==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-11 3TYB . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR M.-K.YUN,S.W.WHITE . 526 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.0 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 37.1 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 1 3 2 0 0 2 0 2 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 5 6 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 1 A M 0 0 125 0, 0.0 16,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 109.0 -91.9 67.7 77.5 2 2 A K + 0 0 125 1,-0.1 2,-0.5 14,-0.1 15,-0.1 0.826 360.0 58.0 -72.1 -31.9 -90.0 70.9 76.7 3 3 A W - 0 0 25 1,-0.1 -1,-0.1 2,-0.0 13,-0.1 -0.884 59.6-171.5-112.2 122.5 -86.9 69.4 78.1 4 4 A D S S+ 0 0 154 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 0.153 73.0 54.1 -96.1 16.1 -85.5 66.1 76.7 5 5 A Y S S- 0 0 31 167,-0.0 11,-0.3 3,-0.0 2,-0.2 -0.986 72.8-132.6-146.0 151.0 -82.9 65.8 79.5 6 6 A D - 0 0 81 -2,-0.3 2,-0.7 9,-0.1 9,-0.2 -0.636 34.6-103.1 -93.7 161.2 -82.8 65.8 83.4 7 7 A L E -A 14 0A 1 7,-3.0 7,-3.0 -2,-0.2 2,-0.5 -0.794 34.7-147.0 -89.5 116.6 -80.4 67.8 85.4 8 8 A R E +A 13 0A 135 -2,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.725 25.5 168.0 -87.9 121.7 -77.7 65.6 86.7 9 9 A C E > -A 12 0A 2 3,-2.1 3,-1.6 -2,-0.5 2,-0.1 -0.548 54.2 -97.2-132.7 67.1 -76.3 66.5 90.2 10 10 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.4 -2,-0.1 100,-0.0 -0.364 108.9 5.6 56.6-124.4 -74.2 63.5 91.3 11 11 A E T 3 S+ 0 0 125 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.864 129.7 59.5 -57.9 -39.8 -76.3 61.5 93.6 12 12 A Y E < -A 9 0A 34 -3,-1.6 -3,-2.1 -4,-0.0 2,-0.4 -0.624 66.2-158.0 -95.6 152.5 -79.5 63.5 93.0 13 13 A T E -A 8 0A 69 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.992 6.3-151.0-130.9 130.0 -81.3 64.2 89.7 14 14 A L E -A 7 0A 16 -7,-3.0 -7,-3.0 -2,-0.4 2,-0.2 -0.878 6.6-147.1-111.7 119.2 -83.6 67.1 89.0 15 15 A N - 0 0 47 -2,-0.6 4,-0.4 -9,-0.2 -9,-0.1 -0.555 4.9-163.7 -81.5 140.9 -86.5 66.9 86.5 16 16 A L S S+ 0 0 4 -11,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.545 81.3 53.6-105.4 -7.2 -87.5 70.0 84.6 17 17 A N S S+ 0 0 47 -14,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.804 98.3 61.6 -95.4 -31.0 -90.9 69.1 83.3 18 18 A E S S- 0 0 118 1,-0.2 2,-0.3 -17,-0.0 -2,-0.1 0.893 111.5 -15.8 -68.8 -53.3 -92.7 68.1 86.5 19 19 A K S S- 0 0 77 -4,-0.4 2,-0.3 225,-0.1 -1,-0.2 -0.987 71.2 -89.1-150.6 154.5 -92.7 71.2 88.7 20 20 A T - 0 0 2 -2,-0.3 2,-0.3 238,-0.2 225,-0.2 -0.575 53.6-129.9 -59.8 124.6 -91.1 74.6 89.2 21 21 A L E -b 245 0B 8 223,-2.4 225,-2.0 -2,-0.3 2,-0.5 -0.664 14.9-139.4 -90.5 138.3 -88.1 73.8 91.3 22 22 A I E -b 246 0B 2 32,-0.3 34,-2.3 -2,-0.3 35,-1.7 -0.823 8.1-159.9-106.0 127.6 -87.5 75.9 94.5 23 23 A M E -bc 247 57B 1 223,-3.4 225,-2.2 -2,-0.5 2,-0.5 -0.931 14.8-148.4-105.8 121.2 -84.0 77.0 95.6 24 24 A G E -bc 248 58B 0 33,-2.5 35,-2.2 -2,-0.6 2,-0.5 -0.779 13.8-127.6 -94.9 123.0 -83.9 77.9 99.3 25 25 A I E - c 0 59B 13 223,-2.0 2,-0.6 -2,-0.5 35,-0.1 -0.571 16.1-158.8 -72.7 118.7 -81.5 80.7 100.3 26 26 A L E - c 0 60B 2 33,-2.5 35,-1.3 -2,-0.5 17,-0.1 -0.917 10.2-154.6 -99.4 120.3 -79.2 79.7 103.1 27 27 A N - 0 0 87 -2,-0.6 -1,-0.1 33,-0.1 34,-0.1 0.899 8.5-140.3 -65.9 -67.2 -78.0 82.9 104.8 28 28 A V - 0 0 18 1,-0.2 35,-0.1 11,-0.1 12,-0.1 0.631 16.6-169.6 107.8 25.9 -74.5 82.4 106.5 29 29 A T 0 0 113 1,-0.2 -1,-0.2 10,-0.1 14,-0.1 -0.205 360.0 360.0 -45.1 110.7 -74.8 84.5 109.8 30 30 A P 0 0 88 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.727 360.0 360.0 -89.9 360.0 -71.1 84.5 111.1 31 ! 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 32 34 A S 0 0 105 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 29.4 -67.0 84.4 114.9 33 35 A D - 0 0 90 1,-0.1 42,-0.0 42,-0.0 0, 0.0 0.829 360.0 -83.5 -66.4 -41.0 -63.7 82.8 113.6 34 36 A G S S+ 0 0 28 -4,-0.1 -1,-0.1 41,-0.1 268,-0.1 0.396 100.9 24.5 130.1 96.4 -65.2 80.3 111.1 35 37 A G S S+ 0 0 11 1,-0.2 268,-2.0 40,-0.1 266,-0.1 0.326 73.3 146.4 117.7 -4.8 -66.6 76.8 111.7 36 38 A S B > -J 302 0C 41 266,-0.2 4,-1.6 267,-0.1 5,-0.2 0.080 61.7 -97.6 -59.0 174.0 -67.7 76.9 115.4 37 39 A Y H > S+ 0 0 15 264,-1.0 4,-2.3 1,-0.2 5,-0.2 0.886 116.1 51.2 -66.2 -44.5 -70.7 75.0 116.7 38 40 A N H > S+ 0 0 126 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.852 110.8 49.1 -64.3 -39.4 -73.4 77.8 116.7 39 41 A E H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.995 117.2 36.7 -62.5 -65.0 -72.7 78.8 113.1 40 42 A V H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.799 116.9 54.9 -66.2 -28.7 -72.9 75.4 111.5 41 43 A D H X S+ 0 0 20 -4,-2.3 4,-2.1 -5,-0.2 3,-0.3 0.983 109.1 45.7 -64.4 -55.5 -75.7 74.2 113.8 42 44 A A H X S+ 0 0 51 -4,-2.1 4,-0.9 1,-0.3 -2,-0.2 0.798 112.6 52.5 -59.8 -31.7 -78.0 77.2 112.9 43 45 A A H X S+ 0 0 5 -4,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.892 108.2 51.1 -69.9 -40.0 -77.2 76.6 109.3 44 46 A V H X S+ 0 0 3 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.903 109.2 46.4 -69.2 -42.8 -78.1 73.0 109.5 45 47 A R H X S+ 0 0 131 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.754 111.1 55.1 -75.4 -17.8 -81.5 73.3 111.1 46 48 A H H X S+ 0 0 42 -4,-0.9 4,-1.5 -5,-0.3 -1,-0.2 0.842 109.9 45.0 -77.6 -36.1 -82.3 76.1 108.6 47 49 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.876 112.8 51.8 -71.7 -38.2 -81.6 73.8 105.7 48 50 A K H X S+ 0 0 75 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.941 109.6 50.1 -61.5 -44.9 -83.6 71.1 107.5 49 51 A E H X S+ 0 0 101 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.856 110.1 49.6 -61.8 -37.5 -86.5 73.5 107.8 50 52 A M H <>S+ 0 0 1 -4,-1.5 5,-2.0 2,-0.2 3,-0.5 0.837 107.2 53.7 -74.9 -32.8 -86.4 74.4 104.2 51 53 A R H ><5S+ 0 0 90 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.921 108.4 52.8 -61.4 -41.7 -86.3 70.8 103.1 52 54 A D H 3<5S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 105.7 53.3 -68.0 -18.9 -89.4 70.4 105.1 53 55 A E T 3<5S- 0 0 65 -4,-0.7 -1,-0.3 -3,-0.5 202,-0.2 0.324 129.4 -79.1-107.4 4.6 -91.3 73.2 103.5 54 56 A G T < 5S+ 0 0 29 -3,-1.2 -32,-0.3 -4,-0.3 -3,-0.2 0.507 74.3 150.3 116.8 10.8 -90.9 72.2 99.8 55 57 A A < - 0 0 5 -5,-2.0 -1,-0.3 1,-0.1 -32,-0.2 -0.482 26.1-171.8 -78.5 144.5 -87.3 73.2 98.7 56 58 A H S S+ 0 0 34 -34,-2.3 2,-0.3 1,-0.2 -33,-0.2 0.653 71.5 27.5-106.9 -23.8 -85.5 71.2 96.1 57 59 A I E -c 23 0B 2 -35,-1.7 -33,-2.5 32,-0.1 2,-0.5 -0.966 66.3-139.7-135.4 151.6 -82.0 72.8 96.3 58 60 A I E -cd 24 91B 0 32,-2.3 34,-2.6 -2,-0.3 2,-0.6 -0.974 14.6-156.3-114.7 124.2 -80.0 74.6 99.0 59 61 A D E -cd 25 92B 1 -35,-2.2 -33,-2.5 -2,-0.5 2,-0.7 -0.863 7.4-165.5-104.8 112.1 -78.0 77.7 98.1 60 62 A I E -cd 26 93B 0 32,-2.5 34,-2.1 -2,-0.6 2,-0.5 -0.858 10.1-177.4-107.1 115.1 -75.1 78.4 100.3 61 63 A G - 0 0 6 -35,-1.3 2,-0.2 -2,-0.7 34,-0.1 -0.922 21.9-160.2-127.3 110.6 -73.5 81.8 100.0 62 64 A G S S+ 0 0 8 -2,-0.5 2,-0.1 32,-0.2 -34,-0.1 -0.495 78.1 17.9 -62.6 149.9 -70.5 83.5 101.7 63 65 A E - 0 0 74 -2,-0.2 2,-0.3 -35,-0.1 -2,-0.1 -0.326 64.7-177.0 69.6-161.3 -70.9 87.3 101.3 64 66 A S 0 0 105 -2,-0.1 -2,-0.0 1,-0.0 -37,-0.0 -0.862 360.0 360.0 150.7-168.3 -74.2 89.1 100.4 65 67 A T 0 0 183 -2,-0.3 -2,-0.0 0, 0.0 -1,-0.0 0.026 360.0 360.0-171.5 360.0 -74.8 92.8 99.8 66 ! 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 67 74 A V 0 0 142 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.5 -63.3 89.6 102.1 68 75 A S > - 0 0 48 1,-0.1 4,-2.5 2,-0.1 5,-0.1 -0.159 360.0-149.4 -53.1 129.6 -60.4 87.1 102.0 69 76 A V H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.923 101.9 52.7 -58.2 -46.7 -60.4 84.3 99.4 70 77 A E H > S+ 0 0 149 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.751 115.2 41.3 -62.8 -28.1 -58.5 82.0 101.9 71 78 A E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.801 101.5 66.5 -92.5 -34.5 -61.0 82.7 104.6 72 79 A E H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.863 105.1 49.1 -52.3 -38.1 -64.2 82.5 102.4 73 80 A I H X S+ 0 0 19 -4,-1.3 4,-3.1 2,-0.2 -1,-0.2 0.949 107.5 51.6 -66.6 -50.5 -63.3 78.8 102.1 74 81 A K H < S+ 0 0 125 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.751 114.7 46.2 -58.5 -27.5 -62.7 78.3 105.9 75 82 A R H X S+ 0 0 49 -4,-1.9 4,-0.6 2,-0.1 -1,-0.2 0.943 123.1 29.5 -72.8 -52.2 -66.2 79.9 106.4 76 83 A V H X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.666 103.9 70.7 -97.6 -23.4 -68.2 78.0 103.8 77 84 A V H >X S+ 0 0 25 -4,-3.1 4,-2.0 -5,-0.2 3,-0.6 0.974 100.9 47.2 -57.4 -55.4 -66.4 74.6 103.4 78 85 A P H 3> S+ 0 0 31 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.845 107.8 58.9 -59.3 -35.1 -67.6 73.3 106.9 79 86 A M H 3X S+ 0 0 1 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.909 107.9 43.3 -56.5 -48.4 -71.1 74.4 106.1 80 87 A I H X S+ 0 0 6 -4,-1.8 4,-2.1 -5,-0.2 3,-0.5 0.959 114.6 45.8 -73.3 -54.0 -72.5 69.3 107.3 83 90 A V H 3X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.836 110.4 52.2 -61.3 -40.1 -75.6 70.0 105.3 84 91 A S H 3< S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.785 113.2 47.3 -70.0 -25.4 -74.9 67.4 102.6 85 92 A K H << S+ 0 0 163 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.877 123.3 31.8 -77.3 -38.0 -74.4 64.9 105.4 86 93 A E H < S+ 0 0 45 -4,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.586 117.7 49.0-103.9 -12.8 -77.6 65.8 107.2 87 94 A V S < S- 0 0 0 -4,-2.7 2,-1.5 -5,-0.2 -1,-0.2 -0.911 71.9-143.3-133.3 105.5 -80.0 66.9 104.4 88 95 A K + 0 0 123 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.506 65.8 100.0 -70.6 91.1 -80.4 64.7 101.4 89 96 A L S S- 0 0 27 -2,-1.5 -32,-0.1 -5,-0.1 -2,-0.1 -0.920 79.0 -89.7-173.8 139.9 -80.8 67.5 98.7 90 97 A P - 0 0 2 0, 0.0 -32,-2.3 0, 0.0 2,-0.4 -0.364 37.5-146.2 -68.4 144.7 -78.4 69.1 96.2 91 98 A I E -d 58 0B 0 17,-0.3 19,-4.2 -34,-0.2 20,-1.4 -0.917 7.8-160.9-113.9 134.3 -76.3 72.0 97.3 92 99 A S E -de 59 111B 0 -34,-2.6 -32,-2.5 -2,-0.4 2,-0.5 -0.831 14.6-135.7-107.6 154.8 -75.3 74.9 95.1 93 100 A I E -de 60 112B 1 18,-2.2 20,-2.4 -2,-0.3 2,-1.5 -0.947 5.7-145.7-120.2 121.2 -72.4 77.3 96.0 94 101 A D E + e 0 113B 31 -34,-2.1 2,-0.3 -2,-0.5 -32,-0.2 -0.609 54.3 112.3 -92.4 81.1 -72.9 81.0 95.6 95 102 A T - 0 0 4 -2,-1.5 21,-0.2 18,-0.6 18,-0.1 -0.919 50.7-159.8-138.1 165.5 -69.4 82.3 94.5 96 103 A Y + 0 0 52 -2,-0.3 25,-0.3 18,-0.2 2,-0.2 0.463 67.4 103.7-110.5 -15.9 -67.7 83.8 91.5 97 104 A K > - 0 0 21 1,-0.1 4,-1.8 23,-0.1 24,-0.0 -0.495 64.9-145.1 -80.6 131.3 -64.2 82.8 92.7 98 105 A A H > S+ 0 0 14 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.928 97.4 46.7 -60.8 -53.3 -62.5 79.8 91.0 99 106 A E H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.843 108.9 56.6 -58.9 -38.5 -60.7 78.5 94.0 100 107 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.946 106.1 49.4 -60.8 -48.9 -63.7 78.7 96.2 101 108 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.926 106.3 54.7 -58.9 -51.1 -65.9 76.6 94.0 102 109 A K H X S+ 0 0 81 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.904 109.4 48.9 -46.5 -48.0 -63.4 73.8 93.7 103 110 A Q H X S+ 0 0 65 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.916 111.8 49.8 -58.4 -45.5 -63.2 73.5 97.5 104 111 A A H X>S+ 0 0 1 -4,-1.9 5,-2.7 2,-0.2 4,-2.0 0.897 108.3 48.9 -66.6 -49.4 -67.0 73.4 97.7 105 112 A I H <5S+ 0 0 23 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.905 115.7 46.6 -58.1 -39.2 -67.7 70.7 95.2 106 113 A E H <5S+ 0 0 123 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.695 109.6 53.1 -77.4 -17.7 -65.0 68.7 97.0 107 114 A A H <5S- 0 0 15 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.757 138.6 -83.2 -79.2 -26.8 -66.6 69.6 100.3 108 115 A G T <5S+ 0 0 20 -4,-2.0 -17,-0.3 1,-0.2 -3,-0.2 0.257 79.6 141.4 148.4 -16.0 -69.9 68.3 98.8 109 116 A A < - 0 0 4 -5,-2.7 -1,-0.2 -8,-0.1 -17,-0.2 -0.115 29.6-164.8 -58.9 152.8 -71.6 71.0 96.7 110 117 A H + 0 0 18 -19,-4.2 2,-0.3 1,-0.2 -18,-0.2 0.614 63.7 36.4-116.7 -19.3 -73.4 70.0 93.5 111 118 A I E -e 92 0B 3 -20,-1.4 -18,-2.2 22,-0.2 2,-0.4 -0.991 68.0-132.5-140.3 141.4 -74.0 73.2 91.4 112 119 A I E -ef 93 135B 0 22,-2.2 24,-3.0 -2,-0.3 2,-0.4 -0.820 14.4-166.4 -95.4 141.1 -72.1 76.3 90.9 113 120 A N E -ef 94 136B 4 -20,-2.4 2,-0.6 -2,-0.4 -18,-0.6 -0.862 9.7-176.6-128.0 96.7 -73.9 79.6 91.2 114 121 A D E > - f 0 137B 0 22,-2.0 24,-1.7 -2,-0.4 3,-1.6 -0.827 17.5-165.3-106.1 112.1 -71.8 82.5 89.7 115 122 A I T 3 S+ 0 0 29 -2,-0.6 -1,-0.1 1,-0.3 -19,-0.1 0.457 91.6 52.1 -79.9 1.3 -73.2 86.0 90.0 116 123 A W T >> S- 0 0 70 -21,-0.2 3,-3.0 24,-0.1 4,-0.7 0.059 105.0-125.1-119.4 24.2 -70.7 87.3 87.5 117 124 A G T <4 - 0 0 0 -3,-1.6 46,-0.2 1,-0.3 47,-0.1 0.789 69.2 -57.4 36.3 51.8 -71.4 84.7 84.7 118 125 A A T 34 S+ 0 0 0 1,-0.1 -1,-0.3 3,-0.1 7,-0.1 0.479 122.6 101.8 61.6 6.5 -67.8 83.5 84.4 119 126 A K T <4 S+ 0 0 76 -3,-3.0 -2,-0.2 2,-0.1 -1,-0.1 0.783 73.4 58.1 -84.7 -30.5 -66.7 87.1 83.6 120 127 A A S < S+ 0 0 40 -4,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.950 132.1 1.7 -62.1 -54.0 -65.3 87.7 87.2 121 128 A E > - 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