==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTIONAL REGULATION 09-MAR-01 1H9G . COMPND 2 MOLECULE: FATTY ACID METABOLISM REGULATOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.M.F.VAN AALTEN,C.C.DIRUSSO,J.KNUDSEN . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 79.4 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 . 5 2.2 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 0 1 0 2 1 0 1 0 1 1 0 0 0 2 1 0 0 0 0 0 0 1 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 . 1 1 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 1 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 5 A A 0 0 139 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.5 13.4 29.7 20.9 2 6 A Q - 0 0 98 4,-0.0 5,-0.0 1,-0.0 0, 0.0 -0.791 360.0-134.9 -92.5 125.2 15.4 28.2 23.8 3 7 A S > - 0 0 64 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.170 24.5-107.7 -69.2 166.3 14.8 24.5 24.4 4 8 A P H > S+ 0 0 87 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.914 122.7 52.5 -64.8 -37.5 14.2 23.1 27.9 5 9 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.950 110.1 49.0 -61.0 -46.6 17.7 21.6 27.8 6 10 A G H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 111.4 48.8 -58.9 -42.2 19.1 25.0 26.9 7 11 A F H X S+ 0 0 90 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.896 111.7 49.9 -64.1 -40.5 17.2 26.6 29.7 8 12 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.926 111.0 48.2 -64.0 -46.2 18.4 24.0 32.2 9 13 A E H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.923 113.9 46.6 -61.6 -46.9 22.0 24.3 31.2 10 14 A E H X S+ 0 0 66 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.877 110.6 53.2 -65.4 -38.0 21.9 28.1 31.5 11 15 A Y H X S+ 0 0 50 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.911 111.3 45.1 -65.7 -41.0 20.1 28.0 34.8 12 16 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.963 113.2 49.8 -68.4 -47.5 22.7 25.7 36.4 13 17 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.942 113.3 45.8 -55.4 -49.4 25.7 27.7 35.0 14 18 A E H X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.809 109.8 56.2 -64.8 -28.1 24.2 31.0 36.3 15 19 A S H <>S+ 0 0 2 -4,-1.5 6,-2.1 -5,-0.2 5,-1.8 0.835 107.0 48.3 -72.7 -31.6 23.4 29.4 39.6 16 20 A I H ><5S+ 0 0 5 -4,-2.0 3,-1.2 -3,-0.3 -2,-0.2 0.969 114.0 48.4 -69.7 -48.7 27.1 28.4 40.0 17 21 A W H 3<5S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.864 115.7 40.6 -57.3 -45.0 28.0 32.0 39.1 18 22 A N T 3<5S- 0 0 105 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.412 117.2-115.9 -85.6 2.4 25.6 33.7 41.5 19 23 A N T < 5S+ 0 0 93 -3,-1.2 -3,-0.2 2,-0.3 -4,-0.1 0.631 79.3 128.7 73.9 19.4 26.5 31.0 44.1 20 24 A R S - 0 0 44 0, 0.0 3,-2.2 0, 0.0 45,-0.3 -0.325 28.3 -97.0 -67.1 142.2 28.9 27.3 45.1 23 27 A P T 3 S+ 0 0 57 0, 0.0 45,-0.2 0, 0.0 46,-0.1 -0.275 113.4 32.8 -53.6 138.8 32.0 25.6 43.6 24 28 A G T 3 S+ 0 0 60 43,-3.8 2,-0.2 1,-0.4 44,-0.1 0.328 100.5 98.5 93.3 -10.6 33.1 22.8 45.9 25 29 A T S < S- 0 0 56 -3,-2.2 42,-2.9 42,-0.2 -1,-0.4 -0.572 76.8-107.9-101.7 170.4 29.5 22.0 47.0 26 30 A I B -A 66 0A 97 40,-0.2 