==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR 13-OCT-03 1UPW . COMPND 2 MOLECULE: OXYSTEROLS RECEPTOR LXR-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HOERER,A.SCHMID,A.HECKEL,R.M.BUDZINSKI,H.NAR . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.2 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 . 1 0.4 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 . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 0 0 1 0 1 1 0 0 0 0 0 0 2 0 0 0 1 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 219 A Q 0 0 219 0, 0.0 2,-0.2 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 149.9 76.7 -30.2 40.3 2 220 A L - 0 0 46 175,-0.1 172,-0.0 1,-0.1 2,-0.0 -0.553 360.0-123.5 -66.8 133.2 76.2 -27.0 38.4 3 221 A T >> - 0 0 79 -2,-0.2 4,-2.2 1,-0.1 3,-0.7 -0.313 25.8-105.9 -69.9 162.3 73.5 -24.7 40.0 4 222 A A H 3> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.916 122.4 57.1 -55.9 -38.1 70.5 -23.6 37.9 5 223 A A H 3> S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.776 108.1 45.8 -66.4 -29.6 72.1 -20.1 37.7 6 224 A Q H <> S+ 0 0 10 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.858 109.9 52.3 -80.3 -39.4 75.3 -21.5 36.2 7 225 A E H X S+ 0 0 40 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.838 110.8 51.8 -63.5 -28.6 73.5 -23.7 33.7 8 226 A L H X S+ 0 0 103 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.931 108.9 46.4 -74.2 -45.9 71.6 -20.6 32.7 9 227 A M H X S+ 0 0 25 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.845 113.2 50.8 -66.5 -34.9 74.7 -18.4 32.1 10 228 A I H X S+ 0 0 18 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.923 111.5 47.6 -64.1 -47.6 76.4 -21.2 30.1 11 229 A Q H X S+ 0 0 137 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.906 109.8 51.1 -61.9 -50.6 73.3 -21.6 27.9 12 230 A Q H X S+ 0 0 93 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.895 114.0 47.3 -48.1 -46.9 72.8 -17.9 27.2 13 231 A L H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.938 113.4 45.2 -66.6 -50.1 76.5 -17.8 26.2 14 232 A V H X S+ 0 0 44 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.930 116.2 46.6 -58.5 -49.5 76.5 -20.9 23.9 15 233 A A H >X S+ 0 0 62 -4,-3.0 4,-2.2 2,-0.2 3,-0.5 0.950 113.4 48.4 -58.3 -52.5 73.2 -19.7 22.2 16 234 A A H 3< S+ 0 0 13 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.874 108.3 55.8 -53.1 -38.9 74.6 -16.2 21.8 17 235 A Q H 3< S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.820 105.4 51.1 -67.0 -30.4 77.8 -17.8 20.4 18 236 A L H << 0 0 157 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.913 360.0 360.0 -66.2 -44.1 75.6 -19.6 17.8 19 237 A Q < 0 0 120 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.296 360.0 360.0 77.2 360.0 74.1 -16.1 17.0 20 ! 