==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 22-MAY-12 4AUX . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.ORTH,W.SAENGER,W.HINRICHS . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 69.1 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 2 0 0 1 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 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 2 A A 0 0 103 0, 0.0 2,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 146.3 11.7 20.8 7.3 2 3 A R - 0 0 179 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.472 360.0-153.3 -68.7 145.7 9.1 22.7 9.3 3 4 A L + 0 0 24 -2,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.129 44.2 123.9-122.9 43.8 10.1 26.4 9.8 4 5 A N S > S- 0 0 48 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.391 77.3 -93.4 -86.0 177.0 8.6 27.7 13.0 5 6 A R H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.926 124.1 50.1 -55.9 -50.2 10.5 29.2 15.9 6 7 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 112.3 46.8 -58.1 -48.1 10.9 25.9 17.8 7 8 A S H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.833 111.4 50.6 -62.6 -39.2 12.1 24.0 14.8 8 9 A V H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.884 111.8 47.6 -65.2 -43.0 14.7 26.7 13.8 9 10 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.932 109.9 53.0 -64.7 -45.6 16.1 26.8 17.3 10 11 A D H X S+ 0 0 72 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.911 113.2 43.5 -56.6 -45.3 16.4 23.0 17.4 11 12 A A H X S+ 0 0 11 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.846 111.9 54.2 -70.3 -34.2 18.3 22.9 14.2 12 13 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.845 109.0 48.3 -68.0 -36.3 20.5 25.9 15.2 13 14 A L H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.903 110.0 50.5 -70.0 -47.5 21.5 24.1 18.5 14 15 A E H X S+ 0 0 108 -4,-1.9 4,-1.8 -5,-0.2 3,-0.3 0.936 112.1 49.4 -52.6 -45.3 22.3 20.9 16.7 15 16 A L H X S+ 0 0 6 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.860 103.8 59.0 -64.0 -39.8 24.5 23.1 14.3 16 17 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.844 106.4 48.4 -57.1 -38.5 26.2 24.8 17.2 17 18 A N H < S+ 0 0 72 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.935 114.4 46.0 -68.0 -44.5 27.4 21.4 18.4 18 19 A E H < S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.910 133.4 12.2 -61.7 -50.9 28.7 20.4 15.0 19 20 A T H X S- 0 0 40 -4,-2.8 4,-0.8 1,-0.1 -3,-0.2 0.537 95.9-131.5-108.1 -12.6 30.5 23.7 14.0 20 21 A G T < - 0 0 0 -4,-1.8 -1,-0.1 -5,-0.4 74,-0.1 -0.034 45.0 -61.4 72.0 175.2 30.7 25.8 17.2 21 22 A I T >4 S+ 0 0 25 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.841 132.1 55.0 -64.1 -36.3 29.8 29.5 17.5 22 23 A D T 34 S+ 0 0 118 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.922 112.9 41.9 -66.7 -41.1 32.4 30.8 14.9 23 24 A G T 3< S+ 0 0 17 -4,-0.8 2,-1.0 -7,-0.1 -1,-0.2 0.101 82.7 110.9 -96.4 22.1 31.1 28.4 12.2 24 25 A L < + 0 0 0 -3,-1.0 2,-0.3 -5,-0.1 -8,-0.1 -0.811 47.6 166.0 -94.2 95.1 27.4 28.9 12.9 25 26 A T > - 0 0 47 -2,-1.0 4,-1.8 1,-0.1 5,-0.1 -0.775 50.4-122.6-108.3 155.6 26.3 30.8 9.7 26 27 A T H > S+ 0 0 51 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.869 114.0 57.3 -55.8 -38.8 22.9 31.6 8.2 27 28 A R H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.957 108.8 43.5 -57.8 -54.4 24.1 29.9 5.0 28 29 A K