==== 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 03-JAN-08 3BUL . COMPND 2 MOLECULE: METHIONINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.KOUTMOS,K.A.PATTRIDGE,M.L.LUDWIG . 577 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 72.3 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 . 45 7.8 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 . 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 . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.5 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 3 2 2 1 0 2 5 0 0 0 2 0 0 1 0 0 1 0 1 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 . 3 1 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 . 1 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 0 242 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.7 85.9 68.7 36.0 2 652 A A >> - 0 0 48 1,-0.1 3,-1.7 0, 0.0 4,-0.6 -0.422 360.0-132.9 173.2 106.1 84.3 71.9 34.6 3 653 A E G >4 S+ 0 0 139 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.835 105.5 44.7 -33.9 -63.8 86.2 75.0 33.7 4 654 A W G >4 S+ 0 0 28 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.754 103.5 64.9 -60.9 -25.5 83.9 77.5 35.5 5 655 A R G <4 S+ 0 0 52 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.710 99.3 57.2 -65.9 -17.3 83.7 75.3 38.6 6 656 A S G << S+ 0 0 87 -3,-2.2 -1,-0.2 -4,-0.6 -2,-0.2 0.581 87.2 95.2 -91.9 -16.8 87.4 75.9 39.0 7 657 A W S < S- 0 0 87 -3,-0.9 2,-0.1 -4,-0.4 5,-0.1 -0.226 91.9 -80.6 -71.4 165.6 87.2 79.8 39.1 8 658 A E >> - 0 0 111 1,-0.1 3,-2.0 4,-0.0 4,-1.5 -0.462 48.7-107.9 -63.1 142.3 87.1 81.8 42.4 9 659 A V H 3> S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.778 118.3 59.0 -39.0 -42.5 83.5 81.8 43.9 10 660 A N H 3> S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.835 109.5 43.4 -66.1 -27.0 83.0 85.5 43.0 11 661 A K H <> S+ 0 0 104 -3,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.696 111.6 55.0 -88.6 -24.0 83.6 84.7 39.2 12 662 A R H X S+ 0 0 23 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.913 105.1 51.8 -69.0 -47.7 81.5 81.7 39.5 13 663 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.967 111.7 48.1 -55.1 -50.8 78.6 83.8 40.9 14 664 A E H X S+ 0 0 61 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.860 112.2 47.9 -55.6 -41.9 78.9 86.1 37.9 15 665 A Y H X S+ 0 0 76 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.921 112.2 49.2 -71.7 -39.7 79.0 83.3 35.4 16 666 A S H X>S+ 0 0 1 -4,-2.9 5,-1.9 2,-0.2 4,-0.6 0.852 114.3 45.8 -66.6 -34.3 76.0 81.6 36.9 17 667 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.985 114.9 46.3 -68.4 -59.6 74.1 84.9 36.9 18 668 A V H 3<5S+ 0 0 24 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.910 119.7 40.5 -50.4 -44.2 75.1 85.8 33.3 19 669 A K H 3<5S- 0 0 128 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.489 105.6-124.7 -88.9 -4.7 74.3 82.3 32.1 20 670 A G T <<5 + 0 0 15 -3,-1.6 2,-0.5 -4,-0.6 -3,-0.2 0.819 53.2 156.5 67.6 31.0 71.1 81.8 34.2 21 671 A I < + 0 0 34 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.1 -0.787 19.3 177.2 -94.7 131.8 72.3 78.6 35.8 22 