==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEAR RECEPTOR 24-AUG-98 3PRG . COMPND 2 MOLECULE: PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.UPPENBERG,C.SVENSSON,M.JAKI,G.BERTILSSON,L.JENDEBERG, . 267 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 11 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 54.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 1 1 2 0 0 1 1 0 0 0 0 0 0 0 2 1 0 0 0 1 0 1 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 . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 200 A A 0 0 129 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.7 32.5 28.3 0.8 2 201 A V - 0 0 106 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.970 360.0-167.8-124.3 135.5 36.1 27.3 0.9 3 202 A H - 0 0 100 -2,-0.4 2,-0.3 207,-0.0 0, 0.0 -0.907 7.0-163.1-124.5 150.9 38.4 27.0 3.9 4 203 A Y - 0 0 182 -2,-0.3 2,-1.4 0, 0.0 5,-0.1 -0.884 34.4-108.0-123.9 157.2 42.1 26.6 4.5 5 204 A L + 0 0 165 -2,-0.3 -2,-0.0 4,-0.1 0, 0.0 -0.698 59.3 153.5 -91.7 89.7 43.8 25.6 7.7 6 205 A N > - 0 0 53 -2,-1.4 4,-1.4 1,-0.0 5,-0.1 -0.558 60.9 -97.1-109.2 173.4 45.4 28.9 8.8 7 206 A P H > S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.821 123.9 52.1 -60.9 -29.7 46.5 30.4 12.1 8 207 A E H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.919 108.9 46.6 -74.3 -42.6 43.2 32.3 12.2 9 208 A S H > S+ 0 0 12 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.706 108.3 60.7 -71.5 -18.3 41.0 29.3 11.7 10 209 A A H X S+ 0 0 48 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.866 104.4 46.1 -75.0 -38.6 43.1 27.6 14.3 11 210 A D H X S+ 0 0 108 -4,-1.3 4,-3.7 -3,-0.2 5,-0.2 0.877 108.5 56.7 -70.0 -38.4 42.2 30.1 17.0 12 211 A L H X S+ 0 0 15 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.843 109.6 46.0 -60.3 -33.1 38.6 29.9 16.0 13 212 A R H X S+ 0 0 62 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.759 113.5 49.2 -79.9 -26.4 38.8 26.1 16.6 14 213 A A H X S+ 0 0 43 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.896 107.1 53.9 -77.1 -43.1 40.6 26.8 19.9 15 214 A L H X S+ 0 0 29 -4,-3.7 4,-2.6 1,-0.2 5,-0.3 0.899 106.8 55.2 -56.2 -42.4 37.9 29.3 21.0 16 215 A A H X S+ 0 0 8 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.934 106.6 47.3 -57.0 -51.6 35.4 26.6 20.3 17 216 A K H X S+ 0 0 121 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.958 113.0 52.7 -55.1 -49.9 37.1 24.1 22.6 18 217 A H H X S+ 0 0 75 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 109.8 42.8 -50.9 -59.0 37.3 26.8 25.3 19 218 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.790 113.5 56.5 -61.6 -28.7 33.6 27.9 25.3 20 219 A Y H X S+ 0 0 88 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.931 108.4 44.4 -69.1 -48.0 32.7 24.2 25.2 21 220 A D H X S+ 0 0 100 