==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 17-JUL-12 4G5F . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.L.SILVESTRE,T.L.BLUNDELL,C.ABELL,A.CIULLI . 554 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 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 . 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 . 49 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 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 1 0 0 0 1 3 2 5 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 1 1 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 4 A P 0 0 92 0, 0.0 2,-0.1 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 142.2 -2.4 24.8 18.8 2 5 A A - 0 0 60 2,-0.0 2,-0.3 1,-0.0 18,-0.1 -0.309 360.0-164.6 -65.2 148.8 -3.7 26.7 15.7 3 6 A F - 0 0 48 -2,-0.1 91,-0.0 6,-0.0 5,-0.0 -0.797 2.2-170.5-135.9 95.7 -4.3 25.2 12.2 4 7 A H > - 0 0 104 -2,-0.3 3,-1.1 89,-0.1 -2,-0.0 -0.762 27.6-141.2 -80.3 105.4 -4.7 27.7 9.4 5 8 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.191 80.5 29.1 -73.4 163.2 -5.8 25.3 6.6 6 9 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 85,-0.1 -2,-0.0 0.432 113.0 90.5 62.2 -3.2 -4.7 25.7 3.0 7 10 A E S < S- 0 0 117 -3,-1.1 2,-0.7 86,-0.1 -1,-0.2 -0.763 89.8-101.5-111.6 164.9 -1.6 27.2 4.6 8 11 A L - 0 0 23 -2,-0.3 2,-0.5 -3,-0.1 86,-0.2 -0.801 35.6-164.9 -90.3 115.5 1.7 25.7 5.8 9 12 A N E -a 94 0A 13 84,-3.0 86,-2.4 -2,-0.7 2,-0.6 -0.888 4.7-154.5 -97.8 123.7 1.6 25.2 9.6 10 13 A V E -a 95 0A 63 -2,-0.5 2,-0.4 84,-0.2 86,-0.2 -0.897 13.9-179.7-105.3 118.4 5.0 24.6 11.3 11 14 A Y E +a 96 0A 16 84,-2.5 86,-2.1 -2,-0.6 -2,-0.0 -0.981 14.4 176.5-118.6 132.8 5.0 22.7 14.6 12 15 A S + 0 0 56 -2,-0.4 87,-0.6 84,-0.2 -1,-0.1 0.653 61.0 81.4-101.2 -27.8 8.1 21.9 16.6 13 16 A A S >> S- 0 0 42 1,-0.1 4,-1.5 85,-0.1 3,-0.6 -0.685 73.5-139.8 -83.7 130.3 6.6 20.3 19.7 14 17 A P H 3> S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.923 103.4 56.9 -50.8 -46.2 5.7 16.6 19.3 15 18 A G H 3> S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 102.8 53.5 -49.1 -43.1 2.5 17.3 21.4 16 19 A D H <> S+ 0 0 65 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.873 112.9 41.3 -70.5 -39.4 1.2 20.1 18.9 17 20 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.2 -1,-0.2 0.838 113.4 54.7 -76.0 -28.3 1.4 17.9 15.8 18 21 A A H X S+ 0 0 29 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.944 113.1 42.4 -66.2 -47.1 0.0 14.9 17.7 19 22 A D H X S+ 0 0 100 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.942 117.1 44.9 -62.4 -51.6 -3.0 17.0 18.8 20 23 A V H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.891 114.2 51.7 -59.6 -44.3 -3.5 18.7 15.4 21 24 A S H X S+ 0 0 1 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.904 112.4 44.3 -54.7 -51.8 -3.1 15.3 13.6 22 25 A R H X S+ 0 0 44 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.898 112.7 51.8 -63.4 -42.6 -5.6 13.5 15.8 23 26 A A H X S+ 0 0 52 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.986 