==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 26-AUG-10 3OLF . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.G.RUDOLPH . 482 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 74.1 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 2 0 4 0 2 0 2 0 2 1 0 0 0 0 2 0 4 1 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 247 A M 0 0 105 0, 0.0 2,-0.1 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 -60.7 -4.6 25.1 -29.0 2 248 A E - 0 0 149 1,-0.1 2,-0.4 177,-0.0 174,-0.1 -0.405 360.0 -86.8 -87.1 165.0 -6.7 22.9 -26.5 3 249 A L - 0 0 21 -2,-0.1 -1,-0.1 172,-0.1 169,-0.0 -0.587 43.7-140.4 -75.7 125.7 -5.6 19.8 -24.5 4 250 A T > - 0 0 58 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.219 27.9 -98.8 -75.8 170.6 -6.1 16.6 -26.5 5 251 A P H > S+ 0 0 101 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.890 125.5 48.6 -57.6 -44.9 -7.4 13.3 -25.0 6 252 A D H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.905 113.5 48.5 -62.1 -40.2 -3.8 11.9 -24.7 7 253 A Q H > S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.897 108.8 52.0 -69.1 -39.9 -2.7 15.2 -23.1 8 254 A Q H X S+ 0 0 91 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.889 111.2 49.0 -61.9 -39.5 -5.6 15.2 -20.6 9 255 A T H X S+ 0 0 99 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 112.2 48.0 -65.2 -47.7 -4.7 11.6 -19.6 10 256 A L H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.944 112.7 48.4 -56.6 -52.1 -1.0 12.5 -19.1 11 257 A L H X S+ 0 0 12 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.924 113.4 45.1 -57.5 -51.7 -1.8 15.6 -17.0 12 258 A H H X S+ 0 0 113 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.877 113.6 50.9 -62.7 -36.4 -4.3 13.8 -14.7 13 259 A F H X S+ 0 0 69 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.882 111.9 46.9 -66.6 -39.3 -1.9 10.9 -14.3 14 260 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 112.7 50.8 -66.0 -44.7 1.0 13.3 -13.5 15 261 A M H X S+ 0 0 11 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.880 107.2 53.2 -59.3 -44.1 -1.3 15.2 -11.0 16 262 A D H < S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 114.4 41.3 -56.5 -49.9 -2.3 11.9 -9.3 17 263 A S H >< S+ 0 0 8 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.848 112.1 54.3 -69.4 -37.0 1.3 10.9 -8.7 18 264 A Y H >< S+ 0 0 7 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.878 100.9 63.4 -65.4 -33.3 2.4 14.5 -7.7 19 265 A N T 3< S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.472 78.6 82.8 -68.6 -5.7 -0.4 14.4 -5.1 20 266 A K T < S+ 0 0 142 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.2 0.227 74.7 114.8 -82.8 14.8 1.2 11.5 -3.2 21 267 A Q S < S- 0 0 24 -3,-0.8 31,-0.0 1,-0.1 -3,-0.0 -0.551 83.9 -86.4 -90.5 156.0 3.4 14.1 -1.5 22 268 A R - 0 0 67 -2,-0.2 -1,-0.1 1,-0.1 5,-0.0 -0.321 60.6-104.7 -52.9 122.7 3.6 15.3 2.1 23 269 A M >> - 0 0 116 1,-0.1 4,-0.8 -3,-0.1 3,-0.7 -0.386 23.4-128.0 -59.4 133.8 0.8 17.9 2.3 24 270 A P H >> S+ 0 0 15 0, 0.0 4,-1.6 0, 0.0 3,-1.1 0.880 101.9 61.9 -45.4 -55.2 2.2 21.4 2.4 25 271 A Q H 3> S+ 0 0 132 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.814 96.8 60.5 -45.0 -42.3 0.4 22.7 5.5 26 272 A E H <> S+ 0 0 127 -3,-0.7 4,-1.5 1,-0.2 -1,-0.3 0.882 107.6 44.2 -54.8 -45.2 2.1 20.0 7.7 27 273 A I H - 0 0 56 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.411 37.9-104.9 -76.2 160.9 17.5 25.7 17.3 38 284 A A H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.850 124.4 53.1 -54.2 -32.7 19.8 25.4 14.3 39 285 A E H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.889 108.0 46.6 -69.4 -45.6 20.4 21.8 15.5 40 286 A E H > S+ 0 0 102 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.876 113.8 51.3 -64.7 -36.2 16.7 20.9 15.6 41 287 A N H X S+ 0 0 27 -4,-2.4 4,-2.8 72,-0.2 -2,-0.2 0.827 104.4 54.6 -70.7 -35.4 16.3 22.5 12.1 42 288 A F H X S+ 0 0 11 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.920 111.6 46.5 -66.1 -38.1 19.2 20.6 10.6 43 289 A L H X S+ 0 0 117 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.844 110.2 51.4 -70.9 -36.1 17.4 17.4 11.7 44 290 A I H X S+ 0 0 39 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.948 111.8 50.0 -64.1 -44.2 14.0 18.5 10.4 45 291 A L H X S+ 0 0 39 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.908 110.3 47.4 -60.3 -46.3 15.8 19.2 7.1 46 292 A T H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 114.9 46.4 -65.9 -38.5 17.5 15.8 6.9 47 293 A E H X S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 115.7 45.2 -65.1 -48.6 14.2 13.9 7.7 48 294 A M H X S+ 0 0 46 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.869 114.9 48.4 -60.8 -42.7 12.2 16.0 5.2 49 295 A A H X S+ 0 0 4 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.834 110.0 51.2 -71.7 -33.2 14.8 15.6 2.5 50 296 A T H X S+ 0 0 21 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.915 112.6 45.7 -68.6 -44.4 15.1 11.8 3.0 51 297 A N H X S+ 0 0 38 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.916 111.5 54.0 -63.9 -40.9 11.3 11.4 2.7 52 298 A H H X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.891 106.8 50.6 -59.9 -41.4 11.3 13.7 -0.4 53 299 A V H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.923 110.5 49.8 -63.9 -42.3 14.0 11.6 -2.1 54 300 A Q H X S+ 0 0 88 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.936 113.4 45.0 -61.0 -44.1 11.9 8.5 -1.5 55 301 A V H X S+ 0 0 25 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.865 110.7 55.2 -66.8 -38.9 8.7 10.2 -2.9 56 302 A L H X S+ 0 0 6 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.900 104.7 52.4 -62.4 -42.7 10.7 11.6 -5.9 57 303 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.951 112.6 45.8 -58.6 -46.6 11.9 8.0 -6.8 58 304 A E H X S+ 0 0 79 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.921 114.5 47.5 -62.6 -44.0 8.2 6.8 -6.8 59 305 A F H >< S+ 0 0 14 -4,-2.8 3,-0.5 1,-0.2 4,-0.4 0.909 113.7 48.4 -58.8 -48.0 7.1 9.8 -8.8 60 306 A T H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.870 104.5 58.6 -61.7 -43.6 9.9 9.3 -11.3 61 307 A K H 3< S+ 0 0 34 -4,-2.6 6,-0.3 1,-0.3 -1,-0.2 0.778 105.7 52.1 -59.5 -25.2 9.2 5.6 -11.7 62 308 A K T << S+ 0 0 101 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.555 77.9 113.3 -87.8 -13.1 5.7 6.5 -12.9 63 309 A L S X S- 0 0 3 -3,-1.3 3,-2.3 -4,-0.4 4,-0.5 -0.482 86.3 -97.8 -63.0 122.3 6.8 9.0 -15.5 64 310 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.222 105.2 4.2 -45.3 121.7 5.7 7.4 -18.9 65 311 A G T >> S+ 0 0 26 -4,-0.1 3,-1.1 -3,-0.1 4,-0.6 0.145 93.0 113.5 90.0 -20.0 8.7 5.6 -20.4 66 312 A F G X4 S+ 0 0 0 -3,-2.3 3,-1.3 1,-0.2 -5,-0.1 0.892 77.1 55.5 -50.8 -42.6 11.2 6.3 -17.5 67 313 A Q G 34 S+ 0 0 104 -4,-0.5 -1,-0.2 -6,-0.3 7,-0.1 0.796 101.3 58.0 -59.3 -33.0 11.2 2.5 -16.8 68 314 A T G <4 S+ 0 0 121 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.572 86.4 103.7 -74.9 -14.3 12.3 1.7 -20.4 69 315 A L S << S- 0 0 10 -3,-1.3 5,-0.1 -4,-0.6 -4,-0.0 -0.384 91.2 -85.7 -69.2 152.7 15.4 3.8 -20.1 70 316 A D > - 0 0 77 1,-0.1 4,-2.2 88,-0.1 3,-0.4 -0.318 41.7-122.6 -54.1 131.9 18.9 2.3 -19.6 71 317 A H H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.791 109.5 51.2 -48.8 -43.7 19.3 1.6 -15.9 72 318 A E H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 110.6 48.8 -66.6 -37.1 22.5 3.7 -15.6 73 319 A D H > S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.887 106.2 57.8 -67.2 -39.7 20.8 6.7 -17.3 74 320 A Q H X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.892 109.1 45.8 -55.8 -43.0 17.9 6.2 -14.9 75 321 A I H X S+ 0 0 8 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.922 110.4 52.3 -64.4 -49.1 20.3 6.7 -12.0 76 322 A A H X S+ 0 0 13 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.843 110.2 50.1 -56.8 -36.9 22.0 9.7 -13.6 77 323 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.923 114.1 42.5 -67.2 -49.1 18.6 11.4 -14.1 78 324 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.5 0.942 118.2 45.8 -61.8 -50.6 17.5 10.9 -10.4 79 325 A K H < S+ 0 0 43 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.833 113.7 49.7 -61.3 -40.6 20.9 11.9 -9.0 80 326 A G H < S+ 0 0 21 -4,-1.9 4,-0.2 -5,-0.3 -1,-0.2 0.721 119.6 35.4 -74.5 -21.5 21.1 14.9 -11.4 81 327 A S H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.5 5,-0.2 0.594 89.2 90.1-108.4 -15.9 17.6 16.3 -10.5 82 328 A A H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -3,-0.1 0.856 91.0 44.5 -54.2 -44.4 17.1 15.5 -6.8 83 329 A V H > S+ 0 0 6 -4,-0.4 4,-2.2 143,-0.2 -1,-0.2 0.935 116.2 47.5 -65.7 -47.8 18.5 18.8 -5.3 84 330 A E H > S+ 0 0 2 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.896 111.1 50.9 -59.3 -44.2 16.7 20.9 -7.9 85 331 A A H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.922 109.1 52.0 -62.7 -43.2 13.3 19.1 -7.3 86 332 A M H X S+ 0 0 23 