==== 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 25-APR-02 1LKO . COMPND 2 MOLECULE: RUBRERYTHRIN ALL-IRON(II) FORM; . 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) . 10686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 73.7 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 . 8 4.2 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 . 103 54.2 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 0 1 0 0 0 0 1 0 0 0 0 0 0 1 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 0 184 0, 0.0 111,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 169.7 -0.5 29.4 55.3 2 3 A S - 0 0 61 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.272 360.0-149.0 -66.4 150.7 1.9 30.0 52.4 3 4 A L > + 0 0 7 59,-0.2 3,-2.7 5,-0.1 6,-0.5 0.634 51.9 132.5 -92.2 -19.6 5.6 30.5 53.1 4 5 A K T 3 S- 0 0 110 1,-0.3 3,-0.1 5,-0.1 4,-0.1 -0.031 80.5 -0.2 -40.2 122.5 6.2 32.8 50.1 5 6 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.325 100.6 127.5 79.3 -7.9 8.2 35.9 51.0 6 7 A S <> - 0 0 13 -3,-2.7 4,-1.1 1,-0.1 -1,-0.2 -0.339 69.3-123.9 -79.3 162.4 8.5 34.9 54.7 7 8 A R H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.837 112.4 62.1 -71.6 -32.0 11.8 34.8 56.6 8 9 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.867 97.3 56.4 -61.6 -37.2 11.0 31.2 57.4 9 10 A E H > S+ 0 0 13 -6,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.947 110.6 44.3 -59.5 -47.4 11.0 30.3 53.8 10 11 A K H X S+ 0 0 78 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.907 112.3 52.7 -62.8 -42.7 14.6 31.6 53.5 11 12 A N H X S+ 0 0 24 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.880 106.4 53.1 -62.6 -38.4 15.6 29.9 56.7 12 13 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.932 111.6 44.8 -63.2 -44.9 14.3 26.6 55.5 13 14 A L H X S+ 0 0 34 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.896 112.7 52.2 -66.4 -37.5 16.3 26.8 52.3 14 15 A T H X S+ 0 0 22 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.922 111.7 46.3 -62.9 -43.1 19.3 27.9 54.3 15 16 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.914 111.0 52.9 -65.2 -42.0 18.9 24.9 56.6 16 17 A F H X S+ 0 0 49 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.907 108.4 50.5 -59.6 -42.5 18.5 22.7 53.6 17 18 A A H X S+ 0 0 19 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.927 113.9 43.9 -62.0 -45.4 21.8 24.0 52.1 18 19 A G H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 112.3 51.9 -66.5 -42.6 23.6 23.4 55.3 19 20 A E H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.915 109.3 51.8 -59.0 -44.3 22.1 19.9 55.8 20 21 A S H X S+ 0 0 46 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.892 110.9 45.8 -60.9 -44.0 23.1 19.0 52.3 21 22 A Q H X S+ 0 0 65 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.874 109.4 56.0 -68.9 -35.9 26.7 20.0 52.8 22 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.900 103.1 55.9 -62.3 -40.6 26.9 18.2 56.2 23 24 A R H X S+ 0 0 96 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.938 111.2 42.9 -57.3 -48.4 25.8 15.0 54.5 24 25 A N H X S+ 0 0 80 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.959 113.9 50.6 -63.3 -51.1 28.7 15.2 52.0 25 26 A R H X S+ 0 0 45 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.911 