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.908 114.0 49.6 -63.3 -42.2 34.7 23.3 28.4 22 221 A S H X S+ 0 0 15 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.901 111.2 52.8 -60.0 -41.7 33.3 26.4 30.2 23 222 A Y H >X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 3,-0.5 0.943 107.8 47.3 -57.4 -57.3 29.9 25.3 29.1 24 223 A I H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.855 117.5 44.8 -54.8 -38.0 30.1 21.8 30.4 25 224 A K H 3< S+ 0 0 183 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.675 113.5 49.8 -83.4 -19.2 31.4 23.2 33.7 26 225 A S H << S+ 0 0 15 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.2 0.799 107.3 52.2 -91.1 -30.7 28.9 26.0 33.9 27 226 A F < - 0 0 11 -4,-2.3 -1,-0.1 1,-0.2 3,-0.1 -0.907 63.0-152.5-114.5 133.9 25.7 24.0 33.4 28 227 A P S S+ 0 0 44 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.984 85.7 45.1 -61.5 -59.7 24.5 20.9 35.2 29 228 A L S S- 0 0 35 4,-0.1 2,-0.1 3,-0.0 106,-0.1 -0.782 72.2-166.2 -96.4 116.9 22.3 19.4 32.4 30 229 A T > - 0 0 9 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.451 35.0-110.3 -90.6 168.2 23.8 19.3 28.9 31 230 A K H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.874 118.0 58.8 -67.6 -34.6 21.7 18.6 25.8 32 231 A A H > S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.945 111.9 39.4 -57.5 -49.3 23.5 15.2 25.4 33 232 A K H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.920 114.7 54.0 -65.7 -46.4 22.3 14.1 28.8 34 233 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.913 110.6 44.8 -54.7 -50.1 18.8 15.7 28.4 35 234 A R H X S+ 0 0 65 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.830 108.2 58.1 -65.9 -34.3 18.1 13.9 25.2 36 235 A A H ><>S+ 0 0 32 -4,-1.5 5,-1.9 -5,-0.3 3,-0.8 0.959 109.0 45.6 -59.1 -51.5 19.4 10.6 26.5 37 236 A I H ><5S+ 0 0 12 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.863 111.3 51.8 -59.6 -41.7 16.8 10.8 29.3 38 237 A L H 3<5S+ 0 0 35 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.665 112.7 45.7 -70.6 -18.3 14.0 11.8 27.0 39 238 A T T <<5S- 0 0 115 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.365 113.1-124.2-103.1 -0.3 14.8 8.8 24.8 40 239 A G T < 5S+ 0 0 56 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.633 74.7 121.1 69.3 20.1 15.1 6.6 27.8 41 240 A K < + 0 0 186 -5,-1.9 2,-0.2 -6,-0.2 -4,-0.2 0.597 44.0 102.4 -91.3 -6.0 18.6 5.2 27.4 42 241 A T - 0 0 32 -6,-0.5 -9,-0.0 1,-0.1 0, 0.0 -0.542 55.7-159.7 -76.0 138.8 19.9 6.5 30.7 43 242 A T S S+ 0 0 142 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.927 91.6 38.7 -81.3 -52.5 20.2 3.9 33.4 44 243 A D S S+ 0 0 136 1,-0.0 2,-0.5 0, 0.0 -1,-0.1 0.533 110.7 75.1 -76.9 -8.3 20.3 6.1 36.5 45 244 A K + 0 0 68 2,-0.0 -3,-0.1 -9,-0.0 91,-0.1 -0.931 39.7 138.1-115.8 128.1 