==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 30-AUG-10 2XPS . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.DALM,N.MATTHES,G.J.PALM,W.HINRICHS . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 70.5 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 59.9 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 1 1 0 1 0 0 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 1 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 S 0 0 103 0, 0.0 32,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-175.2 12.0 20.1 5.6 2 3 A R - 0 0 170 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.314 360.0-165.6 -66.4 138.2 9.6 21.8 8.1 3 4 A L + 0 0 28 4,-0.1 -1,-0.1 5,-0.0 2,-0.1 -0.088 38.1 129.4-125.7 34.1 10.3 25.4 8.9 4 5 A N S > S- 0 0 42 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.384 77.2 -97.6 -69.5 169.2 8.3 26.2 12.0 5 6 A R H > S+ 0 0 144 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.915 123.8 53.5 -56.5 -44.9 10.2 27.8 14.8 6 7 A E H > S+ 0 0 121 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.914 112.3 42.9 -57.6 -47.0 10.7 24.5 16.6 7 8 A S H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 112.2 52.6 -73.7 -33.5 12.2 22.8 13.5 8 9 A V H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.945 113.7 44.3 -61.6 -49.3 14.4 25.7 12.6 9 10 A I H X S+ 0 0 4 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.945 110.8 55.5 -58.0 -46.9 15.7 25.7 16.1 10 11 A D H X S+ 0 0 59 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.915 112.5 42.7 -48.6 -49.4 16.0 21.9 16.0 11 12 A A H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.898 112.4 51.2 -71.0 -43.8 18.2 22.1 12.9 12 13 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.884 110.9 50.6 -60.1 -38.1 20.2 25.0 14.1 13 14 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.901 110.8 47.8 -66.7 -43.0 20.9 23.1 17.3 14 15 A E H X S+ 0 0 99 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.936 114.0 48.0 -57.7 -46.8 22.0 20.0 15.4 15 16 A L H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.905 110.2 51.7 -65.5 -38.0 24.2 22.3 13.2 16 17 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.939 110.5 47.8 -62.3 -43.2 25.6 24.0 16.3 17 18 A N H < S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.798 116.3 45.2 -71.0 -26.0 26.5 20.6 17.8 18 19 A E H < S+ 0 0 100 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.853 134.2 9.2 -82.5 -42.9 28.1 19.4 14.5 19 20 A T H X S- 0 0 62 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.265 98.1-126.4-129.0 6.1 30.2 22.4 13.5 20 21 A G H >X - 0 0 0 -4,-2.3 3,-1.2 -5,-0.3 4,-0.7 -0.015 55.2 -44.2 71.0-177.3 30.1 24.8 16.5 21 22 A I H >4 S+ 0 0 23 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.812 136.9 57.9 -62.4 -29.2 29.1 28.5 16.5 22 23 A D H 34 S+ 0 0 135 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.790 100.8 58.5 -68.9 -26.3 31.1 29.2 13.3 23 24 A G H << S+ 0 0 11 -3,-1.2 2,-2.0 -4,-0.7 -1,-0.2 0.671 80.3 93.5 -75.2 -15.8 29.1 26.5 11.5 24 25 A L << + 0 0 1 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.1 -0.561 57.7 140.0 -80.2 77.4 25.9 28.3 12.2 25 26 A T > - 0 0 57 -2,-2.0 4,-2.9 1,-0.1 5,-0.2 -0.851 65.5-112.8-115.2 159.2 25.8 30.3 8.9 26 27 A T H > S+ 0 0 35 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.943 117.8 49.1 -51.8 -50.3 22.8 31.1 6.7 27 28 A R H > S+ 0 