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 21 249 A V 0 0 98 0, 0.0 21,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.2 86.4 -9.9 0.3 22 250 A T - 0 0 47 19,-0.2 23,-0.1 1,-0.1 2,-0.1 -0.459 360.0-112.1 -58.2 127.0 89.4 -8.9 -1.8 23 251 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 19,-0.1 -0.360 23.8-103.0 -73.9 142.8 90.6 -12.0 -3.5 24 252 A W - 0 0 57 1,-0.1 2,-0.8 -2,-0.1 15,-0.1 -0.357 50.1-102.1 -49.3 136.6 93.9 -13.8 -2.8 25 253 A P > - 0 0 11 0, 0.0 3,-1.1 0, 0.0 2,-0.3 -0.635 40.8-128.7 -75.6 111.5 96.2 -12.8 -5.7 26 254 A L T 3 S- 0 0 170 -2,-0.8 9,-0.0 1,-0.3 0, 0.0 -0.450 74.8 -20.2 -70.2 118.5 96.2 -16.0 -7.9 27 255 A G T 3 S+ 0 0 84 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.711 90.4 154.0 59.0 24.2 99.6 -17.3 -8.9 28 256 A A < - 0 0 38 -3,-1.1 -1,-0.2 1,-0.1 0, 0.0 -0.522 55.1 -90.4 -75.6 153.0 101.4 -14.0 -8.2 29 257 A D - 0 0 93 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 -0.298 27.4-132.7 -56.8 142.5 105.1 -14.2 -7.3 30 258 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.836 108.0 52.6 -62.4 -38.8 105.7 -14.5 -3.5 31 259 A Q S S+ 0 0 168 4,-0.1 2,-0.3 5,-0.0 -2,-0.1 0.548 84.7 119.0 -72.3 -10.7 108.4 -11.7 -3.7 32 260 A S > - 0 0 37 -3,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.448 55.6-153.9 -72.5 122.6 105.9 -9.4 -5.4 33 261 A R H > S+ 0 0 208 -2,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.796 95.4 49.0 -61.4 -37.9 105.1 -6.2 -3.5 34 262 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 113.0 49.8 -68.9 -38.4 101.6 -5.7 -5.0 35 263 A A H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.946 108.6 51.2 -64.3 -47.4 100.8 -9.3 -4.2 36 264 A R H X S+ 0 0 73 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.868 110.7 49.9 -56.1 -41.0 102.1 -8.8 -0.6 37 265 A Q H X S+ 0 0 80 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.910 110.8 49.0 -61.0 -45.6 99.8 -5.8 -0.3 38 266 A Q H X S+ 0 0 83 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.800 110.9 49.8 -67.6 -31.1 96.8 -7.7 -1.6 39 267 A R H X S+ 0 0 7 -4,-2.2 4,-2.1 75,-0.2 5,-0.2 0.923 111.9 48.8 -70.3 -41.7 97.4 -10.6 0.8 40 268 A F H X S+ 0 0 11 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.951 110.7 50.3 -59.9 -49.5 97.6 -8.1 3.7 41 269 A A H X S+ 0 0 25 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.814 108.2 54.2 -59.6 -36.8 94.4 -6.4 2.6 42 270 A H H X S+ 0 0 5 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.939 111.3 42.8 -57.0 -54.9 92.7 -9.9 2.4 43 271 A F H X S+ 0 0 29 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.920 111.5 56.6 -63.2 -44.6 93.6 -10.8 6.0 44 272 A T H X S+ 0 0 12 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.904 108.2 46.7 -48.1 -47.2 92.7 -7.3 7.1 45 273 A E H X S+ 0 0 67 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.831 110.9 51.2 -73.8 -29.3 89.2 -7.8 5.6 46 274 A L H >X S+ 0 0 15 -4,-1.9 4,-1.0 1,-0.2 3,-0.7 0.937 109.4 52.6 -63.5 -45.9 88.9 -11.2 7.3 47 275 A A H 3X S+ 0 0 14 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.786 102.5 57.9 -61.7 -30.8 89.9 -9.6 10.6 48 276 A I H 3X S+ 0 0 39 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.822 103.5 52.1 -71.8 -32.8 87.2 -6.9 10.2 49 277 A I H < S+ 0 0 14 -4,-1.4 3,-1.2 2,-0.2 -2,-0.2 0.903 107.0 52.3 -73.7 -41.6 78.7 -11.2 20.8 58 286 A A H >< S+ 0 0 0 -4,-1.8 3,-2.9 1,-0.3 6,-0.3 0.899 98.9 63.8 -60.7 -44.0 79.7 -8.9 23.7 59 287 A K T 3< S+ 0 0 100 -4,-1.5 6,-0.3 1,-0.3 -1,-0.3 0.712 103.1 52.6 -52.5 -20.9 76.5 -6.9 23.4 60 288 A Q T < S+ 0 0 111 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.390 81.1 102.0-100.6 2.3 74.8 -10.2 24.4 61 289 A V S X> S- 0 0 3 -3,-2.9 