109.7 49.4 -62.5 -50.9 -8.1 16.4 15.5 24 27 A L H <>S+ 0 0 16 -4,-2.8 5,-1.9 1,-0.2 3,-0.4 0.812 113.0 48.3 -55.3 -30.2 -7.8 16.4 11.7 25 28 A R H ><5S+ 0 0 68 -4,-1.4 3,-2.5 1,-0.2 -1,-0.2 0.911 103.7 57.8 -78.7 -42.7 -8.4 12.6 11.7 26 29 A L H 3<5S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.570 106.5 52.6 -62.2 -12.3 -11.4 12.8 14.0 27 30 A T T 3<5S- 0 0 103 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.265 127.2 -99.9-103.6 6.2 -13.0 15.1 11.4 28 31 A G T < 5S+ 0 0 59 -3,-2.5 -3,-0.2 1,-0.3 2,-0.1 0.368 74.4 137.5 94.6 -5.2 -12.3 12.6 8.6 29 32 A R < - 0 0 66 -5,-1.9 2,-0.7 1,-0.1 -1,-0.3 -0.462 54.3-124.5 -66.6 141.5 -9.1 13.9 6.9 30 33 A R E -b 57 0A 86 26,-3.6 28,-2.7 -2,-0.1 2,-0.4 -0.844 22.7-139.2 -97.4 118.9 -6.6 11.2 5.9 31 34 A V E -b 58 0A 0 -2,-0.7 116,-2.3 26,-0.2 117,-1.2 -0.616 17.5-167.2 -84.8 122.0 -3.3 12.0 7.5 32 35 A M E -bc 59 148A 0 26,-3.3 28,-3.4 -2,-0.4 2,-0.5 -0.938 5.1-154.5-112.5 135.3 -0.3 11.3 5.2 33 36 A L E -bc 60 149A 0 115,-2.9 117,-2.8 -2,-0.4 28,-0.2 -0.931 13.2-178.6-113.7 129.5 3.3 11.3 6.6 34 37 A V E -b 61 0A 1 26,-3.1 28,-2.3 -2,-0.5 2,-0.4 -0.909 16.1-157.1-123.4 102.2 6.4 12.0 4.7 35 38 A P E +b 62 0A 19 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.627 22.5 162.9 -84.0 133.7 9.5 11.7 6.8 36 39 A T E -b 63 0A 13 26,-2.0 28,-2.0 -2,-0.4 3,-0.1 -0.931 47.3-136.5-141.3 169.0 12.5 13.5 5.7 37 40 A M - 0 0 39 1,-0.5 26,-0.1 -2,-0.3 28,-0.1 0.032 57.8-121.0-107.3 24.7 15.9 14.8 6.7 38 41 A G S S+ 0 0 3 24,-0.4 -1,-0.5 1,-0.1 153,-0.1 -0.310 81.7 109.4 65.7-155.3 15.4 18.1 5.0 39 42 A A S S- 0 0 1 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.982 70.3-156.4 41.9 62.8 17.6 19.5 2.2 40 43 A L + 0 0 9 39,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.362 24.3 170.6 -80.3 149.9 14.7 18.7 0.0 41 44 A H >> - 0 0 37 -3,-0.1 4,-1.8 -2,-0.1 3,-1.7 -0.812 54.4 -73.5-143.2-175.8 14.8 18.0 -3.7 42 45 A E H 3> S+ 0 0 74 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.745 125.6 63.7 -62.5 -25.2 12.4 16.8 -6.5 43 46 A G H 3> S+ 0 0 16 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.828 106.9 43.7 -66.5 -33.4 12.7 13.2 -5.1 44 47 A H H <> S+ 0 0 30 -3,-1.7 4,-2.1 2,-0.2 3,-0.5 0.861 109.5 56.2 -72.6 -43.2 11.0 14.4 -1.9 45 48 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.3 -2,-0.2 0.825 102.4 55.1 -67.3 -23.5 8.5 16.5 -3.8 46 49 A A H X S+ 0 0 24 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.855 107.0 51.6 -73.9 -29.3 7.4 13.4 -5.7 47 50 A L H X S+ 0 0 10 -4,-0.6 4,-1.1 -3,-0.5 -2,-0.2 0.903 110.5 49.1 -66.1 -43.2 6.8 11.8 -2.3 48 51 A V H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.891 109.8 50.9 -60.8 -44.1 4.7 14.8 -1.3 49 52 A R H X S+ 0 0 89 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.915 105.4 54.1 -69.5 -41.0 2.7 14.7 -4.5 50 53 A A H < S+ 0 0 22 -4,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.819 112.1 48.1 -51.4 -34.4 1.8 10.9 -4.1 51 54 A A H >< S+ 0 0 0 -4,-1.1 3,-1.8 1,-0.2 -2,-0.2 0.939 108.2 52.2 -78.3 -43.0 0.6 11.9 -0.7 52 55 A K H 3< S+ 0 0 90 -4,-2.5 5,-0.3 1,-0.3 -2,-0.2 0.805 100.5 64.2 -58.7 -31.7 -1.5 14.9 -2.0 53 56 A R T 3< S+ 0 0 189 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.580 78.3 96.8 -73.1 -12.6 -3.2 12.7 -4.5 54 57 A V S X S- 0 0 10 -3,-1.8 3,-1.2 -4,-0.2 -24,-0.1 -0.704 88.5-108.8 -80.7 125.7 -4.9 10.6 -1.8 55 58 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -25,-0.1 -0.246 98.1 12.0 -70.3 137.4 -8.4 12.0 -1.3 56 59 A G T 3 S+ 0 0 43 1,-0.2 -26,-3.6 -4,-0.1 2,-0.1 0.699 96.0 163.4 73.2 20.6 -9.2 13.9 1.9 57 60 A S E < -b 30 0A 14 -3,-1.2 2,-0.4 -5,-0.3 -1,-0.2 -0.416 31.1-168.5 -74.8 139.9 -5.4 14.0 2.5 58 61 A V E -b 31 0A 0 -28,-2.7 -26,-3.3 -2,-0.1 2,-0.6 -0.997 23.9-139.1-121.4 134.3 -3.7 16.2 4.9 59 62 A V E -b 32 0A 4 -2,-0.4 35,-1.8 -28,-0.2 2,-0.5 -0.841 18.4-172.3-104.4 123.2 0.0 16.1 4.4 60 63 A V E -bd 33 94A 1 -28,-3.4 -26,-3.1 -2,-0.6 2,-0.5 -0.957 2.8-171.6-107.3 123.4 2.6 16.1 7.1 61 64 A V E -bd 34 95A 1 33,-2.8 35,-2.7 -2,-0.5 2,-0.4 -0.964 10.7-154.1-109.4 126.6 6.2 16.4 6.1 62 65 A S E -bd 35 96A 0 -28,-2.3 -26,-2.0 -2,-0.5 2,-0.5 -0.815 7.0-167.1-101.6 142.6 8.7 15.8 8.9 63 66 A I E +b 36 0A 26 33,-2.5 2,-0.3 -2,-0.4 -26,-0.3 -0.951 28.0 138.9-127.4 109.8 12.2 17.4 8.8 64 67 A F - 0 0 14 -28,-2.0 2,-0.9 -2,-0.5 -26,-0.1 -0.908 45.0-144.2-161.0 121.5 14.6 16.0 11.3 65 68 A V - 0 0 23 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.800 32.4-143.6 -89.7 107.6 18.3 15.2 11.1 66 69 A N >> - 0 0 1 -2,-0.9 3,-1.4 1,-0.2 4,-0.6 -0.612 13.9-160.4 -85.1 109.3 18.3 12.2 13.3 67 70 A P T 34 S+ 0 0 47 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.659 84.7 68.6 -64.8 -6.7 21.4 11.9 15.4 68 71 A M T 34 S+ 0 0 24 1,-0.2 64,-0.4 64,-0.2 65,-0.2 0.775 96.6 48.9 -81.9 -25.0 20.8 8.2 16.1 69 72 A Q T <4 0 0 20 -3,-1.4 -1,-0.2 63,-0.3 64,-0.1 0.564 360.0 360.0 -89.2 -9.7 21.4 6.9 12.5 70 73 A F < 0 0 78 -4,-0.6 3,-0.1 -3,-0.2 56,-0.0 -0.604 360.0 360.0 -86.6 360.0 24.7 8.7 12.0 71 ! 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 72 78 A D > 0 0 95 0, 0.0 4,-0.5 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -48.7 29.1 12.6 9.3 73 79 A L T >4 + 0 0 59 1,-0.2 3,-0.7 2,-0.2 -4,-0.0 0.889 360.0 47.1 -67.8 -45.0 26.3 14.2 11.4 74 80 A D T 34 S+ 0 0 155 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.717 108.2 59.6 -65.8 -24.6 27.9 17.7 11.3 75 81 A A T 34 S+ 0 0 63 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.609 76.6 114.8 -80.2 -17.9 28.4 17.3 7.5 76 82 A Y S << S- 0 0 27 -3,-0.7 2,-0.3 -4,-0.5 -37,-0.1 -0.291 74.9-108.6 -58.5 139.6 24.7 16.8 6.6 77 83 A P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.519 33.2-167.5 -74.7 129.8 23.1 19.6 4.4 78 84 A R + 0 0 124 -2,-0.3 -40,-0.1 -40,-0.1 -41,-0.0 -0.955 22.0 154.1-122.6 116.6 20.7 21.8 6.2 79 85 A T > + 0 0 36 -2,-0.5 4,-3.1 1,-0.1 -39,-0.3 -0.443 4.1 159.2-136.9 65.6 18.5 24.2 4.2 80 86 A P H > S+ 0 0 73 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.853 