==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-09 3IV9 . COMPND 2 MOLECULE: METHIONINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.A.PATTRIDGE,M.KOUTMOS,J.L.SMITH . 577 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 34 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 2 2 2 1 0 6 1 1 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 651 A Q 0 0 261 0, 0.0 2,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -30.9 -36.6 -89.3 -0.7 2 652 A A > - 0 0 37 1,-0.2 3,-1.8 3,-0.1 4,-0.3 -0.833 360.0-147.0 -95.2 110.3 -33.7 -87.0 -1.5 3 653 A E T 3 S+ 0 0 140 -2,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.738 100.4 46.3 -45.2 -29.1 -30.8 -89.2 -2.7 4 654 A W T > S+ 0 0 40 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.697 101.5 63.8 -89.7 -19.6 -28.3 -86.8 -1.1 5 655 A R T < S+ 0 0 47 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.309 93.1 70.0 -83.4 9.3 -30.3 -86.5 2.2 6 656 A S T 3 S+ 0 0 75 -3,-0.4 -1,-0.2 -4,-0.3 2,-0.2 -0.105 82.6 87.0-117.2 32.9 -29.5 -90.2 2.6 7 657 A W S < S- 0 0 106 -3,-0.7 2,-0.1 1,-0.1 5,-0.1 -0.723 93.2 -68.5-122.8 173.9 -25.8 -90.0 3.2 8 658 A E >> - 0 0 109 -2,-0.2 3,-3.7 1,-0.2 4,-1.4 -0.451 46.7-119.7 -64.8 134.3 -23.6 -89.5 6.4 9 659 A V H 3> S+ 0 0 7 1,-0.3 4,-0.5 2,-0.2 23,-0.2 0.640 115.1 61.2 -49.7 -14.6 -24.1 -86.0 7.7 10 660 A N H 34 S+ 0 0 46 2,-0.2 4,-0.3 1,-0.1 -1,-0.3 0.597 107.9 40.5 -89.5 -13.1 -20.4 -85.6 7.1 11 661 A K H <> S+ 0 0 119 -3,-3.7 4,-0.6 2,-0.2 -2,-0.2 0.524 113.8 52.3-107.1 -13.9 -20.7 -86.2 3.3 12 662 A R H X S+ 0 0 29 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.654 105.4 57.6 -90.3 -22.2 -23.8 -84.2 3.0 13 663 A L H X S+ 0 0 0 -4,-0.5 4,-2.0 -5,-0.4 -2,-0.2 0.860 104.1 50.0 -73.8 -38.1 -22.0 -81.4 4.7 14 664 A E H > S+ 0 0 56 -4,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.855 112.3 50.3 -66.2 -33.4 -19.3 -81.5 2.0 15 665 A Y H >X S+ 0 0 68 -4,-0.6 4,-3.6 2,-0.2 3,-0.6 0.929 108.3 49.6 -69.0 -48.0 -22.3 -81.4 -0.4 16 666 A S H 3<>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.3 -2,-0.2 0.852 112.9 49.1 -60.3 -34.2 -23.8 -78.4 1.3 17 667 A L H 3<5S+ 0 0 0 -4,-2.0 -1,-0.3 3,-0.2 -2,-0.2 0.684 120.4 36.5 -78.7 -19.2 -20.4 -76.7 1.2 18 668 A V H <<5S+ 0 0 37 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.2 0.873 123.1 37.5 -97.4 -54.0 -20.1 -77.5 -2.5 19 669 A K T <5S- 0 0 137 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.1 0.274 113.0-119.8 -81.3 12.2 -23.6 -77.2 -3.9 20 670 A G T 5 + 0 0 23 -5,-0.3 2,-0.4 1,-0.2 -3,-0.2 0.952 52.2 161.8 47.1 76.5 -23.9 -74.2 -1.6 21 671 A I < + 0 0 29 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.1 -0.983 22.8 165.8-130.9 122.7 -26.8 -75.2 0.7 22 672 A T + 0 0 43 -2,-0.4 4,-0.4 