==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/INHIBITOR 24-FEB-12 4DW6 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ETHR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.FLIPO,N.WILLAND,N.LECAT-GUILLET,C.HOUNSOU,M.DESROSES,F.LER . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 80.9 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 . 0 0.0 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 1 0 0 0 0 1 0 1 0 2 0 0 0 1 0 0 1 0 0 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 . 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 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 24 A D > 0 0 154 0, 0.0 4,-1.4 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -18.5 59.3 -15.8 -9.2 2 25 A R H > + 0 0 123 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.783 360.0 51.3 -59.0 -37.4 60.6 -19.2 -10.0 3 26 A E H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.933 107.0 48.0 -59.0 -47.4 57.3 -19.5 -8.0 4 27 A L H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.869 109.6 54.1 -63.6 -35.8 55.5 -17.2 -10.4 5 28 A A H X S+ 0 0 33 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.879 109.2 47.5 -63.2 -39.3 56.9 -19.2 -13.3 6 29 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 112.6 49.1 -69.6 -47.3 55.5 -22.4 -11.9 7 30 A L H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.940 113.1 47.5 -54.2 -50.4 52.1 -20.7 -11.2 8 31 A A H X S+ 0 0 52 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.893 112.6 49.3 -61.9 -39.8 51.9 -19.2 -14.8 9 32 A T H X S+ 0 0 20 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.910 110.2 49.4 -68.1 -44.4 52.9 -22.6 -16.4 10 33 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.940 111.3 49.5 -60.9 -47.8 50.3 -24.5 -14.4 11 34 A E H X S+ 0 0 41 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.953 113.0 48.8 -56.7 -44.3 47.6 -21.9 -15.4 12 35 A N H >X S+ 0 0 96 -4,-2.7 3,-0.7 1,-0.2 4,-0.7 0.936 112.0 46.8 -60.9 -41.4 48.7 -22.3 -19.1 13 36 A L H >X S+ 0 0 31 -4,-2.8 4,-1.8 1,-0.2 3,-1.4 0.904 103.4 62.0 -70.6 -36.6 48.7 -26.0 -19.0 14 37 A L H 3< S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.729 93.3 65.9 -58.9 -26.5 45.2 -26.1 -17.3 15 38 A E H << S+ 0 0 114 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.870 110.7 36.5 -55.0 -38.9 43.9 -24.4 -20.5 16 39 A D H << S- 0 0 119 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.1 0.813 128.5 -7.1 -83.6 -38.2 44.8 -27.7 -22.4 17 40 A R S < S- 0 0 73 -4,-1.8 -1,-0.2 2,-0.0 5,-0.0 -0.981 76.4 -77.0-160.2 162.2 44.0 -30.4 -19.9 18 41 A P > - 0 0 81 0, 0.0 3,-1.5 0, 0.0 -3,-0.0 -0.115 46.6-105.8 -63.3 162.2 43.0 -31.4 -16.4 19 42 A L G > S+ 0 0 27 1,-0.3 3,-2.7 2,-0.2 26,-0.0 0.902 119.2 60.1 -56.2 -47.0 45.3 -31.3 -13.4 20 43 A A G 3 S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.0 25,-0.0 0.592 103.2 52.3 -64.8 -9.0 45.6 -35.2 -13.4 21 44 A D G < S+ 0 0 103 -3,-1.5 2,-0.5 2,-0.1 -1,-0.3 0.187 96.8 83.6-102.2 9.9 47.0 -35.0 -16.9 22 45 A I < - 0 0 2 -3,-2.7 2,-0.3 4,-0.0 23,-0.1 -0.969 68.7-157.1-112.3 129.5 49.6 -32.5 -15.8 23 46 A S > - 0 0 48 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.699 29.3-117.4 -98.2 154.7 52.7 -34.0 -14.2 24 47 A V H > S+ 0 0 13 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.918 121.2 56.1 -50.0 -41.3 55.2 -32.3 -11.7 25 48 A D H > S+ 0 0 85 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.902 104.3 53.5 -62.8 -40.0 57.8 -32.8 -14.5 26 49 A D H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.933 111.7 43.7 -49.7 -56.4 55.4 -30.9 -16.8 27 50 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.939 