==== 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 HORMONE/GROWTH FACTOR RECEPTOR 08-OCT-04 1XP6 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.M.D.FITZGERALD,N.SHARMA . 245 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 71.8 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 . 6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 55.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 0 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 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 . 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 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 1 307 A A 0 0 20 0, 0.0 8,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 -15.6 9.4 12.5 9.9 2 308 A L + 0 0 79 1,-0.1 170,-0.0 173,-0.0 3,-0.0 0.440 360.0 28.1 -94.7 -4.3 8.9 15.9 8.2 3 309 A S S S+ 0 0 117 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.412 99.4 106.5-124.9 -11.6 5.2 15.3 7.7 4 310 A L S S- 0 0 49 1,-0.1 3,-0.0 4,-0.1 2,-0.0 -0.410 72.9-121.8 -60.3 137.7 4.8 13.0 10.8 5 311 A T > - 0 0 64 1,-0.1 4,-1.4 -2,-0.1 5,-0.1 -0.275 25.4-105.5 -71.1 173.6 3.0 14.7 13.7 6 312 A A H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 125.8 50.4 -61.8 -46.1 4.7 15.1 17.1 7 313 A D H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.875 109.5 50.2 -60.7 -35.8 2.4 12.4 18.3 8 314 A Q H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.827 109.6 50.9 -74.9 -28.0 3.4 10.1 15.4 9 315 A M H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.954 110.3 48.7 -72.5 -44.8 7.1 10.6 16.0 10 316 A V H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.903 113.6 46.0 -58.6 -48.6 6.8 9.7 19.7 11 317 A S H X S+ 0 0 60 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.891 112.0 51.2 -68.8 -35.1 4.8 6.6 19.0 12 318 A A H X S+ 0 0 29 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.939 112.9 46.6 -65.2 -39.2 7.2 5.5 16.2 13 319 A L H < S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.900 113.2 47.7 -67.1 -42.1 10.2 6.0 18.5 14 320 A L H >< S+ 0 0 66 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.941 111.6 51.7 -62.8 -42.0 8.5 4.1 21.4 15 321 A D H 3< S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.777 106.4 55.4 -61.9 -31.9 7.6 1.3 18.9 16 322 A A T 3< S+ 0 0 4 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.508 75.9 131.3 -82.8 -5.1 11.2 1.1 17.7 17 323 A E < - 0 0 69 -3,-1.2 -3,-0.0 -4,-0.5 34,-0.0 -0.150 55.3-125.7 -56.6 139.9 12.8 0.5 21.1 18 324 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.323 29.7 -98.0 -77.9 164.6 15.2 -2.4 21.2 19 325 A P - 0 0 70 0, 0.0 2,-0.6 0, 0.0 31,-0.1 -0.380 32.4-107.1 -79.3 164.0 14.9 -5.2 23.8 20 326 A I - 0 0 111 -2,-0.1 2,-0.2 79,-0.0 79,-0.1 -0.812 40.7-153.6 -88.9 120.5 16.8 -5.5 27.1 21 327 A L - 0 0 31 -2,-0.6 2,-0.3 77,-0.2 22,-0.0 -0.550 5.4-126.7 -94.7 160.5 19.4 -8.2 26.7 22 328 A Y - 0 0 134 -2,-0.2 2,-0.2 77,-0.2 -1,-0.0 -0.748 24.2-106.2-103.4 155.6 20.9 -10.4 29.4 23 329 A S - 0 0 6 -2,-0.3 2,-0.9 1,-0.1 17,-0.1 -0.531 33.2-128.7 -71.9 145.6 24.6 -11.0 30.1 24 330 A E + 0 0 144 15,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.798 