==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 22-JUL-04 1U3S . COMPND 2 MOLECULE: ESTROGEN RECEPTOR BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.S.MALAMAS,E.S.MANAS,R.E.MCDEVITT,I.GUNAWAN,Z.B.XU, . 468 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 1 0 1 2 1 1 0 0 0 2 0 0 0 2 0 1 0 0 3 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 . 2 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 1 263 A L 0 0 155 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.0 -2.1 22.0 42.4 2 264 A S > - 0 0 55 1,-0.1 4,-2.1 4,-0.0 3,-0.3 -0.238 360.0-104.6 -71.3 161.2 -3.3 25.5 41.3 3 265 A P H > S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.888 122.8 54.7 -51.3 -41.4 -1.0 28.2 39.9 4 266 A E H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.906 108.6 45.9 -60.9 -44.3 -1.3 29.9 43.2 5 267 A Q H > S+ 0 0 111 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.809 111.2 52.9 -70.9 -28.7 -0.1 26.9 45.2 6 268 A L H X S+ 0 0 11 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.908 108.8 49.3 -72.1 -41.3 2.7 26.3 42.8 7 269 A V H >X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.2 3,-0.5 0.908 107.8 55.6 -63.7 -38.3 4.0 29.8 43.2 8 270 A L H 3X S+ 0 0 77 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.916 105.3 51.7 -60.7 -41.1 3.7 29.4 46.9 9 271 A T H 3< S+ 0 0 36 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.746 108.1 51.6 -68.1 -23.2 6.0 26.4 46.7 10 272 A L H XX S+ 0 0 2 -4,-1.2 4,-1.0 -3,-0.5 3,-0.7 0.883 107.4 52.8 -77.3 -39.3 8.6 28.4 44.7 11 273 A L H >< S+ 0 0 67 -4,-2.3 3,-0.6 1,-0.3 -2,-0.2 0.894 110.8 47.5 -60.1 -39.4 8.5 31.1 47.4 12 274 A E T 3< S+ 0 0 142 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.613 108.3 56.2 -76.7 -13.4 9.2 28.3 49.9 13 275 A A T <4 S+ 0 0 2 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.606 77.2 124.0 -91.4 -14.1 12.0 27.1 47.7 14 276 A E << - 0 0 51 -4,-1.0 -3,-0.0 -3,-0.6 33,-0.0 -0.191 64.5-122.5 -48.0 130.3 13.7 30.5 47.7 15 277 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.250 31.0 -91.6 -73.4 166.2 17.3 30.0 48.9 16 278 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.355 47.0 -91.6 -75.9 159.4 18.7 31.9 52.0 17 279 A H - 0 0 168 -2,-0.1 2,-0.3 1,-0.0 78,-0.1 -0.515 44.9-148.1 -72.6 136.5 20.5 35.2 51.7 18 280 A V - 0 0 18 -2,-0.2 2,-0.3 -3,-0.1 21,-0.0 -0.839 16.5-175.5-112.5 146.6 24.2 34.8 51.3 19 281 A L - 0 0 79 -2,-0.3 76,-0.0 76,-0.1 79,-0.0 -0.951 23.7-143.7-133.5 151.1 27.1 37.0 52.4 20 282 A I - 0 0 2 -2,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.429 38.3-124.5 -96.2 0.3 30.8 36.6 51.7 21 283 A S + 0 0 100 1,-0.2 77,-0.0 0, 0.0 -2,-0.0 0.897 53.8 156.4 58.2 44.7 31.9 37.8 55.2 22 284 A R - 0 0 36 75,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.887 47.1-122.7-106.0 110.6 34.1 40.5 53.7 23 285 A P - 0 0 110 0, 0.0 74,-0.0 0, 0.0 0, 0.0 -0.280 47.6 -91.7 -50.6 123.0 34.8 43.5 56.1 24 286 A S S S+ 0 0 128 74,-0.0 74,-0.1 1,-0.0 73,-0.0 -0.089 75.3 132.9 -40.7 126.2 33.6 46.5 54.1 25 287 A A - 0 0 50 -3,-0.1 -3,-0.0 0, 0.0 -1,-0.0 -0.953 59.5 -66.5-173.0 158.3 36.6 47.8 52.2 26 288 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.188 52.3-120.3 -55.2 144.6 37.8 49.1 48.8 27 289 A F - 0 0 35 4,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.761 28.1-174.8 -94.9 130.5 37.8 46.4 46.0 28 290 A T > - 0 0 81 -2,-0.4 4,-2.0 1,-0.0 5,-0.2 -0.547 43.3 -95.6-108.8 178.9 41.0 45.6 44.1 29 291 A E H > S+ 0 0 115 -2,-0.2 4,-1.5 2,-0.2 5,-0.2 0.883 123.1 43.6 -65.7 -39.7 41.3 43.2 41.1 30 292 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 117.0 44.7 -71.4 -49.0 42.3 40.2 43.2 31 293 A S H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.824 110.6 56.0 -66.4 -31.1 39.7 40.7 45.9 32 294 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.967 113.5 36.5 -67.7 -51.3 36.9 41.5 43.5 33 295 A M H X S+ 0 0 12 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.853 115.9 56.6 -67.6 -33.8 37.2 38.2 41.4 34 296 A M H X S+ 0 0 60 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.924 110.5 44.9 -61.0 -44.5 38.0 36.4 44.7 35 297 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.893 112.6 49.9 -67.5 -43.9 34.7 37.7 46.1 36 298 A L H X S+ 0 0 29 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.942 115.2 42.1 -62.3 -47.6 32.6 37.0 43.0 37 299 A T H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 182,-0.2 0.866 113.0 53.1 -69.0 -36.2 33.8 33.3 42.7 38 300 A K H X S+ 0 0 74 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.867 114.1 43.1 -66.0 -36.4 33.6 32.7 46.4 39 301 A L H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.875 110.3 53.9 -75.9 -42.8 30.0 33.9 46.4 40 302 A A H X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.911 109.5 51.8 -58.4 -40.4 28.9 32.1 43.2 41 303 A D H X S+ 0 0 28 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.902 109.9 46.1 -64.6 -43.6 30.3 28.9 44.9 42 304 A K H >X S+ 0 0 76 -4,-1.4 4,-1.2 1,-0.2 3,-0.6 0.960 114.0 49.2 -63.7 -48.8 28.2 29.4 48.1 43 305 A E H 3X S+ 0 0 35 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.805 100.8 64.2 -60.3 -32.5 25.1 30.2 46.1 44 306 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.909 100.0 53.6 -58.4 -41.4 25.5 27.2 43.8 45 307 A V H < S+ 0 0 4 -4,-2.4 3,-1.1 1,-0.2 4,-0.2 0.929 108.4 49.6 -56.7 -47.3 16.3 25.3 45.7 51 313 A A H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.820 105.3 56.3 -61.9 -36.1 15.8 23.2 42.5 52 314 A K H 3< S+ 0 0 41 -4,-1.8 6,-0.3 1,-0.3 -1,-0.3 0.577 101.2 59.7 -74.3 -10.5 14.9 20.0 44.4 53 315 A K T << S+ 0 0 107 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.468 78.9 100.8 -94.3 -5.7 12.1 21.9 46.1 54 316 A I S X S- 0 0 1 -3,-1.2 3,-2.8 -4,-0.2 4,-0.4 -0.736 92.7-103.4 -81.9 115.7 10.5 22.7 42.8 55 317 A P T 3 S+ 0 0 45 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.052 102.0 9.7 -40.4 127.1 7.7 20.1 42.6 56 318 A G T > S+ 0 0 17 -4,-0.1 3,-0.7 1,-0.0 4,-0.1 0.223 93.4 109.6 86.5 -14.1 8.6 17.3 40.2 57 319 A F G X S+ 0 0 0 -3,-2.8 3,-1.6 1,-0.2 -5,-0.1 0.921 79.7 49.7 -61.3 -44.2 12.3 18.2 39.8 58 320 A V G 3 S+ 0 0 71 -4,-0.4 -1,-0.2 -6,-0.3 -6,-0.1 0.657 101.2 66.1 -68.3 -15.7 13.5 15.2 41.8 59 321 A E G < S+ 0 0 117 -3,-0.7 -1,-0.3 97,-0.1 -2,-0.2 0.399 83.4 94.7 -86.1 2.1 11.2 13.0 39.7 60 322 A L S < S- 0 0 8 -3,-1.6 93,-0.0 1,-0.1 94,-0.0 -0.518 93.5 -90.5 -85.8 160.6 13.3 