==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE,HYDROLASE 06-NOV-98 1B0A . COMPND 2 MOLECULE: PROTEIN (FOLD BIFUNCTIONAL PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR B.W.SHEN,D.DYER,J.-Y.HUANG,L.D'ARI,J.RABINOWITZ,B.L.STODDARD . 287 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 1 0.3 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 . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.1 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 1 0 2 1 1 0 0 2 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 3 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A A 0 0 125 0, 0.0 249,-0.2 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 78.3 12.8 21.9 4.1 2 3 A A - 0 0 24 247,-2.0 2,-0.3 1,-0.1 252,-0.3 -0.164 360.0-122.7 -60.4 147.8 12.0 20.6 7.6 3 4 A K E -a 254 0A 112 250,-2.0 252,-2.0 1,-0.0 2,-0.4 -0.726 31.0-116.1 -89.8 140.1 11.2 23.0 10.4 4 5 A I E -a 255 0A 79 -2,-0.3 2,-1.1 250,-0.2 252,-0.2 -0.681 12.3-148.0 -86.2 129.9 13.5 22.6 13.5 5 6 A I - 0 0 2 250,-2.5 2,-1.7 -2,-0.4 3,-0.1 -0.782 17.0-153.2 -95.3 88.5 11.9 21.4 16.8 6 7 A D > + 0 0 60 -2,-1.1 4,-2.2 1,-0.2 5,-0.2 -0.459 22.5 172.5 -66.0 85.1 14.2 23.3 19.2 7 8 A G H > S+ 0 0 0 -2,-1.7 4,-1.9 253,-1.0 254,-0.3 0.776 75.2 61.8 -67.4 -24.5 14.0 21.0 22.2 8 9 A K H > S+ 0 0 142 252,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.949 109.5 38.2 -66.2 -48.8 16.7 23.0 23.8 9 10 A T H >> S+ 0 0 56 251,-0.2 4,-2.4 2,-0.2 3,-0.5 0.937 114.4 52.7 -67.8 -51.7 14.7 26.3 23.8 10 11 A I H 3X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.916 109.7 50.6 -51.0 -46.0 11.3 24.7 24.6 11 12 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.809 107.6 54.0 -62.1 -32.3 13.0 22.9 27.7 12 13 A Q H X S+ 0 0 17 -4,-1.3 4,-2.2 2,-0.2 3,-0.9 0.973 105.4 47.7 -65.7 -55.2 10.7 28.8 38.3 20 21 A Q H 3X S+ 0 0 112 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.908 110.1 52.6 -50.3 -49.4 8.0 31.4 38.4 21 22 A K H 3X S+ 0 0 113 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.754 109.6 49.5 -62.7 -25.3 5.5 29.0 40.1 22 23 A V H <>S+ 0 0 18 -4,-1.4 5,-2.9 1,-0.2 3,-0.8 0.916 112.3 44.0 -58.6 -50.8 4.9 29.8 46.4 26 27 A I H ><5S+ 0 0 97 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.899 109.7 56.9 -63.0 -41.3 7.7 31.1 48.5 27 28 A A H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.653 107.1 50.4 -64.1 -19.1 6.4 34.7 48.2 28 29 A A T <<5S- 0 0 76 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.246 126.9 -99.2-101.9 7.1 3.1 33.5 49.7 29 30 A G T < 5S+ 0 0 71 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.621 80.7 133.3 85.3 16.3 4.7 31.7 52.6 30 31 A L < - 0 0 43 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.730 58.1-107.8-102.0 147.7 4.7 28.2 51.1 31 32 