==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR/INHIBITOR 03-AUG-10 3O8G . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TET . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.WILLAND,M.DESROSES,P.TOTO,B.DIRI,Z.LENS,V.VILLERET,P.RUCKT . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 79.9 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 67.5 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 0 0 3 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 62 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.2 -3.0 78.8 10.4 2 23 A D H > + 0 0 113 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.779 360.0 57.8 -68.4 -28.3 0.4 77.1 10.9 3 24 A D H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.799 100.1 57.4 -68.2 -31.6 0.3 76.9 7.1 4 25 A R H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.851 106.5 47.5 -67.9 -37.5 -0.1 80.8 7.0 5 26 A E H X S+ 0 0 60 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.917 112.4 49.2 -67.0 -44.7 3.2 81.3 9.0 6 27 A L H X S+ 0 0 69 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.866 109.9 52.3 -62.5 -38.6 5.1 78.8 6.7 7 28 A A H X S+ 0 0 34 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.876 108.1 50.6 -66.6 -37.6 3.7 80.6 3.6 8 29 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.926 113.4 46.2 -60.0 -46.1 4.9 84.0 5.0 9 30 A L H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 112.5 49.2 -63.1 -49.1 8.4 82.4 5.6 10 31 A A H X S+ 0 0 53 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.899 111.9 49.4 -58.6 -43.6 8.5 80.7 2.1 11 32 A T H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.913 109.9 50.5 -61.3 -48.7 7.5 84.0 0.4 12 33 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.926 109.8 49.8 -56.6 -48.9 10.2 86.0 2.3 13 34 A E H X S+ 0 0 40 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.931 111.9 49.9 -55.5 -46.1 13.0 83.5 1.3 14 35 A N H >X S+ 0 0 110 -4,-2.0 3,-0.8 1,-0.2 4,-0.5 0.908 112.1 44.9 -58.8 -47.7 11.9 83.7 -2.4 15 36 A L H >X S+ 0 0 42 -4,-2.2 4,-1.7 1,-0.2 3,-1.0 0.814 102.5 65.7 -71.4 -32.0 11.9 87.5 -2.6 16 37 A L H 3< S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.742 92.4 64.5 -60.9 -24.1 15.2 87.8 -0.8 17 38 A E H << S+ 0 0 103 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.857 111.2 36.5 -58.6 -38.6 16.8 86.0 -3.8 18 39 A D H << S+ 0 0 142 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.781 127.4 1.4 -88.2 -35.9 15.8 89.0 -5.9 19 40 A R S < S- 0 0 77 -4,-1.7 -1,-0.2 2,-0.0 5,-0.0 -0.969 77.6 -84.2-155.9 159.8 16.3 92.0 -3.6 20 41 A P > - 0 0 78 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.318 44.3-108.3 -69.3 155.0 17.4 93.2 -0.2 21 42 A L G > S+ 0 0 26 1,-0.3 3,-1.9 2,-0.2 26,-0.0 0.849 118.7 67.9 -50.8 -38.5 15.0 93.2 2.8 22 43 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.802 102.5 44.7 -44.5 -39.6 15.0 97.0 2.5 23 44 A D G < S+ 0 0 101 -3,-1.9 2,-0.5 2,-0.1 -1,-0.3 0.172 95.2 90.2 -98.9 12.6 13.1 96.7 -0.9 24 45 A I < - 0 0 2 -3,-1.9 2,-0.3 -4,-0.2 23,-0.1 -0.948 64.4-155.5-107.3 129.5 10.6 94.1 0.3 25 46 A S > - 0 0 48 -2,-0.5 4,-1.9 1,-0.1 3,-0.2 -0.701 28.6-118.3-102.5 158.6 7.4 95.4 1.8 26 47 A V H > S+ 0 0 15 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.867 118.9 59.2 -58.5 -35.7 4.9 93.8 4.2 27 48 A D H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.908 103.3 50.2 -58.4 -43.9 2.4 94.1 1.3 28 49 A D H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.905 