H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.812 110.7 55.5 -64.9 -30.9 24.8 26.7 6.8 29 30 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.944 107.9 48.9 -68.6 -41.3 21.6 26.9 8.7 30 31 A A H <>S+ 0 0 2 -4,-2.6 5,-3.2 1,-0.2 4,-0.3 0.919 112.9 47.5 -60.9 -46.2 19.6 27.2 5.4 31 32 A Q H ><5S+ 0 0 154 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.887 110.3 53.3 -58.3 -40.2 21.5 24.1 4.0 32 33 A K H 3<5S+ 0 0 67 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 113.1 42.2 -63.7 -40.1 20.8 22.2 7.2 33 34 A L T 3<5S- 0 0 14 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.366 114.6-116.4 -87.3 3.5 17.1 22.9 7.0 34 35 A G T < 5S+ 0 0 68 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.841 73.0 121.1 65.5 37.6 17.0 22.2 3.2 35 36 A I < - 0 0 32 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.896 65.5-107.1-129.9 160.4 16.0 25.7 2.2 36 37 A E > - 0 0 150 -2,-0.3 4,-1.2 -3,-0.1 3,-0.2 -0.318 40.1-109.9 -71.0 164.5 17.2 28.6 0.1 37 38 A Q H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 113.4 56.4 -73.9 -39.8 18.6 31.6 1.9 38 39 A P H > S+ 0 0 104 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.829 105.5 56.7 -64.8 -21.8 15.9 34.2 1.2 39 40 A T H > S+ 0 0 62 2,-0.2 4,-0.7 -3,-0.2 -2,-0.2 0.906 107.7 46.0 -68.8 -43.6 13.5 31.6 2.8 40 41 A L H >X S+ 0 0 5 -4,-1.2 4,-3.0 1,-0.2 3,-1.3 0.919 104.4 62.9 -62.9 -43.2 15.5 31.5 6.0 41 42 A Y H 3< S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 94.5 61.1 -53.3 -38.8 15.7 35.3 6.1 42 43 A W H 3< S+ 0 0 191 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.901 117.8 31.0 -49.9 -40.5 11.9 35.5 6.4 43 44 A H H << S+ 0 0 73 -3,-1.3 2,-0.4 -4,-0.7 -2,-0.2 0.833 130.5 26.4 -92.2 -40.8 12.3 33.7 9.6 44 45 A V < - 0 0 16 -4,-3.0 -1,-0.3 1,-0.1 3,-0.1 -0.992 61.1-164.1-134.2 125.9 15.6 34.7 11.0 45 46 A K - 0 0 104 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.879 62.0 -23.0 -87.4 -37.2 17.1 38.1 10.1 46 47 A N > - 0 0 76 1,-0.1 4,-1.7 -21,-0.0 -1,-0.2 -0.935 67.4 -86.4-161.2 178.7 20.8 37.7 11.1 47 48 A K H > S+ 0 0 76 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.900 118.2 56.4 -64.9 -43.0 23.3 36.0 13.3 48 49 A R H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 107.0 48.7 -57.6 -48.2 22.8 38.2 16.3 49 50 A A H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 112.2 50.6 -59.0 -44.6 19.1 37.6 16.5 50 51 A L H X S+ 0 0 4 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.926 111.8 46.0 -53.8 -51.6 19.8 33.9 16.3 51 52 A L H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.835 109.1 54.7 -65.0 -38.0 22.4 33.9 19.0 52 53 A D H X S+ 0 0 71 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.900 110.7 46.9 -65.0 -38.7 20.2 36.0 21.3 53 54 A A H X S+ 0 0 21 -4,-1.8 4,-3.0 -5,-0.2 3,-0.3 0.911 110.5 51.6 -69.0 -42.5 17.4 33.5 21.0 54 55 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.923 105.5 56.6 -59.5 -42.7 19.8 30.6 21.6 55 56 A A H X S+ 0 0 5 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.860 112.2 41.7 -56.4 -37.5 21.1 32.2 24.7 56 57 A V H X S+ 0 0 17 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.913 114.1 51.3 -79.4 -43.5 17.6 32.4 26.1 57 58 A E H X S+ 0 0 33 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.857 103.2 57.2 -61.5 -43.4 16.6 28.9 25.0 58 59 A I H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.951 