==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 13-SEP-11 3TSI . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAINFLUENZA VIRUS 5; . AUTHOR S.BOSE,B.D.WELCH,C.A.KORS,P.YUAN,T.S.JARDETZKY,R.A.LAMB . 199 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 86.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 1 1 0 1 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 53 A S > 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 134.2 45.9 49.3 27.3 2 54 A P T 4 - 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.034 360.0 -40.0 -67.2 130.1 43.9 52.0 25.6 3 55 A S T > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 3,-0.2 -0.932 130.9 62.7-101.8 3.7 42.4 51.0 23.3 4 56 A S H > S+ 0 0 92 2,-0.2 4,-4.8 1,-0.2 5,-0.4 0.784 93.8 62.5 -62.5 -35.9 44.6 48.4 21.5 5 57 A G H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.968 112.3 38.9 -54.0 -54.8 45.0 45.8 24.2 6 58 A L H > S+ 0 0 82 -3,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.912 120.1 49.7 -55.6 -46.4 41.2 45.2 24.2 7 59 A G H X S+ 0 0 29 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.873 112.0 44.6 -62.4 -43.4 41.3 45.6 20.4 8 60 A S H X S+ 0 0 53 -4,-4.8 4,-1.7 2,-0.2 -2,-0.2 0.893 117.8 44.0 -72.5 -40.9 44.2 43.2 19.7 9 61 A I H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.4 5,-0.2 0.931 113.0 53.1 -65.7 -45.3 42.8 40.5 22.1 10 62 A T H X S+ 0 0 19 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.867 108.2 51.4 -58.1 -35.8 39.4 41.1 20.6 11 63 A D H X S+ 0 0 100 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.887 109.8 46.9 -72.8 -39.6 40.7 40.6 17.1 12 64 A L H X S+ 0 0 23 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.925 112.1 50.9 -66.0 -43.8 42.4 37.2 17.9 13 65 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.930 109.2 52.1 -60.5 -41.8 39.3 36.0 19.6 14 66 A N H X S+ 0 0 73 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.910 109.8 48.4 -59.5 -43.3 37.3 37.0 16.6 15 67 A N H X S+ 0 0 83 -4,-2.2 4,-2.3 2,-0.2 3,-0.2 0.946 112.0 49.6 -56.8 -49.7 39.7 35.0 14.3 16 68 A I H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.879 109.1 51.7 -61.6 -40.8 39.5 32.0 16.6 17 69 A L H X S+ 0 0 21 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.835 109.6 49.4 -66.4 -34.6 35.7 32.1 16.6 18 70 A S H X S+ 0 0 71 -4,-1.6 4,-2.0 -3,-0.2 -2,-0.2 0.904 112.8 46.9 -73.3 -39.7 35.4 32.3 12.8 19 71 A V H X S+ 0 0 23 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.956 112.7 48.4 -62.2 -50.9 37.8 29.3 12.4 20 72 A A H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.915 109.3 54.7 -56.9 -42.5 36.0 27.2 15.1 21 73 A N H X S+ 0 0 79 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.907 109.7 46.5 -55.9 -42.2 32.8 28.2 13.3 22 74 A Q H X S+ 0 0 93 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.879 110.5 53.6 -66.1 -37.0 34.3 26.8 10.1 23 75 A I H X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.854 107.2 50.2 -66.5 -34.3 35.4 23.6 12.0 24 76 A I H X S+ 0 0 34 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.822 109.7 52.2 -75.2 -30.2 31.9 23.0 13.2 25 77 A Y H X>S+ 0 0 125 -4,-1.5 4,-2.1 -5,-0.2 5,-1.9 0.941 110.6 47.8 -63.4 -49.7 30.7 23.4 9.6 26 78 A N H <>S+ 0 0 11 -4,-2.5 