==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 25-SEP-00 1FX7 . COMPND 2 MOLECULE: IRON-DEPENDENT REPRESSOR IDER; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.D.FEESE,B.P.INGASON,J.GORANSON-SIEKIERKE,R.K.HOLMES, . 890 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 71.8 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 . 120 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 . 44 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 3.6 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 11 0 0 1 6 4 3 2 0 4 2 2 0 0 0 0 0 0 0 4 0 0 0 0 0 0 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 . 4 4 10 4 6 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 . 4 0 0 0 4 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 1 A M 0 0 104 0, 0.0 2,-0.5 0, 0.0 236,-0.1 0.000 360.0 360.0 360.0-174.7 6.3 57.8 13.8 2 2 A N > - 0 0 70 234,-0.4 3,-1.5 3,-0.2 231,-0.0 -0.586 360.0-145.6 -65.5 118.0 8.4 56.9 10.7 3 3 A E T 3 S+ 0 0 183 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.816 100.1 53.3 -64.1 -25.4 5.7 56.0 8.2 4 4 A L T 3 S- 0 0 33 1,-0.1 2,-2.6 30,-0.1 -1,-0.3 0.569 94.6-150.7 -80.2 -13.9 8.0 53.4 6.7 5 5 A V S < S+ 0 0 2 -3,-1.5 228,-0.4 231,-0.1 2,-0.4 -0.276 83.8 25.9 72.4 -57.6 8.6 51.9 10.2 6 6 A D S > S- 0 0 14 -2,-2.6 4,-2.0 1,-0.1 5,-0.2 -0.889 71.2-169.2-136.4 101.8 12.1 50.7 9.3 7 7 A T H > S+ 0 0 29 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.904 86.1 50.7 -61.4 -46.8 13.7 52.8 6.5 8 8 A T H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 110.5 51.2 -58.6 -42.3 16.7 50.5 5.9 9 9 A E H > S+ 0 0 46 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.906 107.9 51.6 -66.7 -33.2 14.4 47.5 5.5 10 10 A M H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.889 109.0 51.6 -70.4 -29.9 12.1 49.3 3.0 11 11 A Y H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.962 111.8 46.7 -65.3 -49.5 15.2 50.2 0.9 12 12 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.952 115.8 44.1 -60.4 -53.7 16.3 46.5 1.0 13 13 A R H X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.814 108.6 57.8 -67.4 -29.2 12.8 45.2 0.1 14 14 A T H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.916 107.8 47.1 -66.2 -39.3 12.2 47.9 -2.6 15 15 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.930 113.4 49.2 -65.3 -40.8 15.4 46.7 -4.5 16 16 A Y H X S+ 0 0 33 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 110.2 50.9 -63.8 -41.9 14.2 43.1 -4.1 17 17 A D H X S+ 0 0 6 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.941 108.2 52.0 -56.5 -47.8 10.7 44.1 -5.4 18 18 A L H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.6 0.888 109.1 50.6 -60.3 -37.2 12.4 45.8 -8.4 19 19 A E H ><5S+ 0 0 58 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.924 108.0 52.0 -69.0 -39.3 14.3 42.6 -9.1 20 20 A E H 3<5S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 108.5 52.7 -63.5 -30.5 11.0 40.6 -8.9 21 21 A E H 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.640 111.9-122.2 -78.4 -12.2 9.5 43.0 -11.5 22 22 A G T <<5S+ 0 0 46 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.810 71.2 124.7 74.5 27.2 12.5 42.5 -13.9 23 23 A V S > - 0 0 51 -2,-0.4 4,-1.7 35,-0.2 3,-0.6 -0.989 47.1-122.5-132.6 151.9 17.6 52.5 -9.3 27 27 A R H 3> S+ 0 0 54 33,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.875 112.8 59.2 -57.0 -43.5 17.9 55.3 -6.6 28 28 A A H 3> S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.883 104.5 49.8 -54.9 -40.0 15.2 57.3 -8.6 29 29 A R H <> S+ 0 0 94 -3,-0.6 4,-2.5 2,-0.2 5,-0.3 0.895 110.0 50.4 -69.3 -36.0 12.7 54.4 -8.2 30 30 