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.931 112.5 43.9 -58.2 -49.2 13.7 19.6 -3.6 87 333 A F H X S+ 0 0 18 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.853 113.2 51.8 -65.9 -36.4 14.3 23.4 -4.0 88 334 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.927 112.1 46.4 -66.6 -40.8 11.4 23.6 -6.6 89 335 A R H X S+ 0 0 23 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.913 112.6 49.5 -63.8 -42.5 9.1 21.8 -4.0 90 336 A S H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.924 110.4 52.1 -64.4 -38.0 10.4 24.2 -1.2 91 337 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.922 107.7 52.2 -61.9 -43.3 9.7 27.1 -3.6 92 338 A E H < S+ 0 0 11 -4,-2.4 3,-0.3 1,-0.2 4,-0.2 0.929 112.9 43.0 -56.9 -52.7 6.1 25.8 -4.1 93 339 A I H >< S+ 0 0 17 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.887 109.2 58.5 -62.6 -42.5 5.4 25.6 -0.4 94 340 A F H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 109.1 44.3 -57.0 -39.4 7.0 29.0 0.3 95 341 A N T 3< S+ 0 0 58 -4,-1.7 -1,-0.3 -3,-0.3 2,-0.2 0.326 82.5 120.6 -92.2 7.4 4.6 30.8 -2.1 96 342 A K S < S- 0 0 88 -3,-1.4 -3,-0.0 -4,-0.2 35,-0.0 -0.553 77.1 -99.7 -71.3 132.4 1.4 29.1 -0.9 97 343 A K + 0 0 204 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.1 -0.298 49.9 179.5 -56.8 131.6 -1.1 31.7 0.4 98 344 A L - 0 0 44 1,-0.1 5,-0.2 -3,-0.1 3,-0.1 -0.892 36.7 -75.2-128.0 163.1 -1.1 31.9 4.2 99 345 A P S >> S- 0 0 79 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.125 77.6 -63.7 -52.4 155.3 -3.0 34.0 6.8 100 346 A S T 34 S+ 0 0 124 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.103 122.3 3.1 -46.8 130.9 -1.9 37.6 7.1 101 347 A G T 3> S+ 0 0 43 -3,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.241 100.9 107.0 75.6 -13.3 1.8 38.0 8.3 102 348 A H H <> S+ 0 0 80 -3,-2.1 4,-2.6 1,-0.2 -2,-0.1 0.876 78.2 49.9 -64.0 -39.1 2.3 34.2 8.4 103 349 A S H X S+ 0 0 43 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.805 108.3 54.2 -70.0 -29.3 4.5 34.2 5.2 104 350 A D H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 112.4 44.0 -66.1 -42.4 6.5 37.0 6.9 105 351 A L H X S+ 0 0 52 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.875 111.4 53.3 -70.8 -37.9 7.0 34.7 9.9 106 352 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.953 111.3 45.8 -62.3 -45.7 7.7 31.7 7.7 107 353 A E H X S+ 0 0 40 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.899 112.2 51.8 -62.7 -41.9 10.4 33.6 5.9 108 354 A A H X S+ 0 0 21 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.916 110.2 49.0 -60.3 -46.1 11.9 34.9 9.2 109 355 A R H < S+ 0 0 24 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.894 113.9 44.7 -60.5 -46.6 12.0 31.3 10.7 110 356 A I H >< S+ 0 0 35 -4,-2.1 3,-1.8 1,-0.2 5,-0.4 0.906 109.9 54.9 -65.2 -45.9 13.8 29.9 7.6 111 357 A R H 3< S+ 0 0 94 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.787 116.4 39.5 -56.2 -32.7 16.2 32.9 7.4 112 358 A N T 3< S+ 0 0 85 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.161 86.4 104.4-105.5 17.1 17.1 32.1 11.0 113 359 A S S < S- 0 0 11 -3,-1.8 -72,-0.2 -72,-0.1 -1,-0.1 0.637 102.7 -87.4 -72.6 -24.2 17.1 28.2 10.7 114 360 A G S S+ 0 0 7 1,-0.4 99,-2.5 -3,-0.3 -3,-0.1 0.126 83.8 131.9 135.2 -20.3 20.9 27.7 10.7 115 361 A I - 0 0 11 -5,-0.4 -1,-0.4 97,-0.2 97,-0.1 -0.314 66.9-100.0 -59.7 144.6 21.8 28.2 7.0 116 362 A S >> - 0 0 10 92,-0.4 3,-1.7 1,-0.1 4,-0.7 -0.410 24.3-121.6 -66.4 143.6 24.8 30.5 6.5 117 363 A D H >> S+ 0 0 76 1,-0.3 4,-1.0 2,-0.2 3,-0.7 0.806 109.1 73.2 -57.3 -28.0 23.8 34.1 5.4 118 364 A E H 34 S+ 0 0 141 1,-0.2 -1,-0.3 2,-0.2 90,-0.1 0.817 106.7 34.7 -51.8 -36.0 26.0 33.5 2.2 119 365 A Y H <> S+ 0 0 24 -3,-1.7 4,-1.5 2,-0.1 -1,-0.2 0.520 99.6 79.5-100.6 -11.5 23.2 31.2 0.9 120 366 A I H S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 114.5 50.1 -53.9 -39.2 20.3 33.3 -3.4 123 369 A M H X S+ 0 0 14 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.937 114.7 39.2 -65.9 -52.6 17.6 31.0 -1.9 124 370 A F H X 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-1,-0.1 -78,-0.2 3,-0.1 -0.565 108.5 13.4 -76.5 135.6 25.8 14.6 -16.7 155 401 A Y T 3 S+ 0 0 182 1,-0.3 2,-0.6 -2,-0.3 -1,-0.2 0.647 82.4 147.1 75.5 19.5 26.7 11.0 -17.6 156 402 A I < - 0 0 14 -3,-1.1 -1,-0.3 1,-0.2 3,-0.2 -0.778 26.1-174.2 -81.9 123.9 23.5 10.6 -19.6 157 403 A K S S+ 0 0 135 -2,-0.6 2,-0.9 1,-0.2 -1,-0.2 0.914 73.7 41.1 -86.7 -48.5 24.6 8.2 -22.3 