==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 07-SEP-11 3TP3 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ETHR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR XAVIER CARETTE . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 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 . 1 0.5 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 67.0 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 1 0 0 0 0 1 0 2 0 0 0 1 0 0 0 1 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 22 A G > 0 0 63 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -44.6 -1.3 77.5 11.4 2 23 A D H > + 0 0 96 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.798 360.0 58.2 -62.0 -29.2 1.8 75.5 10.7 3 24 A D H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 107.1 45.2 -66.1 -45.3 1.0 75.6 6.9 4 25 A R H > S+ 0 0 119 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.890 113.0 51.2 -66.2 -42.6 0.9 79.4 6.7 5 26 A E H X S+ 0 0 53 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.938 110.4 49.9 -56.2 -47.5 4.2 79.6 8.7 6 27 A L H X S+ 0 0 74 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.878 110.6 49.6 -58.9 -39.5 5.7 77.0 6.3 7 28 A A H X S+ 0 0 35 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.865 109.7 50.2 -71.4 -37.5 4.6 79.1 3.3 8 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.946 113.6 46.9 -61.0 -47.3 6.0 82.3 4.8 9 30 A L H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 112.3 48.6 -65.0 -42.3 9.3 80.5 5.4 10 31 A A H X S+ 0 0 62 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.924 112.7 49.2 -62.2 -44.3 9.3 79.0 1.8 11 32 A T H X S+ 0 0 17 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.930 110.1 50.6 -57.9 -48.0 8.6 82.4 0.3 12 33 A A H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.911 110.6 48.4 -61.5 -44.6 11.4 84.1 2.3 13 34 A E H X S+ 0 0 46 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.907 112.5 49.7 -61.9 -41.6 14.0 81.5 1.3 14 35 A N H >< S+ 0 0 86 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.935 113.3 45.1 -60.6 -47.8 12.9 81.9 -2.4 15 36 A L H >X S+ 0 0 23 -4,-2.8 4,-1.7 1,-0.2 3,-1.3 0.811 103.0 64.5 -68.1 -30.3 13.1 85.7 -2.3 16 37 A L H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.702 91.9 66.2 -68.3 -18.3 16.5 85.7 -0.5 17 38 A E T << S+ 0 0 117 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.803 110.4 35.3 -65.5 -29.9 17.9 84.0 -3.6 18 39 A D T <4 S+ 0 0 114 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.769 127.3 5.2 -99.8 -32.0 17.3 87.2 -5.6 19 40 A R S < S- 0 0 75 -4,-1.7 -1,-0.2 1,-0.0 5,-0.0 -0.958 78.0 -89.1-150.6 161.3 17.9 90.0 -3.1 20 41 A P > - 0 0 80 0, 0.0 3,-1.0 0, 0.0 -2,-0.1 -0.245 46.6-104.5 -65.5 167.4 19.1 90.8 0.4 21 42 A L G > S+ 0 0 26 1,-0.2 3,-1.8 2,-0.2 26,-0.0 0.839 120.3 64.1 -61.7 -35.3 16.6 90.8 3.3 22 43 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.775 103.2 47.9 -60.8 -27.3 16.7 94.6 3.3 23 44 A D G < S+ 0 0 106 -3,-1.0 2,-0.5 2,-0.1 -1,-0.3 0.180 97.3 84.5 -99.6 14.6 15.2 94.6 -0.2 24 45 A I < - 0 0 2 -3,-1.8 2,-0.2 -5,-0.0 23,-0.1 -0.978 69.1-153.0-113.2 129.3 12.4 92.1 0.7 25 46 A S > - 0 0 43 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.622 28.2-117.6 -99.4 160.1 9.3 93.6 2.2 26 47 A V H > S+ 0 0 16 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.886 121.3 54.6 -55.6 -39.2 6.7 92.2 4.6 27 48 A D H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 105.8 52.5 -62.1 -40.9 4.3 92.8 