A R - 0 0 73 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.162 34.7-113.2 -66.2 161.8 7.6 25.7 51.0 32 33 A A - 0 0 12 1,-0.1 30,-0.1 -7,-0.1 -1,-0.1 -0.593 40.1 -86.9 -94.0 159.7 9.3 25.0 47.7 33 34 A P - 0 0 0 0, 0.0 30,-2.4 0, 0.0 2,-0.5 -0.397 43.7-146.1 -63.9 143.6 9.1 21.6 45.9 34 35 A G E -f 63 0B 0 56,-0.3 58,-2.9 28,-0.2 59,-1.9 -0.957 12.6-168.3-121.5 120.9 11.8 19.1 47.1 35 36 A L E -fg 64 93B 1 28,-1.7 30,-2.0 -2,-0.5 2,-0.5 -0.861 7.0-155.8-105.8 139.6 13.5 16.5 45.0 36 37 A A E - g 0 94B 0 57,-1.9 59,-3.0 -2,-0.4 2,-0.6 -0.955 6.9-165.4-116.2 113.6 15.6 13.6 46.4 37 38 A V E - g 0 95B 4 -2,-0.5 30,-2.3 28,-0.4 2,-0.7 -0.887 2.1-163.2-102.6 120.8 18.2 12.1 44.0 38 39 A V E +hg 67 96B 1 57,-2.9 59,-0.8 -2,-0.6 2,-0.6 -0.846 9.1 180.0-109.0 99.6 19.7 8.8 45.1 39 40 A L E -h 68 0B 13 28,-2.0 30,-2.4 -2,-0.7 2,-0.4 -0.873 4.5-173.1-101.1 116.7 23.0 7.9 43.3 40 41 A V E +h 69 0B 7 -2,-0.6 3,-0.3 57,-0.4 31,-0.2 -0.916 53.1 2.3-110.6 133.1 24.5 4.5 44.4 41 42 A G S S- 0 0 15 28,-1.7 28,-0.1 -2,-0.4 31,-0.0 -0.423 87.4 -84.2 91.2-168.0 27.9 3.5 43.1 42 43 A S + 0 0 88 -2,-0.1 -1,-0.1 26,-0.0 26,-0.0 -0.144 53.7 157.8-138.0 44.0 30.3 5.4 40.9 43 44 A N > - 0 0 66 -3,-0.3 4,-1.9 56,-0.2 3,-0.1 -0.575 38.1-141.9 -70.4 120.3 29.3 4.9 37.2 44 45 A P H > S+ 0 0 91 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.782 100.7 51.8 -53.1 -35.2 30.7 7.9 35.3 45 46 A A H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.930 108.2 50.8 -69.2 -46.3 27.7 8.1 33.1 46 47 A S H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.862 105.2 59.2 -58.7 -36.8 25.3 8.1 36.1 47 48 A Q H X S+ 0 0 88 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.898 105.7 46.0 -59.9 -44.7 27.4 10.9 37.6 48 49 A I H X S+ 0 0 124 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.787 115.3 49.3 -68.9 -30.0 26.8 13.3 34.6 49 50 A Y H X S+ 0 0 128 -4,-1.5 4,-1.7 2,-0.2 3,-0.3 0.979 112.1 44.3 -70.8 -60.3 23.1 12.3 34.7 50 51 A V H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.739 114.7 52.1 -55.9 -29.5 22.5 12.9 38.4 51 52 A A H X S+ 0 0 56 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.863 108.1 49.4 -76.9 -39.4 24.5 16.2 38.2 52 53 A S H X S+ 0 0 60 -4,-1.4 4,-1.5 -3,-0.3 -2,-0.2 0.775 113.7 46.8 -69.4 -30.4 22.5 17.5 35.3 53 54 A K H X S+ 0 0 32 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.889 111.6 50.5 -76.7 -42.7 19.3 16.7 37.2 54 55 A R H X S+ 0 0 38 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.744 110.4 51.8 -66.2 -26.1 20.6 18.3 40.4 55 56 A K H X S+ 0 0 146 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.941 110.0 44.2 -76.1 -52.7 21.5 21.5 38.5 56 57 A A H X S+ 0 0 6 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.910 112.8 57.0 -57.0 -42.2 