40,-0.2 -2,-0.2 3,-0.1 -0.722 32.0-108.9 -99.5 155.4 27.4 19.2 45.6 27 31 A L - 0 0 8 38,-2.8 38,-0.3 -2,-0.3 3,-0.1 -0.480 42.3 -96.3 -76.3 144.8 24.4 19.8 43.4 28 32 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.264 60.0 -79.7 -57.2 158.9 21.0 19.1 44.9 29 33 A A > - 0 0 61 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.146 45.4-106.0 -57.3 156.3 19.8 15.6 44.0 30 34 A E H > S+ 0 0 58 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.832 115.1 53.2 -57.7 -40.9 18.3 15.1 40.6 31 35 A R H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 115.1 42.8 -59.5 -49.7 14.6 14.9 41.5 32 36 A E H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 116.2 47.9 -61.1 -46.6 14.8 18.2 43.4 33 37 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.891 112.3 48.3 -64.3 -42.9 16.9 19.8 40.7 34 38 A S H X>S+ 0 0 12 -4,-3.0 4,-2.4 -5,-0.2 5,-1.6 0.897 114.1 46.8 -67.5 -37.7 14.6 18.7 37.9 35 39 A E H <5S+ 0 0 134 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.864 112.6 51.0 -70.4 -34.0 11.5 19.9 39.8 36 40 A L H <5S+ 0 0 80 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.918 118.3 36.2 -68.0 -42.5 13.2 23.2 40.5 37 41 A I H <5S- 0 0 13 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.813 107.1-122.3 -82.5 -29.4 14.2 23.8 36.9 38 42 A G T <5 + 0 0 63 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.836 67.3 119.9 90.4 36.7 11.1 22.4 35.3 39 43 A V < - 0 0 14 -5,-1.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.922 64.9 -99.0-130.1 158.6 12.6 19.7 33.1 40 44 A T > - 0 0 85 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.197 35.2-109.7 -68.3 165.9 12.3 15.9 32.9 41 45 A R H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.836 121.0 52.6 -65.8 -33.2 14.8 13.6 34.5 42 46 A T H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 109.4 48.5 -68.7 -43.1 16.0 12.6 31.0 43 47 A T H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.936 112.3 49.4 -62.3 -45.5 16.5 16.2 30.0 44 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.893 108.0 52.8 -62.9 -39.9 18.4 16.8 33.3 45 49 A R H X S+ 0 0 110 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.931 111.0 47.5 -61.3 -44.1 20.7 13.8 32.8 46 50 A E H X S+ 0 0 117 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.858 113.0 48.5 -64.0 -38.0 21.6 15.0 29.3 47 51 A V H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.905 110.1 50.6 -71.7 -39.7 22.3 18.5 30.5 48 52 A L H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.886 108.6 54.1 -64.4 -36.4 24.4 17.3 33.5 49 53 A Q H X S+ 0 0 117 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.935 110.9 45.2 -61.5 -47.5 26.4 15.2 31.0 50 54 A R H X S+ 0 0 116 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.915 113.2 49.1 -63.8 -43.3 27.1 18.3 28.8 51 55 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 6,-0.9 0.860 112.0 49.4 -64.9 -35.8 28.0 20.5 31.8 52 56 A A H ><5S+ 0 0 21 -4,-2.3 3,-2.0 4,-0.2 -2,-0.2 0.929 107.8 54.6 -67.4 -45.2 30.4 17.8 33.1 53 57 A R H 3<5S+ 0 0 150 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.864 108.0 49.2 -55.8 -38.6 