112.8 41.7 -54.3 -48.4 19.5 27.1 26.5 59 60 A L H X S+ 0 0 19 -4,-1.0 4,-2.2 -5,-0.3 -2,-0.2 0.918 113.6 52.5 -66.2 -41.3 18.6 28.5 29.9 60 61 A A H < S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.4 38.2 -59.6 -42.1 14.9 27.9 29.5 61 62 A R H < S+ 0 0 94 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.872 133.5 16.6 -80.1 -39.8 15.5 24.2 28.5 62 63 A H H < S+ 0 0 41 -4,-2.5 2,-1.0 -5,-0.3 -3,-0.2 0.540 97.2 88.3-117.9 -8.1 18.3 23.2 30.9 63 64 A H < + 0 0 25 -4,-2.2 3,-0.3 -5,-0.4 -1,-0.1 -0.801 46.0 160.9 -96.9 97.2 18.7 25.7 33.8 64 65 A D + 0 0 140 -2,-1.0 3,-0.2 1,-0.2 -1,-0.2 0.454 57.5 64.6-104.7 -3.7 16.2 24.3 36.2 65 66 A Y + 0 0 65 16,-0.2 -1,-0.2 1,-0.1 20,-0.2 -0.378 58.4 125.0-112.2 54.6 17.3 25.9 39.5 66 67 A S + 0 0 33 -3,-0.3 -1,-0.1 18,-0.1 -2,-0.1 0.701 67.2 52.5 -84.0 -18.3 16.4 29.4 38.7 67 68 A L S S- 0 0 84 -3,-0.2 2,-0.1 47,-0.0 45,-0.0 -0.876 85.5-111.5-118.9 149.2 14.2 29.9 41.7 68 69 A P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.445 33.4-121.8 -67.4 148.9 14.6 29.4 45.5 69 70 A A > - 0 0 52 1,-0.1 3,-2.0 4,-0.1 2,-0.2 -0.460 48.4 -68.7 -84.1 165.5 12.6 26.6 47.1 70 71 A A T 3 S- 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.367 120.1 -2.4 -56.1 119.5 10.2 27.2 50.0 71 72 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.651 92.2 154.9 76.9 17.3 12.3 28.3 53.1 72 73 A E < - 0 0 25 -3,-2.0 -1,-0.2 1,-0.1 2,-0.1 -0.570 44.2-116.9 -80.3 138.8 15.6 27.8 51.4 73 74 A S > - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.370 19.3-119.4 -68.4 153.6 18.6 29.8 52.7 74 75 A W H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.841 114.9 56.6 -62.7 -34.2 20.3 32.4 50.5 75 76 A Q H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.971 109.6 44.0 -56.9 -55.9 23.5 30.5 50.8 76 77 A S H > S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.913 111.5 52.9 -58.7 -45.5 21.9 27.3 49.5 77 78 A F H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.931 109.0 49.3 -58.7 -46.3 20.0 29.1 46.7 78 79 A L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.861 112.6 48.4 -60.6 -37.0 23.2 30.7 45.4 79 80 A R H X S+ 0 0 76 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.965 115.7 42.0 -68.4 -52.2 25.1 27.4 45.4 80 81 A N H X S+ 0 0 47 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.838 115.2 50.6 -63.7 -40.2 22.4 25.4 43.7 81 82 A N H X S+ 0 0 21 -4,-2.8 4,-3.0 -5,-0.3 -1,-0.2 0.886 109.8 50.2 -67.8 -42.4 21.7 28.2 41.2 82 83 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.946 111.4 49.1 -60.8 -45.9 25.4 28.4 40.4 83 84 A M H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.926 113.1 46.9 -60.0 -44.7 25.6 24.7 39.8 84 85 A S H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.951 110.5 51.7 -61.9 -49.0 22.5 24.8 37.6 85 86 A F H X S+ 0 0 15 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.922 109.7 51.8 -53.3 -44.6 23.8 27.7 35.6 86 87 A R H X S+ 0 0 14 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.933 108.0 49.0 -60.1 -49.7 27.1 25.9 35.0 87 88 A R H X S+ 0 0 150 -4,-2.1 4,-1.1 1,-0.2 3,-0.2 0.930 110.3 51.6 -55.4 -47.3 25.5 22.7 33.7 88 89 A A H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.3 3,-0.4 0.870 109.5 48.4 -62.2 -41.5 23.3 24.6 31.3 89 90 A L H >< S+ 0 0 3 -4,-2.0 3,-0.6 -5,-0.2 7,-0.4 0.841 111.5 52.8 -61.8 -34.2 26.2 26.5 29.8 90 