==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-APR-08 3CQV . COMPND 2 MOLECULE: NUCLEAR RECEPTOR SUBFAMILY 1 GROUP D MEMBER 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.XU,A.DONG,K.I.PARDEE,J.REINKING,H.KRAUSE,A.SCHUETZ, . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 74.0 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 . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 0 1 1 0 0 0 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 381 A H 0 0 116 0, 0.0 2,-0.4 0, 0.0 10,-0.2 0.000 360.0 360.0 360.0 150.4 58.9 14.6 67.9 2 382 A L - 0 0 15 8,-2.2 5,-0.1 7,-0.1 2,-0.1 -0.888 360.0-172.6-129.4 95.9 58.6 11.9 65.2 3 383 A V + 0 0 43 -2,-0.4 8,-0.0 94,-0.2 95,-0.0 0.035 43.5 115.6 -91.4 29.4 60.1 13.5 62.1 4 384 A C > - 0 0 26 5,-0.2 3,-2.3 -2,-0.1 5,-0.1 -0.875 62.4-141.6 -99.0 125.5 59.2 10.8 59.6 5 385 A P T 3 S+ 0 0 15 0, 0.0 79,-1.6 0, 0.0 80,-0.1 0.510 96.0 77.4 -66.8 -2.9 56.7 11.9 56.9 6 386 A X T 3 S+ 0 0 29 77,-0.2 26,-0.1 78,-0.1 2,-0.1 0.627 86.0 83.6 -73.2 -14.5 54.9 8.6 57.0 7 387 A S S < S- 0 0 15 -3,-2.3 77,-1.4 -5,-0.1 78,-0.5 -0.319 89.0-123.9 -77.5 166.6 53.4 10.1 60.2 8 388 A K S S- 0 0 66 1,-0.4 79,-0.3 76,-0.2 77,-0.3 0.779 93.3 -6.3 -79.4 -26.6 50.4 12.4 60.2 9 389 A S - 0 0 33 -5,-0.1 -1,-0.4 2,-0.1 -5,-0.2 -0.968 64.6-122.8-163.5 150.1 52.3 15.1 62.1 10 390 A P S S+ 0 0 0 0, 0.0 -8,-2.2 0, 0.0 2,-0.4 0.519 82.6 100.9 -80.6 -1.8 55.8 15.3 63.6 11 391 A Y - 0 0 134 -10,-0.2 2,-0.4 -8,-0.0 -2,-0.1 -0.718 57.5-159.4 -91.1 129.6 54.3 16.2 67.0 12 392 A V - 0 0 42 -2,-0.4 9,-0.0 4,-0.0 3,-0.0 -0.912 22.7-122.6-107.2 131.5 54.0 13.5 69.6 13 393 A D > - 0 0 73 -2,-0.4 3,-2.2 1,-0.2 8,-0.1 -0.643 21.7-154.8 -65.6 107.5 51.7 13.6 72.6 14 394 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.626 89.1 64.3 -67.6 -9.9 54.2 13.2 75.4 15 395 A H T 3 S+ 0 0 172 2,-0.1 2,-0.3 -3,-0.0 -2,-0.1 0.376 85.1 92.6 -94.4 4.4 51.5 11.8 77.7 16 396 A K S < S- 0 0 84 -3,-2.2 2,-0.1 1,-0.1 -4,-0.0 -0.712 81.1-114.4 -92.6 147.5 51.0 8.7 75.4 17 397 A S > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.372 30.8-105.2 -71.4 160.3 52.9 5.5 76.1 18 398 A G H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.838 122.9 53.4 -51.4 -37.4 55.5 4.3 73.5 19 399 A H H > S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 107.6 47.9 -69.3 -41.8 53.0 1.6 72.5 20 400 A E H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.877 111.1 52.2 -65.7 -38.9 50.2 4.1 71.8 21 401 A I H X S+ 0 0 31 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.944 112.4 45.2 -63.5 -46.8 52.6 6.3 69.8 22 402 A W H X S+ 0 0 95 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.892 111.4 52.8 -61.9 -41.7 53.6 3.4 67.7 23 403 A E H X S+ 0 0 103 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.927 112.3 44.6 -58.7 -48.7 50.0 2.2 67.2 24 404 A E H X S+ 0 0 60 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.925 113.9 49.8 -63.5 -44.6 48.9 5.7 66.0 25 405 A F H >X S+ 0 0 21 -4,-2.5 4,-2.2 1,-0.2 3,-1.4 0.938 108.2 54.8 -58.7 -46.4 52.0 5.9 63.8 26 406 A S H 3X S+ 0 0 35 -4,-3.3 4,-2.4 1,-0.3 -1,-0.2 0.838 99.2 59.9 -57.2 -35.7 51.2 2.4 62.3 27 407 A X H 3< S+ 