31.9 17.5 29.7 54 58 A D T 3<5S- 0 0 16 -4,-1.8 -1,-0.3 -5,-0.1 21,-0.3 0.342 120.8-109.8 -84.6 6.4 32.6 21.3 29.7 55 59 A G T < 5S+ 0 0 9 -3,-2.0 19,-0.2 2,-0.3 -3,-0.2 0.464 88.3 114.6 83.5 1.3 34.2 21.0 33.1 56 60 A W S - 0 0 125 3,-0.4 3,-2.4 -2,-0.4 -2,-0.0 -0.974 40.7 -99.4-143.9 125.9 30.7 9.8 38.9 61 65 A H T 3 S+ 0 0 193 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.161 106.7 5.7 -47.9 131.3 28.1 7.1 38.5 62 66 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.603 113.8 100.0 70.0 12.0 26.2 6.4 41.7 63 67 A K S < S- 0 0 120 -3,-2.4 -3,-0.4 1,-0.1 -1,-0.2 -0.885 83.3 -88.6-127.8 157.6 27.8 9.3 43.5 64 68 A P - 0 0 88 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.263 46.5-115.2 -60.1 152.7 26.7 12.9 44.2 65 69 A T - 0 0 18 -38,-0.3 -38,-2.8 -6,-0.1 2,-0.3 -0.820 30.2-145.0 -95.4 128.1 27.6 15.4 41.5 66 70 A K E -AB 26 58A 115 -8,-2.0 -8,-2.0 -2,-0.5 2,-0.6 -0.684 8.3-129.4 -95.2 146.8 30.1 18.1 42.5 67 71 A V E - B 0 57A 2 -42,-2.9 -43,-3.8 -2,-0.3 -10,-0.2 -0.824 32.7-152.2 -91.9 122.3 30.2 21.7 41.4 68 72 A N - 0 0 19 -12,-2.4 2,-0.9 -2,-0.6 -43,-0.1 -0.314 24.6-112.6 -90.7 173.9 33.7 22.5 40.2 69 73 A N >> - 0 0 62 1,-0.1 3,-2.2 -46,-0.1 4,-0.6 -0.947 33.4-154.2-100.8 101.5 35.7 25.7 40.0 70 74 A F H >> S+ 0 0 12 -2,-0.9 4,-2.7 1,-0.3 3,-0.9 0.769 85.2 75.3 -54.7 -27.0 35.7 25.9 36.2 71 75 A W H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 -16,-0.0 0.816 106.3 34.5 -56.0 -28.7 38.9 27.9 36.2 72 76 A E H <4 S+ 0 0 163 -3,-2.2 -1,-0.2 -17,-0.1 -2,-0.2 0.480 128.3 33.7-106.7 -1.4 40.7 24.6 37.1 73 77 A T H << S+ 0 0 66 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.2 0.674 97.8 84.0-120.7 -33.6 38.6 22.1 35.1 74 78 A S < - 0 0 24 -4,-2.7 -19,-0.1 -19,-0.2 2,-0.1 -0.273 60.0-144.9 -77.4 158.8 37.4 23.8 31.9 75 79 A G > - 0 0 45 -21,-0.3 3,-1.5 -2,-0.0 4,-0.2 -0.339 43.7 -74.0-106.1-168.6 39.2 24.3 28.6 76 80 A L G > S+ 0 0 79 1,-0.3 3,-2.1 2,-0.1 4,-0.3 0.782 117.1 75.9 -61.0 -29.8 39.3 27.1 26.1 77 81 A N G > S+ 0 0 95 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.641 81.5 69.2 -61.2 -11.6 35.8 26.3 24.7 78 82 A I G X> S+ 0 0 8 -3,-1.5 4,-2.9 1,-0.2 3,-0.6 0.678 77.7 82.1 -78.6 -16.1 34.2 27.9 27.8 79 83 A L H <> S+ 0 0 29 -3,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.908 91.4 49.2 -51.4 -44.8 35.3 31.3 26.6 80 84 A E H <> S+ 0 0 105 -3,-0.5 4,-3.0 -4,-0.3 -1,-0.3 0.777 110.5 51.7 -68.2 -25.7 32.3 31.4 24.3 81 85 A T H <> S+ 0 0 6 -3,-0.6 4,-2.8 -4,-0.4 -2,-0.2 0.936 108.2 48.7 -74.7 -47.5 30.0 30.4 27.2 82 86 A L H <>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 4,-0.3 0.923 117.0 46.1 -55.6 -41.5 31.4 33.1 29.5 83 87 A A H ><5S+ 0 0 34 -4,-2.2 3,-2.1 -5,-0.3 -2,-0.2 0.986 111.0 49.3 -63.6 -60.7 30.7 35.4 26.5 84 88 A R H 3<5S+ 0 0 132 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.872 118.2 40.1 -47.0 -46.7 27.3 34.1 25.6 85 89 A L T 3<5S- 0 0 30 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.352 110.7-120.1 -89.9 6.1 26.1 34.5 29.2 86 90 A D T < 5 - 0 0 135 -3,-2.1 -3,-0.2 -4,-0.3 -4,-0.1 0.867 36.3-167.6 62.6 42.3 27.8 