==== 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 27-AUG-10 3OMK . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.G.RUDOLPH . 483 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 72.5 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 . 55 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 3 1 0 4 0 2 0 3 1 0 0 0 0 0 0 2 0 5 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 0 202 0, 0.0 2,-0.1 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 171.8 41.2 17.7 -29.1 2 248 A E - 0 0 147 1,-0.1 2,-0.3 177,-0.0 174,-0.1 -0.371 360.0 -70.5 -92.3 175.3 42.8 19.3 -26.0 3 249 A L - 0 0 19 -2,-0.1 -1,-0.1 172,-0.1 169,-0.0 -0.563 50.9-131.5 -73.1 132.0 41.5 22.5 -24.3 4 250 A T > - 0 0 58 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.189 29.4 -99.4 -72.6 168.9 42.1 25.7 -26.3 5 251 A P H > S+ 0 0 100 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.875 127.4 49.0 -59.0 -37.6 43.7 28.8 -24.7 6 252 A D H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.807 110.4 50.6 -68.7 -34.8 40.2 30.3 -24.3 7 253 A Q H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.878 109.4 49.6 -74.9 -37.3 38.8 27.1 -22.8 8 254 A Q H X S+ 0 0 92 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.901 111.9 50.2 -64.5 -38.9 41.7 26.9 -20.2 9 255 A T H X S+ 0 0 99 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.952 112.8 46.1 -61.6 -51.2 41.0 30.5 -19.3 10 256 A L H X S+ 0 0 29 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.914 113.6 48.9 -59.4 -45.5 37.2 29.8 -18.9 11 257 A L H X S+ 0 0 12 -4,-2.7 4,-3.0 2,-0.2 3,-0.2 0.970 112.9 45.4 -59.9 -57.1 37.9 26.6 -16.8 12 258 A H H X S+ 0 0 114 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.857 113.9 51.3 -55.2 -38.8 40.4 28.3 -14.4 13 259 A F H X S+ 0 0 82 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.890 111.2 45.8 -65.8 -43.1 38.0 31.3 -14.1 14 260 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 -3,-0.2 -2,-0.2 0.897 111.7 54.5 -66.4 -40.0 35.0 29.0 -13.3 15 261 A M H X S+ 0 0 8 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.911 106.0 51.4 -58.1 -44.9 37.2 27.1 -10.8 16 262 A D H < S+ 0 0 108 -4,-2.1 4,-0.2 2,-0.2 -1,-0.2 0.873 112.7 43.7 -61.5 -41.3 38.1 30.3 -9.0 17 263 A S H >< S+ 0 0 6 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.916 112.4 54.6 -71.4 -38.7 34.5 31.4 -8.5 18 264 A Y H >< S+ 0 0 3 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.853 99.5 61.3 -59.4 -41.6 33.5 27.8 -7.5 19 265 A N T 3< S+ 0 0 92 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.558 82.0 81.6 -68.9 -3.7 36.1 27.8 -4.7 20 266 A K T < S+ 0 0 165 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.1 0.590 73.6 105.4 -76.3 -10.6 34.5 30.7 -2.9 21 267 A Q S < S- 0 0 20 -3,-1.5 2,-0.1 1,-0.1 31,-0.0 -0.241 89.7 -82.1 -67.1 159.0 32.1 28.2 -1.4 22 268 A R - 0 0 52 1,-0.1 -1,-0.1 26,-0.1 5,-0.1 -0.403 58.0-102.7 -61.1 133.4 32.2 27.0 2.2 23 269 A M > - 0 0 122 -2,-0.1 4,-0.6 1,-0.1 3,-0.3 -0.286 22.1-123.1 -63.6 141.9 34.8 24.2 2.5 24 270 A P H >> S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 3,-1.8 0.907 109.7 53.4 -54.5 -46.3 33.5 20.6 2.7 25 