==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 04-SEP-13 4MK6 . COMPND 2 MOLECULE: PROBABLE DIHYDROXYACETONE KINASE REGULATOR DHSK_R . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR Y.KIM,R.WU,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 2 1 0 2 0 0 0 2 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 155 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-167.0 -7.1 22.8 -13.2 2 -1 A N > + 0 0 107 2,-0.1 4,-1.8 1,-0.1 5,-0.1 0.017 360.0 122.7-126.8 25.4 -4.2 22.2 -10.7 3 0 A A T 4 S+ 0 0 68 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.916 78.7 38.0 -55.3 -54.1 -2.2 25.3 -11.4 4 1 A X T >4 S+ 0 0 120 1,-0.2 3,-1.3 2,-0.2 6,-0.6 0.873 114.5 54.9 -69.2 -38.0 -2.1 26.7 -7.8 5 2 A A T 34 S+ 0 0 27 1,-0.3 -1,-0.2 5,-0.1 -2,-0.2 0.812 113.4 42.4 -64.7 -30.7 -1.7 23.2 -6.2 6 3 A E T 3< S+ 0 0 83 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.219 97.1 112.6 -99.5 12.9 1.3 22.6 -8.4 7 4 A S S <> S- 0 0 27 -3,-1.3 4,-1.8 1,-0.1 5,-0.1 -0.340 79.9-116.7 -86.8 164.9 2.8 26.1 -7.9 8 5 A L H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.816 115.7 63.6 -64.5 -31.7 5.9 27.3 -6.1 9 6 A I H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 104.5 43.3 -56.4 -51.5 3.5 29.1 -3.8 10 7 A T H > S+ 0 0 11 -6,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.898 111.7 55.1 -61.6 -41.7 1.9 25.9 -2.5 11 8 A K H X S+ 0 0 51 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.894 110.1 45.7 -59.7 -40.8 5.4 24.3 -2.2 12 9 A K H X S+ 0 0 124 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.835 108.4 56.8 -71.6 -33.0 6.5 27.2 0.0 13 10 A A H X S+ 0 0 49 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.826 104.2 53.9 -65.6 -32.4 3.3 26.9 2.0 14 11 A I H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 108.1 47.5 -68.9 -44.3 4.1 23.3 2.7 15 12 A A H X S+ 0 0 8 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.900 111.4 53.0 -60.9 -40.8 7.6 24.2 4.1 16 13 A G H X S+ 0 0 35 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.825 106.4 52.9 -63.6 -33.9 5.8 26.8 6.2 17 14 A G H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.912 107.5 50.7 -66.4 -44.0 3.4 24.2 7.5 18 15 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.928 109.6 50.3 -58.1 -47.6 6.3 22.0 8.6 19 16 A X H < S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 110.8 50.3 -61.9 -32.9 7.9 24.9 10.4 20 17 A E H >< S+ 0 0 89 -4,-1.4 3,-1.3 1,-0.2 4,-0.3 0.915 109.9 48.7 -72.4 -44.7 4.7 25.7 12.2 21 18 A L H >X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.3 3,-2.3 0.876 100.2 66.2 -60.7 -39.2 4.1 22.1 13.3 22 19 A C T 3< S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.589 92.1 64.9 -61.9 -9.4 7.7 21.9 14.7 23 20 A Q T <4 S+ 0 0 107 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.694 118.9 19.7 -84.0 -20.9 6.6 24.5 17.2 24 21 A H T <4 S+ 0 0 140 -3,-2.3 2,-0.4 -4,-0.3 -2,-0.2 0.548 124.5 46.8-121.4 -16.8 4.1 22.1 18.9 25 22 A K S < S- 0 0 73 -4,-2.4 -1,-0.2 3,-0.0 5,-0.1 -0.992 81.7-107.7-141.5 134.8 5.2 18.6 17.8 26 23 A R >> - 0 0 133 -2,-0.4 3,-1.2 1,-0.1 4,-0.9 -0.328 31.7-124.4 -59.3 140.2 8.5 16.7 17.7 27 24 A F T 34 S+ 0 0 2 