==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-FEB-07 2EC5 . COMPND 2 MOLECULE: DERMONECROTIC TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR K.KITADOKORO,Y.HORIGUCHI,S.KAMITANI . 1422 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 878 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 7.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 4 0.3 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 . 85 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 461 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.8 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 8 7 2 3 5 2 6 3 0 7 5 3 0 2 0 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 1 5 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 . 7 3 4 8 0 0 0 2 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 4 2 2 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 1 575 A L 0 0 105 0, 0.0 125,-0.1 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0 -80.8 6.7 1.6 59.0 2 576 A G + 0 0 5 534,-0.1 2,-0.2 123,-0.1 535,-0.1 0.648 360.0 134.2-164.2 159.4 7.2 1.9 62.0 3 577 A G + 0 0 43 1,-0.2 533,-0.1 533,-0.1 -1,-0.0 -0.872 35.4 62.3-165.9 145.3 6.6 2.7 65.7 4 578 A S S S- 0 0 84 -2,-0.2 534,-0.3 3,-0.1 -1,-0.2 0.800 79.3 -75.6-178.9 165.7 6.9 1.9 68.6 5 579 A P S S+ 0 0 89 0, 0.0 532,-0.1 0, 0.0 5,-0.1 -0.859 122.5 41.4-101.0 17.3 9.1 1.3 70.8 6 580 A Y S S+ 0 0 55 530,-0.2 531,-0.1 699,-0.1 700,-0.1 0.541 90.2 107.2 -97.9 -10.7 10.4 -2.2 69.8 7 581 A S > - 0 0 1 529,-0.3 3,-0.8 1,-0.1 699,-0.2 -0.372 69.8-138.7 -64.9 142.4 10.4 -1.3 66.1 8 582 A P T 3 S+ 0 0 14 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.620 102.0 58.3 -75.1 -13.0 13.8 -0.7 64.4 9 583 A F T 3 + 0 0 3 1,-0.2 -2,-0.1 527,-0.1 -3,-0.0 -0.071 65.3 113.1-108.2 31.1 12.4 2.2 62.5 10 584 A R S < S- 0 0 53 -3,-0.8 -1,-0.2 -5,-0.1 84,-0.1 0.683 71.8-140.3 -75.3 -16.6 11.3 4.3 65.6 11 585 A I - 0 0 7 -3,-0.3 83,-0.1 82,-0.2 -2,-0.1 0.946 30.6-164.9 57.1 52.2 13.9 6.9 64.6 12 586 A G - 0 0 14 81,-0.2 -1,-0.1 695,-0.1 3,-0.1 -0.118 25.1-152.4 -69.1 165.6 14.8 7.4 68.3 13 587 A L > + 0 0 28 1,-0.1 3,-2.6 2,-0.1 -1,-0.1 0.367 64.8 106.2-120.9 0.9 16.8 10.3 69.7 14 588 A E T 3 S+ 0 0 67 1,-0.3 -1,-0.1 79,-0.1 694,-0.1 0.753 89.0 44.9 -59.1 -24.3 18.5 8.8 72.8 15 589 A G T 3 S+ 0 0 20 696,-0.2 2,-0.5 74,-0.1 -1,-0.3 0.224 96.5 88.1-103.1 12.0 21.8 8.7 71.0 16 590 A V S < S- 0 0 6 -3,-2.6 70,-0.1 74,-0.1 -3,-0.0 -0.959 80.4-118.4-115.1 122.9 21.5 12.2 69.5 17 591 A W - 0 0 25 -2,-0.5 -2,-0.1 1,-0.1 3,-0.0 -0.041 23.1-126.5 -48.5 152.2 22.9 15.2 71.5 18 592 A T > - 0 0 54 1,-0.1 4,-2.3 30,-0.0 3,-0.4 -0.650 32.1-102.7 -90.3 160.2 20.5 17.9 72.5 19 593 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.932 126.3 57.5 -47.1 -45.9 21.4 21.5 71.6 20 594 A E H > S+ 0 0 152 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.889 108.1 44.8 -49.5 -46.5 22.4 21.9 75.2 21 595 A V H > S+ 0 0 48 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.852 109.7 55.6 -72.1 -32.4 24.9 19.0 74.9 22 596 A L H X S+ 0 0 0 -4,-2.3 4,-4.7 1,-0.2 5,-0.4 0.937 102.6 56.3 -62.6 -47.4 26.3 20.3 71.5 23 597 A K H < S+ 0 0 104 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.833 111.3 43.0 -56.6 -37.1 27.1 23.7 73.1 24 598 A A H < S+ 0 0 72 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.887 121.3 41.3 -72.5 -40.1 29.3 21.9 75.7 25 599 A R H < S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.851 119.0 42.6 -77.1 -38.8 30.8 19.6 73.2 26 600 A A S < S+ 0 0 3 -4,-4.7 -1,-0.2 -5,-0.2 -3,-0.2 0.418 86.1 136.7 -89.3 -0.1 31.3 22.1 70.3 27 601 A S - 0 0 84 -5,-0.4 2,-0.4 -4,-0.3 -3,-0.1 -0.189 29.7-178.3 -47.7 128.2 32.6 24.7 72.8 28 602 A V > - 0 0 31 3,-0.4 3,-1.1 51,-0.0 -2,-0.0 -0.965 30.9-114.3-135.3 122.5 35.6 26.7 71.7 29 603 A I T 3 S+ 0 0 163 