==== 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 1LKM . COMPND 2 MOLECULE: RUBRERYTHRIN ALL-IRON(III) 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) . 10841.0 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 0 181 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.9 -0.4 29.8 55.3 2 3 A S - 0 0 38 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.287 360.0-145.1 -67.7 153.1 2.0 30.2 52.4 3 4 A L > + 0 0 8 59,-0.2 3,-2.4 5,-0.1 6,-0.4 0.594 54.2 130.8 -92.5 -15.3 5.7 30.6 53.0 4 5 A K T 3 S+ 0 0 131 1,-0.3 3,-0.1 5,-0.1 4,-0.1 -0.087 79.3 3.1 -46.3 129.2 6.3 33.0 50.1 5 6 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.338 100.8 126.7 77.0 -6.8 8.3 36.1 51.0 6 7 A S <> - 0 0 10 -3,-2.4 4,-1.0 1,-0.1 -1,-0.2 -0.357 68.8-126.4 -81.6 162.4 8.7 35.1 54.6 7 8 A R H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.828 111.0 62.5 -73.7 -31.7 12.1 34.9 56.5 8 9 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.851 96.0 58.8 -61.6 -35.5 11.2 31.3 57.4 9 10 A E H > S+ 0 0 25 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.942 110.6 41.3 -60.1 -47.0 11.2 30.4 53.7 10 11 A K H X S+ 0 0 100 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.837 112.3 55.4 -70.2 -32.0 14.8 31.5 53.4 11 12 A N H X S+ 0 0 25 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.899 106.3 51.6 -67.2 -38.7 15.7 30.0 56.7 12 13 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.945 112.3 45.3 -62.2 -47.1 14.4 26.6 55.5 13 14 A L H X S+ 0 0 33 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.889 111.9 52.6 -64.4 -37.7 16.5 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 0.935 111.1 46.4 -62.7 -45.1 19.5 27.9 54.4 15 16 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.910 111.9 51.7 -63.2 -41.8 19.1 24.9 56.7 16 17 A F H X S+ 0 0 51 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.899 110.0 49.3 -61.6 -41.0 18.7 22.7 53.6 17 18 A A H X S+ 0 0 21 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.906 114.3 44.8 -64.9 -43.4 21.9 24.1 52.1 18 19 A G H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.904 113.4 48.7 -68.5 -42.6 23.9 23.5 55.3 19 20 A E H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.853 108.8 55.1 -66.5 -33.9 22.5 20.1 55.9 20 21 A S H X S+ 0 0 44 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.899 110.8 44.6 -65.3 -40.7 23.3 19.1 52.3 21 22 A Q H X S+ 0 0 65 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.889 110.1 55.3 -70.3 -38.6 26.9 20.1 52.8 22 23 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.885 103.1 56.8 -61.2 -38.7 27.1 18.4 56.2 23 24 A R H X S+ 0 0 94 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.945 110.6 43.3 -58.7 -47.8 25.9 15.1 54.5 24 25 A N H X S+ 0 0 81 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.961 113.8 50.3 -62.5 -51.4 28.9 15.3 52.1 25 26 A R H X S+ 0 0 42 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.923 110.8 49.2 -53.4 -48.7 31.4 16.3 54.8 26 27 A Y H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.881 109.7 51.2 -61.4 -38.7 30.3 13.5 57.0 27 28 A N H X S+ 0 0 61 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.920 