58.3 114.2-104.3 92.8 25.7 -14.5 29.1 25 331 A Y S S- 0 0 73 -2,-0.9 -2,-0.0 9,-0.0 9,-0.0 -0.977 73.3 -92.5-151.2 154.0 27.5 -16.3 31.9 26 332 A D > - 0 0 93 -2,-0.3 3,-1.7 1,-0.2 -2,-0.1 -0.627 30.0-162.3 -72.9 113.3 26.7 -19.4 34.0 27 333 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.393 88.9 64.6 -76.2 -1.1 24.8 -18.1 37.1 28 334 A T T 3 S+ 0 0 121 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.422 95.6 75.2 -96.8 0.4 25.6 -21.3 38.8 29 335 A R S < S- 0 0 43 -3,-1.7 -4,-0.0 1,-0.1 0, 0.0 -0.756 88.5 -93.0-116.7 160.0 29.3 -20.5 38.6 30 336 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.026 24.6-136.4 -71.0 174.5 31.6 -18.2 40.7 31 337 A F S > S+ 0 0 79 2,-0.1 3,-2.4 1,-0.1 -2,-0.0 0.791 89.3 69.1-107.6 -36.6 32.4 -14.6 39.7 32 338 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.753 100.4 59.2 -54.0 -25.5 36.1 -13.9 40.2 33 339 A E T 3 S+ 0 0 148 2,-0.1 -1,-0.3 0, 0.0 2,-0.3 0.439 87.5 90.6 -80.4 -15.9 36.6 -16.4 37.3 34 340 A A S < S- 0 0 37 -3,-2.4 2,-0.7 -9,-0.0 3,-0.1 -0.623 79.7-124.7 -85.8 146.0 34.6 -14.3 34.8 35 341 A S > - 0 0 57 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.834 16.1-157.0 -87.7 118.1 36.3 -11.7 32.7 36 342 A M H > S+ 0 0 18 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.928 95.8 46.4 -61.7 -40.9 34.4 -8.5 33.3 37 343 A M H > S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.878 110.5 53.5 -69.6 -31.5 35.5 -7.1 30.0 38 344 A G H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 111.7 45.4 -59.8 -50.1 34.6 -10.4 28.3 39 345 A L H X S+ 0 0 14 -4,-2.7 4,-2.1 2,-0.2 -15,-0.2 0.930 116.8 44.6 -56.9 -50.2 31.1 -10.1 29.7 40 346 A L H X S+ 0 0 20 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.929 113.8 49.1 -64.0 -46.8 30.7 -6.5 28.8 41 347 A T H X S+ 0 0 16 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.882 110.3 50.7 -60.8 -41.1 32.1 -6.9 25.3 42 348 A N H X S+ 0 0 95 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.917 112.5 48.1 -66.0 -41.7 29.9 -9.8 24.6 43 349 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.2 3,-0.2 0.961 111.3 48.5 -59.2 -54.2 26.8 -7.9 25.7 44 350 A A H X S+ 0 0 26 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.896 109.5 52.9 -58.1 -40.6 27.7 -4.7 23.7 45 351 A D H X S+ 0 0 60 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.893 108.9 49.4 -66.9 -33.7 28.3 -6.8 20.5 46 352 A R H X S+ 0 0 70 -4,-1.7 4,-0.9 -3,-0.2 3,-0.4 0.874 108.0 54.9 -72.4 -32.7 24.9 -8.4 20.8 47 353 A E H X S+ 0 0 39 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.821 94.4 70.3 -64.8 -31.2 23.2 -5.1 21.3 48 354 A L H X S+ 0 0 21 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.895 94.9 52.1 -61.6 -34.9 24.8 -3.8 18.1 49 355 A V H X S+ 0 0 74 -4,-0.8 4,-1.5 -3,-0.4 -1,-0.2 0.946 111.3 46.8 -67.5 -41.2 22.5 -5.9 15.9 50 356 A H H X S+ 0 0 64 -4,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.827 105.4 61.7 -66.2 -31.7 19.5 -4.7 17.7 51 357 A M H X S+ 0 0 9 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.901 102.9 49.7 -60.7 -38.8 20.8 -1.1 17.4 52 358 A I H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.920 