==== 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 11-SEP-01 1JYB . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR W.R.CHANG,M.LI,M.Y.LIU . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 71.6 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 . 4 2.1 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 . 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 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 2 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 0 183 0, 0.0 111,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.4 -25.0 29.9 5.2 2 3 A S - 0 0 65 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.228 360.0-146.4 -67.9 156.5 -22.7 30.0 2.2 3 4 A L > + 0 0 9 59,-0.1 3,-1.0 5,-0.1 6,-0.4 0.685 58.4 117.5 -91.7 -31.7 -19.0 30.1 2.7 4 5 A K T 3 S+ 0 0 94 1,-0.2 3,-0.1 5,-0.1 -2,-0.1 -0.185 81.9 8.3 -56.2 124.6 -18.1 32.3 -0.3 5 6 A G T 3 S+ 0 0 75 1,-0.3 2,-0.2 2,-0.1 -1,-0.2 0.719 96.9 120.8 81.7 29.9 -16.4 35.6 0.6 6 7 A S S <> S- 0 0 13 -3,-1.0 4,-1.1 1,-0.1 -1,-0.3 -0.673 73.9-118.8-111.5 167.1 -15.9 35.0 4.4 7 8 A R H > S+ 0 0 145 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.847 115.4 59.8 -73.3 -35.0 -12.7 35.0 6.2 8 9 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.909 97.8 59.9 -59.1 -37.7 -13.3 31.3 7.2 9 10 A E H > S+ 0 0 7 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.980 109.4 41.9 -55.7 -52.4 -13.4 30.4 3.5 10 11 A K H X S+ 0 0 105 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.838 113.7 53.3 -65.9 -27.0 -9.8 31.7 3.2 11 12 A N H X S+ 0 0 26 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.906 105.4 52.1 -77.2 -36.6 -8.8 30.0 6.5 12 13 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.956 111.4 48.6 -62.6 -44.9 -10.1 26.6 5.4 13 14 A L H X S+ 0 0 38 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.917 111.5 49.7 -64.5 -39.6 -8.0 26.9 2.2 14 15 A T H X S+ 0 0 27 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.935 112.0 47.3 -64.0 -38.7 -5.0 27.9 4.2 15 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 3,-0.3 0.973 111.1 51.3 -68.1 -46.2 -5.4 25.0 6.6 16 17 A F H X S+ 0 0 52 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.951 111.6 49.2 -54.2 -45.5 -5.8 22.6 3.6 17 18 A A H X S+ 0 0 24 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.829 112.1 46.1 -64.6 -36.4 -2.6 24.0 2.1 18 19 A G H X S+ 0 0 14 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.2 0.906 114.1 48.6 -74.3 -38.3 -0.6 23.6 5.2 19 20 A E H X S+ 0 0 1 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.855 107.2 55.4 -70.8 -35.3 -1.9 20.1 5.8 20 21 A S H X S+ 0 0 43 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.897 110.7 45.2 -64.0 -40.6 -1.1 19.1 2.2 21 22 A Q H X S+ 0 0 64 -4,-1.3 4,-3.0 -5,-0.2 -2,-0.2 0.888 110.7 53.7 -70.1 -35.6 2.5 20.1 2.6 22 23 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.915 103.7 56.6 -65.2 -41.5 2.7 18.4 6.1 23 24 A R H X S+ 0 0 97 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.924 112.2 43.2 -52.3 -43.0 1.5 15.1 4.5 24 25 A N H X S+ 0 0 78 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.972 113.5 48.8 -72.4 -50.5 4.4 15.4 2.1 25 26 A R H X S+ 0 0 46 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.930 