==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 20-SEP-10 3OWT . COMPND 2 MOLECULE: DNA-BINDING PROTEIN RAP1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.CHEN,Y.YANG,M.LEI . 316 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.3 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 . 6 1.9 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 . 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 2 1 1 1 0 0 4 5 3 1 0 0 0 0 0 0 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 . 3 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 1 677 A F > 0 0 145 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 11.6 9.4 -35.1 5.2 2 678 A S G > + 0 0 85 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.747 360.0 68.5 -62.0 -21.1 11.8 -32.7 3.6 3 679 A N G 3 S+ 0 0 153 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.683 94.2 59.7 -68.6 -14.4 9.8 -32.8 0.4 4 680 A E G X S+ 0 0 22 -3,-2.4 3,-2.1 1,-0.2 4,-0.5 0.506 72.0 103.4 -87.8 -6.4 7.1 -31.0 2.4 5 681 A D G X> + 0 0 75 -3,-1.4 3,-1.9 1,-0.3 4,-1.3 0.793 67.4 69.5 -47.2 -35.9 9.4 -28.0 3.1 6 682 A I G 34 S+ 0 0 125 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.862 92.6 58.4 -55.0 -37.0 7.6 -26.0 0.4 7 683 A Y G <4 S+ 0 0 81 -3,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.708 112.0 40.5 -62.9 -21.3 4.5 -25.8 2.7 8 684 A D T <4 S+ 0 0 54 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.614 97.4 78.5 -99.3 -14.2 6.6 -24.2 5.4 9 685 A N < + 0 0 119 -4,-1.3 2,-0.2 -3,-0.4 -1,-0.1 0.247 58.1 132.5 -91.6 17.4 8.6 -21.9 3.2 10 686 A I - 0 0 30 -3,-0.2 85,-0.0 -4,-0.1 3,-0.0 -0.489 58.9-124.4 -63.6 128.3 5.9 -19.2 2.7 11 687 A D > - 0 0 71 -2,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.678 10.3-152.0 -78.7 121.0 7.3 -15.7 3.3 12 688 A P G > S+ 0 0 15 0, 0.0 3,-2.1 0, 0.0 25,-0.3 0.816 92.1 69.5 -62.6 -30.7 5.3 -13.8 5.9 13 689 A D G 3 S+ 0 0 104 1,-0.3 4,-0.1 24,-0.1 -2,-0.0 0.618 91.4 61.3 -64.8 -10.6 6.1 -10.4 4.3 14 690 A T G < S+ 0 0 78 -3,-1.6 2,-0.7 1,-0.1 -1,-0.3 0.565 91.6 78.4 -87.0 -11.5 3.9 -11.5 1.4 15 691 A I S < S- 0 0 15 -3,-2.1 22,-0.5 -4,-0.2 23,-0.1 -0.874 81.8-137.7-103.5 108.7 0.9 -11.6 3.8 16 692 A S - 0 0 102 -2,-0.7 20,-0.1 20,-0.1 4,-0.1 -0.357 39.6 -86.3 -63.7 141.3 -0.5 -8.2 4.6 17 693 A F S S+ 0 0 47 1,-0.2 -1,-0.1 18,-0.2 3,-0.0 -0.858 107.1 24.2-109.4 135.5 -1.3 -7.8 8.3 18 694 A P S S- 0 0 63 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.588 88.8-135.8 -86.3 152.6 -3.8 -8.5 9.6 19 695 A P > - 0 0 6 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 -0.304 17.6-121.5 -61.9 151.3 -5.1 -11.2 7.1 20 696 A K T 3 S+ 0 0 186 1,-0.3 77,-0.1 77,-0.2 -3,-0.0 0.870 113.2 60.5 -61.7 -38.9 -8.8 -11.0 6.2 21 697 A I T 3 S+ 0 0 37 76,-0.1 2,-1.4 1,-0.1 -1,-0.3 0.604 83.0 94.5 -65.0 -11.1 -9.2 -14.6 7.6 22 698 A A < + 0 0 7 -3,-1.4 -1,-0.1 75,-0.1 2,-0.1 -0.644 58.8 162.2 -89.0 87.8 -8.1 -13.3 