==== 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 12-JAN-04 1S2Z . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR S.JIN,D.M.KURTZ JR.,Z.-J.LIU,J.ROSE,B.-C.WANG . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 72.6 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 53.2 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 2 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 . 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 0 184 0, 0.0 2,-0.0 0, 0.0 111,-0.0 0.000 360.0 360.0 360.0 170.5 -0.5 29.5 55.3 2 3 A S - 0 0 42 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.279 360.0-147.8 -66.2 150.3 1.9 30.1 52.4 3 4 A L > + 0 0 7 59,-0.2 3,-2.6 5,-0.1 6,-0.5 0.618 53.0 132.8 -91.0 -17.5 5.7 30.5 53.1 4 5 A K T 3 S- 0 0 152 1,-0.3 3,-0.1 5,-0.1 4,-0.1 -0.044 79.4 -0.6 -41.5 124.2 6.2 32.9 50.1 5 6 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.396 100.6 128.7 75.7 -2.7 8.2 36.0 51.0 6 7 A S <> - 0 0 11 -3,-2.6 4,-1.1 1,-0.1 -1,-0.2 -0.397 68.6-124.8 -83.8 162.0 8.6 35.0 54.6 7 8 A R H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.829 112.1 61.5 -71.6 -31.3 11.9 34.9 56.5 8 9 A T H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.869 97.0 57.2 -62.3 -38.6 11.1 31.3 57.4 9 10 A E H > S+ 0 0 24 -6,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.933 110.5 44.2 -58.3 -45.1 11.1 30.3 53.7 10 11 A K H X S+ 0 0 99 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.882 112.1 52.6 -67.1 -38.4 14.6 31.6 53.5 11 12 A N H X S+ 0 0 23 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.890 106.5 53.5 -65.6 -38.1 15.6 29.9 56.7 12 13 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.940 111.6 44.3 -61.6 -47.1 14.3 26.6 55.5 13 14 A L H X S+ 0 0 35 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.899 112.3 53.6 -65.1 -38.1 16.4 26.8 52.3 14 15 A T H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.937 110.9 45.5 -60.9 -46.7 19.4 28.0 54.3 15 16 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.916 112.0 52.7 -63.2 -42.2 19.1 24.9 56.6 16 17 A F H X S+ 0 0 50 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.914 109.0 49.4 -59.4 -44.0 18.6 22.7 53.6 17 18 A A H X S+ 0 0 21 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.923 114.9 44.1 -62.0 -44.9 21.8 24.1 52.0 18 19 A G H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.896 112.9 49.9 -67.8 -41.7 23.8 23.5 55.2 19 20 A E H X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.861 108.6 54.7 -65.4 -34.7 22.4 20.1 55.9 20 21 A S H X S+ 0 0 44 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.894 110.1 45.3 -65.1 -42.1 23.2 19.1 52.3 21 22 A Q H X S+ 0 0 65 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.871 109.2 56.3 -69.3 -37.1 26.8 20.1 52.8 22 23 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.895 102.6 56.2 -61.9 -39.6 27.0 18.3 56.1 23 24 A R H X S+ 0 0 95 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.941 111.0 43.5 -57.9 -48.1 25.9 15.1 54.5 24 25 A N H X S+ 0 0 81 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.960 113.4 50.3 -62.5 -51.8 28.8 15.3 52.1 25 26 A R H X S+ 0 0 38 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.922 110.8 49.6 -53.5 -48.2 31.3 