==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 19-SEP-06 2IEK . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.D.KOCLEGA,M.CHRUSZCZ,W.MINOR . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 81.4 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 . 2 1.0 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 67.8 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 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 2 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 . 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 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 L 0 0 159 0, 0.0 2,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 150.6 17.6 -12.7 6.6 2 3 A S > - 0 0 63 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.374 360.0-109.7 -67.9 160.3 14.5 -14.6 7.7 3 4 A K H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 120.8 52.4 -60.6 -38.2 14.1 -18.0 5.9 4 5 A R H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 111.1 46.2 -62.1 -44.3 11.1 -16.5 4.0 5 6 A D H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 108.4 54.1 -68.2 -38.4 13.1 -13.5 2.9 6 7 A A H X S+ 0 0 19 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 110.8 48.2 -61.2 -43.5 16.1 -15.4 1.8 7 8 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 110.4 49.7 -61.1 -47.7 13.8 -17.5 -0.5 8 9 A L H X S+ 0 0 12 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.922 111.4 50.4 -61.9 -42.8 12.0 -14.5 -1.9 9 10 A K H X S+ 0 0 120 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.918 113.3 44.3 -57.4 -48.4 15.4 -12.9 -2.7 10 11 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.841 110.1 57.0 -66.3 -36.3 16.7 -16.0 -4.4 11 12 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.943 104.3 51.1 -61.4 -47.7 13.4 -16.4 -6.2 12 13 A V H X S+ 0 0 14 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.911 114.3 46.0 -53.8 -41.7 13.7 -12.9 -7.8 13 14 A E H X S+ 0 0 60 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.928 116.3 41.8 -69.1 -48.1 17.2 -13.9 -8.9 14 15 A V H X>S+ 0 0 13 -4,-2.9 4,-2.3 2,-0.2 5,-0.5 0.937 116.3 47.5 -69.3 -49.3 16.4 -17.4 -10.4 15 16 A F H X5S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.876 111.8 53.6 -58.0 -36.7 13.1 -16.2 -12.1 16 17 A G H <5S+ 0 0 21 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.879 117.3 34.1 -63.1 -40.1 15.0 -13.2 -13.5 17 18 A K H <5S+ 0 0 107 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.729 131.8 27.3 -90.2 -26.3 17.7 -15.3 -15.1 18 19 A K H <5S- 0 0 111 -4,-2.3 4,-0.5 -5,-0.1 -3,-0.2 0.638 101.7-128.6-112.2 -22.0 15.8 -18.5 -16.1 19 20 A G X< - 0 0 20 -4,-1.5 4,-1.3 -5,-0.5 -1,-0.1 -0.115 35.5 -69.1 86.5 168.8 12.3 -17.1 -16.6 20 21 A Y T 4 S+ 0 0 11 84,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.951 126.4 46.2 -61.3 -53.7 9.1 -18.5 -15.2 21 22 A D T 4 S+ 0 0 117 1,-0.2 -1,-0.2 86,-0.2 -2,-0.1 0.888 118.6 38.2 -61.4 -46.2 8.8 -21.8 -17.1 22 23 A R T 4 S+ 0 0 190 -4,-0.5 -1,-0.2 -7,-0.1 -2,-0.2 0.609 91.0 103.1 -85.5 -14.0 12.4 -23.0 -16.7 23 24 A A < - 0 0 2 -4,-1.3 2,-0.3 -3,-0.3 -8,-0.1 -0.453 56.9-158.2 -69.6 140.0 13.0 -21.8 -13.1 24 25 A T > - 0 0 57 1,-0.1 4,-1.8 -2,-0.1 5,-0.1 -0.898 26.8-131.4-120.2 152.9 12.8 -24.7 -10.5 25 26 A T H > S+ 0 0 21 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.877 112.1 59.7 -67.0 -37.5 12.1 -24.5 -6.7 26 27 A D H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 