11.0 23 699 A T >> - 0 0 58 -2,-1.4 4,-1.7 1,-0.0 3,-0.7 -0.232 51.6 -99.2 -99.3-174.1 -11.4 -12.5 12.7 24 700 A T T 34 S+ 0 0 106 1,-0.2 -2,-0.0 2,-0.2 -1,-0.0 0.610 113.2 65.5 -86.8 -14.2 -12.4 -11.9 16.4 25 701 A D T 34 S+ 0 0 37 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.409 116.9 29.1 -83.7 3.3 -13.9 -15.3 17.0 26 702 A L T <4 S+ 0 0 21 -3,-0.7 45,-2.9 1,-0.3 2,-0.3 0.588 119.6 45.6-128.4 -35.2 -10.3 -16.7 16.6 27 703 A F B < -A 70 0A 2 -4,-1.7 -1,-0.3 43,-0.2 43,-0.2 -0.888 65.1-142.2-120.5 151.0 -7.9 -14.0 17.7 28 704 A L >> - 0 0 34 41,-2.8 3,-2.1 -2,-0.3 4,-0.7 -0.583 41.1 -92.3-103.1 166.7 -7.8 -11.6 20.7 29 705 A P H 3> S+ 0 0 76 0, 0.0 4,-0.8 0, 0.0 -1,-0.0 0.676 121.4 68.9 -58.3 -20.5 -6.6 -8.0 20.6 30 706 A L H 3> S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.892 97.7 55.9 -60.6 -36.1 -3.0 -9.0 21.5 31 707 A F H X4 S+ 0 0 0 -3,-2.1 3,-1.6 38,-0.3 -1,-0.2 0.938 105.0 47.2 -59.4 -51.3 -3.0 -10.5 18.0 32 708 A F H 3< S+ 0 0 73 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.623 98.1 73.7 -73.0 -10.4 -3.9 -7.3 16.1 33 709 A H H 3< S+ 0 0 74 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.757 74.2 104.1 -71.4 -25.8 -1.3 -5.5 18.1 34 710 A F << - 0 0 30 -3,-1.6 3,-0.1 -4,-0.5 4,-0.0 -0.193 69.2-141.7 -57.7 150.0 1.4 -7.2 16.1 35 711 A G S S+ 0 0 60 1,-0.2 2,-0.3 2,-0.0 -18,-0.2 0.568 74.8 0.1 -95.1 -10.3 3.0 -4.9 13.4 36 712 A S S > S- 0 0 38 1,-0.1 4,-1.4 -20,-0.1 -1,-0.2 -0.964 73.0-103.5-168.9 159.9 3.4 -7.5 10.7 37 713 A T H > S+ 0 0 2 -22,-0.5 4,-2.2 -25,-0.3 5,-0.2 0.875 121.5 57.3 -59.4 -37.6 2.7 -11.2 9.9 38 714 A R H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 100.9 56.2 -60.0 -45.2 6.4 -11.9 10.4 39 715 A Q H > S+ 0 0 104 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.889 110.2 46.0 -52.4 -41.4 6.2 -10.4 13.9 40 716 A F H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.901 110.9 49.9 -68.7 -44.4 3.4 -12.9 14.7 41 717 A M H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.871 108.2 54.5 -64.6 -38.0 5.1 -16.0 13.3 42 718 A D H X S+ 0 0 71 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.872 109.3 46.8 -63.4 -39.6 8.3 -15.2 15.2 43 719 A K H X S+ 0 0 78 -4,-1.3 4,-2.7 -5,-0.2 -1,-0.2 0.851 111.3 53.5 -71.2 -34.2 6.4 -15.1 18.4 44 720 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 109.6 46.4 -64.5 -45.5 4.7 -18.4 17.4 45 721 A H H X S+ 0 0 92 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.935 113.5 50.6 -61.6 -44.8 8.1 -20.1 16.8 46 722 A E H X S+ 0 0 106 -4,-2.2 4,-0.8 2,-0.2 3,-0.4 0.919 111.1 47.3 -59.4 -46.0 9.3 -18.7 20.1 47 723 A V H >< S+ 0 0 4 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.975 115.2 43.4 -61.3 -54.0 6.3 -20.0 22.1 48 724 A I H 3< S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.576 99.8 71.2 -75.2 -7.5 6.3 -23.5 20.6 49 725 A S H 3< S+ 0 0 82 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.820 