0 0 129 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.804 111.3 43.3 -63.7 -25.2 47.7 3.5 61.4 28 408 A S H << S+ 0 0 20 -3,-1.4 4,-0.5 -4,-0.8 -2,-0.2 0.924 121.8 33.6 -84.0 -50.1 49.4 6.1 59.2 29 409 A F H X S+ 0 0 44 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.742 101.7 76.7 -81.6 -24.0 52.2 4.0 57.6 30 410 A T H X S+ 0 0 46 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.880 89.7 54.2 -58.6 -44.3 50.4 0.6 57.3 31 411 A P H > S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.896 109.6 49.5 -56.4 -38.3 48.2 1.5 54.3 32 412 A A H > S+ 0 0 4 -4,-0.5 4,-1.2 -3,-0.3 -2,-0.2 0.886 110.3 50.5 -64.7 -40.0 51.4 2.5 52.4 33 413 A V H X S+ 0 0 50 -4,-1.8 4,-1.7 1,-0.2 3,-0.4 0.912 109.3 50.6 -65.1 -44.2 53.1 -0.8 53.4 34 414 A K H X S+ 0 0 135 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.821 104.7 58.3 -62.6 -32.8 50.0 -2.8 52.2 35 415 A E H X S+ 0 0 94 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.827 103.2 52.9 -65.4 -34.6 50.1 -0.9 48.8 36 416 A V H X S+ 0 0 3 -4,-1.2 4,-2.8 -3,-0.4 -2,-0.2 0.922 107.2 52.3 -66.4 -44.1 53.7 -2.2 48.3 37 417 A V H X S+ 0 0 44 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.930 111.4 45.8 -54.3 -46.4 52.5 -5.8 48.9 38 418 A E H X S+ 0 0 110 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.888 112.0 52.0 -67.6 -37.0 49.7 -5.4 46.3 39 419 A F H >< S+ 0 0 31 -4,-2.0 3,-0.9 1,-0.2 4,-0.2 0.925 109.0 50.4 -60.1 -49.5 52.2 -3.8 43.8 40 420 A A H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 6,-0.2 0.901 104.4 57.0 -58.5 -42.7 54.6 -6.7 44.3 41 421 A K H 3< S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.748 102.4 58.5 -60.9 -22.9 51.8 -9.3 43.7 42 422 A R T << S+ 0 0 165 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.405 79.3 92.9 -89.6 -1.7 51.3 -7.5 40.3 43 423 A I S X> S- 0 0 9 -3,-2.0 3,-1.1 -4,-0.2 4,-0.9 -0.872 75.8-147.3 -85.2 113.7 54.9 -8.1 39.2 44 424 A P G >4 S+ 0 0 87 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.914 92.6 45.9 -58.7 -46.5 54.2 -11.4 37.3 45 425 A G G >4 S+ 0 0 22 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.694 98.0 73.8 -70.3 -18.9 57.6 -13.1 38.0 46 426 A F G X4 S+ 0 0 0 -3,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.893 91.5 56.5 -58.3 -40.7 57.4 -12.1 41.7 47 427 A R G << S+ 0 0 140 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.693 99.6 60.4 -67.9 -18.3 54.7 -14.7 42.3 48 428 A D G < S+ 0 0 144 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.562 85.5 94.3 -85.6 -12.0 57.1 -17.4 40.9 49 429 A L S < S- 0 0 10 -3,-1.3 5,-0.0 -4,-0.5 -3,-0.0 -0.399 94.8 -87.6 -68.3 156.3 59.6 -16.7 43.6 50 430 A S > - 0 0 39 1,-0.1 4,-2.8 91,-0.1 5,-0.2 -0.283 35.5-114.1 -61.3 155.3 59.4 -19.0 46.8 51 431 A Q H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 118.8 52.9 -56.5 -40.4 57.1 -17.7 49.5 52 432 A H H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 110.5 45.8 -60.1 -45.5 60.1 -17.2 51.7 53 433 A D H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.877 109.8 54.9 -72.6 -35.5 61.9 -15.1 49.1 54 434 A Q H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.959 111.6 44.2 -55.1 -49.3 58.8 -13.1 48.4 55 435 