==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 02-MAR-95 2TCT . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HINRICHS,C.KISKER,W.SAENGER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 73.2 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 61.1 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 1 1 1 0 0 0 1 0 0 0 0 0 1 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 A 0 0 93 0, 0.0 2,-0.4 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 152.4 11.6 21.4 6.5 2 3 A R - 0 0 183 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.796 360.0-165.5 -89.9 138.6 9.1 22.8 9.0 3 4 A L + 0 0 25 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 -0.163 36.0 128.8-126.8 43.0 10.1 26.4 9.7 4 5 A N S > S- 0 0 61 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.517 77.1 -93.0 -84.6 172.3 8.3 27.5 12.8 5 6 A R H > S+ 0 0 141 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 121.8 51.9 -55.5 -48.1 10.4 29.1 15.5 6 7 A E H > S+ 0 0 127 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.878 111.1 45.8 -61.3 -41.1 11.0 25.8 17.5 7 8 A S H > S+ 0 0 32 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.898 112.7 51.0 -73.2 -32.5 12.2 23.7 14.6 8 9 A V H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.972 113.1 46.1 -62.5 -48.6 14.5 26.6 13.4 9 10 A I H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.953 113.1 51.8 -57.9 -49.2 15.9 26.8 17.1 10 11 A D H X S+ 0 0 61 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.923 111.4 43.4 -53.0 -47.5 16.3 23.0 17.1 11 12 A A H X S+ 0 0 10 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.887 113.9 53.2 -68.0 -33.5 18.3 22.8 13.8 12 13 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.911 109.6 46.7 -70.4 -38.4 20.4 25.8 14.9 13 14 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.935 113.5 50.0 -65.8 -40.7 21.3 24.0 18.3 14 15 A E H X S+ 0 0 103 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.960 112.2 46.8 -60.6 -49.3 22.0 20.9 16.3 15 16 A L H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 5,-0.5 0.845 106.0 58.6 -65.4 -35.6 24.2 22.9 14.0 16 17 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.946 105.4 51.3 -62.9 -41.7 26.0 24.7 16.9 17 18 A N H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.5 41.8 -59.8 -37.4 27.1 21.2 18.3 18 19 A E H < S+ 0 0 107 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.884 132.8 16.2 -74.9 -44.0 28.5 20.3 14.9 19 20 A T H X S- 0 0 46 -4,-2.8 4,-0.5 -5,-0.1 3,-0.3 0.626 92.6-132.7-106.8 -19.9 30.2 23.6 13.9 20 21 A G T < - 0 0 1 -4,-2.6 3,-0.4 -5,-0.5 4,-0.2 -0.077 46.4 -61.6 75.9 177.8 30.6 25.8 16.9 21 22 A I T 4 S+ 0 0 19 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.736 131.7 51.0 -78.2 -23.3 29.7 29.3 16.9 22 23 A D T 4 S+ 0 0 127 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.764 112.4 48.5 -86.8 -20.9 32.0 30.7 14.3 23 24 A G S < S+ 0 0 22 -4,-0.5 2,-0.7 -3,-0.4 -1,-0.2 0.361 88.1 100.2 -96.9 6.3 30.9 28.1 11.8 24 25 A L + 0 0 0 -3,-0.3 2,-0.3 -4,-0.2 3,-0.1 -0.834 49.4 153.8 -93.6 118.3 27.3 28.7 12.5 25 26 A T > - 0 0 44 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.977 58.1-114.8-136.3 157.1 26.0 30.9 9.7 26 27 A T H > S+ 0 0 44 