==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-05 2C2Y . COMPND 2 MOLECULE: METHYLENETETRAHYDROFOLATE DEHYDROGENASE- . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.JAVID-MAJD,J.C.SACCHETTINI, . 280 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 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 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 G 0 0 96 0, 0.0 248,-0.2 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 141.2 -13.7 -10.8 9.3 2 3 A A - 0 0 14 246,-2.8 251,-0.3 1,-0.1 2,-0.2 -0.274 360.0-101.6 -66.5 148.8 -15.4 -8.3 11.6 3 4 A I E -a 253 0A 93 249,-2.8 251,-2.5 1,-0.1 2,-0.5 -0.546 40.1-119.1 -67.9 135.3 -19.2 -8.2 12.2 4 5 A M E -a 254 0A 90 -2,-0.2 2,-1.3 249,-0.2 251,-0.2 -0.682 13.3-141.4 -82.2 119.6 -20.7 -5.4 10.1 5 6 A L - 0 0 0 249,-2.8 2,-1.1 -2,-0.5 -1,-0.1 -0.701 21.8-151.0 -82.6 96.7 -22.5 -2.8 12.2 6 7 A D > + 0 0 48 -2,-1.3 4,-1.6 1,-0.2 254,-0.2 -0.557 23.6 174.1 -80.8 97.2 -25.4 -2.2 9.9 7 8 A G H > S+ 0 0 0 252,-1.4 4,-2.9 -2,-1.1 253,-0.2 0.824 75.8 55.9 -72.9 -33.9 -26.5 1.4 10.4 8 9 A K H > S+ 0 0 105 251,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.929 110.2 44.8 -64.6 -46.4 -29.1 1.5 7.6 9 10 A A H > S+ 0 0 48 2,-0.2 4,-1.7 250,-0.2 -1,-0.2 0.877 114.9 49.7 -64.9 -38.5 -31.0 -1.5 9.0 10 11 A T H X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.913 110.6 49.6 -65.7 -43.4 -30.7 -0.0 12.5 11 12 A R H X S+ 0 0 56 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.911 108.4 53.0 -60.4 -43.5 -32.1 3.3 11.2 12 13 A D H X S+ 0 0 90 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.874 106.9 53.2 -61.0 -38.2 -35.0 1.6 9.4 13 14 A E H X S+ 0 0 90 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.898 110.2 47.0 -61.0 -43.8 -35.8 -0.1 12.7 14 15 A I H X S+ 0 0 13 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.936 108.4 55.2 -65.8 -46.2 -35.9 3.3 14.5 15 16 A F H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.905 106.8 51.2 -50.7 -45.7 -38.0 4.9 11.7 16 17 A G H X S+ 0 0 34 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.894 111.6 46.7 -63.0 -41.5 -40.7 2.1 12.2 17 18 A D H X S+ 0 0 69 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.942 113.2 49.8 -61.3 -47.0 -40.8 2.8 15.9 18 19 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.872 105.2 56.8 -61.5 -40.8 -41.0 6.6 15.3 19 20 A K H X S+ 0 0 129 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.887 110.2 44.6 -60.1 -41.2 -43.9 6.2 12.8 20 21 A Q H X S+ 0 0 139 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.897 114.3 48.9 -67.1 -43.8 -46.0 4.4 15.4 21 22 A R H X S+ 0 0 57 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.800 111.8 49.3 -68.2 -29.6 -45.1 6.8 18.1 22 23 A V H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.849 107.4 54.3 -76.7 -37.1 -45.9 9.8 15.8 23 24 A A H X S+ 0 0 60 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.859 109.2 49.7 -60.3 -36.4 -49.3 8.1 14.9 24 25 A A H X S+ 0 0 66 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.835 111.8 46.9 -71.9 -34.2 -49.9 8.0 18.7 25 26 A L H <>S+ 0 0 4 -4,-1.3 5,-3.1 2,-0.2 3,-0.3 0.894 111.3 52.1 -70.3 -41.4 -49.0 11.7 19.0 26 27 A D H ><5S+ 0 0 