==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-APR-09 3A1G . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE CATALYTIC SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/PUERTO . AUTHOR K.SUGIYAMA,S.-Y.PARK,E.OBAYASHI . 222 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 76.6 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 . 4 1.8 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 2 0 2 0 0 2 1 1 0 0 0 0 4 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 . 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 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 1 685 A D 0 0 157 0, 0.0 2,-0.4 0, 0.0 111,-0.1 0.000 360.0 360.0 360.0-103.7 -21.8 -21.9 -1.6 2 686 A E > - 0 0 86 1,-0.1 4,-1.7 2,-0.0 5,-0.1 -0.895 360.0-175.5-139.2 125.8 -21.4 -18.9 0.7 3 687 A Q H > S+ 0 0 160 -2,-0.4 4,-2.6 2,-0.2 5,-0.1 0.735 90.7 63.6 -74.2 -24.4 -24.0 -16.4 1.7 4 688 A X H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 105.2 43.9 -63.7 -50.7 -21.3 -14.6 3.7 5 689 A Y H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.890 114.5 52.1 -57.7 -38.4 -19.3 -13.9 0.5 6 690 A Q H X S+ 0 0 76 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.890 106.9 52.3 -66.8 -38.8 -22.7 -12.9 -1.0 7 691 A R H X S+ 0 0 139 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.889 112.3 45.1 -61.1 -43.6 -23.4 -10.5 1.8 8 692 A C H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.933 115.1 47.9 -65.6 -41.7 -20.0 -8.9 1.3 9 693 A C H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.912 110.0 52.0 -68.0 -39.9 -20.5 -8.7 -2.5 10 694 A N H < S+ 0 0 90 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.852 110.2 48.6 -60.3 -41.8 -24.0 -7.4 -2.1 11 695 A L H >X S+ 0 0 0 -4,-1.7 3,-1.5 -5,-0.2 4,-0.7 0.883 105.0 58.7 -65.5 -44.6 -22.7 -4.6 0.1 12 696 A F H >X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.3 3,-1.6 0.905 98.5 59.5 -50.2 -42.4 -19.9 -3.7 -2.2 13 697 A E H 3< S+ 0 0 51 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.686 95.2 63.7 -62.6 -20.0 -22.5 -3.0 -5.0 14 698 A K H <4 S+ 0 0 65 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.711 112.5 35.5 -73.7 -23.8 -24.0 -0.3 -2.7 15 699 A F H << S+ 0 0 0 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.720 131.2 30.9 -95.4 -29.7 -20.7 1.6 -3.0 16 700 A F S < S- 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.662 91.1-156.7-130.0 73.7 -19.9 0.6 -6.6 17 701 A P - 0 0 38 0, 0.0 5,-0.3 0, 0.0 -3,-0.1 0.170 32.1-109.5 -51.4 163.6 -23.3 0.2 -8.4 18 702 A S S S+ 0 0 109 1,-0.2 2,-3.7 -5,-0.1 3,-0.2 0.536 107.0 92.6 -72.0 -13.5 -24.2 -1.8 -11.5 19 703 A S S S- 0 0 88 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 -0.376 88.7-169.9 -60.8 57.1 -24.6 1.7 -13.0 20 704 A S + 0 0 45 -2,-3.7 2,-1.5 1,-0.2 -1,-0.2 0.412 44.8 77.0 -49.6 -42.1 -21.2 0.1 -13.3 21 705 A Y + 0 0 203 1,-0.2 -1,-0.2 -3,-0.2 -3,-0.1 -0.332 62.2 86.5 -92.6 57.5 -18.4 2.3 -14.6 22 706 A R S S- 0 0 94 -2,-1.