==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION RECEPTOR/COACTIVATOR 21-FEB-02 1L2I . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.SHIAU,D.BARSTAD,J.T.RADEK,M.J.MEYERS,K.W.NETTLES, . 486 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 74.3 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 2.5 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 . 9 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 58.4 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 0 0 1 1 2 0 1 1 0 0 2 0 0 0 2 0 1 0 0 3 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 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 74 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 117.2 34.3 -15.4 5.1 2 306 A L >> + 0 0 82 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.743 360.0 68.8 -68.4 -22.0 36.2 -12.7 3.2 3 307 A A G >4 S+ 0 0 8 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.941 93.2 53.0 -61.4 -50.2 33.4 -10.4 4.3 4 308 A L G 34 S+ 0 0 75 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.592 109.4 53.1 -63.4 -9.2 34.4 -10.5 8.0 5 309 A S G <4 S+ 0 0 77 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.531 82.5 111.4-103.4 -9.3 37.9 -9.6 6.9 6 310 A L << - 0 0 40 -3,-1.6 2,-0.1 -4,-0.5 -3,-0.0 -0.339 62.9-131.2 -67.7 145.7 37.1 -6.4 4.9 7 311 A T > - 0 0 77 1,-0.1 4,-1.8 -2,-0.0 5,-0.1 -0.387 32.3 -97.9 -86.8 172.8 38.2 -3.0 6.2 8 312 A A H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.944 125.2 46.2 -58.0 -50.9 35.7 -0.1 6.4 9 313 A D H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.831 112.4 51.5 -62.8 -32.0 36.9 1.4 3.1 10 314 A Q H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.794 108.5 52.4 -74.2 -28.5 36.8 -2.0 1.4 11 315 A M H X S+ 0 0 4 -4,-1.8 4,-2.5 -3,-0.3 5,-0.2 0.948 110.5 46.3 -69.8 -48.9 33.2 -2.5 2.7 12 316 A V H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.916 113.3 51.2 -57.4 -46.0 32.1 0.8 1.2 13 317 A S H X S+ 0 0 76 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.922 110.1 47.4 -58.4 -49.8 33.9 -0.0 -2.1 14 318 A A H X S+ 0 0 30 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.912 114.8 46.5 -60.6 -43.9 32.2 -3.5 -2.4 15 319 A L H < S+ 0 0 1 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.874 112.5 49.3 -68.1 -39.0 28.8 -2.0 -1.7 16 320 A L H >< S+ 0 0 75 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.900 112.0 48.6 -67.3 -39.3 29.2 0.9 -4.1 17 321 A D H 3< S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.724 106.4 58.4 -73.1 -19.6 30.4 -1.4 -6.8 18 322 A A T 3< S+ 0 0 5 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.555 77.0 128.3 -85.9 -8.4 27.4 -3.8 -6.2 19 323 A E < - 0 0 63 -3,-0.9 -3,-0.1 -4,-0.5 34,-0.0 -0.158 58.7-126.5 -51.6 134.7 24.9 -1.0 -6.8 20 324 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 33,-0.0 -0.413 30.5 -99.8 -79.2 161.3 22.2 -2.0 -9.4 21 325 A P - 0 0 75 0, 0.0 2,-0.5 0, 0.0 31,-0.1 -0.330 34.6-104.8 -77.4 164.8 21.5 0.3 -12.4 22 326 A I - 0 0 105 -2,-0.0 2,-0.2 79,-0.0 79,-0.1 -0.805 41.1-146.7 -89.8 126.3 18.7 2.7 -12.6 23 327 A L - 0 0 29 -2,-0.5 2,-0.3 77,-0.2 22,-0.0 -0.600 4.8-125.0 -96.7 156.0 16.0 1.4 -14.8 24 328 A Y - 0 0 144 -2,-0.2 2,-0.2 77,-0.2 3,-0.1 -0.692 20.5-123.3 -97.4 151.9 13.6 3.2 -17.2 25 329 A S - 0 0 6 -2,-0.3 17,-0.1 1,-0.2 16,-0.1 -0.513 51.3 -72.0 -87.0 159.5 9.8 2.9 -17.1 26 330 A E - 0 0 47 15,-0.2 -1,-0.2 -2,-0.2 19,-0.0 -0.327 68.2-111.2 -53.3 126.9 7.9 1.9 -20.3 27 331 A Y S S+ 0 0 201 1,-0.2 -1,-0.1 -3,-0.1 77,-0.0 -0.071 82.3 9.8 -64.6 161.1 8.2 5.0 -22.5 28 332 A D S S- 0 0 91 1,-0.1 -1,-0.2 75,-0.1 2,-0.1 0.825 77.2-168.7 38.2 56.2 5.5 7.4 -23.7 29 333 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.410 28.7-103.3 -71.1 148.2 2.7 6.2 -21.3 30 334 A T - 0 0 123 -2,-0.1 7,-0.0 2,-0.0 -2,-0.0 -0.590 50.0-115.6 -75.6 124.2 -0.8 7.5 -22.0 31 335 A R S S+ 0 0 74 -2,-0.4 2,-0.2 2,-0.1 3,-0.0 -0.866 88.0 43.0-115.7 149.5 -1.8 10.2 -19.5 32 336 A P S S- 0 0 121 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.581 91.1-130.8 -68.7 161.6 -3.7 10.7 -17.4 33 337 A F - 0 0 22 -2,-0.2 2,-0.2 4,-0.1 -2,-0.1 -0.497 9.4-141.4 -82.2 152.4 -3.3 7.2 -16.0 34 338 A S > - 0 0 63 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.598 35.3-102.2 -99.9 169.0 -6.2 5.0 -15.1 35 339 A E H > S+ 0 0 65 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.931 124.4 44.8 -59.3 -43.5 -5.9 2.9 -12.0 36 340 A A H > S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.837 112.3 50.1 -70.2 -35.1 -5.0 -0.2 -14.1 37 341 A S H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 110.3 49.2 -73.5 -37.3 -2.5 1.6 -16.4 38 342 A M H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.941 112.9 46.5 -66.4 -46.3 -0.5 3.2 -13.6 39 343 A M H X S+ 0 0 8 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.845 109.9 56.4 -63.0 -33.5 -0.2 -0.2 -11.7 40 344 A G H X S+ 0 0 17 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.931 110.2 43.5 -63.6 -46.0 0.7 -1.8 -15.0 41 345 A L H X S+ 0 0 21 -4,-2.1 4,-2.0 2,-0.2 -15,-0.2 0.940 118.1 44.4 -63.9 -48.9 3.6 0.7 -15.4 42 346 A L H X S+ 0 0 25 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.870 113.9 48.1 -66.1 -40.2 4.8 0.4 -11.8 43 347 A T H X S+ 0 0 6 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.866 109.9 53.6 -69.7 -34.8 4.5 -3.4 -11.6 44 348 A N H X S+ 0 0 41 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.931 112.2 45.0 -63.0 -45.1 6.4 -3.7 -14.9 45 349 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 3,-0.2 0.958 112.7 50.2 -62.3 -51.1 9.2 -1.6 -13.4 46 350 A A H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.878 106.8 55.5 -56.4 -41.2 9.2 -3.4 -10.1 47 351 A D H X S+ 0 0 32 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.909 111.4 42.8 -60.4 -43.0 9.4 -6.8 -11.8 48 352 A R H X S+ 0 0 84 -4,-1.6 4,-1.3 -3,-0.2 3,-0.4 0.893 112.2 54.6 -71.1 -37.3 12.5 -5.8 -13.7 49 353 A E H X S+ 0 0 37 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.863 101.4 59.5 -62.2 -36.7 14.0 -4.2 -10.6 50 354 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.853 100.0 55.6 -61.6 -35.5 13.6 -7.4 -8.7 51 355 A V H X S+ 0 0 55 -4,-1.0 4,-1.3 -3,-0.4 -1,-0.2 0.924 111.1 43.7 -64.1 -43.1 15.8 -9.3 -11.1 52 356 A H H X S+ 0 0 72 