==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-JUN-11 3ZQG . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ESCHERICHIA COLI; . AUTHOR M.SEVVANA,D.GOEKE,C.STOECKLE,D.KASPAR,S.GRUBMUELLER,C.GOETZ, . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 73.3 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 3 0 0 1 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 1 A M 0 0 143 0, 0.0 5,-0.1 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -2.4 6.6 23.5 9.1 2 2 A S > + 0 0 77 3,-0.1 3,-2.2 2,-0.1 6,-0.2 0.605 360.0 41.5 -77.3 -52.3 6.0 20.5 11.2 3 3 A R T 3 S+ 0 0 150 1,-0.3 33,-0.1 5,-0.1 32,-0.0 0.822 123.4 43.2 -51.4 -28.8 9.7 20.0 10.2 4 4 A L T 3 S+ 0 0 11 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.111 78.5 137.5-114.7 21.4 9.8 23.8 10.9 5 5 A D <> - 0 0 66 -3,-2.2 4,-2.4 1,-0.1 3,-0.3 -0.411 66.6-115.0 -52.4 140.8 7.8 24.0 14.1 6 6 A K H > S+ 0 0 172 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.927 117.9 50.5 -48.9 -47.3 9.6 26.4 16.5 7 7 A S H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.883 110.9 48.8 -68.1 -31.9 10.2 23.6 18.9 8 8 A K H > S+ 0 0 96 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.825 111.1 49.1 -71.1 -32.4 11.7 21.4 16.1 9 9 A V H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.937 112.1 50.6 -68.3 -46.7 14.0 24.2 14.8 10 10 A I H X S+ 0 0 12 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.979 112.2 45.9 -54.0 -57.1 15.1 24.8 18.4 11 11 A N H X S+ 0 0 77 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.846 112.4 50.7 -56.9 -36.0 15.8 21.0 19.0 12 12 A S H X S+ 0 0 22 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.921 109.7 50.0 -65.2 -44.9 17.7 20.7 15.7 13 13 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.902 109.5 52.3 -56.1 -43.5 19.8 23.7 16.5 14 14 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.914 110.9 46.8 -62.9 -41.6 20.6 22.2 19.9 15 15 A E H X S+ 0 0 109 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.890 112.9 49.1 -71.6 -35.7 21.7 19.0 18.4 16 16 A L H X>S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.928 106.7 56.6 -65.1 -40.1 23.8 20.9 15.8 17 17 A L H X5S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.3 -2,-0.2 0.964 108.3 47.1 -59.0 -49.7 25.3 22.9 18.6 18 18 A N H <5S+ 0 0 73 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.813 113.1 50.1 -56.8 -34.3 26.5 19.7 20.2 19 19 A E H <5S+ 0 0 105 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.916 131.5 9.4 -72.9 -42.1 27.8 18.3 16.9 20 20 A V H X5S- 0 0 47 -4,-2.7 4,-1.2 1,-0.2 -3,-0.2 0.488 96.6-129.1-123.6 -10.6 29.9 21.4 15.8 21 21 A G H X< - 0 0 0 -4,-2.9 4,-2.0 -5,-0.5 -1,-0.2 -0.087 46.2 -60.2 80.7 174.8 30.0 23.9 18.7 22 22 A I H 4 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.2 30,-0.0 0.873 134.7 57.6 -64.3 -39.6 29.2 27.5 18.7 23 23 A E H 4 S+ 0 0 148 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.913 111.5 39.3 -44.3 -60.9 32.0 28.1 16.1 24 24 A G H < S+ 0 0 15 -4,-1.2 -2,-0.2 -7,-0.1 -1,-0.2 0.789 87.0 110.8 -70.1 -32.1 30.6 25.7 13.6 25 25 A L < + 0 0 0 -4,-2.0 2,-0.3 -8,-0.1 3,-0.0 -0.218 40.9 161.4 -53.9 117.4 26.9 26.6 14.0 26 26 A T > - 0 0 51 1,-0.1 4,-1.9 21,-0.0 3,-0.2 -0.971 51.7-121.6-130.7 154.8 25.7 28.4 10.9 27 27 A T H > S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.813 