37.8 29.9 87 91 A H > < - 0 0 34 -5,-2.6 3,-0.9 -6,-0.2 -1,-0.1 -0.122 30.8-118.1 -55.3 159.2 30.1 36.7 32.8 88 92 A E T 3 S+ 0 0 95 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.785 111.0 65.6 -70.7 -27.3 31.8 39.6 34.7 89 93 A S T 3> S+ 0 0 37 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.628 76.3 93.8 -69.5 -15.4 35.2 38.2 33.6 90 94 A V H <> S+ 0 0 41 -3,-0.9 4,-2.0 2,-0.2 5,-0.2 0.891 79.8 48.1 -47.8 -59.0 34.6 38.9 30.0 91 95 A P H > S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.939 118.8 39.1 -51.9 -54.1 36.2 42.4 29.5 92 96 A Q H > S+ 0 0 103 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.822 110.9 63.0 -66.8 -27.2 39.4 41.5 31.3 93 97 A L H X S+ 0 0 31 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.864 99.2 51.7 -65.8 -37.2 39.3 38.1 29.6 94 98 A I H X S+ 0 0 28 -4,-2.0 4,-2.4 -3,-0.4 -1,-0.2 0.910 110.1 49.5 -69.4 -36.6 39.6 39.5 26.1 95 99 A D H X S+ 0 0 40 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.932 112.4 48.1 -61.8 -44.8 42.6 41.6 27.2 96 100 A N H X S+ 0 0 72 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.896 112.3 50.5 -59.9 -41.5 44.1 38.3 28.7 97 101 A L H X S+ 0 0 43 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.866 110.6 46.9 -66.4 -38.0 43.2 36.6 25.4 98 102 A L H X S+ 0 0 49 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.845 110.9 52.7 -74.4 -31.8 44.9 39.2 23.3 99 103 A S H X S+ 0 0 62 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.945 111.4 47.1 -65.5 -47.0 48.0 39.2 25.5 100 104 A V H X S+ 0 0 73 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.937 110.1 53.3 -60.5 -44.7 48.1 35.4 25.1 101 105 A R H X S+ 0 0 31 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.935 111.3 46.0 -57.4 -44.6 47.7 35.8 21.3 102 106 A T H X S+ 0 0 16 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.963 116.1 44.1 -62.6 -51.2 50.6 38.2 21.2 103 107 A N H X S+ 0 0 54 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.893 116.8 40.9 -68.6 -40.7 52.9 36.2 23.3 104 108 A I H X S+ 0 0 39 -4,-3.0 4,-1.9 -5,-0.2 3,-0.3 0.811 109.9 59.7 -80.6 -21.1 52.4 32.7 21.9 105 109 A S H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.5 5,-0.4 0.840 94.3 64.6 -71.3 -25.8 52.3 34.1 18.4 106 110 A T H X S+ 0 0 14 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.914 107.1 46.5 -58.3 -35.1 55.9 35.4 18.9 107 111 A I H X S+ 0 0 76 -4,-0.8 4,-2.1 -3,-0.3 -2,-0.2 0.980 116.8 36.5 -69.8 -60.9 56.7 31.7 19.3 108 112 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.804 114.0 56.0 -70.3 -25.5 55.0 30.1 16.3 109 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.964 109.8 45.9 -68.8 -48.4 55.6 33.0 13.9 110 114 A R H X S+ 0 0 97 -4,-1.3 4,-2.3 -5,-0.4 -2,-0.2 0.919 114.2 48.9 -58.5 -43.6 59.4 32.8 14.4 111 115 A T H X S+ 0 0 49 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.915 109.3 52.6 -63.8 -42.0 59.3 29.0 14.1 112 116 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 8,-0.3 0.885 109.1 49.7 -59.9 -39.3 57.2 29.3 10.9 113 117 A F H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 117.1 41.3 -67.9 -39.9 