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.824 110.0 60.6 -58.8 -33.0 9.7 16.2 14.1 28 25 A E T 34 S+ 0 0 81 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.814 107.3 45.3 -62.8 -31.5 9.9 12.5 14.6 29 26 A K T <4 S+ 0 0 139 -3,-1.2 2,-0.3 2,-0.1 -1,-0.2 0.594 87.8 107.2 -90.8 -12.9 6.1 12.4 15.3 30 27 A I < - 0 0 3 -4,-0.9 2,-0.2 -3,-0.5 23,-0.1 -0.507 51.2-169.6 -68.4 127.9 5.1 14.7 12.4 31 28 A S > - 0 0 55 -2,-0.3 4,-1.6 1,-0.1 3,-0.1 -0.703 36.6-107.4-111.6 169.2 3.4 12.8 9.6 32 29 A I H > S+ 0 0 26 -2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.918 120.2 56.7 -58.2 -45.7 2.4 13.8 6.1 33 30 A A H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 105.0 51.7 -56.2 -39.3 -1.3 13.9 7.1 34 31 A D H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 112.0 47.5 -61.7 -42.0 -0.4 16.4 9.8 35 32 A I H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.952 114.0 43.8 -65.6 -52.9 1.4 18.5 7.2 36 33 A T H X>S+ 0 0 6 -4,-3.0 5,-2.9 1,-0.2 4,-0.8 0.822 112.8 55.6 -63.5 -31.6 -1.4 18.5 4.6 37 34 A N H <5S+ 0 0 125 -4,-2.0 3,-0.4 -5,-0.3 -1,-0.2 0.931 110.0 42.1 -66.2 -48.3 -3.9 19.1 7.4 38 35 A I H <5S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.759 118.8 47.3 -71.6 -23.6 -2.3 22.3 8.7 39 36 A C H <5S- 0 0 33 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.569 108.6-126.4 -91.4 -11.2 -1.7 23.4 5.1 40 37 A G T <5 + 0 0 67 -4,-0.8 -3,-0.2 -3,-0.4 2,-0.2 0.861 68.6 121.2 68.2 36.6 -5.3 22.6 4.1 41 38 A L < - 0 0 50 -5,-2.9 -1,-0.2 -6,-0.1 2,-0.2 -0.626 60.0-110.9-119.7 177.1 -4.1 20.4 1.2 42 39 A N > - 0 0 74 -2,-0.2 4,-1.3 -3,-0.1 3,-0.4 -0.643 30.5-106.6-106.6 170.8 -4.5 16.7 0.2 43 40 A R H > S+ 0 0 157 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.882 116.4 57.0 -65.0 -40.9 -2.0 13.9 0.1 44 41 A Q H > S+ 0 0 154 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.822 104.6 54.3 -61.0 -31.6 -1.6 13.9 -3.7 45 42 A T H >> S+ 0 0 19 -3,-0.4 4,-0.9 2,-0.2 3,-0.5 0.895 107.7 50.1 -67.0 -41.6 -0.7 17.6 -3.6 46 43 A F H >X S+ 0 0 1 -4,-1.3 4,-2.6 1,-0.2 3,-1.2 0.956 108.9 49.7 -61.4 -52.1 2.1 16.9 -1.2 47 44 A Y H 3< S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.570 100.3 66.6 -70.7 -8.4 3.7 14.0 -3.2 48 45 A Y H << S+ 0 0 132 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.861 115.3 28.0 -70.9 -37.7 3.6 16.2 -6.3 49 46 A H H << S+ 0 0 24 -3,-1.2 2,-0.3 -4,-0.9 -2,-0.2 0.811 128.8 26.2 -94.0 -36.3 6.2 18.4 -4.6 50 47 A F < - 0 0 4 -4,-2.6 -1,-0.2 -5,-0.1 3,-0.1 -0.944 52.4-147.2-135.5 152.3 8.1 16.0 -2.3 51 48 A T S S- 0 0 92 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.818 84.4 -23.6 -82.5 -34.5 8.9 12.3 -2.0 52 49 A D S > S- 0 0 61 -6,-0.1 4,-2.0 -20,-0.0 -1,-0.2 -0.924 74.8 -82.3-163.1-177.6 8.8 12.4 1.8 53 50 A K H > S+ 0 0 21 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.704 124.4 55.3 -75.9 -18.6 9.2 14.6 4.9 54 51 A Y H > S+ 0 0 107 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.834 106.6 50.3 -79.6 -34.6 13.0 14.4 4.8 55 52 A D H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.934 112.7 48.1 -63.1 -46.9 13.0 15.6 1.2 56 53 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.917 111.7 