==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ATPASE INHIBITOR 14-SEP-01 1GMJ . COMPND 2 MOLECULE: ATPASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.CABEZON,M.J.RUNSWICK,A.G.W.LESLIE,J.E.WALKER . 240 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 95.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 92.1 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+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 0 0 0 0 0 0 4 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 19 A G > 0 0 102 0, 0.0 4,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.8 24.6 39.9 143.4 2 20 A G H > + 0 0 67 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.825 360.0 51.2 -86.7 -35.3 26.9 37.0 142.7 3 21 A A H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.642 106.7 59.5 -74.3 -14.1 24.2 34.6 141.4 4 22 A F H > S+ 0 0 103 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.918 100.4 52.7 -75.9 -47.9 23.3 37.6 139.2 5 23 A G H X S+ 0 0 32 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.904 114.9 43.2 -53.1 -44.5 26.8 37.6 137.6 6 24 A K H >X S+ 0 0 164 -4,-1.6 4,-1.7 2,-0.2 3,-1.3 0.997 113.3 48.1 -64.7 -65.9 26.3 33.9 136.8 7 25 A R H 3X S+ 0 0 125 -4,-2.2 4,-2.0 1,-0.3 -2,-0.2 0.802 107.3 57.9 -45.0 -37.6 22.7 34.0 135.6 8 26 A E H 3X S+ 0 0 81 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.918 108.5 46.9 -63.2 -39.3 23.5 37.0 133.3 9 27 A Q H X S+ 0 0 156 -4,-2.3 4,-2.4 2,-0.2 3,-1.1 0.996 112.2 48.4 -60.1 -63.6 5.9 9.8 65.7 59 77 A L H 3X S+ 0 0 13 -4,-2.7 4,-1.6 1,-0.3 -2,-0.2 0.836 110.7 52.9 -47.7 -39.7 8.3 10.6 62.8 60 78 A K H 3X S+ 0 0 120 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.3 0.868 111.0 45.8 -68.3 -34.6 9.7 7.1 62.9 61 79 A Q H > 0 0 99 0, 0.0 3,-1.6 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0-164.9 5.9 -6.6 18.9 68 21 B A H 3> + 0 0 96 1,-0.3 4,-1.1 2,-0.2 3,-0.4 0.879 360.0 53.0 -61.3 -37.0 9.1 -7.7 20.8 69 22 B F H 3> S+ 0 0 47 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.457 102.7 61.8 -76.0 -2.8 10.0 -4.1 20.8 70 23 B G H <> S+ 0 0 36 -3,-1.6 4,-1.5 2,-0.1 -1,-0.2 0.773 105.4 41.6 -93.7 -31.3 6.6 -3.4 22.4 71 24 B K H X S+ 0 0 159 -4,-1.1 4,-2.1 -3,-0.4 -2,-0.2 0.688 109.5 58.2 -88.8 -18.9 7.1 -5.4 25.5 72 25 B R H X S+ 0 0 135 -4,-1.1 4,-2.7 2,-0.2 5,-0.2 0.916 107.7 49.2 -71.0 -43.3 10.7 -4.2 26.0 73 26 B E H X S+ 0 0 31 -4,-0.6 4,-3.4 2,-0.2 5,-0.3 0.961 111.6 48.4 -54.6 -56.6 9.2 -0.7 26.1 74 27 B Q H X S+ 0 0 115 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.888 112.5 48.4 -52.0 -46.9 6.6 -1.8 28.6 75 28 B A H X S+ 0 0 26 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.905 116.0 43.1 -61.4 -45.7 9.2 -3.5 30.8 76 29 B E H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.823 111.9 52.6 -71.9 -35.6 11.5 -0.4 30.7 77 30 B E H X S+ 0 0 71 -4,-3.4 4,-2.4 -5,-0.2 -1,-0.2 0.886 110.1 51.1 -66.2 -37.2 8.7 2.0 31.2 78 31 B E H X S+ 0 0 89 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.960 110.3 46.9 -64.4 -50.4 7.7 -0.0 34.2 79 32 B R H X S+ 0 0 138 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.911 110.7 54.9 -57.4 -42.8 11.3 0.0 35.6 80 33 B Y H X S+ 0 0 33 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.962 110.8 42.5 -55.1 -56.1 11.4 3.7 35.0 81 34 B F H X S+ 0 0 124 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.826 