3,-1.7 -4,-0.1 4,-0.6 -0.788 87.2-108.1 -89.0 124.1 76.8 -10.9 27.5 62 290 A P T 34 S+ 0 0 53 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.314 101.2 16.1 -57.7 128.8 74.6 -9.9 30.4 63 291 A G T >> S+ 0 0 16 -4,-0.1 4,-1.0 4,-0.0 3,-0.8 -0.088 96.8 98.5 101.4 -32.0 75.9 -6.8 32.0 64 292 A F G X4 S+ 0 0 2 -3,-1.7 3,-1.1 1,-0.3 -5,-0.1 0.908 85.5 46.1 -57.0 -47.6 78.2 -5.6 29.2 65 293 A L G 3< S+ 0 0 76 -4,-0.6 -1,-0.3 -6,-0.3 -6,-0.1 0.675 106.2 62.4 -70.9 -15.8 75.7 -3.1 27.8 66 294 A Q G <4 S+ 0 0 136 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.732 90.1 93.9 -78.2 -22.7 75.1 -1.9 31.3 67 295 A L S << S- 0 0 5 -3,-1.1 5,-0.1 -4,-1.0 -4,-0.0 -0.257 93.8 -76.1 -73.2 154.6 78.7 -0.8 31.6 68 296 A G >> - 0 0 33 1,-0.1 4,-2.8 3,-0.1 3,-0.7 -0.195 40.4-124.7 -48.3 133.0 80.2 2.6 30.9 69 297 A R H 3> S+ 0 0 184 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.848 113.2 50.5 -51.4 -42.2 80.5 3.3 27.2 70 298 A E H 3> S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.799 110.0 50.1 -68.6 -31.1 84.2 4.0 27.6 71 299 A D H <> S+ 0 0 2 -3,-0.7 4,-3.3 2,-0.2 5,-0.3 0.932 105.7 55.6 -72.6 -47.0 84.7 0.7 29.6 72 300 A Q H X S+ 0 0 36 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.929 112.6 43.9 -39.4 -56.4 82.9 -1.3 26.9 73 301 A I H X S+ 0 0 59 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.900 113.6 49.2 -62.1 -45.7 85.4 0.1 24.3 74 302 A A H X S+ 0 0 11 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.891 113.7 47.0 -64.9 -36.9 88.4 -0.5 26.6 75 303 A L H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.914 115.8 44.9 -69.8 -41.7 87.3 -4.0 27.3 76 304 A L H X S+ 0 0 21 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.853 110.0 56.3 -69.1 -34.5 86.7 -4.7 23.6 77 305 A K H < S+ 0 0 65 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.956 111.9 41.2 -59.9 -54.5 90.0 -3.0 22.7 78 306 A A H < S+ 0 0 20 -4,-1.8 4,-0.5 1,-0.2 3,-0.2 0.905 121.0 38.7 -59.9 -48.5 92.1 -5.3 24.9 79 307 A S H X S+ 0 0 0 -4,-1.8 4,-3.7 1,-0.2 5,-0.3 0.611 87.3 89.5 -91.1 -14.3 90.3 -8.6 24.2 80 308 A T H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.932 96.7 39.6 -46.6 -60.2 89.6 -8.5 20.4 81 309 A I H > S+ 0 0 12 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.876 115.5 53.7 -61.1 -37.5 92.9 -10.0 19.4 82 310 A E H > S+ 0 0 2 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.934 111.4 44.5 -62.9 -43.8 92.7 -12.4 22.4 83 311 A I H X S+ 0 0 6 -4,-3.7 4,-2.6 2,-0.2 -2,-0.2 0.898 112.8 51.5 -67.9 -42.3 89.2 -13.7 21.3 84 312 A M H X S+ 0 0 33 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.907 110.8 49.1 -56.9 -44.3 90.3 -13.9 17.6 85 313 A L H X S+ 0 0 10 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.941 109.5 51.9 -62.3 -46.7 93.3 -16.0 18.7 86 314 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.933 112.7 45.4 -51.3 -51.1 91.0 -18.2 20.8 87 315 A E H X S+ 0 0 23 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.838 106.7 57.4 -65.4 -39.5 88.7 -18.8 17.8 88 316 A T H < S+ 0 0 28 -4,-2.4 4,-0.4 2,-0.2 12,-0.3 0.880 107.4 50.4 -52.6 -42.3 91.5 -19.4 15.4 89 317 A A H >< S+ 0 0 6 -4,-1.8 3,-1.2 -3,-0.2 -2,-0.2 0.918 106.2 54.4 -66.9 -43.4 92.6 -22.2 17.7 90 318 A R