109.9 50.9 -66.8 -38.5 20.7 -1.4 13.5 53 359 A N H X S+ 0 0 80 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.946 112.9 46.3 -59.4 -48.6 17.2 -2.7 13.6 54 360 A W H >X S+ 0 0 6 -4,-2.4 3,-1.7 1,-0.2 4,-0.7 0.921 109.4 53.8 -58.2 -49.0 16.2 0.3 15.8 55 361 A A H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 6,-0.2 0.902 103.8 56.0 -58.1 -40.9 18.0 2.8 13.7 56 362 A K H 3< S+ 0 0 76 -4,-2.2 6,-0.4 1,-0.3 -1,-0.3 0.716 106.6 52.3 -65.6 -17.6 16.2 1.6 10.6 57 363 A R H << S+ 0 0 141 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.467 81.5 104.4 -97.8 -4.9 12.9 2.3 12.5 58 364 A V S X< S- 0 0 2 -3,-1.4 3,-2.2 -4,-0.7 4,-0.5 -0.651 89.7-100.6 -71.8 123.4 13.9 5.9 13.4 59 365 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.206 103.3 10.5 -52.6 126.5 11.8 8.2 11.0 60 366 A G T > S+ 0 0 7 -4,-0.1 3,-0.8 4,-0.0 4,-0.4 0.153 97.9 104.1 93.6 -18.0 13.9 9.4 8.1 61 367 A F G X S+ 0 0 0 -3,-2.2 3,-1.8 1,-0.2 -5,-0.1 0.958 79.3 46.1 -65.3 -49.4 17.0 7.2 8.7 62 368 A V G 3 S+ 0 0 74 -4,-0.5 -1,-0.2 -6,-0.4 -6,-0.1 0.512 98.1 72.9 -77.8 3.1 16.5 4.6 6.0 63 369 A D G < S+ 0 0 115 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.646 85.4 88.1 -83.7 -10.6 15.8 7.4 3.5 64 370 A L S < S- 0 0 7 -3,-1.8 -4,-0.0 -4,-0.4 2,-0.0 -0.375 95.1 -91.8 -74.4 157.3 19.5 8.1 3.7 65 371 A T > - 0 0 32 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.280 36.1-112.3 -62.0 156.9 22.0 6.4 1.5 66 372 A L H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 118.1 54.2 -57.6 -46.9 23.5 3.2 2.8 67 373 A H H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 109.7 46.7 -56.1 -39.1 26.9 4.9 3.1 68 374 A D H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 109.6 53.3 -74.4 -34.4 25.5 7.7 5.2 69 375 A Q H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.915 110.7 48.2 -62.8 -42.0 23.6 5.3 7.4 70 376 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.947 110.8 51.0 -59.5 -51.5 26.9 3.4 8.0 71 377 A H H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.910 109.6 49.2 -53.6 -49.2 28.7 6.7 8.8 72 378 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.938 114.3 44.8 -60.9 -45.1 26.1 7.9 11.4 73 379 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.888 109.9 54.9 -67.7 -36.9 26.2 4.5 13.2 74 380 A E H < S+ 0 0 75 -4,-2.9 4,-0.2 1,-0.2 -1,-0.2 0.867 114.6 42.5 -63.7 -34.6 30.0 4.3 13.1 75 381 A C H < S+ 0 0 42 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.836 125.2 30.8 -73.7 -37.1 30.1 7.7 14.8 76 382 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.547 82.7 102.3-107.4 -5.5 27.3 7.2 17.3 77 383 A W H X S+ 0 0 46 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.845 89.0 42.5 -59.0 -38.7 27.2 3.5 18.3 78 384 A L H > S+ 0 0 16 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 113.5 51.8 -77.5 -36.3 29.0 4.0 21.7 79 385 A E H > S+ 0 0 3 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.916 111.3 49.8 -56.3 -42.1 27.0 7.1 22.6 80 386 A I H X S+ 0 0 9 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.947 111.7 46.2 -65.5 -47.9 23.8 5.1 21.8 81 387 A L H X S+ 0 0 18 