==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 27-JUL-07 2QR9 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.W.NETTLES,J.B.BRUNING . 505 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 74.7 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 . 12 2.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 11 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 2 1 0 0 1 1 0 0 2 0 0 0 0 1 2 1 1 1 0 0 2 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 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 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 1 305 A S > 0 0 99 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -62.5 29.0 -20.5 2.1 2 306 A L T 4 + 0 0 73 1,-0.2 4,-0.2 2,-0.2 3,-0.1 0.756 360.0 34.1 -48.6 -41.9 29.3 -18.2 -0.9 3 307 A A T >4 S+ 0 0 4 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.768 111.5 59.0 -90.0 -32.9 27.8 -15.1 0.8 4 308 A L T 34 S+ 0 0 55 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.603 105.1 54.4 -72.7 -10.6 29.1 -15.6 4.3 5 309 A S T 3< S+ 0 0 89 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.532 81.9 109.8 -98.9 -9.6 32.7 -15.6 2.9 6 310 A L < - 0 0 44 -3,-0.7 2,-0.1 -4,-0.2 -3,-0.0 -0.374 68.0-123.9 -67.5 144.4 32.6 -12.2 1.1 7 311 A T > - 0 0 68 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.419 30.5-104.5 -73.6 162.7 34.6 -9.3 2.5 8 312 A A H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 125.1 49.5 -54.6 -46.8 32.7 -6.0 3.3 9 313 A D H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 111.4 49.1 -59.3 -39.0 34.2 -4.5 0.1 10 314 A Q H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.828 108.4 52.9 -72.1 -32.8 33.1 -7.5 -1.9 11 315 A M H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.967 111.8 45.6 -62.1 -53.8 29.6 -7.4 -0.5 12 316 A V H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.917 113.0 50.2 -54.5 -48.0 29.2 -3.8 -1.5 13 317 A S H X S+ 0 0 62 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.926 110.8 49.6 -56.9 -48.0 30.7 -4.5 -4.9 14 318 A A H X S+ 0 0 28 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.915 113.2 46.5 -57.4 -43.8 28.3 -7.5 -5.5 15 319 A L H < S+ 0 0 1 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.907 112.8 48.8 -69.3 -39.5 25.2 -5.3 -4.4 16 320 A L H >< S+ 0 0 70 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.904 111.5 49.9 -64.1 -43.3 26.3 -2.4 -6.6 17 321 A D H 3< S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.829 108.0 55.1 -63.9 -33.7 26.8 -4.7 -9.6 18 322 A A T 3< S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.486 78.4 128.7 -80.9 -7.3 23.4 -6.3 -9.1 19 323 A E < - 0 0 60 -3,-1.0 -3,-0.1 -4,-0.5 32,-0.0 -0.252 57.7-128.6 -54.4 133.7 21.5 -2.9 -9.2 20 324 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.296 29.8-101.8 -75.9 164.5 18.6 -2.9 -11.6 21 325 A P - 0 0 77 0, 0.0 2,-0.5 0, 0.0 29,-0.1 -0.351 32.5-100.2 -83.2 166.8 18.4 0.0 -14.2 22 326 A I - 0 0 98 -2,-0.1 2,-0.3 77,-0.0 77,-0.1 -0.777 42.9-147.5 -84.2 125.4 16.2 3.1 -14.1 23 327 A L - 0 0 27 -2,-0.5 2,-0.3 75,-0.2 20,-0.0 -0.685 5.5-126.4 -94.7 151.2 13.2 2.5 -16.4 24 328 A Y - 0 0 133 -2,-0.3 2,-0.1 75,-0.2 3,-0.1 -0.657 13.3-138.7 -89.0 152.0 11.3 5.1 -18.4 25 329 A S - 0 0 10 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.243 47.1 -67.3 -85.3-173.7 7.6 5.7 -18.3 26 330 A E 0 0 95 1,-0.1 -1,-0.1 -2,-0.1 13,-0.0 -0.582 360.0 360.0 -82.8 142.6 5.7 6.4 -21.4 27 331 A Y 0 0 271 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.409 360.0 360.0 -84.8 360.0 6.2 9.6 -23.5 28 ! 