672 A T > + 0 0 44 -2,-0.5 3,-1.6 1,-0.1 4,-0.4 0.613 54.1 91.4-106.5 -12.2 70.7 77.6 39.1 23 673 A E T 3 S+ 0 0 138 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.722 100.0 26.8 -62.5 -29.8 72.2 74.3 40.1 24 674 A F T 3> S+ 0 0 63 -3,-0.1 4,-2.6 2,-0.1 -1,-0.3 0.084 88.5 108.1-115.5 14.6 75.1 75.6 42.2 25 675 A I H <> S+ 0 0 2 -3,-1.6 4,-2.5 2,-0.2 5,-0.2 0.927 79.5 47.1 -67.3 -44.2 73.7 78.9 43.3 26 676 A E H > S+ 0 0 120 -4,-0.4 4,-4.2 2,-0.2 5,-0.3 0.983 115.9 43.9 -59.6 -57.0 73.2 78.0 46.9 27 677 A Q H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.892 114.9 48.3 -59.6 -41.1 76.6 76.5 47.4 28 678 A D H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.922 116.5 44.3 -63.9 -41.1 78.4 79.3 45.6 29 679 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.919 111.4 53.5 -65.9 -46.0 76.4 81.8 47.7 30 680 A E H X S+ 0 0 37 -4,-4.2 4,-1.7 -5,-0.2 -2,-0.2 0.902 111.7 47.1 -55.5 -34.1 77.1 79.8 50.8 31 681 A E H X S+ 0 0 80 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.948 110.2 50.0 -74.4 -43.6 80.8 79.9 49.9 32 682 A A H X S+ 0 0 3 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.802 106.4 58.8 -61.0 -34.3 80.8 83.7 49.2 33 683 A R H >< S+ 0 0 54 -4,-2.2 3,-1.6 2,-0.2 -1,-0.2 0.955 106.9 44.1 -59.5 -54.8 79.0 84.2 52.5 34 684 A Q H 3< S+ 0 0 129 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.928 107.8 61.2 -56.3 -43.7 81.9 82.6 54.4 35 685 A Q H 3< S+ 0 0 124 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.709 108.3 54.0 -52.7 -23.7 84.3 84.6 52.3 36 686 A A S << S- 0 0 24 -3,-1.6 4,-0.0 -4,-0.6 6,-0.0 -0.641 73.4-135.7-118.4 175.2 82.7 87.7 53.7 37 687 A T S S+ 0 0 114 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.943 90.6 36.8 -96.8 -56.0 81.9 89.3 57.0 38 688 A R S > S- 0 0 131 1,-0.1 3,-2.1 51,-0.0 4,-0.4 -0.796 80.7-128.4 -92.5 138.5 78.3 90.6 56.8 39 689 A P T > S+ 0 0 18 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.921 108.2 62.4 -51.0 -45.0 75.9 88.5 54.8 40 690 A a T 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.700 82.8 80.3 -58.1 -17.9 74.9 91.6 52.7 41 691 A E H <> S+ 0 0 61 -3,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.812 89.1 56.9 -55.3 -27.9 78.5 91.8 51.4 42 692 A V H <4>S+ 0 0 1 -3,-2.3 5,-2.1 -4,-0.4 6,-0.3 0.879 108.3 42.0 -73.4 -42.7 77.5 89.0 49.0 43 693 A I H 4>S+ 0 0 16 -4,-0.5 5,-2.0 -3,-0.4 -2,-0.2 0.926 116.7 48.3 -67.7 -45.8 74.6 90.8 47.3 44 694 A E H <5S+ 0 0 53 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.692 123.1 29.9 -72.7 -23.8 76.5 94.2 47.1 45 695 A G T X5S+ 0 0 21 -4,-1.2 4,-2.3 -5,-0.2 5,-0.2 0.712 130.1 9.7-101.0 -97.8 79.6 92.6 45.7 46 696 A P H >5S+ 0 0 10 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.906 127.0 53.7 -58.4 -46.2 79.7 89.5 43.4 47 697 A L H >X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 3,-0.7 0.975 111.9 44.0 -50.7 -55.4 77.1 89.7 38.1 51 701 A M H 3X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.823 107.0 62.3 -69.8 -24.3 74.2 92.0 37.3 52 702 A N H 3X S+ 0 0 98 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.3 0.919 107.7 41.3 -55.5 -47.0 