==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-FEB-00 1EFY . COMPND 2 MOLECULE: POLY (ADP-RIBOSE) POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR A.W.WHITE,R.ALMASSY,A.H.CALVERT,N.J.CURTIN,R.J.GRIFFIN, . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 16.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 1 1 0 2 0 1 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 2 0 4 0 1 0 0 1 2 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 1 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 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 1 662 A K 0 0 165 0, 0.0 126,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-124.9 66.1 40.9 -0.1 2 663 A S - 0 0 15 1,-0.1 7,-0.1 124,-0.1 124,-0.0 -0.446 360.0-155.3 -66.6 133.1 64.1 40.1 3.1 3 664 A K + 0 0 168 -2,-0.2 -1,-0.1 124,-0.1 123,-0.0 0.659 65.0 103.2 -81.9 -16.1 65.2 42.0 6.2 4 665 A L S S- 0 0 36 1,-0.1 2,-0.2 2,-0.1 126,-0.1 -0.162 81.6 -96.7 -68.3 157.1 63.7 39.2 8.4 5 666 A A >> - 0 0 47 1,-0.1 4,-2.1 4,-0.0 3,-1.1 -0.477 39.3-107.0 -74.3 145.6 65.6 36.4 10.2 6 667 A K H 3> S+ 0 0 160 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.833 117.1 48.5 -38.1 -57.4 65.8 33.0 8.4 7 668 A P H 3> S+ 0 0 26 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.828 111.9 50.1 -58.0 -36.3 63.3 31.2 10.7 8 669 A I H <> S+ 0 0 11 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.851 108.3 53.5 -70.0 -36.1 60.8 34.0 10.4 9 670 A Q H X S+ 0 0 26 -4,-2.1 4,-2.0 -3,-0.3 -1,-0.2 0.935 110.5 46.3 -62.9 -47.4 61.1 33.9 6.6 10 671 A D H X S+ 0 0 75 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.699 110.2 54.9 -68.4 -20.6 60.3 30.2 6.6 11 672 A L H X S+ 0 0 0 -4,-0.9 4,-2.0 -5,-0.2 -2,-0.2 0.899 107.8 48.3 -78.2 -42.6 57.4 30.8 9.0 12 673 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 110.7 50.8 -61.8 -46.3 55.8 33.4 6.7 13 674 A K H < S+ 0 0 96 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.3 46.7 -59.3 -42.7 56.2 31.1 3.6 14 675 A M H >< S+ 0 0 47 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.872 111.8 51.8 -67.2 -39.5 54.5 28.2 5.5 15 676 A I H 3< S+ 0 0 3 -4,-2.0 194,-0.3 1,-0.2 -2,-0.2 0.876 115.5 38.6 -66.6 -41.6 51.7 30.4 6.8 16 677 A F T 3< S+ 0 0 11 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.2 0.178 80.7 142.7 -97.8 17.3 50.7 31.9 3.4 17 678 A D <> - 0 0 67 -3,-0.8 4,-1.4 1,-0.2 3,-0.2 -0.446 36.8-161.2 -64.8 116.6 51.2 28.7 1.4 18 679 A V H > S+ 0 0 53 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.861 87.7 57.6 -66.2 -39.1 48.5 28.5 -1.3 19 680 A E H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 105.5 51.3 -62.0 -34.6 48.9 24.7 -1.9 20 681 A S H > S+ 0 0 29 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 105.7 54.7 -69.7 -40.2 48.1 24.1 1.8 21 682 A M H X S+ 0 0 2 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.902 112.5 43.9 -59.4 -40.6 45.0 26.2 1.7 22 683 A K H X S+ 0 0 86 