16.3 54.7 26 27 A Y H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.873 109.4 51.1 -61.7 -37.7 30.3 13.4 57.0 27 28 A N H X S+ 0 0 59 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.901 111.6 48.1 -67.1 -37.4 30.5 10.8 54.2 28 29 A Y H X S+ 0 0 120 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.923 111.9 48.7 -67.4 -42.2 34.1 12.1 53.4 29 30 A F H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.840 107.5 57.4 -64.9 -32.4 35.0 12.0 57.1 30 31 A G H X S+ 0 0 4 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.933 106.9 47.3 -62.8 -45.4 33.6 8.5 57.2 31 32 A G H X S+ 0 0 31 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.882 112.3 49.9 -63.1 -38.0 35.9 7.4 54.4 32 33 A Q H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.883 106.5 55.4 -68.4 -37.7 38.9 9.0 56.2 33 34 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-0.3 0.885 105.9 52.6 -61.3 -38.7 37.9 7.2 59.4 34 35 A K H ><5S+ 0 0 130 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.937 109.4 48.5 -62.1 -45.7 38.1 3.9 57.5 35 36 A K H 3<5S+ 0 0 165 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.855 108.7 54.4 -62.7 -34.7 41.6 4.9 56.3 36 37 A D T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.456 121.4-107.9 -79.8 -0.2 42.6 5.8 59.9 37 38 A G T < 5S+ 0 0 23 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.807 80.5 125.0 80.6 30.6 41.5 2.3 61.1 38 39 A F >< + 0 0 38 -5,-2.6 4,-2.1 1,-0.2 -1,-0.1 -0.759 25.0 167.7-122.4 83.1 38.3 3.3 63.0 39 40 A V H > S+ 0 0 15 142,-1.8 4,-2.5 -2,-0.5 5,-0.2 0.913 76.4 49.5 -64.8 -46.4 35.5 1.2 61.5 40 41 A Q H > S+ 0 0 57 141,-0.6 4,-1.8 143,-0.3 -1,-0.2 0.941 114.4 46.6 -58.6 -45.9 32.8 1.9 64.2 41 42 A I H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 109.9 54.5 -63.7 -36.7 33.5 5.7 63.8 42 43 A S H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.922 109.9 45.9 -63.0 -44.0 33.4 5.4 60.0 43 44 A D H X S+ 0 0 55 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.825 109.7 55.8 -69.4 -29.3 30.0 3.8 60.2 44 45 A I H X S+ 0 0 24 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.904 107.6 48.6 -67.4 -42.5 28.9 6.4 62.7 45 46 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 49.0 -62.4 -45.2 29.9 9.2 60.2 46 47 A A H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.915 112.1 47.6 -61.4 -44.3 28.0 7.4 57.4 47 48 A E H X S+ 0 0 83 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.916 111.2 50.9 -64.3 -42.3 24.9 7.0 59.5 48 49 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.911 108.4 53.1 -61.4 -39.7 25.0 10.6 60.6 49 50 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.925 108.5 49.6 -60.5 -44.3 25.3 11.6 56.9 50 51 A D H X S+ 0 0 64 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.871 110.2 50.8 -62.7 -36.5 22.2 9.5 56.1 51 52 A Q H X S+ 0 0 71 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.858 106.8 53.2 -71.3 -32.5 20.3 11.2 59.0 52 53 A E H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.855 104.6 57.1 -67.6 -33.2 21.4 14.7 57.7 53 54 A R H X S+ 0 0 91 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.899 108.5 46.9 -61.2 -39.5 19.9 13.5 54.3 54 55 A E H X S+ 0 0 82 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.838 