==== 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 2XPT . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.DALM,G.J.PALM,W.HINRICHS . 195 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 69.7 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 . 14 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 60.5 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 0 1 0 1 1 1 0 0 0 0 1 0 0 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 2 A S 0 0 100 0, 0.0 32,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-169.6 11.5 20.8 6.1 2 3 A R - 0 0 172 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.254 360.0-168.0 -63.2 140.0 9.2 22.5 8.7 3 4 A L + 0 0 27 4,-0.1 -1,-0.1 5,-0.1 2,-0.1 0.012 36.8 128.8-123.1 32.8 10.1 26.2 9.4 4 5 A N S > S- 0 0 51 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.398 77.4 -95.8 -75.0 168.4 8.2 27.2 12.5 5 6 A R H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 123.5 51.8 -52.6 -48.5 10.3 28.8 15.2 6 7 A E H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 111.1 46.4 -59.6 -41.6 10.8 25.5 17.1 7 8 A S H > S+ 0 0 30 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.834 111.4 51.4 -74.1 -34.1 12.1 23.6 14.1 8 9 A V H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.940 112.1 46.7 -65.2 -45.5 14.4 26.4 13.0 9 10 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.907 109.7 55.5 -63.9 -43.3 15.9 26.5 16.5 10 11 A D H X S+ 0 0 68 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.932 112.3 41.2 -50.6 -51.8 16.2 22.8 16.5 11 12 A A H X S+ 0 0 10 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.902 113.1 54.5 -66.8 -40.2 18.2 22.8 13.3 12 13 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.900 109.1 48.0 -61.8 -38.1 20.3 25.8 14.4 13 14 A L H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.924 111.7 48.7 -69.7 -44.6 21.2 24.0 17.7 14 15 A E H X S+ 0 0 108 -4,-2.2 4,-1.5 -5,-0.2 3,-0.2 0.941 113.4 48.9 -57.0 -45.1 22.2 20.8 15.8 15 16 A L H X S+ 0 0 5 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.915 105.2 57.7 -61.5 -44.1 24.3 23.0 13.4 16 17 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.835 106.3 49.4 -57.1 -38.7 25.9 24.8 16.3 17 18 A N H < S+ 0 0 72 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.802 113.9 46.2 -69.2 -34.8 27.2 21.5 17.6 18 19 A E H < S+ 0 0 99 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.877 132.3 14.8 -70.5 -41.2 28.5 20.6 14.2 19 20 A T H X S- 0 0 32 -4,-2.8 4,-0.5 1,-0.1 -3,-0.2 0.663 92.2-133.5-111.4 -25.3 30.2 23.9 13.4 20 21 A G H X - 0 0 2 -4,-2.5 4,-1.1 -5,-0.4 -1,-0.1 -0.186 44.7 -64.6 80.5 177.0 30.6 26.0 16.6 21 22 A I H 4 S+ 0 0 18 2,-0.2 3,-0.5 1,-0.2 -1,-0.1 0.941 131.0 46.7 -73.7 -47.7 29.7 29.7 16.8 22 23 A D H 4 S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.858 118.1 44.6 -59.2 -41.3 32.2 31.3 14.3 23 24 A G H < S+ 0 0 22 -4,-0.5 2,-0.2 -7,-0.1 -1,-0.2 0.653 86.7 106.7 -81.1 -19.3 31.5 28.6 11.7 24 25 A L < + 0 0 1 -4,-1.1 2,-0.3 -3,-0.5 3,-0.1 -0.459 49.1 173.3 -66.9 124.8 27.7 28.8 12.1 25 26 A T > - 0 0 48 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.958 45.8-126.4-136.2 150.4 26.2 30.5 9.0 26 27 A T H > S+ 0 0 