==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 18-FEB-10 2X6O . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.VOLKERS,W.HINRICHS . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 74.2 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 1.5 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 . 120 61.9 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 0 1 2 0 1 0 0 0 0 0 0 3 0 0 1 0 1 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 0 104 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-164.5 11.2 20.7 6.7 2 3 A R - 0 0 177 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.540 360.0-166.2 -82.8 137.1 9.0 22.6 9.2 3 4 A L + 0 0 27 -2,-0.2 2,-0.1 4,-0.1 -1,-0.1 -0.005 35.9 129.4-122.6 30.6 10.0 26.2 9.9 4 5 A N S >> S- 0 0 49 1,-0.1 4,-2.3 4,-0.0 3,-0.6 -0.481 76.5 -95.8 -73.5 158.8 8.2 27.4 13.1 5 6 A R H 3> S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.876 122.6 53.5 -38.0 -53.5 10.5 29.0 15.7 6 7 A E H 3> S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 112.2 42.5 -57.0 -43.8 10.8 25.8 17.7 7 8 A S H <> S+ 0 0 34 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.874 112.4 54.0 -71.1 -40.7 12.1 23.6 14.8 8 9 A V H X S+ 0 0 12 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.963 113.1 43.2 -56.7 -52.0 14.4 26.4 13.5 9 10 A I H X S+ 0 0 6 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.871 110.8 54.5 -63.9 -40.4 16.0 26.6 16.9 10 11 A D H X S+ 0 0 67 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.892 113.4 44.1 -57.9 -41.9 16.2 22.8 17.4 11 12 A A H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.900 112.8 51.0 -70.4 -42.3 18.0 22.7 14.1 12 13 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.921 111.2 47.7 -62.7 -44.1 20.2 25.6 15.0 13 14 A L H X S+ 0 0 3 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.921 112.7 48.7 -60.2 -43.8 21.3 24.1 18.3 14 15 A E H X S+ 0 0 105 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.2 0.908 112.4 48.5 -64.8 -41.0 22.0 20.7 16.6 15 16 A L H >X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.888 105.1 60.1 -63.4 -37.7 24.0 22.6 14.0 16 17 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 102.6 51.7 -55.5 -44.1 25.8 24.4 16.9 17 18 A N H 3< S+ 0 0 75 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.747 112.3 46.6 -66.9 -25.7 27.0 21.0 18.2 18 19 A E H << S+ 0 0 112 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.779 129.8 15.2 -77.2 -35.8 28.5 20.1 14.8 19 20 A T H X S- 0 0 32 -4,-1.9 4,-0.6 -3,-0.2 -3,-0.2 0.697 90.1-133.2-117.8 -31.0 30.3 23.4 14.0 20 21 A G H X - 0 0 0 -4,-2.2 4,-1.5 -5,-0.4 74,-0.1 -0.082 44.9 -64.0 81.3 170.7 30.7 25.7 17.0 21 22 A I H 4 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.2 30,-0.0 0.813 132.7 49.0 -65.3 -38.6 30.0 29.4 17.1 22 23 A D H 4 S+ 0 0 129 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.919 115.8 45.1 -70.6 -43.7 32.6 30.6 14.6 23 24 A G H < S+ 0 0 23 -4,-0.6 2,-0.3 -7,-0.1 -2,-0.2 0.722 87.1 104.8 -68.5 -25.3 31.5 27.9 12.1 24 25 A L < + 0 0 0 -4,-1.5 2,-0.3 -8,-0.1 3,-0.1 -0.410 45.6 165.9 -71.1 121.1 27.7 