==== 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 1N2J . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.WANG,D.EISENBERG,TB STRUCTURAL GENOMICS CONSORTIUM (TBSGC) . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 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 0.3 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 0.3 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 3 0 0 0 2 2 0 7 1 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 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 0 155 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 114.6 12.7 47.3 59.8 2 4 A P - 0 0 32 0, 0.0 10,-0.0 0, 0.0 0, 0.0 -0.290 360.0 -62.4 -74.0 169.6 15.3 49.8 58.8 3 5 A A - 0 0 68 1,-0.0 2,-0.4 2,-0.0 18,-0.1 -0.153 56.2-175.6 -50.4 138.3 14.7 52.3 56.0 4 6 A F - 0 0 53 -3,-0.1 94,-0.1 6,-0.0 5,-0.1 -0.952 10.2-166.3-143.5 120.2 13.9 50.7 52.7 5 7 A H > - 0 0 100 -2,-0.4 3,-1.1 92,-0.2 -2,-0.0 -0.921 20.0-136.3-110.5 110.5 13.4 52.7 49.5 6 8 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.285 88.3 23.7 -61.1 148.8 11.9 50.8 46.6 7 9 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 88,-0.1 89,-0.1 0.673 112.1 84.6 68.7 17.2 13.5 51.4 43.2 8 10 A E S < S- 0 0 117 -3,-1.1 2,-0.6 89,-0.1 -1,-0.2 -0.956 88.3 -97.1-143.2 159.5 16.8 52.5 44.8 9 11 A L - 0 0 29 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.725 35.9-163.5 -85.1 121.9 19.9 50.8 46.1 10 12 A N E -a 98 0A 11 87,-2.7 89,-2.5 -2,-0.6 2,-0.5 -0.920 5.0-155.8-105.1 125.5 19.6 50.3 49.9 11 13 A V E +a 99 0A 64 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.887 13.7 178.7-108.3 123.8 22.9 49.5 51.6 12 14 A Y E +a 100 0A 14 87,-2.7 89,-2.5 -2,-0.5 -2,-0.0 -0.984 16.7 177.7-125.0 135.3 23.0 47.7 54.9 13 15 A S + 0 0 59 -2,-0.4 90,-0.4 87,-0.2 -1,-0.1 0.742 61.3 85.8-100.5 -32.5 26.0 46.7 56.9 14 16 A A > - 0 0 39 1,-0.2 4,-1.8 88,-0.1 3,-0.5 -0.541 69.9-144.2 -75.5 126.5 24.4 45.2 59.9 15 17 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.913 102.4 55.3 -54.2 -41.8 23.4 41.6 59.6 16 18 A G H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 105.6 53.1 -58.3 -38.6 20.3 42.2 61.7 17 19 A D H > S+ 0 0 62 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.939 112.0 41.2 -64.1 -49.1 19.2 45.0 59.3 18 20 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.881 114.3 54.3 -69.3 -32.5 19.3 43.0 56.1 19 21 A A H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.913 110.8 45.5 -66.3 -41.6 17.8 40.0 57.9 20 22 A D H X S+ 0 0 83 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.912 114.7 46.9 -67.3 -42.9 14.8 42.1 59.1 21 23 A V H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.916 112.8 50.2 -64.7 -44.0 14.3 43.7 55.7 22 24 A S H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.911 111.8 46.6 -60.7 -46.3 14.6 40.3 53.9 23 25 A R H X S+ 0 0 97 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.912 111.1 52.2 -64.2 -41.1 12.0 38.7 56.2 24 26 A A H X S+ 0 0 37 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.905 112.9 45.6 -62.9 -39.9 9.6 41.6 55.9 25 27 A L H ><>S+ 0 0 15 -4,-2.2 5,-1.8 2,-0.2 3,-0.9 0.934 