13.8 36.6 61 323 A S > - 0 0 50 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.279 36.5-114.1 -64.7 162.3 16.1 11.3 35.7 62 324 A L H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 116.8 59.8 -67.5 -32.7 19.5 12.2 37.2 63 325 A F H > S+ 0 0 141 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 108.2 43.7 -61.2 -42.4 20.9 12.9 33.8 64 326 A D H > S+ 0 0 23 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.954 111.8 50.8 -69.0 -50.4 18.3 15.6 33.2 65 327 A Q H X S+ 0 0 12 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.895 115.8 44.2 -52.9 -44.6 18.6 17.2 36.7 66 328 A V H X S+ 0 0 22 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.948 115.1 47.0 -66.2 -50.8 22.3 17.4 36.2 67 329 A R H X S+ 0 0 74 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.840 110.5 52.8 -62.0 -36.4 22.1 18.6 32.6 68 330 A L H X S+ 0 0 3 -4,-3.3 4,-1.7 1,-0.2 79,-0.3 0.896 113.6 42.2 -67.6 -40.6 19.5 21.3 33.4 69 331 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.863 111.0 54.2 -75.1 -36.5 21.6 22.8 36.2 70 332 A E H < S+ 0 0 67 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.824 113.5 46.5 -65.4 -28.6 24.9 22.6 34.4 71 333 A S H < S+ 0 0 34 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.873 124.0 26.2 -80.8 -39.1 23.2 24.5 31.6 72 334 A C H >X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.1 3,-1.2 0.551 82.8 105.0-106.0 -10.1 21.4 27.3 33.6 73 335 A W H 3X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.3 5,-0.1 0.827 86.2 47.8 -44.4 -41.9 23.4 27.8 36.8 74 336 A M H 3> S+ 0 0 22 -4,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.849 111.5 50.2 -69.7 -33.4 24.9 31.1 35.6 75 337 A E H <> S+ 0 0 3 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.864 109.3 50.4 -71.2 -38.8 21.6 32.5 34.4 76 338 A V H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.873 109.8 51.5 -68.2 -35.4 19.9 31.7 37.7 77 339 A L H X S+ 0 0 21 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.960 113.4 44.3 -64.9 -47.4 22.7 33.5 39.5 78 340 A M H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.880 110.7 53.7 -64.7 -37.1 22.3 36.5 37.3 79 341 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.859 110.0 48.6 -65.3 -32.9 18.5 36.5 37.6 80 342 A G H X S+ 0 0 4 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.830 109.5 53.6 -74.3 -31.4 18.9 36.5 41.3 81 343 A L H X S+ 0 0 4 -4,-1.8 4,-1.3 2,-0.2 12,-0.3 0.949 107.7 49.4 -66.0 -48.0 21.3 39.3 41.0 82 344 A M H X S+ 0 0 2 -4,-2.8 4,-1.3 1,-0.2 3,-0.2 0.877 108.3 52.7 -61.8 -39.3 18.9 41.4 39.0 83 345 A W H < S+ 0 0 60 -4,-1.7 3,-0.5 1,-0.2 4,-0.3 0.941 111.0 47.5 -61.5 -45.9 16.0 40.9 41.5 84 346 A R H < S+ 0 0 61 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.709 115.7 44.6 -67.4 -22.7 18.2 42.1 44.3 85 347 A S H >< S+ 0 0 0 -4,-1.3 3,-2.7 -3,-0.2 6,-0.2 0.586 82.9 98.6 -97.9 -11.5 19.4 45.1 42.5 86 348 A I T 3< S+ 0 0 11 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.1 0.798 85.3 47.4 -46.6 -36.7 16.1 46.1 41.1 87 349 A D T 3 S+ 0 0 134 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.139 104.9 64.5 -94.5 20.9 15.6 48.8 43.9 88 350 A H S X S- 0 0 74 -3,-2.7 3,-2.3 3,-0.2 -1,-0.2 -0.543 