==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 07-DEC-10 3PVV . COMPND 2 MOLECULE: CHROMOSOMAL REPLICATION INITIATOR PROTEIN DNAA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR O.V.TSODIKOV,T.BISWAS . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 72.8 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 . 0 0.0 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 2 0 1 1 0 0 2 0 0 0 0 1 4 1 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 411 A I 0 0 78 0, 0.0 2,-0.3 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 -93.1 -23.7 22.1 15.1 2 412 A S > - 0 0 50 1,-0.1 4,-2.0 43,-0.1 3,-0.2 -0.725 360.0-121.2-106.0 156.5 -25.5 18.9 16.3 3 413 A A H > S+ 0 0 12 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.826 113.2 58.4 -58.1 -34.6 -28.7 18.4 18.1 4 414 A A H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 107.3 44.1 -66.3 -41.6 -26.8 16.7 20.9 5 415 A T H > S+ 0 0 55 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 114.2 51.0 -70.3 -38.1 -24.5 19.7 21.6 6 416 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.904 113.2 45.2 -64.5 -43.1 -27.5 22.0 21.4 7 417 A M H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.885 113.6 49.7 -66.9 -41.6 -29.4 19.8 23.9 8 418 A A H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.899 113.3 45.9 -63.9 -43.4 -26.4 19.5 26.2 9 419 A A H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.872 113.9 48.4 -68.1 -39.4 -25.8 23.3 26.2 10 420 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 111.6 49.5 -66.2 -44.7 -29.6 24.0 26.8 11 421 A A H <>S+ 0 0 4 -4,-2.5 5,-3.4 1,-0.2 -2,-0.2 0.901 113.7 46.3 -60.6 -44.4 -29.8 21.5 29.7 12 422 A E H ><5S+ 0 0 128 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.893 112.8 50.2 -62.7 -43.2 -26.6 23.0 31.3 13 423 A Y H 3<5S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 115.8 40.7 -66.7 -38.9 -27.9 26.6 30.8 14 424 A F T 3<5S- 0 0 53 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.157 114.6-113.3 -98.8 17.7 -31.3 25.8 32.3 15 425 A D T < 5S+ 0 0 153 -3,-1.0 2,-0.2 1,-0.2 -3,-0.2 0.899 80.3 102.2 52.5 51.2 -29.9 23.7 35.1 16 426 A T < - 0 0 39 -5,-3.4 2,-0.3 -6,-0.1 -1,-0.2 -0.718 67.1-100.6-138.3-167.7 -31.4 20.4 34.0 17 427 A T > - 0 0 65 -2,-0.2 4,-1.7 -3,-0.1 3,-0.2 -0.813 21.6-119.7-120.0 162.5 -30.3 17.2 32.2 18 428 A V H > S+ 0 0 39 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.830 115.5 62.5 -65.0 -33.5 -30.6 15.9 28.6 19 429 A E H > S+ 0 0 121 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.868 104.5 46.1 -57.8 -40.9 -32.5 12.9 30.2 20 430 A E H 4 S+ 0 0 94 2,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.883 111.4 51.6 -68.7 -40.8 -35.2 15.3 31.3 21 431 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 114.6 43.2 -63.3 -36.7 -35.2 17.0 27.9 22 432 A R H < S+ 0 0 122 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.732 104.5 87.6 -77.7 -25.5 -35.7 13.6 26.3 23 433 A G S < S- 0 0 17 -4,-1.3 -3,-0.1 -5,-0.2 -4,-0.0 -0.049 88.0-111.3 -72.0 175.4 -38.2 12.6 29.0 24 434 A P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.541 71.5 122.9 -88.8 -9.6 -42.0 13.1 28.9 25 435 A G - 0 0 30 -5,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.260 