A V H X S+ 0 0 95 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.903 113.8 50.3 -65.4 -43.0 58.5 -12.2 52.1 56 436 A N H X S+ 0 0 34 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.877 108.6 51.2 -66.0 -40.3 62.2 -11.4 52.4 57 437 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.918 113.1 46.2 -59.2 -43.6 62.2 -9.1 49.4 58 438 A L H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.908 111.5 51.9 -67.2 -38.8 59.3 -7.2 50.8 59 439 A K H < S+ 0 0 120 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.864 120.6 33.5 -60.7 -39.4 60.9 -7.1 54.3 60 440 A A H < S+ 0 0 22 -4,-2.0 4,-0.3 -5,-0.1 75,-0.3 0.784 127.1 37.6 -88.3 -31.0 64.2 -5.7 52.9 61 441 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.536 84.6 89.9-105.9 -11.1 62.8 -3.6 50.0 62 442 A T H X S+ 0 0 22 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.912 90.7 52.1 -55.8 -43.3 59.5 -2.0 51.2 63 443 A F H > S+ 0 0 40 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 110.4 47.0 -59.5 -44.0 61.4 1.0 52.5 64 444 A E H > S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.871 111.1 52.2 -68.2 -36.9 63.2 1.6 49.2 65 445 A V H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.957 112.8 44.3 -58.5 -50.9 59.9 1.2 47.2 66 446 A L H X S+ 0 0 18 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.842 107.4 59.3 -64.3 -35.5 58.2 3.8 49.4 67 447 A X H < S+ 0 0 9 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.908 112.2 40.9 -60.0 -40.0 61.2 6.1 49.2 68 448 A V H >< S+ 0 0 3 -4,-1.7 3,-1.3 -3,-0.2 4,-0.3 0.956 116.1 48.6 -70.6 -48.8 60.8 6.2 45.4 69 449 A R H 3< S+ 0 0 116 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.832 119.8 38.4 -59.0 -38.1 57.0 6.4 45.6 70 450 A F T >< S+ 0 0 27 -4,-2.8 3,-2.1 -5,-0.2 4,-0.3 0.196 78.3 107.9-104.5 15.4 57.2 9.2 48.1 71 451 A A G X S+ 0 0 1 -3,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.831 73.3 67.3 -57.4 -30.5 60.1 11.2 46.7 72 452 A S G 3 S+ 0 0 91 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.565 83.1 72.9 -72.4 -3.9 57.6 13.7 45.6 73 453 A L G < S+ 0 0 21 -3,-2.1 9,-2.5 8,-0.1 2,-0.7 0.656 85.1 76.5 -75.1 -16.4 56.8 14.6 49.3 74 454 A F E < -A 81 0A 7 -3,-1.7 2,-0.8 -4,-0.3 7,-0.2 -0.870 66.6-168.8-101.7 112.3 60.2 16.3 49.4 75 455 A D E >> -A 80 0A 58 5,-2.9 4,-1.7 -2,-0.7 5,-1.4 -0.880 3.0-173.4-105.0 97.5 60.0 19.7 47.7 76 456 A A T 45S+ 0 0 25 -2,-0.8 -1,-0.2 1,-0.2 31,-0.0 0.866 82.6 51.4 -63.6 -32.9 63.6 20.9 47.3 77 457 A K T 45S+ 0 0 186 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.928 119.7 33.7 -67.8 -46.9 62.6 24.3 46.0 78 458 A E T 45S- 0 0 122 2,-0.1 -1,-0.2 12,-0.0 -2,-0.2 0.640 102.7-134.9 -78.8 -15.5 60.1 25.1 48.8 79 459 A R T <5 + 0 0 172 -4,-1.7 12,-2.5 1,-0.2 2,-0.3 0.928 60.6 130.7 53.4 49.8 62.4 23.2 51.2 80 460 A T E < -AB 75 90A 23 -5,-1.4 -5,-2.9 10,-0.3 2,-0.5 -0.934 51.2-146.7-127.9 151.9 59.3 21.4 52.7 81 461 A V E -AB 74 89A 0 8,-2.6 8,-2.3 -2,-0.3 2,-0.5 -0.990 15.9-143.7-116.0 129.6 58.3 17.9 53.4 82 462 A T E - B 0 88A 27 -9,-2.5 6,-0.3 -2,-0.5 2,-0.1 -0.804 16.4-146.4 -91.1 127.6 54.7 16.9 53.0 83 463 A F > - 0 0 3 4,-3.5 3,-2.5 -2,-0.5 -77,-0.2 -0.426 33.8 -93.9 -89.7 169.4 