==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-FEB-07 2JI8 . COMPND 2 MOLECULE: OXALYL-COA DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR C.L.BERTHOLD,C.G.TOYOTA,P.MOUSSATCHE,M.D.WOOD,F.LEEPER, . 1115 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 826 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 161 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.4 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 . 2 0.2 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 . 1 0.1 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 . 93 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 361 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 3 5 3 5 0 3 1 4 5 3 4 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 3 8 8 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 . 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 7 A V 0 0 169 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.7 18.2 -13.9 -17.2 2 8 A E - 0 0 145 1,-0.0 171,-1.9 170,-0.0 172,-0.4 -0.434 360.0-152.3 -79.0 145.4 20.8 -14.3 -14.4 3 9 A L E -A 172 0A 105 169,-0.3 2,-0.2 -2,-0.1 169,-0.2 -0.901 17.3-175.3-126.0 141.9 24.0 -12.3 -14.4 4 10 A T E -A 171 0A 23 167,-2.7 167,-1.7 -2,-0.3 2,-0.3 -0.683 22.7-137.2-116.1 177.4 27.6 -12.6 -13.1 5 11 A D E > -A 170 0A 34 -2,-0.2 4,-2.1 165,-0.2 3,-0.4 -0.810 28.8 -91.3-135.2 172.6 30.3 -9.9 -13.3 6 12 A G H > S+ 0 0 0 163,-1.7 4,-2.1 161,-0.5 5,-0.2 0.784 118.9 60.0 -53.6 -35.8 34.0 -9.3 -14.1 7 13 A F H > S+ 0 0 1 160,-1.2 4,-2.0 162,-0.2 -1,-0.2 0.952 113.5 36.0 -56.9 -49.9 35.0 -9.7 -10.5 8 14 A H H > S+ 0 0 66 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.727 111.7 56.9 -79.9 -30.5 33.6 -13.2 -10.3 9 15 A V H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.924 113.1 44.2 -68.3 -40.7 34.4 -14.4 -13.8 10 16 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.908 113.5 50.2 -63.9 -46.2 38.1 -13.5 -12.9 11 17 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.937 115.4 43.0 -55.4 -50.1 37.7 -15.2 -9.4 12 18 A D H X S+ 0 0 52 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.883 112.4 52.8 -64.6 -42.1 36.3 -18.3 -11.0 13 19 A A H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.891 110.9 47.2 -61.4 -43.0 38.9 -18.3 -13.8 14 20 A L H <>S+ 0 0 1 -4,-2.6 5,-2.3 1,-0.2 3,-0.3 0.921 113.4 48.3 -63.7 -43.4 41.7 -18.1 -11.3 15 21 A K H ><5S+ 0 0 69 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.849 106.0 57.8 -65.2 -33.8 40.2 -20.9 -9.2 16 22 A M H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.5 50.9 -68.3 -31.7 39.7 -23.0 -12.4 17 23 A N T 