==== 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 13-JAN-12 4DB7 . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR D.HAMMOUDEH,R.E.LEE,S.W.WHITE . 514 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.1 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 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 0 232 0, 0.0 2,-0.4 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 130.0 -33.4 28.5 -10.8 2 3 A W - 0 0 50 1,-0.1 13,-0.1 2,-0.1 14,-0.1 -0.804 360.0-159.8-100.7 131.7 -32.7 24.9 -9.9 3 4 A D S S+ 0 0 153 -2,-0.4 2,-0.3 12,-0.0 -1,-0.1 0.379 75.7 48.8 -91.7 5.2 -34.8 22.1 -11.5 4 5 A Y S S- 0 0 31 162,-0.0 11,-0.5 3,-0.0 2,-0.3 -0.901 76.1-120.5-137.6 166.2 -33.8 19.7 -8.7 5 6 A D - 0 0 74 -2,-0.3 2,-0.8 9,-0.1 9,-0.2 -0.814 32.7-109.8-104.0 146.4 -33.6 19.4 -4.9 6 7 A L E -A 13 0A 1 7,-2.4 7,-2.6 -2,-0.3 2,-0.6 -0.698 38.9-149.1 -76.3 110.7 -30.5 18.7 -2.9 7 8 A R E +A 12 0A 119 -2,-0.8 2,-0.3 5,-0.2 5,-0.2 -0.775 26.2 168.8 -92.0 116.2 -31.3 15.2 -1.6 8 9 A C E > -A 11 0A 2 3,-2.2 3,-1.9 -2,-0.6 2,-0.1 -0.622 53.3 -97.5-127.3 71.6 -29.8 14.3 1.8 9 10 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 -2,-0.3 95,-0.0 -0.325 109.1 8.3 55.5-119.3 -31.4 11.0 2.9 10 11 A E T 3 S+ 0 0 125 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.3 0.809 128.9 58.2 -62.6 -35.0 -34.2 11.8 5.3 11 12 A Y E < -A 8 0A 31 -3,-1.9 -3,-2.2 72,-0.0 2,-0.4 -0.706 65.1-158.4-102.5 153.0 -34.1 15.6 4.6 12 13 A T E -A 7 0A 65 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.995 5.4-153.2-132.1 126.3 -34.4 17.5 1.4 13 14 A L E -A 6 0A 15 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.3 -0.883 8.5-147.6-105.5 112.4 -33.1 21.1 0.8 14 15 A N - 0 0 45 -2,-0.6 4,-0.4 -9,-0.2 -9,-0.1 -0.615 4.3-159.0 -73.1 134.6 -34.9 23.2 -1.8 15 16 A L S S+ 0 0 3 -11,-0.5 -1,-0.1 -2,-0.3 5,-0.1 0.314 80.2 53.5 -99.7 5.8 -32.4 25.6 -3.5 16 17 A N S S+ 0 0 50 -15,-0.1 -1,-0.1 -14,-0.1 3,-0.1 0.735 94.4 59.8-111.5 -30.2 -34.8 28.2 -4.8 17 18 A E S S- 0 0 127 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.902 115.2 -12.6 -72.1 -40.3 -37.0 29.4 -1.9 18 19 A K S S- 0 0 76 -4,-0.4 2,-0.4 243,-0.1 -1,-0.2 -0.983 73.5 -85.4-154.4 160.5 -34.1 30.7 0.3 19 20 A T - 0 0 3 -2,-0.3 2,-0.5 233,-0.2 220,-0.2 -0.640 50.6-128.7 -65.6 123.3 -30.4 31.0 1.0 20 21 A L E -b 239 0B 5 218,-2.7 220,-2.0 -2,-0.4 2,-0.6 -0.678 16.6-144.1 -84.2 123.9 -29.5 27.9 3.0 21 22 A I E -b 240 0B 2 -2,-0.5 34,-3.4 32,-0.4 35,-1.3 -0.784 9.1-162.0 -93.6 