105.9 47.6 -51.1 -47.1 15.2 -26.8 -6.3 27 28 A E H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.893 112.2 49.2 -62.2 -42.7 17.3 -24.0 -8.0 28 29 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.908 109.6 51.7 -64.4 -41.9 15.8 -21.4 -5.7 29 30 A A H X>S+ 0 0 1 -4,-2.8 5,-2.1 2,-0.2 4,-1.4 0.958 111.2 47.2 -61.5 -49.5 16.5 -23.5 -2.6 30 31 A E H ><5S+ 0 0 145 -4,-2.4 3,-0.6 2,-0.2 -1,-0.2 0.926 112.2 49.6 -54.0 -49.7 20.1 -23.9 -3.6 31 32 A K H 3<5S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.2 44.9 -57.9 -40.3 20.4 -20.2 -4.3 32 33 A A H 3<5S- 0 0 22 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.636 110.5-122.3 -81.3 -14.7 18.8 -19.4 -0.9 33 34 A G T <<5 + 0 0 65 -4,-1.4 2,-0.3 -3,-0.6 -3,-0.2 0.893 68.6 124.0 73.1 41.0 20.9 -21.9 1.0 34 35 A V S - 0 0 75 -2,-0.3 3,-1.4 1,-0.1 4,-0.5 -0.347 41.1-117.0 -61.9 148.4 16.8 -27.5 2.2 36 37 A K T >> S+ 0 0 61 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.865 113.2 59.0 -57.0 -39.3 14.6 -28.2 -0.8 37 38 A G H 3> S+ 0 0 54 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.724 89.0 73.6 -62.9 -22.9 11.6 -29.0 1.5 38 39 A L H X> S+ 0 0 45 -3,-1.4 4,-1.5 1,-0.2 3,-0.6 0.821 84.9 64.3 -65.1 -30.1 11.7 -25.6 3.1 39 40 A I H <> S+ 0 0 1 -3,-1.1 4,-2.3 -4,-0.5 -1,-0.2 0.927 103.5 48.1 -60.2 -39.9 10.2 -23.9 0.0 40 41 A F H 3< S+ 0 0 117 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.662 102.5 63.2 -76.0 -17.7 7.0 -25.8 0.5 41 42 A H H << S+ 0 0 141 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.906 118.0 27.0 -67.5 -42.7 6.8 -25.0 4.2 42 43 A Y H < S+ 0 0 92 -4,-1.5 2,-0.4 -3,-0.2 -2,-0.2 0.778 126.9 39.5 -91.5 -27.8 6.5 -21.3 3.4 43 44 A F < - 0 0 6 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.1 -0.971 66.7-139.2-131.9 138.4 4.9 -21.4 -0.1 44 45 A K S S- 0 0 163 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.890 78.1 -33.1 -60.6 -43.9 2.2 -23.7 -1.5 45 46 A N S > S- 0 0 49 -6,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.914 74.2 -73.0-164.9 179.5 3.8 -24.1 -4.9 46 47 A K H > S+ 0 0 51 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.853 126.2 54.7 -59.4 -38.5 5.9 -22.4 -7.6 47 48 A E H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 109.3 45.4 -60.9 -46.4 3.0 -20.2 -8.6 48 49 A E H > S+ 0 0 72 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 112.1 52.9 -68.5 -37.0 2.5 -18.9 -5.1 49 50 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 111.0 46.0 -60.7 -46.8 6.3 -18.3 -4.7 50 51 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.956 113.1 50.7 -60.1 -51.5 6.4 -16.3 -8.0 51 52 A Y H X S+ 0 0 56 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.908 111.4 46.6 -53.0 -46.5 3.3 -14.3 -6.9 52 53 A Q H X S+ 0 0 49 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.908 112.8 49.9 -68.4 -38.1 4.8 -13.5 -3.4 53 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.901 110.6 50.1 -62.7 -40.7 8.1 -12.4 -5.0 54 55 A Y H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.917 112.7 47.3 -67.0 -41.7 6.3 -10.2 -7.5 55 56 A X H X S+ 0 0 24 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.895 109.2 53.5 -63.9 -40.4 4.4 -8.6 -4.7 56 57 A S H X S+ 0 0 42 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.935 112.5 44.0 -60.8 -46.4 7.5 -8.1 -2.6 57 58 A V H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.923 113.6 50.4 -65.3 -43.9 9.2 -6.3 -5.5 58 59 A T