1.7 28 49 A D H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 112.8 43.7 -55.0 -48.0 6.5 90.7 -0.5 29 50 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.901 114.4 49.0 -68.0 -43.2 6.5 87.9 2.1 30 51 A A H X>S+ 0 0 4 -4,-2.9 5,-2.6 2,-0.2 4,-0.7 0.950 112.2 48.4 -60.8 -49.7 2.8 88.1 2.7 31 52 A K H ><5S+ 0 0 177 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.934 111.3 49.6 -57.9 -48.2 2.0 88.1 -1.0 32 53 A G H 3<5S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 112.3 47.9 -61.8 -35.0 4.2 85.1 -1.7 33 54 A A H 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.486 113.7-117.8 -83.8 -4.9 2.6 83.2 1.1 34 55 A G T <<5S+ 0 0 70 -3,-1.4 2,-0.3 -4,-0.7 -3,-0.2 0.835 76.3 112.7 71.1 33.5 -0.9 84.0 -0.0 35 56 A I < - 0 0 26 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.854 68.0-101.9-129.4 167.4 -1.7 85.9 3.2 36 57 A S > - 0 0 55 -2,-0.3 4,-2.3 -3,-0.1 5,-0.1 -0.407 36.2-107.7 -80.1 164.8 -2.5 89.5 4.3 37 58 A R H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.921 119.7 47.6 -58.2 -50.0 0.0 91.7 6.0 38 59 A P H > S+ 0 0 95 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.874 109.2 53.6 -65.0 -31.3 -1.7 91.5 9.4 39 60 A T H >> S+ 0 0 41 2,-0.2 4,-1.2 1,-0.2 3,-0.9 0.935 106.1 54.9 -63.9 -43.0 -2.0 87.7 9.1 40 61 A F H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.9 0.935 104.5 53.5 -47.0 -53.0 1.8 87.7 8.5 41 62 A Y H 3< S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.690 98.6 63.4 -63.7 -19.6 2.3 89.6 11.8 42 63 A F H << S+ 0 0 166 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.899 113.9 33.7 -63.5 -40.3 0.3 86.9 13.7 43 64 A Y H << S+ 0 0 36 -4,-1.2 -2,-0.2 -3,-0.9 -3,-0.1 0.818 131.1 19.9 -86.3 -36.8 3.0 84.3 12.7 44 65 A F < - 0 0 7 -4,-2.5 -1,-0.2 1,-0.1 3,-0.1 -1.000 57.2-148.2-137.7 135.9 6.2 86.5 12.8 45 66 A P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.787 83.4 -3.5 -69.5 -25.4 6.9 89.9 14.4 46 67 A S > - 0 0 34 -6,-0.1 4,-1.1 1,-0.1 3,-0.1 -0.968 69.8-105.3-158.9 160.9 9.4 91.0 11.6 47 68 A K H > S+ 0 0 41 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.802 121.2 60.0 -62.6 -31.0 11.1 89.8 8.4 48 69 A E H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 100.6 54.0 -61.3 -39.1 14.2 89.4 10.6 49 70 A A H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.839 104.4 55.5 -67.5 -31.9 12.4 86.9 12.7 50 71 A V H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.920 108.2 47.4 -61.4 -49.1 11.6 85.0 9.6 51 72 A L H X S+ 0 0 6 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.895 108.1 55.9 -57.4 -45.6 15.3 84.8 8.7 52 73 A L H X S+ 0 0 44 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.930 110.0 45.9 -53.4 -45.5 16.1 83.7 12.3 53 74 A T H X S+ 0 0 34 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 112.7 49.3 -66.0 -42.5 13.6 80.8 11.9 54 75 A L H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.922 113.0 47.7 -60.7 -45.1 15.0 79.8 8.5 55 76 A L H X S+ 0 0 7 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.930 110.2 52.5 -63.4 -46.0 18.6 79.9 9.9 56 77 A D H X S+ 0 0 76 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.902 109.8 49.4 -52.4 -44.9 17.5 77.9 12.9 57 78 A R H X S+ 0 0 101 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 113.8 44.5 -63.5 -45.0 16.0 75.2 10.6 58 79 A V H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.946 115.0 48.0 -67.7 -46.5 19.2 75.0 8.4 59 80 A V H X S+ 0 0 8 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.929 