115.6 48.3 -60.4 -45.5 55.2 -27.9 -14.4 28 51 A A H X>S+ 0 0 3 -4,-3.1 5,-2.1 2,-0.2 4,-0.9 0.942 111.9 49.8 -59.3 -50.0 59.0 -28.0 -13.8 29 52 A K H ><5S+ 0 0 175 -4,-3.4 3,-1.9 -5,-0.3 -2,-0.2 0.982 111.9 47.0 -57.6 -53.3 59.7 -28.2 -17.5 30 53 A G H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 111.9 51.1 -56.8 -34.5 57.5 -25.2 -18.3 31 54 A A H 3<5S- 0 0 17 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.536 113.1-117.0 -85.2 -5.7 58.9 -23.1 -15.4 32 55 A G T <<5S+ 0 0 67 -3,-1.9 2,-0.3 -4,-0.9 -3,-0.2 0.861 77.2 105.6 79.6 34.5 62.5 -23.8 -16.6 33 56 A I S - 0 0 56 -2,-0.3 4,-2.2 -3,-0.1 5,-0.1 -0.420 36.2-108.9 -81.8 165.2 64.3 -29.2 -12.3 35 58 A R H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.955 119.0 47.5 -54.0 -52.3 61.9 -31.4 -10.5 36 59 A P H > S+ 0 0 100 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.868 110.3 55.1 -64.2 -30.2 63.6 -31.3 -7.1 37 60 A T H >> S+ 0 0 37 2,-0.2 4,-0.8 1,-0.2 3,-0.7 0.924 104.4 53.9 -61.4 -39.5 63.7 -27.6 -7.5 38 61 A F H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-1.4 0.936 103.6 56.9 -51.9 -50.5 59.9 -27.6 -8.1 39 62 A Y H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.697 95.7 64.8 -64.2 -15.4 59.5 -29.5 -4.7 40 63 A F H << S+ 0 0 163 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.880 111.9 32.2 -68.2 -38.7 61.3 -26.7 -3.0 41 64 A Y H << S+ 0 0 64 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.1 0.798 128.9 28.6 -84.6 -36.5 58.4 -24.2 -3.9 42 65 A F < - 0 0 9 -4,-2.4 -1,-0.3 1,-0.1 3,-0.1 -0.992 58.9-146.8-135.9 136.6 55.5 -26.6 -3.8 43 66 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.714 85.0 -19.1 -63.8 -24.9 54.7 -29.9 -2.0 44 67 A S S > S- 0 0 34 -6,-0.1 4,-1.3 1,-0.1 3,-0.4 -0.970 70.5 -91.0-171.9 167.3 52.7 -31.2 -5.0 45 68 A K H > S+ 0 0 39 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.866 124.3 58.3 -60.1 -31.3 50.8 -30.2 -8.2 46 69 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.836 100.9 54.6 -67.0 -35.1 47.7 -30.0 -6.0 47 70 A A H > S+ 0 0 19 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.867 105.1 53.5 -68.0 -32.6 49.4 -27.4 -3.9 48 71 A V H X S+ 0 0 1 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.942 109.4 48.0 -65.7 -48.4 50.1 -25.3 -7.1 49 72 A L H X S+ 0 0 4 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.927 109.5 54.3 -57.9 -45.3 46.3 -25.4 -8.0 50 73 A L H X S+ 0 0 33 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.863 109.4 47.0 -53.3 -38.4 45.4 -24.4 -4.5 51 74 A T H X S+ 0 0 40 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.916 112.1 48.9 -74.3 -41.5 47.6 -21.4 -4.7 52 75 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 114.3 47.0 -60.4 -46.0 46.3 -20.4 -8.2 53 76 A L H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 5,-0.4 0.947 109.2 54.5 -63.2 -47.6 42.7 -20.7 -6.8 54 77 A D H X S+ 0 0 67 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.885 109.8 46.5 -50.7 -43.1 43.6 -18.7 -3.7 55 78 A R H X S+ 0 0 123 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.902 113.1 49.4 -69.9 -39.3 44.9 -15.8 -5.8 56 79 A V H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.962 113.4 45.1 -63.8 -47.7 41.8 -15.9 -8.1 57 80 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.916 113.5 50.7 -68.8 -38.9 39.3 -15.9 -5.2 58 81 A N H X S+ 0 0 45 -4,-2.0 4,-2.8 -5,-0.4 5,-0.3 0.878 106.5 55.2 -65.6 -33.0 41.2 -13.2 -3.4 59 82 A Q H X S+ 0 0 86 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 110.4 44.1 -62.0 -44.8 41.2 -11.1 -6.5 60 83 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.927 