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.086 126.4-103.2 -89.3 18.2 43.5 -22.8 -12.9 18 24 A D T < 5S+ 0 0 89 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.648 71.5 145.2 70.7 21.9 44.1 -23.9 -9.3 19 25 A I < + 0 0 7 -5,-2.3 -1,-0.2 1,-0.1 -2,-0.1 -0.820 7.2 155.7 -86.3 122.0 45.0 -20.5 -7.8 20 26 A D + 0 0 71 -2,-0.6 23,-2.4 1,-0.1 2,-0.3 0.285 59.7 57.9-122.0 4.2 43.7 -20.3 -4.2 21 27 A T E -b 43 0B 13 21,-0.2 48,-0.4 2,-0.0 2,-0.3 -0.997 53.3-179.1-140.4 137.4 46.1 -17.7 -2.9 22 28 A M E -b 44 0B 0 21,-1.8 23,-2.1 -2,-0.3 2,-0.4 -0.957 14.0-152.2-129.1 154.5 47.1 -14.1 -3.8 23 29 A Y E +bc 45 70B 3 46,-2.1 48,-2.3 -2,-0.3 2,-0.3 -0.993 42.2 115.4-121.4 129.6 49.7 -11.8 -2.3 24 30 A G E -bc 46 71B 0 21,-3.0 23,-2.6 -2,-0.4 2,-0.3 -0.918 57.1-108.2-165.4-171.3 49.0 -8.1 -2.6 25 31 A V - 0 0 3 46,-1.5 48,-0.1 -2,-0.3 23,-0.1 -0.957 38.3-139.5-141.2 131.6 48.2 -4.6 -1.4 26 32 A V + 0 0 10 -2,-0.3 2,-0.2 1025,-0.3 47,-0.2 0.021 42.5 111.0 -88.9-168.2 44.8 -3.1 -2.0 27 33 A G >> + 0 0 8 45,-0.1 3,-1.8 1009,-0.1 4,-0.6 -0.634 61.6 13.6 121.5 171.9 43.5 0.4 -3.0 28 34 A I T 34 S+ 0 0 8 1,-0.3 46,-0.8 -2,-0.2 1086,-0.1 -0.335 122.3 1.2 -62.0 135.1 41.7 1.7 -6.2 29 35 A P T 34 S+ 0 0 5 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.863 130.6 46.6-107.1 25.6 40.6 -0.1 -8.4 30 36 A I T <> S+ 0 0 0 -3,-1.8 4,-1.9 1,-0.1 3,-0.2 0.280 74.1 101.1-113.3 6.7 41.2 -3.6 -7.0 31 37 A T H X S+ 0 0 0 -4,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.940 86.2 47.5 -60.9 -48.2 40.1 -3.5 -3.3 32 38 A N H > S+ 0 0 26 1083,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.716 107.0 56.6 -71.5 -22.4 36.8 -5.2 -3.9 33 39 A L H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 109.4 47.9 -63.6 -47.0 38.5 -7.9 -6.0 34 40 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.925 112.8 47.9 -57.9 -47.9 40.6 -8.6 -2.9 35 41 A R H X S+ 0 0 36 -4,-2.4 4,-2.6 1,-0.2 3,-0.2 0.926 112.4 47.6 -59.1 -49.0 37.5 -8.6 -0.7 36 42 A M H X S+ 0 0 36 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.827 104.0 60.9 -68.2 -32.8 35.5 -11.0 -2.9 37 43 A W H X>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-0.7 0.941 112.6 39.6 -52.2 -46.9 38.5 -13.3 -3.2 38 44 A Q H <5S+ 0 0 4 -4,-1.5 3,-0.5 3,-0.2 -2,-0.2 0.869 111.9 54.8 -73.7 -43.2 38.3 -13.7 0.6 39 45 A D H <5S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.887 105.3 55.0 -52.2 -45.7 34.4 -13.8 0.7 40 46 A D H <5S- 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.763 129.2 -99.9 -62.8 -27.0 34.5 -16.7 -1.8 41 47 A G T <5S+ 0 0 37 -4,-0.7 -3,-0.2 -3,-0.5 2,-0.2 0.599 79.5 124.8 118.4 20.9 36.8 -18.5 0.6 42 48 A Q < - 0 0 39 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.3 -0.644 60.7 -97.6-109.0 163.2 40.3 -18.0 -0.8 43 49 A R E -b 21 0B 94 -23,-2.4 -21,-1.8 -2,-0.2 2,-0.4 -0.644 32.1-179.9 -86.1 133.2 43.5 -16.6 0.8 44 50 A F E -b 22 0B 3 -2,-0.4 2,-0.7 -23,-0.2 -21,-0.2 -0.995 10.8-161.0-124.8 126.3 44.7 -13.0 0.4 45 51 A Y E -b 23 0B 19 -23,-2.1 -21,-3.0 -2,-0.4 2,-0.4 -0.929 11.3-155.2-104.2 109.6 47.9 -11.8 2.1 46 52 A S E -b 24 0B 4 -2,-0.7 -21,-0.2 -23,-0.2 2,-0.2 -0.713 15.9-166.4 -81.7 136.9 48.0 -8.1 2.4 47 53 A F - 0 0 7 -23,-2.6 -21,-0.2 -2,-0.4 3,-0.1 -0.481 31.7-117.6-114.5-179.3 51.5 -6.6 2.6 48 54 A R S S+ 0 0 2 1,-0.3 2,-0.3 -2,-0.2 -23,-0.1 0.546 100.9 16.3 -94.0 -13.8 53.1 -3.2 3.4 49 55 A H S >> S- 0 0 5 -25,-0.1 4,-1.2 403,-0.1 3,-0.7 -0.960 73.5-127.6-158.3 144.1 54.6 -2.7 -0.0 50 56 A E H 3> S+ 0 0 7 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.762 102.6 69.6 -73.3 -23.5 53.9 -4.4 -3.3 51 57 A Q H 3> S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 103.4 42.1 -55.9 -43.3 57.4 -5.3 -4.0 52 58 A H H <> S+ 0 0 7 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.794 109.5 57.4 -81.2 -30.0 57.4 -7.9 -1.1 53 59 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.875 111.8 45.5 -57.5 -39.1 54.0 -9.1 -2.1 54 60 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.877 107.5 53.1 -75.2 -42.9 55.7 -9.8 -5.5 55 61 A Y H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.878 110.3 52.7 -57.8 -35.5 58.8 -11.5 -4.1 56 62 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.941 108.6 46.8 -61.7 -54.7 56.4 -13.7 -2.2 57 63 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 11,-0.4 0.916 110.0 56.9 -52.3 -43.9 54.5 -14.7 -5.4 58 64 A S H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.915 110.7 40.1 -60.1 -46.0 57.8 -15.3 -7.1 59 65 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.753 108.7 61.0 -79.4 -24.5 59.0 -17.9 -4.6 60 66 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 6,-0.4 0.865 106.4 49.5 -61.2 -39.9 55.5 -19.5 -4.3 61 67 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.917 110.7 48.3 -61.4 -49.5 55.9 -20.3 -8.0 62 68 A Y H < S+ 0 0 1 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.971 116.4 43.3 -53.3 -53.1 59.4 -21.7 -7.5 63 69 A I H < S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 127.0 27.4 -65.9 -43.7 58.3 -23.9 -4.6 64 70 A E H < S- 0 0 79 -4,-2.2 -1,-0.2 2,-0.3 -3,-0.2 0.726 92.9-129.6 -92.8 -27.2 55.0 -25.2 -6.1 65 71 A G S < S+ 0 0 28 -4,-2.4 -4,-0.1 1,-0.3 -3,-0.1 0.737 78.9 98.6 74.0 21.3 55.6 -25.1 -9.8 66 72 A K S S- 0 0 58 