53.5 14.4 55.6 84 464 A L T 3 S+ 0 0 58 -79,-1.6 -76,-0.2 -77,-1.4 -78,-0.1 0.689 124.8 60.5 -63.0 -15.8 50.9 11.7 54.9 85 465 A S T 3 S- 0 0 58 -78,-0.5 -1,-0.3 -77,-0.3 -77,-0.1 0.652 118.5-109.7 -76.3 -18.9 48.2 14.0 56.2 86 466 A G S < S+ 0 0 50 -3,-2.5 -2,-0.1 1,-0.4 2,-0.1 0.225 77.8 132.5 99.8 -13.3 49.0 16.6 53.5 87 467 A K - 0 0 76 -79,-0.3 -4,-3.5 -5,-0.1 -1,-0.4 -0.460 47.3-142.5 -69.7 148.8 50.4 19.0 56.1 88 468 A K E -B 82 0A 136 -6,-0.3 2,-0.4 -2,-0.1 -6,-0.2 -0.905 14.2-168.5-120.4 142.1 53.8 20.5 55.2 89 469 A Y E -B 81 0A 28 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.1 -0.981 23.7-118.4-130.9 137.7 56.8 21.2 57.4 90 470 A S E > -B 80 0A 40 -2,-0.4 4,-2.3 -10,-0.2 -10,-0.3 -0.404 23.1-120.1 -71.5 154.1 59.9 23.3 56.5 91 471 A V H > S+ 0 0 16 -12,-2.5 4,-2.8 1,-0.2 5,-0.2 0.909 114.6 55.5 -54.9 -46.4 63.4 21.6 56.6 92 472 A D H > S+ 0 0 121 -13,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.919 108.8 46.4 -54.0 -46.5 64.5 24.2 59.2 93 473 A D H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 112.5 50.0 -64.5 -44.7 61.5 23.2 61.5 94 474 A L H <>S+ 0 0 1 -4,-2.3 5,-2.5 1,-0.2 -2,-0.2 0.906 108.6 52.9 -62.8 -39.8 62.2 19.5 61.0 95 475 A H H ><5S+ 0 0 64 -4,-2.8 3,-1.6 3,-0.2 -1,-0.2 0.904 108.3 50.5 -60.3 -41.2 65.9 20.0 61.8 96 476 A S H 3<5S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.9 55.5 -66.3 -27.2 64.9 21.8 65.1 97 477 A X T 3<5S- 0 0 18 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.325 135.9 -86.7 -84.8 6.8 62.7 18.8 65.8 98 478 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.554 80.9 138.4 102.4 9.8 65.7 16.5 65.5 99 479 A A < + 0 0 16 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.489 24.0 153.4 -77.6 161.0 66.0 15.7 61.8 100 480 A G > - 0 0 34 -2,-0.1 4,-1.8 -4,-0.0 3,-0.2 -0.400 54.0 -11.9-154.4-131.8 69.6 15.8 60.4 101 481 A D H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.822 124.2 58.1 -61.1 -36.6 71.8 14.3 57.7 102 482 A L H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.957 105.9 48.4 -60.8 -48.6 69.3 11.6 56.7 103 483 A L H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 112.3 50.7 -53.7 -45.1 66.6 14.2 55.9 104 484 A N H X S+ 0 0 72 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.917 109.1 50.3 -58.8 -45.5 69.2 16.2 53.9 105 485 A S H X S+ 0 0 32 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.839 108.4 52.8 -62.2 -37.8 70.2 13.0 51.9 106 486 A X H X S+ 0 0 15 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.861 108.1 51.0 -65.8 -36.1 66.5 12.3 51.1 107 487 A F H X S+ 0 0 22 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.914 111.6 47.9 -63.4 -42.9 66.1 15.8 49.7 108 488 A E H X S+ 0 0 92 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.948 114.9 45.1 -62.9 -49.4 69.2 15.3 47.6 109 489 A F H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.926 116.1 45.8 -56.0 -49.1 67.9 11.9 46.4 110 490 A S H X S+ 0 0 0 -4,-3.0 4,-4.0 2,-0.2 5,-0.3 0.884 109.0 55.3 -68.1 -36.7 64.4 13.2 45.7 111 491 A E H X S+ 0 0 97 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.956 111.8 43.8 -60.9 -47.9 65.6 16.3 44.0 112 492 A K H < S+ 0 0 115 