==== 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 29-JUN-98 1BJZ . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.ORTH,W.SAENGER,W.HINRICHS . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 76.3 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 62.9 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 1 1 0 1 0 0 0 0 0 2 1 0 2 0 0 0 0 1 0 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 0 119 0, 0.0 6,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-119.5 6.2 21.6 10.8 2 3 A R + 0 0 150 1,-0.2 2,-0.7 5,-0.1 0, 0.0 0.868 360.0 44.0 -75.9 -39.4 9.7 22.1 9.2 3 4 A L S S+ 0 0 27 4,-0.1 2,-0.3 5,-0.0 -1,-0.2 -0.759 83.4 99.0-116.8 95.9 9.9 25.9 9.3 4 5 A N S > S- 0 0 43 -2,-0.7 4,-2.5 -3,-0.2 5,-0.3 -0.949 86.2 -87.5-161.6 157.0 8.8 27.4 12.6 5 6 A R H > S+ 0 0 189 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.857 121.2 59.0 -37.1 -55.0 10.6 28.6 15.8 6 7 A E H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 114.5 30.5 -40.1 -70.9 10.6 25.1 17.3 7 8 A S H > S+ 0 0 27 -6,-0.3 4,-3.3 -3,-0.3 5,-0.4 0.893 115.0 60.6 -63.2 -42.4 12.5 23.3 14.6 8 9 A V H X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.917 112.7 39.2 -53.9 -42.4 14.6 26.3 13.6 9 10 A I H X S+ 0 0 11 -4,-2.8 4,-3.0 -5,-0.3 5,-0.3 0.917 114.1 52.1 -74.7 -43.9 16.0 26.4 17.1 10 11 A D H X S+ 0 0 71 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.959 114.4 44.4 -54.6 -51.5 16.3 22.6 17.6 11 12 A A H X S+ 0 0 10 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.869 113.1 52.7 -61.1 -37.5 18.2 22.4 14.3 12 13 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.4 -2,-0.2 0.917 109.8 45.7 -67.1 -45.4 20.3 25.5 15.4 13 14 A L H X S+ 0 0 3 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.935 115.6 48.7 -62.7 -43.1 21.3 24.1 18.8 14 15 A E H X S+ 0 0 112 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.906 113.1 46.1 -62.7 -43.2 22.2 20.8 17.0 15 16 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.903 106.5 61.3 -66.8 -38.7 24.1 22.6 14.3 16 17 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.921 103.4 49.0 -53.8 -46.4 25.8 24.6 17.1 17 18 A N H < S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.864 112.1 50.3 -63.9 -33.3 27.2 21.4 18.6 18 19 A E H < S+ 0 0 109 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.867 130.7 9.9 -73.3 -39.9 28.5 20.4 15.1 19 20 A T H X S- 0 0 42 -4,-2.4 4,-1.3 1,-0.2 3,-0.2 0.337 96.7-125.3-126.6 8.1 30.3 23.6 14.1 20 21 A G H X - 0 0 1 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.060 46.0 -60.6 72.0 174.9 30.6 25.9 17.1 21 22 A I H 4 S+ 0 0 22 1,-0.2 -1,-0.2 2,-0.2 30,-0.1 0.755 135.2 47.1 -68.1 -25.3 29.4 29.5 17.4 22 23 A D H 4 S+ 0 0 136 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.7 49.5 -83.7 -41.5 31.8 30.7 14.7 23 24 A G H < S+ 0 0 34 -4,-1.3 2,-0.7 -7,-0.1 -3,-0.2 0.595 87.0 108.0 -71.7 -10.7 31.0 28.0 12.1 24 25 A L < + 0 0 0 -4,-0.8 2,-0.3 -5,-0.2 -8,-0.0 -0.596 45.0 163.9 -74.1 109.1 27.3 28.7 12.6 25 26 A T > - 0 0 60 -2,-0.7 4,-2.0 1,-0.1 5,-0.1 -0.910 49.8-126.1-123.9 152.3 26.0 30.5 9.5 26 27 A T H > S+ 0 0 46 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.844 112.7 62.8 -65.2 -26.8 22.4 31.1 8.3 27 28 A R H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.956 106.9 38.0 -61.2 -57.1 23.7 29.5 5.1 28 29 A K H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.821 