110.9 49.2 -54.3 -46.1 31.2 16.2 54.7 26 27 A Y H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.868 108.9 51.9 -64.6 -36.3 30.2 13.4 57.0 27 28 A N H X S+ 0 0 60 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.914 111.4 48.0 -66.7 -38.8 30.5 10.8 54.2 28 29 A Y H X S+ 0 0 119 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.921 111.5 49.3 -65.9 -42.8 34.0 12.0 53.4 29 30 A F H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.837 107.0 57.1 -64.0 -32.5 35.0 11.9 57.1 30 31 A G H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.918 106.3 49.0 -63.7 -42.2 33.5 8.4 57.2 31 32 A G H X S+ 0 0 34 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.897 111.6 48.9 -63.6 -40.1 35.9 7.4 54.4 32 33 A Q H X S+ 0 0 43 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.884 106.8 55.7 -67.3 -38.0 38.8 9.0 56.3 33 34 A A H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 -1,-0.2 0.862 106.0 52.4 -62.2 -34.9 37.8 7.2 59.5 34 35 A K H ><5S+ 0 0 96 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.933 109.5 48.7 -65.7 -44.6 38.0 3.9 57.5 35 36 A K H 3<5S+ 0 0 167 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.836 108.8 54.0 -64.1 -32.5 41.5 4.8 56.4 36 37 A D T 3<5S- 0 0 60 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.421 121.5-107.3 -82.6 1.7 42.5 5.7 59.9 37 38 A G T < 5S+ 0 0 22 -3,-1.5 2,-0.5 -4,-0.2 -3,-0.2 0.811 80.8 125.0 79.5 31.2 41.4 2.3 61.2 38 39 A F >< + 0 0 39 -5,-2.8 4,-2.4 1,-0.2 5,-0.1 -0.733 24.4 166.9-123.2 81.7 38.2 3.3 63.0 39 40 A V H > S+ 0 0 8 142,-1.8 4,-2.7 -2,-0.5 5,-0.2 0.912 76.2 49.6 -64.2 -46.2 35.4 1.2 61.5 40 41 A Q H > S+ 0 0 56 141,-0.6 4,-1.8 143,-0.3 -1,-0.2 0.941 114.9 46.1 -58.9 -45.4 32.7 1.9 64.2 41 42 A I H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 110.1 54.5 -63.9 -39.0 33.4 5.6 63.8 42 43 A S H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.936 110.1 45.8 -59.8 -46.1 33.4 5.3 60.0 43 44 A D H X S+ 0 0 54 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.808 109.6 55.6 -67.9 -28.9 29.9 3.7 60.1 44 45 A I H X S+ 0 0 25 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.907 107.1 49.2 -68.9 -41.9 28.7 6.4 62.6 45 46 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.917 112.7 48.5 -62.1 -42.4 29.8 9.1 60.2 46 47 A A H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.913 112.4 47.5 -64.6 -43.0 27.9 7.3 57.4 47 48 A E H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.914 111.4 50.9 -64.8 -42.5 24.8 6.9 59.6 48 49 A T H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.915 108.3 52.7 -61.6 -41.4 24.9 10.5 60.6 49 50 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.921 108.2 50.8 -59.3 -43.8 25.2 11.6 57.0 50 51 A D H X S+ 0 0 62 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.859 109.5 50.7 -62.9 -35.3 22.1 9.5 56.2 51 52 A Q H X S+ 0 0 71 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.855 106.5 53.2 -72.5 -33.0 20.2 11.2 59.0 52 53 A E H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.851 103.6 59.4 -67.4 -31.6 21.2 14.6 57.7 53 54 A R H X S+ 0 0 93 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.904 107.2 46.2 -60.1 -40.1 19.7 13.5 54.4 54 55 A E H X S+ 0 0 92 