74.5-153.1-143.1 74.2 19.1 50.3 43.5 89 351 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.138 82.2 20.0 -48.7 138.7 19.6 52.0 40.2 90 352 A G T 3 S+ 0 0 46 1,-0.2 2,-0.3 29,-0.1 12,-0.3 0.124 109.9 89.8 88.9 -21.2 23.3 52.0 39.2 91 353 A K < - 0 0 75 -3,-2.3 2,-0.6 -6,-0.2 -3,-0.2 -0.761 62.1-145.2-114.6 157.9 24.4 49.2 41.5 92 354 A L E -A 100 0A 1 8,-1.6 2,-1.9 -2,-0.3 8,-1.4 -0.926 15.0-155.7-118.1 102.5 24.6 45.4 41.4 93 355 A I E +A 99 0A 20 -2,-0.6 6,-0.2 -12,-0.3 -9,-0.1 -0.519 28.0 160.4 -81.0 78.2 23.8 43.9 44.7 94 356 A F E S- 0 0 26 -2,-1.9 -1,-0.2 4,-0.9 5,-0.2 0.934 76.9 -20.3 -62.6 -42.4 25.6 40.6 44.5 95 357 A A E > S-A 98 0A 2 3,-1.4 3,-2.4 -3,-0.3 -1,-0.3 -0.973 70.8-100.6-159.6 157.6 25.4 40.4 48.3 96 358 A P T 3 S+ 0 0 87 0, 0.0 3,-0.2 0, 0.0 -77,-0.1 0.872 127.9 38.9 -51.8 -38.5 24.9 42.9 51.2 97 359 A D T 3 S+ 0 0 37 1,-0.2 -75,-0.1 -4,-0.1 2,-0.1 0.084 114.7 59.2-100.4 23.1 28.6 42.9 51.8 98 360 A L E < +A 95 0A 0 -3,-2.4 -3,-1.4 -74,-0.1 -4,-0.9 -0.587 64.0 155.6-150.5 78.6 29.5 42.8 48.1 99 361 A V E -A 93 0A 46 -6,-0.2 2,-0.4 -3,-0.2 -6,-0.2 -0.938 19.1-167.0-113.2 128.3 28.1 45.8 46.2 100 362 A L E -A 92 0A 1 -8,-1.4 -8,-1.6 -2,-0.5 2,-0.1 -0.901 12.2-155.3-123.6 145.5 29.7 47.1 42.9 101 363 A D > - 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0 0 149 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.982 26.6-147.8 59.7 56.6 2.9 24.0 14.7 369 392 B L < - 0 0 7 -5,-2.0 2,-0.3 1,-0.1 -1,-0.1 -0.313 9.8-137.0 -56.4 135.5 4.4 27.5 14.1 370 393 B Q >> - 0 0 112 1,-0.1 4,-2.8 -3,-0.1 3,-1.0 -0.754 17.1-115.3-101.2 146.8 2.4 29.5 11.6 371 394 B H H 3> S+ 0 0 75 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.870 117.1 49.3 -42.3 -50.3 3.8 31.6 8.8 372 395 B K H 3> S+ 0 0 58 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.827 111.0 48.7 -63.5 -33.3 2.3 34.8 10.3 373 396 B E H <> S+ 0 0 5 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.920 109.6 54.2 -71.2 -42.3 3.7 34.0 13.8 374 397 B Y H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.898 104.0 54.0 -55.8 -48.5 7.1 33.3 12.2 375 398 B L H X S+ 0 0 4 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.913 113.3 43.0 -54.0 -46.6 7.2 36.7 10.5 376 399 B C H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.917 112.8 52.0 -66.9 -45.8 6.6 38.4 13.9 377 400 B V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.936 108.2 50.2 -58.1 -49.1 9.0 36.3 15.8 378 401 B K H X S+ 0 0 10 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.853 112.1 48.0 -59.4 -36.2 11.9 36.8 13.4 379 402 B A H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.821 108.7 54.3 -74.3 -31.8 11.4 40.6 13.6 380 403 B M H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.887 102.5 58.1 -69.0 -36.6 11.2 40.5 17.4 381 404 B I H X S+ 0 0 5 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.953 110.7 42.7 -55.9 -50.5 14.5 38.7 17.4 382 405 B L H < S+ 0 0 0 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.873 117.4 45.1 -62.8 -41.8 16.1 41.7 15.6 383 406 B L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.644 114.8 49.7 -78.9 -14.1 14.3 44.3 17.7 384 407 B N H < S+ 0 0 3 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.524 78.9 89.1-103.3 -12.0 15.0 42.5 21.0 385 408 B S < 0 0 11 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.1 0.668 360.0 360.0 -57.4 -12.1 18.8 41.9 20.6 386 409 B S 0 0 80 -3,-0.2 -1,-0.1 -4,-0.1 -79,-0.1 0.335 360.0 360.0 -7.6 360.0 18.8 45.3 22.2 387 ! 