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.897 109.6 55.1 -71.6 -41.4 43.7 24.0 -1.2 23 684 A K H X S+ 0 0 90 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.906 107.9 51.4 -58.1 -39.8 44.8 20.8 0.5 24 685 A A H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.935 109.7 48.0 -62.4 -48.0 42.7 21.8 3.5 25 686 A M H <>S+ 0 0 0 -4,-1.7 5,-2.3 1,-0.2 -1,-0.2 0.863 110.3 52.2 -62.4 -36.4 39.6 22.5 1.3 26 687 A V H ><5S+ 0 0 84 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.891 105.6 54.4 -66.7 -40.2 40.0 19.2 -0.5 27 688 A E H 3<5S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 104.0 55.7 -62.1 -31.5 40.1 17.4 2.9 28 689 A F T 3<5S- 0 0 26 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.329 119.3-116.3 -81.6 5.4 36.8 19.1 3.7 29 690 A E T < 5 + 0 0 67 -3,-2.0 53,-2.6 1,-0.2 -3,-0.2 0.704 60.8 156.3 65.2 23.4 35.5 17.5 0.5 30 691 A I B < -A 81 0A 5 -5,-2.3 2,-1.0 51,-0.3 51,-0.3 -0.483 49.4-115.4 -76.9 149.6 34.9 20.9 -1.2 31 692 A D > - 0 0 34 49,-2.8 4,-2.3 1,-0.2 3,-0.5 -0.788 26.8-171.2 -89.7 101.3 34.8 21.0 -5.0 32 693 A L T 4 S+ 0 0 34 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.674 83.2 57.7 -67.1 -19.1 37.8 23.1 -6.0 33 694 A Q T 4 S+ 0 0 176 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.847 116.1 33.5 -79.8 -34.2 36.7 23.2 -9.6 34 695 A K T 4 S+ 0 0 144 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.682 134.0 29.3 -90.8 -24.1 33.3 24.7 -8.8 35 696 A M S < S- 0 0 0 -4,-2.3 -1,-0.2 45,-0.1 -2,-0.1 -0.656 76.3-176.6-140.6 86.5 34.6 26.7 -5.9 36 697 A P >> - 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.230 46.8 -92.4 -73.7 167.4 38.3 27.8 -6.1 37 698 A L G >4 S+ 0 0 11 1,-0.3 3,-0.8 2,-0.2 77,-0.1 0.815 123.7 59.5 -48.9 -38.3 40.1 29.7 -3.4 38 699 A G G 34 S+ 0 0 32 1,-0.2 -1,-0.3 76,-0.0 -3,-0.0 0.728 94.9 62.4 -67.7 -22.0 39.2 33.0 -5.0 39 700 A K G <4 S+ 0 0 92 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.711 73.3 118.1 -77.2 -21.5 35.4 32.5 -4.7 40 701 A L << - 0 0 13 -3,-0.8 2,-0.3 -4,-0.6 3,-0.1 -0.240 43.8-173.6 -52.6 125.1 35.4 32.3 -0.9 41 702 A S > - 0 0 37 1,-0.1 4,-1.9 -2,-0.0 5,-0.1 -0.910 31.3-136.9-125.1 147.2 33.3 35.1 0.6 42 703 A K H > S+ 0 0 96 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.911 111.0 45.8 -65.7 -45.7 32.8 36.2 4.3 43 704 A R H > S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.741 109.4 57.0 -69.5 -24.7 29.1 36.7 3.7 44 705 A Q H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.1 -2,-0.2 0.921 110.5 42.7 -69.0 -47.4 29.0 33.3 2.0 45 706 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.929 111.9 55.0 -65.2 -44.1 30.5 31.6 5.0 46 707 A Q H X S+ 0 0 84 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.888 109.4 47.2 -57.8 -41.5 28.2 33.6 7.3 47 708 A S H X S+ 0 0 46 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.855 106.8 56.6 -69.9 -35.9 25.1 32.4 5.4 48 709 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.888 