==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-MAY-07 2Q29 . COMPND 2 MOLECULE: OXALYL-COA DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.WERTHER,A.ZIMMER,G.WILLE,G.HUBNER,M.S.WEISS,S.KONIG . 1092 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 811 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 164 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 91 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.0 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 9 5 2 0 4 0 4 2 6 4 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 6 10 4 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 6 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 5 A L 0 0 188 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.5 -44.0 -25.5 -33.4 2 6 A Q - 0 0 138 170,-0.0 171,-2.7 1,-0.0 172,-0.4 -0.629 360.0-159.3 -83.7 130.6 -41.1 -23.1 -32.7 3 7 A M E -A 172 0A 99 -2,-0.4 2,-0.2 169,-0.3 169,-0.2 -0.710 9.9-174.8-106.0 159.4 -37.8 -24.0 -34.3 4 8 A T E -A 171 0A 25 167,-3.0 167,-1.8 -2,-0.3 2,-0.3 -0.790 14.5-133.3-135.1-178.6 -34.3 -22.9 -33.4 5 9 A D E > -A 170 0A 40 -2,-0.2 4,-2.2 165,-0.2 3,-0.2 -0.857 31.1 -96.0-135.5 176.1 -30.8 -23.6 -35.0 6 10 A G H > S+ 0 0 0 163,-1.6 4,-2.8 160,-0.4 5,-0.3 0.892 120.7 56.7 -58.7 -40.1 -27.3 -24.6 -34.0 7 11 A M H > S+ 0 0 21 160,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.918 110.0 43.7 -58.4 -45.2 -26.2 -20.9 -33.8 8 12 A H H > S+ 0 0 70 159,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.887 112.9 54.1 -67.5 -35.9 -28.9 -20.0 -31.3 9 13 A I H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.929 108.6 46.3 -65.1 -48.2 -28.2 -23.2 -29.3 10 14 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.914 112.4 51.0 -66.7 -38.1 -24.5 -22.5 -28.9 11 15 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.933 111.7 47.6 -59.9 -46.6 -25.1 -18.9 -27.9 12 16 A E H X S+ 0 0 55 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.892 110.7 52.5 -61.8 -39.2 -27.7 -20.1 -25.2 13 17 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.914 109.8 48.3 -63.7 -42.5 -25.1 -22.7 -24.0 14 18 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 3,-0.2 0.935 112.0 50.2 -61.2 -45.6 -22.5 -20.0 -23.6 15 19 A K H ><5S+ 0 0 77 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.934 108.5 50.5 -57.6 -49.9 -25.0 -17.8 -21.7 16 20 A Q H 3<5S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.1 56.4 -60.8 -27.9 -26.0 -20.5 -19.3 17 21 A N T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.185 120.1-109.4 -92.7 18.4 -22.4 -21.2 -18.6 18 22 A N T < 5 + 0 0 99 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.757 60.7 158.5 62.2 31.5 -21.8 -17.6 -17.6 19 23 A I < + 0 0 11 -5,-2.3 -1,-0.2 1,-0.2 3,-0.1 -0.758 5.9 166.3 -79.6 119.9 -19.8 -16.5 -20.6 20 24 A D + 0 0 95 -2,-0.7 23,-2.9 1,-0.2 2,-0.3 0.452 56.7 46.2-115.3 -1.4 -20.2 -12.8 -20.7 21 25 A T E -b 43 0B 18 21,-0.2 48,-0.5 2,-0.0 2,-0.4 -0.999 54.5-170.1-141.9 139.2 -17.4 -11.9 -23.1 22 26 A I E -b 44 0B 2 21,-2.5 23,-3.0 -2,-0.3 2,-0.5 -0.999 8.3-160.2-127.2 129.7 -16.2 -13.2 -26.5 23 27 A Y E +bc 45 70B 3 46,-2.8 48,-2.2 -2,-0.4 2,-0.3 -0.933 39.3 113.4-105.3 128.7 -13.0 -12.0 -28.1 24 28 A G E -bc 46 71B 0 21,-2.6 23,-2.8 -2,-0.5 2,-0.3 -0.921 59.9-111.6-167.4-175.0 -12.8 -12.6 -31.9 25 29 A V - 0 0 32 46,-1.7 48,-0.3 -2,-0.3 5,-0.1 -0.944 39.9-147.3-140.1 126.8 -12.7 -11.6 -35.6 26 30 A V + 0 0 56 -2,-0.3 2,-0.3 46,-0.1 47,-0.2 -0.108 38.2 118.1 -92.5-172.0 -15.8 -12.4 -37.6 27 31 A G >> + 0 0 25 45,-0.1 3,-2.2 -2,-0.0 4,-0.9 -0.814 61.6 14.2 138.4-179.3 -16.4 -13.4 -41.2 28 32 A I T 34 S+ 0 0 104 1,-0.3 46,-0.9 -2,-0.3 72,-0.1 -0.449 124.4 4.9 -64.4 137.4 -18.0 -16.6 -42.7 29 33 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 -0.844 129.2 47.4-103.3 28.6 -19.5 -18.6 -41.1 30 34 A V T <> S+ 0 0 1 -3,-2.2 4,-2.2 1,-0.1 -2,-0.2 0.371 73.6 97.1-113.7 1.9 -19.6 -16.9 -37.7 31 35 A T H X S+ 0 0 36 -4,-0.9 4,-2.5 1,-0.2 5,-0.2 0.930 89.5 47.4 -59.9 -45.7 -20.6 -13.3 -38.1 32 36 A D H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 108.6 55.8 -66.2 -36.4 -24.3 -14.0 -37.3 33 37 A M H > S+ 0 0 3 -4,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.920 109.4 46.4 -57.5 -46.7 -23.2 -15.9 -34.2 34 38 A A H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.919 112.8 49.4 -61.1 -47.0 -21.3 -12.9 -33.0 35 39 A R H X S+ 0 0 162 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.904 114.5 45.1 -59.2 -41.5 -24.2 -10.6 -33.7 36 40 A H H X S+ 0 0 36 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.911 109.8 53.7 -72.1 -43.7 -26.6 -12.8 -31.9 37 41 A A H <>S+ 0 0 1 -4,-2.9 5,-2.2 -5,-0.2 -2,-0.2 0.926 111.9 46.2 -51.6 -46.8 -24.3 -13.4 -29.0 38 42 A Q H ><5S+ 0 0 115 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.903 108.2 56.0 -65.6 -39.5 -24.1 -9.6 -28.6 39 43 A A H 3<5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.876 105.1 54.2 -53.7 -38.9 -28.0 -9.4 -29.0 40 44 A E T 3<5S- 0 0 70 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.320 129.1 -96.5 -84.1 5.5 -28.2 -11.8 -26.0 41 45 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.491 78.1 138.2 92.9 6.6 -26.0 -9.5 -23.8 42 46 A I < - 0 0 6 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.687 58.4-120.0 -75.5 133.3 -22.6 -11.1 -24.3 43 47 A R E -b 21 0B 111 -23,-2.9 -21,-2.5 -2,-0.4 2,-0.5 -0.669 27.5-154.2 -76.0 124.0 -19.9 -8.4 -24.7 44 48 A Y E -b 22 0B 29 -2,-0.5 2,-0.6 -23,-0.2 -21,-0.2 -0.890 9.8-169.9-102.4 125.5 -18.2 -8.8 -28.2 45 49 A I E -b 23 0B 0 -23,-3.0 -21,-2.6 -2,-0.5 2,-0.4 -0.963 