271 A Q H 3> S+ 0 0 111 1,-0.3 4,-3.5 2,-0.2 5,-0.4 0.871 97.8 63.8 -56.9 -40.9 35.2 19.9 6.0 26 272 A E H 34 S+ 0 0 112 -3,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.737 113.7 37.2 -52.6 -24.2 33.6 22.9 7.7 27 273 A I H S+ 0 0 97 -4,-0.4 4,-1.1 -5,-0.4 -2,-0.2 0.885 114.9 46.3 -60.7 -50.3 30.3 19.7 12.5 31 277 A I H < S+ 0 0 37 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 118.7 42.8 -62.6 -41.5 28.1 16.7 11.6 32 278 A L H < S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.835 102.1 69.2 -75.2 -32.2 30.8 14.2 12.6 33 279 A K H < S- 0 0 152 -4,-2.7 2,-0.3 1,-0.2 -1,-0.2 0.853 116.9 -19.0 -53.3 -46.2 31.8 16.0 15.8 34 280 A E < - 0 0 102 -4,-1.1 2,-0.2 -3,-0.1 -1,-0.2 -0.990 67.5 -98.8-161.6 158.4 28.5 15.2 17.6 35 281 A A - 0 0 58 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.549 39.0-163.9 -82.7 143.1 24.9 14.1 17.1 36 282 A F - 0 0 45 -2,-0.2 2,-0.1 73,-0.1 -5,-0.0 -0.864 23.5 -99.0-122.5 164.6 22.3 16.9 17.2 37 283 A S > - 0 0 54 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.386 38.7-107.1 -75.8 161.3 18.5 16.9 17.6 38 284 A A H > S+ 0 0 26 1,-0.3 4,-1.8 2,-0.2 176,-0.1 0.807 123.2 54.1 -57.1 -34.2 16.3 17.2 14.5 39 285 A E H > S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.857 109.0 47.4 -68.2 -40.3 15.5 20.8 15.5 40 286 A E H > S+ 0 0 103 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.901 112.5 49.8 -69.2 -37.4 19.3 21.6 15.7 41 287 A N H X S+ 0 0 24 -4,-2.4 4,-3.2 72,-0.2 -2,-0.2 0.860 105.6 56.6 -69.2 -33.6 19.8 20.0 12.3 42 288 A F H X S+ 0 0 12 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.909 110.2 44.6 -65.1 -39.9 16.9 22.0 10.7 43 289 A L H X S+ 0 0 121 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.825 111.9 51.8 -71.8 -33.1 18.6 25.2 11.8 44 290 A I H X S+ 0 0 33 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 111.7 49.5 -67.7 -44.2 22.1 24.0 10.5 45 291 A L H X S+ 0 0 42 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.895 111.8 46.5 -60.3 -44.5 20.3 23.1 7.2 46 292 A T H X S+ 0 0 7 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.847 113.9 46.5 -68.6 -38.5 18.7 26.6 6.9 47 293 A E H X S+ 0 0 87 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.871 113.8 49.1 -70.9 -38.8 21.8 28.5 7.7 48 294 A M H X S+ 0 0 43 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.863 113.1 48.3 -64.0 -38.1 23.9 26.4 5.3 49 295 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.767 108.6 52.1 -73.7 -30.6 21.3 26.9 2.6 50 296 A T H X S+ 0 0 20 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.906 112.3 46.5 -71.4 -43.1 21.1 30.7 3.1 51 297 A N H X S+ 0 0 36 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.920 112.6 51.2 -60.9 -46.5 24.9 30.9 2.8 52 298 A H H X S+ 0 0 17 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.861 108.5 48.9 -58.5 -45.7 24.9 28.7 -0.3 53 299 A V H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.918 111.3 52.5 -63.7 -40.9 22.2 30.7 -2.2 54 300 A Q H X S+ 0 0 89 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.935 113.7 41.1 -56.4 -49.7 24.2 33.8 -1.4 55 301 A V H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.855 