==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-NOV-97 3PAX . COMPND 2 MOLECULE: POLY(ADP-RIBOSE) POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR A.RUF,G.E.SCHULZ . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 16.9 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 . 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 . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 27.7 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 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 3 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 0 180 0, 0.0 126,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 166.3 65.7 41.0 -0.2 2 663 A S - 0 0 19 1,-0.1 7,-0.0 124,-0.1 4,-0.0 -0.412 360.0-163.3 -67.9 134.4 64.2 40.2 3.2 3 664 A K + 0 0 190 -2,-0.2 -1,-0.1 124,-0.1 0, 0.0 0.697 63.9 99.6 -88.2 -19.5 65.3 42.0 6.3 4 665 A L S S- 0 0 33 1,-0.1 126,-0.1 2,-0.1 2,-0.0 -0.171 85.3 -97.0 -65.7 155.3 63.7 39.3 8.5 5 666 A A > - 0 0 50 1,-0.1 4,-1.8 4,-0.0 3,-0.4 -0.371 38.6-108.9 -69.2 156.1 65.6 36.4 10.1 6 667 A K H > S+ 0 0 143 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.919 116.1 56.3 -54.5 -51.0 65.4 33.1 8.2 7 668 A P H > S+ 0 0 41 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.863 111.0 46.0 -50.2 -40.5 63.2 31.3 10.7 8 669 A I H > S+ 0 0 11 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.807 110.3 52.7 -70.7 -37.9 60.6 34.1 10.3 9 670 A Q H X S+ 0 0 29 -4,-1.8 4,-2.2 -3,-0.4 5,-0.2 0.944 110.7 47.6 -62.5 -49.8 60.9 34.1 6.5 10 671 A D H X S+ 0 0 69 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.815 110.6 53.3 -60.8 -31.8 60.3 30.3 6.5 11 672 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.926 109.1 47.1 -69.4 -46.1 57.3 30.9 8.8 12 673 A I H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.891 110.8 51.4 -62.3 -42.9 55.7 33.5 6.5 13 674 A K H < S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.915 111.9 49.8 -60.2 -42.1 56.2 31.4 3.4 14 675 A M H >< S+ 0 0 50 -4,-1.5 3,-0.9 -5,-0.2 -2,-0.2 0.889 110.5 45.9 -65.7 -43.5 54.5 28.5 5.3 15 676 A I H 3< S+ 0 0 3 -4,-2.2 194,-0.4 1,-0.2 -1,-0.2 0.737 117.1 45.0 -76.4 -19.0 51.5 30.4 6.5 16 677 A F T 3< S+ 0 0 12 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.2 0.263 79.3 134.5-104.4 13.1 50.8 32.0 3.1 17 678 A D <> - 0 0 60 -3,-0.9 4,-1.3 -4,-0.2 3,-0.5 -0.481 42.4-158.9 -68.3 116.7 51.3 28.8 1.1 18 679 A V H > S+ 0 0 54 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.867 87.7 59.0 -65.8 -35.4 48.5 28.5 -1.4 19 680 A E H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.841 103.3 52.9 -64.3 -34.2 48.9 24.8 -1.9 20 681 A S H > S+ 0 0 21 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.896 105.3 55.2 -68.1 -38.8 48.2 24.2 1.7 21 682 A M H X S+ 0 0 2 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.931 111.0 44.3 -59.2 -45.5 45.0 26.2 1.5 22 683 A K H X S+ 0 0 99 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.884 