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.242 95.4 6.5 -57.7 130.0 37.2 29.3 74.0 30 604 A G T 3 S+ 0 0 73 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.082 104.6 103.3 91.1 -33.6 37.0 32.9 72.7 31 605 A K < - 0 0 136 -3,-1.1 -3,-0.4 1,-0.0 -1,-0.1 -0.761 57.8-153.2 -96.5 115.3 34.8 32.1 69.7 32 606 A P - 0 0 103 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.244 39.7 -73.4 -75.5 167.0 31.0 32.9 70.0 33 607 A I - 0 0 80 4,-0.1 2,-0.1 3,-0.1 0, 0.0 -0.504 55.3-159.8 -63.4 111.2 28.2 31.2 68.1 34 608 A G > - 0 0 27 -2,-0.5 4,-1.9 -3,-0.1 3,-0.2 -0.347 34.7 -90.5 -85.5 174.2 28.4 32.3 64.5 35 609 A E H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.850 123.5 52.7 -54.6 -42.8 25.5 32.2 61.9 36 610 A S H > S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.903 110.9 46.5 -61.4 -45.1 26.4 28.7 60.6 37 611 A Y H > S+ 0 0 11 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.851 108.5 57.5 -64.6 -39.5 26.4 27.2 64.1 38 612 A K H X S+ 0 0 127 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.893 105.6 48.2 -59.8 -45.3 23.1 28.9 65.0 39 613 A R H X S+ 0 0 155 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.819 112.3 51.0 -68.1 -31.1 21.2 27.3 62.0 40 614 A I H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.899 111.4 45.9 -71.8 -44.5 22.6 23.9 63.1 41 615 A L H X S+ 0 0 16 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.925 112.6 51.5 -65.2 -43.5 21.5 24.4 66.7 42 616 A A H X S+ 0 0 57 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.926 111.0 48.0 -56.3 -45.7 18.1 25.6 65.5 43 617 A K H X S+ 0 0 40 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.890 109.9 51.6 -66.1 -40.8 17.8 22.5 63.3 44 618 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.897 107.2 54.7 -59.8 -42.9 18.8 20.2 66.1 45 619 A Q H X S+ 0 0 89 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.938 107.3 48.9 -57.5 -48.9 16.1 21.8 68.3 46 620 A R H < S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.834 107.2 57.9 -58.5 -34.9 13.5 21.0 65.7 47 621 A I H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.949 108.8 43.3 -61.5 -47.9 14.8 17.5 65.6 48 622 A H H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.745 114.4 51.2 -72.9 -20.9 14.2 16.9 69.3 49 623 A N T 3< S+ 0 0 110 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.3 0.250 85.5 109.9 -96.0 11.8 10.7 18.7 69.1 50 624 A S < + 0 0 9 -3,-1.3 6,-0.0 1,-0.2 -3,-0.0 -0.791 34.9 170.5 -97.0 114.1 9.6 16.5 66.2 51 625 A N + 0 0 141 -2,-0.7 2,-0.7 1,-0.0 -1,-0.2 0.717 59.3 81.4 -95.3 -23.8 6.8 14.0 67.0 52 626 A I S >> S- 0 0 98 1,-0.1 4,-2.2 2,-0.0 3,-0.6 -0.791 73.7-148.0 -86.6 116.3 6.0 12.8 63.5 53 627 A L H 3> S+ 0 0 50 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.815 92.9 52.5 -54.6 -42.7 8.6 10.2 62.7 54 628 A D H 3> S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.850 112.4 46.3 -66.6 -34.8 8.7 10.9 58.9 55 629 A E H <> S+ 0 0 91 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.893 109.5 54.8 -71.1 -41.1 9.3 14.6 59.5 56 630 A R H X S+ 0 0 30 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 110.1 44.6 -59.2 -49.2 11.9 14.0 62.1 57 631 A Q H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.884 112.0 53.6 -64.7 -40.3 14.0 11.8 59.8 58 632 A G H X S+ 0 0 4 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.916 110.8 47.0 -54.8 -45.1 13.6 14.3 57.0 59 633 A L H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.853 108.4 54.9 -68.1 -36.9 14.9 17.0 59.4 60 634 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.883 107.2 50.3 -64.5 -39.6 17.8 14.8 60.4 61 635 A H H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.908 109.0 53.3 -62.8 -39.3 18.7 14.5 56.8 62 636 A E H X S+ 0 0 56 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.910 106.7 51.1 -59.6 -42.3 