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.806 110.1 57.0 -70.3 -30.7 18.6 -6.8 -10.5 53 357 A M H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.906 102.9 53.6 -65.9 -44.5 18.0 -6.8 -6.8 54 358 A I H X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.898 112.6 44.4 -57.8 -41.6 18.5 -10.6 -6.6 55 359 A N H < S+ 0 0 77 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.777 110.9 53.7 -76.0 -26.6 21.9 -10.2 -8.3 56 360 A W H >< S+ 0 0 7 -4,-1.6 3,-1.4 1,-0.2 4,-0.4 0.903 104.0 57.1 -70.4 -41.4 22.8 -7.2 -6.1 57 361 A A H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 6,-0.2 0.858 98.8 59.3 -56.5 -40.2 22.1 -9.3 -3.0 58 362 A K T 3< S+ 0 0 47 -4,-1.1 -1,-0.3 1,-0.3 6,-0.3 0.725 105.1 51.2 -63.1 -21.5 24.6 -11.9 -4.1 59 363 A R T < S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.459 82.4 105.2 -95.7 -2.2 27.3 -9.1 -4.1 60 364 A V S X S- 0 0 2 -3,-1.5 3,-2.2 -4,-0.4 4,-0.4 -0.708 88.9-100.3 -81.0 118.0 26.5 -7.9 -0.5 61 365 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.067 103.6 11.0 -41.6 122.2 29.3 -9.2 1.7 62 366 A G T > S+ 0 0 7 -4,-0.1 3,-1.1 4,-0.0 4,-0.4 -0.040 96.8 100.8 99.2 -30.5 28.2 -12.4 3.6 63 367 A F G X S+ 0 0 0 -3,-2.2 3,-1.3 1,-0.3 -5,-0.1 0.844 80.3 55.1 -57.5 -36.4 25.0 -13.1 1.7 64 368 A V G 3 S+ 0 0 87 -4,-0.4 -1,-0.3 -6,-0.3 7,-0.1 0.771 97.3 66.0 -68.1 -25.5 26.7 -15.8 -0.4 65 369 A D G < S+ 0 0 70 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.585 89.0 86.7 -72.4 -10.7 27.8 -17.5 2.9 66 370 A L S < S- 0 0 9 -3,-1.3 2,-0.0 -4,-0.4 -4,-0.0 -0.497 88.0 -98.1 -89.7 161.0 24.1 -18.2 3.7 67 371 A T > - 0 0 64 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.340 32.3-111.7 -73.6 158.9 22.1 -21.2 2.5 68 372 A L H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 119.8 55.0 -58.0 -38.8 19.8 -21.0 -0.5 69 373 A H H > S+ 0 0 143 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 111.3 43.5 -61.8 -42.2 16.9 -21.4 1.9 70 374 A D H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 111.6 53.2 -69.9 -44.6 18.0 -18.4 4.0 71 375 A Q H X S+ 0 0 21 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.928 110.6 48.2 -55.4 -46.4 18.9 -16.3 1.0 72 376 A V H X S+ 0 0 10 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.919 111.7 50.6 -59.1 -46.3 15.4 -16.9 -0.3 73 377 A H H X S+ 0 0 87 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.912 109.3 48.7 -60.3 -48.1 13.9 -16.0 3.1 74 378 A L H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.905 114.4 45.9 -62.2 -42.0 15.8 -12.7 3.5 75 379 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.904 110.8 52.2 -68.6 -40.9 14.8 -11.5 0.0 76 380 A E H < S+ 0 0 29 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.851 115.3 42.9 -63.1 -33.9 11.2 -12.5 0.4 77 381 A C H < S+ 0 0 24 -4,-1.9 4,-0.2 -5,-0.2 -2,-0.2 0.880 125.0 32.3 -79.1 -38.3 11.0 -10.6 3.6 78 382 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.528 83.3 100.3 -99.7 -7.1 12.9 -7.5 2.4 79 383 A W H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 5,-0.1 0.866 88.6 42.9 -49.6 -47.6 12.2 -6.9 -1.3 80 384 A L H > S+ 0 0 21 -4,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 112.4 