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.913 114.6 49.8 -56.2 -42.9 24.9 2.2 24.0 82 388 A M H X S+ 0 0 14 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.919 108.4 48.7 -70.7 -41.0 25.9 4.5 26.8 83 389 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.880 112.1 52.3 -65.2 -33.9 22.7 6.6 26.8 84 390 A G H X S+ 0 0 11 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.937 110.6 47.5 -59.9 -47.2 20.8 3.3 26.9 85 391 A L H X S+ 0 0 8 -4,-2.4 4,-1.5 2,-0.2 12,-0.5 0.907 111.8 48.4 -62.3 -43.5 22.9 2.1 29.9 86 392 A V H < S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.902 110.6 53.2 -66.5 -38.1 22.4 5.4 31.8 87 393 A W H >< S+ 0 0 77 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.914 111.2 43.6 -61.5 -47.5 18.7 5.2 31.2 88 394 A R H 3< S+ 0 0 52 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.752 113.1 54.4 -76.4 -16.0 18.3 1.7 32.5 89 395 A S T >< S+ 0 0 0 -4,-1.5 3,-2.3 -5,-0.2 6,-0.3 0.535 80.1 96.4 -84.9 -5.8 20.6 2.6 35.5 90 396 A M T < S+ 0 0 16 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.823 86.4 43.8 -56.5 -40.8 18.4 5.7 36.5 91 397 A E T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.136 103.0 73.3 -92.5 16.3 16.5 3.8 39.2 92 398 A H S X S- 0 0 63 -3,-2.3 3,-2.6 3,-0.2 -1,-0.2 -0.578 77.2-154.4-129.7 66.5 19.6 2.1 40.5 93 399 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.084 77.7 10.1 -46.5 130.9 21.6 4.7 42.4 94 400 A G T 3 S+ 0 0 48 29,-0.2 12,-0.6 1,-0.2 2,-0.3 0.439 116.3 87.3 78.1 -1.7 25.3 4.0 42.6 95 401 A K E < -A 105 0A 87 -3,-2.6 2,-0.5 -6,-0.3 10,-0.2 -0.933 67.1-135.4-132.8 159.3 25.1 1.2 40.1 96 402 A L E -A 104 0A 0 8,-3.2 8,-2.5 -2,-0.3 2,-1.4 -0.955 14.3-148.5-109.7 122.2 25.2 0.5 36.4 97 403 A L E +A 103 0A 23 -2,-0.5 6,-0.2 -12,-0.5 -9,-0.1 -0.678 28.1 164.8 -90.5 78.5 22.5 -1.8 35.0 98 404 A F E S- 0 0 24 -2,-1.4 -1,-0.2 4,-1.3 -77,-0.2 0.902 77.7 -16.2 -58.9 -42.3 24.5 -3.4 32.1 99 405 A A E > S-A 102 0A 0 3,-1.3 3,-2.8 -3,-0.2 -1,-0.3 -0.960 78.1 -97.0-152.5 159.6 21.9 -6.1 32.0 100 406 A P T 3 S+ 0 0 60 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.785 129.2 40.9 -53.6 -24.6 19.2 -7.2 34.5 101 407 A N T 3 S+ 0 0 50 1,-0.2 2,-0.1 -4,-0.0 -79,-0.1 0.013 111.8 60.9-111.3 23.2 21.6 -9.9 35.6 102 408 A L E < +A 99 0A 6 -3,-2.8 -4,-1.3 2,-0.0 -3,-1.3 -0.602 58.3 159.6-151.1 82.2 24.6 -7.7 35.6 103 409 A L E -A 97 0A 61 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.2 -0.936 19.0-171.6-110.5 117.5 24.4 -4.8 37.9 104 410 A L E -A 96 0A 3 -8,-2.5 -8,-3.2 -2,-0.6 2,-0.1 -0.872 13.4-151.5-119.4 140.2 27.8 -3.3 38.8 105 411 A D E >> -A 95 0A 57 -2,-0.4 3,-0.8 -10,-0.2 4,-0.8 -0.464 41.2 -94.7 -98.0 174.7 28.9 -0.6 41.3 106 412 A R H >> S+ 0 0 99 -12,-0.6 3,-1.2 1,-0.3 4,-1.2 0.897 123.8 58.1 -63.6 -34.2 32.0 1.6 40.9 107 413 A N H 34 S+ 0 0 94 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.856 100.8 56.3 -65.7 -27.2 34.1 -0.7 42.9 108 414 A Q H X4 S+ 0 0 57 -3,-0.8 3,-0.5 1,-0.2 -1,-0.3 0.728 101.2 60.1 -73.9 -15.7 33.4 -3.5 40.4 109 415 A G H X< S+ 0 0 0 -3,-1.2 3,-2.1 -4,-0.8 7,-0.3 0.800 87.5 70.7 -78.6 -28.3 34.7 -1.2 37.8 110 416 A K T 3< S+ 