==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 26-APR-96 1RYT . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR F.DEMARE,D.M.KURTZ,P.NORDLUND . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10740.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 71.1 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 . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 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 . 1 0 1 0 1 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 1 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 2 A K 0 0 185 0, 0.0 2,-0.1 0, 0.0 111,-0.0 0.000 360.0 360.0 360.0-169.7 -25.0 29.8 5.3 2 3 A S - 0 0 62 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.436 360.0-152.2 -65.1 143.4 -23.0 30.3 2.1 3 4 A L + 0 0 6 59,-0.1 6,-0.4 -2,-0.1 3,-0.2 0.741 58.9 112.0 -89.2 -26.4 -19.2 30.1 2.6 4 5 A K S S+ 0 0 128 1,-0.2 -2,-0.1 5,-0.1 4,-0.0 -0.252 80.7 15.3 -55.5 127.2 -18.2 32.3 -0.3 5 6 A G S S+ 0 0 61 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.969 95.6 116.0 73.7 58.9 -16.7 35.6 0.7 6 7 A S S > S- 0 0 8 -3,-0.2 4,-1.4 1,-0.1 -1,-0.3 -0.967 74.0-118.1-149.1 156.3 -15.9 35.0 4.4 7 8 A R H > S+ 0 0 145 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.855 115.3 60.8 -64.8 -33.8 -12.7 34.9 6.4 8 9 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 99.2 55.1 -59.4 -40.8 -13.5 31.3 7.2 9 10 A E H > S+ 0 0 17 -6,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.935 111.0 44.2 -60.7 -47.3 -13.4 30.4 3.5 10 11 A K H X S+ 0 0 75 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.889 112.1 54.9 -65.5 -34.1 -9.9 31.8 3.2 11 12 A N H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.866 104.4 52.5 -67.4 -37.9 -9.0 30.0 6.5 12 13 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.904 109.0 49.7 -65.4 -41.2 -10.1 26.6 5.3 13 14 A L H X S+ 0 0 36 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.899 111.2 50.5 -65.3 -38.7 -8.0 26.9 2.1 14 15 A T H X S+ 0 0 28 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 111.8 46.0 -64.2 -43.5 -5.0 27.9 4.3 15 16 A A H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.941 112.1 52.3 -65.1 -43.1 -5.5 25.0 6.6 16 17 A F H X S+ 0 0 50 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.917 111.0 47.9 -59.2 -41.8 -5.9 22.7 3.6 17 18 A A H X S+ 0 0 24 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.868 113.8 45.0 -68.3 -42.5 -2.6 24.0 2.1 18 19 A G H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.929 114.4 48.8 -68.8 -43.0 -0.6 23.6 5.3 19 20 A E H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.901 109.4 54.7 -63.4 -34.2 -2.0 20.1 5.9 20 21 A S H X S+ 0 0 44 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.915 110.5 43.7 -65.0 -43.5 -1.2 19.2 2.3 21 22 A Q H X S+ 0 0 70 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.870 110.1 57.4 -69.7 -34.2 2.4 20.2 2.7 22 23 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.900 101.6 55.8 -63.5 -39.6 2.6 18.4 6.1 23 24 A R H X S+ 0 0 100 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.895 111.3 43.8 -59.4 -40.4 1.5 15.1 4.5 24 25 A N H X S+ 0 0 81 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.958 113.7 50.4 -71.0 -50.1 4.4 15.3 2.1 25 26 A R H X S+ 0 0 48 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.936 