113.9 45.0 -57.2 -45.9 4.7 92.0 -0.8 29 50 A L H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.915 114.9 46.9 -67.5 -47.6 4.9 89.3 1.9 30 51 A A H X>S+ 0 0 1 -4,-3.2 5,-2.2 2,-0.2 4,-0.8 0.921 114.2 48.3 -58.9 -47.4 1.2 89.4 2.7 31 52 A K H ><5S+ 0 0 181 -4,-2.9 3,-0.9 -5,-0.2 -2,-0.2 0.936 112.1 47.9 -62.7 -47.6 0.3 89.2 -1.0 32 53 A G H 3<5S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.822 113.6 48.9 -61.4 -31.0 2.8 86.3 -1.7 33 54 A A H 3<5S- 0 0 17 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.555 111.8-121.4 -86.6 -9.3 1.4 84.4 1.4 34 55 A G T <<5S+ 0 0 68 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.834 75.7 105.9 72.9 32.8 -2.3 85.0 0.3 35 56 A I S - 0 0 59 -2,-0.3 4,-1.8 -3,-0.1 -3,-0.0 -0.496 34.2-110.0 -84.7 161.0 -4.1 90.5 4.2 37 58 A R H > S+ 0 0 103 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.893 120.0 50.6 -57.9 -45.2 -1.6 93.0 5.6 38 59 A P H > S+ 0 0 99 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.888 107.4 55.0 -63.0 -32.5 -3.4 93.2 9.0 39 60 A T H >> S+ 0 0 40 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.886 100.0 61.2 -65.0 -35.7 -3.4 89.3 9.1 40 61 A F H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-1.3 0.900 98.5 57.4 -49.7 -46.0 0.5 89.4 8.6 41 62 A Y H 3< S+ 0 0 99 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.702 94.7 64.1 -70.9 -18.7 0.8 91.3 11.9 42 63 A F H << S+ 0 0 174 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.873 114.0 33.9 -63.6 -37.3 -0.9 88.5 13.8 43 64 A Y H << S+ 0 0 50 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.1 0.819 130.5 16.4 -89.7 -38.2 2.1 86.2 12.9 44 65 A F < - 0 0 8 -4,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.998 54.8-144.4-139.3 142.6 5.0 88.7 12.9 45 66 A P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.752 84.9 -7.6 -73.2 -20.5 5.7 92.2 14.3 46 67 A S > - 0 0 33 -6,-0.1 4,-1.1 1,-0.1 3,-0.0 -0.970 68.8-101.3-163.9 164.9 7.9 93.2 11.3 47 68 A K H > S+ 0 0 39 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.836 121.7 60.3 -65.9 -29.5 9.7 92.1 8.2 48 69 A E H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.857 100.8 53.0 -63.0 -37.9 12.9 92.0 10.3 49 70 A A H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.844 104.7 55.6 -67.5 -31.6 11.2 89.5 12.7 50 71 A V H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.912 107.1 49.6 -63.9 -44.0 10.5 87.2 9.6 51 72 A L H X S+ 0 0 7 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.891 107.2 55.0 -62.2 -42.7 14.3 87.3 8.7 52 73 A L H X S+ 0 0 45 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.909 109.3 47.1 -56.2 -46.1 15.2 86.3 12.3 53 74 A T H X S+ 0 0 38 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.908 111.7 50.6 -62.5 -44.9 13.0 83.3 12.1 54 75 A L H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.933 112.9 46.5 -57.2 -46.6 14.4 82.3 8.6 55 76 A L H X S+ 0 0 5 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.914 109.9 53.9 -63.5 -45.5 18.0 82.6 10.0 56 77 A D H X S+ 0 0 64 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.873 108.6 49.4 -53.9 -44.3 17.1 80.6 13.1 57 78 A R H X S+ 0 0 126 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.932 113.1 46.0 -64.0 -47.1 15.7 77.7 11.0 58 79 A V H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 112.8 48.8 -59.8 -50.3 18.9 77.6 8.8 59 80 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 113.4 47.6 -58.6 -45.0 21.4 77.8 11.7 60 81 A N H X S+ 0 0 