111.4 51.0 -67.1 -46.5 9.9 41.3 52.1 26 28 A R H ><5S+ 0 0 65 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.930 107.1 56.1 -58.0 -40.5 9.5 37.5 52.1 27 29 A L H 3<5S+ 0 0 114 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.759 104.8 52.0 -64.5 -24.8 6.4 38.0 54.3 28 30 A T T <<5S- 0 0 108 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.292 126.5 -92.5 -96.0 11.0 4.7 40.3 51.7 29 31 A G T < 5S+ 0 0 63 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.380 81.4 131.3 101.4 -8.1 5.2 37.9 48.8 30 32 A R < - 0 0 68 -5,-1.8 2,-0.6 28,-0.0 -1,-0.3 -0.594 53.3-131.8 -82.6 142.9 8.5 39.0 47.3 31 33 A R E -b 58 0A 84 26,-2.3 28,-1.9 -2,-0.3 2,-0.5 -0.861 19.7-137.1 -96.2 123.7 11.0 36.2 46.5 32 34 A V E -b 59 0A 0 -2,-0.6 119,-2.8 117,-0.2 120,-1.2 -0.690 16.9-165.9 -86.8 124.8 14.5 37.1 47.8 33 35 A M E -bc 60 152A 0 26,-2.6 28,-2.9 -2,-0.5 2,-0.5 -0.888 5.9-155.1-109.3 136.0 17.4 36.3 45.5 34 36 A L E -bc 61 153A 0 118,-2.3 120,-2.5 -2,-0.4 28,-0.2 -0.957 12.9-175.4-118.3 132.1 21.0 36.3 46.9 35 37 A V E -b 62 0A 0 26,-2.7 28,-2.0 -2,-0.5 2,-0.4 -0.926 17.1-156.0-121.8 101.0 24.1 36.9 44.9 36 38 A P E +b 63 0A 21 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.642 24.8 158.0 -80.6 132.6 27.2 36.5 47.1 37 39 A T E -b 64 0A 13 26,-1.3 28,-1.6 -2,-0.4 3,-0.1 -0.935 48.1-135.3-144.9 167.3 30.3 38.3 46.0 38 40 A M - 0 0 31 1,-0.5 26,-0.2 -2,-0.3 28,-0.1 -0.102 59.2-114.5-110.3 30.2 33.6 39.6 47.4 39 41 A G S S+ 0 0 2 24,-0.4 -1,-0.5 1,-0.1 3,-0.1 -0.217 83.2 110.4 72.5-165.7 33.3 42.9 45.5 40 42 A A - 0 0 0 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.957 67.5-155.3 54.2 52.3 35.5 44.1 42.6 41 43 A L + 0 0 10 42,-0.2 2,-0.2 3,-0.1 -1,-0.1 -0.285 23.7 170.0 -68.2 139.1 32.5 43.5 40.4 42 44 A H >> - 0 0 27 -3,-0.1 4,-1.8 151,-0.1 3,-1.1 -0.750 54.7 -75.0-134.6-179.5 32.7 42.8 36.7 43 45 A E H 3> S+ 0 0 94 1,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.760 125.4 63.2 -54.6 -28.5 30.4 41.6 33.9 44 46 A G H 3> S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.910 105.7 45.1 -63.6 -40.6 30.4 38.1 35.2 45 47 A H H <> S+ 0 0 29 -3,-1.1 4,-2.3 1,-0.2 3,-0.3 0.891 108.5 57.5 -69.6 -37.0 28.9 39.2 38.5 46 48 A L H X S+ 0 0 9 -4,-1.8 4,-2.9 1,-0.3 -1,-0.2 0.821 101.1 56.2 -63.8 -29.4 26.3 41.3 36.6 47 49 A A H X S+ 0 0 20 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.865 107.0 50.0 -68.9 -35.6 25.2 38.2 34.8 48 50 A L H X S+ 0 0 12 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.946 111.7 48.4 -64.3 -46.6 24.5 36.7 38.2 49 51 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 111.9 48.9 -57.9 -47.1 22.5 39.8 39.1 50 52 A R H X S+ 0 0 121 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.901 108.6 52.7 -62.6 -39.4 20.6 39.7 35.9 51 53 A A H < S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.876 112.9 46.1 -61.5 -39.1 19.7 36.0 36.4 52 54 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.912 108.4 55.5 -68.6 -43.8 18.4 36.9 39.8 53 55 A K H 3< S+ 0 0 66 -4,-2.7 5,-0.3 1,-0.3 -2,-0.2 0.765 99.0 60.5 -65.2 -26.3 16.4 39.9 38.7 54 56 A R T 3< S+ 0 0 198 