==== 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 TRANSFERASE/TRANSFERASE INHIBITOR 14-APR-09 3H21 . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 519 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.1 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 0.4 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 . 46 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 0 0 2 0 5 1 0 0 2 0 2 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 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 PARALLEL BRIDGES PER LADDER . 1 0 1 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 . 2 0 0 0 0 0 0 2 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 K 0 0 178 0, 0.0 2,-0.5 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -48.3 -89.1 69.3 76.1 2 3 A W - 0 0 34 1,-0.1 14,-0.1 2,-0.0 13,-0.0 -0.911 360.0-165.1 -91.9 129.9 -85.8 68.6 77.9 3 4 A D + 0 0 153 -2,-0.5 2,-0.3 12,-0.0 -1,-0.1 0.227 69.3 49.4-101.2 17.5 -84.4 65.4 76.4 4 5 A Y S S- 0 0 29 165,-0.0 11,-0.5 3,-0.0 2,-0.3 -0.916 73.4-126.9-139.4 170.4 -81.9 65.0 79.2 5 6 A D E -A 14 0A 73 -2,-0.3 2,-0.7 9,-0.1 9,-0.2 -0.875 34.5-104.2-109.6 148.0 -81.6 65.1 83.0 6 7 A L E -A 13 0A 1 7,-2.6 7,-2.6 -2,-0.3 2,-0.7 -0.653 36.5-149.7 -70.7 114.2 -79.3 67.2 85.1 7 8 A R E +A 12 0A 113 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.801 23.0 171.7 -94.8 115.6 -76.6 64.7 86.2 8 9 A C E > -A 11 0A 1 3,-2.6 3,-2.2 -2,-0.7 2,-0.2 -0.580 52.6 -98.2-126.0 66.7 -75.2 65.7 89.6 9 10 A G T 3 S+ 0 0 59 -2,-0.3 -1,-0.3 1,-0.3 98,-0.0 -0.375 111.9 8.5 50.9-112.7 -72.9 62.8 90.7 10 11 A E T 3 S+ 0 0 141 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.664 128.8 57.8 -69.4 -20.2 -75.2 60.8 93.1 11 12 A Y E < -A 8 0A 45 -3,-2.2 -3,-2.6 75,-0.0 2,-0.4 -0.836 63.6-155.0-113.8 153.1 -78.5 62.8 92.3 12 13 A T E -A 7 0A 66 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.995 6.8-153.2-123.7 132.7 -80.4 63.4 89.1 13 14 A L E -A 6 0A 14 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.5 -0.911 10.5-143.0-108.1 115.9 -82.7 66.3 88.5 14 15 A N E > -A 5 0A 52 -2,-0.6 4,-0.6 -9,-0.2 -9,-0.1 -0.686 7.4-162.7 -77.3 123.4 -85.5 66.0 86.0 15 16 A L T 4 S+ 0 0 2 -2,-0.5 -1,-0.1 -11,-0.5 -10,-0.1 0.500 81.6 51.2 -83.5 -6.2 -86.0 69.3 84.1 16 17 A N T 4 S+ 0 0 53 -14,-0.1 -1,-0.2 248,-0.1 3,-0.1 0.746 97.2 57.1-107.0 -29.6 -89.4 68.4 82.9 17 18 A E T 4 S- 0 0 113 1,-0.2 2,-0.3 247,-0.1 -2,-0.1 0.839 114.8 -7.1 -81.4 -35.1 -91.6 67.3 85.8 18 19 A K S < S- 0 0 80 -4,-0.6 2,-0.3 223,-0.1 -1,-0.2 -0.981 73.2 -92.4-152.1 161.5 -91.4 70.3 88.1 19 20 A T - 0 0 3 -2,-0.3 2,-0.4 236,-0.1 223,-0.2 -0.657 50.2-127.0 -67.7 