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 0.0 388 422 B S > 0 0 60 0, 0.0 4,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -39.4 16.0 56.6 19.9 389 423 B S H > + 0 0 72 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.848 360.0 48.8 -65.1 -34.5 16.0 54.0 22.7 390 424 B R H > S+ 0 0 194 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.741 106.2 58.1 -75.5 -24.2 12.4 54.8 23.5 391 425 B K H > S+ 0 0 91 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.682 102.9 53.1 -78.1 -20.3 11.6 54.4 19.7 392 426 B L H X S+ 0 0 20 -4,-0.9 4,-1.9 -3,-0.3 -2,-0.2 0.821 105.7 54.5 -81.5 -34.6 12.9 50.9 19.8 393 427 B A H X S+ 0 0 42 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.875 108.6 46.3 -67.3 -39.8 10.7 50.0 22.7 394 428 B H H X S+ 0 0 135 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.759 111.4 54.4 -74.5 -22.2 7.5 51.1 20.9 395 429 B L H X S+ 0 0 19 -4,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.849 108.6 47.7 -75.7 -37.1 8.7 49.2 17.8 396 430 B L H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.856 112.2 48.9 -72.3 -36.6 9.1 46.0 19.8 397 431 B N H X S+ 0 0 48 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.869 106.7 57.4 -70.9 -34.9 5.7 46.5 21.4 398 432 B A H X S+ 0 0 33 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.934 112.4 40.0 -59.8 -47.2 4.2 47.1 17.9 399 433 B V H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.851 113.6 54.0 -72.0 -35.3 5.5 43.7 16.7 400 434 B T H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.957 107.8 51.5 -61.8 -46.4 4.6 42.0 20.0 401 435 B D H X S+ 0 0 51 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.878 109.2 51.1 -55.9 -39.8 1.1 43.4 19.5 402 436 B A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.954 108.6 49.1 -64.8 -49.4 1.0 41.9 16.0 403 437 B L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 112.5 50.3 -55.5 -40.5 2.2 38.4 17.2 404 438 B V H X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.871 111.0 48.3 -64.5 -39.7 -0.6 38.7 19.9 405 439 B W H X S+ 0 0 71 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.891 110.9 50.8 -69.1 -39.0 -3.1 39.6 17.2 406 440 B V H < S+ 0 0 12 -4,-2.9 3,-0.3 2,-0.2 -2,-0.2 0.938 112.1 45.6 -64.0 -48.0 -2.1 36.7 14.9 407 441 B I H >< S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 5,-0.4 0.868 110.2 55.5 -62.4 -38.1 -2.3 34.1 17.7 408 442 B A H >< S+ 0 0 38 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.812 98.0 63.2 -65.0 -29.7 -5.7 35.6 18.7 409 443 B K T 3< S+ 0 0 122 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.367 87.8 73.0 -77.7 7.5 -7.0 35.1 15.2 410 444 B S T < S- 0 0 69 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.641 100.8-129.4 -93.1 -17.7 -6.5 31.3 15.6 411 445 B G < + 0 0 64 -3,-1.3 -3,-0.1 -4,-0.3 -2,-0.1 0.386 55.1 143.8 88.0 -5.3 -9.5 31.1 17.9 412 446 B I - 0 0 60 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.325 