104.8 53.4 -63.1 -36.7 26.3 28.8 5.5 49 710 A Y H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.901 108.0 49.9 -62.9 -43.5 26.5 29.0 9.3 50 711 A S H X S+ 0 0 44 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.838 109.1 51.9 -66.0 -32.8 22.9 30.1 9.5 51 712 A I H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.927 110.9 47.8 -68.2 -42.4 21.8 27.3 7.2 52 713 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.810 109.0 55.6 -66.9 -30.2 23.6 24.8 9.5 53 714 A N H X S+ 0 0 54 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.951 110.0 44.2 -68.4 -47.3 21.9 26.5 12.5 54 715 A E H X S+ 0 0 81 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.927 113.8 48.3 -62.3 -48.2 18.4 25.9 11.0 55 716 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.792 108.6 55.7 -64.4 -27.5 19.0 22.3 9.9 56 717 A Q H X S+ 0 0 13 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.878 109.5 46.8 -70.7 -37.6 20.5 21.6 13.4 57 718 A Q H X S+ 0 0 72 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.941 110.6 51.9 -67.9 -47.9 17.2 22.8 14.9 58 719 A A H <>S+ 0 0 8 -4,-2.6 5,-3.7 2,-0.2 4,-0.4 0.866 112.0 46.1 -57.5 -41.6 15.1 20.8 12.5 59 720 A V H ><5S+ 0 0 38 -4,-1.9 3,-1.0 3,-0.2 -1,-0.2 0.961 117.0 42.0 -68.1 -50.8 16.9 17.6 13.3 60 721 A S H 3<5S+ 0 0 60 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.850 118.5 45.7 -67.2 -32.5 16.9 18.0 17.1 61 722 A D T 3<5S- 0 0 131 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.335 118.2-102.6 -94.7 8.3 13.3 19.2 17.2 62 723 A G T < 5 - 0 0 69 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.947 54.4-176.8 72.2 53.1 11.7 16.7 14.9 63 724 A G < - 0 0 24 -5,-3.7 -1,-0.1 1,-0.2 -5,-0.0 -0.219 36.0 -77.1 -78.8 167.9 11.4 18.7 11.7 64 725 A S >> - 0 0 66 1,-0.1 4,-1.5 2,-0.0 3,-0.5 -0.325 35.0-128.3 -62.4 144.3 9.8 17.7 8.5 65 726 A E H 3> S+ 0 0 163 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.767 109.7 58.9 -66.4 -23.0 11.9 15.4 6.3 66 727 A S H 3> S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.780 101.7 52.7 -76.5 -26.7 11.3 17.8 3.4 67 728 A Q H <> S+ 0 0 82 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.928 108.4 49.3 -73.1 -45.8 12.8 20.8 5.3 68 729 A I H X S+ 0 0 18 -4,-1.5 4,-2.4 2,-0.2 23,-0.3 0.871 112.5 48.9 -60.8 -38.0 16.0 18.9 6.1 69 730 A L H X S+ 0 0 78 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.929 111.6 49.8 -68.1 -42.8 16.3 17.9 2.5 70 731 A D H X S+ 0 0 81 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.931 112.3 46.2 -62.0 -45.5 15.7 21.5 1.4 71 732 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.920 110.6 54.5 -64.0 -40.0 18.3 22.9 3.8 72 733 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.918 109.5 46.6 -58.2 -47.9 20.8 20.2 2.6 73 734 A N H X S+ 0 0 87 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.843 111.8 51.1 -64.6 -35.9 20.3 21.2 -1.0 74 735 A R H X S+ 0 0 99 