==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEAR RECEPTOR 31-MAR-99 3ERD . COMPND 2 MOLECULE: PROTEIN (ESTROGEN RECEPTOR ALPHA); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.SHIAU,D.BARSTAD,P.M.LORIA,L.CHENG,P.J.KUSHNER,D.A.AGARD, . 504 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 74.8 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 . 1 0.2 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 . 295 58.5 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 2 1 1 0 2 0 0 2 0 0 0 2 0 0 0 1 3 1 0 0 0 1 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 0 149 0, 0.0 61,-0.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 53.0 36.1 -14.7 0.1 2 306 A L - 0 0 63 1,-0.1 4,-0.2 59,-0.1 0, 0.0 -0.284 360.0-159.0 -65.8 149.5 35.3 -13.9 3.7 3 307 A A S > S+ 0 0 4 2,-0.2 3,-0.5 1,-0.1 -1,-0.1 0.653 87.6 68.6-100.8 -23.2 33.4 -10.8 4.5 4 308 A L T 3 S+ 0 0 64 1,-0.2 -1,-0.1 58,-0.0 -2,-0.1 0.596 98.5 55.6 -71.8 -9.2 34.5 -10.6 8.2 5 309 A S T 3 S+ 0 0 86 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.706 80.8 109.3 -94.0 -25.6 37.9 -9.8 6.8 6 310 A L < - 0 0 36 -3,-0.5 2,-0.1 -4,-0.2 -3,-0.0 -0.190 65.3-132.3 -53.5 140.6 36.9 -6.8 4.7 7 311 A T > - 0 0 73 1,-0.1 4,-2.6 174,-0.0 5,-0.2 -0.398 29.7 -99.0 -86.4 172.3 38.0 -3.4 6.0 8 312 A A H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.937 125.1 45.5 -58.5 -49.8 35.6 -0.4 6.2 9 313 A D H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 112.9 51.3 -62.5 -39.4 36.8 1.1 3.0 10 314 A Q H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 108.0 52.9 -64.0 -41.0 36.7 -2.3 1.2 11 315 A M H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.943 110.3 46.0 -59.6 -50.1 33.1 -2.8 2.5 12 316 A V H X S+ 0 0 12 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.941 112.2 53.0 -58.0 -47.1 31.9 0.5 1.1 13 317 A S H X S+ 0 0 78 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.912 109.0 48.0 -53.3 -49.6 33.7 -0.3 -2.2 14 318 A A H X S+ 0 0 29 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.924 114.3 46.7 -59.5 -46.8 32.0 -3.7 -2.6 15 319 A L H >X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 3,-0.5 0.952 112.4 48.4 -62.4 -50.9 28.6 -2.2 -1.9 16 320 A L H >< S+ 0 0 75 -4,-3.2 3,-1.1 1,-0.2 -1,-0.2 0.921 112.7 49.3 -55.9 -45.3 29.0 0.8 -4.2 17 321 A D H 3< S+ 0 0 105 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.762 108.4 54.3 -66.6 -24.7 30.2 -1.6 -7.0 18 322 A A H << S+ 0 0 6 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.559 78.5 130.2 -85.9 -8.1 27.3 -3.9 -6.4 19 323 A E << - 0 0 64 -3,-1.1 -3,-0.0 -4,-0.8 123,-0.0 -0.125 57.3-127.2 -48.6 135.9 24.7 -1.1 -6.8 20 324 A P - 0 0 38 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.391 29.8 -97.7 -81.3 164.8 21.9 -2.0 -9.3 21 325 A P - 0 0 77 0, 0.0 2,-0.7 0, 0.0 31,-0.1 -0.406 33.1-106.4 -81.9 164.3 21.1 0.2 -12.2 22 326 A I - 0 0 97 -2,-0.1 2,-0.1 68,-0.0 79,-0.1 -0.800 42.8-144.3 -88.0 116.3 18.3 2.8 -12.2 23 327 A L - 0 0 27 -2,-0.7 2,-0.3 77,-0.2 22,-0.0 -0.451 4.0-124.9 -85.9 156.2 15.6 1.3 -14.5 24 328 A Y - 0 0 137 77,-0.2 2,-0.1 -2,-0.1 3,-0.1 -0.678 16.5-134.0 -97.8 152.3 13.3 3.1 -16.8 25 329 A S - 0 0 6 -2,-0.3 2,-0.1 1,-0.2 17,-0.1 -0.426 53.4 -59.9 -93.2 174.0 9.5 2.9 -16.8 26 330 A E - 0 0 49 -2,-0.1 -1,-0.2 15,-0.1 19,-0.0 -0.369 68.0-116.6 -56.7 127.7 7.4 2.4 -20.0 27 331 A Y S S+ 0 0 202 1,-0.2 -1,-0.1 -3,-0.1 77,-0.0 -0.267 84.0 3.7 -69.6 155.1 8.3 5.4 -22.2 28 332 A D S S- 0 0 97 1,-0.1 -1,-0.2 75,-0.1 3,-0.1 0.843 84.8-168.6 36.6 56.1 5.7 8.0 -23.2 29 333 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.315 30.0 -91.0 -69.8 157.2 2.9 6.5 -21.1 30 334 A T - 0 0 116 2,-0.0 -2,-0.0 7,-0.0 7,-0.0 -0.556 54.3-114.3 -75.2 122.9 -0.7 7.7 -21.6 31 335 A R S S+ 0 0 76 -2,-0.4 2,-0.2 2,-0.1 3,-0.0 -0.828 88.4 38.7-111.4 148.4 -1.7 10.5 -19.4 32 336 A P S S- 0 0 120 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.629 91.6-128.5 -75.8 165.8 -3.6 11.0 -17.2 33 337 A F - 0 0 31 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.346 14.1-145.6 -76.7 158.6 -3.1 7.6 -15.6 34 338 A S > - 0 0 64 1,-0.1 4,-3.4 -2,-0.1 5,-0.4 -0.716 31.0-103.3-114.8 168.2 -5.8 5.3 -14.6 35 339 A E H > S+ 0 0 63 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.983 126.8 39.6 -57.2 -59.8 -5.8 3.0 -11.6 36 340 A A H > S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.764 117.0 57.4 -59.8 -22.9 -5.1 -0.2 -13.6 37 341 A S H > S+ 0 0 40 2,-0.2 4,-1.9 3,-0.1 -2,-0.2 0.945 110.1 37.1 -72.9 -54.9 -2.7 2.1 -15.5 38 342 A M H X S+ 0 0 3 -4,-3.4 4,-2.9 1,-0.2 5,-0.2 0.900 115.7 56.4 -65.9 -40.1 -0.5 3.4 -12.7 39 343 A M H X S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.4 5,-0.3 0.877 107.3 49.4 -58.5 -39.7 -0.6 -0.0 -11.1 40 344 A G H X S+ 0 0 13 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.913 112.3 46.1 -67.7 -44.4 0.7 -1.6 -14.2 41 345 A L H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.952 115.8 45.9 -62.4 -51.1 3.6 0.8 -14.6 42 346 A L H X S+ 0 0 23 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.910 116.9 41.8 -60.1 -48.1 4.6 0.6 -10.9 43 347 A T H X S+ 0 0 9 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.839 112.3 55.6 -70.8 -32.7 4.4 -3.2 -10.7 44 348 A N H X S+ 0 0 47 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.942 111.2 44.0 -63.6 -47.2 6.1 -3.6 -14.1 45 349 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 114.5 50.2 -63.2 -43.8 9.0 -1.5 -12.9 46 350 A A H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.940 107.0 53.6 -60.5 -48.1 9.1 -3.4 -9.6 47 351 A D H X S+ 0 0 31 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.872 112.5 44.4 -55.6 -39.4 9.1 -6.8 -11.3 48 352 A R H X S+ 0 0 83 -4,-1.7 4,-1.1 1,-0.2 3,-0.3 0.862 111.3 53.2 -74.7 -34.7 12.1 -5.8 -13.4 49 353 A E H X S+ 0 0 30 -4,-2.4 4,-2.6 1,-0.2 3,-0.2 0.885 100.7 62.4 -65.4 -38.1 13.9 -4.2 -10.4 50 354 