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 29 335 A R 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.2 -0.7 15.2 -22.8 30 336 A P - 0 0 123 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.226 360.0-116.6 -59.2 148.6 -2.6 16.1 -19.6 31 337 A F - 0 0 93 4,-0.0 2,-0.2 3,-0.0 3,-0.0 -0.307 25.1-172.1 -83.4 164.0 -3.2 13.4 -16.9 32 338 A S > - 0 0 62 -2,-0.1 4,-1.4 1,-0.0 5,-0.2 -0.807 43.4 -94.6-135.7-177.3 -6.3 11.8 -15.5 33 339 A E H > S+ 0 0 60 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.932 124.7 40.1 -66.5 -47.1 -6.8 9.3 -12.5 34 340 A A H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 116.1 49.7 -68.2 -46.0 -6.7 6.2 -14.7 35 341 A S H > S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.770 111.7 50.8 -65.4 -28.4 -3.8 7.5 -17.0 36 342 A M H X S+ 0 0 15 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.960 114.6 39.1 -74.8 -53.8 -1.8 8.4 -13.9 37 343 A M H X S+ 0 0 18 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.783 111.9 61.7 -67.9 -27.3 -2.1 5.1 -12.1 38 344 A G H X S+ 0 0 18 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.911 104.5 46.2 -63.0 -44.9 -1.7 3.3 -15.4 39 345 A L H X S+ 0 0 28 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.948 116.3 46.0 -61.9 -46.6 1.7 4.8 -15.9 40 346 A L H X S+ 0 0 34 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.886 115.8 44.5 -64.4 -42.3 2.7 3.9 -12.3 41 347 A T H X S+ 0 0 15 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.888 113.4 50.7 -70.0 -41.1 1.3 0.3 -12.5 42 348 A N H X S+ 0 0 62 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.946 115.4 44.8 -58.4 -44.3 2.9 -0.2 -16.0 43 349 A L H X S+ 0 0 3 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.962 111.7 49.8 -62.3 -55.5 6.1 1.0 -14.5 44 350 A A H X S+ 0 0 16 -4,-3.1 4,-2.2 1,-0.3 -1,-0.2 0.867 109.2 54.2 -52.3 -42.6 5.9 -1.0 -11.3 45 351 A D H X S+ 0 0 42 -4,-2.2 4,-1.3 2,-0.2 -1,-0.3 0.937 110.4 44.8 -60.5 -47.2 5.2 -4.1 -13.4 46 352 A R H X S+ 0 0 74 -4,-2.0 4,-1.3 1,-0.2 3,-0.3 0.913 112.9 52.2 -66.1 -36.2 8.3 -3.6 -15.5 47 353 A E H X S+ 0 0 33 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.810 102.1 60.3 -66.8 -33.3 10.4 -2.9 -12.3 48 354 A L H X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.874 99.7 55.7 -61.6 -40.2 9.2 -6.1 -10.7 49 355 A V H X S+ 0 0 64 -4,-1.3 4,-1.3 -3,-0.3 3,-0.3 0.952 112.2 42.4 -61.0 -46.7 10.7 -8.2 -13.5 50 356 A H H X S+ 0 0 74 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.835 107.8 61.4 -66.2 -31.6 14.1 -6.6 -12.9 51 357 A M H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.857 101.1 52.9 -62.0 -37.5 13.7 -6.8 -9.1 52 358 A I H X S+ 0 0 2 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.923 109.5 48.5 -67.4 -40.2 13.5 -10.6 -9.3 53 359 A N H < S+ 0 0 73 -4,-1.3 4,-0.4 1,-0.2 -2,-0.2 0.875 112.0 49.2 -67.2 -32.5 16.7 -10.7 -11.2 54 360 A W H >< S+ 0 0 5 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.868 106.2 56.8 -71.2 -37.9 18.3 -8.4 -8.6 55 361 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 6,-0.2 0.888 99.8 59.1 -61.4 -41.1 17.1 -10.6 -5.7 56 362 A K T 3< S+ 0 0 52 -4,-1.8 6,-0.4 1,-0.3 -1,-0.3 0.702 106.7 48.8 -58.4 -24.2 18.8 -13.6 -7.3 57 363 A R T < S+ 0 0 144 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.441 80.3 108.0-100.3 -1.3 22.1 -11.7 -7.0 58 364 A V S X S- 0 0 3 -3,-1.5 3,-2.6 -4,-0.4 4,-0.5 -0.677 86.5-107.5 -72.9 114.0 21.6 -10.6 -3.3 59 365 