==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-JAN-12 4D8Z . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR D.HAMMOUDEH,R.E.LEE,S.W.WHITE . 521 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 35 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 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 3 3 0 0 2 0 2 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 4 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 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 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 0 177 0, 0.0 2,-0.6 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -52.5 -33.2 27.9 -11.8 2 3 A W - 0 0 34 1,-0.1 14,-0.1 2,-0.0 13,-0.1 -0.942 360.0-166.1-102.5 122.7 -32.4 24.5 -10.2 3 4 A D S S+ 0 0 148 -2,-0.6 2,-0.3 12,-0.1 -1,-0.1 0.260 70.4 52.7 -92.4 12.1 -34.4 21.7 -11.7 4 5 A Y S S- 0 0 28 166,-0.0 11,-0.4 3,-0.0 2,-0.3 -0.961 74.7-127.5-140.4 160.9 -33.4 19.4 -8.9 5 6 A D - 0 0 75 -2,-0.3 2,-0.8 9,-0.1 9,-0.2 -0.814 33.9-108.0-102.3 147.5 -33.4 19.2 -5.1 6 7 A L E -A 13 0A 1 7,-2.6 7,-2.8 -2,-0.3 2,-0.6 -0.684 36.8-147.2 -74.1 108.7 -30.4 18.3 -3.1 7 8 A R E +A 12 0A 113 -2,-0.8 5,-0.2 5,-0.2 2,-0.1 -0.723 23.8 174.1 -84.7 119.1 -31.2 14.8 -1.9 8 9 A C E > -A 11 0A 2 3,-2.4 3,-2.2 -2,-0.6 2,-0.5 -0.470 49.2-103.6-123.8 59.1 -29.7 14.1 1.6 9 10 A G T 3 S+ 0 0 54 1,-0.3 -1,-0.2 121,-0.2 99,-0.0 -0.428 107.6 8.8 61.7-111.5 -31.1 10.7 2.5 10 11 A E T 3 S+ 0 0 126 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.732 131.4 58.4 -72.1 -23.0 -33.9 11.4 5.0 11 12 A Y E < -A 8 0A 31 -3,-2.2 -3,-2.4 76,-0.0 2,-0.4 -0.808 66.6-158.0-109.2 149.9 -33.7 15.2 4.4 12 13 A T E -A 7 0A 69 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.995 5.1-155.1-125.4 135.3 -34.2 17.1 1.2 13 14 A L E -A 6 0A 17 -7,-2.8 -7,-2.6 -2,-0.4 2,-0.4 -0.927 9.4-144.2-113.7 118.6 -32.8 20.6 0.5 14 15 A N - 0 0 50 -2,-0.6 4,-0.4 -9,-0.2 -9,-0.1 -0.653 5.7-161.4 -79.7 127.5 -34.5 22.9 -2.0 15 16 A L S S+ 0 0 2 -11,-0.4 -1,-0.1 -2,-0.4 5,-0.1 0.509 82.2 49.6 -88.0 -5.6 -31.9 25.0 -3.8 16 17 A N S S+ 0 0 53 -14,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.760 94.7 62.1-107.4 -32.2 -34.4 27.6 -5.1 17 18 A E S S- 0 0 114 1,-0.2 2,-0.3 2,-0.0 248,-0.1 0.809 113.7 -13.5 -72.2 -30.7 -36.5 28.8 -2.2 18 19 A K S S- 0 0 74 -4,-0.4 2,-0.3 247,-0.2 -1,-0.2 -0.992 75.1 -83.0-165.1 156.6 -33.8 30.4 -0.0 19 20 A T - 0 0 2 -2,-0.3 2,-0.4 237,-0.1 224,-0.2 -0.564 52.5-128.5 -65.0 126.8 -30.1 30.7 0.7 20 21 A L E -b 243 0B 4 222,-2.8 224,-2.1 -2,-0.3 2,-0.6 -0.661 16.0-141.1 -86.3 133.8 -29.2 27.6 2.7 21 22 A I E -b 244 0B 1 -2,-0.4 36,-2.9 