115.2 60.0 -63.0 -21.4 22.1 28.9 9.6 28 28 A R H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 102.7 46.6 -72.1 -44.4 23.4 27.1 6.5 29 29 A K H > S+ 0 0 79 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 111.6 54.1 -68.1 -31.4 24.3 23.9 8.3 30 30 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.953 104.7 53.6 -64.6 -47.9 20.9 24.1 10.0 31 31 A A H X>S+ 0 0 2 -4,-2.5 5,-2.0 1,-0.2 4,-1.3 0.941 111.9 45.2 -52.5 -47.3 19.2 24.4 6.7 32 32 A Q H ><5S+ 0 0 146 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.937 111.1 52.1 -64.0 -45.7 20.9 21.2 5.5 33 33 A K H 3<5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.898 114.6 42.2 -55.5 -42.9 20.2 19.3 8.7 34 34 A L H 3<5S- 0 0 17 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.612 111.2-125.5 -80.1 -13.5 16.5 20.1 8.5 35 35 A G T <<5 + 0 0 54 -4,-1.3 2,-0.3 -3,-0.6 -3,-0.2 0.809 67.3 118.9 78.1 33.3 16.6 19.4 4.8 36 36 A V < - 0 0 26 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.869 69.3 -92.1-127.4 163.0 15.1 22.7 3.6 37 37 A E >> - 0 0 144 -2,-0.3 4,-1.9 1,-0.1 3,-0.7 -0.393 37.5-115.5 -71.7 152.9 16.3 25.6 1.4 38 38 A Q H 3> S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.855 113.4 53.0 -56.7 -38.8 18.1 28.5 3.1 39 39 A P H 3> S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.830 105.8 54.8 -70.2 -25.5 15.4 31.1 2.3 40 40 A T H <> S+ 0 0 66 -3,-0.7 4,-0.8 2,-0.2 3,-0.3 0.932 112.4 42.8 -66.8 -43.3 12.7 28.9 3.7 41 41 A L H >X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 3,-0.9 0.903 106.9 62.0 -69.1 -33.9 14.7 28.7 7.0 42 42 A Y H 3< S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 93.2 64.3 -62.5 -30.7 15.4 32.4 6.7 43 43 A W H 3< S+ 0 0 193 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.911 114.6 32.1 -55.2 -40.7 11.6 33.1 6.9 44 44 A H H << S+ 0 0 64 -3,-0.9 2,-0.4 -4,-0.8 -2,-0.2 0.708 129.4 32.0 -86.0 -28.6 11.7 31.7 10.5 45 45 A V < - 0 0 15 -4,-1.9 -1,-0.3 1,-0.1 3,-0.1 -0.933 61.1-162.5-143.8 111.9 15.1 32.6 11.6 46 46 A K - 0 0 131 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.864 63.5 -30.2 -65.6 -42.3 16.8 35.8 10.5 47 47 A N > - 0 0 48 1,-0.1 4,-2.0 -21,-0.0 5,-0.1 -0.963 68.7 -77.4-169.4 173.2 20.5 35.0 11.4 48 48 A K H > S+ 0 0 71 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.908 123.7 54.2 -56.8 -45.6 23.0 33.3 13.7 49 49 A R H > S+ 0 0 189 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 107.5 46.9 -56.3 -54.7 22.5 35.8 16.4 50 50 A A H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.857 112.4 53.8 -55.3 -33.6 18.7 35.5 16.6 51 51 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.958 107.1 48.3 -69.0 -49.3 19.1 31.7 16.7 52 52 A L H X S+ 0 0 23 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.918 106.2 58.3 -54.0 -44.5 21.6 31.8 19.6 53 53 A D H X S+ 0 0 36 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.956 108.5 46.4 -54.9 -45.1 19.2 34.1 21.6 54 54 A A H X S+ 0 0 33 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.894 112.8 49.1 -63.1 -39.1 16.5 31.4 21.2 55 55 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.932 110.0 51.5 -64.7 -44.1 19.0 28.6 22.3 56 56 A A H X S+ 0 0 5 -4,-3.1 4,-2.1 43,-0.2 -2,-0.2 0.959 113.3 45.3 -55.0 -52.5 20.2 30.6 25.3 57 57 A I H X S+ 0 0 48 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.911 111.6 