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.133 102.9 19.5 -50.4 137.0 24.2 -12.8 -1.6 60 366 A G T > S+ 0 0 5 -4,-0.1 3,-1.1 -3,-0.0 4,-0.5 -0.054 98.5 97.9 95.5 -32.1 22.5 -15.5 0.4 61 367 A F G X S+ 0 0 0 -3,-2.6 3,-1.9 1,-0.3 -5,-0.1 0.935 80.1 50.3 -64.8 -46.9 19.2 -15.3 -1.5 62 368 A V G 3 S+ 0 0 86 -4,-0.5 -1,-0.3 -6,-0.4 -6,-0.1 0.628 98.3 69.9 -69.9 -8.7 19.8 -18.2 -3.9 63 369 A D G < S+ 0 0 71 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.703 88.1 85.1 -71.4 -21.9 20.8 -20.4 -0.9 64 370 A L S < S- 0 0 8 -3,-1.9 -4,-0.0 -4,-0.5 5,-0.0 -0.416 91.5 -95.3 -80.8 157.7 17.1 -20.3 0.2 65 371 A T > - 0 0 42 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.293 34.0-112.5 -61.5 154.0 14.3 -22.6 -1.1 66 372 A L H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.845 119.0 55.8 -54.2 -40.3 12.1 -21.4 -4.0 67 373 A H H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 110.1 44.8 -56.3 -49.7 9.1 -21.2 -1.5 68 374 A D H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.879 111.5 50.8 -68.4 -37.8 11.1 -19.0 0.8 69 375 A Q H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.905 111.5 50.2 -66.1 -38.9 12.4 -16.7 -2.0 70 376 A V H X S+ 0 0 14 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.915 111.4 48.1 -61.9 -44.9 8.8 -16.4 -3.3 71 377 A H H X S+ 0 0 41 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.924 111.4 49.9 -63.6 -47.3 7.6 -15.5 0.3 72 378 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.942 114.2 44.7 -58.8 -48.3 10.3 -12.9 0.8 73 379 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.924 111.3 52.7 -64.0 -43.3 9.6 -11.2 -2.6 74 380 A E H < S+ 0 0 33 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.888 116.9 40.1 -57.5 -36.2 5.8 -11.3 -2.0 75 381 A C H < S+ 0 0 14 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.889 124.2 36.6 -77.7 -38.3 6.3 -9.6 1.4 76 382 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.539 84.5 96.4 -94.8 -14.1 9.0 -7.1 0.3 77 383 A W H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.860 88.4 40.8 -62.9 -43.9 8.2 -6.0 -3.2 78 384 A L H > S+ 0 0 17 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.885 114.0 54.0 -72.4 -35.2 6.4 -2.7 -2.6 79 385 A E H > S+ 0 0 2 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.891 110.7 48.7 -58.2 -41.4 8.9 -1.7 0.2 80 386 A I H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 110.4 49.0 -67.6 -44.1 11.7 -2.3 -2.4 81 387 A L H X S+ 0 0 17 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.897 113.8 47.9 -59.8 -40.2 9.9 -0.3 -5.1 82 388 A M H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.894 109.0 50.4 -73.9 -39.6 9.4 2.6 -2.6 83 389 A I H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.956 111.9 50.6 -63.5 -40.8 13.0 2.6 -1.3 84 390 A G H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.953 111.3 47.5 -54.9 -52.1 14.2 2.8 -4.9 85 391 A L H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 12,-0.4 0.935 113.1 47.8 -54.9 -49.6 11.8 5.7 -5.6 86 392 A V H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 3,-0.4 0.949 112.1 50.0 -58.3 -52.5 12.9 7.6 -2.5 87 393 A W H >< S+ 0 0 69 -4,-3.2 3,-1.2 1,-0.2 4,-0.3 0.936 112.1 48.0 -46.3 -54.6 16.6 7.0 -3.4 88 394 A R H 3< S+ 0 0 41 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.754 111.2 51.6 -56.8 -32.7 16.0 8.2 -7.0 89 395 A S H >< S+ 0 0 0 -4,-1.7 3,-2.4 -3,-0.4 6,-0.3 0.537 78.2 103.5 -88.1 -9.6 14.2 11.3 -5.7 90 396 A M T << S+ 0 0 38 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.1 