88 -4,-2.8 3,-1.8 4,-0.2 5,-0.3 0.896 105.4 54.7 -59.8 -42.4 -51.2 12.6 16.1 27 28 A A H 3<5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 108.0 50.2 -65.2 -27.8 -54.1 10.7 17.6 28 29 A A T 3<5S- 0 0 62 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.314 122.0-108.1 -90.0 7.7 -53.7 12.9 20.7 29 30 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.806 91.7 112.0 71.5 30.4 -53.6 16.1 18.6 30 31 A R < + 0 0 98 -5,-3.1 -4,-0.2 -8,-0.1 -3,-0.1 -0.196 40.2 171.2-130.3 40.5 -49.9 16.5 19.2 31 32 A T - 0 0 46 -5,-0.3 2,-0.2 -6,-0.2 30,-0.1 -0.279 32.7-124.6 -55.3 130.9 -48.3 15.9 15.8 32 33 A P - 0 0 0 0, 0.0 30,-2.4 0, 0.0 2,-0.4 -0.506 23.0-158.2 -78.4 151.2 -44.7 16.8 15.9 33 34 A G E -f 62 0B 0 28,-0.2 59,-1.6 -2,-0.2 58,-1.4 -0.997 6.0-150.3-129.0 136.1 -43.2 19.4 13.5 34 35 A L E -fg 63 92B 0 28,-2.8 30,-2.7 -2,-0.4 2,-0.3 -0.922 13.2-160.7-102.5 124.6 -39.6 19.8 12.4 35 36 A G E -fg 64 93B 0 57,-2.5 59,-1.7 -2,-0.5 2,-0.4 -0.721 4.2-167.0 -93.1 150.8 -38.4 23.3 11.4 36 37 A T E -fg 65 94B 0 28,-1.5 30,-2.3 -2,-0.3 2,-0.6 -0.999 10.9-154.2-132.5 138.0 -35.3 24.1 9.4 37 38 A I E +fg 66 95B 0 57,-2.3 59,-3.0 -2,-0.4 2,-0.5 -0.966 18.7 177.6-107.7 120.8 -33.6 27.4 8.8 38 39 A L E -f 67 0B 8 28,-2.2 30,-3.0 -2,-0.6 2,-0.5 -0.991 10.8-162.0-125.5 119.1 -31.7 27.4 5.5 39 40 A V E -f 68 0B 10 -2,-0.5 3,-0.4 57,-0.4 31,-0.2 -0.914 57.4 -20.7-107.5 122.5 -29.9 30.6 4.5 40 41 A G S S- 0 0 14 28,-2.7 28,-0.1 -2,-0.5 59,-0.0 -0.350 90.1 -69.5 77.3-156.9 -28.9 31.0 0.8 41 42 A D + 0 0 114 -2,-0.1 -1,-0.2 26,-0.0 5,-0.0 -0.005 53.9 160.4-136.5 30.7 -28.5 28.2 -1.7 42 43 A D > - 0 0 78 -3,-0.4 4,-2.5 56,-0.2 5,-0.2 -0.404 39.3-137.9 -53.6 123.2 -25.5 26.0 -1.0 43 44 A P H > S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.817 101.0 47.8 -58.1 -39.3 -26.3 22.8 -2.9 44 45 A G H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.918 112.4 49.0 -66.8 -45.7 -25.1 20.4 -0.1 45 46 A S H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 111.3 50.9 -58.3 -41.2 -27.0 22.4 2.5 46 47 A Q H X S+ 0 0 71 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.904 110.6 48.8 -62.9 -43.6 -30.1 22.2 0.3 47 48 A A H X S+ 0 0 43 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.827 109.7 51.2 -68.5 -34.3 -29.7 18.5 -0.1 48 49 A Y H X S+ 0 0 134 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 112.0 46.6 -65.4 -47.2 -29.3 17.9 3.7 49 50 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.869 111.9 51.1 -64.3 -40.5 -32.5 19.9 4.4 50 51 A R H X S+ 0 0 144 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.911 110.4 50.4 -57.5 -48.0 -34.4 18.0 1.7 51 52 A G H X S+ 0 0 20 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.871 109.1 50.5 -60.5 -39.4 -33.2 14.8 3.2 52 53 A K H X S+ 0 0 26 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.908 113.1 45.2 -68.0 -42.3 -34.3 15.7 6.7 53 54 A H H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.845 110.2 54.3 -70.4 -33.3 -37.8 16.7 5.5 54 55 A A H X S+ 0 0 49 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.887 110.0 47.8 -65.7 -39.6 -38.2 13.6 3.4 55 56 A D H X S+ 0 0 19 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.901 110.2 