110.6 49.1 -52.6 -47.9 6.9 16.4 4.8 26 27 A Y H X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.892 110.8 50.7 -62.3 -36.1 5.9 13.5 7.1 27 28 A N H X S+ 0 0 66 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.912 112.4 45.7 -68.3 -39.0 6.2 11.0 4.2 28 29 A Y H X S+ 0 0 121 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.951 113.3 50.8 -67.4 -44.1 9.8 12.3 3.4 29 30 A F H X S+ 0 0 8 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.865 106.0 55.8 -61.7 -36.0 10.6 12.3 7.1 30 31 A G H X S+ 0 0 5 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 0.915 105.6 52.2 -61.3 -41.7 9.3 8.7 7.3 31 32 A G H X S+ 0 0 27 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.909 110.5 46.3 -60.0 -44.4 11.8 7.8 4.5 32 33 A Q H X S+ 0 0 50 -4,-1.9 4,-1.0 2,-0.2 50,-0.2 0.885 109.3 55.2 -66.6 -37.0 14.8 9.3 6.4 33 34 A A H >X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.910 107.1 50.7 -61.9 -42.4 13.7 7.6 9.7 34 35 A K H ><5S+ 0 0 100 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.899 110.8 48.5 -62.6 -41.6 13.7 4.2 7.8 35 36 A K H 3<5S+ 0 0 159 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.623 107.3 57.0 -74.9 -14.5 17.2 5.1 6.6 36 37 A D H <<5S- 0 0 62 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.527 122.0-103.9 -91.3 -6.3 18.3 6.0 10.1 37 38 A G T <<5S+ 0 0 23 -3,-0.9 2,-0.5 -4,-0.5 -3,-0.2 0.711 86.0 120.1 89.8 25.6 17.3 2.6 11.5 38 39 A F >< + 0 0 38 -5,-2.4 4,-2.2 1,-0.1 144,-0.1 -0.736 25.4 163.8-122.2 80.8 14.1 3.6 13.2 39 40 A V H > S+ 0 0 10 142,-1.5 4,-2.4 -2,-0.5 5,-0.2 0.886 76.6 50.2 -67.3 -39.7 11.3 1.5 11.5 40 41 A Q H > S+ 0 0 55 141,-0.5 4,-1.7 143,-0.3 -1,-0.2 0.946 114.2 45.9 -63.8 -46.1 8.7 2.1 14.2 41 42 A I H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 109.0 57.0 -62.3 -37.5 9.3 5.8 14.0 42 43 A S H X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.953 108.3 46.2 -59.3 -48.2 9.2 5.6 10.2 43 44 A D H X S+ 0 0 53 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.814 107.4 57.1 -67.2 -28.6 5.7 4.1 10.3 44 45 A I H X S+ 0 0 23 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.934 107.2 48.7 -67.9 -41.8 4.4 6.7 12.8 45 46 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.917 112.4 49.2 -60.7 -45.9 5.5 9.5 10.3 46 47 A A H X S+ 0 0 32 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.923 111.7 48.1 -61.2 -43.3 3.7 7.6 7.6 47 48 A E H X S+ 0 0 77 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.920 112.0 49.6 -63.9 -43.7 0.6 7.2 9.7 48 49 A T H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.896 106.7 55.0 -63.0 -38.8 0.6 10.8 10.6 49 50 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.955 109.9 48.6 -57.8 -44.2 1.0 11.8 7.0 50 51 A D H X S+ 0 0 67 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.838 108.7 51.8 -64.5 -37.2 -2.2 9.7 6.3 51 52 A Q H X S+ 0 0 72 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.900 107.3 51.9 -71.1 -37.4 -4.0 11.3 9.1 52 53 A E H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.868 104.1 58.9 -64.9 -31.4 -3.2 14.8 7.8 53 54 A R H X S+ 0 0 89 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.901 108.1 46.4 -61.1 -38.2 -4.6 13.7 4.5 54 55 A E H X S+ 0 0 84 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.791 109.9 