==== 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 TRANSCRIPTION REGULATOR 29-JUL-09 3IH2 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.D.KOCLEGA,M.CHRUSZCZ,G.BUJACZ,A.JOACHIMIAK,W.MINOR,MIDWEST . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 80.6 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 . 2 1.0 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 . 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 2 1 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 1 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A H 0 0 242 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.9 26.5 -8.8 9.2 2 1 A X - 0 0 195 1,-0.2 3,-0.1 0, 0.0 6,-0.0 -0.660 360.0 -73.2-112.2 175.2 24.0 -11.7 9.6 3 2 A L - 0 0 98 -2,-0.2 -1,-0.2 1,-0.1 2,-0.0 -0.299 55.8-100.8 -60.4 150.3 20.5 -12.1 8.4 4 3 A S > - 0 0 64 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.349 39.6-104.6 -61.5 160.1 17.8 -10.0 10.2 5 4 A K H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.842 121.8 52.3 -61.0 -33.4 15.8 -12.1 12.7 6 5 A R H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 110.9 46.0 -71.8 -41.2 12.8 -12.3 10.4 7 6 A D H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.845 110.2 54.7 -70.6 -29.8 14.9 -13.6 7.5 8 7 A A H X S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 111.8 45.4 -66.9 -42.7 16.7 -16.1 9.8 9 8 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.890 110.8 51.2 -64.4 -48.6 13.3 -17.4 10.8 10 9 A L H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.830 111.5 50.3 -56.6 -34.9 12.0 -17.5 7.2 11 10 A K H X S+ 0 0 113 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.917 111.8 44.7 -72.4 -48.4 15.1 -19.5 6.2 12 11 A A H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.887 114.0 52.4 -55.9 -45.6 14.7 -22.0 9.0 13 12 A A H X>S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.5 0.955 106.6 51.2 -57.0 -55.2 11.0 -22.3 8.2 14 13 A V H X5S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.916 115.1 45.0 -46.8 -45.4 11.7 -22.9 4.5 15 14 A E H X5S+ 0 0 51 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.885 117.8 40.0 -67.1 -46.0 14.1 -25.7 5.6 16 15 A V H X>S+ 0 0 4 -4,-2.8 4,-2.9 2,-0.2 5,-0.6 0.908 116.6 48.6 -77.5 -39.5 11.9 -27.4 8.3 17 16 A F H X5S+ 0 0 0 -4,-3.3 4,-2.5 -5,-0.3 -2,-0.2 0.964 114.5 47.0 -61.0 -51.3 8.6 -27.1 6.4 18 17 A G H < - 0 0 63 1,-0.1 4,-1.4 -2,-0.0 5,-0.1 -0.895 18.2-136.9-112.7 147.6 7.2 -27.5 15.0 27 26 A T H > S+ 0 0 44 -2,-0.4 4,-2.1 2,-0.2 5,-0.1 0.773 106.2 60.1 -72.7 -26.0 7.8 -23.8 15.5 28 27 A D H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 106.2 47.6 -62.2 -46.3 10.1 -24.7 18.5 29 28 A E H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.822 111.5 49.3 -65.5 -36.2 12.3 -26.6 16.1 30 29 A I H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.831 111.5 50.6 -65.6 -41.4 12.3 -23.8 13.5 31 30 A A H X>S+ 0 0 2 -4,-2.1 5,-2.4 2,-0.2 4,-0.8 0.886 111.1 47.3 -64.4 -42.2 13.2 -21.4 16.4 32 31 A E H <5S+ 0 0 80 -4,-2.5 3,-0.2 2,-0.2 -2,-0.2 0.881 112.8 49.6 -68.3 -37.0 16.1 -23.6 17.5 33 32 A K H <5S+ 0 0 101 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.837 113.4 46.3 -67.1 -34.3 17.2 -23.9 13.8 34 33 A A H <5S- 0 0 21 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.533 