33.3-179.9 -57.3 134.7 -42.2 15.7 31.8 26 436 A K + 0 0 179 4,-0.1 2,-0.1 5,-0.0 -1,-0.1 -0.112 20.2 148.6-133.8 38.8 -43.9 19.0 30.8 27 437 A T >> - 0 0 104 1,-0.1 4,-2.8 4,-0.0 3,-0.6 -0.485 65.6 -95.7 -65.0 146.0 -43.8 21.1 33.9 28 438 A R H 3> S+ 0 0 184 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.758 119.7 41.2 -36.0 -60.1 -43.5 24.8 32.9 29 439 A A H 3> S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 119.1 44.6 -63.0 -43.8 -39.8 25.3 33.3 30 440 A L H <> S+ 0 0 17 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.912 112.1 53.0 -65.7 -45.5 -38.8 22.0 31.7 31 441 A A H X S+ 0 0 22 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.887 110.8 46.4 -58.6 -43.9 -41.3 22.3 28.9 32 442 A Q H X S+ 0 0 37 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.887 110.9 52.8 -66.5 -40.9 -39.9 25.8 27.9 33 443 A S H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.895 109.6 49.1 -60.5 -43.0 -36.3 24.5 28.1 34 444 A R H X S+ 0 0 11 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.904 111.4 48.8 -62.0 -44.4 -37.2 21.6 25.7 35 445 A Q H X S+ 0 0 35 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.825 108.4 52.9 -68.8 -35.2 -38.9 24.0 23.2 36 446 A I H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.905 109.2 50.3 -63.9 -42.6 -36.0 26.4 23.2 37 447 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.857 111.9 47.9 -62.9 -37.8 -33.7 23.5 22.4 38 448 A M H X S+ 0 0 2 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.905 112.1 48.9 -67.7 -44.9 -36.0 22.5 19.6 39 449 A Y H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 3,-0.2 0.901 109.4 52.8 -59.5 -44.1 -36.1 26.1 18.3 40 450 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.836 102.8 57.2 -64.9 -35.3 -32.3 26.4 18.4 41 451 A C H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 6,-0.4 0.876 111.2 44.7 -59.5 -38.4 -31.9 23.2 16.4 42 452 A R H < S+ 0 0 56 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.857 118.6 41.4 -72.6 -38.4 -34.0 24.9 13.7 43 453 A E H < S+ 0 0 28 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.800 124.4 35.4 -79.1 -30.7 -32.2 28.2 13.9 44 454 A L H < S+ 0 0 26 -4,-2.8 2,-0.2 -5,-0.2 -3,-0.2 0.712 117.0 37.4-101.2 -25.4 -28.7 26.8 14.2 45 455 A T < - 0 0 12 -4,-1.6 -43,-0.1 -5,-0.3 0, 0.0 -0.703 68.8-125.4-123.2 173.1 -28.6 23.7 12.0 46 456 A D + 0 0 149 -2,-0.2 -4,-0.1 -45,-0.2 -5,-0.1 0.151 61.8 140.3-101.7 16.1 -30.0 22.4 8.7 47 457 A L - 0 0 44 -6,-0.4 -2,-0.1 1,-0.1 2,-0.0 -0.311 54.4-115.4 -60.7 139.2 -31.6 19.4 10.4 48 458 A S > - 0 0 53 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.299 24.7-108.9 -70.2 159.7 -35.0 18.4 9.2 49 459 A L H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 14,-0.1 0.873 120.3 50.2 -58.0 -41.5 -38.1 18.5 11.5 50 460 A P H > S+ 0 0 76 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.881 111.0 48.4 -63.5 -39.5 -38.2 14.7 11.7 51 461 A K H > S+ 0 0 116 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.866 114.0 45.5 -69.7 -39.0 -34.5 14.4 12.6 52 462 A I H >X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 3,-0.6 0.921 111.6 53.4 -65.1 -46.0 -34.8 17.1 15.3 53 463 A G H 3<>S+ 0 0 0 -4,-2.5 5,-3.4 