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.370 82.3-162.7-123.4 50.0 -17.2 4.6 -11.9 23 707 A R - 0 0 158 1,-0.1 2,-0.1 -7,-0.0 -2,-0.1 0.273 18.1-126.3 -49.4 147.7 -15.0 1.6 -11.0 24 708 A P - 0 0 25 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.476 43.1 -86.6 -78.8 161.6 -13.0 0.8 -7.9 25 709 A V > - 0 0 86 1,-0.1 3,-1.7 -2,-0.1 77,-0.4 -0.590 34.1-142.7 -72.9 120.1 -9.3 0.0 -7.9 26 710 A G T 3 S+ 0 0 17 -2,-0.5 77,-3.0 1,-0.3 78,-0.3 0.816 96.8 51.6 -52.2 -36.8 -8.8 -3.7 -8.7 27 711 A I T 3 S+ 0 0 141 75,-0.2 -1,-0.3 74,-0.2 2,-0.2 0.557 89.8 97.7 -86.2 -5.3 -5.8 -4.1 -6.4 28 712 A S S < S- 0 0 19 -3,-1.7 74,-2.8 1,-0.1 75,-0.3 -0.526 82.3-107.6 -74.2 146.3 -7.5 -2.5 -3.3 29 713 A S B > -A 101 0A 8 72,-0.3 4,-2.2 -2,-0.2 72,-0.2 -0.336 34.5-109.7 -59.7 156.1 -9.1 -4.7 -0.6 30 714 A X H > S+ 0 0 4 70,-2.0 4,-2.3 67,-0.4 5,-0.2 0.946 118.7 47.9 -57.0 -48.7 -12.9 -4.5 -0.6 31 715 A V H > S+ 0 0 0 66,-2.2 4,-2.8 1,-0.2 5,-0.3 0.878 109.3 53.0 -67.0 -40.1 -13.0 -2.5 2.6 32 716 A E H > S+ 0 0 71 65,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.942 111.2 46.6 -61.4 -40.3 -10.4 -0.1 1.5 33 717 A A H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.900 113.8 48.3 -60.6 -47.2 -12.4 0.7 -1.7 34 718 A X H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.923 112.0 47.3 -66.3 -40.6 -15.6 1.0 0.1 35 719 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.900 112.0 50.7 -68.1 -42.1 -14.3 3.3 2.7 36 720 A S H X S+ 0 0 64 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.958 113.9 44.9 -56.8 -50.2 -12.5 5.5 0.1 37 721 A R H X S+ 0 0 39 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.909 109.5 55.8 -58.8 -42.4 -15.8 5.8 -1.9 38 722 A A H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 109.7 46.9 -57.4 -44.1 -17.9 6.4 1.3 39 723 A R H X S+ 0 0 69 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.926 112.4 47.4 -66.7 -47.3 -15.7 9.4 2.1 40 724 A I H X S+ 0 0 68 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.941 116.1 45.8 -60.4 -45.6 -15.7 10.9 -1.4 41 725 A D H X S+ 0 0 23 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.912 109.3 54.5 -66.7 -40.7 -19.5 10.6 -1.6 42 726 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.3 5,-0.3 0.925 109.4 47.0 -63.4 -40.9 -20.1 11.9 1.9 43 727 A R H X S+ 0 0 146 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.947 116.9 43.1 -64.3 -42.8 -18.2 15.2 1.2 44 728 A I H X S+ 0 0 86 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.911 116.5 48.1 -69.4 -42.4 -20.0 15.7 -2.2 45 729 A D H X>S+ 0 0 28 -4,-3.1 5,-1.4 2,-0.2 6,-1.2 0.855 112.0 47.8 -71.0 -33.0 -23.4 14.8 -0.8 46 730 A F H ><5S+ 0 0 82 -4,-2.4 3,-0.9 -5,-0.3 -2,-0.2 0.941 112.4 50.2 -69.2 -48.1 -23.0 17.0 2.3 47 731 A E H 3<5S+ 0 0 161 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.861 112.8 47.9 -50.2 -40.5 -21.9 19.9 -0.1 48 732 A S H 3<5S- 0 0 68 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.557 113.7-115.2 -87.7 -10.0 -25.0 19.2 -2.3 49 733 A G T <<5S+ 0 0 43 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.370 82.9 119.3 91.3 -0.6 -27.5 19.1 0.6 50 734 A R S > - 0 0 129 -2,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.518 32.2-100.1 -98.2 168.5 -27.2 16.8 6.8 53 737 A K H 3> S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.840 122.6 53.7 -56.6 -39.6 -24.2 17.7 9.0 54 738 A E H 