17.8 8.4 34.9 46 245 A S - 0 0 105 -2,-0.5 -8,-0.1 89,-0.3 3,-0.1 -0.590 44.2-139.2-164.3 87.6 14.0 7.7 34.6 47 246 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 90,-0.3 -0.144 16.5-114.9 -55.7 141.7 12.0 10.8 35.5 48 247 A F E -a 137 0A 64 88,-2.6 90,-1.9 14,-0.1 2,-0.6 -0.725 36.9-130.7 -78.3 119.1 8.8 10.7 37.5 49 248 A V E -a 138 0A 62 -2,-0.6 2,-0.9 88,-0.2 90,-0.2 -0.648 18.1-163.3 -80.9 115.7 6.1 11.8 35.0 50 249 A I E +a 139 0A 12 88,-3.0 90,-2.4 -2,-0.6 93,-0.2 -0.889 30.0 148.5 -98.1 105.8 3.8 14.5 36.4 51 250 A Y + 0 0 137 -2,-0.9 2,-0.3 88,-0.2 -1,-0.1 0.263 63.0 12.3-121.9 5.0 0.9 14.4 34.0 52 251 A D S > S- 0 0 51 -3,-0.1 4,-1.4 1,-0.1 -1,-0.1 -0.960 87.2 -86.0-167.1 176.8 -2.0 15.4 36.3 53 252 A M H > S+ 0 0 79 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.879 123.4 50.7 -63.9 -40.2 -2.8 16.8 39.7 54 253 A N H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.918 112.7 45.1 -64.7 -44.1 -2.6 13.4 41.4 55 254 A S H > S+ 0 0 3 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.744 110.0 59.6 -71.4 -22.4 0.8 12.6 39.9 56 255 A L H X S+ 0 0 7 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.972 109.5 39.5 -68.7 -53.6 1.8 16.2 40.8 57 256 A M H >< S+ 0 0 99 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.908 117.1 47.3 -64.2 -46.1 1.2 15.7 44.5 58 257 A M H >< S+ 0 0 105 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.732 108.3 60.3 -68.8 -16.6 2.5 12.2 44.8 59 258 A G H >< S+ 0 0 5 -4,-0.7 3,-1.0 1,-0.2 -1,-0.2 0.756 89.5 67.3 -80.1 -23.7 5.5 13.5 42.9 60 259 A E G X< S+ 0 0 96 -4,-0.9 3,-0.6 -3,-0.8 -1,-0.2 0.599 91.6 65.2 -72.4 -7.9 6.3 16.0 45.5 61 260 A D G < S+ 0 0 137 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.746 105.0 41.9 -81.5 -27.6 7.2 13.1 47.8 62 261 A K G < 0 0 139 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 -0.090 360.0 360.0-109.9 30.3 10.1 12.1 45.5 63 262 A I < 0 0 144 -3,-0.6 -1,-0.2 74,-0.0 -2,-0.2 0.447 360.0 360.0 60.7 360.0 11.2 15.7 45.1 64 ! 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 65 274 A S 0 0 113 0, 0.0 2,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -7.1 -1.7 31.2 48.7 66 275 A K + 0 0 143 4,-0.1 2,-0.1 5,-0.0 188,-0.1 -0.245 360.0 154.5 -94.7 46.1 -0.1 28.0 47.6 67 276 A E >> - 0 0 78 -2,-0.5 4,-3.5 1,-0.1 3,-0.9 -0.496 54.0-115.4 -72.7 144.9 -2.5 27.0 44.8 68 277 A V H 3> S+ 0 0 18 1,-0.3 4,-3.3 2,-0.2 5,-0.4 0.891 113.5 55.6 -46.2 -53.5 -0.9 24.8 42.2 69 278 A A H 3> S+ 0 0 6 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.872 120.0 34.5 -49.2 -38.9 -1.1 27.2 39.3 70 279 A I H <> S+ 0 0 5 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.860 114.0 56.3 -82.7 -42.1 0.8 29.7 41.5 71 280 A R H X S+ 0 0 77 -4,-3.5 4,-0.9 1,-0.2 -2,-0.2 0.914 113.3 43.3 -55.7 -46.4 