==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 07-SEP-05 2AYR . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.W.HUMMEL,A.G.GEISER,H.U.BRYANT,I.R.COHEN,R.D.DALLY, . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 73.6 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 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 56.9 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 0 0 0 0 0 1 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 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 1 306 A L >> 0 0 159 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 150.3 7.3 10.5 5.2 2 307 A A G >4 + 0 0 8 1,-0.2 3,-0.7 2,-0.2 8,-0.0 0.853 360.0 57.5 -69.1 -35.5 9.1 11.3 8.4 3 308 A L G 34 S+ 0 0 70 1,-0.2 -1,-0.2 58,-0.0 0, 0.0 0.587 104.1 54.5 -74.1 -8.3 8.8 15.1 7.8 4 309 A S G <4 S+ 0 0 82 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.648 84.1 109.6 -96.0 -19.5 5.1 14.7 7.6 5 310 A L << - 0 0 36 -3,-0.7 2,-0.2 -4,-0.6 -3,-0.0 -0.176 65.1-128.9 -58.7 147.2 4.7 13.0 11.0 6 311 A T > - 0 0 69 1,-0.1 4,-2.8 174,-0.0 5,-0.2 -0.484 31.3 -98.6 -87.3 167.9 3.1 14.9 13.9 7 312 A A H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 125.6 46.0 -52.5 -49.4 4.7 15.1 17.3 8 313 A D H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.821 112.4 51.6 -67.7 -30.0 2.5 12.3 18.8 9 314 A Q H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 109.1 50.4 -71.1 -40.5 3.2 10.2 15.7 10 315 A M H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.944 111.5 48.2 -59.9 -48.7 7.0 10.7 16.1 11 316 A V H X S+ 0 0 11 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.921 112.9 46.9 -59.3 -48.2 6.8 9.7 19.7 12 317 A S H X S+ 0 0 65 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 111.8 52.2 -61.5 -40.6 4.8 6.5 19.0 13 318 A A H X S+ 0 0 29 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.919 113.9 42.9 -60.5 -44.3 7.2 5.7 16.1 14 319 A L H X S+ 0 0 1 -4,-2.5 4,-0.5 2,-0.2 3,-0.3 0.924 113.7 49.7 -71.7 -43.8 10.2 6.1 18.4 15 320 A L H >< S+ 0 0 63 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.907 111.9 49.5 -60.2 -41.2 8.7 4.2 21.4 16 321 A D H 3< S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.771 106.0 57.5 -68.6 -26.7 7.6 1.3 19.1 17 322 A A H 3< S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.559 77.6 129.2 -81.1 -7.7 11.2 1.2 17.6 18 323 A E << - 0 0 64 -3,-1.0 -3,-0.0 -4,-0.5 34,-0.0 -0.193 56.2-128.3 -57.9 134.0 12.8 0.6 21.0 19 324 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.275 28.5 -96.0 -73.9 165.1 15.1 -2.4 21.2 20 325 A P - 0 0 71 0, 0.0 2,-0.6 0, 0.0 31,-0.1 -0.348 33.2-108.4 -76.4 161.9 14.9 -5.2 23.8 21 326 A I - 0 0 105 -2,-0.1 2,-0.1 79,-0.0 79,-0.1 -0.844 40.6-151.1 -89.9 119.2 16.9 -5.3 27.0 22 327 A L - 0 0 30 -2,-0.6 2,-0.3 77,-0.2 22,-0.0 -0.475 4.8-125.6 -93.1 161.7 19.5 -8.1 26.7 23 328 A Y - 0 0 136 77,-0.2 2,-0.1 -2,-0.1 77,-0.1 -0.781 26.8-105.5-103.9 149.0 21.1 -10.3 29.3 24 329 A S - 0 0 8 -2,-0.3 2,-0.9 1,-0.1 17,-0.1 -0.431 35.4-123.3 -64.1 146.5 24.7 -10.9 30.0 25 330 A E + 0 0 123 15,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.791 62.3 110.9-102.4 94.6 25.9 -14.3 28.8 26 331 A Y S S- 0 0 69 -2,-0.9 6,-0.0 9,-0.0 -2,-0.0 -0.983 73.6 -91.2-159.0 154.8 27.5 -16.2 31.7 27 332 A D > - 0 0 73 -2,-0.3 3,-1.2 1,-0.2 -2,-0.1 -0.561 29.0-157.9 -73.0 113.3 26.7 -19.2 33.8 28 333 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.684 88.5 62.4 -63.6 -17.3 24.8 -18.0 36.9 29 334 A T T 3 S+ 0 0 118 2,-0.1 -2,-0.1 3,-0.0 3,-0.0 0.010 92.6 77.8-102.0 27.6 25.8 -21.1 38.8 30 335 A R S < S- 0 0 105 -3,-1.2 5,-0.1 1,-0.0 4,-0.0 -0.949 94.5 -75.8-134.8 157.0 29.6 -20.4 38.7 31 336 A P >> - 0 0 78 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.217 36.2-149.5 -52.1 128.4 32.0 -18.1 40.6 32 337 A F G >4 S+ 0 0 80 1,-0.2 3,-2.0 2,-0.2 -5,-0.0 0.950 92.4 64.5 -68.3 -50.5 31.7 -14.6 39.4 33 338 A S G 34 S+ 0 0 116 1,-0.3 -1,-0.2 3,-0.0 4,-0.1 0.572 96.4 66.1 -52.3 -8.4 35.3 -13.5 40.0 34 339 A E G <4 S+ 0 0 118 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.886 84.8 81.1 -77.2 -43.6 36.0 -16.2 37.3 35 340 A A S << S- 0 0 30 -3,-2.0 2,-0.6 -4,-0.6 3,-0.1 -0.326 87.7-112.3 -70.8 145.9 34.3 -14.4 34.4 36 341 A S > - 0 0 76 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.682 18.8-152.7 -79.2 118.9 36.1 -11.6 32.5 37 342 A M H > S+ 0 0 16 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.934 98.9 43.0 -57.1 -48.5 34.4 -8.3 33.2 38 343 A M H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.832 112.1 55.9 -69.5 -31.4 35.5 -6.8 29.9 39 344 A G H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 108.5 47.0 -63.3 -43.2 34.7 -10.1 28.2 40 345 A L H X S+ 0 0 12 -4,-2.7 4,-1.9 2,-0.2 -15,-0.3 0.909 114.8 45.4 -66.2 -43.0 31.1 -9.9 29.6 41 346 A L H X S+ 0 0 21 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.884 111.7 52.0 -69.6 -39.2 30.6 -6.3 28.5 42 347 A T H X S+ 0 0 51 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 110.5 48.2 -61.4 -44.9 32.1 -6.8 25.1 43 348 A N H X S+ 0 0 57 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.893 113.0 48.4 -63.8 -40.7 29.8 -9.8 24.4 44 349 A L H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.958 111.7 49.2 -62.9 -50.5 26.8 -7.8 25.5 45 350 A A H X S+ 0 0 25 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.897 109.4 52.1 -57.1 -44.7 27.8 -4.8 23.4 46 351 A D H X S+ 0 0 84 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.872 111.9 45.6 -62.1 -38.2 28.3 -6.9 20.3 47 352 A R H X S+ 0 0 65 -4,-1.7 4,-1.0 -3,-0.2 3,-0.4 0.871 110.8 53.2 -72.9 -36.3 24.9 -8.5 20.7 48 353 A E H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.837 97.8 66.3 -64.6 -32.8 23.2 -5.2 21.3 49 354 A L H X S+ 0 0 15 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.881 96.0 55.7 -59.3 -37.6 24.7 -3.7 18.1 50 355 A V H X S+ 0 0 74 -4,-0.8 4,-1.2 -3,-0.4 -1,-0.2 0.924 111.2 43.3 -62.1 -43.0 22.6 -6.1 16.0 51 356 A H H X S+ 0 0 64 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.772 106.1 63.0 -73.5 -25.8 19.4 -4.8 17.6 52 357 A M H X S+ 0 0 9 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.907 100.4 53.3 -65.4 -39.5 20.7 -1.2 17.4 53 358 A I H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.910 108.2 48.7 -62.3 -42.2 20.7 -1.5 13.6 54 359 A N H X S+ 0 0 96 -4,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.898 113.1 49.6 -60.9 -41.3 17.0 -2.7 13.6 55 360 A W H >X S+ 0 0 6 -4,-2.1 3,-1.7 1,-0.2 4,-0.5 0.956 108.4 51.2 -61.6 -51.3 16.2 0.2 15.8 56 