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.854 98.1 55.9 -56.0 -37.9 13.4 -7.5 -8.4 51 355 A V H X S+ 0 0 59 -4,-0.9 4,-1.4 -3,-0.3 -1,-0.2 0.927 112.0 42.6 -61.9 -43.4 15.6 -9.3 -10.9 52 356 A H H X S+ 0 0 75 -4,-1.1 4,-1.6 -3,-0.2 -2,-0.2 0.845 110.8 57.0 -71.2 -33.9 18.4 -6.9 -10.4 53 357 A M H X S+ 0 0 7 -4,-2.6 4,-2.8 2,-0.2 3,-0.2 0.937 104.1 51.9 -62.8 -46.3 17.8 -6.9 -6.6 54 358 A I H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.924 112.8 45.1 -56.4 -45.7 18.3 -10.7 -6.4 55 359 A N H < S+ 0 0 79 -4,-1.4 4,-0.3 1,-0.2 -1,-0.3 0.748 111.7 53.0 -72.5 -22.2 21.6 -10.4 -8.3 56 360 A W H >< S+ 0 0 7 -4,-1.6 3,-1.7 -3,-0.2 4,-0.3 0.893 102.3 58.9 -76.6 -40.8 22.6 -7.4 -6.1 57 361 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 6,-0.2 0.864 97.2 60.2 -55.0 -39.1 22.0 -9.5 -2.9 58 362 A K T 3< S+ 0 0 51 -4,-1.2 6,-0.3 1,-0.3 -1,-0.3 0.729 103.4 54.0 -62.0 -20.7 24.5 -12.1 -4.1 59 363 A R T < S+ 0 0 122 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.486 80.9 105.9 -92.9 -5.0 27.0 -9.2 -4.0 60 364 A V S X S- 0 0 3 -3,-1.8 3,-2.7 -4,-0.3 4,-0.5 -0.673 88.3-101.1 -78.5 118.3 26.3 -8.2 -0.4 61 365 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.061 104.1 7.6 -41.3 126.1 29.2 -9.4 1.7 62 366 A G T >> S+ 0 0 7 -61,-0.3 4,-1.0 -4,-0.1 3,-0.7 0.144 98.3 105.3 87.2 -20.6 28.3 -12.6 3.5 63 367 A F G X4 S+ 0 0 0 -3,-2.7 3,-0.6 1,-0.2 -5,-0.1 0.892 78.4 52.1 -60.4 -41.3 25.0 -13.1 1.8 64 368 A V G 34 S+ 0 0 83 -4,-0.5 -1,-0.2 -6,-0.3 7,-0.1 0.719 99.4 66.1 -68.1 -21.4 26.3 -16.0 -0.4 65 369 A D G <4 S+ 0 0 72 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.879 87.0 85.8 -67.2 -37.9 27.6 -17.8 2.7 66 370 A L S << S- 0 0 6 -4,-1.0 5,-0.0 -3,-0.6 -4,-0.0 -0.149 92.4 -94.0 -62.0 158.9 24.0 -18.3 3.9 67 371 A T > - 0 0 67 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.310 32.7-111.6 -71.5 158.1 22.0 -21.3 2.8 68 372 A L H > S+ 0 0 47 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.921 120.4 52.5 -55.6 -47.1 19.6 -21.0 -0.2 69 373 A H H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 112.3 46.6 -57.5 -37.3 16.6 -21.3 2.1 70 374 A D H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.842 111.4 50.1 -74.2 -35.2 18.0 -18.5 4.2 71 375 A Q H X S+ 0 0 18 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.926 111.2 50.5 -67.0 -44.6 18.8 -16.3 1.2 72 376 A V H X S+ 0 0 8 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.922 110.9 48.3 -58.4 -47.8 15.2 -16.9 -0.0 73 377 A H H X S+ 0 0 45 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.917 109.5 51.3 -61.4 -46.6 13.7 -15.9 3.3 74 378 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.934 114.5 42.8 -58.2 -48.3 15.8 -12.7 3.7 75 379 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.887 111.6 53.9 -66.7 -39.7 14.8 -11.4 0.3 76 380 A E H < S+ 0 0 31 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.849 114.3 42.8 -63.4 -33.8 11.1 -12.5 0.6 77 