18.5 18.3 56.6 63 637 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.913 104.4 58.9 -63.2 -40.5 20.9 18.7 59.5 64 638 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.898 104.6 49.3 -56.1 -45.4 23.4 16.4 57.8 65 639 A E H X S+ 0 0 15 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.943 108.7 53.1 -57.0 -47.8 23.6 18.6 54.8 66 640 A L H X S+ 0 0 50 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.910 111.7 45.5 -55.5 -45.2 24.2 21.7 57.1 67 641 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.912 111.8 52.7 -63.7 -43.5 27.0 19.8 58.7 68 642 A D H X S+ 0 0 40 -4,-2.9 4,-3.0 -5,-0.2 -2,-0.2 0.960 110.7 46.7 -53.9 -53.4 28.3 18.8 55.3 69 643 A L H X S+ 0 0 76 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.836 112.4 50.1 -60.6 -36.0 28.3 22.4 54.1 70 644 A Y H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.932 113.2 46.2 -67.5 -46.0 30.0 23.6 57.3 71 645 A E H < S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.926 113.7 49.4 -59.2 -48.0 32.7 20.9 56.9 72 646 A E H < S+ 0 0 126 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.903 124.7 26.8 -58.6 -44.9 33.1 21.7 53.2 73 647 A S H < S+ 0 0 63 -4,-2.2 1293,-0.3 1,-0.2 -2,-0.2 0.536 127.3 39.3-106.2 -11.4 33.5 25.5 53.7 74 648 A Q >< + 0 0 63 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.2 -0.456 68.3 153.9-133.7 62.9 34.9 25.9 57.3 75 649 A P T 3 + 0 0 26 0, 0.0 1292,-0.1 0, 0.0 -1,-0.1 0.690 66.6 53.7 -76.8 -22.8 37.3 23.0 57.4 76 650 A S T 3 S+ 0 0 42 1290,-0.4 2,-0.2 -3,-0.1 1292,-0.1 0.251 80.9 127.2 -93.0 11.6 39.8 24.4 60.0 77 651 A S X - 0 0 27 -3,-1.3 3,-1.1 -7,-0.2 4,-0.2 -0.455 58.7-144.4 -71.9 138.4 37.0 25.0 62.6 78 652 A E T 3 S+ 0 0 130 1,-0.2 4,-0.5 -2,-0.2 3,-0.5 0.674 98.1 73.3 -71.2 -19.7 37.4 23.6 66.1 79 653 A R T 3> S+ 0 0 30 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.596 81.1 82.4 -66.3 -6.6 33.6 23.0 66.1 80 654 A L H <> S+ 0 0 5 -3,-1.1 4,-2.9 2,-0.2 5,-0.2 0.886 78.3 55.2 -73.5 -46.9 34.3 20.1 63.6 81 655 A N H > S+ 0 0 133 -3,-0.5 4,-1.6 -4,-0.2 -1,-0.2 0.923 115.6 43.7 -51.1 -43.5 35.3 17.2 65.8 82 656 A A H > S+ 0 0 8 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.961 112.8 49.7 -66.4 -52.4 32.0 17.7 67.6 83 657 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.813 108.2 55.7 -57.1 -34.8 29.9 18.3 64.5 84 658 A R H X S+ 0 0 99 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.936 107.7 47.3 -63.4 -46.7 31.4 15.1 63.0 85 659 A E H X S+ 0 0 93 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.931 110.3 54.1 -57.6 -46.4 30.2 13.0 66.0 86 660 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 108.2 49.1 -54.2 -44.8 26.8 14.7 65.7 87 661 A R H X S+ 0 0 27 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.942 110.2 50.0 -61.6 -49.4 26.6 13.6 62.0 88 662 A T H X S+ 0 0 62 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.838 109.8 53.0 -54.3 -36.4 27.6 10.0 62.9 89 663 A Q H X S+ 0 0 12 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.939 109.5 47.3 -65.0 -45.7 24.9 10.1 65.6 90 664 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.871 113.3 49.1 -65.3 -36.7 22.3 11.2 63.1 91 665 A E H X S+ 0 0 33 -4,-2.5 4,-3.3 1,-0.2 3,-0.4 0.919 110.3 49.6 -65.4 -47.1 23.4 8.4 60.7 92 666 A K H < S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.662 108.7 55.0 -67.6 -19.7 23.3 5.7 63.4 93 667 A A H < S+ 0 0 19 -4,-1.2 -1,-0.2 -5,-0.1 -82,-0.2 0.761 119.2 30.4 -85.4 -27.1 19.8 6.8 64.3 94 668 A L H < S+ 0 0 2 -4,-1.1 2,-0.6 -3,-0.4 -2,-0.2 0.828 119.4 51.6 -95.0 -40.9 18.4 6.5 60.8 95 669 A Y S < S- 0 0 7 -4,-3.3 -1,-0.2 -5,-0.2 5,-0.1 -0.879 74.6-144.6-110.2 120.8 20.6 3.6 59.4 96 670 A L > - 0 0 26 -2,-0.6 3,-2.5 -3,-0.1 4,-0.2 -0.325 33.9-100.9 -75.0 159.2 20.9 0.4 61.3 97 671 A P G > S+ 0 0 72 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.853 