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.526 75.3 106.2 -79.9 -6.6 14.4 38.0 36.1 55 57 A V S X S- 0 0 10 -3,-1.5 3,-1.6 -4,-0.2 -24,-0.1 -0.655 88.1-103.2 -74.0 123.5 12.9 35.7 38.7 56 58 A P T 3 S+ 0 0 94 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.169 100.3 6.2 -51.1 132.2 9.3 36.9 38.9 57 59 A G T 3 S+ 0 0 52 1,-0.2 -26,-2.3 -4,-0.1 -3,-0.1 0.714 97.0 159.4 67.6 21.7 8.5 39.0 42.0 58 60 A S E < -b 31 0A 13 -3,-1.6 2,-0.4 -5,-0.3 -26,-0.2 -0.365 34.0-164.0 -79.2 153.6 12.2 39.0 43.0 59 61 A V E -b 32 0A 0 -28,-1.9 -26,-2.6 -2,-0.1 2,-0.5 -0.984 24.9-139.0-128.4 125.1 14.0 41.4 45.2 60 62 A V E -b 33 0A 0 -2,-0.4 38,-1.4 35,-0.2 2,-0.5 -0.760 17.1-170.1 -96.8 131.1 17.8 41.1 44.7 61 63 A V E -bd 34 98A 0 -28,-2.9 -26,-2.7 -2,-0.5 2,-0.5 -0.971 3.7-169.3-114.9 123.6 20.3 41.1 47.5 62 64 A V E -bd 35 99A 1 36,-2.5 38,-2.7 -2,-0.5 2,-0.4 -0.967 9.3-154.5-111.9 121.6 24.0 41.3 46.5 63 65 A S E -bd 36 100A 1 -28,-2.0 -26,-1.3 -2,-0.5 2,-0.4 -0.796 7.5-168.3 -97.2 143.4 26.4 40.7 49.4 64 66 A I E +b 37 0A 26 36,-2.6 2,-0.3 -2,-0.4 -26,-0.2 -0.975 28.2 139.2-128.6 112.3 29.9 42.3 49.1 65 67 A F - 0 0 14 -28,-1.6 2,-1.4 -2,-0.4 -26,-0.1 -0.873 46.8-142.3-159.5 116.2 32.3 40.9 51.8 66 68 A V - 0 0 22 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.749 33.9-141.7 -85.3 97.1 35.9 39.9 51.3 67 69 A N > - 0 0 2 -2,-1.4 3,-1.3 1,-0.2 4,-0.2 -0.459 15.0-162.0 -66.4 105.5 35.8 36.9 53.6 68 70 A P G > S+ 0 0 34 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.812 82.4 68.6 -59.3 -29.0 38.9 36.6 55.6 69 71 A M G 3 S+ 0 0 25 1,-0.3 67,-0.2 67,-0.2 68,-0.2 0.755 95.3 53.8 -63.5 -27.1 38.3 32.9 56.5 70 72 A Q G < S+ 0 0 23 -3,-1.3 2,-0.4 66,-0.3 -1,-0.3 0.373 91.7 89.1 -89.4 6.1 38.9 31.7 52.9 71 73 A F < - 0 0 28 -3,-1.6 3,-0.1 -4,-0.2 59,-0.0 -0.854 65.7-150.5-103.3 138.9 42.3 33.3 52.6 72 74 A G S S+ 0 0 73 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.976 77.0 15.1 -68.9 -56.9 45.4 31.4 53.6 73 75 A A S >> S- 0 0 55 1,-0.1 4,-1.9 0, 0.0 3,-0.7 -0.859 74.6-113.8-124.0 157.1 47.5 34.4 54.6 74 76 A G H 3> S+ 0 0 42 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.758 112.7 65.2 -54.5 -25.7 47.0 38.1 55.3 75 77 A G H 3> S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 104.5 41.7 -65.4 -46.5 49.1 38.8 52.2 76 78 A D H <> S+ 0 0 93 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.885 115.8 52.0 -66.0 -37.7 46.5 37.4 49.8 77 79 A L H >< S+ 0 0 34 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.940 111.8 44.7 -65.4 -46.8 43.7 39.0 51.9 78 80 A D H 3< S+ 0 0 128 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 112.2 54.7 -66.4 -29.1 45.4 42.4 51.7 79 81 A A H 3< S+ 0 0 61 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.632 78.3 113.1 -79.6 -15.3 46.0 41.9 48.0 80 82 A Y S << S- 0 0 29 -4,-0.9 -40,-0.1 -3,-0.7 -14,-0.0 -0.342 79.0-104.3 -59.6 134.6 42.4 41.1 47.0 81 83 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.315 35.3-167.7 -64.9 139.8 41.1 44.0 44.9 82 84 A R + 0 0 122 -43,-0.1 -43,-0.1 -3,-0.1 -44,-0.0 -0.986 21.7 157.0-129.9 118.1 38.7 46.4 46.5 83 85 A T > + 0 0 33 -2,-0.4 4,-2.6 