381 A C H < S+ 0 0 15 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.833 124.7 32.9 -80.6 -33.5 10.9 -10.5 3.8 78 382 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 3,-0.3 0.524 83.0 101.1-104.9 -7.2 12.8 -7.4 2.7 79 383 A W H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.863 88.5 42.6 -49.5 -46.9 12.2 -6.9 -1.0 80 384 A L H > S+ 0 0 21 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.867 113.4 54.3 -70.8 -31.8 9.6 -4.1 -0.7 81 385 A E H > S+ 0 0 0 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.906 111.0 45.8 -63.5 -42.6 11.7 -2.4 2.0 82 386 A I H X S+ 0 0 8 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.854 111.8 50.5 -70.1 -36.4 14.7 -2.5 -0.4 83 387 A L H X S+ 0 0 17 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.917 112.9 48.2 -66.9 -41.4 12.6 -1.2 -3.3 84 388 A M H X S+ 0 0 16 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.887 109.4 48.9 -69.0 -41.1 11.3 1.7 -1.1 85 389 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.886 112.6 50.0 -68.0 -34.1 14.6 2.8 0.3 86 390 A G H X S+ 0 0 9 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.923 112.2 48.2 -66.0 -41.6 16.0 2.9 -3.2 87 391 A L H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 12,-0.4 0.953 111.9 47.7 -61.6 -51.8 13.0 4.9 -4.3 88 392 A V H < S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.887 111.1 53.4 -57.3 -39.9 13.3 7.4 -1.5 89 393 A W H >< S+ 0 0 69 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.880 108.4 47.9 -63.6 -41.3 17.0 7.7 -2.2 90 394 A R H 3< S+ 0 0 30 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.785 110.7 53.3 -70.2 -28.1 16.4 8.5 -5.9 91 395 A S T >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 6,-0.3 0.478 79.5 100.5 -86.1 -4.0 13.8 11.1 -4.9 92 396 A M T < S+ 0 0 36 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.895 84.1 42.9 -46.4 -57.4 16.1 13.0 -2.5 93 397 A E T 3 S+ 0 0 155 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.178 104.9 73.7 -80.3 18.6 17.0 15.8 -4.8 94 398 A H S X S- 0 0 49 -3,-2.1 3,-2.1 3,-0.2 -1,-0.2 -0.583 73.9-157.3-132.5 72.4 13.3 16.1 -6.0 95 399 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.199 78.2 15.0 -51.7 132.4 11.3 17.7 -3.2 96 400 A G T 3 S+ 0 0 43 1,-0.2 12,-0.8 29,-0.1 2,-0.3 0.178 114.7 79.9 90.1 -18.5 7.6 16.9 -3.5 97 401 A K E < -A 107 0A 78 -3,-2.1 2,-0.6 -6,-0.3 10,-0.3 -0.866 68.0-132.9-127.0 160.2 8.0 14.0 -6.0 98 402 A L E -A 106 0A 0 8,-3.9 8,-2.4 -2,-0.3 2,-1.5 -0.938 16.6-147.6-108.9 120.4 8.9 10.3 -6.1 99 403 A L E +A 105 0A 20 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.633 29.7 162.9 -89.4 81.1 11.4 9.4 -8.7 100 404 A F E S- 0 0 22 -2,-1.5 -1,-0.2 4,-1.5 -77,-0.2 0.892 77.9 -12.4 -63.3 -37.5 10.2 5.9 -9.6 101 405 A A E > S-A 104 0A 0 3,-1.3 3,-2.6 -3,-0.2 -1,-0.3 -0.964 77.5 -99.5-156.0 158.5 12.3 6.2 -12.8 102 406 A P T 3 S+ 0 0 59 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.848 129.5 40.2 -53.6 -31.0 14.0 9.1 -14.6 103 407 A N T 3 S+ 0 0 53 1,-0.2 2,-0.2 -4,-0.1 -79,-0.1 0.169 111.5 62.2-103.4 18.0 10.9 9.1 -16.9 104 408 A L E < +A 101 0A 7 -3,-2.6 -4,-1.5 2,-0.0 -3,-1.3 -0.618 58.6 158.1-143.2 78.7 8.4 8.5 -14.1 105 409 A L E -A 99 0A 60 -6,-0.2 2,-0.3 -3,-0.2 -6,-0.2 -0.919 19.1-178.4-105.7 111.4 8.6 11.4 -11.6 106 410 A L E -A 98 0A 2 -8,-2.4 -8,-3.9 -2,-0.7 2,-0.2 -0.836 16.1-153.1-116.4 151.1 5.3 11.6 -9.6 107 411 A D E >> -A 97 0A 47 -2,-0.3 3,-1.3 -10,-0.3 4,-1.0 -0.663 42.9 -90.6-111.7 171.1 3.9 13.8 -6.9 108 412 A R H >> S+ 0 0 95 -12,-0.8 3,-0.5 1,-0.3 4,-0.5 0.804 122.6 62.6 -50.8 -34.2 1.4 13.1 -4.2 109 413 A N H >4 S+ 0 0 95 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.872 100.4 51.7 -61.8 -37.8 -1.5 14.2 -6.4 110 414 A Q H X4 S+ 0 0 55 -3,-1.3 3,-1.3 1,-0.2 -1,-0.3 0.752 97.7 69.0 -70.5 -21.9 -0.7 11.5 -8.9 111 415 A G H X< S+ 0 0 0 -4,-1.0 3,-1.1 -3,-0.5 7,-0.4 0.727 86.1 68.0 -68.5 -19.7 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364 B V S X S- 0 0 2 -3,-1.8 3,-2.5 -4,-0.3 4,-0.4 -0.744 87.4-102.3 -83.6 118.6 8.4 10.8 29.2 307 365 B P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.135 104.3 13.0 -43.9 116.4 10.7 13.9 29.1 308 366 B G T 3 S+ 0 0 5 -4,-0.2 3,-0.5 4,-0.0 4,-0.4 0.064 97.0 102.0 104.6 -24.8 9.6 16.2 26.3 309 367 B F S X S+ 0 0 0 -3,-2.5 3,-1.5 1,-0.2 -5,-0.1 0.903 80.5 48.6 -61.4 -46.9 6.2 14.6 25.5 310 368 B V T 3 S+ 0 0 80 -4,-0.4 -1,-0.2 -6,-0.4 7,-0.1 0.708 97.0 73.4 -68.7 -16.5 4.0 17.1 27.3 311 369 B D T 3 S+ 0 0 82 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.722 86.3 83.9 -67.6 -18.6 6.0 19.9 25.5 312 370 B L S < S- 0 0 10 -3,-1.5 -4,-0.0 -4,-0.4 -3,-0.0 -0.436 93.4 -98.8 -82.2 157.5 4.1 18.8 22.4 313 371 B T > - 0 0 83 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.291 36.8-106.8 -69.2 163.2 0.6 20.0 21.5 314 372 B L H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 121.4 55.1 -57.5 -41.6 -2.3 17.7 22.3 315 373 B H H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 109.1 46.2 -58.9 -45.5 -2.7 16.9 18.6 316 374 B D H > 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28.6 427 492 B K H 3<5S+ 0 0 129 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 104.9 58.2 -54.9 -33.7 29.3 3.3 32.3 428 493 B A T 3<5S- 0 0 79 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.528 123.2-104.0 -76.5 -5.7 28.9 -0.5 32.0 429 494 B G T < 5 + 0 0 62 -3,-2.4 2,-0.2 -4,-0.3 -3,-0.2 0.597 66.6 150.0 97.4 10.9 32.4 -0.9 30.7 430 495 B L < - 0 0 46 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.0 -0.523 47.5-114.4 -77.9 143.8 31.8 -1.5 26.9 431 496 B T > - 0 0 73 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.236 33.4-100.4 -69.1 167.2 34.6 -0.3 24.5 432 497 B L H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.887 126.3 47.2 -55.9 -40.7 33.8 2.6 22.1 433 498 B Q H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 109.6 51.4 -70.3 -38.1 