==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-JAN-10 3LEO . COMPND 2 MOLECULE: LEUKOTRIENE C4 SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.NIEGOWSKI,D.MARTINEZ-MOLINA,A.RINALDO-MATTHIS,P.NORDLUND, . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 82.0 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 2 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 -4 A H 0 0 193 0, 0.0 2,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 134.9 -31.8 -44.5 52.0 2 -3 A H - 0 0 139 2,-0.2 3,-0.0 0, 0.0 0, 0.0 -0.090 360.0-102.6 70.1 128.9 -34.0 -43.5 50.1 3 -2 A H S S+ 0 0 176 -2,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.045 102.9 57.8-107.5 26.3 -33.4 -44.1 46.4 4 -1 A H - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 -0.971 65.7-152.8-152.1 155.2 -32.3 -40.5 45.9 5 0 A H - 0 0 123 -2,-0.3 3,-0.2 -4,-0.1 -2,-0.0 -0.934 11.2-156.6-127.4 137.3 -29.5 -38.2 47.4 6 1 A H S > S+ 0 0 110 -2,-0.3 3,-1.4 1,-0.1 4,-0.3 0.249 72.2 103.4 -97.2 10.3 -29.7 -34.4 47.6 7 2 A K G >> S+ 0 0 143 1,-0.3 3,-1.6 2,-0.2 4,-0.9 0.848 71.7 60.6 -54.6 -42.5 -25.8 -34.3 47.7 8 3 A D G 34 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.627 100.6 56.4 -68.3 -9.1 -25.7 -33.2 44.1 9 4 A E G <4 S+ 0 0 112 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.536 119.7 25.9 -95.2 -7.3 -27.6 -30.1 45.0 10 5 A V T <> S+ 0 0 38 -3,-1.6 4,-2.5 -4,-0.3 -2,-0.2 0.287 83.4 108.5-139.3 6.5 -25.2 -28.8 47.7 11 6 A A H X S+ 0 0 56 -4,-0.9 4,-2.0 1,-0.2 5,-0.1 0.820 83.5 49.1 -65.0 -35.0 -21.8 -30.3 46.8 12 7 A L H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 112.7 48.6 -68.3 -40.7 -20.3 -26.9 45.8 13 8 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.885 112.2 48.8 -62.3 -40.8 -21.6 -25.3 49.0 14 9 A A H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.900 111.7 49.3 -66.2 -40.2 -20.1 -28.2 51.0 15 10 A A H X S+ 0 0 61 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 113.0 45.8 -65.5 -43.6 -16.7 -27.8 49.1 16 11 A V H X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.862 111.9 54.0 -67.6 -36.4 -16.6 -24.0 49.8 17 12 A T H X S+ 0 0 27 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.935 109.5 46.9 -58.4 -48.2 -17.6 -24.8 53.4 18 13 A L H X S+ 0 0 108 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.887 109.9 52.7 -65.6 -38.8 -14.7 -27.2 53.7 19 14 A L H X S+ 0 0 81 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.897 107.6 52.8 -61.2 -40.0 -12.3 -24.7 52.2 20 15 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.902 108.7 50.0 -59.7 -45.7 -13.6 -22.1 54.7 21 16 A V H X S+ 0 0 70 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 110.1 49.9 -59.6 -45.9 -12.8 -24.6 57.6 22 17 A L H X S+ 0 0 104 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.870 109.8 50.9 -61.3 -41.1 -9.2 -25.2 56.2 23 18 A L H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.914 110.5 48.8 -61.7 -42.9 -8.6 -21.4 56.0 24 19 A Q H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.883 109.5 53.2 -64.5 -38.4 -9.8 -21.0 59.7 25 20 A A H X S+ 0 0 45 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.935 107.9 51.1 -58.5 -47.7 -7.5 -23.9 60.6 26 21 A Y H X S+ 0 0 89 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 108.9 50.0 -53.5 -48.6 -4.6 -22.0 58.9 27 22 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.906 111.2 49.9 -59.3 -44.7 -5.4 -18.8 60.8 28 23 A S H X S+ 0 0 48 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 109.4 49.8 -60.9 -45.6 -5.4 -20.8 64.1 29 24 A L H X S+ 0 0 112 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.855 108.9 54.2 -61.6 -35.1 -2.0 -22.4 63.3 30 25 A Q H X S+ 0 0 68 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.856 107.0 50.0 -68.5 -37.0 -0.6 -18.9 62.5 31 26 A V H X S+ 0 0 8 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.926 109.5 50.7 -61.7 -47.3 -1.7 -17.7 66.0 32 27 A I H X S+ 0 0 85 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.933 112.1 49.5 -56.4 -41.6 -0.0 -20.7 67.7 33 28 A S H X S+ 0 0 58 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.914 