76.7 94.5 36.3 53 703 A V H S+ 0 0 42 -4,-2.9 5,-3.1 2,-0.2 4,-1.1 0.843 112.1 47.3 -62.6 -36.8 75.9 92.7 27.7 58 708 A F H <5S+ 0 0 71 -4,-2.0 3,-0.4 4,-0.2 -1,-0.2 0.913 109.7 53.9 -66.6 -46.7 72.3 93.7 27.3 59 709 A G H <5S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 111.4 46.0 -50.5 -44.2 73.5 97.2 26.7 60 710 A E H <5S- 0 0 129 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.703 115.9-114.3 -76.2 -20.2 75.7 95.8 23.9 61 711 A G T <5S+ 0 0 34 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.1 0.762 85.9 115.2 91.3 28.0 73.0 93.6 22.4 62 712 A K S > - 0 0 36 -2,-0.3 4,-2.5 -3,-0.1 3,-0.7 -0.609 37.1 -84.1-120.7-177.5 68.2 89.9 25.4 65 715 A L H 3> S+ 0 0 8 240,-0.4 4,-3.0 239,-0.3 5,-0.3 0.905 121.2 56.1 -60.8 -45.7 65.3 90.2 27.7 66 716 A P H 3> S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.904 113.4 43.8 -52.5 -40.9 64.5 86.5 28.0 67 717 A Q H <> S+ 0 0 47 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.898 109.8 55.1 -68.8 -37.5 68.1 85.9 29.2 68 718 A V H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.959 108.1 50.4 -62.4 -39.9 68.1 88.9 31.5 69 719 A V H X S+ 0 0 1 -4,-3.0 4,-1.5 1,-0.2 364,-0.2 0.881 108.1 51.8 -62.7 -37.9 65.0 87.4 33.1 70 720 A K H X S+ 0 0 58 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.853 108.8 51.1 -65.5 -38.3 66.7 84.1 33.5 71 721 A S H >X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-1.3 0.963 105.2 56.3 -58.4 -47.6 69.7 85.9 35.2 72 722 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.3 5,-0.2 0.871 103.1 58.0 -53.6 -35.3 67.2 87.6 37.6 73 723 A R H 3X S+ 0 0 38 -4,-1.5 4,-0.9 1,-0.2 -1,-0.3 0.835 105.2 45.9 -61.4 -41.4 66.1 84.1 38.5 74 724 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.2 3,-0.6 0.984 116.4 44.7 -59.0 -53.4 70.9 83.6 45.8 79 729 A V H 3X S+ 0 0 39 -4,-2.4 4,-3.0 1,-0.3 -2,-0.2 0.892 108.3 56.7 -59.9 -42.1 69.1 86.3 47.8 80 730 A A H 3< S+ 0 0 28 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.877 109.3 46.9 -64.0 -28.5 66.4 83.9 48.9 81 731 A Y H << S+ 0 0 52 -4,-1.5 4,-0.4 -3,-0.6 -1,-0.2 0.894 115.3 46.8 -73.0 -40.5 69.2 81.7 50.4 82 732 A L H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-1.2 0.827 88.0 84.1 -72.0 -37.6 70.8 84.7 52.0 83 733 A E H 3X S+ 0 0 100 -4,-3.0 4,-2.8 1,-0.3 5,-0.3 0.825 88.7 54.0 -39.6 -48.9 67.6 86.3 53.6 84 734 A P H 3> S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.934 113.1 43.3 -48.7 -48.0 67.8 84.0 56.7 85 735 A F H <4 S+ 0 0 67 -3,-1.2 -2,-0.2 -4,-0.4 -45,-0.1 0.797 115.3 48.7 -70.4 -32.8 71.4 85.1 57.3 86 736 A I H >< S+ 0 0 13 -4,-1.9 3,-0.7 1,-0.1 -1,-0.2 0.886 115.1 43.1 -75.1 -41.8 70.7 88.8 56.6 87 737 A E H 3< S+ 0 0 143 -4,-2.8 2,-1.6 1,-0.3 -2,-0.2 0.955 109.1 56.1 -70.5 -52.3 67.7 88.9 58.8 88 738 A A T 3< S+ 0 0 89 -4,-2.4 2,-0.3 -5,-0.3 -1,-0.3 -0.164 109.6 66.5 -71.2 40.4 69.3 86.9 61.7 89 739 A S S < S- 0 0 44 -2,-1.6 -3,-0.1 -3,-0.7 -51,-0.0 -0.965 88.7-103.3-151.8 169.0 72.0 89.6 61.7 90 740 A K S S+ 0 0 199 -2,-0.3 -1,-0.3 2,-0.0 -52,-0.0 0.918 90.6 57.0 -51.5-104.0 72.8 93.2 62.3 91 741 A E - 0 0 57 1,-0.1 -2,-0.2 0, 0.0 -51,-0.1 0.358 62.2-155.9 -31.3 158.0 73.1 95.1 58.9 92 742 A Q - 0 0 128 -53,-0.0 -1,-0.1 -52,-0.0 -6,-0.0 -0.011 41.5 -84.9-147.9 42.7 70.2 95.2 56.4 93 743 A a - 0 0 43 1,-0.1 2,-0.4 -7,-0.0 -52,-0.0 0.960 24.6-118.1 88.5 112.3 71.4 95.9 52.9 94 744 A K + 0 0 124 -54,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.617 35.0 174.8 -88.5 131.3 72.2 98.7 50.7 95 745 A T - 0 0 58 -2,-0.4 30,-0.2 31,-0.0 3,-0.1 -0.659 41.2-114.7-121.1 176.2 70.1 99.2 47.5 96 746 A N S S- 0 0 97 28,-3.1 2,-0.2 1,-0.4 29,-0.2 0.308 83.5 -47.1 -94.7 7.1 70.1 101.9 44.8 97 747 A G - 0 0 8 27,-0.4 29,-2.0 2,-0.0 -1,-0.4 -0.635 54.1-109.2 137.9 157.1 66.5 103.0 45.6 98 748 A K E -a 126 0A 44 27,-0.2 51,-2.5 -2,-0.2 52,-1.1 -0.966 25.4-168.6-128.6 135.7 63.1 101.6 46.3 99 749 A M E -ab 127 150A 4 27,-2.4 29,-3.0 -2,-0.4 2,-0.5 -0.955 14.7-148.5-127.3 142.5 59.9 101.9 44.0 100 750 A V E -ab 128 151A 0 50,-1.7 52,-3.1 -2,-0.4 2,-0.4 -0.951 26.5-175.5-106.7 131.4 56.4 101.1 44.7 101 751 A I E +ab 129 152A 8 27,-2.4 29,-3.0 -2,-0.5 30,-0.3 -0.963 7.7 162.7-135.1 145.5 54.7 99.9 41.6 102 752 A A E - b 0 153A 1 50,-1.7 52,-2.1 -2,-0.4 2,-0.5 -0.991 40.0-115.5-155.4 154.6 51.1 99.0 40.8 103 753 A T E - b 0 154A 0 28,-2.4 31,-2.4 -2,-0.3 52,-0.2 -0.861 56.2-102.6 -94.8 138.6 48.5 98.4 38.2 104 754 A V B > -e 134 0B 0 50,-2.5 3,-2.5 -2,-0.5 29,-0.8 -0.014 42.6 -77.7 -74.2 157.2 46.0 101.0 38.6 105 755 A K T 3 S+ 0 0 78 29,-1.2 -1,-0.2 28,-0.3 58,-0.1 -0.182 119.5 18.6 -45.9 136.7 42.5 100.6 40.2 106 756 A G T 3 S+ 0 0 0 1,-0.2 414,-0.5 -3,-0.1 412,-0.4 0.384 105.2 108.1 78.1 -5.6 40.0 98.9 38.0 107 757 A D < + 0 0 1 -3,-2.5 26,-1.9 1,-0.1 -1,-0.2 -0.858 40.6 178.6-116.8 144.5 42.9 97.5 35.8 108 758 A V + 0 0 14 -2,-0.3 416,-0.2 24,-0.2 2,-0.2 0.778 45.4 99.0-115.3 -33.5 44.0 93.9 35.6 109 759 A H + 0 0 34 415,-0.1 4,-0.1 1,-0.1 47,-0.1 -0.368 33.1 162.6 -72.0 124.6 46.8 93.3 33.1 110 760 A D > + 0 0 26 -2,-0.2 4,-2.7 2,-0.1 5,-0.2 0.372 37.9 105.5-126.7 16.8 50.3 93.2 34.6 111 761 A I H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.944 88.9 45.3 -62.3 -51.1 52.8 91.6 32.1 112 762 A G H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.882 114.0 48.3 -57.8 -43.8 54.4 94.9 31.3 113 763 A K H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.946 108.7 56.2 -62.1 -48.7 54.6 96.0 35.0 114 764 A N H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.892 110.0 45.0 -45.8 -44.2 56.1 92.6 35.8 115 765 A I H X S+ 0 0 15 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.931 110.3 51.3 -74.7 -48.9 58.8 93.2 33.3 116 766 A V H X S+ 0 0 28 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.936 113.8 48.9 -48.9 -41.5 59.6 96.8 34.4 117 767 A G H >X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 3,-0.5 0.982 110.2 47.9 -66.7 -57.0 59.9 95.4 38.0 118 768 A V H >X S+ 0 0 5 -4,-2.8 4,-1.6 1,-0.3 3,-0.6 0.941 111.6 51.3 -47.9 -56.5 62.1 92.5 37.1 119 769 A V H 3< S+ 0 0 18 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.844 110.8 48.6 -51.1 -36.5 64.5 94.8 35.1 120 770 A L H X<>S+ 0 0 2 -4,-1.8 5,-2.3 -3,-0.5 3,-1.0 0.829 105.5 