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.867 120.8 40.0 -64.4 -43.4 67.6 14.2 41.5 113 493 A L H >< S+ 0 0 1 -4,-2.3 3,-1.3 2,-0.2 4,-0.5 0.931 115.0 51.2 -68.5 -48.6 64.8 11.7 41.0 114 494 A N H >< S+ 0 0 51 -4,-4.0 3,-1.2 1,-0.3 -2,-0.2 0.841 106.1 58.3 -57.7 -35.0 62.0 14.3 40.9 115 495 A A T 3< S+ 0 0 76 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.703 94.8 61.4 -73.0 -22.2 64.0 16.2 38.4 116 496 A L T < S- 0 0 45 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.688 92.2-155.0 -69.0 -18.2 64.0 13.2 36.0 117 497 A Q < - 0 0 168 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.913 14.4-159.4 33.1 68.2 60.2 13.6 36.0 118 498 A L - 0 0 20 -5,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.405 15.2-114.6 -65.8 145.8 59.6 9.9 35.1 119 499 A S > - 0 0 48 -2,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.343 33.1-102.4 -69.0 163.7 56.3 9.0 33.6 120 500 A D H > S+ 0 0 146 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 123.8 49.4 -54.2 -44.6 54.0 6.7 35.6 121 501 A E H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 114.3 44.6 -63.3 -42.1 55.0 3.7 33.5 122 502 A E H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.930 115.3 47.8 -67.8 -45.4 58.7 4.4 33.8 123 503 A X H X S+ 0 0 48 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.917 111.3 51.2 -64.3 -41.0 58.4 5.1 37.5 124 504 A S H X S+ 0 0 59 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.919 112.7 44.5 -63.6 -42.5 56.3 1.8 38.0 125 505 A L H X S+ 0 0 33 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 112.9 51.7 -71.0 -39.0 58.9 -0.3 36.2 126 506 A F H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.926 108.3 52.3 -58.6 -44.7 61.8 1.3 38.0 127 507 A T H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.869 106.4 52.8 -62.3 -37.3 60.0 0.6 41.3 128 508 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.909 109.5 49.7 -60.0 -43.2 59.7 -3.0 40.4 129 509 A V H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.918 109.1 52.8 -60.7 -43.5 63.4 -3.1 39.7 130 510 A V H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.939 110.1 47.8 -58.0 -51.7 64.0 -1.4 43.1 131 511 A L H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.922 113.1 45.0 -58.6 -46.6 61.9 -4.1 44.9 132 512 A V H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 17,-0.2 0.703 107.2 61.6 -75.5 -13.1 63.6 -7.1 43.3 133 513 A S T 3< S+ 0 0 8 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.360 79.6 134.0 -89.5 5.1 67.0 -5.5 43.9 134 514 A A S < S- 0 0 0 -3,-1.5 -73,-0.1 -4,-0.2 -76,-0.1 -0.102 74.3 -66.5 -57.0 153.3 66.5 -5.6 47.7 135 515 A D - 0 0 68 -75,-0.3 3,-0.4 1,-0.2 -1,-0.2 -0.070 45.2-153.2 -39.7 127.2 69.2 -6.8 50.0 136 516 A R > + 0 0 51 1,-0.2 3,-2.6 -3,-0.2 -1,-0.2 0.377 65.8 105.7 -91.5 5.7 69.7 -10.6 49.4 137 517 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.2 -81,-0.1 -2,-0.1 0.882 85.9 44.8 -60.3 -35.5 71.0 -11.6 52.8 138 518 A G T 3 S+ 0 0 24 -3,-0.4 2,-0.4 -82,-0.1 -1,-0.3 0.260 91.7 117.2 -85.1 13.8 67.6 -13.2 53.6 139 519 A I < - 0 0 18 -3,-2.6 3,-0.3 1,-0.1 -86,-0.1 -0.715 40.6-175.2 -99.3 130.0 67.2 -15.0 50.2 140 520 A E S S+ 0 0 128 -2,-0.4 2,-0.4 1,-0.2 3,-0.1 