==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 24-MAR-05 1Z77 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR (TETR FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.D.KOCLEGA,M.CHRUSZCZ,M.D.ZIMMERMAN,M.CYMBOROWSKI, . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 80.0 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 68.5 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 0 1 2 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 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 1 A X 0 0 250 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.1 24.1 11.2 45.9 2 2 A L - 0 0 95 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.290 360.0-105.4 -57.6 145.4 20.5 11.7 47.1 3 3 A S > - 0 0 64 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.232 37.5-107.1 -56.3 164.9 17.7 9.5 45.5 4 4 A K H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 120.3 50.2 -66.3 -46.4 15.6 11.4 43.1 5 5 A R H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 112.8 47.7 -59.3 -38.7 12.6 11.6 45.3 6 6 A D H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 109.3 53.1 -72.5 -36.8 14.8 12.9 48.2 7 7 A A H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.883 111.6 46.4 -58.2 -46.0 16.5 15.5 45.9 8 8 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.908 111.6 51.2 -61.9 -52.6 13.0 16.8 44.9 9 9 A L H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.898 111.3 47.7 -53.4 -45.7 11.8 16.9 48.6 10 10 A K H X S+ 0 0 113 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 113.6 47.2 -59.2 -47.6 15.0 18.9 49.7 11 11 A A H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.878 110.9 53.1 -59.9 -41.7 14.5 21.3 46.8 12 12 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.937 107.5 49.6 -59.3 -46.9 10.8 21.6 47.7 13 13 A V H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.927 116.1 44.6 -56.8 -46.0 11.6 22.4 51.4 14 14 A E H X S+ 0 0 59 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.936 118.3 40.3 -68.7 -52.5 14.1 25.1 50.2 15 15 A V H X S+ 0 0 9 -4,-2.9 4,-2.8 2,-0.2 5,-0.5 0.939 117.3 47.8 -61.1 -51.6 11.9 26.7 47.5 16 16 A F H X S+ 0 0 0 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.853 113.4 48.2 -57.7 -37.3 8.7 26.5 49.4 17 17 A G H < S+ 0 0 11 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.810 114.8 45.7 -76.0 -26.9 10.3 28.0 52.5 18 18 A K H < S+ 0 0 84 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.876 131.1 17.0 -80.7 -36.2 11.9 30.8 50.5 19 19 A K H < S- 0 0 123 -4,-2.8 4,-0.4 1,-0.2 -3,-0.2 0.588 101.3-117.2-116.1 -19.1 8.9 31.8 48.4 20 20 A G X - 0 0 16 -4,-2.1 4,-1.5 -5,-0.5 -1,-0.2 -0.184 40.0 -75.6 93.5 166.0 5.8 30.3 50.1 21 21 A Y T 4 S+ 0 0 18 84,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.924 124.5 47.4 -70.1 -46.7 3.4 27.8 48.5 22 22 A D T 4 S+ 0 0 108 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.891 115.0 45.1 -65.6 -40.1 1.5 29.9 46.0 23 23 A R T 4 S+ 0 0 65 -4,-0.4 -1,-0.2 -7,-0.1 -2,-0.2 0.887 95.1 89.4 -73.3 -43.4 4.5 31.6 44.5 24 24 A A < - 0 0 0 -4,-1.5 2,-0.3 -8,-0.1 -8,-0.0 -0.186 63.0-155.9 -50.9 144.4 6.7 28.5 44.2 25 25 A T > - 0 0 64 1,-0.1 