112.4 53.4 -63.4 -33.6 8.3 4.5 37.0 82 35 B R H X S+ 0 0 159 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.971 108.5 50.0 -65.6 -49.2 9.2 2.2 39.8 83 36 B A H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.893 111.2 50.3 -55.3 -37.7 12.6 3.9 40.1 84 37 B R H X S+ 0 0 59 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.881 109.1 51.6 -68.0 -34.1 10.7 7.3 40.2 85 38 B A H X S+ 0 0 46 -4,-2.1 4,-2.3 -3,-0.2 -2,-0.2 0.931 112.2 45.2 -67.6 -42.7 8.4 6.0 42.8 86 39 B K H X S+ 0 0 108 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.837 107.0 57.7 -70.4 -33.5 11.3 4.9 45.0 87 40 B E H X S+ 0 0 20 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.962 111.1 45.4 -61.1 -43.5 13.3 8.1 44.5 88 41 B Q H X S+ 0 0 124 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.908 110.6 50.3 -65.2 -45.1 10.2 9.9 45.9 89 42 B L H X S+ 0 0 102 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.929 111.8 50.7 -60.6 -40.1 9.7 7.6 48.9 90 43 B A H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.885 107.1 52.2 -66.4 -36.3 13.4 8.0 49.7 91 44 B A H X S+ 0 0 27 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.919 110.3 49.0 -67.3 -38.4 13.2 11.8 49.6 92 45 B L H X S+ 0 0 119 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.943 112.3 47.6 -64.8 -43.7 10.3 11.7 52.0 93 46 B K H X S+ 0 0 64 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.898 107.6 57.6 -61.1 -40.4 12.2 9.4 54.3 94 47 B K H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.922 106.3 49.0 -56.1 -45.2 15.2 11.6 54.0 95 48 B H H X S+ 0 0 105 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.918 110.3 49.3 -62.5 -44.0 13.2 14.5 55.3 96 49 B K H X S+ 0 0 62 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.893 110.4 52.3 -63.0 -37.4 11.8 12.5 58.3 97 50 B E H X S+ 0 0 19 -4,-2.6 4,-2.8 2,-0.2 35,-0.3 0.889 106.9 52.2 -65.7 -36.3 15.3 11.4 59.1 98 51 B N H X S+ 0 0 70 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.960 111.9 46.7 -63.3 -46.8 16.5 15.0 59.1 99 52 B E H X S+ 0 0 66 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 111.8 49.0 -61.5 -45.9 13.7 15.9 61.5 100 53 B I H X S+ 0 0 9 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.936 109.8 55.6 -57.1 -43.9 14.4 12.9 63.8 101 54 B S H X S+ 0 0 38 -4,-2.8 4,-2.2 27,-0.3 -2,-0.2 0.899 106.9 48.0 -54.5 -46.5 18.0 14.1 63.6 102 55 B H H X S+ 0 0 103 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.976 110.7 50.1 -61.5 -54.8 17.2 17.6 64.8 103 56 B H H X S+ 0 0 39 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.876 110.3 51.3 -51.4 -39.8 15.0 16.3 67.7 104 57 B A H X S+ 0 0 44 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.918 107.4 52.6 -64.3 -44.4 17.9 14.0 68.8 105 58 B K H X S+ 0 0 146 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.945 109.8 48.9 -56.5 -50.1 20.3 16.9 68.7 106 59 B E H X S+ 0 0 46 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.914 107.6 55.2 -56.3 -45.6 18.0 18.9 71.0 107 60 B I H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.935 108.0 48.2 -55.0 -47.7 17.6 16.0 73.4 108 61 B E H X S+ 0 0 112 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.864 111.8 50.7 -61.5 -38.0 21.4 15.7 73.8 109 62 B R H X S+ 0 0 139 -4,-2.0 4,-1.7 2,-0.2 3,-0.3 0.951 110.9 47.5 -64.5 -50.1 21.6 19.5 74.4 110 63 B L H X S+ 0 0 6 