==== 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 TRANSFERASE 20-MAR-06 2GES . COMPND 2 MOLECULE: PANTOTHENATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.DAS,P.KUMAR,V.BHOR,A.SUROLIA,M.VIJAYAN . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.6 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 1 1 2 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 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 5 A S 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.2 81.3 45.8 14.2 2 6 A E - 0 0 173 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.841 360.0-138.9-105.1 94.0 77.6 46.6 14.7 3 7 A P - 0 0 115 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.125 22.4-168.4 -51.7 145.6 75.8 43.3 15.5 4 8 A S - 0 0 60 2,-0.1 303,-0.1 1,-0.1 -2,-0.0 -0.983 33.6-140.6-140.5 150.0 72.4 42.8 13.8 5 9 A P S S+ 0 0 62 0, 0.0 302,-2.8 0, 0.0 303,-1.3 0.728 89.7 70.5 -78.0 -21.3 69.5 40.3 14.2 6 10 A Y E -A 306 0A 71 300,-0.2 2,-0.4 301,-0.2 300,-0.2 -0.581 61.1-162.8 -98.8 158.3 69.3 40.4 10.4 7 11 A V E -A 305 0A 43 298,-2.0 298,-2.9 -2,-0.2 2,-0.4 -0.992 16.2-151.3-136.9 124.8 71.4 39.0 7.6 8 12 A E E -A 304 0A 130 -2,-0.4 2,-0.4 296,-0.2 296,-0.2 -0.850 12.8-172.4-105.3 138.7 70.9 40.4 4.1 9 13 A F E -A 303 0A 44 294,-3.0 294,-2.5 -2,-0.4 2,-0.3 -0.972 19.8-141.8-129.5 143.2 71.5 38.5 0.9 10 14 A D E >> -A 302 0A 35 -2,-0.4 4,-2.5 292,-0.2 3,-1.5 -0.675 39.9-108.0 -91.0 155.5 71.5 39.4 -2.7 11 15 A R H 3> S+ 0 0 23 290,-2.5 4,-2.8 -2,-0.3 5,-0.2 0.895 117.7 61.8 -49.3 -44.2 70.1 36.6 -4.9 12 16 A R H 34 S+ 0 0 155 1,-0.2 -1,-0.3 289,-0.2 4,-0.2 0.752 111.9 37.0 -57.7 -26.9 73.5 35.7 -6.2 13 17 A Q H X4 S+ 0 0 118 -3,-1.5 3,-1.0 2,-0.1 4,-0.3 0.841 114.0 54.5 -92.5 -39.7 74.8 34.9 -2.7 14 18 A W H >< S+ 0 0 5 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.870 97.1 66.2 -61.5 -36.9 71.6 33.3 -1.5 15 19 A R G >< S+ 0 0 95 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.780 90.6 65.3 -56.7 -29.0 71.5 30.8 -4.4 16 20 A A G X S+ 0 0 68 -3,-1.0 3,-0.9 1,-0.3 -1,-0.3 0.681 84.9 72.2 -69.4 -17.4 74.6 29.2 -3.1 17 21 A L G < S+ 0 0 68 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.356 72.5 89.3 -81.0 7.9 72.8 27.9 0.0 18 22 A R G X + 0 0 62 -3,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.886 62.8 170.1 -68.4 -39.3 71.0 25.4 -2.1 19 23 A M T < - 0 0 126 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.0 -0.435 67.0 -23.5 62.7-125.6 73.8 22.9 -1.6 20 24 A S T 3 S+ 0 0 113 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.585 90.9 141.2 -94.7 -10.2 72.7 19.5 -2.9 21 25 A T < - 0 0 13 -3,-1.4 2,-0.1 1,-0.1 29,-0.1 -0.023 49.5-127.2 -39.9 119.2 68.9 20.0 -2.7 22 26 A P - 0 0 102 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.375 9.9-124.7 -71.5 144.9 67.2 18.3 -5.7 23 27 A L + 0 0 54 1,-0.1 23,-0.0 -2,-0.1 86,-0.0 -0.841 32.0 174.3 -92.9 109.4 64.8 20.2 -8.0 24 28 A A + 0 0 50 -2,-0.8 2,-0.4 85,-0.1 -1,-0.1 -0.127 48.0 89.6-108.4 36.2 61.6 18.1 -7.9 25 29 A L - 0 0 7 17,-0.1 2,-0.2 4,-0.0 20,-0.0 -0.994 61.7-145.6-137.2 130.5 59.4 20.4 -9.9 26 30 A T > - 0 0 57 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.553 28.4-115.7 -92.3 158.1 58.9 20.6 -13.7 27 31 A E H > S+ 0 0 114 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.748 117.7 58.4 -60.6 -22.0 58.2 23.7 -15.7 28 32 A E H > S+ 0 0 150 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.935 107.0 43.4 -72.7 -49.3 54.8 22.2 -16.5 29 33 A E H > S+ 0 0 73 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.864 108.7 58.9 -64.8 -37.0 53.8 21.9 -12.8 30 34 A L H >X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 3,-0.6 0.868 99.6 59.4 -60.7 -36.1 55.1 25.4 -12.1 31 35 A V H 3< S+ 0 0 85 -4,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.906 104.2 48.7 -59.4 -44.0 52.7 26.7 -14.7 32 36 A G H 3< S+ 0 0 67 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.682 112.6 48.9 -71.1 -17.8 49.7 25.4 -12.8 33 37 A L H << S+ 0 0 41 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.705 88.3 103.3 -92.1 -22.9 50.9 26.9 -9.6 34 38 A R < - 0 0 92 -4,-1.6 2,-0.1 -3,-0.2 3,-0.1 -0.408 65.2-137.0 -68.5 129.3 51.6 30.4 -11.0 35 39 A G > - 0 0 18 -2,-0.2 3,-2.4 1,-0.1 2,-0.2 -0.397 38.3 -72.8 -84.3 162.3 49.1 33.1 -10.2 36 40 A L T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.329 121.5 10.6 -56.6 115.3 47.7 35.7 -12.6 37 41 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.291 94.3 131.8 99.4 -10.6 50.5 38.2 -13.3 38 42 A E < - 0 0 18 -3,-2.4 -1,-0.3 1,-0.1 260,-0.1 -0.493 39.2-166.1 -78.1 146.7 53.3 36.3 -11.7 39 43 A Q + 0 0 126 -2,-0.2 -1,-0.1 -3,-0.1 260,-0.1 0.321 34.1 142.8-113.9 5.9 56.6 35.9 -13.6 40 44 A I - 0 0 5 258,-0.1 2,-0.2 4,-0.1 -6,-0.1 -0.212 25.9-177.4 -52.9 125.9 58.2 33.1 -11.5 41 45 A D > - 0 0 79 1,-0.0 4,-1.7 -7,-0.0 5,-0.1 -0.590 43.9 -90.8-115.6-176.9 60.2 30.6 -13.6 42 46 A L H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.801 122.7 58.5 -67.0 -28.0 62.1 27.5 -12.8 43 47 A L H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.927 106.6 47.3 -67.3 -43.8 65.4 29.4 -12.4 44 48 A E H >>S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-1.3 0.867 109.4 53.8 -64.4 -37.7 63.8 31.5 -9.6 45 49 A V H <>S+ 0 0 0 -4,-1.7 5,-2.2 3,-0.2 4,-0.2 0.940 114.2 44.0 -60.8 -43.5 62.5 28.4 -8.0 46 50 A E H <5S+ 0 0 60 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.903 120.3 36.0 -68.3 -47.2 66.0 27.0 -8.0 47 51 A E H <5S+ 0 0 27 -4,-3.0 -30,-0.2 3,-0.1 -3,-0.2 0.777 134.0 20.6 -82.9 -25.6 68.0 30.1 -6.9 48 52 A V T X5S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.3 -3,-0.2 0.830 126.3 38.0-108.8 -52.5 65.4 31.4 -4.4 49 53 A Y H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.855 112.0 55.1 -69.0 -28.1 67.4 27.2 -0.4 52 56 A L H X S+ 0 0 1 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.932 106.9 48.7 -66.8 -44.0 64.3 28.4 1.4 53 57 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.883 111.2 51.3 -62.7 -37.5 62.9 24.8 1.5 54 58 A R H X S+ 0 0 72 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.917 108.3 50.8 -67.0 -42.5 66.2 23.6 2.9 55 59 A L H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.955 111.5 49.2 -59.1 -49.0 66.2 26.2 5.6 56 60 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.943 109.4 48.8 -58.0 -52.7 62.7 25.2 6.7 57 61 A H H X S+ 0 0 19 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.844 108.6 54.7 -60.9 -30.2 63.3 21.5 6.8 58 62 A L H X S+ 0 0 105 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.928 113.7 42.8 -66.7 -40.2 66.4 22.0 8.9 59 63 A Q H X S+ 0 0 60 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.834 103.3 64.5 -74.0 -34.0 64.3 24.0 11.3 60 64 A V H X S+ 0 0 12 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.953 105.0 46.4 -54.0 -51.8 61.3 21.7 11.4 61 65 A A H X S+ 0 0 51 -4,-1.3 4,-0.9 1,-0.2 3,-0.4 0.920 115.2 45.6 -57.4 -47.7 63.3 18.9 12.9 62 66 A A H X S+ 0 0 55 -4,-1.2 4,-1.0 1,-0.2 3,-0.5 0.869 107.1 58.0 -65.9 -37.7 64.9 21.2 15.6 63 67 A R H X S+ 0 0 77 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.812 99.0 60.9 -63.0 -31.1 61.6 22.9 16.5 64 68 A Q H X S+ 0 0 47 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.863 97.7 56.6 -64.7 -38.8 60.2 19.5 17.4 65 69 A R H X S+ 0 0 178 -4,-0.9 4,-1.9 -3,-0.5 -1,-0.2 0.855 103.0 57.3 -61.9 -33.1 62.8 18.9 20.1 66 70 A L H X S+ 0 0 100 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.942 109.8 41.3 -64.9 -47.4 61.7 22.2 21.7 67 71 A F H X S+ 0 0 56 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.873 111.2 57.7 -66.6 -37.2 58.0 21.1 22.1 68 72 A A H X S+ 0 0 53 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.871 102.0 56.3 -60.6 -36.3 59.2 17.7 23.2 69 73 A A H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.934 107.9 46.4 -61.3 -46.2 61.1 19.3 26.0 70 74 A T H X S+ 0 0 82 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.890 112.0 52.1 -62.8 -38.6 58.0 21.0 27.3 71 75 A A H X>S+ 0 0 38 -4,-2.3 5,-1.8 1,-0.2 4,-1.0 0.924 108.3 50.5 -63.4 -44.6 56.1 17.7 27.0 72 76 A E H <5S+ 0 0 160 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.3 52.5 -62.8 -32.9 58.8 15.9 29.0 73 77 A F H <5S+ 0 0 179 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.926 110.3 46.2 -68.0 -45.4 58.5 18.6 31.7 74 78 A L H <5S- 0 0 106 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.628 108.3-127.0 -72.7 -13.0 54.7 18.2 32.0 75 79 A G T <5 + 0 0 60 -4,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.780 51.1 161.0 71.4 25.7 55.2 14.4 32.1 76 80 A E < - 0 0 130 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.673 46.1 -99.8 -83.7 133.2 52.7 14.0 29.2 77 81 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.238 15.7-153.6 -56.6 128.8 52.9 10.6 27.4 78 82 A Q + 0 0 184 4,-0.1 4,-0.1 2,-0.0 -2,-0.0 -0.281 51.0 163.8 -92.2 43.1 54.7 10.5 24.0 79 83 A Q + 0 0 71 -2,-0.3 4,-0.3 2,-0.1 -3,-0.0 -0.012 26.4 3.8 -72.0 167.7 52.4 7.5 23.3 80 84 A N S S- 0 0 104 2,-0.1 2,-0.8 0, 0.0 -2,-0.0 -0.293 122.0 -9.9 64.3-144.3 51.2 5.5 20.3 81 85 A P S S- 0 0 88 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.821 94.4-109.8 -83.2 116.9 52.7 6.2 16.9 82 86 A D - 0 0 87 -2,-0.8 -2,-0.1 -4,-0.1 -3,-0.1 -0.336 35.3-161.5 -56.0 117.2 54.6 9.4 17.8 83 87 A R - 0 0 118 -4,-0.3 -1,-0.1 -2,-0.2 107,-0.0 -0.915 14.7-131.1-107.6 118.6 52.9 12.3 16.1 84 88 A P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 -20,-0.0 -0.170 26.3-101.2 -62.4 152.7 55.0 15.5 15.7 85 89 A V - 0 0 44 1,-0.1 77,-0.1 -21,-0.1 78,-0.1 -0.627 51.3-103.2 -74.0 131.3 53.7 18.9 16.8 86 90 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 