59.8 31.7 9.4 114 118 A R H < S+ 0 0 130 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.908 127.0 30.1 -72.3 -43.1 62.6 29.3 10.3 115 119 A Q H < S+ 0 0 122 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.897 134.7 12.3 -86.0 -48.0 60.9 26.0 9.3 116 120 A H X + 0 0 90 -4,-1.7 4,-2.2 -5,-0.3 3,-0.5 -0.448 63.7 161.6-133.0 62.4 58.5 26.8 6.4 117 121 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.844 75.9 55.6 -51.4 -38.8 59.2 30.3 5.1 118 122 A D H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.916 109.3 45.7 -63.5 -43.3 57.4 29.6 1.8 119 123 A K H > S+ 0 0 100 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.914 111.4 53.5 -64.6 -41.4 54.2 28.6 3.5 120 124 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 -8,-0.3 -2,-0.2 0.919 110.2 46.9 -59.1 -44.2 54.5 31.6 5.8 121 125 A Q H X S+ 0 0 44 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.895 109.5 54.2 -64.4 -39.9 54.8 34.0 2.8 122 126 A E H X S+ 0 0 123 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.927 111.0 46.2 -59.8 -45.5 51.9 32.4 1.1 123 127 A V H >< S+ 0 0 15 -4,-2.5 3,-1.4 1,-0.2 4,-0.2 0.961 113.9 47.1 -62.2 -51.9 49.8 33.0 4.3 124 128 A L H >< S+ 0 0 4 -4,-2.9 3,-2.2 1,-0.3 4,-0.3 0.868 100.9 67.1 -61.1 -33.2 51.0 36.6 4.6 125 129 A A H >< S+ 0 0 46 -4,-2.9 3,-1.8 1,-0.3 4,-0.3 0.747 80.9 78.3 -60.5 -22.6 50.3 37.3 0.8 126 130 A T T << S+ 0 0 78 -3,-1.4 3,-0.3 -4,-0.6 -1,-0.3 0.715 83.3 65.4 -60.5 -17.9 46.6 36.9 1.5 127 131 A A T X S+ 0 0 9 -3,-2.2 3,-1.4 -4,-0.2 -1,-0.3 0.794 81.8 85.3 -73.0 -25.5 46.7 40.4 2.9 128 132 A N T < S+ 0 0 122 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.806 101.7 19.3 -45.4 -52.8 47.6 41.8 -0.6 129 133 A E T 3 S+ 0 0 187 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.021 86.8 144.5-114.6 31.0 44.2 42.2 -2.2 130 134 A V < - 0 0 38 -3,-1.4 2,-0.1 1,-0.1 7,-0.1 -0.391 54.8-105.6 -70.4 144.7 41.9 42.2 0.9 131 135 A A - 0 0 50 1,-0.1 2,-1.7 -2,-0.1 6,-0.1 -0.373 29.9-115.9 -68.1 145.4 38.8 44.4 0.9 132 136 A D S S+ 0 0 112 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.319 77.5 97.0 -83.2 57.1 39.0 47.6 3.0 133 137 A H S > S- 0 0 93 -2,-1.7 4,-2.2 1,-0.1 3,-0.5 -0.990 81.6-105.8-144.7 153.6 36.2 46.8 5.5 134 138 A A H > S+ 0 0 17 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.828 115.0 50.1 -40.3 -51.0 35.8 45.3 9.1 135 139 A D H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 110.9 47.9 -61.7 -45.1 34.4 42.0 8.0 136 140 A A H > S+ 0 0 20 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.911 114.7 47.4 -62.1 -42.9 37.2 41.3 5.4 137 141 A F H X S+ 0 0 1 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.904 108.2 52.1 -67.5 -42.2 39.9 42.2 7.9 138 142 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.941 114.8 44.8 -59.7 -45.3 38.6 40.2 10.9 139 143 A E H X S+ 0 0 84 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.956 115.4 47.2 -60.7 -52.5 38.5 37.2 8.6 140 144 A L H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.935 110.9 50.9 -54.7 -51.6 41.9 37.9 7.1 141 145 A D H X S+ 0 0 4 -4,-3.4 4,-2.5 1,-0.2 5,-0.3 0.920 110.5 