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.846 108.8 55.0 -61.9 -34.3 18.9 19.4 77.1 111 64 B Q H X S+ 0 0 99 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.855 104.5 54.3 -70.7 -28.4 20.6 16.4 78.7 112 65 B K H X S+ 0 0 133 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.898 107.7 49.6 -69.8 -36.9 23.8 18.4 79.0 113 66 B E H X S+ 0 0 79 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.938 109.7 51.4 -63.7 -46.0 21.9 21.2 80.8 114 67 B I H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.912 107.5 53.9 -55.7 -42.6 20.4 18.7 83.1 115 68 B E H X S+ 0 0 112 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.924 107.0 50.7 -59.0 -45.2 23.9 17.4 83.8 116 69 B R H X S+ 0 0 165 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.957 112.0 46.7 -58.4 -49.9 25.0 20.9 84.7 117 70 B H H X S+ 0 0 36 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 109.9 54.1 -59.8 -40.0 22.1 21.3 87.1 118 71 B K H X S+ 0 0 110 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.859 110.0 46.9 -62.8 -34.5 22.8 17.9 88.6 119 72 B Q H X S+ 0 0 93 -4,-2.1 4,-2.3 -3,-0.3 -1,-0.2 0.873 108.8 54.9 -75.9 -35.0 26.4 18.9 89.3 120 73 B S H X S+ 0 0 45 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.943 109.3 48.1 -59.2 -47.2 25.3 22.2 90.8 121 74 B I H X S+ 0 0 26 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.950 108.5 53.8 -56.9 -51.8 23.1 20.3 93.2 122 75 B K H X S+ 0 0 138 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.906 109.5 48.3 -50.3 -48.2 25.9 17.9 94.1 123 76 B K H >< S+ 0 0 160 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.971 113.6 46.8 -56.7 -55.6 28.2 20.9 94.9 124 77 B L H 3< S+ 0 0 42 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.888 105.3 59.9 -53.9 -43.3 25.5 22.5 97.1 125 78 B K H 3< 0 0 142 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.733 360.0 360.0 -60.4 -22.1 24.7 19.2 98.8 126 79 B Q << 0 0 185 -3,-1.4 -2,-0.2 -4,-0.9 -3,-0.1 0.901 360.0 360.0 -95.0 360.0 28.3 19.2 100.1 127 !* 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 0.0 128 20 C G > 0 0 38 0, 0.0 4,-1.5 0, 0.0 -27,-0.3 0.000 360.0 360.0 360.0 -48.5 18.8 10.1 62.3 129 21 C A H > + 0 0 78 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.967 360.0 35.2 -76.7 -60.8 22.4 10.9 61.2 130 22 C F H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.866 120.7 52.3 -60.3 -39.9 23.1 7.5 59.5 131 23 C G H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 104.9 52.1 -64.9 -49.0 19.6 7.3 58.3 132 24 C K H X S+ 0 0 82 -4,-1.5 4,-2.0 -35,-0.3 -1,-0.2 0.924 113.1 45.2 -55.8 -45.7 19.4 10.8 56.7 133 25 C R H X S+ 0 0 139 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.929 111.8 51.3 -63.4 -47.0 22.6 10.1 54.7 134 26 C E H X S+ 0 0 78 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.889 111.8 47.6 -56.4 -43.4 21.5 6.7 53.6 135 27 C Q H X S+ 0 0 20 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.873 109.1 53.2 -69.2 -36.2 18.2 8.0 52.4 136 28 C A H X S+ 0 0 10 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.911 112.4 45.8 -63.7 -39.1 19.9 10.8 50.6 137 29 C E H X S+ 0 0 103 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.818 110.4 52.0 -73.2 -31.7 22.0 8.2 48.9 138 30 C E H X S+ 0 0 72 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.933 109.2 52.4 -67.0 -46.1 19.0 6.0 48.1 139 