47 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.870 108.3 55.7 -63.7 -36.3 19.4 75.0 13.6 61 82 A Q H X S+ 0 0 88 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.945 111.3 43.6 -61.6 -47.9 19.4 72.9 10.3 62 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 113.8 51.6 -58.8 -46.3 23.2 73.1 10.1 63 84 A D H X S+ 0 0 14 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.921 109.8 48.7 -60.5 -44.2 23.5 72.4 13.9 64 85 A M H X S+ 0 0 109 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.894 109.6 52.4 -63.8 -40.6 21.3 69.3 13.7 65 86 A A H X S+ 0 0 38 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.911 108.6 50.5 -62.7 -41.1 23.3 68.0 10.7 66 87 A L H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.898 106.7 55.2 -63.2 -40.2 26.6 68.4 12.6 67 88 A Q H X S+ 0 0 99 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.878 102.9 56.4 -57.3 -41.6 25.0 66.5 15.6 68 89 A T H X S+ 0 0 80 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.884 109.8 45.3 -57.5 -42.2 24.2 63.5 13.2 69 90 A L H >< S+ 0 0 56 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.925 111.1 52.7 -65.5 -45.2 28.0 63.4 12.3 70 91 A A H 3< S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.843 105.0 56.1 -59.6 -37.5 29.0 63.7 16.0 71 92 A E H 3< S+ 0 0 141 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.699 100.5 72.2 -69.0 -24.8 26.7 60.7 16.9 72 93 A N << - 0 0 81 -3,-0.9 -3,-0.0 -4,-0.7 0, 0.0 -0.494 67.0-148.9 -88.4 159.6 28.4 58.3 14.4 73 94 A P - 0 0 134 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.908 29.7-174.2 -81.0 -57.0 31.9 56.7 14.5 74 95 A A - 0 0 56 1,-0.2 -2,-0.0 7,-0.0 -5,-0.0 0.569 31.2-119.9 80.7 24.6 32.1 56.8 10.6 75 96 A D + 0 0 167 1,-0.1 2,-0.3 6,-0.0 -1,-0.2 0.624 60.3 143.7 2.2 95.5 35.4 54.8 9.9 76 97 A T - 0 0 68 -3,-0.2 2,-0.2 3,-0.0 -1,-0.1 -0.920 55.0-102.6-147.4 157.4 37.4 57.5 8.0 77 98 A D > - 0 0 103 -2,-0.3 4,-2.2 1,-0.1 0, 0.0 -0.574 45.7-107.7 -77.9 155.2 40.8 59.1 7.4 78 99 A R H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.856 117.7 50.3 -57.4 -42.7 41.5 62.4 9.3 79 100 A E H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 112.2 48.1 -62.5 -44.9 41.3 64.6 6.2 80 101 A N H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.851 107.0 57.6 -62.8 -36.1 38.0 63.1 5.2 81 102 A M H X S+ 0 0 62 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.954 112.0 39.9 -55.4 -55.0 36.6 63.5 8.8 82 103 A W H X S+ 0 0 19 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.892 112.1 57.9 -64.8 -39.1 37.2 67.3 8.7 83 104 A R H X S+ 0 0 56 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.916 105.0 49.1 -58.1 -44.0 36.0 67.5 5.1 84 105 A T H X S+ 0 0 57 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.884 113.2 48.1 -65.8 -41.0 32.6 66.0 5.9 85 106 A G H >X S+ 0 0 16 -4,-1.5 4,-0.8 2,-0.2 3,-0.5 0.935 112.7 46.2 -61.5 -49.8 32.1 68.4 8.8 86 107 A I H >X S+ 0 0 5 -4,-2.9 4,-2.0 1,-0.2 3,-1.0 0.924 108.1 59.9 -59.4 -41.7 33.2 71.5 6.9 87 108 A N H 3X S+ 0 0 55 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.794 92.1 66.5 -57.5 -34.2 30.8 70.3 4.1 88 109 A V H S+ 0 0 28 -3,-1.0 4,-2.4 -4,-0.8 5,-0.6 0.908 114.0 53.4 -77.7 -42.2 28.2 74.3 6.5 90 111 A F H X5S+ 0 0 28 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.920 118.0 38.4 -56.0 -47.5 29.2 74.8 2.9 91 112 A E H X5S+ 0 0 94 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.914 117.8 46.7 -74.2 -45.4 26.0 72.8 1.8 92 113 A T