34,-0.3 37,-1.7 -0.821 9.6-162.5-102.0 119.3 -27.3 28.2 6.0 22 23 A M E -bc 245 58B 1 222,-3.3 224,-2.5 -2,-0.6 2,-0.4 -0.876 13.2-150.1 -98.3 115.1 -24.5 25.8 7.0 23 24 A G E -bc 246 59B 0 35,-3.0 37,-3.2 -2,-0.7 2,-0.7 -0.696 10.4-133.2 -87.3 134.4 -23.7 26.2 10.7 24 25 A I E - c 0 60B 15 222,-1.9 2,-0.2 -2,-0.4 37,-0.1 -0.775 22.2-139.7 -90.3 112.8 -20.1 25.5 11.8 25 26 A L 0 0 15 35,-2.3 37,-0.4 -2,-0.7 19,-0.1 -0.462 360.0 360.0 -76.9 136.5 -20.1 23.2 14.9 26 27 A N 0 0 106 -2,-0.2 -1,-0.1 17,-0.1 21,-0.1 -0.424 360.0 360.0 -58.2 360.0 -17.6 23.8 17.8 27 ! 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 28 29 A T 0 0 122 0, 0.0 16,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 106.1 -13.7 21.6 21.2 29 30 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 5,-0.0 -0.255 360.0-110.4 -72.4 151.5 -12.0 18.4 22.3 30 31 A D > - 0 0 41 1,-0.1 3,-1.4 7,-0.0 5,-0.1 -0.714 23.4-137.2 -79.2 129.4 -11.7 17.1 25.9 31 32 A S T 3 S+ 0 0 118 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.663 98.6 42.5 -61.4 -19.1 -8.1 17.3 27.1 32 33 A F T 3 S+ 0 0 213 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.257 105.1 67.5-117.3 11.9 -8.1 13.9 28.7 33 34 A S < - 0 0 22 -3,-1.4 3,-0.1 1,-0.1 40,-0.0 -0.887 65.2-139.7-130.7 162.6 -9.9 11.7 26.2 34 35 A D S S- 0 0 122 1,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.359 80.6 -66.2 -96.0 0.3 -9.4 10.3 22.7 35 36 A G S S+ 0 0 19 -5,-0.1 -1,-0.4 38,-0.1 38,-0.2 -0.573 104.3 72.4 136.8 164.5 -13.1 11.1 22.0 36 37 A G + 0 0 14 37,-0.4 263,-2.4 1,-0.2 264,-0.2 0.315 60.7 151.0 86.9 -7.8 -16.7 10.2 22.9 37 38 A S B > -J 298 0C 30 261,-0.2 4,-2.2 262,-0.1 5,-0.3 -0.135 53.9-120.0 -62.4 153.3 -16.7 11.9 26.3 38 39 A Y H > S+ 0 0 14 259,-2.4 4,-2.6 1,-0.2 5,-0.3 0.897 107.3 52.1 -62.6 -46.7 -19.8 13.3 27.9 39 40 A N H > S+ 0 0 106 258,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.956 114.6 39.5 -56.7 -52.7 -18.6 16.9 28.2 40 41 A E H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.922 119.1 45.5 -70.3 -41.3 -17.4 17.3 24.6 41 42 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.895 113.6 49.8 -68.1 -39.0 -20.3 15.4 23.0 42 43 A D H X S+ 0 0 15 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.897 109.8 50.9 -65.3 -40.6 -22.9 17.2 25.1 43 44 A A H X S+ 0 0 45 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.926 111.0 50.7 -58.9 -43.3 -21.4 20.6 24.3 44 45 A A H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.931 110.0 47.3 -61.4 -50.6 -21.6 19.6 20.6 45 46 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.904 111.7 51.8 -58.7 -41.9 -25.3 18.5 20.7 46 47 A R H X S+ 0 0 