==== 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 29-MAR-12 4EF6 . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.L.SILVESTRE,A.CIULLI,C.ABELL,T.BLUNDELL . 566 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.2 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 . 3 0.5 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 . 46 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 29.5 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 3 0 2 0 0 0 2 2 0 8 0 0 2 0 0 0 0 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 2 A A 0 0 50 0, 0.0 24,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 39.2 -6.7 21.9 17.2 2 3 A I + 0 0 148 1,-0.5 2,-0.3 23,-0.0 16,-0.1 -0.406 360.0 37.8 120.1 -46.6 -5.1 22.6 20.7 3 4 A P S S- 0 0 25 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 -0.755 115.7 -76.3-105.7 174.2 -2.5 24.8 18.9 4 5 A A - 0 0 64 -2,-0.3 2,-0.4 -3,-0.1 18,-0.1 -0.494 44.9-173.8 -69.7 134.6 -3.4 27.0 15.9 5 6 A F - 0 0 39 -2,-0.2 94,-0.1 6,-0.0 5,-0.0 -0.927 4.7-170.0-126.8 113.9 -3.9 25.4 12.5 6 7 A H > - 0 0 103 -2,-0.4 3,-1.3 92,-0.2 -2,-0.0 -0.855 20.1-140.0-100.6 107.3 -4.5 27.6 9.5 7 8 A P T 3 S+ 0 0 84 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.196 84.4 29.3 -66.7 154.5 -5.6 25.4 6.4 8 9 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 88,-0.2 89,-0.1 0.503 111.1 85.7 71.2 1.5 -4.2 26.3 3.0 9 10 A E S < S- 0 0 122 -3,-1.3 2,-0.7 89,-0.1 -1,-0.3 -0.870 90.3-100.1-125.8 163.4 -1.1 27.6 4.7 10 11 A L - 0 0 24 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.786 37.4-163.3 -83.4 116.3 2.1 26.0 5.9 11 12 A N E -a 99 0A 12 87,-3.1 89,-2.7 -2,-0.7 2,-0.6 -0.922 4.7-153.6 -99.3 126.2 1.8 25.5 9.7 12 13 A V E +a 100 0A 65 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.904 14.8 178.9-107.0 119.5 5.1 24.8 11.4 13 14 A Y E +a 101 0A 13 87,-2.4 89,-2.6 -2,-0.6 -2,-0.0 -0.970 17.4 173.9-118.3 128.8 5.2 22.9 14.7 14 15 A S + 0 0 60 -2,-0.4 90,-0.4 87,-0.2 -1,-0.1 0.738 61.8 85.6 -94.1 -33.5 8.3 22.0 16.7 15 16 A A > - 0 0 40 1,-0.1 4,-1.9 88,-0.1 3,-0.3 -0.526 69.4-146.1 -74.9 127.8 6.5 20.5 19.7 16 17 A P H > S+ 0 0 23 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.935 103.4 53.6 -53.7 -45.3 5.6 16.7 19.4 17 18 A G H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.837 106.3 53.7 -54.4 -41.8 2.5 17.4 21.5 18 19 A D H > S+ 0 0 60 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.962 113.2 39.4 -59.5 -57.3 1.5 20.2 19.1 19 20 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.886 115.2 55.0 -61.8 -36.7 1.7 18.1 15.8 20 21 A A H X S+ 0 0 28 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.904 110.5 44.4 -63.4 -41.7 0.1 15.1 17.7 21 22 A D H X S+ 0 0 63 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.928 115.8 46.1 -72.9 -44.8 -2.9 17.1 18.8 22 23 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.858 113.4 49.8 -62.7 -42.7 -3.5 18.8 15.5 23 24 A S H X S+ 0 0 1 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.938 113.4 46.0 -60.5 -48.4 -3.0 15.4 13.6 24 25 A R H X S+ 0 0 44 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.901 112.8 50.5 -59.1 -43.5 -5.5 