==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEAR PROTEIN 11-APR-03 1UOM . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.STARK,S.F.BISCHOFF,T.BUHL,B.FOURNIER,C.HALLEUX,J.KALLEN, . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 76.6 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 2.6 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 . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 1 0 0 1 1 0 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 61 0, 0.0 3,-1.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 -81.8 20.8 39.2 7.6 2 308 A L T 3 + 0 0 75 1,-0.2 0, 0.0 58,-0.0 0, 0.0 0.405 360.0 57.0 -78.3 3.8 20.6 35.4 7.7 3 309 A S T 3 S+ 0 0 110 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.480 78.6 125.0-108.4 -10.9 24.4 35.4 7.9 4 310 A L < - 0 0 38 -3,-1.0 2,-0.2 1,-0.1 3,-0.0 -0.146 61.0-122.7 -51.3 143.2 24.5 37.6 11.0 5 311 A T > - 0 0 74 1,-0.1 4,-2.2 174,-0.0 3,-0.3 -0.497 22.3-109.7 -86.4 158.5 26.5 36.1 13.9 6 312 A A H >> S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.970 121.3 43.9 -51.1 -60.5 24.9 35.6 17.3 7 313 A D H 3> S+ 0 0 76 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.755 113.2 53.9 -57.8 -25.0 26.9 38.4 19.0 8 314 A Q H 3> S+ 0 0 99 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.800 104.3 53.8 -79.5 -30.5 26.1 40.6 15.9 9 315 A M H < S+ 0 0 73 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.866 110.2 49.8 -59.6 -36.9 20.6 46.4 21.4 15 321 A D H 3< S+ 0 0 111 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 105.4 57.6 -72.1 -28.6 21.6 49.3 19.1 16 322 A A H 3< S+ 0 0 4 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.586 77.6 132.5 -77.9 -12.3 18.0 49.4 17.6 17 323 A E << - 0 0 66 -4,-0.7 -3,-0.1 -3,-0.6 34,-0.0 -0.081 56.2-125.2 -45.7 130.8 16.5 50.0 21.1 18 324 A P - 0 0 38 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.180 30.1 -96.8 -71.5 170.1 13.9 52.8 21.2 19 325 A P - 0 0 75 0, 0.0 2,-1.0 0, 0.0 31,-0.1 -0.486 33.4-110.4 -86.6 163.4 14.2 55.7 23.6 20 326 A I - 0 0 106 -2,-0.1 79,-0.0 79,-0.0 27,-0.0 -0.806 41.1-152.4 -96.9 99.3 12.3 55.8 26.9 21 327 A L - 0 0 30 -2,-1.0 2,-0.3 77,-0.1 22,-0.0 -0.169 4.2-127.1 -69.5 162.6 9.7 58.5 26.5 22 328 A Y - 0 0 140 77,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.751 25.1-105.3-108.3 155.1 8.2 60.7 29.2 23 329 A S - 0 0 7 -2,-0.3 2,-2.0 1,-0.1 17,-0.1 -0.642 26.4-129.9 -79.7 134.7 4.5 61.3 29.9 24 330 A E + 0 0 149 -2,-0.3 2,-0.4 15,-0.2 -1,-0.1 -0.489 59.5 140.1 -84.8 70.0 3.4 64.7 28.8 25 331 A Y - 0 0 46 -2,-2.0 -2,-0.1 76,-0.0 6,-0.0 -0.931 59.7-117.1-117.9 136.3 1.7 65.4 32.1 26 332 A D > - 0 0 81 -2,-0.4 3,-1.9 1,-0.2 -2,-0.1 -0.611 22.0-158.0 -73.9 105.7 1.8 68.7 34.0 27 333 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.689 88.6 55.0 -57.9 -21.6 3.6 67.9 37.3 28 334 A T T 3 S+ 0 0 124 2,-0.1 -2,-0.1 3,-0.0 3,-0.0 0.407 92.1 88.3 -94.7 2.4 2.1 70.9 39.1 29 335 A R S < S- 0 0 104 -3,-1.9 4,-0.1 1,-0.1 5,-0.1 -0.817 92.2 -93.5-104.7 141.4 -1.5 69.9 38.4 30 336 A P > - 0 0 73 0, 0.0 3,-0.8 0, 0.0 -4,-0.1 -0.246 28.6-149.0 -51.7 127.2 -3.6 67.6 40.6 31 337 A F G > S+ 0 0 68 1,-0.2 3,-2.3 2,-0.2 4,-0.3 0.789 85.4 80.1 -70.6 -30.2 -3.3 64.0 39.4 32 338 A S G 3 S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.1 4,-0.0 0.381 105.4 34.8 -61.1 8.9 -6.8 63.0 40.5 33 339 A E G < S+ 0 0 119 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.095 82.2 106.6-150.7 24.3 -8.1 64.7 37.3 34 340 A A S < S- 0 0 10 -3,-2.3 -2,-0.1 -5,-0.1 5,-0.1 0.555 86.2-115.6 -85.5 -8.2 -5.4 64.1 34.8 35 341 A S > - 0 0 80 -4,-0.3 4,-2.1 3,-0.1 5,-0.1 0.958 21.8-148.0 68.1 86.8 -7.4 61.5 32.8 36 342 A M H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.879 95.6 47.6 -51.1 -48.6 -5.5 58.2 33.2 37 343 A M H > S+ 0 0 51 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.937 109.3 54.9 -62.2 -45.9 -6.5 56.9 29.8 38 344 A G H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 108.7 48.2 -54.2 -44.4 -5.6 60.1 28.1 39 345 A L H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -15,-0.2 0.969 115.0 43.6 -62.1 -54.0 -2.1 60.0 29.6 40 346 A L H X S+ 0 0 24 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.916 113.5 53.1 -57.6 -44.5 -1.5 56.4 28.5 41 347 A T H X S+ 0 0 50 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.940 110.2 44.7 -57.3 -53.0 -3.0 57.0 25.1 42 348 A N H X S+ 0 0 87 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.873 113.8 52.6 -61.4 -36.2 -0.8 60.0 24.2 43 349 A L H >X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.2 3,-0.5 0.956 110.6 45.0 -63.9 -51.1 2.2 58.2 25.5 44 350 A A H 3X S+ 0 0 19 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.899 107.5 58.3 -61.4 -42.3 1.6 55.1 23.4 45 351 A D H 3X S+ 0 0 95 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.823 109.4 45.9 -58.7 -30.5 0.9 57.1 20.3 46 352 A R H < S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.950 110.7 49.3 -62.5 -50.5 13.1 50.3 15.8 55 361 A A H >< S+ 0 0 0 -4,-3.4 3,-2.0 1,-0.3 -2,-0.2 0.907 105.0 58.5 -55.9 -43.7 11.3 47.7 13.6 56 362 A K H 3< S+ 0 0 63 -4,-3.0 6,-0.4 1,-0.3 -1,-0.3 0.743 106.2 51.8 -58.6 -22.2 13.1 49.1 10.5 57 363 A R T << S+ 0 0 148 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.457 80.7 105.5 -96.4 -2.2 16.3 48.2 12.3 58 364 A V S X S- 0 0 4 -3,-2.0 3,-2.4 -4,-0.4 4,-0.5 -0.691 87.4-100.7 -78.1 120.2 15.4 44.6 13.2 59 365 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.091 102.9 9.9 -45.5 129.7 17.5 42.4 10.8 60 366 A G T 3> S+ 0 0 6 -4,-0.1 4,-0.6 112,-0.0 3,-0.4 0.182 99.2 104.8 86.5 -16.2 15.5 41.1 7.8 61 367 A F T X4 S+ 0 0 0 -3,-2.4 3,-1.5 1,-0.2 -5,-0.1 0.946 78.5 47.0 -63.2 -51.9 12.5 43.3 8.6 62 368 A V T 34 S+ 0 0 71 -4,-0.5 -1,-0.2 -6,-0.4 7,-0.1 0.645 99.5 71.6 -66.0 -13.5 13.0 45.9 5.8 63 369 A D T 34 S+ 0 0 88 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.778 86.8 85.5 -71.6 -25.9 13.6 43.0 3.3 64 370 A L S << S- 0 0 11 -3,-1.5 2,-0.3 -4,-0.6 -4,-0.0 0.088 96.4 -81.0 -65.1-178.2 9.9 42.2 3.6 65 371 A T > - 0 0 37 1,-0.1 4,-3.3 4,-0.0 3,-0.5 -0.646 36.1-121.5 -85.3 143.5 7.1 43.8 1.6 66 372 A L H > S+ 0 0 40 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.906 117.3 48.2 -50.4 -45.8 5.8 47.1 2.8 67 373 A H H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.795 112.0 48.7 -67.9 -28.9 2.4 45.6 3.2 68 374 A D H > S+ 0 0 21 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.865 109.5 53.2 -76.3 -37.6 3.9 42.6 5.0 69 375 A Q H X S+ 0 0 7 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.909 111.1 46.6 -61.3 -42.6 5.8 45.0 7.2 70 376 A V H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.2 5,-0.3 0.946 109.6 53.4 -64.3 -50.4 2.6 46.8 8.1 71 377 A H H X S+ 0 0 33 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.911 109.4 49.2 -51.2 -47.0 0.7 43.6 8.7 72 378 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.899 114.7 42.8 -62.6 -43.0 3.3 42.5 11.2 73 379 A L H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 -1,-0.2 0.882 110.4 57.0 -71.0 -37.1 3.3 45.7 13.1 74 380 A E H < S+ 0 0 69 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.798 112.5 42.5 -62.4 -28.9 -0.4 45.9 13.0 75 381 A S H < S+ 0 0 35 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.814 126.6 30.3 -86.0 -32.5 -0.5 42.5 14.7 76 382 A A H >X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 3,-0.8 0.674 83.7 101.3-103.1 -19.7 2.2 43.2 17.2 77 383 A W H 3X S+ 0 0 32 -4,-3.4 4,-2.0 1,-0.3 5,-0.1 0.798 90.7 40.3 -36.1 -54.1 2.2 46.9 18.1 78 384 A L H 3> S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.851 112.5 55.1 -69.5 -34.8 0.4 46.6 21.4 79 385 A E H <> S+ 0 0 5 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.867 110.1 48.0 -64.4 -35.4 2.3 43.4 22.5 80 386 A I H X S+ 0 0 7 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.898 109.5 50.7 -72.1 -42.3 5.6 45.3 21.9 81 387 A L H X S+ 0 0 20 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.936 115.0 46.9 -59.5 -42.2 4.4 48.3 23.9 82 388 A M H X S+ 0 0 14 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.934 109.3 48.8 -66.2 -50.6 3.4 45.9 26.7 83 389 A I H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.825 113.3 51.3 -62.3 -26.3 6.6 43.7 26.8 84 390 A G H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.906 109.8 48.5 -74.2 -42.8 8.5 47.0 26.9 85 391 A L H X S+ 0 0 12 -4,-2.1 4,-1.1 1,-0.2 12,-0.4 0.943 111.5 49.6 -60.2 -47.9 6.4 48.3 29.8 86 392 A V H X S+ 0 0 0 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.852 108.7 54.7 -60.1 -37.7 6.8 45.0 31.7 87 393 A W H >< S+ 0 0 69 -4,-1.5 3,-1.7 -5,-0.3 4,-0.3 