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 6,-0.3 0.945 109.8 51.0 -63.5 -44.6 13.4 54.2 -4.5 31 31 A A H X>S+ 0 0 15 -4,-2.6 5,-2.1 1,-0.2 4,-0.6 0.933 114.0 44.0 -56.7 -47.6 12.8 58.0 -4.1 32 32 A E H <5S+ 0 0 152 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.922 118.4 41.4 -66.2 -47.9 9.5 57.8 -5.9 33 33 A R H <5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 122.7 38.5 -72.8 -37.4 8.1 54.7 -4.2 34 34 A L H <5S- 0 0 16 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.446 107.7-124.2 -93.3 1.7 9.3 55.6 -0.7 35 35 A D T <5 + 0 0 149 -4,-0.6 2,-0.3 -5,-0.3 -3,-0.2 0.909 61.4 139.9 62.3 42.6 8.5 59.3 -1.2 36 36 A Q < - 0 0 49 -5,-2.1 -1,-0.2 -6,-0.3 -2,-0.1 -0.857 54.3-104.5-115.9 156.9 12.0 60.5 -0.3 37 37 A S > - 0 0 63 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.314 33.3-108.5 -74.4 161.1 14.0 63.3 -1.9 38 38 A G H > S+ 0 0 46 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.945 119.6 46.8 -51.4 -55.8 16.9 62.6 -4.2 39 39 A P H > S+ 0 0 96 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.969 109.0 55.2 -54.2 -55.2 19.5 63.7 -1.7 40 40 A T H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.870 113.9 39.8 -48.1 -48.5 17.9 61.7 1.1 41 41 A V H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 3,-0.3 0.909 113.1 55.6 -73.1 -33.6 18.0 58.4 -0.8 42 42 A S H X S+ 0 0 55 -4,-3.0 4,-1.9 -5,-0.3 -2,-0.2 0.909 112.2 44.0 -59.3 -42.6 21.5 59.3 -2.2 43 43 A Q H X S+ 0 0 152 -4,-3.1 4,-1.1 -5,-0.2 -1,-0.3 0.718 114.4 48.7 -72.5 -27.2 22.7 59.7 1.5 44 44 A T H X S+ 0 0 14 -4,-1.2 4,-2.6 -5,-0.3 5,-0.2 0.876 110.2 51.9 -80.9 -36.5 20.9 56.5 2.6 45 45 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.944 109.2 49.0 -61.8 -48.7 22.3 54.5 -0.2 46 46 A S H X S+ 0 0 51 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.926 112.1 49.1 -58.3 -44.3 25.9 55.5 0.5 47 47 A R H X S+ 0 0 87 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.905 113.2 46.2 -61.8 -43.1 25.4 54.7 4.2 48 48 A M H <>S+ 0 0 0 -4,-2.6 5,-3.2 2,-0.2 6,-0.9 0.810 111.7 52.8 -71.1 -25.4 24.0 51.3 3.3 49 49 A E H ><5S+ 0 0 74 -4,-2.3 3,-1.3 4,-0.2 -2,-0.2 0.910 111.2 45.5 -74.8 -39.4 26.8 50.8 0.8 50 50 A R H 3<5S+ 0 0 183 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.835 109.4 56.2 -73.8 -27.0 29.4 51.6 3.6 51 51 A D T 3<5S- 0 0 81 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.359 118.9-115.6 -81.6 4.9 27.4 49.3 5.9 52 52 A G T < 5S+ 0 0 30 -3,-1.3 16,-0.4 2,-0.2 15,-0.3 0.749 83.4 118.1 70.2 28.2 27.9 46.5 3.3 53 53 A L S - 0 0 9 4,-3.0 3,-2.0 -2,-0.6 -1,-0.0 -0.274 25.6 -98.2 -73.6 171.2 27.3 49.4 -9.8 58 58 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.924 125.6 49.4 -56.9 -44.9 29.4 51.1 -12.5 59 59 A D T 3 S- 0 0 116 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.198 122.7-104.6 -78.5 16.0 26.2 51.8 -14.6 60 60 A R S < S+ 0 0 165 -3,-2.0 -33,-0.4 1,-0.2 -2,-0.1 0.174 76.1 135.7 85.1 -18.2 24.4 53.3 -11.5 61 61 A H - 0 0 38 -5,-0.1 -4,-3.0 -35,-0.1 2,-0.4 -0.246 56.1-117.4 -63.8 151.6 22.1 50.3 -10.8 62 62 A L E -A 56 0A 0 -37,-2.5 2,-0.4 -6,-0.2 -6,-0.2 -0.776 29.5-171.2 -96.1 133.1 21.7 49.1 -7.2 63 63 A E E -A 55 0A 56 -8,-2.4 -8,-2.7 -2,-0.4 2,-0.3 -0.972 20.5-129.1-123.5 137.5 22.9 45.6 -6.2 64 64 A L E -A 54 0A 9 -2,-0.4 -10,-0.3 -10,-0.2 -11,-0.1 -0.719 23.0-132.9 -79.5 138.7 22.2 43.9 -2.9 65 65 A T > - 0 0 37 -12,-1.7 4,-2.4 -2,-0.3 5,-0.2 -0.275 33.5 -99.0 -78.0-179.0 25.4 42.4 -1.3 66 66 A E H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 128.7 49.6 -66.2 -37.5 25.0 38.9 -0.0 67 67 A K H > S+ 0 0 130 -15,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.934 