113.7 58.0 -67.7 -28.1 24.6 26.1 6.7 29 30 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.946 105.7 49.9 -64.8 -43.9 21.4 26.3 8.9 30 31 A A H X>S+ 0 0 1 -4,-2.7 5,-1.9 1,-0.2 4,-1.7 0.950 112.1 48.2 -56.2 -50.1 19.4 26.6 5.7 31 32 A Q H <5S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 109.2 51.8 -59.9 -41.1 21.2 23.5 4.2 32 33 A K H <5S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.923 113.2 45.6 -62.8 -42.5 20.7 21.5 7.4 33 34 A L H <5S- 0 0 20 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.742 113.3-123.5 -72.0 -24.0 17.0 22.3 7.3 34 35 A G T <5 + 0 0 63 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.838 68.3 112.7 83.5 37.8 16.9 21.5 3.6 35 36 A I S > - 0 0 141 -2,-0.3 4,-1.9 1,-0.1 3,-0.9 -0.500 40.4-115.3 -75.8 148.1 16.6 27.8 0.2 37 38 A Q H 3> S+ 0 0 84 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.870 114.7 53.3 -52.9 -43.0 18.2 30.7 2.0 38 39 A P H 3> S+ 0 0 92 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.815 105.4 54.8 -65.1 -28.9 15.4 33.2 1.3 39 40 A T H <> S+ 0 0 64 -3,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.939 112.7 43.4 -66.4 -43.9 12.8 30.7 2.8 40 41 A L H >X S+ 0 0 3 -4,-1.9 3,-2.3 1,-0.2 4,-2.2 0.974 106.5 60.7 -63.0 -53.9 15.0 30.7 5.9 41 42 A Y H 3< S+ 0 0 140 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.784 96.7 61.5 -42.2 -39.8 15.5 34.5 5.9 42 43 A W H 3< S+ 0 0 186 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.887 115.7 32.2 -57.7 -39.9 11.7 34.9 6.2 43 44 A H H << S+ 0 0 72 -3,-2.3 2,-0.4 -4,-0.8 -2,-0.2 0.738 132.7 27.8 -88.2 -32.0 11.9 33.1 9.6 44 45 A V < - 0 0 17 -4,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.927 64.0-163.7-137.0 109.5 15.3 34.2 10.8 45 46 A K - 0 0 98 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.795 66.3 -30.9 -63.7 -33.1 16.6 37.5 9.6 46 47 A N > - 0 0 75 1,-0.1 4,-2.0 -21,-0.0 -1,-0.1 -0.985 68.1 -78.5-171.7 179.4 20.2 36.9 10.5 47 48 A K H > S+ 0 0 64 -2,-0.3 4,-3.3 2,-0.2 5,-0.2 0.888 121.1 56.7 -61.5 -42.7 22.8 35.3 12.8 48 49 A R H > S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.946 108.6 47.0 -54.6 -49.3 22.4 37.8 15.6 49 50 A A H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 113.5 50.3 -58.6 -42.6 18.6 37.0 15.7 50 51 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.949 110.8 46.2 -61.6 -53.0 19.5 33.3 15.7 51 52 A L H X S+ 0 0 14 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.928 109.5 56.3 -57.7 -44.4 22.1 33.6 18.5 52 53 A D H X S+ 0 0 53 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.896 109.8 45.2 -53.9 -44.8 19.6 35.7 20.6 53 54 A A H X S+ 0 0 16 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.835 112.1 52.0 -70.1 -33.9 17.0 33.0 20.3 54 55 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.914 106.2 54.2 -70.3 -40.6 19.5 30.3 21.2 55 56 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.962 113.2 40.1 -57.9 -56.6 20.8 32.0 24.3 56 57 A V H X S+ 0 0 23 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.894 117.2 51.0 -62.1 -36.7 17.4 32.4 25.9 57 58 A E H X S+ 0 0 46 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.896 106.4 54.0 -68.0 -39.9 16.4 28.9 24.7 58 59 A I H X S+ 0 0 1 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.926 116.8 38.9 -59.1 -44.6 19.6 27.4 26.2 59 60 A L H X S+ 0 0 23 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.931 