109.1 49.6 -64.2 -43.8 3.0 -19.8 65.6 34 29 A A H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 6,-0.2 0.900 107.2 56.5 -64.1 -37.4 2.9 -16.1 66.7 35 30 A R H X>S+ 0 0 48 -4,-2.8 5,-1.5 2,-0.2 4,-0.6 0.906 110.5 44.7 -55.1 -45.8 2.5 -17.3 70.4 36 31 A Q H ><5S+ 0 0 143 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.961 115.0 47.3 -61.2 -55.2 5.8 -19.2 70.0 37 32 A A H 3<5S+ 0 0 76 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 123.3 32.2 -56.9 -43.7 7.6 -16.3 68.2 38 33 A F H 3<5S- 0 0 67 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.350 104.1-124.4-100.3 3.9 6.5 -13.6 70.7 39 34 A R T <<5 + 0 0 207 -3,-0.7 2,-0.8 -4,-0.6 -3,-0.2 0.884 54.1 154.4 54.6 45.2 6.5 -15.8 73.8 40 35 A V < - 0 0 9 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.892 25.5-163.9-104.4 101.7 2.8 -15.0 74.6 41 36 A S > - 0 0 81 -2,-0.8 3,-2.0 -3,-0.1 -5,-0.0 -0.665 26.7 -68.9 -87.9 142.6 1.5 -18.0 76.6 42 37 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.270 114.8 40.5 -54.7 146.0 -2.1 -18.8 77.3 43 38 A P T 3 S+ 0 0 132 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.967 101.8 90.3 -84.5 7.9 -4.3 -17.4 79.0 44 39 A L < + 0 0 99 -3,-2.0 -4,-0.0 1,-0.1 3,-0.0 -0.434 38.5 172.9 -68.2 137.3 -2.8 -14.1 77.7 45 40 A T + 0 0 55 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.124 61.4 77.5-122.4 15.3 -4.2 -12.6 74.5 46 41 A T + 0 0 80 9,-0.0 -2,-0.0 5,-0.0 0, 0.0 -0.876 47.7 112.3-121.5 157.6 -2.2 -9.3 74.7 47 42 A G S S- 0 0 33 -2,-0.3 5,-0.1 -7,-0.1 -8,-0.1 -0.913 71.1 -6.5 172.5-153.1 1.5 -8.6 74.0 48 43 A P S >> S- 0 0 57 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.300 73.5-107.6 -61.2 150.9 3.3 -6.5 71.4 49 44 A P H 3> S+ 0 0 94 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.863 119.6 60.0 -47.4 -40.3 1.1 -5.0 68.6 50 45 A E H 3> S+ 0 0 97 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.842 108.9 41.6 -62.2 -34.0 2.5 -7.5 66.1 51 46 A F H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 3,-0.4 0.934 113.8 52.9 -73.7 -45.4 1.3 -10.4 68.2 52 47 A E H X S+ 0 0 71 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.868 105.1 55.3 -59.7 -39.6 -2.1 -8.7 68.9 53 48 A R H X S+ 0 0 50 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.889 109.4 46.1 -60.1 -40.2 -2.7 -8.1 65.1 54 49 A V H X S+ 0 0 16 -4,-1.0 4,-1.7 -3,-0.4 -2,-0.2 0.930 115.9 46.5 -67.7 -46.1 -2.3 -11.9 64.3 55 50 A Y H X S+ 0 0 50 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.943 115.5 45.6 -56.5 -51.9 -4.5 -12.8 67.3 56 51 A R H X S+ 0 0 88 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.848 108.2 55.8 -67.1 -36.7 -7.2 -10.2 66.3 57 52 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.901 112.1 43.8 -61.8 -41.3 -7.1 -11.1 62.6 58 53 A Q H X S+ 0 0 32 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.917 113.8 49.8 -66.8 -47.0 -7.9 -14.7 63.4 59 54 A V H X S+ 0 0 25 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.892 111.0 50.1 -62.5 -41.4 -10.6 -13.8 66.0 60 55 A N H X S+ 0 0 25 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.937 111.5 47.3 -61.0 -49.3 -12.2 -11.4 63.5 61 56 A C H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.907 112.2 52.0 -56.1 -45.6 -12.3 -14.1 60.8 62 57 A S H < S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 106.2 53.2 -59.5 -41.7 -13.7 -16.6 63.4 63 58 A E H < S+ 0 0 107 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.838 115.5 40.1 -62.6 -40.3 -16.6 -14.1 64.4 64 59 A Y H >X S+ 0 0 83 -4,-1.6 4,-2.6 1,-0.2 3,-0.5 0.648 93.1 86.9 -83.0 -17.5 -17.7 -13.7 60.8 65 60 A F H 3X S+ 0 0 29 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.881 89.1 47.9 -54.0 -45.3 -17.3 -17.4 59.8 66 61 A P H 3> S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.832 110.9 53.0 -66.4 -26.4 -20.8 -18.5 61.0 67 62 A L H <> S+ 0 0 92 -3,-0.5 4,-2.1 -4,-0.3 5,-0.3 0.937 110.1 48.2 -69.6 -46.3 -22.3 -15.5 59.2 68 63 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.948 113.6 46.0 -53.1 -52.0 -20.5 -16.6 56.1 69 64 A L H X S+ 0 0 46 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.926 