0.980 110.2 42.2 -61.9 -58.6 10.6 45.2 31.2 88 394 A R H 3< S+ 0 0 41 -4,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.636 113.8 54.6 -66.8 -11.7 11.2 48.6 32.7 89 395 A S H >< S+ 0 0 0 -4,-1.1 3,-2.5 -5,-0.2 6,-0.3 0.524 80.7 97.4 -95.1 -7.6 8.7 47.8 35.5 90 396 A M T << S+ 0 0 21 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.1 0.843 86.0 42.8 -48.8 -44.1 10.7 44.7 36.4 91 397 A E T 3 S+ 0 0 154 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.184 101.6 77.9 -91.7 17.5 12.7 46.4 39.2 92 398 A H S X S- 0 0 57 -3,-2.5 3,-2.2 3,-0.2 -1,-0.2 -0.615 75.5-153.0-128.1 72.8 9.6 48.2 40.5 93 399 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.118 78.5 5.2 -46.6 128.3 7.5 45.6 42.5 94 400 A G T 3 S+ 0 0 41 1,-0.2 12,-0.8 29,-0.1 2,-0.3 0.497 118.0 89.6 73.6 3.5 3.8 46.4 42.6 95 401 A K E < -A 105 0A 96 -3,-2.2 2,-0.5 -6,-0.3 10,-0.2 -0.901 66.0-138.6-131.8 160.7 4.2 49.3 40.2 96 402 A L E -A 104 0A 1 8,-3.0 8,-2.0 -2,-0.3 2,-1.6 -0.970 10.9-150.6-121.8 116.2 4.1 49.9 36.4 97 403 A L E +A 103 0A 25 -2,-0.5 6,-0.2 -12,-0.4 -9,-0.1 -0.629 26.5 165.2 -88.3 81.3 6.8 52.3 35.0 98 404 A F E S- 0 0 16 -2,-1.6 -1,-0.2 4,-1.5 5,-0.2 0.794 76.7 -16.8 -64.3 -29.8 4.8 53.7 32.1 99 405 A A E > S-A 102 0A 0 3,-0.8 3,-3.7 -3,-0.2 -1,-0.3 -0.920 78.6 -94.4-170.4 150.1 7.4 56.4 31.9 100 406 A P T 3 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.786 129.4 40.3 -43.9 -31.0 10.1 57.8 34.3 101 407 A N T 3 S+ 0 0 62 1,-0.2 2,-0.1 -4,-0.0 -79,-0.1 0.146 111.4 62.2-105.6 17.7 7.6 60.5 35.4 102 408 A L E < +A 99 0A 5 -3,-3.7 -4,-1.5 2,-0.0 -3,-0.8 -0.566 56.1 156.7-145.1 76.3 4.6 58.1 35.4 103 409 A L E -A 97 0A 62 -6,-0.2 2,-0.3 -3,-0.2 -6,-0.2 -0.907 19.7-177.2-104.5 109.4 5.0 55.3 37.9 104 410 A L E -A 96 0A 3 -8,-2.0 -8,-3.0 -2,-0.7 2,-0.1 -0.846 11.6-152.4-111.5 146.4 1.5 53.9 38.9 105 411 A D E -A 95 0A 61 -2,-0.3 4,-0.4 -10,-0.2 3,-0.4 -0.435 41.7 -79.9-104.0-177.4 0.6 51.2 41.4 106 412 A R S >> S+ 0 0 100 -12,-0.8 3,-3.1 1,-0.2 4,-0.5 0.932 123.8 50.7 -44.0 -69.0 -2.4 48.8 41.5 107 413 A N G >4 S+ 0 0 103 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.782 99.0 65.1 -43.4 -41.0 -5.0 51.2 43.0 108 414 A Q G >4 S+ 0 0 58 -3,-0.4 3,-0.6 1,-0.3 -1,-0.3 0.655 94.4 64.0 -62.3 -11.8 -4.3 53.9 40.4 109 415 A G G X4 S+ 0 0 0 -3,-3.1 3,-1.1 -4,-0.4 6,-0.3 0.827 80.6 75.9 -79.3 -32.9 -5.6 51.4 37.9 110 416 A K G << S+ 0 0 133 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.338 73.8 92.9 -61.1 11.3 -9.1 51.5 39.4 111 417 A S G < S+ 0 0 75 -3,-0.6 -1,-0.2 2,-0.1 2,-0.2 0.972 86.9 35.8 -69.5 -56.6 -9.3 54.9 37.7 112 418 A V S X S- 0 0 32 -3,-1.1 3,-1.4 -4,-0.2 4,-0.5 -0.627 103.2 -87.2 -98.9 157.9 -10.9 53.5 34.5 113 419 A E T 3 S- 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.474 108.1 -5.5 -66.9 123.0 -13.5 50.7 34.2 114 420 A G T 3> S+ 0 0 45 -2,-0.3 4,-0.7 