51.6 -67.1 -40.7 16.5 31.1 26.4 58 58 A E H X S+ 0 0 56 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.929 107.4 51.9 -60.2 -52.8 15.5 27.5 25.8 59 59 A M H X S+ 0 0 7 -4,-2.8 4,-2.0 1,-0.2 5,-0.5 0.945 110.9 48.5 -44.8 -56.6 18.4 26.1 27.9 60 60 A L H X S+ 0 0 13 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.865 110.7 52.7 -53.1 -39.7 17.4 28.4 30.8 61 61 A D H < S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 113.7 41.3 -63.4 -43.8 13.7 27.2 30.4 62 62 A R H < S+ 0 0 91 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.819 134.1 13.6 -72.7 -30.7 14.5 23.6 30.6 63 63 A H H < S+ 0 0 66 -4,-2.0 2,-1.7 -5,-0.3 3,-0.2 0.682 101.2 80.0-127.8 -25.5 17.1 23.7 33.3 64 64 A H < + 0 0 5 -4,-1.7 3,-0.2 -5,-0.5 -1,-0.2 -0.629 53.4 139.9 -91.0 79.4 17.2 26.9 35.2 65 65 A T + 0 0 99 -2,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.420 51.8 67.8-104.5 -5.1 14.3 26.0 37.4 66 66 A H + 0 0 31 -3,-0.2 -1,-0.2 15,-0.2 19,-0.2 -0.320 58.2 128.0-112.3 55.8 15.4 27.4 40.8 67 67 A F + 0 0 87 -3,-0.2 -1,-0.2 -2,-0.1 49,-0.1 0.417 64.3 46.4 -93.1 0.1 15.3 31.1 40.0 68 68 A S S S- 0 0 48 -3,-0.2 2,-0.1 154,-0.1 48,-0.0 -0.994 92.9 -87.8-143.5 160.0 13.2 32.2 42.9 69 69 A P - 0 0 35 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.340 38.7-129.6 -69.7 130.8 13.0 31.6 46.6 70 70 A L > - 0 0 102 1,-0.2 3,-2.1 4,-0.1 2,-0.1 -0.401 51.0 -67.5 -71.2 154.3 11.0 28.7 47.9 71 71 A E T 3 S- 0 0 193 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.208 121.2 -10.2 -47.2 108.3 8.5 29.3 50.7 72 72 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.874 91.3 158.8 61.9 41.3 10.7 30.2 53.7 73 73 A E < - 0 0 24 -3,-2.1 -1,-0.2 1,-0.1 2,-0.1 -0.678 43.9-116.5 -84.4 147.5 14.0 29.2 52.1 74 74 A S > - 0 0 38 -2,-0.3 4,-1.6 1,-0.1 -4,-0.1 -0.481 22.9-115.6 -77.8 160.7 17.0 30.8 53.8 75 75 A W H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.887 116.0 55.0 -67.2 -33.6 19.0 33.2 51.6 76 76 A Q H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.974 109.3 46.5 -58.8 -54.3 22.1 30.9 51.8 77 77 A D H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.847 113.8 50.5 -59.4 -26.3 20.1 28.0 50.5 78 78 A F H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.984 109.9 46.4 -75.9 -58.0 18.6 30.2 47.8 79 79 A L H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.927 115.1 49.7 -44.1 -49.8 21.9 31.5 46.5 80 80 A R H X S+ 0 0 50 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.959 114.8 41.7 -61.7 -49.3 23.3 28.0 46.6 81 81 A N H X S+ 0 0 45 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.814 113.5 52.4 -71.9 -28.7 20.4 26.4 44.7 82 82 A N H X S+ 0 0 15 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.925 109.3 49.4 -70.3 -45.4 20.1 29.2 42.2 83 83 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.948 112.4 48.7 -59.3 -43.4 23.8 29.0 41.4 84 84 A K H X S+ 0 0 67 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.887 112.6 48.3 -62.8 -37.0 23.6 25.2 40.9 85 85 A S H X S+ 0 0 7 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.918 110.1 49.2 -73.3 -45.8 20.5 25.6 38.7 86 86 A F H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 3,-0.4 0.930 111.7 52.7 -57.5 -39.5 22.0 28.3 36.5 87 87 A R H X S+ 0 0 22 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.871 103.1 54.8 -68.2 -35.3 25.0 26.1 