==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-JUN-13 4L6S . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DOUGAN,MOL C.D.,LAWSON J.D. . 703 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 16.5 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 . 3 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 . 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 . 52 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 1 2 2 1 4 0 2 0 2 0 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 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 0 PARALLEL BRIDGES PER LADDER . 7 0 7 0 2 0 0 2 4 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 2 2 0 0 1 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 1 660 A H 0 0 118 0, 0.0 127,-0.2 0, 0.0 126,-0.1 0.000 360.0 360.0 360.0 174.6 40.3 5.3 16.6 2 661 A M - 0 0 118 125,-1.6 2,-0.4 1,-0.1 126,-0.1 0.350 360.0-134.4 -73.7 5.5 38.7 8.7 16.3 3 662 A K - 0 0 151 1,-0.0 -1,-0.1 2,-0.0 125,-0.1 0.240 39.2 -96.4 70.6 -12.4 35.2 7.4 17.2 4 663 A S - 0 0 17 -2,-0.4 -1,-0.0 1,-0.1 7,-0.0 0.757 17.3-142.6 75.5 127.5 33.0 9.1 14.4 5 664 A K + 0 0 175 2,-0.0 -1,-0.1 3,-0.0 3,-0.1 0.410 59.1 121.2-101.3 1.2 30.9 12.3 14.4 6 665 A L S S- 0 0 34 1,-0.1 5,-0.1 2,-0.1 126,-0.0 -0.335 77.1 -91.4 -61.4 142.8 28.0 11.1 12.2 7 666 A P > - 0 0 66 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.202 39.4-112.3 -46.7 148.2 24.6 11.3 13.8 8 667 A K H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.887 115.9 55.8 -57.8 -42.3 23.7 8.0 15.6 9 668 A P H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.899 108.5 47.9 -61.7 -35.6 20.9 7.1 13.1 10 669 A V H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.906 111.3 51.5 -67.2 -41.7 23.4 7.4 10.1 11 670 A Q H X S+ 0 0 24 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.888 110.8 47.1 -61.5 -40.6 25.9 5.2 12.1 12 671 A D H X S+ 0 0 59 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.878 110.6 53.8 -71.4 -34.8 23.3 2.5 12.7 13 672 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.3 3,-0.3 0.973 108.3 48.0 -61.0 -51.5 22.4 2.8 9.0 14 673 A I H X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.881 111.7 51.4 -53.7 -44.1 26.0 2.2 7.9 15 674 A K H < S+ 0 0 104 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.861 107.7 53.5 -56.3 -43.1 26.2 -0.8 10.3 16 675 A M H >< S+ 0 0 36 -4,-2.0 3,-0.6 -3,-0.3 -2,-0.2 0.903 113.3 40.2 -61.6 -44.3 23.0 -2.3 8.9 17 676 A I H 3< S+ 0 0 2 -4,-1.9 194,-0.3 1,-0.2 -1,-0.2 0.706 113.0 49.6 -91.0 -19.9 24.1 -2.3 5.3 18 677 A F T 3< S+ 0 0 14 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.2 0.292 76.7 132.2 -96.5 13.1 27.7 -3.4 5.5 19 678 A D <> - 0 0 62 -3,-0.6 4,-1.3 -4,-0.2 3,-0.4 -0.502 41.9-163.1 -69.7 113.8 26.9 -6.3 7.8 20 679 A V H > S+ 0 0 32 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.829 87.3 57.0 -69.1 -37.9 28.7 -9.4 6.3 21 680 A E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 105.0 52.8 -59.4 -37.9 26.6 -12.0 8.2 22 681 A S H > S+ 0 0 33 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.870 106.5 53.4 -66.3 -36.6 23.4 -10.5 6.6 23 