50.2 -75.9 -30.1 -7.8 13.0 6.3 55 56 A H H X S+ 0 0 29 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.926 112.4 50.6 -69.9 -43.9 -7.9 16.3 8.1 56 57 A A H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.882 107.7 53.1 -60.3 -37.0 -7.3 17.9 4.7 57 58 A K H X S+ 0 0 102 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.879 107.0 50.3 -67.8 -40.5 -10.2 15.9 3.1 58 59 A R H < S+ 0 0 116 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.908 114.9 44.0 -63.4 -43.9 -12.8 17.0 5.7 59 60 A L H >X S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 4,-0.7 0.933 110.8 54.0 -64.9 -48.0 -11.8 20.7 5.2 60 61 A F H >< S+ 0 0 116 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.857 98.8 64.0 -55.7 -40.7 -11.7 20.4 1.4 61 62 A K T 3< S+ 0 0 146 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.571 97.2 57.7 -62.1 -12.6 -15.2 19.0 1.4 62 63 A F T <4 S+ 0 0 36 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.740 84.7 100.0 -85.7 -30.1 -16.4 22.3 2.8 63 64 A L << + 0 0 47 -3,-1.1 -54,-0.0 -4,-0.7 -3,-0.0 -0.323 41.3 171.3 -60.9 138.5 -15.0 24.3 -0.2 64 65 A E + 0 0 93 -2,-0.0 -1,-0.1 2,-0.0 2,-0.1 0.449 46.1 64.8-128.7 -3.2 -17.5 25.3 -2.9 65 66 A G S S- 0 0 54 1,-0.2 3,-0.1 0, 0.0 -2,-0.0 -0.124 70.2-100.3-114.1-157.1 -15.8 27.7 -5.3 66 67 A G S S- 0 0 76 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.626 78.8 -3.8 -94.0-115.9 -13.1 28.4 -7.9 67 68 A D - 0 0 173 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.622 58.0-175.0 -86.9 145.4 -9.8 30.1 -7.4 68 69 A L - 0 0 52 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.982 18.8-134.4-145.1 123.9 -8.8 31.6 -4.0 69 70 A E - 0 0 177 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.628 23.0-167.7 -79.4 139.2 -5.7 33.7 -3.2 70 71 A I - 0 0 53 -2,-0.3 2,-0.5 -57,-0.1 -59,-0.0 -0.925 15.4-163.1-128.4 145.9 -3.8 32.8 -0.0 71 72 A V + 0 0 141 -2,-0.3 2,-0.3 2,-0.0 -57,-0.0 -0.997 37.1 135.1-127.9 118.4 -1.0 34.7 1.9 72 73 A A - 0 0 44 -2,-0.5 2,-0.5 2,-0.0 -2,-0.1 -0.969 49.0-122.0-165.7 151.0 0.8 32.4 4.3 73 74 A A + 0 0 103 -2,-0.3 -2,-0.0 3,-0.0 0, 0.0 -0.849 30.8 177.7-101.2 131.6 4.2 31.4 5.6 74 75 A F - 0 0 75 -2,-0.5 2,-0.4 -53,-0.0 -2,-0.0 -0.905 42.2 -86.4-128.8 154.5 5.3 27.7 5.4 75 76 A P - 0 0 73 0, 0.0 2,-2.2 0, 0.0 3,-0.0 -0.497 37.2-136.3 -67.2 117.9 8.5 26.0 6.4 76 77 A A - 0 0 107 -2,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.528 52.5 -86.7 -74.8 73.7 10.9 26.3 3.5 77 78 A G + 0 0 55 -2,-2.2 -1,-0.1 1,-0.1 -52,-0.0 -0.225 51.9 162.5 76.5-158.3 12.1 22.7 3.6 78 79 A I - 0 0 129 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.869 15.3-166.3 84.4 106.7 14.7 20.6 5.2 79 80 A I + 0 0 86 -51,-0.0 -1,-0.1 -47,-0.0 2,-0.1 -0.986 33.6 157.6-106.4 116.6 14.9 16.9 5.6 80 81 A A - 0 0 31 -2,-0.6 2,-0.1 1,-0.3 -48,-0.0 -0.318 48.8 -42.2-121.2-154.4 17.6 16.3 8.2 81 82 A D > - 0 0 90 -2,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.445 66.1-103.6 -72.3 157.6 18.5 13.5 10.6 82 83 A T H > S+ 0 0 1 1,-0.2 4,-2.3 -50,-0.2 5,-0.2 0.844 117.0 55.5 -53.0 -44.7 15.5 11.9 12.3 83 84 A H H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 112.4 44.3 -57.4 -44.7 15.9 13.5 15.8 84 85 A A H > S+ 0 0 36 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.870 110.9 54.2 -66.8 -38.0 15.8 17.0 