126.5 48.6 -47.7 -38.2 24.3 -1.5 61.3 98 672 A E G 3 S+ 0 0 69 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.316 98.5 69.4 -88.8 10.7 22.8 -3.9 58.7 99 673 A M G <> + 0 0 5 -3,-2.5 4,-2.7 1,-0.1 3,-0.4 0.311 65.9 116.3-101.3 7.4 21.6 -1.0 56.6 100 674 A E H <> S+ 0 0 99 -3,-1.0 4,-1.9 1,-0.3 -1,-0.1 0.799 76.1 42.2 -44.3 -49.2 25.2 -0.1 55.7 101 675 A A H > S+ 0 0 16 2,-0.2 4,-1.8 421,-0.2 -1,-0.3 0.868 114.1 51.9 -71.5 -37.4 25.0 -0.6 52.0 102 676 A L H > S+ 0 0 6 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.902 109.9 51.3 -63.7 -43.3 21.6 1.0 51.8 103 677 A K H X S+ 0 0 22 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.912 106.8 51.3 -56.0 -50.2 23.0 4.1 53.6 104 678 A K H X S+ 0 0 126 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.903 111.1 49.8 -61.3 -39.9 26.0 4.4 51.3 105 679 A Q H < S+ 0 0 7 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.908 117.3 39.6 -63.3 -44.1 23.7 4.4 48.3 106 680 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.935 116.2 46.3 -75.0 -46.8 21.4 7.0 49.8 107 681 A L H 3< S+ 0 0 24 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.565 96.8 76.2 -79.0 -6.6 23.9 9.4 51.4 108 682 A Q T 3< S+ 0 0 94 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.774 76.7 93.9 -63.4 -31.1 26.0 9.3 48.2 109 683 A I S < S- 0 0 5 -3,-1.4 41,-0.1 -4,-0.3 8,-0.1 -0.467 85.5-116.4 -71.6 129.5 23.4 11.6 46.7 110 684 A P S S+ 0 0 40 0, 0.0 4,-0.1 0, 0.0 41,-0.1 -0.261 91.6 35.6 -62.3 157.1 24.3 15.3 46.9 111 685 A N > - 0 0 23 1,-0.1 3,-2.3 2,-0.1 5,-0.4 0.992 64.0-166.5 65.1 68.1 22.0 17.5 49.0 112 686 A K T 3 S+ 0 0 27 1,-0.3 3,-0.3 2,-0.1 6,-0.3 0.678 88.1 51.2 -57.9 -18.1 21.0 15.2 51.8 113 687 A G T 3 S+ 0 0 6 -51,-0.2 -1,-0.3 1,-0.2 -51,-0.1 0.219 79.9 94.2-106.9 11.8 18.3 17.8 52.8 114 688 A S S < S- 0 0 3 -3,-2.3 171,-0.3 -4,-0.1 -1,-0.2 0.664 104.6-105.9 -74.7 -18.7 16.8 18.1 49.3 115 689 A G S > S+ 0 0 16 -3,-0.3 4,-2.4 -4,-0.3 5,-0.1 0.201 99.2 101.5 107.0 -12.9 14.2 15.4 50.2 116 690 A A H > S+ 0 0 0 -5,-0.4 4,-2.4 2,-0.2 5,-0.2 0.984 86.1 43.2 -63.6 -56.7 15.7 12.6 48.1 117 691 A A H > S+ 0 0 3 -6,-0.3 4,-2.2 1,-0.2 5,-0.2 0.870 114.5 52.6 -56.9 -40.9 17.3 10.9 51.1 118 692 A R H > S+ 0 0 75 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.972 112.2 44.2 -55.0 -55.9 14.1 11.5 53.1 119 693 A F H X S+ 0 0 9 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.857 114.2 50.2 -59.7 -36.7 12.0 9.9 50.4 120 694 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.870 108.5 49.0 -79.6 -37.8 14.4 7.0 49.9 121 695 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.931 110.2 52.4 -61.1 -48.6 14.8 5.9 53.5 122 696 A R H X S+ 0 0 73 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.920 112.9 45.8 -52.3 -46.4 11.0 6.0 54.0 123 697 A T H X S+ 0 0 9 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.916 112.6 50.1 -62.8 -45.6 10.8 3.7 50.9 124 698 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.918 111.5 47.1 -62.6 -45.3 13.6 1.5 52.2 125 699 A M H X S+ 0 0 7 -4,-3.4 4,-2.7 1,-0.2 6,-0.2 0.931 111.6 50.4 -62.1 -47.2 12.0 1.0 55.7 126 700 A N H <>S+ 0 0 27 -4,-2.2 5,-1.9 -5,-0.3 6,-0.4 0.853 113.5 47.4 -58.2 -35.4 8.6 0.3 54.2 127 701 A E H ><5S+ 0 0 3 -4,-1.9 3,-2.2 2,-0.2 5,-0.3 0.950 110.8 49.0 -73.0 -50.5 10.3 -2.3 51.9 128 702 A M H 3<5S+ 0 0 7 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.867 106.5 58.2 -54.6 -38.5 12.3 -3.9 54.7 129 703 A A T 3<5S- 0 0 15 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.573 112.7-124.2 -68.1 -8.4 9.1 -4.1 56.8 130 704 A G T < 5S+ 0 0 49 -3,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.614 78.9 125.3 73.3 13.3 7.7 -6.2 53.9 131 705 A K S + 0 0 1 -2,-0.2 4,-2.5 -3,-0.1 5,-0.2 0.510 42.3 83.9-147.1 -33.3 11.2 -0.5 44.6 136 710 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 