18.2 22.1 36.7 57 58 A C H X>S+ 0 0 1 -4,-2.1 5,-1.9 1,-0.2 4,-0.7 0.912 110.1 40.4 -55.8 -50.0 16.6 21.4 40.1 58 59 A E H <5S+ 0 0 138 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.760 110.5 62.0 -73.0 -21.9 18.6 24.1 42.0 59 60 A E H <5S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 105.6 44.3 -72.6 -31.4 18.1 26.4 39.0 60 61 A V H <5S- 0 0 6 -4,-1.5 -1,-0.2 -3,-0.4 -38,-0.2 0.567 122.1-103.2 -90.8 -9.5 14.3 26.3 39.3 61 62 A G T <5 + 0 0 33 -4,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.561 68.3 146.1 102.4 9.0 14.4 26.8 43.1 62 63 A F < - 0 0 12 -5,-1.9 2,-0.5 -30,-0.1 -28,-0.2 -0.240 55.0-105.9 -72.3 167.3 13.6 23.3 44.4 63 64 A V E -f 34 0B 60 -30,-2.4 -28,-1.7 27,-0.2 2,-0.5 -0.845 33.5-141.1 -96.4 123.9 15.2 21.9 47.6 64 65 A S E +f 35 0B 42 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.807 21.9 179.4 -92.5 126.0 17.9 19.4 46.9 65 66 A R - 0 0 74 -30,-2.0 -28,-0.4 -2,-0.5 2,-0.2 -0.732 20.2-175.0-122.0 75.2 18.1 16.4 49.1 66 67 A S - 0 0 53 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.518 13.3-170.2 -80.4 141.3 21.1 14.5 47.5 67 68 A Y E -h 38 0B 57 -30,-2.3 -28,-2.0 -2,-0.2 2,-0.8 -0.922 4.6-175.8-133.8 104.9 22.3 11.1 48.6 68 69 A D E -h 39 0B 102 -2,-0.4 -28,-0.2 -30,-0.2 -30,-0.1 -0.888 20.1-177.2-102.9 100.3 25.5 9.7 47.2 69 70 A L E -h 40 0B 48 -30,-2.4 -28,-1.7 -2,-0.8 2,-0.0 -0.610 27.0 -99.7 -99.5 159.7 25.8 6.2 48.6 70 71 A P > - 0 0 64 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.327 28.1-117.1 -72.6 160.0 28.6 3.6 48.2 71 72 A E T 3 S+ 0 0 139 1,-0.2 -31,-0.1 -31,-0.2 -2,-0.0 0.589 112.6 64.1 -72.4 -8.4 28.3 0.7 45.8 72 73 A T T 3 + 0 0 125 2,-0.0 -1,-0.2 -31,-0.0 -32,-0.0 0.738 68.9 123.7 -87.8 -26.7 28.4 -1.5 48.8 73 74 A T < - 0 0 17 -3,-0.8 2,-0.0 1,-0.1 -4,-0.0 -0.012 61.0-121.6 -40.9 132.1 25.1 -0.4 50.5 74 75 A S > - 0 0 52 1,-0.1 4,-2.1 30,-0.0 3,-0.2 -0.269 15.3-113.1 -76.3 166.2 22.7 -3.4 51.0 75 76 A E H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 118.7 54.4 -66.4 -37.9 19.2 -3.8 49.7 76 77 A A H > S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.772 111.0 46.8 -66.9 -27.8 17.7 -3.5 53.2 77 78 A E H > S+ 0 0 100 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.843 111.3 49.6 -79.3 -40.9 19.6 -0.2 53.6 78 79 A L H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.869 114.7 45.2 -66.7 -37.0 18.5 1.1 50.2 79 80 A L H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.903 108.8 56.4 -71.9 -42.5 14.9 0.2 51.0 80 81 A E H X S+ 0 0 132 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.877 106.6 50.9 -56.5 -40.4 15.1 1.7 54.6 81 82 A L H X S+ 0 0 28 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.893 109.6 50.1 -65.2 -42.1 16.2 5.0 53.0 82 83 A I H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.901 