==== 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 3PVP . 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) . 10443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 74.9 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 64.9 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 5 0 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 85 0, 0.0 2,-0.1 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 92.0 -23.5 21.8 15.8 2 412 A S > - 0 0 54 1,-0.1 4,-1.6 43,-0.1 5,-0.1 -0.468 360.0-133.7 -84.2 154.9 -25.2 18.7 17.1 3 413 A A H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.892 118.7 48.0 -66.4 -40.2 -28.9 18.4 18.1 4 414 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 108.4 53.5 -65.4 -39.4 -27.4 16.6 21.1 5 415 A T H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 110.8 47.2 -59.7 -39.9 -24.9 19.4 21.5 6 416 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.860 110.3 50.8 -75.5 -36.9 -27.8 21.9 21.6 7 417 A M H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.895 111.3 50.0 -63.3 -41.8 -29.8 19.8 24.1 8 418 A A H X S+ 0 0 39 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.924 111.4 46.6 -63.8 -47.1 -26.8 19.6 26.4 9 419 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.850 114.8 48.3 -64.1 -35.0 -26.1 23.4 26.3 10 420 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.902 111.7 49.1 -71.1 -43.0 -29.8 24.0 26.9 11 421 A A H <>S+ 0 0 5 -4,-2.8 5,-2.8 2,-0.2 4,-0.2 0.921 113.5 47.5 -59.6 -45.8 -29.9 21.5 29.8 12 422 A E H ><5S+ 0 0 146 -4,-2.7 3,-1.0 3,-0.2 -2,-0.2 0.926 113.1 47.4 -60.3 -48.9 -26.8 23.2 31.3 13 423 A Y H 3<5S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 117.5 40.6 -64.8 -38.5 -28.2 26.7 30.9 14 424 A F T 3<5S- 0 0 51 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.218 112.7-115.7 -99.5 13.7 -31.6 26.0 32.4 15 425 A D T < 5S+ 0 0 153 -3,-1.0 2,-0.2 -4,-0.2 -3,-0.2 0.922 78.1 103.1 52.3 55.9 -30.2 23.7 35.1 16 426 A T < - 0 0 37 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.726 67.1 -99.0-139.9-166.5 -31.8 20.4 34.0 17 427 A T >> - 0 0 63 -2,-0.2 4,-1.9 -3,-0.1 3,-0.5 -0.839 21.2-119.6-121.0 160.6 -30.6 17.3 32.3 18 428 A V H 3> S+ 0 0 53 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.813 116.0 63.1 -63.1 -30.8 -30.8 15.9 28.7 19 429 A E H 3> S+ 0 0 145 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.837 104.4 44.9 -59.3 -38.5 -32.8 13.0 30.3 20 430 A E H <4 S+ 0 0 98 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.861 112.4 51.1 -75.7 -37.9 -35.5 15.5 31.3 21 431 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.7 41.4 -61.0 -40.2 -35.5 17.2 27.9 22 432 A R H < S+ 0 0 119 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.809 106.6 84.5 -75.7 -32.3 -35.8 13.7 26.4 23 433 A G S < S- 0 0 16 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.0 -0.009 90.1-106.0 -72.3 175.5 -38.4 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 0.490 72.8 123.8 -82.2 -8.5 -42.2 13.1 29.1 25 435 A G + 0 0 27 -5,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.266 31.9 178.4 -60.5 136.8 -42.3 15.7 31.8 26 436 A K + 0 0 176 4,-0.1 2,-0.1 5,-0.0 -1,-0.1 -0.060 20.7 146.3-134.3 38.5 -44.1 19.0 30.9 27 437 A T >> - 0 0 106 1,-0.1 4,-2.8 4,-0.1 3,-0.7 -0.493 66.2 -96.5 -68.7 147.4 -44.0 21.2 34.0 28 438 A R H 3> S+ 0 0 185 