==== 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 10-SEP-03 1QYB . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR S.JIN,D.M.KURTZ,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) . 10754.0 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 . 6 3.2 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 . 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 0 1 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 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.6 -0.6 29.9 55.6 2 3 A S - 0 0 68 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.179 360.0-142.7 -63.9 160.3 1.9 30.1 52.7 3 4 A L > + 0 0 6 59,-0.1 3,-2.7 5,-0.1 6,-0.5 0.597 55.6 131.3 -98.0 -17.7 5.6 30.6 53.4 4 5 A K T 3 S+ 0 0 102 1,-0.3 3,-0.1 5,-0.1 4,-0.1 -0.047 80.5 1.8 -42.1 127.9 6.2 32.8 50.4 5 6 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.317 101.6 126.9 75.6 -9.2 8.1 36.0 51.4 6 7 A S <> - 0 0 12 -3,-2.7 4,-1.2 1,-0.1 3,-0.3 -0.440 68.8-127.4 -81.3 154.8 8.4 35.0 55.0 7 8 A R H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.845 111.2 62.7 -66.7 -32.0 11.8 34.9 56.8 8 9 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 96.1 58.3 -60.9 -36.0 10.9 31.3 57.8 9 10 A E H > S+ 0 0 13 -6,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.941 110.6 41.6 -60.0 -47.1 10.9 30.3 54.1 10 11 A K H X S+ 0 0 96 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.838 112.4 55.5 -69.9 -31.1 14.5 31.5 53.8 11 12 A N H X S+ 0 0 25 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.891 106.7 50.5 -68.0 -38.1 15.3 29.9 57.1 12 13 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.931 112.5 45.5 -64.5 -45.9 14.0 26.5 56.0 13 14 A L H X S+ 0 0 35 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.904 112.2 52.2 -65.0 -38.2 16.1 26.7 52.8 14 15 A T H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.910 110.9 47.1 -63.2 -41.9 19.1 27.8 54.8 15 16 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.912 111.8 51.5 -64.7 -42.4 18.7 24.9 57.1 16 17 A F H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 109.6 49.4 -60.8 -43.1 18.3 22.6 54.1 17 18 A A H X S+ 0 0 20 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.903 114.6 45.0 -63.9 -40.7 21.5 23.9 52.5 18 19 A G H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.907 112.8 48.7 -70.0 -43.0 23.4 23.4 55.8 19 20 A E H X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.865 109.9 54.8 -64.8 -35.0 22.0 19.9 56.4 20 21 A S H X S+ 0 0 43 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.889 110.0 44.4 -65.3 -42.7 22.9 19.0 52.8 21 22 A Q H X S+ 0 0 66 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.872 110.3 55.9 -70.4 -35.5 26.5 20.0 53.2 22 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.882 102.5 56.4 -63.8 -37.2 26.7 18.3 56.6 23 24 A R H X S+ 0 0 93 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.952 111.4 42.8 -59.6 -47.3 25.5 15.0 54.9 24 25 A N H X S+ 0 0 80 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.953 114.1 50.3 -64.1 -49.4 28.5 15.2 52.5 25 26 A R H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.926 111.2 48.9 -55.8 -46.5 31.0 16.3 55.2 26 27 A Y H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.872 