==== 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 TRANSCRIPTION 29-MAR-07 2UXP . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.ALGUEL,C.MENG,W.TERAN,T.KRELL,J.L.RAMOS,M.-T.GALLEGOS,X.ZH . 411 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 81.5 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 . 2 0.5 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 . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 0 1 4 0 0 1 2 0 3 0 1 0 2 0 0 3 0 0 0 0 1 1 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 . 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 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 5 A T 0 0 150 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.5 31.3 13.8 -21.3 2 6 A K >> - 0 0 67 1,-0.2 4,-1.7 3,-0.1 3,-1.5 0.023 360.0-144.8 -40.1 117.1 29.2 10.9 -22.9 3 7 A E H 3> S+ 0 0 73 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.773 97.1 68.3 -56.6 -28.6 26.0 12.5 -24.1 4 8 A E H 3> S+ 0 0 61 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.846 105.3 40.2 -58.7 -37.2 24.3 9.2 -23.1 5 9 A A H <> S+ 0 0 22 -3,-1.5 4,-2.7 2,-0.2 5,-0.2 0.920 110.4 55.8 -78.4 -48.1 24.9 10.0 -19.4 6 10 A Q H X S+ 0 0 65 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.829 110.4 48.2 -54.1 -33.6 24.2 13.7 -19.6 7 11 A E H X S+ 0 0 108 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.855 109.1 51.9 -75.2 -35.9 20.8 12.8 -21.0 8 12 A T H X S+ 0 0 33 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.875 109.4 50.4 -68.9 -38.1 20.1 10.1 -18.3 9 13 A R H X S+ 0 0 107 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.954 107.3 52.4 -60.7 -52.2 20.9 12.7 -15.5 10 14 A A H X S+ 0 0 63 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.744 112.0 48.9 -55.8 -25.4 18.5 15.3 -17.1 11 15 A Q H X S+ 0 0 86 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.836 107.5 51.9 -84.3 -38.9 15.9 12.5 -17.0 12 16 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 -3,-0.2 -2,-0.2 0.937 112.6 47.4 -59.6 -47.5 16.5 11.5 -13.4 13 17 A I H X S+ 0 0 34 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.900 109.8 51.3 -63.1 -43.1 16.1 15.1 -12.3 14 18 A E H X S+ 0 0 39 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.885 114.0 45.1 -61.0 -40.0 12.9 15.6 -14.3 15 19 A A H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.772 106.9 58.0 -76.2 -31.2 11.4 12.5 -12.7 16 20 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.906 107.0 50.0 -61.5 -43.4 12.5 13.4 -9.2 17 21 A E H X S+ 0 0 7 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.944 112.9 44.7 -59.8 -51.5 10.6 16.7 -9.6 18 22 A R H X S+ 0 0 56 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.848 119.3 44.9 -63.3 -35.3 7.4 14.8 -10.8 19 23 A A H >X>S+ 0 0 19 -4,-2.4 4,-2.7 2,-0.2 3,-1.1 0.996 112.6 45.3 -70.6 -69.8 7.9 12.3 -8.0 20 24 A F H 3X5S+ 0 0 1 -4,-3.0 4,-1.0 1,-0.3 -2,-0.2 0.804 112.8 55.9 -44.0 -37.8 8.7 14.5 -5.0 21 25 A Y H 3<5S+ 0 0 85 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.915 116.3 33.0 -63.5 -44.1 5.8 16.7 -6.1 22 