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.766 119.8 40.4 -39.0 -59.7 -43.7 24.9 32.9 29 439 A A H 3> S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.875 119.2 45.9 -62.0 -41.8 -40.0 25.4 33.3 30 440 A L H <> S+ 0 0 14 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.928 111.6 52.0 -65.7 -47.4 -39.0 22.0 31.8 31 441 A A H X S+ 0 0 22 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.895 111.3 46.2 -58.6 -44.5 -41.5 22.3 28.9 32 442 A Q H X S+ 0 0 36 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.865 109.9 54.4 -67.9 -38.1 -40.2 25.8 27.9 33 443 A S H X S+ 0 0 9 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.924 110.0 47.4 -57.8 -45.9 -36.6 24.5 28.2 34 444 A R H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 112.5 49.2 -61.5 -45.6 -37.4 21.7 25.8 35 445 A Q H X S+ 0 0 42 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.866 107.6 53.6 -63.9 -40.1 -39.2 24.1 23.4 36 446 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.870 110.1 48.7 -62.3 -37.2 -36.2 26.5 23.4 37 447 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.882 110.3 49.9 -71.0 -39.8 -33.9 23.6 22.4 38 448 A M H X S+ 0 0 3 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.924 112.9 48.1 -61.7 -45.2 -36.3 22.5 19.6 39 449 A Y H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.893 109.0 52.8 -59.6 -43.8 -36.3 26.1 18.4 40 450 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.807 103.5 57.7 -67.7 -28.9 -32.5 26.3 18.5 41 451 A C H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 6,-0.3 0.915 110.5 44.2 -62.3 -43.3 -32.2 23.2 16.5 42 452 A R H < S+ 0 0 57 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 119.0 41.5 -66.5 -42.6 -34.2 24.9 13.7 43 453 A E H < S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.798 124.9 33.3 -78.6 -30.3 -32.4 28.2 13.9 44 454 A L H < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.2 -3,-0.2 0.693 117.7 42.8 -99.5 -22.9 -28.9 26.8 14.3 45 455 A T < - 0 0 11 -4,-1.7 -43,-0.1 -5,-0.3 0, 0.0 -0.747 68.0-128.8-128.8 167.0 -28.9 23.7 12.2 46 456 A D + 0 0 147 -2,-0.2 -4,-0.1 -3,-0.0 -5,-0.1 0.313 61.3 135.3 -96.9 5.7 -30.2 22.3 8.9 47 457 A L - 0 0 49 -6,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.210 56.1-115.0 -59.4 144.5 -31.9 19.3 10.5 48 458 A S > - 0 0 51 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.283 27.0-105.3 -73.6 163.1 -35.4 18.4 9.3 49 459 A L H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 14,-0.1 0.871 122.0 48.6 -57.8 -40.1 -38.5 18.6 11.6 50 460 A P H > S+ 0 0 71 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.867 110.5 49.5 -68.8 -36.1 -38.5 14.7 11.9 51 461 A K H > S+ 0 0 107 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.852 115.1 44.6 -70.3 -35.5 -34.8 14.4 12.7 52 462 A I H >X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 3,-0.6 0.917 111.5 53.8 -68.3 -46.3 -35.2 17.1 15.4 53 463 A G H 3<>S+ 0 0 1 -4,-2.5 5,-4.0 1,-0.2 -2,-0.2 0.792 105.5 55.1 -56.6 -28.8 -38.4 15.4 16.6 54 464 A Q H ><5S+ 0 0 132 -4,-1.4 3,-0.7 3,-0.2 -1,-0.2 0.815 100.5 57.7 -76.9 -32.0 -36.3 12.2 16.9 55 465 A A H <<5S+ 0 0 29 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.779 116.0 35.7 -67.2 -28.7 -33.8 13.8 19.1 56 466 A F T 3<5S- 0 0 0 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.240 111.7-116.4-106.6 10.0 -36.5 14.7 21.6 57 467 A G T < 5S+ 0 0 38 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.899 75.9 124.9 50.5 45.4 -38.6 11.6 21.1 58 468 A R < - 0 0 60 -5,-4.