H <5S+ 0 0 14 -4,-2.3 3,-0.5 -5,-0.3 4,-0.3 0.962 121.7 35.4 -63.2 -51.1 23.6 74.1 4.4 93 114 A F H ><5S+ 0 0 9 -4,-2.4 3,-1.2 1,-0.2 7,-0.3 0.882 116.6 55.6 -71.7 -33.5 24.5 77.9 4.0 94 115 A G H 3< S+ 0 0 39 -3,-1.2 4,-2.5 -4,-0.3 -1,-0.2 -0.380 71.3 148.6-138.1 55.0 20.2 79.2 1.5 97 118 A K H > S+ 0 0 54 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.863 71.5 49.7 -60.4 -42.8 22.4 82.0 0.1 98 119 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.930 114.4 44.2 -65.8 -45.8 19.8 84.8 0.2 99 120 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.927 114.8 51.2 -62.3 -48.2 18.8 84.1 3.9 100 121 A T H X S+ 0 0 5 -4,-2.5 4,-2.7 -7,-0.3 -2,-0.2 0.919 113.1 44.6 -47.5 -56.1 22.6 83.7 4.8 101 122 A R H X S+ 0 0 108 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.946 116.4 43.3 -60.7 -55.4 23.5 87.1 3.2 102 123 A A H X S+ 0 0 18 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.890 114.2 53.6 -57.5 -43.1 20.6 89.1 4.6 103 124 A G H X S+ 0 0 1 -4,-2.8 4,-0.8 -5,-0.3 -2,-0.2 0.928 107.2 49.8 -58.3 -49.6 21.2 87.4 8.0 104 125 A Q H >< S+ 0 0 36 -4,-2.7 3,-0.7 1,-0.2 4,-0.3 0.895 111.6 48.5 -57.1 -42.1 24.9 88.4 8.1 105 126 A A H >< S+ 0 0 70 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.872 104.8 59.6 -66.2 -37.0 24.0 92.1 7.2 106 127 A A H >X S+ 0 0 15 -4,-1.9 4,-1.8 1,-0.3 3,-0.6 0.644 84.2 80.1 -70.2 -15.1 21.3 92.2 9.9 107 128 A R T << S+ 0 0 150 -4,-0.8 -1,-0.3 -3,-0.7 7,-0.2 0.795 90.3 54.8 -59.6 -26.5 23.9 91.4 12.6 108 129 A A T <4 S+ 0 0 70 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.820 121.0 26.8 -73.9 -30.5 24.9 95.1 12.5 109 130 A T T <4 S+ 0 0 130 -3,-0.6 2,-0.5 -4,-0.4 -2,-0.2 0.420 112.8 66.2-116.4 -5.6 21.4 96.5 13.2 110 131 A S X - 0 0 29 -4,-1.8 4,-2.5 1,-0.1 5,-0.1 -0.969 52.3-165.5-128.5 118.3 19.7 93.7 15.1 111 132 A V H > S+ 0 0 111 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.897 95.6 52.6 -68.3 -38.2 20.7 92.6 18.7 112 133 A E H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 111.7 45.0 -60.0 -47.9 18.6 89.4 18.3 113 134 A V H > S+ 0 0 4 -7,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 113.2 50.9 -60.8 -46.5 20.3 88.4 15.0 114 135 A A H X S+ 0 0 37 -4,-2.5 4,-2.3 -8,-0.3 -2,-0.2 0.929 113.3 45.6 -56.3 -48.4 23.8 89.3 16.5 115 136 A E H X S+ 0 0 133 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.855 109.8 53.2 -61.2 -44.0 23.1 87.1 19.6 116 137 A L H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.948 113.1 44.1 -58.2 -50.6 21.7 84.1 17.6 117 138 A W H X S+ 0 0 24 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.932 114.3 49.2 -60.0 -50.3 24.9 84.1 15.4 118 139 A S H X S+ 0 0 56 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.920 109.7 53.3 -54.8 -48.5 27.2 84.5 18.4 119 140 A T H X S+ 0 0 61 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.927 113.4 41.0 -55.3 -51.7 25.4 81.7 20.3 120 141 A F H X S+ 0 0 19 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.887 112.2 54.5 -69.5 -38.0 25.8 79.1 17.5 121 142 A M H X S+ 0 0 17 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.930 108.4 50.7 -56.8 -45.7 29.4 80.1 16.6 122 143 A Q H X S+ 0 0 123 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.929 111.9 47.5 -56.2 -46.1 30.4 79.6 20.3 123 144 A K H X S+ 0 0 86 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.914 113.2 47.2 -60.3 -47.2 28.7 76.1 20.2 124 145 A W H X S+ 0 0 10 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.853 112.2 