==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 30-JAN-09 3G1M . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.WILLAND,B.DIRIE,X.CARETTE,P.BIFANI,A.SINGHAL,M.DESROSES, . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 79.4 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 . 1 0.5 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 . 129 66.5 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 1 0 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 49 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -93.6 -2.0 78.5 11.0 2 23 A D H > + 0 0 116 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.912 360.0 48.2 -67.4 -45.7 1.1 76.4 10.5 3 24 A D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.833 112.3 49.0 -60.7 -38.2 0.5 76.4 6.7 4 25 A R H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.900 114.0 46.3 -66.3 -42.5 -0.0 80.2 6.7 5 26 A E H X S+ 0 0 63 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 113.0 49.6 -63.5 -44.8 3.2 80.6 8.7 6 27 A L H X S+ 0 0 73 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.875 108.9 52.5 -61.9 -38.6 5.1 78.2 6.4 7 28 A A H X S+ 0 0 31 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.850 108.9 50.5 -65.4 -35.8 3.8 80.1 3.3 8 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.948 113.1 45.4 -65.3 -48.1 5.1 83.4 4.9 9 30 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.935 113.7 49.3 -61.2 -47.2 8.5 81.8 5.5 10 31 A A H X S+ 0 0 49 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.897 112.0 48.8 -59.5 -43.0 8.6 80.3 1.9 11 32 A T H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.919 110.4 50.9 -61.8 -45.3 7.6 83.6 0.4 12 33 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 111.1 47.4 -60.5 -46.5 10.3 85.4 2.4 13 34 A E H X S+ 0 0 39 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.928 113.6 49.9 -60.9 -43.3 13.0 82.9 1.3 14 35 A N H >< S+ 0 0 101 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.921 112.7 44.2 -60.1 -48.1 11.9 83.2 -2.3 15 36 A L H >X S+ 0 0 34 -4,-2.8 4,-1.7 1,-0.2 3,-1.3 0.838 103.8 65.2 -70.0 -31.4 11.9 87.0 -2.4 16 37 A L H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.766 91.4 65.0 -62.8 -26.3 15.2 87.2 -0.6 17 38 A E T << S+ 0 0 115 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.839 111.1 36.4 -57.4 -34.7 16.8 85.5 -3.7 18 39 A D T <4 S+ 0 0 126 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.795 127.6 1.7 -93.9 -35.4 15.9 88.6 -5.8 19 40 A R S < S- 0 0 78 -4,-1.7 -1,-0.2 2,-0.0 2,-0.0 -0.953 78.6 -84.8-152.1 163.5 16.4 91.6 -3.4 20 41 A P > - 0 0 78 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.335 45.8-105.6 -71.6 158.4 17.5 92.6 0.2 21 42 A L G > S+ 0 0 25 1,-0.3 3,-2.2 2,-0.2 26,-0.0 0.855 120.3 61.7 -50.5 -40.6 15.0 92.5 3.1 22 43 A A G 3 S+ 0 0 81 1,-0.3 -1,-0.3 25,-0.0 25,-0.0 0.777 102.6 51.6 -58.0 -28.8 14.8 96.3 3.0 23 44 A D G < S+ 0 0 101 -3,-1.7 2,-0.5 2,-0.1 -1,-0.3 0.301 97.1 82.6 -90.9 5.3 13.4 96.0 -0.6 24 45 A I < - 0 0 1 -3,-2.2 2,-0.2 -4,-0.2 23,-0.1 -0.959 68.5-154.7-112.1 127.1 10.7 93.5 0.5 25 46 A S > - 0 0 48 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.613 28.7-117.0 -96.0 160.1 7.5 94.9 2.1 26 47 A V H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.889 120.8 58.3 -56.0 -41.6 5.1 93.2 4.5 27 48 A D H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 102.8 51.9 -53.0 -45.5 2.6 93.6 1.7 28 49 A D H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 112.7 45.2 -56.5 -47.9 4.9 91.5 -0.5 29 50 A L H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.891 114.0 47.8 -65.1 -44.4 5.1 88.7 2.1 30 51 A A H X>S+ 0 0 0 -4,-2.9 5,-2.8 2,-0.2 4,-0.7 0.936 112.7 49.0 -62.7 -47.2 1.4 88.7 2.8 31 52 A K H ><5S+ 0 0 168 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.926 111.5 49.0 -59.4 -46.6 0.5 88.7 -0.9 32 53 A G H 3<5S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 113.4 47.3 -61.3 -34.2 3.0 85.8 -1.6 33 54 A A H 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.514 113.9-119.4 -86.2 -5.6 1.5 83.9 1.3 34 55 A G T <<5S+ 0 0 65 -3,-1.0 2,-0.3 -4,-0.7 -3,-0.2 0.853 75.7 112.3 71.1 35.3 -2.1 84.6 0.1 35 56 A I < - 0 0 18 -5,-2.