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.913 68.6 -90.5-134.9 159.4 -41.4 13.7 19.7 59 469 A D >> - 0 0 91 -2,-0.3 3,-1.4 1,-0.1 4,-1.4 -0.386 36.4-121.4 -66.2 142.3 -43.6 14.2 16.6 60 470 A H H 3> S+ 0 0 76 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.772 114.4 57.7 -57.5 -28.1 -42.3 16.5 14.0 61 471 A T H 3> S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.763 99.5 57.7 -74.0 -27.0 -45.4 18.6 14.4 62 472 A T H <> S+ 0 0 59 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.895 106.3 50.1 -65.6 -40.7 -44.6 19.1 18.1 63 473 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.908 108.7 52.1 -59.7 -45.0 -41.3 20.6 16.9 64 474 A M H X S+ 0 0 97 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.886 109.7 49.1 -58.9 -43.3 -43.2 22.9 14.5 65 475 A Y H X S+ 0 0 129 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.929 109.0 52.0 -62.0 -49.2 -45.4 24.1 17.4 66 476 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.884 107.6 53.3 -53.8 -43.1 -42.4 24.7 19.6 67 477 A Q H X S+ 0 0 30 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.933 113.9 41.1 -60.1 -47.9 -40.8 26.8 16.8 68 478 A R H X S+ 0 0 131 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.899 116.0 52.1 -64.6 -41.5 -43.9 29.0 16.5 69 479 A K H X S+ 0 0 79 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.925 109.7 45.4 -62.9 -50.2 -44.4 29.1 20.3 70 480 A I H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.876 110.4 53.4 -67.2 -39.0 -40.9 30.3 21.2 71 481 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.888 111.8 47.7 -59.3 -38.8 -40.8 33.0 18.5 72 482 A S H X S+ 0 0 50 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.860 110.6 49.6 -71.4 -38.9 -44.0 34.3 19.9 73 483 A E H X S+ 0 0 56 -4,-2.2 4,-2.7 2,-0.2 7,-0.3 0.861 108.6 53.1 -69.5 -34.5 -42.8 34.2 23.5 74 484 A M H < S+ 0 0 2 -4,-2.3 7,-0.3 2,-0.2 -1,-0.2 0.859 108.6 51.5 -65.8 -35.5 -39.6 36.1 22.5 75 485 A A H < S+ 0 0 10 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.893 118.8 35.5 -65.2 -42.6 -41.8 38.7 20.9 76 486 A E H < S+ 0 0 78 -4,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.766 120.4 47.8 -84.9 -28.2 -43.9 39.1 24.1 77 487 A R >X - 0 0 94 -4,-2.7 4,-2.1 -5,-0.1 3,-0.5 -0.937 53.5-166.7-127.3 113.5 -41.2 38.6 26.7 78 488 A R H 3> S+ 0 0 110 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.803 93.5 62.3 -59.2 -29.9 -37.8 40.3 26.7 79 489 A E H 3> S+ 0 0 90 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.868 106.1 42.6 -66.2 -40.1 -36.7 37.8 29.3 80 490 A V H <> S+ 0 0 3 -3,-0.5 4,-2.7 -7,-0.3 5,-0.2 0.909 114.8 51.1 -72.0 -44.2 -37.2 34.8 27.0 81 491 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 -7,-0.3 -2,-0.2 0.939 111.3 47.7 -55.9 -50.9 -35.6 36.7 24.1 82 492 A D H X S+ 0 0 58 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.802 112.6 49.3 -64.2 -32.5 -32.5 37.6 26.3 83 493 A H H X S+ 0 0 83 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.945 113.6 44.5 -69.3 -51.0 -32.2 34.0 27.5 84 494 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.921 112.9 52.7 -58.6 -45.4 -32.4 32.5 24.0 85 495 A K H X S+ 0 0 16 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.879 112.9 44.6 -56.8 -41.6 -30.0 35.1 22.7 86 496 A E H X S+ 0 0 73 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.895 111.6 50.8 -72.1 -43.1 -27.5 34.2 25.4 87 497 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.939 109.8 52.3 -58.8 -47.9 -27.9 30.5 25.0 88 498 A T H X S+ 0 0 7 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.940 108.2 50.7 -50.1 -55.4 -27.2 30.9 21.3 89 499 A T H X S+ 0 0 79 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.908 112.2 46.8 -49.8 -50.1 -24.1 32.9 22.0 90 500 A R H X S+ 0 0 124 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.844 112.9 49.5 -63.4 -37.6 -22.8 30.2 24.3 91 501 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.923 112.5 45.5 -69.1 -47.7 -23.6 27.4 21.8 92 502 A R H < S+ 0 0 65 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.878 114.0 52.0 -61.5 -37.7 -21.9 29.1 18.9 93 503 A Q H >< S+ 0 0 150 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.886 107.6 52.2 -63.4 -40.2 -19.0 29.8 21.2 94 504 A R H 3< S+ 0 0 124 -4,-1.9 2,-1.3 1,-0.3 -2,-0.2 0.887 100.2 59.6 -67.7 -43.0 -18.8 26.1 22.3 95 505 A S T 3< 0 0 55 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 -0.265 360.0 360.0 -85.7 51.0 -18.6 24.6 18.8 96 506 A K < 0 0 124 -2,-1.3 -1,-0.2 -3,-0.5 0, 0.0 -0.200 360.0 360.0 47.8 360.0 -15.4 26.5 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 0 110 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.6 -20.4 44.1 15.8 99 412 B S > - 0 0 50 1,-0.1 4,-1.9 43,-0.1 5,-0.1 -0.641 360.0-115.5-110.4 164.5 -22.1 47.5 15.2 100 413 B A H > S+ 0 0 9 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.840 117.2 57.2 -61.2 -35.2 -25.4 48.9 14.0 101 414 B A H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 106.6 46.6 -64.5 -45.3 -23.6 50.3 11.0 102 415 B T H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 114.9 47.6 -61.0 -45.0 -22.2 46.9 9.9 103 416 B I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.904 111.2 50.0 -64.9 -44.1 -25.7 45.4 10.4 104 417 B M H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.899 112.9 47.9 -61.0 -41.8 -27.4 48.2 8.5 105 418 B A H X S+ 0 0 44 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 111.2 49.1 -65.6 -45.5 -24.9 47.8 5.6 106 419 B A H X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.819 113.5 48.5 -64.7 -31.5 -25.3 44.0 5.5 107 420 B T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.906 109.6 50.2 -74.2 -44.9 -29.1 44.4 5.4 108 421 B A H <>S+ 0 0 4 -4,-2.5 5,-3.1 1,-0.2 4,-0.3 0.914 114.4 46.3 -57.6 -44.6 -29.1 47.0 2.7 109 422 B E H ><5S+ 0 0 133 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.934 111.6 50.7 -62.2 -48.8 -26.8 44.7 0.6 110 423 B Y H 3<5S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.874 118.3 36.5 -60.2 -41.9 -29.0 41.6 1.3 111 424 B F T 3<5S- 0 0 42 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.277 113.8-113.4 -97.3 10.2 -32.3 43.3 0.3 112 425 B D T < 5S+ 0 0 151 -3,-1.1 2,-0.2 -4,-0.3 -3,-0.2 0.963 77.1 109.6 55.4 60.2 -30.7 45.4 -2.6 113 426 B T < - 0 0 36 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.767 65.7 -93.3-142.0-171.3 -31.3 48.8 -1.0 114 427 B T > - 0 0 68 -2,-0.2 4,-1.4 1,-0.1 3,-0.3 -0.827 16.4-130.6-113.7 152.6 -29.2 51.6 0.4 115 428 B V H > S+ 0 0 39 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.878 112.4 61.1 -60.4 -36.0 -28.1 52.5 