36.2 88 88 A N H < S+ 0 0 82 -4,-1.8 4,-0.4 2,-0.2 -1,-0.3 0.827 108.4 52.2 -66.2 -26.2 23.0 23.1 35.1 89 89 A A H >< S+ 0 0 0 -4,-1.5 3,-1.9 -3,-0.4 4,-0.4 0.979 109.4 46.3 -72.7 -53.5 21.6 25.3 32.3 90 90 A L H >< S+ 0 0 5 -4,-2.3 3,-0.6 1,-0.3 7,-0.3 0.830 115.2 48.0 -54.3 -36.2 25.0 26.4 31.0 91 91 A L T 3< S+ 0 0 53 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.540 85.7 89.7 -81.5 -10.2 26.3 22.8 31.1 92 92 A S T < S+ 0 0 36 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.2 0.796 95.4 24.8 -69.6 -23.9 23.3 21.3 29.3 93 93 A H S X S- 0 0 22 -3,-0.6 3,-2.1 -4,-0.4 4,-0.2 -0.947 97.2 -82.9-134.7 157.5 24.8 21.8 25.8 94 94 A R T 3 S+ 0 0 90 -2,-0.3 -74,-0.1 1,-0.3 -75,-0.1 -0.320 118.5 7.8 -51.8 134.1 28.3 22.2 24.3 95 95 A D T >> S+ 0 0 4 54,-0.1 4,-2.3 50,-0.1 3,-0.8 0.654 83.6 153.7 63.3 22.2 29.4 25.8 24.6 96 96 A G H <> + 0 0 1 -3,-2.1 4,-2.0 -6,-0.3 -5,-0.2 0.858 67.8 51.6 -44.4 -44.4 26.4 26.5 26.8 97 97 A A H 3> S+ 0 0 0 -7,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.866 109.3 47.3 -73.4 -31.9 28.1 29.3 28.5 98 98 A K H <4 S+ 0 0 52 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.850 109.2 55.0 -77.0 -30.0 29.2 31.2 25.3 99 99 A V H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.940 109.5 48.0 -64.3 -43.7 25.8 30.8 23.9 100 100 A H H < S+ 0 0 8 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.851 90.7 96.8 -63.3 -44.3 24.5 32.5 27.0 101 101 A L S < S+ 0 0 78 -4,-2.0 -45,-0.1 -5,-0.1 -3,-0.0 -0.177 95.1 6.1 -45.7 134.1 27.0 35.3 26.9 102 102 A G S S+ 0 0 61 1,-0.2 2,-0.3 115,-0.0 -1,-0.1 0.869 86.3 130.8 43.1 92.1 25.6 38.4 25.2 103 103 A T - 0 0 9 -47,-0.0 -1,-0.2 -49,-0.0 117,-0.1 -0.753 63.8-103.6-155.4 149.9 21.9 37.5 24.7 104 104 A R - 0 0 160 -2,-0.3 2,-0.3 1,-0.1 113,-0.0 -0.461 33.1-111.4 -80.3 148.6 19.4 40.1 25.9 105 105 A P - 0 0 10 0, 0.0 115,-0.1 0, 0.0 2,-0.1 -0.696 32.9-127.5 -76.4 135.1 17.6 39.6 29.1 106 106 A T > - 0 0 36 -2,-0.3 4,-1.7 113,-0.2 3,-0.3 -0.404 24.4-104.7 -74.8 161.4 13.8 39.0 28.7 107 107 A E H > S+ 0 0 165 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.831 120.8 54.3 -52.5 -44.4 11.1 41.0 30.6 108 108 A K H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 104.9 56.8 -61.9 -36.8 10.3 38.1 33.0 109 109 A Q H > S+ 0 0 5 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.927 105.1 49.2 -63.4 -43.1 14.0 38.0 33.8 110 110 A Y H X S+ 0 0 89 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.936 111.4 50.9 -56.5 -41.0 14.1 41.6 34.9 111 111 A E H X S+ 0 0 120 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.873 109.4 50.3 -64.5 -38.4 11.0 40.9 37.0 112 112 A T H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.911 106.8 54.6 -70.4 -41.5 12.8 37.9 38.5 113 113 A L H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.953 107.0 52.0 -51.2 -51.7 15.8 40.1 39.3 114 114 A E H X S+ 0 0 129 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.902 111.3 45.4 -52.8 -49.0 13.5 42.5 41.1 115 115 A N H X S+ 0 0 92 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.853 108.3 57.1 -63.8 -37.4 12.0 39.7 43.3 116 116 A Q H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.929 111.8 42.6 -62.6 -41.2 15.4 38.3 44.0 117 117 A L H X S+ 0 0 21 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.915 109.8 55.5 -68.7 -47.1 16.4 41.7 45.4 