14.2 85 86 A N H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.870 108.3 49.9 -63.5 -36.9 12.9 16.0 11.9 86 87 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.868 110.8 49.7 -68.7 -36.6 10.9 14.9 15.0 87 88 A I H X S+ 0 0 81 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.867 112.1 47.2 -70.2 -39.3 11.7 18.2 16.7 88 89 A A H X S+ 0 0 55 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.887 112.3 50.7 -70.9 -37.3 10.6 20.2 13.6 89 90 A S H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.957 108.4 49.7 -65.7 -50.6 7.4 18.2 13.3 90 91 A A H X S+ 0 0 2 -4,-2.2 4,-3.5 1,-0.2 -1,-0.2 0.921 110.5 53.1 -53.8 -43.3 6.3 18.6 17.0 91 92 A A H X S+ 0 0 59 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.894 110.6 45.4 -61.0 -41.6 6.9 22.4 16.5 92 93 A G H X S+ 0 0 26 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.930 114.5 47.8 -68.1 -42.7 4.7 22.5 13.5 93 94 A E H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.924 109.2 56.8 -61.1 -40.6 2.0 20.4 15.2 94 95 A H H X S+ 0 0 76 -4,-3.5 4,-2.0 -5,-0.3 5,-0.3 0.888 105.4 48.2 -58.7 -47.5 2.4 22.7 18.2 95 96 A H H X>S+ 0 0 92 -4,-1.9 5,-2.4 1,-0.2 4,-1.8 0.815 108.7 56.2 -64.9 -32.6 1.6 25.8 16.2 96 97 A E H <>S+ 0 0 13 -4,-1.6 5,-2.7 3,-0.2 -2,-0.2 0.945 115.2 33.5 -66.3 -48.0 -1.5 24.2 14.6 97 98 A Y H <5S+ 0 0 32 -4,-2.0 -2,-0.2 30,-0.2 -1,-0.2 0.775 126.0 40.6 -83.1 -25.1 -3.2 23.2 17.9 98 99 A T H <5S+ 0 0 48 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.878 135.5 4.2 -90.0 -37.6 -2.1 26.2 19.9 99 100 A E T X5S+ 0 0 114 -4,-1.8 4,-1.7 -5,-0.3 5,-0.2 0.838 124.4 44.3-112.4 -58.8 -2.4 29.0 17.4 100 101 A M H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.943 114.0 45.6 -57.4 -45.3 -8.1 27.9 17.9 103 104 A S H X S+ 0 0 35 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.905 113.3 47.4 -63.3 -47.5 -8.0 31.1 15.9 104 105 A F H X S+ 0 0 25 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.846 112.4 51.1 -65.1 -33.9 -9.8 29.7 12.8 105 106 A A H X S+ 0 0 2 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.851 109.0 51.4 -70.5 -34.6 -12.4 28.1 15.1 106 107 A R H X S+ 0 0 125 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.908 111.8 45.9 -68.4 -43.2 -13.0 31.4 16.8 107 108 A I H X S+ 0 0 20 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.892 106.5 57.6 -68.0 -42.1 -13.5 33.2 13.5 108 109 A A H <>S+ 0 0 0 -4,-2.1 5,-3.4 1,-0.2 -1,-0.2 0.842 108.3 49.7 -59.1 -32.1 -15.8 30.6 12.1 109 110 A R H ><5S+ 0 0 120 -4,-1.2 3,-2.4 3,-0.2 -2,-0.2 0.949 106.1 52.4 -71.0 -51.5 -18.0 31.2 15.2 110 111 A E H 3<5S+ 0 0 138 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.835 112.4 50.8 -52.7 -32.3 -18.1 35.0 14.8 111 112 A E T 3<5S- 0 0 42 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.318 121.1-105.1 -91.0 6.7 -19.2 34.2 11.2 112 113 A G T < 5S+ 0 0 56 -3,-2.4 2,-0.5 1,-0.1 -3,-0.2 0.743 83.4 122.4 78.6 22.7 -22.0 31.8 12.0 113 114 A Y >< + 0 0 15 -5,-3.4 4,-1.7 1,-0.2 3,-0.2 -0.654 21.8 155.6-115.7 72.4 -20.2 28.6 11.0 114 115 A E H > S+ 0 0 118 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.917 70.6 56.9 -65.0 -42.9 -20.5 26.6 14.2 115 116 A E H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.851 109.9 45.8 -58.5 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