64.1 -79.3 -65.5 154.7 -7.9 29.1 20.8 413 447 B S > - 0 0 65 1,-0.1 4,-1.2 3,-0.1 5,-0.1 -0.034 40.7-109.2 -50.7 157.9 -9.2 30.2 24.2 414 448 B S H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.857 121.1 53.2 -58.5 -36.7 -7.8 33.3 25.7 415 449 B Q H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 110.4 46.8 -65.5 -42.8 -6.0 31.2 28.3 416 450 B Q H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.622 104.1 61.8 -73.9 -16.5 -4.4 29.1 25.5 417 451 B Q H X S+ 0 0 47 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.893 107.0 45.3 -74.2 -39.8 -3.5 32.2 23.6 418 452 B S H X S+ 0 0 12 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.901 112.4 50.9 -67.6 -42.6 -1.3 33.3 26.6 419 453 B M H X S+ 0 0 6 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.889 111.6 47.0 -63.6 -40.1 0.2 29.8 26.8 420 454 B R H X S+ 0 0 44 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.877 110.1 53.1 -69.9 -36.7 1.0 29.7 23.1 421 455 B L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 113.1 45.1 -62.1 -42.4 2.5 33.2 23.3 422 456 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.939 112.2 50.2 -66.8 -48.5 4.7 32.0 26.2 423 457 B N H X S+ 0 0 20 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.832 112.3 47.5 -61.0 -34.5 5.7 28.7 24.5 424 458 B L H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 4,-0.2 0.943 114.1 45.5 -72.4 -48.0 6.7 30.5 21.3 425 459 B L H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.766 99.3 67.8 -68.7 -27.7 8.8 33.2 23.0 426 460 B M H >X S+ 0 0 3 -4,-2.2 3,-1.1 1,-0.3 4,-0.6 0.863 92.9 63.7 -60.4 -31.6 10.6 30.8 25.4 427 461 B L H S+ 0 0 3 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.891 89.0 55.6 -58.1 -38.5 14.0 32.8 21.7 429 463 B S H <> S+ 0 0 2 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.2 0.905 104.9 51.7 -58.3 -46.6 16.6 31.9 24.3 430 464 B H H X S+ 0 0 16 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.922 109.7 49.5 -58.1 -45.1 17.5 28.6 22.5 431 465 B V H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.898 111.1 49.7 -61.1 -41.6 17.9 30.6 19.3 432 466 B R H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.859 111.2 49.7 -66.2 -35.7 20.2 33.1 21.1 433 467 B H H X S+ 0 0 31 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.944 110.9 47.7 -68.5 -48.2 22.2 30.2 22.6 434 468 B A H X S+ 0 0 2 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.923 109.7 54.7 -58.1 -43.1 22.7 28.5 19.3 435 469 B S H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.935 108.6 49.3 -55.7 -46.2 23.7 31.8 17.8 436 470 B N H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.931 114.6 42.2 -59.1 -50.0 26.4 32.1 20.5 437 471 B K H X S+ 0 0 62 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.897 115.7 52.1 -65.0 -39.7 27.8 28.6 19.9 438 472 B G H X S+ 0 0 6 -4,-3.5 4,-2.5 -5,-0.2 -2,-0.2 0.880 111.5 43.9 -65.2 -41.3 27.5 29.1 16.2 439 473 B M H X S+ 0 0 30 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.881 112.9 51.0 -73.1 -36.7 29.4 32.4 16.1 440 474 B E H X S+ 0 0 67 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.940 113.2 47.5 -63.2 -44.7 32.1 31.2 18.4 441 475 B H H X S+ 0 0 20 