110.8 50.7 -56.5 -44.6 7.0 16.4 4.7 26 27 A Y H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.895 110.1 50.9 -64.0 -31.9 6.0 13.6 7.1 27 28 A N H X S+ 0 0 62 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.926 111.8 46.6 -72.3 -33.8 6.2 11.0 4.2 28 29 A Y H X S+ 0 0 116 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.932 113.5 48.2 -68.4 -47.0 9.7 12.3 3.4 29 30 A F H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.873 106.7 59.0 -59.8 -37.8 10.7 12.2 7.1 30 31 A G H X S+ 0 0 5 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.904 106.2 47.6 -57.8 -40.6 9.2 8.7 7.1 31 32 A G H X S+ 0 0 28 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.918 111.4 49.3 -70.3 -41.5 11.7 7.6 4.4 32 33 A Q H X S+ 0 0 48 -4,-2.1 4,-1.6 2,-0.2 50,-0.2 0.891 107.2 54.4 -67.3 -38.1 14.7 9.2 6.2 33 34 A A H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.5 0.877 106.6 53.8 -63.3 -33.7 13.7 7.4 9.6 34 35 A K H ><5S+ 0 0 105 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.944 109.8 46.5 -64.6 -44.1 13.8 4.2 7.7 35 36 A K H 3<5S+ 0 0 158 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.739 107.2 58.3 -71.3 -23.9 17.3 5.0 6.5 36 37 A D H 3<5S- 0 0 62 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.529 121.6-105.3 -79.4 -6.7 18.3 6.0 10.0 37 38 A G T <<5S+ 0 0 25 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.658 85.7 120.7 90.9 20.2 17.4 2.5 11.3 38 39 A F >< + 0 0 40 -5,-2.6 4,-2.4 1,-0.2 5,-0.2 -0.641 26.4 164.6-114.6 78.0 14.1 3.5 13.1 39 40 A V H > S+ 0 0 8 142,-1.3 4,-2.4 -2,-0.5 5,-0.2 0.874 75.2 51.5 -65.9 -40.9 11.3 1.5 11.5 40 41 A Q H > S+ 0 0 55 141,-0.5 4,-1.6 143,-0.3 -1,-0.2 0.935 113.4 45.9 -64.1 -42.1 8.6 2.1 14.1 41 42 A I H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 3,-0.2 0.938 108.9 57.0 -63.3 -45.1 9.2 5.9 13.9 42 43 A S H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.951 110.1 45.5 -49.3 -46.9 9.2 5.6 10.0 43 44 A D H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.819 108.6 54.0 -72.9 -25.7 5.7 4.1 10.2 44 45 A I H X S+ 0 0 22 -4,-1.6 4,-3.3 -3,-0.2 5,-0.2 0.935 108.5 50.5 -72.1 -41.5 4.4 6.7 12.7 45 46 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.966 113.7 45.9 -55.6 -49.8 5.5 9.4 10.3 46 47 A A H X S+ 0 0 31 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.863 112.5 49.2 -65.3 -38.0 3.6 7.6 7.5 47 48 A E H X S+ 0 0 83 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.938 113.3 47.4 -64.6 -47.5 0.6 7.0 9.7 48 49 A T H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.896 108.1 55.1 -60.1 -41.3 0.6 10.8 10.6 49 50 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.978 110.1 48.4 -54.4 -46.3 1.0 11.7 6.9 50 51 A D H X S+ 0 0 66 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.877 108.3 51.3 -62.8 -37.3 -2.1 9.7 6.3 51 52 A Q H X S+ 0 0 69 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.889 106.4 55.8 -71.7 -35.9 -4.0 11.3 9.1 52 53 A E H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.881 101.6 58.5 -62.0 -33.2 -3.0 14.7 7.7 53 54 A R H X S+ 0 0 93 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.903 108.2 47.0 -57.0 -40.8 -4.6 13.6 4.4 54 55 A E H X S+ 0 0 81 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.832 109.1 49.1 -77.9 -30.8 -7.9 13.1 6.3 55 56 A H H X S+ 0 0 28 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.916 113.4 49.7 -69.0 -42.3 -8.0 16.3 8.1 56 57 A A H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.884 108.9 54.3 -64.1 -33.2 -7.3 18.0 4.8 57 58 A K H X S+ 0 0 104 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.914 106.6 48.9 -67.5 -44.2 -10.1 16.0 3.2 58 59 A R H < S+ 0 0 113 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.880 115.4 45.6 -62.4 -37.8 -12.7 17.1 5.7 59 60 A L H >X S+ 0 0 0 -4,-1.6 3,-2.3 2,-0.2 4,-0.6 0.955 110.2 52.2 -65.3 -57.7 -11.7 20.7 5.2 60 61 A F H >< S+ 0 0 114 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.860 98.7 67.0 -51.4 -39.2 -11.6 20.5 1.4 61 62 A K T 3< S+ 0 0 150 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.589 96.5 55.2 -65.9 -8.8 -15.1 19.1 1.4 62 63 A F T <4 S+ 0 0 37 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.637 85.1 98.0 -84.5 -30.2 -16.5 22.4 2.7 63 64 A L << + 0 0 43 -3,-1.6 -54,-0.0 -4,-0.6 -3,-0.0 -0.389 45.0 176.9 -65.5 147.7 -15.0 24.6 -0.1 64 65 A E + 0 0 106 -2,-0.0 -1,-0.1 2,-0.0 2,-0.1 0.449 44.8 58.5-131.0 8.4 -17.4 25.4 -2.9 65 66 A G S S- 0 0 48 1,-0.2 3,-0.1 -62,-0.0 -2,-0.0 -0.058 70.3 -82.3-130.8-153.0 -15.8 27.6 -5.3 66 67 A G S S- 0 0 61 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.512 75.3 -18.3 -97.4-131.9 -13.2 28.6 -7.7 67 68 A D - 0 0 167 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.578 56.5-173.5 -83.7 150.2 -9.8 30.1 -7.3 68 69 A L - 0 0 49 -2,-0.2 2,-0.4 -3,-0.1 0, 0.0 -0.992 20.2-131.7-150.0 129.7 -8.7 31.8 -4.0 69 70 A E - 0 0 167 -2,-0.3 2,-0.4 2,-0.0 -56,-0.1 -0.720 22.6-166.9 -87.2 135.4 -5.6 33.7 -3.1 70 71 A I - 0 0 46 -2,-0.4 2,-0.4 -57,-0.1 -59,-0.0 -0.921 11.7-163.0-117.7 140.8 -3.8 32.7 0.1 71 72 A V + 0 0 143 -2,-0.4 2,-0.3 2,-0.0 -57,-0.0 -0.999 38.2 137.9-119.1 124.8 -1.1 34.8 1.8 72 73 A A - 0 0 42 -2,-0.4 2,-0.4 2,-0.0 -2,-0.1 -0.980 49.4-123.1-166.4 146.0 0.7 32.4 4.3 73 74 A A + 0 0 101 -2,-0.3 -2,-0.0 3,-0.0 0, 0.0 -0.847 31.2 177.5-100.0 139.4 4.1 31.4 5.6 74 75 A F - 0 0 74 -2,-0.4 2,-0.4 -53,-0.0 -56,-0.0 -0.936 40.6 -86.1-131.4 156.5 5.2 27.8 5.3 75 76 A P - 0 0 73 0, 0.0 2,-1.7 0, 0.0 3,-0.0 -0.532 35.0-142.5 -66.6 121.2 8.5 25.9 6.3 76 77 A A - 0 0 110 -2,-0.4 2,-0.2 1,-0.0 -3,-0.0 -0.478 51.5 -89.1 -89.4 55.1 10.8 26.2 3.4 77 78 A G + 0 0 46 -2,-1.7 -1,-0.0 1,-0.1 -52,-0.0 -0.536 49.2 165.9 118.2-154.6 12.1 22.9 3.8 78 79 A I - 0 0 125 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.920 14.0-165.2 73.6 115.2 14.6 20.7 5.2 79 80 A I + 0 0 88 -51,-0.0 -1,-0.2 -47,-0.0 2,-0.1 -0.988 35.1 157.3-104.5 115.5 14.9 17.0 5.5 80 81 A A - 0 0 33 -2,-0.6 2,-0.1 1,-0.3 -48,-0.0 -0.317 49.3 -42.8-118.8-154.7 17.6 16.4 8.1 81 82 A D > - 0 0 89 -2,-0.1 4,-2.1 1,-0.1 -1,-0.3 -0.381 67.2-101.1 -69.7 161.6 18.5 13.5 10.5 82 83 A T H > S+ 0 0 1 -50,-0.2 4,-2.5 1,-0.2 5,-0.2 0.870 119.0 55.3 -58.0 -41.7 15.5 11.8 12.2 83 84 A H H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 111.8 44.0 -54.9 -49.7 15.8 13.6 15.6 84 85 A A H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 112.3 54.1 -63.9 -32.6 15.8 17.1 13.9 85 86 A N H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.915 108.6 48.1 -67.6 -40.1 