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.874 109.5 50.9 -69.8 -35.9 20.7 24.9 -0.2 75 736 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.944 112.8 43.5 -65.3 -50.5 24.0 24.2 1.8 76 737 A Y H < S+ 0 0 31 -4,-2.1 5,-0.2 2,-0.2 -1,-0.2 0.725 111.8 54.2 -68.8 -25.8 25.7 22.2 -1.0 77 738 A T H < S+ 0 0 117 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.881 112.2 45.2 -74.9 -35.6 24.5 24.7 -3.7 78 739 A L H < S+ 0 0 48 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.904 128.0 27.1 -72.0 -44.0 26.2 27.4 -1.6 79 740 A I S < S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.1 2,-0.1 -0.884 89.9-139.7-124.6 95.8 29.3 25.4 -1.0 80 741 A P - 0 0 22 0, 0.0 -49,-2.8 0, 0.0 2,-0.3 -0.345 21.1-161.4 -58.5 129.7 29.9 22.9 -3.8 81 742 A H B -A 30 0A 22 -51,-0.3 2,-0.6 -5,-0.2 -51,-0.3 -0.852 15.6-145.8-115.3 153.8 31.2 19.5 -2.6 82 743 A D + 0 0 95 -53,-2.6 3,-0.1 -2,-0.3 -50,-0.1 -0.869 25.5 163.1-122.5 95.5 32.9 16.7 -4.4 83 744 A F - 0 0 22 -2,-0.6 3,-0.4 1,-0.3 2,-0.1 0.252 41.6-133.8 -95.6 9.4 31.9 13.3 -3.0 84 745 A G - 0 0 54 1,-0.2 -1,-0.3 4,-0.0 0, 0.0 -0.437 67.6 -22.7 75.6-146.8 33.1 11.2 -5.9 85 746 A M S S+ 0 0 210 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.079 117.6 107.3 -89.9 35.8 30.9 8.4 -7.4 86 747 A K S S- 0 0 106 -3,-0.4 -3,-0.2 3,-0.0 0, 0.0 -0.813 80.5-104.1-114.9 149.7 29.2 8.5 -4.0 87 748 A K - 0 0 181 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.560 42.4-108.2 -73.5 135.1 25.8 9.8 -3.1 88 749 A P - 0 0 71 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.511 35.5-123.9 -65.4 122.8 26.0 13.2 -1.2 89 750 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.457 22.7-121.1 -71.0 140.2 25.1 12.7 2.5 90 751 A L - 0 0 74 -2,-0.1 2,-2.1 1,-0.1 3,-0.3 -0.477 21.3-114.0 -78.0 153.1 22.2 14.7 3.8 91 752 A L S S+ 0 0 0 -23,-0.3 -32,-0.1 1,-0.2 -1,-0.1 -0.393 79.0 122.7 -81.4 59.7 22.8 17.1 6.8 92 753 A S + 0 0 61 -2,-2.1 2,-0.4 -33,-0.0 -1,-0.2 0.404 53.5 59.5-107.1 0.6 20.4 14.8 8.8 93 754 A N S > S- 0 0 79 -3,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.967 78.4-125.2-128.6 147.6 22.5 13.8 11.8 94 755 A L H > S+ 0 0 65 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 0.761 105.6 57.4 -62.3 -25.9 24.2 16.0 14.4 95 756 A E H > S+ 0 0 165 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 108.8 43.3 -75.5 -37.6 27.7 14.6 13.9 96 757 A Y H > S+ 0 0 38 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.908 114.1 52.0 -71.3 -42.1 27.9 15.3 10.2 97 758 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.878 109.5 51.1 -59.6 -37.3 26.4 18.8 10.8 98 759 A Q H X S+ 0 0 35 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.903 106.1 53.7 -66.0 -45.3 29.1 19.3 13.5 99 760 A A H X S+ 0 0 52 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.871 109.3 50.1 -57.8 -36.9 31.8 18.3 11.1 100 761 A K H X S+ 0 0 10 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.830 