33.3 -0.0 19.3 434 499 B Q H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.831 107.4 58.3 -67.3 -30.7 31.1 -2.3 21.5 435 500 B Q H X S+ 0 0 13 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.946 110.0 37.2 -65.1 -53.7 29.0 0.8 22.3 436 501 B H H X S+ 0 0 16 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.860 116.5 54.9 -71.2 -29.2 28.0 1.7 18.7 437 502 B Q H X S+ 0 0 30 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 112.4 42.5 -66.9 -42.4 27.7 -1.9 17.8 438 503 B R H X S+ 0 0 34 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.888 111.3 54.9 -71.2 -38.9 25.2 -2.5 20.7 439 504 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 111.0 46.6 -60.1 -40.6 23.4 0.7 20.0 440 505 B A H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 110.9 50.8 -66.0 -46.6 22.9 -0.5 16.4 441 506 B Q H X S+ 0 0 37 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.913 112.5 47.8 -57.8 -45.1 21.8 -4.0 17.5 442 507 B L H >X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 3,-0.5 0.929 112.8 46.7 -61.5 -49.6 19.2 -2.4 19.9 443 508 B L H >X S+ 0 0 3 -4,-2.3 3,-0.8 1,-0.2 4,-0.6 0.830 104.6 60.7 -66.2 -32.1 17.8 0.0 17.3 444 509 B L H >X S+ 0 0 7 -4,-2.4 3,-1.2 1,-0.2 4,-0.9 0.846 96.5 61.7 -64.3 -30.6 17.5 -2.6 14.6 445 510 B I H S+ 0 0 4 -4,-2.6 5,-1.1 1,-0.2 4,-0.7 0.810 108.0 56.3 -68.1 -30.2 -10.6 -10.6 14.6 464 529 B K H <5S+ 0 0 65 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.923 107.5 47.7 -66.8 -43.6 -12.8 -7.6 15.1 465 530 B C H <5S+ 0 0 89 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 110.4 50.5 -64.9 -37.9 -14.5 -8.3 11.8 466 531 B K H <5S- 0 0 57 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.670 100.5-151.9 -72.2 -16.3 -15.0 -11.9 12.7 467 532 B N T <5 + 0 0 108 -4,-0.7 -3,-0.2 -3,-0.4 -2,-0.1 0.863 37.2 158.1 45.9 53.4 -16.4 -10.5 15.9 468 533 B V S - 0 0 96 -2,-0.3 4,-2.3 -183,-0.1 5,-0.2 -0.298 30.3-111.5 -68.9 156.2 -13.5 -2.0 24.5 473 538 B D H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.877 111.5 48.1 -57.0 -49.3 -13.8 1.6 23.5 474 539 B L H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.939 114.6 47.2 -61.3 -45.1 -10.3 2.9 24.1 475 540 B L H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 111.9 50.7 -61.0 -43.7 -8.7 -0.0 22.3 476 541 B L H X S+ 0 0 36 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.911 109.0 52.0 -60.4 -43.8 -11.2 0.4 19.4 477 542 B E H X S+ 0 0 38 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.956 112.0 45.5 -56.2 -52.7 -10.2 4.1 19.3 478 543 B M H < S+ 0 0 2 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.848 115.2 48.3 -60.7 -36.0 -6.5 3.2 19.1 479 544 B L H >X S+ 0 0 1 -4,-2.4 3,-1.9 1,-0.2 4,-1.2 0.933 107.0 54.1 -71.5 -46.9 -7.2 0.5 16.5 480 545 B D H 3< S+ 0 0 59 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 92.6 73.0 -58.7 -28.6 -9.3 2.7 14.3 481 546 B A T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.807 106.8 37.3 -56.3 -27.4 -6.5 5.3 14.2 482 547 B H T <4 S+ 0 0 44 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.714 129.3 27.0 -95.4 -25.7 -4.8 2.8 11.9 483 548 B R < 0 0 41 -4,-1.2 -3,-0.1 -26,-0.0 -25,-0.0 0.004 360.0 360.0-110.9-143.0 -7.8 1.6 10.0 484 549 B L 0 0 115 -2,-0.1 -4,-0.1 0, 0.0 -3,-0.0 0.954 360.0 360.0 -60.5 360.0 -11.2 3.1 9.1 485 !