56.4 -80.3 -28.5 64.7 97.2 38.0 121 771 A Q H X<5S+ 0 0 48 -4,-2.2 3,-1.3 -3,-0.6 -1,-0.2 0.855 101.6 59.0 -67.0 -27.9 65.5 94.5 40.5 122 772 A C T 3<5S+ 0 0 8 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.600 102.3 53.9 -75.5 -12.1 68.4 93.6 38.3 123 773 A N T < 5S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.084 127.7 -98.7-107.3 22.7 69.8 97.1 38.8 124 774 A N T < 5S+ 0 0 30 -3,-1.3 -28,-3.1 1,-0.2 -27,-0.4 0.733 77.6 140.2 61.9 30.3 69.7 96.7 42.5 125 775 A Y < - 0 0 20 -5,-2.3 2,-0.3 -30,-0.2 -1,-0.2 -0.833 51.0-130.1 -92.0 138.3 66.3 98.6 43.1 126 776 A E E -a 98 0A 94 -29,-2.0 -27,-2.4 -2,-0.4 2,-0.5 -0.698 26.9-157.0 -85.9 136.1 64.0 97.1 45.7 127 777 A I E -a 99 0A 25 -2,-0.3 2,-0.8 -29,-0.2 -27,-0.2 -0.957 16.8-162.9-126.0 128.3 60.5 96.8 44.2 128 778 A V E -a 100 0A 30 -29,-3.0 -27,-2.4 -2,-0.5 2,-0.7 -0.888 14.2-166.4-112.4 98.3 57.3 96.7 46.0 129 779 A D E -a 101 0A 62 -2,-0.8 -27,-0.2 -29,-0.2 3,-0.1 -0.774 7.4-170.9 -90.2 112.3 54.8 95.3 43.5 130 780 A L - 0 0 33 -29,-3.0 2,-0.3 -2,-0.7 -28,-0.2 0.486 34.0-130.5 -89.3 -2.7 51.3 95.9 44.9 131 781 A G - 0 0 24 -30,-0.3 -28,-2.4 3,-0.1 -1,-0.3 -0.695 41.7 -40.7 99.3-141.1 49.7 93.8 42.2 132 782 A V S S+ 0 0 42 -2,-0.3 -24,-0.2 1,-0.2 -28,-0.1 -0.736 108.7 33.8-128.6 168.7 46.6 94.9 40.2 133 783 A M S S+ 0 0 65 -26,-1.9 -28,-0.3 -29,-0.8 -29,-0.2 0.943 79.5 178.6 47.8 52.8 43.3 96.9 40.7 134 784 A V B -e 104 0B 2 -31,-2.4 -29,-1.2 -3,-0.2 -1,-0.2 -0.771 26.5-130.5 -95.5 123.6 45.2 98.9 43.3 135 785 A P >> - 0 0 58 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.468 19.2-123.6 -65.1 133.9 43.3 101.8 45.1 136 786 A A H 3> S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.879 114.0 57.9 -39.2 -47.6 45.2 105.1 45.1 137 787 A E H 3> S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.927 105.2 51.1 -53.6 -42.3 44.9 105.0 49.0 138 788 A K H <> S+ 0 0 86 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.885 110.6 49.0 -65.5 -36.0 46.7 101.6 49.0 139 789 A I H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.924 113.5 42.4 -69.7 -52.4 49.5 103.0 46.9 140 790 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.920 114.3 52.3 -65.6 -39.4 50.2 106.2 48.8 141 791 A R H X S+ 0 0 131 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.953 111.5 46.8 -59.4 -47.3 49.9 104.4 52.2 142 792 A T H X S+ 0 0 15 -4,-2.2 4,-1.5 -5,-0.3 5,-0.2 0.919 109.2 52.8 -63.7 -43.5 52.4 101.8 51.1 143 793 A A H X>S+ 0 0 4 -4,-2.2 5,-1.4 2,-0.2 4,-1.0 0.878 113.8 44.8 -64.7 -31.6 54.9 104.3 49.7 144 794 A K H ><5S+ 0 0 120 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.995 113.1 48.3 -67.2 -59.4 54.8 106.2 53.1 145 795 A E H 3<5S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.678 123.0 35.2 -55.5 -17.8 55.1 103.1 55.3 146 796 A V H 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.498 103.8-127.2-117.6 -15.6 58.0 101.8 53.2 147 797 A N T <<5 - 0 0 133 -3,-1.2 -3,-0.2 -4,-1.0 -49,-0.2 0.864 35.9-167.5 65.1 39.6 59.6 105.2 52.4 148 798 A A < - 0 0 8 -5,-1.4 -49,-0.2 -6,-0.2 30,-0.1 -0.123 23.5-151.0 -51.5 150.1 59.7 104.7 48.5 149 