==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 11-NOV-08 3F86 . COMPND 2 MOLECULE: GCN4PLI-BETAAD; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.W.GIULIANO,W.S.HORNE,S.H.GELLMAN . 263 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 89.4 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 85.2 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 1 7 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 R > 0 0 114 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 155.7 14.4 -13.1 19.6 2 2 A X H > + 0 0 26 2,-0.2 4,-2.8 1,-0.1 5,-0.1 0.918 360.0 45.6 -10.6 -68.8 11.4 -15.2 17.2 3 3 A K H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.888 103.6 50.2 -62.7 -44.8 9.2 -14.7 20.3 4 4 A Q H > S+ 0 0 79 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.864 112.5 55.3 -71.9 -38.4 9.9 -11.1 21.0 5 5 A X H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.964 115.6 45.4 -22.8 -72.8 8.9 -10.9 16.4 6 6 A E H X S+ 0 0 55 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.886 115.5 40.6 -52.4 -50.8 5.7 -12.6 17.9 7 7 A D H X S+ 0 0 60 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.923 117.3 44.3 -69.3 -43.7 5.2 -10.3 20.9 8 8 A K H X S+ 0 0 20 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.891 113.0 59.2 -77.7 -40.5 6.0 -7.0 19.2 9 9 A X H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.931 113.1 45.3 -16.7 -68.8 3.4 -8.9 15.9 10 10 A E H X S+ 0 0 82 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.881 107.0 45.7 -59.2 -46.9 0.9 -8.9 18.8 11 11 A E H X S+ 0 0 86 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.956 115.3 53.9 -72.4 -51.2 1.5 -5.3 20.1 12 12 A X H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.960 113.7 47.8 -9.8 -84.1 1.2 -4.4 15.6 13 13 A L H X S+ 0 0 22 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.844 114.7 41.7 -39.9 -53.2 -2.1 -6.2 15.9 14 14 A S H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 114.5 44.6 -72.6 -48.6 -3.3 -4.4 19.1 15 15 A K H X S+ 0 0 70 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.844 114.3 60.0 -72.2 -31.8 -2.3 -0.8 18.2 16 16 A X H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 -2,-0.2 0.973 113.7 41.5 -20.7 -78.6 -4.2 -2.2 14.2 17 17 A Y H X S+ 0 0 125 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.846 109.8 47.6 -52.9 -43.7 -7.3 -2.7 16.4 18 18 A H H X S+ 0 0 88 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.969 113.8 52.9 -74.1 -55.3 -7.0 0.5 18.4 19 19 A X H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.950 115.2 47.7 -10.2 -74.0 -6.4 2.4 14.3 20 20 A E H X S+ 0 0 60 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.850 112.0 44.4 -52.1 -47.4 -9.6 0.6 13.7 21 21 A N H X S+ 0 0 81 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.930 114.9 43.7 -69.1 -46.9 -11.4 1.7 16.9 22 22 A E H X S+ 0 0 17 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.877 114.4 57.6 -75.5 -38.9 -10.5 5.3 16.7 23 23 A X H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 -2,-0.2 0.972 114.4 45.1 -20.9 -73.7 -11.5 4.7 12.2 24 24 A A H X S+ 0 0 41 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.906 108.7 44.8 -49.6 -53.7 -14.9 3.7 13.8 25 25 A R H X S+ 0 0 128 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.934 114.9 53.4 -69.9 -50.1 -15.2 6.5 16.3 26 26 A X H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.900 115.3 48.5 -15.6 -63.7 -13.9 9.2 12.7 27 27 A K H X S+ 0 0 61 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.922 111.3 41.9 -60.8 -52.9 -16.8 7.4 11.2 28 28 A K H < S+ 0 0 141 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.945 115.4 46.9 -62.1 -51.1 -19.4 7.8 13.9 29 29 A L H >< S+ 0 0 26 -4,-2.6 3,-1.8 2,-0.2 -2,-0.2 0.961 110.9 59.2 -65.1 -53.3 -18.6 11.4 14.6 30 30 A X H >< S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.937 108.2 51.1 -6.0 -76.5 -18.8 11.6 10.0 31 31 A G T 3< S+ 0 0 47 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.466 104.6 51.9 -62.0 -7.5 -22.3 10.4 10.8 32 32 A E T < 0 0 102 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 -0.010 360.0 360.0-114.7 26.3 -23.1 13.2 13.3 33 33 A X < 0 0 177 -3,-1.6 4,-0.1 2,-0.0 -3,-0.1 -0.862 360.0 360.0-118.2 360.0 -22.0 16.0 11.0 34 !