103.5 57.1 -73.7 -31.4 30.5 21.0 8.7 101 762 A V H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.888 108.6 48.6 -65.2 -38.7 30.4 23.8 11.3 102 763 A Q H X S+ 0 0 80 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.790 103.7 59.1 -71.6 -29.8 34.1 23.2 11.9 103 764 A M H X S+ 0 0 1 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.931 107.4 48.7 -62.8 -43.1 34.8 23.2 8.2 104 765 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.832 103.5 58.3 -65.0 -36.1 33.4 26.8 8.2 105 766 A D H X S+ 0 0 39 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.927 112.0 43.4 -60.0 -41.0 35.5 27.8 11.2 106 767 A N H >X S+ 0 0 19 -4,-1.7 4,-2.3 1,-0.2 3,-0.7 0.858 109.3 55.3 -71.1 -39.8 38.6 26.9 9.1 107 768 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.823 100.4 61.3 -63.9 -31.6 37.2 28.6 5.9 108 769 A L H 3X S+ 0 0 33 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.810 111.6 38.5 -62.7 -33.5 36.8 31.8 7.9 109 770 A D H - 0 0 32 -126,-0.4 4,-2.3 -2,-0.3 5,-0.2 -0.422 25.9-115.8 -70.3 146.6 60.8 41.7 -0.6 128 789 A P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.841 116.2 56.3 -53.7 -34.9 57.5 39.7 -0.8 129 790 A I H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.948 108.0 47.3 -61.8 -48.6 58.3 38.0 2.5 130 791 A D H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 111.0 52.2 -58.8 -46.6 58.6 41.3 4.3 131 792 A I H X S+ 0 0 13 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.885 111.7 44.4 -58.5 -44.6 55.4 42.6 2.7 132 793 A N H X S+ 0 0 15 -4,-2.2 4,-0.7 2,-0.2 3,-0.4 0.889 110.0 58.0 -68.4 -35.3 53.4 39.6 3.9 133 794 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.5 1,-0.3 5,-0.5 0.934 104.5 49.6 -58.0 -50.0 55.0 39.8 7.3 134 795 A E H >< S+ 0 0 91 -4,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.763 99.4 67.4 -62.7 -25.1 53.8 43.4 7.7 135 796 A K H 3< S+ 0 0 32 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.753 91.9 62.4 -65.5 -25.7 50.3 42.3 6.8 136 797 A L T << S- 0 0 0 -3,-1.5 -1,-0.2 -4,-0.7 45,-0.2 0.710 90.8-147.4 -73.1 -22.0 50.1 40.2 10.0 137 798 A R < + 0 0 154 -3,-1.0 44,-2.4 -4,-0.4 2,-0.4 0.890 59.5 121.6 53.2 40.3 50.5 43.3 12.2 138 799 A T E -B 180 0B 8 -5,-0.5 2,-0.5 42,-0.2 42,-0.2 -0.994 63.2-135.3-137.2 126.4 52.4 41.1 14.6 139 800 A D E -B 179 0B 72 40,-2.5 40,-2.0 -2,-0.4 2,-0.4 -0.729 27.5-169.5 -82.9 124.6 55.9 41.6 15.9 140 801 A I E +B 178 0B 6 -2,-0.5 2,-0.3 38,-0.2 38,-0.2 -0.964 9.5 174.7-121.6 130.7 57.7 38.2 15.7 141 802 A K E -B 177 0B 130 36,-2.1 36,-3.1 -2,-0.4 2,-0.3 -0.989 33.5-114.4-134.6 142.2 61.1 37.5 17.2 142 803 A V E -B 176 0B 59 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.599 30.6-132.6 -75.8 133.1 63.1 34.3 17.5 143 804 A V - 0 0 8 32,-3.1 32,-0.4 -2,-0.3 2,-0.2 -0.740 29.0-104.0 -89.0 135.4 63.5 33.1 21.1 144 805 A D > - 0 0 110 -2,-0.4 3,-1.2 1,-0.1 6,-0.4 -0.411 19.5-140.9 -62.3 127.4 67.1 32.1 22.1 145 806 A K