53.8 -69.5 -35.7 9.6 -4.2 -0.9 81 385 A E H > S+ 0 0 4 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 111.2 47.5 -61.1 -42.0 11.7 -2.4 1.8 82 386 A I H X S+ 0 0 10 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.864 111.2 49.7 -67.6 -38.8 14.6 -2.4 -0.6 83 387 A L H X S+ 0 0 24 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.947 113.0 48.6 -65.1 -45.3 12.5 -1.1 -3.5 84 388 A M H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.896 109.9 48.1 -63.4 -43.7 11.1 1.7 -1.3 85 389 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.850 110.9 52.3 -69.0 -30.7 14.4 2.9 0.1 86 390 A G H X S+ 0 0 10 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.909 111.1 48.1 -67.5 -40.1 15.9 3.0 -3.4 87 391 A L H X S+ 0 0 9 -4,-2.0 4,-1.5 2,-0.2 12,-0.4 0.906 110.6 50.1 -64.6 -43.0 12.9 5.0 -4.5 88 392 A V H X S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.890 111.2 50.5 -64.1 -37.2 13.3 7.4 -1.6 89 393 A W H >< S+ 0 0 78 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.919 109.5 48.4 -66.3 -45.7 17.0 7.8 -2.4 90 394 A R H 3< S+ 0 0 42 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.779 112.5 51.7 -64.9 -26.8 16.4 8.6 -6.1 91 395 A S H >< S+ 0 0 0 -4,-1.5 3,-2.2 1,-0.2 6,-0.3 0.509 78.4 99.1 -89.8 -6.1 13.8 11.1 -5.0 92 396 A M T << S+ 0 0 26 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.874 85.4 45.1 -47.1 -50.2 15.9 13.1 -2.5 93 397 A E T 3 S+ 0 0 85 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.346 102.8 72.4 -79.9 6.0 16.7 15.9 -4.9 94 398 A H S X S- 0 0 70 -3,-2.2 3,-2.5 3,-0.2 -1,-0.2 -0.602 76.6-153.4-122.9 72.7 13.1 16.2 -6.1 95 399 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.087 79.4 9.3 -45.3 133.2 11.1 17.8 -3.3 96 400 A G T 3 S+ 0 0 47 29,-0.2 12,-0.7 1,-0.2 2,-0.3 0.336 115.2 88.3 77.5 -8.0 7.4 16.8 -3.5 97 401 A K E < -A 107 0A 14 -3,-2.5 2,-0.6 -6,-0.3 10,-0.2 -0.900 66.2-136.7-127.3 155.5 7.9 14.1 -6.2 98 402 A L E -A 106 0A 2 8,-3.1 8,-2.3 -2,-0.3 2,-1.5 -0.938 14.2-149.5-109.4 118.2 8.8 10.5 -6.4 99 403 A L E +A 105 0A 27 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.620 26.3 166.0 -88.6 81.8 11.4 9.5 -9.1 100 404 A F E S- 0 0 27 -2,-1.5 -1,-0.2 4,-1.3 -77,-0.2 0.861 75.6 -11.5 -63.0 -34.2 10.3 6.0 -10.0 101 405 A A E > S-A 104 0A 0 3,-1.2 3,-2.8 -3,-0.2 -1,-0.2 -0.966 77.9 -98.4-159.4 157.7 12.5 6.2 -13.1 102 406 A P T 3 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.836 128.8 41.4 -51.7 -33.0 14.4 9.0 -14.9 103 407 A N T 3 S+ 0 0 63 1,-0.2 2,-0.2 -4,-0.0 -75,-0.1 0.227 112.4 61.4 -99.7 13.5 11.5 9.2 -17.4 104 408 A L E < +A 101 0A 11 -3,-2.8 -4,-1.3 2,-0.0 -3,-1.2 -0.637 54.1 161.1-143.4 85.1 8.8 8.9 -14.7 105 409 A L E -A 99 0A 78 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.2 -0.890 21.4-170.5-107.0 106.6 8.7 11.6 -11.9 106 410 A L E -A 98 0A 5 -8,-2.3 -8,-3.1 -2,-0.7 2,-0.2 -0.661 13.7-144.0-102.2 154.7 5.3 11.5 -10.2 107 411 A D E >> -A 97 0A 40 -2,-0.2 3,-0.9 -10,-0.2 4,-0.5 -0.670 34.8-103.5-107.1 164.4 3.6 13.9 -7.7 108 412 A R G >4 S+ 0 0 91 -12,-0.7 3,-1.1 1,-0.3 4,-0.3 0.814 118.4 64.0 -58.3 -31.8 1.3 12.9 -4.8 109 413 A N G >4 S+ 0 0 110 