==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 08-JUN-01 1JCC . COMPND 2 MOLECULE: MAJOR OUTER MEMBRANE LIPOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LIU,J.DAI,M.LU . 153 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 89.5 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 . 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 86.9 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 3 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 1 A S 0 0 82 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 6.7 6.5 53.1 2 2 A S + 0 0 133 1,-0.1 2,-0.8 4,-0.0 0, 0.0 0.574 360.0 93.3 -79.8 -7.0 8.5 8.8 55.5 3 3 A N > - 0 0 70 1,-0.2 4,-1.7 2,-0.0 3,-0.2 -0.778 61.0-165.1 -92.1 107.7 11.7 7.7 53.6 4 4 A A H > S+ 0 0 76 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.854 87.0 56.7 -58.8 -38.9 12.4 10.1 50.8 5 5 A K H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 105.6 50.4 -62.0 -42.5 14.9 7.7 49.1 6 6 A I H > S+ 0 0 15 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 110.6 49.9 -64.3 -38.2 12.3 5.0 48.8 7 7 A D H X S+ 0 0 59 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.911 110.1 50.1 -66.0 -41.8 9.8 7.5 47.3 8 8 A Q H X S+ 0 0 110 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.889 112.3 47.3 -62.8 -40.6 12.3 8.7 44.7 9 9 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.873 109.5 53.2 -69.2 -37.5 13.2 5.1 43.7 10 10 A S H X S+ 0 0 17 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.916 112.4 45.6 -63.0 -42.2 9.5 4.2 43.4 11 11 A S H X S+ 0 0 69 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 112.8 49.0 -65.7 -49.7 9.0 7.2 41.1 12 12 A D H X S+ 0 0 58 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.864 110.8 50.8 -59.8 -38.4 12.1 6.5 39.0 13 13 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.906 111.5 47.0 -67.8 -40.8 11.1 2.8 38.5 14 14 A Q H X S+ 0 0 66 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.888 111.9 51.3 -66.9 -39.2 7.6 3.7 37.4 15 15 A T H X S+ 0 0 77 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.890 108.2 51.5 -65.5 -40.1 8.9 6.3 35.0 16 16 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 110.2 49.3 -63.9 -40.6 11.4 3.8 33.4 17 17 A N H X S+ 0 0 31 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.876 110.7 49.7 -67.0 -37.0 8.6 1.3 32.9 18 18 A A H X S+ 0 0 52 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.892 111.0 49.4 -68.8 -38.2 6.4 3.9 31.3 19 19 A K H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.871 107.5 54.4 -68.5 -36.6 9.2 5.1 28.9 20 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.891 105.6 53.4 -65.2 -37.3 9.9 1.5 27.9 21 21 A D H X S+ 0 0 64 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.927 108.3 50.4 -61.1 -44.4 6.2 1.1 26.9 22 22 A Q H X S+ 0 0 117 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.915 110.7 48.6 -58.5 -46.0 6.6 4.2 24.7 23 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.876 108.4 54.4 -63.3 -38.7 9.7 2.7 23.1 24 24 A S H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.936 108.9 47.8 -60.4 -48.2 8.0 -0.6 22.5 25 25 A N H X S+ 0 0 114 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 113.3 47.6 -62.0 -40.1 5.1 1.0 20.7 26 26 A D H X S+ 0 0 41 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.882 110.3 51.5 -69.2 -37.9 7.4 3.1 18.5 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.900 110.1 49.9 -65.8 -39.1 9.6 0.1 17.6 28 28 A N H X S+ 0 0 109 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.911 110.1 50.2 -64.6 -42.9 6.5 -1.8 16.6 29 29 A A H X S+ 0 0 22 