46 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.902 113.9 58.6 -63.0 -37.1 22.7 31.2 7.6 27 28 A R H > S+ 0 0 177 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.944 109.9 42.2 -54.8 -48.1 23.9 29.6 4.4 28 29 A K H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.856 112.3 54.7 -66.3 -37.8 24.7 26.4 6.2 29 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.926 106.1 52.1 -63.7 -40.8 21.5 26.6 8.2 30 31 A A H <>S+ 0 0 2 -4,-3.0 5,-2.7 1,-0.2 4,-0.3 0.919 107.9 52.1 -58.3 -44.9 19.5 26.8 4.9 31 32 A Q H ><5S+ 0 0 154 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.914 109.0 50.1 -53.0 -50.3 21.2 23.7 3.7 32 33 A K H 3<5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.911 110.5 48.9 -58.4 -43.0 20.3 21.8 6.9 33 34 A L T 3<5S- 0 0 5 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.413 112.7-119.2 -78.7 0.2 16.7 22.9 6.6 34 35 A G T < 5S+ 0 0 65 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.806 74.9 114.5 65.2 35.2 16.6 21.8 2.9 35 36 A I < - 0 0 27 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.840 69.0-102.8-132.4 167.6 15.7 25.3 1.7 36 37 A E > - 0 0 146 -2,-0.3 4,-1.8 -3,-0.1 3,-0.5 -0.519 39.5-109.3 -85.8 155.6 17.1 28.3 -0.2 37 38 A Q H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 115.9 55.2 -56.3 -44.2 18.6 31.3 1.5 38 39 A P H > S+ 0 0 102 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.878 106.9 52.5 -61.4 -31.6 15.8 33.7 0.7 39 40 A T H > S+ 0 0 62 -3,-0.5 4,-0.9 1,-0.2 3,-0.4 0.931 110.3 47.6 -61.6 -47.0 13.3 31.2 2.2 40 41 A L H >X S+ 0 0 4 -4,-1.8 4,-2.7 1,-0.2 3,-0.9 0.913 104.0 62.1 -61.6 -41.1 15.4 31.2 5.4 41 42 A Y H 3< S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 95.6 59.7 -54.2 -39.7 15.6 35.0 5.4 42 43 A W H 3< S+ 0 0 193 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.903 117.5 32.3 -52.6 -43.3 11.8 35.2 5.8 43 44 A H H << S+ 0 0 73 -3,-0.9 2,-0.4 -4,-0.9 -2,-0.2 0.800 132.0 23.7 -86.0 -35.7 12.1 33.3 9.1 44 45 A V < - 0 0 16 -4,-2.7 -1,-0.3 1,-0.1 3,-0.1 -0.968 62.1-162.7-139.6 119.2 15.6 34.4 10.4 45 46 A K - 0 0 96 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.854 64.1 -24.4 -78.0 -37.8 17.1 37.7 9.3 46 47 A N > - 0 0 80 1,-0.1 4,-1.8 -20,-0.0 3,-0.3 -0.971 69.7 -83.7-162.0 176.3 20.7 37.3 10.3 47 48 A K H > S+ 0 0 67 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.870 120.0 57.0 -56.5 -42.8 23.2 35.5 12.5 48 49 A R H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 106.4 47.9 -62.2 -42.8 22.7 37.9 15.4 49 50 A A H > S+ 0 0 42 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.897 113.4 49.0 -60.0 -44.2 18.9 37.3 15.6 50 51 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.971 111.2 48.7 -62.8 -50.4 19.5 33.6 15.5 51 52 A L H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.871 108.7 53.0 -59.4 -39.2 22.2 33.7 18.2 52 53 A D H X S+ 0 0 72 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.906 112.1 47.1 -62.3 -39.3 20.0 35.8 20.5 53 54 A A H X S+ 0 0 18 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.857 109.8 50.8 -67.7 -43.4 17.3 33.2 20.1 54 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.908 105.2 58.2 -63.7 -36.8 19.6 30.3 20.7 55 56 A A H X