==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-MAY-12 4FAD . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.E.GREASLEY,D.R.KNIGHTON,C.M.LAFLEUR ROGERS . 839 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 3 3 1 3 3 0 2 1 0 1 1 1 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 4 3 2 3 3 3 0 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 2 1 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 1 144 A S 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.0 36.6 -28.3 52.0 2 145 A E >> + 0 0 125 3,-0.0 3,-1.9 5,-0.0 4,-0.7 0.375 360.0 60.4-140.3 -37.6 38.4 -25.3 53.6 3 146 A E T 34 S+ 0 0 138 1,-0.3 4,-0.0 2,-0.2 0, 0.0 0.274 109.5 50.7 -76.8 10.9 41.2 -24.7 51.0 4 147 A S T 34 S+ 0 0 26 2,-0.1 -1,-0.3 3,-0.1 162,-0.0 0.139 106.4 53.4-125.1 -0.0 38.0 -24.1 48.9 5 148 A Q T <> S+ 0 0 116 -3,-1.9 4,-0.5 2,-0.1 -2,-0.2 0.379 107.1 50.0-117.8 -4.3 36.6 -21.7 51.5 6 149 A A H X S+ 0 0 22 -4,-0.7 4,-2.0 2,-0.2 -3,-0.1 0.771 107.8 54.0 -94.6 -42.0 39.7 -19.5 51.6 7 150 A F H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.780 108.3 52.3 -60.6 -33.1 39.6 -19.3 47.7 8 151 A Q H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 106.5 49.9 -72.3 -44.9 36.0 -18.1 48.2 9 152 A R H X S+ 0 0 176 -4,-0.5 4,-0.8 1,-0.2 -2,-0.2 0.864 113.4 49.8 -61.5 -38.0 36.9 -15.2 50.6 10 153 A Q H >X S+ 0 0 79 -4,-2.0 4,-1.2 2,-0.2 3,-1.0 0.939 107.1 50.3 -64.6 -57.1 39.6 -14.2 48.1 11 154 A L H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 3,-1.0 0.912 107.1 56.9 -48.4 -49.7 37.4 -14.1 44.9 12 155 A T H 3X>S+ 0 0 32 -4,-1.8 4,-1.7 1,-0.3 5,-0.6 0.768 105.3 51.5 -50.8 -37.0 34.9 -11.9 46.9 13 156 A A H <<5S+ 0 0 63 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.787 113.6 43.3 -74.6 -29.7 37.7 -9.3 47.5 14 157 A L H <<5S+ 0 0 6 -4,-1.2 -2,-0.2 -3,-1.0 -1,-0.2 0.819 114.5 49.6 -81.3 -37.4 38.6 -9.2 43.7 15 158 A I H <5S- 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.866 97.7-140.2 -67.5 -37.7 34.9 -9.1 42.7 16 159 A G T <5S+ 0 0 52 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.2 0.527 78.7 78.0 81.0 9.9 34.3 -6.2 45.2 17 160 A Y S S+ 0 0 63 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.019 82.1 111.6 -89.4 29.5 17.7 -19.3 43.2 29 172 A E H > S+ 0 0 6 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.942 80.7 40.5 -70.7 -48.2 18.4 -17.5 39.9 30 173 A L H > S+ 0 0 19 -3,-0.4 4,-2.0 2,-0.2 -1,-0.1 0.955 119.6 45.8 -64.9 -46.9 21.8 -16.2 40.6 31 174 A E H > S+ 0 0 52 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.878 114.5 50.5 -57.7 -43.1 22.8 -19.4 42.5 32 175 A F H X S+ 0 0 70 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.855 108.4 51.3 -61.4 -42.4 21.3 -21.3 39.5 33 176 A T H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.830 107.4 53.9 -66.3 -34.4 23.4 -19.1 37.0 34 177 A R H < S+ 0 0 42 