115.0 51.7 -59.3 -47.2 37.3 -11.3 -6.8 61 84 A D H X S+ 0 0 9 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.937 110.4 45.1 -59.8 -45.8 37.2 -10.6 -3.0 62 85 A M H X S+ 0 0 111 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.921 113.5 52.3 -64.7 -40.5 39.4 -7.5 -3.1 63 86 A A H X S+ 0 0 36 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.918 109.4 47.8 -61.7 -40.9 37.5 -6.2 -6.2 64 87 A L H X S+ 0 0 22 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.937 109.7 53.8 -67.3 -39.7 34.1 -6.6 -4.4 65 88 A Q H X S+ 0 0 88 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.944 107.0 53.0 -54.3 -46.3 35.6 -4.8 -1.3 66 89 A T H < S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 110.5 45.5 -54.3 -47.9 36.6 -1.9 -3.6 67 90 A L H >< S+ 0 0 59 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.914 109.3 57.0 -60.2 -44.3 33.1 -1.6 -5.0 68 91 A A H 3< S+ 0 0 38 -4,-2.5 2,-1.0 1,-0.3 -2,-0.2 0.811 93.8 66.7 -59.5 -39.9 31.6 -1.9 -1.4 69 92 A E T 3< 0 0 141 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 -0.141 360.0 360.0 -79.1 38.9 33.6 1.2 -0.1 70 93 A N < 0 0 170 -2,-1.0 -1,-0.3 -3,-0.6 -2,-0.1 0.120 360.0 360.0-147.8 360.0 31.6 3.6 -2.4 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 97 A T 0 0 143 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.7 23.6 4.4 -9.9 73 98 A D > - 0 0 100 1,-0.1 4,-2.1 4,-0.0 0, 0.0 -0.155 360.0-103.7 -58.9 160.3 20.1 2.6 -9.8 74 99 A R H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.888 119.8 54.0 -60.0 -39.3 19.6 -0.6 -7.7 75 100 A E H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.952 111.3 46.0 -62.4 -46.4 19.7 -2.9 -10.8 76 101 A N H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 107.0 58.4 -65.1 -34.0 23.0 -1.4 -11.9 77 102 A M H X S+ 0 0 73 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.928 111.0 40.8 -59.0 -48.6 24.4 -1.7 -8.4 78 103 A W H X S+ 0 0 17 -4,-2.0 4,-3.3 1,-0.2 5,-0.3 0.907 112.6 56.0 -69.2 -39.4 23.8 -5.5 -8.3 79 104 A R H X S+ 0 0 52 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.931 106.5 49.6 -57.2 -44.5 25.0 -5.9 -11.9 80 105 A T H X S+ 0 0 54 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.890 114.3 46.1 -66.3 -35.3 28.3 -4.2 -11.1 81 106 A G H >X S+ 0 0 12 -4,-1.6 4,-0.9 -5,-0.2 3,-0.9 0.938 113.1 46.1 -72.6 -47.1 28.9 -6.5 -8.1 82 107 A I H >X S+ 0 0 6 -4,-3.3 4,-2.2 1,-0.2 3,-0.8 0.911 106.4 63.4 -59.3 -36.2 27.9 -9.7 -9.9 83 108 A N H 3X S+ 0 0 53 -4,-2.6 4,-2.8 -5,-0.3 5,-0.4 0.780 89.9 65.8 -58.3 -29.5 30.1 -8.6 -12.8 84 109 A V H S+ 0 0 26 -4,-0.9 4,-2.7 -3,-0.8 5,-0.7 0.932 114.2 50.6 -73.6 -44.2 32.6 -12.5 -10.3 86 111 A F H X5S+ 0 0 28 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.929 118.3 38.2 -57.9 -48.8 31.8 -12.9 -13.9 87 112 A E H X5S+ 0 0 97 -4,-2.8 4,-1.6 3,-0.2 -2,-0.2 0.910 119.0 47.5 -70.1 -40.6 35.0 -11.0 -15.1 88 113 A T H <5S+ 0 0 10 -4,-2.4 3,-0.4 -5,-0.4 4,-0.2 0.971 123.0 31.2 -70.9 -52.6 37.3 -12.3 -12.4 89 114 A F H ><5S+ 0 0 14 -4,-2.7 3,-1.4 -5,-0.3 7,-0.3 0.855 118.0 59.6 -72.8 -33.0 36.4 -16.0 -12.8 90 115 A G H 3< + 0 0 39 -3,-1.4 4,-2.4 -4,-0.2 -1,-0.2 -0.409 69.5 147.9-138.0 54.5 40.6 -17.5 -15.2 93 118 A K H > S+ 0 0 61 -3,-0.5 4,-3.5 2,-0.2 5,-0.2 0.883 71.3 52.1 -58.5 -46.2 38.3 -20.2 -16.6 94 119 A A H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 114.4 43.4 -60.8 -44.5 40.8 -23.0 -16.5 95 120 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.902 115.0 51.0 -66.6 -40.2 41.7 -22.3 -12.8 96 121 A T H X S+ 0 0 1 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.966 112.3 44.9 -57.6 -58.3 