5,-2.7 3,-0.2 -2,-0.2 0.885 119.0 39.3 -56.7 -43.2 33.2 20.8 8.4 27 79 A S H <5S+ 0 0 7 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.807 124.5 34.4 -83.3 -33.9 32.4 18.3 11.2 28 80 A A H <5S+ 0 0 45 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.660 135.3 13.7 -97.1 -14.5 28.6 18.7 11.4 29 81 A V T X5S+ 0 0 70 -4,-2.1 4,-2.1 -5,-0.3 -3,-0.2 0.709 123.7 43.6-122.4 -62.4 27.7 19.4 7.7 30 82 A A H > S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.918 111.7 48.8 -56.1 -38.7 28.4 13.8 7.4 33 85 A L H X S+ 0 0 107 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.915 110.1 51.2 -64.7 -41.5 27.4 14.7 3.8 34 86 A Q H X S+ 0 0 45 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.865 110.1 49.1 -63.3 -37.3 30.6 13.0 2.5 35 87 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.864 108.9 52.4 -70.6 -37.0 29.9 9.8 4.5 36 88 A D H X S+ 0 0 83 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.915 111.5 46.8 -63.0 -40.6 26.2 9.7 3.3 37 89 A T H X S+ 0 0 72 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.881 113.0 49.8 -69.5 -37.1 27.4 9.9 -0.3 38 90 A L H X S+ 0 0 6 -4,-1.7 4,-2.5 -5,-0.2 5,-0.3 0.907 107.4 54.2 -67.3 -43.6 30.1 7.3 0.3 39 91 A E H X S+ 0 0 45 -4,-2.7 4,-3.6 1,-0.2 5,-0.2 0.954 112.1 43.3 -53.0 -53.3 27.6 4.9 1.9 40 92 A S H X S+ 0 0 63 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.807 111.7 53.5 -70.3 -32.4 25.2 5.0 -1.1 41 93 A T H X S+ 0 0 47 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.965 117.8 36.8 -61.8 -53.3 28.0 4.7 -3.6 42 94 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.903 115.1 55.1 -66.1 -43.1 29.4 1.6 -1.9 43 95 A L H X S+ 0 0 36 -4,-3.6 4,-1.9 -5,-0.3 -1,-0.2 0.857 110.3 47.6 -59.4 -34.2 25.9 0.4 -1.1 44 96 A T H X S+ 0 0 96 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.883 109.7 51.5 -73.0 -39.7 25.1 0.7 -4.9 45 97 A A H < S+ 0 0 22 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.886 112.1 47.5 -64.6 -37.3 28.3 -1.1 -5.9 46 98 A I H >X S+ 0 0 7 -4,-2.5 3,-1.6 1,-0.2 4,-0.5 0.916 110.7 49.0 -72.1 -44.0 27.4 -4.0 -3.6 47 99 A K H 3< S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.683 99.1 71.6 -65.9 -15.0 23.8 -4.3 -4.7 48 100 A S T 3< S+ 0 0 73 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.520 91.4 64.8 -79.6 -2.7 25.2 -4.3 -8.2 49 101 A L T <4 0 0 37 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.1 0.982 360.0 360.0 -83.1 -73.4 26.5 -7.8 -7.6 50 102 A Q < 0 0 176 -4,-0.5 -1,-0.1 0, 0.0 -2,-0.1 0.461 360.0 360.0 -6.8 360.0 23.9 -10.5 -7.0 51 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 52 56 B S 0 0 118 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.3 52.4 37.5 32.6 53 57 B G > - 0 0 50 4,-0.0 4,-1.3 0, 0.0 3,-0.4 0.121 360.0 -44.4 -98.1-145.9 50.5 40.5 31.3 54 58 B L H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.820 130.8 64.6 -58.6 -33.5 48.7 41.1 28.0 55 59 B G H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 100.8 45.4 -58.4 -48.7 51.6 39.5 26.1 56 60 B S H > S+ 0 0 34 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.874 110.6 54.3 -68.4 -37.2 51.3 36.0 27.5 57 61 B I H X S+ 0 0 16 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.861 107.0 53.2 -58.6 -35.3 47.6 