4,-1.3 22,-0.0 3,-0.1 -0.917 22.9-128.7-122.2 152.8 6.4 26.5 41.0 26 26 A T H > S+ 0 0 42 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.798 107.1 64.3 -63.7 -31.9 7.3 22.8 40.4 27 27 A D H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 105.3 44.3 -60.9 -43.8 9.5 23.8 37.4 28 28 A E H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.802 111.0 53.1 -75.5 -31.1 11.9 25.7 39.8 29 29 A I H X S+ 0 0 0 -4,-1.3 4,-3.3 2,-0.2 5,-0.2 0.951 112.4 45.9 -60.5 -49.6 11.8 22.9 42.4 30 30 A A H X>S+ 0 0 1 -4,-3.2 5,-2.4 2,-0.2 4,-1.0 0.939 114.6 47.4 -58.3 -45.2 12.8 20.4 39.6 31 31 A E H <5S+ 0 0 78 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.917 113.2 48.6 -61.5 -44.2 15.5 22.9 38.4 32 32 A K H <5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 115.9 43.3 -58.6 -47.7 16.7 23.4 42.0 33 33 A A H <5S- 0 0 22 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.545 108.4-129.9 -75.7 -9.6 16.8 19.6 42.4 34 34 A G T <5 + 0 0 68 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.910 64.3 130.5 63.4 41.2 18.4 19.2 38.9 35 35 A V < - 0 0 24 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.858 68.8 -88.9-126.0 157.0 15.8 16.6 38.0 36 36 A A >> - 0 0 73 -2,-0.3 3,-1.6 1,-0.1 4,-0.7 -0.465 35.6-130.0 -63.8 135.8 13.5 16.1 35.0 37 37 A K H >> S+ 0 0 125 1,-0.3 4,-1.4 2,-0.2 3,-0.8 0.800 106.2 60.5 -58.3 -35.9 10.1 17.9 35.6 38 38 A G H 3> S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.628 93.3 68.4 -69.7 -11.4 8.1 14.9 34.7 39 39 A L H <> S+ 0 0 46 -3,-1.6 4,-2.6 2,-0.2 5,-0.3 0.861 95.8 53.1 -74.4 -31.8 9.8 13.2 37.6 40 40 A I H S+ 0 0 4 -3,-0.8 4,-3.8 -4,-0.7 5,-0.7 0.978 111.2 45.2 -63.1 -51.2 7.9 15.5 39.9 41 41 A F H X5S+ 0 0 151 -4,-1.4 4,-2.0 3,-0.2 -2,-0.2 0.948 111.6 54.5 -53.2 -50.3 4.7 14.4 38.3 42 42 A H H <5S+ 0 0 127 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.904 123.2 26.1 -48.3 -48.6 5.9 10.7 38.5 43 43 A Y H <5S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.820 139.1 18.3 -88.7 -30.2 6.4 11.0 42.2 44 44 A F H <5S- 0 0 3 -4,-3.8 2,-2.7 -5,-0.3 6,-0.2 0.460 75.0-145.3-130.7 -9.2 4.1 13.7 43.3 45 45 A K S < S- 0 0 72 -2,-2.7 4,-2.3 -6,-0.1 5,-0.2 -0.917 83.3 -82.0-155.1 175.9 1.1 18.1 41.4 47 47 A K H > S+ 0 0 48 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.848 121.2 55.5 -55.5 -38.9 2.3 20.9 43.6 48 48 A E H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 109.5 45.7 -67.3 -44.8 -0.2 20.3 46.3 49 49 A E H > S+ 0 0 40 -5,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 111.0 54.1 -60.2 -44.8 0.9 16.7 46.8 50 50 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -6,-0.2 5,-0.2 0.960 110.8 45.7 -52.5 -53.4 4.6 17.7 46.7 51 51 A Y H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.945 113.6 48.7 -53.2 -51.2 4.0 20.2 49.5 52 52 A Y H X S+ 0 0 32 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.932 113.2 47.2 -59.2 -46.7 2.0 17.7 51.6 53 53 A Q H X S+ 0 0 51 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.888 113.3 48.4 -63.4 -42.3 4.7 15.0 51.2 54 54 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.911 113.3 48.6 -61.4 -43.6 7.4 17.4 52.1 55 55 A Y H X S+ 0 0 18 -4,-3.0 4,-2.1 -5,-0.2 5,-0.2 0.912 112.3 46.8 -62.6 -42.0 5.5 18.5 55.1 56 56 A X H X S+ 0 0 32 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.870 111.5 54.8 -69.9 -30.9 4.8 14.9 56.2 57 57 A S H X S+ 0 0 58 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.924 110.4 41.1 -68.5 -47.4 8.4 14.2 55.7 58 58 A V H X S+ 0 0 8 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.925 117.6 48.9 -65.9 -44.3 9.9 16.9 57.9 59 59 A T H X S+ 0 0 21 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.884 104.9 59.5 -66.2 -37.2 7.2 16.4 60.6 60 60 A E H X S+ 0 0 53 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.917 105.9 47.0 -56.6 -45.7 7.8 12.6 60.6 61 61 A K H X S+ 0 0 49 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.890 114.8 47.0 -68.8 -32.7 11.4 13.1 61.6 62 62 A L H X S+ 0 0 41 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.856 106.4 56.9 -69.9 -38.6 10.5 15.6 64.3 63 63 A Q H X S+ 0 0 36 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.926 107.2 51.0 -60.9 -40.7 7.7 13.3 65.6 64 64 A K H X S+ 0 0 90 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.910 109.0 48.5 -62.1 -45.9 10.4 10.6 66.1 65 65 A E H X S+ 0 0 99 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.940 112.9 50.5 -59.1 -42.9 12.7 13.0 68.0 66 66 A F H X S+ 0 0 10 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.916 105.4 55.9 -57.6 -46.6 9.7 13.9 70.1 67 67 A E H X S+ 0 0 92 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.910 110.7 43.7 -60.5 -40.5 8.9 10.2 70.8 68 68 A N H X S+ 0 0 80 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.891 112.5 52.7 -67.8 -39.0 12.3 9.6 72.2 69 69 A F H X S+ 0 0 10 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.935 109.4 49.4 -59.5 -46.2 12.3 12.8 74.2 70 70 A L H X S+ 0 0 28 -4,-2.8 4,-1.3 1,-0.2 3,-0.5 0.931 108.3 53.5 -58.8 -47.9 8.9 11.8 75.7 71 71 A X H < S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.888 115.8 38.9 -51.6 -47.3 10.2 8.3 76.7 72 72 A K H < S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.658 125.2 35.7 -81.3 -19.9 13.2 9.6 78.6 73 73 A N H >< S+ 0 0 18 -4,-1.5 3,-2.1 -3,-0.5 -1,-0.2 0.295 78.8 116.1-121.1 4.2 11.5 12.6 80.2 74 74 A R T 3< S+ 0 0 73 -4,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.785 75.7 52.3 -46.2 -37.5 8.1 11.1 80.8 75 75 A N T 3 S+ 0 0 158 -4,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.511 86.5 108.6 -81.1 -3.4 8.4 11.4 84.6 76 76 A R S < S- 0 0 120 -3,-2.1 2,-0.1 1,-0.1 -3,-0.0 -0.256 85.2 -89.0 -72.8 154.4 9.3 15.1 84.7 77 77 A D > - 0 0 51 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.430 42.9-119.2 -47.8 137.2 7.1 17.9 85.9 78 78 A I H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.850 112.4 51.3 -60.7 -35.9 5.0 19.0 82.9 79 79 A F H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 113.7 44.2 -69.5 -40.8 6.3 22.6 83.0 80 80 A D H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.902 113.0 53.3 -61.6 -43.8 10.0 21.4 83.1 81 81 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.952 112.1 44.1 -50.6 -58.3 9.0 18.9 80.4 82 82 A X H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.932 113.6 49.8 -56.6 -51.5 7.7 21.7 78.1 83 83 A E H X S+ 0 0 22 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 112.4 48.1 -53.0 -46.3 10.6 24.0 78.8 84 84 A R H X S+ 0 0 32 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.879 113.2 46.5 -66.9 -37.2 13.1 21.3 78.0 85 85 A W H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.898 109.1 54.9 -73.7 -39.9 11.4 20.4 74.8 86 86 A I H X S+ 0 0 6 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.930 106.6 52.8 -56.0 -46.7 11.1 24.1 73.8 87 87 A E H X S+ 0 0 71 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.866 110.0 48.0 -51.6 -41.2 14.9 24.3 74.2 88 88 A K H X S+ 0 0 120 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.869 111.0 49.9 -73.3 -38.4 15.3 21.3 71.9 89 89 A K H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 111.7 48.5 -64.4 -42.5 12.9 22.8 69.3 90 90 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.877 111.6 50.5 -61.8 -44.9 14.9 26.1 69.4 91 91 A E H X S+ 0 0 45 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.933 112.4 47.0 -55.9 -47.5 18.1 24.2 69.1 92 92 A Y H X S+ 0 0 27 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.862 108.8 52.9 -63.9 -44.2 16.8 22.2 66.1 93 93 A S H < S+ 0 0 13 -4,-2.5 7,-0.3 1,-0.2 -1,-0.2 0.890 108.1 52.1 -58.7 -40.6 15.4 25.3 64.3 94 94 A A H < S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.780 116.5 38.5 -67.5 -26.1 18.8 27.0 64.5 95 95 A S H < S+ 0 0 78 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.467 124.3 40.5-104.7 -9.1 20.6 24.0 63.0 96 96 A H X + 0 0 59 -4,-1.3 4,-2.1 -3,-0.2 -1,-0.2 -0.476 68.3 154.6-131.2 59.2 17.9 23.3 60.5 97 97 A P H > S+ 0 0 24 0, 0.0 4,-2.9 0, 0.0 74,-0.3 0.804 71.8 55.0 -63.7 -30.5 16.8 26.8 59.3 98 98 A E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.911 110.7 46.0 -69.1 -37.8 15.5 25.6 55.9 99 99 A E H > S+ 0 0 45 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.903 113.5 49.0 -67.3 -45.7 13.2 23.1 57.6 100 100 A A H X S+ 0 0 7 -4,-2.1 4,-1.6 -7,-0.3 -2,-0.2 0.941 111.5 49.3 -57.4 -47.8 12.1 25.8 60.1 101 101 A D H < S+ 0 0 30 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.858 112.9 49.0 -58.2 -39.0 11.4 28.3 57.3 102 102 A F H >< S+ 0 0 0 -4,-2.0 3,-1.3 -5,-0.2 4,-0.2 0.925 105.9 55.2 -65.5 -47.6 9.5 25.6 55.4 103 103 A L H >< S+ 0 0 19 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.898 102.9 56.2 -57.7 -38.6 7.3 24.5 58.4 104 104 A I G >< S+ 0 0 17 -4,-1.6 3,-1.1 1,-0.3 -1,-0.3 0.702 88.4 76.9 -71.9 -15.4 6.0 28.1 59.0 105 105 A T G <> + 0 0 10 -3,-1.3 4,-0.7 -4,-0.5 -84,-0.3 0.662 62.6 96.9 -68.7 -10.4 4.7 28.4 55.5 106 106 A L G <4 S+ 0 0 24 -3,-1.6 2,-1.5 1,-0.3 3,-0.5 0.853 74.3 70.6 -53.6 -30.2 1.7 26.2 56.5 107 107 A V T <4 S+ 0 0 90 -3,-1.1 -1,-0.3 1,-0.2 3,-0.1 -0.588 95.1 45.8 -79.0 77.4 -0.1 29.6 56.9 108 108 A S T 4 S+ 0 0 55 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.038 85.2 102.3-171.8 -28.1 -0.3 30.6 53.2 109 109 A V S < S- 0 0 11 -4,-0.7 -1,-0.3 -3,-0.5 5,-0.0 -0.151 86.5 -83.0 -66.5 157.9 -1.6 27.4 51.6 110 110 A D > - 0 0 69 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.040 41.9-103.4 -58.3 167.9 -5.3 27.3 50.8 111 111 A E