H 3< S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 113.7 42.4 -54.0 -37.6 89.1 -23.7 17.8 91 319 A R T 3< S+ 0 0 114 -4,-1.6 9,-0.4 9,-0.1 -1,-0.3 0.343 83.6 131.4 -98.9 2.4 89.1 -23.9 14.0 92 320 A Y < - 0 0 17 -3,-1.2 2,-0.8 -4,-0.4 7,-0.2 -0.342 50.5-142.7 -64.6 132.2 92.7 -25.2 13.5 93 321 A N B >> -A 98 0A 55 5,-2.3 4,-1.8 1,-0.1 5,-0.9 -0.861 12.6-169.8 -97.6 105.2 93.0 -28.2 11.1 94 322 A H T 45S+ 0 0 46 -2,-0.8 -1,-0.1 1,-0.2 5,-0.0 0.745 84.4 50.9 -70.5 -25.3 95.8 -30.3 12.6 95 323 A E T 45S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.903 121.0 33.0 -72.4 -40.7 96.0 -32.6 9.5 96 324 A T T 45S- 0 0 75 2,-0.2 -2,-0.2 12,-0.0 -1,-0.1 0.590 97.9-134.6 -97.3 -14.7 96.4 -29.7 7.1 97 325 A E T <5 + 0 0 93 -4,-1.8 12,-0.4 1,-0.2 2,-0.4 0.780 62.1 127.8 56.3 36.7 98.3 -27.3 9.5 98 326 A C B < -A 93 0A 14 -5,-0.9 -5,-2.3 10,-0.1 2,-0.5 -0.951 63.4-129.0-121.8 135.9 96.1 -24.4 8.5 99 327 A I E -B 107 0B 15 8,-2.2 8,-2.9 -2,-0.4 2,-0.4 -0.718 33.3-147.3 -74.6 129.7 94.0 -21.9 10.4 100 328 A T E +B 106 0B 21 -2,-0.5 6,-0.2 -9,-0.4 -9,-0.1 -0.845 27.1 175.3-102.4 136.7 90.6 -22.1 8.8 101 329 A F S S- 0 0 54 4,-2.9 -1,-0.2 -2,-0.4 5,-0.1 0.752 82.4 -15.2-103.4 -50.2 88.4 -19.0 8.6 102 330 A L S S- 0 0 81 3,-0.9 -2,-0.1 -11,-0.0 4,-0.0 0.484 95.1 -81.5-111.8 -98.3 85.6 -20.6 6.7 103 331 A K S S+ 0 0 158 -3,-0.1 3,-0.1 3,-0.0 0, 0.0 0.412 126.7 30.8-154.8 -45.0 86.0 -23.9 4.8 104 332 A D S S+ 0 0 142 1,-0.1 2,-0.9 -4,-0.0 -4,-0.0 0.319 106.7 84.0 -99.6 -1.3 87.7 -22.9 1.5 105 333 A F + 0 0 78 2,-0.0 -4,-2.9 0, 0.0 -3,-0.9 -0.756 60.3 146.7-104.6 83.2 89.5 -20.1 3.4 106 334 A T E -B 100 0B 49 -2,-0.9 2,-0.4 -6,-0.2 -6,-0.2 -0.943 28.6-159.5-125.0 142.4 92.5 -21.8 5.0 107 335 A Y E -B 99 0B 12 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.2 -0.976 1.8-160.5-132.1 125.5 96.0 -20.3 5.7 108 336 A S > - 0 0 33 -2,-0.4 4,-1.6 -10,-0.2 3,-0.4 -0.453 42.7 -97.1 -86.4 168.8 99.3 -22.0 6.3 109 337 A K H > S+ 0 0 59 -12,-0.4 4,-2.0 1,-0.2 5,-0.2 0.909 126.8 54.3 -48.0 -44.6 102.4 -20.4 7.9 110 338 A D H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 101.0 58.5 -67.6 -33.0 103.7 -19.7 4.5 111 339 A D H > S+ 0 0 26 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.961 109.0 45.1 -58.1 -50.6 100.5 -17.9 3.4 112 340 A F H ><>S+ 0 0 28 -4,-1.6 5,-1.4 1,-0.2 3,-0.8 0.832 110.4 53.5 -59.2 -41.5 101.0 -15.4 6.3 113 341 A H H ><5S+ 0 0 79 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.914 103.9 57.2 -61.3 -42.5 104.7 -15.0 5.5 114 342 A R H 3<5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.657 100.5 59.1 -63.9 -15.0 103.7 -14.1 1.9 115 343 A A T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.290 129.7 -91.4 -94.3 7.2 101.5 -11.3 3.3 116 344 A G T < 5S+ 0 0 1 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.691 80.1 141.3 90.7 22.4 104.5 -9.6 5.0 117 345 A L < - 0 0 17 -5,-1.4 -1,-0.3 -4,-0.2 2,-0.3 -0.741 46.1-123.8 -98.6 149.6 104.3 -11.2 8.4 118 346 A Q >> - 0 0 74 -2,-0.3 3,-2.2 1,-0.1 4,-2.2 -0.653 15.2-124.7 -91.3 147.0 107.3 -12.3 10.5 119 347 A V H 3> S+ 0 0 83 1,-0.3 4,-2.3 -2,-0.3 -1,-0.1 0.766 108.7 71.9 -55.4 -29.5 108.0 -15.8 11.8 120 348 A E H 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.2 