111.4 58.2 -66.6 -37.3 27.4 32.4 -2.8 56 302 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.874 103.4 52.0 -64.6 -37.7 25.5 30.8 -5.8 57 303 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.919 111.4 46.9 -61.6 -44.7 24.2 34.3 -6.8 58 304 A E H X S+ 0 0 70 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.895 113.5 49.4 -64.2 -38.7 27.8 35.6 -6.8 59 305 A F H X S+ 0 0 10 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.917 111.3 49.2 -64.3 -43.6 29.0 32.5 -8.8 60 306 A T H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.885 105.9 55.9 -65.0 -44.5 26.2 33.0 -11.3 61 307 A K H 3< S+ 0 0 31 -4,-2.3 6,-0.4 1,-0.3 -1,-0.2 0.786 105.4 53.6 -60.8 -29.2 26.9 36.7 -11.8 62 308 A K H 3< S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.637 79.8 113.8 -82.0 -13.9 30.5 35.8 -12.8 63 309 A L S X< S- 0 0 2 -3,-1.3 3,-3.0 -4,-0.5 4,-0.4 -0.431 85.8 -98.1 -62.7 119.2 29.3 33.3 -15.4 64 310 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.148 105.1 3.8 -44.3 117.9 30.4 34.8 -18.8 65 311 A G T > S+ 0 0 27 -4,-0.1 3,-1.0 -3,-0.1 4,-0.2 0.262 93.7 115.9 89.2 -9.3 27.5 36.6 -20.4 66 312 A F G X S+ 0 0 0 -3,-3.0 3,-1.5 1,-0.3 -5,-0.1 0.881 74.7 55.0 -58.1 -39.8 25.1 36.1 -17.5 67 313 A Q G 3 S+ 0 0 103 -4,-0.4 -1,-0.3 -6,-0.4 7,-0.1 0.737 100.5 59.9 -64.5 -26.6 24.9 39.9 -16.9 68 314 A T G < S+ 0 0 123 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.2 0.387 86.5 102.5 -81.5 -0.9 23.9 40.5 -20.5 69 315 A L S < S- 0 0 8 -3,-1.5 5,-0.1 -4,-0.2 -4,-0.0 -0.498 90.3 -85.0 -80.8 157.9 20.7 38.3 -20.1 70 316 A D > - 0 0 73 -2,-0.1 4,-2.4 1,-0.1 -1,-0.1 -0.271 39.8-124.9 -57.1 145.2 17.2 39.8 -19.6 71 317 A H H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.852 111.4 49.5 -66.3 -36.0 16.7 40.6 -15.9 72 318 A E H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 112.1 49.6 -69.9 -36.2 13.6 38.6 -15.6 73 319 A D H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 105.9 56.7 -66.8 -40.5 15.4 35.7 -17.3 74 320 A Q H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.883 110.6 45.0 -54.8 -44.8 18.4 36.1 -14.8 75 321 A I H X S+ 0 0 11 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.890 110.0 54.1 -66.1 -46.0 15.9 35.6 -11.9 76 322 A A H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.897 109.1 48.6 -58.6 -42.7 14.2 32.6 -13.6 77 323 A L H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.865 113.2 46.8 -64.6 -41.3 17.5 30.8 -14.0 78 324 A L H >X S+ 0 0 1 -4,-1.5 4,-1.4 -5,-0.2 3,-0.7 0.956 115.8 44.5 -66.6 -49.6 18.6 31.4 -10.4 79 325 A K H 3< S+ 0 0 45 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.862 113.0 52.1 -62.0 -39.3 15.2 30.3 -9.0 80 326 A G H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 -5,-0.3 4,-0.2 0.672 118.4 35.1 -73.8 -15.7 15.1 27.3 -11.4 81 327 A S H S+ 0 0 5 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.912 116.2 47.4 -68.7 -44.5 17.7 23.5 -5.2 84 330 A E H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 111.4 51.3 -61.7 -45.6 19.6 21.4 -7.8 85 331 A A H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.899 109.6 51.3 -59.3 -39.8 22.8 23.3 -7.1 86 332 A M H X S+ 0 0 22 