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.878 98.1 53.7 -60.1 -38.9 -1.7 14.0 -6.8 110 414 A Q G X4 S+ 0 0 64 -3,-0.9 3,-1.1 1,-0.3 -1,-0.3 0.652 95.7 70.6 -70.4 -13.7 -1.0 11.3 -9.4 111 415 A G G X< S+ 0 0 0 -3,-1.1 3,-0.9 -4,-0.5 7,-0.5 0.627 84.1 68.6 -76.9 -12.5 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111.0 53.1 -64.1 -42.7 20.5 6.3 15.7 194 506 A Q H X S+ 0 0 39 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.904 111.0 46.8 -59.2 -43.0 18.7 8.7 13.4 195 507 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 3,-0.4 0.900 113.1 47.2 -67.6 -42.6 19.6 6.5 10.4 196 508 A L H < S+ 0 0 4 -4,-2.2 3,-0.4 1,-0.2 4,-0.4 0.822 106.2 58.0 -71.1 -31.0 18.5 3.2 12.0 197 509 A L H >X S+ 0 0 9 -4,-2.2 3,-0.8 1,-0.2 4,-0.8 0.752 97.1 63.2 -69.3 -23.1 15.2 4.6 13.3 198 510 A I H >X S+ 0 0 1 -4,-0.8 4,-2.2 -3,-0.4 3,-0.7 0.855 92.6 64.2 -68.0 -32.3 14.3 5.5 9.7 199 511 A L H 3X S+ 0 0 6 -4,-0.7 4,-1.8 -3,-0.4 -1,-0.2 0.736 95.0 59.4 -63.0 -21.2 14.5 1.8 9.0 200 512 A S H <> S+ 0 0 4 -3,-0.8 4,-1.6 -4,-0.4 -1,-0.3 0.860 107.1 45.5 -73.2 -37.1 11.5 1.4 11.3 201 513 A H H <>S+ 0 0 8 -4,-1.9 5,-2.0 1,-0.2 6,-0.6 0.858 108.8 61.8 -68.4 -35.1 -5.1 -4.5 -5.8 217 529 A K H ><5S+ 0 0 87 -4,-2.0 3,-2.4 1,-0.2 5,-0.2 0.954 101.3 48.1 -55.2 -57.3 -4.4 -8.2 -6.6 218 530 A C H 3<5S+ 0 0 118 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.694 107.6 58.6 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458 B V T < S+ 0 0 20 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.704 81.5 47.3 -54.8 -23.1 7.0 11.3 14.0 391 459 B Y T 3 0 0 34 -4,-0.4 -1,-0.3 -3,-0.3 -265,-0.1 0.117 360.0 360.0-108.3 22.7 6.8 11.1 10.2 392 460 B T < 0 0 101 -3,-2.0 -1,-0.2 -266,-0.1 -2,-0.1 -0.034 360.0 360.0-132.4 360.0 3.0 11.1 9.7 393 ! 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 0.0 394 472 B K > 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -12.9 9.2 17.7 14.8 395 473 B D H > + 0 0 57 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.897 360.0 51.4 -65.0 -40.2 12.4 19.4 15.7 396 474 B H H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 110.4 46.6 -62.0 -50.9 11.5 19.1 19.4 397 475 B I H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 112.1 51.6 -59.4 -42.4 10.8 15.3 19.1 398 476 B H H X S+ 0 0 32 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.865 108.7 51.2 -63.3 -36.4 14.1 14.8 17.2 399 477 B R H X S+ 0 0 117 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.859 109.9 49.6 -69.1 -34.5 16.0 16.7 19.9 400 478 B V H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.874 108.1 54.1 -71.7 -35.2 14.5 14.5 22.6 401 479 B L H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.885 106.3 50.7 -65.8 -39.8 15.4 11.4 20.6 402 480 B D H X S+ 0 0 25 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.893 107.9 56.0 -63.3 -37.6 19.1 12.4 20.4 403 481 B K H X S+ 0 0 33 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.926 107.6 46.3 -58.7 -48.5 18.9 13.0 24.2 404 482 B I H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.858 110.0 54.9 -64.5 -34.5 17.7 9.4 24.7 405 483 B T H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.944 