90.2 51.3 -54.5 -56.0 14.1 1.2 46.6 137 711 A A H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 115.1 43.3 -49.2 -49.5 17.0 -0.1 44.5 138 712 A D H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 110.7 54.0 -65.6 -42.7 15.5 1.1 41.2 139 713 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.873 106.8 54.1 -59.3 -36.3 14.3 4.5 42.7 140 714 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.857 106.6 51.2 -62.3 -37.4 18.0 4.9 43.8 141 715 A R H X S+ 0 0 42 -4,-1.4 4,-0.8 -5,-0.2 -2,-0.2 0.879 110.5 49.0 -69.9 -36.2 19.0 4.3 40.2 142 716 A F H >X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 3,-1.0 0.970 111.6 49.4 -62.6 -53.8 16.5 6.9 39.1 143 717 A A H 3< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.870 107.2 55.6 -48.3 -45.1 17.9 9.4 41.7 144 718 A L H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.665 115.4 34.6 -72.4 -20.8 21.5 8.9 40.7 145 719 A Q H << S+ 0 0 26 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.421 86.8 115.4-111.2 -6.0 21.1 9.8 37.0 146 720 A D X - 0 0 1 -4,-1.1 4,-1.6 -3,-0.5 1189,-0.7 -0.471 66.2-135.6 -68.8 137.7 18.4 12.5 37.3 147 721 A T T 4 S+ 0 0 70 -2,-0.1 125,-0.2 2,-0.1 -1,-0.1 0.632 101.7 30.9 -74.4 -12.0 19.7 15.8 36.2 148 722 A V T >4 S+ 0 0 0 123,-0.1 3,-1.7 2,-0.1 -1,-0.1 0.794 117.7 50.2-104.3 -56.0 18.2 17.6 39.2 149 723 A I T 34 S+ 0 0 0 1,-0.3 -2,-0.1 -7,-0.1 -33,-0.1 0.854 116.7 40.4 -54.3 -42.4 18.2 15.0 42.0 150 724 A S T 3< S+ 0 0 7 -4,-1.6 -1,-0.3 -7,-0.2 -3,-0.1 0.335 92.6 106.3 -92.1 6.4 21.9 14.0 41.6 151 725 A A S < S- 0 0 0 -3,-1.7 1183,-0.1 1183,-0.2 2,-0.1 -0.788 77.1-119.0 -95.0 120.7 23.1 17.6 41.0 152 726 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 1182,-0.1 -0.373 44.7-108.3 -48.4 119.9 25.1 19.4 43.8 153 727 A F + 0 0 35 1,-0.1 120,-0.1 -2,-0.1 119,-0.1 -0.398 54.0 157.2 -65.2 124.9 22.8 22.4 44.4 154 728 A R + 0 0 85 118,-2.0 -1,-0.1 -2,-0.2 118,-0.1 -0.027 41.5 106.6-131.4 26.5 24.4 25.6 43.1 155 729 A G S S- 0 0 21 1,-0.1 2,-0.5 119,-0.0 121,-0.2 0.163 78.8 -47.2 -91.4-149.9 21.2 27.6 42.7 156 730 A Y B +a 276 0A 22 119,-2.3 121,-1.8 118,-0.2 -1,-0.1 -0.740 44.1 169.7 -98.2 120.3 19.7 30.6 44.6 157 731 A A + 0 0 87 -2,-0.5 -1,-0.1 119,-0.2 119,-0.1 0.314 51.2 87.4-109.4 7.2 19.4 30.4 48.4 158 732 A G S S- 0 0 49 1,-0.2 119,-0.2 119,-0.0 2,-0.1 0.043 80.5 -58.6 -95.1-156.8 18.4 34.0 49.2 159 733 A A - 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0 0 31 3,-0.4 3,-1.0 -2,-0.2 51,-0.1 -0.971 29.6-117.3-125.8 119.6 21.1 -19.7 19.5 741 603 B I T 3 S+ 0 0 159 -2,-0.4 2,-0.4 1,-0.2 0, 0.0 -0.183 94.2 7.2 -50.4 132.2 18.3 -22.3 19.8 742 604 B G T 3 S+ 0 0 74 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.097 105.7 98.8 88.3 -36.5 19.4 -25.9 19.1 743 605 B K < - 0 0 145 -3,-1.0 -3,-0.4 -2,-0.4 -1,-0.1 -0.787 59.8-153.6 -95.2 120.8 23.1 -25.1 18.8 744 606 B P - 0 0 103 0, 0.0 2,-0.6 0, 0.0 -1,-0.0 -0.224 37.9 -70.5 -80.3 173.7 25.3 -25.9 21.8 745 607 B I - 0 0 78 4,-0.1 2,-0.1 3,-0.1 0, 0.0 -0.573 55.7-165.9 -69.5 112.2 28.6 -24.3 22.9 746 608 B G > - 0 0 29 -2,-0.6 4,-1.8 -3,-0.1 3,-0.1 -0.326 39.1 -84.2 -90.5 179.8 31.3 -25.5 20.5 747 609 B E H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.828 124.7 49.8 -57.5 -38.9 35.1 -25.2 20.9 748 610 B S H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 110.8 47.8 -67.2 -46.0 35.4 -21.6 19.6 749 611 B Y H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.824 109.3 57.0 -63.8 -33.8 32.7 -20.1 21.7 750 612 B K H X S+ 0 0 129 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.915 106.6 46.2 -65.5 -48.4 34.2 -21.9 24.7 751 613 B R H X S+ 0 0 152 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.866 112.2 52.5 -61.4 -39.6 37.7 -20.2 24.3 752 614 B I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.915 