0 158 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 112.7 44.3 -60.1 -46.6 24.2 28.9 4.0 28 29 A K H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 114.2 50.4 -74.6 -34.2 24.9 25.9 6.2 29 30 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.929 110.7 48.9 -67.2 -42.7 21.6 26.2 7.9 30 31 A A H X>S+ 0 0 3 -4,-2.9 5,-2.6 -5,-0.2 4,-0.8 0.932 111.0 50.8 -59.8 -44.0 19.8 26.4 4.6 31 32 A Q H ><5S+ 0 0 139 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.939 110.6 48.9 -61.3 -45.4 21.7 23.3 3.4 32 33 A K H 3<5S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.1 47.5 -56.3 -42.4 20.7 21.4 6.6 33 34 A L H 3<5S- 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.526 113.0-119.8 -78.7 -10.7 17.1 22.3 6.2 34 35 A G T <<5S+ 0 0 64 -3,-1.0 2,-0.3 -4,-0.8 -3,-0.2 0.802 72.2 118.2 77.2 30.5 17.1 21.4 2.5 35 36 A I < - 0 0 31 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.828 67.7-104.4-129.3 164.0 16.2 24.9 1.4 36 37 A E > - 0 0 143 -2,-0.3 4,-1.6 -3,-0.1 3,-0.3 -0.484 40.9-111.0 -78.1 160.0 17.4 27.8 -0.6 37 38 A Q H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 114.1 56.3 -68.4 -39.2 18.7 30.8 1.3 38 39 A P H > S+ 0 0 98 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.885 106.7 53.6 -62.6 -31.1 15.8 33.3 0.4 39 40 A T H >> S+ 0 0 61 -3,-0.3 4,-0.9 1,-0.2 3,-0.6 0.940 109.3 47.0 -62.5 -47.6 13.4 30.7 1.9 40 41 A L H >X S+ 0 0 2 -4,-1.6 4,-2.7 1,-0.2 3,-1.0 0.919 105.5 59.4 -60.6 -43.0 15.5 30.6 5.1 41 42 A Y H 3< S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.710 96.2 62.7 -62.6 -23.3 15.6 34.5 5.3 42 43 A W H << S+ 0 0 195 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.899 118.2 28.1 -62.2 -40.2 11.7 34.5 5.4 43 44 A H H << S+ 0 0 75 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.761 130.5 34.1 -92.4 -33.8 11.9 32.6 8.7 44 45 A V < - 0 0 19 -4,-2.7 -1,-0.3 -5,-0.1 3,-0.1 -0.928 60.7-171.3-135.1 105.3 15.3 33.7 10.1 45 46 A K - 0 0 128 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.846 65.9 -16.9 -68.6 -35.6 16.5 37.3 9.4 46 47 A N > - 0 0 81 1,-0.1 4,-1.5 -20,-0.0 3,-0.3 -0.981 68.3 -92.9-164.9 169.0 20.0 37.0 10.7 47 48 A K H > S+ 0 0 84 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.873 117.6 56.9 -60.5 -44.0 22.4 35.1 12.9 48 49 A R H > S+ 0 0 118 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.893 105.0 50.6 -52.3 -45.1 21.8 37.1 16.0 49 50 A A H > S+ 0 0 45 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.894 113.8 47.3 -64.1 -36.4 18.0 36.4 16.0 50 51 A L H X S+ 0 0 12 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.937 110.7 50.1 -70.5 -46.0 18.9 32.7 15.6 51 52 A L H X S+ 0 0 15 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.904 109.8 51.6 -59.6 -42.7 21.5 32.8 18.4 52 53 A D H X S+ 0 0 62 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.898 111.0 47.3 -60.9 -42.3 19.0 34.5 20.7 53 54 A A H X S+ 0 0 13 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.883 111.3 51.5 -68.6 -41.9 16.4 31.8 20.0 54 55 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.911 105.1 55.2 -60.3 -40.7 18.9 29.1 20.6 55 56 A A H X S+ 0 0 5 -4,-2.3 4,-1.2 43,-0.3 -2,-0.2 0.933 112.8 44.2 -59.6 -41.5 20.0 30.5 23.9 56 57 A V H X S+ 0 0 18 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.901 114.8 46.7 -68.8 -45.8 16.4 30.3 25.0 57 58 A E H X S+ 0 0 45 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.815 