112.4 46.9 -62.9 -46.8 24.5 40.3 3.5 68 68 A G H > S+ 0 0 0 -16,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.866 109.4 53.6 -67.0 -38.9 21.8 42.7 2.2 69 69 A R H X S+ 0 0 60 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.944 106.0 52.1 -66.4 -45.0 20.0 40.0 0.2 70 70 A A H X S+ 0 0 63 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.902 112.8 46.6 -59.0 -38.7 19.7 37.8 3.2 71 71 A L H X S+ 0 0 79 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.938 112.3 49.6 -67.0 -43.1 18.2 40.8 5.1 72 72 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.894 109.6 52.1 -62.4 -40.0 15.8 41.6 2.2 73 73 A I H X S+ 0 0 39 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.916 107.6 51.9 -62.6 -43.3 14.7 38.0 2.0 74 74 A A H X S+ 0 0 21 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.902 110.0 48.7 -62.2 -41.4 13.8 37.9 5.7 75 75 A V H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.955 113.6 46.5 -63.1 -47.1 11.7 41.1 5.4 76 76 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.897 110.0 53.0 -63.7 -39.6 9.8 39.7 2.4 77 77 A R H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.945 112.4 45.7 -60.5 -47.6 9.3 36.3 4.1 78 78 A K H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.902 111.8 52.9 -61.4 -42.8 7.8 38.2 7.1 79 79 A H H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.948 112.7 42.4 -56.5 -50.9 5.7 40.3 4.7 80 80 A R H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.857 113.5 50.5 -74.1 -27.1 4.2 37.3 2.9 81 81 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.843 110.2 52.1 -73.8 -33.8 3.6 35.3 6.1 82 82 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.943 108.2 51.2 -66.0 -42.3 1.8 38.3 7.6 83 83 A E H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.907 110.4 48.6 -59.7 -44.3 -0.3 38.6 4.4 84 84 A R H X S+ 0 0 46 -4,-1.9 4,-2.8 1,-0.2 5,-0.5 0.894 112.9 47.9 -62.2 -43.5 -1.3 34.9 4.8 85 85 A L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-1.6 0.905 110.9 51.3 -61.6 -44.8 -2.1 35.4 8.5 86 86 A L H <>S+ 0 0 0 -4,-3.0 6,-2.0 3,-0.2 5,-1.1 0.905 120.1 34.4 -63.6 -40.4 -4.2 38.5 7.7 87 87 A V H <5S+ 0 0 40 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.935 124.6 37.3 -78.0 -54.3 -6.3 36.7 5.0 88 88 A D H <5S+ 0 0 82 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.883 133.5 16.3 -71.6 -40.0 -6.6 33.1 6.3 89 89 A V T <5S+ 0 0 38 -4,-1.6 -3,-0.2 -5,-0.5 -4,-0.1 0.859 131.4 36.6-101.9 -50.1 -6.9 33.8 10.1 90 90 A I T > - 0 0 47 0, 0.0 3,-1.2 0, 0.0 4,-0.9 -0.063 36.0-121.8 -44.8 140.9 -10.1 42.2 3.1 94 94 A W H >> S+ 0 0 35 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.910 111.0 54.2 -57.0 -41.3 -7.6 40.9 0.5 95 95 A E H 34 S+ 0 0 26 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.688 109.8 47.7 -70.6 -10.7 -7.0 44.4 -1.0 96 96 A E H <> S+ 0 0 73 -3,-1.2 4,-1.4 1,-0.1 -1,-0.2 0.567 89.6 81.1-103.6 -12.3 -6.1 45.8 2.5 97 97 A V H S+ 0 0 56 -4,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.905 115.8 48.0 -63.8 -38.4 -0.5 47.9 3.4 100 100 A E H >X S+ 0 0 9 -4,-1.4 4,-2.6 1,-0.2 3,-1.4 0.971 112.9 47.6 -62.5 -50.8 -0.9 46.3 6.8 101 101 A A H 3X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.3 -2,-0.2 0.828 100.6 66.1 -63.3 -27.4 1.8 43.7 6.1 102 102 A C H 3< S+ 0 0 29 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.784 111.2 37.0 -65.6 -25.9 4.1 46.5 4.9 103 103 A R H X< S+ 0 0 71 -3,-1.4 3,-1.5 -4,-0.8 -2,-0.2 0.860 116.3 52.1 -85.4 -44.9 4.1 47.7 8.5 104 104 A W H >X S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.3 4,-1.2 0.845 94.3 71.3 -65.3 -29.2 4.0 44.2 10.1 105 105 A E