107.5 49.1 -62.4 -47.8 20.4 8.2 22.4 406 484 B D H X S+ 0 0 37 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.894 110.5 52.3 -56.7 -41.4 23.0 10.0 24.5 407 485 B T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.900 107.7 50.5 -63.9 -41.8 21.5 8.4 27.6 408 486 B L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.910 112.6 45.5 -61.7 -45.4 21.7 4.9 26.1 409 487 B I H X S+ 0 0 18 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.928 110.1 55.8 -63.7 -44.6 25.4 5.3 25.2 410 488 B H H X S+ 0 0 68 -4,-2.5 4,-2.5 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-1,-0.2 0.905 110.1 49.3 -66.1 -44.5 33.2 -0.0 19.6 421 499 B Q H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.827 108.0 58.3 -64.5 -31.2 30.9 -2.2 21.7 422 500 B Q H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.957 109.4 39.0 -65.5 -53.1 28.8 0.8 22.5 423 501 B H H X S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.826 116.3 53.1 -70.8 -26.4 27.9 1.7 19.0 424 502 B Q H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.903 111.6 44.9 -73.0 -38.4 27.5 -1.9 18.0 425 503 B R H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.887 111.1 54.3 -70.6 -38.0 25.1 -2.5 20.9 426 504 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.932 110.2 46.1 -59.7 -46.9 23.2 0.7 20.1 427 505 B A H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.924 110.5 53.9 -62.2 -44.0 22.7 -0.4 16.5 428 506 B Q H X S+ 0 0 39 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.892 110.2 47.1 -56.7 -43.8 21.6 -3.9 17.7 429 507 B L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.913 112.8 46.9 -66.1 -46.0 19.0 -2.5 20.0 430 508 B L H X S+ 0 0 3 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.813 106.3 58.8 -68.7 -30.5 17.5 -0.0 17.4 431 509 B L H >X S+ 0 0 11 -4,-2.2 3,-0.9 1,-0.2 4,-0.8 0.838 98.9 58.6 -67.1 -32.9 17.3 -2.7 14.7 432 510 B I H 3X S+ 0 0 9 -4,-1.1 4,-2.0 -3,-0.3 3,-0.5 0.812 94.8 67.6 -65.4 -27.0 15.1 -4.8 17.0 433 511 B L H 3X S+ 0 0 5 -4,-0.7 4,-1.8 -3,-0.4 -1,-0.2 0.817 94.2 55.3 -62.9 -30.4 12.7 -1.8 17.0 434 512 B S H S+ 0 0 12 -4,-2.0 5,-1.7 2,-0.2 6,-0.3 0.905 109.5 51.6 -64.8 -40.2 -10.9 -10.6 14.9 451 529 B K H ><5S+ 0 0 59 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.944 110.2 45.8 -61.0 -51.4 -13.1 -7.5 15.2 452 530 B C H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 110.3 54.6 -64.9 -26.8 -14.9 -8.1 12.0 453 531 B K T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.484 103.2-139.1 -83.3 -2.9 -15.3 -11.8 12.9 454 532 B N T < 5 + 0 0 129 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.853 43.7 159.5 44.9 45.0 -16.9 -10.5 16.2 455 533 B V S - 0 0 84 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.240 32.3-110.7 -61.3 154.0 -13.9 -2.3 24.9 460 538 B D H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.871 113.1 45.7 -57.6 -45.6 -14.3 1.4 23.9 461 539 B L H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 114.2 48.5 -65.5 -46.7 -10.7 2.6 24.5 462 540 B L H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 111.9 51.0 -59.7 -38.7 -9.2 -0.4 22.7 463 541 B L H X S+ 0 0 35 