1,-0.2 3,-0.4 0.849 104.7 55.9 -54.3 -37.6 -38.0 15.3 16.5 54 464 A Q H ><5S+ 0 0 135 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.817 100.6 58.1 -65.8 -33.1 -35.9 12.1 16.7 55 465 A A H <<5S+ 0 0 28 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.796 115.0 35.7 -67.1 -29.8 -33.4 13.8 19.0 56 466 A F T 3<5S- 0 0 0 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.294 111.9-115.5-105.6 6.7 -36.2 14.6 21.5 57 467 A G T < 5S+ 0 0 63 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.891 77.4 121.0 56.2 42.9 -38.2 11.4 21.0 58 468 A R < - 0 0 61 -5,-3.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.874 69.1 -89.8-133.7 163.5 -41.0 13.5 19.6 59 469 A D >> - 0 0 91 -2,-0.3 4,-1.0 1,-0.1 3,-0.8 -0.348 36.6-117.6 -69.9 153.1 -43.1 14.0 16.5 60 470 A H H 3> S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.779 114.7 58.2 -63.7 -27.8 -42.0 16.4 13.8 61 471 A T H 3> S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.766 97.9 59.8 -73.3 -27.5 -45.2 18.5 14.3 62 472 A T H <> S+ 0 0 57 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.834 105.0 50.3 -66.5 -33.7 -44.3 19.0 18.0 63 473 A V H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.893 108.1 52.0 -68.4 -42.9 -41.0 20.6 16.8 64 474 A M H X S+ 0 0 94 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.892 109.9 49.4 -59.1 -43.5 -43.1 22.9 14.4 65 475 A Y H X S+ 0 0 106 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.910 110.1 51.3 -60.9 -44.9 -45.2 23.9 17.4 66 476 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.888 107.8 51.9 -60.7 -43.7 -42.1 24.7 19.5 67 477 A Q H X S+ 0 0 29 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.923 114.9 41.5 -59.1 -47.9 -40.6 26.9 16.8 68 478 A R H X S+ 0 0 140 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.876 115.6 50.7 -68.1 -40.7 -43.8 29.0 16.5 69 479 A K H X S+ 0 0 68 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.935 112.2 45.1 -63.8 -49.6 -44.3 29.1 20.2 70 480 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.884 111.0 53.5 -64.9 -40.8 -40.8 30.2 21.1 71 481 A L H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.3 -1,-0.2 0.884 113.3 43.9 -59.5 -39.9 -40.8 32.9 18.4 72 482 A S H X S+ 0 0 36 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.844 112.1 53.1 -72.8 -35.7 -44.0 34.3 19.8 73 483 A E H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.900 107.6 50.5 -64.9 -42.7 -42.7 34.0 23.4 74 484 A M H < S+ 0 0 5 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.777 107.5 55.9 -64.7 -28.8 -39.5 36.0 22.5 75 485 A A H < S+ 0 0 7 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.829 116.0 35.5 -70.4 -33.9 -41.8 38.6 20.9 76 486 A E H < S+ 0 0 113 -4,-1.2 2,-0.5 -3,-0.3 -2,-0.2 0.757 118.5 48.3 -91.9 -29.7 -43.8 39.1 24.2 77 487 A R X - 0 0 62 -4,-2.4 4,-2.1 1,-0.1 3,-0.2 -0.957 52.9-164.3-126.9 118.5 -41.0 38.6 26.8 78 488 A R H > S+ 0 0 176 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.863 95.1 60.6 -61.9 -36.9 -37.6 40.3 26.8 79 489 A E H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.862 107.6 43.6 -60.5 -38.7 -36.4 37.7 29.4 80 490 A V H > S+ 0 0 1 -7,-0.3 4,-2.2 -3,-0.2 5,-0.2 0.915 114.3 50.2 -71.9 -44.9 -37.1 