111.1 51.0 -58.1 -45.2 21.5 74.9 11.4 60 81 A N H X S+ 0 0 77 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.883 107.3 54.7 -59.3 -38.0 19.3 72.2 13.0 61 82 A Q H X S+ 0 0 90 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.935 110.4 44.6 -61.9 -46.6 19.5 70.2 9.8 62 83 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.940 113.1 52.0 -61.8 -45.2 23.3 70.3 9.9 63 84 A D H X S+ 0 0 33 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.904 108.6 49.9 -58.8 -45.7 23.4 69.4 13.6 64 85 A M H X S+ 0 0 112 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.895 112.3 47.8 -61.9 -41.1 21.1 66.4 13.1 65 86 A A H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 112.2 48.7 -66.8 -41.0 23.3 65.1 10.3 66 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.891 109.1 53.7 -66.2 -39.4 26.5 65.6 12.3 67 88 A Q H X S+ 0 0 69 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.936 108.1 49.9 -59.4 -44.9 24.9 63.8 15.3 68 89 A T H X S+ 0 0 95 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.929 111.5 49.1 -58.8 -44.8 24.0 60.8 13.0 69 90 A L H >< S+ 0 0 32 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.930 110.0 50.3 -57.5 -46.6 27.6 60.8 11.8 70 91 A A H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.811 108.4 54.8 -64.3 -30.4 29.0 60.9 15.3 71 92 A E H 3< S+ 0 0 133 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.769 93.4 81.5 -78.4 -26.1 26.7 58.0 16.3 72 93 A N S << S- 0 0 78 -4,-1.5 3,-0.1 -3,-0.5 0, 0.0 -0.450 102.1 -85.4 -71.2 148.3 27.9 55.7 13.6 73 94 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.340 67.5 -85.9 -47.9 139.8 31.2 53.7 14.2 74 95 A A - 0 0 70 -4,-0.1 -4,-0.1 -3,-0.1 7,-0.1 -0.225 59.4 -63.0 -67.8 138.0 34.1 56.0 13.1 75 96 A D - 0 0 77 -3,-0.1 3,-0.1 6,-0.1 2,-0.1 0.415 35.7-117.0 52.2-171.6 35.5 56.5 9.6 76 97 A T S S+ 0 0 117 1,-1.0 2,-0.2 0, 0.0 -2,-0.0 -0.025 97.8 0.8-118.7 -88.6 37.3 54.2 7.3 77 98 A D S > S- 0 0 83 -2,-0.1 4,-2.2 1,-0.1 -1,-1.0 -0.541 85.9-108.7 -85.8 166.5 40.7 55.8 7.0 78 99 A R H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.845 118.1 50.3 -63.0 -36.9 41.3 59.0 9.0 79 100 A E H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.2 47.6 -69.7 -42.5 41.3 61.2 5.9 80 101 A N H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 107.1 58.4 -65.8 -35.5 38.1 59.8 4.7 81 102 A M H X S+ 0 0 27 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.926 110.5 41.8 -56.4 -49.8 36.5 60.2 8.2 82 103 A W H X S+ 0 0 4 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.866 111.8 55.2 -70.3 -34.9 37.2 64.0 8.1 83 104 A R H X S+ 0 0 54 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.941 109.5 46.7 -60.0 -47.5 36.1 64.3 4.5 84 105 A T H X S+ 0 0 61 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.884 115.0 48.9 -61.9 -38.0 32.7 62.7 5.3 85 106 A W H >X S+ 0 0 10 -4,-1.8 3,-1.1 -5,-0.2 4,-0.8 0.955 113.1 42.7 -66.3 -55.1 32.4 65.0 8.3 86 107 A I H >X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 3,-0.8 0.882 105.7 67.5 -62.7 -36.5 33.3 68.3 6.6 87 108 A N H 3X S+ 0 0 55 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.796 89.8 62.6 -51.9 -33.6 31.0 67.2 3.8 88 109 A V H S+ 0 0 12 -4,-0.8 4,-2.1 -3,-0.8 5,-0.6 0.931 114.6 51.1 -65.7 -47.5 28.6 71.2 6.4 90 111 A F H X5S+ 0 0 28 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.921 117.7 37.7 -56.7 -49.6 29.4 71.6 2.7 91 112 A E H X5S+ 0 0 94 -4,-3.1 4,-1.0 3,-0.2 -1,-0.2 0.893 118.4 46.9 -72.7 -43.2 26.2 69.8 