91 A L H 3< S+ 0 0 46 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.670 87.3 80.1 -77.9 -20.8 28.2 23.2 29.5 91 92 A R T 3< S+ 0 0 162 -4,-1.1 2,-0.4 -3,-0.4 -1,-0.2 0.756 95.7 43.8 -67.4 -24.3 25.5 21.3 27.6 92 93 A Y S X S- 0 0 23 -3,-0.6 3,-2.2 -4,-0.4 4,-0.3 -0.942 93.4 -99.8-122.2 145.1 26.4 22.9 24.2 93 94 A R T 3 S+ 0 0 114 -2,-0.4 -74,-0.1 1,-0.3 -73,-0.1 -0.316 112.7 4.3 -49.8 134.8 29.7 23.7 22.5 94 95 A D T 3> S+ 0 0 6 -74,-0.1 4,-1.8 1,-0.1 -1,-0.3 0.751 89.3 144.1 55.9 26.5 30.6 27.4 23.0 95 96 A G H <> + 0 0 3 -3,-2.2 4,-1.6 -6,-0.3 3,-0.2 0.937 69.2 49.1 -62.1 -45.5 27.5 27.6 25.3 96 97 A A H > S+ 0 0 0 -7,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.884 110.0 51.7 -59.7 -40.7 29.2 30.0 27.6 97 98 A K H 4 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.805 104.6 57.2 -69.2 -28.8 30.3 32.2 24.7 98 99 A V H < S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 108.5 47.8 -65.4 -35.7 26.7 32.2 23.4 99 100 A H H >< S+ 0 0 37 -4,-1.6 3,-2.1 -5,-0.1 -2,-0.2 0.879 86.7 112.3 -68.4 -40.9 25.6 33.7 26.8 100 101 A L T 3< S+ 0 0 80 -4,-1.7 3,-0.1 1,-0.3 -45,-0.0 -0.059 83.5 8.8 -48.1 127.3 28.3 36.4 26.9 101 102 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.242 96.1 126.7 91.3 -9.1 27.2 40.0 26.6 102 103 A T < - 0 0 35 -3,-2.1 -1,-0.3 -4,-0.1 -3,-0.0 -0.341 43.9-154.6 -77.1 160.2 23.5 39.2 26.9 103 104 A R - 0 0 215 -3,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.858 45.1 -63.8-123.1 162.9 21.1 40.8 29.4 104 105 A P - 0 0 60 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.188 55.1-133.1 -49.9 131.4 17.9 39.3 30.7 105 106 A D >> - 0 0 59 1,-0.1 3,-1.9 -53,-0.1 4,-0.8 -0.461 25.6-104.6 -76.4 156.9 15.3 38.8 28.0 106 107 A E G >4 S+ 0 0 148 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.900 124.5 59.4 -42.0 -45.1 11.6 39.8 28.4 107 108 A K G 34 S+ 0 0 169 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.708 108.1 45.8 -61.0 -22.0 10.9 36.0 29.0 108 109 A Q G <> S+ 0 0 39 -3,-1.9 4,-2.3 1,-0.1 5,-0.3 0.464 82.5 98.9-103.5 -3.8 13.3 36.1 31.9 109 110 A Y H S+ 0 0 133 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.868 115.0 49.5 -52.6 -43.7 9.8 37.7 36.4 111 112 A T H > S+ 0 0 45 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 113.6 43.0 -61.7 -52.6 12.4 35.1 37.2 112 113 A V H X S+ 0 0 44 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.839 112.8 53.6 -67.3 -34.5 15.4 37.6 37.6 113 114 A E H X S+ 0 0 106 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.925 106.4 52.8 -62.3 -46.9 13.2 40.1 39.6 114 115 A T H X S+ 0 0 54 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.891 106.2 54.0 -58.2 -40.5 12.2 37.3 42.0 115 116 A Q H X S+ 0 0 23 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.891 111.2 45.4 -61.3 -39.4 15.9 36.5 42.6 116 117 A L H X S+ 0 0 36 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.906 113.7 48.0 -70.5 -43.2 16.6 40.2 43.4 117 118 A R H X S+ 0 0 120 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.920 108.7 56.9 -60.6 -42.8 13.6 40.4 45.7 118 119 A F H X S+ 0 0 27 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.889 106.5 46.9 -58.3 -44.7 14.6 37.2 47.4 119 120 A M H ><>S+ 0 0 0 -4,-1.6 5,-1.8 1,-0.2 3,-1.0 0.907 111.9 51.0 -62.9 -40.8 18.1 38.5 48.4 120 121 A T H ><5S+ 0 0 56 -4,-1.8 3,-1.7 1,-0.3 -2,-0.2 0.877 104.3 57.0 -70.2 -34.5 16.7 41.8 49.7 121 122 A E H 3<5S+ 0 0 128 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.671 102.8 57.1 -62.9 -21.5 14.2 39.9 51.9 122 123 A N T <<5S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.195 133.0 -87.2 -96.5 14.2 17.1 38.1 53.4 123 124 A G T < 5S+ 0 0 57 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.505 85.6 130.2 96.2 5.1 18.7 41.4 54.5 124 125 A F < - 0 0 15 -5,-1.8 -1,-0.3 4,-0.0 2,-0.1 -0.724 58.7-123.7 -81.6 140.9 20.8 42.4 51.5 125 126 A S > - 0 0 57 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.440 35.3-106.2 -62.9 156.1 20.5 45.9 50.1 126 127 A L H > S+ 0 0 108 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.942 122.7 54.6 -49.3 -42.7 19.4 45.7 46.4 127 128 A R H > S+ 0 0 161 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 110.4 39.4 -62.3 -51.3 23.0 46.7 45.7 128 129 A D H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 115.0 55.1 -71.4 -35.2 24.8 44.0 47.7 129 130 A G H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.903 109.2 47.6 -57.1 -45.7 22.2 41.5 46.5 130 131 A L H X S+ 0 0 78 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.907 112.7 49.4 -57.1 -46.6 23.1 42.5 42.9 131 132 A Y H X S+ 0 0 129 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.865 110.5 49.2 -65.7 -40.0 26.8 42.2 43.6 132 133 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.982 114.3 45.6 -61.7 -54.9 26.5 38.8 45.1 133 134 A I H X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.886 114.8 48.4 -53.3 -43.5 24.4 37.6 42.2 134 135 A S H X S+ 0 0 36 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.898 108.4 52.6 -68.7 -39.6 26.8 39.2 39.7 135 136 A A H X S+ 0 0 32 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.916 109.9 48.6 -65.9 -41.3 29.9 37.7 41.3 136 137 A V H X S+ 0 0 5 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.915 112.7 49.1 -59.9 -42.7 28.5 34.2 41.2 137 138 A S H X S+ 0 0 34 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.925 115.1 43.2 -64.0 -45.1 27.5 34.7 37.5 138 139 A H H X S+ 0 0 125 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.919 112.5 50.7 -69.9 -46.4 31.0 36.0 36.6 139 140 A F H X S+ 0 0 66 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.931 115.3 45.8 -51.5 -47.7 32.9 33.4 38.5 140 141 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.896 112.1 47.8 -69.1 -45.6 30.8 30.8 36.9 141 142 A L H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.898 112.6 50.8 -57.5 -45.2 31.0 32.1 33.3 142 143 A G H X S+ 0 0 34 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.894 109.4 49.6 -62.7 -44.0 34.8 32.5 33.6 143 144 A A H X S+ 0 0 36 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.930 114.7 44.0 -60.8 -48.1 35.4 29.0 34.9 144 145 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.873 111.7 53.0 -66.2 -41.0 33.3 27.4 32.1 145 146 A L H X S+ 0 0 35 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.912 104.9 54.0 -64.6 -41.9 34.8 29.6 29.4 146 147 A E H X S+ 0 0 150 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.874 115.7 39.8 -63.0 -36.8 38.4 28.8 30.2 147 148 A Q H X S+ 0 0 46 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.921 113.4 51.8 -82.1 -40.6 37.7 25.1 29.9 148 149 A Q H X S+ 0 0 19 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.917 119.0 38.7 -58.2 -40.5 35.3 25.2 26.9 149 150 A E