799 A D S S+ 0 0 68 -51,-2.5 2,-0.3 1,-0.2 -50,-0.2 0.524 81.0 19.7 -96.5 -16.2 61.8 107.1 46.4 150 800 A L E -b 99 0A 0 -52,-1.1 -50,-1.7 28,-0.2 2,-0.4 -0.979 61.2-149.4-148.5 156.9 59.4 106.6 43.4 151 801 A I E -bc 100 180A 0 28,-1.8 30,-3.7 -2,-0.3 2,-0.4 -0.992 16.5-165.3-123.6 135.0 55.9 105.4 42.6 152 802 A G E -bc 101 181A 2 -52,-3.1 -50,-1.7 -2,-0.4 2,-0.4 -0.990 0.5-163.5-128.6 147.3 55.1 103.8 39.3 153 803 A L E -bc 102 182A 5 28,-2.5 30,-2.2 -2,-0.4 2,-0.4 -0.964 0.5-164.6-132.7 132.4 51.7 103.2 37.7 154 804 A S E +bc 103 183A 17 -52,-2.1 -50,-2.5 -2,-0.4 2,-0.3 -0.929 9.9 174.1-121.8 144.5 50.7 100.9 34.9 155 805 A G - 0 0 2 28,-0.8 31,-1.5 -2,-0.4 32,-0.5 -0.988 19.1-173.4-152.6 137.7 47.5 100.8 32.8 156 806 A L + 0 0 75 -2,-0.3 2,-0.3 29,-0.2 -1,-0.1 0.865 69.9 46.2 -97.8 -45.9 46.3 98.9 29.8 157 807 A I S > S- 0 0 27 28,-0.1 3,-2.5 29,-0.1 4,-0.4 -0.740 86.7-103.6-109.5 154.3 42.9 100.6 28.9 158 808 A T T >> S+ 0 0 36 -2,-0.3 3,-1.5 1,-0.3 4,-0.7 0.695 113.3 61.1 -34.3 -50.9 41.7 104.1 28.6 159 809 A P H >> S+ 0 0 2 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.816 93.2 68.5 -57.6 -24.5 39.8 104.4 31.9 160 810 A S H <> S+ 0 0 0 -3,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.775 86.0 68.1 -66.1 -22.9 43.1 103.8 33.6 161 811 A L H <> S+ 0 0 19 -3,-1.5 4,-2.3 -4,-0.4 5,-0.2 0.947 99.2 50.7 -60.0 -41.7 44.2 107.2 32.4 162 812 A D H S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.4 0.899 111.0 44.9 -69.0 -41.3 49.7 112.7 45.8 172 822 A E H ><5S+ 0 0 76 -4,-1.9 3,-1.5 27,-0.3 -2,-0.2 0.954 109.8 54.8 -65.1 -46.0 49.5 116.5 45.6 173 823 A R H 3<5S+ 0 0 187 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 113.9 40.9 -62.2 -27.2 46.7 116.6 48.2 174 824 A Q T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.393 115.9-115.8 -98.1 0.4 49.0 114.6 50.7 175 825 A G T < 5 - 0 0 49 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.777 45.2-179.6 70.8 28.9 52.0 116.6 49.7 176 826 A F < - 0 0 25 -5,-2.9 25,-0.2 -6,-0.2 26,-0.1 -0.210 13.0-172.6 -52.9 149.4 54.1 113.8 48.2 177 827 A T + 0 0 109 2,-0.1 -1,-0.1 24,-0.1 -28,-0.0 0.599 48.7 96.7-119.6 -23.3 57.5 114.9 46.9 178 828 A I S S- 0 0 37 24,-0.1 -28,-0.2 1,-0.1 24,-0.2 -0.366 83.0 -83.7 -76.6 158.1 58.9 111.8 45.1 179 829 A P - 0 0 10 0, 0.0 -28,-1.8 0, 0.0 2,-0.6 -0.088 33.6-140.2 -60.5 145.1 58.7 111.2 41.2 180 830 A L E -cd 151 204A 0 23,-2.9 25,-2.8 -30,-0.2 2,-0.5 -0.954 15.8-152.9-109.9 125.3 55.6 109.6 39.7 181 831 A L E -cd 152 205A 8 -30,-3.7 -28,-2.5 -2,-0.6 2,-0.5 -0.833 10.4-166.4-102.6 129.3 56.4 107.2 37.0 182 832 A I E +cd 153 206A 3 23,-2.9 25,-2.7 -2,-0.5 2,-0.3 -0.938 22.7 126.5-121.9 127.1 53.8 106.5 34.3 183 833 A G E +c 154 0A 15 -30,-2.2 -28,-0.8 -2,-0.5 2,-0.2 -0.967 10.5 110.2-158.1-178.0 53.6 103.8 31.7 184 834 A G S > S- 0 0 33 23,-0.3 3,-1.8 -2,-0.3 -28,-0.2 -0.443 75.5 -65.0 125.7 164.4 51.5 101.1 30.1 185 835 A A T 3 S+ 0 0 79 1,-0.3 -29,-0.2 -2,-0.2 -1,-0.1 0.821 129.8 42.8 -57.5 -39.9 49.7 100.4 26.9 186 836 A T T 3 S+ 0 0 32 -31,-1.5 -1,-0.3 -3,-0.1 2,-0.2 0.562 97.2 93.2 -79.0 -11.3 47.2 103.3 