0 0 114 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.785 77.2 85.0 -57.2 -23.7 38.1 -1.0 39.4 111 417 A C T < S+ 0 0 87 -3,-0.5 2,-0.5 -4,-0.4 -1,-0.3 0.744 89.9 53.0 -49.6 -29.7 38.5 -4.6 38.2 112 418 A V S X> S- 0 0 22 -3,-2.1 3,-2.9 -4,-0.1 4,-0.6 -0.956 98.2-110.4-118.9 126.0 39.7 -3.2 34.9 113 419 A E T 34 S+ 0 0 163 -2,-0.5 -2,-0.1 1,-0.3 -3,-0.1 -0.238 102.6 4.2 -53.0 127.9 42.5 -0.7 34.6 114 420 A G T 3> S+ 0 0 30 -4,-0.1 4,-0.6 1,-0.1 -1,-0.3 0.389 104.2 104.1 74.5 0.3 41.2 2.7 33.6 115 421 A M H <> + 0 0 9 -3,-2.9 4,-2.4 -6,-0.3 3,-0.5 0.827 63.7 66.2 -84.3 -24.7 37.6 1.5 33.7 116 422 A V H X S+ 0 0 20 -4,-0.6 4,-2.9 -7,-0.3 -1,-0.2 0.866 95.6 60.4 -65.8 -28.6 36.5 3.2 37.0 117 423 A E H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.906 108.8 42.8 -58.2 -43.6 37.0 6.6 35.4 118 424 A I H X S+ 0 0 16 -4,-0.6 4,-2.4 -3,-0.5 5,-0.2 0.929 112.1 53.3 -69.2 -46.4 34.4 5.6 32.8 119 425 A F H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.929 106.5 53.9 -52.4 -48.7 32.0 4.1 35.3 120 426 A D H X S+ 0 0 56 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.878 109.2 47.4 -61.6 -35.9 32.1 7.3 37.4 121 427 A M H X S+ 0 0 44 -4,-1.3 4,-1.9 -3,-0.2 -1,-0.2 0.926 112.8 48.4 -70.4 -41.7 31.1 9.4 34.4 122 428 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.921 111.5 51.1 -60.0 -44.8 28.2 7.0 33.5 123 429 A L H X S+ 0 0 26 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.920 109.2 50.0 -61.5 -43.0 27.0 7.0 37.1 124 430 A A H X S+ 0 0 61 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.862 109.8 50.8 -61.2 -39.3 27.0 10.8 37.2 125 431 A T H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 109.2 51.5 -67.1 -41.8 25.0 11.0 34.0 126 432 A S H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.915 109.1 50.9 -58.6 -43.9 22.5 8.5 35.5 127 433 A S H X S+ 0 0 56 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.936 108.8 51.4 -61.9 -41.0 22.2 10.7 38.6 128 434 A R H X S+ 0 0 95 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.921 108.4 51.1 -63.7 -41.7 21.6 13.7 36.4 129 435 A F H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.6 0.918 111.7 47.8 -58.4 -44.5 18.8 11.9 34.5 130 436 A R H ><5S+ 0 0 90 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.908 111.3 50.6 -62.1 -39.7 17.2 11.0 37.8 131 437 A M H 3<5S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.889 112.7 46.0 -70.5 -33.4 17.5 14.5 39.1 132 438 A M H 3<5S- 0 0 13 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.544 106.7-130.2 -79.4 -8.8 15.9 15.8 36.0 133 439 A N T <<5 - 0 0 108 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.870 31.1-156.8 55.7 43.3 13.2 13.2 36.2 134 440 A L < - 0 0 6 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.1 -0.248 6.0-137.3 -54.7 138.6 13.9 12.3 32.5 135 441 A Q > - 0 0 83 -3,-0.1 4,-2.7 1,-0.1 3,-0.4 -0.704 16.5-117.5-103.8 150.9 10.8 10.6 30.9 136 442 A G H > S+ 0 0 21 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.841 117.0 53.6 -55.2 -38.9 10.8 7.6 28.6 137 443 A E H > S+ 0 0 73 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.870 110.6 45.5 -64.9 -39.1 9.3 9.8 