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.852 69.9 -98.8-130.1 167.1 -3.1 86.4 3.3 36 57 A S > - 0 0 56 -2,-0.3 4,-1.7 -3,-0.1 -3,-0.0 -0.428 35.0-110.5 -80.2 162.2 -3.9 90.0 4.2 37 58 A R H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.931 117.7 52.5 -58.4 -48.2 -1.4 92.4 5.8 38 59 A P H > S+ 0 0 98 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.886 107.7 51.1 -59.9 -33.8 -3.2 92.3 9.2 39 60 A T H >> S+ 0 0 37 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.857 102.2 61.3 -73.9 -26.3 -3.2 88.5 9.3 40 61 A F H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-1.3 0.935 99.5 56.7 -52.9 -48.1 0.6 88.6 8.6 41 62 A Y H 3< S+ 0 0 90 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.685 96.5 63.9 -64.5 -16.9 1.0 90.5 11.9 42 63 A F H << S+ 0 0 167 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.873 113.1 32.9 -68.1 -36.5 -0.8 87.7 13.7 43 64 A Y H << S+ 0 0 49 -3,-1.3 -2,-0.2 -4,-0.9 -1,-0.1 0.796 131.6 18.8 -90.3 -34.8 2.1 85.4 12.8 44 65 A F < - 0 0 9 -4,-2.3 -1,-0.3 -5,-0.1 3,-0.1 -1.000 55.5-146.5-142.4 138.1 5.0 87.9 12.8 45 66 A P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.741 85.0 -7.4 -68.7 -24.3 5.6 91.4 14.3 46 67 A S > - 0 0 33 -6,-0.1 4,-1.1 1,-0.1 0, 0.0 -0.963 69.8-101.3-163.0 166.4 7.9 92.4 11.4 47 68 A K H > S+ 0 0 37 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.825 121.8 61.5 -68.5 -31.3 9.7 91.3 8.3 48 69 A E H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 100.1 53.0 -57.7 -41.3 12.8 91.2 10.5 49 70 A A H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 105.5 54.3 -65.0 -34.3 11.1 88.6 12.7 50 71 A V H X S+ 0 0 1 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.913 108.2 49.2 -62.7 -45.2 10.5 86.4 9.6 51 72 A L H X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.907 108.2 53.8 -61.6 -45.1 14.2 86.6 8.7 52 73 A L H X S+ 0 0 51 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.910 109.6 47.9 -53.7 -44.6 15.2 85.5 12.2 53 74 A T H X S+ 0 0 40 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 111.4 50.0 -66.2 -40.9 12.9 82.5 12.0 54 75 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.934 112.8 46.8 -60.1 -48.4 14.4 81.5 8.6 55 76 A L H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.921 109.5 54.2 -61.4 -45.0 17.9 81.8 9.9 56 77 A D H X S+ 0 0 69 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.895 109.2 48.8 -54.9 -43.7 17.0 79.8 13.0 57 78 A R H X S+ 0 0 122 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.916 113.6 45.5 -63.0 -43.1 15.7 77.0 10.8 58 79 A V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 113.4 48.7 -70.0 -43.9 18.8 76.9 8.6 59 80 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.926 113.4 47.3 -64.2 -44.0 21.2 77.1 11.6 60 81 A N H X S+ 0 0 46 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.867 108.6 55.6 -63.7 -35.1 19.3 74.3 13.3 61 82 A Q H X S+ 0 0 83 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.946 111.2 44.2 -61.4 -47.6 19.3 72.2 10.1 62 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.939 114.3 50.0 -60.4 -45.7 23.1 72.5 9.9 63 84 A D H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.906 110.5 48.9 -62.9 -43.1 23.5 71.7 13.6 64 85 A M H X S+ 0 0 106 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.877 