158 404 A D > + 0 0 81 1,-0.2 4,-1.0 -88,-0.1 3,-0.3 -0.738 63.0 167.6-105.4 88.0 21.5 8.2 -24.4 159 405 A R H > S+ 0 0 121 -2,-0.9 4,-2.2 -3,-0.2 -1,-0.2 0.786 71.8 59.9 -68.8 -33.1 20.2 11.8 -24.6 160 406 A E H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 99.9 55.4 -66.2 -38.5 17.7 11.2 -27.4 161 407 A A H > S+ 0 0 20 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.881 111.7 45.3 -60.2 -37.7 15.7 8.6 -25.4 162 408 A V H >X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 3,-0.5 0.894 108.7 55.3 -74.2 -39.0 15.3 11.2 -22.6 163 409 A E H 3X S+ 0 0 84 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.929 104.6 55.0 -59.6 -42.4 14.4 14.0 -25.1 164 410 A K H 3< S+ 0 0 103 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0 74 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.882 109.9 49.4 -59.4 -42.4 3.1 25.0 -23.1 175 421 A K H < S+ 0 0 27 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.921 110.3 51.6 -63.9 -42.8 -0.6 24.4 -23.9 176 422 A L H >X S+ 0 0 30 -4,-2.3 4,-3.2 1,-0.2 3,-1.2 0.873 109.4 49.6 -60.2 -41.5 -1.6 25.1 -20.3 177 423 A C H 3X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.3 7,-0.2 0.886 104.4 58.0 -63.6 -42.6 0.4 28.4 -20.2 178 424 A K H 3< S+ 0 0 119 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.389 118.8 34.3 -68.4 3.3 -1.2 29.5 -23.5 179 425 A I H <4 S+ 0 0 79 -3,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.683 113.5 50.2-122.0 -54.7 -4.5 29.1 -21.6 180 426 A H H < S+ 0 0 85 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.614 130.7 20.9 -67.0 -12.7 -4.0 30.0 -17.9 181 427 A Q >< + 0 0 25 -4,-1.4 3,-2.8 -5,-0.2 6,-0.3 -0.330 62.0 153.5-152.3 60.1 -2.3 33.3 -19.0 182 428 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 0.798 82.3 65.9 -59.7 -21.0 -3.3 34.3 -22.6 183 429 A E T 3 S+ 0 0 149 1,-0.2 -5,-0.1 -4,-0.1 -3,-0.0 0.564 102.4 47.3 -70.8 -19.2 -2.5 37.7 -21.1 184 430 A N X + 0 0 57 -3,-2.8 3,-1.8 -7,-0.2 4,-0.3 -0.770 60.1 177.8-133.5 87.4 1.2 36.6 -20.8 185 431 A P T 3 S+ 0 0 111 0, 0.0 4,-0.2 0, 0.0 -7,-0.1 0.200 84.9 59.2 -71.1 13.7 2.4 35.0 -24.0 186 432 A Q T 3> S+ 0 0 109 -5,-0.2 4,-2.9 2,-0.1 3,-0.3 0.550 73.2 96.8-115.2 -19.3 5.8 34.8 -22.3 187 433 A H H <> S+ 0 0 1 -3,-1.8 4,-2.6 -6,-0.3 5,-0.2 0.824 83.8 51.2 -41.7 -50.2 4.6 32.7 -19.3 188 434 A F H > S+ 0 0 36 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.945 115.4 40.8 -56.3 -52.3 5.8 29.4 -20.9 189 435 A A H > S+ 0 0 59 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.869 112.6 56.1 -64.7 -36.4 9.3 30.8 -21.6 190 436 A C H X S+ 0 0 34 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.920 108.0 48.6 -59.4 -46.2 9.4 32.6 -18.2 191 437 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.924 112.7 48.1 -58.7 -48.5 8.8 29.1 -16.5 192 438 A L H >< S+ 0 0 55 -4,-2.2 3,-1.2 1,-0.2 4,-0.5 0.873 104.8 59.4 -62.2 -35.7 11.5 27.6 -18.6 193 439 A G H >X S+ 0 0 43 -4,-2.5 3,-1.3 1,-0.3 4,-0.7 0.850 95.9 62.9 -61.9 -35.2 14.0 30.4 -17.8 194 440 A R H 3X 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34 -2,-0.4 2,-0.5 -3,-0.1 13,-0.1 -0.832 21.2 176.3-115.8 87.3 26.6 17.4 10.1 218 464 A K - 0 0 141 -2,-0.7 2,-0.2 12,-0.0 -172,-0.1 -0.853 2.8-179.7 -96.4 126.1 25.0 14.0 10.2 219 465 A F - 0 0 17 -2,-0.5 -173,-0.0 -173,-0.0 -176,-0.0 -0.557 29.2-105.6-111.3 178.1 23.2 12.8 7.0 220 466 A T > - 0 0 41 -2,-0.2 4,-2.8 -174,-0.1 5,-0.2 -0.722 33.2-107.1-100.6 159.3 21.3 9.6 6.2 221 467 A P H > S+ 0 0 100 0, 0.0 4,-1.3 0, 0.0 14,-0.1 0.884 122.2 48.4 -50.9 -42.6 22.8 6.8 4.0 222 468 A L H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.914 111.3 49.1 -64.3 -45.2 20.3 7.8 1.2 223 469 A L H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.897 106.9 56.8 -63.6 -37.3 21.1 11.5 1.5 224 470 A C H X>S+ 0 0 31 -4,-2.8 4,-1.1 1,-0.2 5,-0.6 0.839 108.9 47.1 -60.8 -34.4 24.8 10.7 1.3 225 471 A E H <5S+ 0 0 31 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.892 121.5 34.3 -72.1 -44.8 24.2 8.9 -2.1 226 472 A I H <5S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.1 -143,-0.2 0.772 124.4 40.1 -83.2 -31.4 22.2 11.7 -3.6 227 473 A W H <5S- 0 0 7 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.601 93.8-127.1 -96.7 -16.0 23.9 14.7 -2.0 228 474 A D T <5 + 0 0 95 -4,-1.1 2,-0.3 -5,-0.4 -4,-0.1 0.992 63.8 128.9 65.9 54.5 27.6 13.9 -2.1 229 475 A V < 0 0 14 -5,-0.