107.0 52.7 -64.7 -42.8 13.2 5.0 50.7 83 84 A D H X S+ 0 0 67 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.904 113.0 46.6 -57.0 -44.1 10.7 4.2 53.5 84 85 A T H < S+ 0 0 88 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.834 111.7 50.6 -66.4 -37.3 12.1 7.2 55.3 85 86 A L H >< S+ 0 0 2 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.822 107.0 53.9 -71.9 -32.3 12.0 9.3 52.1 86 87 A N H 3< S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 107.2 52.6 -68.3 -36.1 8.3 8.4 51.5 87 88 A A T 3< S+ 0 0 77 -4,-1.5 2,-0.7 -5,-0.2 -1,-0.2 0.329 86.5 99.8 -82.8 5.6 7.5 9.6 55.0 88 89 A D X - 0 0 36 -3,-0.9 3,-1.2 1,-0.1 -4,-0.0 -0.855 57.3-160.2-101.7 113.8 9.2 13.1 54.6 89 90 A N T 3 S+ 0 0 135 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.514 89.7 61.7 -67.4 -8.7 6.7 15.9 53.8 90 91 A T T 3 S+ 0 0 50 -57,-0.1 2,-0.5 1,-0.0 -56,-0.3 0.736 91.5 77.6 -86.7 -29.0 9.5 18.1 52.4 91 92 A I < + 0 0 0 -3,-1.2 -56,-0.2 -6,-0.2 3,-0.1 -0.762 46.0 165.8 -88.6 121.5 10.2 15.6 49.7 92 93 A D + 0 0 0 -58,-2.9 2,-0.3 -2,-0.5 -57,-0.2 0.702 67.6 37.5-102.1 -31.3 7.8 15.5 46.7 93 94 A G E -g 35 0B 0 -59,-1.9 -57,-1.9 25,-0.1 2,-0.4 -0.933 57.7-163.7-128.6 149.4 9.9 13.5 44.4 94 95 A I E -g 36 0B 2 23,-2.1 2,-0.6 -2,-0.3 26,-0.4 -0.974 7.7-177.1-132.1 116.6 12.3 10.5 44.6 95 96 A L E -g 37 0B 6 -59,-3.0 -57,-2.9 -2,-0.4 2,-0.9 -0.930 5.2-170.3-119.8 105.0 14.7 9.7 41.8 96 97 A V E -g 38 0B 6 -2,-0.6 -57,-0.2 -59,-0.2 -59,-0.1 -0.841 27.2-132.6 -95.7 99.0 16.9 6.6 42.3 97 98 A Q - 0 0 19 -2,-0.9 -57,-0.4 -59,-0.8 -51,-0.1 -0.200 29.6-105.8 -56.2 137.0 19.4 6.7 39.4 98 99 A L S S+ 0 0 51 -59,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.830 87.6 58.7-114.3 155.0 20.1 3.6 37.3 99 100 A P S S- 0 0 83 0, 0.0 -56,-0.2 0, 0.0 -59,-0.2 0.415 71.8-167.6 -69.2 150.8 22.0 1.3 36.8 100 101 A L - 0 0 13 -2,-0.1 3,-0.1 1,-0.1 4,-0.1 -0.729 37.8 -71.4-107.0 154.5 21.9 0.1 40.4 101 102 A P > - 0 0 23 0, 0.0 3,-1.6 0, 0.0 2,-0.4 -0.161 52.5-112.1 -48.2 132.2 24.4 -2.5 41.8 102 103 A A T 3 S+ 0 0 108 1,-0.2 3,-0.1 -3,-0.1 0, 0.0 -0.573 105.5 47.5 -70.6 122.5 23.8 -6.0 40.5 103 104 A G T 3 S+ 0 0 78 1,-0.5 2,-0.5 -2,-0.4 -1,-0.2 0.114 87.7 103.0 129.2 -15.7 22.6 -8.2 43.3 104 105 A I S < S- 0 0 24 -3,-1.6 2,-0.8 -4,-0.1 -1,-0.5 -0.874 84.8-112.8 -99.3 125.7 20.0 -5.6 44.4 105 106 A D > - 0 0 73 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 -0.472 30.5-161.7 -60.5 102.7 16.4 -6.5 43.4 106 107 A N H > S+ 0 0 59 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.878 84.9 41.2 -56.8 -44.0 15.8 -3.6 41.0 107 108 A V H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.922 109.8 56.4 -74.8 -41.7 12.0 -3.9 41.0 108 109 A K H 4 S+ 0 0 88 