3> S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 111.3 45.1 -64.0 -38.2 -25.1 15.0 11.6 55 739 A E H <> S+ 0 0 54 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.897 113.2 50.6 -69.2 -46.4 -25.2 12.3 8.9 56 740 A F H X S+ 0 0 42 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.948 111.7 47.1 -57.2 -54.5 -21.9 13.5 7.4 57 741 A T H X S+ 0 0 55 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.947 113.1 48.5 -55.2 -44.4 -20.1 13.5 10.8 58 742 A E H X S+ 0 0 35 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.940 111.3 50.3 -66.4 -38.9 -21.4 10.1 11.7 59 743 A I H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.927 112.0 46.7 -59.8 -43.9 -20.4 8.7 8.3 60 744 A X H X S+ 0 0 51 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.862 113.5 49.1 -71.0 -37.1 -16.8 10.1 8.6 61 745 A K H X S+ 0 0 54 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.908 110.8 50.0 -68.1 -44.3 -16.5 8.8 12.2 62 746 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.946 110.2 51.9 -60.3 -45.8 -17.7 5.3 11.1 63 747 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 108.7 48.8 -55.3 -42.9 -15.2 5.3 8.3 64 748 A S H X S+ 0 0 46 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.898 112.1 50.1 -69.3 -32.0 -12.4 6.2 10.6 65 749 A T H X S+ 0 0 3 -4,-2.1 4,-2.2 137,-0.3 -2,-0.2 0.931 110.8 48.5 -66.5 -45.6 -13.6 3.3 12.9 66 750 A I H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.886 109.3 53.4 -60.7 -43.1 -13.7 0.9 10.0 67 751 A E H X S+ 0 0 28 -4,-2.5 4,-1.7 -5,-0.2 3,-0.3 0.851 107.1 52.0 -61.1 -39.0 -10.1 2.0 9.0 68 752 A E H X S+ 0 0 39 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.914 108.9 50.2 -59.2 -46.9 -9.0 1.3 12.6 69 753 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.640 108.8 54.0 -69.0 -14.3 -10.5 -2.2 12.3 70 754 A R H >< S+ 0 0 45 -4,-1.0 3,-2.0 -3,-0.3 -1,-0.2 0.922 100.4 57.1 -79.9 -49.4 -8.7 -2.8 8.9 71 755 A R H 3< S+ 0 0 178 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.698 110.4 46.2 -59.8 -23.1 -5.2 -2.0 10.2 72 756 A Q T 3< 0 0 106 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.1 -0.237 360.0 360.0-113.6 42.3 -5.6 -4.7 12.8 73 757 A K < 0 0 135 -3,-2.0 -1,-0.3 25,-0.1 0, 0.0 -0.491 360.0 360.0 88.1 360.0 -7.0 -7.4 10.5 74 !* 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 75 -2 B G > 0 0 78 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.2 -30.8 7.1 4.0 76 -1 B G H > + 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.811 360.0 55.4 -63.6 -37.4 -28.6 4.9 1.8 77 0 B S H > S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 114.4 41.9 -64.3 -43.3 -25.3 6.5 2.8 78 1 B X H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.904 113.2 52.3 -65.5 -47.7 -26.1 5.7 6.4 79 2 B E H X S+ 0 0 82 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 112.0 45.5 -53.6 -50.4 -27.5 2.2 5.7 80 3 B R H X S+ 0 0 22 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.871 113.6 46.9 -70.9 -35.4 -24.5 1.1 3.7 81 4 B I H X S+ 0 0 1 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.2 0.897 112.8 50.3 -72.5 -38.1 -21.8 2.5 6.2 82 5 B K H X S+ 0 0 72 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.904 