111.7 47.7 -65.3 -40.3 30.6 10.9 54.2 28 29 A Y H X S+ 0 0 119 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 111.6 49.6 -65.4 -42.0 34.1 12.1 53.4 29 30 A F H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.854 107.1 56.7 -64.2 -33.6 35.1 12.0 57.1 30 31 A G H X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.924 106.4 48.7 -62.6 -43.8 33.7 8.5 57.2 31 32 A G H X S+ 0 0 33 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.895 111.7 49.5 -62.5 -39.7 36.0 7.5 54.4 32 33 A Q H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.882 106.3 55.3 -67.4 -38.2 38.9 9.0 56.2 33 34 A A H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-0.3 0.878 106.0 53.5 -61.5 -35.9 38.0 7.2 59.5 34 35 A K H ><5S+ 0 0 102 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.942 109.6 47.0 -63.0 -47.0 38.2 4.0 57.5 35 36 A K H 3<5S+ 0 0 166 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.838 109.5 54.9 -63.7 -33.3 41.7 4.9 56.3 36 37 A D T 3<5S- 0 0 59 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.436 120.7-108.3 -81.1 0.5 42.6 5.8 59.8 37 38 A G T < 5S+ 0 0 23 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.804 80.3 124.6 79.7 31.2 41.5 2.4 61.1 38 39 A F >< + 0 0 38 -5,-2.7 4,-2.2 1,-0.2 5,-0.1 -0.762 25.3 168.0-123.2 83.3 38.4 3.3 63.0 39 40 A V H > S+ 0 0 9 142,-1.9 4,-2.6 -2,-0.5 5,-0.2 0.916 76.2 49.4 -65.0 -46.8 35.5 1.3 61.5 40 41 A Q H > S+ 0 0 56 141,-0.6 4,-1.9 143,-0.3 -1,-0.2 0.945 114.6 46.4 -58.3 -46.6 32.9 2.0 64.2 41 42 A I H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 109.8 54.6 -62.8 -37.8 33.6 5.7 63.9 42 43 A S H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.925 110.1 46.0 -61.7 -43.7 33.5 5.4 60.1 43 44 A D H X S+ 0 0 51 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.829 109.3 55.8 -69.3 -30.1 30.1 3.9 60.2 44 45 A I H X S+ 0 0 24 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.907 108.0 48.3 -66.5 -42.7 28.9 6.5 62.7 45 46 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.930 112.2 49.3 -62.3 -45.1 30.0 9.2 60.2 46 47 A A H X S+ 0 0 32 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.898 112.0 47.7 -62.0 -42.1 28.1 7.4 57.4 47 48 A E H X S+ 0 0 82 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.907 110.6 51.5 -66.6 -40.9 24.9 7.1 59.6 48 49 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.919 108.1 52.6 -62.4 -40.2 25.1 10.7 60.6 49 50 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.924 109.0 49.9 -59.9 -44.6 25.3 11.7 56.9 50 51 A D H X S+ 0 0 63 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.853 110.3 50.1 -63.0 -35.5 22.3 9.6 56.2 51 52 A Q H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.866 107.1 53.3 -73.1 -33.4 20.4 11.3 59.0 52 53 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.853 104.4 58.0 -66.1 -32.7 21.4 14.7 57.7 53 54 A R H X S+ 0 0 92 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.894 108.1 46.3 -61.5 -39.2 19.9 13.6 54.4 54 55 A E H X S+ 0 0 91 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.856 109.8 51.0 -74.0 -36.8 16.6 13.0 56.2 55 56 A H H X S+ 0 0 27 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.939 