103.5 61.7 -72.3 -30.7 15.6 26.9 23.7 58 59 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.934 110.6 41.3 -60.7 -39.7 18.8 25.3 25.1 59 60 A L H X S+ 0 0 20 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.903 112.0 55.9 -75.5 -36.9 17.5 26.2 28.6 60 61 A A H < S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.0 39.4 -54.7 -43.8 13.9 25.1 27.6 61 62 A R H < S+ 0 0 81 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.872 135.2 9.2 -72.6 -41.3 15.2 21.7 26.6 62 63 A H H < S+ 0 0 67 -4,-2.0 2,-1.0 -5,-0.2 -3,-0.2 0.330 92.9 98.6-135.7 0.2 17.8 20.8 29.2 63 64 A H < + 0 0 29 -4,-2.2 3,-0.2 -5,-0.2 22,-0.1 -0.809 42.7 165.6 -95.7 92.1 17.8 23.3 32.1 64 65 A D + 0 0 115 -2,-1.0 2,-0.2 1,-0.2 -1,-0.1 0.359 58.6 58.1 -97.6 3.6 15.7 21.3 34.5 65 66 A Y + 0 0 62 16,-0.2 -1,-0.2 15,-0.1 19,-0.2 -0.592 58.0 131.6-130.5 75.4 16.3 23.2 37.8 66 67 A S + 0 0 33 -3,-0.2 49,-0.1 -2,-0.2 -1,-0.1 0.492 64.8 48.2-104.2 -7.5 15.2 26.7 37.2 67 68 A L S S- 0 0 78 -3,-0.1 -1,-0.1 47,-0.1 2,-0.1 -0.985 86.7-104.3-135.0 148.7 13.0 27.2 40.3 68 69 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.412 34.6-119.2 -70.4 143.5 13.6 26.5 44.0 69 70 A A > - 0 0 51 1,-0.2 3,-2.3 4,-0.1 2,-0.1 -0.293 52.1 -68.1 -68.0 164.6 11.9 23.5 45.7 70 71 A A T 3 S- 0 0 106 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.360 120.9 -3.5 -59.5 125.2 9.5 24.1 48.4 71 72 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.584 94.2 159.5 69.0 12.3 11.3 25.4 51.5 72 73 A E < - 0 0 20 -3,-2.3 -1,-0.2 1,-0.1 2,-0.0 -0.409 42.6-115.4 -70.9 138.0 14.6 25.1 49.7 73 74 A S > - 0 0 53 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.331 20.4-119.9 -64.3 152.0 17.5 27.3 51.0 74 75 A W H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 115.5 55.5 -62.9 -30.9 18.9 29.9 48.7 75 76 A Q H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 109.2 44.3 -65.2 -47.1 22.2 28.1 48.9 76 77 A S H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.898 112.7 53.2 -65.4 -41.3 20.8 24.9 47.7 77 78 A F H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.953 109.0 47.5 -59.4 -50.5 18.8 26.6 45.0 78 79 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.896 113.9 49.3 -59.4 -39.5 21.9 28.3 43.6 79 80 A R H X S+ 0 0 69 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.946 115.1 41.4 -60.6 -56.4 23.8 25.1 43.7 80 81 A N H X S+ 0 0 45 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.880 116.2 50.7 -62.0 -40.5 21.1 23.0 41.9 81 82 A N H X S+ 0 0 15 -4,-3.1 4,-2.5 -5,-0.3 -2,-0.2 0.890 111.1 47.9 -61.5 -44.8 20.4 25.9 39.5 82 83 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.910 111.2 50.2 -66.3 -43.0 24.1 26.2 38.6 83 84 A M H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.920 113.7 45.8 -58.8 -43.3 24.5 22.5 38.1 84 85 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.897 112.2 51.4 -68.6 -41.5 21.5 22.5 35.8 85 86 A F H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.948 110.6 48.8 -59.8 -49.5 22.7 25.6 34.0 86 87 A R H X S+ 0 0 15 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.915 110.9 50.2 -56.5 -44.7 26.0 24.0 33.4 87 88 A R H X S+ 0 0 103 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.915 110.5 49.3 -63.3 -44.5 24.5 20.7 32.1 88 89 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.887 112.3 48.6 -59.4 -42.0 22.2 22.6 29.7 89 