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.920 112.1 44.2 -63.7 -43.5 22.4 22.7 -3.4 87 333 A F H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.803 112.2 52.9 -73.1 -26.2 21.9 18.9 -3.8 88 334 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 111.7 45.8 -73.8 -37.6 24.8 18.7 -6.3 89 335 A R H X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 111.0 52.7 -67.5 -37.4 27.0 20.4 -3.8 90 336 A S H X S+ 0 0 36 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.902 110.6 48.2 -65.2 -37.5 25.7 18.1 -1.0 91 337 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.868 109.8 52.3 -66.6 -39.3 26.6 15.1 -3.3 92 338 A E H < S+ 0 0 26 -4,-2.4 4,-0.2 2,-0.2 -2,-0.2 0.940 114.2 42.7 -61.1 -49.2 30.1 16.6 -3.9 93 339 A I H >< S+ 0 0 15 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.913 111.9 55.2 -62.9 -47.7 30.6 17.0 -0.1 94 340 A F H 3< S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.3 45.9 -56.4 -38.3 29.2 13.5 0.6 95 341 A N T 3< S+ 0 0 59 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.349 83.9 117.2 -92.8 7.0 31.5 11.7 -1.7 96 342 A K S < S- 0 0 97 -3,-1.4 2,-0.2 -4,-0.2 -3,-0.0 -0.485 76.0 -98.1 -73.2 143.0 34.7 13.4 -0.6 97 343 A K + 0 0 203 -2,-0.1 -1,-0.1 5,-0.0 -2,-0.1 -0.443 48.9 170.8 -68.8 131.3 37.4 11.1 1.0 98 344 A L - 0 0 34 -2,-0.2 5,-0.2 1,-0.1 3,-0.1 -0.897 42.3 -69.9-131.9 163.0 37.5 10.9 4.7 99 345 A P S > S- 0 0 80 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.063 75.2 -68.0 -50.1 156.3 39.3 8.7 7.3 100 346 A S T 3 S+ 0 0 128 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.128 122.4 11.8 -48.6 134.3 38.2 5.0 7.6 101 347 A G T 3> S+ 0 0 45 -3,-0.1 4,-1.4 1,-0.1 -1,-0.3 0.322 100.2 102.2 76.8 -5.2 34.6 4.7 9.0 102 348 A H H <> S+ 0 0 76 -3,-2.1 4,-3.1 2,-0.2 5,-0.2 0.903 76.4 51.1 -75.8 -45.4 33.8 8.4 8.7 103 349 A S H > S+ 0 0 45 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.818 109.7 53.2 -61.1 -33.5 31.6 8.3 5.6 104 350 A D H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 112.7 43.1 -66.0 -46.5 29.6 5.6 7.3 105 351 A L H X S+ 0 0 52 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.890 113.4 51.5 -66.7 -39.9 29.1 7.8 10.4 106 352 A L H X S+ 0 0 3 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.949 111.3 48.1 -62.2 -45.1 28.4 10.9 8.2 107 353 A E H X S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.865 111.8 49.8 -62.8 -37.4 25.7 8.9 6.3 108 354 A A H X S+ 0 0 25 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.901 110.9 49.4 -68.0 -43.4 24.1 7.6 9.6 109 355 A R H < S+ 0 0 32 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.903 112.8 46.3 -63.5 -44.1 24.0 11.1 11.0 110 356 A I H >< S+ 0 0 34 -4,-2.2 3,-2.2 1,-0.2 5,-0.4 0.956 110.3 54.3 -63.5 -47.4 22.3 12.6 7.8 111 357 A R H 3< S+ 0 0 98 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.808 115.5 39.7 -53.4 -36.2 19.9 9.6 7.8 112 358 A N T 3< S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.100 84.5 106.9-103.6 22.1 18.9 10.5 11.4 113 359 A S S < S- 0 0 11 -3,-2.2 -72,-0.2 -72,-0.1 -1,-0.2 0.641 103.4 -89.4 -75.0 -20.2 18.9 14.3 10.9 114 360 A G S S+ 0 0 11 1,-0.4 99,-3.1 -3,-0.3 -2,-0.1 