26 A K H <<5S+ 0 0 142 -4,-1.3 301,-0.7 -3,-1.1 -2,-0.2 0.898 138.6 17.1 -82.5 -39.9 3.2 13.9 -6.1 23 27 A R H <5S- 0 0 37 -4,-2.7 4,-0.4 -5,-0.1 -3,-0.2 0.659 104.7-122.2-107.7 -23.7 4.5 11.8 -3.2 24 28 A G << - 0 0 0 -4,-1.0 89,-0.2 -5,-0.8 -3,-0.1 -0.033 24.6 -85.1 94.7 158.5 6.9 14.1 -1.3 25 29 A V S > S+ 0 0 2 87,-3.0 3,-0.8 83,-0.2 88,-0.2 0.868 118.1 57.8 -69.4 -37.5 10.6 13.9 -0.4 26 30 A A T 3 S+ 0 0 15 86,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.926 111.3 35.1 -61.4 -53.8 10.1 11.9 2.8 27 31 A R T 3 S+ 0 0 96 -4,-0.4 2,-0.4 -7,-0.1 -1,-0.2 -0.317 96.0 100.7-100.5 47.8 8.2 8.8 1.5 28 32 A T < - 0 0 4 -3,-0.8 2,-0.2 -2,-0.4 23,-0.0 -0.942 54.3-159.1-138.3 112.4 10.0 8.5 -1.8 29 33 A T >> - 0 0 51 -2,-0.4 3,-1.4 1,-0.1 4,-0.7 -0.571 30.0-117.7 -86.8 153.0 12.8 6.1 -2.4 30 34 A L H >> S+ 0 0 17 1,-0.3 4,-1.6 -2,-0.2 3,-0.5 0.799 114.9 65.7 -57.2 -30.3 15.3 6.5 -5.2 31 35 A A H 3> S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.808 93.9 60.3 -59.5 -31.6 14.0 3.1 -6.6 32 36 A D H <> S+ 0 0 85 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.841 104.1 48.3 -67.1 -35.1 10.7 4.9 -7.2 33 37 A I H S+ 0 0 10 -4,-1.6 5,-2.0 2,-0.2 4,-1.3 0.952 109.9 40.5 -53.8 -52.4 14.2 4.5 -11.4 35 39 A E H <5S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 117.5 50.0 -65.1 -37.1 10.8 3.1 -12.4 36 40 A L H <5S+ 0 0 68 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 116.6 39.1 -70.4 -36.9 9.5 6.6 -13.1 37 41 A A H <5S- 0 0 20 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.581 106.9-124.1 -91.0 -10.5 12.4 7.6 -15.3 38 42 A G T <5 + 0 0 68 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.879 68.4 124.0 69.4 41.4 12.7 4.2 -17.0 39 43 A V < - 0 0 31 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.924 68.6 -88.6-132.8 153.1 16.3 3.8 -16.0 40 44 A T > - 0 0 102 -2,-0.3 4,-1.1 1,-0.1 3,-0.5 -0.305 33.5-127.1 -59.8 142.9 18.4 1.2 -14.1 41 45 A R H >> S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.919 108.8 54.9 -58.3 -49.6 18.7 1.7 -10.3 42 46 A G H 3> S+ 0 0 42 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.777 100.2 63.4 -56.6 -29.0 22.5 1.6 -10.2 43 47 A A H 3> S+ 0 0 20 -3,-0.5 4,-2.7 2,-0.2 -1,-0.3 0.935 101.9 47.8 -60.7 -47.9 22.4 4.3 -12.8 44 48 A I H > S- 0 0 65 1,-0.1 3,-1.4 -20,-0.0 4,-1.0 -0.641 79.5-101.9-109.2 164.8 21.6 9.5 -1.6 51 55 A K H 3> S+ 0 0 35 1,-0.3 4,-2.3 -2,-0.2 3,-0.4 0.842 119.7 62.2 -49.0 -39.9 18.2 11.2 -2.0 52 56 A A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.842 96.7 59.3 -58.1 -33.1 19.6 14.4 -0.4 53 57 A E H <> S+ 0 0 56 -3,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.901 108.0 45.4 -61.5 -40.9 22.1 14.6 -3.3 54 58 A L H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.4 3,-0.5 0.958 108.3 53.5 -67.7 -56.4 19.1 14.8 -5.7 55 59 A V H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.3 5,-0.2 0.905 107.1 55.6 -42.8 -46.1 17.2 17.4 -3.7 56 60 A Q H X S+ 0 0 48 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.912 104.3 52.2 -55.5 -45.4 20.3 19.4 -3.8 57 61 