90 A L H < S+ 0 0 2 -4,-2.4 6,-0.5 1,-0.2 7,-0.4 0.827 110.9 49.2 -71.4 -35.4 25.2 24.6 28.4 90 91 A L H < S+ 0 0 41 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.640 90.9 82.1 -77.4 -17.0 27.3 21.5 27.9 91 92 A R H < S+ 0 0 124 -4,-1.1 2,-0.3 -3,-0.4 -2,-0.2 0.983 97.5 37.7 -48.7 -59.9 24.6 19.7 26.1 92 93 A Y S >< S- 0 0 23 -4,-0.7 3,-2.2 -3,-0.1 4,-0.3 -0.687 96.1-101.8-104.4 142.9 25.4 21.4 22.8 93 94 A R T 3 S+ 0 0 105 -2,-0.3 -74,-0.1 1,-0.3 -1,-0.1 -0.331 110.0 4.3 -52.3 133.1 28.8 22.4 21.4 94 95 A D T 3> S+ 0 0 8 50,-0.1 4,-2.2 1,-0.1 -1,-0.3 0.672 86.1 140.4 59.1 21.1 29.3 26.2 22.0 95 96 A G H <> S+ 0 0 1 -3,-2.2 4,-1.4 -6,-0.5 -5,-0.1 0.903 71.5 50.6 -59.5 -35.3 26.1 26.3 23.9 96 97 A A H > S+ 0 0 0 -7,-0.4 4,-1.4 -4,-0.3 -1,-0.2 0.911 107.9 53.6 -69.1 -41.9 27.7 28.8 26.4 97 98 A K H 4 S+ 0 0 75 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.895 105.7 53.6 -56.3 -44.2 28.9 30.9 23.6 98 99 A V H < S+ 0 0 2 -4,-2.2 -43,-0.3 1,-0.2 -1,-0.2 0.871 108.3 50.5 -60.7 -34.8 25.3 31.1 22.3 99 100 A H H >< S+ 0 0 35 -4,-1.4 3,-2.3 -5,-0.2 -1,-0.2 0.800 82.4 117.8 -70.4 -33.1 24.1 32.3 25.6 100 101 A L T 3< S+ 0 0 76 -4,-1.4 3,-0.1 -3,-0.3 -45,-0.1 -0.131 83.1 2.3 -52.0 132.5 26.6 35.1 26.1 101 102 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.407 94.7 134.3 81.0 -3.1 25.3 38.6 26.3 102 103 A T < - 0 0 25 -3,-2.3 -1,-0.3 -51,-0.1 -3,-0.0 -0.276 44.0-145.7 -71.9 165.7 21.7 37.6 26.1 103 104 A R - 0 0 194 -3,-0.1 -1,-0.0 1,-0.0 -3,-0.0 -0.954 42.0 -70.8-126.1 151.3 19.0 39.0 28.3 104 105 A P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.066 51.1-130.7 -48.5 133.5 16.0 37.1 29.6 105 106 A D > - 0 0 44 1,-0.1 3,-2.1 -53,-0.1 4,-0.5 -0.462 24.1-106.7 -78.4 156.9 13.4 36.4 27.0 106 107 A E G > S+ 0 0 144 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.833 123.1 58.5 -49.8 -36.6 9.7 37.1 27.5 107 108 A K G 3 S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.703 108.4 46.0 -71.7 -16.9 9.2 33.4 27.9 108 109 A Q G <> S+ 0 0 37 -3,-2.1 4,-2.7 1,-0.1 5,-0.3 0.399 84.1 97.5-102.7 -0.8 11.7 33.4 30.7 109 110 A Y H <> S+ 0 0 136 -3,-1.0 4,-2.8 -4,-0.5 5,-0.3 0.895 82.3 48.3 -57.4 -46.7 10.3 36.4 32.6 110 111 A D H > S+ 0 0 138 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.924 114.6 47.9 -67.2 -39.2 8.2 34.5 35.2 111 112 A T H > S+ 0 0 40 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.958 115.2 41.5 -62.7 -52.7 11.1 32.2 36.0 112 113 A V H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.870 113.1 55.4 -69.5 -35.3 13.8 34.8 36.4 113 114 A E H X S+ 0 0 105 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.935 108.4 48.5 -57.7 -47.4 11.4 37.1 38.3 114 115 A T H X S+ 0 0 46 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.931 110.3 51.9 -59.3 -40.2 10.8 34.2 40.7 115 116 A Q H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.911 112.3 44.8 -58.9 -47.7 14.5 33.7 41.1 116 117 A L H X S+ 0 0 39 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 114.7 48.1 -64.8 -46.4 15.1 37.3 41.9 117 118 A R H X S+ 0 0 109 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.924 109.3 54.2 -60.9 -44.9 12.1 37.5 44.3 118 119 A F H X S+ 0 0 18 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.921 107.6 49.8 -58.4 -45.3 13.3 34.3 46.0 119 120 A M H ><>S+ 0 0 0 -4,-2.2 5,-1.6 1,-0.2 3,-1.5 0.966 111.3 48.9 -57.7 -50.2 16.8 35.8 