48.6 -55.5 -48.7 43.6 38.5 10.5 142 146 A Y H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.946 112.9 48.1 -58.6 -47.1 42.3 35.2 11.9 143 147 A N H X S+ 0 0 58 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.854 111.1 50.8 -65.9 -31.4 43.5 33.3 8.9 144 148 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.954 113.3 43.2 -72.0 -46.6 46.9 34.9 9.0 145 149 A F H X S+ 0 0 5 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.932 121.2 41.8 -64.1 -41.7 47.5 34.2 12.7 146 150 A R H X S+ 0 0 64 -4,-2.6 4,-3.1 -5,-0.3 5,-0.2 0.920 113.0 53.1 -71.7 -40.4 46.2 30.6 12.3 147 151 A G H X S+ 0 0 12 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.884 111.5 46.4 -60.6 -38.1 47.9 30.1 8.9 148 152 A L H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.845 109.6 54.3 -72.8 -33.2 51.2 31.1 10.6 149 153 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 -5,-0.2 5,-0.5 0.963 112.1 44.3 -62.4 -49.6 50.4 28.8 13.5 150 154 A F H >< S+ 0 0 98 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.926 108.9 57.9 -58.3 -45.7 49.9 25.9 11.0 151 155 A A H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -35,-0.2 0.639 87.4 75.7 -62.3 -15.9 53.1 26.9 9.1 152 156 A S T << S- 0 0 4 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.794 103.6-128.1 -65.8 -24.9 55.2 26.5 12.3 153 157 A G S < S+ 0 0 48 -3,-1.9 -2,-0.1 -4,-0.4 -3,-0.1 0.363 82.8 104.2 93.1 -9.4 54.9 22.8 11.7 154 158 A N >> - 0 0 72 -5,-0.5 3,-1.2 1,-0.1 4,-0.5 -0.898 55.5-165.6-106.5 101.7 53.7 22.3 15.2 155 159 A P H 3> S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.611 74.8 81.5 -64.9 -12.1 50.0 21.7 14.9 156 160 A I H 3> S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 88.7 55.9 -61.4 -38.4 49.3 22.2 18.7 157 161 A Y H <> S+ 0 0 49 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.901 106.7 50.3 -60.2 -39.7 49.3 26.0 18.1 158 162 A G H X S+ 0 0 0 -4,-0.5 4,-2.8 -9,-0.3 -1,-0.2 0.888 107.5 52.9 -65.6 -38.4 46.6 25.5 15.5 159 163 A L H X S+ 0 0 112 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.859 107.8 52.1 -65.6 -34.8 44.5 23.5 17.9 160 164 A I H >< S+ 0 0 69 -4,-1.9 3,-0.7 1,-0.2 4,-0.3 0.985 116.3 39.2 -63.4 -52.9 44.8 26.2 20.4 161 165 A L H >< S+ 0 0 13 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.785 96.1 85.1 -65.1 -33.4 43.6 28.8 17.9 162 166 A N H 3< S+ 0 0 64 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.702 87.9 48.2 -43.4 -37.4 40.9 26.6 16.2 163 167 A G T << S+ 0 0 59 -3,-0.7 3,-0.5 -4,-0.5 4,-0.4 0.775 98.3 66.6 -82.6 -23.9 38.1 27.3 18.6 164 168 A M <> + 0 0 17 -3,-1.3 4,-5.8 -4,-0.3 5,-0.3 0.573 65.8 105.7 -73.7 -10.0 38.3 31.1 18.8 165 169 A K H > S+ 0 0 64 -3,-0.5 4,-3.6 -4,-0.5 5,-0.3 0.858 87.7 38.1 -35.1 -60.2 37.3 31.6 15.1 166 170 A G H > S+ 0 0 50 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.942 125.2 38.6 -60.4 -49.8 33.8 32.8 16.1 167 171 A L H > S+ 0 0 35 -4,-0.4 4,-2.5 2,-0.2 5,-0.3 0.952 117.1 54.3 -62.7 -49.5 34.9 34.7 19.2 168 172 A Y H X S+ 0 0 23 -4,-5.8 4,-2.9 1,-0.3 -2,-0.2 0.942 110.9 41.7 -49.3 -61.8 38.0 35.8 17.3 169 173 A T H X S+ 0 0 8 -4,-3.6 