34.8 26.9 81 491 A F H X S+ 0 0 2 -4,-2.1 4,-2.4 -7,-0.3 -2,-0.2 0.925 111.7 48.0 -56.5 -48.3 -35.5 36.7 24.1 82 492 A D H X S+ 0 0 44 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.833 110.1 51.9 -64.9 -36.2 -32.4 37.5 26.1 83 493 A H H X S+ 0 0 74 -4,-1.5 4,-2.7 -5,-0.2 -1,-0.2 0.928 111.9 45.0 -65.2 -47.6 -32.0 33.8 27.3 84 494 A V H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.903 113.1 52.3 -62.6 -42.8 -32.2 32.5 23.7 85 495 A K H X S+ 0 0 23 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.911 113.3 43.7 -56.7 -47.2 -29.8 35.2 22.6 86 496 A E H X S+ 0 0 75 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.891 112.7 50.6 -68.8 -42.5 -27.3 34.2 25.4 87 497 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.890 107.7 55.6 -62.6 -40.0 -27.6 30.5 24.8 88 498 A T H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.923 107.3 48.3 -56.9 -48.7 -27.0 31.0 21.1 89 499 A T H X S+ 0 0 71 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.868 113.2 48.3 -61.2 -39.1 -23.7 32.8 21.8 90 500 A R H X S+ 0 0 122 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.893 112.5 47.3 -69.2 -42.1 -22.6 30.0 24.2 91 501 A I H X S+ 0 0 7 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.918 113.9 47.5 -64.7 -45.5 -23.5 27.3 21.7 92 502 A R H X S+ 0 0 83 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.893 114.2 46.8 -62.4 -42.8 -21.7 29.0 18.9 93 503 A Q H < S+ 0 0 154 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.866 112.7 50.7 -64.6 -38.2 -18.6 29.6 21.1 94 504 A R H < S+ 0 0 146 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.795 100.0 64.8 -69.4 -31.6 -18.8 26.0 22.2 95 505 A S H < 0 0 64 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.901 360.0 360.0 -58.8 -45.4 -19.0 24.8 18.5 96 506 A K < 0 0 120 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.1 -0.760 360.0 360.0-177.8 360.0 -15.5 26.2 17.9 97 !* 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 98 411 B I 0 0 101 0, 0.0 2,-0.2 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 152.0 -20.5 44.1 15.7 99 412 B S > - 0 0 52 43,-0.1 4,-1.5 1,-0.1 5,-0.1 -0.653 360.0-113.0-108.2 166.6 -22.0 47.7 15.2 100 413 B A H > S+ 0 0 14 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.823 116.5 60.8 -65.8 -32.4 -25.3 49.0 13.9 101 414 B A H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 104.6 46.5 -61.3 -45.5 -23.4 50.4 10.9 102 415 B T H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 113.9 48.5 -63.4 -43.3 -22.2 46.9 9.8 103 416 B I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.905 111.8 48.3 -66.0 -43.3 -25.7 45.4 10.3 104 417 B M H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.865 113.2 48.9 -64.1 -38.0 -27.4 48.2 8.3 105 418 B A H X S+ 0 0 48 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.889 112.8 46.8 -67.7 -42.0 -24.8 47.9 5.5 106 419 B A H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.857 113.8 48.5 -68.9 -37.4 -25.3 44.1 5.4 107 420 B T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 109.8 51.3 -67.3 -46.6 -29.1 44.4 5.4 108 421 B A H <>S+ 0 0 4 -4,-2.2 5,-3.6 1,-0.2 -2,-0.2 0.884 113.2 45.9 -57.9 -42.3 -29.1 47.0 2.6 109 422 B E H ><5S+ 0 0 145 -4,-1.8 