1,-0.1 -1,-0.3 0.605 98.4 115.1 70.2 13.6 -11.8 47.3 33.9 115 421 A M H <> + 0 0 6 -3,-1.4 4,-2.1 -6,-0.3 -5,-0.2 0.756 65.1 64.9 -85.0 -25.3 -8.3 48.8 33.7 116 422 A V H > S+ 0 0 34 -4,-0.5 4,-1.9 -7,-0.2 -1,-0.2 0.718 96.0 60.8 -68.9 -19.3 -7.2 47.2 37.0 117 423 A E H > S+ 0 0 98 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.930 107.8 42.9 -69.3 -47.1 -7.6 43.8 35.3 118 424 A I H X S+ 0 0 16 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.868 111.4 54.1 -67.7 -39.8 -5.0 44.7 32.7 119 425 A F H X S+ 0 0 4 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.939 108.3 50.4 -60.6 -47.4 -2.6 46.3 35.3 120 426 A D H X S+ 0 0 57 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.902 109.5 49.5 -58.3 -43.5 -2.7 43.1 37.4 121 427 A M H X S+ 0 0 30 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.905 113.7 47.8 -63.4 -38.2 -1.9 41.0 34.3 122 428 A L H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.938 110.5 49.5 -67.0 -46.5 1.0 43.3 33.6 123 429 A L H X S+ 0 0 22 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.925 109.8 53.3 -58.2 -43.5 2.3 43.3 37.1 124 430 A A H X S+ 0 0 56 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.857 109.1 48.2 -59.8 -37.9 2.2 39.5 37.1 125 431 A T H X S+ 0 0 3 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.916 110.6 50.9 -69.4 -42.5 4.2 39.4 33.9 126 432 A S H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.935 109.6 52.2 -58.0 -45.6 6.7 41.9 35.4 127 433 A S H X S+ 0 0 52 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.872 106.5 51.8 -58.3 -41.8 6.9 39.6 38.4 128 434 A R H X S+ 0 0 93 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.881 106.8 54.2 -64.7 -37.4 7.6 36.5 36.2 129 435 A F H X>S+ 0 0 4 -4,-2.1 5,-1.6 2,-0.2 4,-1.0 0.916 109.4 47.9 -62.3 -41.5 10.4 38.5 34.6 130 436 A R H ><5S+ 0 0 90 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.931 110.4 52.4 -62.9 -44.8 11.9 39.1 38.1 131 437 A M H 3<5S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 115.4 39.9 -57.2 -43.4 11.5 35.4 38.9 132 438 A M H 3<5S- 0 0 15 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.544 102.4-133.0 -84.6 -8.1 13.4 34.4 35.8 133 439 A N T <<5 - 0 0 106 -4,-1.0 -3,-0.2 -3,-0.6 -4,-0.1 0.962 29.9-154.8 52.3 55.3 15.9 37.2 36.1 134 440 A L < - 0 0 4 -5,-1.6 2,-0.3 -6,-0.1 -1,-0.1 -0.327 4.3-134.7 -61.7 140.4 15.5 38.0 32.5 135 441 A Q >> - 0 0 89 -3,-0.1 4,-3.0 1,-0.1 3,-0.8 -0.733 17.7-115.4-102.0 149.6 18.6 39.8 30.9 136 442 A G H 3> S+ 0 0 25 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.803 117.8 51.8 -48.6 -34.7 18.6 42.8 28.6 137 443 A E H 3> S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.872 110.7 47.0 -72.3 -36.9 19.9 40.7 25.8 138 444 A E H <> S+ 0 0 8 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.921 109.1 57.7 -68.1 -43.0 17.2 38.1 26.2 139 445 A F