4,-3.4 -5,-0.3 -1,-0.3 0.831 110.4 62.1 -61.1 -28.0 36.1 37.4 14.4 170 174 A R H X S+ 0 0 145 -4,-1.6 4,-1.4 -5,-0.3 -2,-0.2 0.975 110.1 36.5 -60.1 -57.9 33.7 38.8 16.9 171 175 A I H X S+ 0 0 31 -4,-2.5 4,-2.6 1,-0.2 3,-0.3 0.938 119.1 53.9 -59.2 -45.8 36.3 40.9 18.6 172 176 A G H X S+ 0 0 5 -4,-2.9 4,-3.4 -5,-0.3 -2,-0.2 0.864 101.7 55.3 -57.7 -41.0 37.9 41.5 15.2 173 177 A R H < S+ 0 0 94 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 113.1 43.3 -63.1 -36.7 34.7 42.8 13.5 174 178 A H H >< S+ 0 0 114 -4,-1.4 3,-1.0 -3,-0.3 4,-0.3 0.947 118.5 44.6 -70.4 -48.3 34.4 45.5 16.2 175 179 A Y H >< S+ 0 0 17 -4,-2.6 3,-1.6 1,-0.2 6,-0.3 0.926 110.3 52.0 -62.7 -49.9 38.1 46.3 16.1 176 180 A F T 3< S+ 0 0 3 -4,-3.4 -1,-0.2 1,-0.3 -39,-0.2 0.329 84.8 85.4 -76.3 11.8 38.6 46.4 12.4 177 181 A A T < S+ 0 0 59 -3,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.737 77.4 82.0 -78.5 -24.5 35.7 48.8 11.9 178 182 A N S X> S- 0 0 41 -3,-1.6 4,-1.7 -4,-0.3 3,-0.7 -0.693 77.7-148.1 -82.4 121.4 38.3 51.5 12.6 179 183 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.827 99.0 58.0 -59.8 -28.5 40.4 52.3 9.5 180 184 A E H 3> S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.856 102.6 53.2 -69.7 -31.8 43.4 53.0 11.6 181 185 A A H <> S+ 0 0 0 -3,-0.7 4,-1.8 -6,-0.3 -1,-0.2 0.900 110.1 49.0 -66.6 -39.3 43.2 49.4 13.0 182 186 A R H X S+ 0 0 24 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.892 111.1 49.1 -67.2 -40.2 43.2 48.2 9.4 183 187 A S H X S+ 0 0 83 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.922 110.0 49.3 -66.4 -46.1 46.2 50.3 8.5 184 188 A L H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.914 111.5 52.0 -60.0 -39.9 48.3 49.2 11.5 185 189 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.919 108.7 48.5 -63.1 -45.3 47.4 45.6 10.6 186 190 A L H X S+ 0 0 70 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.922 111.2 50.6 -63.1 -39.9 48.5 45.9 7.0 187 191 A G H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.917 111.5 50.2 -61.3 -39.0 51.7 47.5 8.1 188 192 A F H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 111.2 45.2 -65.7 -48.2 52.2 44.6 10.5 189 193 A Y H X S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.905 113.7 51.2 -63.3 -39.3 51.6 41.9 7.9 190 194 A H H X S+ 0 0 144 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.936 110.2 48.5 -63.2 -44.9 53.9 43.7 5.4 191 195 A K H X S+ 0 0 76 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.848 109.8 52.9 -64.4 -33.9 56.7 43.9 8.0 192 196 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.916 108.9 49.4 -68.0 -41.2 56.3 40.2 8.9 193 197 A S H X S+ 0 0 36 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.937 111.5 49.4 -61.7 -45.4 56.7 39.3 5.2 194 198 A A H X S+ 0 0 28 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.946 111.4 48.7 -59.2 -49.2 59.8 41.5 4.9 195 199 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 -1,-0.2 0.849 112.6 47.1 -59.6 -38.7 61.3 39.9 8.1 196 200 A C H ><5S+ 0 0 11 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.878 112.6 51.1 -70.3 -37.2 60.6 36.4 6.8 197 