1,-0.1 -42,-0.2 -0.458 9.6 163.5-137.8 61.4 36.7 48.9 44.3 84 86 A P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 72.4 49.4 -49.2 -48.2 33.7 49.7 46.6 85 87 A D H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.903 113.5 45.0 -66.1 -41.0 32.5 52.9 44.7 86 88 A D H > S+ 0 0 101 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 111.4 55.3 -67.6 -40.3 32.6 51.2 41.3 87 89 A D H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.957 110.8 42.9 -56.6 -52.6 30.8 48.1 42.8 88 90 A L H X S+ 0 0 34 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.884 111.6 55.7 -63.4 -35.7 27.9 50.2 44.2 89 91 A A H X S+ 0 0 49 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.918 109.3 46.9 -62.3 -41.6 27.7 52.2 41.0 90 92 A Q H X S+ 0 0 52 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.898 110.7 51.7 -68.2 -38.7 27.3 49.1 38.9 91 93 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.2 4,-0.4 0.924 109.6 50.5 -63.7 -42.0 24.7 47.7 41.4 92 94 A R H ><5S+ 0 0 147 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.933 108.6 52.0 -58.9 -45.1 22.7 51.0 41.1 93 95 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 107.2 53.8 -64.2 -24.2 22.8 50.8 37.2 94 96 A E T 3<5S- 0 0 43 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.476 115.5-113.5 -89.5 -1.2 21.5 47.2 37.4 95 97 A G T < 5 + 0 0 41 -3,-1.6 2,-0.3 -4,-0.4 -35,-0.2 0.751 55.4 166.7 77.5 21.7 18.4 48.2 39.4 96 98 A V < - 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.545 22.1-164.7 -71.5 133.4 19.6 46.2 42.5 97 99 A E + 0 0 20 -37,-0.4 -87,-2.7 -2,-0.3 2,-0.4 0.730 66.9 40.1 -93.6 -23.1 17.6 47.2 45.6 98 100 A I E -ad 10 61A 0 -38,-1.4 -36,-2.5 -89,-0.2 2,-0.5 -0.980 51.4-178.8-135.8 127.7 19.8 45.7 48.3 99 101 A A E -ad 11 62A 0 -89,-2.5 -87,-2.7 -2,-0.4 2,-0.7 -0.983 15.4-156.0-116.9 127.5 23.5 45.6 48.9 100 102 A F E +ad 12 63A 0 -38,-2.7 -36,-2.6 -2,-0.5 -87,-0.2 -0.921 17.2 173.1-107.8 112.0 24.7 43.8 52.1 101 103 A T - 0 0 34 -89,-2.5 -36,-0.1 -2,-0.7 -38,-0.1 -0.613 11.4-177.0-122.6 71.4 28.1 45.0 53.1 102 104 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.194 22.7-121.7 -69.7 158.8 29.0 43.5 56.5 103 105 A T > - 0 0 76 -90,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.581 25.1-113.9 -92.5 161.4 32.1 44.2 58.5 104 106 A T H > S+ 0 0 72 1,-0.2 4,-2.7 -2,-0.2 -1,-0.1 0.872 117.8 54.3 -63.3 -36.9 34.5 41.4 59.6 105 107 A A H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.884 106.3 50.5 -64.8 -40.7 33.6 42.0 63.2 106 108 A A H 4 S+ 0 0 18 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.847 117.9 40.0 -67.0 -32.8 29.8 41.6 62.5 107 109 A M H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.813 129.7 26.1 -84.8 -34.1 30.5 38.3 60.7 108 110 A Y >< + 0 0 31 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 -0.448 66.2 149.0-127.7 59.5 33.2 36.8 63.0 109 111 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.755 84.1 39.7 -65.5 -20.0 32.6 38.4 66.5 110 112 A D T 3 S- 0 0 80 1,-0.5 -5,-0.1 -3,-0.1 351,-0.0 0.111 108.2-128.8-114.7 20.8 33.9 35.2 68.1 111 113 A G < - 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