H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.916 107.2 54.4 -60.3 -42.3 6.1 -4.2 -6.2 59 60 A E H X S+ 0 0 88 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.857 106.0 53.8 -56.9 -38.3 5.8 -3.3 -2.5 60 61 A K H X S+ 0 0 64 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.891 108.5 47.7 -61.9 -44.7 9.4 -2.0 -2.7 61 62 A L H X S+ 0 0 62 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.863 110.2 53.3 -68.4 -35.7 8.6 0.2 -5.7 62 63 A Q H X S+ 0 0 82 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.896 108.8 50.2 -61.0 -40.3 5.5 1.5 -3.7 63 64 A K H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.880 107.2 52.6 -67.4 -41.7 7.8 2.3 -0.9 64 65 A E H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.903 112.2 47.4 -60.2 -41.2 10.2 4.2 -3.2 65 66 A F H X S+ 0 0 19 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.918 108.8 52.7 -67.8 -43.8 7.2 6.3 -4.5 66 67 A E H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.903 110.6 48.6 -51.7 -48.1 5.9 7.0 -1.0 67 68 A N H X S+ 0 0 100 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.902 113.1 47.5 -62.5 -40.9 9.3 8.3 0.1 68 69 A F H X S+ 0 0 24 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.908 110.1 52.1 -64.5 -47.5 9.5 10.5 -3.1 69 70 A L H >X S+ 0 0 12 -4,-2.8 4,-1.4 1,-0.2 3,-0.9 0.940 108.7 49.9 -57.5 -49.3 5.9 11.8 -2.6 70 71 A X H 3< S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.895 115.5 44.1 -61.6 -34.6 6.6 12.9 1.0 71 72 A K H 3< S+ 0 0 128 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.589 126.2 29.0 -83.8 -13.1 9.8 14.7 -0.0 72 73 A N H X< S+ 0 0 24 -4,-1.1 3,-1.8 -3,-0.9 -2,-0.2 0.278 79.3 117.6-130.9 6.9 8.4 16.4 -3.2 73 74 A R T 3< S+ 0 0 131 -4,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.718 73.5 56.2 -56.5 -26.0 4.7 16.9 -2.4 74 75 A N T 3 S+ 0 0 138 -4,-0.2 -1,-0.3 -5,-0.1 3,-0.1 0.619 85.0 106.2 -83.6 -9.9 4.8 20.7 -2.5 75 76 A R S < S- 0 0 86 -3,-1.8 -3,-0.1 1,-0.1 0, 0.0 -0.314 85.7 -91.9 -68.0 151.0 6.2 20.9 -6.1 76 77 A D > - 0 0 63 1,-0.1 4,-3.1 4,-0.1 5,-0.2 -0.285 44.7-112.2 -54.0 142.9 4.1 21.9 -9.1 77 78 A I H > S+ 0 0 2 57,-0.2 4,-2.6 1,-0.2 5,-0.2 0.841 115.4 50.6 -61.3 -32.7 2.7 18.7 -10.5 78 79 A F H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 112.1 46.3 -67.8 -44.6 4.8 18.9 -13.8 79 80 A D H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 114.6 51.0 -58.8 -47.2 8.0 19.4 -11.9 80 81 A F H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.937 111.0 44.8 -56.5 -51.2 6.9 16.5 -9.6 81 82 A X H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 112.6 53.6 -64.1 -37.2 6.2 14.0 -12.4 82 83 A E H X S+ 0 0 19 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.935 111.2 44.1 -60.9 -53.1 9.4 15.0 -14.2 83 84 A R H X S+ 0 0 104 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.880 111.0 55.3 -59.8 -37.5 11.5 14.3 -11.1 84 85 A W H X S+ 0 0 34 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.915 106.8 50.1 -62.1 -41.6 9.6 11.1 -10.4 85 86 A I H X S+ 0 0 15 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.935 110.5 49.9 -62.8 -49.0 10.4 9.8 -13.9 86 87 A E H X S+ 0 0 39 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.923 112.3 48.0 -52.2 -43.9 14.1 10.6 -13.3 87 88 A K H X S+ 0 0 25 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.911 111.6 49.8 -65.9 -46.1 14.0 8.7 -10.0 88 89 A K H X S+ 0 0 78 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.897 110.6 