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.893 109.3 52.2 -62.2 -40.0 5.3 1.1 14.4 30 30 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.858 107.6 51.1 -65.0 -37.4 8.7 1.3 12.7 31 31 A R H X S+ 0 0 100 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.906 110.8 48.9 -67.1 -39.6 8.7 -2.4 11.9 32 32 A S H X S+ 0 0 76 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.909 113.4 45.4 -65.7 -45.1 5.3 -2.1 10.3 33 33 A D H X S+ 0 0 38 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.873 111.7 52.7 -67.6 -37.3 6.2 0.9 8.2 34 34 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.882 108.4 50.8 -65.8 -37.3 9.5 -0.7 7.1 35 35 A Q H X S+ 0 0 77 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.908 108.9 51.1 -65.8 -42.2 7.7 -3.8 6.0 36 36 A A H X S+ 0 0 39 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.893 108.8 51.8 -62.8 -37.8 5.3 -1.7 3.9 37 37 A A H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.895 108.5 51.3 -66.1 -37.8 8.3 0.1 2.3 38 38 A K H X S+ 0 0 66 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.922 109.7 49.9 -63.3 -43.8 9.8 -3.3 1.4 39 39 A D H X S+ 0 0 93 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.889 110.4 49.7 -62.8 -39.4 6.6 -4.4 -0.2 40 40 A D H X S+ 0 0 41 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.851 108.9 51.0 -70.1 -34.3 6.3 -1.2 -2.3 41 41 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.865 109.5 52.2 -69.0 -34.0 9.9 -1.4 -3.5 42 42 A A H X S+ 0 0 49 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.871 104.4 56.8 -67.5 -35.6 9.1 -5.0 -4.6 43 43 A R H X S+ 0 0 116 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.902 105.4 51.5 -61.8 -40.7 6.0 -3.7 -6.4 44 44 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.924 110.5 47.0 -62.7 -45.7 8.3 -1.4 -8.5 45 45 A N H X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.823 109.7 53.9 -68.4 -29.6 10.7 -4.2 -9.4 46 46 A Q H X S+ 0 0 60 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.916 106.1 52.8 -69.4 -41.0 7.7 -6.5 -10.4 47 47 A R H < S+ 0 0 84 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 110.5 48.2 -60.3 -39.2 6.4 -3.7 -12.7 48 48 A L H < S+ 0 0 38 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 103.4 59.9 -69.6 -36.1 9.8 -3.6 -14.4 49 49 A D H < 0 0 106 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 360.0 360.0 -59.4 -30.6 9.9 -7.4 -14.7 50 50 A N < 0 0 162 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.1 -0.406 360.0 360.0 -97.9 360.0 6.8 -7.0 -16.8 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 1 B S 0 0 108 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.5 23.9 4.5 52.4 53 2 B S + 0 0 128 1,-0.0 2,-1.1 4,-0.0 3,-0.1 0.579 360.0 101.3 -91.0 -2.7 24.8 1.6 54.7 54 3 B N > - 0 0 85 1,-0.2 4,-1.6 2,-0.1 3,-0.1 -0.704 57.4-166.9 -82.2 103.7 21.6 -0.2 53.6 55 4 B A H > S+ 0 0 72 -2,-1.1 4,-1.9 1,-0.2 5,-0.2 0.905 83.7 53.4 -59.2 -45.8 22.9 -2.6 51.1 56 5 B K H > S+ 0 0 165 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 106.7 52.5 -59.6 -38.7 19.5 -3.6 49.8 57 6 B I H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 107.7 52.7 -65.0 -38.0 18.7 0.1 49.1 58 7 B D H X S+ 0 0 74 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.888 107.4 50.4 -64.1 -40.9 21.9 0.5 47.1 59 8 B Q H X S+ 0 0 113 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.885 110.5 50.9 -64.3 -38.7 21.1 -2.5 44.9 60 9 B L H X S+ 0 0 16 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.895 108.3 51.7 -64.4 -41.5 17.7 -1.0 44.3 61 10 B S H X S+ 0 0 31 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.909 