139 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.885 111.4 46.6 -65.6 -37.4 -26.2 21.7 22.6 47 48 A H H X S+ 0 0 27 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.917 111.6 50.9 -68.4 -41.2 -24.5 23.9 20.0 48 49 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.934 111.5 48.7 -59.1 -47.0 -26.1 21.9 17.1 49 50 A K H X S+ 0 0 77 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.880 111.3 49.3 -58.5 -44.7 -29.5 22.4 18.8 50 51 A E H X S+ 0 0 96 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.939 111.9 47.9 -63.7 -45.8 -28.9 26.1 19.2 51 52 A M H X>S+ 0 0 1 -4,-2.8 5,-2.2 1,-0.2 4,-0.7 0.917 109.6 53.6 -63.6 -39.4 -27.8 26.5 15.6 52 53 A R H ><5S+ 0 0 92 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.937 109.8 48.9 -55.0 -46.7 -30.9 24.6 14.6 53 54 A D H 3<5S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 107.6 55.2 -64.7 -29.3 -32.9 27.1 16.6 54 55 A E H 3<5S- 0 0 56 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.484 129.3 -84.2 -88.3 -3.1 -31.2 30.1 15.0 55 56 A G T <<5S+ 0 0 23 -3,-1.1 -34,-0.3 -4,-0.7 -3,-0.2 0.572 71.7 153.5 115.3 13.3 -32.0 29.1 11.4 56 57 A A < - 0 0 6 -5,-2.2 -1,-0.3 -6,-0.1 -34,-0.2 -0.490 23.7-171.7 -69.8 141.1 -29.3 26.6 10.3 57 58 A H S S+ 0 0 31 -36,-2.9 2,-0.3 1,-0.3 -35,-0.2 0.600 74.1 29.1-105.0 -19.8 -30.3 24.2 7.6 58 59 A I E -c 22 0B 2 -37,-1.7 -35,-3.0 29,-0.1 2,-0.6 -0.989 68.8-141.5-142.0 145.9 -27.1 22.1 7.8 59 60 A I E -cd 23 89B 0 29,-2.3 31,-2.3 -2,-0.3 2,-0.6 -0.954 15.5-152.3-113.0 119.6 -24.7 21.2 10.6 60 61 A D E -cd 24 90B 2 -37,-3.2 -35,-2.3 -2,-0.6 2,-0.6 -0.797 12.4-167.8 -96.7 116.8 -21.0 21.1 9.6 61 62 A I E d 0 91B 1 29,-3.1 31,-2.8 -2,-0.6 -35,-0.1 -0.911 360.0 360.0-115.4 117.9 -19.0 18.8 11.8 62 63 A G 0 0 73 -2,-0.6 -1,-0.2 -37,-0.4 -36,-0.1 0.308 360.0 360.0 154.6 360.0 -15.2 18.7 11.7 63 ! 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 64 73 A K 0 0 159 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.0 -2.6 17.9 12.7 65 74 A V - 0 0 59 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.387 360.0-100.3-102.0 172.1 -4.1 14.5 13.8 66 75 A S > - 0 0 51 -2,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.458 30.8-111.6 -88.7 160.6 -4.2 11.0 12.5 67 76 A V H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.896 118.6 52.2 -54.3 -43.8 -7.0 9.2 10.7 68 77 A E H > S+ 0 0 125 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 113.8 41.4 -61.3 -48.8 -7.6 7.0 13.7 69 78 A E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 111.1 57.0 -61.8 -46.5 -7.8 9.9 16.1 70 79 A E H X S+ 0 0 39 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.909 