133.4 -89.7 73.7 88.6 20 21 A L E -b 242 0B 3 221,-2.7 223,-2.3 -2,-0.3 2,-0.5 -0.759 14.6-142.2 -96.3 139.2 -86.7 73.0 90.8 21 22 A I E -b 243 0B 2 -2,-0.4 36,-3.0 34,-0.3 37,-1.3 -0.847 7.7-161.4-105.3 120.1 -86.3 75.0 94.0 22 23 A M E -bc 244 58B 1 221,-2.8 223,-2.4 -2,-0.5 2,-0.4 -0.956 16.6-143.3-103.2 120.9 -82.8 76.0 95.0 23 24 A G E -bc 245 59B 0 35,-3.0 37,-2.8 -2,-0.5 2,-0.6 -0.702 10.9-131.0 -87.5 128.3 -82.7 76.9 98.7 24 25 A I E - c 0 60B 15 221,-2.4 2,-0.6 -2,-0.4 37,-0.1 -0.726 24.7-134.0 -82.7 120.1 -80.5 79.8 99.7 25 26 A L E - c 0 61B 9 35,-2.8 37,-0.5 -2,-0.6 2,-0.3 -0.673 8.5-128.5 -82.4 118.8 -78.3 78.8 102.6 26 27 A N - 0 0 94 -2,-0.6 21,-0.1 17,-0.1 22,-0.1 -0.466 25.0-176.5 -49.9 110.1 -77.9 81.1 105.6 27 28 A V + 0 0 39 -2,-0.3 -1,-0.1 36,-0.1 13,-0.1 -0.279 8.1 170.4-116.9 47.4 -74.1 81.5 106.4 28 29 A T - 0 0 111 12,-0.1 15,-0.1 1,-0.1 16,-0.1 -0.408 33.6-135.0 -59.0 98.4 -73.8 83.7 109.6 29 30 A P - 0 0 70 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.225 12.0-114.3 -63.3 144.3 -70.0 83.4 110.4 30 31 A D > - 0 0 40 7,-0.0 3,-1.5 2,-0.0 2,-0.1 -0.695 26.8-129.8 -71.3 114.3 -68.8 82.7 114.0 31 32 A S T 3 S+ 0 0 107 -2,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.502 100.0 29.8 -56.8 139.5 -66.8 85.7 115.2 32 33 A F T 3 S+ 0 0 220 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.031 105.3 102.6 90.7 -21.2 -63.5 84.2 116.6 33 34 A S < - 0 0 34 -3,-1.5 -1,-0.3 1,-0.1 3,-0.1 -0.586 59.4-158.2 -89.6 150.0 -63.8 81.3 114.1 34 35 A D S S- 0 0 93 1,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.603 76.9 -65.2 -82.4 -20.1 -61.8 80.8 110.8 35 36 A G S S+ 0 0 21 37,-0.1 -1,-0.5 38,-0.1 37,-0.2 -0.432 112.8 70.4 130.0 139.7 -64.6 78.5 109.6 36 37 A G + 0 0 16 36,-0.3 261,-2.9 1,-0.3 262,-0.2 0.218 57.1 147.3 112.5 -15.2 -65.6 75.1 111.1 37 38 A S B > -J 296 0C 26 259,-0.3 4,-2.3 260,-0.1 5,-0.3 -0.126 55.2-121.9 -58.6 148.6 -67.2 76.0 114.5 38 39 A Y H > S+ 0 0 12 257,-2.5 4,-2.0 1,-0.2 5,-0.2 0.845 107.6 53.6 -58.9 -41.8 -70.0 74.0 115.9 39 40 A N H > S+ 0 0 99 256,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 114.4 39.1 -64.3 -45.9 -72.5 76.9 116.1 40 41 A E H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.893 118.4 46.1 -73.4 -43.1 -72.2 78.0 112.4 41 42 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.849 115.9 48.3 -68.3 -29.4 -72.0 74.5 110.9 42 43 A D H X S+ 0 0 20 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.892 110.5 47.3 -79.6 -43.2 -74.9 73.4 113.1 43 44 A A H X S+ 0 0 45 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.938 113.6 52.9 -58.5 -45.4 -77.1 76.3 112.3 44 45 