27.1 187 837 A T < + 0 0 7 -3,-1.8 2,-0.3 -32,-0.5 -3,-0.1 -0.530 48.5 173.9 -88.3 157.0 49.7 105.9 28.4 188 838 A S > - 0 0 45 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.961 44.0-113.4-149.4 162.9 51.6 108.3 26.2 189 839 A K H > S+ 0 0 70 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.904 117.0 55.6 -62.4 -42.4 54.0 111.3 26.6 190 840 A A H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.925 110.6 43.3 -58.6 -48.6 51.3 113.6 25.1 191 841 A H H >>S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 5,-1.1 0.827 111.9 54.0 -68.2 -29.2 48.7 112.5 27.7 192 842 A T H X>S+ 0 0 0 -4,-1.8 5,-3.2 3,-0.2 4,-1.0 0.973 113.8 41.2 -66.8 -45.9 51.2 112.7 30.6 193 843 A A H <5S+ 0 0 0 -4,-2.3 5,-0.4 1,-0.2 -2,-0.2 0.877 121.5 39.4 -71.2 -40.4 52.2 116.3 29.8 194 844 A V H <5S+ 0 0 44 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.830 132.9 14.8 -82.0 -33.9 48.7 117.6 28.9 195 845 A K H <5S+ 0 0 98 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.762 128.6 33.0-118.6 -32.2 46.5 115.8 31.6 196 846 A I T >< S- 0 0 72 1,-0.1 4,-1.6 -26,-0.1 -1,-0.1 -0.955 73.1 -91.2-156.6 171.4 59.5 100.6 28.1 210 860 A A H > S+ 0 0 16 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.823 118.2 55.0 -58.8 -34.7 61.3 98.7 30.7 211 861 A S H >> S+ 0 0 71 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.943 108.4 45.6 -73.5 -47.2 64.7 99.4 29.2 212 862 A R H >> S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.850 101.5 69.1 -64.1 -30.6 64.3 103.2 29.2 213 863 A T H 3X S+ 0 0 8 -4,-1.6 4,-3.3 1,-0.2 5,-0.3 0.857 90.9 61.4 -57.5 -35.6 63.0 103.1 32.8 214 864 A V H < S+ 0 0 12 -4,-2.5 3,-0.5 1,-0.2 10,-0.2 0.863 115.2 46.2 -55.1 -35.2 68.8 110.0 36.3 220 870 A L H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.711 113.6 45.7 -81.4 -27.4 66.1 110.7 39.0 221 871 A L T 3< S+ 0 0 48 -4,-2.2 2,-0.4 -3,-0.4 -1,-0.2 0.259 93.4 101.4-101.1 18.4 67.9 109.1 41.9 222 872 A S X> - 0 0 22 -3,-0.5 4,-1.8 -4,-0.5 3,-0.7 -0.840 66.0-143.4-105.3 139.8 71.3 110.8 41.1 223 873 A D T 34 S+ 0 0 159 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.472 100.1 44.7 -78.5 0.1 72.6 113.8 43.0 224 874 A T T 34 S+ 0 0 129 -5,-0.1 -1,-0.2 2,-0.0 -5,-0.1 0.417 123.7 26.5-120.3 1.5 74.1 115.2 39.8 225 875 A Q T X> S+ 0 0 96 -3,-0.7 4,-3.4 -6,-0.2 3,-1.0 0.630 90.2 91.9-128.1 -30.7 71.4 114.8 37.2 226 876 A R H 3X S+ 0 0 87 -4,-1.8 4,-2.8 1,-0.3 5,-0.2 0.827 97.3 40.1 -27.2 -58.4 68.1 114.7 39.0 227 877 A D H 3> S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.811 115.8 49.1 -72.6 -34.8 67.7 118.4 38.6 228 878 A D H <> S+ 0 0 85 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.949 114.8 45.7 -71.8 -45.8 69.0 118.6 35.1 229 879 A F H X S+ 0 0 44 -4,-3.4 4,-2.6 -10,-0.2 -2,-0.2 0.884 112.2 50.4 -61.6 -45.6 66.7 115.7 34.0 230 880 A V H X S+ 0 0 12 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.938 111.2 47.9 -61.0 -51.0 63.6 117.1 35.8 231 881 A A H X S+ 0 0 52 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.911 112.6 50.7 -52.1 -41.0 64.0 120.5 34.2 232 882 A R H X S+ 0 0 159 