2,-0.1 -1,-0.1 0.205 61.4 91.0-115.0 10.6 -27.6 -73.6 4.0 23 673 A E S S+ 0 0 160 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.930 105.4 20.4 -71.5 -46.8 -31.1 -75.1 4.3 24 674 A F S > S+ 0 0 66 1,-0.1 4,-2.5 2,-0.1 -1,-0.2 0.101 99.9 105.8-107.1 19.0 -30.0 -78.2 6.1 25 675 A I H > S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 5,-0.2 0.917 72.7 53.3 -66.8 -46.3 -26.7 -76.6 7.3 26 676 A E H > S+ 0 0 115 -4,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.817 117.8 38.3 -60.8 -31.1 -27.5 -76.1 10.9 27 677 A Q H > S+ 0 0 79 2,-0.2 4,-3.7 3,-0.2 5,-0.3 0.874 115.0 51.3 -85.4 -41.6 -28.5 -79.8 11.3 28 678 A D H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.534 117.7 43.3 -71.1 -4.9 -25.7 -81.1 9.1 29 679 A T H < S+ 0 0 0 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.638 117.4 43.3-108.4 -28.6 -23.4 -79.0 11.3 30 680 A E H X S+ 0 0 18 -4,-0.9 4,-1.9 -5,-0.2 5,-0.2 0.849 110.5 54.7 -85.3 -38.8 -25.0 -80.0 14.6 31 681 A E H X S+ 0 0 69 -4,-3.7 4,-2.3 1,-0.3 3,-0.3 0.928 113.1 42.8 -59.2 -46.3 -25.3 -83.7 13.8 32 682 A A H 4 S+ 0 0 3 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.686 112.2 57.0 -72.3 -17.9 -21.6 -83.8 13.0 33 683 A R H 4 S+ 0 0 39 -6,-0.2 -2,-0.2 -4,-0.2 3,-0.2 0.759 111.1 40.9 -82.6 -27.9 -21.2 -81.6 16.1 34 684 A Q H < S+ 0 0 137 -4,-1.9 -2,-0.2 -3,-0.3 -3,-0.2 0.801 110.0 56.5 -86.4 -35.2 -22.9 -84.2 18.3 35 685 A Q S < S+ 0 0 141 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 0.260 105.3 78.3 -77.8 12.8 -21.1 -87.1 16.5 36 686 A A S S- 0 0 16 -3,-0.2 -3,-0.0 1,-0.2 6,-0.0 -0.962 71.0-149.9-126.4 141.9 -18.1 -85.1 17.7 37 687 A T S S+ 0 0 94 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.0 0.964 85.4 30.2 -70.4 -87.0 -16.4 -84.9 21.1 38 688 A R S > S- 0 0 123 1,-0.1 3,-1.4 2,-0.0 2,-0.9 -0.665 94.4-113.6 -81.1 120.5 -14.9 -81.4 21.4 39 689 A P T 3 S+ 0 0 15 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.356 102.5 56.3 -57.7 94.8 -16.8 -78.8 19.3 40 690 A a T 3> S+ 0 0 8 -2,-0.9 4,-2.0 -7,-0.0 5,-0.2 0.161 72.5 95.5 163.5 -7.3 -14.4 -77.8 16.6 41 691 A E T <4 S+ 0 0 69 -3,-1.4 4,-0.4 2,-0.2 -8,-0.1 0.815 87.7 52.3 -70.5 -30.9 -13.6 -81.2 15.0 42 692 A V T 4>S+ 0 0 2 2,-0.2 5,-2.0 3,-0.2 6,-0.5 0.910 106.1 54.4 -69.3 -42.2 -16.4 -80.4 12.5 43 693 A I I 4>S+ 0 0 31 1,-0.3 5,-0.6 4,-0.2 -2,-0.2 0.932 120.7 30.4 -54.8 -50.2 -14.6 -77.1 11.8 44 694 A E I <5S+ 0 0 84 -4,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.432 127.5 52.4 -89.3 -1.4 -11.3 -78.9 11.0 45 695 A G I >5S- 0 0 11 -4,-0.4 4,-3.4 -3,-0.2 3,-0.5 0.460 120.5 -4.3-101.8-120.3 -13.3 -81.9 9.8 46 696 A P I 45S+ 0 0 7 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.734 128.8 60.9 -48.8 -28.9 -16.1 -82.1 7.1 47 697 A L I >> S+ 0 0 0 -3,-0.7 4,-3.3 -5,-0.3 3,-0.3 0.682 112.4 55.6-113.0 -39.1 -15.1 -80.0 2.0 51 701 A M H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.3 -3,-0.2 0.888 106.5 53.1 -62.6 -39.2 -13.4 -76.6 1.6 52 702 A N H X S+ 0 0 78 -4,-2.5 4,-2.4 2,-0.2 -1,-0.3 0.758 111.5 48.1 -65.8 -23.2 -10.4 -78.5 0.4 53 703 A V H > S+ 0 0 44 -3,-0.3 4,-3.1 2,-0.2 5,-0.4 0.903 108.4 51.5 -79.9 -46.8 -12.8 -80.0 -2.1 54 704 A V H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.915 116.0 44.4 -54.6 -43.2 -14.2 -76.7 -3.0 55 705 A G H X S+ 0 0 23 -4,-3.1 4,-3.0 67,-0.2 5,-0.3 0.972 112.2 48.0 -66.5 -57.0 -10.7 -75.6 -3.6 56 706 A D H X S+ 0 0 112 -4,-2.4 4,-0.5 1,-0.3 -2,-0.2 0.891 116.9 44.4 -51.8 -43.8 -9.5 -78.7 -5.5 57 707 A L H <>S+ 0 0 43 -4,-3.1 5,-3.3 1,-0.2 6,-0.5 0.848 111.2 56.1 -69.2 -33.9 -12.6 -78.5 -7.7 58 708 A F H ><5S+ 0 0 74 -4,-1.7 3,-1.4 -5,-0.4 5,-0.4 0.930 107.8 46.7 -62.2 -47.9 -12.0 -74.7 -8.0 59 709 A G H 3<5S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.566 108.3 57.0 -72.9 -9.7 -8.5 -75.2 -9.3 60 710 A E T 3<5S- 0 0 111 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.275 117.9-110.6-101.6 7.7 -9.7 -77.8 -11.8 61 711 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.787 89.6 119.6 68.0 26.0 -12.1 -75.4 -13.3 62 712 A K S > - 0 0 41 -2,-0.3 4,-2.7 1,-0.1 3,-1.5 -0.953 35.4 -99.1-143.3 160.7 -15.8 -70.6 -9.9 65 715 A L H 3> S+ 0 0 8 240,-0.3 4,-2.6 -2,-0.3 5,-0.3 0.890 119.3 61.5 -46.5 -48.0 -15.6 -67.7 -7.5 66 716 A P H 34 S+ 0 0 4 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.859 114.0 36.8 -48.8 -36.8 -19.3 -67.0 -7.8 67 717 A Q H X> S+ 0 0 47 -3,-1.5 4,-1.8 2,-0.2 3,-0.8 0.877 111.0 58.4 -82.8 -42.4 -20.0 -70.5 -6.5 68 718 A V H 3X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.3 -3,-0.2 0.813 103.9 55.2 -57.4 -30.8 -17.1 -70.5 -4.0 69 719 A V H 3X S+ 0 0 4 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.3 0.799 107.4 48.1 -72.6 -30.0 -18.7 -67.4 -2.4 70 720 A K H <> S+ 0 0 60 -3,-0.8 4,-1.1 -4,-0.5 -2,-0.2 0.759 113.1 50.0 -78.9 -25.2 -21.9 -69.3 -2.0 71 721 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 3,-0.3 0.903 106.6 52.7 -76.2 -44.7 -19.9 -72.1 -0.5 72 722 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.749 104.2 60.2 -62.7 -23.5 -18.1 -69.8 1.9 73 723 A R H X S+ 0 0 50 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.923 105.2 45.4 -69.8 -44.7 -21.5 -68.6 3.0 74 724 A V H X S+ 0 0 0 -4,-1.1 4,-1.1 -3,-0.3 -2,-0.2 0.861 112.4 53.2 -65.0 -36.3 -22.5 -72.1 4.1 75 725 A M H X S+ 0 0 20 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.766 113.2 42.8 -70.0 -27.8 -19.1 -72.4 5.8 76 726 A K H X S+ 0 0 42 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.758 113.9 49.0 -89.3 -28.6 -19.7 -69.1 7.7 77 727 A Q H < S+ 0 0 51 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.669 112.2 51.9 -80.6 -18.4 -23.4 -69.9 8.6 78 728 A A H >X S+ 0 0 0 -4,-1.1 4,-1.1 -5,-0.2 3,-0.5 0.816 114.6 40.5 -82.8 -35.7 -22.0 -73.3 9.8 79 729 A V H 3< S+ 0 0 52 -4,-0.9 4,-0.3 1,-0.2 -2,-0.2 0.766 106.2 65.0 -81.1 -28.0 -19.4 -71.5 11.9 80 730 A A T 3< S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.457 108.0 43.3 -72.9 -0.1 -22.1 -68.9 12.9 81 731 A Y T <4 S+ 0 0 65 -3,-0.5 4,-0.5 2,-0.1 -1,-0.2 0.667 113.0 48.2-111.5 -34.9 -23.8 -71.9 14.6 82 732 A L S < S+ 0 0 1 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.230 86.9 92.4 -91.7 11.6 -20.8 -73.5 16.2 83 733 A E S > S+ 0 0 80 -4,-0.3 3,-0.9 2,-0.1 4,-0.4 0.928 87.6 44.7 -70.3 -46.0 -19.6 -70.1 17.6 84 734 A P G >> S+ 0 0 62 0, 0.0 3,-1.8 0, 0.0 4,-1.7 0.937 107.7 54.5 -64.1 -50.3 -21.5 -70.7 20.9 85 735 A F G 34 S+ 0 0 88 -4,-0.5 -2,-0.1 1,-0.3 -3,-0.1 0.424 115.4 44.1 -66.3 4.2 -20.5 -74.3 21.6 86 736 A I G <4 S+ 0 0 33 -3,-0.9 -1,-0.3 2,-0.1 6,-0.3 0.364 105.2 60.5-123.1 -8.4 -16.9 -73.0 21.2 87 737 A E T <4 S+ 0 0 117 -3,-1.8 3,-0.3 -4,-0.4 -2,-0.2 0.710 115.8 34.3 -89.5 -25.6 -17.4 -69.9 23.3 88 738 A A S < S+ 0 0 98 -4,-1.7 -3,-0.1 1,-0.2 -1,-0.1 0.402 129.7 37.9-105.1 -4.5 -18.3 -72.1 26.3 89 739 A S S S- 0 0 48 -5,-0.3 -1,-0.2 -50,-0.1 -2,-0.1 -0.302 85.5-172.3-140.3 47.2 -15.8 -74.8 25.2 90 740 A K + 0 0 140 -3,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.210 24.6 149.4 -49.4 121.0 -13.0 -72.6 23.9 91 741 A E - 0 0 66 -5,-0.2 2,-3.2 -52,-0.2 -1,-0.2 0.332 43.0-143.1-134.7 -2.2 -10.3 -74.7 22.2 92 742 A Q - 0 0 154 -6,-0.3 -2,-0.0 1,-0.1 -6,-0.0 -0.291 29.0-148.1 68.4 -59.1 -9.0 -72.2 19.6 93 743 A a - 0 0 30 -2,-3.2 2,-0.1 -3,-0.0 -1,-0.1 0.581 21.2 -82.5 67.2 136.1 -8.6 -75.0 17.0 94 744 A K + 0 0 177 1,-0.1 2,-0.2 2,-0.0 -2,-0.0 -0.349 46.2 173.7 -74.0 149.6 -5.8 -74.9 14.4 95 745 A T - 0 0 64 -2,-0.1 30,-0.2 31,-0.0 3,-0.1 -0.439 46.3 -96.1-129.5-158.0 -5.9 -73.0 11.1 96 746 A N S S- 0 0 80 28,-1.4 29,-0.2 1,-0.4 2,-0.1 0.309 87.1 -57.0-110.8 4.6 -3.4 -72.3 8.3 97 747 A G - 0 0 9 27,-0.4 29,-2.0 2,-0.0 -1,-0.4 -0.319 50.3-108.2 129.2 147.5 -2.4 -68.9 9.6 98 748 A K E -a 126 0A 48 27,-0.2 51,-2.7 49,-0.2 52,-0.8 -0.788 31.1-179.5-107.0 149.9 -4.0 -65.5 10.5 99 749 A M E -ab 127 150A 8 27,-1.8 29,-1.4 -2,-0.3 2,-0.7 -0.981 24.4-136.6-152.8 137.6 -3.7 -62.3 8.6 100 750 A V E -ab 128 151A 0 50,-2.3 52,-2.1 -2,-0.3 2,-0.4 -0.841 28.6-178.5 -96.5 116.0 -4.9 -58.7 8.9 101 751 A I E +ab 129 152A 10 27,-0.7 29,-1.2 -2,-0.7 30,-0.4 -0.917 9.4 153.6-116.7 141.9 -6.1 -57.3 5.6 102 752 A A E - b 0 153A 0 50,-2.1 52,-1.9 -2,-0.4 2,-0.7 -0.987 45.6 -97.1-160.1 163.2 -7.5 -53.8 5.0 103 753 A T E - b 0 154A 0 28,-3.2 31,-2.0 -2,-0.3 3,-0.2 -0.802 55.4 -98.6 -92.9 115.1 -7.9 -51.1 2.4 104 754 A V B > -e 134 0B 1 50,-0.8 3,-2.7 -2,-0.7 29,-0.6 0.092 55.3 -81.7 -31.9 125.8 -5.2 -48.4 2.6 105 755 A K T 3 S+ 0 0 67 29,-1.1 -1,-0.2 1,-0.3 58,-0.1 -0.001 117.1 16.7 -36.7 120.0 -6.3 -45.3 4.6 106 756 A G T 3 S+ 0 0 0 1,-0.4 -1,-0.3 -3,-0.2 410,-0.1 -0.018 99.6 106.5 103.8 -30.8 -8.3 -43.1 2.3 107 757 A D < - 0 0 1 -3,-2.7 26,-1.5 27,-0.1 -1,-0.4 -0.428 46.8-166.6 -81.3 158.6 -9.1 -45.6 -0.5 108 758 A V + 0 0 26 24,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.616 52.0 110.6-117.6 -23.5 -12.6 -47.1 -1.0 109 759 A H + 0 0 79 1,-0.2 24,-0.1 2,-0.1 47,-0.1 -0.400 31.6 142.7 -57.5 115.0 -12.0 -50.0 -3.4 110 760 A D >> + 0 0 24 -2,-0.3 4,-2.6 2,-0.1 3,-1.4 0.611 44.7 80.0-129.5 -26.8 -12.5 -53.1 -1.3 111 761 A I H 3> S+ 0 0 16 1,-0.3 4,-2.0 2,-0.3 5,-0.2 0.930 93.8 54.3 -51.3 -49.7 -14.3 -55.8 -3.3 112 762 A G H 3> S+ 0 0 49 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.770 114.0 44.4 -55.7 -23.8 -11.0 -56.8 -5.0 113 763 A K H <> S+ 0 0 3 -3,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.811 108.5 54.8 -87.5 -36.9 -9.8 -57.2 -1.4 114 764 A N H X S+ 0 0 15 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.722 106.0 55.1 -69.9 -22.5 -12.9 -59.0 -0.1 115 765 A I H >X S+ 0 0 23 -4,-2.0 4,-2.6 -5,-0.3 3,-0.5 0.959 110.2 42.0 -74.2 -54.3 -12.4 -61.5 -2.9 116 766 A V H 3X S+ 0 0 25 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.816 110.3 65.0 -60.5 -28.1 -8.8 -62.4 -2.0 117 767 A G H 3X S+ 0 0 2 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.902 109.7 32.1 -61.7 -45.6 -10.2 -62.3 1.6 118 768 A V H << S+ 0 0 6 -4,-1.3 4,-0.3 -3,-0.5 -2,-0.2 0.838 106.8 70.4 -81.6 -35.0 -12.5 -65.3 1.2 119 769 A V H < S+ 0 0 16 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.799 107.0 41.4 -50.7 -29.5 -10.2 -67.1 -1.3 120 770 A L H ><>S+ 0 0 0 -4,-1.0 3,-2.4 1,-0.2 5,-2.2 0.764 103.2 64.1 -88.8 -30.1 -8.0 -67.6 1.7 121 771 A Q T 3<5S+ 0 0 41 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.2 0.398 99.7 59.1 -72.9 6.2 -10.9 -68.4 4.0 122 772 A C T 3 5S+ 0 0 7 -4,-0.3 -1,-0.3 -3,-0.2 -67,-0.2 0.350 101.2 51.8-109.8 -4.1 -11.2 -71.3 1.6 123 773 A N T < 5S- 0 0 49 -3,-2.4 -2,-0.2 -5,-0.2 3,-0.1 0.032 125.1-101.4-117.9 19.5 -7.7 -72.5 2.5 124 774 A N T 5S+ 0 0 32 1,-0.2 -28,-1.4 -29,-0.1 -27,-0.4 0.525 76.0 144.3 71.5 10.2 -8.4 -72.4 6.2 125 775 A Y < - 0 0 24 -5,-2.2 2,-0.5 -29,-0.2 -1,-0.2 -0.613 50.3-128.2 -81.1 137.4 -6.7 -69.1 6.7 126 776 A E E -a 98 0A 85 -29,-2.0 -27,-1.8 -2,-0.3 2,-0.6 -0.741 23.7-164.8 -85.9 126.5 -8.2 -66.7 9.3 127 777 A I E -a 99 0A 17 -2,-0.5 2,-1.6 -29,-0.2 -27,-0.2 -0.845 10.5-166.3-120.0 97.6 -8.7 -63.3 7.8 128 778 A V E -a 100 0A 35 -29,-1.4 -27,-0.7 -2,-0.6 -2,-0.0 -0.611 22.7-160.9 -81.7 86.5 -9.4 -60.4 10.2 129 779 A D E -a 101 0A 63 -2,-1.6 -27,-0.2 -29,-0.2 -29,-0.0 -0.224 19.0-172.3 -66.2 156.8 -10.7 -57.8 7.7 130 780 A L - 0 0 30 -29,-1.2 2,-0.3 1,-0.3 -28,-0.2 0.547 30.5-135.0-125.4 -21.1 -10.7 -54.1 8.5 131 781 A G - 0 0 20 -30,-0.4 -28,-3.2 -21,-0.1 -1,-0.3 -0.754 39.4 -34.0 104.6-148.6 -12.5 -52.5 5.6 132 782 A V S S+ 0 0 44 -2,-0.3 -24,-0.2 1,-0.2 -27,-0.1 -0.708 111.0 21.2-115.7 167.2 -11.6 -49.3 3.7 133 783 A M S S+ 0 0 40 -26,-1.5 -28,-0.2 -29,-0.6 -1,-0.2 0.844 81.3 166.5 45.0 40.9 -10.1 -46.0 4.4 134 784 A V B -e 104 0B 3 -31,-2.0 -29,-1.1 -3,-0.3 -1,-0.2 -0.761 39.3-114.6 -92.2 126.3 -8.5 -47.6 7.4 135 785 A P >> - 0 0 52 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.340 19.7-124.2 -59.5 129.9 -5.6 -45.6 9.2 136 786 A A H 3> S+ 0 0 5 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.714 111.6 60.7 -47.3 -22.9 -2.2 -47.4 9.0 137 787 A E H 3> S+ 0 0 132 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.955 102.4 46.2 -72.1 -52.0 -2.3 -47.1 12.8 138 788 A K H <> S+ 0 0 80 -3,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.877 110.6 57.8 -57.0 -38.5 -5.4 -49.2 13.3 139 789 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.919 109.8 40.0 -59.2 -49.7 -4.0 -51.7 10.9 140 790 A L H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.858 113.0 56.5 -69.9 -35.3 -0.8 -52.4 12.8 141 791 A R H >X S+ 0 0 144 -4,-2.3 4,-3.0 2,-0.2 3,-0.6 0.955 107.7 47.8 -58.9 -51.1 -2.6 -52.3 16.1 142 792 A T H 3X S+ 0 0 13 -4,-2.6 4,-2.0 1,-0.3 5,-0.3 0.920 105.0 60.0 -54.9 -46.8 -4.9 -55.1 14.9 143 793 A A H 3<>S+ 0 0 3 -4,-1.9 5,-2.2 -5,-0.2 -1,-0.3 0.855 115.4 35.4 -50.4 -38.5 -1.9 -57.0 13.7 144 794 A K H X<5S+ 0 0 108 -4,-1.5 3,-2.6 -3,-0.6 -2,-0.2 0.970 113.4 53.8 -79.6 -63.6 -0.7 -57.0 17.3 145 795 A E H 3<5S+ 0 0 157 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.670 123.0 33.3 -45.5 -20.6 -4.0 -57.3 19.2 146 796 A V T 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.405 102.8-130.5-117.1 -2.4 -4.7 -60.4 17.1 147 797 A N T < 5 - 0 0 127 -3,-2.6 -3,-0.2 -5,-0.3 -49,-0.2 0.933 37.9-169.6 50.5 51.9 -1.1 -61.6 16.7 148 798 A A < - 0 0 5 -5,-2.2 -49,-0.2 -6,-0.2 30,-0.1 -0.265 26.5-143.6 -69.3 159.2 -1.5 -62.0 13.0 149 799 A D S S+ 0 0 62 -51,-2.7 2,-0.3 1,-0.1 -50,-0.2 0.606 80.8 15.0 -97.6 -17.8 1.1 -63.7 10.9 150 800 A L E -b 99 0A 2 -52,-0.8 -50,-2.3 28,-0.2 2,-0.4 -0.937 61.0-142.5-148.8 170.0 0.7 -61.4 7.9 151 801 A I E -bc 100 180A 0 28,-0.7 30,-2.4 -2,-0.3 2,-0.5 -0.970 14.4-170.8-141.5 121.3 -0.7 -58.0 6.8 152 802 A G E -bc 101 181A 6 -52,-2.1 -50,-2.1 -2,-0.4 2,-0.3 -0.960 4.0-170.4-119.1 122.9 -2.3 -57.4 3.4 153 803 A L E -bc 102 182A 6 