0.819 84.0 42.9 -37.9 -55.8 16.9 12.4 -3.2 91 397 A E T 3 S+ 0 0 83 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.240 103.1 73.7 -83.5 12.1 18.3 15.3 -5.3 92 398 A H S X S- 0 0 65 -3,-2.4 3,-2.4 3,-0.2 -1,-0.2 -0.618 75.5-155.7-126.7 66.9 14.8 16.5 -6.3 93 399 A P T 3 S+ 0 0 76 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.200 79.8 11.4 -45.8 129.4 13.4 18.2 -3.1 94 400 A G T 3 S+ 0 0 39 1,-0.2 12,-1.2 29,-0.2 2,-0.3 0.403 114.3 88.6 85.5 -1.9 9.5 18.1 -3.3 95 401 A K E < -A 105 0A 94 -3,-2.4 2,-0.6 -6,-0.3 10,-0.2 -0.937 65.7-137.4-131.8 150.5 9.3 15.7 -6.2 96 402 A L E -A 104 0A 0 8,-3.2 8,-3.2 -2,-0.3 2,-1.5 -0.948 14.1-148.9-104.8 119.4 9.1 12.0 -6.8 97 403 A L E +A 103 0A 21 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.647 26.6 167.2 -84.7 79.2 11.3 10.7 -9.7 98 404 A F E S- 0 0 21 -2,-1.5 -75,-0.2 4,-1.3 -1,-0.2 0.899 77.2 -17.8 -57.4 -43.6 9.1 7.8 -10.7 99 405 A A E > S-A 102 0A 0 3,-1.3 3,-2.9 -3,-0.2 -1,-0.3 -0.936 81.3 -92.9-154.4 166.6 11.2 7.6 -13.9 100 406 A P T 3 S+ 0 0 55 0, 0.0 3,-0.2 0, 0.0 -76,-0.1 0.773 130.2 39.0 -56.5 -27.3 13.5 10.2 -15.5 101 407 A N T 3 S+ 0 0 68 1,-0.2 2,-0.2 -4,-0.1 -77,-0.1 0.112 111.4 59.9-107.0 16.8 10.5 11.4 -17.6 102 408 A L E < +A 99 0A 7 -3,-2.9 -3,-1.3 2,-0.0 -4,-1.3 -0.667 61.5 159.5-142.7 75.0 7.8 11.1 -14.9 103 409 A L E -A 97 0A 65 -6,-0.2 2,-0.5 -5,-0.2 -6,-0.3 -0.940 24.6-162.6-101.1 112.8 9.1 13.4 -12.2 104 410 A L E -A 96 0A 7 -8,-3.2 -8,-3.2 -2,-0.7 2,-0.1 -0.870 7.1-154.0-110.8 127.2 6.0 14.2 -10.1 105 411 A D E -A 95 0A 16 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.433 27.3-130.4 -80.5 162.3 5.5 17.1 -7.7 106 412 A R S S+ 0 0 129 -12,-1.2 4,-0.5 1,-0.2 -1,-0.1 0.882 113.6 68.8 -62.6 -50.4 3.2 17.3 -4.7 107 413 A N S S+ 0 0 100 -13,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.594 78.4 103.8 -39.9 -19.8 2.3 20.6 -6.5 108 414 A Q S S- 0 0 71 1,-0.1 2,-1.6 -3,-0.1 -4,-0.0 -0.683 93.9-106.1 -74.2 119.3 0.8 18.3 -9.2 109 415 A G - 0 0 77 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 -0.229 38.8-124.3 -49.4 78.3 -3.0 18.3 -8.8 110 416 A K + 0 0 33 -2,-1.6 -1,-0.2 -4,-0.5 6,-0.1 0.035 36.3 177.2 -32.3 79.2 -3.3 14.9 -7.3 111 417 A C + 0 0 40 -2,-0.4 2,-0.4 -79,-0.1 -1,-0.2 0.693 61.8 80.5 -65.6 -19.4 -5.8 13.3 -9.8 112 418 A V S > S- 0 0 7 -80,-0.1 3,-0.8 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0.677 105.8-131.3 -67.9 -20.8 21.3 12.1 6.3 133 439 A N T <<5 - 0 0 104 -3,-1.2 -3,-0.2 -4,-1.1 -2,-0.1 0.955 28.7-154.9 60.9 48.1 23.4 12.3 3.1 134 440 A L < - 0 0 2 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.1 -0.335 6.3-140.6 -52.6 132.1 22.6 8.6 2.4 135 441 A Q > - 0 0 84 -3,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.678 17.0-115.7 -97.5 155.0 25.3 7.1 0.2 136 442 A G H > S+ 0 0 20 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.853 116.0 54.5 -57.7 -38.7 24.7 4.6 -2.6 137 443 A E H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.851 109.8 47.5 -65.2 -37.7 26.6 1.9 -0.9 138 444 A E H > S+ 0 0 10 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.874 108.3 55.7 -66.7 -42.7 24.4 2.3 2.2 139 445 A F H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.928 105.5 50.5 -55.8 -47.7 21.2 2.3 0.0 140 446 A V H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.880 110.4 51.3 -67.9 -32.1 22.1 -1.1 -1.6 141 447 A C H X S+ 0 0 0 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.964 110.3 48.3 -63.2 -48.3 22.7 -2.5 1.9 142 448 