13.7 15.9 25 26 A A H X S+ 0 0 30 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.945 111.5 48.1 -66.7 -43.3 -7.9 16.6 15.6 26 27 A L H ><>S+ 0 0 15 -4,-2.5 5,-1.7 1,-0.2 3,-0.9 0.930 111.1 49.3 -59.2 -47.6 -7.7 16.5 11.8 27 28 A R H ><5S+ 0 0 73 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.899 106.6 56.7 -61.3 -43.6 -8.2 12.7 11.6 28 29 A L H 3<5S+ 0 0 134 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.722 104.4 53.8 -56.4 -26.7 -11.3 13.0 13.9 29 30 A T T <<5S- 0 0 109 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.161 128.5 -98.2 -95.6 18.5 -12.8 15.4 11.4 30 31 A G T < 5S+ 0 0 64 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.249 79.1 133.7 88.6 -12.9 -12.3 13.0 8.6 31 32 A R < - 0 0 68 -5,-1.7 2,-0.5 1,-0.1 -1,-0.3 -0.447 54.2-128.5 -68.3 146.9 -9.1 14.2 6.9 32 33 A R E -b 59 0A 86 26,-2.1 28,-2.9 24,-0.1 2,-0.5 -0.855 20.1-136.2 -98.6 129.8 -6.5 11.5 6.2 33 34 A V E -b 60 0A 0 -2,-0.5 119,-2.2 26,-0.2 120,-1.2 -0.768 17.3-165.8 -94.8 126.0 -3.1 12.2 7.5 34 35 A M E -bc 61 153A 0 26,-3.1 28,-3.3 -2,-0.5 2,-0.5 -0.888 6.5-153.0-109.0 132.5 -0.1 11.5 5.2 35 36 A L E -bc 62 154A 0 118,-3.1 120,-2.5 -2,-0.4 28,-0.2 -0.921 14.3-178.0-111.9 130.4 3.4 11.4 6.7 36 37 A V E -b 63 0A 0 26,-2.8 28,-1.7 -2,-0.5 2,-0.5 -0.907 16.1-160.9-118.9 94.6 6.5 12.2 4.7 37 38 A P E +b 64 0A 20 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.706 22.4 160.1 -85.2 126.8 9.5 11.7 7.0 38 39 A T E -b 65 0A 11 26,-1.8 28,-1.6 -2,-0.5 3,-0.1 -0.890 49.8-133.3-135.5 165.1 12.7 13.5 5.8 39 40 A M - 0 0 31 1,-0.4 26,-0.1 -2,-0.3 28,-0.1 -0.108 58.9-117.1-103.3 32.5 16.0 14.7 7.0 40 41 A G S S+ 0 0 2 24,-0.4 -1,-0.4 1,-0.1 3,-0.1 -0.196 81.5 112.5 61.1-160.5 15.5 18.0 5.2 41 42 A A - 0 0 0 1,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.953 66.4-155.9 54.1 52.5 17.8 19.2 2.3 42 43 A L + 0 0 12 42,-0.2 2,-0.2 3,-0.1 -1,-0.2 -0.298 24.9 165.1 -70.5 137.3 14.7 18.7 0.2 43 44 A H >> - 0 0 40 -3,-0.1 4,-1.7 -2,-0.1 3,-0.5 -0.678 57.1 -72.6-136.6-171.2 15.0 18.1 -3.5 44 45 A E H 3> S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.744 125.9 63.2 -65.7 -26.3 12.7 16.8 -6.3 45 46 A G H 3> S+ 0 0 14 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.945 106.8 44.0 -57.2 -50.1 12.9 13.2 -5.0 46 47 A H H <> S+ 0 0 28 -3,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.857 108.8 58.8 -62.3 -32.2 11.2 14.4 -1.7 47 48 A L H X S+ 0 0 3 -4,-1.7 4,-3.2 1,-0.3 5,-0.2 0.897 100.6 55.7 -72.3 -26.1 8.7 16.5 -3.8 48 49 A A H X S+ 0 0 20 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.916 107.1 49.9 -67.9 -36.3 7.6 13.4 -5.5 49 50 A L H X S+ 0 0 12 -4,-1.1 4,-2.0 -3,-0.2 -2,-0.2 0.941 112.0 47.7 -63.9 -48.1 6.8 11.9 -2.0 50 51 A V H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.952 113.5 47.5 -55.4 -49.7 4.9 15.1 -1.1 51 52 A R H X S+ 0 0 86 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.911 109.1 53.1 -62.3 -44.3 2.9 15.0 -4.4 52 53 A A H < S+ 0 0 11 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.870 113.7 44.4 -57.2 -41.2 2.2 11.3 -4.0 53 54 A A H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.885 109.8 