S+ 0 0 5 -4,-2.5 4,-1.2 43,-0.2 -2,-0.2 0.932 113.0 41.2 -58.2 -38.4 20.8 32.0 24.0 56 57 A V H X S+ 0 0 11 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.930 115.3 48.2 -78.0 -44.8 17.3 32.0 25.2 57 58 A E H X S+ 0 0 30 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.806 103.3 59.6 -69.5 -31.7 16.3 28.6 24.0 58 59 A I H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 5,-0.4 0.946 113.7 40.2 -58.9 -43.3 19.3 26.8 25.4 59 60 A L H X S+ 0 0 20 -4,-1.2 4,-1.6 -5,-0.3 -2,-0.2 0.898 113.6 52.8 -73.1 -38.4 18.3 28.1 28.9 60 61 A A H < S+ 0 0 62 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.946 117.8 38.1 -63.7 -41.5 14.6 27.5 28.3 61 62 A R H < S+ 0 0 68 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.812 134.9 13.4 -76.7 -35.5 15.3 23.9 27.2 62 63 A H H < S+ 0 0 25 -4,-2.2 2,-1.3 -5,-0.2 -3,-0.2 0.642 99.2 85.1-122.6 -18.5 18.0 22.9 29.6 63 64 A H < + 0 0 19 -4,-1.6 3,-0.2 -5,-0.4 -1,-0.1 -0.707 46.1 158.9 -90.4 89.8 18.5 25.3 32.5 64 65 A D + 0 0 121 -2,-1.3 2,-0.5 1,-0.2 3,-0.3 0.456 53.1 75.2-104.7 7.9 15.9 24.0 34.9 65 66 A Y + 0 0 65 16,-0.2 -1,-0.2 1,-0.2 20,-0.2 -0.477 55.8 129.3-101.9 65.4 17.0 25.4 38.3 66 67 A S + 0 0 33 -2,-0.5 -1,-0.2 -3,-0.2 49,-0.1 0.710 63.8 41.1 -92.4 -14.1 15.9 28.9 37.5 67 68 A L S S- 0 0 82 -3,-0.3 -1,-0.1 47,-0.0 45,-0.0 -0.960 87.5-102.7-136.2 145.6 13.9 29.5 40.8 68 69 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.335 37.4-117.1 -66.0 144.0 14.5 28.7 44.4 69 70 A A > - 0 0 55 1,-0.2 3,-2.2 4,-0.1 8,-0.1 -0.362 51.6 -68.9 -69.5 162.7 12.6 25.8 45.9 70 71 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.306 122.3 0.7 -50.0 121.2 10.2 26.5 48.8 71 72 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.488 93.9 156.4 78.9 0.5 12.1 27.5 51.9 72 73 A E < - 0 0 22 -3,-2.2 -1,-0.2 1,-0.1 2,-0.0 -0.375 43.0-119.6 -65.6 135.3 15.5 27.2 50.0 73 74 A S > - 0 0 55 1,-0.1 4,-2.3 -2,-0.1 -4,-0.1 -0.309 20.6-118.0 -62.5 158.3 18.4 29.3 51.4 74 75 A W H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 114.8 55.0 -71.8 -29.9 19.9 31.9 49.1 75 76 A Q H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 109.8 44.7 -62.6 -47.9 23.2 30.0 49.3 76 77 A S H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.893 111.4 53.8 -68.0 -40.6 21.7 26.8 48.1 77 78 A F H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.953 109.9 46.9 -57.2 -53.3 19.7 28.6 45.4 78 79 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.899 113.0 50.5 -58.9 -40.1 22.8 30.2 44.0 79 80 A R H X S+ 0 0 71 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.962 115.9 39.9 -58.3 -52.4 24.6 26.8 44.1 80 81 A N H X S+ 0 0 46 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.891 115.2 52.6 -68.7 -39.4 21.9 24.9 42.4 81 82 A N H X S+ 0 0 16 -4,-3.1 4,-2.8 -5,-0.3 -1,-0.2 0.924 110.8 49.0 -59.1 -41.3 21.3 27.8 39.9 82 83 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.920 110.7 48.0 -67.3 -43.4 25.0 27.8 39.1 83 84 A M H X S+ 0 0 52 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.889 114.3 46.7 -64.0 -40.0 25.3 24.2 38.5 84 85 A S H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 113.3 49.6 -65.5 -48.1 22.1 24.2 36.3 85 86 A F H