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.874 360.0 360.0-133.6 163.6 28.2 14.6 1.6 230 476 A Q 0 0 159 -2,-0.3 -12,-0.0 -3,-0.1 0, 0.0 -0.242 360.0 360.0 56.0 360.0 29.9 12.4 4.2 231 !* 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 0.0 232 745 B D 0 0 157 0, 0.0 5,-0.1 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 -37.7 27.9 3.5 -5.6 233 746 B H > + 0 0 46 3,-0.1 4,-3.1 1,-0.1 5,-0.2 0.768 360.0 151.8 62.0 28.4 24.2 4.5 -5.5 234 747 B Q H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.900 72.1 45.1 -52.4 -48.9 23.3 1.1 -4.0 235 748 B L H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.927 114.7 47.2 -64.8 -45.7 20.3 2.5 -2.2 236 749 B L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 112.7 49.0 -62.9 -44.2 19.1 4.5 -5.2 237 750 B R H X S+ 0 0 74 -4,-3.1 4,-1.8 2,-0.2 5,-0.3 0.891 111.8 51.8 -62.5 -40.9 19.5 1.4 -7.5 238 751 B Y H X S+ 0 0 147 -4,-2.2 4,-2.6 -5,-0.2 3,-0.4 0.957 110.7 45.3 -59.5 -55.4 17.6 -0.6 -4.9 239 752 B L H < S+ 0 0 29 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.837 113.8 51.4 -56.9 -36.8 14.7 1.9 -4.8 240 753 B L H < S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.813 123.6 26.8 -71.1 -33.7 14.6 2.1 -8.6 241 754 B D H < 0 0 85 -4,-1.8 -2,-0.2 -3,-0.4 -3,-0.2 0.912 360.0 360.0 -93.7 -56.9 14.5 -1.7 -9.1 242 755 B K < 0 0 141 -4,-2.6 -3,-0.1 -5,-0.3 -4,-0.1 0.630 360.0 360.0 46.0 360.0 12.8 -3.0 -5.9 243 !* 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 0.0 244 247 C M 0 0 91 0, 0.0 178,-0.2 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 155.6 24.9 37.7 13.4 245 248 C E - 0 0 114 1,-0.1 2,-0.1 176,-0.1 174,-0.1 -0.292 360.0 -90.3 -74.5 162.8 26.5 35.8 16.3 246 249 C L - 0 0 30 1,-0.1 -1,-0.1 172,-0.1 169,-0.0 -0.442 37.7-126.1 -69.2 143.3 29.0 37.3 18.7 247 250 C T > - 0 0 59 -2,-0.1 4,-2.6 1,-0.1 3,-0.3 -0.542 28.8-105.9 -82.3 159.7 32.7 37.0 17.8 248 251 C P H > S+ 0 0 111 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.901 124.5 50.2 -50.9 -41.6 35.1 35.5 20.4 249 252 C D H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.883 110.3 48.0 -65.2 -39.9 36.4 39.1 21.2 250 253 C Q H > S+ 0 0 36 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.899 109.5 53.3 -66.3 -41.2 32.8 40.5 21.6 251 254 C Q H X S+ 0 0 77 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.859 110.0 49.2 -57.9 -41.6 31.9 37.6 23.9 252 255 C T H X S+ 0 0 96 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.936 112.5 46.5 -65.0 -49.8 35.1 38.5 26.0 253 256 C L H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 111.1 53.3 -59.2 -45.2 34.0 42.2 26.1 254 257 C L H X S+ 0 0 2 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.925 109.1 47.4 -54.3 -52.9 30.5 41.2 27.1 255 258 C H H X S+ 0 0 96 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.853 111.2 52.1 -59.2 -38.8 31.7 39.1 30.0 256 259 C F H X S+ 0 0 98 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.904 110.8 47.4 -62.9 -45.1 34.0 41.9 31.2 257 260 C I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.932 112.3 50.7 -62.9 -45.1 31.0 44.4 31.1 258 261 C M H X S+ 0 0 13 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.919 107.7 51.4 -59.3 -46.1 28.8 41.9 33.0 259 262 C D H < S+ 0 0 117 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.926 113.6 45.3 -55.8 -48.0 31.5 41.4 35.7 260 263 C S H >< S+ 0 0 10 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.886 114.7 48.5 -59.7 -46.1 31.7 45.2 36.2 261 264 C Y H >< S+ 0 0 3 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.821 102.0 63.4 -65.2 -35.9 27.9 45.5 36.2 262 265 C N T 3< S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.554 78.9 83.8 -70.2 -5.5 27.5 42.7 38.7 263 266 C K T < S+ 0 0 155 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.314 74.2 119.2 -78.3 12.0 29.3 44.7 41.4 264 267 C Q S < S- 0 0 36 -3,-0.9 31,-0.0 1,-0.1 -3,-0.0 -0.258 75.8 -83.4 -79.2 163.5 26.0 46.4 42.0 265 268 C R - 0 0 85 1,-0.1 -1,-0.1 2,-0.1 5,-0.0 -0.301 58.0 -92.3 -60.3 145.6 23.8 46.5 45.2 266 269 C M >> - 0 0 110 1,-0.1 4,-0.7 -3,-0.1 3,-0.6 -0.507 27.7-141.9 -66.2 117.8 21.5 43.5 45.6 267 270 C P H 3> S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.772 102.2 56.5 -47.1 -36.8 18.1 44.2 44.0 268 271 C Q H 3> S+ 0 0 116 1,-0.2 4,-4.1 2,-0.2 5,-0.5 0.920 94.1 69.5 -62.2 -43.9 16.3 42.4 46.9 269 272 C E H <> S+ 0 0 102 -3,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.775 109.2 33.2 -44.0 -40.8 18.0 44.7 