==== 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 3H2N . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 529 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 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 . 48 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 6 0 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 4 3 7 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 0 173 0, 0.0 2,-0.5 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -50.3 -89.9 70.0 76.1 2 3 A W - 0 0 33 1,-0.1 14,-0.1 2,-0.0 13,-0.0 -0.892 360.0-162.5 -93.8 134.6 -86.5 69.2 77.8 3 4 A D S S+ 0 0 147 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 0.312 70.2 43.5-101.6 8.9 -85.2 66.1 76.2 4 5 A Y S S- 0 0 29 168,-0.0 11,-0.4 3,-0.0 2,-0.2 -0.938 77.3-120.5-143.8 162.4 -82.7 65.5 79.0 5 6 A D - 0 0 72 -2,-0.3 2,-0.9 9,-0.1 9,-0.2 -0.680 37.4-101.8 -97.8 155.6 -82.6 65.5 82.8 6 7 A L E -A 13 0A 1 7,-3.2 7,-2.7 -2,-0.2 2,-0.7 -0.716 37.6-144.8 -82.3 110.7 -80.2 67.7 84.9 7 8 A R E +A 12 0A 113 -2,-0.9 5,-0.2 5,-0.2 3,-0.1 -0.667 28.4 168.4 -78.2 114.7 -77.5 65.4 86.0 8 9 A C E > -A 11 0A 3 3,-2.2 3,-1.9 -2,-0.7 2,-0.6 -0.337 48.6-115.7-119.7 48.2 -76.2 66.2 89.5 9 10 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 101,-0.1 101,-0.0 -0.400 106.5 21.1 55.9-103.5 -74.1 63.1 90.2 10 11 A E T 3 S+ 0 0 132 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.3 0.891 131.1 45.9 -55.2 -43.5 -75.9 61.6 93.1 11 12 A Y E < -A 8 0A 38 -3,-1.9 -3,-2.2 78,-0.0 2,-0.4 -0.728 66.9-154.2-108.5 153.3 -79.2 63.4 92.3 12 13 A T E -A 7 0A 68 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.993 7.4-153.3-124.1 134.6 -81.1 64.0 89.1 13 14 A L E -A 6 0A 15 -7,-2.7 -7,-3.2 -2,-0.4 2,-0.4 -0.908 8.8-144.0-111.9 115.8 -83.4 66.9 88.5 14 15 A N > - 0 0 43 -2,-0.6 4,-0.6 -9,-0.2 -9,-0.1 -0.604 7.2-163.6 -72.3 128.2 -86.3 66.6 86.0 15 16 A L T 4 S+ 0 0 4 -11,-0.4 -1,-0.1 -2,-0.4 5,-0.1 0.545 82.5 47.7 -89.8 -10.9 -86.9 69.9 84.1 16 17 A N T 4 S+ 0 0 51 -14,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.737 98.2 65.2-101.2 -27.1 -90.4 69.1 82.7 17 18 A E T 4 S- 0 0 116 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.941 112.6 -21.1 -70.5 -50.0 -92.2 67.8 85.8 18 19 A K S < S- 0 0 75 -4,-0.6 2,-0.3 226,-0.1 -1,-0.2 -0.964 72.8 -81.5-151.9 165.9 -92.3 70.9 88.0 19 20 A T - 0 0 2 -2,-0.3 2,-0.4 239,-0.1 226,-0.2 -0.643 52.3-130.7 -67.7 130.1 -90.6 74.3 88.7 20 21 A L E -b 245 0B 5 224,-2.3 226,-1.8 -2,-0.3 2,-0.5 -0.772 15.9-140.5 -93.7 131.9 -87.6 73.5 90.7 21 22 A I E -b 246 0B 3 -2,-0.4 34,-2.8 32,-0.3 35,-1.4 -0.808 8.0-158.9-101.9 121.9 -87.2 75.5 94.0 22 23 A M E -bc 247 56B 0 224,-3.2 226,-2.2 -2,-0.5 2,-0.3 -0.911 13.5-147.8-103.7 117.1 -83.7 76.7 95.0 23 24 A G E -bc 248 57B 0 33,-2.9 35,-2.8 -2,-0.7 2,-0.8 -0.647 12.4-130.7 -86.1 132.8 -83.6 77.5 98.7 24 25 A I E - c 0 58B 13 224,-2.0 2,-0.8 -2,-0.3 35,-0.1 -0.758 15.8-147.2 -90.2 114.4 -81.3 80.3 99.8 25 26 A L E - c 0 59B 6 33,-2.4 35,-0.7 -2,-0.8 2,-0.6 -0.721 9.4-141.8 -82.3 112.6 -79.1 79.2 102.7 26 27 A N - 0 0 86 -2,-0.8 2,-0.8 33,-0.1 19,-0.1 -0.659 11.8-160.7 -71.0 113.5 -78.3 82.3 104.9 27 28 A V - 0 0 24 -2,-0.6 36,-0.1 33,-0.2 -1,-0.1 -0.510 11.3-176.6-102.1 60.0 -74.7 81.7 105.9 28 29 A T - 0 0 100 -2,-0.8 13,-0.1 10,-0.1 14,-0.1 -0.450 23.2-136.6 -63.4 103.6 -74.6 84.0 109.0 29 30 A P - 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.204 1.4-128.0 -70.6 151.3 -70.9 83.8 110.1 30 31 A D - 0 0 56 5,-0.0 2,-1.7 1,-0.0 5,-0.0 -0.557 34.9-106.1 -70.4 153.7 -69.5 83.5 113.7 31 32 A S 0 0 137 -2,-0.2 -1,-0.0 1,-0.0 0, 0.0 -0.675 360.0 360.0 -79.1 79.4 -66.9 86.0 114.7 32 33 A F 0 0 109 -2,-1.7 -1,-0.0 3,-0.0 0, 0.0 -0.704 360.0 360.0 162.4 360.0 -64.3 83.0 114.4 33 ! 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 34 37 A G 0 0 44 0, 0.0 270,-1.6 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 34.1 -66.1 76.1 110.7 35 38 A S B > -J 303 0C 26 268,-0.2 4,-1.7 269,-0.1 268,-0.2 0.015 360.0-115.1 -65.6 167.6 -67.6 76.8 114.1 36 39 A Y H > S+ 0 0 9 266,-1.1 4,-2.5 2,-0.2 5,-0.3 0.883 107.8 51.6 -73.6 -51.1 -70.6 74.9 115.6 37 40 A N H > S+ 0 0 99 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.919 116.6 42.4 -56.5 -38.8 -73.3 77.7 115.9 38 41 A E H > S+ 0 0 9 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.930 119.3 41.5 -74.8 -43.2 -72.7 78.7 112.2 39 42 A V H X S+ 0 0 2 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.833 120.2 45.3 -72.5 -28.8 -72.5 75.1 110.8 40 43 A D H X S+ 0 0 15 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.845 111.5 50.3 -83.8 -33.4 -75.4 73.9 113.0 41 44 A A H X S+ 0 0 47 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.878 113.9 47.7 -70.8 -34.9 -77.6 76.9 112.3 42 45 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.843 109.9 51.0 -69.4 -41.3 -77.0 76.3 108.6 43 46 A V H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.873 111.6 48.4 -64.9 -37.2 -77.7 72.5 108.7 44 47 A R H X S+ 0 0 137 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.859 110.7 51.9 -75.1 -30.5 -81.0 73.2 110.5 45 48 A H H X S+ 0 0 36 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.922 108.5 48.8 -71.1 -40.8 -81.9 75.8 107.9 46 49 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.887 111.5 51.9 -59.0 -43.2 -81.2 73.5 105.0 47 50 A K H X S+ 0 0 65 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.885 107.6 50.8 -62.7 -45.7 -83.4 70.9 106.8 48 51 A E H X S+ 0 0 106 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.984 113.0 46.3 -57.0 -51.4 -86.2 73.3 107.2 49 52 A M H X>S+ 0 0 2 -4,-2.5 5,-2.5 1,-0.2 4,-0.6 0.855 109.0 53.8 -61.7 -38.2 -86.0 74.2 103.5 50 53 A R H ><5S+ 0 0 91 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.947 112.1 47.0 -55.5 -48.0 -85.9 70.5 102.5 51 54 A D H 3<5S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.719 107.6 56.1 -65.4 -26.3 -89.0 70.0 104.5 52 55 A E H 3<5S- 0 0 63 -4,-1.6 -1,-0.2 -5,-0.1 203,-0.2 0.437 129.8 -87.0 -84.2 -8.6 -90.8 73.1 103.0 53 56 A G T <<5S+ 0 0 29 -3,-1.0 -32,-0.3 -4,-0.6 -3,-0.2 0.559 71.6 154.5 116.7 17.9 -90.3 71.8 99.4 54 57 A A < - 0 0 6 -5,-2.5 -1,-0.3 1,-0.1 -32,-0.2 -0.527 24.8-169.1 -74.2 146.3 -86.8 73.0 98.2 55 58 A H S S+ 0 0 33 -34,-2.8 2,-0.3 1,-0.3 -33,-0.2 0.577 73.6 25.5-108.2 -14.9 -85.1 71.0 95.5 56 59 A I E -c 22 0B 1 -35,-1.4 -33,-2.9 33,-0.2 2,-0.5 -0.974 69.3-139.6-149.3 140.9 -81.6 72.5 95.7 57 60 A I E -cd 23 91B 0 33,-2.6 35,-2.2 -2,-0.3 2,-0.6 -0.969 16.1-150.8-105.5 123.9 -79.8 74.3 98.6 58 61 A D E -cd 24 92B 1 -35,-2.8 -33,-2.4 -2,-0.5 2,-0.5 -0.846 12.6-168.0 -96.7 112.7 -77.8 77.4 97.5 59 62 A I E -cd 25 93B 0 33,-2.4 35,-2.5 -2,-0.6 2,-0.4 -0.895 4.6-171.0-110.1 118.4 -74.8 78.1 99.7 60 63 A G E - d 0 94B 20 -35,-0.7 3,-0.2 -2,-0.5 -33,-0.2 -0.875 21.0-169.9-115.7 137.6 -72.9 81.4 99.5 61 64 A G S S+ 0 0 3 33,-0.7 2,-0.5 -2,-0.4 -1,-0.1 0.804 83.0 41.0 -88.3 -33.2 -69.6 82.6 101.0 62 65 A E S S- 0 0 50 32,-0.5 2,-0.8 5,-0.0 -1,-0.2 -0.824 71.4-163.2-121.9 88.5 -69.6 86.4 100.1 63 66 A S - 0 0 120 -2,-0.5 2,-0.1 -3,-0.2 -37,-0.0 -0.659 18.0-133.8 -80.2 107.4 -73.1 88.0 100.6 64 67 A T 0 0 94 -2,-0.8 -1,-0.0 1,-0.1 -2,-0.0 -0.324 360.0 360.0 -52.3 124.9 -73.4 91.5 98.8 65 68 A R 0 0 154 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.138 360.0 360.0-168.2 360.0 -75.0 94.4 100.8 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 0 100 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 108.0 -63.7 88.8 101.6 68 75 A S > - 0 0 46 1,-0.1 4,-2.2 4,-0.0 3,-0.5 -0.457 360.0-126.4 -72.1 141.0 -60.3 87.0 101.0 69 76 A V H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.873 110.0 53.0 -52.9 -47.4 -60.3 83.8 98.8 70 77 A E H > S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.868 113.9 45.5 -55.9 -39.0 -58.5 81.7 101.4 71 78 A E H > S+ 0 0 94 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.824 102.0 61.0 -74.2 -41.3 -61.2 82.7 103.9 72 79 A E H X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.859 107.4 49.5 -57.9 -36.6 -64.3 82.2 101.7 73 80 A I H X S+ 0 0 26 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.919 107.6 51.6 -67.7 -46.4 -63.2 78.5 101.4 74 81 A K H < S+ 0 0 121 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 115.4 43.8 -63.7 -30.9 -62.8 78.1 105.2 75 82 A R H X S+ 0 0 71 -4,-2.1 4,-0.6 2,-0.1 -1,-0.2 0.851 123.0 34.1 -77.1 -36.2 -66.3 79.5 105.7 76 83 A V H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.853 105.9 63.9 -97.7 -31.7 -68.0 77.6 103.0 77 84 A V H X S+ 0 0 24 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.923 103.4 49.5 -60.7 -46.8 -66.3 74.2 102.8 78 85 A P H > S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.898 111.2 52.4 -58.8 -36.5 -67.4 73.2 106.4 79 86 A M H X S+ 0 0 1 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.893 108.4 47.1 -66.5 -42.2 -70.9 74.2 105.5 80 87 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.859 111.7 52.5 -64.9 -40.8 -71.1 72.1 102.3 81 88 A Q H X S+ 0 0 95 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.911 113.2 43.2 -59.6 -47.1 -69.7 69.0 