H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.941 120.8 51.4 -55.1 -50.5 -7.9 26.3 53.4 112 112 A G H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.827 109.7 46.7 -57.6 -47.5 -8.2 22.8 52.0 113 113 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 113.8 47.7 -62.1 -44.5 -4.4 22.0 51.9 114 114 A R H X S+ 0 0 117 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.846 113.3 48.7 -67.8 -35.9 -3.8 23.2 55.5 115 115 A K H X S+ 0 0 90 -4,-2.1 4,-3.8 -5,-0.2 5,-0.2 0.931 109.0 52.3 -71.0 -47.6 -6.8 21.3 56.8 116 116 A R H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.910 113.5 44.8 -44.7 -51.4 -5.7 18.1 55.0 117 117 A I H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.922 115.2 47.3 -66.4 -44.7 -2.3 18.4 56.6 118 118 A L H X S+ 0 0 57 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.916 112.7 49.4 -62.3 -42.1 -3.9 19.3 60.0 119 119 A L H < S+ 0 0 125 -4,-3.8 4,-0.5 1,-0.2 3,-0.3 0.893 114.8 45.0 -57.4 -40.5 -6.3 16.2 59.7 120 120 A D H < S+ 0 0 82 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.651 116.3 45.9 -86.3 -17.3 -3.4 13.9 58.8 121 121 A L H X S+ 0 0 20 -4,-1.4 4,-2.7 -3,-0.2 5,-0.3 0.500 88.0 89.3 -96.4 -6.9 -1.2 15.3 61.6 122 122 A E H X S+ 0 0 118 -4,-1.0 4,-2.3 -3,-0.3 5,-0.2 0.923 85.1 52.8 -57.7 -45.7 -3.9 15.2 64.3 123 123 A K H 4 S+ 0 0 83 -4,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.871 113.9 41.9 -61.5 -39.8 -3.0 11.6 65.3 124 124 A S H >> S+ 0 0 29 -4,-0.3 3,-1.1 1,-0.2 4,-0.5 0.898 114.8 48.2 -75.6 -43.3 0.6 12.4 65.8 125 125 A Q H >X S+ 0 0 99 -4,-2.7 4,-2.0 1,-0.2 3,-0.8 0.841 100.8 67.2 -62.0 -32.4 0.2 15.8 67.6 126 126 A R H 3X S+ 0 0 150 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.730 86.6 71.7 -64.5 -16.6 -2.4 14.2 69.9 127 127 A V H <> S+ 0 0 56 -3,-1.1 4,-1.0 -4,-0.3 -1,-0.2 0.944 105.2 36.0 -63.1 -49.1 0.5 12.2 71.4 128 128 A F H < S+ 0 0 123 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.887 111.8 55.2 -69.9 -36.7 -2.8 13.1 81.9 135 135 A K H >< S+ 0 0 33 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.858 98.6 63.9 -67.4 -29.2 0.0 15.1 83.6 136 136 A L H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.745 88.3 67.7 -68.8 -20.9 -2.5 17.8 84.6 137 137 A K T << S+ 0 0 92 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.607 98.1 54.2 -67.7 -14.9 -4.4 15.4 86.8 138 138 A D T < S+ 0 0 132 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.464 90.6 99.9 -95.1 -6.8 -1.2 15.5 89.1 139 139 A L S < S- 0 0 28 -3,-1.2 2,-1.4 -4,-0.2 8,-0.0 -0.613 76.1-132.0 -89.8 139.4 -1.3 19.2 89.3 140 140 A D - 0 0 121 -2,-0.3 60,-2.6 3,-0.0 3,-0.1 -0.661 39.3-160.9 -89.3 81.5 -2.7 21.0 92.3 141 141 A L B -A 199 0A 29 -2,-1.4 58,-0.3 58,-0.3 57,-0.1 -0.134 23.0 -96.7 -70.7 154.6 -4.9 23.4 90.3 142 142 A A > - 0 0 18 56,-3.5 3,-1.4 1,-0.1 -1,-0.1 -0.316 39.3-110.1 -60.4 153.0 -6.3 26.6 91.6 143 143 A E T 3 S+ 0 0 91 1,-0.2 -1,-0.1 56,-0.1 -2,-0.1 0.686 118.2 45.8 -60.3 -21.1 -9.9 26.3 92.7 144 144 A D T 3 S+ 0 0 141 1,-0.1 2,-0.6 2,-0.1 -1,-0.2 0.343 95.3 85.7-104.5 8.2 -11.1 28.4 89.7 145 145 A V < - 0 0 31 -3,-1.4 2,-0.1 53,-0.2 -4,-0.1 -0.923 63.9-150.9-118.7 117.9 -9.0 26.7 87.0 146 146 A T > - 0 0 70 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.335 27.2-117.4 -77.3 160.8 -10.3 23.6 85.2 147 147 A E H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.784 118.3 58.5 -66.0 -27.5 -8.0 21.0 83.7 148 148 A E H > S+ 0 0 121 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.895 106.3 43.5 -66.1 -44.9 -9.6 22.0 80.4 149 149 A I H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 115.4 52.2 -70.0 -38.7 -8.6 25.7 80.7 150 150 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.941 111.5 44.2 -58.9 -48.9 -5.1 24.6 81.8 151 151 A L H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.966 114.6 50.2 -62.6 -50.1 -4.7 22.3 78.9 152 152 A K H X S+ 0 0 146 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.892 114.5 43.7 -50.8 -46.3 -6.0 24.9 76.4 153 153 A F H X S+ 0 0 90 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.934 113.6 49.1 -74.2 -46.9 -3.7 27.6 77.8 154 154 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.874 113.2 46.8 -57.6 -45.6 -0.6 25.4 78.0 155 155 A X H X S+ 0 0 39 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.880 112.4 50.6 -63.2 -43.1 -1.0 24.1 74.3 156 156 A W H X S+ 0 0 170 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.863 112.3 47.8 -57.8 -42.5 -1.6 27.6 73.0 157 157 A F H X S+ 0 0 33 -4,-2.1 4,-2.3 3,-0.2 5,-0.2 0.932 114.9 45.3 -62.0 -51.9 1.5 28.8 74.8 158 158 A F H X S+ 0 0 22 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.984 121.5 35.5 -58.3 -59.1 3.5 26.0 73.5 159 159 A S H X S+ 0 0 56 -4,-3.1 4,-2.1 1,-0.2 -3,-0.2 0.834 117.9 53.3 -67.1 -31.7 2.2 26.2 69.8 160 160 A G H X S+ 0 0 14 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.893 105.8 52.0 -73.5 -35.7 2.0 29.9 69.9 161 161 A F H X S+ 0 0 29 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.927 110.4 49.9 -66.5 -43.1 5.6 30.4 71.1 162 162 A E H X S+ 0 0 67 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.918 110.1 49.7 -61.8 -44.5 6.8 28.2 68.2 163 163 A E H X S+ 0 0 78 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.905 111.5 50.4 -60.1 -40.6 4.9 30.1 65.8 164 164 A V H X S+ 0 0 87 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.954 113.4 41.1 -66.2 -50.6 6.3 33.4 67.1 165 165 A Y H X S+ 0 0 6 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.927 113.7 53.1 -71.2 -34.4 9.9 32.5 67.0 166 166 A L H < S+ 0 0 15 -4,-2.1 4,-0.2 -5,-0.3 -1,-0.2 0.914 116.1 40.5 -61.0 -39.9 9.8 30.7 63.6 167 167 A R H >< S+ 0 0 143 -4,-1.8 3,-0.8 -5,-0.2 -1,-0.2 0.918 117.0 49.1 -72.8 -46.8 8.1 33.8 62.1 168 168 A T H 3< S+ 0 0 90 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.865 120.1 35.4 -62.2 -39.9 10.4 36.3 63.9 169 169 A Y T >< S+ 0 0 25 -4,-3.0 3,-3.0 -5,-0.2 -1,-0.2 0.310 81.6 148.3-102.4 13.4 13.6 34.5 63.0 170 170 A Q T < S- 0 0 106 -3,-0.8 -3,-0.1 1,-0.3 -4,-0.0 -0.187 80.2 -2.3 -52.3 124.3 12.6 33.4 59.6 171 171 A G T 3 S+ 0 0 50 -74,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.562 116.4 94.4 71.0 5.6 15.7 33.3 57.3 172 172 A K X> + 0 0 57 -3,-3.0 4,-1.8 1,-0.1 3,-0.6 -0.483 35.6 154.7-128.8 64.1 17.8 34.6 60.2 173 173 A P H 3> S+ 0 0 37 