==== 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 LIGASE 01-SEP-09 3IVG . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.L.SILVESTRE,A.W.HUNG,S.WEN,A.CIULLI,T.L.BLUNDELL,C.ABELL . 563 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.4 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 . 3 0.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 45 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 0 2 0 0 0 1 3 1 6 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 3 A I 0 0 125 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 127.3 -5.2 22.0 19.5 2 4 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 10,-0.0 -0.260 360.0 -66.0 -69.2 176.3 -2.8 24.7 18.4 3 5 A A - 0 0 64 2,-0.0 2,-0.4 -2,-0.0 18,-0.1 -0.426 50.5-175.2 -60.5 135.1 -3.7 26.9 15.4 4 6 A F - 0 0 38 -2,-0.1 94,-0.1 -3,-0.1 5,-0.0 -0.929 5.7-165.1-131.1 115.6 -4.0 25.1 12.1 5 7 A H > - 0 0 103 -2,-0.4 3,-1.6 92,-0.2 -2,-0.0 -0.878 18.6-135.2-101.2 105.6 -4.7 27.3 9.0 6 8 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.203 87.7 25.3 -56.7 146.1 -5.8 25.3 6.0 7 9 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 88,-0.2 88,-0.0 0.384 111.0 88.4 81.7 -2.4 -4.2 26.1 2.6 8 10 A E S < S- 0 0 118 -3,-1.6 2,-0.7 89,-0.1 -1,-0.2 -0.862 88.5 -99.6-122.1 156.1 -1.2 27.5 4.4 9 11 A L - 0 0 31 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.704 37.7-165.9 -78.0 115.9 2.1 26.0 5.7 10 12 A N E -a 98 0A 11 87,-3.0 89,-2.8 -2,-0.7 2,-0.5 -0.920 4.5-157.5-102.4 122.3 1.7 25.4 9.4 11 13 A V E -a 99 0A 66 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.923 11.8-178.8-108.6 122.4 5.0 24.7 11.2 12 14 A Y E +a 100 0A 15 87,-2.7 89,-2.5 -2,-0.5 -2,-0.0 -0.980 17.8 175.7-119.4 135.4 5.1 22.8 14.5 13 15 A S + 0 0 58 -2,-0.4 90,-0.5 87,-0.2 -1,-0.1 0.694 63.2 81.9 -98.8 -31.7 8.2 21.9 16.6 14 16 A A S > S- 0 0 41 1,-0.2 4,-1.7 88,-0.1 3,-0.4 -0.648 70.9-144.4 -81.4 126.2 6.4 20.3 19.6 15 17 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.900 101.9 56.5 -50.4 -42.3 5.5 16.7 19.1 16 18 A G H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 104.9 52.5 -61.1 -38.6 2.3 17.3 21.2 17 19 A D H > S+ 0 0 65 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.937 113.3 41.1 -60.4 -52.9 1.2 20.1 18.8 18 20 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.863 115.0 52.8 -64.8 -36.0 1.5 18.0 15.6 19 21 A A H X S+ 0 0 26 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.917 112.1 44.5 -65.5 -44.4 -0.0 15.0 17.4 20 22 A D H X S+ 0 0 70 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.972 115.4 47.0 -66.3 -50.1 -3.1 17.1 18.5 21 23 A V H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.875 113.8 49.6 -54.5 -44.5 -3.5 18.8 15.1 22 24 A S H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.881 110.9 47.4 -63.6 -43.4 -3.2 15.4 13.3 23 25 A R H X S+ 0 0 133 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.893 112.7 50.1 -68.1 -42.5 -5.7 13.6 15.6 24 26 A A H X S+ 0 0 26 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.864 110.8 49.5 -65.6 -38.2 -8.2 16.4 15.2 25 27 A L H ><>S+ 0 0 15 -4,-2.1 5,-1.9 -5,-0.2 3,-1.1 0.943 110.9 49.3 -65.4 -46.3 -7.8 16.4 11.4 26 28 A R H ><5S+ 0 0 66 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.907 108.2 54.1 -57.8 -39.9 -8.3 12.6 11.2 27 29 A L H 3<5S+ 0 0 115 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.673 104.6 55.7 -71.8 -15.1 -11.4 13.0 13.4 28 30 A T T <<5S- 0 0 101 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.378 126.0 -98.8 -92.1 1.3 -12.7 15.5 10.8 29 31 A G T < 5S+ 0 0 64 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.406 79.6 132.8 95.3 -0.9 -12.4 13.1 8.0 30 32 A R < - 0 0 65 -5,-1.9 2,-0.5 28,-0.0 -1,-0.3 -0.585 54.6-128.9 -77.6 146.4 -9.1 14.2 6.5 31 33 A R E -b 58 0A 91 26,-1.9 28,-2.5 -2,-0.2 2,-0.6 -0.871 20.8-136.0 -95.2 127.4 -6.6 11.4 5.7 32 34 A V E -b 59 0A 0 -2,-0.5 119,-2.4 26,-0.2 120,-1.3 -0.707 18.0-167.5 -91.2 121.1 -3.2 12.2 7.1 33 35 A M E -bc 60 152A 0 26,-2.9 28,-3.1 -2,-0.6 2,-0.4 -0.865 4.9-158.2-104.5 133.8 -0.1 11.5 4.9 34 36 A L E -bc 61 153A 0 118,-2.2 120,-2.5 -2,-0.4 28,-0.2 -0.974 12.9-176.8-116.7 131.9 3.5 11.5 6.4 35 37 A V E -b 62 0A 0 26,-2.4 28,-1.7 -2,-0.4 2,-0.4 -0.934 18.2-156.7-118.7 95.2 6.7 12.1 4.4 36 38 A P E +b 63 0A 19 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.667 24.1 164.9 -77.8 127.5 9.6 11.7 6.9 37 39 A T E -b 64 0A 12 26,-1.7 28,-1.6 -2,-0.4 3,-0.1 -0.924 48.0-136.1-137.3 164.5 12.7 13.5 5.7 38 40 A M - 0 0 33 1,-0.4 26,-0.1 -2,-0.3 28,-0.1 0.048 58.6-116.6-107.2 27.5 16.0 14.7 7.0 39 41 A G S S+ 0 0 2 24,-0.4 -1,-0.4 1,-0.1 3,-0.1 -0.315 83.0 109.5 69.9-161.0 15.6 18.1 5.2 40 42 A A - 0 0 1 1,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.954 67.7-154.4 51.2 55.0 17.8 19.3 2.4 41 43 A L + 0 0 10 42,-0.2 2,-0.2 4,-0.1 -1,-0.2 -0.352 23.9 168.9 -72.8 134.6 14.8 18.7 0.1 42 44 A H > - 0 0 41 -3,-0.1 4,-1.6 -2,-0.1 3,-0.4 -0.681 55.4 -74.8-130.1-176.0 15.3 18.0 -3.6 43 45 A E H > S+ 0 0 79 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.741 126.7 62.3 -59.2 -27.5 13.1 16.7 -6.4 44 46 A G H > S+ 0 0 14 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.964 106.6 44.8 -58.5 -54.7 13.1 13.2 -5.0 45 47 A H H > S+ 0 0 30 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.857 109.2 56.7 -53.9 -39.2 11.4 14.4 -1.8 46 48 A L H X S+ 0 0 5 -4,-1.6 4,-3.1 1,-0.2 -1,-0.2 0.893 101.0 57.3 -69.5 -32.1 9.0 16.5 -3.9 47 49 A A H X S+ 0 0 20 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 107.4 48.7 -58.2 -38.8 7.9 13.3 -5.7 48 50 A L H X S+ 0 0 15 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.926 111.6 49.1 -67.3 -43.8 7.0 11.9 -2.3 49 51 A V H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.950 111.0 49.9 -58.3 -50.7 5.0 15.1 -1.4 50 52 A R H X S+ 0 0 82 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.902 109.2 51.5 -55.9 -42.4 3.2 14.9 -4.8 51 53 A A H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.875 112.7 45.9 -61.3 -42.3 2.2 11.3 -4.2 52 54 A A H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.878 109.0 56.2 -66.7 -42.5 0.9 12.1 -0.8 53 55 A K H 3< S+ 0 0 93 -4,-2.8 5,-0.3 1,-0.3 -2,-0.2 0.811 100.4 58.8 -59.9 -33.8 -1.0 15.2 -2.2 54 56 A R T 3< S+ 0 0 179 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.501 75.6 104.5 -83.5 -1.4 -2.9 13.1 -4.7 55 57 A V S X S- 0 0 9 -3,-1.3 3,-2.0 -4,-0.2 -24,-0.1 -0.703 88.7-108.0 -71.9 118.5 -4.4 10.9 -2.1 56 58 A P T 3 S+ 0 0 94 0, 0.0 -25,-0.1 0, 0.0 -2,-0.1 -0.230 98.4 7.8 -57.3 132.2 -8.0 12.3 -2.0 57 59 A G T 3 S+ 0 0 47 1,-0.2 -26,-1.9 -4,-0.1 -3,-0.1 0.617 95.9 157.5 74.6 10.6 -8.8 14.3 1.1 58 60 A S E < -b 31 0A 15 -3,-2.0 2,-0.4 -5,-0.3 -26,-0.2 -0.334 34.3-160.4 -66.8 142.9 -5.2 14.1 2.2 59 61 A V E -b 32 0A 0 -28,-2.5 -26,-2.9 -37,-0.0 2,-0.5 -0.989 25.4-137.6-110.6 137.1 -3.6 16.6 4.6 60 62 A V E -b 33 0A 3 -2,-0.4 38,-1.8 35,-0.2 2,-0.5 -0.848 18.5-169.6-106.9 128.3 0.2 16.3 4.1 61 63 A V E -bd 34 98A 0 -28,-3.1 -26,-2.4 -2,-0.5 2,-0.6 -0.954 3.2-169.8-110.4 117.6 2.7 16.3 7.0 62 64 A V E -bd 35 99A 0 36,-2.7 38,-2.7 -2,-0.5 2,-0.4 -0.944 9.0-155.8-103.6 123.3 6.4 16.6 6.1 63 65 A S E -bd 36 100A 1 -28,-1.7 -26,-1.7 -2,-0.6 2,-0.4 -0.792 7.8-169.9 -97.4 143.5 8.8 16.0 8.9 64 66 A I E +b 37 0A 24 36,-2.5 2,-0.3 -2,-0.4 -26,-0.2 -0.982 27.3 139.3-131.1 112.1 12.3 17.4 8.8 65 67 A F - 0 0 13 -28,-1.6 2,-1.0 -2,-0.4 -26,-0.1 -0.873 45.4-142.5-161.4 114.5 14.6 16.1 11.5 66 68 A V - 0 0 24 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.797 31.5-143.4 -84.5 106.1 18.2 15.2 11.2 67 69 A N > - 0 0 2 -2,-1.0 3,-1.5 1,-0.2 4,-0.3 -0.597 14.9-162.4 -81.6 106.4 18.2 12.1 13.4 68 70 A P G > S+ 0 0 38 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.805 83.5 69.4 -56.2 -26.9 21.3 11.8 15.4 69 71 A M G 3 S+ 0 0 25 1,-0.3 67,-0.3 67,-0.2 68,-0.2 0.680 94.8 51.7 -72.5 -19.9 20.6 8.1 16.2 70 72 A Q G < S+ 0 0 22 -3,-1.5 2,-0.3 66,-0.3 -1,-0.3 0.341 94.4 89.9 -96.9 5.5 21.2 6.9 12.6 71 73 A F < - 0 0 25 -3,-1.6 3,-0.1 -4,-0.3 65,-0.0 -0.747 64.7-150.0-102.1 151.0 24.6 8.5 12.3 72 74 A G S S+ 0 0 71 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.961 77.6 16.7 -83.1 -73.3 27.8 6.8 13.3 73 75 A A S > S- 0 0 62 1,-0.1 4,-1.5 0, 0.0 3,-0.4 -0.690 75.5-118.4 -97.2 155.2 30.1 9.6 14.4 74 76 A G H > S+ 0 0 43 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.750 113.9 70.1 -54.2 -28.0 29.1 13.2 15.3 75 77 A G H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 99.2 44.9 -53.9 -55.0 31.4 14.1 12.3 76 78 A D H > S+ 0 0 102 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.902 113.7 52.1 -46.1 -54.8 28.8 12.6 9.9 77 79 A L H >< S+ 0 0 36 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.907 109.1 47.0 -55.0 -49.9 26.1 14.4 11.8 78 80 A D H 3< S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.1 52.7 -63.4 -35.4 27.7 17.9 11.7 79 81 A A H 3< S+ 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.649 79.9 116.3 -75.2 -19.1 28.4 17.5 7.9 80 82 A Y S << S- 0 0 47 -4,-1.0 2,-0.1 -3,-0.6 -40,-0.1 -0.266 77.9-102.7 -55.3 133.9 24.8 16.6 7.0 81 83 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.371 38.6-172.6 -62.7 130.8 23.3 19.3 4.7 82 84 A R + 0 0 120 -2,-0.1 -43,-0.1 -3,-0.1 -44,-0.0 -0.985 21.7 152.2-126.6 120.7 20.9 21.7 6.4 83 85 A T > + 0 0 34 -2,-0.5 4,-2.5 1,-0.1 3,-0.3 -0.484 7.9 162.2-140.4 61.8 19.0 24.1 4.2 84 86 A P H > S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.783 71.8 55.1 -66.5 -24.7 15.8 24.8 6.3 85 87 A D H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 111.1 43.5 -71.7 -45.3 14.8 28.0 4.5 86 88 A D H > S+ 0 0 104 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 112.9 56.8 -61.9 -42.8 14.8 26.3 1.0 87 89 A D H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.938 109.5 41.6 -55.2 -56.2 13.0 23.4 2.6 88 90 A L H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.842 113.3 54.1 -61.5 -37.1 10.1 25.4 3.9 89 91 A A H X S+ 0 0 48 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.907 108.5 49.1 -64.9 -42.6 9.9 27.4 0.7 90 92 A Q H X S+ 0 0 61 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.890 110.5 51.2 -61.3 -37.8 9.6 24.3 -1.3 91 93 A L H X>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.2 4,-0.6 0.935 109.2 49.9 -67.6 -43.7 6.9 23.0 1.0 92 94 A R H ><5S+ 0 0 147 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.918 109.8 51.5 -54.3 -47.3 4.9 26.2 0.6 93 95 A A H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.854 108.7 51.7 -61.0 -38.1 5.2 26.0 -3.2 94 96 A E H 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.539 114.7-115.6 -76.7 -7.6 3.9 22.4 -3.1 95 97 A G T <<5 + 0 0 30 -3,-1.2 -35,-0.2 -4,-0.6 -3,-0.2 0.602 55.0 163.6 82.4 10.7 0.8 23.3 -1.0 96 98 A V < - 0 0 2 -5,-1.8 -1,-0.2 -6,-0.2 3,-0.1 -0.425 23.8-163.0 -59.6 131.6 1.9 21.2 2.0 97 99 A E + 0 0 23 -37,-0.5 -87,-3.0 1,-0.2 2,-0.5 0.712 67.1 46.2 -94.6 -24.1 -0.1 22.3 5.1 98 100 A I E +ad 10 61A 0 -38,-1.8 -36,-2.7 -89,-0.2 2,-0.4 -0.966 51.7 179.7-127.2 122.8 2.0 20.8 7.9 99 101 A A E -ad 11 62A 0 -89,-2.8 -87,-2.7 -2,-0.5 2,-0.6 -0.971 14.1-159.4-106.2 133.8 5.8 20.9 8.5 100 102 A F E +ad 12 63A 0 -38,-2.7 -36,-2.5 -2,-0.4 -87,-0.2 -0.943 16.6 170.5-117.6 108.2 6.9 19.1 11.6 101 103 A T - 0 0 36 -89,-2.5 -36,-0.1 -2,-0.6 -38,-0.1 -0.686 13.6-174.0-120.3 73.7 10.4 20.3 12.7 102 104 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -88,-0.1 -0.336 23.0-118.4 -71.3 154.9 11.1 18.8 16.2 103 105 A T > - 0 0 74 -90,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.466 24.0-116.7 -77.9 155.5 14.1 19.6 18.3 104 106 A T H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.910 117.9 55.2 -57.5 -39.9 16.6 16.8 19.3 105 107 A A H 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.877 107.1 49.2 -65.3 -36.7 15.6 17.5 23.0 106 108 A A H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.873 116.8 40.8 -70.5 -37.2 11.9 16.9 22.2 107 109 A M H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.820 131.0 24.7 -76.5 -36.0 12.5 13.7 20.3 108 110 A Y >< + 0 0 33 -4,-2.8 3,-1.5 -5,-0.2 -1,-0.2 -0.451 66.6 151.0-129.2 60.5 15.1 12.3 22.7 109 111 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.724 83.8 39.4 -67.1 -20.1 14.5 13.9 26.1 110 112 A D T 3 S- 0 0 87 1,-0.5 -5,-0.1 -3,-0.1 340,-0.0 0.177 109.8-127.3-110.7 17.0 15.9 10.8 27.9 111 113 A G < - 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