111.4-124.8 -83.5 -12.3 17.1 -20.1 13.4 35 34 A G T <5 + 0 0 67 -4,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.942 67.2 126.8 69.2 46.2 18.9 -19.7 16.8 36 35 A V < - 0 0 20 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.953 69.6 -89.7-133.4 148.7 16.2 -17.5 18.3 37 36 A A > - 0 0 68 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 -0.295 39.5-117.5 -53.1 146.1 14.2 -17.6 21.5 38 37 A K T >> S+ 0 0 61 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.925 114.7 61.8 -55.3 -47.7 10.9 -19.7 21.1 39 38 A G H 3> S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.756 87.9 72.1 -38.2 -40.2 9.0 -16.4 21.9 40 39 A L H <> S+ 0 0 51 -3,-1.3 4,-2.0 1,-0.2 5,-0.3 0.726 89.2 58.1 -62.9 -24.0 10.4 -14.6 18.8 41 40 A I H <>>S+ 0 0 6 -3,-1.6 4,-3.7 -4,-0.4 5,-0.5 0.963 107.7 47.4 -71.5 -46.1 8.4 -16.6 16.3 42 41 A F H X5S+ 0 0 156 -4,-0.7 4,-2.6 3,-0.2 -2,-0.2 0.943 110.4 54.6 -52.2 -49.0 5.2 -15.4 18.0 43 42 A H H <5S+ 0 0 134 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.928 122.7 24.7 -53.6 -51.5 6.6 -11.8 18.0 44 43 A Y H <5S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.839 137.2 25.5 -80.1 -39.5 7.2 -11.7 14.2 45 44 A F H <5S- 0 0 5 -4,-3.7 2,-2.9 -5,-0.3 -3,-0.2 0.478 74.6-147.8-116.4 -3.3 4.7 -14.3 13.0 46 45 A K S < S- 0 0 82 -2,-2.9 4,-1.7 -6,-0.1 5,-0.1 -0.912 78.0 -95.5-149.1-179.8 1.2 -18.5 14.6 48 47 A K H > S+ 0 0 52 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.835 120.1 55.1 -72.0 -34.2 2.5 -21.4 12.6 49 48 A E H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 109.3 47.3 -62.2 -45.2 -0.0 -20.9 9.7 50 49 A E H > S+ 0 0 50 2,-0.2 4,-2.6 -5,-0.2 5,-0.2 0.877 109.7 52.1 -64.8 -41.6 1.2 -17.3 9.3 51 50 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.953 112.3 47.3 -57.3 -51.4 4.9 -18.2 9.3 52 51 A Y H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.873 113.3 48.0 -55.1 -46.6 4.1 -20.8 6.6 53 52 A Y H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.898 112.7 46.9 -64.4 -45.0 2.1 -18.3 4.6 54 53 A Q H X S+ 0 0 53 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.901 111.6 51.7 -66.1 -41.0 4.8 -15.5 4.8 55 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.874 110.9 48.4 -63.0 -37.3 7.6 -18.0 3.9 56 55 A Y H X S+ 0 0 19 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.932 113.7 46.3 -67.3 -44.4 5.6 -19.2 0.8 57 56 A X H X S+ 0 0 29 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.894 112.8 51.7 -60.7 -40.6 5.0 -15.5 -0.3 58 57 A S H X S+ 0 0 52 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.918 114.3 40.3 -65.2 -43.2 8.6 -14.7 0.3 59 58 A V H X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 3,-0.2 0.879 115.8 51.5 -72.0 -38.4 10.0 -17.6 -1.8 60 59 A T H X S+ 0 0 27 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.792 104.1 55.6 -74.0 -29.1 7.4 -17.2 -4.5 61 60 A E H X S+ 0 0 76 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.717 105.5 54.6 -72.3 -26.6 8.1 -13.4 -4.9 62 61 A K H X S+ 0 0 89 -4,-0.8 4,-1.9 -3,-0.2 -2,-0.2 0.902 112.0 43.7 -65.6 -46.5 11.7 -14.4 -5.5 63 62 A L H X S+ 0 0 30 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.951 108.9 55.5 -62.5 -52.2 10.4 -16.7 -8.3 64 63 A Q H X S+ 0 0 33 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.815 