X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.943 111.8 48.6 -56.4 -49.0 23.5 27.2 34.4 86 87 A R H X S+ 0 0 8 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.909 111.1 48.8 -61.3 -45.7 26.8 25.6 33.8 87 88 A R H X S+ 0 0 135 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.933 111.4 50.3 -62.9 -42.7 25.3 22.3 32.6 88 89 A A H >X S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.2 4,-0.5 0.923 110.6 49.4 -62.3 -41.9 23.0 24.2 30.2 89 90 A L H 3< S+ 0 0 1 -4,-2.4 6,-0.5 1,-0.2 7,-0.5 0.824 110.8 51.3 -62.1 -37.8 26.0 26.2 28.7 90 91 A L H 3< S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.582 90.1 80.6 -76.8 -9.8 28.0 23.0 28.3 91 92 A R H << S+ 0 0 133 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.2 0.870 94.8 42.0 -73.7 -35.1 25.3 21.2 26.4 92 93 A Y S >< S- 0 0 29 -4,-0.5 3,-2.4 -3,-0.4 4,-0.3 -0.920 97.7 -97.7-109.7 142.5 26.0 22.8 23.1 93 94 A R T 3 S+ 0 0 122 -2,-0.4 -73,-0.1 1,-0.3 -74,-0.1 -0.232 111.5 2.6 -47.1 132.7 29.3 23.6 21.5 94 95 A D T 3> S+ 0 0 18 -74,-0.1 4,-2.0 1,-0.1 -1,-0.3 0.692 85.9 146.0 51.5 26.5 30.2 27.2 22.2 95 96 A G H <> + 0 0 1 -3,-2.4 4,-2.1 -6,-0.5 5,-0.2 0.886 69.1 53.3 -57.0 -36.1 27.1 27.6 24.3 96 97 A A H > S+ 0 0 0 -7,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.919 108.3 50.2 -65.0 -42.1 28.8 30.0 26.7 97 98 A K H 4 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.867 108.8 53.2 -63.1 -34.5 29.9 32.2 23.7 98 99 A V H < S+ 0 0 2 -4,-2.0 -43,-0.2 1,-0.2 -2,-0.2 0.906 110.6 47.0 -68.2 -37.5 26.2 32.1 22.5 99 100 A H H >< S+ 0 0 35 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.2 0.812 87.8 111.8 -70.4 -35.6 25.0 33.4 25.9 100 101 A L T 3< S+ 0 0 79 -4,-1.9 3,-0.1 1,-0.2 -45,-0.1 -0.097 82.7 6.2 -52.5 139.4 27.6 36.2 26.3 101 102 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.699 92.3 135.0 69.8 20.0 26.4 39.8 26.2 102 103 A T < - 0 0 35 -3,-1.3 -1,-0.3 -47,-0.0 3,-0.0 -0.730 44.8-146.6 -96.0 147.2 22.8 38.9 26.1 103 104 A R - 0 0 221 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.819 43.7 -75.7-102.5 155.7 20.3 40.8 28.3 104 105 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.204 49.9-129.3 -53.2 142.1 17.3 38.9 29.6 105 106 A D > - 0 0 47 1,-0.1 3,-2.4 -53,-0.1 4,-0.5 -0.547 25.2-105.8 -84.1 158.1 14.6 38.3 27.0 106 107 A E G > S+ 0 0 150 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.834 124.1 59.1 -48.8 -36.3 10.9 39.2 27.7 107 108 A K G 3 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.608 107.5 46.7 -75.3 -10.4 10.4 35.5 28.1 108 109 A Q G <> S+ 0 0 34 -3,-2.4 4,-2.4 2,-0.1 5,-0.3 0.422 84.6 97.6-102.1 -4.0 12.9 35.5 30.9 109 110 A Y H <> S+ 0 0 124 -3,-1.2 4,-2.8 -4,-0.5 5,-0.3 0.910 82.3 47.4 -57.7 -47.4 11.5 38.6 32.7 110 111 A D H > S+ 0 0 137 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.911 114.7 49.1 -63.6 -41.5 9.4 36.8 35.3 111 112 A T H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.959 114.7 40.9 -61.4 -54.2 12.3 34.5 36.1 112 113 A V H X S+ 0 0 41 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.865 113.0 55.0 -67.2 -36.5 15.1 37.1 36.5 113 114 A E H X S+ 0 0 115 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.890 108.2 50.0 -63.1 -40.1 12.7 39.5 38.4 114 115 A T H X S+ 0 0 40 -4,-1.9 4,-3.1 -5,-0.3 -2,-0.2 0.901 108.9 51.7 -66.2 -40.1 12.0 36.6 40.9 115 116 A Q H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.940 112.8 45.6 -61.3 -42.5 15.7 35.9 41.4 116 117 A L H X S+ 0 0 41 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.929 114.0 47.4 -67.6 -44.9 16.4 39.5 42.1 117 118 A R H X S+ 0 0 111 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 108.9 55.6 -61.0 -48.5 13.4 39.8 44.4 118 119 A F H X S+ 0 0 21 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.853 106.6 50.2 -47.7 -45.3 14.4 36.6 46.3 119 120 A M H ><>S+ 0 0 0 -4,-1.9 5,-2.0 1,-0.2 3,-0.8 0.918 110.9 48.7 -65.9 -39.6 17.9 38.0 47.0 120 121 A T H ><5S+ 0 0 56 -4,-1.8 3,-1.3 1,-0.3 -2,-0.2 0.877 106.5 56.8 -69.3 -30.2 16.4 41.2 48.4 121 122 A E H 3<5S+ 0 0 133 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.682 104.3 55.2 -70.5 -16.0 14.0 39.1 50.5 122 123 A N T <<5S- 0 0 57 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.135 131.4 -87.2-104.7 14.0 17.1 37.5 52.0 123 124 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.335 86.3 125.6 108.1 -5.7 18.7 40.7 53.1 124 125 A F < - 0 0 13 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.628 60.7-122.1 -81.2 143.3 20.7 41.9 50.1 125 126 A S > - 0 0 57 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.370 36.5-103.5 -65.3 158.3 20.1 45.3 48.7 126 127 A L H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.949 123.5 49.6 -48.0 -47.5 19.1 45.1 45.1 127 128 A R H > S+ 0 0 158 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 113.1 44.4 -57.3 -52.9 22.6 46.2 44.1 128 129 A D H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 113.3 50.6 -66.4 -35.7 24.4 43.7 46.3 129 130 A G H X S+ 0 0 1 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.933 112.2 48.7 -62.9 -45.8 22.0 40.8 45.3 130 131 A L H X S+ 0 0 67 -4,-2.8 4,-3.1 -5,-0.3 -2,-0.2 0.908 110.2 50.1 -61.0 -43.1 22.6 41.8 41.6 131 132 A Y H X S+ 0 0 123 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.864 111.6 49.5 -66.0 -38.1 26.4 41.8 42.2 132 133 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.964 114.6 44.4 -58.9 -55.3 26.2 38.4 43.8 133 134 A I H X S+ 0 0 21 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.903 114.1 48.1 -57.3 -41.4 24.1 37.0 41.0 134 135 A S H X S+ 0 0 35 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.861 109.0 55.0 -69.3 -37.3 26.3 38.6 38.3 135 136 A A H X S+ 0 0 30 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.915 108.6 48.2 -62.3 -44.6 29.5 37.3 40.1 136 137 A V H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.952 113.4 48.1 -58.0 -48.0 28.0 33.7 39.9 137 138 A S H X S+ 0 0 31 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.901 113.9 45.9 -56.6 -45.4 27.2 34.2 36.2 138 139 A H H X S+ 0 0 128 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.935 113.6 47.2 -68.8 -45.1 30.6 35.6 35.4 139 140 A F H X S+ 0 0 67 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 115.5 46.7 -59.0 -48.0 32.6 32.9 37.3 140 141 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.928 113.0 49.5 -65.1 -43.1 30.4 30.2 35.7 141 142 A L H X S+ 0 0 16 