112.2 44.6 -64.8 -43.1 35.9 -16.9 23.8 753 615 B L H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 113.6 50.5 -66.9 -43.3 34.0 -17.4 27.1 754 616 B A H X S+ 0 0 57 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.934 112.7 46.8 -55.3 -48.1 37.2 -18.6 28.8 755 617 B K H X S+ 0 0 38 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.893 110.8 52.3 -64.9 -39.3 39.0 -15.5 27.6 756 618 B L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.857 107.2 52.8 -64.4 -38.5 36.2 -13.3 28.6 757 619 B Q H X S+ 0 0 87 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.939 106.8 51.9 -62.9 -47.1 36.2 -14.8 32.1 758 620 B R H X S+ 0 0 140 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.842 105.5 57.2 -57.1 -36.1 39.9 -14.1 32.5 759 621 B I H >< S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.944 108.5 44.2 -61.4 -48.3 39.3 -10.4 31.5 760 622 B H H 3< S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.694 115.3 49.9 -72.1 -18.7 36.8 -9.9 34.3 761 623 B N H 3< S+ 0 0 103 -4,-1.3 2,-0.6 -5,-0.1 -1,-0.2 0.526 87.0 105.2 -93.6 -7.2 39.2 -11.7 36.7 762 624 B S << + 0 0 12 -3,-0.9 6,-0.0 -4,-0.8 -3,-0.0 -0.633 38.3 173.0 -83.4 118.5 42.2 -9.6 35.7 763 625 B N + 0 0 139 -2,-0.6 2,-0.6 5,-0.0 -1,-0.2 0.682 58.5 83.3 -99.0 -20.5 43.3 -7.0 38.3 764 626 B I S > S- 0 0 104 1,-0.1 4,-2.4 2,-0.0 3,-0.2 -0.790 72.9-148.2 -85.0 121.0 46.5 -5.8 36.7 765 627 B L H > S+ 0 0 35 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.800 92.3 51.9 -64.5 -37.1 45.5 -3.3 34.1 766 628 B D H > S+ 0 0 44 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.871 114.3 45.1 -69.3 -36.0 48.3 -3.9 31.6 767 629 B E H > S+ 0 0 94 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 110.7 55.4 -68.5 -42.0 47.5 -7.6 31.6 768 630 B R H X S+ 0 0 26 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.937 110.1 42.9 -56.6 -54.1 43.8 -6.9 31.4 769 631 B Q H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 111.2 57.1 -63.3 -40.7 44.0 -4.7 28.2 770 632 B G H X S+ 0 0 2 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.927 108.0 47.1 -49.9 -49.6 46.4 -7.3 26.8 771 633 B L H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.837 107.6 55.5 -65.5 -35.8 43.8 -10.0 27.2 772 634 B M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.877 107.3 50.6 -66.6 -36.9 41.1 -7.8 25.7 773 635 B H H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.921 109.7 51.0 -62.7 -41.8 43.3 -7.5 22.6 774 636 B E H X S+ 0 0 60 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.936 107.7 52.7 -58.2 -46.1 43.6 -11.3 22.7 775 637 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.909 104.9 56.1 -56.8 -43.9 39.8 -11.6 22.9 776 638 B M H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.905 105.9 49.8 -55.8 -46.9 39.5 -9.3 19.8 777 639 B E H X S+ 0 0 18 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.952 109.0 52.5 -58.1 -50.0 41.7 -11.6 17.7 778 640 B L H X S+ 0 0 51 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 112.2 45.3 -47.9 -50.7 39.6 -14.6 18.8 779 641 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.883 110.8 55.0 -63.0 -38.5 36.5 -12.8 17.7 780 642 B D H X S+ 0 0 40 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.898 109.7 45.5 -59.1 -43.8 38.2 -11.8 14.5 781 643 B L H X S+ 0 0 74 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.845 111.6 52.2 -71.6 -34.7 39.1 -15.4 13.6 782 644 B Y H X S+ 0 0 6 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.910 111.5 46.3 -67.3 -43.6 35.6 -16.5 14.4 783 645 B E H < S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.0 49.9 -63.2 -41.7 34.1 -13.9 12.1 784 646 B E H < S+ 0 0 144 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.919 123.6 27.5 -64.2 -46.2 36.6 -14.8 9.4 785 647 B S H < S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.653 