116.8 -27.6 28.7 6.2 22 23 A M E -bc 241 56B 0 218,-2.8 220,-2.1 -2,-0.6 2,-0.4 -0.882 13.5-147.6 -97.8 117.7 -24.9 26.1 7.3 23 24 A G E -bc 242 57B 0 33,-3.0 35,-3.1 -2,-0.6 2,-0.7 -0.686 9.2-130.5 -88.0 133.3 -24.0 26.6 10.9 24 25 A I E - c 0 58B 17 218,-2.0 2,-0.3 -2,-0.4 35,-0.1 -0.744 24.1-145.5 -84.6 114.5 -20.4 25.8 12.1 25 26 A L 0 0 13 33,-2.2 35,-0.4 -2,-0.7 17,-0.1 -0.572 360.0 360.0 -82.3 139.8 -20.4 23.6 15.2 26 27 A N 0 0 160 -2,-0.3 -1,-0.1 15,-0.2 16,-0.1 0.261 360.0 360.0 -56.3 360.0 -17.9 23.8 18.0 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 31 A D > 0 0 92 0, 0.0 3,-0.5 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 113.0 -11.6 18.2 25.4 29 32 A S T 3 + 0 0 101 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.366 360.0 45.1 -77.0 164.6 -8.3 17.2 27.1 30 33 A F T 3 S+ 0 0 226 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.568 107.1 78.8 75.8 13.2 -8.0 14.0 29.2 31 34 A S < - 0 0 29 -3,-0.5 -1,-0.1 1,-0.1 3,-0.1 -0.996 62.9-154.1-157.1 141.3 -9.8 12.1 26.4 32 35 A D S S- 0 0 84 1,-0.3 2,-0.1 -2,-0.3 -1,-0.1 0.470 81.2 -53.6 -92.0 -6.2 -9.4 10.6 22.9 33 36 A G S S+ 0 0 23 36,-0.1 -1,-0.3 -5,-0.1 36,-0.2 -0.427 104.7 62.1 142.2 147.8 -13.1 11.1 22.2 34 37 A G + 0 0 13 35,-0.3 260,-0.9 1,-0.2 261,-0.1 0.145 57.9 156.3 107.9 -18.0 -16.7 10.5 23.4 35 38 A S B > -J 293 0C 29 258,-0.2 4,-2.0 1,-0.1 5,-0.3 0.166 52.5-120.5 -44.4 158.3 -16.9 12.4 26.7 36 39 A Y H > S+ 0 0 12 256,-1.2 4,-1.3 257,-0.2 5,-0.2 0.833 113.5 50.6 -69.5 -32.8 -20.1 13.7 28.3 37 40 A N H > S+ 0 0 101 3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 112.7 44.6 -70.8 -46.4 -18.7 17.3 28.2 38 41 A E H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.973 118.2 39.1 -58.6 -62.1 -17.7 17.3 24.5 39 42 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.831 117.2 50.5 -71.1 -30.6 -20.8 15.7 23.0 40 43 A D H X S+ 0 0 30 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.929 110.4 48.6 -71.1 -43.4 -23.2 17.5 25.3 41 44 A A H X S+ 0 0 57 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.882 112.8 50.2 -62.4 -36.2 -21.6 20.9 24.5 42 45 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.892 110.4 48.5 -66.0 -42.8 -21.8 20.0 20.8 43 46 A V H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.896 108.9 53.3 -66.6 -39.5 -25.5 19.0 21.1 44 47 A R H X S+ 0 0 157 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.886 112.1 46.7 -63.1 -37.3 -26.4 22.3 23.0 45 48 A H H X S+ 0 0 31 -4,-1.6 4,-2.9 -5,-0.2 