110.0 51.9 -64.5 -39.6 21.2 68.6 13.4 65 86 A A H X S+ 0 0 33 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 109.2 50.1 -63.0 -42.7 23.1 67.3 10.4 66 87 A L H X S+ 0 0 23 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.931 109.7 51.5 -61.8 -42.8 26.4 67.7 12.3 67 88 A Q H X S+ 0 0 96 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.887 109.6 49.2 -58.1 -43.6 24.9 65.8 15.2 68 89 A T H X S+ 0 0 82 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.924 112.1 48.2 -63.6 -46.1 23.8 63.0 13.0 69 90 A L H >< S+ 0 0 45 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.929 111.7 50.8 -58.0 -46.2 27.3 62.8 11.5 70 91 A A H 3< S+ 0 0 40 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.825 101.6 61.5 -61.0 -35.2 28.8 62.9 15.0 71 92 A E H 3< S+ 0 0 147 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.726 93.9 78.9 -69.3 -23.7 26.5 60.0 16.1 72 93 A N << - 0 0 87 -4,-1.0 0, 0.0 -3,-0.9 0, 0.0 -0.539 69.6-152.0 -74.2 146.3 28.1 57.8 13.5 73 94 A P - 0 0 133 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.765 31.8-170.3 -77.9 -32.1 31.5 56.3 14.2 74 95 A A - 0 0 44 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.754 24.4-125.1 50.7 45.1 31.7 56.5 10.3 75 96 A D + 0 0 159 1,-0.1 2,-0.3 6,-0.0 -1,-0.2 0.241 59.2 128.1 -19.1 104.4 35.0 54.4 9.8 76 97 A T - 0 0 74 -3,-0.2 2,-0.2 3,-0.0 -1,-0.1 -0.907 60.7 -84.9-154.9 174.3 37.2 56.8 7.8 77 98 A D > - 0 0 100 -2,-0.3 4,-2.1 1,-0.1 3,-0.1 -0.634 47.7-108.7 -86.8 158.7 40.6 58.6 7.4 78 99 A R H > S+ 0 0 116 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.837 116.2 51.9 -60.6 -39.1 41.1 61.8 9.2 79 100 A E H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 111.8 47.4 -65.4 -43.1 41.0 64.1 6.1 80 101 A N H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.860 106.7 58.1 -66.2 -35.8 37.7 62.6 5.1 81 102 A M H X S+ 0 0 61 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.958 112.3 39.4 -54.7 -53.5 36.3 62.9 8.6 82 103 A W H X S+ 0 0 18 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.880 113.2 56.7 -68.4 -37.5 36.8 66.7 8.6 83 104 A R H X S+ 0 0 58 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.931 106.7 48.4 -58.2 -46.0 35.8 67.0 4.9 84 105 A T H X S+ 0 0 51 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.912 113.3 48.8 -63.3 -38.6 32.4 65.4 5.7 85 106 A G H >X S+ 0 0 14 -4,-1.8 4,-0.9 2,-0.2 3,-0.5 0.934 112.4 45.3 -65.7 -49.2 31.9 67.7 8.6 86 107 A I H >X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 3,-0.7 0.902 108.2 61.2 -60.9 -36.6 32.8 70.9 6.7 87 108 A N H 3X S+ 0 0 53 -4,-2.5 4,-2.9 -5,-0.3 5,-0.4 0.830 91.9 64.6 -60.9 -33.5 30.5 69.6 3.9 88 109 A V H S+ 0 0 26 -4,-0.9 4,-2.4 -3,-0.7 5,-0.6 0.892 113.5 54.4 -77.0 -41.1 27.9 73.4 6.4 90 111 A F H X5S+ 0 0 29 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.933 117.4 38.2 -56.0 -46.2 28.9 73.9 2.8 91 112 A E H X5S+ 0 0 94 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.922 118.1 47.0 -74.9 -43.6 25.7 72.1 1.6 92 113 A T H <5S+ 0 0 12 -4,-2.3 4,-0.3 -5,-0.4 3,-0.3 0.972 122.7 33.3 -66.7 -52.5 23.3 73.4 4.3 93 114 A F H ><5S+ 0 0 7 -4,-2.4 3,-1.3 1,-0.2 7,-0.3 0.885 116.7 56.9 -70.6 -34.9 24.3 77.1 3.9 94 115 A G H >< S+ 0 0 38 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 -0.401 70.1 148.7-134.4 56.1 20.1 78.5 1.5 97 118 A K H <> S+ 0 0 67 -3,-0.5 4,-2.9 1,-0.2 5,-0.2 0.867 71.3 51.6 -59.0 -42.2 22.3 81.3 0.1 98 119 A A H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 114.1 43.3 -65.3 -43.6 19.6 84.0 0.3 99 120 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.918 114.3 51.6 -67.4 -42.3 18.8 83.3 3.9 100 121 A T H X S+ 0 0 6 -4,-2.7 4,-2.5 -7,-0.3 -2,-0.2 0.942 113.6 43.8 -56.2 -52.9 22.6 83.0 