90,-0.1 0.697 112.1 28.3 -56.7 -23.8 108.3 -14.2 15.3 121 349 A F H <> S+ 0 0 26 -3,-2.2 4,-1.5 2,-0.1 -2,-0.2 0.764 121.1 50.7-105.5 -42.8 104.5 -13.7 15.1 122 350 A I H X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.868 106.8 54.1 -68.9 -40.0 103.4 -16.6 12.9 123 351 A N H X S+ 0 0 79 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.975 109.6 44.4 -62.3 -56.8 105.2 -19.4 14.8 124 352 A P H > S+ 0 0 46 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.827 112.0 54.0 -58.2 -32.4 103.7 -18.6 18.3 125 353 A I H X S+ 0 0 13 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.868 112.2 44.0 -66.4 -38.0 100.1 -18.2 16.8 126 354 A F H X S+ 0 0 1 -4,-1.7 4,-2.5 -3,-0.3 -1,-0.2 0.850 112.5 51.9 -76.4 -33.0 100.4 -21.7 15.2 127 355 A E H X S+ 0 0 96 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.886 109.3 50.2 -67.8 -40.9 101.9 -23.2 18.3 128 356 A F H X S+ 0 0 13 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.925 111.8 47.8 -61.3 -48.5 99.1 -21.9 20.4 129 357 A S H >X S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.6 0.951 113.3 48.7 -51.9 -54.0 96.5 -23.3 18.0 130 358 A R H >< S+ 0 0 89 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.828 110.9 50.0 -56.0 -39.9 98.3 -26.6 18.0 131 359 A A H 3< S+ 0 0 33 -4,-2.2 4,-0.3 1,-0.2 3,-0.2 0.619 96.7 71.1 -79.5 -11.8 98.5 -26.8 21.8 132 360 A M H XX>S+ 0 0 2 -3,-0.9 4,-0.7 -4,-0.9 3,-0.7 0.752 87.7 62.5 -79.1 -22.1 94.8 -26.0 22.2 133 361 A R G X<5S+ 0 0 144 -3,-0.6 3,-0.6 -4,-0.6 -1,-0.2 0.843 95.5 59.8 -69.5 -33.6 93.7 -29.4 21.0 134 362 A R G 345S+ 0 0 189 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.675 101.7 56.3 -68.3 -18.2 95.5 -31.2 23.9 135 363 A L G <45S- 0 0 3 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.665 93.3-152.9 -87.6 -26.2 93.2 -29.2 26.2 136 364 A G T <<5 - 0 0 46 -4,-0.7 2,-0.1 -3,-0.6 -3,-0.1 0.857 18.3-173.4 59.4 46.6 90.1 -30.5 24.5 137 365 A L < - 0 0 22 -5,-0.5 2,-0.2 1,-0.1 -1,-0.2 -0.452 9.3-147.4 -71.8 143.1 87.7 -27.6 25.3 138 366 A D > - 0 0 47 -2,-0.1 4,-2.6 1,-0.0 3,-0.4 -0.572 35.0 -88.5-102.4 173.5 84.0 -27.9 24.4 139 367 A D H > S+ 0 0 97 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.895 127.0 47.9 -45.4 -57.2 81.5 -25.1 23.3 140 368 A A H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.858 111.9 50.2 -50.9 -44.2 80.6 -24.2 26.9 141 369 A E H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.952 111.6 47.1 -66.8 -48.3 84.2 -24.0 28.0 142 370 A Y H X S+ 0 0 16 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.909 114.8 48.0 -51.6 -48.0 85.2 -21.8 25.0 143 371 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.927 110.9 48.9 -63.9 -47.5 82.2 -19.5 25.7 144 372 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.946 112.7 49.8 -55.2 -48.6 82.9 -19.3 29.4 145 373 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.793 108.3 52.5 -59.2 -38.6 86.5 -18.4 28.6 146 374 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.951 110.5 48.2 -61.2 -52.5 85.4 -15.7 26.1 147 375 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.896 113.1 46.8 -58.3 -43.3 83.2 -14.1 28.7 148 376 A I H < S+ 0 0 9 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.919 