52.3 -66.0 -41.1 -37.4 11.5 6.4 56 57 A C H >X>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-1.3 0.925 107.1 52.5 -56.1 -49.1 -39.9 13.5 8.4 57 58 A A H 3<5S+ 0 0 72 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.859 103.7 58.7 -56.6 -36.8 -42.5 12.8 5.7 58 59 A K H 3<5S+ 0 0 129 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 114.8 34.7 -62.0 -33.2 -41.8 9.1 6.0 59 60 A V H <<5S- 0 0 5 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.508 118.8-102.3-104.4 -6.0 -42.7 9.0 9.7 60 61 A G T <5 + 0 0 38 -4,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.647 68.3 146.5 97.1 17.6 -45.5 11.6 9.7 61 62 A I < - 0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 -28,-0.2 -0.755 51.3-115.8 -88.8 130.9 -43.7 14.6 11.2 62 63 A T E -f 33 0B 70 -30,-2.4 -28,-2.8 -2,-0.5 2,-0.6 -0.363 24.7-130.7 -63.1 140.6 -44.8 18.0 9.8 63 64 A S E -f 34 0B 56 -30,-0.2 2,-0.5 -2,-0.1 -28,-0.2 -0.859 22.9-177.8 -97.9 122.1 -42.3 20.0 7.7 64 65 A I E -f 35 0B 18 -30,-2.7 -28,-1.5 -2,-0.6 2,-0.4 -0.977 11.2-170.3-116.4 116.8 -41.8 23.6 8.6 65 66 A R E -f 36 0B 88 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.924 19.5-173.8-112.9 136.5 -39.3 25.4 6.3 66 67 A R E -f 37 0B 65 -30,-2.3 -28,-2.2 -2,-0.4 2,-0.7 -0.896 14.8-177.9-121.5 97.0 -37.8 28.8 6.6 67 68 A D E -f 38 0B 87 -2,-0.5 -28,-0.2 -30,-0.2 -30,-0.1 -0.880 8.6-176.5-101.4 114.7 -35.8 29.3 3.4 68 69 A L E -f 39 0B 28 -30,-3.0 -28,-2.7 -2,-0.7 2,-0.1 -0.785 27.5-104.8-114.6 152.7 -34.0 32.6 3.4 69 70 A P > - 0 0 70 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 -0.427 33.2-112.7 -74.0 154.0 -31.9 34.5 0.9 70 71 A A T 3 S+ 0 0 50 1,-0.3 -31,-0.1 -31,-0.2 -2,-0.0 0.608 111.6 56.9 -61.8 -13.0 -28.1 34.6 1.3 71 72 A D T 3 S+ 0 0 132 31,-0.0 -1,-0.3 29,-0.0 -32,-0.0 0.168 72.4 134.5-110.8 17.3 -28.2 38.3 1.9 72 73 A I < - 0 0 13 -3,-1.6 2,-0.1 1,-0.1 -4,-0.0 -0.208 54.0-115.9 -60.9 157.7 -30.6 38.6 4.9 73 74 A S > - 0 0 57 1,-0.1 4,-1.5 30,-0.0 5,-0.1 -0.337 24.8-106.1 -84.3 174.6 -29.6 40.9 7.8 74 75 A T H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 121.1 55.8 -66.5 -41.4 -28.9 39.7 11.3 75 76 A A H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.822 106.1 51.1 -61.5 -33.7 -32.2 41.2 12.5 76 77 A T H > S+ 0 0 50 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.854 109.5 49.1 -72.8 -39.7 -34.1 39.1 9.9 77 78 A L H X S+ 0 0 4 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.920 112.0 50.5 -61.0 -43.9 -32.4 35.9 11.0 78 79 A N H X S+ 0 0 35 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.830 106.1 53.8 -65.5 -37.6 -33.3 36.7 14.6 79 80 A E H X S+ 0 0 127 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.872 110.4 48.0 -62.6 -38.7 -36.9 37.3 13.7 80 81 A T H X S+ 0 0 15 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.922 112.5 47.8 -68.7 -46.5 -37.1 33.9 12.2 81 82 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 32,-0.2 0.941 113.9 47.4 -57.9 -50.2 -35.4 32.2 15.2 82 83 A D H X S+ 0 0 66 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.871 112.0 51.0 -60.3 -39.5 -37.8 34.1 17.5 83 84 A E H X S+ 0 0 70 -4,-2.1 4,-1.0 2,-0.2 3,-0.3 0.938 111.1 46.3 -65.4 -46.6 -40.7 33.1 15.4 84 85 