4.7 101 122 A R H X S+ 0 0 154 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.940 117.6 43.3 -59.4 -52.5 23.4 86.3 3.1 102 123 A A H X S+ 0 0 16 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.890 113.5 53.6 -62.8 -41.7 20.4 88.2 4.6 103 124 A G H X S+ 0 0 0 -4,-3.1 4,-0.8 -5,-0.2 -1,-0.2 0.894 108.4 48.7 -59.2 -45.6 21.0 86.5 8.0 104 125 A Q H >< S+ 0 0 37 -4,-2.5 3,-0.8 -5,-0.2 4,-0.4 0.919 110.9 49.9 -63.7 -42.5 24.6 87.6 8.1 105 126 A A H >< S+ 0 0 69 -4,-2.1 3,-1.5 1,-0.2 4,-0.4 0.900 104.3 59.8 -61.6 -39.6 23.8 91.2 7.2 106 127 A A H >X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.3 3,-0.9 0.695 84.0 80.5 -65.3 -19.8 21.1 91.3 10.0 107 128 A R T << S+ 0 0 83 -3,-0.8 -1,-0.3 -4,-0.8 7,-0.2 0.852 90.9 53.7 -51.2 -34.7 23.8 90.6 12.6 108 129 A A T <4 S+ 0 0 93 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.799 121.3 26.4 -72.2 -29.7 24.7 94.3 12.5 109 130 A T T <4 S+ 0 0 127 -3,-0.9 2,-0.5 -4,-0.4 -2,-0.2 0.469 112.7 64.9-117.8 -10.2 21.2 95.6 13.1 110 131 A S X - 0 0 21 -4,-2.4 4,-2.8 1,-0.1 5,-0.2 -0.947 51.9-166.5-123.1 113.5 19.5 92.8 15.1 111 132 A V H > S+ 0 0 100 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.873 95.1 55.6 -59.6 -34.9 20.6 91.8 18.6 112 133 A E H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 110.4 42.4 -64.1 -46.2 18.4 88.6 18.2 113 134 A V H > S+ 0 0 3 -7,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 114.1 53.2 -65.0 -45.1 20.1 87.6 15.0 114 135 A A H X S+ 0 0 35 -4,-2.8 4,-2.6 -8,-0.3 -2,-0.2 0.917 111.8 45.0 -55.4 -45.6 23.6 88.5 16.5 115 136 A E H X S+ 0 0 131 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.841 111.0 53.3 -66.7 -35.8 22.9 86.3 19.5 116 137 A L H X S+ 0 0 20 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.952 112.1 44.1 -64.4 -49.5 21.6 83.4 17.4 117 138 A W H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.944 114.0 50.4 -60.5 -48.2 24.7 83.4 15.3 118 139 A S H X S+ 0 0 57 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.911 108.0 54.2 -56.7 -44.8 27.0 83.7 18.3 119 140 A T H X S+ 0 0 69 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.918 112.2 41.6 -57.3 -49.0 25.2 80.9 20.1 120 141 A F H X S+ 0 0 13 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.890 112.0 54.4 -73.1 -36.1 25.7 78.4 17.3 121 142 A M H X S+ 0 0 16 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.924 108.2 50.5 -58.6 -46.9 29.3 79.5 16.5 122 143 A Q H X S+ 0 0 119 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.912 112.0 48.2 -54.1 -43.2 30.1 78.8 20.2 123 144 A K H X S+ 0 0 85 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.925 113.2 46.0 -63.8 -47.1 28.5 75.4 19.9 124 145 A W H X S+ 0 0 7 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.870 112.8 50.8 -67.9 -36.5 30.3 74.5 16.7 125 146 A I H X S+ 0 0 13 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.916 110.0 49.7 -64.0 -45.4 33.6 75.7 18.1 126 147 A A H X S+ 0 0 48 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.912 111.5 49.8 -62.4 -39.5 33.2 73.7 21.2 127 148 A Y H X S+ 0 0 97 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.943 111.5 46.6 -68.0 -44.4 32.4 70.6 19.2 128 149 A T H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.906 111.5 52.0 -64.0 -36.5 35.4 71.0 16.9 129 150 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.876 108.6 52.2 -64.8 -36.9 37.7 71.6 20.0 130 151 A A H X S+ 0 0 50 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.848 110.3 47.3 -66.4 -36.2 36.3 68.4 21.5 131 152 A V H X S+ 0 0 23 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.918 111.7 49.7 -71.8 -42.6 37.1 66.4 18.4 132 153 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.934 111.2 51.3 -57.9 -43.7 40.6 67.9 