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.923 112.0 44.2 -64.2 -45.8 26.6 -19.9 39.0 35 178 A R H >< S+ 0 0 156 -4,-1.8 3,-0.9 1,-0.2 4,-0.5 0.877 113.0 51.8 -63.3 -43.9 25.8 -23.7 38.6 36 179 A G H 3< S+ 0 0 19 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.808 105.9 55.7 -62.3 -35.9 24.9 -23.2 34.9 37 180 A L T 3X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.523 84.4 82.4 -76.5 -12.6 28.2 -21.4 34.3 38 181 A V H <> S+ 0 0 42 -3,-0.9 4,-2.7 -4,-0.4 -1,-0.2 0.938 93.5 47.4 -59.2 -47.0 30.4 -24.3 35.6 39 182 A T H > S+ 0 0 97 -4,-0.5 4,-2.9 -3,-0.4 5,-0.2 0.932 112.4 45.0 -62.6 -56.8 30.2 -26.2 32.2 40 183 A P H > S+ 0 0 14 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.891 116.4 49.7 -57.6 -37.4 31.0 -23.2 29.8 41 184 A R H X S+ 0 0 15 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.952 115.4 41.7 -60.7 -53.0 33.9 -22.3 32.1 42 185 A M H X S+ 0 0 81 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.851 111.3 55.3 -65.6 -39.9 35.3 -25.8 32.2 43 186 A A H < S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.892 111.8 43.1 -60.9 -43.2 34.8 -26.5 28.5 44 187 A E H >X S+ 0 0 19 -4,-1.7 4,-0.7 -5,-0.2 3,-0.6 0.849 114.4 50.8 -71.6 -36.6 36.9 -23.4 27.4 45 188 A V H >< S+ 0 0 33 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.957 112.6 46.7 -62.4 -50.5 39.5 -24.2 30.1 46 189 A A T 3< S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.427 115.5 47.9 -72.5 -0.9 39.8 -27.8 28.8 47 190 A S T <4 S+ 0 0 95 -3,-0.6 2,-0.5 -4,-0.2 -1,-0.2 0.443 83.7 101.8-120.9 -2.4 40.0 -26.6 25.2 48 191 A R S << S- 0 0 23 -3,-1.0 409,-0.0 -4,-0.7 5,-0.0 -0.782 79.5-115.2 -92.2 122.5 42.6 -23.7 25.3 49 192 A D > - 0 0 95 -2,-0.5 4,-2.3 1,-0.1 5,-0.3 -0.376 27.3-139.7 -52.6 107.2 46.2 -24.6 24.0 50 193 A P H > S+ 0 0 80 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.804 96.4 41.0 -42.7 -45.6 48.2 -24.2 27.2 51 194 A K H >> S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 3,-1.1 0.961 115.0 48.5 -67.7 -58.1 51.2 -22.5 25.6 52 195 A L H 3> S+ 0 0 70 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.773 113.7 49.3 -54.8 -32.4 49.3 -20.2 23.1 53 196 A Y H 3< S+ 0 0 8 -4,-2.3 405,-0.3 2,-0.2 -1,-0.3 0.708 108.4 53.2 -78.7 -25.6 47.1 -19.1 26.1 54 197 A A H << S+ 0 0 8 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.806 118.9 35.3 -77.5 -31.4 50.2 -18.4 28.3 55 198 A M H < S- 0 0 8 -4,-1.7 69,-0.6 100,-0.1 -2,-0.2 0.549 85.8-160.2 -98.9 -12.8 51.7 -16.2 25.6 56 199 A H < - 0 0 29 -4,-1.0 -3,-0.1 -5,-0.2 -4,-0.1 0.809 15.4-148.6 33.3 57.0 48.4 -14.6 24.3 57 200 A P - 0 0 17 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.326 10.2-130.6 -54.2 136.8 49.9 -13.5 20.8 58 201 A W + 0 0 66 66,-0.5 77,-1.6 -3,-0.1 78,-0.3 -0.742 42.2 170.9 -94.6 87.2 48.1 -10.4 19.7 59 202 A V B -A 134 0A 30 -2,-1.2 364,-0.3 75,-0.2 2,-0.3 -0.802 