112.3 49.7 -63.6 -43.2 16.6 16.3 58.1 56 57 A A H X S+ 0 0 5 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.871 108.2 52.8 -62.1 -38.5 17.3 17.9 54.7 57 58 A K H X S+ 0 0 116 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.923 108.0 49.7 -65.3 -44.4 14.4 16.0 53.1 58 59 A R H < S+ 0 0 111 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.923 115.9 44.2 -59.0 -43.9 11.9 17.1 55.7 59 60 A L H >X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.7 0.926 111.2 53.4 -65.9 -46.0 13.1 20.7 55.2 60 61 A F H >< S+ 0 0 115 -4,-3.1 3,-1.0 1,-0.3 -2,-0.2 0.873 102.1 59.2 -57.4 -40.8 13.1 20.4 51.4 61 62 A K T 3< S+ 0 0 157 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.663 96.8 61.8 -66.7 -15.6 9.5 19.2 51.4 62 63 A F T <4 S+ 0 0 42 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.786 85.5 95.0 -79.1 -27.9 8.2 22.4 53.1 63 64 A L << - 0 0 43 -3,-1.0 3,-0.1 -4,-0.7 -54,-0.0 -0.244 64.0-150.7 -65.3 151.7 9.4 24.5 50.2 64 65 A E - 0 0 101 1,-0.3 -1,-0.1 2,-0.0 -3,-0.1 0.070 47.0 -87.8-115.3 26.0 7.0 25.5 47.4 65 66 A G S S+ 0 0 64 1,-0.2 -1,-0.3 3,-0.0 2,-0.0 -0.040 73.2 85.3 95.7 162.9 9.1 25.9 44.3 66 67 A G S S- 0 0 74 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.007 77.2 -67.4 89.6 162.6 11.2 28.5 42.5 67 68 A D - 0 0 173 -2,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.752 49.0-169.4 -90.8 134.0 14.8 29.7 42.9 68 69 A L - 0 0 66 -2,-0.4 2,-0.3 -59,-0.0 -2,-0.0 -0.986 15.5-135.2-128.7 133.9 15.6 31.5 46.1 69 70 A E - 0 0 167 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.684 25.1-175.9 -87.8 136.5 18.8 33.5 46.9 70 71 A I - 0 0 50 -2,-0.3 2,-0.5 -57,-0.1 -59,-0.0 -0.954 20.1-148.2-132.2 151.5 20.4 33.0 50.3 71 72 A V + 0 0 137 -2,-0.3 2,-0.3 2,-0.0 -57,-0.0 -0.979 40.0 139.5-119.2 116.4 23.4 34.5 52.1 72 73 A A - 0 0 42 -2,-0.5 2,-0.4 2,-0.0 -2,-0.1 -0.996 44.7-123.5-157.7 155.4 25.2 32.2 54.4 73 74 A A + 0 0 98 -2,-0.3 -2,-0.0 3,-0.0 -55,-0.0 -0.808 29.9 178.2-103.1 142.2 28.6 31.0 55.6 74 75 A F - 0 0 74 -2,-0.4 2,-0.5 -53,-0.0 -56,-0.0 -0.929 40.9 -82.8-139.2 161.7 29.8 27.5 55.4 75 76 A P - 0 0 69 0, 0.0 2,-1.6 0, 0.0 3,-0.1 -0.527 34.8-151.7 -68.3 116.5 33.0 25.4 56.3 76 77 A A - 0 0 103 -2,-0.5 2,-0.1 2,-0.0 -3,-0.0 -0.616 54.1 -71.3 -89.3 78.1 35.4 25.9 53.3 77 78 A G + 0 0 47 -2,-1.6 -52,-0.0 1,-0.1 2,-0.0 -0.409 50.5 158.4 95.3-179.4 37.1 22.5 53.9 78 79 A I - 0 0 126 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.1 0.704 14.2-172.1-140.1 174.2 38.7 20.5 55.1 79 80 A I + 0 0 93 -51,-0.0 2,-0.1 -2,-0.0 3,-0.1 -0.918 36.3 150.7-104.9 115.9 39.5 16.8 55.4 80 81 A A - 0 0 32 -2,-0.6 2,-0.1 1,-0.3 -48,-0.0 -0.293 52.7 -41.2-120.8-154.3 42.1 16.1 58.1 81 82 A D > - 0 0 88 -2,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.368 64.6-103.0 -72.3 159.6 42.8 13.3 60.5 82 83 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.847 120.4 53.1 -54.2 -41.1 39.8 11.6 62.2 83 84 A H H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 112.3 45.6 -60.7 -47.0 40.3 13.3 65.5 84 85 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 112.0 52.1 -61.6 -40.7 40.3 16.7 63.8 85 86 A N H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.877 