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.908 118.0 57.4 -61.7 -32.6 22.5 31.5 8.2 27 28 A R H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.959 110.2 42.6 -64.9 -46.8 24.0 29.9 4.9 28 29 A K H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 114.2 51.5 -63.4 -35.3 24.9 26.8 6.7 29 30 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 107.6 52.1 -68.7 -40.2 21.6 26.7 8.6 30 31 A A H X>S+ 0 0 1 -4,-2.9 5,-1.9 2,-0.2 4,-1.1 0.966 111.1 48.1 -59.0 -49.6 19.6 27.1 5.3 31 32 A Q H ><5S+ 0 0 107 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.930 110.8 50.7 -57.0 -44.7 21.5 24.1 3.8 32 33 A K H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.916 114.2 44.1 -59.0 -41.7 20.9 22.1 7.0 33 34 A L H 3<5S- 0 0 20 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.591 112.5-126.7 -79.3 -7.9 17.2 22.9 6.8 34 35 A G T <<5 + 0 0 62 -4,-1.1 2,-0.3 -3,-0.9 -3,-0.2 0.918 69.1 114.4 66.9 42.7 17.3 22.2 3.0 35 36 A I S > - 0 0 141 -2,-0.3 4,-2.1 -3,-0.1 3,-0.7 -0.507 37.1-111.4 -78.8 151.8 17.1 28.5 0.1 37 38 A Q H 3> S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.820 115.3 56.5 -61.5 -32.3 18.5 31.4 2.0 38 39 A P H 3> S+ 0 0 97 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.858 107.2 51.5 -61.5 -34.1 15.6 33.9 1.0 39 40 A T H X> S+ 0 0 59 -3,-0.7 3,-0.9 2,-0.2 4,-0.8 0.975 111.4 46.5 -65.7 -48.9 13.2 31.3 2.6 40 41 A L H >X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 3,-1.7 0.934 105.8 60.1 -57.7 -47.2 15.5 31.3 5.7 41 42 A Y H 3< S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.747 95.9 61.4 -49.5 -36.0 15.6 35.2 5.8 42 43 A W H << S+ 0 0 190 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.880 118.4 28.6 -61.3 -34.5 11.8 35.4 6.1 43 44 A H H << S+ 0 0 75 -3,-1.7 2,-0.5 -4,-0.8 -2,-0.2 0.905 130.0 31.0 -92.8 -48.6 12.2 33.5 9.5 44 45 A V < - 0 0 13 -4,-2.6 -1,-0.3 1,-0.1 3,-0.1 -0.961 63.0-166.4-118.3 110.2 15.6 34.4 10.8 45 46 A K - 0 0 105 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.870 64.0 -23.9 -68.7 -36.9 16.9 37.9 9.9 46 47 A N > - 0 0 77 1,-0.1 4,-1.8 -20,-0.0 -1,-0.2 -0.984 66.1 -87.3-164.5 171.4 20.6 37.4 10.9 47 48 A K H > S+ 0 0 67 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.889 120.5 53.8 -59.4 -37.2 23.1 35.6 13.0 48 49 A R H > S+ 0 0 126 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.926 108.0 50.9 -63.8 -42.8 22.7 38.0 16.1 49 50 A A H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 113.6 46.6 -58.4 -41.3 19.0 37.4 16.1 50 51 A L H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.952 112.5 46.2 -68.9 -51.5 19.7 33.7 16.1 51 52 A L H X S+ 0 0 11 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.953 111.1 55.0 -62.7 -40.1 22.4 33.7 18.8 52 53 A D H X S+ 0 0 68 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.923 111.5 43.6 -56.0 -41.2 20.2 35.9 21.0 53 54 A A H X S+ 0 0 14 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.850 111.2 53.2 -74.2 -36.2 17.4 33.4 20.7 54 55 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.964 104.6 56.2 -64.3 -43.0 19.7 30.4 21.3 55 56 A A H X S+ 0 0 8 -4,-2.6 4,-1.2 43,-0.2 -2,-0.2 0.913 112.8 42.9 -56.8 -40.4 21.1 32.0 24.6 56 57 A V H X S+ 0 0 13 