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.884 109.5 51.7 -62.5 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H >< S+ 0 0 2 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.858 105.9 57.1 -71.5 -31.7 15.7 -2.4 15.5 446 509 B L H >X S+ 0 0 7 -4,-2.3 3,-1.1 1,-0.2 4,-1.0 0.823 97.6 63.0 -66.6 -30.8 14.6 -4.6 12.6 447 510 B I H 3X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.2 3,-0.3 0.861 91.5 66.7 -58.3 -33.8 12.0 -6.2 14.9 448 511 B L H S+ 0 0 3 -3,-1.1 4,-2.3 -4,-0.4 -1,-0.2 0.861 108.1 46.9 -68.9 -42.7 9.5 -3.0 11.3 450 513 B H H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 -2,-0.2 0.882 111.0 52.1 -65.8 -38.4 7.7 -6.2 12.2 451 514 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.901 109.2 49.5 -64.6 -40.7 5.9 -4.4 15.1 452 515 B R H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.948 110.2 52.3 -59.1 -49.7 4.9 -1.6 12.7 453 516 B H H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.936 110.6 46.2 -50.3 -52.7 3.6 -4.3 10.3 454 517 B M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.876 110.5 53.3 -60.0 -41.1 1.5 -6.0 13.1 455 518 B S H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.931 108.7 49.7 -61.8 -45.5 0.1 -2.7 14.2 456 519 B N H X S+ 0 0 6 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.913 113.7 44.9 -57.6 -45.4 -1.0 -1.8 10.7 457 520 B K H X S+ 0 0 61 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.888 113.4 52.9 -66.9 -36.0 -2.7 -5.2 10.3 458 521 B G H X S+ 0 0 8 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.888 106.9 50.6 -62.3 -44.6 -4.2 -4.6 13.8 459 522 B M H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.879 109.0 50.5 -65.2 -42.3 -5.6 -1.3 13.0 460 523 B E H X S+ 0 0 39 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.861 111.6 49.1 -63.4 -37.6 -7.4 -2.5 9.8 461 524 B H H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.937 111.0 49.4 -65.2 -45.8 -8.9 -5.4 11.8 462 525 B L H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.891 110.9 50.6 -61.4 -40.7 -10.1 -3.0 14.5 463 526 B Y H X S+ 0 0 63 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.947 109.7 49.5 -61.1 -47.5 -11.6 -0.7 11.9 464 527 B S H X S+ 0 0 42 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.885 111.4 49.9 -61.1 -37.1 -13.4 -3.7 10.3 465 528 B M H <>S+ 0 0 1 -4,-2.4 5,-2.2 2,-0.2 6,-0.5 0.897 112.0 47.8 -63.7 -43.3 -14.7 -4.7 13.7 466 529 B K H ><5S+ 0 0 57 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.943 112.2 50.4 -62.2 -42.8 -15.9 -1.1 14.3 467 530 B C H 3<5S+ 0 0 63 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.624 109.8 48.9 -77.3 -13.7 -17.5 -1.1 10.8 468 531 B K T 3<5S- 0 0 97 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.253 110.8-120.4 -98.9 10.3 -19.4 -4.4 11.4 469 532 B N T < 5 + 0 0 147 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.933 66.0 141.9 48.2 53.1 -20.7 -3.2 14.8 470 533 B V S - 0 0 37 -2,-0.4 4,-2.7 -188,-0.1 5,-0.2 -0.138 32.6-107.9 -55.7 160.2 -14.6 4.1 23.7 475 538 B D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.913 122.4 53.4 -63.3 -37.5 -14.5 7.7 22.6 476 539 B L H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.971 110.6 45.1 -60.0 -52.0 -10.7 7.6 23.2 477 540 B L H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 109.7 56.0 -61.6 -40.2 -10.3 4.4 21.0 478 541 B L H X S+ 0 0 53 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.908 111.0 44.6 -55.5 -45.4 -12.5 5.9 18.3 479 542 B E H X S+ 0 0 50 