682 A M H X S+ 0 0 1 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.961 110.7 46.5 -60.0 -48.2 25.0 -10.9 3.2 24 683 A K H X S+ 0 0 69 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.870 109.4 54.6 -64.0 -36.1 25.7 -14.6 4.0 25 684 A K H X S+ 0 0 103 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 106.8 50.3 -66.3 -40.0 22.2 -15.0 5.3 26 685 A A H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.940 110.8 51.6 -60.3 -45.4 20.7 -13.7 2.0 27 686 A M H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.5 0.938 109.1 46.9 -61.1 -47.4 22.9 -16.1 0.2 28 687 A V H ><5S+ 0 0 87 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.880 106.2 61.5 -65.0 -29.5 21.8 -19.2 2.2 29 688 A E H 3<5S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.864 103.6 49.1 -56.0 -39.2 18.2 -18.0 1.7 30 689 A Y T <<5S- 0 0 27 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.436 121.2-113.7 -81.9 1.7 18.7 -18.4 -2.1 31 690 A E T < 5 + 0 0 94 -3,-1.6 53,-2.7 -4,-0.3 2,-0.2 0.670 58.4 161.5 74.7 21.6 20.1 -21.9 -1.4 32 691 A I B < -A 83 0A 5 -5,-1.8 2,-0.9 51,-0.2 51,-0.3 -0.531 45.2-121.6 -69.4 133.6 23.7 -21.0 -2.5 33 692 A D > - 0 0 35 49,-1.9 4,-3.0 -2,-0.2 -1,-0.1 -0.730 24.4-168.9 -75.7 104.7 26.3 -23.4 -1.3 34 693 A L T 4 S+ 0 0 49 -2,-0.9 -1,-0.2 2,-0.2 5,-0.1 0.705 85.0 61.9 -70.6 -24.7 28.7 -21.1 0.7 35 694 A Q T 4 S+ 0 0 157 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.961 118.5 26.7 -58.9 -54.6 31.3 -23.8 0.8 36 695 A K T 4 S+ 0 0 143 1,-0.2 -2,-0.2 47,-0.1 -1,-0.1 0.803 136.8 29.6 -81.2 -29.9 31.5 -23.9 -3.0 37 696 A M S < S- 0 0 12 -4,-3.0 -1,-0.2 45,-0.1 -2,-0.2 -0.599 80.5-179.9-130.8 70.7 30.5 -20.2 -3.7 38 697 A P >> - 0 0 34 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.216 43.0-102.5 -74.1 168.4 31.5 -18.0 -0.7 39 698 A L G >4 S+ 0 0 10 1,-0.3 3,-1.0 2,-0.2 77,-0.1 0.875 121.7 52.6 -49.7 -45.6 31.0 -14.3 -0.4 40 699 A G G 34 S+ 0 0 49 1,-0.3 -1,-0.3 76,-0.0 -3,-0.0 0.590 107.5 54.0 -74.5 -9.8 34.6 -13.5 -1.3 41 700 A K G <4 S+ 0 0 148 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.511 76.9 118.6 -99.5 -10.4 34.3 -15.6 -4.4 42 701 A L << - 0 0 12 -3,-1.0 2,-0.3 -4,-0.7 3,-0.1 -0.369 42.7-179.8 -54.6 130.7 31.3 -13.9 -5.9 43 702 A S > - 0 0 26 1,-0.1 4,-2.0 -2,-0.1 3,-0.2 -0.996 37.8-131.2-139.4 147.7 32.2 -12.3 -9.3 44 703 A K H > S+ 0 0 107 -2,-0.3 4,-3.0 1,-0.2 5,-0.1 0.847 107.7 55.6 -59.6 -34.8 30.3 -10.3 -11.9 45 704 A R H > S+ 0 0 185 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 108.7 46.5 -76.8 -30.3 31.5 -12.5 -14.7 46 705 A Q H > S+ 0 0 87 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 112.0 51.1 -72.5 -38.4 30.2 -15.7 -13.1 47 706 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.954 111.6 48.2 -61.5 -45.5 26.9 -13.9 -12.4 48 707 A Q H X S+ 0 0 68 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.895 108.9 52.5 -60.3 -45.7 26.7 -12.9 -16.1 49 708 A A H X S+ 0 0 33 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.902 110.2 50.6 -53.6 -41.4 27.5 -16.4 -17.3 50 709 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.898 105.3 53.8 -71.1 -39.3 24.7 -17.6 -15.1 51 710 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.916 106.6 55.3 -56.4 -42.2 22.2 -15.1 -16.5 52 711 A S H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.904 107.6 46.7 -58.1 -45.4 23.1 -16.4 -20.0 53 712 A I H X S+ 0 0 26 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.907 109.2 55.2 -63.2 -39.8 22.3 -20.0 -19.2 54 713 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.883 106.1 52.1 -60.2 -40.3 19.1 -18.7 -17.6 55 714 A S H X S+ 0 0 16 -4,-2.4 4,-2.2 169,-0.3 -1,-0.2 0.920 107.2 51.9 -59.8 -44.5 18.4 -17.1 -21.0 56 715 A E H X S+ 0 0 78 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.919 109.4 50.4 -55.1 -47.1 19.0 -20.5 -22.7 57 716 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.905 107.1 53.2 -57.4 -44.6 16.5 -22.0 -20.3 58 717 A Q H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.898 108.6 52.7 -57.2 -44.0 13.9 -19.3 -21.1 59 718 A Q H X S+ 0 0 42 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.968 109.2 46.0 -51.8 -60.9 14.4 -20.2 -24.8 60 719 A A H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.761 112.9 52.2 -63.1 -24.4 13.7 -23.9 -24.2 61 720 A V H >< S+ 0 0 34 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.2 0.930 105.6 52.8 -73.5 -46.4 10.7 -23.0 -22.1 62 721 A S H 3< S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.755 118.0 38.6 -60.1 -26.9 9.1 -20.7 -24.7 63 722 A Q T 3< 0 0 99 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.097 360.0 360.0-116.8 22.4 9.4 -23.5 -27.3 64 723 A G < 0 0 70 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.146 360.0 360.0 46.7 360.0 8.5 -26.7 -25.3 65 ! 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 66 725 A S > 0 0 72 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 155.5 11.4 -31.6 -23.6 67 726 A D H > + 0 0 106 2,-0.2 4,-1.0 3,-0.1 -3,-0.0 0.670 360.0 66.3 -80.2 -18.5 12.4 -32.7 -20.1 68 727 A S H >> S+ 0 0 91 2,-0.2 3,-0.9 1,-0.1 4,-0.9 0.999 110.0 29.1 -52.8 -73.9 15.3 -34.2 -21.9 69 728 A Q H 3> S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.799 113.1 64.7 -67.5 -30.7 16.9 -31.0 -23.0 70 729 A I H 3X S+ 0 0 8 -4,-1.3 4,-2.2 1,-0.2 23,-0.3 0.834 97.6 58.8 -61.0 -30.8 15.6 -29.0 -20.1 71 730 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 3,-0.7 0.979 110.9 48.2 -54.3 -55.3 19.2 -26.7 -15.8 75 734 A N H 3X S+ 0 0 66 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.861 105.8 56.8 -56.2 -40.0 22.4 -28.5 -14.8 76 735 A R H 3X S+ 0 0 118 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.865 105.3 52.6 -60.3 -37.4 24.6 -26.0 -16.5 77 736 A F H - 0 0 51 -2,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.351 52.1-148.8-126.2 7.7 21.8 -30.0 -2.5 86 745 A G T 3 S- 0 0 55 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 -0.354 77.0 -11.9 64.4-138.6 24.3 -32.6 -1.2 87 746 A M T 3 S+ 0 0 193 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.094 113.9 137.4 -91.5 16.4 24.6 -35.8 -3.2 88 747 A K < - 0 0 107 -3,-1.5 -1,-0.2 1,-0.0 -2,-0.1 0.832 68.5-132.7 31.4-135.7 21.5 -34.6 -4.9 89 748 A K - 0 0 189 -3,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.379 