==== 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 22-OCT-02 1N2E . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.WANG,D.EISENBERG,TB STRUCTURAL GENOMICS CONSORTIUM (TBSGC) . 569 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 70.1 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 9.1 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 . 46 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 29.2 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 1 3 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 3 A I 0 0 149 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 125.2 12.8 47.1 60.5 2 4 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 10,-0.0 -0.170 360.0 -73.0 -67.7 174.6 15.2 49.6 59.0 3 5 A A - 0 0 64 1,-0.0 2,-0.5 2,-0.0 18,-0.1 -0.464 44.8-166.7 -72.3 138.2 14.1 51.7 56.1 4 6 A F - 0 0 49 -2,-0.2 94,-0.1 -3,-0.1 5,-0.0 -0.913 3.3-163.7-127.6 104.9 13.6 50.1 52.7 5 7 A H > - 0 0 103 -2,-0.5 3,-1.4 92,-0.1 -2,-0.0 -0.763 21.2-137.0 -90.1 102.6 13.2 52.4 49.7 6 8 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.205 84.4 22.3 -58.8 145.6 11.8 50.3 46.9 7 9 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 88,-0.1 89,-0.1 0.520 111.8 86.5 76.3 3.1 13.3 50.9 43.4 8 10 A E S < S- 0 0 122 -3,-1.4 2,-0.6 89,-0.1 -1,-0.2 -0.858 90.0 -94.5-128.5 163.9 16.5 52.3 44.9 9 11 A L - 0 0 23 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.734 38.6-165.5 -84.3 119.8 19.7 50.7 46.2 10 12 A N E -a 98 0A 10 87,-2.4 89,-2.7 -2,-0.6 2,-0.5 -0.925 4.3-156.9-105.5 124.2 19.4 50.2 50.0 11 13 A V E +a 99 0A 61 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.898 13.5 177.8-107.2 124.7 22.8 49.5 51.7 12 14 A Y E +a 100 0A 14 87,-2.6 89,-2.5 -2,-0.5 -2,-0.0 -0.988 15.7 175.6-125.9 134.8 22.8 47.6 55.0 13 15 A S + 0 0 58 -2,-0.4 90,-0.4 87,-0.2 -1,-0.1 0.732 61.0 85.0-104.5 -32.7 25.9 46.7 57.0 14 16 A A S >> S- 0 0 42 1,-0.2 4,-1.7 88,-0.1 3,-0.7 -0.539 72.0-142.4 -74.4 125.8 24.3 45.2 60.1 15 17 A P H 3> S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.905 102.4 55.0 -52.6 -41.0 23.3 41.5 59.7 16 18 A G H 3> S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.852 104.5 54.4 -61.1 -36.1 20.2 42.2 61.8 17 19 A D H <> S+ 0 0 65 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.954 112.8 39.9 -64.6 -50.0 19.1 45.0 59.4 18 20 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.883 114.8 54.4 -69.2 -32.1 19.2 42.9 56.2 19 21 A A H X S+ 0 0 29 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.934 110.9 45.4 -64.4 -44.9 17.8 39.9 58.1 20 22 A D H X S+ 0 0 83 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.907 115.5 46.1 -65.2 -42.9 14.8 41.9 59.2 21 23 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 112.6 49.5 -67.3 -43.3 14.2 43.5 55.8 22 24 A S H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.928 112.2 49.3 -60.0 -45.2 14.5 40.2 54.0 23 25 A R H X S+ 0 0 83 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.926 111.0 49.4 -59.9 -46.3 12.1 38.6 56.4 24 26 A A H X S+ 0 0 27 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.928 113.2 46.7 -61.3 -43.3 9.6 41.5 55.9 25 27 A L H ><>S+ 0 0 17 -4,-2.6 5,-1.4 1,-0.2 3,-1.0 0.919 110.6 51.4 -65.0 -43.5 9.9 41.2 52.1 26 28 A R H ><5S+ 0 0 57 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.914 105.7 57.5 -60.6 -40.0 9.5 37.5 52.1 27 29 A L H 3<5S+ 0 0 124 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.701 103.0 53.6 -64.3 -21.3 6.4 37.9 54.3 28 30 A T T <<5S- 0 0 108 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.413 126.0 -97.8 -94.6 2.7 4.8 40.1 51.6 29 31 A G T < 5S+ 0 0 61 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.212 79.3 133.7 106.0 -15.9 5.3 37.6 48.9 30 32 A R < - 0 0 84 -5,-1.4 2,-0.6 1,-0.1 -1,-0.3 -0.401 54.3-128.4 -69.0 143.3 8.4 38.8 47.3 31 33 A R E -b 58 0A 87 26,-1.6 28,-2.2 25,-0.2 2,-0.4 -0.845 19.5-136.4 -97.8 127.0 11.0 36.1 46.6 32 34 A V E -b 59 0A 0 -2,-0.6 119,-2.9 117,-0.2 120,-1.2 -0.683 17.4-166.5 -88.9 128.1 14.5 37.0 47.9 33 35 A M E -bc 60 152A 0 26,-2.6 28,-3.1 -2,-0.4 2,-0.5 -0.931 5.2-155.6-112.7 133.3 17.5 36.2 45.7 34 36 A L E -bc 61 153A 0 118,-2.3 120,-2.4 -2,-0.4 28,-0.2 -0.948 12.2-175.6-115.5 131.8 21.0 36.3 47.1 35 37 A V E -b 62 0A 0 26,-2.6 28,-1.7 -2,-0.5 2,-0.4 -0.907 17.7-154.9-120.6 98.3 24.2 36.9 45.0 36 38 A P E +b 63 0A 21 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.608 25.1 161.0 -77.7 129.6 27.2 36.4 47.3 37 39 A T E -b 64 0A 13 26,-1.6 28,-1.8 -2,-0.4 3,-0.1 -0.929 47.1-138.8-141.2 165.8 30.3 38.3 46.2 38 40 A M - 0 0 32 1,-0.5 26,-0.1 -2,-0.3 28,-0.1 -0.058 59.0-115.6-110.3 27.8 33.6 39.6 47.5 39 41 A G S S+ 0 0 2 24,-0.4 -1,-0.5 1,-0.1 3,-0.1 -0.222 82.2 111.5 72.7-164.4 33.2 42.9 45.6 40 42 A A - 0 0 0 1,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.970 67.0-154.1 55.4 55.2 35.4 44.2 42.8 41 43 A L + 0 0 11 42,-0.2 2,-0.2 3,-0.1 -1,-0.2 -0.329 25.4 164.8 -69.5 138.4 32.4 43.6 40.5 42 44 A H >> - 0 0 36 -3,-0.1 4,-1.8 -2,-0.1 3,-1.0 -0.789 56.3 -71.7-138.4-178.9 32.7 43.0 36.8 43 45 A E H 3> S+ 0 0 77 1,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.768 126.2 61.6 -50.6 -31.2 30.5 41.6 34.0 44 46 A G H 3> S+ 0 0 16 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.940 106.8 44.8 -62.8 -44.4 30.6 38.1 35.4 45 47 A H H <> S+ 0 0 31 -3,-1.0 4,-2.2 1,-0.2 3,-0.3 0.895 108.1 58.1 -65.5 -37.0 29.0 39.3 38.6 46 48 A L H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.3 -1,-0.2 0.820 100.2 57.4 -64.6 -27.7 26.4 41.3 36.7 47 49 A A H X S+ 0 0 23 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.3 0.887 106.6 49.1 -67.4 -38.6 25.3 38.1 34.9 48 50 A L H X S+ 0 0 15 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.924 112.2 48.9 -64.4 -43.3 24.6 36.6 38.3 49 51 A V H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.936 111.3 48.4 -61.0 -46.0 22.7 39.7 39.2 50 52 A R H X S+ 0 0 103 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.898 109.0 53.4 -64.9 -35.6 20.7 39.7 36.0 51 53 A A H < S+ 0 0 26 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.899 113.4 44.3 -62.7 -41.0 19.9 36.0 36.5 52 54 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.917 109.7 55.9 -66.7 -45.9 18.6 36.9 40.0 53 55 A K H 3< S+ 0 0 101 -4,-3.1 5,-0.3 1,-0.3 -2,-0.2 0.825 100.0 59.9 -58.1 -35.5 16.7 39.9 38.7 54 56 A R T 3< S+ 0 0 160 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.581 74.5 106.8 -73.5 -12.4 14.7 37.9 36.1 55 57 A V S X S- 0 0 3 -3,-1.5 3,-1.9 -4,-0.3 -24,-0.1 -0.561 88.4-100.3 -68.4 123.1 13.1 35.6 38.7 56 58 A P T 3 S- 0 0 83 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.175 98.7 -0.6 -49.7 129.8 9.4 36.8 38.8 57 59 A G T 3 S+ 0 0 47 1,-0.2 -26,-1.6 -4,-0.1 2,-0.1 0.671 97.4 153.5 65.7 20.6 8.6 39.1 41.8 58 60 A S E < -b 31 0A 14 -3,-1.9 2,-0.4 -5,-0.3 -26,-0.2 -0.397 38.3-154.7 -82.5 157.4 12.2 38.8 43.1 59 61 A V E -b 32 0A 0 -28,-2.2 -26,-2.6 -2,-0.1 2,-0.5 -0.992 23.9-137.4-124.2 131.2 14.1 41.3 45.3 60 62 A V E -b 33 0A 2 -2,-0.4 38,-1.6 35,-0.2 2,-0.5 -0.830 17.1-170.3-101.3 129.4 17.8 41.0 44.8 61 63 A V E -bd 34 98A 0 -28,-3.1 -26,-2.6 -2,-0.5 2,-0.6 -0.972 3.9-169.4-112.8 121.2 20.3 41.1 47.7 62 64 A V E -bd 35 99A 1 36,-2.6 38,-2.5 -2,-0.5 2,-0.4 -0.957 9.8-154.0-110.4 122.3 24.0 41.2 46.7 63 65 A S E -bd 36 100A 1 -28,-1.7 -26,-1.6 -2,-0.6 2,-0.4 -0.766 6.8-166.6 -95.5 143.1 26.4 40.7 49.6 64 66 A I E +b 37 0A 26 36,-2.8 2,-0.3 -2,-0.4 -26,-0.2 -0.969 27.9 140.1-128.6 112.3 29.8 42.2 49.3 65 67 A F - 0 0 14 -28,-1.8 2,-1.5 -2,-0.4 -26,-0.1 -0.890 46.3-142.6-157.7 117.3 32.3 40.9 51.9 66 68 A V - 0 0 25 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.721 33.9-143.9 -84.6 96.4 35.9 40.0 51.5 67 69 A N > - 0 0 2 -2,-1.5 3,-1.4 1,-0.2 4,-0.2 -0.482 13.7-160.9 -69.0 106.3 35.8 37.0 53.8 68 70 A P G > S+ 0 0 36 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.810 83.3 68.8 -57.8 -29.1 39.0 36.7 55.8 69 71 A M G 3 S+ 0 0 26 1,-0.3 67,-0.3 67,-0.2 68,-0.2 0.755 94.3 54.1 -64.9 -23.8 38.4 33.0 56.5 70 72 A Q G < S+ 0 0 22 -3,-1.4 2,-0.4 66,-0.3 -1,-0.3 0.351 93.2 85.3 -94.1 7.5 38.9 31.8 53.0 71 73 A F S < S- 0 0 38 -3,-1.7 2,-0.3 -4,-0.2 3,-0.1 -0.872 72.8-137.5-106.1 140.0 42.3 33.4 52.6 72 74 A G - 0 0 42 -2,-0.4 4,-0.4 1,-0.2 5,-0.3 -0.702 45.1 -71.8 -93.5 151.4 45.4 31.6 53.8 73 75 A A S S+ 0 0 109 -2,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.111 95.8 70.7 -36.1 151.6 48.1 33.5 55.7 74 76 A G S S- 0 0 60 1,-0.1 3,-0.3 -3,-0.1 4,-0.3 -0.848 106.0 -59.9 128.4-166.2 50.1 35.9 53.5 75 77 A G S > S+ 0 0 44 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.085 100.7 107.6-101.4 24.3 49.2 39.2 51.9 76 78 A D H > S+ 0 0 81 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.940 80.6 45.6 -65.7 -46.2 46.5 37.5 49.9 77 79 A L H >4 S+ 0 0 47 -3,-0.3 3,-0.7 -5,-0.3 -1,-0.2 0.923 116.6 44.9 -63.5 -44.2 43.8 39.1 52.0 78 80 A D H 34 S+ 0 0 137 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.844 111.9 53.6 -68.3 -31.1 45.4 42.5 51.8 79 81 A A H 3< S+ 0 0 60 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.587 79.2 115.9 -77.7 -13.7 46.1 42.1 48.1 80 82 A Y S << S- 0 0 49 -4,-0.9 -40,-0.1 -3,-0.7 2,-0.1 -0.357 77.0-106.5 -61.2 132.3 42.5 41.3 47.3 81 83 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.310 35.0-168.2 -64.8 136.3 41.1 44.1 45.0 82 84 A R + 0 0 123 -43,-0.1 -43,-0.1 -3,-0.1 -2,-0.0 -0.981 22.6 155.1-129.5 118.8 38.7 46.5 46.6 83 85 A T > + 0 0 35 -2,-0.5 4,-2.2 1,-0.1 -42,-0.2 -0.487 9.1 162.4-139.0 62.2 36.6 48.9 44.5 84 86 A P H > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 71.4 53.5 -52.1 -44.7 33.6 49.7 46.7 85 87 A D H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.910 111.7 43.2 -62.7 -44.9 32.5 52.9 44.9 86 88 A D H > S+ 0 0 103 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 111.2 58.7 -67.9 -36.6 32.4 51.3 41.5 87 89 A D H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.954 108.5 42.1 -57.9 -51.9 30.7 48.2 43.0 88 90 A L H X S+ 0 0 37 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.867 111.7 56.2 -66.1 -31.8 27.7 50.1 44.3 89 91 A A H X S+ 0 0 54 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.915 107.8 49.0 -64.2 -41.7 27.5 52.2 41.1 90 92 A Q H X S+ 0 0 55 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.869 109.9 51.2 -65.9 -36.8 27.2 49.0 39.1 91 93 A L H <>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-0.4 0.903 109.6 49.7 -68.4 -38.4 24.5 47.7 41.5 92 94 A R H ><5S+ 0 0 139 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.940 109.2 51.8 -63.5 -44.1 22.5 50.9 41.1 93 95 A A H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.782 108.9 53.2 -62.5 -25.2 22.8 50.7 37.3 94 96 A E T 3<5S- 0 0 41 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.468 113.8-116.0 -90.2 -1.3 21.5 47.1 37.5 95 97 A G T < 5 + 0 0 36 -3,-1.6 2,-0.3 -4,-0.4 -35,-0.2 0.745 55.0 164.0 75.2 21.1 18.4 48.0 39.5 96 98 A V < - 0 0 2 -5,-2.3 -1,-0.2 -6,-0.1 3,-0.1 -0.569 24.8-162.3 -73.1 135.2 19.5 46.0 42.6 97 99 A E + 0 0 24 -37,-0.4 -87,-2.4 -2,-0.3 2,-0.4 0.711 67.7 41.4 -93.5 -20.7 17.5 47.0 45.7 98 100 A I E -ad 10 61A 0 -38,-1.6 -36,-2.6 -89,-0.2 2,-0.4 -0.982 50.6-179.8-136.6 128.3 19.7 45.6 48.5 99 101 A A E -ad 11 62A 0 -89,-2.7 -87,-2.6 -2,-0.4 2,-0.6 -0.990 15.4-157.2-118.7 129.7 23.5 45.5 49.0 100 102 A F E +ad 12 63A 0 -38,-2.5 -36,-2.8 -2,-0.4 -87,-0.2 -0.946 16.3 173.1-111.6 115.1 24.6 43.8 52.2 101 103 A T - 0 0 35 -89,-2.5 -36,-0.1 -2,-0.6 -38,-0.1 -0.661 11.7-176.6-125.6 73.9 28.1 45.0 53.3 102 104 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.281 22.9-119.9 -72.6 157.4 28.9 43.5 56.7 103 105 A T > - 0 0 79 -90,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.532 24.5-114.1 -89.1 160.7 32.0 44.3 58.7 104 106 A T H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.903 118.0 53.8 -61.4 -37.6 34.5 41.5 59.7 105 107 A A H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.858 106.1 51.5 -66.2 -33.9 33.5 42.1 63.4 106 108 A A H 4 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.851 117.5 39.1 -71.6 -32.8 29.8 41.6 62.7 107 109 A M H < S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.814 129.5 28.1 -86.2 -30.2 30.5 38.3 60.8 108 110 A Y >< + 0 0 31 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.2 -0.387 66.0 147.6-129.1 56.9 33.2 36.9 63.1 109 111 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.776 84.8 38.0 -62.8 -25.3 32.5 38.4 66.6 110 112 A D T 3 S- 0 0 87 1,-0.4 -5,-0.1 -3,-0.1 347,-0.0 0.072 108.3-128.4-112.7 24.5 33.9 35.3 68.2 111 113 A G < - 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