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.916 111.2 44.0 -50.3 -53.8 -76.2 75.6 108.6 45 46 A V H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.879 113.9 50.1 -64.4 -39.3 -77.1 71.9 108.8 46 47 A R H X S+ 0 0 138 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.931 111.9 48.6 -67.5 -42.2 -80.4 72.6 110.6 47 48 A H H X S+ 0 0 32 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.914 111.2 49.6 -60.0 -44.6 -81.3 75.3 108.1 48 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.843 110.8 50.6 -60.6 -37.2 -80.5 72.9 105.2 49 50 A K H X S+ 0 0 75 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.881 109.6 49.7 -71.2 -42.9 -82.6 70.2 106.8 50 51 A E H X S+ 0 0 96 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.940 112.4 47.4 -57.0 -51.6 -85.5 72.5 107.2 51 52 A M H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.910 109.8 53.6 -60.8 -39.8 -85.3 73.6 103.5 52 53 A R H ><5S+ 0 0 59 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.950 110.4 47.9 -55.2 -44.9 -85.0 70.0 102.5 53 54 A D H 3<5S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.724 107.4 55.3 -70.2 -26.8 -88.3 69.4 104.5 54 55 A E T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.404 130.2 -84.1 -87.1 -0.0 -90.1 72.4 102.9 55 56 A G T < 5S+ 0 0 25 -3,-1.3 -34,-0.3 -4,-0.5 -3,-0.2 0.523 71.2 154.4 112.5 9.0 -89.5 71.2 99.3 56 57 A A < - 0 0 6 -5,-2.4 -1,-0.2 -6,-0.2 -34,-0.2 -0.413 23.0-170.3 -66.1 146.1 -86.0 72.4 98.3 57 58 A H S S+ 0 0 31 -36,-3.0 2,-0.3 1,-0.3 -35,-0.2 0.592 73.2 25.8-112.2 -18.9 -84.3 70.4 95.5 58 59 A I E -c 22 0B 1 -37,-1.3 -35,-3.0 28,-0.2 2,-0.5 -0.974 69.7-140.2-143.1 145.5 -80.8 71.9 95.7 59 60 A I E -cd 23 88B 0 28,-2.6 30,-2.4 -2,-0.3 2,-0.6 -0.980 15.7-153.8-110.6 126.4 -79.0 73.6 98.6 60 61 A D E -cd 24 89B 1 -37,-2.8 -35,-2.8 -2,-0.5 2,-0.5 -0.882 13.5-173.0-101.8 118.3 -77.1 76.7 97.5 61 62 A I E -cd 25 90B 0 28,-2.6 30,-2.7 -2,-0.6 2,-0.3 -0.940 3.5-178.6-119.8 125.3 -74.1 77.5 99.9 62 63 A G E d 0 91B 10 -37,-0.5 30,-0.1 -2,-0.5 28,-0.0 -0.944 360.0 360.0-129.0 147.9 -71.9 80.6 99.6 63 64 A G 0 0 40 28,-0.7 6,-0.1 -2,-0.3 7,-0.1 -0.057 360.0 360.0-121.3 360.0 -68.8 82.1 101.5 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 75 A S > 0 0 121 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.3 -60.0 86.3 101.2 66 76 A V H > + 0 0 47 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.890 360.0 42.2 -57.5 -46.3 -59.6 83.2 98.9 67 77 A E H > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 117.2 50.6 -72.8 -31.2 -58.0 80.9 101.6 68 78 A E H > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.815 105.4 53.5 -66.5 -41.8 -60.5 82.3 104.0 69 79 A E