118 118 A A H X S+ 0 0 30 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.948 112.6 46.1 -47.1 -49.7 13.1 42.1 47.3 119 119 A F H X S+ 0 0 28 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.958 112.4 46.6 -61.6 -56.6 13.8 38.8 49.0 120 120 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.6 1,-0.2 3,-0.9 0.892 114.0 47.6 -57.3 -42.5 17.4 39.4 49.9 121 121 A T H ><5S+ 0 0 51 -4,-2.9 3,-2.4 1,-0.3 -1,-0.2 0.888 106.6 57.6 -68.6 -35.5 16.8 42.9 51.3 122 122 A Q H 3<5S+ 0 0 147 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.593 102.2 58.1 -68.2 -11.6 13.8 41.5 53.3 123 123 A Q T <<5S- 0 0 81 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.271 132.8 -92.1 -96.5 8.2 16.4 39.2 54.8 124 124 A G T < 5S+ 0 0 45 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.617 79.2 136.9 98.6 11.4 18.4 42.1 56.0 125 125 A F < - 0 0 14 -5,-1.6 -1,-0.3 1,-0.0 -2,-0.1 -0.709 55.4-120.9 -81.9 144.4 20.9 42.8 53.2 126 126 A S > - 0 0 55 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.410 30.0-111.4 -68.3 159.2 21.5 46.4 52.1 127 127 A L H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.942 119.6 55.8 -61.2 -42.4 20.6 46.9 48.4 128 128 A E H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.952 111.1 42.6 -48.9 -55.5 24.4 47.4 47.8 129 129 A N H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.785 108.6 57.5 -68.6 -29.0 25.3 44.0 49.3 130 130 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.939 110.6 45.0 -64.5 -42.4 22.4 42.1 47.7 131 131 A L H X S+ 0 0 50 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.916 111.8 51.4 -67.4 -46.9 23.7 43.2 44.3 132 132 A Y H X S+ 0 0 135 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.885 111.6 49.0 -56.2 -40.2 27.3 42.4 45.2 133 133 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.932 113.8 42.7 -69.4 -44.6 26.2 38.9 46.3 134 134 A L H X S+ 0 0 11 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.861 115.9 51.5 -69.5 -38.5 24.1 38.0 43.2 135 135 A S H X S+ 0 0 32 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.949 111.1 45.7 -61.5 -49.7 26.8 39.5 41.0 136 136 A A H X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.952 112.3 49.7 -67.2 -40.1 29.6 37.5 42.6 137 137 A V H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 113.4 48.9 -64.0 -36.8 27.8 34.2 42.6 138 138 A G H X S+ 0 0 6 -4,-1.7 4,-2.9 -5,-0.2 5,-0.2 0.929 111.6 46.2 -68.9 -49.8 27.0 34.8 38.9 139 139 A H H X S+ 0 0 108 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.969 113.0 50.5 -55.5 -49.1 30.4 35.7 37.8 140 140 A F H X S+ 0 0 61 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.903 114.3 44.5 -56.8 -42.5 31.9 32.8 39.7 141 141 A T H X S+ 0 0 1 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.914 114.4 47.2 -72.0 -41.2 29.4 30.4 38.1 142 142 A L H >X S+ 0 0 27 -4,-2.9 4,-2.3 1,-0.2 3,-0.6 0.968 113.1 49.9 -66.4 -50.8 29.8 31.7 34.6 143 143 A G H 3X S+ 0 0 39 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.856 107.3 55.3 -55.3 -40.2 33.6 31.7 34.9 144 144 A S H 3X S+ 0 0 34 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.890 111.6 43.8 -56.5 -43.1 33.5 28.0 36.2 145 145 A V H X S+ 0 0 133 -4,-1.8 4,-1.5 1,-0.2 3,-0.8 0.953 112.4 49.5 -55.4 -53.4 36.6 27.1 31.7 148 148 A D H 3X S+ 0 0 48 -4,-2.2 4,-0.7 1,-0.3 -1,-0.2 0.849 116.9 42.7 -57.1 -31.1 35.1 23.6 32.0 149 149 A Q H 3X S+ 0 0 17 -4,-2.3 4,-0.7 -3,-0.2 -1,-0.3 0.629 103.2 63.9 -91.1 -19.1 33.7 23.9 28.5 150 150 A E H X S+ 0 0 83 -4,-1.5 4,-1.3 1,-0.2 3,-0.8 0.932 101.6 38.0 -53.6 -63.7 38.6 22.1 27.8 152 152 A Q H 3< S+ 0 0 87 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.594 114.7 55.8 -76.6 -12.1 36.9 19.6 25.6 153 153 A V H 3< S+ 0 0 32 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.648 114.6 40.5 -79.7 -24.5 36.7 22.1 22.7 154 154 A A H - 0 0 93 1,-0.1 3,-1.9 -3,-0.1 4,-0.4 -0.345 40.2-112.7 -61.0 141.1 52.2 13.9 29.6 163 163 A T T 3 S+ 0 0 72 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 0.673 112.0 58.3 -44.0 -23.5 51.2 13.4 33.3 164 164 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.2 7,-0.0 -2,-0.1 0.321 90.1 64.6-103.7 3.8 54.9 12.2 34.1 165 165 A S S < S+ 0 0 75 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.1 0.474 85.2 110.5 -94.0 -6.9 56.9 15.3 33.0 166 166 A M S S- 0 0 42 -4,-0.4 5,-0.1 -3,-0.4 -3,-0.0 -0.395 78.5-106.5 -76.0 143.0 55.2 17.3 35.8 167 167 A P > - 0 0 74 0, 0.0 4,-1.5 0, 0.0 3,-0.2 -0.234 48.3-101.3 -52.8 155.5 56.7 18.7 39.0 168 168 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.796 117.7 50.2 -68.5 -31.6 55.5 16.6 41.9 169 169 A L H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.941 111.5 49.0 -62.6 -47.1 52.7 18.9 43.3 170 170 A L H > S+ 0 0 92 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.815 108.4 57.4 -61.1 -28.5 51.2 19.4 39.8 171 171 A R H X S+ 0 0 98 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.912 106.5 44.7 -76.2 -41.8 51.4 15.6 39.5 172 172 A Q H X S+ 0 0 127 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.825 109.1 59.7 -65.1 -33.8 49.2 15.0 42.7 173 173 A A H X S+ 0 0 41 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.904 103.7 50.4 -60.5 -41.2 46.9 17.8 41.4 174 174 A I H X S+ 0 0 52 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.958 110.0 49.5 -59.2 -53.2 46.3 15.7 38.2 175 175 A E H X S+ 0 0 120 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.906 113.3 48.4 -46.2 -50.7 45.5 12.5 40.2 176 176 A L H X S+ 0 0 86 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.917 113.6 42.5 -64.9 -47.1 43.1 14.5 42.3 177 177 A F H X S+ 0 0 114 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.804 109.8 60.8 -73.6 -28.6 41.2 16.2 39.5 178 178 A D H < S+ 0 0 133 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.948 110.1 41.1 -52.6 -50.9 41.1 12.9 37.7 179 179 A H H < S+ 0 0 171 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.1 0.923 127.5 27.8 -70.4 -44.1 39.2 11.4 40.5 180 180 A Q H < S- 0 0 90 -4,-2.4 3,-0.4 1,-0.2 2,-0.3 0.738 83.9-153.7 -99.0 -18.9 36.8 14.2 41.3 181 181 A G < - 0 0 37 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 -0.615 48.7 -62.7 78.8-144.8 36.2 16.2 38.1 182 182 A A S > S+ 0 0 39 -2,-0.3 4,-2.0 2,-0.1 -1,-0.2 0.550 112.7 85.0-123.1 -19.0 35.2 19.8 38.5 183 183 A E H > S+ 0 0 99 -3,-0.4 4,-3.2 1,-0.2 5,-0.3 0.941 89.0 53.5 -53.9 -50.0 31.9 19.7 40.4 184 184 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.881 108.6 50.2 -56.6 -41.8 33.5 19.5 43.9 185 185 A A H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.903 111.5 48.5 -59.6 -45.6 35.6 22.6 43.2 186 186 A F H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.972 112.6 