201 A S H 3<5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.912 113.9 43.6 -63.3 -43.1 62.1 37.5 3.4 198 202 A E T 3<5S- 0 0 129 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.443 109.4-125.6 -81.0 -2.9 65.2 38.8 5.2 199 203 A G T < 5 + 0 0 33 -3,-0.7 2,-1.5 -5,-0.2 3,-0.2 0.821 55.8 155.6 60.2 29.1 65.3 35.7 7.3 200 204 A A > < + 0 0 7 -5,-2.9 3,-1.6 -6,-0.2 4,-0.4 -0.433 1.3 156.3 -88.8 62.8 65.3 38.1 10.3 201 205 A H G > + 0 0 49 -2,-1.5 3,-0.7 1,-0.3 4,-0.4 0.736 67.2 63.6 -55.3 -31.7 63.9 35.5 12.8 202 206 A D G 3 S+ 0 0 113 -3,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.706 97.3 54.5 -69.2 -25.2 65.4 37.4 15.6 203 207 A Q G <> S+ 0 0 66 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.526 85.1 85.5 -89.2 -7.2 63.3 40.6 15.0 204 208 A V H <> S+ 0 0 0 -3,-0.7 4,-2.7 -4,-0.4 5,-0.3 0.929 84.4 56.3 -58.7 -47.9 60.0 38.7 15.2 205 209 A Y H > S+ 0 0 116 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.925 112.0 38.5 -52.8 -53.9 59.7 38.9 18.9 206 210 A E H > S+ 0 0 101 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.877 115.0 54.3 -69.6 -34.3 60.0 42.7 19.2 207 211 A T H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.911 112.1 43.7 -63.8 -43.2 57.9 43.4 16.1 208 212 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.932 114.4 48.8 -69.8 -45.1 55.0 41.3 17.4 209 213 A R H X S+ 0 0 111 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.919 111.5 51.0 -58.8 -43.9 55.2 42.7 20.9 210 214 A R H X S+ 0 0 125 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.920 110.7 47.6 -61.3 -43.4 55.2 46.3 19.4 211 215 A Y H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.849 109.7 55.9 -66.1 -31.8 52.2 45.5 17.3 212 216 A G H X S+ 0 0 14 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.955 110.5 42.7 -64.0 -50.4 50.6 44.1 20.5 213 217 A H H X S+ 0 0 110 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.948 118.4 44.2 -59.1 -53.7 51.1 47.3 22.4 214 218 A E H X S+ 0 0 82 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.880 113.8 47.5 -62.6 -42.1 50.0 49.6 19.5 215 219 A S H X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.841 109.8 59.0 -67.7 -28.4 47.0 47.5 18.5 216 220 A G H X S+ 0 0 15 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.896 102.6 50.4 -64.4 -41.1 46.3 47.6 22.2 217 221 A E H X S+ 0 0 75 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.912 112.9 46.1 -63.5 -44.3 46.2 51.4 22.3 218 222 A I H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.949 113.5 48.8 -63.7 -49.3 43.7 51.5 19.4 219 223 A W H < S+ 0 0 27 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.932 112.9 46.8 -56.1 -52.5 41.5 48.7 20.9 220 224 A H H < S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 108.4 53.9 -58.3 -49.3 41.4 50.4 24.3 221 225 A R H < S+ 0 0 171 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.911 121.0 36.7 -50.8 -43.3 40.6 53.9 22.9 222 226 A M < 0 0 60 -4,-2.1 -2,-0.1 -5,-0.2 -3,-0.1 0.840 360.0 360.0 -71.0-108.8 37.7 52.1 21.1 223 227 A Q 0 0 153 -4,-0.3 -1,-0.1 -5,-0.1 -2,-0.1 -0.437 360.0 360.0 58.4 360.0 35.9 49.3 23.0