49.8 -52.5 -50.7 12.3 5.7 -11.6 89 90 A L H X S+ 0 0 8 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.891 111.7 47.6 -58.2 -43.8 14.8 5.5 -14.4 90 91 A E H X S+ 0 0 113 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.868 110.9 53.3 -67.7 -38.2 17.7 5.7 -11.9 91 92 A Y H X S+ 0 0 24 -4,-2.3 4,-1.0 2,-0.2 3,-0.3 0.953 109.5 46.6 -58.7 -51.3 16.0 3.0 -9.8 92 93 A S H >< S+ 0 0 42 -4,-2.6 3,-0.7 1,-0.2 7,-0.3 0.918 111.9 51.8 -60.3 -42.4 15.7 0.6 -12.7 93 94 A A H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.828 114.1 43.3 -63.2 -30.9 19.3 1.2 -13.7 94 95 A S H 3< S+ 0 0 79 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.520 114.5 49.6 -94.6 -3.7 20.5 0.5 -10.2 95 96 A H S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.805 72.8 56.4 -69.0 -28.7 18.9 -4.8 -12.7 97 98 A E H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.881 110.1 46.2 -67.1 -37.3 18.0 -8.1 -11.0 98 99 A E H > S+ 0 0 35 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.918 113.1 48.3 -69.5 -42.1 14.6 -6.6 -10.0 99 100 A A H X S+ 0 0 23 -4,-2.2 4,-1.7 -7,-0.3 -2,-0.2 0.923 111.4 50.7 -63.9 -44.0 14.0 -5.2 -13.5 100 101 A D H < S+ 0 0 61 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.901 112.1 48.2 -58.4 -43.2 14.9 -8.6 -15.1 101 102 A F H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 4,-0.3 0.954 107.8 53.8 -64.2 -48.5 12.5 -10.3 -12.7 102 103 A L H >< S+ 0 0 37 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.842 101.4 58.9 -58.8 -34.8 9.6 -7.9 -13.4 103 104 A I G >< S+ 0 0 50 -4,-1.7 3,-0.9 1,-0.2 -1,-0.3 0.600 86.8 78.4 -72.3 -11.3 9.7 -8.4 -17.2 104 105 A T G X + 0 0 16 -3,-1.8 3,-1.5 -4,-0.4 -1,-0.2 0.632 68.8 87.8 -71.3 -12.7 9.1 -12.2 -16.8 105 106 A L G X S+ 0 0 16 -3,-1.3 3,-2.0 -4,-0.3 -1,-0.2 0.864 74.4 68.1 -56.5 -37.1 5.4 -11.5 -16.2 106 107 A V G < S+ 0 0 103 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.807 105.8 40.8 -47.2 -37.7 4.7 -11.7 -20.0 107 108 A S G < S+ 0 0 85 -3,-1.5 -1,-0.3 -4,-0.2 -86,-0.2 0.232 86.6 118.0-106.5 11.9 5.5 -15.4 -20.1 108 109 A V S < S- 0 0 2 -3,-2.0 5,-0.1 -4,-0.2 -3,-0.0 -0.518 81.4 -80.7 -78.2 149.5 3.8 -16.5 -16.9 109 110 A D >> - 0 0 91 -2,-0.2 4,-2.5 1,-0.1 3,-0.6 -0.164 45.2-114.2 -52.6 139.5 1.0 -19.0 -17.1 110 111 A E H 3> S+ 0 0 61 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.797 111.5 54.7 -52.2 -41.1 -2.2 -17.3 -18.1 111 112 A G H 3> S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.929 114.7 39.1 -59.5 -47.7 -4.1 -18.0 -14.7 112 113 A L H <> S+ 0 0 22 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.852 114.7 52.7 -73.8 -37.0 -1.3 -16.4 -12.6 113 114 A R H X S+ 0 0 86 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.950 110.8 47.5 -64.0 -45.5 -0.6 -13.6 -15.0 114 115 A 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-5.1 127 128 A F H > S+ 0 0 18 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.963 113.8 38.8 -55.3 -53.4 0.3 8.3 -8.0 128 129 A F H X S+ 0 0 28 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.809 113.4 56.2 -75.4 -28.4 -2.8 9.1 -10.2 129 130 A D H X S+ 0 0 74 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.868 110.4 47.1 -59.5 -44.2 -4.9 10.1 -7.1 130 131 A F H X S+ 0 0 35 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.951 111.0 49.8 -62.8 -46.8 -2.2 12.6 -6.4 131 132 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.935 108.4 54.4 -59.3 -47.4 -2.0 13.8 -10.0 132 