* 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 35 1 B R >> 0 0 126 0, 0.0 4,-2.3 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 153.0 -18.2 17.1 3.4 36 2 B X H 3> + 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.876 360.0 46.2 2.9 -83.4 -19.9 14.5 6.7 37 3 B K H 3> S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.810 106.6 47.4 -47.9 -46.3 -20.1 11.8 4.1 38 4 B Q H <> S+ 0 0 108 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.880 111.0 58.5 -79.1 -39.6 -16.7 12.1 2.6 39 5 B X H X S+ 0 0 18 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.947 113.1 45.7 -14.6 -73.7 -15.5 12.2 7.1 40 6 B E H X S+ 0 0 57 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.892 113.0 44.8 -54.8 -52.2 -17.3 8.8 6.9 41 7 B D H X S+ 0 0 87 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.911 114.3 44.5 -61.7 -46.5 -15.6 7.5 3.7 42 8 B K H X S+ 0 0 20 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.908 114.0 57.9 -72.5 -43.0 -12.1 8.6 4.6 43 9 B X H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.947 113.6 44.9 -18.6 -69.0 -13.4 6.6 8.7 44 10 B E H X S+ 0 0 88 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.890 105.7 47.6 -59.9 -45.7 -13.9 3.7 6.4 45 11 B E H X S+ 0 0 49 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 113.0 56.5 -71.7 -45.6 -10.7 3.9 4.4 46 12 B X H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.956 113.4 45.8 -12.7 -76.1 -9.1 4.3 8.7 47 13 B L H X S+ 0 0 46 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.878 113.9 44.0 -52.1 -49.2 -10.9 1.0 9.2 48 14 B S H X S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.923 115.9 42.5 -69.4 -45.6 -9.6 -0.7 6.1 49 15 B K H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.835 115.1 58.2 -76.1 -34.6 -6.0 0.3 6.2 50 16 B X H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.962 113.1 46.3 -21.4 -75.4 -6.7 -0.8 10.7 51 17 B Y H X S+ 0 0 126 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.902 107.6 44.4 -49.2 -56.7 -7.6 -4.1 9.1 52 18 B H H X S+ 0 0 72 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.884 113.3 57.5 -75.3 -37.2 -4.7 -4.6 6.7 53 19 B X H X S+ 0 0 17 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.970 114.5 45.1 -19.7 -72.9 -2.1 -3.2 10.3 54 20 B E H X S+ 0 0 9 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.904 114.1 43.6 -53.5 -50.7 -3.9 -6.3 11.7 55 21 B N H X S+ 0 0 68 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.951 117.3 41.8 -63.5 -49.1 -3.4 -8.6 8.8 56 22 B E H X S+ 0 0 38 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.882 114.7 59.6 -73.5 -41.4 0.3 -7.7 8.1 57 23 B X H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.957 114.4 41.1 -13.6 -78.5 0.4 -7.9 12.7 58 24 B A H X S+ 0 0 44 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.851 108.2 50.1 -54.3 -47.1 -0.7 -11.5 12.1 59 25 B R H X S+ 0 0 75 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.924 112.2 53.8 -72.4 -46.3 1.5 -12.3 9.1 60 26 B X H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.924 114.5 48.4 -15.2 -66.0 4.8 -10.7 11.8 61 27 B K H X S+ 0 0 60 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.875 112.0 42.2 -59.1 -47.1 3.4 -13.2 14.1 62 28 B K H X S+ 0 0 113 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 115.4 45.6 -70.1 -51.1 3.2 -16.1 11.8 63 29 B L H < S+ 0 0 22 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.855 114.6 54.9 -69.9 -38.1 6.6 -15.6 10.2 64 30 B X H >< S+ 0 0 2 -4,-2.7 3,-1.4 -5,-0.2 -2,-0.2 0.966 113.6 48.9 -24.0 -70.8 7.9 -15.0 14.7 65 31 B G H 3< S+ 0 0 48 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.803 104.1 51.8 -51.7 -43.1 6.2 -18.5 14.8 66 32 B E T 3< 0 0 121 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.584 360.0 360.0 -73.7 -10.8 8.1 -20.1 11.8 67 33 B X < 0 0 167 -3,-1.4 -2,-0.1 -5,-0.2 -3,-0.1 0.969 360.0 360.0-114.8 360.0 11.3 -19.0 13.4 68 !* 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 69 1 C R > 0 0 58 0, 0.0 4,-1.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 140.5 14.2 -13.5 4.2 70 2 C X H > + 0 0 27 2,-0.2 4,-2.4 1,-0.2 64,-0.1 0.823 360.0 49.9 -19.5 -42.3 16.1 -10.5 7.1 71 3 C K H > S+ 0 0 101 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.882 93.9 51.2 -82.2 -43.5 15.7 -8.8 3.7 72 4 C Q H > S+ 0 0 120 2,-0.2 4,-1.2 3,-0.2 -2,-0.2 0.792 115.4 54.3 -66.8 -29.7 12.2 -9.5 2.9 73 5 C X H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.876 114.0 46.9 -32.0 -64.2 12.1 -7.7 7.3 74 6 C E H X S+ 0 0 46 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.931 115.2 39.0 -58.9 -52.9 14.0 -4.9 5.6 75 7 C D H X S+ 0 0 68 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.898 