A A H X S+ 0 0 13 -4,-1.5 4,-1.9 -3,-0.5 -1,-0.2 0.856 109.3 50.1 -59.1 -37.6 20.3 19.3 -7.6 58 62 A L H X S+ 0 0 1 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.938 109.2 50.0 -67.5 -46.3 16.7 20.5 -7.6 59 63 A L H >< S+ 0 0 19 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.902 110.0 54.5 -53.9 -41.5 17.5 23.4 -5.3 60 64 A D H >X S+ 0 0 82 -4,-2.2 3,-2.2 1,-0.2 4,-0.7 0.897 93.2 65.3 -63.3 -47.0 20.5 24.2 -7.7 61 65 A S H 3X S+ 0 0 53 -4,-1.9 4,-0.6 1,-0.3 3,-0.3 0.698 94.1 66.3 -49.7 -21.7 18.5 24.5 -10.9 62 66 A L H << S+ 0 0 24 -3,-1.0 -1,-0.3 -4,-0.6 4,-0.2 0.809 95.6 52.4 -71.9 -31.4 16.8 27.5 -9.4 63 67 A H H X> S+ 0 0 106 -3,-2.2 4,-1.3 -4,-0.4 3,-0.6 0.625 91.7 76.2 -84.6 -15.6 19.9 29.7 -9.3 64 68 A E H >< S+ 0 0 71 -4,-0.7 3,-0.7 -3,-0.3 4,-0.4 0.938 89.3 53.9 -59.4 -50.3 20.8 29.3 -13.0 65 69 A T T 3< S+ 0 0 68 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.687 119.5 34.8 -63.6 -17.8 18.1 31.6 -14.4 66 70 A H T <> S+ 0 0 21 -3,-0.6 4,-2.4 -4,-0.2 5,-0.3 0.538 81.5 105.1-114.4 -11.6 19.3 34.5 -12.2 67 71 A D H S+ 0 0 144 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.948 113.2 36.1 -53.5 -63.0 23.7 36.9 -14.3 69 73 A L H > S+ 0 0 19 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.894 115.6 56.6 -61.7 -42.9 21.8 39.6 -12.5 70 74 A A H X S+ 0 0 26 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.921 110.0 44.3 -53.8 -50.4 22.8 38.2 -9.1 71 75 A R H >X S+ 0 0 45 -4,-2.7 4,-2.3 -5,-0.3 3,-1.0 0.921 113.7 50.3 -60.3 -48.5 26.5 38.5 -9.9 72 76 A A H 3< S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 107.9 53.9 -54.5 -46.2 26.1 42.0 -11.4 73 77 A S H 3< S+ 0 0 8 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.626 113.3 43.0 -67.1 -15.4 24.2 43.1 -8.3 74 78 A E H << S+ 0 0 45 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.773 85.8 109.2-100.7 -32.9 27.1 42.0 -6.1 75 79 A S >< - 0 0 48 -4,-2.3 3,-1.2 1,-0.2 -3,-0.0 -0.161 65.0-142.3 -48.6 130.5 30.0 43.3 -8.2 76 80 A E T 3 S+ 0 0 118 1,-0.3 -1,-0.2 5,-0.0 -4,-0.0 0.760 102.2 56.3 -66.4 -26.6 31.7 46.3 -6.6 77 81 A D T 3 S+ 0 0 138 -5,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.428 78.8 118.3 -87.3 -2.7 32.1 47.9 -10.1 78 82 A E < - 0 0 49 -3,-1.2 -5,-0.0 -6,-0.2 -6,-0.0 -0.542 53.2-156.8 -68.2 125.2 28.4 47.7 -10.8 79 83 A V S S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.875 85.9 29.9 -72.0 -40.1 27.0 51.2 -11.3 80 84 A D > + 0 0 72 1,-0.1 4,-2.1 2,-0.1 3,-0.3 -0.570 65.1 159.0-123.8 68.1 23.3 50.5 -10.4 81 85 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.818 77.7 52.4 -64.7 -32.1 23.3 47.6 -7.8 82 86 A L H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.854 107.7 52.5 -69.9 -35.2 19.8 48.4 -6.6 83 87 A G H > S+ 0 0 14 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.914 110.3 48.7 -63.4 -44.1 18.5 48.4 -10.1 84 88 A C H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.936 111.0 49.2 -57.0 -51.4 20.0 44.9 -10.6 85 89 A M H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.859 112.2 49.6 -60.0 -37.0 18.5 