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.913 109.4 56.8 -63.1 -39.0 -39.8 29.4 15.4 85 86 A N H 3< S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.849 115.7 36.0 -54.2 -38.6 -39.2 29.6 19.2 86 87 A A H 3< S+ 0 0 82 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.465 89.6 113.1 -96.6 -4.2 -42.8 30.8 19.6 87 88 A N X< - 0 0 27 -4,-1.0 3,-1.5 -3,-0.6 -4,-0.0 -0.597 54.8-157.0 -76.1 108.2 -44.3 28.6 16.9 88 89 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.668 91.5 51.4 -65.2 -16.1 -46.6 26.1 18.6 89 90 A D T 3 S+ 0 0 115 1,-0.1 2,-1.1 -57,-0.1 3,-0.2 0.599 91.0 85.9 -92.5 -12.9 -46.4 23.6 15.7 90 91 A C < + 0 0 1 -3,-1.5 -56,-0.1 1,-0.2 3,-0.1 -0.760 49.8 170.3 -88.3 100.9 -42.6 23.7 15.7 91 92 A T S S- 0 0 26 -58,-1.4 2,-0.3 -2,-1.1 -1,-0.2 0.884 70.1 -8.5 -79.5 -35.2 -41.6 21.2 18.2 92 93 A G E -g 34 0B 0 -59,-1.6 -57,-2.5 -3,-0.2 -1,-0.3 -0.980 66.7-174.6-154.3 157.2 -37.9 21.3 17.3 93 94 A Y E -gh 35 117B 2 23,-2.6 25,-1.1 -2,-0.3 26,-0.5 -0.977 12.3-143.2-150.0 162.9 -35.8 22.9 14.6 94 95 A I E -g 36 0B 3 -59,-1.7 -57,-2.3 -2,-0.3 2,-0.6 -0.895 14.7-134.5-123.7 152.6 -32.2 23.1 13.3 95 96 A V E -g 37 0B 10 -2,-0.3 2,-0.3 -59,-0.2 -57,-0.2 -0.958 30.2-131.9-104.8 117.0 -30.2 25.9 11.7 96 97 A Q - 0 0 18 -59,-3.0 -57,-0.4 -2,-0.6 -51,-0.1 -0.520 35.1-106.7 -74.0 131.3 -28.4 24.5 8.6 97 98 A L S S+ 0 0 67 -2,-0.3 2,-0.1 -59,-0.1 -1,-0.0 -0.783 84.6 49.1-110.1 153.8 -24.7 25.4 8.5 98 99 A P - 0 0 72 0, 0.0 -59,-0.2 0, 0.0 -56,-0.2 0.497 67.9-161.1 -83.0 153.7 -22.7 27.0 7.1 99 100 A L - 0 0 3 1,-0.1 6,-0.1 4,-0.1 -2,-0.1 -0.671 38.1 -82.4 -88.2 148.0 -24.3 30.5 7.4 100 101 A P > - 0 0 26 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.202 46.9-114.3 -43.8 143.4 -23.3 33.4 5.1 101 102 A K T 3 S+ 0 0 182 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.651 110.7 66.2 -69.5 -19.1 -20.1 35.0 6.6 102 103 A H T 3 S+ 0 0 105 2,-0.1 2,-0.5 -29,-0.0 -1,-0.3 0.547 93.1 80.9 -75.7 -4.7 -21.7 38.4 7.4 103 104 A L S < S- 0 0 9 -3,-1.9 2,-1.1 -30,-0.1 -4,-0.1 -0.888 85.4-125.0-108.9 129.2 -23.8 36.5 10.0 104 105 A D > - 0 0 105 -2,-0.5 4,-1.7 1,-0.2 5,-0.1 -0.591 24.2-167.9 -69.4 99.4 -22.6 35.5 13.4 105 106 A E H > S+ 0 0 58 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.924 82.5 49.1 -53.5 -51.2 -23.3 31.7 13.4 106 107 A N H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 107.5 53.0 -64.9 -39.2 -22.8 31.2 17.1 107 108 A A H > S+ 0 0 44 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.898 109.8 50.8 -58.8 -40.9 -25.0 34.0 18.1 108 109 A A H X S+ 0 0 2 -4,-1.7 4,-0.9 1,-0.2 3,-0.3 0.915 109.1 50.5 -63.4 -43.1 -27.7 32.5 16.0 109 110 A L H < S+ 0 0 49 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.856 110.0 49.8 -64.9 -34.7 -27.2 29.1 17.6 110 111 A E H < S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.761 102.7 61.2 -75.9 -23.7 -27.5 30.5 21.1 111 112 A R H < S+ 0 0 107 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.722 81.4 100.6 -77.8 -23.5 -30.7 32.4 20.3 112 113 A V S < S- 0 0 10 -4,-0.9 5,-0.1 -3,-0.3 -30,-0.1 -0.399 87.7-111.7 -56.4 135.8 -32.5 29.1 19.5 113 114 A D > - 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