117.1 46.0 -72.0 -53.1 18.7 29.0 29.6 60 61 A A H < S+ 0 0 62 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.958 117.6 46.1 -55.7 -47.3 15.0 28.4 29.6 61 62 A R H < S+ 0 0 90 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.723 132.9 13.2 -69.4 -26.1 15.5 24.8 28.5 62 63 A H H < S+ 0 0 49 -4,-1.1 2,-1.2 -5,-0.2 3,-0.2 0.571 100.1 84.9-131.5 -11.5 18.3 24.0 30.9 63 64 A H >< + 0 0 20 -4,-3.4 3,-0.6 1,-0.2 22,-0.1 -0.401 49.4 160.8 -91.8 59.9 18.7 26.6 33.7 64 65 A D T 3 + 0 0 138 -2,-1.2 3,-0.3 1,-0.3 2,-0.3 0.669 66.6 58.0 -54.6 -22.3 15.9 24.8 35.7 65 66 A Y T 3 + 0 0 55 -3,-0.2 -1,-0.3 1,-0.2 19,-0.2 -0.390 65.6 124.7-108.3 54.4 17.2 26.6 38.9 66 67 A S S < S+ 0 0 39 -3,-0.6 -1,-0.2 -2,-0.3 49,-0.1 0.841 71.8 37.0 -78.1 -36.5 16.8 30.2 37.7 67 68 A L S S- 0 0 71 -3,-0.3 -1,-0.1 1,-0.1 45,-0.0 -0.896 89.8-103.7-121.0 148.8 14.5 31.3 40.6 68 69 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.107 25.9-117.6 -66.0 164.0 14.5 30.4 44.4 69 70 A A > - 0 0 50 4,-0.1 3,-1.0 -4,-0.1 8,-0.1 -0.858 39.9 -97.9-103.4 134.3 12.3 28.1 46.3 70 71 A A T 3 S+ 0 0 113 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.280 111.3 24.4 -51.9 129.6 10.1 29.5 49.1 71 72 A G T 3 S+ 0 0 89 1,-0.3 2,-0.4 -3,-0.0 -1,-0.2 0.756 92.1 130.0 85.3 29.1 12.0 28.8 52.4 72 73 A E < - 0 0 34 -3,-1.0 -1,-0.3 3,-0.0 2,-0.1 -0.886 58.6-114.1-118.1 144.6 15.5 28.5 51.0 73 74 A S > - 0 0 48 -2,-0.4 4,-2.6 1,-0.1 -4,-0.1 -0.453 22.9-122.1 -73.9 151.7 18.6 30.3 52.3 74 75 A W H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.802 113.8 56.0 -63.5 -28.5 20.3 32.8 50.0 75 76 A Q H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.967 108.8 45.2 -66.5 -52.9 23.5 30.7 50.2 76 77 A S H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.907 114.5 51.5 -57.8 -40.0 21.7 27.6 49.0 77 78 A F H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.983 111.0 43.8 -62.3 -59.4 20.1 29.7 46.3 78 79 A L H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.875 116.8 49.2 -53.2 -39.6 23.2 31.3 44.9 79 80 A R H X S+ 0 0 62 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.982 116.5 39.3 -63.9 -58.2 25.0 27.9 45.1 80 81 A N H X S+ 0 0 49 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.854 116.0 53.4 -60.1 -38.2 22.2 26.0 43.3 81 82 A N H X S+ 0 0 12 -4,-3.4 4,-1.8 -5,-0.3 -1,-0.2 0.888 109.7 47.6 -65.1 -40.0 21.6 28.9 40.9 82 83 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.894 111.7 49.9 -69.6 -40.1 25.3 28.9 40.0 83 84 A M H X S+ 0 0 34 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.931 111.3 48.4 -64.9 -44.5 25.5 25.2 39.4 84 85 A S H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.856 111.5 50.6 -63.7 -37.7 22.4 25.2 37.2 85 86 A F H X S+ 0 0 12 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.930 112.8 46.4 -65.4 -45.3 23.8 28.2 35.2 86 87 A R H X S+ 0 0 8 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 114.1 46.3 -63.0 -50.7 27.1 26.3 34.7 87 88 A R H X S+ 0 0 114 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.903 113.3 51.1 -59.6 -41.1 25.4 23.0 33.7 88 89 A A H >< S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 4,-0.5 0.944 111.4 46.6 -61.8 -47.8 23.1 25.0 31.3 89 90 A L H >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 7,-0.4 0.810 111.5 52.9 -65.6 -29.0 26.1 26.7 29.7 90 91 A L