361 A A H >< S+ 0 0 0 -4,-3.2 3,-1.7 1,-0.3 6,-0.2 0.901 104.7 58.0 -54.9 -42.3 18.0 2.8 13.6 57 362 A K H 3< S+ 0 0 67 -4,-2.2 6,-0.3 1,-0.3 -1,-0.3 0.724 106.4 50.2 -60.5 -21.7 16.1 1.5 10.6 58 363 A R H << S+ 0 0 146 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.415 81.5 106.1-100.4 0.1 12.9 2.3 12.4 59 364 A V S X< S- 0 0 3 -3,-1.7 3,-2.5 -4,-0.5 4,-0.4 -0.716 87.8-103.8 -76.8 118.5 13.9 5.9 13.3 60 365 A P T 3 S+ 0 0 17 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.145 102.6 13.3 -49.7 127.8 11.8 8.1 11.0 61 366 A G T > S+ 0 0 4 -4,-0.1 3,-0.8 4,-0.0 4,-0.4 0.085 97.3 103.0 97.8 -22.4 14.0 9.4 8.2 62 367 A F G X S+ 0 0 0 -3,-2.5 3,-1.6 1,-0.3 -5,-0.1 0.923 80.0 47.0 -65.5 -47.1 17.0 7.1 8.7 63 368 A V G 3 S+ 0 0 73 -4,-0.4 -1,-0.3 -6,-0.3 -6,-0.1 0.558 97.3 73.6 -75.1 -5.6 16.4 4.7 5.8 64 369 A D G < S+ 0 0 83 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.663 86.5 84.8 -74.7 -16.1 15.8 7.6 3.5 65 370 A L S < S- 0 0 8 -3,-1.6 -4,-0.0 -4,-0.4 101,-0.0 -0.365 94.9 -89.0 -80.2 162.0 19.5 8.2 3.7 66 371 A T > - 0 0 35 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.329 35.4-115.3 -62.9 153.7 22.1 6.4 1.5 67 372 A L H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 118.1 53.4 -54.6 -47.6 23.6 3.2 2.8 68 373 A H H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 110.6 45.7 -56.5 -43.5 27.0 4.8 3.1 69 374 A D H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 109.5 54.6 -70.0 -37.2 25.5 7.7 5.2 70 375 A Q H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.933 110.3 47.5 -59.2 -46.1 23.6 5.3 7.4 71 376 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.911 110.1 52.3 -60.4 -44.2 26.8 3.4 8.1 72 377 A H H X S+ 0 0 28 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.914 109.0 49.9 -62.2 -42.5 28.7 6.7 8.8 73 378 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.912 114.9 42.9 -62.1 -43.2 26.0 7.8 11.3 74 379 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.897 109.7 56.8 -72.2 -38.2 26.1 4.5 13.2 75 380 A E H < S+ 0 0 69 -4,-3.0 4,-0.2 1,-0.2 -1,-0.2 0.861 114.4 39.8 -60.8 -33.0 29.9 4.2 13.2 76 381 A S H < S+ 0 0 31 -4,-1.6 4,-0.2 -5,-0.2 -1,-0.2 0.854 125.2 35.2 -84.5 -30.4 30.1 7.6 14.9 77 382 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 3,-0.3 0.571 83.0 98.8-101.0 -11.4 27.2 7.1 17.3 78 383 A W H X S+ 0 0 47 -4,-2.3 4,-2.2 1,-0.3 5,-0.1 0.838 88.1 43.6 -56.9 -40.3 27.1 3.5 18.4 79 384 A L H > S+ 0 0 17 -4,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.880 112.6 51.8 -74.7 -35.2 28.9 3.9 21.7 80 385 A E H > S+ 0 0 3 -3,-0.3 4,-2.8 -4,-0.2 5,-0.2 0.883 110.9 50.5 -61.2 -38.0 27.0 7.0 22.7 81 386 A I H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 110.2 47.8 -69.3 -45.4 23.8 5.1 21.9 82 387 A L H X S+ 0 0 21 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.912 114.8 49.0 -55.4 -43.4 24.9 2.1 24.1 83 388 A M H X S+ 0 0 14 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.917 109.2 47.7 -69.4 -44.7 25.8 4.5 26.8 84 389 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.919 111.9 52.6 -66.1 -36.6 22.6 6.6 26.9 85 390 A G H X S+ 0 0 11 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.932 110.6 47.7 -57.9 -46.2 20.6 3.3 26.9 86 391 A L H X S+ 0 0 7 -4,-2.2 4,-1.4 