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.3 -0.971 90.3 -80.3-129.3 153.1 52.3 -23.2 -10.4 67 73 A P - 0 0 6 0, 0.0 28,-0.3 0, 0.0 2,-0.2 -0.242 35.6-133.2 -63.8 125.1 52.3 -19.4 -10.8 68 74 A G E - d 0 95B 4 26,-2.0 28,-2.7 -11,-0.4 2,-0.5 -0.558 26.6-140.4 -63.3 134.8 52.5 -17.2 -7.7 69 75 A V E - d 0 96B 1 -48,-0.4 -46,-2.1 -2,-0.2 2,-0.4 -0.925 19.6-173.9-113.7 117.9 49.8 -14.6 -8.1 70 76 A C E -cd 23 97B 0 26,-2.4 28,-3.2 -2,-0.5 2,-0.4 -0.914 7.4-157.5-109.6 136.5 50.5 -11.0 -7.0 71 77 A L E +cd 24 98B 0 -48,-2.3 -46,-1.5 -2,-0.4 2,-0.2 -0.965 20.3 159.8-118.8 128.0 47.7 -8.2 -7.0 72 78 A T E - d 0 99B 0 26,-2.1 28,-2.1 -2,-0.4 -46,-0.1 -0.816 34.6-106.8-136.4 173.5 48.4 -4.5 -7.1 73 79 A V > - 0 0 11 -2,-0.2 5,-0.8 1,-0.2 -1,-0.1 -0.211 53.4 -72.0 -83.3-175.3 46.9 -1.0 -7.9 74 80 A S T >>5S- 0 0 1 -46,-0.8 3,-2.1 3,-0.2 4,-1.2 0.150 90.1 -17.7 -70.1-171.8 47.7 1.1 -10.9 75 81 A A H 3>5S+ 0 0 0 40,-0.8 4,-2.8 1,-0.3 5,-0.2 0.358 135.2 33.6 1.5 -81.3 50.9 3.1 -11.7 76 82 A P H 3>5S+ 0 0 11 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.876 126.9 41.1 -60.5 -37.3 52.8 3.4 -8.4 77 83 A G H <>5S+ 0 0 2 -3,-2.1 4,-2.3 2,-0.2 3,-0.3 0.959 115.1 49.1 -74.5 -53.7 51.6 0.0 -7.1 78 84 A F H XX S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.9 0.857 104.9 60.2 -63.3 -37.0 55.2 -5.2 -8.2 82 88 A V H 3X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.777 94.2 64.6 -67.7 -24.0 56.9 -5.1 -11.6 83 89 A T H 3X S+ 0 0 4 -4,-0.9 4,-1.0 -3,-0.4 -1,-0.3 0.880 108.2 42.5 -62.5 -33.1 60.3 -4.8 -9.9 84 90 A S H X>S+ 0 0 0 -4,-3.0 5,-2.2 1,-0.2 4,-1.1 0.971 111.1 47.6 -51.3 -55.8 60.8 -13.7 -11.2 89 95 A T H ><5S+ 0 0 36 -4,-3.1 3,-0.7 37,-0.4 -2,-0.2 0.891 111.3 50.2 -56.6 -46.9 61.5 -13.7 -14.9 90 96 A T H 3<5S+ 0 0 32 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.831 115.9 42.4 -60.6 -34.9 65.3 -13.5 -14.4 91 97 A N H <<5S- 0 0 3 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.525 113.2-115.9 -91.1 -8.7 65.3 -16.4 -12.0 92 98 A C T <<5 + 0 0 24 -4,-1.1 64,-0.2 -3,-0.7 -3,-0.2 0.837 59.9 153.8 72.4 42.9 62.8 -18.5 -14.0 93 99 A F < - 0 0 2 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.848 49.4-118.3-105.0 127.8 60.0 -18.5 -11.4 94 100 A P + 0 0 0 0, 0.0 -26,-2.0 0, 0.0 2,-0.3 -0.476 52.9 152.5 -66.2 120.3 56.4 -19.0 -12.6 95 101 A M E -de 68 157B 0 61,-1.7 63,-2.2 -2,-0.3 2,-0.5 -0.985 34.0-157.7-152.2 142.2 54.6 -15.8 -11.6 96 102 A I E -de 69 158B 1 -28,-2.7 -26,-2.4 -2,-0.3 2,-0.7 -0.984 8.3-159.0-118.5 122.4 51.6 -13.7 -12.7 97 103 A L E -de 70 159B 0 61,-2.7 63,-2.5 -2,-0.5 2,-0.5 -0.922 10.5-168.2 -97.8 114.1 51.4 -10.0 -11.7 98 104 A L E +de 71 160B 0 -28,-3.2 -26,-2.1 -2,-0.7 2,-0.4 -0.923 11.9 175.5 -97.6 127.9 47.8 -8.8 -11.9 99 105 A S E -de 72 161B 0 61,-1.7 63,-2.6 -2,-0.5 -26,-0.2 -0.993 29.0-125.8-137.4 132.1 47.3 -5.0 -11.7 100 106 A G E - e 0 162B 0 -28,-2.1 2,-0.3 -2,-0.4 -22,-0.2 -0.323 31.6-164.2 -58.5 148.1 44.4 -2.7 -12.0 101 107 A S E - e 0 163B 4 61,-1.4 63,-2.3 1,-0.2 64,-0.1 -0.904 12.9-112.7-136.8 169.7 44.7 0.1 -14.5 102 108 A S - 0 0 13 13,-0.3 2,-0.6 15,-0.3 62,-0.4 0.340 57.8 -42.2 -89.3-149.1 43.0 3.4 -15.3 103 109 A E >> - 0 0 65 11,-0.2 4,-2.5 1,-0.1 3,-0.9 -0.747 43.0-147.4 -93.3 120.0 40.8 4.6 -18.2 104 110 A R H 3> S+ 0 0 60 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.848 95.7 53.9 -50.0 -45.7 42.1 3.7 -21.7 105 111 A E H 3> S+ 0 0 127 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.831 114.8 37.7 -60.5 -40.4 40.8 6.8 -23.3 106 112 A I H <4>S+ 0 0 17 -3,-0.9 5,-2.1 2,-0.2 4,-0.3 0.904 116.9 49.8 -84.0 -45.7 42.6 9.2 -21.0 107 113 A V H ><5S+ 0 0 8 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.926 109.0 53.3 -54.4 -48.5 45.8 7.2 -20.6 108 114 A D H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.757 113.3 42.5 -65.7 -28.2 46.1 6.9 -24.4 109 115 A L T 3<5S- 0 0 125 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.354 107.8-130.0 -93.4 3.0 45.9 10.6 -24.9 110 116 A Q T < 5 + 0 0 153 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.889 54.3 151.5 52.0 46.6 48.2 11.2 -21.8 111 117 A Q < - 0 0 29 -5,-2.1 -4,-0.1 -6,-0.1 -1,-0.1 0.577 69.7 -90.2 -85.1 -12.6 45.7 13.7 -20.4 112 118 A G - 0 0 18 -6,-0.3 727,-2.1 726,-0.1 728,-0.2 0.818 57.8-178.0 102.8 47.5 46.7 13.0 -16.7 113 119 A D > - 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0 0 11 3,-0.2 3,-1.6 1,-0.2 -1,-0.2 -0.137 43.4 -16.8 75.0-159.3 69.3 -15.7 -6.6 418 424 A T T 3 5S+ 0 0 9 1,-0.3 257,-0.5 -331,-0.1 -1,-0.2 0.811 139.0 38.7 -58.2 -38.4 70.5 -14.7 -10.1 419 425 A W T 3 5S- 0 0 14 -3,-0.4 -1,-0.3 255,-0.1 -2,-0.2 0.452 105.0-122.2 -90.3 -0.8 70.5 -10.9 -9.5 420 426 A G T < 5 - 0 0 20 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.946 42.5-164.2 57.1 48.8 71.8 -11.1 -5.9 421 427 A V > < - 0 0 1 -5,-1.8 2,-0.6 -6,-0.1 3,-0.5 -0.528 20.7-155.5 -74.9 122.0 68.7 -9.2 -4.7 422 428 A M T 3 S+ 0 0 46 -2,-0.4 27,-0.1 1,-0.2 26,-0.0 -0.878 81.1 53.7 -81.2 121.4 68.7 -7.6 -1.3 423 429 A G T 3 S+ 0 0 0 -2,-0.6 4,-0.4 186,-0.0 3,-0.2 0.242 70.9 97.8 137.4 -12.8 64.9 -7.5 -0.4 424 430 A I <> + 0 0 0 -3,-0.5 4,-2.2 1,-0.2 5,-0.2 0.613 59.8 95.3 -82.4 -11.4 63.5 -11.0 -0.9 425 431 A G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 