110.4 50.3 -62.3 -43.3 -23.6 0.9 9.1 83 6 B E H X S+ 0 0 35 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 111.1 48.3 -60.3 -46.5 -23.8 -2.4 7.3 84 7 B L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.952 111.7 50.2 -59.6 -46.1 -20.0 -2.2 6.5 85 8 B R H < S+ 0 0 8 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.935 110.9 49.7 -58.9 -40.5 -19.4 -1.4 10.2 86 9 B N H >< S+ 0 0 50 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.881 109.8 50.0 -66.4 -40.0 -21.5 -4.4 11.2 87 10 B L H >< S+ 0 0 13 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.817 107.3 54.4 -65.4 -33.1 -19.6 -6.8 8.8 88 11 B X T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.540 97.1 68.9 -76.4 -7.1 -16.3 -5.6 10.2 89 12 B S T < S+ 0 0 0 -3,-0.8 2,-0.4 -4,-0.4 89,-0.4 0.524 92.2 63.9 -88.5 -7.7 -17.5 -6.5 13.7 90 13 B Q S <> S- 0 0 50 -3,-1.0 4,-2.5 -4,-0.2 5,-0.2 -0.972 82.8-131.1-119.9 136.8 -17.5 -10.2 13.1 91 14 B S H > S+ 0 0 61 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.822 99.8 50.6 -56.6 -45.0 -14.3 -12.1 12.3 92 15 B R H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 117.2 39.2 -63.9 -50.2 -15.3 -14.1 9.2 93 16 B T H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.856 113.4 55.5 -66.4 -37.3 -16.7 -11.1 7.3 94 17 B R H X S+ 0 0 15 -4,-2.5 4,-2.2 -7,-0.2 5,-0.2 0.936 109.3 48.8 -58.4 -45.9 -13.9 -8.8 8.5 95 18 B E H X S+ 0 0 62 -4,-2.5 4,-2.4 -5,-0.2 5,-0.4 0.932 110.8 49.0 -56.8 -50.6 -11.4 -11.3 7.1 96 19 B I H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -66,-0.3 0.941 115.4 44.5 -55.5 -48.6 -13.2 -11.5 3.7 97 20 B L H < S+ 0 0 0 -4,-2.6 -66,-2.2 1,-0.2 -67,-0.4 0.811 117.7 41.4 -73.8 -30.4 -13.4 -7.7 3.4 98 21 B T H < S+ 0 0 27 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.801 122.6 37.3 -83.9 -31.7 -9.8 -6.9 4.5 99 22 B K H < S+ 0 0 121 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.748 96.3 84.7 -93.4 -33.8 -8.0 -9.7 2.6 100 23 B T < - 0 0 23 -4,-2.0 -70,-2.0 -5,-0.4 -69,-0.2 -0.591 69.2-140.4 -82.8 127.5 -10.0 -10.0 -0.7 101 24 B T B > -A 29 0A 33 -2,-0.4 3,-0.6 -72,-0.2 -72,-0.3 -0.528 20.7-118.0 -83.8 157.2 -9.0 -7.6 -3.5 102 25 B V T > S+ 0 0 11 -74,-2.8 3,-1.9 -77,-0.4 4,-0.5 0.889 113.7 57.4 -57.3 -43.9 -11.5 -6.0 -5.7 103 26 B D T 3> S+ 0 0 89 -77,-3.0 4,-0.6 1,-0.3 3,-0.4 0.804 100.3 55.8 -56.2 -37.8 -10.0 -7.8 -8.7 104 27 B H H <> S+ 0 0 100 -3,-0.6 4,-2.8 -78,-0.3 -1,-0.3 0.473 89.1 85.4 -75.9 0.8 -10.5 -11.2 -7.2 105 28 B X H <> S+ 0 0 19 -3,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.880 88.7 43.6 -77.1 -45.9 -14.3 -10.5 -6.8 106 29 B A H > S+ 0 0 69 -4,-0.5 4,-2.8 -3,-0.4 -1,-0.2 0.908 114.8 56.4 -58.5 -40.7 -15.6 -11.5 -10.2 107 30 B I H X S+ 0 0 99 -4,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.952 114.0 34.7 -58.5 -59.6 -13.3 -14.5 -9.7 108 31 B I H >< S+ 0 0 59 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.917 117.7 55.2 -58.7 -47.6 -14.8 -15.7 -6.4 109 32 B K H >< S+ 0 0 78 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.864 98.7 61.8 -55.7 -38.0 -18.3 -14.6 -7.5 110 33 B K H 3< S+ 0 0 158 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.880 109.7 41.2 -57.2 -37.0 -18.1 -16.7 -10.7 111 34 B Y T << 0 0 167 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.082 360.0 360.0-104.4 21.1 -17.8 -19.8 -8.6 112 35 B T < 0 0 61 -3,-1.8 -2,-0.2 -111,-0.1 -3,-0.1 0.663 360.0 360.0-106.0 360.0 -20.4 -18.7 -6.1 113 !