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.922 109.9 47.4 -72.4 -44.6 64.5 118.9 30.9 233 883 A T H X S+ 0 0 15 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.874 113.0 50.5 -59.1 -40.4 61.4 116.7 31.1 234 884 A R H X S+ 0 0 81 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.886 109.3 49.5 -68.9 -39.9 59.4 119.7 32.2 235 885 A K H X S+ 0 0 140 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.911 112.4 50.1 -65.9 -41.4 60.6 121.8 29.3 236 886 A E H X S+ 0 0 79 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.934 110.5 48.1 -57.5 -47.7 59.7 118.8 27.1 237 887 A Y H X S+ 0 0 4 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.885 109.0 53.6 -67.4 -34.1 56.2 118.6 28.6 238 888 A E H X S+ 0 0 97 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.926 110.6 48.0 -57.6 -46.8 55.7 122.4 28.2 239 889 A T H X S+ 0 0 72 -4,-2.0 4,-2.8 1,-0.2 3,-0.4 0.932 111.1 49.2 -61.0 -48.5 56.6 122.0 24.5 240 890 A V H X>S+ 0 0 12 -4,-2.5 4,-1.8 1,-0.2 5,-0.6 0.894 110.4 53.4 -57.1 -43.7 54.2 119.1 24.1 241 891 A R H <5S+ 0 0 41 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.780 112.9 40.8 -62.7 -33.6 51.5 121.2 25.8 242 892 A I H X5S+ 0 0 105 -4,-1.7 4,-1.0 -3,-0.4 -2,-0.2 0.845 113.9 55.2 -86.5 -32.1 51.8 124.1 23.4 243 893 A Q H ><5S+ 0 0 108 -4,-2.8 3,-1.3 -5,-0.2 5,-0.5 0.989 124.5 22.5 -56.2 -81.2 52.3 121.9 20.4 244 894 A H T 3<5S+ 0 0 77 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.860 109.2 90.3 -50.3 -33.9 49.0 119.9 20.9 245 895 A G T 34 - 0 0 75 -2,-0.6 3,-0.7 1,-0.1 -3,-0.1 -0.053 44.2-125.2 -49.9 64.2 44.6 121.6 18.3 248 898 A K T 3 - 0 0 83 -2,-2.9 -1,-0.1 -5,-0.5 -4,-0.0 0.493 61.7 -34.9 5.7 139.4 46.9 121.0 15.3 249 899 A P T 3 S- 0 0 143 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.286 80.7-174.1 -23.4 80.4 45.4 121.0 11.7 250 900 A R < - 0 0 91 -3,-0.7 -2,-0.0 1,-0.1 -3,-0.0 -0.539 25.3-116.2 -81.3 146.0 42.1 119.3 12.8 251 901 A T - 0 0 75 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.419 44.3 -93.1 -68.0 158.4 39.5 118.3 10.1 252 902 A P - 0 0 68 0, 0.0 132,-1.9 0, 0.0 -1,-0.1 -0.595 40.9-127.5 -77.0 142.0 36.2 120.2 10.4 253 903 A P B -F 383 0C 70 0, 0.0 2,-0.3 0, 0.0 130,-0.2 -0.147 18.6-146.8 -72.4 176.3 33.4 118.6 12.5 254 904 A V - 0 0 33 128,-1.2 292,-0.2 130,-0.1 130,-0.0 -0.964 24.5 -94.2-142.9 154.6 29.8 118.0 11.5 255 905 A T > - 0 0 74 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.302 36.7-118.2 -60.2 151.8 26.4 117.9 13.1 256 906 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 116.8 53.3 -60.6 -36.5 25.2 114.5 14.4 257 907 A E H > S+ 0 0 121 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.847 107.4 48.6 -71.8 -34.6 22.3 114.8 11.9 258 908 A A H > S+ 0 0 40 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.844 110.5 53.2 -70.5 -32.4 24.6 115.5 9.0 259 909 A A H < S+ 0 0 0 -4,-2.0 131,-0.5 1,-0.2 3,-0.5 0.953 110.5 46.9 -63.4 -45.6 26.7 112.5 10.0 260 910 A R H >< S+ 0 0 71 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.753 107.3 56.3 -69.8 -25.9 23.7 110.3 10.1 261 911 A D 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