2,-0.2 12,-0.4 0.930 111.2 49.9 -59.2 -48.2 22.7 2.1 29.9 87 392 A V H < S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 3,-0.2 0.909 109.0 53.7 -60.3 -41.8 22.2 5.4 31.8 88 393 A W H >< S+ 0 0 78 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.934 112.0 42.1 -58.4 -48.9 18.5 5.2 31.1 89 394 A R H 3< S+ 0 0 42 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.664 113.0 54.8 -79.3 -9.9 18.0 1.8 32.6 90 395 A S T >< S+ 0 0 0 -4,-1.4 3,-2.2 -3,-0.2 6,-0.3 0.461 78.6 100.4 -90.3 -3.3 20.4 2.6 35.5 91 396 A M T < S+ 0 0 18 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.840 84.2 43.2 -57.3 -38.8 18.3 5.6 36.5 92 397 A E T 3 S+ 0 0 168 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.054 101.8 74.2 -98.7 30.8 16.5 3.9 39.4 93 398 A H S X S- 0 0 66 -3,-2.2 3,-2.6 3,-0.2 -1,-0.2 -0.497 75.4-158.6-136.7 66.9 19.6 2.2 40.6 94 399 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.128 77.9 14.2 -49.2 134.5 21.6 4.9 42.3 95 400 A G T 3 S+ 0 0 46 1,-0.2 12,-0.7 29,-0.2 2,-0.3 0.402 116.9 85.2 82.4 -4.8 25.3 4.1 42.6 96 401 A K E < -A 106 0A 98 -3,-2.6 2,-0.6 -6,-0.3 10,-0.2 -0.938 66.6-137.8-133.9 154.9 25.0 1.2 40.1 97 402 A L E -A 105 0A 1 8,-3.2 8,-2.2 -2,-0.3 2,-1.6 -0.945 12.1-150.3-113.2 119.1 25.1 0.6 36.4 98 403 A L E +A 104 0A 23 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.587 28.8 162.2 -87.9 76.7 22.5 -1.8 35.0 99 404 A F E S- 0 0 26 -2,-1.6 -1,-0.2 4,-1.1 5,-0.2 0.889 78.8 -10.4 -60.8 -36.5 24.5 -3.1 32.0 100 405 A A E > S-A 103 0A 0 3,-1.4 3,-2.6 -3,-0.3 -1,-0.3 -0.975 77.0-102.4-156.1 158.7 21.9 -6.0 32.1 101 406 A P T 3 S+ 0 0 59 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.808 127.3 40.4 -58.1 -25.1 19.2 -7.2 34.5 102 407 A N T 3 S+ 0 0 44 1,-0.2 2,-0.1 -4,-0.0 -79,-0.1 0.134 112.6 59.9-106.7 18.1 21.6 -9.9 35.6 103 408 A L E < +A 100 0A 6 -3,-2.6 -3,-1.4 2,-0.0 -4,-1.1 -0.597 58.7 160.5-147.0 79.2 24.7 -7.7 35.6 104 409 A L E -A 98 0A 62 -6,-0.2 2,-0.3 -3,-0.2 -6,-0.2 -0.922 20.1-173.0-102.1 117.7 24.3 -4.7 38.0 105 410 A L E -A 97 0A 3 -8,-2.2 -8,-3.2 -2,-0.6 2,-0.2 -0.865 12.4-149.4-119.3 145.1 27.7 -3.3 38.8 106 411 A D E > -A 96 0A 51 -2,-0.3 3,-1.6 -10,-0.2 -10,-0.2 -0.541 40.1 -87.5-103.6 176.3 28.9 -0.6 41.2 107 412 A R G > S+ 0 0 100 -12,-0.7 3,-1.5 1,-0.3 4,-0.2 0.875 122.4 53.6 -46.0 -51.3 31.8 1.8 41.0 108 413 A N G > S+ 0 0 93 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.674 95.0 70.0 -68.6 -16.8 34.4 -0.5 42.6 109 414 A Q G < S+ 0 0 64 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.256 89.0 64.0 -86.7 13.6 33.7 -3.3 40.1 110 415 A G G X S+ 0 0 0 -3,-1.5 3,-1.3 1,-0.1 7,-0.5 0.411 75.4 87.9-106.9 -2.3 35.3 -1.3 37.3 111 416 A K T < + 0 0 127 -3,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.682 68.1 80.0 -74.7 -14.8 38.7 -1.3 38.7 112 417 A S T 3 S+ 0 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25 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.910 112.9 48.4 -70.6 -39.7 30.9 9.6 34.4 123 428 A L H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.924 111.4 50.1 -64.5 -43.9 28.1 7.2 33.5 124 429 A L H X S+ 0 0 23 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.891 109.2 52.3 -60.1 -40.5 26.9 7.2 37.1 125 430 A A H X S+ 0 0 54 