109.7 54.9 -65.5 -43.8 43.7 24.0 -1.3 23 684 A K H X S+ 0 0 78 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.964 107.8 51.1 -55.6 -46.8 44.8 20.8 0.4 24 685 A A H X S+ 0 0 5 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.930 112.4 46.0 -54.8 -49.9 42.7 22.0 3.5 25 686 A M H <>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 -1,-0.2 0.848 110.4 52.4 -63.9 -35.5 39.6 22.6 1.3 26 687 A V H ><5S+ 0 0 82 -4,-2.7 3,-1.2 3,-0.2 -1,-0.2 0.868 107.6 52.9 -68.0 -35.7 40.0 19.3 -0.5 27 688 A E H 3<5S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 104.8 53.7 -68.8 -30.8 40.1 17.5 2.8 28 689 A F T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.361 121.6-116.4 -81.3 1.9 36.8 19.3 3.8 29 690 A E T < 5 + 0 0 64 -3,-1.2 53,-2.4 1,-0.2 -3,-0.2 0.688 58.0 160.5 69.9 24.0 35.6 17.8 0.5 30 691 A I B < -A 81 0A 6 -5,-2.7 2,-0.9 51,-0.2 51,-0.3 -0.421 47.3-116.1 -72.5 151.9 35.0 21.1 -1.2 31 692 A D > - 0 0 28 49,-2.8 4,-3.1 1,-0.1 -1,-0.1 -0.847 27.6-170.5 -90.0 101.1 34.8 21.0 -5.0 32 693 A L T 4 S+ 0 0 36 -2,-0.9 -1,-0.1 2,-0.2 5,-0.1 0.652 83.1 58.5 -68.4 -18.6 37.8 23.2 -6.0 33 694 A Q T 4 S+ 0 0 175 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.939 119.5 27.2 -75.1 -49.3 36.6 23.2 -9.6 34 695 A K T 4 S+ 0 0 145 1,-0.2 -2,-0.2 46,-0.0 -1,-0.1 0.782 133.3 40.1 -81.6 -29.1 33.2 24.7 -8.8 35 696 A M S < S+ 0 0 0 -4,-3.1 -1,-0.2 45,-0.1 -2,-0.1 -0.724 76.3 179.5-126.0 82.8 34.6 26.5 -5.7 36 697 A P >> - 0 0 60 0, 0.0 3,-2.4 0, 0.0 4,-0.6 -0.363 45.5-100.5 -78.2 163.7 38.1 27.9 -6.1 37 698 A L G >4 S+ 0 0 12 1,-0.3 3,-1.0 2,-0.2 77,-0.1 0.863 121.5 58.4 -50.7 -38.9 40.0 29.8 -3.5 38 699 A G G 34 S+ 0 0 35 1,-0.2 -1,-0.3 76,-0.0 -3,-0.0 0.568 96.1 61.5 -71.2 -9.5 39.0 33.1 -5.1 39 700 A K G <4 S+ 0 0 119 -3,-2.4 -1,-0.2 2,-0.0 2,-0.2 0.655 76.5 110.4 -88.5 -20.2 35.2 32.5 -4.8 40 701 A L << + 0 0 10 -3,-1.0 2,-0.3 -4,-0.6 3,-0.1 -0.393 43.5 172.0 -59.6 123.2 35.3 32.4 -0.9 41 702 A S > - 0 0 35 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.943 41.5-125.1-133.6 153.2 33.6 35.3 0.7 42 703 A K H > S+ 0 0 97 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.908 112.7 53.6 -60.1 -45.1 32.7 36.2 4.3 43 704 A R H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 108.1 52.5 -56.4 -42.8 29.0 36.8 3.4 44 705 A Q H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 110.0 46.6 -59.2 -47.1 29.0 33.3 1.8 45 706 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.878 109.8 54.1 -65.8 -38.6 30.4 31.7 4.9 46 707 A Q H X S+ 0 0 81 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.946 108.1 49.7 -61.0 -49.7 27.9 33.6 7.2 47 708 A S H X S+ 0 0 58 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.895 108.1 54.0 -55.0 -43.0 25.0 32.3 5.1 48 709 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.886 106.1 52.3 -61.3 -40.0 26.3 28.8 5.4 49 710 A Y H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.921 