31 C E H X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.932 111.5 44.8 -55.6 -46.7 17.3 9.0 46.6 140 32 C R H X S+ 0 0 146 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.901 112.3 53.5 -65.3 -40.0 20.4 9.7 44.3 141 33 C Y H X S+ 0 0 106 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.963 112.4 41.7 -59.2 -55.7 20.6 6.0 43.4 142 34 C F H X S+ 0 0 38 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.879 113.3 53.9 -62.3 -37.5 16.9 5.7 42.3 143 35 C R H X S+ 0 0 80 -4,-2.4 4,-2.1 -5,-0.3 3,-0.2 0.974 110.4 47.2 -60.7 -51.9 17.1 9.0 40.5 144 36 C A H X S+ 0 0 60 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.918 111.3 51.0 -54.1 -47.4 20.2 7.8 38.6 145 37 C R H X S+ 0 0 113 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.846 109.0 52.4 -59.5 -37.3 18.5 4.5 37.7 146 38 C A H X S+ 0 0 0 -4,-2.3 4,-2.3 -3,-0.2 -1,-0.2 0.911 110.0 46.4 -67.7 -41.2 15.5 6.3 36.4 147 39 C K H X S+ 0 0 125 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.836 113.9 49.7 -71.1 -27.3 17.5 8.5 34.1 148 40 C E H X S+ 0 0 104 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.953 110.9 48.5 -69.4 -51.6 19.4 5.5 32.9 149 41 C Q H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.891 111.6 51.3 -53.3 -42.7 16.2 3.6 32.3 150 42 C L H X S+ 0 0 51 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.878 108.0 51.1 -66.9 -37.8 14.9 6.6 30.4 151 43 C A H X S+ 0 0 59 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.813 106.8 53.9 -71.2 -30.0 18.1 6.8 28.2 152 44 C A H X S+ 0 0 21 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.940 108.5 51.8 -66.8 -43.5 17.7 3.2 27.3 153 45 C L H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.928 112.7 42.5 -58.2 -49.6 14.2 4.0 26.2 154 46 C K H X S+ 0 0 137 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.933 112.3 54.0 -63.7 -45.0 15.2 6.9 24.0 155 47 C K H X S+ 0 0 116 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.929 109.7 49.8 -52.4 -46.0 18.1 4.9 22.6 156 48 C H H X S+ 0 0 14 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.850 107.9 51.0 -65.3 -34.6 15.7 2.2 21.7 157 49 C K H X S+ 0 0 67 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.862 110.0 52.2 -70.6 -29.8 13.3 4.6 20.0 158 50 C E H X S+ 0 0 122 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.908 108.0 50.5 -68.5 -42.0 16.4 5.8 18.1 159 51 C N H X S+ 0 0 88 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.931 112.0 48.0 -59.5 -47.8 17.2 2.2 17.0 160 52 C E H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.933 110.6 50.3 -60.6 -46.8 13.7 1.7 15.9 161 53 C I H X S+ 0 0 27 -4,-2.4 4,-1.7 1,-0.2 3,-0.2 0.970 113.8 45.3 -54.9 -54.5 13.6 4.9 13.9 162 54 C S H X S+ 0 0 75 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.901 109.1 58.1 -54.4 -42.4 16.9 4.0 12.3 163 55 C H H X S+ 0 0 86 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.909 106.2 47.1 -56.2 -46.0 15.5 0.5 11.7 164 56 C H H X S+ 0 0 25 -4,-2.4 4,-2.3 -3,-0.2 -1,-0.2 0.837 108.9 56.0 -66.7 -30.8 12.6 1.7 9.7 165 57 C A H X S+ 0 0 52 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.905 105.5 50.3 -67.0 -40.9 14.9 4.0 7.7 166 58 C K H X S+ 0 0 148 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.845 111.0 52.3 -63.2 -32.6 17.0 1.0 6.7 167 59 C E H X S+ 0 0 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