133 A R H X S+ 0 0 92 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.905 112.6 41.9 -53.0 -46.1 -5.8 14.2 -9.9 133 134 A E H >< S+ 0 0 95 -4,-1.8 3,-0.8 1,-0.2 4,-0.3 0.916 113.8 51.6 -72.5 -39.9 -5.8 16.4 -6.8 134 135 A K H >< S+ 0 0 29 -4,-2.9 3,-1.4 1,-0.2 4,-0.3 0.780 97.3 66.1 -68.4 -25.7 -2.7 18.5 -8.0 135 136 A L H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.805 91.4 68.7 -62.7 -26.5 -4.4 19.2 -11.4 136 137 A K T << S+ 0 0 104 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.738 91.6 58.1 -63.8 -19.6 -6.9 21.2 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17.9 -15.2 147 148 A E H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 110.3 45.3 -60.9 -48.4 -10.7 14.6 -16.6 148 149 A I H > S+ 0 0 97 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.897 112.3 53.1 -61.1 -41.4 -9.1 15.1 -20.1 149 150 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.933 111.4 45.3 -61.4 -43.7 -5.9 16.3 -18.4 150 151 A L H X S+ 0 0 18 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.930 114.4 48.3 -68.6 -44.0 -5.7 13.1 -16.3 151 152 A K H X S+ 0 0 110 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.911 108.8 53.4 -62.6 -39.9 -6.6 10.8 -19.3 152 153 A F H X S+ 0 0 116 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.958 111.2 46.0 -60.5 -46.9 -4.0 12.5 -21.5 153 154 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 5,-0.3 0.946 111.7 52.3 -60.3 -49.4 -1.3 11.9 -18.9 154 155 A X H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.929 112.4 44.6 -51.7 -49.1 -2.4 8.2 -18.3 155 156 A W H X S+ 0 0 182 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.913 114.1 48.7 -67.0 -43.7 -2.2 7.5 -22.0 156 157 A F H X S+ 0 0 59 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.941 113.0 47.7 -61.4 -47.9 1.1 9.2 -22.6 157 158 A F H X S+ 0 0 13 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.891 109.8 53.7 -61.6 -37.5 2.7 7.4 -19.6 158 159 A S H X S+ 0 0 68 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.919 111.3 45.2 -55.4 -44.8 1.3 4.1 -20.9 159 160 A G H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.898 113.0 50.6 -71.5 -40.8 2.9 4.7 -24.3 160 161 A F H X S+ 0 0 41 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.940 111.3 48.2 -61.7 -47.8 6.2 5.8 -22.7 161 162 A E H X S+ 0 0 62 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.917 111.3 51.5 -58.7 -42.2 6.2 2.6 -20.5 162 163 A E H X S+ 0 0 49 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 113.5 42.0 -64.1 -42.4 5.5 0.4 -23.5 163 164 A V H X S+ 0 0 68 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.906 112.2 54.9 -73.8 -39.9 8.3 1.8 -25.6 164 165 A Y H X S+ 0 0 37 -4,-2.9 4,-3.1 -5,-0.2 5,-0.4 0.945 110.5 46.2 -54.8 -50.5 10.8 1.8 -22.6 165 166 A L H X S+ 0 0 85 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.912 113.3 48.3 -58.2 -46.8 10.2 -1.8 -22.0 166 167 A R H < S+ 0 0 169 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.881 118.9 40.8 -62.4 -36.9 10.5 -2.7 -25.7 167 168 A T H < S+ 0 0 51 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.881 127.5 24.4 -80.1 -41.5 13.7 -0.7 -26.0 168 169 A Y H >< S+ 0 0 30 -4,-3.1 3,-2.6 -5,-0.2 7,-0.2 0.551 78.3 125.6-110.2 -10.5 15.5 -1.5 -22.8 169 170 A Q T 3< S+ 0 0 102 -4,-2.0 -69,-0.1 -5,-0.4 -4,-0.0 -0.326 93.5 0.7 -59.3 124.7 14.3 -4.9 -21.5 170 171 A G T 3 S+ 0 0 54 -74,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.472 