87.0 29.7 -43.7 -72.8 63.7 -11.8 2.8 426 432 A M H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.816 119.8 51.9 -73.9 -30.9 60.3 -11.1 4.4 427 433 A G H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.899 109.2 51.9 -65.6 -40.9 58.2 -11.9 1.3 428 434 A Y H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.890 109.4 50.8 -61.3 -40.2 59.9 -15.2 0.9 429 435 A C H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 5,-0.2 0.938 110.8 47.5 -60.7 -50.3 59.1 -16.0 4.5 430 436 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.922 117.2 42.1 -59.0 -47.5 55.4 -15.1 4.1 431 437 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.922 114.6 49.6 -68.3 -46.5 55.1 -17.2 0.9 432 438 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.4 0.931 114.2 46.8 -56.2 -46.9 57.2 -20.2 2.2 433 439 A A H X S+ 0 0 6 -4,-2.8 4,-1.9 -5,-0.2 5,-0.3 0.948 114.3 47.8 -59.5 -49.3 55.1 -20.2 5.4 434 440 A A H < S+ 0 0 9 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.902 118.8 36.7 -60.9 -44.7 51.8 -19.9 3.3 435 441 A V H < S+ 0 0 29 -4,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.808 122.6 40.7 -85.2 -27.5 52.6 -22.7 0.8 436 442 A T H < S- 0 0 36 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.774 83.5-145.4 -90.3 -30.2 54.4 -25.2 3.0 437 443 A G < + 0 0 70 -4,-1.9 -4,-0.1 -5,-0.4 -3,-0.1 0.757 69.5 97.9 67.2 26.0 52.3 -25.0 6.3 438 444 A K S S- 0 0 85 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.801 81.8 -66.7-139.3 168.4 55.6 -25.5 8.1 439 445 A P - 0 0 36 0, 0.0 -50,-1.9 0, 0.0 2,-0.4 -0.173 38.7-155.2 -63.8 158.6 58.2 -23.4 9.9 440 446 A V E -mo 389 466E 0 25,-2.1 27,-2.7 -52,-0.2 2,-0.4 -0.999 5.8-167.3-132.6 133.6 60.6 -20.9 8.3 441 447 A I E -mo 390 467E 0 -52,-3.1 -50,-2.7 -2,-0.4 2,-0.4 -0.977 7.9-162.1-114.1 135.2 64.0 -19.6 9.5 442 448 A A E -mo 391 468E 0 25,-2.7 27,-3.0 -2,-0.4 2,-0.7 -0.974 9.5-161.3-115.9 130.7 65.6 -16.5 7.9 443 449 A V E -mo 392 469E 0 -52,-2.5 -50,-1.4 -2,-0.4 2,-0.5 -0.921 27.6-175.3-106.2 101.3 69.3 -15.7 8.2 444 450 A E E -mo 393 470E 0 25,-3.1 27,-3.2 -2,-0.7 -50,-0.2 -0.857 29.1-135.9-108.2 127.8 69.4 -12.0 7.3 445 451 A G E > - o 0 471E 9 -52,-2.1 4,-2.8 -2,-0.5 27,-0.1 -0.442 32.9-122.5 -60.8 153.3 72.3 -9.6 6.8 446 452 A D H > S+ 0 0 2 25,-0.8 4,-1.3 29,-0.3 -1,-0.1 0.902 113.4 44.5 -76.5 -39.3 71.2 -6.5 8.6 447 453 A S H >> S+ 0 0 21 28,-0.6 3,-0.8 2,-0.2 4,-0.5 0.969 114.6 50.6 -56.3 -56.3 71.5 -4.3 5.5 448 454 A A H >4 S+ 0 0 2 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.922 108.0 54.1 -45.4 -51.9 69.8 -7.0 3.5 449 455 A F H >X S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 