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.831 108.9 52.6 -73.4 -34.4 16.4 13.0 56.2 55 56 A H H X S+ 0 0 23 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.948 112.0 48.5 -63.3 -46.4 16.6 16.3 58.0 56 57 A A H X S+ 0 0 6 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.883 108.6 53.2 -60.1 -40.2 17.1 17.9 54.6 57 58 A K H X S+ 0 0 119 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.933 107.9 49.3 -63.8 -45.4 14.2 15.9 53.1 58 59 A R H X S+ 0 0 111 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.921 115.9 44.2 -58.6 -44.7 11.7 17.1 55.7 59 60 A L H >X S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 4,-0.8 0.935 110.4 54.3 -65.2 -47.1 12.8 20.7 55.1 60 61 A F H >< S+ 0 0 118 -4,-3.1 3,-0.9 1,-0.3 -1,-0.2 0.867 102.0 59.3 -55.4 -39.6 12.8 20.3 51.4 61 62 A K H 3< S+ 0 0 155 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.662 96.7 61.1 -67.5 -16.8 9.2 19.1 51.4 62 63 A F H << S+ 0 0 35 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.786 84.5 99.7 -79.0 -28.1 8.0 22.3 53.1 63 64 A L << - 0 0 43 -3,-0.9 3,-0.1 -4,-0.8 -54,-0.0 -0.198 62.4-151.0 -62.1 150.1 9.1 24.5 50.2 64 65 A E - 0 0 87 1,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.310 48.0 -93.8-106.3 6.7 6.6 25.7 47.6 65 66 A G S S+ 0 0 45 1,-0.2 -1,-0.3 3,-0.0 2,-0.0 -0.289 71.4 89.8 107.2 167.6 8.8 26.0 44.5 66 67 A G S S- 0 0 73 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.2 -0.018 77.1 -68.6 88.7 163.8 10.9 28.6 42.6 67 68 A D - 0 0 174 -2,-0.0 2,-0.4 2,-0.0 -1,-0.0 -0.824 50.4-168.8 -95.1 126.3 14.5 29.7 42.9 68 69 A L - 0 0 54 -2,-0.5 2,-0.3 -59,-0.1 -2,-0.0 -0.945 15.9-133.4-120.3 136.0 15.4 31.5 46.1 69 70 A E - 0 0 152 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.677 25.7-174.9 -87.2 136.7 18.5 33.4 46.9 70 71 A I - 0 0 51 -2,-0.3 2,-0.5 -57,-0.1 -59,-0.0 -0.942 18.5-149.5-131.0 153.1 20.2 32.8 50.3 71 72 A V + 0 0 134 -2,-0.3 2,-0.3 2,-0.0 -57,-0.0 -0.975 38.5 138.2-123.6 114.4 23.2 34.4 52.1 72 73 A A - 0 0 45 -2,-0.5 2,-0.4 -55,-0.0 -2,-0.1 -0.995 45.6-121.8-155.9 157.1 25.0 32.1 54.4 73 74 A A - 0 0 100 -2,-0.3 -2,-0.0 3,-0.0 0, 0.0 -0.829 30.3-179.2-103.0 139.9 28.5 31.0 55.6 74 75 A F - 0 0 76 -2,-0.4 2,-0.5 -53,-0.0 -56,-0.0 -0.927 39.0 -86.9-135.8 158.7 29.7 27.4 55.3 75 76 A P - 0 0 72 0, 0.0 2,-1.6 0, 0.0 3,-0.0 -0.533 33.6-150.2 -68.8 116.4 32.9 25.5 56.2 76 77 A A - 0 0 103 -2,-0.5 2,-0.1 2,-0.0 -3,-0.0 -0.647 54.3 -68.8 -88.1 82.3 35.3 25.8 53.3 77 78 A G + 0 0 45 -2,-1.6 -52,-0.0 1,-0.1 2,-0.0 -0.396 49.9 159.5 93.8-179.0 37.0 22.4 53.8 78 79 A I - 0 0 126 -2,-0.1 2,-0.6 -3,-0.0 -1,-0.1 0.696 13.3-174.4-140.4 173.7 38.6 20.5 55.1 79 80 A I + 0 0 95 -51,-0.0 2,-0.2 -2,-0.0 3,-0.1 -0.924 35.8 149.2-105.3 119.7 39.4 16.7 55.4 80 81 A A - 0 0 31 -2,-0.6 -48,-0.0 1,-0.3 5,-0.0 -0.403 53.0 -40.3-126.7-156.4 41.9 16.0 58.1 81 82 A D > - 0 0 86 -2,-0.2 4,-2.4 1,-0.1 -1,-0.3 -0.281 64.9-103.5 -68.0 162.5 42.7 13.2 60.6 82 83 A T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.873 119.4 53.3 -59.1 -41.6 39.7 11.5 62.2 83 84 A H H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.964 112.5 45.7 -58.5 -49.1 40.1 13.2 65.6 84 85 A A H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.889 