3.0 27.2 43.3 72 281 A I H X S+ 0 0 23 -4,-3.3 4,-1.4 -5,-0.3 -1,-0.2 0.811 111.0 55.6 -70.2 -32.8 4.3 26.0 40.0 73 282 A F H X S+ 0 0 9 -4,-0.8 4,-1.4 -5,-0.4 -2,-0.2 0.888 108.1 46.6 -68.8 -40.5 4.6 29.6 38.7 74 283 A Q H X S+ 0 0 23 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.734 105.0 62.7 -75.0 -21.0 6.9 30.7 41.5 75 284 A G H X S+ 0 0 38 -4,-0.9 4,-2.3 -5,-0.2 -1,-0.2 0.926 102.9 49.6 -67.1 -43.5 8.9 27.5 41.0 76 285 A C H X S+ 0 0 38 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.902 107.6 52.6 -61.9 -44.6 9.8 28.7 37.5 77 286 A Q H X S+ 0 0 14 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.836 110.2 49.6 -64.5 -28.8 10.9 32.1 38.6 78 287 A F H X S+ 0 0 118 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.927 110.4 47.8 -73.8 -43.3 13.2 30.6 41.2 79 288 A R H X S+ 0 0 86 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.887 109.1 59.4 -62.9 -34.6 14.8 28.2 38.8 80 289 A S H X S+ 0 0 21 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.901 104.9 44.1 -61.9 -43.7 15.1 31.3 36.5 81 290 A V H X S+ 0 0 30 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.925 114.5 50.5 -69.5 -38.9 17.3 33.3 38.9 82 291 A E H X S+ 0 0 90 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.921 110.6 50.3 -59.5 -42.0 19.4 30.3 39.7 83 292 A A H X S+ 0 0 11 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 105.8 56.8 -62.2 -38.6 19.7 29.9 35.9 84 293 A V H X S+ 0 0 18 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.925 104.5 51.7 -58.3 -46.1 20.7 33.5 35.7 85 294 A Q H X S+ 0 0 148 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.861 110.6 47.9 -60.1 -38.7 23.6 32.9 38.1 86 295 A E H X S+ 0 0 36 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.863 111.6 49.7 -70.3 -39.9 24.8 29.9 36.0 87 296 A I H X S+ 0 0 0 -4,-2.2 4,-3.5 2,-0.2 -2,-0.2 0.920 110.8 51.0 -64.1 -44.9 24.6 31.9 32.7 88 297 A T H X S+ 0 0 36 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.933 109.1 49.3 -59.1 -47.9 26.6 34.7 34.4 89 298 A E H X S+ 0 0 124 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.934 114.1 46.7 -59.9 -42.8 29.3 32.4 35.5 90 299 A Y H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.924 108.5 55.8 -64.0 -44.6 29.4 31.0 32.0 91 300 A A H >< S+ 0 0 0 -4,-3.5 3,-2.7 1,-0.3 -2,-0.2 0.919 98.9 60.6 -53.3 -46.6 29.5 34.5 30.5 92 301 A K H 3< S+ 0 0 125 -4,-2.4 6,-0.3 1,-0.3 -1,-0.3 0.705 99.3 59.4 -55.7 -19.9 32.6 35.5 32.6 93 302 A S T << S+ 0 0 34 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.509 77.2 103.6 -89.4 -6.0 34.4 32.7 30.8 94 303 A I S X> S- 0 0 2 -3,-2.7 3,-1.3 -4,-0.3 4,-0.6 -0.689 88.3-106.3 -76.8 123.6 33.9 34.2 27.4 95 304 A P T 34 S+ 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.246 101.0 11.7 -52.8 126.9 37.3 35.7 26.5 96 