48.9 -57.5 -47.6 10.7 18.5 2.4 57 54 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.912 111.5 49.5 -60.8 -43.5 13.0 19.2 5.4 58 55 A T H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 113.3 46.8 -60.2 -45.2 16.1 19.2 3.1 59 56 A W H X S+ 0 0 34 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.899 109.2 55.0 -62.9 -42.0 14.2 21.6 0.7 60 57 A T H < S+ 0 0 5 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.900 110.2 45.3 -60.0 -43.9 13.2 23.8 3.6 61 58 A Y H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 6,-0.4 0.932 114.8 48.4 -62.2 -48.3 16.8 24.2 4.8 62 59 A E H 3< S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.838 117.3 40.9 -63.7 -36.2 18.0 24.9 1.2 63 60 A N T 3< S+ 0 0 76 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.200 91.8 117.0 -99.4 16.7 15.3 27.4 0.5 64 61 A D S X> S- 0 0 19 -3,-1.2 4,-2.4 -5,-0.1 3,-0.8 -0.494 80.7-108.2 -84.4 157.4 15.5 29.1 3.9 65 62 A F H 3> S+ 0 0 114 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.767 119.4 58.7 -54.6 -31.4 16.5 32.7 4.4 66 63 A F H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.924 110.6 41.3 -63.6 -43.9 19.8 31.6 5.8 67 64 A H H <> S+ 0 0 36 -3,-0.8 4,-1.6 -6,-0.4 -2,-0.2 0.875 113.0 52.0 -75.0 -38.9 20.6 29.7 2.7 68 65 A C H X S+ 0 0 75 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.911 113.4 46.4 -60.9 -42.8 19.3 32.4 0.3 69 66 A L H < S+ 0 0 21 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.872 109.9 54.6 -63.4 -39.3 21.5 34.9 2.1 70 67 A A H >< S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.804 97.4 61.4 -71.9 -31.9 24.5 32.6 2.1 71 68 A D H 3< S+ 0 0 103 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 105.2 48.9 -62.1 -36.5 24.7 32.0 -1.7 72 69 A G T 3< S+ 0 0 44 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.3 0.161 82.0 137.0 -91.6 18.7 25.2 35.7 -2.3 73 70 A I < + 0 0 24 -3,-1.4 2,-0.2 8,-0.1 -3,-0.1 -0.512 23.9 170.3 -70.5 125.0 28.0 36.1 0.2 74 71 A T - 0 0 76 -2,-0.3 4,-0.4 1,-0.0 7,-0.1 -0.623 49.7-103.0-114.2-177.9 31.0 38.1 -0.9 75 72 A L S S+ 0 0 104 -2,-0.2 4,-0.4 2,-0.2 3,-0.1 0.788 121.4 56.1 -75.1 -27.3 33.9 39.4 1.2 76 73 A G S S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.816 118.1 30.2 -74.4 -32.5 32.3 42.8 1.2 77 74 A N S > S+ 0 0 37 1,-0.1 4,-3.6 -5,-0.1 5,-0.3 0.322 91.5 105.5-106.3 5.4 29.0 41.7 2.7 78 75 A W H > S+ 0 0 30 -4,-0.4 4,-2.8 1,-0.2 5,-0.4 0.934 80.0 45.8 -50.8 -62.0 30.5 38.8 4.7 79 76 A D H > S+ 0 0 125 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.871 121.1 40.2 -50.8 -42.8 30.2 40.4 8.1 80 77 A K H > S+ 0 0 145 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 116.8 47.2 -78.2 -38.9 26.7 41.6 7.4 81 78 A H H X S+ 0 0 38 -4,-3.6 4,-1.9 2,-0.2 -2,-0.2 0.851 111.8 48.7 -74.4 -37.7 25.4 38.5 5.6 82 79 A V H X S+ 0 0 6 -4,-2.8 4,-2.1 -5,-0.3 5,-0.2 0.936 113.3 47.5 -66.4 -47.4 26.7 35.9 8.1 83 80 A L H X S+ 0 0 35 -4,-1.2 4,-2.2 -5,-0.4 -2,-0.2 0.910 113.4 48.0 -59.6 -44.8 25.3 37.8 11.1 84 81 A K H X S+ 0 0 68 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.873 109.2 55.2 -63.4 -38.1 21.9 38.2 9.3 85 82 A X H X S+ 0 0 5 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.890 