5,-0.2 0.925 110.9 49.1 -71.1 -45.5 -24.8 24.2 20.1 46 49 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.931 112.8 50.0 -56.2 -46.1 -26.5 22.2 17.4 47 50 A K H X S+ 0 0 82 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.907 112.0 47.1 -58.4 -48.3 -29.8 22.8 19.2 48 51 A E H X S+ 0 0 101 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.953 111.9 49.1 -58.5 -53.8 -29.2 26.5 19.5 49 52 A M H <>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.3 4,-0.3 0.897 110.3 52.2 -57.2 -42.4 -28.1 26.9 15.9 50 53 A R H ><5S+ 0 0 85 -4,-2.5 3,-1.0 1,-0.2 -1,-0.3 0.900 108.7 51.2 -56.3 -43.1 -31.3 25.0 14.8 51 54 A D H 3<5S+ 0 0 116 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 110.1 49.3 -69.1 -28.0 -33.4 27.3 16.9 52 55 A E T 3<5S- 0 0 59 -4,-1.8 -1,-0.2 -3,-0.2 197,-0.2 0.271 130.3 -74.7-104.5 14.1 -31.9 30.5 15.4 53 56 A G T < 5S+ 0 0 27 -3,-1.0 -32,-0.4 -4,-0.3 -3,-0.2 0.349 74.6 144.5 125.9 -4.7 -32.2 29.7 11.7 54 57 A A < - 0 0 5 -5,-2.1 -1,-0.3 1,-0.1 -32,-0.2 -0.289 25.4-171.8 -67.4 150.6 -29.6 27.1 10.5 55 58 A H S S+ 0 0 36 -34,-3.4 2,-0.3 1,-0.3 -33,-0.2 0.503 74.0 28.0-116.3 -15.8 -30.6 24.6 7.8 56 59 A I E -c 22 0B 1 -35,-1.3 -33,-3.0 27,-0.1 2,-0.5 -0.984 69.1-140.3-147.8 142.0 -27.4 22.4 8.0 57 60 A I E -cd 23 85B 1 27,-2.1 29,-2.6 -2,-0.3 2,-0.6 -0.943 14.3-150.4-109.3 127.4 -25.0 21.7 10.8 58 61 A D E -cd 24 86B 1 -35,-3.1 -33,-2.2 -2,-0.5 2,-0.6 -0.855 11.9-170.6-103.3 114.0 -21.2 21.4 9.9 59 62 A I E d 0 87B 0 27,-3.0 29,-2.5 -2,-0.6 -33,-0.1 -0.895 360.0 360.0-112.4 116.9 -19.2 19.1 12.1 60 63 A G 0 0 73 -2,-0.6 -1,-0.1 -35,-0.4 29,-0.1 -0.104 360.0 360.0-158.9 360.0 -15.4 19.2 11.7 61 ! 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 62 75 A S > 0 0 107 0, 0.0 4,-2.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.4 -4.2 12.2 13.4 63 76 A V H > + 0 0 51 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.845 360.0 49.9 -64.8 -38.2 -6.6 9.9 11.4 64 77 A E H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 114.5 47.1 -63.4 -46.4 -7.4 7.4 14.2 65 78 A E H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.898 104.6 58.7 -58.7 -49.5 -8.2 10.4 16.5 66 79 A E H X S+ 0 0 52 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.892 108.7 46.1 -53.2 -44.1 -10.4 12.2 14.0 67 80 A I H X S+ 0 0 25 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.922 113.1 47.6 -65.4 -45.8 -12.7 9.3 13.8 68 81 A K H < S+ 0 0 98 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.678 118.2 