111.0 48.4 -62.4 -40.7 19.2 2.3 43.3 62 11 B S H X S+ 0 0 61 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 111.9 48.0 -66.0 -44.5 21.6 0.6 40.9 63 12 B D H X S+ 0 0 59 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.899 112.5 49.3 -63.6 -41.1 18.7 -1.4 39.3 64 13 B A H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.902 111.5 49.1 -65.1 -42.0 16.6 1.7 38.9 65 14 B Q H X S+ 0 0 73 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.916 112.0 47.7 -64.4 -42.7 19.4 3.7 37.3 66 15 B T H X S+ 0 0 63 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.917 111.2 51.5 -65.8 -41.3 20.2 0.9 34.9 67 16 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 111.6 46.3 -62.2 -45.0 16.5 0.6 34.0 68 17 B N H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 112.0 50.9 -65.0 -40.5 16.1 4.3 33.3 69 18 B A H X S+ 0 0 59 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.900 112.8 45.9 -63.6 -41.9 19.3 4.4 31.2 70 19 B K H X S+ 0 0 52 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.894 110.9 52.3 -68.4 -40.6 18.2 1.5 29.1 71 20 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.895 110.5 48.3 -62.7 -39.6 14.6 2.9 28.6 72 21 B D H X S+ 0 0 88 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.886 111.8 50.5 -66.8 -38.3 16.1 6.2 27.5 73 22 B Q H X S+ 0 0 92 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.920 112.9 45.2 -64.1 -45.2 18.4 4.3 25.1 74 23 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.838 109.2 56.2 -68.6 -33.8 15.5 2.3 23.7 75 24 B S H X S+ 0 0 29 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.908 110.0 45.5 -65.1 -41.2 13.4 5.4 23.4 76 25 B N H X S+ 0 0 108 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.919 112.6 50.8 -68.0 -42.7 16.0 7.1 21.2 77 26 B D H X S+ 0 0 50 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.911 112.0 46.8 -58.8 -47.4 16.5 4.0 19.1 78 27 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.869 110.9 51.6 -65.1 -40.0 12.8 3.6 18.4 79 28 B N H X S+ 0 0 109 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.932 112.7 45.1 -63.9 -46.2 12.4 7.3 17.6 80 29 B A H X S+ 0 0 36 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.873 112.0 53.0 -65.2 -38.0 15.3 7.2 15.0 81 30 B A H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.857 105.8 52.5 -67.7 -35.5 14.0 3.9 13.6 82 31 B R H X S+ 0 0 103 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.930 112.1 46.5 -65.6 -41.6 10.5 5.3 13.0 83 32 B S H X S+ 0 0 82 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.911 111.2 51.3 -65.0 -42.3 12.0 8.2 11.1 84 33 B D H X S+ 0 0 24 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.864 107.1 54.2 -62.2 -37.9 14.3 6.0 9.1 85 34 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.847 105.4 53.1 -66.2 -35.0 11.3 3.8 8.1 86 35 B Q H X S+ 0 0 85 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.894 106.9 52.4 -66.7 -39.2 9.5 6.9 6.8 87 36 B A H X S+ 0 0 40 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.894 109.3 49.6 -63.4 -38.7 12.5 7.7 4.6 88 37 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.900 109.0 51.9 -67.4 -39.3 12.4 4.2 3.2 89 38 B K H X S+ 0 0 69 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 110.4 49.3 -62.0 -40.3 8.7 4.5 2.5 90 39 B D H X S+ 0 0 81 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.893 109.4 51.9 -67.1 -38.2 9.4 7.7 0.6 91 40 B D H X S+ 0 0 49 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.930 111.4 45.7 -63.9 -45.7 12.2 6.1 -1.4 92 41 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.903 112.8 51.6 -63.6 -40.5 10.0 3.2 -2.5 93 42 B A H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.879 107.9 51.9 -63.2 -39.0 7.2 5.6 -3.4 94 43 B R H X S+ 0 0 135 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.852 105.4 55.1 -67.9 -34.7 9.6 7.7 -5.5 95 44 B A H X S+ 0 0 2 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.921 110.9 44.7 -65.0 -42.7 10.7 4.7 -7.5 96 45 B N H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.866 108.4 59.0 -68.2 -33.9 7.1 3.9 -8.4 97 46 B Q H X S+ 0 0 49 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 102.7 52.3 -60.6 -41.3 6.6 7.6 -9.2 98 47 B R H X S+ 0 0 93 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.874 111.1 47.5 -62.3 -37.0 9.3 7.5 -11.8 99 48 B L H < S+ 0 0 20 -4,-1.2 3,-0.4 1,-0.2 -1,-0.2 0.848 111.5 52.0 -71.4 -34.0 7.6 4.4 -13.4 100 49 B D H < S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 112.2 43.4 -69.0 -41.0 4.2 6.3 -13.2 101 50 B N H < 0 0 130 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.448 360.0 360.0 -88.9 -0.6 5.5 9.4 -15.0 102 51 B M < 0 0 151 -4,-0.6 -3,-0.0 -3,-0.4 -4,-0.0 -0.500 360.0 360.0 -75.6 360.0 7.5 7.8 -17.8 103 !* 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 0.0 104 1 C S 0 0 85 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.6 11.3 -7.4 51.4 105 2 C S + 0 0 135 1,-0.1 2,-0.7 4,-0.0 0, 0.0 0.628 360.0 88.5 -80.8 -10.5 8.7 -6.8 54.1 106 3 C N > - 0 0 54 1,-0.1 4,-2.0 2,-0.0 3,-0.5 -0.791 65.4-158.6 -94.5 111.7 8.0 -3.5 52.3 107 4 C A H > S+ 0 0 82 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.822 93.0 53.9 -57.0 -36.2 5.3 -3.7 49.6 108 5 C K H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 106.7 51.9 -68.6 -35.9 6.5 -0.6 47.9 109 6 C I H > S+ 0 0 24 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.919 109.4 49.0 -68.0 -42.4 10.0 -1.9 47.6 110 7 C D H X S+ 0 0 83 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.899 111.5 50.9 -63.9 -36.6 8.8 -5.1 46.0 111 8 C Q H X S+ 0 0 114 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.903 109.9 47.6 -67.8 -40.8 6.8 -3.1 43.5 112 9 C L H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.845 110.7 52.6 -70.8 -30.3 9.6 -0.9 42.5 113 10 C S H X S+ 0 0 43 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.923 109.9 49.0 -69.3 -40.0 11.9 -3.8 42.1 114 11 C S H X S+ 0 0 64 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.911 110.9 50.7 -62.7 -42.3 9.3 -5.5 39.8 115 12 C D H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.875 109.1 50.0 -63.6 -41.7 8.9 -2.3 37.8 116 13 C A H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.923 113.0 46.3 -65.3 -43.5 12.7 -1.9 37.3 117 14 C Q H X S+ 0 0 76 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.923 114.0 47.6 -64.8 -45.0 13.0 -5.5 36.1 118 15 C T H X S+ 0 0 58 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.898 112.4 50.3 -64.0 -38.8 10.0 -5.3 33.8 119 16 C A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.911 108.7 51.3 -65.1 -43.8 11.3 -2.0 32.4 120 17 C N H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.949 111.9 46.7 -59.3 -50.2 14.8 -3.4 31.6 121 18 C A H X S+ 0 0 60 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.912 113.1 48.4 -60.4 -44.1 13.4 -6.4 29.8 122 19 C K H X S+ 0 0 62 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.878 109.4 53.0 -64.5 -39.1 11.0 -4.3 27.7 123 20 C A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 108.1 50.7 -63.0 -43.2 13.7 -1.8 26.8 124 21 C D H X S+ 0 0 63 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.920 112.4 47.0 -59.0 -45.8 15.9 -4.7 25.5 125 22 C