0.196 82.4 137.5 126.7 -10.2 15.1 14.6 11.0 115 361 A I - 0 0 9 -5,-0.4 -1,-0.4 97,-0.2 2,-0.1 -0.368 62.0 -99.2 -64.5 144.6 14.4 14.1 7.3 116 362 A S >> - 0 0 17 92,-0.4 3,-2.0 1,-0.1 4,-0.9 -0.407 23.2-122.7 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42.5 -5.5 233 745 B D T 3 + 0 0 140 1,-0.3 3,-0.2 2,-0.1 2,-0.0 0.914 360.0 24.6 -62.7 -43.5 7.9 38.7 -5.5 234 746 B H T 3> S+ 0 0 49 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 -0.381 80.6 142.6-117.8 50.5 11.7 38.0 -5.6 235 747 B Q H <> S+ 0 0 133 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.824 70.9 48.1 -62.8 -36.6 12.9 41.3 -4.2 236 748 B L H > S+ 0 0 67 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.899 114.9 47.5 -72.0 -36.1 15.9 39.9 -2.2 237 749 B L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 112.4 47.9 -69.4 -46.1 17.0 37.9 -5.2 238 750 B R H X S+ 0 0 102 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.876 110.8 54.0 -62.0 -35.9 16.7 40.9 -7.6 239 751 B Y H X S+ 0 0 153 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.922 110.1 45.3 -64.2 -45.6 18.6 43.0 -5.0 240 752 B L H < S+ 0 0 32 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.831 110.7 53.9 -66.7 -34.7 21.5 40.5 -4.9 241 753 B L H < S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.836 121.9 30.4 -70.4 -31.5 21.6 40.2 -8.8 242 754 B D H < 0 0 72 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.954 360.0 360.0 -87.3 -69.4 21.9 44.0 -9.0 243 755 B K < 0 0 137 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.0 0.928 360.0 360.0 43.0 360.0 23.9 45.2 -5.8 244 !* 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 0.0 245 247 C M 0 0 104 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.7 12.1 5.1 13.5 246 248 C E - 0 0 118 176,-0.0 2,-0.1 177,-0.0 174,-0.1 -0.987 360.0-111.0-147.7 139.7 9.6 6.7 15.9 247 249 C L - 0 0 13 -2,-0.3 169,-0.0 1,-0.1 0, 0.0 -0.381 28.8-123.7 -69.3 146.1 7.1 5.2 18.3 248 250 C T >> - 0 0 63 1,-0.1 4,-2.3 -2,-0.1 3,-0.5 -0.533 30.1-107.2 -82.4 157.0 3.3 5.4 17.6 249 251 C P H 3> S+ 0 0 106 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.857 122.9 49.5 -48.8 -38.7 1.1 7.1 20.3 250 252 C D H 3> S+ 0 0 131 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.787 109.1 49.9 -70.6 -36.9 -0.3 3.5 21.2 251 253 C Q H <> S+ 0 0 33 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.867 109.9 53.3 -68.4 -34.9 3.3 2.0 21.4 252 254 C Q H X S+ 0 0 85 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.823 108.8 48.3 -65.8 -36.0 4.2 5.0 23.7 253 255 C T H X S+ 0 0 91 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.873 113.1 48.1 -69.7 -44.8 1.1 4.1 26.0 254 256 C L H X S+ 0 0 37 -4,-1.7 4,-2.7 2,-0.2 3,-0.2 0.959 109.2 52.8 -60.7 -53.1 2.2 0.5 26.0 255 257 C L H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.911 112.2 45.1 -48.7 -51.6 5.8 1.4 26.9 256 258 C H H X S+ 0 0 96 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.806 111.3 53.1 -64.8 -33.1 4.7 3.6 29.9 257 259 C F H X S+ 0 0 84 -4,-1.6 4,-1.7 -3,-0.2 -1,-0.2 0.952 111.9 45.1 -68.2 -43.5 2.3 0.9 31.1 258 260 C I H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.860 