305 A G T >> S+ 0 0 26 -4,-0.1 3,-1.7 4,-0.0 4,-0.8 -0.133 97.2 102.3 96.9 -36.8 37.2 39.5 26.7 97 306 A F G X4 S+ 0 0 1 -3,-1.3 3,-1.3 1,-0.3 -5,-0.1 0.877 80.9 52.2 -45.3 -49.0 33.8 39.7 28.5 98 307 A V G 3< S+ 0 0 82 -4,-0.6 -1,-0.3 -6,-0.3 4,-0.1 0.709 103.4 57.2 -63.5 -24.1 35.5 40.4 31.8 99 308 A N G <4 S+ 0 0 138 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.594 85.6 101.7 -85.8 -9.3 37.6 43.2 30.4 100 309 A L S << S- 0 0 14 -3,-1.3 2,-0.1 -4,-0.8 5,-0.1 -0.282 96.3 -77.3 -69.1 159.9 34.5 45.2 29.3 101 310 A D >> - 0 0 69 1,-0.2 4,-1.7 92,-0.2 3,-1.7 -0.410 44.2-124.5 -59.2 128.9 33.3 48.0 31.5 102 311 A L H 3> S+ 0 0 121 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.829 110.6 60.6 -45.8 -38.0 31.5 46.4 34.4 103 312 A N H 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.883 105.8 45.3 -59.3 -40.7 28.4 48.4 33.5 104 313 A D H <> S+ 0 0 0 -3,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.820 105.4 60.8 -73.3 -31.0 28.2 46.8 30.1 105 314 A Q H X S+ 0 0 25 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.895 110.1 42.6 -60.9 -39.0 28.7 43.3 31.4 106 315 A V H X S+ 0 0 80 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.926 112.6 51.7 -73.6 -44.9 25.6 43.8 33.5 107 316 A T H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.918 110.6 51.2 -57.4 -43.7 23.6 45.4 30.6 108 317 A L H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 3,-0.4 0.980 116.4 37.2 -58.3 -60.1 24.6 42.4 28.4 109 318 A L H X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.964 112.4 59.4 -55.0 -55.2 23.5 39.7 30.9 110 319 A K H < S+ 0 0 60 -4,-3.3 4,-0.2 1,-0.2 -1,-0.2 0.807 115.9 34.1 -42.0 -40.6 20.5 41.8 32.0 111 320 A Y H < S+ 0 0 43 -4,-1.8 4,-0.3 -3,-0.4 -1,-0.2 0.733 124.7 38.3 -92.9 -25.5 19.1 41.8 28.4 112 321 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 -3,-0.4 5,-0.2 0.522 86.6 89.9-105.5 -3.9 20.2 38.5 27.0 113 322 A V H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.1 0.897 91.8 48.0 -60.9 -38.4 19.8 36.1 30.0 114 323 A H H > S+ 0 0 4 -5,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.868 106.7 54.8 -70.2 -37.0 16.2 35.3 28.9 115 324 A E H > S+ 0 0 9 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.892 113.1 45.0 -62.4 -35.3 17.1 34.7 25.3 116 325 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.869 106.3 60.4 -74.6 -37.3 19.6 32.1 26.7 117 326 A I H X S+ 0 0 18 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.879 109.1 41.4 -60.3 -38.8 17.1 30.7 29.1 118 327 A Y H X S+ 0 0 18 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.701 110.4 58.3 -83.7 -15.7 14.7 29.6 26.4 119 328 A T H < S+ 0 0 0 -4,-0.8 4,-0.3 -3,-0.2 -2,-0.2 0.885 114.3 37.0 -75.7 -40.4 17.4 28.4 24.1 120 329 A M H < S+ 0 0 32 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.672 