38.0 -21.9 -12.1 97 122 A R H X S+ 0 0 92 -4,-3.5 4,-2.8 1,-0.2 -2,-0.2 0.931 116.6 46.7 -53.4 -50.4 37.0 -25.2 -13.7 98 123 A A H X S+ 0 0 16 -4,-2.6 4,-3.2 -5,-0.2 -2,-0.2 0.927 113.1 47.4 -63.5 -43.6 39.9 -27.0 -12.0 99 124 A G H X S+ 0 0 0 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.866 109.9 55.4 -66.2 -34.3 39.2 -25.5 -8.5 100 125 A Q H >< S+ 0 0 46 -4,-2.3 3,-1.1 -5,-0.2 4,-0.4 0.979 113.1 41.8 -51.8 -61.5 35.5 -26.5 -9.1 101 126 A A H >X S+ 0 0 64 -4,-2.8 3,-1.8 1,-0.2 4,-0.7 0.912 108.6 58.4 -58.4 -47.0 36.6 -30.1 -9.7 102 127 A A H 3X S+ 0 0 9 -4,-3.2 4,-3.5 1,-0.3 8,-0.4 0.643 82.8 82.1 -65.8 -14.7 39.2 -30.2 -6.8 103 128 A R H << S+ 0 0 87 -3,-1.1 -1,-0.3 -4,-0.8 7,-0.2 0.839 99.2 42.6 -55.8 -35.3 36.6 -29.3 -4.2 104 129 A A H <4 S+ 0 0 97 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.958 119.5 42.8 -67.4 -58.0 35.8 -33.1 -4.3 105 130 A T H < S+ 0 0 112 -4,-0.7 2,-0.4 1,-0.1 -2,-0.2 0.747 116.0 48.8 -50.8 -39.5 39.5 -34.1 -4.4 106 131 A S X - 0 0 23 -4,-3.5 4,-3.4 1,-0.1 5,-0.2 -0.930 51.1-162.8-135.8 114.8 40.7 -31.7 -1.7 107 132 A V H > S+ 0 0 103 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.850 101.8 52.5 -57.6 -34.4 39.7 -30.7 1.8 108 133 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 109.7 45.9 -72.1 -40.7 41.9 -27.6 1.4 109 134 A V H > S+ 0 0 3 -7,-0.3 4,-2.5 2,-0.2 5,-0.3 0.961 113.5 52.5 -63.5 -48.9 40.3 -26.5 -1.9 110 135 A A H X S+ 0 0 32 -4,-3.4 4,-2.5 -8,-0.4 -2,-0.2 0.893 111.3 45.3 -50.8 -45.0 36.8 -27.2 -0.2 111 136 A E H X S+ 0 0 121 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.886 111.0 51.6 -74.6 -31.9 37.6 -25.1 2.8 112 137 A L H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.973 114.2 44.5 -63.0 -52.3 39.0 -22.1 0.8 113 138 A W H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.969 114.5 50.0 -55.9 -52.3 35.9 -22.1 -1.5 114 139 A S H X S+ 0 0 51 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.904 108.8 50.9 -54.1 -49.0 33.6 -22.5 1.6 115 140 A T H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.918 114.1 44.0 -57.5 -46.0 35.3 -19.6 3.5 116 141 A F H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.898 111.6 52.1 -70.1 -39.9 35.0 -17.2 0.6 117 142 A M H X S+ 0 0 17 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.919 110.3 50.2 -60.5 -43.5 31.3 -18.2 -0.3 118 143 A Q H X S+ 0 0 118 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.939 111.0 49.3 -58.5 -43.2 30.4 -17.6 3.4 119 144 A K H X S+ 0 0 92 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.928 113.4 45.1 -60.5 -44.7 32.1 -14.2 3.3 120 145 A W H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.888 113.8 49.5 -71.7 -33.5 30.2 -13.2 -0.0 121 146 A I H X S+ 0 0 15 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.929 110.0 50.7 -62.9 -47.7 26.9 -14.5 1.3 122 147 A A H X S+ 0 0 48 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.943 113.0 47.6 -61.3 -43.8 27.3 -12.5 4.6 123 148 A Y H X S+ 0 0 93 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.956 111.1 48.7 -62.9 -44.4 28.1 -9.4 2.5 124 149 A T H X S+ 0 0 11 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 111.8 50.7 -56.8 -44.9 25.1 -9.9 0.1 125 150 A A H X S+ 0 0 7 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.901 108.0 53.2 -61.1 -42.3 22.8 -10.4 3.2 126 151 A A H X S+ 0 0 53 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.912 111.1 46.3 -59.1 -38.5 24.2 -7.1 4.9 127 152 A V H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.933 111.6 50.5 -73.5 -43.2 23.3 -5.1 1.7 128 153 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.948 111.1 