* 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 0.0 114 685 C D > 0 0 128 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.2 -23.9 17.5 25.1 115 686 C E H > + 0 0 120 2,-0.2 4,-2.1 1,-0.1 5,-0.0 0.477 360.0 69.0 -66.2 -18.0 -24.8 16.3 28.5 116 687 C Q H > S+ 0 0 164 2,-0.2 4,-1.9 3,-0.2 -1,-0.1 0.782 90.8 52.4 -78.9 -30.5 -26.9 14.2 26.0 117 688 C X H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.936 115.8 42.8 -62.9 -48.9 -23.8 12.3 24.7 118 689 C Y H X S+ 0 0 56 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.890 112.5 53.8 -59.8 -41.2 -23.0 11.5 28.4 119 690 C Q H X S+ 0 0 78 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.867 104.5 54.9 -64.9 -37.1 -26.7 10.8 28.9 120 691 C R H X S+ 0 0 101 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.875 107.6 49.8 -59.2 -45.4 -26.7 8.3 26.0 121 692 C C H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.903 110.9 49.6 -63.0 -44.4 -23.8 6.4 27.6 122 693 C C H X S+ 0 0 17 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.902 108.6 50.7 -61.6 -48.2 -25.7 6.2 31.0 123 694 C N H < S+ 0 0 87 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.850 113.2 47.6 -56.3 -38.4 -28.9 4.9 29.5 124 695 C L H >X S+ 0 0 2 -4,-1.5 3,-1.6 1,-0.2 4,-0.8 0.934 107.2 55.5 -73.6 -44.7 -26.9 2.2 27.7 125 696 C F H >X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.3 3,-1.3 0.887 100.8 60.0 -48.8 -42.1 -25.0 1.4 30.9 126 697 C E H 3< S+ 0 0 116 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.703 96.0 60.9 -65.3 -19.2 -28.3 0.8 32.6 127 698 C K H <4 S+ 0 0 81 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.756 111.9 39.3 -75.1 -23.3 -29.1 -1.9 30.1 128 699 C F H << S+ 0 0 0 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.2 0.736 131.4 27.0 -90.0 -28.7 -26.0 -3.7 31.4 129 700 C F S < S+ 0 0 14 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.631 81.6 179.0-137.1 72.8 -26.5 -2.9 35.0 130 701 C P > - 0 0 38 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 -0.287 42.1-114.7 -73.7 162.0 -30.2 -2.4 35.7 131 702 C S T 3 S+ 0 0 114 1,-0.3 -5,-0.0 -5,-0.1 0, 0.0 0.784 115.2 68.1 -65.3 -26.6 -31.6 -1.6 39.1 132 703 C S T 3 S+ 0 0 111 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.439 91.7 81.1 -71.3 -0.2 -33.3 -5.0 39.0 133 704 C S < - 0 0 10 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 -0.876 56.7-165.4-113.8 142.6 -29.9 -6.6 39.2 134 705 C Y S S+ 0 0 178 -2,-0.4 2,-1.2 2,-0.1 -1,-0.1 0.533 71.0 99.3 -95.6 -15.7 -27.7 -7.3 42.2 135 706 C R - 0 0 123 -5,-0.1 -2,-0.1 15,-0.0 15,-0.0 -0.664 65.4-169.7 -68.3 98.1 -24.7 -8.0 39.9 136 707 C R - 0 0 168 -2,-1.2 -2,-0.1 1,-0.1 3,-0.1 -0.727 20.5-106.6 -99.0 149.6 -23.1 -4.5 40.3 137 708 C P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.294 36.1-103.2 -69.4 150.1 -20.3 -3.1 38.2 138 709 C V > - 0 0 91 1,-0.1 3,-0.9 4,-0.1 77,-0.4 -0.634 27.3-138.0 -78.1 131.5 -16.7 -2.7 39.5 