22.3-169.9-108.0 143.5 47.2 -11.2 16.1 60 203 A T - 0 0 0 73,-1.6 362,-0.0 -2,-0.3 -2,-0.0 -0.850 11.4-161.9-117.5 152.7 45.0 -9.6 13.5 61 204 A S + 0 0 79 -2,-0.3 3,-0.1 2,-0.1 72,-0.1 0.179 52.9 118.1-123.8 17.7 43.9 -11.2 10.1 62 205 A K S S- 0 0 48 1,-0.1 -2,-0.1 71,-0.0 2,-0.0 -0.517 78.5 -90.8 -81.8 148.1 42.9 -7.9 8.4 63 206 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.378 49.3-101.2 -59.8 137.4 44.7 -6.9 5.2 64 207 A L - 0 0 8 1,-0.1 5,-0.1 -3,-0.1 69,-0.1 -0.423 49.6-110.9 -58.7 124.9 47.7 -4.6 6.0 65 208 A P >> - 0 0 5 0, 0.0 3,-1.0 0, 0.0 4,-0.7 -0.186 18.9-111.2 -59.1 159.1 46.4 -1.1 5.2 66 209 A E H >> S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 3,-1.8 0.918 114.9 59.2 -53.9 -50.3 47.8 1.0 2.3 67 210 A Y H 34 S+ 0 0 21 556,-0.4 -1,-0.2 1,-0.3 557,-0.0 0.670 104.5 49.4 -53.8 -28.5 49.5 3.5 4.6 68 211 A L H <4 S+ 0 0 7 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.567 109.4 52.3 -89.0 -12.5 51.7 0.8 6.2 69 212 A W H X< S+ 0 0 94 -3,-1.8 3,-2.5 -4,-0.7 -2,-0.2 0.878 105.1 52.6 -83.4 -45.8 52.8 -0.6 2.8 70 213 A K T 3< S+ 0 0 168 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.561 105.9 61.0 -62.4 -10.4 53.9 2.9 1.6 71 214 A K T 3 S+ 0 0 87 -5,-0.3 2,-0.6 1,-0.1 -1,-0.3 0.316 87.9 79.7 -98.5 1.4 55.8 2.6 5.0 72 215 A I < - 0 0 20 -3,-2.5 3,-0.4 1,-0.2 5,-0.1 -0.952 65.7-162.6-115.4 103.6 57.8 -0.5 3.8 73 216 A A S S- 0 0 97 -2,-0.6 -1,-0.2 3,-0.2 4,-0.1 0.904 80.1 -6.9 -52.4 -47.6 60.6 0.7 1.5 74 217 A N S S- 0 0 112 2,-0.4 -1,-0.2 0, 0.0 3,-0.1 -0.355 103.1 -78.7-156.8 67.1 61.3 -2.8 -0.1 75 218 A N S S+ 0 0 93 -3,-0.4 2,-0.4 -6,-0.2 -2,-0.0 0.858 99.7 121.3 40.0 41.1 59.3 -5.9 1.3 76 219 A C - 0 0 26 17,-0.1 2,-0.4 18,-0.1 -2,-0.4 -0.900 46.5-168.4-143.2 107.8 62.0 -5.7 4.0 77 220 A I E -B 92 0B 5 15,-4.4 15,-2.4 -2,-0.4 2,-0.9 -0.842 17.5-139.5 -98.3 127.3 61.1 -5.3 7.7 78 221 A F E -B 91 0B 104 -2,-0.4 2,-0.5 13,-0.2 69,-0.3 -0.794 22.7-179.2 -95.2 101.1 63.9 -4.5 10.1 79 222 A I E -B 90 0B 2 11,-1.3 11,-2.6 -2,-0.9 2,-0.8 -0.869 18.7-146.6 -97.1 129.1 63.5 -6.5 13.4 80 223 A V E -Bc 89 148B 12 67,-2.1 69,-2.2 -2,-0.5 2,-0.5 -0.880 13.6-159.8-100.5 101.8 66.2 -5.8 16.0 81 224 A I E -Bc 88 149B 4 7,-1.7 7,-2.1 -2,-0.8 2,-0.4 -0.789 9.1-171.2 -86.8 120.7 66.8 -9.1 17.9 82 225 A H E +Bc 87 150B 37 67,-3.2 69,-1.4 -2,-0.5 5,-0.2 -0.952 12.1 172.6-114.0 132.2 68.5 -8.6 21.4 83 226 A R - 0 0 132 3,-0.8 -1,-0.1 -2,-0.4 4,-0.0 0.676 68.4 -35.2 -99.1 -98.7 69.8 -11.4 23.5 84 227 A S S S- 0 0 98 66,-0.0 -2,-0.0 3,-0.0 0, 0.0 0.910 122.8 -32.5 -90.0 -78.9 71.8 -10.4 26.7 85 228 A T S S+ 0 0 128 2,-0.0 2,-0.1 -3,-0.0 -3,-0.0 0.329 119.6 97.8-122.3 -9.2 73.8 -7.3 25.8 86 229 A T - 0 0 95 2,-0.0 -3,-0.8 0, 0.0 2,-0.3 -0.301 55.0-163.2 -78.6 163.3 74.3 -8.3 22.2 87 230 A S E -B 82 0B 71 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.975 