108.0 63.7 -85.5 -18.5 18.6 26.0 26.7 121 330 A L H >< S+ 0 0 30 -4,-1.0 3,-1.2 -5,-0.2 -1,-0.2 0.832 93.7 65.0 -71.9 -31.5 15.1 25.1 27.9 122 331 A A G >< S+ 0 0 1 -4,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.798 92.2 61.8 -59.7 -30.7 14.6 23.7 24.4 123 332 A S G 3 S+ 0 0 7 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.798 106.8 45.5 -66.3 -27.7 17.2 21.1 25.2 124 333 A L G < S+ 0 0 37 -3,-1.2 7,-1.7 -4,-0.5 2,-0.3 0.267 104.0 85.3 -98.3 7.1 15.0 19.8 28.0 125 334 A M E < +B 130 0A 2 -3,-1.3 2,-0.3 5,-0.2 5,-0.2 -0.839 44.3 167.6-114.7 150.2 11.8 19.9 25.9 126 335 A N E > -B 129 0A 36 3,-1.9 3,-0.7 -2,-0.3 37,-0.1 -0.860 58.6 -83.8-143.1 175.6 10.1 17.5 23.5 127 336 A K T 3 S+ 0 0 145 -2,-0.3 3,-0.1 1,-0.2 14,-0.1 0.760 128.1 49.4 -56.6 -22.8 6.6 17.5 22.0 128 337 A D T 3 S- 0 0 106 1,-0.2 13,-2.6 13,-0.1 14,-0.4 0.731 117.8 -67.3 -90.4 -28.6 5.4 15.8 25.2 129 338 A G E < -BC 126 140A 0 -3,-0.7 -3,-1.9 11,-0.3 2,-0.3 -0.994 51.2 -63.4 170.0-163.1 6.8 17.9 28.0 130 339 A V E -BC 125 139A 8 9,-2.3 9,-3.2 -2,-0.3 2,-0.5 -0.910 32.7-123.4-122.5 147.8 9.8 19.3 30.1 131 340 A L E - C 0 138A 10 -7,-1.7 7,-0.3 -2,-0.3 2,-0.3 -0.783 37.4-169.5 -86.6 127.5 12.4 17.7 32.3 132 341 A I E >>> + C 0 137A 52 5,-2.4 5,-2.4 -2,-0.5 4,-1.3 -0.780 56.6 22.7-117.5 163.7 12.2 19.4 35.7 133 342 A S G >45S- 0 0 58 -2,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.897 132.0 -55.3 47.3 53.6 14.5 19.2 38.8 134 343 A E G 345S- 0 0 104 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.758 111.7 -40.5 53.7 36.3 17.6 18.2 36.7 135 344 A G G <45S+ 0 0 3 -3,-0.8 -89,-0.3 2,-0.3 -1,-0.2 0.622 115.4 107.9 92.1 12.9 16.0 15.1 35.1 136 345 A Q T <<5S+ 0 0 86 -4,-1.3 -88,-2.6 -3,-0.7 2,-0.3 0.758 83.3 26.1 -90.1 -30.6 14.2 13.9 38.2 137 346 A G E < -aC 48 132A 5 -5,-2.4 -5,-2.4 -90,-0.3 2,-0.4 -0.849 61.1-152.1-130.6 166.2 10.8 14.9 36.9 138 347 A F E -aC 49 131A 23 -90,-1.9 -88,-3.0 -2,-0.3 2,-0.7 -0.970 14.0-153.9-138.4 116.9 9.0 15.3 33.6 139 348 A M E -aC 50 130A 16 -9,-3.2 -9,-2.3 -2,-0.4 -88,-0.2 -0.866 20.1-124.9-103.3 117.9 6.2 17.7 33.4 140 349 A T E > - C 0 129A 26 -90,-2.4 4,-1.4 -2,-0.7 -11,-0.3 -0.247 7.1-137.1 -55.7 133.8 3.6 17.0 30.7 141 350 A R H > S+ 0 0 36 -13,-2.6 4,-1.2 1,-0.2 -12,-0.1 0.852 106.3 51.9 -61.4 -38.0 2.8 19.8 28.2 142 351 A E H > S+ 0 0 116 -14,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.812 104.3 57.7 -68.6 -30.8 -0.9 19.1 28.4 143 352 A F H > S+ 0 0 7 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.877 105.4 51.0 -66.2 -36.8 -0.7 19.3 32.2 144 353 A L H < S+ 0 0 7 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.805 107.5 51.2 -70.5 -32.0 0.7 22.9 31.9 145 354 A K H < S+ 0 0 92 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.733 