73.4 54.5 -60.3 -43.2 15.3 25.0 6.1 81 87 A D H > S+ 0 0 134 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.949 116.2 40.3 -55.3 -52.2 14.3 28.3 4.3 82 88 A D H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.968 114.8 52.6 -57.2 -54.0 14.4 26.5 1.0 83 89 A D H X S+ 0 0 3 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.905 113.1 44.7 -49.0 -51.3 12.8 23.3 2.5 84 90 A L H X S+ 0 0 36 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.926 111.8 50.2 -63.6 -49.2 9.9 25.4 3.9 85 91 A A H X S+ 0 0 53 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.856 108.2 55.8 -58.5 -33.3 9.4 27.5 0.7 86 92 A Q H X S+ 0 0 53 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.922 109.3 45.4 -63.0 -40.5 9.3 24.2 -1.2 87 93 A L H X>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 4,-0.8 0.886 109.3 53.9 -74.2 -40.6 6.5 22.8 1.0 88 94 A R H ><5S+ 0 0 144 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.957 108.6 52.6 -47.6 -50.6 4.5 26.1 0.8 89 95 A A H 3<5S+ 0 0 83 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.700 109.3 47.0 -63.8 -24.9 4.8 25.7 -3.0 90 96 A E H 3<5S- 0 0 42 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.541 113.8-118.0 -89.3 -9.3 3.4 22.1 -2.9 91 97 A G T <<5 + 0 0 31 -3,-1.4 2,-0.3 -4,-0.8 -3,-0.2 0.796 50.8 170.5 68.8 29.8 0.6 23.3 -0.7 92 98 A V < - 0 0 1 -5,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.555 22.2-157.3 -62.2 130.3 1.7 21.0 2.2 93 99 A E + 0 0 19 -34,-0.4 -84,-3.0 -2,-0.3 2,-0.4 0.767 67.6 42.9 -88.6 -23.9 -0.3 21.9 5.2 94 100 A I E -ad 9 60A 0 -35,-1.8 -33,-2.8 -86,-0.2 2,-0.5 -0.963 50.5-176.9-135.2 122.2 2.0 20.6 7.9 95 101 A A E -ad 10 61A 0 -86,-2.4 -84,-2.5 -2,-0.4 2,-0.7 -0.955 13.4-160.4-105.1 125.2 5.7 20.7 8.5 96 102 A F E +ad 11 62A 0 -35,-2.7 -33,-2.5 -2,-0.5 -84,-0.2 -0.931 15.7 172.1-107.2 107.4 6.8 18.9 11.7 97 103 A T - 0 0 33 -86,-2.1 -33,-0.1 -2,-0.7 -35,-0.1 -0.725 12.8-171.5-117.8 77.3 10.3 20.1 12.7 98 104 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -85,-0.1 -0.264 20.6-123.3 -68.6 156.7 11.2 18.6 16.2 99 105 A T > - 0 0 73 -87,-0.6 4,-1.6 1,-0.1 5,-0.1 -0.574 24.7-115.6 -87.0 161.5 14.2 19.6 18.3 100 106 A T H > S+ 0 0 75 1,-0.2 4,-3.5 2,-0.2 -1,-0.1 0.897 117.8 54.9 -60.6 -40.6 16.7 16.8 19.3 101 107 A A H 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.852 107.5 48.0 -63.1 -39.5 15.7 17.5 23.0 102 108 A A H 4 S+ 0 0 34 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 119.0 40.6 -73.1 -29.1 12.1 16.9 22.2 103 109 A M H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.827 130.4 25.0 -86.5 -31.0 12.9 13.7 20.3 104 110 A Y >< + 0 0 33 -4,-3.5 3,-2.4 -5,-0.1 -1,-0.2 -0.246 66.6 147.3-128.8 47.5 15.6 12.3 22.7 105 111 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.713 86.9 37.8 -56.6 -19.4 14.8 13.9 26.2 106 112 A D T 3 S- 0 0 84 1,-0.5 2,-0.1 -3,-0.1 -2,-0.1 0.230 107.8-132.0-116.3 15.1 16.2 10.6 27.7 107 113 A G < - 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