25.8 138 444 A E H > S+ 0 0 13 -3,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.905 108.9 57.7 -67.1 -45.1 12.2 12.4 26.2 139 445 A F H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.898 104.1 49.6 -53.5 -45.8 14.8 9.6 26.3 140 446 A V H X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.891 110.2 52.2 -72.9 -29.5 13.8 8.1 22.9 141 447 A C H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.959 110.2 48.2 -61.7 -49.9 13.9 11.6 21.4 142 448 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.901 109.6 52.1 -56.9 -41.8 17.4 12.1 22.7 143 449 A K H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 110.0 48.8 -67.6 -38.4 18.7 8.7 21.5 144 450 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.890 108.6 53.4 -65.3 -36.7 17.4 9.5 18.0 145 451 A I H X S+ 0 0 11 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.938 106.6 53.2 -60.6 -44.4 19.1 12.9 18.0 146 452 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.956 108.9 50.4 -54.4 -51.5 22.4 11.2 18.9 147 453 A L H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.901 119.5 34.8 -52.7 -48.5 22.0 8.9 15.9 148 454 A L H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.799 123.5 41.7 -81.0 -30.8 21.3 11.7 13.5 149 455 A N H >< S+ 0 0 57 -4,-3.2 3,-1.1 -5,-0.2 4,-0.4 0.836 94.5 71.2 -87.2 -37.9 23.6 14.4 14.9 150 456 A S T 3< S+ 0 0 7 -4,-2.4 3,-0.2 -5,-0.4 -1,-0.1 0.829 111.8 25.8 -66.8 -29.0 26.9 12.8 15.9 151 457 A G T > S+ 0 0 0 -4,-0.4 3,-1.0 -5,-0.3 -1,-0.3 0.403 93.1 95.9-108.0 5.8 28.3 12.1 12.5 152 458 A V T < S+ 0 0 2 -3,-1.1 3,-0.3 1,-0.3 -1,-0.1 0.657 84.8 51.5 -74.8 -14.4 26.5 14.9 10.4 153 459 A Y T 3 S+ 0 0 185 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.496 107.1 54.3 -91.9 -14.4 29.4 17.3 10.6 154 460 A T < + 0 0 83 -3,-1.0 2,-0.2 -4,-0.1 -2,-0.2 0.224 63.0 129.8-111.1 18.8 32.0 14.8 9.5 155 461 A F - 0 0 16 -3,-0.3 -87,-0.0 -4,-0.2 -3,-0.0 -0.588 55.2-138.5 -67.4 139.4 30.8 13.4 6.1 156 462 A L S S+ 0 0 160 -2,-0.2 -1,-0.1 2,-0.0 0, 0.0 0.981 72.4 52.4 -49.5 -77.2 33.9 13.8 3.8 157 463 A S - 0 0 58 -3,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.467 55.2-155.3 -55.5 176.7 32.2 15.0 0.6 158 464 A S + 0 0 77 4,-0.0 -1,-0.1 5,-0.0 5,-0.1 -0.092 38.8 152.5-157.9 38.2 29.9 17.8 -0.4 159 465 A T > - 0 0 71 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.118 63.8-100.0 -57.6 170.2 28.4 16.3 -3.5 160 466 A L H > S+ 0 0 125 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.962 129.2 47.9 -58.1 -50.5 24.9 17.3 -4.5 161 467 A K H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 110.0 52.7 -54.9 -45.3 23.6 14.1 -2.9 162 468 A S H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 108.8 49.7 -60.4 -41.7 25.7 14.8 0.2 163 469 A L H X S+ 0 0 90 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.923 110.7 49.7 -65.3 -42.9 24.2 18.3 0.5 164 470 A E H X S+ 0 0 114 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.905 109.6 52.3 -59.5 -42.6 20.7 16.8 0.1 165 471 A E H X S+ 0 0 18 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.953 108.8 48.4 -58.5 -50.2 21.4 14.2 2.8 166 472 A K H X S+ 0 0 60 