36.0 27.0 58 62 B T H X S+ 0 0 36 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.811 106.3 52.2 -71.5 -29.9 48.4 36.9 23.4 59 63 B D H X S+ 0 0 107 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.957 108.2 50.4 -66.8 -48.6 50.7 33.9 23.2 60 64 B L H X S+ 0 0 27 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.931 109.8 51.3 -51.9 -49.2 47.9 31.7 24.5 61 65 B L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.910 110.3 48.2 -55.6 -46.4 45.6 33.1 21.8 62 66 B N H X S+ 0 0 74 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.870 110.6 51.7 -63.2 -36.8 48.2 32.4 19.1 63 67 B N H X S+ 0 0 78 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.950 112.2 46.1 -65.7 -45.1 48.6 28.9 20.4 64 68 B I H X S+ 0 0 6 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.928 112.8 49.6 -61.6 -45.3 44.9 28.4 20.2 65 69 B L H X S+ 0 0 28 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.944 111.0 49.9 -61.6 -45.7 44.6 29.9 16.8 66 70 B S H X S+ 0 0 55 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.940 112.5 46.3 -57.4 -47.8 47.4 27.7 15.4 67 71 B V H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.919 109.7 54.7 -61.8 -42.9 45.9 24.5 16.9 68 72 B A H X S+ 0 0 9 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.924 106.3 52.9 -56.9 -43.7 42.5 25.5 15.5 69 73 B N H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.914 105.1 53.4 -55.9 -45.5 44.1 25.8 12.0 70 74 B Q H X S+ 0 0 101 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.887 106.4 54.4 -57.4 -36.6 45.6 22.3 12.3 71 75 B I H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.809 103.7 54.6 -69.9 -28.2 42.0 21.2 13.0 72 76 B I H X S+ 0 0 41 -4,-1.4 4,-2.7 -3,-0.5 5,-0.4 0.930 108.5 49.4 -65.6 -46.0 40.9 22.8 9.8 73 77 B Y H X>S+ 0 0 135 -4,-2.1 5,-2.2 1,-0.2 4,-2.0 0.939 112.7 46.9 -56.4 -50.3 43.5 20.8 7.9 74 78 B N H <>S+ 0 0 21 -4,-2.4 5,-2.7 3,-0.2 -1,-0.2 0.879 120.4 36.5 -58.6 -44.7 42.4 17.5 9.5 75 79 B S H <5S+ 0 0 8 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.762 126.7 33.7 -85.9 -33.2 38.7 18.0 8.9 76 80 B A H <5S+ 0 0 48 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.600 135.7 14.6 -96.5 -14.7 38.8 19.8 5.5 77 81 B V T X5S+ 0 0 56 -4,-2.0 4,-2.2 -5,-0.4 -3,-0.2 0.717 124.3 40.6-122.5 -61.6 41.8 18.0 3.9 78 82 B A H > S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.933 115.0 46.5 -55.5 -43.2 38.1 14.0 3.2 81 85 B L H X S+ 0 0 100 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.884 111.0 51.7 -66.8 -38.4 41.1 12.6 1.4 82 86 B Q H X S+ 0 0 37 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.919 109.2 51.0 -62.9 -41.6 41.3 9.6 3.7 83 87 B L H X S+ 0 0 5 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.902 108.8 51.2 -63.3 -39.0 37.6 8.9 2.9 84 88 B D H X S+ 0 0 75 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.943 110.4 48.6 -62.6 -46.6 38.3 9.2 -0.8 85 89 B T H X S+ 0 0 87 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.903 113.4 47.5 -58.6 -42.9 41.2 6.7 -0.6 86 90 B L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.927 109.5 52.8 -65.4 -44.3 39.0 4.3 1.4 87 91 B E H X S+ 0 0 50 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.906 111.0 48.5 -56.4 -43.3 36.1 4.7 -1.1 