139 710 C G T 3 S+ 0 0 19 -2,-0.4 77,-2.5 1,-0.2 78,-0.3 0.800 97.6 49.7 -58.0 -36.9 -16.1 0.9 40.4 140 711 C I T 3 S+ 0 0 147 75,-0.2 -1,-0.2 74,-0.1 2,-0.2 0.612 90.9 100.4 -83.6 -11.6 -12.6 1.3 39.1 141 712 C S S < S- 0 0 11 -3,-0.9 74,-2.8 1,-0.1 75,-0.2 -0.475 80.8-110.9 -69.2 140.9 -13.5 -0.2 35.7 142 713 C S B > -B 214 0B 10 72,-0.3 4,-2.5 -2,-0.2 72,-0.3 -0.373 33.3-109.4 -60.3 152.6 -14.1 2.0 32.7 143 714 C X H > S+ 0 0 0 70,-2.4 4,-2.2 66,-0.3 5,-0.2 0.910 119.4 48.9 -50.9 -49.3 -17.7 2.0 31.6 144 715 C V H > S+ 0 0 0 66,-2.5 4,-2.8 2,-0.2 5,-0.3 0.917 109.1 50.1 -61.6 -47.4 -16.8 0.0 28.4 145 716 C E H > S+ 0 0 74 65,-0.3 4,-2.6 1,-0.2 5,-0.2 0.942 112.3 49.4 -61.0 -41.4 -14.8 -2.6 30.2 146 717 C A H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.918 112.8 46.2 -56.5 -47.6 -17.7 -3.1 32.7 147 718 C X H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.917 113.7 46.6 -68.8 -44.9 -20.3 -3.5 30.1 148 719 C V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.935 112.3 51.4 -63.4 -43.1 -18.3 -5.8 27.9 149 720 C S H X S+ 0 0 69 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.955 113.6 45.4 -57.7 -48.4 -17.4 -8.0 30.9 150 721 C R H X S+ 0 0 27 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.912 110.4 52.6 -58.7 -45.3 -21.1 -8.1 31.9 151 722 C A H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.904 111.0 48.1 -63.5 -39.0 -22.3 -8.9 28.3 152 723 C R H X S+ 0 0 51 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.936 112.5 47.2 -65.3 -47.9 -19.8 -11.8 28.1 153 724 C I H X S+ 0 0 80 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.945 116.6 45.4 -54.2 -51.2 -20.9 -13.3 31.5 154 725 C D H X S+ 0 0 23 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.872 109.9 53.6 -61.0 -42.9 -24.6 -12.9 30.4 155 726 C A H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.928 109.2 49.1 -62.1 -44.3 -24.1 -14.4 27.0 156 727 C R H X S+ 0 0 125 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.913 114.3 44.3 -58.6 -46.3 -22.4 -17.5 28.4 157 728 C I H X S+ 0 0 88 -4,-1.9 4,-2.2 1,-0.2 6,-0.2 0.909 113.9 49.7 -69.8 -38.8 -25.2 -18.0 30.9 158 729 C D H X>S+ 0 0 25 -4,-2.7 6,-1.8 2,-0.2 5,-1.3 0.824 112.2 48.0 -71.3 -32.3 -28.0 -17.3 28.4 159 730 C F H <5S+ 0 0 85 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.927 111.7 50.3 -69.8 -44.6 -26.4 -19.8 25.9 160 731 C E H <5S+ 0 0 158 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.870 114.0 45.2 -61.0 -37.9 -26.1 -22.4 28.6 161 732 C S H <5S- 0 0 83 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.717 113.1-115.2 -80.7 -21.0 -29.7 -21.9 29.6 162 733 C G T <5S+ 0 0 31 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.421 82.3 122.9 95.4 0.9 -31.1 -21.9 26.1 163 734 C R S - 0 0 126 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.396 31.2-104.5 -89.4 164.3 -29.2 -19.6 20.3 166 737 C K H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.898 121.2 52.1 -59.0 -41.5 -25.6 -20.5 19.1 167 738 C E H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 111.7 46.9 -62.7 -40.8 -25.7 -18.0 16.3 168 739 C E H > S+ 0 0 48 2,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.918 111.2 