==== 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 29-JUN-07 2QGT . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.W.NETTLES,J.B.BRUNING,J.NOWAK,S.K.SHARMA,J.B.HAHM,Y.SHI,K. . 498 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 75.5 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 . 11 2.2 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 0 0 1 3 0 0 2 0 0 2 0 0 1 1 0 0 0 0 4 2 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 95 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.8 20.4 -21.3 25.3 2 306 A L >> + 0 0 134 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.709 360.0 65.0 -93.3 -24.7 23.2 -19.0 26.5 3 307 A A G >4 S+ 0 0 6 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.858 99.5 57.4 -57.8 -36.4 21.6 -15.7 25.4 4 308 A L G 34 S+ 0 0 52 1,-0.2 -1,-0.2 58,-0.0 -2,-0.2 0.676 101.4 55.8 -71.4 -20.2 18.8 -16.5 27.9 5 309 A S G <4 S+ 0 0 90 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.641 82.4 109.9 -89.0 -17.3 21.3 -16.7 30.8 6 310 A L << - 0 0 36 -3,-0.7 2,-0.1 -4,-0.6 -3,-0.0 -0.238 64.4-131.0 -61.1 143.8 22.9 -13.2 30.3 7 311 A T > - 0 0 71 1,-0.1 4,-2.3 168,-0.0 5,-0.1 -0.374 30.9-103.0 -79.8 172.2 22.2 -10.4 32.9 8 312 A A H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 123.5 49.9 -65.3 -44.4 21.1 -7.0 31.6 9 313 A D H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 112.1 48.6 -63.2 -34.0 24.6 -5.5 32.1 10 314 A Q H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.857 108.5 54.3 -73.3 -38.9 26.1 -8.4 30.2 11 315 A M H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.952 110.9 45.7 -53.6 -52.8 23.5 -7.9 27.4 12 316 A V H X S+ 0 0 11 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.917 112.5 50.7 -58.3 -46.0 24.6 -4.3 27.1 13 317 A S H X S+ 0 0 67 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.935 109.8 49.2 -59.8 -50.3 28.3 -5.1 27.2 14 318 A A H X S+ 0 0 34 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.919 115.2 45.3 -54.6 -45.6 27.9 -7.8 24.4 15 319 A L H X S+ 0 0 1 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.902 112.8 48.2 -69.7 -44.5 26.0 -5.3 22.2 16 320 A L H >< S+ 0 0 66 -4,-3.1 3,-1.0 1,-0.2 -1,-0.2 0.923 114.1 47.9 -59.3 -43.9 28.3 -2.3 22.8 17 321 A D H 3< S+ 0 0 115 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.790 106.3 57.8 -70.0 -28.3 31.3 -4.5 22.0 18 322 A A H 3< S+ 0 0 5 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.602 79.0 128.9 -72.0 -13.2 29.6 -5.9 18.9 19 323 A E << - 0 0 61 -3,-1.0 -3,-0.1 -4,-0.6 34,-0.0 -0.165 57.9-129.2 -52.5 126.9 29.3 -2.4 17.5 20 324 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.335 28.8 -97.9 -72.4 160.6 30.6 -2.1 13.9 21 325 A P - 0 0 72 0, 0.0 2,-0.7 0, 0.0 31,-0.1 -0.341 33.0-106.5 -76.0 158.9 33.1 0.6 13.0 22 326 A I - 0 0 101 -2,-0.1 2,-0.2 68,-0.0 79,-0.1 -0.804 44.2-151.5 -86.0 114.8 32.2 3.9 11.4 23 327 A L - 0 0 26 -2,-0.7 2,-0.3 77,-0.2 22,-0.0 -0.478 6.4-121.7 -91.4 156.0 33.4 3.6 7.8 24 328 