109.7 44.9 -61.8 -42.9 22.0 34.5 8.4 86 83 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.884 110.1 53.9 -71.5 -40.6 22.4 33.4 12.1 87 84 A E H X S+ 0 0 82 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.845 106.7 54.0 -61.1 -34.6 19.7 35.9 13.3 88 85 A S H X S+ 0 0 13 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.878 107.1 49.3 -68.6 -39.5 17.3 34.3 10.8 89 86 A I H < S+ 0 0 0 -4,-1.4 3,-0.3 1,-0.2 7,-0.3 0.895 112.3 49.3 -63.8 -40.2 18.0 30.8 12.2 90 87 A K H >< S+ 0 0 94 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.846 102.3 60.1 -69.1 -35.3 17.4 32.1 15.7 91 88 A E H 3< S+ 0 0 168 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.798 112.3 41.4 -60.8 -28.3 14.1 33.8 14.6 92 89 A N T 3X S+ 0 0 56 -4,-0.9 4,-2.2 -3,-0.3 -1,-0.3 -0.274 79.7 141.2-108.5 43.1 13.1 30.2 13.7 93 90 A A H <> + 0 0 27 -3,-1.7 4,-3.3 1,-0.2 5,-0.3 0.899 66.8 50.9 -52.4 -53.4 14.6 28.7 16.9 94 91 A D H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 111.4 47.7 -54.8 -47.8 11.9 26.2 17.6 95 92 A F H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.927 117.8 40.9 -61.0 -46.8 11.9 24.8 14.0 96 93 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 -7,-0.3 5,-0.3 0.939 114.6 48.9 -69.7 -48.2 15.7 24.4 13.9 97 94 A K H X S+ 0 0 95 -4,-3.3 4,-1.4 -5,-0.2 -1,-0.2 0.874 115.0 48.4 -60.3 -36.3 16.2 23.1 17.4 98 95 A N H X S+ 0 0 27 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.979 116.3 38.2 -65.4 -59.6 13.5 20.6 16.8 99 96 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.841 116.4 51.6 -66.5 -36.5 14.6 19.2 13.4 100 97 A V H < S+ 0 0 3 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.885 108.2 52.1 -67.0 -39.3 18.4 19.3 14.3 101 98 A S H < S+ 0 0 76 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.818 111.1 49.1 -65.3 -30.9 17.7 17.4 17.5 102 99 A A H < S- 0 0 32 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 140.9 -11.6 -73.5 -42.9 15.9 14.8 15.5 103 100 A D >X + 0 0 59 -4,-2.0 3,-1.2 -5,-0.1 4,-0.5 -0.549 60.3 179.4-163.2 87.5 18.6 14.4 12.8 104 101 A A H 3> S+ 0 0 30 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.647 73.4 79.0 -67.5 -17.0 21.4 17.0 12.8 105 102 A S H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.793 87.3 57.8 -65.8 -28.2 23.1 15.3 9.8 106 103 A I H <> S+ 0 0 24 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.954 113.6 35.7 -67.5 -51.7 20.7 16.9 7.4 107 104 A L H X S+ 0 0 0 -4,-0.5 4,-3.0 2,-0.2 5,-0.3 0.900 116.5 56.0 -67.6 -40.3 21.5 20.5 8.3 108 105 A S H X S+ 0 0 38 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.924 108.7 46.6 -56.8 -47.6 25.1 19.6 8.9 109 106 A F H X S+ 0 0 138 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.916 114.1 48.5 -60.3 -45.6 25.4 18.2 5.4 110 107 A C H X S+ 0 0 13 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.926 114.8 43.2 -61.9 -47.4 23.7 21.3 3.9 111 108 A F H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.811 112.0 54.1 -72.4 -31.0 25.8 23.8 5.8 112 109 A S H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.880 106.0 52.6 -69.4 -39.8 29.0 22.0 5.1 113 110 A K H X 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