108.5 51.1 -61.6 -44.5 26.5 29.0 9.2 50 711 A S H X S+ 0 0 44 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.832 109.4 50.0 -60.0 -40.2 22.8 30.1 9.3 51 712 A I H X S+ 0 0 19 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.928 111.7 48.0 -64.9 -43.9 21.8 27.2 7.1 52 713 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.876 110.5 53.0 -63.9 -35.6 23.7 24.9 9.4 53 714 A N H X S+ 0 0 57 -4,-2.5 4,-2.0 169,-0.2 -2,-0.2 0.956 111.6 44.8 -65.4 -48.2 22.0 26.5 12.4 54 715 A E H X S+ 0 0 86 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.892 113.2 48.8 -62.6 -44.4 18.5 26.0 10.9 55 716 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.903 109.5 53.8 -63.5 -37.5 19.2 22.3 9.9 56 717 A Q H X S+ 0 0 10 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.910 109.8 48.3 -60.7 -44.3 20.6 21.6 13.4 57 718 A Q H X S+ 0 0 98 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.919 110.5 50.2 -64.3 -43.3 17.3 23.0 14.8 58 719 A A H <>S+ 0 0 11 -4,-2.3 5,-4.3 2,-0.2 4,-0.3 0.768 110.8 49.1 -66.3 -31.0 15.1 20.9 12.5 59 720 A V H ><5S+ 0 0 37 -4,-1.8 3,-0.6 3,-0.2 -2,-0.2 0.921 114.6 44.8 -74.8 -44.7 17.0 17.7 13.3 60 721 A S H 3<5S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.934 119.8 39.5 -62.8 -51.4 16.8 18.3 17.1 61 722 A D T 3<5S- 0 0 119 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.335 115.2-108.7 -83.8 6.4 13.1 19.3 17.1 62 723 A G T < 5 - 0 0 64 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.962 50.3-178.3 66.4 52.6 11.9 16.8 14.5 63 724 A G < - 0 0 27 -5,-4.3 -1,-0.1 1,-0.2 5,-0.0 -0.244 41.8 -67.4 -74.3 170.5 11.3 19.1 11.6 64 725 A S > - 0 0 77 1,-0.1 4,-1.9 2,-0.1 -1,-0.2 -0.241 35.0-131.6 -56.5 146.4 9.9 17.8 8.2 65 726 A E H > S+ 0 0 165 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.836 113.1 59.8 -67.4 -27.2 12.3 15.6 6.3 66 727 A S H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.838 103.2 51.4 -66.4 -33.4 11.4 17.8 3.4 67 728 A Q H > S+ 0 0 78 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.955 109.8 47.3 -67.1 -50.5 12.8 20.7 5.4 68 729 A I H X S+ 0 0 19 -4,-1.9 4,-2.0 1,-0.2 23,-0.4 0.819 112.2 51.3 -61.4 -35.2 16.1 18.9 6.1 69 730 A L H X S+ 0 0 78 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 110.5 47.8 -71.8 -38.9 16.4 18.0 2.4 70 731 A D H X S+ 0 0 69 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.924 111.9 49.6 -69.5 -39.7 15.8 21.5 1.3 71 732 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.903 110.7 50.7 -63.6 -41.3 18.4 22.9 3.8 72 733 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.928 110.0 50.0 -61.6 -47.0 20.9 20.3 2.6 73 734 A N H X S+ 0 0 81 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.892 111.2 48.1 -60.3 -41.8 20.4 21.3 -1.0 74 735 A R H X S+ 0 0 109 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.915 111.8 50.6 -67.4 -37.4 20.8 24.9 -0.2 75 736 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.921 112.3 45.1 -64.1 -47.9 24.0 24.2 1.8 76 737 A Y H < S+ 0 0 34 -4,-2.7 5,-0.3 2,-0.2 -1,-0.2 0.618 113.2 51.6 -70.2 -17.7 25.6 22.1 -1.0 77 738 A T H < S+ 0 0 117 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.788 112.1 46.0 -85.8 -33.3 24.6 24.7 -3.6 78 739 A L H < S+ 0 0 49 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.912 128.6 26.3 -74.0 -44.2 26.2 27.5 -1.5 79 740 A I S < S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.2 2,-0.1 -0.887 89.9-141.2-122.8 95.8 29.4 25.4 -0.9 80 741 A P - 0 0 23 0, 0.0 -49,-2.8 0, 0.0 2,-0.3 -0.356 20.6-162.2 -60.1 130.8 29.9 22.9 -3.7 81 742 A H B -A 30 0A 22 -5,-0.3 2,-0.5 -51,-0.3 -51,-0.2 -0.822 15.4-145.5-115.7 155.3 31.2 19.5 -2.5 82 743 A D + 0 0 89 -53,-2.4 3,-0.1 -2,-0.3 -50,-0.1 -0.943 21.9 168.1-126.1 104.7 32.9 16.6 -4.3 83 744 A F > - 0 0 23 -2,-0.5 3,-1.9 1,-0.3 -1,-0.1 0.141 35.8-143.4-100.0 14.4 31.9 13.2 -2.9 84 745 A G T 3 S- 0 0 54 1,-0.3 -1,-0.3 4,-0.0 0, 0.0 -0.320 70.0 -13.1 60.9-131.2 33.5 11.3 -5.8 85 746 A M T 3 S+ 0 0 204 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.355 117.5 93.7 -86.4 5.9 31.5 8.3 -6.8 86 747 A K S < S- 0 0 113 -3,-1.9 -3,-0.2 1,-0.1 0, 0.0 -0.635 82.7-102.8-101.8 158.1 29.3 8.3 -3.7 87 748 A K - 0 0 182 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.534 46.3-101.7 -74.1 142.2 25.9 9.9 -3.0 88 749 A P - 0 0 69 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.481 37.4-122.7 -66.6 124.4 26.1 13.2 -1.0 89 750 A P - 0 0 46 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 -0.458 24.4-118.3 -71.0 142.0 25.1 12.7 2.6 90 751 A L > - 0 0 79 -2,-0.1 2,-2.3 1,-0.1 3,-0.6 -0.493 20.2-115.9 -77.6 150.8 22.2 14.7 4.0 91 752 A L T 3 S+ 0 0 0 -23,-0.4 -1,-0.1 1,-0.2 -32,-0.1 -0.449 86.1 109.9 -81.5 64.0 22.7 17.2 6.8 92 753 A S T 3 + 0 0 63 -2,-2.3 2,-0.5 -33,-0.0 -1,-0.2 0.406 53.5 78.9-120.3 -1.6 20.5 15.0 9.0 93 754 A N S <> S- 0 0 72 -3,-0.6 4,-2.0 1,-0.1 3,-0.4 -0.936 72.4-142.5-110.3 124.4 23.0 13.6 11.4 94 755 A L H > S+ 0 0 67 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.805 101.8 54.5 -58.0 -28.6 24.1 16.0 14.3 95 756 A E H > S+ 0 0 156 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.882 107.8 48.4 -71.7 -39.8 27.7 14.7 14.1 96 757 A Y H > S+ 0 0 42 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.859 109.7 53.1 -66.8 -36.8 27.9 15.5 10.4 97 758 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.904 108.0 50.8 -64.9 -41.0 26.5 19.0 11.0 98 759 A Q H X S+ 0 0 40 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.874 107.8 53.2 -64.0 -39.2 29.2 19.6 13.7 99 760 A A H X S+ 0 0 47 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.923 109.8 48.3 -62.2 -41.9 31.8 18.5 11.2 100 761 A K H X S+ 0 0 9 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.780 107.8 53.5 -70.2 -29.4 30.5 21.0 8.7 101 762 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.899 108.9 51.0 -69.8 -38.0 30.5 23.8 11.4 102 763 A Q H X S+ 