111.7 52.5 -63.5 -44.0 5.2 -1.7 31.0 259 261 C M H X S+ 0 0 14 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.855 106.3 54.3 -60.5 -42.0 7.6 0.7 32.8 260 262 C D H < S+ 0 0 96 -4,-1.9 4,-0.2 2,-0.2 -2,-0.2 0.945 112.4 42.8 -57.0 -53.3 5.0 1.3 35.5 261 263 C S H >< S+ 0 0 9 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.878 114.0 52.2 -59.6 -42.7 4.8 -2.5 36.2 262 264 C Y H >< S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.835 100.9 61.9 -65.2 -34.0 8.6 -2.8 35.9 263 265 C N T 3< S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.440 82.7 79.5 -75.5 0.6 9.2 -0.0 38.5 264 266 C K T < S+ 0 0 132 -3,-1.2 -1,-0.3 -4,-0.2 2,-0.2 0.373 71.8 109.1 -86.7 0.9 7.4 -2.0 41.2 265 267 C Q S < S- 0 0 26 -3,-1.2 31,-0.1 1,-0.1 -3,-0.0 -0.595 88.8 -86.6 -77.9 147.2 10.6 -4.1 41.6 266 268 C R - 0 0 54 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.147 59.9 -95.1 -49.2 133.8 12.8 -3.6 44.8 267 269 C M > - 0 0 101 1,-0.1 4,-1.5 -3,-0.1 -1,-0.1 -0.344 18.6-136.5 -61.1 136.2 15.2 -0.6 44.2 268 270 C P H > S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 107.0 57.3 -58.1 -39.8 18.8 -1.4 42.9 269 271 C Q H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 103.1 56.5 -53.7 -47.3 20.2 1.2 45.5 270 272 C E H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.935 111.5 39.0 -49.1 -62.5 18.5 -0.8 48.2 271 273 C I H X S+ 0 0 29 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.881 116.8 48.7 -61.2 -43.8 20.3 -4.1 47.4 272 274 C T H X S+ 0 0 5 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.739 106.0 59.9 -69.0 -23.7 23.7 -2.6 46.6 273 275 C N H X S+ 0 0 105 -4,-2.0 4,-2.6 -3,-0.5 -1,-0.2 0.962 106.9 45.6 -65.7 -51.4 23.5 -0.6 49.9 274 276 C K H X S+ 0 0 102 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.883 113.8 47.7 -56.7 -49.1 23.3 -3.8 51.9 275 277 C I H < S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 117.8 42.7 -64.0 -37.5 26.1 -5.6 50.0 276 278 C L H < S+ 0 0 22 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.823 105.4 64.4 -76.6 -36.2 28.4 -2.5 50.3 277 279 C K H < S- 0 0 162 -4,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.965 118.1 -7.8 -50.7 -69.1 27.6 -1.7 54.0 278 280 C E S < S- 0 0 89 -4,-1.1 2,-0.3 0, 0.0 -1,-0.2 -0.935 71.1-113.2-136.0 153.0 29.0 -4.8 55.6 279 281 C A - 0 0 65 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.640 32.0-157.0 -87.0 143.7 30.5 -8.1 54.5 280 282 C F - 0 0 43 -2,-0.3 2,-0.1 73,-0.1 -1,-0.0 -0.791 17.7-107.3-117.0 163.3 28.6 -11.3 55.2 281 283 C S > - 0 0 45 -2,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.418 41.5-100.1 -80.7 165.3 29.5 -15.0 55.5 282 284 C A H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.791 125.2 51.2 -57.2 -34.3 28.4 -17.5 52.8 283 285 C E H > S+ 0 0 123 2,-0.2 4,-1.3 1,-0.2 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4,-2.3 2,-0.2 -2,-0.2 0.866 109.1 51.0 -67.5 -37.6 14.9 -14.3 44.6 294 296 C T H X S+ 0 0 20 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.927 114.5 42.8 -66.4 -47.0 11.6 -15.0 46.4 295 297 C N H X S+ 0 0 36 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.884 111.9 55.3 -64.4 -43.0 10.5 -11.4 46.3 296 298 C H H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.925 106.1 50.7 -56.4 -46.7 11.8 -11.1 42.7 297 299 C V H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.818 109.6 52.7 -61.1 -32.4 9.5 -14.0 41.6 298 300 C Q H X S+ 0 0 84 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.937 112.6 41.7 -70.5 -46.6 6.5 -12.3 43.3 299 301 C V H X S+ 0 0 24 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.870 112.9 56.9 -68.8 -34.2 7.1 -9.0 41.5 300 302 C L H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.877 105.4 48.5 -62.1 -45.5 7.8 -10.9 38.2 301 303 C V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.930 112.8 49.9 -62.2 -41.6 4.4 -12.8 38.3 302 304 C E H X S+ 0 0 75 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.931 113.2 45.1 -59.4 -50.8 2.7 -9.4 38.9 303 305 C F H < S+ 0 0 8 -4,-2.7 4,-0.3 1,-0.2 3,-0.3 0.831 111.9 52.9 -58.0 -44.0 4.6 -7.9 35.9 304 306 C T H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.2 0.889 104.0 55.2 -63.2 -44.6 3.9 -10.9 33.7 305 307 C K H 3< S+ 0 0 25 -4,-2.3 6,-0.4 1,-0.3 -1,-0.2 0.740 105.7 53.8 -62.1 -25.5 0.1 -10.8 34.3 306 308 C K T 3< S+ 0 0 83 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.562 81.4 110.7 -86.2 -11.1 0.1 -7.2 33.1 307 309 C L S X S- 0 0 5 -3,-1.5 3,-1.9 -4,-0.3 4,-0.4 -0.477 89.8 -89.0 -64.4 134.1 1.8 -8.0 29.8 308 310 C P T 3 S- 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.222 105.3 -4.6 -53.0 118.0 -0.7 -7.5 27.0 309 311 C G T > S+ 0 0 29 -4,-0.1 3,-2.4 -3,-0.1 4,-0.3 0.231 91.1 121.3 87.3 -11.5 -2.7 -10.7 26.4 310 312 C F G X S+ 0 0 0 -3,-1.9 3,-1.7 1,-0.3 -5,-0.1 0.882 75.5 54.3 -50.4 -43.4 -0.8 -13.0 28.9 311 313 C Q G 3 S+ 0 0 96 -4,-0.4 -1,-0.3 -6,-0.4 4,-0.1 0.532 99.5 62.7 -72.8 -1.5 -4.1 -13.7 30.8 312 314 C T G < S+ 0 0 120 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.375 88.0 102.9 -96.6 -1.4 -5.7 -14.9 27.5 313 315 C L S < S- 0 0 17 -3,-1.7 5,-0.1 -4,-0.3 -4,-0.0 -0.478 89.7 -82.5 -84.1 157.6 -3.2 -17.7 27.2 314 316 C D > - 0 0 85 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.303 41.4-128.4 -54.1 129.8 -3.6 -21.4 27.9 315 317 C H H > S+ 0 0 47 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.818 107.6 49.5 -56.3 -37.6 -3.2 -21.8 31.7 316 318 C E H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 110.7 51.0 -69.6 -35.6 -0.6 -24.6 31.4 317 319 C D H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.875 103.1 59.7 -66.6 -39.4 1.3 -22.5 29.0 318 320 C Q H X S+ 0 0 5 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.891 109.8 42.7 -54.6 -44.0 1.2 -19.6 31.4 319 321 C I H X S+ 0 0 11 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.928 110.5 54.7 -69.1 -48.0 3.1 -21.7 34.0 320 322 C A H X S+ 0 0 15 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.827 111.1 47.3 -55.6 -32.8 5.5 -23.2 31.5 321 323 C L H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.842 112.1 48.7 -75.9 -38.7 6.5 -19.6 30.5 322 324 C L H X S+ 0 0 1 -4,-1.4 4,-1.8 2,-0.2 3,-0.2 0.923 117.5 40.5 -68.0 -44.0 6.9 -18.4 34.1 323 325 C K H < S+ 0 0 48 -4,-2.9 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