28.4 12.4 25 26 A T > - 0 0 50 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.923 48.8-120.6-131.2 161.4 26.1 30.3 9.5 26 27 A T H > S+ 0 0 42 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.932 113.3 61.6 -63.2 -41.1 22.7 30.8 8.2 27 28 A R H > S+ 0 0 156 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.873 108.4 41.8 -56.4 -40.0 23.7 29.2 4.9 28 29 A K H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.756 110.9 55.5 -76.4 -30.8 24.5 25.9 6.7 29 30 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.927 107.5 51.3 -61.8 -45.0 21.3 26.2 8.8 30 31 A A H <>S+ 0 0 2 -4,-3.2 5,-2.4 2,-0.2 4,-0.4 0.887 108.9 50.9 -59.0 -44.6 19.4 26.5 5.4 31 32 A Q H ><5S+ 0 0 145 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 0.962 108.4 50.8 -55.4 -53.1 21.1 23.3 4.2 32 33 A K H 3<5S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.855 111.3 48.6 -56.7 -34.4 20.2 21.3 7.3 33 34 A L T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.447 112.4-118.9 -89.3 1.6 16.5 22.4 7.1 34 35 A G T < 5S+ 0 0 63 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.2 0.829 74.2 115.8 68.7 33.9 16.3 21.4 3.3 35 36 A I < - 0 0 25 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.868 67.6-102.1-134.2 160.7 15.5 25.0 2.3 36 37 A E >> - 0 0 138 -2,-0.3 4,-1.7 -3,-0.1 3,-1.0 -0.593 37.6-109.6 -80.9 148.9 16.9 27.8 0.2 37 38 A Q H 3> S+ 0 0 89 1,-0.2 4,-1.9 -2,-0.2 -1,-0.1 0.783 115.0 53.1 -45.6 -44.3 18.6 30.8 1.8 38 39 A P H 3> S+ 0 0 104 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.882 105.1 55.6 -71.2 -26.8 15.9 33.3 1.0 39 40 A T H X> S+ 0 0 66 -3,-1.0 4,-0.9 1,-0.2 3,-0.5 0.950 108.5 49.2 -60.2 -48.2 13.2 31.1 2.6 40 41 A L H >X S+ 0 0 4 -4,-1.7 4,-2.6 1,-0.2 3,-1.0 0.901 101.3 62.9 -59.3 -41.9 15.3 31.1 5.8 41 42 A Y H 3< S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.864 95.5 59.8 -55.8 -39.3 15.7 34.9 5.7 42 43 A W H << S+ 0 0 193 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.911 117.4 33.4 -48.2 -43.6 11.8 35.3 6.1 43 44 A H H << S+ 0 0 76 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.763 133.6 19.2 -87.2 -33.8 12.2 33.4 9.4 44 45 A V < - 0 0 17 -4,-2.6 -1,-0.3 1,-0.1 3,-0.1 -0.943 62.3-158.7-148.8 116.1 15.7 34.5 10.7 45 46 A K - 0 0 106 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.858 64.9 -25.6 -74.1 -34.8 17.2 37.7 9.4 46 47 A N > - 0 0 81 1,-0.1 4,-2.1 -20,-0.0 -1,-0.1 -0.953 68.7 -82.4-164.8 175.9 21.0 37.0 10.2 47 48 A K H > S+ 0 0 65 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.851 124.0 55.2 -57.6 -42.2 23.5 35.2 12.5 48 49 A R H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 107.5 48.4 -63.0 -40.0 23.2 37.8 15.1 49 50 A A H > S+ 0 0 41 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.926 113.6 49.3 -65.8 -37.6 19.4 37.2 15.3 50 51 A L H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.930 110.8 47.7 -64.7 -49.1 20.0 33.4 15.5 51 52 A L H X S+ 0 0 8 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.893 109.8 52.4 -60.4 -45.0 22.6 33.7 18.3 52 53 A D H X S+ 0 0 70 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.895 113.1 