49.4 270 273 C I H X S+ 0 0 32 -4,-0.7 4,-1.6 -3,-0.4 -1,-0.2 0.853 123.2 44.2 -84.1 -45.0 15.9 47.7 48.1 271 274 C T H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.908 110.8 52.9 -71.4 -41.9 12.7 45.8 47.3 272 275 C N H X S+ 0 0 91 -4,-4.1 4,-1.3 1,-0.2 -1,-0.2 0.934 111.8 49.3 -55.2 -45.0 12.6 43.7 50.4 273 276 C K H X S+ 0 0 79 -4,-0.7 4,-0.9 -5,-0.5 -1,-0.2 0.808 112.1 45.9 -62.2 -41.3 12.9 47.0 52.3 274 277 C I H < S+ 0 0 27 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.3 45.2 -72.2 -37.3 10.1 48.7 50.5 275 278 C L H < S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.672 103.1 68.9 -79.1 -20.1 7.7 45.7 50.8 276 279 C K H < S- 0 0 157 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.974 114.3 -9.7 -62.9 -62.8 8.6 45.2 54.5 277 280 C E S < S- 0 0 92 -4,-0.9 -1,-0.3 0, 0.0 2,-0.1 -0.994 70.7-108.0-144.5 145.4 6.9 48.2 56.0 278 281 C A - 0 0 68 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.451 38.4-155.4 -71.4 142.9 5.4 51.4 54.8 279 282 C F - 0 0 41 73,-0.1 2,-0.1 -2,-0.1 -1,-0.0 -0.840 16.8-106.5-117.9 161.5 7.5 54.5 55.4 280 283 C S > - 0 0 50 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.306 37.2-106.0 -76.9 168.9 6.7 58.2 55.8 281 284 C A H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.871 123.3 52.0 -64.7 -35.1 7.6 60.6 53.0 282 285 C E H > S+ 0 0 140 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.823 110.6 47.3 -68.3 -35.1 10.5 62.0 55.1 283 286 C E H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.863 112.3 50.3 -73.3 -38.2 11.8 58.4 55.7 284 287 C N H X S+ 0 0 23 -4,-2.2 4,-2.2 72,-0.2 -2,-0.2 0.862 104.5 56.7 -68.9 -36.4 11.5 57.7 51.9 285 288 C F H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.837 109.7 47.5 -62.7 -32.3 13.4 60.9 51.0 286 289 C L H X S+ 0 0 91 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.889 108.2 52.0 -74.8 -42.7 16.3 59.5 53.1 287 290 C I H X S+ 0 0 20 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.885 112.6 50.5 -59.5 -36.7 16.2 56.0 51.6 288 291 C L H X S+ 0 0 38 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.942 109.8 44.7 -67.7 -54.9 16.4 57.8 48.2 289 292 C T H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.877 118.1 47.7 -60.2 -32.4 19.4 60.1 48.9 290 293 C E H X S+ 0 0 94 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.933 115.3 42.1 -70.4 -51.1 21.1 57.1 50.5 291 294 C M H X S+ 0 0 47 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.818 118.0 48.6 -63.3 -36.5 20.4 54.6 47.6 292 295 C A H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.885 110.1 50.7 -72.9 -41.9 21.2 57.4 45.1 293 296 C T H X S+ 0 0 20 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.935 113.2 44.8 -62.3 -46.6 24.5 58.3 46.8 294 297 C N H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.902 110.6 56.1 -63.0 -41.2 25.7 54.7 46.9 295 298 C H H X S+ 0 0 25 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.845 102.9 54.6 -58.1 -40.7 24.5 54.3 43.2 296 299 C V H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.875 108.3 49.3 -61.0 -41.3 26.8 57.3 42.1 297 300 C Q H X S+ 0 0 87 -4,-1.3 4,-2.0 -3,-0.2 -2,-0.2 0.952 114.1 45.0 -64.9 -43.7 29.8 55.5 43.7 298 301 C V H X S+ 0 0 29 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.899 112.0 53.2 -64.1 -41.6 28.9 52.3 41.9 299 302 C L H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.894 108.3 48.9 -58.7 -48.5 28.3 54.2 38.6 300 303 C V H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.908 112.2 49.0 -61.8 -41.7 31.7 55.9 38.7 301 304 C E H X S+ 0 0 61 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.920 113.1 47.2 -62.0 -46.0 33.4 52.5 39.4 302 305 C F H < S+ 0 0 11 -4,-2.6 3,-0.4 1,-0.2 4,-0.4 0.894 112.2 51.0 -60.8 -42.4 31.5 50.9 36.5 303 306 C T H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 6,-0.2 0.899 103.7 55.7 -65.5 -47.3 32.3 53.9 34.2 304 307 C K H 3< S+ 0 0 24 -4,-2.4 6,-0.4 1,-0.3 -1,-0.2 0.759 106.8 53.6 -56.1 -29.3 36.1 53.8 34.9 305 308 C K T 3< S+ 0 0 67 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.549 79.7 111.8 -84.1 -10.5 36.1 50.2 33.8 306 309 C L S X S- 0 0 3 -3,-1.8 3,-2.1 -4,-0.4 4,-0.4 -0.479 89.3 -91.3 -64.6 128.0 34.4 50.9 30.4 307 310 C P T 3 S- 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.210 105.7 -2.4 -49.6 117.9 37.0 50.3 27.6 308 311 C G T > S+ 0 0 29 -4,-0.1 3,-2.0 -3,-0.1 4,-0.2 0.224 90.9 121.5 88.2 -12.5 38.9 53.5 26.9 