,-0.3 -0.321 38.2 123.2-118.5 48.8 50.0 8.8 25.5 793 1044 A S >> - 0 0 40 -515,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.767 68.8-118.8-108.8 157.1 52.7 10.8 27.3 794 1045 A K H 3> S+ 0 0 112 -2,-0.3 4,-1.6 1,-0.3 -1,-0.1 0.894 116.9 48.2 -56.8 -44.0 54.2 10.3 30.7 795 1046 A E H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.693 107.8 58.5 -73.5 -19.2 53.0 13.6 32.0 796 1047 A D H X4 S+ 0 0 54 -3,-0.5 3,-1.6 2,-0.1 4,-0.3 0.973 107.0 43.6 -69.2 -57.2 49.5 12.8 30.6 797 1048 A I H >< S+ 0 0 10 -4,-2.0 3,-1.1 1,-0.3 4,-0.3 0.863 108.4 59.8 -57.2 -40.1 49.0 9.7 32.6 798 1049 A E T 3X S+ 0 0 52 -4,-1.6 4,-0.7 1,-0.2 -1,-0.3 0.183 79.3 89.1 -82.7 18.9 50.3 11.3 35.8 799 1050 A Y H <> S+ 0 0 85 -3,-1.6 4,-2.1 2,-0.2 3,-0.3 0.851 83.6 55.4 -74.6 -37.3 47.7 14.0 35.8 800 1051 A I H <> S+ 0 0 1 -3,-1.1 4,-1.4 -4,-0.3 -2,-0.2 0.773 97.4 62.0 -72.9 -27.3 45.3 11.8 37.8 801 1052 A R H 4>S+ 0 0 48 -4,-0.3 5,-2.1 2,-0.2 -1,-0.2 0.914 109.8 42.7 -59.1 -43.4 47.8 11.3 40.6 802 1053 A D H ><5S+ 0 0 110 -4,-0.7 3,-2.1 -3,-0.3 -2,-0.2 0.928 111.7 52.4 -68.8 -47.0 47.7 15.0 41.2 803 1054 A A H 3<5S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.723 112.3 47.2 -64.3 -22.3 43.9 15.3 40.8 804 1055 A L T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.162 106.2-131.1-103.2 15.5 43.6 12.5 43.4 805 1056 A T T X 5 - 0 0 15 -3,-2.1 3,-1.4 1,-0.1 -3,-0.2 0.844 28.9-150.2 34.5 57.6 46.1 14.2 45.7 806 1057 A V T 3 - 0 0 90 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.404 36.6 -94.5 -83.3 168.9 45.5 12.7 54.2 810 1061 A E H > S+ 0 0 93 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.603 122.0 55.8 -66.7 -9.9 41.7 13.3 54.1 811 1062 A E H > S+ 0 0 94 2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.932 109.7 41.2 -84.1 -53.5 42.1 16.8 55.5 812 1063 A D H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.925 117.8 50.7 -56.5 -45.8 44.5 18.2 52.9 813 1064 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 3,-0.2 0.942 110.3 48.1 -56.6 -53.1 42.5 16.4 50.2 814 1065 A K H X S+ 0 0 87 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.912 114.6 45.6 -53.3 -46.1 39.2 17.9 51.5 815 1066 A K H X S+ 0 0 107 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.728 108.8 58.5 -75.7 -20.8 40.7 21.4 51.6 816 1067 A Y H X S+ 0 0 76 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.946 106.8 45.4 -68.6 -50.6 42.2 20.9 48.2 817 1068 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.876 110.1 54.6 -63.4 -38.0 38.9 20.2 46.5 818 1069 A L H X S+ 0 0 39 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.914 103.8 54.7 -62.5 -43.7 37.2 23.1 48.3 819 1070 A D H X S+ 0 0 102 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.900 108.3 51.4 -53.8 -42.0 39.9 25.5 47.0 820 1071 A Q H X S+ 0 0 29 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.976 104.9 53.3 -57.3 -57.9 39.0 24.2 43.5 821 1072 A I H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.811 110.3 51.1 -49.4 -31.6 35.3 24.9 44.0 822 1073 A E H >X S+ 0 0 64 -4,-1.8 4,-2.7 2,-0.2 3,-1.1 0.927 99.5 61.0 -72.4 -46.2 36.4 28.4 44.9 823 1074 A V H 3X S+ 0 0 51 -4,-2.3 4,-0.7 1,-0.3 -2,-0.2 0.851 103.5 53.7 -47.2 -37.3 38.5 28.8 41.8 824 1075 A C H 3< S+ 0 0 3 -4,-1.6 4,-0.3 2,-0.2 -1,-0.3 0.836 111.9 43.0 -68.9 -34.6 35.3 28.3 39.8 825 1076 A R H X< S+ 0 0 35 -3,-1.1 3,-1.5 -4,-0.8 -2,-0.2 0.931 109.4 54.4 -76.7 -48.6 33.5 31.1 41.7 826 1077 A D H 3< S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.670 113.3 46.6 -60.5 -16.0 36.3 33.6 41.7 827 1078 A K T >< S+ 0 0 78 -4,-0.7 3,-2.4 -5,-0.3 4,-0.4 0.491 82.0 170.9-107.4 -7.2 36.4 33.2 38.0 828 1079 A G T < S- 0 0 23 -3,-1.5 3,-0.4 -4,-0.3 4,-0.3 0.044 70.7 -14.6 38.5-124.2 32.6 33.5 37.2 829 1080 A W T 3> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.347 106.4 106.8 -89.5 4.1 31.8 33.7 33.5 830 1081 A T H <> S+ 0 0 75 -3,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.866 83.6 38.4 -55.8 -43.8 35.4 34.5 32.6 831 1082 A V H > S+ 0 0 14 -3,-0.4 4,-2.3 -4,-0.4 -1,-0.2 0.858 114.3 52.7 -79.1 -37.7 36.2 31.1 31.0 832 1083 A Q H > S+ 0 0 4 -4,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.867 108.4 54.3 -62.1 -36.2 32.8 30.6 29.4 833 1084 A F H >X S+ 0 0 101 -4,-2.5 4,-1.8 2,-0.2 3,-1.0 0.927 109.0 45.4 -64.6 -48.7 33.2 34.0 27.8 834 1085 A N H 3< S+ 0 0 96 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 106.0 61.8 -59.2 -42.6 36.6 33.1 26.3 835 1086 A W H 3< S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.700 106.4 47.1 -57.5 -20.4 35.2 29.8 25.1 836 1087 A F H << S+ 0 0 114 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.874 83.9 103.4 -88.2 -42.8 32.7 31.8 23.0 837 1088 A L < - 0 0 89 -4,-1.8 2,-1.0 1,-0.1 -3,-0.0 -0.175 64.2-149.2 -45.3 111.8 35.2 34.2 21.5 838 1089 A H 0 0 185 1,-0.1 -1,-0.1 0, 0.0 -3,-0.1 -0.768 360.0 360.0 -90.6 97.8 35.7 32.9 17.9 839 1090 A L 0 0 197 -2,-1.0 -1,-0.1 0, 0.0 -2,-0.0 -0.619 360.0 360.0 -87.9 360.0 39.3 33.9 17.0