H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.600 87.7 80.6 -83.1 -12.8 27.9 23.4 29.4 91 92 A R T << S+ 0 0 123 -4,-0.9 2,-0.4 -3,-0.9 -1,-0.2 0.805 96.6 43.3 -63.6 -31.0 25.1 21.6 27.6 92 93 A Y S X S- 0 0 28 -3,-0.5 3,-2.6 -4,-0.5 4,-0.3 -0.931 95.2-100.1-123.7 143.6 26.0 23.2 24.3 93 94 A R T 3 S+ 0 0 123 -2,-0.4 -74,-0.1 1,-0.3 -75,-0.1 -0.356 111.9 3.3 -56.3 128.8 29.3 23.8 22.5 94 95 A D T 3> S+ 0 0 23 54,-0.1 4,-2.5 -74,-0.1 3,-0.3 0.602 86.8 147.2 65.6 16.2 30.3 27.4 23.0 95 96 A G H <> + 0 0 1 -3,-2.6 4,-2.3 -6,-0.3 5,-0.2 0.876 69.5 51.0 -48.3 -44.5 27.2 27.9 25.2 96 97 A A H > S+ 0 0 0 -7,-0.4 4,-3.0 -4,-0.3 -1,-0.3 0.917 110.5 48.5 -61.9 -44.3 29.0 30.4 27.4 97 98 A K H > S+ 0 0 64 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.857 108.7 53.7 -65.7 -34.6 30.1 32.4 24.4 98 99 A V H < S+ 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.938 113.4 43.7 -64.9 -41.9 26.5 32.3 23.0 99 100 A H H >< S+ 0 0 37 -4,-2.3 3,-2.3 -5,-0.2 -2,-0.2 0.957 109.2 56.0 -64.3 -54.7 25.3 33.8 26.4 100 101 A L H 3< S+ 0 0 104 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 105.8 52.5 -46.5 -43.9 28.1 36.3 26.6 101 102 A G T 3< S+ 0 0 44 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.3 0.411 92.9 90.0 -79.8 2.5 27.2 37.8 23.3 102 103 A T S < S- 0 0 17 -3,-2.3 3,-0.1 -4,-0.2 -54,-0.0 -0.849 73.9-128.7-108.3 136.7 23.5 38.4 24.0 103 104 A R - 0 0 218 -2,-0.4 -2,-0.1 1,-0.1 -3,-0.0 -0.659 50.9 -88.5 -77.2 126.9 21.9 41.4 25.5 104 105 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.072 41.9-136.7 -43.0 123.5 19.7 40.3 28.4 105 106 A D >> - 0 0 72 1,-0.1 4,-1.5 -53,-0.1 3,-1.2 -0.510 25.8-107.3 -79.2 157.4 16.1 39.4 27.3 106 107 A E H 3> S+ 0 0 137 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.717 120.1 66.6 -61.2 -20.1 13.2 40.5 29.5 107 108 A K H 3> S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.933 104.1 45.9 -63.2 -42.8 12.8 36.9 30.6 108 109 A Q H <> S+ 0 0 43 -3,-1.2 4,-3.3 1,-0.2 -2,-0.2 0.868 107.4 60.3 -65.4 -38.4 16.1 37.5 32.3 109 110 A Y H X S+ 0 0 120 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.934 106.4 42.1 -57.2 -53.3 14.9 40.9 33.6 110 111 A D H X S+ 0 0 108 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.856 115.5 54.9 -63.9 -29.8 12.0 39.5 35.7 111 112 A T H X S+ 0 0 35 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.972 110.0 42.5 -65.8 -54.2 14.4 36.8 36.7 112 113 A V H X S+ 0 0 52 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.904 113.1 55.3 -59.5 -42.4 17.1 39.1 38.0 113 114 A E H X S+ 0 0 126 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.952 109.3 45.2 -54.5 -56.4 14.4 41.3 39.7 114 115 A T H >X S+ 0 0 45 -4,-2.4 4,-2.6 1,-0.2 3,-0.6 0.965 114.1 48.3 -52.3 -58.4 13.0 38.4 41.6 115 116 A Q H 3X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.865 113.1 49.6 -50.2 -41.3 16.5 37.2 42.7 116 117 A L H 3X S+ 0 0 26 -4,-2.8 4,-2.0 2,-0.2 -1,-0.3 0.838 108.1 51.4 -69.7 -34.3 17.3 40.7 43.7 117 118 A R H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 3,-1.0 0.898 111.7 50.0 -60.6 -44.9 18.6 39.1 48.4 120 121 A T H ><5S+ 0 0 46 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.908 105.4 57.7 -62.8 -38.9 17.2 42.3 49.8 121 122 A E H 3<5S+ 0 0 139 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.715 101.3 59.1 -64.6 -17.7 14.7 40.3 51.8 122 123 A N T <<5S- 0 0 58 