0.736 85.7 38.4 -87.3 -29.4 67.1 -18.7 49.7 141 521 A N > + 0 0 80 1,-0.2 4,-1.5 -91,-0.1 -1,-0.2 -0.720 66.4 168.0-124.6 78.5 67.0 -18.9 45.9 142 522 A V H > S+ 0 0 55 -2,-0.4 4,-2.8 -3,-0.3 5,-0.2 0.895 75.3 55.3 -62.0 -43.0 69.4 -16.1 44.9 143 523 A N H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 105.6 52.4 -60.4 -39.0 69.6 -17.2 41.2 144 524 A S H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.883 112.0 46.0 -62.9 -37.4 65.7 -17.0 40.9 145 525 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.894 112.5 50.6 -73.0 -39.8 65.7 -13.4 42.3 146 526 A E H X S+ 0 0 87 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.888 107.8 53.4 -63.8 -36.2 68.6 -12.4 40.0 147 527 A A H X S+ 0 0 55 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.908 111.3 45.6 -63.8 -41.9 66.8 -13.9 37.0 148 528 A L H X S+ 0 0 15 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.895 111.2 52.4 -68.6 -42.4 63.7 -11.8 37.8 149 529 A Q H X S+ 0 0 47 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.934 109.4 49.9 -55.3 -48.4 65.9 -8.7 38.4 150 530 A E H X S+ 0 0 98 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.906 109.6 51.5 -58.9 -42.4 67.5 -9.2 35.0 151 531 A T H X S+ 0 0 91 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 112.9 44.4 -59.4 -47.2 64.1 -9.6 33.3 152 532 A L H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.866 111.7 52.4 -68.1 -39.6 62.8 -6.3 34.8 153 533 A I H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.859 108.9 50.9 -62.3 -41.1 66.0 -4.4 34.0 154 534 A R H X S+ 0 0 159 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.937 110.4 49.0 -60.5 -45.2 65.8 -5.5 30.4 155 535 A A H X S+ 0 0 41 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.902 111.6 50.4 -58.6 -41.9 62.2 -4.3 30.3 156 536 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.910 108.8 50.2 -66.3 -41.4 63.3 -1.0 31.8 157 537 A R H X S+ 0 0 130 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.930 112.6 48.7 -58.8 -45.4 66.1 -0.6 29.3 158 538 A T H X S+ 0 0 89 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.912 112.7 46.8 -61.4 -46.3 63.6 -1.2 26.5 159 539 A L H X S+ 0 0 21 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.929 113.2 48.6 -61.8 -45.4 61.1 1.3 27.9 160 540 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.906 110.9 50.7 -64.6 -38.8 63.7 4.0 28.4 161 541 A X H < S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.860 111.9 47.8 -67.6 -36.5 65.0 3.5 24.9 162 542 A K H < S+ 0 0 139 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.957 121.5 35.4 -61.9 -51.4 61.5 3.8 23.5 163 543 A N H < S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.681 131.0 28.3 -81.7 -22.9 60.7 6.9 25.5 164 544 A H >< + 0 0 43 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.2 -0.477 64.4 162.2-137.5 61.9 64.2 8.6 25.4 165 545 A P T 3 S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.711 83.3 40.4 -63.8 -17.1 65.9 7.4 22.2 166 546 A N T 3 S+ 0 0 164 1,-0.2 3,-0.1 -3,-0.1 -5,-0.1 0.228 116.2 50.0-112.4 10.3 68.4 10.3 22.4 167 547 A E X + 0 0 96 -3,-2.1 3,-1.7 -7,-0.2 4,-0.2 -0.318 56.7 150.9-143.1 57.2 68.9 10.1 26.2 168 548 A A T >> + 0 