9.8-174.1-151.1 141.6 72.1 -7.0 19.3 88 231 A Q E -B 81 0B 78 -7,-2.1 -7,-1.7 -2,-0.3 2,-0.3 -0.795 14.2-150.9-146.6 101.3 71.5 -8.2 15.7 89 232 A T E -B 80 0B 74 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.538 24.7-168.7 -69.0 126.9 69.4 -6.3 13.1 90 233 A I E -B 79 0B 7 -11,-2.6 -11,-1.3 -2,-0.3 2,-0.5 -0.879 23.1-122.4-121.5 155.0 67.9 -8.7 10.7 91 234 A K E +B 78 0B 153 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.886 36.5 177.0 -97.9 119.1 66.0 -8.4 7.3 92 235 A V E -B 77 0B 0 -15,-2.4 -15,-4.4 -2,-0.5 9,-0.0 -0.902 20.8-134.0-124.9 149.4 62.5 -9.9 7.4 93 236 A S > - 0 0 44 -2,-0.3 3,-3.3 -17,-0.2 2,-0.6 -0.848 33.5-101.5-106.4 149.1 59.7 -10.0 4.8 94 237 A P T 3 S+ 0 0 0 0, 0.0 38,-0.5 0, 0.0 -18,-0.1 0.355 123.6 46.0 -49.2 6.8 56.0 -9.3 5.3 95 238 A D T 3 S+ 0 0 107 -2,-0.6 2,-1.2 36,-0.1 -3,-0.0 0.184 76.0 130.3-131.9 10.1 55.3 -13.1 5.3 96 239 A D < - 0 0 41 -3,-3.3 35,-0.8 34,-0.1 5,-0.1 -0.581 55.0-139.2 -73.9 96.2 58.1 -14.2 7.7 97 240 A T - 0 0 43 -2,-1.2 4,-0.5 33,-0.2 3,-0.3 -0.231 17.9-119.9 -52.2 136.4 56.4 -16.4 10.3 98 241 A P S > S+ 0 0 3 0, 0.0 3,-2.6 0, 0.0 4,-0.2 0.924 112.6 45.0 -47.8 -60.8 57.9 -15.7 13.8 99 242 A G G > S+ 0 0 43 28,-0.4 3,-1.5 1,-0.3 4,-0.5 0.790 107.5 61.0 -51.9 -34.6 59.2 -19.2 14.5 100 243 A A G 3 S+ 0 0 44 -3,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.541 89.1 70.8 -71.6 -8.7 60.6 -19.2 10.9 101 244 A I G < S+ 0 0 0 -3,-2.6 -1,-0.3 -4,-0.5 -2,-0.2 0.420 87.8 66.1 -85.5 -1.0 62.8 -16.2 12.0 102 245 A L S X> S+ 0 0 26 -3,-1.5 4,-3.7 2,-0.2 3,-1.5 0.879 99.9 47.0 -84.7 -37.7 64.8 -18.7 14.1 103 246 A Q T 34 S+ 0 0 126 -4,-0.5 -2,-0.2 1,-0.3 -1,-0.2 0.402 113.1 52.3 -78.7 2.1 66.0 -20.5 10.9 104 247 A S T 34 S+ 0 0 31 3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.232 119.3 33.9-113.9 -0.0 66.7 -16.8 9.8 105 248 A F T <4 S+ 0 0 27 -3,-1.5 -2,-0.2 3,-0.1 -3,-0.2 0.561 122.8 41.9-124.1 -34.8 68.7 -16.2 13.1 106 249 A F S < S+ 0 0 86 -4,-3.7 -3,-0.2 2,-0.2 -4,-0.1 0.666 125.7 38.3 -88.5 -20.6 70.3 -19.7 13.7 107 250 A T S S+ 0 0 118 -5,-0.4 -3,-0.2 1,-0.1 -4,-0.1 0.779 114.0 54.0 -94.3 -39.2 71.1 -20.0 10.0 108 251 A K S S+ 0 0 130 -6,-0.2 2,-0.3 1,-0.1 -2,-0.2 0.474 125.1 17.5 -74.0 -4.3 72.0 -16.2 9.6 109 252 A M + 0 0 88 1,-0.0 -1,-0.1 -4,-0.0 -4,-0.1 -0.962 51.7 134.6-163.8 154.7 74.5 -16.8 12.5 110 253 A A 0 0 69 -2,-0.3 -2,-0.1 -3,-0.1 -3,-0.1 0.127 360.0 360.0-160.4 -55.2 76.5 -19.4 14.5 111 254 A K 0 0 245 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.590 360.0 360.0-103.6 360.0 80.1 -18.2 14.9 112 ! 