A Y - 0 0 140 -2,-0.2 2,-0.1 77,-0.2 -1,-0.1 -0.662 21.5-130.2 -91.9 148.3 34.5 6.2 5.3 25 329 A S - 0 0 9 -2,-0.3 17,-0.1 1,-0.1 16,-0.1 -0.453 24.2-113.1 -84.3 169.0 32.9 6.9 1.9 26 330 A E + 0 0 127 15,-0.3 -1,-0.1 -2,-0.1 15,-0.1 0.034 57.8 160.8 -88.3 27.7 34.9 7.1 -1.3 27 331 A Y - 0 0 80 14,-0.1 11,-0.0 1,-0.1 -2,-0.0 -0.278 24.9-161.6 -56.1 124.5 33.9 10.8 -1.6 28 332 A D > - 0 0 83 3,-0.1 3,-1.4 1,-0.1 -1,-0.1 -0.928 8.6-167.2-112.0 106.2 36.2 12.7 -4.0 29 333 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.448 79.5 78.0 -71.7 0.4 36.0 16.5 -3.4 30 334 A T T 3 S+ 0 0 95 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.684 96.2 48.4 -84.2 -16.3 37.9 17.1 -6.7 31 335 A R S < S- 0 0 165 -3,-1.4 -3,-0.1 1,-0.0 2,-0.1 -0.926 86.4-113.3-126.4 148.2 34.7 16.4 -8.7 32 336 A P - 0 0 112 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.352 40.0 -97.6 -75.5 158.3 31.1 17.7 -8.4 33 337 A F - 0 0 51 4,-0.1 2,-0.3 -2,-0.1 3,-0.1 -0.426 36.9-177.2 -69.7 144.7 28.2 15.4 -7.5 34 338 A S > - 0 0 58 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.875 42.4-106.9-124.8 170.9 25.9 13.9 -10.0 35 339 A E H > S+ 0 0 63 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.938 123.2 46.5 -55.8 -48.6 22.8 11.7 -9.4 36 340 A A H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 114.4 46.2 -60.9 -42.9 24.8 8.7 -10.6 37 341 A S H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.835 112.1 48.7 -77.6 -32.8 27.9 9.5 -8.5 38 342 A M H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.942 113.0 48.3 -69.3 -47.4 26.0 10.3 -5.2 39 343 A M H X S+ 0 0 6 -4,-2.2 4,-1.8 -5,-0.3 5,-0.2 0.851 111.1 53.1 -57.9 -34.7 24.1 7.0 -5.6 40 344 A G H X S+ 0 0 25 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.953 109.9 47.2 -63.3 -49.4 27.5 5.3 -6.3 41 345 A L H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 -15,-0.3 0.907 113.8 45.8 -55.4 -48.1 28.9 6.8 -3.1 42 346 A L H X S+ 0 0 22 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.867 117.1 43.4 -69.8 -39.1 26.0 5.8 -0.9 43 347 A T H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.853 111.2 53.3 -77.0 -39.2 25.7 2.3 -2.2 44 348 A N H X S+ 0 0 51 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.918 112.6 47.0 -57.1 -43.9 29.4 1.6 -2.2 45 349 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.953 111.5 49.5 -59.5 -50.9 29.4 2.7 1.5 46 350 A A H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.855 107.2 55.6 -60.0 -37.5 26.4 0.5 2.3 47 351 A D H X S+ 0 0 40 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.932 111.0 43.4 -64.6 -46.1 28.0 -2.5 0.6 48 352 A R H X S+ 0 0 72 -4,-1.8 4,-1.2 1,-0.2 3,-0.5 0.929 112.8 53.0 -64.1 -42.3 31.1 -2.2 2.9 49 353 A E H X S+ 0 0 33 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.862 100.5 63.7 -56.2 -37.2 28.8 -1.6 5.9 50 354 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.868 98.0 53.7 -59.7 -39.9 26.9 -4.8 5.1 51 355 A V H X S+ 0 0 61 -4,-1.1 4,-1.5 -3,-0.5 -1,-0.2 0.924 111.0 45.5 -59.6 -46.7 30.0 -6.9 5.6 52 356 A H H X S+ 0 0 75 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.827 109.9 57.1 -66.4 -31.1 30.5 -5.4 9.1 53 357 A M H X S+ 0 0 9 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.887 102.4 52.7 -66.3 -41.8 26.7 -5.9 9.7 54 358 A I H X S+ 0 0 5 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.908 112.9 45.9 -60.4 -41.1 26.8 -9.7 9.1 55 359 A N H < S+ 0 0 53 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.872 112.7 49.6 -71.0 -37.8 29.6 -9.9 11.6 56 360 A W H >< S+ 0 0 6 -4,-2.2 3,-2.0 2,-0.2 4,-0.5 0.934 106.8 55.6 -57.1 -52.8 27.8 -7.7 14.1 57 361 A A H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.3 6,-0.2 0.852 101.9 57.5 -53.0 -39.5 24.6 -9.8 13.7 58 362 A K T 3< S+ 0 0 43 -4,-1.4 6,-0.3 1,-0.2 -1,-0.3 0.692 105.2 52.1 -64.3 -20.8 26.5 -12.9 14.7 59 363 A R T < S+ 0 0 136 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.459 82.3 106.5 -94.9 -4.7 27.5 -11.2 17.9 60 364 A V S X> S- 0 0 2 -3,-1.2 3,-2.2 -4,-0.5 4,-0.5 -0.670 88.3-101.9 -77.6 117.2 23.9 -10.4 18.8 61 365 A P T 34 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.130 103.4 10.5 -43.9 124.9 22.9 -12.8 21.7 62 366 A G T >4 S+ 0 0 4 -4,-0.1 3,-0.7 -3,-0.0 4,-0.5 -0.010 100.0 98.6 96.0 -28.5 20.7 -15.6 20.3 63 367 A F G X4 S+ 0 0 0 -3,-2.2 3,-1.6 1,-0.2 -5,-0.1 0.886 79.2 55.1 -62.2 -42.0 21.3 -14.9 16.6 64 368 A V G 3< S+ 0 0 97 -4,-0.5 -1,-0.2 -6,-0.3 7,-0.1 0.772 97.8 66.6 -61.8 -25.9 24.0 -17.6 16.2 65 369 A D G < S+ 0 0 77 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.2 0.697 86.8 89.8 -68.7 -19.7 21.5 -20.1 17.6 66 370 A L S < S- 0 0 7 -3,-1.6 -4,-0.0 -4,-0.5 5,-0.0 -0.417 87.8-100.1 -79.1 155.6 19.3 -19.8 14.5 67 371 A T > - 0 0 63 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.265 34.6-108.5 -62.5 158.5 19.7 -21.8 11.4 68 372 A L H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 122.2 52.8 -55.2 -44.0 21.5 -20.3 8.4 69 373 A H H > S+ 0 0 147 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 109.5 49.0 -59.5 -38.8 18.2 -20.0 6.6 70 374 A D H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 111.7 48.3 -68.1 -43.1 16.7 -18.1 9.6 71 375 A Q H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.887 110.2 52.1 -63.4 -44.0 19.7 -15.8 9.8 72 376 A V H X S+ 0 0 18 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.965 111.0 48.0 -55.5 -52.8 19.5 -15.1 6.0 73 377 A H H X S+ 0 0 46 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.887 111.5 47.8 -57.7 -47.3 15.8 -14.2 6.3 74 378 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.929 117.0 42.6 -61.3 -45.0 16.1 -11.9 9.2 75 379 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.907 112.5 53.3 -70.4 -41.1 19.1 -10.0 7.7 76 380 A E H < S+ 0 0 50 -4,-3.0 -1,-0.2 -5,-0.3 4,-0.2 0.842 114.3 44.6 -60.0 -35.7 17.4 -9.9 4.3 77 381 A C H < S+ 0 0 12 -4,-2.0 -2,-0.2 -5,-0.2 4,-0.2 0.921 124.9 27.8 -72.8 -44.8 14.4 -8.4 5.9 78 382 