43.7 -7.3 86 90 A R H X S+ 0 0 70 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.959 111.9 46.1 -65.2 -52.2 15.1 45.0 -8.4 87 91 A K H X S+ 0 0 121 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.869 110.6 55.7 -60.5 -39.4 15.3 43.4 -11.9 88 92 A L H X S+ 0 0 29 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.917 107.2 46.9 -57.0 -48.3 16.4 40.1 -10.3 89 93 A L H X S+ 0 0 14 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.853 111.7 52.1 -68.0 -31.9 13.4 39.9 -7.9 90 94 A L H X S+ 0 0 25 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.897 109.7 48.9 -65.6 -42.5 11.1 40.7 -10.9 91 95 A Q H X S+ 0 0 71 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.661 110.4 53.3 -72.0 -18.0 12.8 37.9 -12.8 92 96 A V H X S+ 0 0 29 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.903 111.6 42.5 -80.1 -47.7 12.3 35.6 -9.7 93 97 A F H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.915 113.0 52.9 -66.2 -43.2 8.5 36.3 -9.5 94 98 A N H X S+ 0 0 57 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.958 110.0 47.0 -53.8 -56.9 7.9 36.0 -13.2 95 99 A E H X S+ 0 0 24 -4,-1.0 4,-1.5 1,-0.2 8,-0.3 0.791 111.7 53.9 -53.7 -33.5 9.6 32.6 -13.5 96 100 A L H < S+ 0 0 3 -4,-1.4 -1,-0.2 2,-0.2 7,-0.2 0.949 115.7 36.8 -66.9 -49.8 7.6 31.5 -10.5 97 101 A V H < S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.834 130.1 31.2 -72.4 -34.2 4.3 32.5 -12.0 98 102 A L H < S+ 0 0 120 -4,-3.2 2,-0.9 -5,-0.2 -3,-0.2 0.891 104.2 68.9 -95.5 -45.7 5.1 31.5 -15.6 99 103 A D >X - 0 0 63 -4,-1.5 4,-2.0 -5,-0.3 3,-0.6 -0.709 58.1-164.6 -88.0 106.2 7.6 28.5 -15.4 100 104 A A H 3> S+ 0 0 31 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.808 89.5 59.7 -56.8 -34.4 5.8 25.4 -14.1 101 105 A R H 3> S+ 0 0 149 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 107.6 45.2 -59.4 -44.7 9.1 23.7 -13.4 102 106 A T H <> S+ 0 0 8 -3,-0.6 4,-2.3 -7,-0.3 -2,-0.2 0.897 112.1 50.7 -69.5 -41.6 10.1 26.6 -11.1 103 107 A R H X S+ 0 0 81 -4,-2.0 4,-2.7 -8,-0.3 -2,-0.2 0.934 111.1 50.1 -58.2 -47.6 6.8 26.5 -9.3 104 108 A R H X S+ 0 0 99 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.874 110.2 47.7 -64.2 -40.7 7.0 22.8 -8.8 105 109 A I H X S+ 0 0 4 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.925 114.1 47.7 -67.9 -43.4 10.5 22.8 -7.3 106 110 A N H X S+ 0 0 21 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.889 109.9 52.3 -62.9 -39.0 9.6 25.6 -5.0 107 111 A E H X>S+ 0 0 9 -4,-2.7 4,-3.4 2,-0.2 5,-0.6 0.939 113.1 45.8 -61.0 -44.0 6.4 23.8 -4.0 108 112 A I H X5S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.933 114.1 48.4 -60.4 -48.8 8.6 20.8 -3.2 109 113 A L H <5S+ 0 0 16 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.830 124.5 29.6 -61.3 -35.2 11.1 22.9 -1.4 110 114 A H H <5S+ 0 0 15 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.777 135.4 17.8 -99.5 -32.6 8.5 24.7 0.7 111 115 A H H <5S+ 0 0 5 -4,-3.4 210,-3.0 -5,-0.3 -3,-0.2 0.448 122.9 44.4-124.9 -2.8 5.6 22.2 1.1 112 116 A K S < - 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