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 0.0 113 269 A D 0 0 180 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.4 62.9 -24.3 22.5 114 270 A F - 0 0 74 39,-0.1 2,-0.3 -15,-0.1 39,-0.2 -0.998 360.0-159.6-137.4 136.9 63.0 -20.5 22.5 115 271 A V E -D 152 0B 15 37,-1.5 37,-2.1 -2,-0.3 2,-0.4 -0.823 23.7-113.2-114.2 149.8 60.3 -17.8 21.8 116 272 A L E -D 151 0B 7 -2,-0.3 9,-2.0 35,-0.2 2,-0.3 -0.707 32.5-172.6 -83.2 128.8 60.6 -14.0 20.8 117 273 A R E -D 150 0B 36 33,-0.7 33,-2.2 -2,-0.4 2,-0.3 -0.762 27.2-106.6-113.4 161.1 59.3 -11.5 23.4 118 274 A V E -D 149 0B 2 5,-0.3 5,-0.3 -2,-0.3 2,-0.3 -0.702 40.4-100.9 -89.2 142.8 58.9 -7.7 23.0 119 275 A C S S- 0 0 12 29,-1.5 468,-0.3 -2,-0.3 467,-0.2 -0.486 102.7 -6.3 -65.9 121.3 61.4 -5.3 24.8 120 276 A G S S+ 0 0 7 -2,-0.3 436,-0.4 1,-0.2 -1,-0.2 -0.021 119.7 97.4 81.8 -27.6 59.8 -3.9 28.0 121 277 A R S S- 0 0 43 -3,-0.1 2,-0.5 464,-0.1 -3,-0.2 -0.535 75.5-135.0 -96.6 157.8 56.5 -5.5 27.1 122 278 A D S 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-7,-0.3 6,-0.3 0.648 98.3 64.6 -77.7 -19.7 11.7 -10.0 4.6 352 583 A L T 3< S+ 0 0 10 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.757 89.7 64.2 -75.9 -27.5 13.7 -13.1 5.7 353 584 A K T 3 S+ 0 0 116 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.611 96.9 67.2 -69.8 -15.5 15.9 -13.0 2.5 354 585 A H X> - 0 0 69 -3,-0.6 3,-2.5 -4,-0.1 4,-0.6 -0.903 66.1-163.8-112.7 101.7 17.3 -9.6 3.6 355 586 A P G >4 S+ 0 0 32 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.846 90.7 64.9 -52.4 -35.1 19.4 -9.7 6.8 356 587 A K G 34 S+ 0 0 121 1,-0.2 4,-0.3 2,-0.1 -5,-0.0 0.547 96.2 59.6 -62.9 -11.0 19.0 -5.9 7.2 357 588 A A G X> S+ 0 0 0 -3,-2.5 4,-2.7 -6,-0.3 3,-0.8 0.792 80.1 87.3 -86.8 -32.5 15.2 -6.5 7.8 358 589 A Y H S+ 0 0 5 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.871 120.3 41.9 -56.8 -37.3 15.7 -5.9 13.6 360 591 A K H <4 S+ 0 0 15 -3,-0.8 -2,-0.2 -4,-0.3 4,-0.1 0.848 115.9 47.4 -76.7 -39.1 12.6 -4.3 11.9 361 592 A L H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 -3,-0.2 0.917 113.1 48.0 -68.0 -46.4 10.8 -7.6 11.2 362 593 A F H >< S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.3 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0.966 111.7 47.1 -68.4 -52.4 2.5 -15.2 16.6 373 604 A V H X S+ 0 0 23 -4,-1.8 4,-2.2 -7,-0.3 -2,-0.2 0.860 109.1 58.1 -52.9 -41.5 5.7 -16.2 18.6 374 605 A A H X S+ 0 0 38 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.931 111.9 38.8 -55.2 -49.9 4.9 -19.8 17.4 375 606 A K H X S+ 0 0 84 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.803 110.9 60.3 -69.9 -34.9 5.2 -18.7 13.7 376 607 A T H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.860 106.7 46.9 -60.8 -37.8 8.1 -16.4 14.6 377 608 A Y H X S+ 0 0 82 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.828 108.4 53.4 -75.9 -29.9 10.0 -19.5 15.8 378 609 A Q H < S+ 0 0 121 -4,-1.2 4,-0.3 1,-0.2 -2,-0.2 0.779 109.3 51.4 -69.4 -29.6 9.0 -21.3 12.5 379 610 A L H >< S+ 0 0 0 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.838 105.2 54.2 -72.1 -39.6 10.6 -18.2 10.9 380 611 A L H >< S+ 0 0 6 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.641 98.7 65.2 -69.2 -18.2 13.8 -18.6 13.0 381 612 A A T 3< S+ 0 0 81 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.703 94.3 59.1 -76.1 -22.4 14.0 -22.2 11.6 382 613 A R T X + 0 0 150 -3,-1.0 3,-0.6 -4,-0.3 -1,-0.2 -0.267 65.4 134.2-101.9 43.9 14.5 -20.9 8.0 383 614 A R T <> + 0 0 61 -3,-0.5 4,-2.7 1,-0.2 5,-0.4 0.393 25.2 117.3 -76.1 2.1 17.7 -19.0 9.0 384 615 A E H 3> S+ 0 0 150 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.770 79.9 43.5 -35.9 -50.0 19.7 -20.3 5.9 385 616 A V H <> S+ 0 0 59 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.901 116.8 44.9 -66.9 -49.5 20.1 -16.7 4.5 386 617 A W H 4 S+ 0 0 3 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.964 116.0 45.9 -60.2 -56.2 21.0 -15.0 7.9 387 618 A D H < S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.772 115.6 50.2 -54.9 -35.4 23.5 -17.9 8.9 388 619 A Q H < S+ 0 0 156 -4,-1.4 -2,-0.2 -5,-0.4 -1,-0.2 0.952 91.3 90.9 -67.9 -58.1 24.9 -17.6 5.3 389 620 A S S < S- 0 0 38 -4,-2.5 3,-0.1 1,-0.1 2,-0.0 0.133 88.4 -94.1 -42.6 149.3 25.5 -13.8 5.1 390 621 A A - 0 0 92 1,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.373 55.8 -84.1 -67.5 148.9 28.8 -12.2 6.2 391 622 A L - 0 0 53 -3,-0.1 2,-0.5 28,-0.1 -1,-0.1 -0.349 42.3-168.3 -60.8 127.6 28.9 -10.9 9.8 392 623 A D > - 0 0 63 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.962 7.5-169.1-120.7 103.9 27.5 -7.4 10.2 393 624 A V H > S+ 0 0 19 -2,-0.5 4,-3.2 2,-0.2 5,-0.2 0.894 89.1 56.2 -59.2 -43.6 28.3 -6.0 13.7 394 625 A G H > S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.875 113.4 40.6 -54.7 -43.2 25.9 -3.1 13.2 395 626 A L H > S+ 0 0 9 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.850 114.7 52.8 -73.2 -41.2 23.1 -5.6 12.5 396 627 A T H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 4,-0.2 0.921 107.5 50.2 -62.2 -47.3 24.3 -8.0 15.4 397 628 A M H >< S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.2 4,-0.4 0.837 103.8 62.3 -61.2 -36.3 24.3 -5.2 18.1 398 629 A Q H >< S+ 0 0 15 -4,-1.0 3,-0.9 1,-0.3 5,-0.2 0.828 99.7 50.5 -59.2 -43.4 20.7 -4.2 17.1 399 630 A L T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.443 109.0 57.9 -75.2 -2.8 19.2 -7.6 18.0 400 631 A L T < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.496 87.8 94.9-105.8 -8.3 21.0 -7.1 21.4 401 632 A D S X S- 0 0 11 -3,-0.9 3,-1.3 -4,-0.4 9,-0.0 0.084 97.6 -79.2 -74.4-172.5 19.6 -3.8 22.5 402 633 A C T 3 S+ 0 0 17 1,-0.2 -1,-0.1 3,-0.0 -3,-0.1 0.575 120.1 71.9 -62.4 -16.9 16.6 -3.0 24.9 403 634 A N T 3 S+ 0 0 80 -5,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.575 90.3 59.3 -79.0 -15.4 14.2 -3.7 21.9 404 635 A F < + 0 0 8 -3,-1.3 -1,-0.1 1,-0.1 -203,-0.1 -0.955 46.3 157.3-126.2 107.4 14.6 -7.5 21.8 405 636 A S + 0 0 14 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.369 