45.5 -57.1 -40.9 20.4 36.0 20.4 53 54 A A H X S+ 0 0 22 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.935 112.9 50.4 -71.3 -42.1 17.6 33.5 20.0 54 55 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.920 106.8 54.7 -60.5 -43.8 19.9 30.6 20.8 55 56 A A H X S+ 0 0 3 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.906 111.7 44.2 -57.3 -41.8 21.2 32.4 23.9 56 57 A V H X S+ 0 0 22 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.901 114.5 48.9 -72.1 -37.5 17.7 32.7 25.3 57 58 A E H X S+ 0 0 37 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.884 102.0 59.4 -75.6 -36.6 16.6 29.2 24.4 58 59 A I H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.962 113.6 41.4 -51.6 -49.8 19.6 27.4 25.9 59 60 A L H X S+ 0 0 19 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.914 115.0 48.6 -66.6 -42.6 18.6 29.0 29.3 60 61 A A H < S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.947 118.2 42.2 -62.5 -45.2 14.8 28.5 28.9 61 62 A R H < S+ 0 0 68 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.911 135.0 10.9 -67.4 -41.8 15.4 24.9 27.9 62 63 A H H < S+ 0 0 40 -4,-2.5 2,-2.6 -5,-0.3 3,-0.2 0.676 94.1 92.1-120.5 -20.0 18.1 24.0 30.5 63 64 A H < + 0 0 29 -4,-2.2 3,-0.3 -5,-0.4 -1,-0.1 -0.435 49.6 161.4 -81.3 71.0 18.6 26.6 33.2 64 65 A D + 0 0 139 -2,-2.6 2,-1.0 1,-0.2 3,-0.3 0.754 56.8 61.3 -65.5 -31.8 16.1 24.8 35.3 65 66 A Y + 0 0 67 -3,-0.2 -1,-0.2 1,-0.2 20,-0.2 -0.473 59.4 128.7-101.4 66.2 17.1 26.3 38.8 66 67 A S + 0 0 28 -2,-1.0 -1,-0.2 -3,-0.3 -2,-0.1 0.661 65.4 45.7 -91.5 -16.9 16.4 29.9 38.1 67 68 A L S S- 0 0 76 -3,-0.3 -1,-0.1 47,-0.0 48,-0.0 -0.950 86.2-103.4-131.3 146.9 14.3 30.6 41.3 68 69 A P - 0 0 28 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.279 35.2-120.0 -61.1 148.0 14.6 29.7 45.0 69 70 A A > - 0 0 54 1,-0.2 3,-1.7 4,-0.1 2,-0.1 -0.461 48.6 -73.6 -77.9 163.0 12.5 26.9 46.5 70 71 A A T 3 S+ 0 0 112 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.389 120.5 7.3 -52.8 124.9 10.0 27.7 49.2 71 72 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.223 91.7 149.8 92.0 -10.9 12.0 28.3 52.4 72 73 A E < - 0 0 25 -3,-1.7 -1,-0.2 1,-0.1 2,-0.1 -0.196 45.0-122.0 -71.0 142.0 15.4 28.2 50.8 73 74 A S > - 0 0 55 1,-0.1 4,-1.9 4,-0.0 -4,-0.1 -0.307 22.8-116.4 -69.1 161.3 18.3 30.2 52.2 74 75 A W H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.891 114.6 53.9 -70.6 -36.3 20.1 32.7 50.0 75 76 A Q H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.975 110.5 45.5 -57.5 -55.2 23.4 30.7 50.2 76 77 A S H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 112.7 52.5 -60.6 -34.9 21.7 27.6 49.0 77 78 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.944 107.6 49.1 -68.1 -48.3 20.0 29.6 46.3 78 79 A L H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.899 113.9 49.4 -59.1 -35.1 23.1 31.1 45.0 79 80 A R H X S+ 0 0 72 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.978 112.4 43.5 -67.7 -59.3 24.7 27.6 44.9 80 81 A N H X S+ 0 0 48 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.851 115.8 50.3 -55.5 -35.9 21.9 25.7 43.1 81 82 A N H X S+ 0 0 16 