H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.859 109.6 50.0 -65.9 -38.1 -63.6 81.6 101.8 70 80 A I H X S+ 0 0 13 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.922 108.3 51.9 -65.9 -48.7 -62.4 78.0 101.5 71 81 A K H < S+ 0 0 114 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.8 42.3 -53.8 -41.0 -62.0 77.6 105.3 72 82 A R H X S+ 0 0 65 -4,-1.7 4,-0.6 -37,-0.2 -36,-0.3 0.924 122.5 34.2 -72.6 -48.7 -65.6 79.0 105.8 73 83 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.818 105.7 66.0 -86.4 -31.3 -67.5 77.2 103.1 74 84 A V H X S+ 0 0 23 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.927 100.3 51.1 -58.2 -50.5 -65.7 73.8 103.0 75 85 A P H > S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.832 112.0 50.2 -52.4 -37.6 -66.8 72.6 106.6 76 86 A M H X S+ 0 0 3 -4,-0.6 4,-2.7 2,-0.2 5,-0.3 0.925 108.5 48.1 -72.3 -46.2 -70.4 73.5 105.6 77 87 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.951 113.2 50.7 -55.5 -49.7 -70.4 71.6 102.3 78 88 A Q H X S+ 0 0 96 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.927 115.5 41.3 -50.4 -53.3 -68.9 68.5 104.2 79 89 A A H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.943 118.1 45.1 -61.6 -50.0 -71.6 68.7 107.0 80 90 A V H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.919 113.5 47.7 -66.8 -43.8 -74.6 69.4 104.8 81 91 A S H < S+ 0 0 28 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.816 114.9 47.6 -69.0 -28.7 -73.8 66.8 102.1 82 92 A K H < S+ 0 0 158 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.941 125.5 29.3 -70.2 -48.2 -73.2 64.2 104.7 83 93 A E H < S+ 0 0 46 -4,-2.7 2,-0.5 -5,-0.2 -2,-0.2 0.599 117.5 54.7 -96.3 -17.3 -76.4 65.0 106.6 84 94 A V < - 0 0 1 -4,-3.5 2,-1.7 -5,-0.2 -1,-0.2 -0.973 69.0-148.2-124.7 116.5 -78.7 66.3 103.9 85 95 A K + 0 0 130 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.536 63.2 98.6 -85.1 71.3 -79.4 64.1 100.8 86 96 A L S S- 0 0 25 -2,-1.7 -28,-0.2 -6,-0.1 -2,-0.1 -0.964 81.8 -88.8-148.0 149.9 -79.9 66.9 98.2 87 97 A P - 0 0 3 0, 0.0 -28,-2.6 0, 0.0 2,-0.4 -0.289 40.4-144.5 -60.8 150.3 -77.4 68.3 95.5 88 98 A I E -d 59 0B 0 17,-0.3 19,-2.6 -30,-0.2 20,-1.4 -0.963 7.6-158.7-117.5 136.0 -75.3 71.2 96.7 89 99 A S E -de 60 108B 0 -30,-2.4 -28,-2.6 -2,-0.4 2,-0.6 -0.924 14.8-137.7-106.7 141.4 -74.3 74.1 94.6 90 100 A I E -de 61 109B 0 18,-2.6 20,-2.8 -2,-0.4 2,-1.3 -0.878 11.4-144.1 -95.4 122.9 -71.3 76.2 95.6 91 101 A D E +de 62 110B 43 -30,-2.7 -28,-0.7 -2,-0.6 2,-0.3 -0.713 52.8 117.8 -89.1 90.5 -71.9 79.9 95.1 92 102 A T - 0 0 2 -2,-1.3 21,-0.2 18,-0.8 18,-0.1 -0.988 52.8-157.9-144.8 159.1 -68.5 81.2 94.0 93 103 A Y S S+ 0 0 78 -2,-0.3 2,-0.4 18,-0.2 