3,-1.1 3,-0.2 -1,-0.2 0.912 111.9 50.7 -66.3 -46.3 -26.9 44.8 0.4 110 423 B Y H 3<5S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.865 117.8 38.2 -62.2 -40.4 -28.9 41.7 1.1 111 424 B F T 3<5S- 0 0 43 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.234 112.8-117.3 -96.5 12.9 -32.2 43.4 0.2 112 425 B D T < 5S+ 0 0 151 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.906 76.7 112.9 50.4 50.1 -30.7 45.4 -2.7 113 426 B T < - 0 0 29 -5,-3.6 2,-0.3 -6,-0.2 -1,-0.2 -0.649 64.2-103.6-127.7-171.2 -31.4 48.8 -1.1 114 427 B T > - 0 0 69 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.845 17.8-122.6-119.4 159.3 -29.2 51.5 0.4 115 428 B V H > S+ 0 0 40 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.869 113.6 59.4 -64.1 -37.5 -28.3 52.6 3.9 116 429 B E H > S+ 0 0 148 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.867 106.0 48.3 -58.0 -38.9 -29.7 56.1 3.1 117 430 B E H 4 S+ 0 0 94 2,-0.2 5,-0.2 1,-0.2 -1,-0.2 0.912 108.5 53.0 -66.6 -44.9 -33.1 54.5 2.4 118 431 B L H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.824 114.2 43.4 -59.2 -32.6 -32.9 52.6 5.6 119 432 B R H < S+ 0 0 139 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.711 103.0 88.2 -83.5 -23.6 -32.3 55.9 7.4 120 433 B G S < S- 0 0 18 -4,-1.4 -3,-0.1 -5,-0.2 0, 0.0 -0.010 89.5-108.6 -70.1 177.1 -34.9 57.7 5.4 121 434 B P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.467 73.0 125.5 -88.8 -2.3 -38.7 58.1 6.2 122 435 B G + 0 0 33 -5,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.334 31.3 177.4 -62.6 132.5 -39.9 55.8 3.3 123 436 B K + 0 0 176 -2,-0.1 -1,-0.1 4,-0.1 6,-0.0 0.014 19.2 148.2-130.7 30.2 -42.2 53.0 4.5 124 437 B T > - 0 0 103 1,-0.1 4,-3.0 4,-0.1 3,-0.4 -0.344 65.3 -97.8 -57.6 148.7 -43.2 51.1 1.3 125 438 B R H > S+ 0 0 191 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.809 120.0 41.7 -45.2 -54.4 -43.7 47.4 2.1 126 439 B A H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 118.6 45.7 -63.0 -43.8 -40.3 46.1 0.9 127 440 B L H > S+ 0 0 21 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.908 110.1 54.3 -64.8 -44.9 -38.3 49.0 2.4 128 441 B A H X S+ 0 0 22 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.864 108.7 48.6 -59.5 -40.4 -40.2 48.9 5.7 129 442 B Q H X S+ 0 0 52 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.909 109.6 52.6 -64.7 -44.5 -39.4 45.1 6.2 130 443 B S H X S+ 0 0 6 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.894 111.1 46.6 -58.5 -44.3 -35.7 45.7 5.4 131 444 B R H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.909 113.5 48.2 -64.0 -44.4 -35.5 48.5 8.0 132 445 B Q H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.842 109.7 51.7 -68.7 -36.3 -37.3 46.4 10.6 133 446 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.890 109.5 51.3 -65.0 -40.2 -35.1 43.3 10.0 134 447 B A H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.900 111.5 46.8 -62.0 -43.4 -32.0 45.6 10.4 135 448 B M H X S+ 0 0 2 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.881 111.9 51.3 -64.2 -42.0 -33.4 46.9 13.7 136 449 B Y H >X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.5 0.899 107.3 52.5 -61.6 -43.8 -34.2 43.3 14.8 137 450 B L