0 0 92 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.895 106.3 54.8 -63.0 -44.2 34.2 23.0 12.0 103 764 A M H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.904 107.6 49.2 -55.3 -47.2 34.9 23.2 8.3 104 765 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.813 103.5 59.4 -64.2 -33.7 33.4 26.8 8.2 105 766 A D H X S+ 0 0 41 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.914 112.2 42.6 -60.1 -38.9 35.5 27.9 11.2 106 767 A N H >X S+ 0 0 21 -4,-1.6 4,-2.2 1,-0.2 3,-1.0 0.891 107.5 56.6 -73.7 -42.7 38.5 27.0 9.0 107 768 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.807 100.5 62.8 -60.4 -27.4 37.2 28.5 5.8 108 769 A L H 3X S+ 0 0 29 -4,-1.7 4,-0.9 1,-0.2 -1,-0.3 0.813 109.1 38.9 -63.9 -37.1 36.9 31.8 7.8 109 770 A D H < S+ 0 0 41 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.866 108.6 57.0 -71.7 -39.1 45.7 39.3 2.4 117 778 A L H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 112.2 41.4 -62.3 -31.8 47.9 37.4 -0.0 118 779 A R T 3< S+ 0 0 143 -4,-1.7 -1,-0.3 -5,-0.1 3,-0.2 0.360 102.1 96.3 -97.1 0.9 46.2 39.1 -3.0 119 780 A G S < S- 0 0 32 -3,-1.0 2,-1.3 -4,-0.2 -3,-0.1 0.259 91.9 -16.3 -73.0-156.9 46.2 42.5 -1.2 120 781 A G S S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.210 77.8 134.6 -52.7 85.0 48.8 45.4 -1.5 121 782 A N + 0 0 58 -2,-1.3 -1,-0.2 -3,-0.2 5,-0.1 0.273 36.3 100.3-115.7 6.8 51.8 43.6 -3.1 122 783 A E + 0 0 153 2,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 0.860 48.5 110.8 -62.8 -39.7 52.7 46.2 -5.8 123 784 A D - 0 0 62 1,-0.2 3,-0.3 -3,-0.1 8,-0.1 -0.080 45.0-172.8 -42.1 118.2 55.6 47.7 -3.8 124 785 A G S S+ 0 0 74 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.659 76.4 69.3 -90.6 -19.2 58.9 46.8 -5.6 125 786 A D S S+ 0 0 167 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.493 95.1 65.4 -76.9 -5.9 61.2 48.2 -3.0 126 787 A K S S- 0 0 80 -3,-0.3 -124,-0.1 -5,-0.1 3,-0.0 -0.912 88.4-114.4-118.1 146.1 60.1 45.5 -0.5 127 788 A D > - 0 0 24 -2,-0.3 4,-2.2 -126,-0.3 5,-0.2 -0.500 32.3-115.8 -73.7 146.0 60.8 41.7 -0.7 128 789 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.890 117.4 52.7 -48.8 -45.7 57.5 39.7 -1.1 129 790 A I H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.940 108.4 50.1 -55.5 -50.7 58.1 38.0 2.3 130 791 A D H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 109.3 51.8 -59.2 -39.6 58.5 41.4 4.0 131 792 A I H X S+ 0 0 15 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.912 111.8 44.8 -64.9 -44.3 55.3 42.7 2.5 132 793 A N H X S+ 0 0 14 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.835 109.1 57.2 -69.5 -32.7 53.2 39.8 3.7 133 794 A Y H >< S+ 0 0 36 -4,-2.3 3,-1.9 1,-0.2 5,-0.5 0.957 105.6 50.4 -61.9 -47.5 54.8 39.9 7.2 134 795 A E H >< S+ 0 0 110 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.757 100.2 65.1 -62.4 -25.6 53.7 43.5 7.5 135 796 A K H 3< S+ 0 0 35 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.720 