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.930 112.1 46.9 -59.3 -48.4 30.8 31.7 32.2 142 143 A G H X S+ 0 0 33 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.908 112.9 50.0 -62.6 -41.8 34.6 32.0 32.5 143 144 A A H X S+ 0 0 31 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.923 114.2 43.6 -64.2 -46.4 34.8 28.5 33.8 144 145 A V H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.941 114.1 50.4 -63.7 -46.5 32.7 27.1 30.9 145 146 A L H X S+ 0 0 36 -4,-3.0 4,-2.6 -5,-0.2 5,-0.3 0.945 111.1 47.7 -61.0 -49.4 34.4 29.1 28.2 146 147 A E H X S+ 0 0 140 -4,-2.4 4,-2.1 -5,-0.2 5,-0.3 0.949 114.3 48.1 -55.4 -48.5 37.9 28.1 29.4 147 148 A Q H X S+ 0 0 44 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.933 115.5 44.1 -55.0 -47.7 36.7 24.4 29.5 148 149 A Q H < S+ 0 0 29 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.765 116.5 46.0 -73.8 -25.9 35.1 24.7 26.0 149 150 A E H < S+ 0 0 93 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.753 104.9 57.5 -92.3 -27.0 38.1 26.6 24.4 150 151 A H H < 0 0 146 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.1 0.954 360.0 360.0 -64.3 -47.5 40.8 24.5 25.7 151 152 A T < 0 0 147 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.1 0.999 360.0 360.0 -62.8 360.0 39.2 21.5 24.0 152 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 153 165 A N 0 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.7 60.9 22.3 29.7 154 166 A L - 0 0 86 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.418 360.0-125.9 -72.1 133.0 58.0 22.5 32.2 155 167 A P > - 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.382 32.7-107.5 -72.8 156.6 58.7 23.6 35.7 156 168 A P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.836 111.0 44.6 -66.6 -34.3 57.4 21.1 38.3 157 169 A L H > S+ 0 0 137 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 115.0 49.1 -78.7 -36.0 54.3 22.8 39.8 158 170 A L H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 109.5 53.1 -61.1 -43.6 53.0 23.9 36.4 159 171 A R H X S+ 0 0 120 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.913 112.8 44.5 -58.7 -41.8 53.5 20.4 35.2 160 172 A E H X S+ 0 0 108 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 111.8 52.1 -69.6 -36.9 51.5 19.1 38.1 161 173 A A H X S+ 0 0 37 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.874 108.8 49.9 -67.4 -37.9 48.8 21.8 37.7 162 174 A L H X S+ 0 0 63 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.878 108.5 53.2 -70.7 -35.3 48.4 20.9 34.1 163 175 A Q H < S+ 0 0 123 -4,-1.5 -2,-0.2 -5,-0.2 4,-0.2 0.890 110.2 50.1 -60.3 -40.0 48.1 17.2 35.1 164 176 A I H >< S+ 0 0 106 -4,-2.1 3,-0.7 2,-0.2 4,-0.4 0.888 112.9 43.4 -68.2 -46.0 45.3 18.4 37.5 165 177 A M H >< S+ 0 0 125 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.897 110.1 55.0 -67.5 -40.5 43.4 20.3 35.0 166 178 A D T 3< S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.638 96.6 77.8 -62.1 -4.4 43.7 17.6 32.3 167 179 A S T < S+ 0 0 100 -3,-0.7 2,-0.3 -4,-0.2 -1,-0.2 0.719 101.0 9.3 -90.8 -27.1 42.2 15.3 35.0 168 180 A D S < S- 0 0 58 -3,-0.9 0, 0.0 -4,-0.4 0, 0.0 -0.818 82.2 -93.8-137.6-170.8 38.5 16.3 34.8 169 181 A D S S- 0 0 79 -2,-0.3 -4,-0.0 1,-0.0 -3,-0.0 0.616 75.0 -87.0 -77.7 -12.6 36.1 18.2 32.7 170 182 A G S > S+ 0 0 23 -23,-0.0 4,-2.0 -24,-0.0 5,-0.2 0.121 99.6 113.6 120.6 -18.0 36.4 21.4 34.9 171 183 A E H > S+ 0 0 83 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.901 71.3 50.9 -57.9 -48.1 33.7 20.4 37.4 172 184 A Q H > S+ 0 0 151 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.933 113.4 43.9 -61.6 -45.6 35.9 20.0 40.5 173 185 A A H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 114.5 51.8 -66.7 -37.5 37.6 23.4 40.2 174 186 A F H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.945 110.9 46.8 -62.1 -47.4 34.2 25.0 39.4 175 187 A L H X S+ 0 0 57 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.884 112.3 49.5 -65.5 -37.0 32.6 23.6 42.4 176 188 A H H X S+ 0 0 142 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.950 113.5 46.2 -67.5 -46.0 35.4 24.5 44.7 177 189 A G H X S+ 0 0 21 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.847 108.1 57.3 -62.0 -37.3 35.4 28.1 43.4 178 190 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.912 105.5 49.9 -62.7 -41.3 31.6 28.3 43.7 179 191 A E H X S+ 0 0 76 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.896 109.7 52.6 -64.2 -39.8 31.7 27.5 47.4 180 192 A S H X S+ 0 0 76 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.933 111.0 46.4 -60.7 -49.0 34.4 30.2 47.8 181 193 A L H X S+ 0 0 46 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.921 113.2 47.6 -54.2 -50.4 32.2 32.8 46.1 182 194 A I H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 111.3 50.6 -63.7 -43.6 29.1 31.9 48.0 183 195 A R H X S+ 0 0 148 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.910 108.6 52.2 -63.3 -44.4 30.8 31.9 51.3 184 196 A G H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.901 107.5 52.4 -58.4 -40.4 32.3 35.3 50.5 185 197 A F H X S+ 0 0 28 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.908 109.9 50.3 -58.8 -38.6 28.9 36.7 49.7 186 198 A E H X S+ 0 0 54 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.915 107.0 52.2 -64.4 -45.7 27.7 35.4 53.1 187 199 A V H X S+ 0 0 69 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.928 113.3 45.9 -58.0 -42.3 30.5 37.0 54.9 188 200 A Q H < S+ 0 0 105 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.886 113.7 48.0 -65.8 -40.6 29.6 40.3 53.3 189 201 A L H >< S+ 0 0 37 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.908 112.7 47.2 -69.1 -42.7 25.8 40.0 53.9 190 202 A T H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 99.4 69.7 -76.2 -24.2 26.2 39.1 57.6 191 203 A A T >< S+ 0 0 14 -4,-1.3 3,-2.9 -5,-0.3 -1,-0.3 0.745 72.0 175.1 -62.0 -26.4 28.7 41.9 58.2 192 204 A L T < S- 0 0 142 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 -0.341 74.4 -21.5 50.2-124.0 25.9 44.5 57.7 193 205 A L T 3 S+ 0 0 165 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.266 110.3 116.4 -94.8 7.9 27.6 47.9 58.6 194 206 A Q S < S- 0 0 157 -3,-2.9 2,-0.3 -4,-0.1 -3,-0.0 -0.477 78.5-105.3 -70.9 149.5 30.5 46.2 60.6 195 207 A I 0 0 173 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.576 360.0 360.0 -70.7 134.5 34.0 46.6 59.2 196 208 A V 0 0 126 -2,-0.3 -1,-0.2 -3,-0.0 -8,-0.0 0.454 360.0 360.0-141.6 360.0 34.9 43.2 57.7