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.947 115.1 49.2 -70.3 -45.7 17.4 32.2 25.8 57 58 A E H X S+ 0 0 30 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.830 104.0 56.1 -65.0 -39.6 16.5 28.7 24.7 58 59 A I H X S+ 0 0 4 -4,-2.9 4,-1.7 2,-0.2 5,-0.3 0.948 114.6 41.1 -61.2 -41.1 19.5 26.9 26.1 59 60 A L H X S+ 0 0 19 -4,-1.2 4,-3.0 -5,-0.3 3,-0.4 0.978 115.1 51.4 -71.2 -46.0 18.5 28.3 29.6 60 61 A A H < S+ 0 0 68 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.896 119.5 37.1 -52.8 -43.5 14.8 27.7 29.0 61 62 A R H < S+ 0 0 72 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.719 135.7 14.4 -76.4 -31.0 15.5 24.2 28.1 62 63 A H H < S+ 0 0 40 -4,-1.7 2,-1.3 -3,-0.4 -3,-0.2 0.574 94.9 89.1-130.3 -10.1 18.3 23.3 30.5 63 64 A H < + 0 0 24 -4,-3.0 3,-0.2 -5,-0.3 -1,-0.1 -0.759 46.9 163.9 -94.7 92.1 18.7 25.7 33.3 64 65 A D + 0 0 135 -2,-1.3 2,-1.1 1,-0.2 3,-0.3 0.786 59.1 63.3 -84.7 -24.6 16.3 24.1 35.8 65 66 A Y + 0 0 67 15,-0.2 -1,-0.2 1,-0.2 19,-0.2 -0.471 59.9 130.2 -97.9 64.3 17.2 25.7 39.1 66 67 A S + 0 0 28 -2,-1.1 -1,-0.2 -3,-0.2 49,-0.1 0.742 65.4 43.2 -88.9 -19.8 16.3 29.3 38.2 67 68 A L S S- 0 0 60 -3,-0.3 2,-0.1 47,-0.0 45,-0.0 -0.892 90.2-100.0-124.1 150.1 14.2 30.1 41.4 68 69 A P - 0 0 28 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.413 37.0-118.2 -63.5 142.5 14.6 29.3 45.1 69 70 A A > - 0 0 50 1,-0.1 3,-1.8 4,-0.1 2,-0.1 -0.412 51.0 -75.3 -69.0 162.9 12.7 26.4 46.6 70 71 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.427 120.6 4.7 -67.1 125.8 10.2 27.3 49.4 71 72 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.360 93.7 148.2 81.4 -3.5 12.2 28.1 52.5 72 73 A E < - 0 0 23 -3,-1.8 -1,-0.2 1,-0.1 2,-0.1 -0.356 47.8-118.7 -66.5 137.6 15.6 27.7 50.8 73 74 A S > - 0 0 55 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.398 21.0-114.3 -67.0 158.3 18.4 29.9 52.2 74 75 A W H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.897 116.8 54.4 -64.1 -30.4 20.1 32.5 49.9 75 76 A Q H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 110.6 43.6 -66.8 -47.0 23.3 30.4 50.2 76 77 A S H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 111.8 53.6 -66.6 -44.1 21.7 27.3 49.0 77 78 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.976 110.5 47.9 -59.1 -50.0 19.8 29.0 46.2 78 79 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.902 112.0 49.0 -58.1 -41.6 23.1 30.5 44.9 79 80 A R H X S+ 0 0 71 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.971 116.7 41.3 -57.4 -52.9 24.9 27.2 45.0 80 81 A N H X S+ 0 0 41 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.885 114.4 51.0 -67.4 -38.7 22.2 25.4 43.2 81 82 A N H X S+ 0 0 13 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.876 110.2 50.2 -68.3 -34.9 21.5 28.1 40.7 82 83 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.892 110.0 49.2 -72.4 -39.9 25.2 28.4 39.8 83 84 A M H X S+ 0 0 48 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.900 112.1 48.1 -69.4 -38.7 25.5 24.7 39.3 84 85 A S H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.894 110.4 52.5 -65.5 -42.5 22.4 24.6 37.0 85 86 A F H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.960 110.7 47.6 -59.1 -47.7 23.8 27.6 35.1 86 87 A R