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.129 132.6 -88.9 -97.4 20.9 17.7 38.6 53.3 123 124 A G T < 5S+ 0 0 60 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.639 85.1 139.9 84.3 13.7 19.1 41.8 54.7 124 125 A F < - 0 0 12 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.804 51.2-129.2 -95.7 129.0 21.1 42.6 51.5 125 126 A S > - 0 0 60 -2,-0.5 4,-2.9 1,-0.1 5,-0.3 -0.347 28.5-109.9 -66.8 156.3 21.3 46.1 50.2 126 127 A L H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.914 119.1 49.2 -54.2 -42.6 20.4 46.5 46.5 127 128 A R H > S+ 0 0 158 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.980 115.6 38.4 -60.7 -63.0 24.1 47.3 45.8 128 129 A D H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.866 115.5 54.2 -60.2 -36.8 25.6 44.3 47.7 129 130 A G H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.899 111.5 44.6 -64.8 -40.2 22.9 41.9 46.6 130 131 A L H X S+ 0 0 72 -4,-2.0 4,-3.0 -5,-0.3 -2,-0.2 0.906 111.3 54.1 -69.3 -41.7 23.5 42.8 42.9 131 132 A Y H X S+ 0 0 134 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.930 110.0 47.8 -56.6 -46.5 27.3 42.6 43.5 132 133 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.952 111.4 48.7 -59.4 -52.7 26.8 39.1 44.9 133 134 A I H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 116.4 44.9 -55.2 -41.7 24.6 38.1 42.0 134 135 A S H X S+ 0 0 40 -4,-3.0 4,-3.7 2,-0.2 5,-0.3 0.901 109.2 52.9 -71.0 -44.4 27.1 39.5 39.6 135 136 A A H X S+ 0 0 31 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.942 112.0 48.0 -58.4 -42.9 30.2 38.0 41.3 136 137 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.925 115.4 43.6 -64.3 -45.1 28.6 34.6 41.1 137 138 A S H X S+ 0 0 43 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.945 114.6 50.1 -65.8 -44.9 27.6 35.0 37.4 138 139 A H H X S+ 0 0 137 -4,-3.7 4,-2.3 1,-0.2 -2,-0.2 0.920 114.6 43.4 -58.7 -46.5 31.0 36.5 36.5 139 140 A F H X S+ 0 0 71 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.890 115.1 48.7 -67.3 -41.4 32.9 33.7 38.2 140 141 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.934 113.0 48.1 -65.6 -41.9 30.6 31.0 36.8 141 142 A L H X S+ 0 0 26 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.892 111.4 49.9 -65.1 -42.6 30.9 32.4 33.3 142 143 A G H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.912 111.2 49.1 -63.0 -43.0 34.7 32.6 33.6 143 144 A A H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 113.1 45.7 -61.8 -50.4 35.0 29.0 34.8 144 145 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.909 112.6 51.4 -61.6 -43.4 32.8 27.6 32.0 145 146 A L H X S+ 0 0 40 -4,-2.5 4,-1.7 2,-0.2 5,-0.3 0.965 111.1 46.8 -59.0 -51.0 34.6 29.7 29.4 146 147 A E H X S+ 0 0 130 -4,-2.6 4,-1.1 1,-0.2 3,-0.3 0.910 115.3 48.0 -55.0 -43.6 38.0 28.5 30.6 147 148 A Q H < S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 111.2 49.9 -66.1 -37.7 36.6 25.0 30.6 148 149 A Q H < S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.679 110.4 48.6 -77.7 -20.3 35.0 25.3 27.1 149 150 A E H < 0 0 115 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.655 360.0 360.0 -89.9 -22.3 38.2 26.6 25.4 150 151 A H < 0 0 184 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.312 360.0 360.0-113.5 360.0 40.2 23.8 27.0 151 ! 