118.1 45.4 -69.7 -43.1 11.8 -4.4 2.6 76 8 C K H X S+ 0 0 34 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.902 112.4 57.8 -76.5 -40.7 8.5 -4.9 4.4 77 9 C X H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.934 113.9 45.7 -16.6 -65.8 10.4 -2.1 7.5 78 10 C E H X S+ 0 0 74 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.917 101.7 50.2 -61.1 -49.2 10.5 -0.0 4.4 79 11 C E H X S+ 0 0 31 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.902 111.7 57.8 -67.1 -42.6 7.0 -0.6 3.2 80 12 C X H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.955 111.6 46.7 -16.0 -76.3 6.2 0.6 7.7 81 13 C L H X S+ 0 0 35 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.882 116.2 40.5 -50.0 -49.6 8.1 3.8 6.7 82 14 C S H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 116.3 43.9 -72.2 -47.4 6.2 4.3 3.5 83 15 C K H X S+ 0 0 9 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 116.0 56.5 -71.5 -42.2 2.6 3.4 4.7 84 16 C X H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.977 113.0 47.0 -17.3 -74.3 4.2 6.0 8.3 85 17 C Y H X S+ 0 0 48 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.899 106.9 44.4 -49.1 -52.1 4.6 8.6 5.4 86 18 C H H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.912 116.3 54.4 -75.6 -42.1 1.3 8.2 3.6 87 19 C X H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.944 113.8 46.8 -17.4 -73.3 -0.3 8.3 8.0 88 20 C E H X S+ 0 0 10 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.909 115.1 41.9 -53.6 -50.3 1.7 11.6 8.1 89 21 C N H X S+ 0 0 63 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.932 116.8 42.5 -67.0 -49.7 0.4 13.0 4.8 90 22 C E H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 115.0 58.5 -73.1 -44.6 -3.3 12.1 5.1 91 23 C X H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.958 113.8 44.1 -13.8 -75.8 -2.6 13.6 9.4 92 24 C A H X S+ 0 0 44 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.865 108.6 45.7 -53.6 -47.4 -1.6 16.8 7.6 93 25 C R H X S+ 0 0 105 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.948 114.6 55.6 -74.8 -49.6 -4.3 17.0 5.0 94 26 C X H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.958 115.7 43.0 -12.1 -77.7 -7.0 16.1 8.6 95 27 C K H X S+ 0 0 69 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.875 116.0 43.8 -54.2 -48.3 -5.3 19.1 10.1 96 28 C K H X S+ 0 0 142 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.960 114.2 46.1 -65.8 -50.9 -5.4 21.4 7.0 97 29 C L H >< S+ 0 0 44 -4,-3.2 3,-0.6 2,-0.2 -2,-0.2 0.923 112.0 57.8 -64.3 -50.7 -9.0 20.6 6.1 98 30 C X H >< S+ 0 0 2 -4,-3.0 3,-1.3 -5,-0.2 -2,-0.2 0.944 108.6 55.3 -13.0 -69.7 -9.5 21.3 10.7 99 31 C G H 3< S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.736 98.2 51.2 -51.1 -39.5 -8.0 24.7 9.5 100 32 C E T << 0 0 142 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.1 0.103 360.0 360.0 -91.0 22.2 -10.5 25.7 6.8 101 33 C X < 0 0 143 -3,-1.3 4,-0.2 -5,-0.1 3,-0.1 -0.511 360.0 360.0-116.0 360.0 -13.3 25.1 9.4 102 !* 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 0.0 103 1 D R >> 0 0 119 0, 0.0 4,-2.2 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 138.9 -15.0 21.1 17.4 104 2 D X H 3> + 0 0 27 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.809 360.0 45.5 10.9 -79.0 -12.6 22.5 13.9 105 3 D K H 3> S+ 0 0 68 2,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.869 105.7 48.5 -59.2 -45.4 -9.8 22.9 16.4 106 4 D Q H <> S+ 0 0 103 -3,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.821 111.8 58.7 -75.6 -29.8 -10.1 19.7 18.4 107 5 D X H X S+ 0 0 26 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.943 111.7 45.9 -24.5 -73.1 -10.2 18.2 13.9 108 6 D E H X S+ 0 0 63 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.888 115.4 42.0 -53.2 -47.7 -6.7 19.9 14.0 109 7 D D H X S+ 0 0 101 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.889 114.4 45.6 -71.4 -44.4 -5.5 18.5 17.3 110 8 D K H X S+ 0 0 38 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.910 113.3 58.5 -72.5 -42.4 -6.8 14.9 16.8 111 9 D X H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.952 115.1 42.8 -16.8 -70.4 -4.8 15.7 12.6 112 10 D E H X S+ 0 0 67 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.906 107.7 46.6 -59.0 -50.3 -1.8 16.3 14.8 113 11 D E H X S+ 0 0 84 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 118.3 50.9 -67.8 -47.9 -2.1 13.4 17.3 114 12 D X 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