H X S+ 0 0 61 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.806 110.9 57.7 -80.1 -34.5 38.0 27.2 25.0 150 151 A H H X S+ 0 0 73 -4,-1.7 4,-0.6 -5,-0.3 -2,-0.2 0.959 110.2 44.8 -58.0 -48.9 41.0 25.3 26.3 151 152 A T H < S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.790 113.7 51.9 -67.1 -26.2 39.4 22.1 25.0 152 153 A A H >< S+ 0 0 40 -4,-0.9 3,-1.1 -5,-0.2 4,-0.4 0.925 110.3 45.1 -73.8 -49.2 38.6 23.9 21.6 153 154 A A H 3X S+ 0 0 21 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.478 89.1 90.5 -74.4 -4.7 42.1 25.3 21.0 154 155 A L T 3< S+ 0 0 102 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.700 84.2 56.3 -63.0 -20.4 43.5 21.9 21.9 155 156 A T T <4 S+ 0 0 109 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.966 116.0 29.4 -72.6 -55.5 43.2 21.0 18.2 156 157 A D T 4 S+ 0 0 144 -4,-0.4 -2,-0.2 3,-0.0 -3,-0.1 0.925 102.5 83.5 -76.4 -49.6 45.3 23.9 16.7 157 158 A R S < S- 0 0 140 -4,-2.1 3,-0.0 1,-0.1 0, 0.0 -0.178 86.3-116.0 -58.5 146.9 47.8 24.6 19.4 158 159 A P - 0 0 132 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.959 46.0-120.0 -42.3 -70.9 51.0 22.4 19.6 159 160 A A - 0 0 81 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.570 48.6 -56.5 162.2 -89.3 50.2 20.9 23.1 160 161 A A - 0 0 47 -2,-0.1 3,-0.1 1,-0.1 0, 0.0 -0.761 29.5-128.2 177.5 133.1 52.8 21.5 25.9 161 162 A P + 0 0 93 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.931 31.9 178.1 -51.2 -52.6 56.5 20.9 26.4 162 163 A D + 0 0 91 1,-0.2 3,-0.4 2,-0.0 8,-0.0 -0.021 66.2 75.3 67.8 -31.6 56.1 19.1 29.8 163 164 A E S S+ 0 0 172 -2,-1.1 2,-0.2 1,-0.2 -1,-0.2 0.995 98.7 35.4 -69.9 -70.2 59.9 18.6 29.8 164 165 A N S S+ 0 0 136 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.108 89.8 127.9 -78.9 25.8 61.2 22.1 30.8 165 166 A L - 0 0 34 -3,-0.4 0, 0.0 -2,-0.2 0, 0.0 -0.610 65.2-115.7 -73.6 137.7 58.2 22.7 33.1 166 167 A P > - 0 0 73 0, 0.0 4,-2.5 0, 0.0 5,-0.1 -0.399 32.8-110.6 -65.9 157.4 58.9 23.9 36.6 167 168 A P H > S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.809 110.9 43.0 -70.5 -38.7 57.8 21.3 39.3 168 169 A L H > S+ 0 0 141 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.925 116.8 48.1 -71.1 -44.6 54.8 23.1 41.0 169 170 A L H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 110.4 53.9 -59.7 -43.6 53.4 24.4 37.7 170 171 A R H X S+ 0 0 89 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.922 113.4 40.9 -56.3 -49.6 53.8 20.8 36.2 171 172 A E H X S+ 0 0 110 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.841 110.3 59.9 -70.7 -31.2 51.8 19.3 39.1 172 173 A A H X S+ 0 0 43 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.945 105.7 47.7 -56.4 -47.4 49.4 22.3 38.9 173 174 A L H X S+ 0 0 69 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.879 108.7 53.6 -65.8 -40.0 48.5 21.4 35.2 174 175 A Q H < S+ 0 0 125 -4,-1.6 -1,-0.2 -5,-0.2 4,-0.2 0.869 110.4 49.6 -58.8 -36.9 48.0 17.7 36.1 175 176 A I H >< S+ 0 0 92 -4,-1.7 3,-0.8 2,-0.2 4,-0.4 0.905 111.3 45.3 -72.2 -43.5 45.6 18.8 38.8 176 177 A M H >< S+ 0 0 108 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.879 114.1 50.3 -68.7 -37.3 43.4 21.2 36.6 177 178 A D T 3< S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.470 88.8 87.5 -76.8 -4.0 43.3 18.6 33.8 178 179 A S T < S- 0 0 88 -3,-0.8 2,-0.2 -4,-0.2 -1,-0.2 0.881 104.3 -9.1 -59.3 -41.5 42.2 15.9 