1.6 92 113 A T H <5S+ 0 0 12 -4,-2.3 3,-0.4 -5,-0.3 -3,-0.2 0.975 122.7 32.5 -67.3 -54.8 23.8 71.2 4.2 93 114 A F H ><5S+ 0 0 2 -4,-2.1 3,-1.5 -5,-0.3 7,-0.3 0.867 116.6 57.8 -70.4 -35.1 24.8 74.9 4.0 94 115 A G H >< + 0 0 40 -3,-1.5 4,-2.4 -4,-0.2 -1,-0.2 -0.424 69.8 150.5-140.0 58.9 20.8 76.7 1.4 97 118 A K H <> S+ 0 0 66 -3,-0.5 4,-3.2 1,-0.2 5,-0.2 0.895 70.9 53.4 -61.5 -44.2 23.2 79.3 0.1 98 119 A A H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 113.7 41.8 -59.0 -49.7 20.7 82.2 0.3 99 120 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.898 114.9 51.8 -64.9 -41.8 19.8 81.6 3.9 100 121 A T H X S+ 0 0 8 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.943 112.4 45.5 -57.2 -49.9 23.5 80.9 4.8 101 122 A R H X S+ 0 0 116 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.928 115.9 45.8 -61.9 -48.1 24.5 84.2 3.1 102 123 A A H X S+ 0 0 17 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.910 112.8 50.4 -60.9 -44.6 21.7 86.2 4.8 103 124 A G H X S+ 0 0 3 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.870 107.7 53.0 -63.3 -39.0 22.4 84.6 8.2 104 125 A Q H >< S+ 0 0 67 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.941 110.8 46.9 -63.9 -46.1 26.1 85.4 8.0 105 126 A A H >< S+ 0 0 70 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.867 108.6 57.1 -58.6 -38.3 25.3 89.1 7.3 106 127 A A H >X S+ 0 0 13 -4,-1.9 4,-2.9 1,-0.2 3,-1.3 0.691 85.3 78.0 -72.6 -22.0 22.8 89.1 10.2 107 128 A R T << S+ 0 0 81 -4,-1.1 -1,-0.2 -3,-0.7 7,-0.2 0.823 91.7 55.6 -55.6 -33.8 25.2 88.0 12.9 108 129 A A T <4 S+ 0 0 92 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.714 120.7 27.5 -72.2 -23.5 26.6 91.6 12.9 109 130 A T T <4 S+ 0 0 126 -3,-1.3 2,-0.5 -4,-0.3 -2,-0.2 0.587 113.6 64.8-114.6 -19.4 23.1 93.1 13.6 110 131 A S X - 0 0 25 -4,-2.9 4,-2.5 1,-0.1 -1,-0.2 -0.933 50.7-167.2-118.4 118.7 21.3 90.4 15.5 111 132 A V H > S+ 0 0 99 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.841 95.1 55.5 -66.0 -32.2 22.2 89.0 18.9 112 133 A E H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 110.2 44.0 -65.6 -43.5 19.8 86.0 18.3 113 134 A V H > S+ 0 0 4 -7,-0.2 4,-2.5 2,-0.2 5,-0.2 0.935 113.9 50.9 -64.7 -47.3 21.5 85.1 15.1 114 135 A A H X S+ 0 0 34 -4,-2.5 4,-2.5 -8,-0.3 -2,-0.2 0.905 113.0 45.9 -57.6 -43.1 24.9 85.5 16.7 115 136 A E H X S+ 0 0 132 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.885 110.2 53.0 -68.8 -39.9 23.9 83.3 19.6 116 137 A L H X S+ 0 0 34 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.939 114.1 42.8 -57.5 -48.3 22.4 80.6 17.4 117 138 A W H X S+ 0 0 16 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.932 112.4 52.8 -67.7 -45.7 25.6 80.4 15.4 118 139 A S H X S+ 0 0 53 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.885 108.0 50.9 -54.9 -44.1 27.8 80.5 18.5 119 140 A T H X S+ 0 0 93 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.932 112.8 46.3 -61.5 -44.7 26.0 77.6 20.2 120 141 A F H X S+ 0 0 9 -4,-1.8 4,-2.1 -5,-0.2 5,-0.3 0.948 114.9 46.1 -61.8 -51.4 26.3 75.5 17.0 121 142 A M H X S+ 0 0 17 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.906 110.8 52.0 -60.9 -44.7 30.0 76.3 16.6 122 143 A Q H X S+ 0 0 123 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.918 110.0 51.0 -58.6 -42.8 30.8 75.7 20.3 123 144 A K H X S+ 0 0 86 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.934 115.4 38.9 -61.1 -50.0 29.2 72.3 20.2 124 145 A W H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.805 