109.0 52.0 -73.5 -34.3 16.6 12.9 56.2 55 56 A H H X S+ 0 0 24 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.942 112.7 47.6 -64.3 -45.0 16.7 16.3 58.0 56 57 A A H X S+ 0 0 6 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.883 109.0 54.2 -62.1 -39.8 17.2 17.9 54.6 57 58 A K H X S+ 0 0 113 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.923 107.7 48.8 -62.3 -45.9 14.4 15.9 53.1 58 59 A R H < S+ 0 0 113 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.933 115.9 44.5 -59.4 -45.8 11.9 17.0 55.7 59 60 A L H >X S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-0.8 0.926 109.7 55.0 -63.6 -46.7 12.9 20.6 55.2 60 61 A F H >< S+ 0 0 114 -4,-3.2 3,-0.8 1,-0.3 -1,-0.2 0.855 100.5 61.0 -55.8 -38.4 12.9 20.4 51.4 61 62 A K T 3< S+ 0 0 155 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.644 95.7 60.6 -67.7 -15.4 9.3 19.1 51.4 62 63 A F T <4 S+ 0 0 36 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.799 85.7 96.9 -80.0 -29.9 8.0 22.3 53.1 63 64 A L << - 0 0 44 -3,-0.8 3,-0.1 -4,-0.8 -54,-0.0 -0.196 62.3-153.2 -61.7 150.7 9.2 24.4 50.1 64 65 A E - 0 0 99 1,-0.3 -1,-0.1 2,-0.0 -3,-0.1 0.025 47.0 -87.1-117.7 28.4 6.8 25.4 47.4 65 66 A G S S+ 0 0 65 1,-0.2 -1,-0.3 3,-0.0 2,-0.0 0.004 73.5 86.3 93.4 162.4 9.0 25.9 44.3 66 67 A G S S- 0 0 75 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.045 76.0 -70.1 91.8 163.1 11.0 28.6 42.6 67 68 A D - 0 0 174 -2,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.785 47.1-170.6 -94.3 135.0 14.6 29.7 42.9 68 69 A L - 0 0 64 -2,-0.4 2,-0.2 -59,-0.0 -2,-0.0 -0.991 16.8-133.7-130.3 129.9 15.5 31.6 46.1 69 70 A E - 0 0 174 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.571 25.6-173.7 -81.1 142.9 18.7 33.5 46.9 70 71 A I - 0 0 51 -2,-0.2 2,-0.5 -57,-0.1 -59,-0.0 -0.978 17.7-151.2-137.4 149.9 20.4 32.9 50.2 71 72 A V + 0 0 134 -2,-0.3 2,-0.3 2,-0.0 -57,-0.0 -0.984 38.1 134.3-122.4 119.3 23.3 34.4 52.1 72 73 A A - 0 0 47 -2,-0.5 2,-0.4 2,-0.0 -2,-0.1 -0.991 47.8-115.5-160.8 159.4 25.2 32.2 54.5 73 74 A A - 0 0 98 -2,-0.3 -2,-0.0 3,-0.0 -55,-0.0 -0.804 31.9-178.7-102.0 142.2 28.6 31.1 55.7 74 75 A F - 0 0 78 -2,-0.4 2,-0.5 -53,-0.0 -56,-0.0 -0.941 39.2 -85.7-137.7 158.3 29.8 27.5 55.3 75 76 A P - 0 0 70 0, 0.0 2,-1.6 0, 0.0 3,-0.0 -0.505 33.5-152.1 -66.7 116.7 32.9 25.5 56.2 76 77 A A - 0 0 104 -2,-0.5 2,-0.2 2,-0.0 -3,-0.0 -0.613 54.6 -70.1 -89.6 77.4 35.3 25.9 53.3 77 78 A G + 0 0 46 -2,-1.6 -52,-0.0 1,-0.1 2,-0.0 -0.444 50.0 159.7 98.3-179.2 37.0 22.5 53.9 78 79 A I - 0 0 125 -2,-0.2 2,-0.6 -3,-0.0 -1,-0.1 0.702 13.4-175.0-141.9 173.1 38.6 20.5 55.1 79 80 A I + 0 0 93 -51,-0.0 2,-0.2 -47,-0.0 3,-0.1 -0.921 36.2 148.6-105.0 120.8 39.4 16.8 55.5 80 81 A A - 0 0 31 -2,-0.6 2,-0.0 1,-0.3 -48,-0.0 -0.406 53.0 -38.9-127.4-155.2 42.0 16.1 58.1 81 82 A D > - 0 0 86 -2,-0.2 4,-2.4 1,-0.1 -1,-0.3 -0.328 64.8-104.4 -69.3 159.7 42.8 13.2 60.6 82 83 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 119.5 53.6 -56.0 -43.1 39.7 11.6 62.2 83 84 A H H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 112.3 45.4 -57.7 -47.5 40.2 13.2 65.6 84 85 A A H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.888 112.0 51.8 -62.6 -40.0 40.2 16.6 63.9 85 86 A N