88 92 B S H X S+ 0 0 67 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 108.6 51.6 -67.3 -43.6 38.5 3.8 -3.9 89 93 B T H X S+ 0 0 45 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.874 114.3 43.5 -61.0 -40.1 40.0 0.7 -2.2 90 94 B L H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.838 110.4 55.8 -75.6 -33.5 36.6 -0.8 -1.5 91 95 B L H X S+ 0 0 56 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.932 109.3 46.6 -65.0 -46.9 35.3 0.1 -5.0 92 96 B T H X S+ 0 0 97 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.945 113.4 49.1 -57.1 -49.8 38.2 -1.9 -6.5 93 97 B A H < S+ 0 0 18 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.889 111.5 47.6 -61.6 -42.0 37.6 -4.9 -4.2 94 98 B I H >X S+ 0 0 5 -4,-2.7 4,-1.0 1,-0.2 3,-1.0 0.879 111.3 53.1 -63.7 -36.8 33.9 -5.0 -4.9 95 99 B K H 3X S+ 0 0 103 -4,-2.0 4,-1.7 1,-0.3 -2,-0.2 0.805 98.4 62.7 -69.1 -30.9 34.7 -4.8 -8.6 96 100 B S H 3< S+ 0 0 62 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.611 100.2 55.6 -71.6 -12.1 37.1 -7.7 -8.3 97 101 B L H <4 S+ 0 0 37 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.841 105.6 53.5 -78.8 -39.5 34.0 -9.8 -7.3 98 102 B Q H < 0 0 87 -4,-1.0 -2,-0.2 -3,-0.0 -3,-0.1 0.985 360.0 360.0 -57.0 -69.2 32.2 -8.7 -10.5 99 103 B T < 0 0 139 -4,-1.7 -3,-0.0 0, 0.0 0, 0.0 0.469 360.0 360.0 -89.1 360.0 34.8 -9.7 -13.2 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 53 C S 0 0 157 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.4 26.6 45.8 31.4 102 54 C P > - 0 0 94 0, 0.0 3,-2.0 0, 0.0 5,-0.3 -0.262 360.0-121.3 -66.8 145.4 29.3 47.2 33.8 103 55 C S G > S+ 0 0 110 1,-0.3 3,-2.6 2,-0.2 0, 0.0 0.790 107.2 73.8 -57.1 -30.0 32.9 47.4 32.5 104 56 C S G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.813 89.6 61.8 -53.2 -29.2 34.0 45.1 35.3 105 57 C G G < S- 0 0 37 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.568 105.4-131.9 -74.5 -10.9 32.4 42.3 33.3 106 58 C L X - 0 0 88 -3,-2.6 3,-1.1 -4,-0.2 2,-0.2 0.274 26.2-156.3 72.5 -9.7 34.7 42.9 30.4 107 59 C G T 3> S+ 0 0 39 -5,-0.3 4,-1.7 1,-0.3 5,-0.2 -0.174 74.4 32.7 65.3-116.1 32.0 42.9 27.8 108 60 C S H 3> S+ 0 0 65 1,-0.2 4,-1.9 -2,-0.2 3,-0.4 0.943 121.5 49.6 -42.7 -62.2 33.2 42.0 24.3 109 61 C I H <> S+ 0 0 10 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.863 107.8 52.2 -50.6 -46.2 35.9 39.7 25.6 110 62 C T H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 109.5 47.8 -66.1 -38.4 33.7 37.7 27.9 111 63 C D H X S+ 0 0 103 -4,-1.7 4,-2.6 -3,-0.4 -1,-0.2 0.895 110.9 52.2 -69.3 -38.6 31.0 36.9 25.3 112 64 C L H X S+ 0 0 17 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.947 108.6 49.8 -61.1 -49.5 33.7 35.8 22.8 113 65 C L H X S+ 0 0 3 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.885 111.4 49.7 -59.3 -39.8 35.3 33.4 25.3 114 66 C N H X S+ 0 0 80 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.930 111.4 48.1 -64.5 -44.5 31.9 31.9 26.0 115 67 C N H X S+ 0 0 83 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.943 111.8 49.0 -58.7 -49.8 31.0 31.4 22.3 116 68 C I H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.857 113.1 48.3 -58.0 -37.2 34.4 29.8 21.5 117 69 C L H X S+ 0 0 47 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