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.952 111.8 49.6 -59.4 -51.7 32.5 28.2 16.2 442 476 B L H X S+ 0 0 17 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.910 109.2 50.5 -54.9 -48.3 32.6 30.3 13.0 443 477 B L H X S+ 0 0 53 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.884 110.9 52.0 -58.6 -36.3 35.2 32.7 14.4 444 478 B N H X S+ 0 0 88 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.912 106.1 51.6 -63.3 -46.0 37.2 29.6 15.3 445 479 B M H X>S+ 0 0 8 -4,-2.4 5,-0.7 1,-0.2 4,-0.7 0.761 108.3 54.0 -64.8 -25.8 37.0 28.2 11.8 446 480 B K H ><5S+ 0 0 68 -4,-1.6 3,-0.6 -5,-0.2 -1,-0.2 0.897 106.9 49.2 -74.2 -41.2 38.3 31.6 10.6 447 481 B C H 3<5S+ 0 0 90 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.803 108.3 55.5 -66.7 -29.0 41.3 31.5 12.8 448 482 B K H 3<5S- 0 0 132 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.711 105.8-129.8 -74.6 -23.0 42.0 27.9 11.6 449 483 B N T <<5 + 0 0 139 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.381 65.3 138.2 84.6 -0.8 42.0 29.1 7.9 450 484 B V S - 0 0 72 -2,-0.9 4,-2.5 3,-0.1 5,-0.2 0.152 22.8-100.4 -46.5 163.2 34.2 37.3 3.3 455 489 B D H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.928 119.8 35.9 -55.3 -57.1 34.2 41.1 4.0 456 490 B L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.945 118.2 52.3 -65.4 -46.3 30.6 41.5 5.1 457 491 B L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.850 111.0 49.0 -57.6 -34.9 30.5 38.2 6.9 458 492 B L H X S+ 0 0 46 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.906 107.1 53.2 -72.6 -42.6 33.7 39.2 8.7 459 493 B E H X S+ 0 0 72 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.951 113.3 44.4 -55.5 -51.2 32.4 42.6 9.8 460 494 B M H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 109.7 55.5 -60.6 -43.6 29.3 40.9 11.3 461 495 B L H < S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.883 117.6 35.8 -57.9 -39.5 31.4 38.2 12.9 462 496 B N H < 0 0 106 -4,-2.2 -2,-0.2 -3,-0.1 -1,-0.2 0.844 360.0 360.0 -83.4 -37.8 33.5 40.8 14.7 463 497 B A < 0 0 75 -4,-3.1 -3,-0.1 -5,-0.2 -4,-0.1 0.929 360.0 360.0 56.4 360.0 30.8 43.4 15.4 464 !* 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 0.0 465 605 D K > 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -39.2 30.4 47.6 4.3 466 606 D L H > + 0 0 1 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 360.0 46.3 -71.6 -45.2 27.6 47.0 6.8 467 607 D V H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.825 110.0 56.3 -64.4 -32.0 27.1 50.8 7.1 468 608 D Q H >>S+ 0 0 104 2,-0.2 4,-3.5 1,-0.2 5,-0.9 0.969 107.7 45.6 -65.6 -52.6 27.3 51.1 3.3 469 609 D L H X5S+ 0 0 23 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.876 113.8 50.2 -59.1 -39.2 24.4 48.7 2.7 470 610 D L H <5S+ 0 0 4 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.889 130.7 15.6 -67.5 -39.6 22.3 50.3 5.4 471 611 D T H <5S+ 0 0 86 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.792 124.9 51.7-104.7 -37.1 22.8 53.9 4.1 472 612 D T H <5 0 0 112 -4,-3.5 -3,-0.2 -5,-0.4 -2,-0.1 0.800 360.0 360.0 -73.0 -31.6 24.2 53.6 0.5 473 613 D T << 0 0 121 -5,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.546 360.0 360.0-122.7 360.0 21.5 51.3 -0.8