108.4 50.6 -65.1 -37.7 37.3 15.7 61.7 86 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.898 110.5 49.9 -66.7 -39.5 35.3 14.7 64.8 87 88 A I H X S+ 0 0 84 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 112.9 45.5 -64.5 -44.3 36.2 18.0 66.5 88 89 A A H X S+ 0 0 58 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.881 112.8 51.4 -67.1 -37.9 35.1 20.0 63.5 89 90 A S H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.918 108.6 50.3 -65.4 -43.8 31.9 18.0 63.1 90 91 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.896 108.8 52.9 -61.3 -39.5 31.0 18.5 66.7 91 92 A A H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.897 109.4 49.2 -63.0 -39.6 31.5 22.2 66.3 92 93 A G H X S+ 0 0 19 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.925 111.8 47.4 -65.1 -45.3 29.1 22.2 63.3 93 94 A E H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.902 109.4 55.7 -61.9 -40.6 26.5 20.2 65.2 94 95 A H H X S+ 0 0 83 -4,-2.7 4,-2.1 1,-0.2 5,-0.5 0.909 106.7 49.3 -58.6 -45.7 26.9 22.7 68.1 95 96 A H H X>S+ 0 0 105 -4,-2.1 4,-2.3 1,-0.2 5,-1.9 0.927 111.1 51.3 -59.8 -45.3 26.2 25.6 65.9 96 97 A E H <>S+ 0 0 11 -4,-2.0 5,-2.7 3,-0.2 -2,-0.2 0.905 117.6 34.4 -61.1 -46.4 23.1 23.9 64.5 97 98 A Y H <5S+ 0 0 40 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.729 126.4 37.7 -86.9 -19.5 21.4 23.0 67.8 98 99 A T H <5S+ 0 0 45 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.803 135.2 7.6 -97.5 -33.0 22.5 26.1 69.9 99 100 A E T X5S+ 0 0 110 -4,-2.3 4,-2.0 -5,-0.5 5,-0.2 0.814 123.7 41.2-112.3 -67.2 22.3 28.8 67.3 100 101 A M H > S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.919 115.1 46.0 -62.1 -39.8 16.6 27.6 67.8 103 104 A S H X S+ 0 0 58 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 113.8 47.9 -66.4 -44.5 16.8 31.0 66.0 104 105 A F H X S+ 0 0 24 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.886 111.7 51.1 -63.7 -39.1 15.0 29.6 63.0 105 106 A A H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.929 109.1 49.9 -64.5 -44.8 12.3 28.1 65.2 106 107 A R H X S+ 0 0 158 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.902 112.6 47.0 -61.5 -41.3 11.7 31.3 67.1 107 108 A I H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.894 109.6 54.1 -67.5 -39.4 11.4 33.2 63.8 108 109 A A H <>S+ 0 0 0 -4,-2.3 5,-3.3 1,-0.2 4,-0.4 0.923 110.2 47.0 -60.1 -43.9 9.0 30.6 62.5 109 110 A R H ><5S+ 0 0 98 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.915 109.9 53.8 -63.2 -42.6 6.8 31.0 65.5 110 111 A E H 3<5S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.9 45.8 -60.1 -36.2 7.0 34.8 65.1 111 112 A E T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.404 122.5-104.2 -89.3 1.3 5.7 34.5 61.5 112 113 A G T < 5S+ 0 0 32 -3,-1.3 2,-0.8 -4,-0.4 -3,-0.2 0.713 79.3 130.8 86.0 21.2 3.0 32.0 62.4 113 114 A Y >< + 0 0 25 -5,-3.3 4,-2.3 1,-0.2 5,-0.2 -0.640 21.4 161.9-106.3 73.0 4.6 28.8 61.1 114 115 A E H > + 0 0 109 -2,-0.8 4,-2.4 2,-0.2 5,-0.2 0.911 70.0 49.9 -59.3 -49.8 4.0 26.6 64.2 115 116 A E H > S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 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