46.6 120 121 A T H ><5S+ 0 0 51 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.885 106.2 56.2 -59.3 -34.4 15.2 38.9 48.1 121 122 A E H 3<5S+ 0 0 132 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.659 103.0 58.5 -69.9 -15.5 12.9 36.8 50.3 122 123 A N T <<5S- 0 0 59 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 0.200 131.8 -89.0 -97.8 12.6 16.1 35.2 51.6 123 124 A G T < 5S+ 0 0 53 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.315 85.5 128.1 101.1 -7.6 17.5 38.6 52.8 124 125 A F < - 0 0 13 -5,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.608 59.6-123.6 -76.7 138.0 19.4 39.8 49.7 125 126 A S > - 0 0 58 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.416 36.3-105.1 -59.3 159.0 18.7 43.2 48.4 126 127 A L H > S+ 0 0 96 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.940 123.4 50.6 -53.7 -46.2 17.6 43.0 44.8 127 128 A R H > S+ 0 0 153 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 112.8 43.0 -59.6 -47.1 21.1 44.3 43.8 128 129 A D H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 114.3 51.4 -71.2 -35.7 23.0 41.8 45.9 129 130 A G H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.912 112.1 47.7 -63.3 -45.3 20.7 38.9 44.8 130 131 A L H X S+ 0 0 70 -4,-3.0 4,-3.4 -5,-0.3 5,-0.2 0.928 109.1 51.8 -61.9 -42.6 21.3 39.9 41.3 131 132 A Y H X S+ 0 0 120 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.884 111.8 48.8 -64.2 -32.9 25.1 40.1 41.8 132 133 A A H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.942 113.4 45.2 -67.2 -53.5 25.0 36.6 43.3 133 134 A I H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 114.9 49.4 -56.4 -46.2 22.9 35.3 40.4 134 135 A S H X S+ 0 0 35 -4,-3.4 4,-3.2 2,-0.2 5,-0.2 0.899 110.3 50.1 -59.4 -44.8 25.2 37.1 37.9 135 136 A A H X S+ 0 0 31 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.950 111.2 47.8 -63.1 -47.6 28.3 35.7 39.6 136 137 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.936 115.6 46.3 -56.4 -44.8 27.0 32.1 39.5 137 138 A S H X S+ 0 0 30 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.927 114.5 46.8 -63.9 -44.8 26.0 32.6 35.8 138 139 A H H X S+ 0 0 124 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.901 113.4 47.7 -66.7 -45.9 29.3 34.2 34.9 139 140 A F H X S+ 0 0 63 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.941 114.8 46.3 -58.4 -45.6 31.4 31.5 36.6 140 141 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.932 112.6 49.2 -65.4 -47.9 29.4 28.8 35.1 141 142 A L H X S+ 0 0 12 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.937 113.3 47.6 -57.4 -48.3 29.6 30.3 31.6 142 143 A G H X S+ 0 0 29 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.898 112.1 49.2 -58.1 -45.6 33.3 30.7 31.9 143 144 A A H X S+ 0 0 31 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.929 115.2 43.0 -59.9 -45.3 33.9 27.2 33.2 144 145 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.930 113.1 52.0 -69.1 -42.6 31.8 25.7 30.4 145 146 A L H X S+ 0 0 41 -4,-2.8 4,-2.4 -5,-0.2 5,-0.3 0.871 110.8 47.5 -62.9 -43.8 33.3 27.9 27.7 146 147 A E H X S+ 0 0 154 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.941 113.3 49.1 -68.1 -38.9 36.8 27.0 28.7 147 148 A Q H X S+ 0 0 38 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.958 114.9 43.6 -61.0 -52.4 36.0 23.3 28.8 148 149 A Q H X S+ 0 0 26 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.908 115.2 