55.3 -69.0 -41.1 0.8 12.1 -0.5 54 55 A K H 3< S+ 0 0 80 -4,-3.0 5,-0.3 1,-0.3 -2,-0.2 0.840 100.7 60.1 -61.5 -34.5 -1.2 15.2 -1.8 55 56 A R T 3< S+ 0 0 182 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.465 77.5 102.5 -79.4 0.2 -3.0 13.1 -4.4 56 57 A V S X S- 0 0 11 -3,-1.5 3,-2.0 -5,-0.1 -24,-0.1 -0.742 89.3-105.1 -77.8 123.7 -4.5 10.9 -1.6 57 58 A P T 3 S+ 0 0 94 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 -0.213 98.8 5.2 -63.8 136.9 -8.1 12.1 -1.4 58 59 A G T 3 S+ 0 0 50 1,-0.2 -26,-2.1 -4,-0.1 -3,-0.1 0.660 97.0 161.3 69.7 15.2 -8.9 14.3 1.6 59 60 A S E < -b 32 0A 15 -3,-2.0 2,-0.4 -5,-0.3 -26,-0.2 -0.339 33.0-162.6 -65.6 144.0 -5.3 14.1 2.6 60 61 A V E -b 33 0A 0 -28,-2.9 -26,-3.1 -3,-0.1 2,-0.5 -0.995 23.9-139.5-115.6 136.7 -3.6 16.5 5.0 61 62 A V E -b 34 0A 3 -2,-0.4 38,-1.4 -28,-0.2 2,-0.5 -0.837 17.4-170.4-104.3 129.2 0.2 16.2 4.4 62 63 A V E -bd 35 99A 0 -28,-3.3 -26,-2.8 -2,-0.5 2,-0.6 -0.971 4.3-168.3-111.6 119.8 2.7 16.3 7.3 63 64 A V E -bd 36 100A 1 36,-2.8 38,-2.6 -2,-0.5 2,-0.3 -0.941 9.2-154.3-102.8 120.8 6.3 16.6 6.3 64 65 A S E -bd 37 101A 0 -28,-1.7 -26,-1.8 -2,-0.6 2,-0.4 -0.724 7.9-168.8 -90.8 137.6 8.7 15.9 9.1 65 66 A I E +b 38 0A 26 36,-2.9 2,-0.3 -2,-0.3 -26,-0.2 -0.963 27.8 136.8-121.0 120.1 12.2 17.4 9.0 66 67 A F - 0 0 14 -28,-1.6 2,-1.1 -2,-0.4 -26,-0.1 -0.902 46.7-141.8-166.6 117.6 14.6 16.1 11.6 67 68 A V - 0 0 21 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.776 33.6-141.6 -89.7 101.2 18.2 15.2 11.1 68 69 A N > - 0 0 2 -2,-1.1 3,-1.3 1,-0.2 4,-0.3 -0.479 14.7-161.4 -77.3 109.4 18.2 12.1 13.3 69 70 A P G > S+ 0 0 35 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.812 83.3 67.9 -59.5 -28.9 21.4 11.8 15.4 70 71 A M G 3 S+ 0 0 26 1,-0.3 67,-0.4 67,-0.2 68,-0.2 0.735 95.3 54.0 -70.0 -21.8 20.8 8.1 16.2 71 72 A Q G < S+ 0 0 23 -3,-1.3 2,-0.4 66,-0.3 -1,-0.3 0.391 94.5 84.8 -88.7 -0.6 21.3 6.9 12.6 72 73 A F S < S- 0 0 29 -3,-1.5 2,-0.1 -4,-0.3 3,-0.1 -0.873 72.0-140.3-103.1 133.8 24.7 8.5 12.2 73 74 A G - 0 0 38 -2,-0.4 5,-0.4 1,-0.2 4,-0.3 -0.355 42.2 -81.3 -76.7 169.6 27.9 6.9 13.4 74 75 A A S S+ 0 0 106 3,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.112 92.8 81.0 -68.4-174.6 30.4 9.0 15.1 75 76 A G S S- 0 0 68 1,-0.1 3,-0.3 -3,-0.1 4,-0.3 -0.751 108.7 -62.5 97.6-165.2 32.7 11.0 12.9 76 77 A G S > S+ 0 0 40 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.133 100.7 113.4-110.0 21.5 31.5 14.3 11.5 77 78 A D H > S+ 0 0 66 -4,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.937 79.7 45.0 -56.2 -48.8 28.8 12.6 9.5 78 79 A L H >4 S+ 0 0 50 -5,-0.4 3,-0.7 -3,-0.3 -1,-0.2 0.926 116.1 44.8 -62.6 -49.8 26.1 14.3 11.7 79 80 A D H 34 S+ 0 0 140 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.4 52.8 -59.9 -35.1 27.7 17.7 11.5 80 81 A A H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.550 78.0 115.3 -82.6 -13.9 28.3 17.4 7.7 81 82 A Y S << S- 0 0 24 -4,-0.9 2,-0.1 -3,-0.7 -40,-0.1 -0.386 79.1-104.1 -56.4 135.1 24.7 16.5 6.8 82 83 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.399 35.9-168.9 -67.9 135.1 23.3 19.3 4.6 83 84 A R + 0 0 120 -2,-0.1 3,-0.1 -43,-0.1 -43,-0.1 -0.977 21.2 155.9-127.6 115.0 20.9 21.7 6.3 84 85 A T > + 0 0 35 -2,-0.5 4,-2.2 1,-0.1 -42,-0.2 -0.536 8.2 159.7-131.0 61.4 19.0 24.1 4.1 85 86 A P H > + 0 0 75 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.767 68.8 54.8 -76.3 -14.5 16.0 24.9 6.2 86 87 A D H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.961 112.7 43.2 -74.7 -47.8 14.9 28.1 4.4 87 88 A D H > S+ 0 0 106 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.904 111.8 57.3 -55.1 -42.3 14.8 26.4 1.0 88 89 A D H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.935 109.6 42.3 -62.0 -48.4 13.0 23.4 2.6 89 90 A L H X S+ 0 0 39 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.883 112.1 55.1 -65.2 -37.8 10.2 25.5 4.0 90 91 A A H X S+ 0 0 53 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.887 108.7 49.8 -59.3 -41.9 9.9 27.5 0.7 91 92 A Q H X S+ 0 0 60 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.889 109.8 49.6 -67.4 -33.7 9.5 24.2 -1.2 92 93 A L H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 4,-0.5 0.911 111.1 48.5 -74.6 -40.1 6.8 23.1 1.2 93 94 A R H ><5S+ 0 0 149 -4,-2.5 3,-1.4 2,-0.2 -2,-0.2 0.950 112.0 50.3 -57.3 -49.3 4.9 26.3 0.8 94 95 A A H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.821 110.2 50.8 -59.8 -35.2 5.3 26.1 -3.1 95 96 A E T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.512 115.4-116.3 -79.7 -5.4 4.0 22.5 -2.9 96 97 A G T < 5 + 0 0 35 -3,-1.4 -3,-0.2 -4,-0.5 -35,-0.2 0.665 53.3 166.9 81.2 18.0 0.9 23.5 -0.8 97 98 A V < - 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.462 22.7-162.5 -67.3 130.8 1.9 21.4 2.3 98 99 A E + 0 0 21 -37,-0.4 -87,-3.1 1,-0.2 2,-0.4 0.751 68.5 40.3 -88.2 -25.8 -0.1 22.4 5.3 99 100 A I E -ad 11 62A 0 -38,-1.4 -36,-2.8 -89,-0.2 2,-0.5 -0.974 53.2-177.0-130.8 123.3 2.0 20.9 8.1 100 101 A A E -ad 12 63A 0 -89,-2.7 -87,-2.4 -2,-0.4 2,-0.6 -0.954 15.0-156.7-103.4 134.9 5.8 20.9 8.6 101 102 A F E +ad 13 64A 0 -38,-2.6 -36,-2.9 -2,-0.5 -87,-0.2 -0.945 18.0 171.0-114.3 108.9 7.0 19.0 11.8 102 103 A T - 0 0 34 -89,-2.6 -36,-0.1 -2,-0.6 -38,-0.1 -0.619 11.0-176.9-121.2 71.9 10.4 20.2 12.9 103 104 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.176 23.1-122.4 -67.0 157.9 11.2 18.7 16.4 104 105 A T > - 0 0 76 -90,-0.4 4,-1.4 1,-0.1 5,-0.2 -0.587 25.4-112.7 -89.5 162.4 14.4 19.5 18.4 105 106 A T H > S+ 0 0 75 1,-0.2 4,-3.4 -2,-0.2 3,-0.2 0.911 119.5 54.5 -60.9 -39.8 16.8 16.7 19.4 106 107 A A H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.881 106.9 49.7 -62.0 -39.2 15.8 17.4 23.1 107 108 A A H 4 S+ 0 0 33 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.848 119.0 37.7 -69.4 -34.4 12.1 16.9 22.3 108 109 A M H < S+ 0 0 1 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.796 131.5 27.3 -85.1 -35.3 12.7 13.6 20.5 109 110 A Y >< + 0 0 29 -4,-3.4 3,-2.0 -5,-0.2 -1,-0.2 -0.389 66.9 150.2-124.4 56.8 15.4 12.3 22.8 110 111 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.785 85.8 36.6 -63.9 -22.3 14.7 13.9 26.3 111 112 A D T 3 S- 0 0 86 1,-0.4 -5,-0.1 -3,-0.1 -2,-0.0 0.148 109.2-127.5-111.8 17.3 16.2 10.9 28.0 112 113 A G < - 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