36.4 179 180 A D S < S- 0 0 53 -3,-0.6 0, 0.0 -4,-0.4 0, 0.0 -0.708 96.8 -63.2-143.0-172.0 38.5 16.8 35.9 180 181 A D S S- 0 0 82 -2,-0.2 -4,-0.1 1,-0.2 -3,-0.0 0.775 79.3 -95.1 -43.7 -27.9 36.1 19.3 34.4 181 182 A G S > S+ 0 0 15 -6,-0.1 4,-1.7 -34,-0.0 -1,-0.2 0.243 95.7 130.4 98.5 3.2 37.5 22.0 36.6 182 183 A E H > + 0 0 68 2,-0.2 4,-3.1 1,-0.2 3,-0.4 0.956 63.3 50.5 -58.6 -57.1 34.5 21.0 38.7 183 184 A Q H > S+ 0 0 146 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.934 113.1 46.1 -43.9 -58.0 36.5 20.5 42.0 184 185 A A H > S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.756 113.5 50.2 -61.3 -33.0 38.1 24.0 41.6 185 186 A F H X S+ 0 0 3 -4,-1.7 4,-2.3 -3,-0.4 -1,-0.2 0.919 111.5 46.5 -70.4 -47.4 34.8 25.5 40.8 186 187 A L H X S+ 0 0 58 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.896 115.0 46.9 -67.5 -37.5 32.9 24.0 43.7 187 188 A H H X S+ 0 0 142 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.863 113.5 47.7 -67.0 -38.9 35.7 25.0 46.2 188 189 A G H X S+ 0 0 23 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.840 107.7 57.9 -73.9 -34.0 35.9 28.5 44.8 189 190 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.903 104.6 50.5 -58.7 -42.1 32.1 28.8 45.0 190 191 A E H X S+ 0 0 78 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.897 108.0 52.2 -67.4 -37.2 32.2 28.0 48.7 191 192 A S H X S+ 0 0 77 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.912 109.8 50.1 -60.8 -44.1 34.8 30.7 49.4 192 193 A L H X S+ 0 0 44 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.915 111.2 47.4 -62.1 -45.6 32.7 33.2 47.6 193 194 A I H X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 111.2 50.2 -63.8 -44.9 29.5 32.4 49.5 194 195 A R H X S+ 0 0 152 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.840 107.9 54.8 -64.5 -35.1 31.2 32.5 52.9 195 196 A G H X S+ 0 0 42 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.879 107.0 49.5 -66.6 -40.1 32.7 35.9 52.1 196 197 A F H X S+ 0 0 36 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.859 110.4 52.2 -61.7 -37.3 29.2 37.3 51.3 197 198 A E H X S+ 0 0 53 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.897 107.9 49.8 -67.0 -40.8 28.0 35.8 54.6 198 199 A V H X S+ 0 0 73 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.933 112.7 48.5 -64.0 -40.7 30.8 37.5 56.5 199 200 A Q H X S+ 0 0 106 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.895 114.6 44.0 -63.2 -45.5 30.0 40.9 54.8 200 201 A L H >< S+ 0 0 45 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.962 113.3 50.9 -65.1 -51.8 26.3 40.6 55.5 201 202 A T H 3< S+ 0 0 99 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.877 101.6 60.5 -51.8 -47.7 26.7 39.5 59.1 202 203 A A H >< S+ 0 0 13 -4,-1.9 3,-2.1 -5,-0.2 2,-0.3 0.751 76.3 176.5 -60.2 -28.3 29.1 42.2 60.1 203 204 A L T << S- 0 0 145 -3,-1.0 -1,-0.2 -4,-0.7 4,-0.1 -0.444 72.3 -13.8 61.9-120.1 26.6 45.1 59.4 204 205 A L T 3 S+ 0 0 172 -2,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.324 110.5 114.8 -93.3 1.2 28.1 48.5 60.3 205 206 A Q S < S- 0 0 153 -3,-2.1 2,-0.5 -4,-0.1 -3,-0.0 -0.403 79.4-103.8 -69.0 149.5 30.9 46.8 62.3 206 207 A I 0 0 172 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.664 360.0 360.0 -73.8 128.4 34.5 47.1 61.1 207 208 A V 0 0 132 -2,-0.5 -1,-0.2 -4,-0.1 -3,-0.0 0.496 360.0 360.0-140.7 360.0 35.4 43.9 59.4