28,-2.5 30,-2.0 -2,-0.5 2,-0.4 -0.843 3.6-160.4-111.5 147.6 -3.2 -53.9 2.3 154 804 A S E +bc 103 183A 9 -52,-1.9 -50,-0.8 -2,-0.3 2,-0.3 -0.985 18.5 155.6-133.4 127.4 -5.2 -53.0 -0.8 155 805 A G + 0 0 0 28,-2.1 32,-0.5 -2,-0.4 31,-0.1 -0.985 17.3 177.9-149.8 135.5 -5.4 -49.7 -2.7 156 806 A L + 0 0 47 -2,-0.3 2,-0.1 30,-0.1 -1,-0.1 0.484 61.8 77.5-115.6 -6.9 -6.3 -48.7 -6.2 157 807 A I S > S- 0 0 31 -48,-0.1 4,-0.9 1,-0.1 3,-0.1 -0.397 88.6-105.1 -96.4 178.2 -6.0 -44.9 -6.2 158 808 A T H > S+ 0 0 22 1,-0.2 4,-0.7 2,-0.2 3,-0.1 0.915 116.7 56.9 -69.7 -45.3 -2.9 -42.7 -6.4 159 809 A P H >> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.792 97.9 68.5 -57.4 -26.6 -3.0 -41.7 -2.7 160 810 A S H >> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.983 89.4 56.7 -54.4 -68.0 -2.8 -45.4 -1.8 161 811 A L H 3X S+ 0 0 16 -4,-0.9 4,-1.1 1,-0.3 -1,-0.2 0.715 112.9 45.1 -37.5 -29.9 0.7 -46.1 -3.0 162 812 A D H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 3,-0.5 0.906 100.1 53.9 -81.0 -46.3 1.1 -47.9 1.8 165 815 A V H 3X S+ 0 0 25 -4,-1.1 4,-1.5 -5,-0.3 -2,-0.2 0.783 103.5 62.1 -57.5 -25.8 4.8 -46.8 2.0 166 816 A N H 3X S+ 0 0 64 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.928 102.0 47.4 -65.7 -47.1 3.7 -45.4 5.4 167 817 A V H S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-0.3 0.870 115.5 45.2 -65.6 -34.7 6.2 -51.9 10.6 172 822 A E H <5S+ 0 0 78 -4,-1.4 -2,-0.2 27,-0.3 -1,-0.2 0.679 115.3 46.8 -80.4 -20.8 10.0 -51.2 10.3 173 823 A R H <5S+ 0 0 190 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.436 114.4 46.4-100.9 -1.9 9.9 -48.5 13.0 174 824 A Q T <5S- 0 0 81 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.1 0.293 116.3-104.9-120.0 5.6 7.9 -50.6 15.5 175 825 A G T 5 + 0 0 61 -4,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.706 58.4 164.4 80.7 22.5 9.8 -53.8 15.2 176 826 A F < + 0 0 29 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.0 -0.237 18.7 176.9 -68.3 161.3 7.4 -55.9 13.1 177 827 A T + 0 0 112 2,-0.1 -1,-0.1 25,-0.1 3,-0.1 0.433 45.5 107.8-137.7 -21.0 8.6 -59.1 11.3 178 828 A I S S- 0 0 31 1,-0.1 -28,-0.2 -30,-0.1 24,-0.1 -0.331 80.2 -94.7 -63.1 143.9 5.5 -60.4 9.7 179 829 A P - 0 0 10 0, 0.0 -28,-0.7 0, 0.0 2,-0.4 0.006 29.3-139.8 -55.2 166.7 5.4 -60.1 5.9 180 830 A L E -cd 151 204A 3 23,-3.2 25,-0.8 -30,-0.1 2,-0.5 -0.881 14.6-164.0-136.4 101.1 3.7 -57.1 4.2 181 831 A L E -cd 152 205A 12 -30,-2.4 -28,-2.5 -2,-0.4 2,-0.4 -0.775 7.2-150.2 -93.5 124.2 1.7 -57.9 1.1 182 832 A I E -cd 153 206A 7 23,-2.0 25,-1.2 -2,-0.5 2,-0.3 -0.746 20.1-169.0 -91.3 133.1 0.7 -55.0 -1.2 183 833 A G E +c 154 0A 18 -30,-2.0 -28,-2.1 -2,-0.4 2,-0.2 -0.903 26.8 81.6-129.6 156.8 -2.5 -55.4 -3.2 184 834 A G - 0 0 17 23,-0.5 -28,-0.1 -2,-0.3 23,-0.1 -0.494 65.7-105.5 134.3 155.3 -4.4 -53.8 -6.0 185 835 A A S S+ 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 -29,-0.1 0.934 119.9 48.6 -73.7 -48.6 -4.6 -53.7 -9.8 186 836 A T S S+ 0 0 74 -31,-0.1 -1,-0.1 -3,-0.1 -30,-0.1 0.891 94.5 85.9 -57.9 -44.1 -3.0 -50.2 -10.0 187 837 A T S S- 0 0 0 -32,-0.5 2,-0.3 -4,-0.1 -3,-0.1 -0.416 71.4-160.1 -61.9 131.0 -0.2 -51.3 -7.6 188 838 A S > - 0 0 50 -2,-0.1 4,-2.1 -5,-0.1 5,-0.3 -0.760 35.0-111.0-116.1 162.6 2.5 -52.9 -9.7 189 839 A K T 4 S+ 0 0 88 -2,-0.3 4,-0.3 1,-0.2 51,-0.1 0.499 119.3 55.6 -66.3 -0.8 5.5 -55.2 -9.1 190 840 A A T > S+ 0 0 22 2,-0.2 4,-1.5 3,-0.1 5,-0.3 0.893 105.0 42.2 -95.4 -61.1 7.5 -52.1 -9.9 191 841 A H H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.870 119.0 50.1 -55.2 -37.4 6.2 -49.4 -7.5 192 842 A T H X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-0.8 0.887 112.7 44.9 -68.0 -41.5 6.3 -52.1 -4.8 193 843 A A H 45S+ 0 0 0 -4,-0.3 -2,-0.2 -5,-0.3 -1,-0.2 0.589 126.0 31.0 -80.1 -11.9 9.8 -53.2 -5.7 194 844 A V H <5S+ 0 0 30 -4,-1.5 -2,-0.2 -3,-0.1 -3,-0.2 0.728 128.2 28.7-115.9 -34.9 11.1 -49.6 -5.9 195 845 A K H <5S+ 0 0 73 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.372 128.3 23.6-113.3 5.6 9.2 -47.4 -3.5 196 846 A I T ><5S+ 0 0 1 -4,-0.8 3,-2.8 -5,-0.3 4,-0.3 0.623 104.9 62.6-132.9 -55.1 8.1 -49.8 -0.7 197 847 A E G > S- 0 0 72 -93,-0.0 4,-2.0 -26,-0.0 3,-0.3 -0.960 73.3 -91.4-155.8 172.2 -4.6 -61.7 -8.0 210 860 A A H > S+ 0 0 16 -2,-0.3 4,-0.6 1,-0.2 -2,-0.0 0.527 121.2 59.7 -65.1 -6.2 -6.5 -63.7 -5.4 211 861 A S H > S+ 0 0 88 2,-0.2 4,-0.8 3,-0.1 3,-0.3 0.889 105.5 43.0 -87.3 -48.0 -5.1 -66.8 -7.1 212 862 A R H > S+ 0 0 135 -3,-0.3 4,-2.9 1,-0.2 3,-0.5 0.855 102.6 71.6 -65.8 -35.6 -1.5 -66.0 -6.6 213 863 A T H X S+ 0 0 11 -4,-2.0 4,-2.9 1,-0.3 5,-0.4 0.907 94.4 51.5 -45.5 -54.8 -2.2 -65.0 -3.0 214 864 A V H X S+ 0 0 35 -4,-0.6 4,-1.3 -3,-0.3 -1,-0.3 0.883 113.5 46.3 -52.8 -41.0 -2.8 -68.5 -1.9 215 865 A G H X S+ 0 0 47 -4,-0.8 4,-1.9 -3,-0.5 -2,-0.2 0.936 116.4 42.7 -68.3 -47.4 0.5 -69.5 -3.4 216 866 A V H X S+ 0 0 15 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.974 112.9 49.9 -63.2 -58.9 2.5 -66.7 -2.0 217 867 A V H < S+ 0 0 1 -4,-2.9 4,-0.5 1,-0.2 3,-0.4 0.851 111.4 53.7 -48.8 -39.3 1.1 -66.7 1.5 218 868 A A H >X S+ 0 0 37 -4,-1.3 3,-2.5 -5,-0.4 4,-2.4 0.992 110.7 40.0 -60.9 -67.0 1.8 -70.4 1.6 219 869 A A H 3< S+ 0 0 14 -4,-1.9 10,-0.3 1,-0.3 11,-0.3 0.457 111.5 63.8 -64.6 2.0 5.5 -70.5 0.7 220 870 A L T 3< S+ 0 0 2 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.566 113.5 29.7 -99.9 -14.2 5.7 -67.4 2.9 221 871 A L T <4 S+ 0 0 52 -3,-2.5 -2,-0.2 -4,-0.5 -3,-0.1 0.582 93.7 108.2-115.4 -23.0 4.8 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