46.7 -65.6 -39.2 34.3 23.3 25.4 149 150 A E H X S+ 0 0 61 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.907 108.9 55.9 -70.7 -34.6 37.0 25.4 23.6 150 151 A H H X S+ 0 0 76 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.937 107.1 48.8 -59.6 -47.1 39.7 23.4 25.1 151 152 A T H X S+ 0 0 82 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.912 112.3 50.2 -57.1 -40.0 38.2 20.2 23.7 152 153 A A H < S+ 0 0 18 -4,-1.8 3,-0.3 1,-0.2 4,-0.3 0.867 110.3 49.0 -66.3 -38.8 37.9 22.1 20.3 153 154 A A H >X S+ 0 0 22 -4,-2.6 4,-1.8 1,-0.2 3,-1.2 0.830 101.7 63.1 -70.2 -34.3 41.6 23.1 20.5 154 155 A L H 3< S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 102.6 50.2 -57.4 -37.9 42.8 19.6 21.3 155 156 A T T 3< S+ 0 0 114 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.528 110.2 51.9 -80.4 -12.6 41.6 18.4 18.0 156 157 A D T <4 S- 0 0 133 -3,-1.2 -2,-0.2 1,-0.4 -1,-0.2 0.788 127.7 -13.6 -91.2 -38.8 43.4 21.3 16.2 157 158 A R S < S- 0 0 136 -4,-1.8 -1,-0.4 0, 0.0 2,-0.1 -0.972 74.6 -97.3-162.5 153.0 46.8 20.8 17.7 158 159 A P - 0 0 113 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.415 44.6 -96.6 -75.9 151.0 48.5 18.8 20.5 159 160 A A - 0 0 77 1,-0.1 3,-0.1 -2,-0.1 -5,-0.0 -0.178 55.8 -88.6 -50.5 154.5 49.4 20.3 24.0 160 161 A A - 0 0 84 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.324 61.5 -72.3 -68.5 157.9 53.0 21.5 24.2 161 162 A P - 0 0 79 0, 0.0 3,-0.4 0, 0.0 4,-0.2 -0.062 37.2-135.5 -52.7 150.2 55.7 18.9 25.3 162 163 A D S > S+ 0 0 94 1,-0.2 3,-1.8 2,-0.1 -2,-0.1 0.871 89.3 70.4 -72.9 -39.5 55.7 17.8 29.0 163 164 A E T 3 S+ 0 0 156 1,-0.3 -1,-0.2 7,-0.0 7,-0.0 0.636 95.7 51.6 -68.5 -15.2 59.4 17.9 29.8 164 165 A N T 3 S+ 0 0 106 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.568 86.4 110.7 -94.2 -11.3 59.8 21.8 29.8 165 166 A L S < S- 0 0 39 -3,-1.8 -3,-0.0 -4,-0.2 0, 0.0 -0.376 72.9-121.2 -59.6 136.7 56.9 22.3 32.2 166 167 A P > - 0 0 74 0, 0.0 4,-2.4 0, 0.0 5,-0.1 -0.386 34.8-106.8 -72.8 160.4 57.6 23.5 35.7 167 168 A P H > S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.843 110.9 47.5 -70.8 -36.4 56.4 21.1 38.3 168 169 A L H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.915 115.4 46.9 -68.9 -41.0 53.3 22.7 39.8 169 170 A L H > S+ 0 0 80 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.922 109.1 54.8 -64.2 -42.8 51.9 23.6 36.4 170 171 A R H X S+ 0 0 89 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.950 113.3 43.1 -53.6 -48.4 52.6 20.0 35.2 171 172 A E H X S+ 0 0 107 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.888 111.3 54.1 -63.6 -43.1 50.6 18.8 38.1 172 173 A A H X S+ 0 0 39 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.929 106.1 52.0 -59.0 -44.3 47.9 21.3 37.6 173 174 A L H X S+ 0 0 63 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.902 108.5 51.3 -61.0 -39.0 47.4 20.3 34.0 174 175 A Q H < S+ 0 0 126 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.959 112.8 47.0 -60.5 -46.4 47.0 16.6 35.1 175 176 A I H >< S+ 0 0 93 -4,-2.4 3,-1.9 1,-0.2 4,-0.4 0.918 109.8 52.0 -62.6 -44.9 44.4 17.7 37.6 176 177 A M H 3< S+ 0 0 111 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.806 115.3 40.4 -66.4 -31.5 42.5 19.8 35.2 177 178 A D T 3< S+ 0 0 95 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 -0.047 87.3 96.0-102.1 24.5 42.2 17.1 32.6 178 179 A S S < S- 0 0 75 -3,-1.9 2,-0.2 1,-0.0 -1,-0.2 0.678 104.1 -2.1 -83.3 -21.5 41.5 14.5 35.3 179 180 A D S S- 0 0 55 -4,-0.4 -1,-0.0 -3,-0.4 0, 0.0 -0.817 93.4 -79.1-149.6-169.3 37.9 15.2 34.4 180 181 A D S S- 0 0 76 -2,-0.2 -3,-0.1 -3,-0.1 -4,-0.1 0.375 82.6 -83.0 -80.6 2.6 35.6 17.3 32.2 181 182 A G S > S+ 0 0 23 -5,-0.0 4,-2.2 -34,-0.0 5,-0.2 0.240 100.9 117.6 108.6 -10.2 35.9 20.4 34.6 182 183 A E H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 70.1 50.3 -64.3 -45.0 33.2 19.2 36.9 183 184 A Q H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 114.3 44.2 -61.1 -45.5 35.3 18.8 40.1 184 185 A A H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.870 113.9 52.3 -64.5 -39.3 36.8 22.3 39.7 185 186 A F H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.947 110.2 46.2 -62.7 -47.2 33.4 23.7 38.9 186 187 A L H X S+ 0 0 59 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.884 113.3 50.3 -63.2 -37.4 31.7 22.2 41.9 187 188 A H H X S+ 0 0 141 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.951 112.7 45.9 -66.6 -48.1 34.6 23.4 44.2 188 189 A G H X S+ 0 0 21 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.894 108.9 56.8 -59.6 -37.2 34.4 26.9 42.8 189 190 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.899 105.5 49.6 -65.4 -41.1 30.6 26.9 43.1 190 191 A E H X S+ 0 0 73 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.896 110.6 51.6 -68.3 -38.5 30.7 26.1 46.8 191 192 A S H X S+ 0 0 74 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.940 111.0 47.0 -57.7 -46.9 33.2 28.9 47.3 192 193 A L H X S+ 0 0 43 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 113.1 48.4 -59.7 -52.6 31.0 31.4 45.5 193 194 A I H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.941 112.3 48.2 -56.1 -47.3 27.9 30.3 47.5 194 195 A R H X S+ 0 0 146 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.890 109.1 54.0 -65.1 -36.4 29.7 30.5 50.8 195 196 A G H X S+ 0 0 40 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.914 106.5 51.0 -61.7 -40.2 31.0 33.9 49.9 196 197 A F H X S+ 0 0 27 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.886 110.7 51.6 -58.9 -39.6 27.5 35.2 49.2 197 198 A E H X S+ 0 0 54 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.927 107.1 50.1 -67.0 -39.6 26.5 33.8 52.6 198 199 A V H X S+ 0 0 68 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.945 112.7 48.9 -64.9 -43.2 29.3 35.6 54.4 199 200 A Q H < S+ 0 0 104 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.886 115.8 43.3 -59.7 -40.1 28.3 38.8 52.6 200 201 A L H >< S+ 0 0 31 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.930 113.3 46.6 -76.8 -48.2 24.6 38.4 53.5 201 202 A T H 3< S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.844 99.3 71.5 -65.1 -38.1 24.8 37.3 57.1 202 203 A A T >< S+ 0 0 12 -4,-2.0 3,-3.2 -5,-0.4 -1,-0.3 0.740 74.1 174.4 -42.6 -30.5 27.3 40.1 57.8 203 204 A L T < S- 0 0 146 -3,-1.3 -1,-0.2 -4,-0.4 4,-0.1 -0.349 73.8 -20.9 45.8-120.6 24.3 42.5 57.5 204 205 A L T 3 S+ 0 0 178 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.355 112.7 114.7 -94.6 3.7 25.9 45.9 58.4 205 206 A Q S < S- 0 0 159 -3,-3.2 2,-0.3 -4,-0.1 -3,-0.0 -0.498 79.3-104.9 -72.2 140.9 28.9 44.3 60.3 206 207 A I 0 0 169 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.503 360.0 360.0 -67.9 127.8 32.3 44.9 58.8 207 208 A V 0 0 125 -2,-0.3 -1,-0.2 -4,-0.1 -8,-0.0 0.505 360.0 360.0-133.3 360.0 33.3 41.7 57.2