127.8 38.9-100.1 -19.0 36.0 -18.6 9.5 786 648 B Q >< + 0 0 68 -4,-2.7 3,-1.7 -5,-0.3 -1,-0.2 -0.431 66.2 151.9-126.5 61.5 32.4 -18.9 10.7 787 649 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.694 71.5 53.9 -70.4 -22.0 30.7 -15.9 8.9 788 650 B S T 3 S+ 0 0 114 -3,-0.1 2,-0.1 4,-0.0 -5,-0.1 0.395 82.3 127.7 -88.9 2.4 27.2 -17.5 8.8 789 651 B S X - 0 0 22 -3,-1.7 3,-1.4 -7,-0.2 4,-0.2 -0.371 57.6-146.0 -66.8 131.8 27.2 -18.1 12.6 790 652 B E T 3 S+ 0 0 144 1,-0.2 3,-0.4 2,-0.1 4,-0.4 0.686 97.3 71.0 -65.2 -21.0 24.3 -16.8 14.6 791 653 B R T 3> S+ 0 0 24 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.703 80.1 86.4 -65.4 -15.6 26.6 -16.0 17.4 792 654 B L H <> S+ 0 0 5 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.804 77.6 53.3 -64.2 -46.6 28.1 -13.1 15.3 793 655 B N H > S+ 0 0 133 -3,-0.4 4,-1.8 -4,-0.2 -1,-0.2 0.920 115.2 45.3 -52.3 -44.1 25.8 -10.1 16.0 794 656 B A H > S+ 0 0 8 -4,-0.4 4,-2.3 -3,-0.3 -2,-0.2 0.961 113.3 48.5 -63.6 -51.6 26.5 -10.7 19.7 795 657 B F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.779 108.1 56.1 -60.2 -32.7 30.2 -11.2 19.1 796 658 B R H X S+ 0 0 101 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.909 108.7 45.9 -66.9 -42.2 30.4 -8.0 17.0 797 659 B E H X S+ 0 0 88 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.928 110.8 54.6 -63.8 -42.2 28.9 -6.0 19.9 798 660 B L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.917 107.9 47.9 -57.1 -48.1 31.3 -7.6 22.3 799 661 B R H X S+ 0 0 30 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.917 110.6 52.4 -57.6 -47.3 34.4 -6.6 20.2 800 662 B T H X S+ 0 0 60 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.867 106.9 54.1 -53.3 -39.4 33.0 -3.0 20.0 801 663 B Q H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.894 109.1 46.4 -65.0 -39.6 32.7 -3.1 23.8 802 664 B L H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.855 111.5 52.6 -71.7 -36.0 36.4 -4.0 24.2 803 665 B E H X S+ 0 0 33 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.886 110.4 47.3 -63.5 -41.4 37.3 -1.4 21.7 804 666 B K H < S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.760 109.1 54.2 -75.0 -25.6 35.4 1.3 23.6 805 667 B A H < S+ 0 0 14 -4,-1.5 -82,-0.3 -5,-0.2 -81,-0.2 0.820 120.0 32.4 -74.0 -30.8 36.9 0.2 26.9 806 668 B L H < S+ 0 0 5 -4,-1.4 2,-0.5 1,-0.2 -2,-0.2 0.815 119.8 47.5 -93.1 -37.5 40.5 0.6 25.5 807 669 B Y S < S- 0 0 7 -4,-2.6 -1,-0.2 -5,-0.2 5,-0.1 -0.942 73.2-144.5-120.3 116.3 40.1 3.4 23.1 808 670 B L > - 0 0 24 -2,-0.5 3,-2.6 -3,-0.1 7,-0.2 -0.307 35.1-101.0 -72.1 159.6 38.4 6.7 23.9 809 671 B P G > S+ 0 0 87 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.846 125.9 51.0 -47.2 -37.6 36.3 8.5 21.3 810 672 B E G 3 S+ 0 0 69 1,-0.3 3,-0.1 2,-0.1 4,-0.1 0.263 97.7 68.4 -91.4 15.1 39.2 11.0 20.8 811 673 B M G <> + 0 0 6 -3,-2.6 4,-2.7 1,-0.1 -1,-0.3 0.157 66.1 117.7-107.5 13.3 41.6 8.1 20.4 812 674 B E H <> S+ 0 0 92 -3,-1.0 4,-2.2 1,-0.2 5,-0.2 0.853 74.0 44.5 -46.7 -52.0 40.0 7.2 17.0 813 675 B A H > S+ 0 0 16 421,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 113.9 50.9 -67.6 -37.3 43.0 7.7 14.8 814 676 B L H > S+ 0 0 7 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.925 109.1 51.9 -63.8 -47.0 45.3 5.9 17.2 815 677 B K H X S+ 0 0 28 -4,-2.7 4,-3.7 2,-0.2 5,-0.4 0.960 108.6 49.1 -52.7 -58.5 42.9 2.9 17.4 816 678 B K H X S+ 0 0 139 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.888 111.9 50.2 -51.8 -45.9 42.7 2.5 13.6 817 679 B Q H < S+ 0 0 9 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.921 118.2 37.7 -58.7 -47.4 46.5 2.7 13.4 818 680 B I H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.913 116.6 48.1 -74.9 -44.4 47.0 0.0 16.1 819 681 B L H 3< S+ 0 0 25 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.556 97.4 73.3 -78.8 -4.2 44.1 -2.3 15.2 