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.861 108.6 50.2 -64.7 -35.8 26.9 11.0 37.1 126 431 A T H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.907 109.7 50.5 -69.3 -41.2 24.9 11.1 33.9 127 432 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.923 109.7 51.3 -62.2 -42.4 22.3 8.7 35.4 128 433 A S H X S+ 0 0 50 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.901 108.5 52.1 -58.5 -41.6 22.1 10.9 38.5 129 434 A R H X S+ 0 0 88 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.931 110.6 46.9 -62.7 -46.0 21.5 13.9 36.3 130 435 A F H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.7 0.905 113.0 48.8 -61.0 -43.2 18.7 12.2 34.5 131 436 A R H ><5S+ 0 0 90 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.918 111.6 51.2 -61.3 -42.7 17.1 11.1 37.8 132 437 A M H 3<5S+ 0 0 147 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4,-2.4 2,-0.2 -2,-0.2 0.930 109.8 49.5 -64.8 -44.8 14.0 11.6 21.3 143 448 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.886 108.9 51.3 -62.7 -40.5 17.4 12.1 22.7 144 449 A K H X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.891 111.5 48.2 -66.3 -38.1 18.7 8.7 21.5 145 450 A S H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.880 108.1 54.1 -68.4 -37.8 17.4 9.5 18.0 146 451 A I H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.921 107.7 52.0 -60.5 -42.1 19.0 13.0 18.1 147 452 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.928 108.4 50.2 -59.0 -46.4 22.3 11.3 18.9 148 453 A L H < S+ 0 0 0 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.900 118.7 37.7 -58.1 -41.7 22.0 8.9 16.0 149 454 A L H < S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.759 123.3 38.4 -86.5 -26.1 21.3 11.7 13.5 150 455 A N H >X S+ 0 0 36 -4,-2.5 3,-1.2 -5,-0.2 4,-0.5 0.804 95.7 73.6 -95.1 -33.3 23.7 14.4 14.9 151 456 A S T 3< S+ 0 0 4 -4,-2.2 3,-0.2 -5,-0.3 -3,-0.1 0.843 111.1 26.2 -62.0 -37.8 26.9 12.7 16.0 152 457 A G T >4 S+ 0 0 0 -4,-0.4 3,-0.9 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107.0 50.6 -60.9 -42.8 23.6 14.2 -2.9 163 468 A S H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.871 109.0 51.8 -64.1 -37.6 25.6 14.9 0.3 164 469 A L H X S+ 0 0 89 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.915 111.4 47.2 -64.3 -41.6 24.1 18.4 0.5 165 470 A E H X S+ 0 0 111 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.855 111.1 52.7 -67.6 -34.9 20.6 16.9 0.2 166 471 A E H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.949 110.4 46.3 -65.0 -48.6 21.5 14.2 2.8 167 472 A K H X S+ 0 0 46 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.902 111.0 52.7 -61.7 -41.1 22.6 16.8 5.3 168 473 A D H X S+ 0 0 80 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.922 109.5 49.4 -61.8 -42.8 19.5 18.9 4.7 169 474 A H H X S+ 0 0 34 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 109.8 50.7 -60.3 -48.0 17.3 15.9 5.3 170 475 A I H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.915 111.2 48.4 -56.7 -44.0 19.1 15.1 8.5 171 476 A H H X S+ 0 0 73 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.859 110.0 51.8 -69.4 -33.6 18.7 18.6 9.8 172 477 A R H X S+ 0 0 130 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.893 111.2 47.4 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