112.0 51.9 -60.0 -40.0 40.1 16.6 63.9 85 86 A N H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.879 109.0 49.9 -65.4 -37.9 37.1 15.6 61.7 86 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.908 111.6 48.8 -66.7 -41.3 35.1 14.6 64.8 87 88 A I H X S+ 0 0 76 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.933 113.1 46.3 -63.7 -46.2 36.0 17.9 66.5 88 89 A A H X S+ 0 0 57 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.899 113.0 50.2 -63.3 -41.2 35.0 19.9 63.5 89 90 A S H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 109.0 51.1 -63.5 -44.4 31.8 17.9 63.0 90 91 A A H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.891 107.5 54.3 -59.9 -39.3 30.8 18.4 66.7 91 92 A A H X S+ 0 0 61 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.879 108.5 48.7 -63.2 -38.2 31.4 22.1 66.3 92 93 A G H X S+ 0 0 27 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.908 111.4 48.8 -67.8 -42.8 29.0 22.2 63.4 93 94 A E H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.926 108.9 55.6 -60.7 -44.8 26.4 20.3 65.3 94 95 A H H X S+ 0 0 83 -4,-2.8 4,-2.2 1,-0.2 5,-0.4 0.902 106.7 47.9 -55.9 -47.1 26.8 22.6 68.2 95 96 A H H X>S+ 0 0 108 -4,-1.9 4,-2.3 1,-0.2 5,-2.1 0.926 111.7 52.6 -62.0 -42.4 26.1 25.7 66.1 96 97 A E H <>S+ 0 0 18 -4,-2.0 5,-2.5 3,-0.2 -2,-0.2 0.915 117.1 34.1 -60.6 -47.1 23.0 24.0 64.7 97 98 A Y H <5S+ 0 0 39 -4,-2.5 -1,-0.2 3,-0.1 -2,-0.2 0.729 126.0 39.0 -86.3 -18.6 21.4 23.1 68.0 98 99 A T H <5S+ 0 0 47 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.790 135.2 3.9 -97.6 -31.2 22.5 26.0 70.1 99 100 A E T X5S+ 0 0 108 -4,-2.3 4,-1.7 -5,-0.4 -3,-0.2 0.772 122.9 43.6-118.9 -62.3 22.1 28.9 67.6 100 101 A M H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.916 114.1 46.0 -63.6 -36.1 16.5 27.5 67.9 103 104 A S H X S+ 0 0 56 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.922 112.9 48.3 -68.7 -44.6 16.6 30.9 66.1 104 105 A F H X S+ 0 0 23 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 112.0 50.9 -62.7 -38.4 14.8 29.5 63.0 105 106 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.919 109.6 49.2 -65.2 -44.2 12.2 27.9 65.3 106 107 A R H X S+ 0 0 160 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.910 112.6 47.4 -62.8 -42.9 11.6 31.2 67.1 107 108 A I H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.895 110.7 53.0 -65.7 -38.4 11.2 33.1 63.9 108 109 A A H X>S+ 0 0 0 -4,-2.2 5,-3.2 2,-0.2 4,-0.5 0.929 109.9 47.3 -62.4 -44.9 8.9 30.4 62.5 109 110 A R H ><5S+ 0 0 90 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.906 111.1 52.7 -62.3 -41.2 6.7 30.7 65.6 110 111 A E H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 110.3 46.7 -63.1 -36.9 6.7 34.5 65.3 111 112 A E H 3<5S- 0 0 43 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.471 123.4-103.4 -85.4 -2.0 5.6 34.3 61.7 112 113 A G T <<5S+ 0 0 42 -3,-0.9 2,-0.8 -4,-0.5 -3,-0.2 0.684 80.8 129.3 91.3 18.8 2.8 31.8 62.5 113 114 A Y >< + 0 0 21 -5,-3.2 4,-2.3 -6,-0.2 5,-0.2 -0.639 21.6 162.0-106.0 73.2 4.4 28.6 61.2 114 115 A E H > S+ 0 0 109 -2,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.864 70.9 50.8 -60.2 -43.3 4.0 26.4 64.3 115 116 A E H > S+ 0 0 118 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