Q H X S+ 0 0 60 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.911 111.0 51.7 -63.8 -43.2 13.1 -6.0 23.4 126 23 C A H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.883 109.9 48.5 -62.2 -40.2 12.3 -2.5 22.0 127 24 C S H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.907 109.4 53.5 -67.9 -39.4 15.9 -1.9 21.0 128 25 C N H X S+ 0 0 107 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.935 111.2 46.1 -58.8 -46.5 16.0 -5.3 19.3 129 26 C D H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.822 109.0 55.0 -65.7 -34.1 12.9 -4.4 17.3 130 27 C A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.934 109.1 47.6 -65.9 -44.6 14.2 -1.0 16.4 131 28 C N H X S+ 0 0 93 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.871 110.6 52.3 -64.1 -35.2 17.4 -2.6 14.9 132 29 C A H X S+ 0 0 29 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.933 108.6 50.6 -65.3 -43.5 15.2 -5.1 13.0 133 30 C A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.901 108.0 52.6 -60.2 -41.4 13.2 -2.2 11.6 134 31 C R H X S+ 0 0 98 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.851 107.6 52.4 -63.9 -33.0 16.3 -0.5 10.5 135 32 C S H X S+ 0 0 81 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.913 112.3 43.8 -69.1 -42.8 17.5 -3.6 8.7 136 33 C D H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.861 110.6 56.2 -69.9 -33.8 14.2 -3.9 6.8 137 34 C A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.900 108.5 47.5 -63.7 -40.2 14.3 -0.2 6.0 138 35 C Q H X S+ 0 0 92 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.889 109.1 53.7 -67.2 -39.6 17.7 -0.7 4.5 139 36 C A H X S+ 0 0 42 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.918 109.8 48.7 -60.4 -43.1 16.4 -3.6 2.5 140 37 C A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.919 111.5 48.4 -62.8 -45.3 13.6 -1.4 1.2 141 38 C K H X S+ 0 0 46 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 111.5 50.1 -62.7 -42.2 16.1 1.4 0.2 142 39 C D H X S+ 0 0 97 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.903 112.1 47.1 -64.4 -40.6 18.4 -1.1 -1.6 143 40 C D H X S+ 0 0 41 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.854 110.7 51.5 -71.7 -32.9 15.5 -2.6 -3.6 144 41 C A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.6 50.5 -69.5 -36.4 14.2 0.8 -4.5 145 42 C A H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.871 106.4 56.3 -66.8 -35.5 17.7 1.8 -5.7 146 43 C R H X S+ 0 0 114 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.927 107.0 49.1 -61.3 -44.1 17.8 -1.4 -7.7 147 44 C A H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.942 111.0 48.8 -62.0 -46.4 14.5 -0.4 -9.5 148 45 C N H X S+ 0 0 42 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.862 111.3 50.9 -62.0 -35.2 15.9 3.1 -10.3 149 46 C Q H X S+ 0 0 129 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.886 108.7 50.5 -69.8 -39.2 19.1 1.6 -11.7 150 47 C R H < S+ 0 0 75 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.896 111.4 49.3 -64.7 -39.4 17.2 -0.8 -13.9 151 48 C L H >< S+ 0 0 20 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.919 112.4 47.5 -66.0 -42.7 15.1 2.1 -15.3 152 49 C D H 3< S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 111.5 51.0 -69.3 -27.4 18.3 4.2 -15.9 153 50 C N T 3< S+ 0 0 124 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.279 81.4 134.9 -94.8 12.1 20.0 1.2 -17.6 154 51 C M < 0 0 104 -3,-1.1 -3,-0.1 -4,-0.1 -4,-0.0 -0.288 360.0 360.0 -63.4 144.5 17.1 0.5 -20.0 155 52 C A 0 0 151 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.463 360.0 360.0 -78.1 360.0 17.9 -0.2 -23.7