42.6 112.4-104.0 -6.5 13.7 -9.4 25.0 406 637 A D > - 0 0 4 1,-0.1 4,-1.8 -206,-0.1 5,-0.2 -0.652 63.7-143.5 -76.8 125.7 13.1 -12.8 23.2 407 638 A E H > S+ 0 0 84 -2,-0.4 4,-2.2 1,-0.2 38,-0.2 0.847 97.0 49.9 -49.8 -47.1 15.8 -15.4 24.1 408 639 A N H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 107.9 48.4 -65.9 -49.8 15.8 -16.9 20.6 409 640 A V H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.960 115.6 46.5 -56.4 -53.5 16.2 -13.6 18.5 410 641 A R H >X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 3,-0.7 0.908 107.9 57.0 -53.9 -49.9 19.1 -12.5 20.7 411 642 A A H 3X S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.851 103.5 53.4 -50.5 -45.4 20.8 -16.0 20.6 412 643 A I H 3X S+ 0 0 2 -4,-1.9 4,-1.4 -3,-0.3 -1,-0.2 0.841 109.3 48.8 -60.3 -38.8 21.0 -15.9 16.7 413 644 A A H XX S+ 0 0 0 -4,-1.3 4,-0.8 -3,-0.7 3,-0.6 0.958 112.3 47.5 -65.9 -47.6 22.8 -12.5 17.0 414 645 A V H >X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.3 3,-0.6 0.846 108.2 57.2 -57.9 -38.7 25.2 -14.0 19.6 415 646 A Q H 3< S+ 0 0 70 -4,-2.5 4,-0.3 1,-0.3 3,-0.3 0.861 103.7 51.7 -61.3 -37.3 25.6 -17.0 17.1 416 647 A K H << S+ 0 0 15 -4,-1.4 3,-0.3 -3,-0.6 -1,-0.3 0.676 105.1 58.1 -73.9 -19.2 26.7 -14.4 14.5 417 648 A L H X< S+ 0 0 1 -4,-0.8 3,-2.7 -3,-0.6 -2,-0.2 0.771 84.5 78.2 -79.4 -30.9 29.3 -13.1 17.0 418 649 A E T 3< S+ 0 0 76 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.762 89.0 59.7 -47.8 -33.0 31.1 -16.5 17.5 419 650 A S T 3 S+ 0 0 88 -4,-0.3 2,-0.4 -3,-0.3 -1,-0.3 0.249 79.4 112.0 -83.2 8.0 32.8 -15.8 14.1 420 651 A L < - 0 0 12 -3,-2.7 2,-0.2 2,-0.0 -3,-0.0 -0.716 66.7-132.2 -82.8 130.9 34.5 -12.6 15.5 421 652 A E >> - 0 0 68 -2,-0.4 3,-1.4 1,-0.1 4,-1.3 -0.549 30.0 -99.5 -80.9 153.0 38.3 -13.0 15.8 422 653 A D H 3> S+ 0 0 41 1,-0.3 4,-1.7 2,-0.2 -362,-0.1 0.695 120.6 62.7 -37.8 -38.3 39.9 -11.8 19.1 423 654 A D H 3> S+ 0 0 7 -364,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.922 108.3 39.9 -58.3 -49.6 41.0 -8.5 17.5 424 655 A D H <> S+ 0 0 28 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.714 106.4 63.5 -74.2 -28.0 37.3 -7.4 16.9 425 656 A V H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 3,-0.5 0.968 102.8 51.9 -61.0 -47.7 36.0 -8.8 20.3 426 657 A L H < S+ 0 0 29 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.752 106.3 54.0 -55.2 -34.7 38.4 -6.2 21.9 427 658 A H H < S+ 0 0 32 -4,-0.7 -1,-0.2 1,-0.2 4,-0.2 0.895 123.8 26.0 -67.0 -42.1 36.8 -3.4 19.7 428 659 A Y H X S+ 0 0 18 -4,-1.7 4,-2.7 -3,-0.5 -2,-0.2 0.410 91.8 102.1-104.9 1.0 33.2 -4.4 20.9 429 660 A L H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.914 82.5 49.8 -50.4 -56.2 34.0 -5.9 24.3 430 661 A L H > S+ 0 0 3 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.862 116.2 41.3 -51.1 -48.9 32.9 -2.8 26.3 431 662 A Q H > S+ 0 0 4 