4,-0.9 0.799 95.8 66.5 -56.2 -36.3 67.0 -7.1 6.1 450 456 A G H << S+ 0 0 3 -4,-1.3 -1,-0.3 -3,-0.8 4,-0.3 0.670 87.7 68.0 -61.7 -18.5 66.3 -3.3 5.8 451 457 A F T << S+ 0 0 10 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.717 124.0 10.7 -78.4 -23.6 65.0 -3.7 2.2 452 458 A S T X4 S+ 0 0 2 -3,-1.4 3,-1.9 -4,-0.3 -2,-0.2 0.180 91.7 120.1-132.4 14.0 61.9 -5.7 3.4 453 459 A G G >< + 0 0 0 -4,-0.9 3,-2.2 1,-0.3 4,-0.2 0.803 63.6 67.3 -56.9 -37.2 62.0 -5.2 7.3 454 460 A M G > S+ 0 0 9 1,-0.3 3,-1.2 -4,-0.3 4,-0.3 0.693 84.6 76.6 -58.4 -17.3 58.6 -3.5 7.7 455 461 A E G <> + 0 0 1 -3,-1.9 4,-2.2 1,-0.3 -1,-0.3 0.455 66.1 89.1 -79.2 -0.6 57.0 -6.8 6.6 456 462 A L H <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.909 86.1 55.9 -48.4 -44.7 57.7 -8.1 10.1 457 463 A E H <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.2 -1,-0.2 0.853 105.0 49.7 -58.4 -39.8 54.3 -6.6 10.8 458 464 A T H > S+ 0 0 0 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.906 109.4 51.6 -66.1 -42.7 52.8 -8.7 8.0 459 465 A I H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 -2,-0.2 0.887 114.9 43.0 -60.3 -42.2 54.4 -11.9 9.4 460 466 A C H ><5S+ 0 0 13 -4,-2.4 3,-1.9 3,-0.2 -2,-0.2 0.902 106.9 60.7 -67.5 -44.7 52.9 -11.0 12.8 461 467 A R H 3<5S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.759 112.2 38.7 -57.7 -28.1 49.5 -10.1 11.3 462 468 A Y T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.249 106.9-127.4-105.2 9.7 49.1 -13.6 9.9 463 469 A N T < 5 - 0 0 104 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.893 43.6-179.5 44.9 53.9 50.7 -15.3 13.0 464 470 A L < - 0 0 15 -5,-2.1 2,-2.6 1,-0.1 -1,-0.2 -0.602 38.9-116.2 -90.1 144.5 53.2 -17.2 10.8 465 471 A P + 0 0 35 0, 0.0 -25,-2.1 0, 0.0 2,-0.4 -0.402 65.5 140.7 -77.7 68.0 55.8 -19.7 12.2 466 472 A V E -o 440 0E 0 -2,-2.6 67,-3.0 -27,-0.2 2,-0.5 -0.945 36.6-164.6-117.2 133.9 58.7 -17.6 11.0 467 473 A T E -op 441 533E 2 -27,-2.7 -25,-2.7 -2,-0.4 2,-0.5 -0.943 8.9-159.8-118.6 108.0 62.0 -16.9 12.9 468 474 A V E -op 442 534E 0 65,-2.3 67,-3.7 -2,-0.5 2,-0.6 -0.765 1.8-163.1 -88.7 123.7 64.1 -14.0 11.6 469 475 A I E -op 443 535E 0 -27,-3.0 -25,-3.1 -2,-0.5 2,-0.7 -0.952 6.8-156.1-108.5 113.8 67.8 -14.1 12.6 470 476 A I E -op 444 536E 0 65,-2.7 2,-2.1 -2,-0.6 67,-1.6 -0.853 10.2-147.9 -93.3 116.1 69.4 -10.7 12.1 471 477 A M E -op 445 537E 1 -27,-3.2 2,-1.4 -2,-0.7 -25,-0.8 -0.593 27.2-165.1 -80.5 79.7 73.2 -11.1 11.6 472 478 A N E + p 0 538E 0 -2,-2.1 67,-1.7 65,-2.0 -27,-0.1 -0.562 35.7 142.7 -83.9 89.6 73.6 -7.7 13.4 473 479 A N - 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