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.915 110.8 52.8 -59.4 -41.5 22.6 16.8 5.3 167 473 A D H X S+ 0 0 80 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.937 109.1 48.1 -58.3 -46.9 19.5 18.9 4.6 168 474 A H H X S+ 0 0 24 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 111.0 51.1 -60.7 -44.7 17.2 16.0 5.3 169 475 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.927 110.0 48.5 -58.6 -44.9 19.0 15.1 8.5 170 476 A H H X S+ 0 0 65 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.910 111.2 52.8 -66.6 -34.3 18.7 18.7 9.8 171 477 A R H X S+ 0 0 97 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.923 109.8 46.5 -64.7 -42.9 15.1 18.6 8.8 172 478 A V H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.941 110.2 53.1 -67.5 -39.6 14.5 15.4 10.8 173 479 A L H X S+ 0 0 16 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.896 105.5 56.0 -58.7 -38.5 16.4 16.8 13.8 174 480 A D H X S+ 0 0 102 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.888 106.4 49.6 -60.5 -41.5 14.1 19.9 13.6 175 481 A K H X S+ 0 0 35 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.896 108.8 51.3 -68.2 -36.2 11.0 17.6 13.9 176 482 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.913 108.7 52.8 -66.6 -36.6 12.5 15.8 16.9 177 483 A T H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.979 108.7 49.3 -60.2 -51.1 13.0 19.2 18.4 178 484 A D H X S+ 0 0 100 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.826 110.2 52.9 -52.5 -35.5 9.4 20.0 17.8 179 485 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.916 106.4 50.3 -68.5 -45.0 8.4 16.7 19.4 180 486 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 112.5 46.9 -59.8 -44.0 10.4 17.3 22.6 181 487 A I H X S+ 0 0 48 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.921 111.4 52.4 -67.2 -35.5 8.8 20.7 23.1 182 488 A H H X S+ 0 0 61 -4,-1.7 4,-2.9 -5,-0.3 -2,-0.2 0.923 108.9 50.0 -63.0 -44.9 5.4 19.2 22.3 183 489 A L H X S+ 0 0 14 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.923 112.7 47.1 -56.2 -45.8 6.0 16.6 25.0 184 490 A M H <>S+ 0 0 2 -4,-2.2 5,-1.9 -5,-0.2 -2,-0.2 0.905 112.0 48.5 -72.2 -36.1 7.0 19.2 27.5 185 491 A A H ><5S+ 0 0 47 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 0.939 107.5 54.9 -67.9 -44.2 4.0 21.5 26.7 186 492 A K H 3<5S+ 0 0 134 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.5 57.0 -56.2 -26.9 1.6 18.6 27.0 187 493 A A T 3<5S- 0 0 75 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.487 120.0-113.7 -82.1 -6.6 3.2 18.1 30.5 188 494 A G T < 5 + 0 0 60 -3,-2.3 -3,-0.2 1,-0.2 2,-0.1 0.683 61.6 151.5 81.5 18.3 2.2 21.6 31.4 189 495 A L < - 0 0 53 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.0 -0.466 51.0-106.9 -67.5 148.6 5.7 23.2 31.7 190 496 A T > - 0 0 74 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.335 30.9-100.1 -69.6 167.2 5.5 26.9 30.9 191 497 A L H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.912 126.9 50.1 -50.1 -48.7 7.0 28.3 27.7 192 498 A Q H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 110.1 48.1 -60.7 -43.4 10.0 29.3 29.7 193 499 A Q H > S+ 0 0 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-4,-2.5 