50.3 -67.1 -38.7 30.5 75.2 16.9 125 146 A I H X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.906 109.2 51.4 -59.9 -47.1 33.9 76.4 18.2 126 147 A A H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 111.3 47.8 -61.3 -40.0 33.5 74.4 21.5 127 148 A Y H X S+ 0 0 95 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.948 110.9 50.3 -68.3 -46.9 32.7 71.2 19.4 128 149 A T H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 112.2 48.3 -49.8 -50.1 35.7 71.8 17.1 129 150 A A H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.883 109.6 52.5 -61.9 -41.3 38.0 72.3 20.2 130 151 A A H X S+ 0 0 51 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.892 110.2 48.2 -60.1 -43.0 36.6 69.0 21.8 131 152 A V H X S+ 0 0 27 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.927 111.7 48.7 -63.1 -46.8 37.4 67.1 18.6 132 153 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 110.7 52.2 -58.5 -44.6 41.0 68.5 18.4 133 154 A D H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.889 108.7 50.0 -58.5 -43.4 41.5 67.6 22.1 134 155 A A H X S+ 0 0 52 -4,-2.0 4,-1.7 2,-0.2 6,-0.2 0.893 109.2 51.4 -59.0 -46.1 40.4 64.0 21.5 135 156 A E H <>S+ 0 0 15 -4,-2.2 5,-2.4 1,-0.2 6,-0.9 0.917 112.0 47.0 -57.2 -46.1 42.8 63.7 18.5 136 157 A R H ><5S+ 0 0 18 -4,-2.3 3,-1.9 4,-0.2 -2,-0.2 0.924 107.3 58.3 -61.6 -44.0 45.6 65.0 20.8 137 158 A D H 3<5S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 108.8 43.3 -60.3 -33.7 44.5 62.5 23.6 138 159 A R T 3<5S- 0 0 167 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.300 118.9-109.1 -93.2 9.9 45.0 59.4 21.3 139 160 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.670 87.3 117.7 73.8 19.0 48.3 60.8 19.9 140 161 A A S - 0 0 69 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.334 46.7-130.9 -46.9 126.3 45.7 76.1 22.9 147 168 A A H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.849 102.2 51.8 -59.2 -39.4 42.9 74.1 21.1 148 169 A H H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 111.6 47.5 -66.1 -39.8 40.1 76.6 21.8 149 170 A E H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.934 113.2 47.8 -63.7 -47.7 42.2 79.5 20.4 150 171 A L H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.942 112.5 50.0 -55.0 -49.0 43.1 77.4 17.3 151 172 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.857 108.2 53.9 -61.5 -39.4 39.4 76.4 16.9 152 173 A T H X S+ 0 0 45 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.949 110.4 43.7 -61.2 -52.6 38.2 80.1 17.1 153 174 A A H X S+ 0 0 63 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 114.2 51.9 -60.7 -40.5 40.5 81.4 14.3 154 175 A L H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.905 111.9 46.0 -63.8 -45.3 39.6 78.4 12.1 155 176 A N H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.885 111.5 50.3 -62.9 -42.8 35.9 79.0 12.5 156 177 A L H X S+ 0 0 89 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.872 109.0 53.4 -63.9 -39.5 36.1 82.8 11.9 157 178 A M H X S+ 0 0 44 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.946 109.4 48.3 -54.9 -49.6 38.1 82.0 8.7 158 179 A N H X S+ 0 0 14 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.914 111.7 50.8 -60.0 -44.4 35.2 79.6 7.6 159 180 A E H X S+ 0 0 49 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.962 116.7 37.8 -53.4 -60.0 32.6 82.3 8.4 160 181 A R H X S+ 0 0 130 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.893 120.4 46.1 -61.7 -45.1 34.4 85.1 6.4 161 182 A T H X S+ 0 0 33 -4,-2.9 4,-2.3 -5,-0.3 12,-0.3 0.920 113.1 46.8 -69.9 -49.4 35.6 82.9 3.5 162 183 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.940 116.4 44.9 -55.2 -49.4 32.2 81.0 2.9 163 184 A F H X S+ 0 0 18 -4,-2.1 4,-2.2 -5,-0.4 6,-0.2 0.888 111.6 50.9 -70.4 -40.7 30.1 84.2 3.0 164 185 A A H X>S+ 0 0 8 -4,-2.4 5,-2.4 -5,-0.2 4,-0.6 0.925 114.0 47.7 -56.6 -46.7 32.6 86.2 0.7 165 186 A S H ><5S+ 0 0 8 -4,-2.3 3,-1.0 1,-0.2 10,-0.3 0.930 111.6 48.2 -56.9 -51.0 32.4 83.3 -1.8 166 187 A F H 3<5S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 113.7 47.5 -64.4 -34.5 28.6 83.0 -1.7 167 188 A A H 3<5S- 0 0 47 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.549 108.6-121.5 -81.6 -7.6 28.2 86.8 -2.2 168 189 A G T <<5 + 0 0 60 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.801 48.7 180.0 64.0 31.0 30.7 86.9 -5.1 169 190 A E < - 0 0 71 -5,-2.4 -1,-0.1 -6,-0.2 -5,-0.0 -0.135 32.0-102.0 -55.3 153.6 32.8 89.5 -3.1 170 191 A Q S S+ 0 0 187 1,-0.3 2,-0.1 0, 0.0 -1,-0.1 -0.978 112.0 34.1-116.6 113.0 36.0 91.0 -4.5 171 192 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.526 93.7 128.2 -82.6 149.2 38.3 89.5 -3.1 172 193 A S - 0 0 50 -4,-0.1 -11,-0.1 -2,-0.1 -10,-0.1 -0.978 58.9-105.7-157.4 159.7 37.0 85.9 -2.6 173 194 A V - 0 0 39 -2,-0.3 -5,-0.1 -12,-0.3 5,-0.1 -0.683 53.4 -99.1 -77.5 133.1 37.9 82.2 -3.3 174 195 A P >> - 0 0 86 0, 0.0 3,-2.7 0, 0.0 4,-1.3 -0.295 29.9-120.5 -50.3 136.1 35.8 80.8 -6.2 175 196 A E H >> S+ 0 0 76 -10,-0.3 3,-0.6 1,-0.3 4,-0.5 0.873 114.4 57.2 -49.1 -40.2 32.8 78.8 -4.8 176 197 A A H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.525 113.5 38.6 -70.0 -6.7 34.1 75.7 -6.6 177 198 A R H <> S+ 0 0 127 -3,-2.7 4,-2.0 2,-0.1 -1,-0.2 0.453 91.4 89.7-116.9 -10.2 37.5 75.9 -4.8 178 199 A V H S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 113.4 52.6 -57.6 -41.1 39.4 72.2 -0.8 181 202 A T H X S+ 0 0 44 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.960 112.8 41.9 -60.6 -54.6 40.9 75.6 0.4 182 203 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.909 112.6 53.9 -61.2 -44.8 39.4 75.4 3.9 183 204 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.887 107.4 50.5 -58.8 -44.1 40.1 71.7 4.4 184 205 A H H X S+ 0 0 122 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.912 112.5 46.8 -58.5 -46.6 43.9 72.0 3.5 185 206 A I H X S+ 0 0 62 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.855 114.6 47.3 -67.6 -38.3 44.2 74.9 6.1 186 207 A W H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.955 114.5 45.2 -66.7 -50.2 42.4 73.0 8.8 187 208 A V H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.931 115.1 45.4 -63.2 -48.3 44.3 69.7 8.3 188 209 A T H X S+ 0 0 70 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.888 116.4 45.9 -64.9 -39.0 47.8 71.3 8.1 189 210 A S H < S+ 0 0 39 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.806 117.4 43.2 -76.4 -29.3 47.2 73.6 11.2 190 211 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.868 128.4 26.7 -82.0 -36.3 45.6 70.8 13.3 191 212 A Y H < S+ 0 0 20 -4,-2.5 2,-0.2 -5,-0.2 -2,-0.2 0.625 95.4 108.1-103.3 -13.0 48.2 68.0 12.5 192 213 A G < - 0 0 24 -4,-1.8 -48,-0.0 -5,-0.3 -4,-0.0 -0.465 46.0-168.3 -77.3 128.2 51.3 70.1 11.6 193 214 A E 0 0 143 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.824 360.0 360.0 -76.4 -38.0 54.2 70.1 14.0 194 215 A N 0 0 215 -6,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 -0.931 360.0 360.0-168.8 360.0 55.3 73.0 11.8