43.5 -74.4 -18.6 -12.9 8.7 17.6 69 82 A R H X S+ 0 0 72 -4,-2.0 4,-0.7 -36,-0.2 -35,-0.3 0.890 121.0 35.6 -80.9 -52.4 -13.6 12.4 18.1 70 83 A V H X S+ 0 0 4 -4,-2.8 4,-1.6 -5,-0.2 3,-0.2 0.827 105.5 63.3 -85.5 -34.1 -16.1 13.1 15.4 71 84 A V H X S+ 0 0 21 -4,-2.2 4,-2.4 -5,-0.3 3,-0.4 0.922 101.8 51.0 -55.8 -50.4 -18.2 9.9 15.1 72 85 A P H > S+ 0 0 28 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.831 110.1 52.0 -59.7 -32.2 -19.7 10.2 18.7 73 86 A M H X S+ 0 0 19 -4,-0.7 4,-2.1 -3,-0.2 -2,-0.2 0.822 109.5 47.8 -70.1 -35.0 -20.7 13.8 17.9 74 87 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.4 5,-0.3 0.910 109.1 53.6 -74.0 -42.0 -22.5 12.9 14.7 75 88 A Q H X S+ 0 0 92 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.892 114.9 41.7 -55.6 -44.3 -24.4 10.0 16.4 76 89 A A H X S+ 0 0 4 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.929 115.9 45.6 -72.1 -48.4 -25.6 12.4 19.1 77 90 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.859 113.3 48.6 -69.3 -37.1 -26.5 15.4 17.0 78 91 A S H < S+ 0 0 30 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.765 113.4 49.6 -73.7 -26.7 -28.3 13.4 14.3 79 92 A K H < S+ 0 0 167 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.882 123.6 29.4 -72.0 -40.5 -30.3 11.6 17.0 80 93 A E H < S+ 0 0 41 -4,-2.1 2,-0.4 1,-0.1 -2,-0.2 0.516 113.4 58.3-107.4 -8.2 -31.3 14.8 18.7 81 94 A V S < S- 0 0 1 -4,-2.2 2,-1.9 -5,-0.1 -1,-0.1 -0.972 70.1-141.3-128.8 119.7 -31.4 17.6 16.1 82 95 A K + 0 0 139 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.483 67.2 98.2 -82.0 76.7 -33.8 17.3 13.1 83 96 A L S S- 0 0 24 -2,-1.9 -27,-0.1 -6,-0.2 -2,-0.1 -0.986 79.2 -92.5-162.9 141.0 -31.4 18.8 10.5 84 97 A P - 0 0 3 0, 0.0 -27,-2.1 0, 0.0 2,-0.4 -0.366 40.7-145.8 -67.5 143.2 -28.9 17.5 7.8 85 98 A I E -d 57 0B 0 17,-0.3 19,-2.4 -29,-0.2 20,-1.6 -0.908 8.5-159.0-114.8 136.6 -25.3 17.1 8.9 86 99 A S E -de 58 105B 0 -29,-2.6 -27,-3.0 -2,-0.4 2,-0.6 -0.912 13.0-138.1-112.0 144.6 -22.1 17.7 7.0 87 100 A I E -de 59 106B 1 18,-2.2 20,-2.2 -2,-0.4 2,-1.4 -0.883 10.4-147.7-104.5 118.1 -18.7 16.2 7.8 88 101 A D E + e 0 107B 33 -29,-2.5 2,-0.3 -2,-0.6 20,-0.2 -0.661 52.3 115.5 -89.6 85.8 -15.9 18.6 7.4 89 102 A T - 0 0 2 -2,-1.4 21,-0.2 18,-0.7 18,-0.2 -0.956 53.4-156.8-144.4 159.8 -13.0 16.4 6.3 90 103 A Y + 0 0 80 -2,-0.3 2,-0.5 18,-0.2 28,-0.2 0.236 69.1 102.6-113.5 7.4 -10.7 15.7 3.3 91 104 A K > - 0 0 31 1,-0.1 4,-2.1 27,-0.1 5,-0.2 -0.800 63.7-147.6-101.7 129.3 -10.0 12.1 4.4 92 105 A