107,-0.2 -0.247 27.6-132.2 -56.9 146.3 52.7 20.6 13.5 87 91 A F E -b 193 0A 0 105,-2.1 107,-2.4 104,-0.1 2,-0.5 -0.912 23.3-149.1-100.9 121.4 55.1 23.3 12.3 88 92 A I E -b 194 0A 0 -2,-0.6 127,-3.0 125,-0.3 128,-1.1 -0.841 12.2-168.9-103.4 126.9 53.2 26.4 11.4 89 93 A I E -bc 195 216A 0 105,-2.9 107,-3.1 -2,-0.5 2,-0.4 -0.931 7.0-155.0-114.2 128.6 54.3 28.8 8.7 90 94 A G E -bc 196 217A 0 126,-2.4 128,-2.8 -2,-0.5 2,-0.5 -0.859 6.5-169.1-103.3 134.5 52.8 32.2 8.1 91 95 A V E +bc 197 218A 0 105,-2.5 107,-2.1 -2,-0.4 2,-0.3 -0.972 17.2 170.0-123.9 115.0 53.0 33.8 4.7 92 96 A A E + c 0 219A 0 126,-2.6 128,-2.7 -2,-0.5 2,-0.2 -0.766 10.1 122.7-123.5 169.0 52.0 37.5 4.5 93 97 A G E - c 0 220A 0 105,-0.5 128,-0.1 -2,-0.3 3,-0.1 -0.858 55.3 -63.3 158.2 169.2 52.0 40.4 2.1 94 98 A S > - 0 0 2 126,-0.6 3,-1.4 -2,-0.2 5,-0.4 -0.145 65.4 -78.4 -71.5 170.5 49.8 43.0 0.4 95 99 A V T 3 S+ 0 0 28 1,-0.2 -1,-0.1 178,-0.1 136,-0.1 -0.408 118.1 10.7 -64.7 148.0 47.1 42.2 -2.1 96 100 A A T 3 S+ 0 0 12 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.518 91.2 115.4 59.8 7.7 48.5 41.4 -5.6 97 101 A V S < S- 0 0 0 -3,-1.4 -1,-0.1 123,-0.1 -2,-0.1 0.687 91.7-106.7 -78.7 -16.9 52.1 41.2 -4.2 98 102 A G S > S+ 0 0 8 -4,-0.3 4,-2.0 -5,-0.1 3,-0.2 0.563 75.7 137.2 103.7 13.9 52.1 37.5 -5.2 99 103 A K H > + 0 0 21 -5,-0.4 4,-2.3 1,-0.2 5,-0.2 0.768 68.5 62.5 -63.1 -27.0 51.9 35.8 -1.8 100 104 A S H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 107.2 42.8 -60.6 -52.8 49.4 33.3 -3.1 101 105 A T H > S+ 0 0 3 -3,-0.2 4,-3.2 1,-0.2 5,-0.3 0.941 111.8 54.3 -58.0 -51.8 51.8 31.9 -5.6 102 106 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.906 109.3 48.4 -51.0 -47.1 54.7 31.9 -3.1 103 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.922 113.2 47.0 -62.0 -44.6 52.6 29.9 -0.7 104 108 A R H X S+ 0 0 77 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 112.9 48.2 -64.3 -45.4 51.6 27.3 -3.3 105 109 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.923 111.6 51.0 -61.7 -42.3 55.1 26.9 -4.6 106 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.868 107.8 52.7 -64.5 -37.2 56.4 26.5 -1.1 107 111 A Q H X S+ 0 0 60 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.967 109.4 48.2 -62.5 -51.9 53.9 23.8 -0.3 108 112 A A H X S+ 0 0 16 -4,-2.2 4,-1.2 1,-0.2 3,-0.2 0.928 114.7 46.0 -52.8 -50.4 54.8 21.7 -3.4 109 113 A L H < S+ 0 0 9 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.878 111.3 50.9 -62.2 -42.1 58.5 22.0 -2.6 110 114 A L H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.801 108.7 53.1 -67.5 -28.9 58.1 21.2 1.1 111 115 A A H < S+ 0 0 35 -4,-1.9 2,-0.9 1,-0.2 -1,-0.2 0.749 95.4 68.5 -78.8 -26.0 56.0 18.1 0.3 112 116 A R S < S+ 0 0 108 -4,-1.2 2,-0.3 -3,-0.3 -1,-0.2 -0.283 73.0 122.3 -92.8 51.5 58.5 16.5 -2.1 113 117 A W S > S- 0 0 64 -2,-0.9 3,-2.6 -3,-0.4 -3,-0.0 -0.754 78.6 -98.7-108.3 158.1 61.2 15.7 0.5 114 118 A D T 3 S+ 0 0 156 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.761 121.1 49.7 -45.9 -38.0 62.6 12.2 1.2 115 119 A H T 3 S- 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.318 105.1-127.6 -89.3 10.3 60.4 11.6 4.2 116 120 A H < - 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