4,-1.1 1,-0.2 3,-1.0 0.858 98.2 61.5 -70.5 -29.8 23.6 19.8 26.9 204 510 A I H 3X S+ 0 0 8 -4,-1.4 4,-2.0 -5,-0.3 3,-0.3 0.877 94.0 65.7 -59.3 -31.1 23.7 16.4 28.5 205 511 A L H < S+ 0 0 34 -4,-3.5 2,-2.5 1,-0.3 3,-1.9 0.891 93.8 75.0 -58.1 -36.4 38.8 0.5 24.6 220 526 A Y T 3< S+ 0 0 145 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.145 95.1 48.5 -77.2 53.8 41.7 1.0 22.2 221 527 A S T 3 S+ 0 0 83 -2,-2.5 -1,-0.2 -3,-0.4 -2,-0.2 0.275 103.4 68.1-154.3 -12.5 44.2 -0.6 24.6 222 528 A M S < S- 0 0 58 -3,-1.9 3,-0.1 -4,-0.4 -3,-0.0 -0.254 86.8-111.6 -99.1-172.8 42.2 -3.8 25.5 223 529 A K + 0 0 138 1,-0.1 3,-0.2 -2,-0.1 -4,-0.0 0.855 69.3 125.8 -89.6 -37.7 41.3 -6.8 23.4 224 530 A C S S- 0 0 31 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.228 84.4 -52.4 4.1 -68.3 37.4 -6.2 23.2 225 531 A K + 0 0 97 -6,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.546 63.6 147.4 172.7 124.6 37.3 -6.3 19.4 226 532 A N + 0 0 110 -3,-0.2 2,-0.2 -2,-0.2 -2,-0.1 0.142 39.5 126.3-145.7 11.5 39.0 -4.7 16.4 227 533 A V S S+ 0 0 111 2,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.570 72.5 9.7 -76.3 142.6 39.0 -7.4 13.8 228 534 A V S S- 0 0 87 -2,-0.2 5,-0.1 4,-0.0 0, 0.0 0.705 106.6 -78.8 53.1 131.2 37.5 -6.4 10.4 229 535 A P > - 0 0 71 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.274 33.8-127.0 -62.3 141.7 36.8 -2.7 10.2 230 536 A L H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.874 108.0 58.8 -55.9 -39.3 33.7 -1.4 11.9 231 537 A Y H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.957 107.1 45.9 -57.3 -50.7 32.5 0.2 8.7 232 538 A D H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 113.0 49.8 -56.5 -40.9 32.5 -3.0 6.8 233 539 A L H X S+ 0 0 60 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.908 113.7 46.0 -69.7 -38.0 30.7 -4.9 9.6 234 540 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.897 108.9 55.6 -65.0 -41.7 28.1 -2.2 9.8 235 541 A L H X S+ 0 0 54 -4,-2.9 4,-3.8 -5,-0.3 -2,-0.2 0.950 107.4 49.8 -60.0 -43.8 27.7 -2.1 6.0 236 542 A E H < S+ 0 0 151 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.923 113.1 45.2 -58.3 -49.2 26.9 -5.8 6.0 237 543 A M H < S+ 0 0 51 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 120.8 39.9 -62.2 -43.7 24.3 -5.6 8.8 238 544 A L H < S+ 0 0 9 -4,-2.9 2,-2.4 1,-0.2 -2,-0.2 0.847 100.1 74.4 -77.1 -39.2 22.7 -2.5 7.1 239 545 A D S < S+ 0 0 103 -4,-3.8 -1,-0.2 -5,-0.3 2,-0.1 -0.392 73.0 166.6 -76.7 66.2 23.0 -3.8 3.5 240 546 A A - 0 0 58 -2,-2.4 2,-0.1 -3,-0.1 -3,-0.1 -0.410 33.0-131.4 -83.9 152.0 20.2 -6.3 3.8 241 547 A H - 0 0 108 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.405 16.6-127.3 -83.1-176.1 18.5 -8.0 1.0 242 548 A R S > S+ 0 0 225 -2,-0.1 3,-0.9 1,-0.1 -1,-0.1 -0.004 77.5 108.3-117.9 30.0 14.7 -8.1 0.9 243 549 A L T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.824 71.6 57.2 -79.1 -33.3 14.4 -11.9 0.5 244 550 A H T 3 0 0 173 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.115 360.0 360.0 -87.3 33.1 13.1 -12.7 4.0 245 551 A A < 0 0 125 -3,-0.9 -1,-0.2 0, 0.0 -2,-0.1 0.978 360.0 360.0 -70.3 360.0 10.3 -10.3 3.1