A H > S+ 0 0 11 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.924 98.8 47.2 -56.2 -51.1 -11.6 9.2 2.7 93 106 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 112.2 49.5 -63.2 -39.7 -11.7 7.0 5.7 94 107 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 109.8 52.1 -66.1 -39.6 -13.1 9.7 8.1 95 108 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.925 108.8 49.9 -63.1 -46.0 -15.9 10.6 5.5 96 109 A K H >X S+ 0 0 82 -4,-2.1 4,-2.5 1,-0.2 3,-0.5 0.967 111.7 49.0 -54.3 -55.6 -17.0 6.9 5.3 97 110 A Q H 3X S+ 0 0 57 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.888 109.9 51.4 -48.2 -50.6 -17.1 6.7 9.2 98 111 A A H 3<>S+ 0 0 0 -4,-2.3 5,-3.9 2,-0.2 -1,-0.2 0.791 110.2 46.9 -64.6 -34.2 -19.1 9.9 9.5 99 112 A I H X<5S+ 0 0 22 -4,-1.8 3,-0.8 -3,-0.5 -1,-0.2 0.872 112.6 51.1 -75.8 -37.5 -21.8 8.8 7.0 100 113 A E H 3<5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.943 110.3 49.0 -57.9 -49.3 -22.0 5.5 8.7 101 114 A A T 3<5S- 0 0 14 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.479 137.8 -86.2 -72.2 -2.9 -22.4 7.3 12.0 102 115 A G T < 5S+ 0 0 25 -3,-0.8 -17,-0.3 1,-0.3 -3,-0.3 0.462 73.1 148.4 119.6 0.5 -25.1 9.4 10.3 103 116 A A < - 0 0 3 -5,-3.9 -1,-0.3 -8,-0.1 -17,-0.2 -0.473 28.0-161.7 -71.0 141.5 -23.7 12.4 8.4 104 117 A H + 0 0 13 -19,-2.4 2,-0.3 -2,-0.2 -18,-0.2 0.623 66.6 34.4 -97.7 -21.7 -25.6 13.5 5.3 105 118 A I E -e 86 0B 2 -20,-1.6 -18,-2.2 22,-0.2 2,-0.3 -0.991 69.8-133.2-142.4 137.9 -23.2 15.6 3.2 106 119 A I E -ef 87 129B 0 22,-2.9 24,-2.2 -2,-0.3 2,-0.4 -0.756 13.7-162.5 -95.5 149.7 -19.5 15.5 2.7 107 120 A N E -ef 88 130B 6 -20,-2.2 2,-0.7 -2,-0.3 -18,-0.7 -0.775 9.1-176.0-135.4 91.1 -17.5 18.7 3.0 108 121 A D E > - f 0 131B 0 22,-1.8 24,-1.8 -2,-0.4 3,-1.4 -0.769 16.9-168.9-101.6 112.3 -14.0 18.5 1.4 109 122 A I T 3 S+ 0 0 39 -2,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.483 91.6 51.3 -76.1 -1.7 -11.6 21.5 1.8 110 123 A W T > S- 0 0 75 -21,-0.2 3,-2.1 5,-0.1 -1,-0.3 0.246 105.2-125.6-116.3 12.1 -9.3 20.0 -0.8 111 124 A G T < - 0 0 0 -3,-1.4 46,-0.2 1,-0.3 20,-0.1 0.859 69.9 -55.3 45.5 50.3 -11.9 19.3 -3.5 112 125 A A T 3 S+ 0 0 0 1,-0.1 -1,-0.3 3,-0.1 7,-0.2 0.570 120.2 105.1 63.7 13.6 -11.0 15.6 -3.8 113 126 A K S < S+ 0 0 71 -3,-2.1 -2,-0.1 2,-0.1 -1,-0.1 0.775 73.2 52.1 -92.4 -30.0 -7.4 16.4 -4.5 114 127 A A S S+ 0 0 43 1,-0.2 -1,-0.1 -4,-0.2 -23,-0.1 0.911 133.0 7.7 -70.6 -43.8 -5.9 15.4 -1.1 115 128 A E > - 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