T 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -26,-0.2 0.691 96.5 53.3 -59.2 -22.8 7.0 42.9 8.2 106 106 A H T <4 S+ 0 0 14 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.461 115.0 35.9 -91.0 -7.5 9.3 45.2 10.2 107 107 A V T <4 S+ 0 0 4 -3,-2.1 2,-0.4 -4,-0.2 -2,-0.2 0.399 85.5 108.7-125.1 -1.8 8.3 44.1 13.7 108 108 A M < - 0 0 6 -4,-1.2 2,-0.1 226,-0.1 -30,-0.1 -0.670 60.4-138.1 -78.7 131.0 7.6 40.3 13.4 109 109 A S > - 0 0 26 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.438 19.9-117.8 -83.0 163.8 10.2 38.1 15.1 110 110 A E H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.876 116.2 64.4 -65.3 -29.7 11.5 34.9 13.5 111 111 A D H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.950 104.4 44.1 -57.3 -45.4 9.9 33.2 16.5 112 112 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.910 111.2 53.4 -66.4 -40.5 6.5 34.3 15.3 113 113 A E H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.917 106.3 53.4 -57.6 -44.0 7.3 33.3 11.7 114 114 A R H X S+ 0 0 104 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.933 111.6 45.4 -58.4 -42.6 8.3 29.8 12.9 115 115 A R H X S+ 0 0 83 -4,-1.9 4,-2.8 -5,-0.2 3,-0.4 0.922 110.1 56.2 -65.4 -41.5 4.9 29.5 14.6 116 116 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.853 98.0 59.0 -63.7 -37.6 3.1 30.9 11.6 117 117 A V H <>S+ 0 0 7 -4,-2.4 5,-3.0 2,-0.2 -1,-0.2 0.907 114.5 38.8 -57.6 -37.0 4.5 28.3 9.2 118 118 A K H ><5S+ 0 0 128 -4,-1.0 3,-1.8 -3,-0.4 -2,-0.2 0.948 117.3 47.8 -75.1 -50.7 2.8 25.6 11.4 119 119 A V H 3<5S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.868 112.4 49.7 -60.4 -35.3 -0.4 27.5 12.2 120 120 A L T 3<5S- 0 0 14 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.367 119.1-109.9 -87.1 9.6 -0.9 28.4 8.5 121 121 A N T < 5S- 0 0 135 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.932 71.4 -51.2 64.9 50.8 -0.4 24.7 7.4 122 122 A N S - 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0 0 48 0, 0.0 3,-2.3 0, 0.0 4,-1.0 -0.007 34.8-117.2 -43.8 138.1 9.9 116.1 44.0 769 94 D W G >4 S+ 0 0 41 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.821 112.7 49.3 -43.9 -48.1 6.9 118.0 42.6 770 95 D E G 34 S+ 0 0 29 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.550 109.2 51.9 -75.7 -8.8 8.1 117.8 39.0 771 96 D E G <> S+ 0 0 69 -3,-2.3 4,-1.4 2,-0.1 -1,-0.2 0.501 87.9 83.0-104.4 -9.4 8.7 114.0 39.1 772 97 D V H S+ 0 0 19 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.931 105.7 48.2 -59.9 -50.9 3.4 113.0 37.2 774 99 D A H > S+ 0 0 45 -4,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.920 115.4 45.6 -60.2 -42.9 5.6 110.4 35.4 775 100 D E H >X S+ 0 0 6 -4,-1.4 4,-2.4 1,-0.2 3,-1.3 0.942 114.0 48.9 -62.6 -46.3 5.5 108.1 38.4 776 101 D A H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.825 100.1 64.6 -68.3 -27.0 1.7 108.5 38.8 777 102 D C H 3< S+ 0 0 28 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.778 111.2 39.0 -68.4 -22.3 1.1 107.8 35.1 778 103 D R H X< S+ 0 0 72 -3,-1.3 3,-1.4 -4,-0.7 4,-0.2 0.872 114.8 50.7 -89.2 -44.7 2.5 104.3 35.8 779 104 D W H >X S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 4,-1.4 0.811 94.2 73.1 -66.3 -26.6 0.9 103.8 39.2 780 105 D E T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -27,-0.2 0.692 95.9 53.4 -59.7 -23.8 -2.7 104.8 38.0 781 106 D H T <4 S+ 0 0 13 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.540 115.6 35.7 -87.4 -8.4 -2.8 101.4 36.1 782 107 D V T <4 S+ 0 0 4 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.490 85.8 105.4-122.6 -6.3 -2.0 99.2 39.1 783 108 D M < - 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