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.898 113.9 43.2 -56.8 -37.4 11.6 -4.4 44.7 109 110 A V H >< S+ 0 0 0 -4,-1.8 3,-1.1 2,-0.2 4,-0.4 0.967 115.3 44.4 -74.4 -54.3 13.5 -1.2 45.3 110 111 A L H >< S+ 0 0 32 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.885 113.3 51.4 -59.3 -40.7 11.9 1.0 42.6 111 112 A E T 3< S+ 0 0 97 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.586 93.4 74.4 -73.3 -12.4 8.4 -0.1 43.5 112 113 A R T < S+ 0 0 93 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.3 0.666 77.4 94.7 -72.4 -18.7 9.0 0.7 47.1 113 114 A I S < S- 0 0 5 -3,-1.3 5,-0.1 -4,-0.4 -30,-0.1 -0.568 90.7-109.8 -74.8 134.2 8.7 4.4 46.2 114 115 A H >> - 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0 0 20 23,-1.9 25,-0.2 -2,-1.0 -1,-0.2 -0.102 61.1-157.8 168.7 -68.5 11.1 0.7 19.8 166 167 A A + 0 0 14 1,-0.2 2,-0.2 -3,-0.2 23,-0.1 0.719 41.3 149.7 64.8 28.1 8.7 -1.0 22.2 167 168 A S > - 0 0 40 41,-0.1 5,-2.4 1,-0.1 -1,-0.2 -0.502 57.6-119.9 -90.2 161.5 10.8 -0.5 25.3 168 169 A N T 5S+ 0 0 130 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.809 113.1 44.8 -66.5 -32.7 9.6 -0.1 28.9 169 170 A I T 5S- 0 0 105 3,-0.1 -28,-0.3 4,-0.1 -1,-0.2 0.753 136.4 -5.8 -85.2 -27.9 11.3 3.3 29.2 170 171 A V T >5S+ 0 0 10 -29,-0.1 4,-2.4 38,-0.1 5,-0.2 0.574 122.6 50.1-129.1 -71.2 10.2 4.8 25.8 171 172 A G H >5S+ 0 0 0 37,-0.2 4,-1.9 1,-0.2 -3,-0.2 0.865 111.9 42.8 -42.8 -61.9 8.3 2.8 23.2 172 173 A R H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.830 109.6 63.7 -69.6 -23.3 4.6 4.3 27.3 174 175 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.925 102.7 48.0 -63.7 -41.1 5.0 6.3 24.1 175 176 A S H X S+ 0 0 14 -4,-1.9 4,-2.1 -3,-0.2 5,-0.2 0.940 111.4 48.4 -64.2 -49.0 2.2 4.4 22.5 176 177 A M H X S+ 0 0 61 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.906 112.7 50.2 -57.5 -40.7 -0.2 4.9 25.5 177 178 A E H < S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.838 110.1 49.6 -69.0 -33.6 0.7 8.6 25.5 178 179 A L H <>S+ 0 0 1 -4,-1.9 5,-2.2 2,-0.2 3,-0.4 0.808 107.7 52.9 -77.0 -30.9 0.0 8.9 21.7 179 180 A L H ><5S+ 0 0 86 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.897 103.7 56.8 -68.8 -39.9 -3.4 7.2 22.0 180 181 A L T 3<5S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.674 107.4 51.6 -63.3 -15.5 -4.4 9.6 24.7 181 182 A A T 3 5S- 0 0 14 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.353 124.5-104.1-102.1 0.4 -3.6 12.3 22.1 182 183 A G T < 5S+ 0 0 24 -3,-2.1 -24,-3.3 1,-0.3 2,-0.3 0.721 70.9 141.4 85.3 24.8 -5.8 10.7 19.4 183 184 A C < - 0 0 4 -5,-2.2 2,-1.1 -26,-0.2 -1,-0.3 -0.727 58.7-120.0 -99.5 147.4 -3.2 9.0 17.2 184 185 A T E -b 160 0A 91 -25,-2.7 -23,-1.6 -2,-0.3 2,-0.2 -0.767 44.7-150.5 -82.9 103.3 -3.6 5.7 15.5 185 186 A T E -b 161 0A 30 -2,-1.1 2,-0.4 -25,-0.2 -23,-0.2 -0.571 23.6-178.2 -86.1 142.3 -0.6 4.0 17.1 186 187 A T E -b 162 0A 43 -25,-1.2 -23,-2.8 -2,-0.2 2,-0.5 -0.995 11.0-158.8-135.5 125.0 1.6 1.3 15.7 187 188 A V E -b 163 0A 50 -2,-0.4 2,-0.2 -25,-0.2 -23,-0.2 -0.946 10.2-172.4-112.9 119.4 4.4 -0.2 17.8 188 189 A T E +b 164 0A 2 -25,-2.3 -23,-1.9 -2,-0.5 2,-0.2 -0.612 12.1 156.1-104.4 164.1 7.3 -2.0 16.1 189 190 A H - 0 0 92 -2,-0.2 3,-0.3 -25,-0.2 -23,-0.1 -0.663 60.2 -52.6-155.5-146.4 10.3 -3.9 17.5 190 191 A R S S+ 0 0 214 1,-0.2 -24,-0.0 -2,-0.2 -2,-0.0 0.796 127.2 54.7 -80.1 -30.6 12.7 -6.7 16.5 191 192 A F S S+ 0 0 139 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.576 80.8 124.2 -78.5 -8.3 10.1 -9.3 15.3 192 193 A T - 0 0 38 -3,-0.3 2,-0.4 1,-0.1 3,-0.3 -0.268 52.3-148.9 -57.4 129.1 8.6 -6.7 13.0 193 194 A K S S+ 0 0 183 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.866 75.2 6.2-102.1 135.3 8.5 -7.8 9.4 194 195 A N >> + 0 0 111 -2,-0.4 4,-1.0 3,-0.1 3,-0.7 0.973 67.6 177.0 57.2 63.0 8.8 -5.2 6.7 195 196 A L H 3> S+ 0 0 30 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.829 75.3 65.9 -62.9 -34.1 9.5 -2.2 8.9 196 197 A R H 3> S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 96.8 57.1 -57.3 -35.8 9.9 -0.0 5.8 197 198 A H H <> S+ 0 0 89 -3,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.948 106.8 45.0 -61.4 -53.6 6.2 -0.6 5.1 198 199 A H H >X S+ 0 0 65 -4,-1.0 4,-0.8 1,-0.2 3,-0.8 0.880 114.1 49.5 -59.2 -41.2 4.9 0.8 8.4 199 200 A V H 3< S+ 0 0 1 -4,-1.9 22,-0.6 1,-0.2 3,-0.4 0.839 98.0 71.6 -67.6 -31.9 7.3 3.8 8.3 200 201 A E H 3< S+ 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.755 107.5 31.9 -55.1 -32.5 6.1 4.5 4.7 201 202 A N H << S+ 0 0 67 -3,-0.8 -1,-0.2 -4,-0.7 -41,-0.2 0.559 88.3 120.8-104.4 -14.7 2.7 5.8 5.8 202 203 A A < - 0 0 1 -4,-0.8 19,-0.4 -3,-0.4 -41,-0.2 -0.312 39.6-171.1 -59.1 128.0 3.4 7.3 9.2 203 204 A D S S+ 0 0 51 -43,-2.8 22,-1.3 1,-0.3 2,-0.4 0.671 83.8 36.7 -88.0 -24.6 2.6 11.0 9.6 204 205 A L E S-cd 161 225A 0 -44,-1.5 -42,-2.2 20,-0.2 2,-0.4 -0.992 76.0-165.8-133.1 120.8 4.4 11.0 13.0 205 206 A L E -cd 162 226A 2 20,-3.3 22,-1.1 -2,-0.4 2,-0.3 -0.861 9.2-176.4-110.7 144.6 7.6 9.0 13.5 206 207 A I E -cd 163 227A 0 -44,-1.4 -42,-1.6 -2,-0.4 2,-0.5 -0.812 10.8-166.3-142.5 96.1 9.2 8.3 16.9 207 208 A V E +cd 164 228A 0 20,-1.9 22,-2.3 -2,-0.3 23,-0.6 -0.747 21.9 154.2 -91.8 128.7 12.5 6.4 16.7 208 209 A A + 0 0 20 -44,-2.5 -37,-0.2 -2,-0.5 -41,-0.1 -0.329 31.6 113.8-148.7 58.3 14.1 4.7 19.8 209 210 A V S S- 0 0 52 2,-0.2 -44,-0.1 -43,-0.0 -1,-0.1 0.719 70.9-128.0-100.6 -25.8 16.4 1.8 18.8 210 211 A G + 0 0 42 1,-0.2 -2,-0.0 -3,-0.0 31,-0.0 0.815 67.8 120.4 80.5 32.7 19.8 3.1 19.9 211 212 A K > - 0 0 127 21,-0.0 3,-1.7 4,-0.0 4,-0.2 -0.978 65.6-117.5-132.9 