93.5 61.7 -69.2 -20.8 50.2 42.5 6.5 136 797 A L T << S- 0 0 1 -3,-1.9 -1,-0.2 -4,-0.6 -2,-0.2 0.686 89.7-149.9 -78.6 -17.9 50.1 40.4 9.7 137 798 A R < + 0 0 147 -3,-0.9 44,-2.5 -4,-0.5 2,-0.4 0.864 58.2 120.8 48.5 40.5 50.5 43.5 12.0 138 799 A T E -B 180 0B 6 -5,-0.5 2,-0.6 42,-0.2 42,-0.2 -0.992 64.8-134.7-136.9 120.1 52.2 41.3 14.5 139 800 A D E -B 179 0B 71 40,-1.9 40,-1.9 -2,-0.4 2,-0.4 -0.685 28.4-166.5 -76.6 121.2 55.7 41.8 15.6 140 801 A I E +B 178 0B 5 -2,-0.6 2,-0.3 38,-0.2 38,-0.2 -0.955 9.2 178.0-115.7 132.9 57.4 38.4 15.5 141 802 A K E -B 177 0B 112 36,-2.4 36,-3.2 -2,-0.4 2,-0.4 -0.972 30.1-116.6-134.2 144.0 60.8 37.6 17.2 142 803 A V E -B 176 0B 58 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.666 27.8-135.2 -81.9 129.6 62.9 34.5 17.5 143 804 A V - 0 0 9 32,-2.9 32,-0.4 -2,-0.4 2,-0.4 -0.728 28.1-107.9 -87.4 128.7 63.3 33.3 21.0 144 805 A D > - 0 0 109 -2,-0.4 3,-1.8 1,-0.2 6,-0.5 -0.463 22.7-137.7 -58.7 117.3 66.9 32.3 21.8 145 806 A K T 3 S+ 0 0 54 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.721 100.3 44.4 -48.9 -30.0 67.0 28.5 22.1 146 807 A D T 3 S+ 0 0 119 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.560 89.0 106.0 -98.5 -7.7 69.2 28.7 25.2 147 808 A S S <> S- 0 0 32 -3,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.104 83.7-107.6 -67.6 168.0 67.5 31.4 27.2 148 809 A E H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 118.1 59.0 -64.0 -38.4 65.4 30.7 30.3 149 810 A E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 108.6 44.7 -53.6 -49.5 62.2 31.5 28.4 150 811 A A H > S+ 0 0 0 -6,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.848 110.5 54.4 -66.8 -37.6 63.0 28.7 25.9 151 812 A K H X S+ 0 0 95 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.944 109.0 47.3 -63.2 -49.0 64.0 26.2 28.5 152 813 A I H X S+ 0 0 37 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.934 113.4 48.8 -58.2 -47.0 60.7 26.6 30.4 153 814 A I H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.869 109.6 50.9 -62.9 -38.6 58.7 26.3 27.2 154 815 A K H X S+ 0 0 68 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.853 110.4 51.3 -67.4 -30.2 60.6 23.1 26.1 155 816 A Q H X S+ 0 0 70 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.878 107.2 52.3 -70.7 -40.6 59.9 21.7 29.6 156 817 A Y H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 84,-0.4 0.870 112.8 46.1 -63.1 -39.9 56.2 22.5 29.1 157 818 A V H < S+ 0 0 5 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.952 116.4 42.6 -68.7 -51.5 56.2 20.6 25.8 158 819 A K H >< S+ 0 0 143 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.969 117.8 43.4 -60.3 -56.3 58.1 17.6 27.1 159 820 A N H 3< S+ 0 0 30 -4,-2.5 154,-0.9 1,-0.2 -1,-0.2 0.847 111.3 52.3 -62.2 -39.5 56.3 17.1 30.4 160 821 A T T 3< S+ 0 0 0 -4,-1.5 81,-1.3 -5,-0.3 2,-1.0 0.137 72.6 121.3 -89.0 22.8 52.7 17.6 29.2 161 822 A H < - 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