4.0 116 429 B E H > S+ 0 0 117 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.820 104.0 47.2 -61.1 -35.5 -29.3 56.0 3.2 117 430 B E H 4 S+ 0 0 96 -3,-0.3 5,-0.3 2,-0.2 -1,-0.2 0.757 106.7 57.1 -78.8 -26.8 -32.9 54.6 2.5 118 431 B L H < S+ 0 0 0 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.860 112.6 41.5 -67.2 -36.7 -32.8 52.6 5.7 119 432 B R H < S+ 0 0 136 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.723 104.8 91.2 -78.1 -24.4 -32.1 55.9 7.6 120 433 B G S < S- 0 0 18 -4,-0.9 -3,-0.1 -5,-0.2 0, 0.0 -0.042 89.2-110.0 -69.3 173.3 -34.7 57.7 5.4 121 434 B P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.336 73.8 122.6 -90.5 7.3 -38.4 58.2 6.1 122 435 B G + 0 0 31 -5,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.536 32.6 177.7 -75.7 130.8 -39.7 55.8 3.4 123 436 B K + 0 0 172 -2,-0.3 -1,-0.1 4,-0.1 6,-0.0 -0.041 17.4 152.5-126.5 34.1 -41.9 53.0 4.5 124 437 B T >> - 0 0 97 1,-0.1 4,-2.6 4,-0.1 3,-0.7 -0.361 63.9 -98.1 -60.2 144.3 -42.9 51.1 1.4 125 438 B R H 3> S+ 0 0 193 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.766 121.5 41.3 -38.7 -52.0 -43.6 47.5 2.2 126 439 B A H 3> S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.903 117.2 46.6 -66.4 -44.4 -40.2 46.2 1.1 127 440 B L H <> S+ 0 0 15 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.929 110.7 53.5 -63.2 -46.7 -38.1 49.0 2.5 128 441 B A H X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.885 109.0 48.6 -55.5 -45.3 -40.0 48.9 5.9 129 442 B Q H X S+ 0 0 50 -4,-1.8 4,-3.0 -5,-0.3 5,-0.2 0.925 110.4 51.6 -61.4 -47.0 -39.4 45.2 6.3 130 443 B S H X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.926 112.6 45.3 -55.4 -49.7 -35.7 45.7 5.5 131 444 B R H X S+ 0 0 12 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.901 114.1 48.8 -60.9 -44.5 -35.4 48.4 8.1 132 445 B Q H X S+ 0 0 43 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.896 110.1 50.5 -65.6 -42.2 -37.3 46.4 10.7 133 446 B I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.881 110.1 51.9 -61.7 -38.9 -35.2 43.3 10.1 134 447 B A H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.890 110.6 46.8 -63.4 -41.7 -32.1 45.5 10.6 135 448 B M H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 3,-0.4 0.911 111.3 52.8 -65.8 -43.8 -33.5 46.8 13.9 136 449 B Y H X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 3,-0.4 0.912 106.9 51.5 -53.8 -47.8 -34.3 43.3 14.9 137 450 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.728 102.0 60.8 -69.3 -23.1 -30.8 42.1 14.2 138 451 B C H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.4 6,-0.4 0.891 107.7 44.9 -65.2 -41.0 -29.4 44.9 16.3 139 452 B R H < S+ 0 0 5 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.860 118.7 43.2 -69.6 -37.4 -31.2 43.4 19.3 140 453 B E H < S+ 0 0 22 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.852 125.0 31.3 -74.2 -36.6 -30.1 39.9 18.4 141 454 B L H < S+ 0 0 50 -4,-2.4 2,-0.3 -5,-0.1 -2,-0.2 0.506 118.0 41.1-110.1 -8.8 -26.5 40.7 17.6 142 455 B T < - 0 0 6 -4,-1.7 -43,-0.1 -5,-0.2 0, 0.0 -0.846 65.8-131.5-131.6 172.0 -25.5 43.6 19.8 143 456 B D + 0 0 149 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.043 58.8 139.7-109.3 23.3 -26.1 44.8 23.4 144 457 B L - 0 0 55 -6,-0.4 -2,-0.1 1,-0.1 -3,-0.0 -0.418 55.1-115.2 -66.3 138.8 -27.1 48.3 22.3 145 458 B S > - 0 0 55 