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.886 110.6 48.3 -72.0 -40.2 21.6 28.6 40.6 82 83 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.959 112.0 49.2 -64.2 -47.6 25.2 28.7 39.8 83 84 A M H X S+ 0 0 46 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.922 114.1 46.9 -58.6 -42.5 25.3 24.9 39.4 84 85 A S H X S+ 0 0 11 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.942 111.9 48.9 -65.7 -47.8 22.3 25.2 37.1 85 86 A F H X S+ 0 0 18 -4,-3.0 4,-2.5 -20,-0.2 -2,-0.2 0.917 112.0 50.4 -53.7 -45.7 23.7 28.1 35.0 86 87 A R H X S+ 0 0 9 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.965 110.9 47.8 -59.4 -53.1 27.0 26.2 34.6 87 88 A R H < S+ 0 0 166 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.810 110.0 51.8 -56.5 -39.8 25.4 23.1 33.4 88 89 A A H >< S+ 0 0 2 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.929 110.3 49.0 -70.0 -39.3 23.1 24.9 30.9 89 90 A L H 3< S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 7,-0.4 0.828 110.5 51.8 -65.6 -30.0 26.2 26.7 29.4 90 91 A L T 3< S+ 0 0 50 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.553 89.6 81.1 -80.2 -9.4 28.1 23.4 29.1 91 92 A R S < S+ 0 0 148 -3,-1.0 2,-0.4 -4,-0.5 -1,-0.2 0.819 93.7 41.8 -75.7 -26.6 25.3 21.6 27.3 92 93 A Y S > S- 0 0 25 -3,-0.5 3,-2.0 -4,-0.4 4,-0.2 -0.931 96.8 -97.8-120.9 141.5 26.1 23.0 23.8 93 94 A R T 3 S+ 0 0 126 -2,-0.4 -73,-0.1 1,-0.3 -74,-0.1 -0.312 112.5 6.3 -52.8 134.6 29.4 23.5 22.2 94 95 A D T 3> S+ 0 0 18 54,-0.1 4,-2.0 -74,-0.1 -1,-0.3 0.670 87.7 147.1 55.6 23.7 30.5 27.1 22.6 95 96 A G H <> + 0 0 3 -3,-2.0 4,-2.1 -6,-0.3 -5,-0.2 0.892 66.4 51.6 -54.3 -48.1 27.5 27.5 24.8 96 97 A A H > S+ 0 0 0 -7,-0.4 4,-2.4 -4,-0.2 -1,-0.3 0.880 109.7 49.3 -55.1 -45.9 29.3 30.1 27.1 97 98 A K H > S+ 0 0 51 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.813 108.3 54.1 -67.9 -31.6 30.3 32.2 24.0 98 99 A V H < S+ 0 0 2 -4,-2.0 -43,-0.2 2,-0.2 -2,-0.2 0.932 112.4 44.8 -65.1 -42.0 26.8 32.1 22.7 99 100 A H H >< S+ 0 0 42 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.902 107.7 56.9 -65.0 -46.9 25.5 33.5 26.0 100 101 A L H 3< S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.836 98.7 61.2 -55.9 -35.7 28.2 36.2 26.4 101 102 A G T 3< S+ 0 0 45 -4,-1.1 2,-0.4 -5,-0.2 -1,-0.3 0.498 95.5 75.3 -76.2 -1.5 27.4 37.9 23.2 102 103 A T S < S- 0 0 24 -3,-1.5 3,-0.1 -4,-0.2 -50,-0.0 -0.885 70.0-131.5-123.5 141.2 23.8 38.8 24.1 103 104 A R - 0 0 83 -2,-0.4 -2,-0.0 1,-0.1 -3,-0.0 -0.445 50.6 -88.5 -69.0 155.9 21.9 41.3 26.2 104 105 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.155 43.2-115.8 -73.8 174.8 19.1 39.7 28.5 105 106 A D >> - 0 0 66 -3,-0.1 4,-2.2 1,-0.1 3,-0.6 -0.785 23.1-102.7-124.8 147.7 15.4 39.0 27.5 106 107 A E H 3> S+ 0 0 79 -2,-0.3 4,-0.8 1,-0.3 3,-0.2 0.804 124.6 39.0 -34.9 -50.1 11.9 40.1 28.5 107 108 A K H >> S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.876 111.9 56.3 -75.1 -36.6 11.4 36.8 30.4 108 109 A Q H <> S+ 0 0 35 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.783 101.9 61.3 -60.1 -25.6 14.9 36.7 31.8 109 110 A Y H 3X S+ 0 0 137 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.816 