108.8 50.4 -49.0 -35.0 8.0 -14.1 -9.7 65 64 A K H X S+ 0 0 75 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.906 107.9 49.5 -76.9 -44.5 11.0 -11.8 -10.1 66 65 A E H X S+ 0 0 85 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.934 113.8 51.5 -47.8 -48.8 13.2 -14.3 -11.9 67 66 A F H X S+ 0 0 10 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.882 105.4 50.0 -61.9 -49.4 10.1 -14.8 -14.1 68 67 A E H X S+ 0 0 57 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.888 109.9 54.0 -59.1 -38.8 9.5 -11.1 -14.9 69 68 A N H X S+ 0 0 100 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.938 112.9 42.4 -56.4 -49.4 13.2 -10.9 -15.9 70 69 A F H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.914 116.5 48.1 -65.5 -45.9 12.8 -13.8 -18.2 71 70 A L H X S+ 0 0 5 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.971 106.2 56.1 -51.2 -58.4 9.5 -12.5 -19.6 72 71 A X H < S+ 0 0 132 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 118.2 35.2 -50.7 -34.4 10.7 -9.0 -20.2 73 72 A K H < S+ 0 0 178 -4,-1.3 3,-0.4 -5,-0.2 -1,-0.2 0.893 121.9 40.9 -88.8 -44.1 13.5 -10.3 -22.4 74 73 A N H >< S+ 0 0 16 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.288 75.8 117.7 -95.4 4.4 11.9 -13.3 -24.2 75 74 A R T 3< S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.732 73.0 53.0 -34.0 -41.2 8.5 -11.7 -24.8 76 75 A N T 3 S+ 0 0 157 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.432 87.2 107.4 -88.1 1.2 8.9 -12.0 -28.7 77 76 A R S < S- 0 0 77 -3,-2.2 2,-0.3 1,-0.1 -3,-0.0 -0.238 84.8 -88.4 -77.0 165.8 9.6 -15.6 -28.8 78 77 A D > - 0 0 70 1,-0.1 4,-3.2 4,-0.0 3,-0.3 -0.567 42.4-122.5 -66.7 139.3 7.4 -18.4 -30.1 79 78 A I H > S+ 0 0 2 1,-0.3 4,-2.6 -2,-0.3 -1,-0.1 0.809 111.1 50.0 -62.9 -35.7 5.4 -19.5 -27.0 80 79 A F H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.867 114.5 45.6 -66.7 -42.3 6.5 -23.2 -27.2 81 80 A D H > S+ 0 0 55 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.878 111.6 52.8 -61.6 -45.7 10.2 -22.0 -27.4 82 81 A F H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.945 112.5 45.4 -55.0 -49.6 9.4 -19.6 -24.6 83 82 A X H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.909 110.8 49.0 -65.2 -49.8 8.1 -22.5 -22.5 84 83 A E H X S+ 0 0 25 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 115.6 46.6 -53.0 -44.9 10.8 -25.1 -23.1 85 84 A R H X S+ 0 0 95 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.802 112.3 49.2 -73.9 -32.0 13.4 -22.4 -22.3 86 85 A W H X S+ 0 0 24 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.898 109.4 52.1 -68.7 -39.3 11.5 -21.3 -19.2 87 86 A I H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.910 107.1 52.9 -65.3 -41.1 11.2 -24.9 -18.0 88 87 A E H X S+ 0 0 90 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.924 109.0 50.0 -53.4 -50.0 15.0 -25.5 -18.4 89 88 A K H X S+ 0 0 117 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.853 109.9 50.2 -59.3 -39.8 15.6 -22.4 -16.3 90 89 A K H X S+ 0 0 32 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.858 109.6 51.7 -66.9 -37.4 13.2 -23.7 -13.6 91 90 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.947 110.8 47.3 -59.2 -54.3 15.0 -27.0 -13.6 92 91 A E H X S+ 0 0 50 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.908 