51.1 -64.5 -47.6 -26.7 -15.2 18.7 169 740 C F H X S+ 0 0 39 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.943 111.5 48.0 -50.5 -55.7 -24.0 -16.2 21.3 170 741 C T H X S+ 0 0 52 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.902 111.8 49.4 -57.4 -41.5 -21.4 -16.1 18.5 171 742 C E H X S+ 0 0 50 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.930 111.7 48.4 -66.4 -44.4 -22.5 -12.7 17.3 172 743 C I H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.939 112.9 47.8 -59.5 -44.4 -22.5 -11.3 20.8 173 744 C X H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 111.8 49.8 -68.1 -38.4 -19.0 -12.6 21.5 174 745 C K H X S+ 0 0 51 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.895 110.8 49.5 -65.2 -42.5 -17.6 -11.3 18.2 175 746 C I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 110.2 50.6 -63.1 -39.6 -19.1 -7.9 18.8 176 747 C C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 109.3 52.2 -63.4 -40.9 -17.5 -7.9 22.4 177 748 C S H X S+ 0 0 60 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.914 110.1 48.0 -62.2 -39.7 -14.2 -8.8 20.8 178 749 C T H X S+ 0 0 5 -4,-2.1 4,-1.9 -89,-0.4 -2,-0.2 0.900 111.0 50.1 -67.9 -40.2 -14.5 -5.9 18.4 179 750 C I H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.894 108.1 53.5 -67.0 -38.0 -15.4 -3.4 21.1 180 751 C E H X S+ 0 0 29 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.910 108.3 49.9 -61.2 -41.2 -12.4 -4.6 23.2 181 752 C E H X S+ 0 0 31 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.867 108.9 53.1 -62.1 -39.2 -10.2 -4.0 20.2 182 753 C L H < S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 107.4 53.6 -66.1 -30.7 -11.7 -0.5 19.8 183 754 C R H < S+ 0 0 55 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.983 111.6 38.8 -62.1 -60.8 -10.9 0.3 23.5 184 755 C R H < S+ 0 0 181 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.549 95.7 100.5 -76.7 -15.4 -7.2 -0.5 23.7 185 756 C Q < 0 0 36 -4,-1.0 -117,-0.0 1,-0.2 -3,-0.0 -0.254 360.0 360.0 -81.2 163.1 -6.2 1.0 20.3 186 757 C K 0 0 237 -118,-0.1 -1,-0.2 -2,-0.0 -2,-0.1 -0.497 360.0 360.0 83.0 360.0 -4.6 4.4 19.6 187 !* 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 0.0 188 -2 D G > 0 0 86 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 147.8 -33.5 -9.5 21.8 189 -1 D G H > + 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.832 360.0 54.7 -62.6 -35.3 -32.3 -7.3 24.7 190 0 D S H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.900 113.8 41.1 -65.0 -46.2 -28.8 -8.9 24.7 191 1 D X H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.903 112.8 53.5 -68.1 -45.4 -28.2 -8.2 21.1 192 2 D E H X S+ 0 0 87 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 110.3 46.2 -62.4 -42.9 -29.7 -4.8 21.0 193 3 D R H X S+ 0 0 22 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.893 112.6 49.2 -66.8 -40.4 -27.5 -3.5 23.9 194 4 D I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.919 113.1 47.3 -69.0 -37.4 -24.3 -4.9 22.5 195 5 D K H X S+ 0 0 77 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.874 110.2 52.5 -68.9 -38.1 -25.0 -3.5 19.0 196 6 D E H X S+ 0 0 65 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.910 