102.6 47.2 -73.3 -32.5 14.2 40.2 33.2 110 111 A D H X S+ 0 0 91 -4,-2.2 4,-2.7 -5,-0.2 3,-0.7 0.979 109.7 53.7 -65.4 -51.0 13.7 40.7 45.5 118 119 A F H 3X S+ 0 0 23 -4,-2.5 4,-1.3 1,-0.3 -2,-0.2 0.855 110.3 45.9 -47.4 -44.6 14.8 37.4 47.1 119 120 A M H 3<>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -1,-0.3 0.773 111.1 52.6 -72.8 -34.4 18.2 38.8 48.1 120 121 A T H X<5S+ 0 0 55 -4,-1.3 3,-1.9 -3,-0.7 -2,-0.2 0.918 105.6 54.0 -68.4 -40.9 16.7 42.0 49.5 121 122 A E H 3<5S+ 0 0 135 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.855 105.9 54.9 -59.5 -34.5 14.3 40.0 51.7 122 123 A N T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.211 132.1 -89.2 -88.4 15.0 17.3 38.1 53.1 123 124 A G T < 5S+ 0 0 53 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.486 82.8 129.0 102.1 3.2 18.9 41.4 54.1 124 125 A F < - 0 0 13 -5,-2.5 -1,-0.3 -8,-0.1 -2,-0.1 -0.728 55.2-125.8 -85.8 142.1 21.0 42.5 51.2 125 126 A S > - 0 0 61 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.227 34.7-103.4 -60.8 171.4 20.7 46.0 49.8 126 127 A L H > S+ 0 0 106 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.920 121.5 50.2 -66.1 -41.4 20.0 46.2 46.1 127 128 A R H >> S+ 0 0 161 2,-0.2 4,-2.3 1,-0.2 3,-0.8 0.976 113.4 39.8 -59.8 -64.9 23.6 47.1 45.6 128 129 A D H 3> S+ 0 0 52 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.828 116.0 53.8 -61.7 -32.0 25.4 44.4 47.5 129 130 A G H 3X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.796 109.7 47.8 -71.2 -31.9 22.8 41.8 46.3 130 131 A L H - 0 0 66 0, 0.0 4,-2.9 0, 0.0 5,-0.1 -0.806 360.0-106.8-105.4 157.9 58.1 23.1 36.3 155 168 A P H > S+ 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.859 109.1 41.3 -53.0 -65.1 57.2 20.8 39.3 156 169 A L H > S+ 0 0 152 1,-0.2 4,-2.9 2,-0.2 5,-0.0 0.883 119.3 48.0 -56.0 -42.6 54.3 22.3 41.3 157 170 A L H > S+ 0 0 90 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.980 106.2 57.0 -57.9 -59.3 52.5 23.2 38.0 158 171 A R H < S+ 0 0 157 -4,-2.9 -2,-0.2 1,-0.3 4,-0.2 0.886 115.0 38.0 -40.1 -53.5 53.1 19.7 36.6 159 172 A E H >X S+ 0 0 124 -4,-2.4 4,-1.3 2,-0.2 3,-1.0 0.887 116.7 55.8 -67.1 -37.1 51.3 18.3 39.6 160 173 A A H >X S+ 0 0 40 -4,-2.9 4,-1.2 -5,-0.3 3,-1.1 0.972 104.2 49.3 -54.6 -61.5 48.8 21.3 39.4 161 174 A L H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 4,-0.2 0.375 107.9 57.2 -69.7 5.5 47.7 20.8 35.8 162 175 A Q H <> S+ 0 0 119 -3,-1.0 4,-2.4 -5,-0.3 -1,-0.3 0.691 104.8 48.6 -99.2 -31.0 47.0 17.1 36.6 163 176 A I H << S+ 0 0 77 -4,-1.3 -2,-0.2 -3,-1.1 -3,-0.1 0.685 114.5 47.8 -77.0 -19.2 44.6 17.8 39.4 164 177 A M T < S+ 0 0 134 -4,-1.2 -1,-0.2 2,-0.1 -3,-0.1 0.727 117.1 42.3 -88.2 -26.3 42.8 20.3 37.1 165 178 A D T 4 S+ 0 0 107 -5,-0.2 -2,-0.2 -4,-0.2 -3,-0.1 0.851 96.8 72.0 -86.7 -42.6 42.8 17.7 34.2 166 179 A S S < S+ 0 0 86 -4,-2.4 2,-0.3 2,-0.1 -1,-0.2 0.689 111.0 36.6 -41.1 -23.8 41.8 14.6 36.2 167 180 A D S S- 0 0 36 -4,-0.1 0, 0.0 -5,-0.1 0, 0.0 -0.764 91.6-114.7-125.1 169.6 38.4 16.3 36.3 168 181 A D S S- 0 0 83 -2,-0.3 -17,-0.1 -17,-0.0 -3,-0.1 0.448 71.9 -82.1 -86.5 0.0 