109.6 54.5 -68.9 -38.2 86.0 -14.2 31.4 149 377 A N H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.926 109.5 47.5 -55.2 -45.1 88.5 -12.8 28.9 150 378 A I H 3< S+ 0 0 0 -4,-2.3 2,-1.0 1,-0.3 -1,-0.2 0.859 106.2 58.7 -65.2 -41.4 86.2 -9.8 28.1 151 379 A F T 3< S+ 0 0 0 -4,-1.9 2,-0.8 -5,-0.2 -1,-0.3 -0.291 70.9 144.2 -87.1 52.7 85.5 -9.0 31.8 152 380 A S X - 0 0 4 -2,-1.0 3,-1.5 -3,-0.6 13,-0.1 -0.813 36.4-160.6 -96.1 106.3 89.2 -8.5 32.7 153 381 A A T 3 S+ 0 0 22 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.719 81.5 61.9 -58.4 -27.1 89.4 -5.7 35.3 154 382 A D T 3 S+ 0 0 117 3,-0.1 -1,-0.3 7,-0.1 3,-0.1 0.315 71.2 125.4 -92.5 9.3 93.1 -4.9 34.7 155 383 A R S X S- 0 0 15 -3,-1.5 3,-1.5 1,-0.1 -80,-0.1 -0.331 74.7 -82.9 -64.0 146.8 92.9 -3.8 31.0 156 384 A P T 3 S+ 0 0 97 0, 0.0 -78,-0.2 0, 0.0 -1,-0.1 -0.215 110.6 9.7 -45.4 133.8 94.3 -0.3 30.1 157 385 A N T 3 S+ 0 0 131 1,-0.2 2,-0.5 -3,-0.1 -83,-0.2 0.543 79.1 154.7 67.9 15.1 91.8 2.6 30.7 158 386 A V < - 0 0 19 -3,-1.5 -1,-0.2 1,-0.2 -87,-0.1 -0.649 21.4-173.3 -70.6 120.9 89.2 0.6 32.6 159 387 A Q S S+ 0 0 134 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.0 0.579 77.4 39.8 -91.0 -16.2 87.4 3.2 34.8 160 388 A E > + 0 0 78 1,-0.1 4,-1.8 -92,-0.1 3,-0.5 -0.454 64.2 157.3-131.7 65.1 85.2 0.8 36.8 161 389 A P H > S+ 0 0 63 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.814 72.6 55.6 -65.7 -33.3 87.4 -2.2 37.6 162 390 A G H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.864 109.0 48.4 -64.7 -38.5 85.4 -3.4 40.6 163 391 A R H > S+ 0 0 103 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.877 111.9 50.0 -65.2 -39.5 82.3 -3.6 38.5 164 392 A V H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.938 111.5 47.1 -68.5 -47.7 84.2 -5.5 35.8 165 393 A E H X S+ 0 0 86 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.856 108.6 55.0 -55.9 -43.6 85.6 -8.0 38.3 166 394 A A H < S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.899 109.8 47.8 -59.9 -39.7 82.1 -8.5 39.9 167 395 A L H < S+ 0 0 46 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.787 112.3 50.5 -68.8 -29.1 80.8 -9.4 36.5 168 396 A Q H >X S+ 0 0 27 -4,-1.3 4,-1.9 -17,-0.2 3,-1.3 0.846 94.2 72.6 -75.3 -38.5 83.7 -11.8 35.8 169 397 A Q H 3X S+ 0 0 101 -4,-2.0 4,-2.9 1,-0.3 5,-0.3 0.887 91.1 52.2 -55.2 -52.0 83.5 -13.8 39.0 170 398 A P H 3> S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.791 112.3 50.5 -56.7 -25.7 80.3 -15.9 38.3 171 399 A Y H <> S+ 0 0 14 -3,-1.3 4,-2.4 -4,-0.3 -2,-0.2 0.881 111.0 45.5 -78.2 -42.8 82.0 -16.9 35.0 172 400 A V H X S+ 0 0 42 -4,-1.9 4,-2.3 2,-0.2 -3,-0.1 0.907 115.5 49.5 -61.5 -43.3 85.3 -18.0 36.5 173 401 A E H X S+ 0 0 100 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.894 111.0 48.5 -64.1 -41.3 83.2 -19.8 39.2 174 402 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 -2,-0.2 0.944 111.5 49.9 -63.8 -47.3 81.1 -21.6 36.6 175 403 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.906 108.7 52.8 -57.8 -45.4 84.1 -22.6 34.6 176 404 A L H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.941 114.0 41.2 -56.3 -52.6 85.8 -24.0 37.7 177 405 A S H X S+ 0 0 30 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.823 112.1 