2,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.845 113.5 52.4 -71.1 -36.2 29.6 -2.5 24.4 432 663 A L H X S+ 0 0 0 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.911 111.3 47.8 -63.3 -44.2 28.9 -6.3 24.5 433 664 A V H >< S+ 0 0 0 -4,-2.8 3,-0.9 -5,-0.2 4,-0.3 0.883 112.7 48.7 -61.6 -42.4 29.5 -6.2 28.3 434 665 A Q H >< S+ 0 0 5 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.828 103.1 62.6 -68.4 -30.1 27.1 -3.2 28.6 435 666 A A H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 4,-0.3 0.667 83.1 78.3 -67.9 -19.3 24.6 -5.1 26.4 436 667 A V G X< S+ 0 0 2 -3,-0.9 3,-1.2 -4,-0.6 -1,-0.2 0.799 82.5 67.9 -59.8 -27.8 24.4 -7.8 29.3 437 668 A K G < S+ 0 0 4 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.652 94.8 55.0 -65.2 -19.0 22.1 -5.2 31.0 438 669 A F G < S+ 0 0 11 -3,-1.9 -1,-0.2 -38,-0.2 -2,-0.2 0.542 82.2 109.3 -92.8 -9.5 19.4 -5.8 28.2 439 670 A E < - 0 0 14 -3,-1.2 -34,-0.1 -4,-0.3 5,-0.0 -0.508 62.4-150.1 -70.3 124.8 19.4 -9.6 28.9 440 671 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.860 80.9 47.7 -64.0 -33.3 16.1 -10.7 30.6 441 672 A Y S S- 0 0 13 2,-0.1 -2,-0.1 1,-0.1 -181,-0.0 -0.799 78.0-128.9-114.6 152.9 18.0 -13.5 32.3 442 673 A H S S+ 0 0 16 -2,-0.3 2,-0.5 5,-0.0 -1,-0.1 0.836 102.4 54.7 -61.6 -40.0 21.3 -13.9 34.3 443 674 A D S S+ 0 0 29 4,-0.1 2,-0.3 -414,-0.0 -2,-0.1 -0.874 76.9 149.9 -99.6 129.7 22.4 -16.8 32.1 444 675 A S > - 0 0 13 -2,-0.5 4,-2.5 1,-0.1 5,-0.3 -0.969 61.9-105.8-154.3 163.9 22.4 -16.0 28.4 445 676 A A H > S+ 0 0 44 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.907 124.8 45.8 -57.5 -40.6 24.1 -16.8 25.1 446 677 A L H > S+ 0 0 0 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.916 110.9 49.3 -67.1 -53.3 25.8 -13.3 25.4 447 678 A A H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.918 118.0 42.0 -54.7 -46.2 26.8 -13.7 29.2 448 679 A R H X S+ 0 0 83 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.842 110.9 56.6 -68.1 -40.9 28.3 -17.1 28.4 449 680 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.908 107.6 47.4 -57.3 -46.9 29.9 -15.9 25.1 450 681 A L H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.914 112.1 51.9 -63.2 -40.1 31.8 -13.1 26.9 451 682 A L H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.917 111.9 44.9 -57.7 -53.2 32.9 -15.8 29.5 452 683 A K H X S+ 0 0 54 -4,-2.8 4,-2.1 2,-0.2 3,-0.4 0.966 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31.8 845 1090 A L T 3<5S+ 0 0 68 -4,-2.3 2,-1.9 1,-0.3 -3,-0.2 0.935 126.0 42.9 -43.9 -63.3 34.6 28.2 32.8 846 1091 A V T 3 5S- 0 0 83 -5,-0.2 -1,-0.3 -4,-0.1 2,-0.2 -0.433 146.2 -13.3 -79.3 53.6 37.5 30.3 33.7 847 1092 A L T < 5 0 0 143 -2,-1.9 -3,-0.3 -3,-0.9 -4,-0.1 -0.814 360.0 360.0 157.0-103.8 35.0 32.8 35.5 848 1093 A G < 0 0 85 -5,-2.5 -4,-0.4 -2,-0.2 -5,-0.1 0.276 360.0 360.0-177.5 360.0 31.1 32.8 35.1