109.5 51.3 -64.1 -36.5 30.0 13.4 57.5 27 28 A N H X S+ 0 0 59 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.902 111.7 48.4 -66.8 -37.1 30.2 10.8 54.7 28 29 A Y H X S+ 0 0 118 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.925 111.5 48.4 -68.0 -42.3 33.7 12.1 53.9 29 30 A F H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.819 107.5 58.1 -65.9 -29.6 34.7 12.0 57.6 30 31 A G H X S+ 0 0 4 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.913 105.9 48.1 -65.5 -41.4 33.3 8.5 57.7 31 32 A G H X S+ 0 0 33 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.875 111.0 50.8 -66.2 -36.8 35.6 7.4 54.9 32 33 A Q H X S+ 0 0 44 -4,-1.9 4,-2.3 1,-0.2 50,-0.2 0.872 105.9 55.3 -68.8 -36.4 38.6 9.0 56.7 33 34 A A H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-0.3 0.881 105.9 53.0 -63.2 -36.9 37.6 7.1 59.9 34 35 A K H ><5S+ 0 0 112 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.951 110.2 47.0 -61.6 -48.7 37.8 3.9 58.0 35 36 A K H 3<5S+ 0 0 165 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.857 109.8 54.2 -61.5 -35.6 41.3 4.8 56.7 36 37 A D T 3<5S- 0 0 59 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.456 121.6-108.1 -79.2 -0.8 42.3 5.7 60.3 37 38 A G T < 5S+ 0 0 22 -3,-1.6 2,-0.5 -4,-0.3 -3,-0.2 0.809 80.2 125.1 80.5 31.8 41.2 2.3 61.5 38 39 A F >< + 0 0 41 -5,-2.9 4,-2.2 1,-0.2 5,-0.1 -0.755 24.7 167.8-123.5 82.3 38.0 3.3 63.4 39 40 A V H > S+ 0 0 11 142,-1.8 4,-2.7 -2,-0.5 5,-0.2 0.906 76.4 49.6 -64.6 -44.6 35.1 1.2 62.0 40 41 A Q H > S+ 0 0 56 141,-0.6 4,-2.0 143,-0.3 -1,-0.2 0.942 114.6 46.0 -60.1 -46.3 32.5 1.9 64.6 41 42 A I H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 110.6 54.0 -63.1 -38.5 33.2 5.7 64.3 42 43 A S H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.935 110.2 46.2 -61.3 -45.5 33.1 5.4 60.5 43 44 A D H X S+ 0 0 52 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.833 110.1 54.6 -67.2 -31.0 29.7 3.7 60.7 44 45 A I H X S+ 0 0 24 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.899 107.6 49.5 -68.4 -41.0 28.5 6.4 63.1 45 46 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 112.2 48.5 -62.7 -43.0 29.5 9.2 60.7 46 47 A A H X S+ 0 0 33 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.880 111.6 49.0 -65.3 -38.6 27.7 7.4 57.9 47 48 A E H X S+ 0 0 82 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.904 110.7 50.2 -67.9 -40.7 24.6 7.0 60.1 48 49 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.908 108.4 53.6 -63.5 -39.7 24.6 10.6 61.1 49 50 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.930 108.6 49.1 -60.1 -44.6 25.0 11.6 57.4 50 51 A D H X S+ 0 0 63 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.865 110.3 50.9 -63.7 -35.0 21.9 9.5 56.6 51 52 A Q H X S+ 0 0 72 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.853 106.5 53.9 -72.5 -31.7 20.0 11.2 59.5 52 53 A E H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.866 103.6 57.6 -66.6 -34.7 21.0 14.6 58.2 53 54 A R H X S+ 0 0 94 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.880 107.9 47.9 -60.2 -37.3 19.5 13.5 54.8 54 55 A E H X S+ 0 0 85 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.841 108.8 50.6 -74.7 -35.2 16.2 13.0 56.7 55 56 A H H X S+ 0 0 23 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.952 113.1 48.7 -63.8 -48.2 16.3 16.3 58.5 56 57 A A H X S+ 0 0 5 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.866 108.8 53.4 -57.8 -39.8 16.8 17.9 55.1 57 58 A K H X S+ 0 0 115 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.920 108.4 48.3 -63.8 -45.6 14.0 15.9 53.6 58 59 A R H < S+ 0 0 114 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.922 116.0 45.1 -60.3 -43.9 11.5 17.0 56.2 59 60 A L H >X S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.2 4,-0.6 0.927 110.7 53.4 -65.5 -46.2 12.6 20.6 55.7 60 61 A F H >< S+ 0 0 115 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.845 100.9 60.3 -57.9 -38.8 12.6 20.3 51.9 61 62 A K T 3< S+ 0 0 159 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.593 96.2 62.3 -69.5 -9.5 9.0 19.1 51.9 62 63 A F T <4 S+ 0 0 38 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.718 84.1 99.1 -85.7 -22.8 7.8 22.3 53.5 63 64 A L << - 0 0 43 -3,-1.1 3,-0.1 -4,-0.6 -54,-0.0 -0.275 62.7-150.2 -68.4 150.8 8.9 24.5 50.6 64 65 A E - 0 0 91 1,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.309 47.4 -99.9-104.9 7.2 6.5 25.7 47.9 65 66 A G + 0 0 46 1,-0.2 -1,-0.3 3,-0.0 2,-0.0 -0.301 69.9 94.1 103.0 172.4 8.8 25.9 44.9 66 67 A G S S- 0 0 73 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.030 77.3 -65.9 85.6 162.6 10.7 28.5 43.0 67 68 A D - 0 0 175 2,-0.0 2,-0.4 -2,-0.0 0, 0.0 -0.729 50.4-169.2 -89.2 135.1 14.2 29.7 43.3 68 69 A L - 0 0 54 -2,-0.4 2,-0.3 -59,-0.0 -2,-0.0 -0.988 15.8-135.6-130.8 131.1 15.2 31.5 46.5 69 70 A E - 0 0 152 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.634 25.2-173.3 -83.7 137.6 18.4 33.4 47.3 70 71 A I - 0 0 51 -2,-0.3 2,-0.5 -57,-0.1 -59,-0.0 -0.925 17.5-152.2-130.3 155.7 20.0 32.8 50.7 71 72 A V + 0 0 135 -2,-0.3 2,-0.3 -61,-0.1 -57,-0.0 -0.963 39.2 129.4-129.6 111.9 22.9 34.4 52.6 72 73 A A - 0 0 47 -2,-0.5 2,-0.4 -58,-0.0 -2,-0.1 -0.990 48.6-116.3-158.7 161.3 24.8 32.2 55.0 73 74 A A + 0 0 97 -2,-0.3 -2,-0.0 3,-0.0 -55,-0.0 -0.817 30.3 178.7-105.2 143.8 28.2 31.0 56.1 74 75 A F - 0 0 74 -2,-0.4 2,-0.5 -53,-0.0 -56,-0.0 -0.929 41.0 -83.0-139.2 161.2 29.4 27.4 55.9 75 76 A P - 0 0 71 0, 0.0 2,-1.6 0, 0.0 3,-0.0 -0.531 33.7-151.4 -68.7 116.6 32.6 25.4 56.7 76 77 A A - 0 0 104 -2,-0.5 2,-0.1 2,-0.0 -3,-0.0 -0.643 55.5 -67.2 -88.5 81.5 34.9 25.8 53.7 77 78 A G + 0 0 46 -2,-1.6 -52,-0.0 1,-0.1 2,-0.0 -0.417 50.7 158.2 95.2-179.4 36.7 22.5 54.3 78 79 A I - 0 0 125 -2,-0.1 2,-0.7 -3,-0.0 -1,-0.1 0.703 13.4-173.9-140.3 172.0 38.3 20.5 55.6 79 80 A I + 0 0 94 -51,-0.0 2,-0.1 -47,-0.0 3,-0.1 -0.913 35.5 152.2-104.6 114.1 39.0 16.8 55.9 80 81 A A - 0 0 32 -2,-0.7 -48,-0.0 1,-0.3 2,-0.0 -0.316 52.0 -43.6-119.2-157.7 41.6 16.1 58.7 81 82 A D > - 0 0 88 -2,-0.1 4,-2.4 1,-0.1 -1,-0.3 -0.314 64.4-102.7 -68.5 161.0 42.4 13.2 61.0 82 83 A T H > S+ 0 0 1 1,-0.2 4,-2.6 -50,-0.2 5,-0.2 0.876 120.0 54.1 -55.9 -43.2 39.4 11.5 62.7 83 84 A H H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 112.2 44.8 -57.8 -47.1 39.9 13.2 66.0 84 85 A A H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 112.0 52.5 -63.3 -40.3 39.9 16.6 64.4 