79.7 103.7 -71.6 -28.6 10.1 -23.8 20.9 50 726 A G S << S- 0 0 25 -3,-1.5 2,-1.0 -4,-0.8 -3,-0.0 0.050 90.5 -95.9 -47.9 159.7 9.5 -24.0 24.6 51 727 A D + 0 0 136 248,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.744 50.0 171.4 -90.7 105.0 9.7 -27.4 26.2 52 728 A Y - 0 0 20 -2,-1.0 248,-0.1 -4,-0.2 5,-0.0 -0.967 21.8-146.9-113.2 119.9 6.3 -28.9 26.4 53 729 A E > - 0 0 111 -2,-0.5 3,-2.5 1,-0.1 249,-0.1 -0.444 38.4 -96.1 -75.5 159.4 6.0 -32.5 27.4 54 730 A P T 3 S+ 0 0 61 0, 0.0 248,-2.2 0, 0.0 3,-0.4 0.702 124.2 57.5 -48.6 -23.0 3.2 -34.6 25.9 55 731 A S T 3 S+ 0 0 86 1,-0.2 3,-0.5 246,-0.2 2,-0.1 0.566 85.4 79.9 -88.8 -10.7 1.1 -33.9 29.1 56 732 A Q <> + 0 0 60 -3,-2.5 4,-2.2 1,-0.2 -1,-0.2 -0.057 45.6 127.0 -96.0 37.0 1.2 -30.1 28.9 57 733 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.877 75.0 52.6 -52.4 -39.7 -1.5 -29.4 26.3 58 734 A E H > S+ 0 0 103 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.954 108.8 45.5 -69.9 -50.6 -3.2 -27.0 28.7 59 735 A K H > S+ 0 0 118 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.876 110.4 57.8 -58.9 -39.0 -0.2 -24.8 29.5 60 736 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.983 107.8 43.4 -54.7 -59.2 0.6 -24.7 25.8 61 737 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.890 114.3 52.1 -59.2 -37.0 -2.7 -23.3 24.7 62 738 A Q H X S+ 0 0 67 -4,-2.1 4,-3.5 2,-0.2 -1,-0.2 0.948 111.4 45.7 -62.7 -48.2 -2.7 -20.8 27.6 63 739 A D H X S+ 0 0 26 -4,-3.0 4,-3.4 2,-0.2 5,-0.5 0.888 111.9 53.4 -61.6 -37.4 0.8 -19.6 26.6 64 740 A L H X>S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 5,-1.1 0.967 113.1 42.3 -60.9 -49.9 -0.4 -19.5 23.0 65 741 A C H X5S+ 0 0 23 -4,-3.1 4,-1.0 4,-0.2 -2,-0.2 0.959 119.0 46.3 -57.3 -51.4 -3.3 -17.3 24.1 66 742 A D H <5S+ 0 0 79 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 123.3 28.5 -61.2 -47.9 -1.1 -15.2 26.4 67 743 A E H <5S+ 0 0 85 -4,-3.4 -3,-0.2 -5,-0.2 -1,-0.2 0.806 132.4 24.0 -93.2 -28.8 1.9 -14.6 24.1 68 744 A T H <5S- 0 0 0 -4,-2.3 -3,-0.2 -5,-0.5 -34,-0.1 0.658 95.6-116.3-112.9 -20.7 0.5 -14.6 20.5 69 745 A G << + 0 0 0 -5,-1.1 -41,-2.8 -4,-1.0 2,-0.5 0.490 61.0 146.5 97.5 4.4 -3.2 -13.7 20.8 70 746 A I B -A 27 0A 0 -6,-0.9 -1,-0.3 -43,-0.2 -43,-0.2 -0.638 55.4-113.9 -75.2 124.3 -4.5 -17.0 19.5 71 747 A R > - 0 0 75 -45,-2.9 4,-2.0 -2,-0.5 3,-0.3 -0.261 22.6-123.3 -58.6 146.4 -7.8 -17.8 21.2 72 748 A K H > S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.855 108.3 49.9 -67.6 -38.4 -7.5 -20.9 23.3 73 749 A N H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.823 109.1 55.1 -69.4 -27.4 -10.3 -23.0 21.8 74 750 A F H > S+ 0 0 8 -3,-0.3 4,-2.0 2,-0.2 3,-0.3 0.956 106.1 49.6 -67.3 -52.0 -8.8 -22.3 18.3 75 751 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.899 108.9 57.1 -48.2 -42.0 -5.3 -23.6 19.2 76 752 A T H X S+ 0 0 2 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.883 107.1 42.7 -64.8 -42.9 -7.1 -26.7 20.6 77 753 A S H X S+ 0 0 40 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.849 114.6 53.2 -73.4 -34.4 -8.8 -27.7 17.4 78 754 A I H >X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 3,-0.7 0.991 108.2 47.1 -56.5 -63.2 -5.7 -27.0 15.3 79 755 A L H 3<>S+ 0 0 0 -4,-2.7 5,-3.5 1,-0.3 6,-0.3 0.855 112.0 56.0 -50.8 -32.6 -3.4 -29.2 17.5 80 756 A T H ><5S+ 0 0 13 -4,-1.3 3,-1.1 -5,-0.3 -1,-0.3 0.904 108.4 42.5 -68.8 -42.4 -6.2 -31.7 17.1 81 757 A C H <<5S+ 0 0 15 -4,-2.1 30,-2.6 -3,-0.7 -1,-0.2 0.712 111.7 58.3 -76.9 -15.0 -6.2 -31.6 13.3 82 758 A L T ><5S- 0 0 3 -4,-2.3 3,-2.4 28,-0.2 -1,-0.2 0.257 113.4-119.8 -90.0 12.2 -2.3 -31.6 13.5 83 759 A S T < 5 - 0 0 8 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.775 68.8 -65.0 49.3 27.5 -2.5 -34.9 15.5 84 760 A G T 3 S+ 0 0 1 213,-1.3 3,-1.1 -2,-1.2 -1,-0.2 0.649 79.6 69.0 -55.9 -24.9 3.6 -29.0 17.2 87 763 A M G 3 S+ 0 0 124 212,-0.4 4,-0.4 1,-0.2 -1,-0.3 0.782 97.6 51.9 -68.5 -26.2 6.1 -28.8 14.4 88 764 A V G <> S+ 0 0 5 -3,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.408 85.4 94.0 -88.3 1.0 3.3 -28.4 11.9 89 765 A F H <> S+ 0 0 0 -3,-1.1 4,-1.4 1,-0.2 3,-0.2 0.918 85.1 44.3 -64.4 -48.5 1.8 -25.6 13.9 90 766 A P H > S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.877 108.9 60.6 -62.9 -32.3 3.5 -22.7 12.0 91 767 A R H > S+ 0 0 12 -4,-0.4 4,-1.9 1,-0.2 5,-0.3 0.872 100.9 54.8 -62.0 -37.4 2.6 -24.5 8.7 92 768 A Y H X S+ 0 0 7 -4,-1.6 4,-2.7 -3,-0.2 -1,-0.2 0.971 112.4 40.8 -57.8 -56.4 -1.1 -24.3 9.6 93 769 A F H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.895 112.7 52.6 -61.8 -45.2 -1.0 -20.5 10.1 94 770 A L H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.892 116.8 40.3 -61.6 -39.9 1.2 -19.7 7.1 95 771 A N H X S+ 0 0 9 -4,-1.9 4,-2.2 -5,-0.2 6,-0.2 0.865 113.8 53.6 -76.5 -37.6 -1.1 -21.7 4.8 96 772 A M H <>S+ 0 0 0 -4,-2.7 5,-1.9 -5,-0.3 4,-0.3 0.956 118.7 35.7 -57.1 -51.8 -4.3 -20.4 6.5 97 773 A F H <5S+ 0 0 4 -4,-3.0 3,-0.4 3,-0.2 -2,-0.2 0.854 115.5 54.6 -71.1 -39.8 -3.1 -16.8 6.0 98 774 A K H <5S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.942 124.1 24.0 -62.4 -48.6 -1.5 -17.4 2.6 99 775 A D T <5S- 0 0 109 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.240 104.8-123.3-101.5 12.6 -4.5 -18.9 0.9 100 776 A N T 5 + 0 0 80 -3,-0.4 2,-0.3 -4,-0.3 -3,-0.2 0.929 67.5 124.8 37.0 68.4 -7.1 -17.3 3.2 101 777 A V < - 0 0 43 -5,-1.9 -2,-0.2 -6,-0.2 -1,-0.1 -0.968 56.8-127.7-154.7 133.9 -8.7 -20.6 4.3 102 778 A N S S+ 0 0 61 -2,-0.3 -9,-0.0 1,-0.3 -10,-0.0 -0.927 98.2 14.2-130.0 106.7 -9.4 -22.2 7.7 103 779 A P S S- 0 0 49 0, 0.0 -1,-0.3 0, 0.0 -10,-0.0 0.570 96.1-117.6 -90.3 169.6 -8.3 -24.9 7.8 104 780 A P - 0 0 1 0, 0.0 3,-0.4 0, 0.0 -8,-0.1 -0.514 24.0-152.6 -67.8 128.3 -6.0 -25.3 4.8 105 781 A P S S+ 0 0 63 0, 0.0 7,-0.1 0, 0.0 2,-0.1 0.687 80.8 38.3 -80.8 -18.9 -7.6 -28.1 2.7 106 782 A N S S+ 0 0 120 2,-0.1 0, 