H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.894 111.6 50.7 -54.1 -49.2 27.1 25.7 34.5 87 88 A R H X S+ 0 0 89 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.856 111.4 47.3 -58.6 -47.5 25.2 22.6 33.4 88 89 A A H < S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 3,-0.4 0.903 113.1 49.1 -64.4 -41.2 23.1 24.5 30.9 89 90 A L H < S+ 0 0 2 -4,-2.3 7,-0.6 1,-0.2 6,-0.4 0.759 111.7 48.5 -67.6 -32.4 26.1 26.3 29.4 90 91 A L H < S+ 0 0 42 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.677 88.9 83.6 -80.3 -21.0 28.1 23.2 29.0 91 92 A R S < S+ 0 0 120 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.2 0.786 95.4 42.4 -55.4 -28.7 25.2 21.2 27.3 92 93 A Y S > S- 0 0 29 -4,-0.4 3,-3.1 -3,-0.3 4,-0.3 -0.960 97.9 -94.6-126.3 145.7 26.2 22.7 23.8 93 94 A R T 3 S+ 0 0 106 -2,-0.3 -73,-0.1 1,-0.3 -74,-0.1 -0.248 115.6 1.4 -50.3 130.1 29.5 23.4 22.0 94 95 A D T 3> S+ 0 0 10 -74,-0.1 4,-1.9 1,-0.1 -1,-0.3 0.676 85.8 150.2 51.4 26.9 30.4 27.0 22.8 95 96 A G H <> S+ 0 0 2 -3,-3.1 4,-1.7 -6,-0.4 3,-0.2 0.904 72.2 49.5 -51.9 -44.8 27.2 27.4 25.0 96 97 A A H > S+ 0 0 0 -7,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.877 108.4 50.6 -69.3 -39.1 29.0 30.0 27.2 97 98 A K H 4 S+ 0 0 57 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.823 107.8 55.8 -67.3 -26.3 30.2 32.1 24.2 98 99 A V H < S+ 0 0 1 -4,-1.9 -43,-0.2 -3,-0.2 -2,-0.2 0.901 111.2 44.8 -68.3 -35.2 26.5 32.0 23.0 99 100 A H H >< S+ 0 0 37 -4,-1.7 3,-2.3 -5,-0.2 -2,-0.2 0.885 88.6 111.5 -71.2 -43.2 25.5 33.5 26.4 100 101 A L T 3< S+ 0 0 87 -4,-2.2 3,-0.1 1,-0.3 -45,-0.1 -0.018 86.2 6.3 -39.1 124.8 28.3 36.1 26.5 101 102 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.194 95.0 125.2 86.2 -14.7 27.1 39.6 26.2 102 103 A T < - 0 0 31 -3,-2.3 -1,-0.3 -4,-0.1 -3,-0.0 -0.186 46.3-150.6 -69.7 168.2 23.3 38.9 26.3 103 104 A R - 0 0 210 -3,-0.1 -1,-0.0 1,-0.0 0, 0.0 -0.841 44.9 -64.5-127.7 161.9 21.1 40.7 28.9 104 105 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.249 56.5-134.5 -52.6 128.8 17.8 39.1 30.4 105 106 A D >> - 0 0 36 1,-0.1 3,-2.4 -53,-0.1 4,-0.9 -0.494 24.2-104.0 -80.3 164.7 15.3 38.7 27.7 106 107 A E G >4 S+ 0 0 128 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.872 124.0 60.1 -58.1 -35.3 11.6 39.7 28.2 107 108 A K G 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.688 109.0 44.4 -67.3 -17.4 10.8 36.0 28.6 108 109 A Q G <> S+ 0 0 35 -3,-2.4 4,-2.6 2,-0.1 5,-0.3 0.504 82.9 101.1-104.5 -8.8 13.2 36.0 31.6 109 110 A Y H S+ 0 0 131 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.900 113.9 51.0 -64.2 -40.6 9.9 37.6 36.0 111 112 A T H > S+ 0 0 45 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 115.8 39.4 -60.7 -49.9 12.5 35.0 36.8 112 113 A V H X S+ 0 0 40 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.898 112.5 57.0 -74.4 -33.6 15.4 37.5 37.2 113 114 A E H X S+ 0 0 109 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.945 107.9 48.9 -57.5 -48.5 13.0 40.0 39.0 114 115 A T H X S+ 0 0 41 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.884 107.4 54.7 -57.1 -43.4 12.3 37.2 41.6 115 116 A Q H X S+ 0 0 22 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.898 111.2 44.3 -58.4 -45.3 16.0 36.4 42.1 116 117 A L H X S+ 0 0 