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.880 114.3 47.2 -67.3 -41.3 -10.3 8.9 18.1 480 543 B M H < S+ 0 0 1 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.866 115.8 46.5 -64.9 -40.2 -7.0 6.9 18.1 481 544 B L H >< S+ 0 0 0 -4,-2.8 3,-1.3 -5,-0.2 5,-0.5 0.901 108.4 56.0 -67.0 -39.3 -8.4 4.6 15.5 482 545 B D H >< S+ 0 0 90 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.781 94.9 66.8 -64.2 -34.5 -9.7 7.6 13.4 483 546 B A T 3< S+ 0 0 27 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.708 97.1 54.8 -56.4 -27.1 -6.1 9.1 13.3 484 547 B H T < S- 0 0 21 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.520 99.1-151.3 -87.5 -9.4 -5.1 6.1 11.1 485 548 B R < - 0 0 184 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.799 17.5-160.8 51.5 50.3 -8.0 7.2 8.9 486 549 B L 0 0 16 -5,-0.5 -1,-0.1 -27,-0.1 -26,-0.0 -0.176 360.0 360.0 -71.0 157.2 -8.8 3.7 7.6 487 550 B H 0 0 114 0, 0.0 -266,-0.1 0, 0.0 -1,-0.1 -0.431 360.0 360.0-160.2 360.0 -10.8 3.0 4.4 488 !* 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 0.0 489 687 C H 0 0 152 0, 0.0 4,-0.3 0, 0.0 -256,-0.0 0.000 360.0 360.0 360.0 9.1 0.9 -17.7 -6.6 490 688 C K > + 0 0 131 2,-0.1 4,-2.3 3,-0.1 5,-0.1 0.655 360.0 74.0-121.1 -26.3 2.9 -19.2 -9.5 491 689 C I H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.887 104.3 47.3 -57.7 -39.3 4.0 -16.4 -12.0 492 690 C L H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 108.7 53.2 -67.6 -46.4 6.7 -15.4 -9.5 493 691 C H H > S+ 0 0 66 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.918 110.3 49.7 -48.5 -47.2 7.7 -19.0 -8.9 494 692 C R H X S+ 0 0 127 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.859 108.9 50.1 -67.6 -38.4 8.2 -19.2 -12.7 495 693 C L H < S+ 0 0 26 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.837 107.7 55.7 -65.9 -33.9 10.3 -15.9 -12.9 496 694 C L H < S+ 0 0 11 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.847 112.1 40.6 -70.6 -36.5 12.5 -17.2 -10.1 497 695 C Q H < 0 0 129 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.745 360.0 360.0 -76.2 -26.6 13.3 -20.4 -12.0 498 696 C D < 0 0 125 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.0 0.415 360.0 360.0-103.0 360.0 13.6 -18.4 -15.2 499 !* 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 0.0 500 686 D K 0 0 154 0, 0.0 2,-0.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 162.7 -13.9 19.2 18.9 501 687 D H - 0 0 89 1,-0.0 5,-0.1 2,-0.0 0, 0.0 -0.780 360.0-120.2 -82.9 113.9 -11.2 19.0 21.5 502 688 D K > - 0 0 87 -2,-0.7 4,-1.2 1,-0.1 3,-0.1 -0.221 9.8-130.6 -59.8 143.0 -9.6 15.6 21.2 503 689 D I H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.859 106.3 55.6 -59.8 -37.1 -9.8 13.4 24.3 504 690 D L H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 102.1 55.0 -67.0 -39.2 -6.1 12.6 24.1 505 691 D H H 4 S+ 0 0 70 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.802 110.7 46.6 -63.1 -36.2 -5.1 16.2 24.1 506 692 D R H >X S+ 0 0 162 -4,-1.2 3,-1.0 -3,-0.2 4,-0.8 0.871 109.6 51.9 -73.2 -41.8 -7.0 16.7 27.3 507 693 D L H >< S+ 0 0 39 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.848 101.0 64.1 -65.6 -30.4 -5.6 13.5 29.0 508 694 D L T 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.760 100.8 52.1 -65.5 -20.6 -2.1 14.8 28.1 509 695 D Q T <4 0 0 113 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.730 360.0 360.0 -86.6 -23.4 -2.7 17.8 30.5 510 696 D D << 0 0 128 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.989 360.0 360.0 -76.9 360.0 -3.8 15.8 33.6