118.5 21.5 2.5 16.6 212 213 A P T 3 S- 0 0 64 0, 0.0 30,-0.3 0, 0.0 32,-0.1 -0.241 93.5 -5.3 -55.9 133.0 23.1 5.3 14.5 213 214 A G T 3 S+ 0 0 33 28,-1.9 30,-0.2 30,-0.3 31,-0.2 0.653 86.4 144.1 54.2 21.0 21.6 5.9 11.1 214 215 A F < + 0 0 83 -3,-1.7 29,-0.2 1,-0.1 -1,-0.1 0.814 65.1 50.7 -57.3 -36.3 19.3 2.8 11.6 215 216 A I B S-i 243 0C 0 27,-2.4 29,-1.5 -4,-0.2 2,-0.2 -0.930 88.1-139.1-109.3 111.2 16.5 4.5 9.7 216 217 A P >> - 0 0 42 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.510 16.5-126.4 -69.3 138.3 17.5 5.9 6.4 217 218 A G T 34 S+ 0 0 0 1,-0.3 34,-0.1 -2,-0.2 3,-0.1 0.624 106.8 76.3 -59.1 -11.1 16.0 9.3 5.6 218 219 A D T 34 S+ 0 0 89 1,-0.2 -1,-0.3 33,-0.0 -3,-0.0 0.891 90.3 52.5 -64.6 -42.3 14.9 7.6 2.4 219 220 A W T <4 S+ 0 0 63 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.725 82.3 108.7 -68.9 -29.5 12.1 5.7 4.3 220 221 A I S < S- 0 0 0 -4,-0.6 2,-0.4 -3,-0.1 -20,-0.1 -0.266 75.2-116.9 -57.5 132.2 10.5 8.8 5.9 221 222 A K > - 0 0 70 -22,-0.6 3,-2.9 -19,-0.4 2,-0.1 -0.583 38.1-101.4 -72.5 126.7 7.1 9.8 4.4 222 223 A E T 3 S+ 0 0 129 -2,-0.4 30,-0.2 1,-0.3 -1,-0.1 -0.293 110.8 20.3 -53.3 114.4 7.2 13.2 2.8 223 224 A G T 3 S+ 0 0 39 28,-1.0 -1,-0.3 1,-0.3 30,-0.2 0.177 93.7 140.6 109.3 -12.5 5.7 15.7 5.3 224 225 A A < - 0 0 3 -3,-2.9 29,-2.5 -22,-0.1 30,-1.2 0.028 54.0-119.7 -60.5 164.4 6.2 13.4 8.4 225 226 A I E -de 204 254A 12 -22,-1.3 -20,-3.3 27,-0.2 2,-0.5 -0.946 27.2-154.1-110.5 110.9 7.2 14.6 11.8 226 227 A V E -de 205 255A 0 28,-2.3 30,-1.3 -2,-0.6 2,-0.6 -0.763 13.5-176.1 -95.4 127.0 10.4 13.0 13.0 227 228 A I E -d 206 0A 0 -22,-1.1 -20,-1.9 -2,-0.5 2,-0.7 -0.945 8.6-166.3-119.6 101.2 11.2 12.5 16.7 228 229 A D E +d 207 0A 8 -2,-0.6 34,-0.6 -22,-0.2 -20,-0.1 -0.851 16.4 170.5 -95.3 112.9 14.6 11.1 17.2 229 230 A V + 0 0 26 -22,-2.3 -21,-0.2 -2,-0.7 -1,-0.2 0.605 47.2 106.1 -92.2 -18.5 15.1 9.9 20.7 230 231 A G - 0 0 6 -23,-0.6 2,-0.3 -19,-0.1 13,-0.1 -0.336 45.3-174.3 -69.7 141.8 18.4 8.1 19.9 231 232 A I + 0 0 83 10,-0.2 2,-0.6 -2,-0.1 10,-0.2 -0.835 9.3 175.9-138.2 94.4 21.8 9.6 21.1 232 233 A N E -J 240 0D 26 8,-3.1 8,-2.4 -2,-0.3 2,-1.1 -0.911 18.7-154.0-107.6 113.2 24.7 7.6 19.7 233 234 A R E -J 239 0D 190 -2,-0.6 6,-0.2 6,-0.2 5,-0.1 -0.741 19.2-148.2 -89.6 98.6 28.2 8.9 20.4 234 235 A L > - 0 0 60 4,-2.3 3,-1.6 -2,-1.1 -1,-0.0 -0.189 23.2-111.2 -60.9 156.3 30.4 7.7 17.6 235 236 A E T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.586 114.2 66.8 -68.5 -9.6 34.1 6.8 18.2 236 237 A N T 3 S- 0 0 107 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.232 122.7-101.7 -91.9 8.7 35.2 9.8 16.1 237 238 A G S < S+ 0 0 64 -3,-1.6 -2,-0.1 1,-0.3 2,-0.1 0.122 82.4 127.9 94.1 -20.7 33.7 12.2 18.7 238 239 A K - 0 0 136 -5,-0.1 -4,-2.3 1,-0.0 2,-0.5 -0.410 49.3-144.7 -75.4 145.4 30.5 12.9 16.8 239 240 A V E +J 233 0D 40 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.948 28.1 165.2-111.8 119.3 27.0 12.6 18.2 240 241 A V E -J 232 0D 49 -8,-2.4 -8,-3.1 -2,-0.5 2,-0.1 -0.863 27.1-121.9-130.0 164.8 24.2 11.4 15.9 241 242 A G - 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0 0 4 -4,-2.5 -27,-0.2 -30,-0.2 3,-0.1 0.174 62.4-149.0 -53.7 168.2 10.1 15.8 6.7 253 254 A S S S+ 0 0 45 -29,-2.5 -250,-2.0 1,-0.5 2,-0.3 0.623 87.6 13.9-109.4 -31.6 8.1 18.8 7.7 254 255 A Y E S+ae 3 225A 53 -30,-1.2 -28,-2.3 -252,-0.3 -1,-0.5 -0.981 72.0 174.9-144.4 145.9 9.3 19.0 11.3 255 256 A I E -ae 4 226A 3 -252,-2.0 -250,-2.5 -2,-0.3 -28,-0.2 -0.993 28.0-124.4-157.3 146.2 12.3 17.2 12.9 256 257 A T - 0 0 2 -30,-1.3 -28,-0.2 -2,-0.3 5,-0.2 -0.825 29.2-135.3 -94.6 130.3 14.2 17.0 16.2 257 258 A P - 0 0 27 0, 0.0 5,-0.3 0, 0.0 4,-0.2 -0.375 24.5-102.8 -79.9 159.4 18.0 17.7 16.1 258 259 A V S S+ 0 0 37 2,-0.2 -17,-0.2 3,-0.1 2,-0.1 -0.965 102.3 17.5-133.2 116.0 20.6 15.6 17.9 259 260 A P S S+ 0 0 84 0, 0.0 -251,-0.1 0, 0.0 -252,-0.1 0.596 127.9 39.5 -84.1-170.3 21.6 16.8 20.3 260 261 A G S S+ 0 0 20 -2,-0.1 -252,-1.4 -253,-0.1 -253,-1.0 0.699 98.9 80.2 87.1 21.2 19.2 19.5 21.5 261 262 A G S S- 0 0 1 -254,-0.3 4,-0.2 -255,-0.2 -3,-0.1 0.519 105.5 -5.4-116.9 -94.0 15.9 17.8 20.7 262 263 A V S >> S+ 0 0 6 -34,-0.6 3,-1.6 -5,-0.3 4,-1.1 0.863 120.1 71.1 -76.1 -39.7 14.4 15.2 23.0 263 264 A G H >> S+ 0 0 29 1,-0.3 3,-1.0 2,-0.2 4,-0.8 0.877 97.4 46.9 -44.6 -57.3 17.3 14.9 25.5 264 265 A P H 3> S+ 0 0 33 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.633 107.6 61.1 -64.3 -13.8 16.8 18.3 27.1 265 266 A M H <> S+ 0 0 0 -3,-1.6 4,-2.3 -4,-0.2 -2,-0.2 0.748 93.2 62.2 -83.2 -27.4 13.0 17.6 27.4 266 267 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.8 0.977 111.7 51.3 -61.0 -50.0 11.3 19.0 37.0 272 273 A E H 3X S+ 0 0 41 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.866 109.1 49.6 -54.1 -46.6 7.7 19.6 35.8 273 274 A N H 3X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.737 106.5 56.3 -65.8 -30.6 6.5 16.4 37.5 274 275 A T H X S+ 0 0 14 -4,-2.0 4,-2.7 1,-0.2 3,-0.9 0.971 112.1 52.0 -61.7 -51.0 6.2 20.6 40.7 276 277 A Q H 3X>S+ 0 0 47 -4,-2.6 4,-1.9 1,-0.3 5,-0.6 0.828 106.5 52.8 -54.3 -39.3 3.1 18.6 39.9 277 278 A A H 3X>S+ 0 0 0 -4,-1.9 5,-2.0 3,-0.2 4,-0.8 0.817 115.0 42.2 -68.6 -30.3 3.6 16.2 42.8 278 279 A C H <<>S+ 0 0 0 -4,-1.4 5,-2.5 -3,-0.9 -2,-0.2 0.953 116.9 44.0 -77.6 -57.6 3.9 19.1 45.2 279 280 A V H <5S+ 0 0 65 -4,-2.7 6,-0.4 1,-0.2 -2,-0.2 0.786 129.8 23.9 -59.7 -33.2 1.1 21.4 43.9 280 281 A E H <5S+ 0 0 111 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.825 131.5 23.4-105.7 -39.9 -1.4 18.5 43.6 281 282 A Y T <