25,-0.3 0.314 71.2 97.8-111.1 6.2 -66.8 82.9 91.0 94 104 A K > - 0 0 27 1,-0.1 4,-2.2 23,-0.1 5,-0.1 -0.804 65.1-148.0-103.4 129.8 -63.3 81.7 92.0 95 105 A A H > S+ 0 0 11 -2,-0.4 4,-2.5 1,-0.2 -1,-0.1 0.849 99.0 52.5 -65.4 -33.8 -61.8 78.6 90.4 96 106 A E H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 110.6 45.3 -68.4 -47.1 -59.9 77.7 93.5 97 107 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.866 113.1 51.8 -61.7 -41.3 -62.9 77.8 95.8 98 108 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.966 109.2 49.4 -62.4 -54.2 -64.9 75.9 93.2 99 109 A K H X S+ 0 0 78 -4,-2.5 4,-2.3 1,-0.2 3,-0.2 0.947 114.9 45.2 -42.9 -61.4 -62.2 73.1 93.0 100 110 A Q H X S+ 0 0 58 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.873 110.9 53.4 -50.8 -45.9 -62.1 72.9 96.8 101 111 A A H <>S+ 0 0 0 -4,-2.6 5,-3.4 2,-0.2 4,-0.3 0.852 110.4 44.6 -67.0 -40.0 -65.9 72.9 97.1 102 112 A I H ><5S+ 0 0 22 -4,-2.4 3,-1.0 3,-0.3 -1,-0.2 0.901 113.4 52.4 -65.8 -44.8 -66.5 70.0 94.7 103 113 A E H 3<5S+ 0 0 127 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.923 110.1 49.4 -50.3 -51.5 -63.6 68.2 96.5 104 114 A A T 3<5S- 0 0 15 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.555 138.5 -80.5 -66.7 -11.4 -65.5 68.9 99.7 105 115 A G T < 5S+ 0 0 24 -3,-1.0 -17,-0.3 -4,-0.3 -3,-0.3 0.349 78.1 143.4 129.0 -10.6 -68.8 67.5 98.3 106 116 A A < - 0 0 4 -5,-3.4 -1,-0.3 -8,-0.1 -17,-0.2 -0.393 28.5-166.2 -67.6 143.9 -70.5 70.2 96.1 107 117 A H + 0 0 14 -19,-2.6 2,-0.3 1,-0.2 -18,-0.2 0.643 66.2 31.3-102.7 -20.4 -72.4 69.1 93.0 108 118 A I E -e 89 0B 2 -20,-1.4 -18,-2.6 22,-0.2 2,-0.4 -0.986 69.7-130.9-144.4 139.8 -73.0 72.3 90.9 109 119 A I E -ef 90 132B 0 22,-2.7 24,-2.3 -2,-0.3 2,-0.5 -0.822 13.2-162.7 -95.9 139.9 -71.1 75.5 90.5 110 120 A N E -ef 91 133B 6 -20,-2.8 -18,-0.8 -2,-0.4 2,-0.8 -0.874 11.2-175.6-121.5 95.4 -73.0 78.8 90.8 111 121 A D E > - f 0 134B 0 22,-2.1 3,-2.1 -2,-0.5 24,-1.8 -0.803 18.6-167.7-104.2 106.5 -71.0 81.7 89.2 112 122 A I T 3 S+ 0 0 43 -2,-0.8 -1,-0.1 1,-0.3 -19,-0.1 0.514 94.7 49.3 -67.6 -2.5 -72.4 85.2 89.6 113 123 A W T > S- 0 0 74 -21,-0.2 3,-1.2 24,-0.1 -1,-0.3 0.342 105.4-128.2-115.8 1.3 -69.8 86.3 87.0 114 124 A G T < S- 0 0 0 -3,-2.1 46,-0.1 19,-0.3 20,-0.1 0.877 70.1 -52.5 50.2 49.7 -70.6 83.5 84.4 115 125 A A T 3 S+ 0 0 0 3,-0.1 -1,-0.3 1,-0.1 7,-0.2 0.640 120.1 104.4 67.9 18.2 -66.9 82.4 84.1 116 126 A K S < S+ 0 0 68 -3,-1.2 -2,-0.1 2,-0.2 -1,-0.1 0.736 72.3 53.3-100.7 -26.3 -65.8 85.9 83.4 117 127 A A S S+ 0 0 45 1,-0.3 3,-0.1 2,-0.1 -23,-0.1 0.944 133.7 6.8 -71.9 -47.0 -64.2 86.8 86.7 118 128 A E > - 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