43 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.910 113.2 50.1 -68.5 -42.8 16.7 40.0 42.9 117 118 A R H X S+ 0 0 111 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.968 107.9 55.6 -60.7 -44.8 13.7 40.4 45.2 118 119 A F H X S+ 0 0 29 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.858 106.1 49.8 -53.6 -42.8 14.7 37.1 47.0 119 120 A M H ><>S+ 0 0 1 -4,-1.6 5,-1.9 2,-0.2 3,-0.9 0.932 111.4 48.5 -68.4 -38.2 18.2 38.5 47.8 120 121 A T H ><5S+ 0 0 55 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.892 108.2 55.2 -69.0 -32.3 16.6 41.8 49.2 121 122 A E H 3<5S+ 0 0 136 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.737 104.4 56.2 -68.1 -15.9 14.2 39.7 51.3 122 123 A N T <<5S- 0 0 54 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.303 131.3 -89.4 -98.1 8.0 17.3 38.0 52.7 123 124 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.221 85.6 127.3 107.1 -14.8 18.9 41.2 53.9 124 125 A F < - 0 0 15 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.1 -0.489 60.2-124.9 -72.0 146.3 20.9 42.3 50.9 125 126 A S > - 0 0 60 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.475 37.0-103.8 -71.0 168.6 20.4 45.8 49.6 126 127 A L H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.955 122.7 48.4 -63.7 -46.7 19.5 45.6 45.8 127 128 A R H > S+ 0 0 154 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 114.8 44.5 -60.1 -42.6 23.0 46.7 44.8 128 129 A D H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 113.5 49.5 -72.5 -38.3 24.7 44.1 47.1 129 130 A G H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.882 113.1 49.1 -61.5 -39.6 22.3 41.3 46.1 130 131 A L H X S+ 0 0 69 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.916 109.5 50.6 -67.2 -47.5 23.1 42.3 42.4 131 132 A Y H X S+ 0 0 120 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.873 112.1 47.9 -62.2 -37.6 26.8 42.2 43.0 132 133 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.957 113.9 45.3 -63.2 -54.0 26.6 38.8 44.6 133 134 A I H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 116.2 47.9 -55.7 -44.4 24.4 37.3 41.8 134 135 A S H X S+ 0 0 34 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.905 108.6 52.4 -66.6 -42.3 26.7 39.0 39.2 135 136 A A H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.920 111.4 47.8 -63.5 -39.9 29.9 37.6 40.9 136 137 A V H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.934 114.3 47.2 -63.9 -44.8 28.4 34.1 40.8 137 138 A S H X S+ 0 0 34 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.938 114.5 45.5 -60.1 -44.9 27.4 34.6 37.1 138 139 A H H X S+ 0 0 127 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.911 112.9 49.3 -68.5 -43.8 30.9 36.0 36.1 139 140 A F H X S+ 0 0 67 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.909 115.1 45.2 -60.7 -44.4 32.8 33.3 37.9 140 141 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.957 114.2 46.8 -65.8 -51.0 30.6 30.6 36.3 141 142 A L H X S+ 0 0 20 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.941 114.7 50.5 -51.6 -49.5 30.8 32.0 32.8 142 143 A G H X S+ 0 0 32 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.875 111.8 45.3 -57.4 -46.9 34.6 32.4 33.3 143 144 A A H X S+ 0 0 32 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.930 