104.2 82 89 A A H X S+ 0 0 7 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.918 118.9 42.3 -69.1 -40.8 -72.3 69.3 106.9 83 90 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 6,-0.2 0.894 113.1 50.1 -75.3 -39.6 -75.3 69.9 104.6 84 91 A S H < S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.753 116.2 44.3 -71.9 -20.8 -74.4 67.4 101.9 85 92 A K H < S+ 0 0 133 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.842 124.1 33.6 -85.5 -36.2 -74.0 64.7 104.6 86 93 A E H < S+ 0 0 56 -4,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.578 117.5 50.3-102.5 -16.4 -77.0 65.6 106.6 87 94 A V S < S- 0 0 1 -4,-2.5 2,-1.8 -5,-0.1 -1,-0.2 -0.976 70.4-142.8-131.3 119.1 -79.5 66.8 103.8 88 95 A K + 0 0 115 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.330 64.2 104.8 -79.7 58.8 -80.2 64.7 100.6 89 96 A L S S- 0 0 23 -2,-1.8 -33,-0.2 -6,-0.2 -2,-0.1 -0.922 78.3 -96.1-132.4 149.2 -80.6 67.7 98.1 90 97 A P - 0 0 3 0, 0.0 -33,-2.6 0, 0.0 2,-0.5 -0.457 39.6-143.0 -66.5 148.2 -78.2 68.9 95.5 91 98 A I E -d 57 0B 0 17,-0.3 19,-3.4 -35,-0.2 20,-1.7 -0.951 9.9-160.7-116.7 130.4 -76.1 71.8 96.6 92 99 A S E -de 58 111B 0 -35,-2.2 -33,-2.4 -2,-0.5 2,-0.6 -0.782 14.4-138.0-103.6 151.3 -75.1 74.7 94.5 93 100 A I E -de 59 112B 0 18,-2.3 20,-2.7 -2,-0.3 2,-1.5 -0.955 7.3-146.5-116.9 121.1 -72.2 76.9 95.5 94 101 A D E +d 60 0B 31 -35,-2.5 -33,-0.7 -2,-0.6 -32,-0.5 -0.637 54.0 113.5 -91.9 80.2 -72.7 80.6 95.0 95 102 A T - 0 0 2 -2,-1.5 21,-0.1 18,-0.4 18,-0.1 -0.927 50.2-160.3-134.9 163.2 -69.2 81.8 94.1 96 103 A Y + 0 0 68 -2,-0.3 2,-0.4 18,-0.2 28,-0.2 0.396 69.2 101.1-112.1 -7.8 -67.5 83.4 90.9 97 104 A K > - 0 0 19 1,-0.1 4,-2.6 23,-0.1 5,-0.2 -0.616 67.4-145.1 -83.3 127.7 -64.0 82.4 92.1 98 105 A A H > S+ 0 0 11 -2,-0.4 4,-2.9 1,-0.2 -1,-0.1 0.864 97.9 48.1 -63.5 -39.1 -62.5 79.3 90.4 99 106 A E H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.848 111.6 50.0 -69.7 -36.3 -60.6 78.1 93.5 100 107 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.962 112.2 47.8 -66.6 -50.8 -63.6 78.5 95.8 101 108 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.955 110.8 52.8 -51.5 -54.3 -65.8 76.6 93.2 102 109 A K H X S+ 0 0 77 -4,-2.9 4,-1.6 1,-0.2 3,-0.3 0.939 112.9 41.9 -45.5 -64.2 -63.0 73.9 93.0 103 110 A Q H X S+ 0 0 62 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.901 111.1 57.1 -50.1 -49.3 -62.9 73.3 96.8 104 111 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.4 0.860 108.2 46.5 -50.9 -46.3 -66.7 73.5 97.2 105 112 A I H ><5S+ 0 0 20 -4,-2.3 3,-0.5 -3,-0.3 -1,-0.2 0.828 111.5 50.8 -66.9 -36.0 -67.2 70.6 94.7 106 113 A E H 3<5S+ 0 0 107 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.839 109.4 52.8 -63.1 -37.3 -64.5 68.5 96.4 107 114 A A T 3<5S- 0 0 17 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.558 136.7 -84.3 -79.5 -8.5 -66.3 69.2 99.7 108 115 A G T < 5S+ 0 0 24 -3,-0.5 -17,-0.3 -4,-0.4 -3,-0.2 0.432 76.7 142.0 122.4 4.2 -69.6 67.9 98.1 109 116 A A < - 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