47.3-131.1 95.3 91.5 20.0 -34.2 -8.3 90 749 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -15,-0.1 -0.096 33.5 -78.9 -65.2 171.5 18.9 -30.5 -7.9 91 750 A P - 0 0 72 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.594 53.1-104.3 -78.8 150.3 15.4 -29.6 -8.8 92 751 A L - 0 0 53 -2,-0.2 2,-1.0 -3,-0.1 3,-0.1 -0.393 19.0-139.9 -72.8 136.1 14.7 -29.2 -12.5 93 752 A L + 0 0 7 -23,-0.3 -19,-0.1 1,-0.2 -1,-0.1 -0.806 50.1 139.1 -94.9 94.3 14.4 -25.6 -13.9 94 753 A N + 0 0 68 -2,-1.0 2,-0.2 -20,-0.0 -1,-0.2 0.387 47.7 51.0-125.6 5.6 11.5 -26.2 -16.3 95 754 A N S > S- 0 0 57 -3,-0.1 4,-1.5 1,-0.0 -34,-0.1 -0.783 82.6-100.4-138.5-179.3 9.1 -23.3 -16.0 96 755 A A H > S+ 0 0 40 -2,-0.2 4,-2.7 2,-0.2 5,-0.1 0.785 119.2 56.2 -76.0 -31.0 8.8 -19.5 -16.1 97 756 A D H > S+ 0 0 105 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.885 105.0 53.9 -63.2 -42.3 8.6 -19.2 -12.3 98 757 A S H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.908 111.9 44.8 -51.6 -49.0 11.9 -21.0 -12.2 99 758 A V H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.896 114.3 47.7 -69.5 -40.8 13.3 -18.4 -14.5 100 759 A Q H X S+ 0 0 78 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.962 112.9 48.5 -63.2 -48.4 11.8 -15.5 -12.6 101 760 A A H X S+ 0 0 64 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.926 114.2 44.4 -63.0 -43.6 12.9 -16.7 -9.3 102 761 A K H X S+ 0 0 28 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.842 112.0 52.8 -71.2 -32.2 16.5 -17.3 -10.4 103 762 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.897 109.8 49.0 -65.8 -44.0 16.8 -14.0 -12.3 104 763 A E H X S+ 0 0 82 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.903 109.9 51.9 -60.9 -42.7 15.7 -12.1 -9.2 105 764 A M H X S+ 0 0 9 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.927 110.3 48.1 -56.7 -46.8 18.2 -14.1 -7.2 106 765 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.899 107.0 56.3 -66.3 -41.2 21.0 -13.1 -9.6 107 766 A D H X S+ 0 0 48 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.924 107.9 49.6 -49.6 -49.6 19.9 -9.4 -9.6 108 767 A N H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.899 104.8 56.8 -58.4 -42.4 20.4 -9.6 -5.8 109 768 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.836 100.5 59.3 -61.1 -33.9 23.9 -11.1 -6.1 110 769 A L H X S+ 0 0 23 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.901 108.7 44.0 -60.7 -42.5 25.0 -8.1 -8.2 111 770 A D H X S+ 0 0 23 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.917 114.1 49.8 -66.3 -41.4 24.1 -5.8 -5.3 112 771 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.868 107.4 54.2 -66.0 -33.4 25.8 -8.2 -2.7 113 772 A E H X S+ 0 0 30 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.897 107.9 50.9 -67.7 -38.4 29.0 -8.4 -4.8 114 773 A V H X S+ 0 0 10 -4,-1.4 4,-2.5 -5,-0.2 5,-0.2 0.960 110.5 47.9 -63.5 -48.5 29.2 -4.6 -4.9 115 774 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.920 114.6 45.6 -57.2 -46.9 28.8 -4.3 -1.1 116 775 A Y H X S+ 0 0 50 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.908 111.8 51.5 -67.0 -39.5 31.4 -6.9 -0.4 117 776 A S H X