H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.860 108.6 50.9 -66.2 -35.3 37.2 15.7 61.7 86 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.907 110.7 49.2 -67.6 -41.1 35.2 14.6 64.8 87 88 A I H X S+ 0 0 82 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.926 112.8 46.5 -63.0 -45.7 36.0 17.9 66.5 88 89 A A H X S+ 0 0 55 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.884 112.1 51.3 -64.5 -39.7 35.0 20.0 63.5 89 90 A S H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.905 109.0 50.1 -65.1 -42.1 31.8 18.0 63.1 90 91 A A H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.897 108.4 53.5 -63.2 -39.6 30.8 18.5 66.7 91 92 A A H X S+ 0 0 60 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.902 109.3 49.0 -61.9 -40.4 31.4 22.2 66.3 92 93 A G H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 112.1 47.0 -65.0 -45.7 29.1 22.2 63.3 93 94 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.908 109.8 56.0 -61.8 -41.3 26.4 20.3 65.2 94 95 A H H X S+ 0 0 80 -4,-2.8 4,-2.2 1,-0.2 5,-0.4 0.920 107.2 47.2 -57.4 -48.2 26.9 22.7 68.2 95 96 A H H X>S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 5,-1.9 0.921 112.3 52.5 -60.1 -43.4 26.2 25.8 66.1 96 97 A E H <>S+ 0 0 15 -4,-2.1 5,-2.6 3,-0.2 -2,-0.2 0.891 117.1 33.9 -61.8 -44.4 23.1 24.1 64.6 97 98 A Y H <5S+ 0 0 36 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.738 126.1 39.3 -88.2 -20.1 21.4 23.1 67.8 98 99 A T H <5S+ 0 0 45 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.820 134.8 6.5 -95.0 -34.8 22.5 26.1 70.0 99 100 A E T X5S+ 0 0 110 -4,-2.4 4,-1.9 -5,-0.4 5,-0.2 0.816 123.8 41.9-112.8 -63.9 22.2 28.9 67.4 100 101 A M H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.927 114.0 46.4 -62.3 -40.0 16.5 27.7 67.8 103 104 A S H X S+ 0 0 62 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 113.9 47.4 -64.2 -47.2 16.7 31.0 66.0 104 105 A F H X S+ 0 0 24 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.883 111.8 51.4 -61.2 -40.0 14.9 29.6 63.0 105 106 A A H X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.914 109.1 49.5 -64.1 -44.4 12.2 28.0 65.2 106 107 A R H X S+ 0 0 159 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 112.9 46.9 -61.8 -44.5 11.6 31.3 67.1 107 108 A I H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 109.7 54.3 -65.1 -38.9 11.2 33.2 63.9 108 109 A A H <>S+ 0 0 0 -4,-2.3 5,-3.2 1,-0.2 4,-0.4 0.929 109.9 46.7 -60.6 -44.5 8.9 30.5 62.5 109 110 A R H ><5S+ 0 0 102 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.886 110.6 54.4 -63.9 -37.7 6.7 30.8 65.6 110 111 A E H 3<5S+ 0 0 127 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.5 44.3 -61.4 -45.1 6.8 34.6 65.1 111 112 A E T 3<5S- 0 0 44 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.420 123.2-103.1 -82.3 0.8 5.6 34.4 61.5 112 113 A G T < 5S+ 0 0 41 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.789 79.8 130.2 85.2 28.9 2.9 31.9 62.4 113 114 A Y >< + 0 0 23 -5,-3.2 4,-2.4 1,-0.2 5,-0.2 -0.630 20.5 162.0-113.3 70.5 4.4 28.7 61.2 114 115 A E H > S+ 0 0 108 -2,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.874 71.2 52.2 -57.7 -44.7 4.0 26.5 64.3 115 116 A E H > S+ 0 0 124 1,-0.2 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