H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.763 101.3 61.1 -67.0 -26.7 -30.7 42.1 14.0 138 451 B C H 3X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 6,-0.5 0.853 107.5 45.3 -64.7 -35.8 -29.2 44.9 16.2 139 452 B R H << S+ 0 0 18 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.843 117.7 43.8 -72.9 -36.1 -31.1 43.4 19.1 140 453 B E H < S+ 0 0 35 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.2 0.838 125.5 29.3 -75.7 -36.8 -29.9 39.9 18.2 141 454 B L H < S+ 0 0 59 -4,-2.5 2,-0.3 -5,-0.1 -3,-0.2 0.627 117.1 45.6-108.3 -19.8 -26.3 40.6 17.4 142 455 B T < - 0 0 7 -4,-1.5 -43,-0.1 -5,-0.3 0, 0.0 -0.774 66.5-133.0-121.1 168.1 -25.3 43.6 19.6 143 456 B D + 0 0 144 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.005 59.6 137.6-105.7 25.8 -25.8 44.7 23.2 144 457 B L - 0 0 53 -6,-0.5 -2,-0.1 1,-0.1 2,-0.0 -0.452 55.2-116.7 -72.7 142.7 -26.9 48.2 22.2 145 458 B S > - 0 0 50 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.287 29.7-104.4 -70.5 164.1 -29.9 49.7 24.1 146 459 B L H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 14,-0.2 0.859 122.0 49.9 -61.6 -40.0 -33.1 50.6 22.2 147 460 B P H > S+ 0 0 73 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.855 111.3 50.1 -65.0 -34.8 -32.3 54.4 22.2 148 461 B K H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.864 112.8 45.5 -70.1 -38.9 -28.8 53.6 20.9 149 462 B I H >X S+ 0 0 1 -4,-2.3 4,-1.0 2,-0.2 3,-0.5 0.922 112.5 51.1 -67.6 -45.6 -30.2 51.4 18.1 150 463 B G H 3X>S+ 0 0 0 -4,-2.5 5,-3.5 1,-0.2 4,-0.6 0.832 104.3 59.9 -58.3 -34.7 -32.9 54.0 17.3 151 464 B Q H 3<5S+ 0 0 148 -4,-1.5 3,-0.4 3,-0.2 -1,-0.2 0.855 100.6 53.7 -61.5 -39.3 -30.1 56.6 17.1 152 465 B A H <<5S+ 0 0 32 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.774 117.0 37.7 -67.2 -28.0 -28.4 54.6 14.3 153 466 B F H <5S- 0 0 0 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.417 112.1-118.8-100.6 -2.5 -31.7 54.7 12.3 154 467 B G T <5S+ 0 0 69 -4,-0.6 2,-0.2 -3,-0.4 -3,-0.2 0.810 76.0 118.3 65.2 32.0 -32.6 58.2 13.4 155 468 B R S > - 0 0 92 -2,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.381 36.9-116.9 -72.4 154.9 -37.3 56.7 18.5 157 470 B H H 3> S+ 0 0 71 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.770 115.3 61.3 -65.7 -26.2 -36.5 53.7 20.8 158 471 B T H 3> S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.706 97.6 59.2 -72.3 -21.5 -40.2 52.6 20.7 159 472 B T H <> S+ 0 0 54 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.852 105.0 48.4 -71.8 -37.9 -39.8 52.2 17.0 160 473 B V H X S+ 0 0 0 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.883 109.6 53.5 -66.7 -40.2 -37.1 49.7 17.5 161 474 B M H X S+ 0 0 88 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.912 109.7 47.2 -58.4 -47.1 -39.3 47.9 20.1 162 475 B Y H X S+ 0 0 142 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.918 112.1 50.8 -59.6 -46.9 -42.1 47.7 17.5 163 476 B A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.907 109.1 49.4 -59.6 -47.9 -39.7 46.4 14.8 164 477 B Q H X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.913 115.4 44.0 -59.6 -45.3 -38.3 43.7 17.1 165 478 B R H X S+ 0 0 112 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.902 114.3 50.2 -65.9 -43.7 -41.8 42.5 18.0 166 479 B K H X S+ 0 0 79 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.932 112.4 45.8 -60.5 -49.5 -43.1 42.7 14.4 167 480 B I H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.890 110.9 52.4 -65.3 -41.4 -40.2 40.7 12.9 168 481 B L H X S+ 0 0 1 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.866 113.3 45.5 -60.1 -37.7 -40.4 38.0 15.6 169 482 B S H X S+ 0 0 32 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.874 112.3 50.4 -71.4 -41.1 -44.1 37.6 14.8 170 483 B E H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 8,-0.3 0.879 107.9 53.6 -63.8 -40.9 -43.4 37.6 11.1 171 484 B M H < S+ 0 0 7 -4,-2.8 7,-0.2 1,-0.2 -1,-0.2 0.816 110.0 48.9 -61.4 -33.2 -40.8 34.9 11.6 172 485 B A H < S+ 0 0 24 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.814 122.1 32.0 -75.0 -32.9 -43.4 32.8 13.4 173 486 B E H < S+ 0 0 146 -4,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.685 114.7 57.6-100.6 -24.1 -46.1 33.3 10.7 174 487 B R X - 0 0 96 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 -0.952 55.9-160.5-122.8 120.5 -44.1 33.5 7.5 175 488 B R H > S+ 0 0 167 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 0.877 94.9 54.8 -57.0 -42.9 -41.6 30.9 6.2 176 489 B E H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.840 107.0 49.2 -65.0 -37.9 -39.9 33.4 3.9 177 490 B V H > S+ 0 0 1 -7,-0.3 4,-2.6 2,-0.2 5,-0.2 0.920 110.1 50.5 -69.4 -45.3 -39.2 35.9 6.7 178 491 B F H X S+ 0 0 13 -4,-1.8 4,-2.2 -8,-0.3 -2,-0.2 0.899 112.8 47.9 -56.5 -43.8 -37.7 33.2 9.0 179 492 B D H X S+ 0 0 65 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.875 111.0 50.5 -65.7 -41.3 -35.4 32.1 6.0 180 493 B H H X S+ 0 0 63 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.941 111.5 47.1 -61.0 -51.1 -34.4 35.7 5.3 181 494 B V H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.943 113.9 47.5 -57.5 -51.0 -33.4 36.4 8.9 182 495 B K H X S+ 0 0 62 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.886 114.3 46.8 -58.3 -43.7 -31.4 33.1 9.2 183 496 B E H X S+ 0 0 76 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.893 111.8 51.4 -65.1 -41.0 -29.6 33.7 5.9 184 497 B L H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.858 108.5 48.3 -69.6 -37.9 -28.8 37.3 6.7 185 498 B T H X S+ 0 0 27 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.802 110.0 54.8 -73.0 -27.6 -27.2 36.6 10.1 186 499 B T H X S+ 0 0 27 -4,-1.3 4,-3.0 -5,-0.2 -2,-0.2 0.920 110.2 45.3 -64.2 -46.1 -25.2 33.8 8.5 187 500 B R H X S+ 0 0 133 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.872 114.0 48.7 -66.5 -39.0 -23.8 36.3 6.0 188 501 B I H < S+ 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.886 113.8 48.6 -63.9 -40.9 -23.2 38.9 8.7 189 502 B R H >< S+ 0 0 99 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.951 109.8 48.7 -63.5 -53.6 -21.4 36.1 10.7 190 503 B Q H 3< S+ 0 0 149 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 98.5 69.8 -63.2 -26.1 -19.2 34.8 7.9 191 504 B R T 3< 0 0 78 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 -0.017 360.0 360.0 -80.9 30.8 -18.1 38.4 7.1 192 505 B S < 0 0 132 -3,-0.9 -1,-0.3 -94,-0.0 0, 0.0 -0.161 360.0 360.0 52.5 360.0 -16.2 38.3 10.4