S+ 0 0 49 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.840 108.9 50.6 -68.1 -33.6 33.9 -5.5 -2.9 118 777 A L H < S+ 0 0 37 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.925 110.2 51.6 -62.2 -43.8 33.6 -2.0 -1.4 119 778 A L H < S+ 0 0 25 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.823 119.1 35.0 -62.0 -33.1 34.2 -3.6 2.0 120 779 A R H < S+ 0 0 156 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.593 109.0 64.8-105.5 -13.1 37.4 -5.4 0.8 121 780 A G S < S+ 0 0 43 -4,-1.9 -3,-0.0 -5,-0.2 0, 0.0 -0.090 84.8 50.3 -81.2-163.5 38.9 -2.9 -1.7 122 781 A G S S- 0 0 71 -2,-0.1 2,-0.2 2,-0.0 -3,-0.0 -0.183 93.4 -45.6 69.8-162.6 40.1 0.4 -0.4 123 782 A S - 0 0 106 10,-0.1 2,-0.6 2,-0.0 -2,-0.0 -0.681 34.9-135.7-119.4 160.3 42.5 1.1 2.5 124 783 A D + 0 0 160 -2,-0.2 2,-0.4 9,-0.0 -2,-0.0 -0.941 28.2 163.4-124.7 110.3 42.9 -0.0 6.0 125 784 A D > - 0 0 68 -2,-0.6 3,-1.6 3,-0.1 8,-0.1 -0.929 21.6-163.0-134.2 107.1 43.6 2.6 8.7 126 785 A S T 3 S+ 0 0 104 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.564 87.0 65.8 -66.3 -15.7 43.1 1.6 12.4 127 786 A S T 3 S+ 0 0 73 -126,-0.1 -125,-1.6 2,-0.1 2,-0.4 0.398 92.6 78.9 -89.4 2.8 43.0 5.2 13.6 128 787 A K S < S- 0 0 122 -3,-1.6 -3,-0.1 -127,-0.2 5,-0.0 -0.911 89.6-113.5-111.0 135.7 39.8 5.7 11.7 129 788 A D >> - 0 0 10 -2,-0.4 4,-2.1 1,-0.2 3,-0.6 -0.503 21.5-139.9 -57.9 122.5 36.4 4.7 12.8 130 789 A P H 3> S+ 0 0 68 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.782 103.0 64.5 -61.3 -23.6 35.3 2.0 10.2 131 790 A I H 3> S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.931 107.5 41.8 -56.3 -49.1 31.8 3.6 10.4 132 791 A D H <> S+ 0 0 43 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.871 113.6 52.6 -65.4 -39.5 33.4 6.7 8.8 133 792 A V H X S+ 0 0 36 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.969 114.1 41.9 -63.4 -50.8 35.5 4.7 6.4 134 793 A N H X S+ 0 0 27 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.865 108.5 58.3 -66.4 -38.6 32.5 2.8 5.1 135 794 A Y H >< S+ 0 0 21 -4,-2.4 3,-1.3 -5,-0.2 5,-0.5 0.916 105.3 53.1 -50.1 -44.5 30.2 5.8 5.0 136 795 A E H >< S+ 0 0 119 -4,-1.6 3,-1.6 1,-0.3 -2,-0.2 0.877 96.8 65.0 -67.3 -36.8 32.8 7.4 2.6 137 796 A K H 3< S+ 0 0 39 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.733 93.1 64.6 -52.2 -26.6 32.7 4.4 0.3 138 797 A L T << S- 0 0 0 -3,-1.3 -1,-0.2 -4,-0.7 45,-0.2 0.582 87.4-147.6 -79.0 -14.9 29.1 5.2 -0.6 139 798 A K < + 0 0 130 -3,-1.6 44,-3.1 -4,-0.3 2,-0.4 0.848 59.3 119.9 46.8 43.1 29.7 8.6 -2.3 140 799 A T E -B 182 0B 7 -5,-0.5 2,-0.6 42,-0.3 42,-0.2 -0.998 64.6-132.9-137.8 132.9 26.3 9.7 -1.0 141 800 A D E -B 181 0B 69 40,-2.7 40,-1.7 -2,-0.4 2,-0.5 -0.806 27.1-167.9 -85.8 122.7 25.5 12.5 1.4 142 801 A I E +B 180 0B 8 -2,-0.6 2,-0.3 38,-0.2 38,-0.2 -0.936 7.3 179.1-121.1 117.7 23.1 11.2 4.1 143 802 A K E -B 179 0B 119 36,-2.9 36,-2.2 -2,-0.5 2,-0.5 -0.845 30.2-119.2-112.8 150.7 21.2 13.6 6.4 144 803 A V E -B 178 0B 62 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.734 28.8-137.8 -81.0 125.4 18.7 13.0 9.2 145 804 A V - 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