113.7 97.8 79.6 1.8 17.3 -7.2 -21.0 171 172 A K <> + 0 0 118 -3,-2.6 4,-1.9 1,-0.1 3,-0.4 -0.537 34.6 155.1-121.4 63.7 19.6 -4.4 -22.2 172 173 A P H > S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.880 75.5 54.1 -64.5 -36.5 21.1 -2.6 -19.1 173 174 A E H > S+ 0 0 142 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.855 106.5 52.3 -64.9 -31.8 24.2 -1.4 -20.9 174 175 A L H > S+ 0 0 43 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.933 109.9 49.0 -66.4 -44.9 22.1 0.3 -23.6 175 176 A L H X S+ 0 0 7 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 109.7 52.3 -57.2 -45.2 20.0 2.0 -20.8 176 177 A K H < S+ 0 0 64 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.918 112.4 45.3 -57.9 -45.1 23.3 3.2 -19.2 177 178 A R H < S+ 0 0 175 -4,-2.3 4,-0.3 1,-0.2 3,-0.2 0.848 119.4 40.6 -66.9 -34.3 24.5 4.6 -22.5 178 179 A D H X S+ 0 0 47 -4,-2.1 4,-3.0 1,-0.2 3,-0.3 0.568 86.4 98.1 -89.5 -13.4 21.2 6.3 -23.3 179 180 A X H X S+ 0 0 28 -4,-1.7 4,-3.0 -3,-0.3 5,-0.2 0.822 82.9 47.7 -50.2 -45.8 20.3 7.6 -19.8 180 181 A N H > S+ 0 0 134 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.939 115.3 44.6 -65.2 -44.2 21.6 11.2 -20.2 181 182 A T H > S+ 0 0 82 -3,-0.3 4,-2.0 -4,-0.3 -2,-0.2 0.905 113.3 52.1 -68.0 -42.3 19.8 11.6 -23.5 182 183 A L H X S+ 0 0 15 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.948 109.5 48.8 -59.9 -48.1 16.6 10.0 -22.1 183 184 A V H X S+ 0 0 25 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.915 109.9 51.4 -56.9 -45.8 16.6 12.4 -19.1 184 185 A E H X S+ 0 0 72 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.901 111.2 48.9 -55.4 -41.7 17.1 15.4 -21.3 185 186 A E H X S+ 0 0 91 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.884 108.6 52.6 -67.0 -43.4 14.1 14.3 -23.5 186 187 A V H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.901 105.4 54.6 -56.1 -48.5 11.9 13.7 -20.4 187 188 A K H X S+ 0 0 99 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.936 112.8 43.7 -53.0 -46.0 12.6 17.3 -19.2 188 189 A V H X S+ 0 0 79 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.916 112.0 52.0 -67.6 -44.7 11.4 18.7 -22.6 189 190 A X H X S+ 0 0 77 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.915 108.7 50.4 -63.0 -42.8 8.4 16.4 -22.9 190 191 A L H X S+ 0 0 6 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.831 109.6 51.9 -63.7 -29.9 7.2 17.4 -19.4 191 192 A R H X S+ 0 0 179 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.867 107.5 51.6 -73.4 -30.0 7.6 21.0 -20.4 192 193 A I H X S+ 0 0 110 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.925 110.9 48.4 -68.5 -45.8 5.5 20.3 -23.6 193 194 A L H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.941 113.8 47.8 -59.1 -45.5 2.7 18.8 -21.2 194 195 A K H X S+ 0 0 100 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.942 114.4 44.5 -58.6 -48.8 2.9 21.8 -18.9 195 196 A K H < S+ 0 0 172 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 116.8 45.6 -66.4 -36.5 2.7 24.4 -21.8 196 197 A G H < S+ 0 0 54 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.774 117.0 43.2 -82.0 -24.2 -0.2 22.5 -23.6 197 198 A X H < S+ 0 0 12 -4,-2.0 -56,-2.5 -5,-0.2 2,-0.3 0.634 108.6 58.6 -96.7 -14.6 -2.3 21.9 -20.5 198 199 A T B < A 140 0A 32 -4,-1.4 -58,-0.2 -58,-0.3 -56,-0.1 -0.793 360.0 360.0-119.2 158.5 -2.1 25.2 -18.7 199 200 A K 0 0 150 -60,-2.6 -60,-0.1 -2,-0.3 -58,-0.1 -0.398 360.0 360.0 -69.7 360.0 -3.0 28.8 -19.7