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 71,-0.2 5,-0.2 0.464 83.6 105.1-102.6 -6.6 16.0 -5.8 8.2 79 383 A W H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.851 86.9 42.8 -50.2 -47.1 19.4 -4.7 6.5 80 384 A L H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 113.1 53.9 -71.5 -35.5 18.2 -1.3 5.3 81 385 A E H > S+ 0 0 1 -3,-0.2 4,-2.8 -4,-0.2 -2,-0.2 0.906 110.3 47.8 -57.0 -44.3 16.4 -0.6 8.6 82 386 A I H X S+ 0 0 8 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.893 112.2 48.1 -67.9 -39.3 19.7 -1.4 10.4 83 387 A L H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.920 114.5 48.4 -64.6 -43.0 21.7 0.9 8.0 84 388 A M H X S+ 0 0 14 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.904 107.7 50.9 -64.6 -46.1 19.1 3.6 8.5 85 389 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.911 111.2 50.9 -63.5 -37.6 19.0 3.5 12.3 86 390 A G H X S+ 0 0 8 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.899 110.2 49.9 -58.3 -42.8 22.8 3.7 12.4 87 391 A L H X S+ 0 0 6 -4,-1.8 4,-1.7 2,-0.2 12,-0.4 0.937 111.0 47.5 -64.0 -49.3 22.7 6.8 10.1 88 392 A V H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.915 114.2 48.4 -58.7 -44.0 20.0 8.5 12.2 89 393 A W H >< S+ 0 0 75 -4,-2.6 3,-1.0 -5,-0.2 4,-0.3 0.929 111.9 48.3 -59.8 -46.9 22.2 7.7 15.3 90 394 A R H 3< S+ 0 0 30 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.765 111.8 51.5 -63.7 -28.9 25.4 9.0 13.6 91 395 A S H >< S+ 0 0 0 -4,-1.7 3,-2.4 -5,-0.2 6,-0.3 0.546 79.3 100.4 -89.4 -8.6 23.5 12.2 12.6 92 396 A M T << S+ 0 0 21 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 0.818 84.7 44.5 -45.1 -46.6 22.2 13.0 16.0 93 397 A E T 3 S+ 0 0 164 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.141 104.2 70.3 -90.8 20.8 24.8 15.7 16.8 94 398 A H S X S- 0 0 61 -3,-2.4 3,-2.2 3,-0.2 -1,-0.2 -0.573 75.4-157.2-136.0 72.6 24.5 17.3 13.3 95 399 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.210 80.2 14.1 -53.1 133.0 21.1 19.0 13.1 96 400 A G T 3 S+ 0 0 43 1,-0.2 12,-0.5 29,-0.2 2,-0.3 0.495 115.8 88.1 76.2 5.9 19.9 19.4 9.5 97 401 A K < - 0 0 83 -3,-2.2 2,-0.6 -6,-0.3 10,-0.2 -0.963 65.7-140.1-137.0 153.1 22.5 16.9 8.2 98 402 A L E -A 106 0A 0 8,-2.8 8,-2.5 -2,-0.3 2,-1.5 -0.964 14.6-151.7-111.5 113.2 22.9 13.2 7.6 99 403 A L E +A 105 0A 21 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.641 27.1 163.7 -88.4 82.4 26.3 11.9 8.5 100 404 A F E S- 0 0 26 4,-1.5 -1,-0.2 -2,-1.5 5,-0.2 0.914 77.8 -14.2 -61.1 -41.4 26.6 8.9 6.1 101 405 A A E > S-A 104 0A 0 3,-1.7 3,-2.0 -3,-0.2 -1,-0.3 -0.932 77.2 -98.6-152.3 163.3 30.3 8.9 6.8 102 406 A P T 3 S+ 0 0 62 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.765 129.8 42.2 -59.5 -28.3 32.7 11.4 8.5 103 407 A N T 3 S+ 0 0 52 1,-0.2 2,-0.2 -4,-0.0 -79,-0.1 0.161 113.2 59.3 -98.6 15.5 33.7 12.5 4.9 104 408 A L E < +A 101 0A 4 -3,-2.0 -3,-1.7 2,-0.0 -4,-1.5 -0.680 57.2 154.8-148.3 85.7 30.1 12.4 3.7 105 409 A L E -A 99 0A 59 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.958 