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.840 74.6 57.9 -62.9 -34.0 19.4 31.7 62.0 174 174 A E H 3> S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.853 105.7 51.2 -64.6 -32.1 22.4 33.7 63.3 175 175 A L H <> S+ 0 0 86 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.888 109.2 50.3 -68.2 -44.2 19.9 36.0 65.0 176 176 A L H X S+ 0 0 7 -4,-1.8 4,-1.0 -7,-0.2 -2,-0.2 0.945 110.9 48.7 -56.6 -49.7 18.2 33.0 66.6 177 177 A K H < S+ 0 0 105 -4,-2.6 4,-0.4 1,-0.2 3,-0.4 0.899 111.8 50.8 -57.8 -40.2 21.5 31.7 67.9 178 178 A R H < S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.841 117.2 37.3 -67.3 -35.7 22.3 35.1 69.2 179 179 A D H X S+ 0 0 54 -4,-1.9 4,-2.6 -3,-0.2 3,-0.4 0.442 87.7 104.6 -91.2 -5.0 19.0 35.5 71.1 180 180 A X H X S+ 0 0 40 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.1 0.880 79.7 46.6 -49.4 -50.2 18.9 31.8 72.2 181 181 A N H > S+ 0 0 140 -4,-0.4 4,-2.2 -3,-0.2 -1,-0.2 0.857 114.6 47.1 -55.7 -46.2 19.9 32.4 75.9 182 182 A T H > S+ 0 0 81 -3,-0.4 4,-2.8 -4,-0.2 -2,-0.2 0.935 111.6 50.2 -63.7 -49.6 17.5 35.3 76.3 183 183 A L H X S+ 0 0 15 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.909 111.5 50.5 -54.2 -44.7 14.6 33.3 74.7 184 184 A V H X S+ 0 0 18 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.931 111.1 46.3 -62.1 -49.9 15.3 30.4 77.0 185 185 A E H X S+ 0 0 95 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.897 112.9 51.0 -56.6 -45.5 15.3 32.5 80.1 186 186 A E H X S+ 0 0 93 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.918 109.1 50.8 -56.2 -46.9 12.1 34.3 78.9 187 187 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.929 107.6 54.0 -61.2 -43.6 10.4 30.9 78.4 188 188 A K H X S+ 0 0 70 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.930 111.6 44.0 -50.9 -50.3 11.4 29.7 81.9 189 189 A V H X S+ 0 0 59 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.915 112.2 52.2 -68.1 -40.6 9.8 32.7 83.5 190 190 A X H X S+ 0 0 93 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.921 109.8 48.3 -63.3 -43.4 6.7 32.6 81.4 191 191 A L H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.872 111.9 50.6 -62.8 -36.7 6.1 28.8 82.3 192 192 A R H X S+ 0 0 147 -4,-1.8 4,-3.1 -5,-0.3 5,-0.2 0.916 108.8 52.8 -66.5 -38.2 6.7 29.7 86.0 193 193 A I H X S+ 0 0 109 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.927 112.5 43.4 -56.9 -50.2 4.1 32.5 85.6 194 194 A L H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 114.1 50.3 -65.6 -46.6 1.6 30.1 84.1 195 195 A K H X S+ 0 0 68 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.951 113.6 45.7 -55.1 -51.2 2.3 27.4 86.8 196 196 A K H < S+ 0 0 169 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.0 47.1 -62.9 -38.3 2.0 29.9 89.6 197 197 A G H < S+ 0 0 56 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.795 116.0 44.6 -75.3 -25.3 -1.3 31.4 88.1 198 198 A X H < S+ 0 0 9 -4,-2.1 -56,-3.5 -3,-0.2 -1,-0.2 0.694 108.0 61.9 -87.8 -23.7 -2.8 27.9 87.5 199 199 A T B < A 141 0A 34 -4,-1.7 -58,-0.3 -58,-0.3 -57,-0.1 -0.554 360.0 360.0-107.4 167.2 -2.0 26.2 90.8 200 200 A K 0 0 114 -60,-2.6 -59,-0.1 -2,-0.2 -1,-0.1 0.829 360.0 360.0 -72.0 360.0 -2.7 26.6 94.5