H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.910 105.7 45.9 -53.2 -52.8 14.6 40.9 26.4 140 446 A V H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.870 110.4 54.9 -62.6 -35.3 15.5 42.4 23.0 141 447 A C H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.926 109.3 48.0 -62.6 -42.2 15.5 39.0 21.3 142 448 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.896 109.3 51.3 -65.3 -41.3 12.0 38.4 22.7 143 449 A K H X S+ 0 0 12 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.838 111.6 48.4 -66.6 -33.1 10.6 41.8 21.5 144 450 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.860 109.4 52.6 -74.1 -36.0 12.0 41.0 18.0 145 451 A I H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.935 107.8 51.9 -63.8 -45.2 10.5 37.6 18.0 146 452 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.926 108.7 51.4 -55.1 -48.5 7.1 39.1 18.9 147 453 A L H < S+ 0 0 0 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.881 118.5 35.5 -56.0 -45.5 7.4 41.5 16.0 148 454 A L H < S+ 0 0 1 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.736 124.6 41.9 -84.1 -24.1 8.2 38.8 13.4 149 455 A N H >< S+ 0 0 34 -4,-2.7 3,-1.6 -5,-0.2 4,-0.4 0.892 93.4 72.3 -91.8 -44.7 5.9 36.1 14.9 150 456 A S T 3< S+ 0 0 6 -4,-2.5 3,-0.2 -5,-0.3 -3,-0.1 0.753 113.1 25.8 -46.6 -35.5 2.6 37.7 16.0 151 457 A G T > S+ 0 0 0 -4,-0.3 3,-1.1 -5,-0.3 -1,-0.3 0.359 92.2 97.4-113.9 8.9 1.3 38.2 12.4 152 458 A V T < S+ 0 0 2 -3,-1.6 3,-0.3 1,-0.2 -2,-0.1 0.620 85.3 50.6 -73.4 -10.3 3.1 35.5 10.5 153 459 A Y T 3 S+ 0 0 154 -4,-0.4 -1,-0.2 -3,-0.2 3,-0.1 0.377 104.7 58.3-104.9 1.6 0.1 33.1 10.7 154 460 A T < + 0 0 69 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.1 -0.112 62.5 105.4-123.4 37.1 -2.5 35.6 9.5 155 461 A F - 0 0 30 -3,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.797 66.0-154.7 -80.6 -27.3 -1.3 36.7 6.0 156 462 A L + 0 0 157 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.961 50.7 111.2 51.6 59.5 -4.0 34.4 4.6 157 463 A S - 0 0 40 5,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.976 48.0-172.4-160.1 146.0 -2.2 33.9 1.3 158 464 A S + 0 0 103 -2,-0.3 -1,-0.0 -3,-0.1 -2,-0.0 0.044 44.6 133.4-127.5 21.4 -0.5 31.1 -0.6 159 465 A T S > S- 0 0 75 1,-0.1 4,-1.8 4,-0.0 5,-0.2 -0.290 72.3-108.1 -67.3 161.3 1.0 33.2 -3.5 160 466 A L H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 120.5 51.1 -59.1 -43.3 4.6 32.6 -4.3 161 467 A K H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 109.1 48.6 -61.2 -43.4 5.6 35.9 -2.8 162 468 A S H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.816 111.1 53.1 -66.8 -28.8 3.7 35.3 0.5 163 469 A L H X S+ 0 0 87 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.858 109.6 46.3 -74.4 -36.4 5.4 31.9 0.6 164 470 A E H X S+ 0 0 114 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.845 113.8 50.4 -74.2 -32.2 8.9 33.4 0.2 165 471 A E