49.4 -55.6 -50.9 19.9 -6.7 1.5 129 154 A D H X S+ 0 0 63 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.933 110.3 50.5 -52.4 -48.3 19.3 -5.8 5.1 130 155 A A H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 6,-0.2 0.897 110.2 49.8 -55.0 -44.6 20.5 -2.2 4.5 131 156 A E H <>S+ 0 0 11 -4,-2.5 5,-2.0 1,-0.2 6,-1.8 0.847 113.0 47.0 -63.5 -34.2 18.1 -2.0 1.5 132 157 A R H ><5S+ 0 0 16 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.902 109.7 53.1 -75.6 -40.3 15.3 -3.3 3.7 133 158 A D H 3<5S+ 0 0 117 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 110.3 48.8 -62.9 -35.1 16.3 -0.8 6.6 134 159 A R T 3<5S- 0 0 156 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.459 116.5-115.1 -82.8 4.4 16.0 2.1 4.1 135 160 A G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.585 87.2 112.8 77.7 9.5 12.7 1.0 2.8 136 161 A A S - 0 0 69 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.369 45.0-127.2 -49.9 130.9 15.3 -14.0 5.7 143 168 A A H > S+ 0 0 6 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.844 104.5 52.4 -63.8 -35.1 18.1 -12.1 4.0 144 169 A H H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.842 110.0 46.6 -72.0 -35.9 20.8 -14.6 4.8 145 170 A E H > S+ 0 0 128 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.913 113.6 48.5 -68.8 -45.3 18.9 -17.6 3.3 146 171 A L H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.925 113.1 50.3 -56.7 -46.9 17.9 -15.5 0.1 147 172 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.886 107.5 52.7 -58.8 -44.9 21.7 -14.5 -0.1 148 173 A T H X S+ 0 0 46 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.960 112.2 44.6 -59.3 -51.6 22.9 -18.2 0.2 149 174 A A H X S+ 0 0 61 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 114.4 49.2 -61.0 -41.2 20.6 -19.4 -2.7 150 175 A L H X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.895 113.4 46.8 -64.3 -43.9 21.5 -16.4 -5.0 151 176 A N H X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.890 112.7 48.0 -66.3 -38.3 25.1 -16.9 -4.4 152 177 A L H X S+ 0 0 87 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.836 109.2 55.5 -68.2 -37.3 24.9 -20.7 -5.0 153 178 A M H X S+ 0 0 41 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.940 109.4 47.1 -59.1 -43.9 22.9 -20.0 -8.2 154 179 A N H X S+ 0 0 13 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.927 110.3 51.2 -65.7 -43.7 25.7 -17.8 -9.4 155 180 A E H X S+ 0 0 42 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.952 117.4 38.5 -52.8 -56.7 28.4 -20.3 -8.6 156 181 A R H X S+ 0 0 126 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.894 118.5 47.1 -68.2 -38.8 26.7 -23.2 -10.4 157 182 A T H X S+ 0 0 33 -4,-2.9 4,-2.5 -5,-0.3 12,-0.3 0.924 114.5 46.0 -75.7 -42.9 25.4 -21.2 -13.4 158 183 A L H X S+ 0 0 9 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.917 112.3 51.4 -63.8 -41.8 28.7 -19.4 -14.0 159 184 A F H X S+ 0 0 11 -4,-2.4 4,-2.1 -5,-0.4 6,-0.3 0.932 111.6 47.8 -57.8 -45.4 30.6 -22.6 -13.7 160 185 A A H X>S+ 0 0 6 -4,-2.4 5,-2.2 1,-0.2 4,-0.5 0.922 114.6 44.9 -60.8 -46.2 28.2 -24.2 -16.3 161 186 A S H ><5S+ 0 0 9 -4,-2.5 3,-0.8 1,-0.2 10,-0.3 0.903 114.3 48.4 -63.8 -43.2 28.5 -21.3 -18.7 162 187 A F H 3<5S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 112.7 48.1 -70.7 -32.6 32.2 -21.1 -18.4 163 188 A A H 3<5S- 0 0 35 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.480 109.0-121.8 -80.8 -4.0 32.6 -24.9 -18.9 164 189 A G T <<5 + 0 0 60 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.766 51.1 176.6 66.2 25.9 30.3 -24.9 -21.9 165 190 A E < - 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