110.3 48.6 -58.5 -45.4 -25.8 -0.1 20.6 197 7 D L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 110.1 51.6 -60.1 -42.4 -22.4 -0.3 22.5 198 8 D R H < S+ 0 0 11 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.931 110.0 50.0 -59.6 -44.0 -20.8 -1.1 19.1 199 9 D N H >< S+ 0 0 23 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.907 110.7 49.3 -61.2 -42.6 -22.5 1.9 17.6 200 10 D L H >< S+ 0 0 6 -4,-2.6 3,-1.0 1,-0.2 7,-0.3 0.861 107.5 53.2 -64.5 -35.5 -21.3 4.2 20.5 201 11 D X T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.511 98.9 67.5 -77.0 -4.3 -17.7 3.0 20.2 202 12 D S T < S+ 0 0 0 -3,-1.1 2,-0.4 -4,-0.4 -137,-0.3 0.498 91.4 66.4 -90.3 -9.5 -17.8 3.9 16.5 203 13 D Q S <> S- 0 0 23 -3,-1.0 4,-2.3 -4,-0.3 5,-0.2 -0.971 83.1-135.2-120.8 126.6 -18.1 7.6 17.1 204 14 D S H > S+ 0 0 59 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.767 96.8 52.1 -61.2 -34.1 -15.0 9.2 18.7 205 15 D R H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.971 115.2 38.8 -68.1 -54.0 -16.7 11.4 21.4 206 16 D T H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.827 115.0 55.0 -70.0 -31.0 -18.8 8.7 22.9 207 17 D R H X S+ 0 0 19 -4,-2.3 4,-2.3 -7,-0.3 5,-0.3 0.938 107.6 50.2 -60.5 -47.7 -15.9 6.2 22.6 208 18 D E H X S+ 0 0 83 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.952 113.5 46.3 -53.0 -53.6 -13.8 8.7 24.5 209 19 D I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -66,-0.3 0.951 114.9 45.4 -53.2 -55.0 -16.5 8.9 27.3 210 20 D L H < S+ 0 0 0 -4,-2.9 -66,-2.5 1,-0.2 -65,-0.3 0.802 117.9 43.0 -65.3 -32.1 -17.0 5.1 27.5 211 21 D T H < S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.827 122.1 34.9 -84.4 -33.1 -13.3 4.3 27.5 212 22 D K H < S+ 0 0 143 -4,-2.4 2,-0.5 -5,-0.3 -2,-0.2 0.733 96.3 87.1 -96.7 -23.7 -12.1 6.9 29.9 213 23 D T < - 0 0 12 -4,-2.5 -70,-2.4 -5,-0.3 -69,-0.2 -0.652 68.1-143.1 -84.5 124.0 -14.9 7.3 32.4 214 24 D T B -B 142 0B 31 -2,-0.5 3,-0.4 -72,-0.3 4,-0.3 -0.510 22.1-116.4 -82.7 158.4 -14.8 5.0 35.4 215 25 D V S > S+ 0 0 10 -74,-2.8 3,-2.1 -77,-0.4 4,-0.5 0.923 115.3 57.2 -59.4 -42.4 -18.0 3.5 36.8 216 26 D D T >> S+ 0 0 94 -77,-2.5 4,-0.8 1,-0.3 3,-0.6 0.866 100.1 56.3 -53.9 -40.3 -17.3 5.3 40.1 217 27 D H H 3> S+ 0 0 97 -3,-0.4 4,-3.0 -78,-0.3 -1,-0.3 0.507 90.3 80.4 -74.4 1.8 -17.2 8.7 38.4 218 28 D X H <> S+ 0 0 32 -3,-2.1 4,-2.0 -4,-0.3 -1,-0.2 0.854 90.4 46.4 -78.9 -44.4 -20.7 8.1 37.0 219 29 D A H <> S+ 0 0 77 -3,-0.6 4,-2.0 -4,-0.5 -1,-0.2 0.967 117.2 50.3 -54.4 -53.1 -22.7 9.0 40.1 220 30 D I H >X S+ 0 0 90 -4,-0.8 4,-1.0 2,-0.2 3,-0.7 0.946 116.1 34.8 -51.3 -70.1 -20.4 12.1 40.2 221 31 D I H >< S+ 0 0 52 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.902 117.1 56.3 -56.3 -40.9 -20.6 13.4 36.6 222 32 D K H >< S+ 0 0 47 -4,-2.0 3,-1.2 -5,-0.3 -1,-0.2 0.799 97.2 63.1 -68.2 -25.8 -24.3 12.4 36.5 223 33 D K H << S+ 0 0 160 -4,-2.0 -1,-0.2 -3,-0.7 -2,-0.2 0.893 109.0 40.8 -60.3 -37.5 -25.1 14.5 39.6 224 34 D Y T << 0 0 170 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 -0.015 360.0 360.0-106.4 29.1 -24.2 17.7 37.7 225 35 D T < 0 0 82 -3,-1.2 -3,-0.1 -110,-0.0 -2,-0.1 0.530 360.0 360.0 -96.8 360.0 -25.8 16.7 34.4