112.5 50.7 -61.0 -47.4 -21.7 -20.3 56.5 70 65 A A H X S+ 0 0 56 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.905 115.9 39.4 -56.2 -47.7 -25.3 -19.3 57.2 71 66 A T H X S+ 0 0 24 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.849 110.9 58.7 -80.0 -33.5 -25.7 -17.0 54.2 72 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.938 112.4 40.7 -54.1 -51.3 -23.7 -19.3 51.8 73 68 A W H X S+ 0 0 77 -4,-2.1 4,-1.9 -5,-0.2 5,-0.2 0.913 116.7 47.3 -67.3 -44.8 -26.2 -22.2 52.5 74 69 A V H X S+ 0 0 53 -4,-2.1 4,-2.4 -5,-0.2 5,-0.4 0.943 117.1 42.9 -63.5 -46.9 -29.4 -20.0 52.4 75 70 A A H X>S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-1.5 0.910 114.0 52.7 -64.7 -39.5 -28.3 -18.2 49.2 76 71 A G H <5S+ 0 0 7 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.845 117.2 36.7 -65.6 -34.4 -27.1 -21.5 47.7 77 72 A I H <5S+ 0 0 98 -4,-1.9 -2,-0.2 3,-0.1 -1,-0.2 0.839 127.3 32.5 -82.7 -37.8 -30.5 -23.3 48.4 78 73 A F H <5S+ 0 0 88 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.711 131.6 22.3-100.7 -21.6 -32.9 -20.5 47.7 79 74 A F T <5S- 0 0 99 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.794 122.4 -42.9-109.3 -69.4 -31.2 -18.5 45.0 80 75 A H >< - 0 0 111 -5,-1.5 4,-1.9 1,-0.1 5,-0.2 -0.859 37.5-141.3-170.0 127.3 -28.6 -20.4 42.9 81 76 A E H > S+ 0 0 38 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.910 100.8 46.4 -63.3 -48.0 -25.9 -22.9 44.1 82 77 A G H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 113.0 49.4 -65.1 -43.7 -23.1 -21.8 41.7 83 78 A A H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 112.7 47.3 -61.5 -42.6 -23.6 -18.1 42.3 84 79 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 112.3 49.7 -64.5 -44.8 -23.5 -18.6 46.1 85 80 A A H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 111.5 49.9 -61.4 -42.7 -20.4 -20.8 45.9 86 81 A L H X S+ 0 0 113 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.919 110.8 46.7 -62.8 -50.1 -18.7 -18.2 43.7 87 82 A C H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.874 112.0 55.6 -56.7 -35.7 -19.5 -15.3 46.1 88 83 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.892 106.5 47.4 -63.8 -43.6 -18.2 -17.7 48.8 89 84 A L H X S+ 0 0 77 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.894 111.8 50.8 -60.9 -45.3 -14.8 -18.3 47.2 90 85 A V H X S+ 0 0 78 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 110.3 50.3 -59.6 -46.4 -14.4 -14.5 46.6 91 86 A Y H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 112.1 47.0 -54.7 -47.8 -15.3 -14.0 50.4 92 87 A L H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.861 111.1 50.1 -68.6 -36.7 -12.7 -16.6 51.5 93 88 A F H X S+ 0 0 120 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.918 110.7 50.7 -67.5 -41.6 -10.0 -15.2 49.3 94 89 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.867 108.9 52.5 -57.9 -40.7 -10.7 -11.7 50.6 95 90 A R H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.884 105.6 52.8 -63.1 -45.0 -10.4 -13.2 54.2 96 91 A L H X S+ 0 0 43 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.924 112.4 46.4 -49.4 -49.8 -7.0 -14.7 53.5 97 92 A R H X S+ 0 0 89 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.863 110.7 53.0 -64.8 -37.5 -5.9 -11.2 52.3 98 93 A Y H X S+ 0 0 4 -4,-2.1 4,-2.9 14,-0.2 5,-0.3 0.939 111.4 45.7 -62.4 -46.8 -7.4 -9.6 55.3 99 94 A F H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.944 115.9 45.0 -63.7 -49.6 -5.5 -11.9 57.7 100 95 A Q H X S+ 0 0 94 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.883 117.7 44.8 -60.1 -41.3 -2.2 -11.5 55.8 101 96 A G H >X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 3,-0.5 0.957 112.3 49.0 -68.5 -54.6 -2.7 -7.7 55.6 102 97 A Y H 3< S+ 0 0 36 -4,-2.9 -2,-0.2 6,-0.3 -1,-0.2 0.888 106.9 57.9 -53.4 -42.7 -3.8 -7.1 59.2 103 98 A A H 3< S+ 0 0 19 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.891 113.1 40.2 -57.9 -38.9 -0.8 -9.2 60.4 104 99 A R H << S- 0 0 182 -4,-1.2 2,-0.3 -3,-0.5 -2,-0.2 0.864 137.4 -14.0 -74.9 -36.6 1.6 -6.8 58.6 105 100 A S X - 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