12.9 15.9 11.8 86 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.9 48.5 -65.9 -39.8 10.9 14.8 14.9 87 88 A I H X S+ 0 0 75 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.882 112.0 48.0 -69.3 -36.8 11.6 18.2 16.6 88 89 A A H X S+ 0 0 61 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.869 112.6 49.4 -75.6 -29.7 10.6 20.2 13.5 89 90 A S H X S+ 0 0 5 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.910 107.8 52.7 -74.8 -39.7 7.4 18.2 13.1 90 91 A A H X S+ 0 0 3 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.916 110.5 50.9 -59.1 -40.4 6.5 18.6 16.9 91 92 A A H X S+ 0 0 58 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.914 109.5 47.0 -61.4 -46.4 6.9 22.4 16.4 92 93 A G H X S+ 0 0 25 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.953 115.2 48.1 -62.5 -45.0 4.7 22.5 13.3 93 94 A E H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.927 109.2 54.6 -56.8 -46.7 2.1 20.4 15.2 94 95 A H H X S+ 0 0 74 -4,-3.0 4,-1.8 1,-0.2 5,-0.3 0.851 106.7 49.1 -56.1 -45.7 2.5 22.8 18.2 95 96 A H H X>S+ 0 0 91 -4,-2.2 4,-2.1 1,-0.2 5,-1.7 0.851 108.7 55.2 -69.0 -36.0 1.7 25.8 16.2 96 97 A E H <>S+ 0 0 15 -4,-1.8 5,-2.4 3,-0.2 -2,-0.2 0.907 114.1 35.4 -63.7 -42.7 -1.4 24.2 14.7 97 98 A Y H <5S+ 0 0 31 -4,-2.0 -1,-0.2 3,-0.1 -2,-0.2 0.759 125.5 39.7 -90.3 -23.1 -3.1 23.3 17.8 98 99 A T H <5S+ 0 0 51 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.882 134.7 5.3 -87.3 -38.1 -2.1 26.3 19.8 99 100 A E T X5S+ 0 0 107 -4,-2.1 4,-2.1 -5,-0.3 5,-0.3 0.855 123.2 43.7-106.9 -65.6 -2.3 29.1 17.3 100 101 A M H > S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.945 113.2 43.8 -50.2 -54.7 -7.8 28.1 17.7 103 104 A S H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.907 114.8 48.2 -60.7 -45.3 -7.8 31.3 15.8 104 105 A F H X S+ 0 0 25 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.896 110.9 50.2 -70.1 -35.0 -9.6 29.7 12.8 105 106 A A H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.864 110.4 52.3 -68.5 -31.2 -12.3 28.1 15.0 106 107 A R H X S+ 0 0 129 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.937 109.5 46.7 -71.8 -45.1 -12.9 31.4 16.7 107 108 A I H X S+ 0 0 22 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.888 109.9 54.5 -62.9 -39.9 -13.3 33.4 13.4 108 109 A A H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 3,-0.4 0.905 108.0 50.2 -60.9 -41.8 -15.7 30.7 12.1 109 110 A R H ><5S+ 0 0 118 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.976 107.8 52.9 -59.0 -52.0 -17.8 31.1 15.2 110 111 A E H 3<5S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.710 111.3 48.7 -52.7 -28.2 -17.9 34.9 14.7 111 112 A E T 3<5S- 0 0 43 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.358 121.7-100.1-100.0 0.8 -19.1 34.4 11.3 112 113 A G T < 5S+ 0 0 55 -3,-2.4 2,-0.6 -4,-0.4 -3,-0.2 0.674 85.4 121.5 93.3 13.6 -21.9 31.9 11.9 113 114 A Y >< + 0 0 17 -5,-3.0 4,-1.8 1,-0.2 3,-0.4 -0.510 22.7 155.6-108.5 66.6 -20.1 28.7 11.0 114 115 A E H > S+ 0 0 88 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.878 70.1 55.7 -61.2 -36.9 -20.4 26.8 14.2 115 116 A E H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.858 110.8 45.1 -66.2 -32.7 -20.1 23.3 12.6 116 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