309 312 C F G X S+ 0 0 0 -3,-2.1 3,-1.5 1,-0.3 -5,-0.1 0.857 75.0 54.0 -50.2 -41.8 37.0 55.8 29.3 310 313 C Q G 3 S+ 0 0 106 -4,-0.4 -1,-0.3 -6,-0.4 -6,-0.1 0.594 97.7 63.1 -73.5 -8.7 40.3 56.7 31.2 311 314 C T G < S+ 0 0 122 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.371 88.5 105.9 -88.9 -0.5 42.0 57.7 27.9 312 315 C L S < S- 0 0 10 -3,-1.5 5,-0.1 -4,-0.2 -4,-0.0 -0.557 88.2 -90.6 -83.0 151.9 39.4 60.5 27.7 313 316 C D > - 0 0 73 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.268 37.5-126.1 -54.1 136.2 39.9 64.1 28.4 314 317 C H H > S+ 0 0 83 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.808 107.6 50.8 -59.3 -40.4 39.3 64.8 32.2 315 318 C E H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.933 111.4 48.6 -65.6 -43.9 36.7 67.6 31.6 316 319 C D H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.845 104.6 60.5 -64.0 -34.8 34.8 65.4 29.2 317 320 C Q H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.901 108.6 43.7 -59.5 -40.1 34.9 62.5 31.8 318 321 C I H X S+ 0 0 16 -4,-1.4 4,-2.8 -3,-0.3 5,-0.3 0.873 110.9 53.4 -72.1 -40.5 33.0 64.8 34.2 319 322 C A H X S+ 0 0 16 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.888 110.1 49.9 -63.5 -33.5 30.6 66.0 31.6 320 323 C L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.912 112.9 44.8 -69.8 -43.5 29.8 62.3 30.8 321 324 C L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.2 0.925 118.0 43.0 -63.9 -49.7 29.2 61.3 34.4 322 325 C K H < S+ 0 0 48 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.839 113.8 53.2 -66.8 -33.7 27.1 64.4 35.2 323 326 C G H < S+ 0 0 17 -4,-2.0 -1,-0.2 -5,-0.3 4,-0.2 0.784 120.1 31.6 -70.6 -27.2 25.3 63.9 31.9 324 327 C S H X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.2 5,-0.2 0.639 91.0 89.9-106.9 -19.8 24.4 60.3 32.6 325 328 C A H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -3,-0.1 0.862 92.6 41.9 -48.8 -53.2 23.9 59.9 36.4 326 329 C V H > S+ 0 0 3 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.920 117.1 49.1 -64.8 -43.3 20.2 60.6 36.7 327 330 C E H > S+ 0 0 1 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.920 110.0 51.0 -62.3 -42.7 19.4 58.6 33.6 328 331 C A H X S+ 0 0 1 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112.1 51.3 -58.9 -40.4 27.3 51.6 29.2 389 392 C I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 108.4 50.0 -65.0 -41.9 25.6 53.2 26.1 390 393 C V H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.893 112.9 48.3 -61.3 -44.8 23.8 55.9 28.2 391 394 C I H 3< S+ 0 0 0 -4,-2.1 2,-0.8 1,-0.3 -2,-0.2 0.901 109.0 51.9 -64.9 -43.7 27.2 56.7 29.9 392 395 C L T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.1 17,-0.2 -0.258 76.7 152.3 -91.4 48.2 29.2 56.9 26.7 393 396 C S X - 0 0 2 -3,-0.8 3,-1.3 -2,-0.8 13,-0.1 -0.726 34.6-158.6 -82.8 114.0 26.7 59.4 25.0 394 397 C P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.664 86.2 60.8 -63.9 -19.0 28.6 61.5 22.5 395 398 C D T 3 + 0 0 107 10,-0.1 3,-0.1 3,-0.0 2,-0.1 0.153 68.8 130.6-100.6 18.7 25.9 64.2 22.5 396 399 C R X - 0 0 26 -3,-1.3 3,-1.2 1,-0.1 -76,-0.1 -0.414 68.3-101.5 -66.4 147.6 26.1 65.2 26.2 397 400 C Q T 3 S+ 0 0 160 1,-0.2 3,-0.1 -78,-0.1 -1,-0.1 -0.389 105.3 28.7 -68.3 150.6 26.3 68.9 26.7 398 401 C Y T 3 S+ 0 0 193 1,-0.3 2,-0.5 -3,-0.1 -1,-0.2 0.437 81.2 140.2 80.7 0.7 29.8 70.3 27.5 399 402 C I < - 0 0 25 -3,-1.2 3,-0.3 1,-0.2 -1,-0.3 -0.679 31.2-172.6 -78.1 126.4 31.6 67.5 25.6 400 403 C K S S+ 0 0 139 -2,-0.5 2,-0.7 1,-0.2 -1,-0.2 0.869 77.8 43.0 -86.7 -39.9 34.6 68.9 23.7 401 404 C D > + 0 0 81 1,-0.2 4,-1.3 -88,-0.1 3,-0.4 -0.702 63.0 168.9-111.8 81.7 35.6 65.8 21.8 402 405 C R H >> S+ 0 0 110 -2,-0.7 4,-2.1 -3,-0.3 3,-0.6 0.912 77.4 53.6 -53.6 -51.8 32.4 64.3 20.5 403 406 C E H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.801 102.4 57.9 -60.0 -31.6 34.2 61.8 18.1 404 407 C A H 3> S+ 0 0 23 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.903 109.7 44.5 -65.3 -38.5 36.4 60.4 21.0 405 408 C V H XX S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.6 3,-0.5 0.911 109.8 57.3 -68.7 -43.1 33.2 59.4 22.9 406 409 C E H 3X S+ 0 0 61 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.862 101.9 53.4 -55.4 -44.9 31.6 58.0 19.7 407 410 C K H 3< S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 110.9 48.3 -63.0 -31.4 34.4 55.5 19.1 408 411 C L H X S+ 0 0 22 -4,-2.1 4,-2.3 -17,-0.2 3,-0.6 0.803 