0.0 27,-0.0 0, 0.0 -0.466 81.2 114.7-134.8 66.5 -4.6 -29.5 0.9 107 783 A V > - 0 0 5 -3,-0.4 3,-2.1 3,-0.4 26,-0.0 -0.991 64.3-116.7-139.3 123.7 -1.6 -29.6 3.2 108 784 A P T 3 S+ 0 0 10 0, 0.0 26,-0.2 0, 0.0 3,-0.1 -0.326 102.6 25.3 -63.2 141.9 0.1 -32.8 4.5 109 785 A G T 3 S+ 0 0 3 1,-0.1 2,-0.9 26,-0.1 -24,-0.2 0.118 97.2 103.3 91.0 -21.4 -0.2 -33.1 8.3 110 786 A I < - 0 0 0 -3,-2.1 2,-0.5 -28,-0.1 -3,-0.4 -0.814 61.1-157.0-100.1 98.6 -3.4 -31.0 8.4 111 787 A W - 0 0 3 -30,-2.6 2,-0.1 -2,-0.9 -28,-0.1 -0.644 8.8-162.9 -80.3 118.4 -6.2 -33.4 8.8 112 788 A T > - 0 0 22 -2,-0.5 4,-2.4 -7,-0.1 5,-0.2 -0.418 35.2-100.8 -89.8 173.5 -9.6 -32.1 7.6 113 789 A H H > S+ 0 0 126 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.948 124.8 49.8 -58.9 -49.2 -13.0 -33.4 8.5 114 790 A D H > S+ 0 0 114 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.820 107.4 55.0 -61.4 -34.7 -13.3 -35.2 5.1 115 791 A D H >> S+ 0 0 8 2,-0.2 4,-0.8 1,-0.2 3,-0.7 0.955 111.8 44.2 -59.3 -49.9 -9.9 -36.7 5.8 116 792 A D H >< S+ 0 0 41 -4,-2.4 3,-1.3 1,-0.3 4,-0.5 0.935 111.1 52.8 -62.5 -43.9 -11.2 -38.0 9.1 117 793 A E H 3< S+ 0 0 101 -4,-3.4 3,-0.3 1,-0.3 -1,-0.3 0.692 105.2 58.1 -64.2 -16.8 -14.4 -39.2 7.4 118 794 A S H X< S+ 0 0 18 -4,-0.9 3,-1.3 -3,-0.7 -1,-0.3 0.658 88.6 71.7 -87.2 -17.0 -12.2 -41.1 4.9 119 795 A L T << S+ 0 0 15 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.728 91.3 61.4 -65.7 -21.2 -10.5 -43.1 7.6 120 796 A K T 3 S+ 0 0 113 -4,-0.5 2,-0.4 -3,-0.3 -1,-0.3 0.195 85.0 106.1 -93.2 16.5 -13.8 -45.0 8.0 121 797 A S < - 0 0 33 -3,-1.3 -3,-0.0 1,-0.1 6,-0.0 -0.831 53.6-163.5-103.1 132.9 -13.7 -46.3 4.4 122 798 A N + 0 0 164 -2,-0.4 2,-0.6 4,-0.1 -1,-0.1 0.456 58.6 120.4 -83.4 -3.1 -12.9 -49.8 3.4 123 799 A D >> - 0 0 83 1,-0.2 4,-2.0 -5,-0.1 3,-1.1 -0.510 60.1-150.4 -67.9 109.3 -12.3 -48.4 -0.1 124 800 A Q H 3> S+ 0 0 79 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.872 99.6 56.1 -46.0 -40.4 -8.6 -49.3 -1.0 125 801 A E H 3> S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.870 105.2 50.8 -60.4 -38.4 -8.7 -46.1 -3.1 126 802 A Q H <> S+ 0 0 60 -3,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.860 112.0 46.0 -70.3 -37.1 -9.8 -44.0 -0.1 127 803 A I H X S+ 0 0 52 -4,-2.0 4,-2.1 2,-0.2 3,-0.4 0.956 111.5 51.5 -68.2 -50.0 -7.0 -45.3 2.1 128 804 A R H X S+ 0 0 152 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.879 106.4 57.0 -50.7 -43.0 -4.4 -44.9 -0.7 129 805 A K H X S+ 0 0 78 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.883 107.8 45.7 -59.2 -43.6 -5.6 -41.3 -1.1 130 806 A L H X>S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.4 5,-0.6 0.846 111.6 51.5 -70.7 -36.2 -4.9 -40.5 2.6 131 807 A V H X5S+ 0 0 42 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.946 109.8 50.1 -64.7 -47.4 -1.5 -42.1 2.5 132 808 A K H <5S+ 0 0 147 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 116.3 43.4 -57.9 -37.4 -0.6 -40.1 -0.6 133 809 A K H <5S+ 0 0 45 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.943 132.3 12.6 -75.0 -50.5 -1.7 -36.9 1.1 134 810 A H H <5S- 0 0 0 -4,-2.6 4,-0.3 -26,-0.2 -3,-0.2 0.620 107.1-106.8-107.3 -19.1 -0.3 -37.2 4.7 135 811 A G X< - 0 0 19 -4,-2.0 4,-2.0 -5,-0.6 -1,-0.2 -0.048 30.3 -83.7 104.5 152.9 2.2 -40.1 4.5 136 812 A T H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.959 126.3 51.1 -52.6 -53.9 2.2 -43.6 5.8 137 813 A G H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 111.2 44.7 -54.0 -46.1 3.4 -42.6 9.2 138 814 A R H > S+ 0 0 28 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.846 112.7 55.2 -70.3 -33.1 0.8 -39.9 9.8 139 815 A M H X S+ 0 0 9 -4,-2.0 4,-1.8 2,-0.2 3,-0.3 0.978 107.5 45.6 -58.7 -60.9 -1.9 -42.3 8.5 140 816 A E H X S+ 0 0 87 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.869 114.2 50.1 -57.1 -38.9 -1.1 -45.1 10.9 141 817 A M H X S+ 0 0 49 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.3 0.873 107.0 53.8 -65.5 -38.7 -1.0 -42.7 13.8 142 818 A R H X S+ 0 0 11 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.812 104.4 57.2 -68.6 -30.2 -4.3 -41.1 12.9 143 819 A K H X S+ 0 0 74 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.963 101.0 55.1 -61.2 -54.3 -5.9 -44.6 12.9 144 820 A R H < S+ 0 0 133 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 111.2 45.2 -45.5 -47.7 -4.9 -45.2 16.5 145 821 A F H >< S+ 0 0 42 -4,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.921 112.7 50.4 -63.3 -46.0 -6.6 -42.0 17.6 146 822 A F H 3< S+ 0 0 89 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.797 104.0 60.7 -62.9 -29.7 -9.7 -42.9 15.5 147 823 A E T 3< 0 0 128 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 -0.090 360.0 360.0 -90.3 33.8 -9.7 -46.3 17.1 148 824 A K < 0 0 215 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.108 360.0 360.0-153.4 360.0 -10.2 -44.7 20.5 149 !* 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 0.0 150 676 B D 0 0 201 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-114.7 -42.7 -12.7 36.4 151 677 B F + 0 0 186 2,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.566 360.0 173.9 -91.3 152.6 -41.8 -9.0 35.7 152 678 B S > - 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0 0 16 -2,-0.6 4,-2.5 -7,-0.2 5,-0.2 -0.430 36.3-100.9 -92.8 172.4 -18.6 -8.2 25.9 263 789 B H H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.931 126.7 49.2 -57.1 -46.8 -14.8 -8.4 25.7 264 790 B D H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 108.2 54.0 -60.0 -41.7 -14.7 -5.4 28.1 265 791 B D H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.953 110.0 46.9 -56.1 -50.2 -17.2 -7.2 30.5 266 792 B D H X S+ 0 0 28 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.814 110.3 53.1 -63.9 -30.9 -15.0 -10.3 30.6 267 793 B E H < S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 108.6 49.0 -74.0 -32.2 -11.9 -8.2 31.3 268 794 B S H >X S+ 0 0 14 -4,-1.9 3,-0.9 -3,-0.3 4,-0.5 0.816 102.8 63.5 -74.2 -31.1 -13.5 -6.4 34.2 269 795 B L H 3< S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.2 35.5 -63.9 -30.7 -14.6 -9.8 35.6 270 796 B K T 3< S+ 0 0 131 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.319 98.7 80.8-104.7 5.3 -11.0 -10.9 36.1 271 797 B S T <4 S- 0 0 53 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.662 80.8-150.5 -84.2 -17.5 -9.6 -7.4 37.0 272 798 B N < + 0 0 126 -4,-0.5 2,-0.7 1,-0.2 -3,-0.1 0.816 43.8 147.2 41.9 37.9 -10.9 -7.9 40.6 273 799 B D >> - 0 0 77 -5,-0.5 4,-1.9 1,-0.1 3,-0.6 -0.919 47.2-142.8 -95.4 107.8 -11.3 -4.2 40.7 274 800 B Q H 3> S+ 0 0 72 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.740 94.7 52.6 -50.9 -33.2 -14.3 -3.9 43.0 275 801 B E H 3> S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 108.9 47.9 -70.8 -47.5 -15.8 -0.9 41.2 276 802 B Q H <> S+ 0 0 84 -3,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.857 113.2 50.4 -57.2 -36.9 -15.7 -2.5 37.7 277 803 B I H X S+ 0 0 34 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.862 104.3 55.9 -74.3 -35.0 -17.3 -5.7 39.2 278 804 B R H X S+ 0 0 180 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.900 108.1 50.8 -60.1 -38.5 -20.1 -3.7 40.9 279 805 B K H X S+ 0 0 158 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.877 108.7 50.7 -66.9 -37.4 -20.9 -2.4 37.5 280 806 B L H X>S+ 0 0 5 -4,-1.6 4,-3.0 2,-0.2 5,-0.6 0.896 108.9 51.1 -65.4 -40.9 -21.0 -5.9 36.0 281 807 B V H X5S+ 0 0 43 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.904 110.2 49.2 -64.7 -40.5 -23.3 -7.1 38.7 282 808 B K H <5S+ 0 0 170 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.878 116.0 44.7 -64.6 -38.9 -25.7 -4.2 38.0 283 809 B K H <5S+ 0 0 39 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.949 133.5 12.6 -69.6 -48.8 -25.6 -5.0 34.3 284 810 B H H <5S- 0 0 4 -4,-3.0 4,-0.5 -26,-0.2 -3,-0.2 0.673 102.5-121.4-107.4 -20.6 -26.0 -8.8 34.3 285 811 B G X< - 0 0 28 -4,-2.0 4,-2.5 -5,-0.6 5,-0.1 0.007 31.2 -79.8 90.2 158.2 -27.0 -9.6 37.9 286 812 B T H > S+ 0 0 99 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.901 126.3 56.4 -62.7 -41.9 -25.4 -11.9 40.5 287 813 B G H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 112.6 39.5 -56.8 -49.2 -26.8 -15.1 38.9 288 814 B R H > S+ 0 0 56 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.900 113.5 57.7 -66.8 -40.8 -25.2 -14.4 35.5 289 815 B M H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.954 109.6 42.7 -51.8 -53.9 -22.1 -13.1 37.2 290 816 B E H X S+ 0 0 86 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.903 112.7 53.7 -64.8 -38.7 -21.5 -16.3 39.1 291 817 B M H X S+ 0 0 62 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.908 110.0 47.7 -58.7 -41.9 -22.4 -18.3 35.9 292 818 B R H X S+ 0 0 2 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.889 108.5 54.3 -68.9 -39.6 -19.7 -16.3 34.0 293 819 B K H >< S+ 0 0 90 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.927 109.5 47.5 -56.9 -45.6 -17.2 -16.9 36.9 294 820 B R H >< S+ 0 0 144 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.762 102.0 65.0 -65.5 -25.1 -18.0 -20.6 36.4 295 821 B F H 3< S+ 0 0 76 -4,-1.2 2,-0.3 1,-0.3 -1,-0.3 0.770 103.0 50.2 -66.8 -26.0 -17.5 -20.0 32.7 296 822 B F T << 0 0 107 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.1 -0.517 360.0 360.0-111.5 62.1 -13.9 -19.2 33.7 297 823 B E < 0 0 184 -3,-0.7 -3,-0.0 -2,-0.3 -4,-0.0 -0.910 360.0 360.0-137.7 360.0 -12.9 -22.2 35.8 298 !* 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 0.0 299 461 C K 0 0 96 0, 0.0 -213,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 80.9 7.7 -32.3 20.1 300 462 C M B -B 85 0B 63 -215,-0.2 2,-0.4 -214,-0.1 -215,-0.2 -0.963 360.0-132.7-124.5 136.3 4.2 -33.9 20.2 301 463 C I - 0 0 5 -217,-2.7 -246,-0.2 -2,-0.4 5,-0.1 -0.664 37.3-101.5 -83.9 131.5 1.3 -33.2 22.6 302 464 C D > - 0 0 69 -248,-2.2 4,-1.3 -2,-0.4 5,-0.1 -0.289 28.1-141.7 -51.3 130.0 -0.4 -36.3 24.0 303 465 C F H > S+ 0 0 31 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.810 96.2 60.0 -73.9 -28.2 -3.6 -36.7 21.9 304 466 C A H > S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 5,-0.3 0.945 104.1 49.4 -60.4 -50.2 -5.7 -37.7 24.9 305 467 C T H > S+ 0 0 47 1,-0.2 4,-1.1 -251,-0.2 -1,-0.2 0.856 117.4 43.1 -58.7 -36.5 -5.0 -34.5 26.8 306 468 C L H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.936 107.0 56.7 -72.8 -50.0 -6.0 -32.6 23.6 307 469 C S H X S+ 0 0 51 -4,-3.2 4,-1.0 1,-0.3 -2,-0.2 0.707 116.5 38.0 -61.4 -20.9 -9.1 -34.6 22.6 308 470 C K H X S+ 0 0 125 -4,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.669 106.9 61.9-102.2 -26.5 -10.6 -33.8 26.0 309 471 C L H X S+ 0 0 7 -4,-1.1 4,-1.2 -5,-0.3 -2,-0.2 0.752 105.6 53.4 -66.4 -22.3 -9.3 -30.3 26.3 310 472 C K H >X S+ 0 0 94 -4,-1.7 4,-1.1 2,-0.2 3,-0.9 0.977 108.3 44.3 -73.5 -60.7 -11.5 -29.8 23.2 311 473 C K H >< S+ 0 0 125 -4,-1.0 3,-0.5 1,-0.3 -2,-0.2 0.860 112.3 58.0 -48.4 -37.6 -14.7 -31.2 24.7 312 474 C K H 3< S+ 0 0 109 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.863 106.4 45.6 -62.1 -38.8 -13.7 -29.1 27.7 313 475 C Y H << S+ 0 0 58 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.549 87.7 109.4 -86.6 -8.0 -13.7 -25.9 25.8 314 476 C Q S << S- 0 0 85 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.0 -0.330 77.3-106.2 -66.4 152.0 -17.0 -26.5 24.0 315 477 C I - 0 0 25 -110,-0.0 2,-0.5 1,-0.0 -108,-0.4 -0.600 27.6-139.4 -83.7 140.9 -19.9 -24.3 25.0 316 478 C I - 0 0 92 -2,-0.3 2,-0.4 -110,-0.1 -111,-0.2 -0.867 17.7-120.3-101.7 130.0 -22.7 -25.9 27.1 317 479 C L 0 0 11 -113,-2.1 -82,-0.2 -2,-0.5 -83,-0.1 -0.520 360.0 360.0 -69.1 125.0 -26.3 -25.0 26.5 318 480 C D 0 0 111 -84,-2.5 -82,-0.3 -2,-0.4 -81,-0.2 -0.498 360.0 360.0 -70.2 360.0 -27.9 -23.4 29.6