85 86 A N H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 108.7 50.2 -64.0 -38.2 36.9 15.7 62.2 86 87 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.901 111.9 48.4 -66.1 -40.2 34.9 14.6 65.3 87 88 A I H X S+ 0 0 83 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.919 113.3 46.3 -66.0 -43.7 35.7 17.9 67.0 88 89 A A H X S+ 0 0 58 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.874 112.6 51.0 -66.9 -37.3 34.7 20.0 64.0 89 90 A S H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.928 109.6 49.8 -65.8 -44.3 31.5 18.0 63.6 90 91 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.903 108.9 52.7 -60.7 -41.5 30.6 18.5 67.2 91 92 A A H X S+ 0 0 62 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.879 109.9 48.9 -62.7 -37.7 31.2 22.2 66.9 92 93 A G H X S+ 0 0 22 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.908 111.6 47.9 -68.2 -43.4 28.9 22.4 63.9 93 94 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.905 108.9 55.9 -62.4 -42.3 26.2 20.4 65.7 94 95 A H H X S+ 0 0 80 -4,-2.7 4,-2.1 1,-0.2 5,-0.4 0.907 107.2 48.1 -57.3 -45.8 26.6 22.7 68.7 95 96 A H H X>S+ 0 0 89 -4,-1.8 4,-2.3 1,-0.2 5,-1.9 0.908 111.6 51.8 -62.2 -42.6 26.0 25.8 66.6 96 97 A E H <>S+ 0 0 15 -4,-1.9 5,-2.9 3,-0.2 -2,-0.2 0.906 117.2 34.9 -63.1 -45.4 22.9 24.2 65.0 97 98 A Y H <5S+ 0 0 39 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.739 125.3 40.1 -85.9 -20.0 21.1 23.2 68.3 98 99 A T H <5S+ 0 0 51 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.843 134.7 6.0 -94.2 -37.7 22.2 26.2 70.4 99 100 A E T X5S+ 0 0 113 -4,-2.3 4,-1.7 -5,-0.4 -3,-0.2 0.832 124.8 42.5-110.8 -61.8 21.9 29.1 67.9 100 101 A M H > S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.912 113.5 47.5 -62.9 -36.6 16.3 27.8 68.3 103 104 A S H X S+ 0 0 34 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.925 113.5 46.8 -66.2 -45.8 16.4 31.1 66.3 104 105 A F H X S+ 0 0 19 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.884 113.3 48.6 -64.2 -39.0 14.5 29.5 63.4 105 106 A A H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.929 111.8 50.8 -65.4 -44.4 11.9 28.0 65.7 106 107 A R H X S+ 0 0 139 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.936 113.2 43.6 -56.3 -53.3 11.5 31.4 67.5 107 108 A I H X S+ 0 0 19 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.837 111.0 55.9 -64.4 -35.2 11.0 33.2 64.2 108 109 A A H X>S+ 0 0 0 -4,-2.1 5,-2.9 -5,-0.2 4,-0.6 0.961 108.8 46.3 -62.4 -50.8 8.7 30.5 62.9 109 110 A R H ><5S+ 0 0 121 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.891 111.0 54.7 -57.5 -40.5 6.4 30.9 65.9 110 111 A E H 3<5S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 110.2 44.1 -60.8 -43.2 6.6 34.7 65.5 111 112 A E H 3<5S- 0 0 45 -4,-2.2 -1,-0.2 -3,-0.1 -2,-0.2 0.457 124.0-102.3 -83.1 -1.6 5.4 34.5 61.9 112 113 A G T <<5S+ 0 0 39 -3,-0.9 2,-0.9 -4,-0.6 -3,-0.2 0.697 79.6 131.4 91.3 20.3 2.7 32.0 62.8 113 114 A Y >< + 0 0 20 -5,-2.9 4,-2.3 1,-0.2 5,-0.2 -0.670 21.0 163.1-105.4 76.1 4.2 28.8 61.5 114 115 A E H > S+ 0 0 108 -2,-0.9 4,-2.4 2,-0.2 5,-0.2 0.920 70.9 49.6 -60.5 -50.6 3.6 26.6 64.6 115 116 A E H > S+ 0 0 123 1,-0.2 4,-1.6 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