H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.968 111.1 45.8 -68.8 -54.1 8.0 36.1 2.9 166 472 A K H X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.925 114.1 51.5 -54.3 -44.3 6.8 33.6 5.4 167 473 A D H X S+ 0 0 85 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.960 110.9 47.3 -55.5 -53.8 9.8 31.5 4.7 168 474 A H H X S+ 0 0 34 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.787 109.9 52.7 -60.3 -31.9 12.1 34.5 5.2 169 475 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.907 109.6 47.6 -72.5 -41.1 10.4 35.5 8.5 170 476 A H H X S+ 0 0 57 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.678 109.3 56.3 -72.9 -17.7 10.8 32.0 10.0 171 477 A R H X S+ 0 0 111 -4,-1.1 4,-1.4 -5,-0.2 -1,-0.2 0.847 109.9 43.1 -81.3 -35.6 14.4 32.1 8.9 172 478 A V H X S+ 0 0 6 -4,-1.4 4,-2.2 2,-0.2 3,-0.3 0.958 113.2 53.4 -71.0 -49.4 15.2 35.3 10.7 173 479 A L H X S+ 0 0 14 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.892 106.3 52.2 -50.4 -44.6 13.2 34.0 13.7 174 480 A D H X S+ 0 0 75 -4,-1.6 4,-2.6 1,-0.2 -1,-0.3 0.907 106.1 55.3 -59.4 -40.4 15.3 30.8 13.7 175 481 A K H X S+ 0 0 49 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.922 107.3 49.2 -57.4 -44.6 18.4 33.1 13.8 176 482 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.850 108.3 53.7 -64.8 -32.8 17.0 34.8 16.9 177 483 A T H X S+ 0 0 39 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.959 108.3 49.4 -65.3 -48.6 16.4 31.4 18.5 178 484 A D H X S+ 0 0 93 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.903 111.0 51.4 -54.5 -42.6 20.0 30.4 17.9 179 485 A T H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.909 107.0 52.0 -62.8 -44.2 21.1 33.8 19.4 180 486 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.909 112.0 46.3 -59.0 -44.6 18.9 33.2 22.5 181 487 A I H X S+ 0 0 45 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.942 107.8 56.4 -64.2 -46.9 20.5 29.8 23.1 182 488 A H H X S+ 0 0 67 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.944 107.7 49.5 -49.1 -52.5 24.0 31.2 22.5 183 489 A L H X S+ 0 0 29 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.899 112.1 47.1 -52.5 -47.2 23.4 33.7 25.3 184 490 A M H <>S+ 0 0 1 -4,-1.9 5,-1.3 2,-0.2 4,-0.3 0.809 109.6 54.1 -67.1 -31.4 22.2 31.0 27.6 185 491 A A H ><5S+ 0 0 43 -4,-2.7 3,-1.0 -3,-0.3 -2,-0.2 0.917 110.4 46.4 -68.1 -43.1 25.2 28.8 26.7 186 492 A K H 3<5S+ 0 0 135 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.810 102.4 63.6 -68.4 -31.3 27.6 31.7 27.6 187 493 A A T 3<5S- 0 0 78 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.654 122.2-108.1 -67.6 -13.3 25.7 32.3 30.9 188 494 A G T < 5 + 0 0 59 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.243 68.1 147.5 106.7 -12.7 26.8 28.8 31.8 189 495 A L < - 0 0 39 -5,-1.3 -1,-0.3 4,-0.1 -2,-0.0 -0.223 47.5-118.1 -58.5 144.7 23.5 26.9 31.6 190 496 A T > - 0 0 75 1,-0.1 4,-1.7 4,-0.0 