114.1 54.8 -82.4 -23.4 31.0 71.0 17.1 125 146 A I H X S+ 0 0 12 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.945 109.6 47.9 -62.2 -48.7 34.3 72.6 18.1 126 147 A A H X S+ 0 0 50 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.925 112.3 49.6 -60.1 -42.8 34.0 70.7 21.4 127 148 A Y H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.928 110.5 50.1 -59.0 -47.0 33.3 67.5 19.5 128 149 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 110.5 49.4 -58.4 -44.7 36.3 68.1 17.2 129 150 A A H X S+ 0 0 7 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.925 109.6 51.8 -62.3 -44.7 38.6 68.7 20.2 130 151 A A H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 110.6 48.8 -59.0 -41.1 37.3 65.5 21.9 131 152 A V H X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.935 110.5 49.6 -64.0 -47.2 38.0 63.5 18.7 132 153 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.923 110.7 51.8 -56.5 -43.5 41.6 65.0 18.4 133 154 A D H X S+ 0 0 69 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.929 109.5 48.9 -58.1 -47.5 42.1 64.1 22.1 134 155 A A H X S+ 0 0 30 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.876 109.0 52.8 -61.6 -40.3 41.0 60.5 21.4 135 156 A E H <>S+ 0 0 11 -4,-2.5 5,-2.6 2,-0.2 6,-1.2 0.900 112.6 45.0 -60.3 -43.3 43.3 60.3 18.4 136 157 A R H ><5S+ 0 0 19 -4,-2.3 3,-1.5 4,-0.2 -2,-0.2 0.933 110.3 54.7 -64.1 -45.0 46.2 61.4 20.6 137 158 A D H 3<5S+ 0 0 117 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.852 110.7 45.3 -58.2 -38.9 45.2 59.0 23.4 138 159 A R T 3<5S- 0 0 168 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.412 117.7-112.3 -86.9 2.1 45.3 56.1 20.9 139 160 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.637 87.0 117.4 78.6 15.6 48.6 57.2 19.5 140 161 A A S - 0 0 72 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.333 45.6-128.6 -47.1 126.8 46.0 72.3 22.6 147 168 A A H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.850 103.9 51.7 -55.1 -40.2 43.2 70.3 21.0 148 169 A H H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 111.2 46.9 -69.0 -37.4 40.5 72.9 21.6 149 170 A E H > S+ 0 0 128 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.920 114.5 46.7 -68.1 -43.7 42.5 75.8 20.2 150 171 A L H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.952 113.1 50.2 -60.6 -47.0 43.4 73.7 17.1 151 172 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.886 108.9 52.8 -58.1 -42.6 39.7 72.6 16.8 152 173 A T H X S+ 0 0 41 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.945 110.9 44.6 -60.4 -51.6 38.6 76.3 17.0 153 174 A A H X S+ 0 0 61 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.906 113.3 50.8 -62.7 -41.6 40.9 77.5 14.2 154 175 A L H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.903 112.5 45.8 -64.0 -41.6 40.1 74.6 11.9 155 176 A N H X S+ 0 0 5 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.862 112.0 51.0 -69.1 -35.7 36.3 75.1 12.3 156 177 A L H X S+ 0 0 87 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.884 108.7 52.4 -68.0 -39.0 36.6 78.8 11.8 157 178 A M H X S+ 0 0 45 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.931 109.7 49.8 -55.2 -46.4 38.6 78.2 8.6 158 179 A N H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.939 110.3 50.5 -62.0 -45.5 35.8 75.9 7.5 159 180 A E H X S+ 0 0 21 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.955 117.1 37.5 -55.5 -55.2 33.2 78.5 8.2 160 181 A R H X S+ 0 0 131 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 119.5 