56.0 -66.9 -36.2 82.8 -26.2 38.6 178 406 A Y H X S+ 0 0 43 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.941 109.0 46.6 -62.5 -45.1 82.2 -27.2 35.0 179 407 A T H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 7,-0.2 0.878 111.5 52.0 -62.8 -38.1 85.8 -28.5 34.7 180 408 A R H < S+ 0 0 130 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.840 114.5 43.0 -68.1 -36.0 85.5 -30.4 38.1 181 409 A I H < S+ 0 0 80 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.948 118.9 42.0 -68.5 -54.3 82.3 -32.1 36.9 182 410 A K H < S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.914 132.9 18.7 -63.8 -47.3 83.5 -32.9 33.4 183 411 A R >< + 0 0 123 -4,-2.5 3,-2.4 -5,-0.2 -1,-0.3 -0.503 65.6 165.8-125.4 65.7 87.0 -34.1 34.3 184 412 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.769 81.9 51.1 -50.7 -32.6 87.0 -34.9 38.1 185 413 A Q T 3 S+ 0 0 175 1,-0.2 2,-0.9 -3,-0.1 3,-0.1 0.576 94.8 77.5 -80.4 -12.2 90.4 -36.7 37.6 186 414 A D X + 0 0 47 -3,-2.4 3,-1.5 -7,-0.2 4,-0.4 -0.640 47.9 161.9-105.5 76.7 92.0 -33.8 35.8 187 415 A Q T 3 S+ 0 0 132 -2,-0.9 -1,-0.2 1,-0.3 -7,-0.1 0.482 74.0 60.6 -76.9 -3.3 92.9 -31.3 38.5 188 416 A L T 3> S+ 0 0 122 2,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.499 81.8 87.7 -94.1 -7.9 95.4 -29.5 36.2 189 417 A R H <> S+ 0 0 7 -3,-1.5 4,-1.6 2,-0.2 -2,-0.1 0.940 87.2 45.5 -60.9 -51.4 92.6 -28.7 33.7 190 418 A F H > S+ 0 0 35 -4,-0.4 4,-2.0 1,-0.2 3,-0.3 0.928 113.6 48.6 -62.2 -49.5 91.5 -25.4 35.3 191 419 A P H > S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.859 108.1 56.3 -54.7 -38.8 95.1 -24.1 35.8 192 420 A R H X S+ 0 0 48 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.828 106.3 51.7 -59.3 -34.3 95.8 -25.0 32.1 193 421 A M H X S+ 0 0 0 -4,-1.6 4,-1.4 -3,-0.3 3,-0.3 0.919 108.8 48.2 -70.2 -38.6 92.9 -22.8 31.2 194 422 A L H X S+ 0 0 77 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.821 106.5 59.5 -67.6 -31.7 94.4 -20.0 33.2 195 423 A M H X S+ 0 0 125 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.826 101.7 52.8 -65.1 -35.0 97.7 -20.6 31.4 196 424 A K H X S+ 0 0 35 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.907 104.4 56.0 -67.6 -41.1 96.1 -20.0 28.1 197 425 A L H X S+ 0 0 22 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.912 108.8 47.2 -54.6 -45.9 94.7 -16.6 29.3 198 426 A V H X S+ 0 0 87 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.882 110.0 53.0 -66.0 -36.6 98.3 -15.6 30.2 199 427 A S H X S+ 0 0 44 -4,-1.9 4,-2.6 1,-0.2 3,-0.3 0.878 103.3 58.5 -59.9 -40.6 99.5 -16.9 26.7 200 428 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.876 102.9 52.3 -58.3 -39.7 96.9 -14.7 25.1 201 429 A R H X S+ 0 0 90 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.803 110.6 47.8 -68.8 -29.6 98.4 -11.6 26.8 202 430 A T H X S+ 0 0 88 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.926 114.7 45.3 -69.6 -47.6 101.8 -12.5 25.4 203 431 A L H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.711 108.5 56.7 -70.2 -25.8 100.4 -13.1 21.9 204 432 A S H X S+ 0 0 29 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.859 109.5 47.1 -69.7 -36.1 98.4 -9.9 22.1 205 433 A S H X S+ 0 0 61 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.899 