5,-0.1 -0.112 34.1 -95.5 -71.7 178.0 23.7 23.3 30.5 191 497 A L H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.937 127.1 49.8 -62.4 -45.9 22.0 22.1 27.3 192 498 A Q H > S+ 0 0 131 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.939 111.2 47.7 -58.3 -49.4 19.0 21.0 29.3 193 499 A Q H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.804 108.7 56.7 -62.3 -30.3 18.7 24.3 31.1 194 500 A Q H X S+ 0 0 16 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.943 110.1 43.4 -66.4 -47.6 19.1 26.1 27.8 195 501 A H H X S+ 0 0 118 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.951 115.3 48.2 -62.3 -52.2 16.1 24.3 26.3 196 502 A Q H X S+ 0 0 99 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.878 114.2 46.2 -57.0 -42.8 13.9 24.7 29.4 197 503 A R H X S+ 0 0 40 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.852 110.0 53.4 -70.8 -35.7 14.7 28.4 29.7 198 504 A L H X S+ 0 0 29 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.950 111.8 46.7 -61.9 -47.4 14.1 29.0 26.0 199 505 A A H X S+ 0 0 45 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.898 109.9 51.6 -61.5 -44.3 10.7 27.4 26.4 200 506 A Q H X S+ 0 0 72 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.860 112.5 48.2 -61.7 -35.8 9.8 29.4 29.6 201 507 A L H >X S+ 0 0 2 -4,-1.9 4,-0.7 2,-0.2 3,-0.6 0.945 113.0 45.0 -70.7 -49.6 10.7 32.6 27.7 202 508 A L H >X S+ 0 0 62 -4,-2.7 3,-1.3 1,-0.2 4,-0.6 0.896 108.3 58.1 -62.6 -40.7 8.7 31.8 24.6 203 509 A L H >X S+ 0 0 117 -4,-2.6 4,-1.0 1,-0.3 3,-0.8 0.780 95.8 62.8 -62.5 -26.0 5.7 30.7 26.6 204 510 A I H 0 0 127 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 153.6 -7.3 52.9 10.1 222 536 A L H > + 0 0 54 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.840 360.0 59.8 -61.3 -32.3 -4.2 51.7 12.0 223 537 A Y H > S+ 0 0 69 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.956 108.7 40.9 -59.4 -54.0 -3.1 50.1 8.7 224 538 A D H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.872 115.4 51.8 -62.2 -41.4 -3.0 53.4 6.8 225 539 A L H X S+ 0 0 95 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.961 114.8 42.3 -58.9 -52.4 -1.4 55.1 9.8 226 540 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.891 111.5 56.5 -61.4 -44.3 1.2 52.5 10.1 227 541 A L H X S+ 0 0 46 -4,-3.1 4,-3.1 1,-0.2 3,-0.4 0.974 105.3 49.6 -51.6 -63.7 1.7 52.4 6.3 228 542 A E H < S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 112.9 48.4 -46.8 -39.6 2.5 56.2 6.1 229 543 A M H < S+ 0 0 51 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.903 116.5 42.0 -70.7 -40.5 5.0 55.8 8.9 230 544 A L H < S+ 0 0 3 -4,-2.6 2,-1.9 -3,-0.4 -2,-0.2 0.950 101.8 69.4 -70.0 -52.2 6.7 52.8 7.3 231 545 A D < 0 0 94 -4,-3.1 -1,-0.2 -5,-0.2 -4,-0.0 -0.475 360.0 360.0 -73.3 79.1 6.8 54.0 3.6 232 546 A A 0 0 133 -2,-1.9 -3,-0.1 -3,-0.1 -2,-0.0 -0.450 360.0 360.0 -95.8 360.0 9.3 56.8 3.8