47.1 -58.7 -54.3 32.6 24.5 42.1 187 187 A L H X S+ 0 0 57 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.898 112.5 50.6 -54.8 -42.3 30.6 23.5 45.1 188 188 A H H X S+ 0 0 138 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.933 112.5 45.5 -60.6 -47.6 33.5 24.3 47.5 189 189 A G H X S+ 0 0 21 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.918 111.3 52.6 -63.2 -44.1 33.9 27.8 46.0 190 190 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.948 110.6 48.9 -54.3 -48.3 30.2 28.5 46.0 191 191 A E H X S+ 0 0 79 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.859 109.2 51.5 -67.3 -34.3 30.2 27.5 49.6 192 192 A S H X S+ 0 0 66 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.910 109.9 50.2 -65.2 -43.4 33.1 29.8 50.4 193 193 A L H X S+ 0 0 45 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.936 111.2 48.0 -55.4 -48.7 31.4 32.8 48.7 194 194 A I H >X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.956 111.5 49.8 -65.8 -43.7 28.3 32.3 50.6 195 195 A R H 3X S+ 0 0 154 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.934 108.2 54.7 -55.3 -45.0 30.2 31.9 53.9 196 196 A G H 3X S+ 0 0 40 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.794 109.1 47.3 -60.0 -31.2 32.1 35.2 53.1 197 197 A F H X S+ 0 0 79 -4,-1.5 3,-1.7 -5,-0.2 4,-0.7 0.956 108.4 42.9 -49.5 -63.4 29.6 40.3 55.7 201 201 A L H 3< S+ 0 0 36 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 107.7 60.9 -63.1 -31.0 25.9 40.5 56.7 202 202 A T H 3< S+ 0 0 114 -4,-1.9 -1,-0.3 -5,-0.3 3,-0.3 0.660 93.9 67.3 -70.5 -22.2 26.8 39.7 60.4 203 203 A A H X< + 0 0 20 -3,-1.7 3,-2.0 -4,-0.8 2,-1.0 0.978 65.3 135.9 -54.9 -60.5 28.9 43.0 60.2 204 204 A L T 3< S+ 0 0 138 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 -0.254 81.4 15.2 49.8 -88.6 25.6 45.0 59.9 205 205 A L T 3 S+ 0 0 155 -2,-1.0 -1,-0.3 -3,-0.3 2,-0.2 0.418 127.0 12.3 -91.4 -6.3 26.6 47.8 62.4 206 206 A Q S < S- 0 0 157 -3,-2.0 2,-0.3 -4,-0.1 0, 0.0 -0.789 81.5 -32.1-161.6-156.6 30.4 47.3 62.6 207 207 A I 0 0 154 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.546 360.0 360.0-104.9 132.6 33.9 46.1 61.9 208 208 A V 0 0 122 -2,-0.3 -1,-0.1 -8,-0.0 -8,-0.0 0.500 360.0 360.0-143.8 360.0 35.1 42.8 60.5 209 !* 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 0.0 210 4 C R > 0 0 244 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -74.5 26.9 52.5 32.7 211 5 C G H >> + 0 0 49 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.893 360.0 63.1 -58.4 -42.4 24.5 51.4 35.5 212 6 C R H 3> S+ 0 0 213 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.809 102.1 50.2 -54.5 -34.0 22.0 50.2 32.9 213 7 C W H 3> S+ 0 0 164 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.768 105.0 54.8 -78.7 -30.2 24.4 47.6 31.6 214 8 C Q H < S+ 0 0 17 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.906 109.0 53.6 -73.0 -39.8 22.4 40.5 36.4 219 13 C A H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.809 97.9 67.5 -64.3 -33.6 19.0 40.1 34.8 220 14 C K H 3< S+ 0 0 18 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.817 92.7 60.1 -54.5 -34.4 20.5 37.8 32.2 221 15 C R T << 0 0 25 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 0.018 360.0 360.0 -87.4 32.1 21.2 35.2 34.9 222 16 C C < 0 0 6 -3,-1.1 -113,-0.1 -2,-0.1 -158,-0.1 -0.745 360.0 360.0-120.1 360.0 17.5 34.6 36.0