102.1 62.2 -76.5 -22.1 -2.1 24.1 29.6 146 355 A S H < S+ 0 0 79 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.718 82.2 112.7 -74.8 -20.9 -4.7 22.7 32.0 147 356 A L S < S- 0 0 12 -4,-0.6 5,-0.1 -3,-0.4 -3,-0.0 -0.089 83.5 -59.9 -53.9 152.1 -3.5 25.1 34.7 148 357 A R > - 0 0 92 3,-0.2 4,-0.6 1,-0.1 3,-0.2 0.240 66.9 -85.6 -29.7 147.0 -5.7 28.0 35.9 149 358 A K T >4 S+ 0 0 186 1,-0.2 3,-0.7 2,-0.2 4,-0.1 0.734 124.1 34.4 -27.1 -62.8 -6.9 30.6 33.3 150 359 A P G >4 S+ 0 0 30 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.947 119.8 46.8 -67.5 -48.3 -3.8 33.0 33.5 151 360 A F G 34 S+ 0 0 0 1,-0.2 -4,-0.2 -3,-0.2 4,-0.2 0.213 88.0 88.8 -80.8 16.3 -1.0 30.4 34.0 152 361 A G G << S+ 0 0 6 -3,-0.7 -1,-0.2 -4,-0.6 4,-0.1 0.467 94.3 35.7 -93.5 2.1 -2.2 28.0 31.3 153 362 A D S < S+ 0 0 87 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.1 0.380 82.0 97.2-132.1 2.4 -0.2 29.7 28.5 154 363 A F S S+ 0 0 9 1,-0.2 4,-0.3 -10,-0.2 -2,-0.1 0.760 97.7 35.5 -67.8 -20.0 3.1 30.9 30.0 155 364 A M S >> S+ 0 0 30 -4,-0.2 4,-2.0 -11,-0.1 3,-0.7 0.773 96.2 80.0-100.6 -31.1 4.8 27.8 28.8 156 365 A E H 3> S+ 0 0 36 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.831 91.5 53.2 -48.4 -42.1 3.1 27.0 25.5 157 366 A P H 3> S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.921 107.6 52.9 -62.2 -40.2 5.1 29.6 23.5 158 367 A K H <> S+ 0 0 8 -3,-0.7 4,-2.9 -4,-0.3 -2,-0.2 0.969 108.7 49.6 -56.7 -54.6 8.3 28.0 24.8 159 368 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.882 107.8 52.7 -51.2 -46.8 7.2 24.6 23.6 160 369 A E H X S+ 0 0 108 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.922 113.9 44.2 -57.1 -44.2 6.3 25.9 20.1 161 370 A F H X S+ 0 0 13 -4,-2.1 4,-3.1 -3,-0.2 -2,-0.2 0.911 109.2 55.8 -64.6 -48.2 9.8 27.4 19.9 162 371 A A H X S+ 0 0 1 -4,-2.9 4,-3.9 1,-0.2 5,-0.3 0.901 107.4 49.7 -52.4 -47.9 11.6 24.4 21.3 163 372 A V H X S+ 0 0 43 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.945 113.8 42.6 -59.5 -53.7 10.1 22.1 18.6 164 373 A K H < S+ 0 0 121 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.922 119.7 48.1 -58.3 -42.7 11.0 24.2 15.7 165 374 A F H >< S+ 0 0 6 -4,-3.1 3,-2.0 1,-0.2 5,-0.3 0.916 104.8 53.4 -66.7 -48.5 14.4 24.8 17.3 166 375 A N H >< S+ 0 0 25 -4,-3.9 3,-1.6 1,-0.3 -1,-0.2 0.706 93.8 77.4 -62.6 -15.5 15.3 21.2 18.2 167 376 A A T 3< S+ 0 0 62 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.830 83.2 62.4 -60.2 -34.2 14.6 20.5 14.5 168 377 A L T < S- 0 0 23 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.601 98.9-143.8 -68.1 -12.0 18.0 22.1 13.7 169 378 A E < + 0 0 146 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.1 0.872 29.1 177.5 47.0 52.6 19.6 19.3 15.7 170 379 A L - 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