47.7 -69.5 -40.4 34.9 81.4 6.3 161 182 A T H X S+ 0 0 33 -4,-2.9 4,-2.3 -5,-0.2 12,-0.3 0.944 113.9 45.2 -69.0 -51.2 36.2 79.2 3.4 162 183 A L H X S+ 0 0 3 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.942 115.7 47.1 -56.5 -47.1 32.9 77.4 2.8 163 184 A F H X S+ 0 0 19 -4,-2.1 4,-2.0 -5,-0.4 6,-0.2 0.897 111.8 49.3 -69.3 -37.9 30.9 80.6 2.9 164 185 A A H X>S+ 0 0 7 -4,-2.3 5,-2.2 -5,-0.2 4,-0.6 0.909 113.4 48.6 -60.8 -44.7 33.3 82.5 0.7 165 186 A S H ><5S+ 0 0 6 -4,-2.3 3,-1.1 2,-0.2 10,-0.3 0.926 109.5 51.0 -60.2 -48.6 33.1 79.6 -1.8 166 187 A F H 3<5S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.902 114.2 44.9 -56.4 -44.9 29.3 79.4 -1.8 167 188 A A H 3<5S- 0 0 51 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.503 107.1-124.3 -78.2 -6.0 29.1 83.1 -2.4 168 189 A G T <<5 - 0 0 57 -3,-1.1 -3,-0.2 -4,-0.6 4,-0.1 0.833 46.2-178.7 60.8 29.9 31.7 83.2 -5.2 169 190 A E < - 0 0 74 -5,-2.2 -1,-0.1 -6,-0.2 -5,-0.0 -0.133 34.1 -96.6 -53.7 154.9 33.6 85.8 -3.1 170 191 A Q S S+ 0 0 187 1,-0.3 -1,-0.1 -3,-0.1 2,-0.1 -0.961 115.9 32.9-117.1 105.8 36.8 87.2 -4.5 171 192 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.456 91.6 129.8 -90.3 152.6 39.0 85.6 -3.2 172 193 A S - 0 0 50 -4,-0.1 -11,-0.1 -2,-0.1 -10,-0.1 -0.984 58.1-106.9-156.9 158.0 37.6 82.1 -2.7 173 194 A V - 0 0 38 -2,-0.3 -5,-0.1 -12,-0.3 5,-0.1 -0.735 54.1 -98.0 -80.2 136.7 38.5 78.4 -3.3 174 195 A P >> - 0 0 84 0, 0.0 3,-2.8 0, 0.0 4,-1.1 -0.333 30.2-121.0 -55.9 138.6 36.4 77.1 -6.2 175 196 A E H >> S+ 0 0 75 -10,-0.3 3,-0.6 1,-0.3 4,-0.5 0.850 113.8 56.9 -50.0 -37.0 33.4 75.2 -4.7 176 197 A A H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.605 113.8 38.8 -72.6 -8.5 34.6 72.1 -6.6 177 198 A R H <> S+ 0 0 126 -3,-2.8 4,-2.0 2,-0.1 -1,-0.2 0.428 90.8 91.5-114.6 -6.6 38.0 72.2 -4.8 178 199 A V H S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 112.7 52.0 -59.3 -40.1 39.8 68.6 -0.8 181 202 A T H X S+ 0 0 41 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.952 113.1 41.2 -60.5 -52.7 41.4 71.9 0.4 182 203 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.914 113.1 54.4 -64.8 -44.8 39.9 71.8 3.9 183 204 A V H X S+ 0 0 1 -4,-2.9 4,-2.8 -5,-0.3 5,-0.3 0.912 107.2 51.0 -56.9 -44.5 40.5 68.1 4.3 184 205 A H H X S+ 0 0 120 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.935 111.7 46.7 -58.0 -49.2 44.2 68.5 3.5 185 206 A I H X S+ 0 0 64 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.910 114.2 48.3 -61.8 -43.2 44.6 71.3 6.1 186 207 A W H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.940 114.4 44.5 -57.8 -52.6 42.7 69.2 8.7 187 208 A V H X S+ 0 0 18 -4,-2.8 4,-2.8 -5,-0.2 5,-0.4 0.937 116.8 44.9 -65.3 -45.0 44.7 66.0 8.2 188 209 A T H X S+ 0 0 68 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.929 117.3 43.9 -65.0 -44.6 48.1 67.7 8.1 189 210 A S H < S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.828 121.0 40.1 -73.8 -29.7 47.5 70.0 11.1 190 211 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.913 129.6 25.7 -82.8 -45.5 45.9 67.2 13.2 191 212 A Y H < S+ 0 0 15 -4,-2.8 2,-0.2 -5,-0.3 -3,-0.2 0.572 98.2 104.9 -99.7 -7.8 48.2 64.3 12.3 192 213 A G S < S- 0 0 28 -4,-1.7 2,-0.2 -5,-0.4 -48,-0.0 -0.497 70.8-121.2 -80.6 140.0 51.4 66.2 11.3 193 214 A E 0 0 166 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.549 360.0 360.0 -79.8 144.2 54.4 66.3 13.7 194 215 A N 0 0 194 -2,-0.2 -1,-0.1 -51,-0.0 -51,-0.1 -0.471 360.0 360.0-178.1 360.0 55.5 69.7 14.8