112.0 42.7 -53.8 -45.0 -9.9 11.9 13.7 71 80 A I H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.925 110.8 53.7 -67.0 -45.9 -12.5 9.1 13.5 72 81 A K H < S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.855 116.4 42.0 -58.7 -33.5 -12.4 8.4 17.3 73 82 A R H X S+ 0 0 59 -4,-2.5 4,-0.7 -38,-0.2 -37,-0.4 0.923 120.4 36.3 -77.5 -49.4 -13.2 12.1 17.8 74 83 A V H X S+ 0 0 8 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.797 103.1 68.0 -84.4 -28.9 -15.8 12.9 15.1 75 84 A V H X S+ 0 0 26 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.912 98.7 50.1 -62.2 -44.8 -17.8 9.7 15.0 76 85 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.902 111.3 51.4 -60.0 -38.2 -19.4 10.0 18.5 77 86 A M H X S+ 0 0 25 -4,-0.7 4,-2.6 2,-0.2 5,-0.3 0.934 109.4 47.6 -63.8 -47.6 -20.4 13.6 17.6 78 87 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.922 111.1 53.8 -58.5 -43.5 -22.1 12.6 14.4 79 88 A Q H X S+ 0 0 103 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.896 114.8 38.0 -59.3 -44.7 -23.9 9.8 16.2 80 89 A A H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 3,-0.3 0.963 118.0 47.4 -71.4 -52.8 -25.4 12.1 18.9 81 90 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 6,-0.2 0.885 111.1 51.4 -58.8 -39.7 -26.2 15.1 16.7 82 91 A S H < S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.860 114.9 44.2 -68.7 -32.6 -27.8 13.0 14.0 83 92 A K H < S+ 0 0 72 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.923 124.8 31.2 -71.2 -46.3 -30.0 11.4 16.7 84 93 A E H < S+ 0 0 62 -4,-2.9 2,-0.5 1,-0.2 -2,-0.2 0.572 115.3 56.2 -99.6 -12.5 -30.9 14.5 18.6 85 94 A V < - 0 0 0 -4,-2.6 2,-2.2 -5,-0.3 -1,-0.2 -0.954 69.4-147.8-126.5 112.5 -30.9 17.2 15.9 86 95 A K + 0 0 123 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.457 62.4 102.9 -83.3 70.9 -33.1 16.7 12.8 87 96 A L S S- 0 0 26 -2,-2.2 -29,-0.1 -6,-0.2 -2,-0.1 -0.978 80.0 -92.4-144.1 149.0 -30.9 18.5 10.2 88 97 A P - 0 0 3 0, 0.0 -29,-2.3 0, 0.0 2,-0.4 -0.355 42.2-142.2 -64.4 143.9 -28.6 17.1 7.6 89 98 A I E -d 59 0B 0 17,-0.3 19,-3.0 -31,-0.2 20,-2.2 -0.885 11.3-161.7-111.9 137.8 -25.0 16.7 8.7 90 99 A S E -de 60 109B 0 -31,-2.3 -29,-3.1 -2,-0.4 2,-0.6 -0.953 15.0-137.4-114.5 141.2 -21.9 17.3 6.7 91 100 A I E -de 61 110B 1 18,-2.4 20,-2.5 -2,-0.4 2,-1.5 -0.870 11.2-144.4 -98.1 120.8 -18.5 15.8 7.7 92 101 A D E + e 0 111B 27 -31,-2.8 2,-0.3 -2,-0.6 20,-0.2 -0.647 55.5 116.3 -84.9 82.4 -15.7 18.3 7.3 93 102 A T - 0 0 1 -2,-1.5 21,-0.2 18,-0.8 18,-0.1 -0.947 52.7-159.9-143.0 163.8 -12.9 16.0 6.2 94 103 A Y + 0 0 71 -2,-0.3 2,-0.5 18,-0.2 28,-0.2 0.130 67.4 100.9-126.5 16.3 -10.6 15.4 3.2 95 104 A K > - 0 0 23 1,-0.1 4,-2.4 27,-0.1 5,-0.2 -0.901 66.6-142.6-108.9 128.5 -9.7 11.8 4.1 96 105 A A H > S+ 0 0 12 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.902 100.7 45.7 -52.3 -48.3 -11.5 8.9 2.4 97 106 A E H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 110.9 52.2 -71.2 -34.4 -11.7 6.7 5.5 98 107 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 109.8 50.5 -62.9 -43.1 -12.9 9.5 7.7 99 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.927 110.1 49.6 -63.0 -45.2 -15.6 10.3 5.2 100 109 A K H X S+ 0 0 80 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.963 113.1 46.0 -55.7 -54.8 -16.7 6.6 5.1 101 110 A Q H X S+ 0 0 60 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.905 112.2 51.3 -56.2 -46.1 -16.8 6.3 8.9 102 111 A A H X>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-1.1 0.894 110.6 47.3 -60.4 -43.9 -18.8 9.6 9.3 103 112 A I H <5S+ 0 0 20 -4,-2.3 3,-0.3 3,-0.3 -1,-0.2 0.900 112.6 49.1 -66.7 -41.5 -21.4 8.6 6.8 104 113 A E H <5S+ 0 0 127 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.925 110.1 53.1 -57.3 -45.7 -21.8 5.2 8.4 105 114 A A H <5S- 0 0 14 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.722 137.6 -84.3 -62.5 -24.7 -22.1 7.1 11.6 106 115 A G T <5S+ 0 0 21 -4,-1.1 -17,-0.3 -3,-0.3 -3,-0.3 0.408 76.1 145.1 135.5 -2.6 -24.8 9.2 10.1 107 116 A A < - 0 0 5 -5,-2.8 -1,-0.2 1,-0.1 -17,-0.2 -0.369 28.0-165.7 -63.0 145.1 -23.4 12.1 8.1 108 117 A H + 0 0 16 -19,-3.0 2,-0.3 1,-0.2 -18,-0.2 0.689 67.3 37.3-106.0 -26.3 -25.4 13.1 4.9 109 118 A I E -e 90 0B 1 -20,-2.2 -18,-2.4 22,-0.2 2,-0.4 -0.957 68.6-135.9-133.0 144.9 -22.9 15.3 3.1 110 119 A I E -ef 91 133B 0 22,-2.5 24,-2.8 -2,-0.3 2,-0.5 -0.873 13.9-165.0-101.7 137.2 -19.1 15.3 2.5 111 120 A N E -ef 92 134B 5 -20,-2.5 -18,-0.8 -2,-0.4 2,-0.7 -0.877 9.6-176.7-126.4 98.9 -17.3 18.5 2.8 112 121 A D E > - f 0 135B 0 22,-2.1 24,-2.0 -2,-0.5 3,-1.6 -0.833 18.7-169.0-109.8 107.9 -13.8 18.3 1.3 113 122 A I T 3 S+ 0 0 40 -2,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.595 91.5 52.4 -68.7 -11.5 -11.4 21.3 1.6 114 123 A W T > S- 0 0 79 -21,-0.2 3,-1.7 24,-0.1 -1,-0.3 0.345 106.8-124.2-105.8 6.2 -9.0 19.7 -0.9 115 124 A G T < - 0 0 0 -3,-1.6 46,-0.1 1,-0.3 47,-0.1 0.826 66.0 -59.4 61.0 35.1 -11.6 19.0 -3.5 116 125 A A T 3 S+ 0 0 0 1,-0.1 -1,-0.3 45,-0.1 7,-0.2 0.560 118.6 106.5 71.4 9.2 -10.9 15.3 -3.8 117 126 A K S < S+ 0 0 72 -3,-1.7 -2,-0.1 2,-0.1 -1,-0.1 0.678 72.5 54.8 -91.2 -19.8 -7.3 16.0 -4.7 118 127 A A S S+ 0 0 45 1,-0.2 -1,-0.1 -4,-0.1 3,-0.1 0.915 132.1 6.9 -77.0 -44.5 -5.8 14.9 -1.3 119 128 A E > - 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