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.264 28.9-105.1 -67.4 161.7 -30.0 49.9 24.2 146 459 B L H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 122.9 49.7 -57.5 -42.9 -33.3 50.6 22.4 147 460 B P H > S+ 0 0 77 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.842 109.6 52.7 -65.0 -32.0 -32.5 54.4 22.3 148 461 B K H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.913 112.0 44.0 -66.6 -45.7 -29.0 53.6 20.9 149 462 B I H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 5,-0.2 0.917 111.4 54.0 -64.2 -44.9 -30.4 51.5 18.1 150 463 B G H X>S+ 0 0 1 -4,-2.5 5,-3.5 1,-0.2 4,-0.7 0.799 105.7 56.1 -57.0 -29.8 -33.1 54.1 17.5 151 464 B Q H ><5S+ 0 0 140 -4,-1.1 3,-0.6 3,-0.2 -1,-0.2 0.901 101.6 54.1 -69.1 -43.9 -30.2 56.5 17.2 152 465 B A H 3<5S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.754 119.2 35.3 -61.6 -25.8 -28.5 54.5 14.4 153 466 B F H 3<5S- 0 0 0 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.454 110.0-117.2-106.4 -6.1 -31.8 54.7 12.4 154 467 B G T <<5S+ 0 0 64 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.949 74.5 118.5 62.7 50.9 -33.0 58.1 13.4 155 468 B R S > - 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0 0 103 -4,-3.5 4,-2.0 1,-0.2 5,-0.2 -0.946 56.9-158.9-119.9 119.7 -44.1 33.5 7.5 175 488 B R H > S+ 0 0 173 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.898 96.3 55.0 -53.5 -43.8 -41.7 30.8 6.2 176 489 B E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 107.2 47.5 -62.1 -44.1 -40.0 33.4 4.0 177 490 B V H > S+ 0 0 2 -7,-0.3 4,-2.6 2,-0.2 5,-0.2 0.926 110.2 52.3 -65.5 -45.0 -39.2 35.9 6.7 178 491 B F H X S+ 0 0 13 -4,-2.0 4,-2.2 -8,-0.3 -2,-0.2 0.910 112.4 46.6 -55.5 -44.9 -37.8 33.2 9.0 179 492 B D H X S+ 0 0 64 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.881 110.6 51.7 -66.9 -41.4 -35.5 32.0 6.2 180 493 B H H X S+ 0 0 63 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.941 111.1 47.4 -59.1 -49.9 -34.4 35.6 5.4 181 494 B V H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.942 114.1 46.7 -59.2 -49.7 -33.4 36.4 9.0 182 495 B K H X S+ 0 0 61 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.915 115.9 45.6 -57.3 -46.5 -31.5 33.1 9.4 183 496 B E H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.887 113.5 48.9 -65.8 -42.1 -29.7 33.6 6.0 184 497 B L H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.877 110.4 50.1 -67.0 -38.8 -28.9 37.2 6.8 185 498 B T H X S+ 0 0 24 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.866 109.4 53.1 -68.4 -34.9 -27.5 36.4 10.2 186 499 B T H X S+ 0 0 25 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.931 109.3 48.5 -59.5 -48.1 -25.4 33.7 8.6 187 500 B R H X S+ 0 0 126 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.921 110.5 49.9 -60.1 -47.0 -24.0 36.2 6.1 188 501 B I H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.2 49.1 -56.6 -40.1 -23.2 38.8 8.9 189 502 B R H >< S+ 0 0 102 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.942 109.3 48.7 -66.4 -51.0 -21.5 36.0 10.8 190 503 B Q H 3< S+ 0 0 146 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 98.1 68.0 -62.6 -33.5 -19.3 34.7 7.9 191 504 B R T 3< 0 0 193 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.161 360.0 360.0 -69.7 21.7 -18.2 38.2 7.1 192 505 B S < 0 0 141 -3,-1.0 -1,-0.3 -5,-0.1 0, 0.0 -0.174 360.0 360.0 45.2 360.0 -16.4 37.8 10.5