112.1 50.6 -56.1 -44.1 18.3 -25.3 -13.1 93 92 A Y H X S+ 0 0 36 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.935 109.6 50.4 -59.9 -47.4 16.8 -23.1 -10.3 94 93 A S H < S+ 0 0 14 -4,-2.5 7,-0.3 1,-0.2 -1,-0.2 0.826 110.8 48.9 -58.0 -37.9 15.4 -26.2 -8.5 95 94 A A H < S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 116.2 42.2 -71.3 -34.8 18.8 -28.0 -8.6 96 95 A S H < S+ 0 0 80 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.632 124.6 38.2 -88.5 -16.7 20.7 -25.0 -7.3 97 96 A H X + 0 0 55 -4,-1.8 4,-1.8 -5,-0.2 3,-0.2 -0.418 67.3 155.6-126.2 57.7 17.9 -24.2 -4.7 98 97 A P H > S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 74,-0.2 0.827 71.0 55.2 -58.1 -36.4 16.8 -27.6 -3.4 99 98 A E H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.945 109.3 47.9 -64.6 -45.7 15.5 -26.5 -0.0 100 99 A E H > S+ 0 0 28 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 113.1 49.7 -55.7 -42.7 13.2 -23.9 -1.7 101 100 A A H X S+ 0 0 7 -4,-1.8 4,-1.6 -7,-0.3 -2,-0.2 0.913 109.6 49.1 -62.5 -48.8 12.0 -26.6 -4.1 102 101 A D H < S+ 0 0 29 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.865 112.9 49.6 -60.6 -33.8 11.3 -29.1 -1.4 103 102 A F H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.922 105.3 55.5 -73.3 -42.9 9.4 -26.4 0.5 104 103 A L H >< S+ 0 0 23 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.852 101.8 58.5 -58.8 -34.6 7.2 -25.3 -2.5 105 104 A I G >< S+ 0 0 21 -4,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.685 88.2 74.4 -75.8 -12.4 5.9 -28.8 -3.0 106 105 A T G X> + 0 0 16 -3,-1.4 3,-1.3 -4,-0.4 4,-0.7 0.561 64.7 97.6 -74.0 -12.0 4.5 -29.0 0.5 107 106 A L G X4 S+ 0 0 24 -3,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.872 79.4 58.9 -47.9 -35.3 1.6 -26.7 -0.5 108 107 A V G <4 S+ 0 0 96 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.861 95.5 59.0 -67.3 -29.3 -0.4 -29.9 -1.0 109 108 A S G <4 S+ 0 0 50 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.718 88.2 96.1 -70.3 -18.5 -0.1 -31.3 2.6 110 109 A V S << S- 0 0 4 -3,-0.7 5,-0.1 -4,-0.7 -89,-0.0 -0.282 89.1 -81.7 -80.0 156.6 -1.7 -28.2 4.3 111 110 A D >> - 0 0 72 1,-0.1 3,-3.2 2,-0.1 4,-2.0 -0.263 43.3-114.4 -56.9 141.6 -5.4 -27.7 5.4 112 111 A E H 3> S+ 0 0 69 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.739 114.4 58.1 -51.8 -34.6 -7.6 -26.7 2.5 113 112 A G H 34 S+ 0 0 50 2,-0.2 -1,-0.3 1,-0.2 4,-0.3 0.429 108.5 43.6 -80.5 -6.8 -8.2 -23.3 4.1 114 113 A L H <> S+ 0 0 0 -3,-3.2 4,-2.1 2,-0.1 -2,-0.2 0.681 114.5 48.6 -97.2 -38.8 -4.5 -22.4 4.2 115 114 A R H X S+ 0 0 67 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.897 111.3 52.4 -64.7 -37.0 -3.8 -23.6 0.7 116 115 A K H X S+ 0 0 120 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.908 107.4 50.8 -62.8 -47.8 -6.8 -21.7 -0.6 117 116 A R H > S+ 0 0 70 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.912 111.2 49.3 -52.4 -50.3 -5.6 -18.5 1.1 118 117 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.909 111.0 49.0 -57.6 -42.0 -2.3 -18.9 -0.6 119 118 A L H X S+ 0 0 65 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.899 110.6 50.3 -71.6 -39.7 -3.8 -19.5 -4.0 120 119 A L H < S+ 0 0 112 -4,-2.5 4,-0.5 2,-0.2 3,-0.3 0.920 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