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 0.0 152 165 A N 0 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.5 59.9 21.0 30.8 153 166 A L - 0 0 92 0, 0.0 5,-0.1 0, 0.0 3,-0.0 -0.945 360.0-111.3-153.2 125.3 57.2 21.2 33.5 154 167 A P > - 0 0 76 0, 0.0 4,-1.5 0, 0.0 0, 0.0 -0.423 30.0-127.4 -58.8 131.8 57.3 23.1 36.8 155 168 A P H >> S+ 0 0 105 0, 0.0 3,-1.1 0, 0.0 4,-0.9 0.912 104.8 42.3 -43.9 -67.0 57.5 20.7 39.8 156 169 A L H >> S+ 0 0 154 1,-0.3 4,-2.5 2,-0.2 3,-0.8 0.868 112.6 56.2 -52.7 -41.8 54.6 22.0 42.0 157 170 A L H 3> S+ 0 0 81 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.802 93.5 67.5 -64.1 -28.4 52.5 22.4 38.8 158 171 A R H X S+ 0 0 50 -4,-2.5 3,-1.9 1,-0.2 4,-1.2 0.947 112.9 51.7 -52.3 -53.5 48.5 20.9 40.8 161 174 A L H >X S+ 0 0 55 -4,-3.3 4,-3.0 1,-0.3 3,-1.0 0.902 102.9 60.4 -52.0 -43.6 48.0 20.2 37.1 162 175 A Q H 3< S+ 0 0 112 -4,-1.1 4,-0.5 -5,-0.4 -1,-0.3 0.688 101.1 53.3 -61.8 -17.5 47.3 16.5 37.9 163 176 A I H S+ 0 0 28 -5,-0.1 4,-1.7 4,-0.0 5,-0.1 0.415 99.5 113.4 94.2 -0.9 36.7 21.3 36.7 170 183 A E H > S+ 0 0 57 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.954 76.0 51.4 -68.1 -49.3 33.6 20.9 38.9 171 184 A Q H > S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.945 110.5 47.1 -51.4 -56.9 35.5 20.5 42.2 172 185 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 115.1 47.8 -54.4 -40.6 37.5 23.7 41.6 173 186 A F H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.960 112.9 46.8 -65.8 -52.0 34.3 25.6 40.7 174 187 A L H X S+ 0 0 55 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.878 113.2 49.4 -57.8 -41.0 32.4 24.3 43.7 175 188 A H H X S+ 0 0 142 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.956 113.7 45.3 -64.1 -49.3 35.2 25.1 46.0 176 189 A G H X S+ 0 0 22 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.877 109.9 56.8 -61.2 -36.5 35.5 28.6 44.6 177 190 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.948 106.9 48.1 -59.8 -48.5 31.8 28.9 44.7 178 191 A E H X S+ 0 0 85 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.868 110.9 50.2 -60.9 -39.9 31.8 28.2 48.5 179 192 A S H X S+ 0 0 71 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.878 111.2 50.2 -67.4 -34.7 34.6 30.7 49.1 180 193 A L H >X S+ 0 0 44 -4,-2.2 4,-1.3 2,-0.2 3,-0.6 0.979 111.9 46.2 -66.3 -54.4 32.6 33.3 47.1 181 194 A I H >X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 3,-0.7 0.906 110.8 52.7 -54.4 -46.9 29.4 32.7 49.1 182 195 A R H 3X S+ 0 0 160 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.823 102.7 59.4 -60.7 -31.9 31.2 32.8 52.5 183 196 A G H < S+ 0 0 39 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.959 116.4 46.3 -61.5 -53.0 26.1 40.6 55.5 189 202 A T T 3< S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.618 103.2 72.3 -64.6 -15.2 26.8 39.7 59.1 190 203 A A T >4 + 0 0 5 -5,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.895 63.6 159.4 -71.7 -43.0 29.3 42.6 59.1 191 204 A L T << S- 0 0 141 -4,-1.0 -1,-0.2 -3,-0.8 4,-0.1 -0.350 75.2 -8.6 57.2-122.2 26.8 45.5 59.0 192 205 A L T 3 S+ 0 0 171 -2,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.048 109.4 115.5-100.8 35.4 28.6 48.7 60.3 193 206 A Q S < S- 0 0 136 -3,-1.1 2,-1.3 1,-0.0 -3,-0.1 -0.649 77.6-113.7-107.4 160.9 31.7 47.0 61.4 194 207 A I 0 0 176 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.802 360.0 360.0 -87.7 92.0 35.3 47.1 60.4 195 208 A V 0 0 105 -2,-1.3 -1,-0.2 -4,-0.1 -3,-0.0 0.702 360.0 360.0 -93.6 360.0 35.2 43.5 59.1