18.2 133 154 A D H X S+ 0 0 71 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 109.8 48.7 -60.2 -45.3 41.0 67.0 21.9 134 155 A A H X S+ 0 0 53 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.891 109.8 52.2 -60.0 -43.8 39.9 63.4 21.1 135 156 A E H <>S+ 0 0 14 -4,-2.6 5,-2.0 2,-0.2 6,-1.4 0.878 112.0 45.9 -59.9 -40.6 42.4 63.2 18.2 136 157 A R H ><5S+ 0 0 19 -4,-2.2 3,-1.3 4,-0.2 -2,-0.2 0.903 110.2 53.2 -69.4 -41.6 45.2 64.4 20.5 137 158 A D H 3<5S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.858 108.2 51.8 -60.6 -35.6 44.1 61.9 23.2 138 159 A R T 3<5S- 0 0 162 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.547 116.1-116.0 -75.7 -11.9 44.3 59.1 20.6 139 160 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.518 89.4 110.9 81.9 8.6 47.9 60.1 19.6 140 161 A A S - 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.390 46.2-131.6 -46.8 124.5 45.2 75.4 22.6 147 168 A A H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 102.6 51.2 -57.7 -38.1 42.5 73.3 20.9 148 169 A H H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 111.4 47.1 -71.0 -37.5 39.7 75.8 21.6 149 170 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 113.3 49.1 -68.0 -42.2 41.7 78.8 20.2 150 171 A L H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.938 111.9 49.2 -60.1 -48.7 42.6 76.7 17.1 151 172 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.869 108.5 54.3 -58.1 -40.0 38.9 75.7 16.7 152 173 A T H X S+ 0 0 42 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.962 110.3 43.8 -62.4 -51.7 37.8 79.4 17.0 153 174 A A H X S+ 0 0 61 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.915 114.8 50.5 -60.3 -43.3 40.1 80.6 14.2 154 175 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.898 112.0 46.2 -63.3 -42.0 39.2 77.7 12.0 155 176 A N H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.883 112.2 50.4 -67.3 -39.5 35.5 78.2 12.4 156 177 A L H X S+ 0 0 88 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.899 108.4 53.5 -64.7 -40.9 35.8 82.0 11.9 157 178 A M H X S+ 0 0 43 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.941 109.5 48.7 -54.2 -47.8 37.8 81.2 8.7 158 179 A N H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 5,-0.5 0.907 109.8 51.9 -61.2 -41.9 34.9 79.0 7.5 159 180 A E H X S+ 0 0 32 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.975 117.9 36.1 -57.2 -56.2 32.3 81.7 8.3 160 181 A R H X S+ 0 0 130 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.894 121.8 45.6 -66.0 -41.0 34.1 84.4 6.3 161 182 A T H X S+ 0 0 33 -4,-3.1 4,-2.0 -5,-0.3 12,-0.3 0.927 114.3 44.5 -75.9 -47.3 35.3 82.1 3.5 162 183 A L H X S+ 0 0 4 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.943 116.9 46.7 -59.8 -46.4 32.1 80.1 2.8 163 184 A F H X S+ 0 0 20 -4,-1.9 4,-1.8 -5,-0.5 -2,-0.2 0.859 110.8 50.5 -72.5 -33.1 30.0 83.2 2.9 164 185 A A H <>S+ 0 0 7 -4,-2.1 5,-2.3 -5,-0.2 4,-0.5 0.899 113.2 48.8 -65.1 -40.2 32.3 85.3 0.7 165 186 A S H ><5S+ 0 0 6 -4,-2.0 3,-1.0 1,-0.2 10,-0.4 0.920 110.4 48.3 -65.2 -46.2 32.3 82.4 -1.8 166 187 A F H 3<5S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 114.4 47.1 -64.7 -33.7 28.5 82.0 -1.8 167 188 A A T 3<5S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.510 107.2-126.5 -83.8 -5.9 28.0 85.8 -2.3 168 189 A G T < 5 + 0 0 56 -3,-1.0 -3,-0.2 -4,-0.5 4,-0.1 0.826 45.5 179.1 57.9 35.4 30.6 85.8 -5.1 169 190 A E < - 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0 0 24 -4,-1.8 -48,-0.0 -5,-0.4 -4,-0.0 -0.476 46.0-167.8 -72.6 125.9 50.8 69.5 11.5 193 214 A E 0 0 140 -2,-0.3 -1,-0.2 1,-0.1 -52,-0.0 0.906 360.0 360.0 -72.2 -50.0 53.6 69.3 14.0 194 215 A N 0 0 207 -3,-0.1 -1,-0.1 -50,-0.0 -3,-0.0 -0.626 360.0 360.0-164.0 360.0 54.9 72.2 12.0