0 57 1,-0.3 3,-2.0 -3,-0.3 4,-0.7 0.736 61.4 81.7 -60.2 -26.1 69.7 6.5 26.9 169 549 A S H 3> S+ 0 0 58 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.618 72.5 77.1 -54.9 -19.3 71.8 7.6 29.9 170 550 A I H <> S+ 0 0 9 -3,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.893 91.1 54.9 -58.5 -38.9 68.6 7.9 31.9 171 551 A F H <> S+ 0 0 23 -3,-2.0 4,-2.1 -4,-0.2 -2,-0.2 0.955 110.6 43.4 -61.1 -49.7 68.7 4.0 32.2 172 552 A T H X S+ 0 0 78 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.926 111.0 55.0 -60.6 -44.9 72.2 4.1 33.7 173 553 A K H X S+ 0 0 99 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.880 107.5 50.9 -55.1 -40.7 71.3 7.0 35.9 174 554 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.917 108.1 50.9 -63.8 -44.8 68.3 4.9 37.3 175 555 A L H >< S+ 0 0 56 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.872 105.2 58.4 -59.3 -35.6 70.5 1.9 38.0 176 556 A L H 3X S+ 0 0 109 -4,-2.1 4,-0.7 1,-0.3 -1,-0.2 0.645 93.5 66.9 -73.2 -11.9 72.9 4.2 39.9 177 557 A K H S+ 0 0 26 -3,-1.5 4,-2.0 -4,-0.4 -1,-0.2 0.933 95.6 41.7 -59.9 -50.5 70.0 1.7 43.6 179 559 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.888 112.8 56.5 -67.7 -30.4 73.1 2.0 45.9 180 560 A D H X S+ 0 0 86 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.945 108.4 47.3 -58.5 -49.4 71.8 5.5 46.9 181 561 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.869 108.6 54.5 -57.4 -39.0 68.5 3.9 48.0 182 562 A R H X S+ 0 0 57 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.875 108.8 49.1 -63.0 -41.0 70.5 1.2 49.9 183 563 A S H X S+ 0 0 60 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.925 110.9 49.0 -60.3 -49.2 72.3 4.0 51.8 184 564 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 112.4 50.0 -56.3 -43.0 69.1 5.7 52.6 185 565 A N H X S+ 0 0 18 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.930 111.0 48.3 -62.3 -46.5 67.7 2.4 53.8 186 566 A N H X S+ 0 0 97 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.919 116.2 42.1 -58.9 -50.9 70.7 1.7 56.0 187 567 A X H X S+ 0 0 53 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.872 114.5 52.2 -63.7 -40.5 70.7 5.2 57.7 188 568 A H H X S+ 0 0 34 -4,-2.6 4,-3.0 -5,-0.3 -2,-0.2 0.903 105.0 54.0 -67.1 -41.3 66.9 5.1 58.0 189 569 A S H X S+ 0 0 48 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.865 106.9 53.2 -60.3 -37.9 66.9 1.7 59.8 190 570 A E H X S+ 0 0 131 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.925 112.5 43.6 -60.8 -46.3 69.3 3.1 62.3 191 571 A E H < S+ 0 0 109 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.873 112.7 52.8 -65.2 -41.0 67.0 6.1 63.0 192 572 A L H >< S+ 0 0 76 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.916 112.5 44.0 -61.6 -44.4 64.0 3.8 63.1 193 573 A L H 3< S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.740 108.5 57.6 -77.0 -23.2 65.5 1.5 65.7 194 574 A A T 3< S+ 0 0 72 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.483 75.9 126.3 -81.1 -3.1 66.9 4.4 67.8 195 575 A F < 0 0 76 -3,-0.9 -3,-0.0 -4,-0.4 -193,-0.0 -0.435 360.0 360.0 -69.1 111.5 63.4 5.8 68.2 196 576 A K 0 0 134 -2,-0.5 -2,-0.0 0, 0.0 -3,-0.0 -0.918 360.0 360.0-125.5 360.0 62.7 6.3 72.0