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.902 107.9 52.4 -65.4 -42.6 -11.6 0.2 19.8 464 542 B E H X S+ 0 0 48 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.947 111.2 46.2 -57.5 -50.2 -10.7 3.8 19.6 465 543 B M H < S+ 0 0 3 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.869 114.8 48.3 -61.7 -37.5 -7.0 3.0 19.4 466 544 B L H >< S+ 0 0 5 -4,-2.1 3,-2.2 -5,-0.2 -2,-0.2 0.949 108.6 51.4 -68.3 -50.7 -7.7 0.3 16.8 467 545 B D H 3< S+ 0 0 96 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 93.1 74.7 -57.9 -28.5 -9.9 2.4 14.5 468 546 B A T 3< 0 0 45 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.737 360.0 360.0 -56.9 -20.7 -7.2 5.1 14.5 469 547 B H < 0 0 93 -3,-2.2 -2,-0.2 -4,-0.3 -1,-0.2 0.871 360.0 360.0 -99.1 360.0 -5.5 2.6 12.1 470 !* 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 0.0 471 687 C H 0 0 78 0, 0.0 -399,-0.0 0, 0.0 -244,-0.0 0.000 360.0 360.0 360.0 61.2 9.4 -19.4 -3.9 472 688 C K > + 0 0 58 3,-0.1 4,-2.1 2,-0.1 5,-0.2 0.840 360.0 34.6-103.3 -70.0 10.1 -20.8 -7.4 473 689 C I H > S+ 0 0 36 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.908 119.0 52.7 -54.5 -47.6 11.5 -18.1 -9.7 474 690 C L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 107.3 53.7 -56.0 -41.5 13.5 -16.5 -6.9 475 691 C H H > S+ 0 0 73 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.962 112.6 42.5 -57.4 -54.7 15.0 -19.9 -6.1 476 692 C R H >X S+ 0 0 137 -4,-2.1 4,-2.5 1,-0.2 3,-0.6 0.918 112.5 52.3 -59.7 -48.7 16.2 -20.4 -9.7 477 693 C L H 3< S+ 0 0 33 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.0 51.2 -58.7 -35.8 17.5 -16.9 -10.1 478 694 C L H 3< S+ 0 0 12 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.771 112.3 47.4 -72.9 -25.4 19.5 -17.3 -6.9 479 695 C Q H << 0 0 121 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.847 360.0 360.0 -82.5 -38.0 21.0 -20.5 -8.2 480 696 C D < 0 0 123 -4,-2.5 -1,-0.2 -5,-0.1 -4,-0.0 -0.381 360.0 360.0 -68.2 360.0 21.9 -19.3 -11.7 481 !* 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 0.0 482 686 D K 0 0 133 0, 0.0 2,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 158.8 -14.0 14.7 18.1 483 687 D H + 0 0 166 4,-0.1 2,-0.4 3,-0.0 3,-0.1 -0.771 360.0 170.1 -89.8 115.6 -14.8 13.1 21.4 484 688 D K > - 0 0 15 -2,-0.7 4,-1.9 1,-0.1 5,-0.1 -0.973 42.7-140.4-129.5 142.6 -12.2 10.5 22.4 485 689 D I H > S+ 0 0 46 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.881 110.9 58.4 -62.1 -35.7 -11.6 8.6 25.6 486 690 D L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 102.9 51.0 -59.6 -44.4 -7.9 9.2 24.8 487 691 D H H > S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 111.8 47.5 -58.0 -48.2 -8.5 12.9 24.8 488 692 D R H < S+ 0 0 181 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.6 46.5 -60.5 -46.7 -10.2 12.8 28.2 489 693 D L H < S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.4 54.9 -67.7 -35.3 -7.5 10.6 29.7 490 694 D L H < 0 0 10 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 360.0 360.0 -68.3 -31.0 -4.6 12.7 28.3 491 695 D Q < 0 0 163 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.157 360.0 360.0 -95.6 360.0 -6.1 15.9 29.9