111.7 48.1 -72.3 -45.3 101.6 -8.1 22.7 206 434 A V H X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.845 109.3 55.2 -63.0 -37.7 103.5 -9.8 19.9 207 435 A H H X S+ 0 0 21 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.900 104.1 55.6 -59.2 -39.7 100.6 -9.0 17.6 208 436 A S H X S+ 0 0 49 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.841 109.8 43.6 -63.9 -38.6 101.0 -5.3 18.5 209 437 A E H X S+ 0 0 104 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.797 108.3 58.3 -81.6 -28.8 104.6 -5.1 17.5 210 438 A Q H X S+ 0 0 12 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.814 108.7 48.1 -59.7 -35.0 103.8 -7.1 14.3 211 439 A V H X S+ 0 0 7 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.904 112.2 47.7 -73.7 -42.3 101.4 -4.3 13.6 212 440 A F H X S+ 0 0 110 -4,-1.8 4,-1.3 2,-0.2 3,-0.3 0.925 111.0 49.9 -59.9 -49.3 104.0 -1.6 14.3 213 441 A A H X S+ 0 0 30 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.851 107.1 56.0 -61.6 -34.1 106.7 -3.3 12.2 214 442 A L H <>S+ 0 0 9 -4,-1.2 5,-3.0 1,-0.2 3,-0.5 0.849 102.5 55.8 -67.7 -34.9 104.2 -3.5 9.4 215 443 A R H ><5S+ 0 0 102 -4,-1.3 3,-1.5 -3,-0.3 -1,-0.2 0.856 103.2 55.1 -61.8 -34.1 103.8 0.2 9.6 216 444 A L H 3<5S+ 0 0 133 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.700 104.7 52.8 -72.6 -21.7 107.6 0.5 9.1 217 445 A Q T 3<5S- 0 0 82 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.177 125.2-108.7 -89.7 11.6 107.2 -1.4 5.9 218 446 A D T < 5S+ 0 0 137 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.749 74.4 139.6 61.9 28.4 104.5 1.1 5.0 219 447 A K < - 0 0 22 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.894 34.5-163.9-103.8 111.1 101.6 -1.3 5.4 220 448 A K - 0 0 99 -2,-0.7 6,-0.0 -3,-0.1 -5,-0.0 -0.786 15.2-128.3-102.6 135.2 98.6 0.5 7.1 221 449 A L - 0 0 15 -2,-0.4 -180,-0.0 1,-0.1 -1,-0.0 -0.464 37.9 -98.2 -68.2 147.2 95.6 -1.1 8.7 222 450 A P >> - 0 0 33 0, 0.0 4,-2.6 0, 0.0 3,-1.2 -0.370 45.4 -96.0 -62.8 149.3 92.2 0.1 7.6 223 451 A P H 3> S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.757 121.0 52.7 -38.7 -49.5 90.6 2.8 9.9 224 452 A L H 3> S+ 0 0 99 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.863 117.7 35.9 -60.3 -41.7 88.5 0.3 12.0 225 453 A L H <> S+ 0 0 1 -3,-1.2 4,-2.7 2,-0.2 3,-0.4 0.855 111.5 64.3 -77.4 -38.2 91.4 -2.0 12.9 226 454 A S H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.882 99.1 50.5 -51.5 -48.8 93.7 1.0 13.1 227 455 A E H < S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 114.6 46.5 -67.0 -26.9 91.9 2.5 16.1 228 456 A I H < S+ 0 0 40 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.935 128.2 18.2 -70.3 -48.3 92.1 -0.8 17.9 229 457 A W H < S+ 0 0 20 -4,-2.7 -3,-0.2 -18,-0.0 -2,-0.2 0.631 89.9 99.7-115.0 -17.1 95.7 -1.7 17.2 230 458 A D < - 0 0 28 -4,-2.4 -22,-0.0 -5,-0.3 -18,-0.0 -0.409 52.2-151.9 -69.6 150.9 98.0 1.2 16.2 231 459 A V + 0 0 86 -23,-0.1 -1,-0.1 -2,-0.1 -23,-0.0 0.949 24.3 168.3 -86.9 -60.9 100.3 2.8 18.9 232 460 A H 0 0 149 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.693 360.0 360.0 43.1 140.0 100.9 6.5 17.9 233 461 A E 0 0 155 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.713 360.0 360.0 -58.1 360.0 102.5 8.9 20.5