820 682 B Q T 3< S+ 0 0 102 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.731 76.9 94.0 -74.4 -26.7 45.1 -2.3 11.6 821 683 B I S < S- 0 0 4 -3,-1.3 41,-0.1 -4,-0.3 8,-0.1 -0.495 86.7-115.1 -67.8 131.2 48.1 -4.5 12.5 822 684 B P S S+ 0 0 39 0, 0.0 4,-0.2 0, 0.0 41,-0.1 -0.227 91.2 36.5 -62.4 163.5 47.2 -8.2 12.0 823 685 B N > - 0 0 23 1,-0.1 3,-2.4 2,-0.1 5,-0.4 0.979 63.7-166.2 58.9 68.7 47.1 -10.5 15.1 824 686 B K T 3 S+ 0 0 25 1,-0.3 3,-0.4 2,-0.1 6,-0.3 0.720 88.6 51.2 -56.6 -22.2 45.6 -8.2 17.7 825 687 B G T 3 S+ 0 0 8 -51,-0.2 -1,-0.3 1,-0.2 -51,-0.1 0.211 79.6 96.9-100.8 13.2 46.6 -10.7 20.4 826 688 B S S < S- 0 0 2 -3,-2.4 171,-0.3 -4,-0.2 -1,-0.2 0.625 103.7-105.6 -73.6 -15.8 50.3 -11.0 19.2 827 689 B G S > S+ 0 0 17 -3,-0.4 4,-2.1 -4,-0.2 5,-0.1 0.138 101.1 98.4 106.0 -16.9 51.3 -8.6 21.8 828 690 B A H > S+ 0 0 0 -5,-0.4 4,-2.3 2,-0.2 5,-0.2 0.959 84.4 45.0 -68.7 -51.1 51.9 -5.7 19.4 829 691 B A H > S+ 0 0 2 -6,-0.4 4,-2.2 1,-0.2 5,-0.2 0.883 113.7 53.1 -58.6 -38.4 48.5 -4.0 20.0 830 692 B R H > S+ 0 0 73 -6,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.942 111.4 44.4 -59.6 -49.1 49.1 -4.5 23.8 831 693 B F H X S+ 0 0 6 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.850 113.9 49.7 -65.4 -37.1 52.5 -2.8 23.6 832 694 B L H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.925 109.1 49.4 -76.9 -44.2 51.4 0.1 21.5 833 695 B L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.932 110.8 51.5 -52.9 -50.7 48.3 1.1 23.5 834 696 B R H X S+ 0 0 75 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.909 113.4 45.4 -53.9 -44.2 50.5 1.0 26.7 835 697 B T H X S+ 0 0 5 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.917 112.9 49.9 -67.1 -45.3 52.9 3.3 24.9 836 698 B A H X S+ 0 0 0 -4,-3.3 4,-3.5 2,-0.2 5,-0.2 0.941 112.1 47.4 -58.2 -48.5 50.1 5.5 23.6 837 699 B M H X S+ 0 0 2 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.909 112.4 48.8 -62.7 -43.5 48.5 5.9 27.1 838 700 B N H <>S+ 0 0 25 -4,-2.3 5,-2.5 -5,-0.3 6,-0.3 0.848 115.4 45.9 -61.7 -34.3 51.9 6.7 28.7 839 701 B E H ><5S+ 0 0 1 -4,-2.0 3,-2.4 3,-0.2 5,-0.3 0.944 110.9 50.1 -75.7 -50.6 52.6 9.2 26.0 840 702 B M H 3<5S+ 0 0 8 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 106.9 56.8 -53.2 -38.3 49.1 10.8 26.2 841 703 B A T 3<5S- 0 0 19 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.555 112.9-126.2 -69.8 -6.2 49.6 11.0 29.9 842 704 B G T < 5S+ 0 0 49 -3,-2.4 -3,-0.2 2,-0.1 -2,-0.1 0.782 78.3 123.0 65.7 27.6 52.8 13.0 29.1 843 705 B K S + 0 0 3 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 0.500 39.8 86.5-150.5 -32.9 57.4 7.5 20.4 848 710 B T H > S+ 0 0 0 1,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.876 89.5 52.2 -54.9 -50.6 54.1 5.8 19.5 849 711 B A H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 114.6 43.3 -53.9 -47.2 53.7 7.1 16.0 850 712 B D H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 110.8 53.9 -68.0 -41.4 57.2 5.9 15.1 851 713 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.865 106.6 54.5 -61.6 -34.5 56.8 2.6 16.8 852 714 B I H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.930 106.6 49.9 -59.6 -46.5 53.6 2.1 14.8 853 715 B R H X S+ 0 0 39 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.859 109.8 53.0 -63.4 -34.5 55.6 2.7 11.5 854 716 B F H >X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 3,-0.9 0.962 110.2 45.9 -62.7 -52.5 58.1 0.1 12.8 855 717 B A H 3< S+ 0 0 0 -4,-2.5 7,-0.4 1,-0.2 3,-0.3 0.883 107.8 58.2 -55.8 -42.7 55.3 -2.5 13.4 856 718 B L H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.683 115.4 33.6 -66.2 -23.2 53.7 -1.9 10.0 857 719 B Q H << S+ 0 0 42 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.521 88.3 114.2-109.2 -12.5 56.8 -2.7 8.0 858 720 B D X - 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