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49.8 -54.0 -46.9 17.2 47.1 18.8 432 435 C A H > S+ 0 0 66 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.898 107.8 53.5 -60.9 -40.8 15.6 50.4 17.5 433 436 C C H X S+ 0 0 61 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.869 108.2 51.1 -60.2 -40.2 12.8 50.2 20.1 434 437 C L H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.913 108.7 50.1 -62.3 -46.0 15.5 49.9 22.8 435 438 C L H >X S+ 0 0 54 -4,-2.1 3,-1.1 1,-0.3 4,-0.5 0.810 100.7 65.0 -63.9 -27.8 17.4 52.9 21.5 436 439 C G H >X S+ 0 0 34 -4,-1.7 4,-1.3 1,-0.3 3,-1.0 0.805 91.4 65.3 -61.6 -31.7 14.0 54.8 21.6 437 440 C R H S+ 0 0 18 -3,-1.1 4,-1.1 -4,-0.5 -1,-0.2 0.839 101.5 48.4 -66.7 -31.1 17.2 56.6 25.5 439 442 C T H X S+ 0 0 69 -4,-1.3 4,-0.8 1,-0.2 3,-0.6 0.887 108.0 56.3 -61.3 -37.0 12.3 58.7 27.1 441 444 C L H 3X S+ 0 0 1 -4,-2.2 4,-1.3 1,-0.2 3,-0.5 0.851 97.1 60.8 -61.1 -40.2 15.2 58.7 29.6 442 445 C R H 3X S+ 0 0 63 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.752 94.9 64.1 -62.6 -27.6 16.4 62.2 28.8 443 446 C T H < S+ 0 0 35 -4,-1.3 3,-1.0 1,-0.2 4,-0.3 0.900 104.8 57.6 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77.7-106.5 -57.6 138.1 8.9 65.7 47.3 456 459 C R S S+ 0 0 136 -99,-2.4 2,-0.3 -175,-0.0 -1,-0.1 -0.589 83.3 98.6 -73.4 93.4 6.5 66.1 50.3 457 460 C V S S- 0 0 33 -2,-1.3 3,-0.1 -4,-0.2 -100,-0.0 -0.901 71.0-130.1-171.4 149.6 8.9 67.2 52.9 458 461 C N S S+ 0 0 158 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.929 95.9 43.7 -74.9 -46.7 10.1 70.5 54.5 459 462 C D - 0 0 132 2,-0.1 2,-1.0 1,-0.0 -1,-0.2 -0.900 60.8-166.3-109.0 123.5 13.8 69.9 54.1 460 463 C H + 0 0 34 -2,-0.5 2,-0.6 -3,-0.1 13,-0.1 -0.790 22.9 178.9-105.4 80.7 15.3 68.5 50.9 461 464 C K - 0 0 160 -2,-1.0 2,-0.2 12,-0.0 -172,-0.1 -0.830 3.3-175.0 -92.1 122.9 18.8 67.7 52.2 462 465 C F - 0 0 9 -2,-0.6 -176,-0.0 1,-0.0 -173,-0.0 -0.642 26.8-107.5-109.3 165.7 21.2 66.1 49.8 463 466 C T > - 0 0 39 -2,-0.2 4,-2.9 -174,-0.1 3,-0.3 -0.612 32.2-111.7 -88.1 154.4 24.8 64.7 50.3 464 467 C P H > S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.847 120.9 54.8 -54.7 -35.5 27.8 66.6 48.9 465 468 C L H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.919 111.6 43.7 -63.6 -42.1 28.3 63.8 46.3 466 469 C L H > S+ 0 0 0 -3,-0.3 4,-3.1 1,-0.2 5,-0.4 0.896 109.6 58.1 -68.6 -38.2 24.7 64.2 45.2 467 470 C C H X>S+ 0 0 29 -4,-2.9 5,-0.7 1,-0.2 4,-0.5 0.828 109.3 44.3 -58.0 -38.9 25.1 68.0 45.2 468 471 C E H <5S+ 0 0 32 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.830 121.4 36.8 -74.1 -39.1 28.0 67.8 42.7 469 472 C I H <5S+ 0 0 5 -4,-1.5 -2,-0.2 -5,-0.2 -143,-0.2 0.851 126.1 32.9 -87.9 -34.5 26.4 65.3 40.4 470 473 C W H <5S- 0 0 7 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.434 99.3-129.6 -97.2 -9.3 22.7 66.4 40.4 471 474 C D T <5 + 0 0 94 -4,-0.5 2,-0.3 -5,-0.4 -3,-0.2 0.980 58.5 136.5 50.6 71.8 23.4 70.1 40.8 472 475 C V < 0 0 19 -5,-0.7 -1,-0.2 -6,-0.1 -2,-0.0 -0.783 360.0 360.0-132.8 175.2 21.1 70.6 43.7 473 476 C Q 0 0 155 -2,-0.3 -12,-0.0 -13,-0.1 -13,-0.0 -0.255 360.0 360.0 50.4 360.0 21.4 72.6 47.0 474 !* 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 0.0 475 746 D H > 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 28.4 33.5 68.6 41.6 476 747 D Q H > + 0 0 170 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.860 360.0 52.0 -54.1 -43.3 36.4 67.5 43.9 477 748 D L H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 109.2 48.9 -63.0 -43.9 34.5 64.3 44.9 478 749 D L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 114.1 45.7 -63.4 -42.7 33.9 63.3 41.3 479 750 D R H X S+ 0 0 45 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.892 111.0 54.0 -67.8 -35.6 37.5 63.9 40.4 480 751 D Y H X S+ 0 0 149 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.954 110.6 45.6 -61.2 -49.9 38.6 62.0 43.5 481 752 D L H < S+ 0 0 24 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 114.9 48.7 -61.5 -36.5 36.5 59.0 42.5 482 753 D L H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.6 39.0 -70.4 -40.3 37.8 59.1 39.0 483 754 D D H < S+ 0 0 77 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.405 89.8 108.9 -93.9 -2.4 41.4 59.4 39.9 484 755 D K < 0 0 68 -4,-1.0 -3,-0.0 -3,-0.2 -4,-0.0 -0.384 360.0 360.0 -76.1 158.1 41.5 57.0 42.8 485 756 D D 0 0 200 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.168 360.0 360.0-113.6 360.0 43.3 53.7 42.5