23.6-171.7-116.9 106.6 27.8 14.8 5.7 106 410 A L E -A 98 0A 1 -8,-2.5 -8,-2.8 -2,-0.6 2,-0.2 -0.865 15.1-154.6-113.6 136.2 24.8 15.7 3.5 107 411 A D >> - 0 0 50 -2,-0.4 4,-1.6 -10,-0.2 3,-0.7 -0.514 41.7 -96.9 -92.1 172.5 22.0 18.3 3.9 108 412 A R H 3> S+ 0 0 96 -12,-0.5 4,-1.1 1,-0.2 14,-0.1 0.810 123.3 59.6 -61.1 -31.5 18.6 18.0 2.2 109 413 A N H 34 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.853 105.5 47.6 -67.8 -35.8 19.7 20.3 -0.6 110 414 A Q H X4 S+ 0 0 59 -3,-0.7 3,-1.7 1,-0.2 4,-0.3 0.828 104.8 62.7 -69.0 -32.2 22.5 17.9 -1.5 111 415 A G H >< S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.3 7,-0.3 0.802 88.1 71.0 -58.0 -31.3 19.8 15.1 -1.3 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2,-0.2 -1,-0.2 0.928 109.5 54.5 -57.4 -46.5 24.8 -13.5 2.2 484 691 C H H 4 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.881 110.6 46.0 -53.3 -42.8 24.5 -17.2 3.0 485 692 C R H >X S+ 0 0 161 -4,-1.9 4,-1.7 1,-0.2 3,-1.3 0.918 110.7 51.8 -67.0 -47.9 28.3 -17.6 2.4 486 693 C L H 3X S+ 0 0 41 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.810 101.4 61.8 -60.2 -33.3 29.3 -14.5 4.4 487 694 C L H 3< S+ 0 0 9 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.694 110.1 41.1 -68.7 -18.4 27.3 -15.7 7.4 488 695 C Q H <4 S+ 0 0 107 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.766 113.4 53.0 -95.4 -31.7 29.6 -18.8 7.5 489 696 C D H < 0 0 89 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.983 360.0 360.0 -68.3 -64.1 32.9 -17.0 6.8 490 697 C S < 0 0 105 -4,-1.4 -1,-0.2 -439,-0.1 -435,-0.1 -0.414 360.0 360.0 52.9 360.0 33.2 -14.1 9.3 491 !* 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 0.0 492 687 D H 0 0 238 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 39.6 -11.2 20.4 -2.2 493 688 D K > - 0 0 84 1,-0.1 4,-1.6 -20,-0.0 5,-0.1 -0.507 360.0-134.8 -65.2 135.3 -9.9 17.1 -0.8 494 689 D I H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 105.7 58.2 -56.2 -42.2 -12.7 14.7 0.2 495 690 D L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.925 102.6 53.0 -56.5 -50.4 -10.8 14.0 3.5 496 691 D H H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 113.4 43.3 -46.2 -54.6 -10.9 17.7 4.4 497 692 D R H X S+ 0 0 131 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.835 111.9 52.5 -66.9 -36.9 -14.7 17.8 3.9 498 693 D L H < S+ 0 0 26 -4,-2.6 4,-0.2 2,-0.2 -1,-0.2 0.903 108.9 51.7 -65.4 -39.6 -15.3 14.5 5.7 499 694 D L H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.915 111.6 45.0 -65.2 -43.8 -13.4 15.8 8.7 500 695 D Q H 3< S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 118.0 45.0 -68.6 -30.2 -15.4 19.0 8.9 501 696 D D T 3< S+ 0 0 104 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.265 84.6 141.6 -95.2 11.1 -18.7 17.0 8.4 502 697 D S < 0 0 39 -3,-0.9 -3,-0.1 -4,-0.2 -211,-0.1 -0.168 360.0 360.0 -64.2 146.8 -17.9 14.2 10.9 503 698 D S 0 0 127 -212,-0.0 -1,-0.1 0, 0.0 -212,-0.0 0.457 360.0 360.0-118.7 360.0 -20.6 12.7 13.1