T 3 S+ 0 0 69 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.832 102.7 44.0 -56.5 -40.4 67.6 28.3 22.3 146 807 A D T 3 S+ 0 0 140 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 -0.331 94.3 117.6-103.1 46.7 69.8 28.6 25.3 147 808 A S S <> S- 0 0 27 -3,-1.2 4,-1.1 -2,-0.2 5,-0.0 -0.477 75.0-119.4-102.9 175.6 67.6 31.1 27.0 148 809 A E H > S+ 0 0 125 2,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.855 115.1 51.4 -83.9 -39.2 65.7 30.8 30.3 149 810 A E H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 111.0 48.2 -59.7 -51.0 62.3 31.3 28.6 150 811 A A H > S+ 0 0 0 -6,-0.4 4,-2.7 1,-0.2 5,-0.2 0.897 109.5 52.6 -56.6 -45.9 63.2 28.5 26.0 151 812 A K H X S+ 0 0 105 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.894 111.1 47.0 -58.3 -44.3 64.3 26.1 28.7 152 813 A I H X S+ 0 0 28 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.869 113.1 49.0 -66.3 -38.2 61.0 26.6 30.6 153 814 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.879 110.5 49.8 -71.3 -36.7 59.0 26.1 27.4 154 815 A K H X S+ 0 0 70 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.891 109.9 51.6 -67.6 -38.8 60.8 23.0 26.3 155 816 A Q H X S+ 0 0 76 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.879 108.1 52.8 -62.6 -40.8 60.3 21.5 29.8 156 817 A Y H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 84,-0.4 0.891 112.2 44.5 -62.1 -43.1 56.6 22.3 29.4 157 818 A V H < S+ 0 0 7 -4,-1.9 -2,-0.2 2,-0.2 4,-0.2 0.944 117.5 44.2 -67.8 -50.1 56.4 20.4 26.1 158 819 A K H >< S+ 0 0 138 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.926 118.1 41.1 -62.4 -49.4 58.4 17.4 27.3 159 820 A N H 3< S+ 0 0 23 -4,-2.8 154,-1.1 1,-0.2 -1,-0.2 0.842 112.5 54.1 -72.7 -32.5 56.7 16.9 30.7 160 821 A T T 3< S+ 0 0 0 -4,-1.6 81,-0.9 -5,-0.3 2,-0.6 0.213 70.5 126.0 -90.8 16.4 53.2 17.6 29.5 161 822 A H < - 0 0 40 -3,-0.8 152,-0.2 -4,-0.2 5,-0.1 -0.646 64.1-119.6 -76.5 119.5 53.0 15.0 26.7 162 823 A A > - 0 0 0 -2,-0.6 3,-1.0 1,-0.1 -1,-0.1 -0.276 6.1-133.0 -63.9 143.1 49.9 12.8 27.3 163 824 A A G > S+ 0 0 77 1,-0.3 3,-0.7 2,-0.1 -1,-0.1 0.889 107.4 47.7 -60.8 -45.1 50.2 9.1 27.8 164 825 A T G 3 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.521 102.2 68.8 -76.9 -4.8 47.4 8.2 25.5 165 826 A H G < + 0 0 35 -3,-1.0 3,-0.5 1,-0.1 2,-0.4 -0.100 60.6 119.6-105.7 37.0 48.8 10.5 22.9 166 827 A N < + 0 0 79 -3,-0.7 -1,-0.1 1,-0.2 3,-0.1 -0.243 30.3 109.1 -98.2 47.4 51.9 8.5 22.1 167 828 A A S S+ 0 0 65 -2,-0.4 182,-0.7 1,-0.1 2,-0.3 0.371 93.6 10.9 -92.6 -0.8 51.3 7.9 18.4 168 829 A Y E S- C 0 348B 6 -3,-0.5 180,-0.3 180,-0.3 2,-0.3 -0.980 72.6-119.8-165.5 168.5 54.1 10.4 17.9 169 830 A D E - C 0 347B 72 178,-1.8 178,-1.9 -2,-0.3 2,-0.4 -0.697 26.3-134.0-110.8 170.0 57.0 12.3 19.5 170 831 A L E - C 0 346B 32 -2,-0.3 2,-0.4 176,-0.2 176,-0.2 -0.989 17.0-175.2-133.5 131.9 57.3 16.1 19.6 171 832 A K E - 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