36.5 18.5 33.8 169 182 A G S > S+ 0 0 22 -23,-0.0 4,-2.1 -22,-0.0 5,-0.1 0.219 100.4 116.9 118.8 -10.2 36.8 21.6 36.1 170 183 A E H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.858 74.2 48.5 -60.0 -44.2 33.8 20.8 38.4 171 184 A Q H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.919 112.1 48.3 -63.4 -48.9 35.9 20.5 41.6 172 185 A A H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 114.9 47.8 -57.3 -40.6 37.7 23.7 41.1 173 186 A F H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.929 111.5 47.7 -65.9 -47.8 34.4 25.4 40.3 174 187 A L H X S+ 0 0 57 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.843 112.2 49.7 -70.3 -33.8 32.5 24.1 43.3 175 188 A H H X S+ 0 0 143 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.963 113.2 45.7 -64.6 -53.5 35.3 25.0 45.7 176 189 A G H X S+ 0 0 22 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.903 107.3 59.6 -59.3 -39.5 35.5 28.6 44.4 177 190 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.953 107.2 46.8 -48.8 -51.5 31.7 28.8 44.5 178 191 A E H X S+ 0 0 80 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.782 109.1 52.9 -63.2 -35.6 31.9 28.1 48.2 179 192 A S H X S+ 0 0 73 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.916 110.4 48.7 -66.2 -41.5 34.6 30.6 48.8 180 193 A L H X S+ 0 0 46 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.941 111.7 48.0 -62.5 -49.1 32.6 33.3 47.0 181 194 A I H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.895 112.2 48.9 -63.4 -42.9 29.3 32.6 49.0 182 195 A R H X S+ 0 0 158 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.862 107.6 55.3 -62.2 -40.9 31.2 32.6 52.4 183 196 A G H X S+ 0 0 42 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.911 109.9 47.0 -57.8 -43.2 32.8 35.9 51.4 184 197 A F H X S+ 0 0 33 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.899 109.2 53.5 -64.3 -45.1 29.4 37.4 50.8 185 198 A E H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 108.6 49.3 -57.9 -41.9 28.1 36.0 54.1 186 199 A V H X S+ 0 0 77 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.900 112.8 48.3 -66.9 -37.0 31.0 37.6 55.9 187 200 A Q H X S+ 0 0 94 -4,-1.9 4,-0.5 2,-0.2 3,-0.4 0.951 114.9 44.8 -58.7 -55.0 30.2 40.9 54.2 188 201 A L H >< S+ 0 0 38 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.915 110.1 52.5 -58.0 -53.7 26.5 40.7 54.9 189 202 A T H 3< S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.759 100.0 65.1 -57.1 -29.3 26.8 39.7 58.6 190 203 A A H >< S+ 0 0 14 -4,-1.1 3,-2.4 -3,-0.4 2,-0.3 0.734 72.9 179.6 -72.2 -23.9 29.1 42.6 59.4 191 204 A L T << S- 0 0 138 -3,-1.3 -1,-0.2 -4,-0.5 4,-0.1 -0.431 74.4 -19.5 60.2-118.6 26.5 45.4 58.7 192 205 A L T 3 S+ 0 0 172 -2,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.338 109.0 113.4 -99.8 7.6 28.4 48.7 59.4 193 206 A Q S < S- 0 0 151 -3,-2.4 2,-0.6 1,-0.1 -3,-0.1 -0.370 82.8 -95.6 -72.3 156.9 31.3 47.2 61.6 194 207 A I 0 0 154 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.643 360.0 360.0 -74.5 118.2 34.9 47.2 60.1 195 208 A V 0 0 110 -2,-0.6 -1,-0.2 -4,-0.1 -8,-0.0 0.697 360.0 360.0-119.8 360.0 35.2 43.8 58.5