9.8-158.4-114.5 113.6 -14.7 -7.5 -28.6 46 50 A G E -b 24 0B 8 -2,-0.6 -21,-0.2 -23,-0.2 2,-0.1 -0.788 9.9-158.0 -97.8 134.0 -13.5 -7.6 -32.2 47 51 A F - 0 0 12 -23,-2.8 3,-0.1 -2,-0.4 405,-0.0 -0.448 27.8-125.4-107.4 172.0 -9.8 -7.6 -33.0 48 52 A R S S+ 0 0 121 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.618 101.3 17.4 -89.1 -14.8 -7.5 -6.6 -35.9 49 53 A H S >> S- 0 0 66 -25,-0.1 4,-1.3 400,-0.1 3,-0.6 -0.971 75.1-127.5-156.7 139.6 -5.9 -10.1 -35.9 50 54 A E H 3> S+ 0 0 18 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.759 103.5 66.5 -64.6 -28.2 -7.1 -13.4 -34.3 51 55 A Q H 3> S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 102.9 47.3 -63.8 -38.7 -3.8 -14.0 -32.4 52 56 A S H <> S+ 0 0 2 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.869 109.6 53.9 -66.2 -34.9 -4.5 -11.0 -30.3 53 57 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.915 110.4 47.3 -58.7 -45.7 -8.1 -12.2 -29.7 54 58 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.853 110.4 51.2 -64.9 -40.4 -6.7 -15.5 -28.5 55 59 A Y H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 109.5 51.5 -62.8 -43.5 -4.1 -13.8 -26.2 56 60 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 109.6 49.8 -57.2 -46.0 -7.0 -11.7 -24.7 57 61 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 11,-0.4 0.930 111.3 47.8 -59.9 -47.6 -9.0 -14.9 -24.1 58 62 A A H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.903 110.0 52.9 -62.7 -42.8 -6.1 -16.7 -22.4 59 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.928 108.4 50.5 -54.7 -49.8 -5.4 -13.6 -20.2 60 64 A S H X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 6,-0.4 0.894 110.8 50.0 -58.2 -39.0 -9.0 -13.6 -19.1 61 65 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 33,-0.2 3,-0.2 0.920 109.1 50.7 -65.5 -43.5 -8.7 -17.3 -18.2 62 66 A F H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.9 45.7 -59.2 -40.4 -5.5 -16.7 -16.2 63 67 A L H < S+ 0 0 16 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.783 128.8 21.1 -74.4 -26.9 -7.2 -13.9 -14.2 64 68 A T H < S- 0 0 55 -4,-1.4 -2,-0.2 2,-0.3 -3,-0.2 0.591 86.7-124.9-120.9 -17.8 -10.5 -15.7 -13.5 65 69 A Q S < S+ 0 0 65 -4,-2.6 -4,-0.1 1,-0.3 -3,-0.1 0.599 80.6 112.4 65.7 12.5 -10.2 -19.5 -13.8 66 70 A K S S- 0 0 75 -6,-0.4 -2,-0.3 -5,-0.2 -1,-0.3 -0.969 81.5-106.2-109.2 132.6 -13.1 -19.3 -16.3 67 71 A P - 0 0 6 0, 0.0 28,-0.3 0, 0.0 2,-0.2 -0.341 30.6-128.0 -64.6 130.2 -12.0 -20.2 -19.9 68 72 A G E - d 0 95B 4 26,-1.6 28,-2.8 -11,-0.4 2,-0.5 -0.532 23.1-131.1 -67.2 147.3 -11.7 -17.1 -22.1 69 73 A I E - d 0 96B 2 -48,-0.5 -46,-2.8 26,-0.2 2,-0.4 -0.911 22.4-174.1-110.4 124.4 -13.6 -17.5 -25.4 70 74 A C E -cd 23 97B 0 26,-2.6 28,-3.3 -2,-0.5 2,-0.5 -0.969 8.0-160.1-116.0 130.7 -12.0 -16.7 -28.7 71 75 A L E +cd 24 98B 1 -48,-2.2 -46,-1.7 -2,-0.4 2,-0.3 -0.933 17.7 164.6-117.0 127.5 -14.1 -16.9 -31.9 72 76 A T E - d 0 99B 0 26,-2.5 28,-1.9 -2,-0.5 -46,-0.1 -0.883 32.3-114.1-133.7 167.6 -12.6 -17.2 -35.4 73 77 A V - 0 0 13 -2,-0.3 5,-0.2 -48,-0.3 -1,-0.1 -0.110 52.9 -69.2 -79.6-169.6 -13.6 -18.1 -39.0 74 78 A S S >> S- 0 0 1 -46,-0.9 4,-2.2 3,-0.2 3,-1.4 0.222 89.7 -23.6 -74.5-164.4 -12.4 -21.1 -40.9 75 79 A A H 3> S+ 0 0 12 40,-1.0 4,-2.8 1,-0.2 5,-0.2 0.536 133.0 39.8 -18.3 -69.0 -8.8 -21.9 -42.2 76 80 A P H 3> S+ 0 0 71 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.913 126.9 35.6 -58.8 -41.3 -7.1 -18.5 -42.5 77 81 A G H <> S+ 0 0 2 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.890 115.2 56.4 -77.5 -40.8 -8.5 -17.1 -39.3 78 82 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.913 105.8 51.3 -52.9 -49.0 -8.4 -20.4 -37.5 79 83 A L H X S+ 0 0 87 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.896 108.8 50.4 -62.8 -39.7 -4.7 -20.7 -38.1 80 84 A N H X S+ 0 0 58 -4,-1.3 4,-0.8 -5,-0.2 3,-0.5 0.932 113.9 44.9 -60.3 -47.0 -4.0 -17.2 -36.7 81 85 A G H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.6 0.846 103.9 65.3 -64.6 -35.6 -6.0 -18.1 -33.6 82 86 A L H 3X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.858 92.9 60.6 -55.9 -38.4 -4.3 -21.4 -33.3 83 87 A T H 3X S+ 0 0 61 -4,-1.2 4,-1.3 -3,-0.5 -1,-0.2 0.886 110.2 42.2 -56.4 -38.2 -0.9 -19.7 -32.7 84 88 A A H S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-1.6 0.921 109.8 48.6 -61.4 -45.2 -2.3 -20.8 -23.8 89 93 A T H <5S+ 0 0 32 -4,-2.1 -2,-0.2 37,-0.4 -1,-0.2 0.915 111.4 49.6 -62.4 -42.9 -1.7 -24.6 -23.6 90 94 A V H <5S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 117.1 41.2 -61.9 -41.2 2.1 -24.1 -23.0 91 95 A N H <5S- 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.622 111.5-115.9 -84.0 -16.7 1.5 -21.5 -20.3 92 96 A G T <5 + 0 0 8 -4,-1.6 64,-0.2 1,-0.3 -3,-0.2 0.805 62.5 146.2 84.9 32.6 -1.4 -23.3 -18.5 93 97 A F < - 0 0 2 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.875 47.6-123.9-105.2 130.1 -4.1 -20.7 -19.2 94 98 A P + 0 0 0 0, 0.0 -26,-1.6 0, 0.0 2,-0.3 -0.552 46.9 141.0 -77.5 132.9 -7.7 -21.9 -19.8 95 99 A M E -de 68 157B 0 61,-1.7 63,-2.0 -28,-0.3 2,-0.5 -0.974 38.5-142.5-159.6 159.8 -9.4 -20.9 -23.0 96 100 A I E -de 69 158B 0 -28,-2.8 -26,-2.6 -2,-0.3 2,-0.7 -0.997 10.9-157.3-125.8 120.6 -11.7 -22.2 -25.7 97 101 A M E -de 70 159B 0 61,-2.6 63,-3.0 -2,-0.5 2,-0.5 -0.922 10.5-164.8 -95.8 120.7 -11.2 -21.2 -29.3 98 102 A I E +de 71 160B 1 -28,-3.3 -26,-2.5 -2,-0.7 2,-0.4 -0.925 13.3 178.0-105.1 121.8 -14.4 -21.7 -31.2 99 103 A S E -de 72 161B 0 61,-2.0 63,-3.0 -2,-0.5 -26,-0.2 -0.987 27.6-127.6-126.6 139.1 -14.0 -21.7 -35.0 100 104 A G E - e 0 162B 0 -28,-1.9 2,-0.3 -2,-0.4 -22,-0.1 -0.472 30.2-167.2 -66.1 150.3 -16.3 -22.1 -37.9 101 105 A S E - e 0 163B 3 61,-1.4 63,-2.6 1,-0.2 64,-0.1 -0.874 15.1-111.6-135.9 175.3 -15.3 -24.7 -40.4 102 106 A S - 0 0 13 13,-0.3 2,-0.6 15,-0.3 63,-0.3 0.269 60.6 -36.7 -94.1-148.5 -16.4 -25.6 -44.0 103 107 A D > - 0 0 55 11,-0.2 4,-2.9 1,-0.2 5,-0.3 -0.658 46.2-151.9 -86.0 114.3 -18.3 -28.6 -45.6 104 108 A R H > S+ 0 0 37 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.854 94.8 52.3 -51.1 -39.3 -17.2 -31.8 -43.9 105 109 A A H > S+ 0 0 62 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.919 114.0 41.3 -67.2 -43.2 -17.9 -33.8 -47.1 106 110 A I H 4>S+ 0 0 50 -3,-0.2 5,-1.8 2,-0.2 3,-0.5 0.919 116.9 47.8 -72.3 -43.0 -15.8 -31.6 -49.3 107 111 A V H ><5S+ 0 0 10 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.925 107.2 56.0 -64.2 -42.9 -13.0 -31.2 -46.8 108 112 A D H 3<5S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.725 111.9 44.3 -63.2 -23.2 -12.8 -35.0 -46.2 109 113 A L T 3<5S- 0 0 121 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.379 106.3-129.9 -98.1 1.2 -12.3 -35.5 -50.0 110 114 A Q T < 5 + 0 0 160 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.890 55.1 150.2 51.1 47.7 -9.7 -32.6 -50.2 111 115 A Q S - 0 0 32 1,-0.2 3,-1.1 -7,-0.1 2,-0.2 -0.157 43.7 -75.0 -62.1 161.7 -13.6 -26.3 -50.4 114 118 A Y T 3 S- 0 0 111 1,-0.3 -11,-0.2 -39,-0.0 -1,-0.2 -0.463 120.2 -5.0 -50.4 128.4 -13.8 -22.7 -49.3 115 119 A E T 3 S- 0 0 50 1,-0.2 -40,-1.0 -2,-0.2 2,-0.4 0.891 95.3-161.2 43.0 55.7 -11.2 -22.3 -46.5 116 120 A E < + 0 0 63 -3,-1.1 2,-0.3 -42,-0.1 -1,-0.2 -0.523 31.0 125.3 -76.7 121.0 -10.4 -26.0 -46.6 117 121 A L - 0 0 54 -2,-0.4 2,-1.8 -42,-0.0 -15,-0.3 -0.883 62.7-121.9-165.2 141.6 -8.6 -27.5 -43.6 118 122 A D > + 0 0 52 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.679 42.1 177.1 -79.3 87.2 -9.2 -30.3 -41.1 119 123 A Q H > + 0 0 1 -2,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.841 69.2 58.8 -67.7 -34.2 -9.1 -27.8 -38.3 120 124 A M H > S+ 0 0 38 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.963 111.8 40.3 -60.1 -51.0 -9.9 -30.3 -35.6 121 125 A N H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.867 112.2 57.2 -66.1 -37.0 -6.8 -32.4 -36.4 122 126 A A H < S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 109.0 46.5 -58.7 -35.4 -4.7 -29.2 -37.0 123 127 A A H >< S+ 0 0 0 -4,-1.9 3,-2.0 -3,-0.3 4,-0.4 0.738 88.3 89.1 -84.2 -23.1 -5.4 -28.0 -33.5 124 128 A K G >< S+ 0 0 90 -4,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.813 84.0 51.5 -47.2 -46.9 -4.8 -31.4 -31.7 125 129 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.707 116.6 41.6 -63.5 -17.8 -1.0 -30.8 -31.1 126 130 A Y G < S+ 0 0 105 -3,-2.0 -37,-0.4 -4,-0.2 2,-0.3 0.218 108.5 63.6-114.7 5.9 -1.6 -27.4 -29.5 127 131 A A S < S- 0 0 13 -3,-1.1 31,-0.2 -4,-0.4 3,-0.1 -0.945 75.6-125.6-134.1 155.2 -4.7 -28.1 -27.4 128 132 A K S S- 0 0 47 29,-3.0 2,-0.3 -2,-0.3 30,-0.2 0.852 100.9 -8.6 -64.9 -36.7 -5.7 -30.2 -24.4 129 133 A A E -f 158 0B 17 28,-0.7 30,-2.3 -6,-0.1 2,-0.4 -0.977 60.0-150.7-155.1 156.0 -8.5 -31.5 -26.6 130 134 A A E -f 159 0B 7 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.986 20.7-177.7-130.7 121.0 -10.0 -30.7 -30.0 131 135 A F E -f 160 0B 37 28,-3.0 30,-2.9 -2,-0.4 2,-0.4 -0.892 12.0-160.0-118.4 147.0 -13.7 -31.4 -30.5 132 136 A R E -f 161 0B 52 -2,-0.3 2,-0.7 28,-0.2 30,-0.2 -0.997 9.8-148.9-127.5 135.6 -15.9 -31.1 -33.6 133 137 A V + 0 0 6 28,-2.6 33,-0.2 -2,-0.4 6,-0.1 -0.885 23.4 166.0-111.3 113.7 -19.7 -30.8 -33.5 134 138 A N + 0 0 97 -2,-0.7 -1,-0.1 28,-0.1 -30,-0.0 0.702 65.5 53.6 -93.7 -22.7 -21.7 -32.2 -36.4 135 139 A Q S > S- 0 0 97 1,-0.1 3,-2.0 -129,-0.0 4,-0.3 -0.944 72.0-138.5-121.8 133.3 -25.3 -32.3 -34.8 136 140 A P G > S+ 0 0 12 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.820 103.3 63.0 -62.9 -29.3 -27.0 -29.3 -33.1 137 141 A Q G 3 S+ 0 0 74 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.560 101.5 53.6 -68.4 -11.6 -28.3 -31.6 -30.3 138 142 A D G <> S+ 0 0 45 -3,-2.0 4,-2.4 2,-0.1 -1,-0.2 0.430 81.3 90.9-101.5 -3.3 -24.6 -32.2 -29.3 139 143 A L H <> S+ 0 0 1 -3,-1.3 4,-2.2 -4,-0.3 5,-0.2 0.880 86.1 50.3 -59.6 -41.3 -23.6 -28.5 -29.0 140 144 A G H > S+ 0 0 1 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.952 113.8 42.1 -66.3 -46.9 -24.5 -28.3 -25.3 141 145 A I H > S+ 0 0 26 38,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.892 112.6 56.1 -69.5 -33.6 -22.6 -31.4 -24.3 142 146 A A H X S+ 0 0 11 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.921 108.8 46.2 -61.2 -45.8 -19.7 -30.4 -26.5 143 147 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.909 109.9 54.6 -64.5 -40.7 -19.4 -27.0 -24.8 144 148 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.926 109.7 47.1 -56.5 -45.8 -19.6 -28.8 -21.4 145 149 A R H X S+ 0 0 57 -4,-2.5 4,-3.2 707,-0.3 5,-0.3 0.925 111.4 51.3 -58.7 -48.1 -16.6 -31.0 -22.4 146 150 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.909 111.2 47.2 -61.8 -43.9 -14.7 -28.0 -23.6 147 151 A I H X S+ 0 0 8 -4,-2.8 4,-1.6 2,-0.2 5,-0.2 0.963 115.2 44.8 -61.0 -52.9 -15.2 -26.1 -20.4 148 152 A R H X S+ 0 0 7 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.921 115.2 47.8 -59.9 -45.7 -14.2 -29.0 -18.2 149 153 A V H < S+ 0 0 0 -4,-3.2 3,-0.2 1,-0.2 -1,-0.2 0.939 109.3 53.7 -59.3 -46.7 -11.2 -29.9 -20.3 150 154 A S H < S+ 0 0 0 -4,-2.6 6,-2.1 -5,-0.3 -1,-0.2 0.821 120.0 29.7 -60.8 -34.7 -9.9 -26.3 -20.4 151 155 A V H < S+ 0 0 5 -4,-1.6 -1,-0.2 4,-0.2 -2,-0.2 0.562 101.5 88.0-104.7 -13.2 -9.9 -25.8 -16.6 152 156 A S S < S- 0 0 3 -4,-1.6 35,-0.1 -5,-0.2 4,-0.1 -0.397 93.4 -2.9 -85.9 166.1 -9.3 -29.2 -15.2 153 157 A G S S- 0 0 25 -2,-0.1 147,-0.1 146,-0.1 146,-0.1 -0.218 138.1 -9.2 56.3-141.3 -5.8 -30.6 -14.6 154 158 A R S S- 0 0 40 145,-0.1 -2,-0.2 1,-0.1 -62,-0.1 -0.825 96.1-119.4 -80.9 118.2 -3.2 -28.2 -15.8 155 159 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.125 49.7 140.7 -59.1 158.3 -5.4 -25.6 -17.6 156 160 A G - 0 0 0 -6,-2.1 -61,-1.7 -64,-0.2 2,-0.2 -0.964 47.4 -48.7-173.5-169.5 -5.0 -25.0 -21.3 157 161 A G E -e 95 0B 0 -72,-0.4 -29,-3.0 -2,-0.3 -28,-0.7 -0.550 39.6-166.8 -83.1 142.8 -6.5 -24.3 -24.7 158 162 A V E -ef 96 129B 0 -63,-2.0 -61,-2.6 -2,-0.2 2,-0.5 -0.986 13.3-140.7-125.1 140.2 -9.4 -26.4 -26.1 159 163 A Y E -ef 97 130B 0 -30,-2.3 -28,-3.0 -2,-0.4 2,-0.5 -0.889 14.0-171.2-101.4 129.2 -10.5 -26.2 -29.7 160 164 A L E -ef 98 131B 0 -63,-3.0 -61,-2.0 -2,-0.5 2,-0.5 -0.959 9.8-158.4-122.6 111.2 -14.2 -26.4 -30.5 161 165 A D E -ef 99 132B 0 -30,-2.9 -28,-2.6 -2,-0.5 -61,-0.2 -0.813 8.1-171.5 -98.2 122.4 -15.0 -26.7 -34.2 162 166 A L E -e 100 0B 1 -63,-3.0 -61,-1.4 -2,-0.5 -28,-0.1 -0.879 16.4-145.3-114.0 97.1 -18.4 -25.7 -35.5 163 167 A P E >> -e 101 0B 4 0, 0.0 4,-1.3 0, 0.0 3,-1.3 -0.293 26.5-114.2 -57.6 145.7 -19.0 -26.7 -39.2 164 168 A A H 3> S+ 0 0 34 -63,-2.6 4,-1.4 -62,-0.3 3,-0.4 0.874 115.9 59.1 -50.5 -39.4 -21.1 -24.1 -41.0 165 169 A N H 3> S+ 0 0 111 -63,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.813 100.2 53.4 -62.6 -33.1 -23.8 -26.8 -41.4 166 170 A V H <4 S+ 0 0 2 -3,-1.3 -160,-0.4 2,-0.2 -1,-0.2 0.838 106.0 54.2 -70.6 -32.3 -24.2 -27.3 -37.6 167 171 A L H < S+ 0 0 13 -4,-1.3 -160,-2.5 -3,-0.4 -159,-0.3 0.874 116.0 38.6 -65.9 -37.2 -24.8 -23.5 -37.1 168 172 A A H < S+ 0 0 67 -4,-1.4 -2,-0.2 -162,-0.2 -1,-0.2 0.674 91.4 112.2 -84.3 -21.6 -27.6 -23.6 -39.7 169 173 A A < - 0 0 32 -4,-1.4 -163,-1.6 -5,-0.2 2,-0.3 -0.268 59.0-140.8 -62.1 137.5 -29.0 -27.0 -38.6 170 174 A T E +A 5 0A 92 -165,-0.2 2,-0.3 -164,-0.1 -165,-0.2 -0.666 25.6 166.4-105.1 153.9 -32.5 -26.8 -37.1 171 175 A M E -A 4 0A 15 -167,-1.8 -167,-3.0 -2,-0.3 2,-0.1 -0.970 48.1 -78.8-150.3 164.7 -34.3 -28.5 -34.2 172 176 A E E > -A 3 0A 48 -2,-0.3 4,-2.7 -169,-0.2 -169,-0.3 -0.473 41.8-131.2 -63.9 136.8 -37.4 -27.9 -32.2 173 177 A K H > S+ 0 0 89 -171,-2.7 4,-2.3 1,-0.2 5,-0.1 0.882 102.1 48.6 -63.1 -45.9 -36.8 -25.2 -29.6 174 178 A D H > S+ 0 0 109 -172,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.938 115.1 45.2 -60.6 -46.6 -38.2 -27.0 -26.5 175 179 A E H >> S+ 0 0 107 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.925 110.4 56.4 -62.3 -42.0 -36.2 -30.1 -27.3 176 180 A A H >< S+ 0 0 3 -4,-2.7 3,-1.7 1,-0.2 4,-0.3 0.908 101.6 56.1 -56.3 -43.5 -33.1 -27.9 -28.0 177 181 A L H >< S+ 0 0 75 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.825 100.1 59.6 -61.0 -28.7 -33.4 -26.4 -24.5 178 182 A T H << S+ 0 0 115 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.661 100.3 57.4 -72.5 -16.0 -33.2 -29.9 -22.9 179 183 A T T << S+ 0 0 30 -3,-1.7 2,-0.3 -4,-0.6 -38,-0.3 0.416 80.9 104.0 -96.2 -2.0 -29.8 -30.5 -24.6 180 184 A I < - 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0 0 14 3,-0.2 3,-1.5 1,-0.2 -1,-0.1 -0.054 43.7 -24.9 73.3-162.3 5.5 -16.4 -20.7 415 419 A T T 3 5S+ 0 0 12 1,-0.3 -1,-0.2 -328,-0.2 -136,-0.1 0.790 139.4 42.9 -65.6 -32.2 7.1 -19.9 -21.1 416 420 A W T 3 5S- 0 0 141 -3,-0.4 -1,-0.3 -329,-0.1 -2,-0.2 0.389 103.9-128.3 -94.5 2.8 7.6 -19.6 -24.9 417 421 A G T < 5 - 0 0 35 -3,-1.5 2,-0.4 -4,-0.2 -3,-0.2 0.885 39.1-172.6 53.3 47.0 8.9 -16.0 -24.7 418 422 A V > < - 0 0 27 -5,-1.8 3,-0.6 -6,-0.1 2,-0.5 -0.562 19.7-150.0 -76.9 126.2 6.4 -14.9 -27.3 419 423 A M T 3 S+ 0 0 53 -2,-0.4 27,-0.1 1,-0.2 -29,-0.0 -0.826 81.0 53.6 -84.5 133.2 6.6 -11.4 -28.7 420 424 A G T 3 S+ 0 0 0 -2,-0.5 4,-0.4 -368,-0.0 -1,-0.2 0.368 71.9 100.7 124.5 1.0 3.1 -10.2 -29.7 421 425 A I <> + 0 0 0 -3,-0.6 4,-2.7 1,-0.1 5,-0.3 0.571 58.2 91.6 -85.1 -7.2 1.1 -10.8 -26.5 422 426 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 88.7 34.9 -64.5 -54.9 1.1 -7.1 -25.4 423 427 A M H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.924 119.7 49.5 -69.4 -42.3 -2.0 -5.7 -26.9 424 428 A G H > S+ 0 0 0 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.925 112.9 47.1 -59.3 -46.7 -4.2 -8.8 -26.5 425 429 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.906 112.6 50.1 -62.8 -40.2 -3.2 -9.2 -22.9 426 430 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.927 113.8 45.1 -63.1 -45.2 -3.8 -5.5 -22.2 427 431 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.949 115.1 47.3 -63.2 -50.9 -7.3 -5.7 -23.9 428 432 A G H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.925 114.8 46.5 -55.0 -46.8 -8.1 -9.0 -22.0 429 433 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 6,-0.4 0.934 115.8 45.2 -64.8 -45.2 -7.0 -7.6 -18.7 430 434 A S H X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.929 116.1 44.7 -64.2 -49.2 -8.8 -4.3 -19.1 431 435 A V H < S+ 0 0 10 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.928 117.4 45.7 -60.9 -45.3 -12.1 -5.9 -20.4 432 436 A T H < S+ 0 0 50 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.921 126.0 27.1 -63.6 -47.6 -12.0 -8.5 -17.6 433 437 A S H < S- 0 0 37 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.698 86.5-134.8 -91.8 -27.1 -11.2 -6.2 -14.7 434 438 A G < + 0 0 47 -4,-2.5 -4,-0.1 -5,-0.3 -3,-0.1 0.552 68.7 123.8 72.6 10.4 -12.5 -2.8 -15.6 435 439 A S S S- 0 0 29 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.550 70.1 -93.3-101.1 160.7 -9.1 -1.5 -14.4 436 440 A P - 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