* 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 0.0 486 687 C H 0 0 71 0, 0.0 4,-0.3 0, 0.0 -414,-0.0 0.000 360.0 360.0 360.0 32.8 9.4 -19.5 -3.6 487 688 C K > + 0 0 62 3,-0.1 4,-2.6 2,-0.1 5,-0.2 0.942 360.0 38.2 -89.3 -66.7 10.1 -21.0 -7.0 488 689 C I H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.888 119.3 48.9 -53.8 -45.0 11.3 -18.2 -9.3 489 690 C L H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 110.6 52.3 -61.4 -44.0 13.4 -16.6 -6.5 490 691 C H H > S+ 0 0 67 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.958 114.7 41.0 -54.1 -56.5 14.9 -19.9 -5.7 491 692 C R H X S+ 0 0 138 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.912 113.8 51.3 -60.5 -48.8 15.9 -20.6 -9.3 492 693 C L H < S+ 0 0 27 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.833 113.2 46.7 -60.5 -31.9 17.1 -17.0 -9.9 493 694 C L H < S+ 0 0 11 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.795 112.8 51.4 -78.0 -29.0 19.2 -17.3 -6.8 494 695 C Q H < S+ 0 0 120 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.919 80.3 112.0 -71.9 -46.7 20.4 -20.7 -7.9 495 696 C D < 0 0 107 -4,-3.2 -3,-0.0 1,-0.1 -4,-0.0 0.013 360.0 360.0 -33.6 114.1 21.5 -19.5 -11.4 496 697 C S 0 0 150 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.931 360.0 360.0 -92.1 360.0 25.3 -19.7 -11.5 497 !* 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 0.0 498 686 D K 0 0 132 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.1 -14.0 14.9 17.8 499 687 D H + 0 0 142 4,-0.0 2,-0.4 3,-0.0 3,-0.1 -0.712 360.0 172.1 -85.7 123.2 -14.4 13.2 21.1 500 688 D K > - 0 0 60 -2,-0.5 4,-1.5 1,-0.1 3,-0.4 -0.988 38.4-141.5-131.0 138.6 -11.8 10.6 22.0 501 689 D I H > S+ 0 0 47 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.886 108.4 61.8 -62.4 -34.9 -11.3 8.8 25.3 502 690 D L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 99.5 53.6 -58.0 -37.3 -7.6 9.3 24.6 503 691 D H H > S+ 0 0 40 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.929 109.3 48.0 -64.1 -46.0 -8.1 13.1 24.7 504 692 D R H X S+ 0 0 144 -4,-1.5 4,-1.0 1,-0.2 3,-0.2 0.937 113.2 46.5 -61.2 -48.2 -9.7 12.9 28.1 505 693 D L H < S+ 0 0 23 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.869 112.6 50.2 -63.8 -37.6 -6.9 10.7 29.6 506 694 D L H < S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.772 113.0 47.5 -71.5 -25.7 -4.2 12.9 28.1 507 695 D Q H < 0 0 133 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.557 360.0 360.0 -93.1 -9.1 -5.8 16.0 29.5 508 696 D D < 0 0 138 -4,-1.0 -3,-0.1 -3,-0.4 -4,-0.0 -0.237 360.0 360.0 -46.1 360.0 -6.4 14.7 33.0