116.7 43.7 -67.9 -45.2 35.2 28.9 34.4 144 145 A V H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.939 113.9 52.2 -67.6 -41.7 33.0 27.3 31.6 145 146 A L H X S+ 0 0 36 -4,-3.1 4,-2.7 -5,-0.2 5,-0.4 0.903 109.3 48.5 -60.9 -43.6 34.5 29.6 28.9 146 147 A E H X S+ 0 0 145 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.934 116.1 45.7 -63.8 -38.3 38.1 28.7 29.9 147 148 A Q H X S+ 0 0 51 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.978 117.2 40.3 -66.7 -56.8 37.1 25.1 29.8 148 149 A Q H X S+ 0 0 21 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.910 118.9 46.6 -62.2 -39.3 35.2 25.1 26.5 149 150 A E H X S+ 0 0 66 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.847 105.8 60.6 -77.2 -24.5 37.7 27.4 24.8 150 151 A H H < S+ 0 0 104 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.943 112.4 36.1 -68.3 -48.0 40.6 25.4 26.0 151 152 A T H < S+ 0 0 93 -4,-1.8 3,-0.2 -5,-0.1 -2,-0.2 0.811 116.7 54.1 -76.7 -28.6 39.4 22.3 24.2 152 153 A A H < S+ 0 0 49 -4,-2.2 2,-1.4 1,-0.2 -2,-0.2 0.999 105.8 52.3 -60.5 -67.9 38.0 24.1 21.2 153 154 A A < 0 0 70 -4,-1.9 -1,-0.2 -5,-0.1 -4,-0.0 -0.591 360.0 360.0 -88.3 94.7 41.2 26.0 20.3 154 155 A L 0 0 165 -2,-1.4 -3,-0.0 -3,-0.2 -4,-0.0 -0.978 360.0 360.0-131.8 360.0 43.9 23.4 20.2 155 ! 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 0.0 156 165 A N 0 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.5 60.7 22.0 30.2 157 166 A L - 0 0 75 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.525 360.0-120.7 -71.6 136.3 57.8 22.5 32.8 158 167 A P > - 0 0 72 0, 0.0 4,-2.7 0, 0.0 5,-0.3 -0.395 33.0-102.7 -69.6 155.1 58.8 23.6 36.3 159 168 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.840 115.7 41.5 -56.7 -45.2 57.6 21.1 39.0 160 169 A L H > S+ 0 0 141 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.921 116.1 49.3 -76.8 -34.1 54.6 22.9 40.5 161 170 A L H > S+ 0 0 82 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.969 110.5 51.9 -64.7 -42.7 53.2 24.0 37.1 162 171 A R H X S+ 0 0 125 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.960 115.8 41.6 -53.3 -49.1 53.6 20.4 35.8 163 172 A E H X S+ 0 0 101 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.916 112.4 53.2 -68.4 -40.3 51.7 19.2 38.8 164 173 A A H X S+ 0 0 41 -4,-3.2 4,-3.3 2,-0.2 -2,-0.2 0.946 110.2 50.5 -56.9 -43.3 49.1 22.2 38.5 165 174 A L H X S+ 0 0 65 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.921 108.8 49.5 -66.6 -48.2 48.6 21.2 34.9 166 175 A Q H < S+ 0 0 117 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.922 114.9 46.5 -55.6 -40.4 48.0 17.5 35.8 167 176 A I H >< S+ 0 0 107 -4,-2.5 3,-1.9 2,-0.2 4,-0.2 0.979 111.9 49.2 -68.6 -51.3 45.5 18.6 38.5 168 177 A M H >< S+ 0 0 101 -4,-3.3 3,-0.9 1,-0.3 -1,-0.2 0.889 114.0 45.6 -44.0 -57.2 43.6 21.1 36.2 169 178 A D T 3< S+ 0 0 111 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.354 87.4 92.9 -73.5 -3.2 43.2 18.6 33.5 170 179 A S T < S- 0 0 93 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.2 0.630 99.5 -0.8 -73.7 -12.5 42.1 15.8 35.8 171 180 A D S < S- 0 0 65 -3,-0.9 0, 0.0 -4,-0.2 0, 0.0 -0.896 96.5 -72.8-151.5-167.1 38.4 16.5 35.4 172 181 A D S S- 0 0 73 -2,-0.3 -3,-0.1 1,-0.1 -4,-0.0 0.593 78.0 -90.7 -70.2 -0.8 36.1 18.9 33.6 173 182 A G S > S+ 0 0 23 -5,-0.1 4,-2.5 -26,-0.0 5,-0.2 0.338 95.0 126.3 97.6 2.7 37.0 21.8 35.9 174 183 A E H > + 0 0 65 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.877 69.1 46.2 -67.0 -39.3 34.1 20.8 38.1 175 184 A Q H > S+ 0 0 141 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.938 113.1 48.1 -71.2 -41.8 36.1 20.5 41.4 176 185 A A H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.952 115.8 48.0 -60.5 -44.7 38.0 23.8 41.0 177 186 A F H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.903 112.6 46.5 -58.2 -54.2 34.5 25.4 40.2 178 187 A L H X S+ 0 0 57 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.913 113.9 47.4 -62.3 -37.3 32.8 23.9 43.2 179 188 A H H X S+ 0 0 136 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.919 113.1 48.3 -71.4 -43.4 35.5 24.8 45.6 180 189 A G H X S+ 0 0 24 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.875 107.4 58.0 -63.9 -34.8 35.7 28.4 44.3 181 190 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.914 104.9 49.6 -62.4 -38.7 31.9 28.6 44.5 182 191 A E H X S+ 0 0 81 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.948 109.5 51.1 -69.7 -40.7 32.0 27.8 48.2 183 192 A S H X S+ 0 0 72 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.936 110.7 49.2 -59.3 -47.2 34.6 30.5 48.8 184 193 A L H X S+ 0 0 45 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.941 113.1 46.1 -53.8 -54.4 32.4 33.1 46.9 185 194 A I H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.927 112.8 49.9 -60.6 -43.1 29.3 32.3 48.9 186 195 A R H X S+ 0 0 154 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.932 108.9 53.1 -62.0 -41.6 31.2 32.3 52.3 187 196 A G H X S+ 0 0 42 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.886 109.9 47.9 -61.6 -38.3 32.7 35.7 51.4 188 197 A F H X S+ 0 0 35 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.859 108.9 53.3 -68.8 -35.6 29.3 37.2 50.7 189 198 A E H X S+ 0 0 54 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.977 108.2 50.4 -65.7 -46.4 27.9 35.7 54.0 190 199 A V H X S+ 0 0 68 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.922 113.9 45.4 -51.7 -48.6 30.8 37.4 56.0 191 200 A Q H X S+ 0 0 101 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.3 0.894 112.5 50.7 -64.0 -39.7 29.9 40.7 54.3 192 201 A L H >< S+ 0 0 38 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.984 114.5 42.8 -63.7 -50.4 26.1 40.3 54.8 193 202 A T H 3< S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.766 100.9 69.2 -71.0 -27.0 26.4 39.6 58.5 194 203 A A H >< S+ 0 0 15 -4,-1.8 3,-2.4 -5,-0.3 -1,-0.3 0.814 71.6 171.7 -62.6 -27.6 29.0 42.2 59.2 195 204 A L T << S- 0 0 146 -3,-1.1 -1,-0.2 -4,-0.7 4,-0.1 -0.351 71.6 -16.5 53.8-114.2 26.4 45.0 58.5 196 205 A L T 3 S+ 0 0 162 -2,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.398 110.1 107.3-103.2 1.8 28.1 48.2 59.5 197 206 A Q S < S- 0 0 158 -3,-2.4 2,-0.6 1,-0.1 -3,-0.0 -0.390 83.5 -98.3 -73.8 160.6 31.0 46.8 61.6 198 207 A I 0 0 175 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.740 360.0 360.0 -82.7 119.9 34.5 46.9 60.2 199 208 A V 0 0 128 -2,-0.6 -1,-0.2 -4,-0.1 -8,-0.0 0.577 360.0 360.0-119.9 360.0 35.1 43.4 58.7