==== 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 28-FEB-06 2G7L . COMPND 2 MOLECULE: TETR-FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR A.EZERSKY,V.V.LUNIN,T.SKARINA,M.WIERZBICKA,A.JOACHIMIAK,A.M. . 201 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 68.7 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 1 1 0 0 1 0 0 2 0 0 2 0 1 0 0 0 0 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 16 A K 0 0 255 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.2 31.7 74.1 36.3 2 17 A P - 0 0 104 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.361 360.0-100.1 -61.1 146.4 28.8 71.7 35.1 3 18 A A - 0 0 91 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.461 32.9-121.5 -73.1 139.7 28.0 69.1 37.7 4 19 A L + 0 0 40 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.614 38.1 172.8 -80.9 133.7 29.5 65.6 37.3 5 20 A S > - 0 0 40 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.945 45.2-117.3-134.1 164.6 27.0 62.7 37.0 6 21 A R H > S+ 0 0 90 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.935 116.4 53.4 -59.1 -47.6 27.0 59.0 36.3 7 22 A R H > S+ 0 0 154 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 110.2 46.3 -56.2 -46.0 24.8 59.6 33.2 8 23 A W H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 111.1 52.0 -65.2 -45.3 27.2 62.3 31.8 9 24 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 114.4 42.4 -55.0 -45.4 30.3 60.2 32.4 10 25 A V H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.898 110.0 54.8 -76.8 -33.6 28.9 57.2 30.6 11 26 A D H X S+ 0 0 78 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.878 111.5 48.1 -63.4 -37.2 27.4 59.2 27.7 12 27 A T H X S+ 0 0 19 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.909 109.1 51.7 -65.9 -47.9 31.0 60.5 27.2 13 28 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.896 110.5 50.5 -52.4 -43.6 32.5 57.0 27.4 14 29 A V H X S+ 0 0 25 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.924 112.1 45.2 -63.9 -48.8 30.0 56.0 24.7 15 30 A A H X S+ 0 0 58 -4,-1.9 4,-1.6 1,-0.2 5,-0.2 0.913 111.2 53.9 -61.6 -45.2 30.9 58.9 22.5 16 31 A L H X S+ 0 0 7 -4,-3.4 4,-2.2 1,-0.2 5,-0.3 0.890 108.6 50.1 -54.7 -40.5 34.6 58.3 23.1 17 32 A X H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.925 111.1 46.8 -64.3 -51.3 34.2 54.6 22.0 18 33 A R H < S+ 0 0 159 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.785 120.2 40.2 -57.0 -33.5 32.4 55.4 18.7 19 34 A A H < S+ 0 0 83 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.778 135.2 13.4 -88.1 -31.9 34.9 58.1 17.8 20 35 A E H < S- 0 0 75 -4,-2.2 2,-0.2 -5,-0.2 -3,-0.2 0.495 104.1-101.6-132.9 -7.0 38.1 56.4 18.9 21 36 A G < - 0 0 32 -4,-2.6 -4,-0.2 -5,-0.3 -5,-0.0 -0.486 44.0 -90.3 124.6 -68.1 37.5 52.7 19.5 22 37 A L S S+ 0 0 15 -2,-0.2 3,-0.3 -6,-0.2 -1,-0.1 -0.098 116.0 81.1 135.0 -34.3 37.2 51.6 23.2 23 38 A E S S+ 0 0 147 1,-0.2 -2,-0.1 -3,-0.2 -6,-0.1 0.817 95.3 53.7 -59.7 -32.5 40.9 50.9 23.8 24 39 A K S S+ 0 0 101 -4,-0.2 2,-1.8 -8,-0.1 -1,-0.2 0.641 82.8 96.5 -75.2 -20.5 40.9 54.7 24.2 25 40 A V + 0 0 2 -3,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.529 52.5 143.6 -78.0 85.4 38.1 54.6 26.9 26 41 A T > - 0 0 41 -2,-1.8 4,-1.3 1,-0.1 5,-0.1 -0.766 63.9-112.0-115.9 167.9 40.2 54.7 30.0 27 42 A X H > S+ 0 0 9 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.879 119.7 49.1 -66.3 -38.3 39.4 56.5 33.3 28 43 A R H > S+ 0 0 165 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.937 111.3 47.6 -67.8 -49.2 42.4 58.9 32.6 29 44 A R H > S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.783 115.3 48.3 -59.7 -25.0 41.2 59.7 29.0 30 45 A L H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.899 108.5 51.0 -84.0 -41.6 37.7 60.2 30.4 31 46 A A H <>S+ 0 0 2 -4,-2.6 5,-2.7 2,-0.2 -2,-0.2 0.895 112.9 48.3 -56.9 -42.6 38.8 62.5 33.3 32 47 A Q H ><5S+ 0 0 117 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.926 109.1 52.7 -64.3 -44.8 40.7 64.5 30.7 33 48 A E H 3<5S+ 0 0 91 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 113.3 43.6 -65.3 -26.7 37.6 64.6 28.5 34 49 A L T 3<5S- 0 0 14 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.297 111.2-117.7-100.3 10.9 35.5 65.9 31.4 35 50 A D T < 5S+ 0 0 159 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.899 83.4 94.3 51.4 47.1 38.1 68.5 32.6 36 51 A T S > - 0 0 31 -2,-0.2 3,-1.3 -3,-0.1 4,-0.9 -0.714 33.3-109.8-102.1 158.2 40.6 64.1 37.7 38 53 A P H 3> S+ 0 0 52 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.803 113.3 65.7 -49.5 -38.4 40.2 60.2 37.9 39 54 A A H 34 S+ 0 0 79 1,-0.2 4,-0.4 2,-0.2 0, 0.0 0.823 99.4 53.2 -56.0 -35.4 39.3 60.4 41.7 40 55 A S H X4 S+ 0 0 43 -3,-1.3 3,-0.6 1,-0.2 4,-0.4 0.874 108.7 47.8 -66.4 -39.9 36.1 62.2 40.8 41 56 A L H >X S+ 0 0 0 -4,-0.9 4,-2.7 -3,-0.4 3,-1.1 0.762 98.4 71.0 -73.1 -26.2 35.0 59.6 38.3 42 57 A Y T 3< S+ 0 0 112 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.646 87.4 62.5 -72.5 -17.9 35.7 56.7 40.7 43 58 A V T <4 S+ 0 0 105 -3,-0.6 -1,-0.3 -4,-0.4 3,-0.2 0.799 115.6 33.0 -72.6 -28.5 32.8 57.6 42.9 44 59 A Y T <4 S+ 0 0 88 -3,-1.1 2,-0.5 -4,-0.4 -2,-0.2 0.894 134.7 22.2 -90.8 -52.1 30.4 56.9 39.9 45 60 A V < - 0 0 1 -4,-2.7 -1,-0.3 1,-0.1 6,-0.1 -0.973 69.1-159.6-123.2 117.0 32.4 54.1 38.1 46 61 A A - 0 0 65 -2,-0.5 2,-0.3 -3,-0.2 -4,-0.1 0.661 64.8 -16.2 -77.3 -15.7 34.8 52.2 40.3 47 62 A N S > S- 0 0 70 1,-0.1 4,-2.0 -20,-0.0 5,-0.2 -0.980 79.3 -74.5-169.8 177.6 37.1 50.7 37.6 48 63 A T H > S+ 0 0 82 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.906 125.4 49.0 -51.1 -49.8 37.6 49.9 34.0 49 64 A A H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.881 110.1 50.0 -66.2 -39.2 35.2 46.9 34.0 50 65 A E H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.853 113.3 49.0 -60.5 -36.1 32.4 48.9 35.8 51 66 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 112.4 45.4 -72.3 -46.3 33.0 51.5 33.0 52 67 A H H X S+ 0 0 15 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.922 111.9 54.2 -62.0 -39.6 32.8 48.9 30.2 53 68 A A H X S+ 0 0 3 -4,-2.9 4,-3.5 2,-0.2 -2,-0.2 0.913 108.0 48.4 -59.2 -48.9 29.7 47.4 31.9 54 69 A A H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.894 112.8 48.6 -54.8 -44.6 28.0 50.9 31.9 55 70 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.878 112.0 48.8 -66.1 -38.5 28.9 51.3 28.2 56 71 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.945 108.7 54.1 -64.8 -44.9 27.6 47.8 27.5 57 72 A D H >< S+ 0 0 13 -4,-3.5 3,-1.2 1,-0.2 4,-0.2 0.952 106.6 51.0 -51.8 -49.7 24.4 48.7 29.4 58 73 A A H >< S+ 0 0 41 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.916 108.5 52.1 -48.5 -49.9 23.9 51.7 27.2 59 74 A L H >< S+ 0 0 5 -4,-1.9 3,-1.0 1,-0.3 4,-0.4 0.686 97.4 68.6 -68.3 -16.8 24.3 49.6 24.0 60 75 A L T << S+ 0 0 3 -4,-1.2 -1,-0.3 -3,-1.2 -2,-0.2 0.413 76.4 81.0 -83.8 -2.9 21.7 47.1 25.3 61 76 A G T < S+ 0 0 36 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.671 85.9 62.7 -71.3 -18.0 18.9 49.7 24.9 62 77 A E S < S+ 0 0 128 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.2 0.921 80.7 101.2 -73.9 -42.8 19.0 48.7 21.2 63 78 A V S S- 0 0 8 -4,-0.4 2,-0.8 1,-0.1 16,-0.1 -0.070 79.2-114.3 -48.9 136.7 17.9 45.0 21.9 64 79 A D + 0 0 75 1,-0.1 18,-0.1 14,-0.1 -1,-0.1 -0.669 36.8 169.3 -81.6 103.4 14.2 44.1 21.3 65 80 A L S S+ 0 0 29 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.1 0.006 77.8 58.5 -99.6 24.0 12.4 43.1 24.5 66 81 A T S S- 0 0 120 1,-0.3 2,-0.2 9,-0.0 -1,-0.1 0.727 111.5 -86.5-112.6 -50.8 9.1 43.2 22.6 67 82 A G 0 0 37 1,-0.1 -1,-0.3 11,-0.1 -2,-0.0 -0.856 360.0 360.0 148.2 172.0 9.5 40.6 19.7 68 83 A A 0 0 132 -2,-0.2 -1,-0.1 -4,-0.0 7,-0.0 0.538 360.0 360.0-119.6 360.0 10.8 40.1 16.1 69 ! 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 70 87 A E 0 0 186 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 103.1 3.3 34.3 21.1 71 88 A D >> - 0 0 78 1,-0.1 4,-1.3 0, 0.0 3,-0.6 -0.793 360.0-129.1-160.4 162.3 5.3 31.6 22.7 72 89 A W H 3> S+ 0 0 41 1,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.638 92.2 51.2 -71.0 -37.2 8.1 31.6 25.1 73 90 A R H 3> S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.891 113.5 44.9 -71.9 -43.4 11.0 29.4 23.9 74 91 A E H <> S+ 0 0 148 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.857 115.8 46.9 -66.4 -38.9 11.2 30.9 20.4 75 92 A Q H X S+ 0 0 33 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.890 110.4 54.1 -72.5 -42.8 10.9 34.5 21.8 76 93 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.948 107.6 50.7 -46.3 -53.5 13.6 33.6 24.5 77 94 A R H X S+ 0 0 42 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 108.6 52.9 -57.7 -42.5 15.8 32.5 21.7 78 95 A A H X S+ 0 0 38 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.947 110.3 45.3 -60.6 -46.3 15.2 35.8 19.9 79 96 A V H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.953 112.7 50.8 -63.5 -38.1 16.2 38.0 22.8 80 97 A L H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.867 109.5 52.7 -69.2 -32.5 19.3 36.0 23.6 81 98 A T H X S+ 0 0 67 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.922 109.6 46.0 -64.9 -47.0 20.3 36.2 20.0 82 99 A S H X S+ 0 0 20 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.918 112.1 51.7 -70.0 -36.8 20.1 40.0 19.9 83 100 A Y H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 3,-0.4 0.972 112.6 47.3 -52.1 -51.7 21.9 40.2 23.2 84 101 A T H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.862 106.8 56.3 -58.8 -41.9 24.6 38.0 21.6 85 102 A L H X S+ 0 0 110 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.857 106.2 50.6 -64.4 -34.7 24.7 40.1 18.4 86 103 A V H X S+ 0 0 6 -4,-1.9 4,-1.1 -3,-0.4 3,-0.2 0.948 111.8 48.4 -66.4 -39.2 25.5 43.2 20.4 87 104 A L H < S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 7,-0.4 0.889 106.7 55.1 -63.2 -40.5 28.3 41.3 22.2 88 105 A F H < S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.832 106.7 52.3 -64.2 -32.4 29.7 40.0 18.9 89 106 A A H < S+ 0 0 67 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.786 123.2 29.9 -67.5 -28.6 29.9 43.7 17.7 90 107 A H >X + 0 0 40 -4,-1.1 3,-2.0 -3,-0.5 4,-1.4 -0.500 68.3 168.9-132.7 66.6 31.9 44.5 20.9 91 108 A P H 3> S+ 0 0 9 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.807 78.4 58.7 -58.1 -31.7 33.9 41.4 22.1 92 109 A Q H 3> S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.829 102.7 54.6 -64.1 -30.0 35.9 43.3 24.7 93 110 A L H <> S+ 0 0 2 -3,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.902 107.9 48.7 -67.3 -41.4 32.6 44.2 26.3 94 111 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 -7,-0.4 -2,-0.2 0.954 111.9 51.3 -54.5 -48.0 31.7 40.5 26.5 95 112 A R H X S+ 0 0 91 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.908 114.5 41.3 -59.2 -43.0 35.2 39.9 28.0 96 113 A S H >X S+ 0 0 9 -4,-2.3 4,-3.1 1,-0.2 3,-0.7 0.845 103.6 67.1 -75.0 -32.1 34.6 42.6 30.6 97 114 A A H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 97.1 56.3 -59.4 -26.8 31.0 41.5 31.3 98 115 A L H 3< S+ 0 0 85 -4,-1.5 -1,-0.2 -3,-0.3 3,-0.2 0.862 110.7 43.8 -71.5 -30.2 32.5 38.3 32.8 99 116 A V H << S+ 0 0 116 -3,-0.7 2,-0.4 -4,-0.7 -2,-0.2 0.930 137.7 2.7 -77.0 -48.5 34.5 40.4 35.2 100 117 A A S < S- 0 0 16 -4,-3.1 -1,-0.3 -51,-0.2 -2,-0.1 -0.958 75.8-141.8-141.4 120.4 31.6 42.8 36.0 101 118 A R - 0 0 132 -2,-0.4 -48,-0.1 -3,-0.2 -47,-0.1 -0.544 33.7 -94.3 -73.8 150.3 28.1 42.4 34.7 102 119 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 -0.081 34.8-175.2 -52.5 158.4 26.1 45.5 33.7 103 120 A S + 0 0 70 -53,-0.1 -49,-0.1 -3,-0.1 2,-0.0 0.142 42.5 108.8-144.7 16.4 23.8 46.8 36.3 104 121 A G S > S- 0 0 20 -51,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.217 84.3 -84.3 -94.7-169.9 21.9 49.6 34.6 105 122 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.830 123.4 52.6 -62.8 -38.2 18.3 49.9 33.5 106 123 A N H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.825 111.6 46.2 -68.8 -32.2 18.7 48.2 30.1 107 124 A Y H > S+ 0 0 9 -3,-0.5 4,-3.4 2,-0.2 5,-0.2 0.924 110.9 51.7 -79.0 -47.2 20.3 45.1 31.7 108 125 A L H X S+ 0 0 90 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.832 111.8 49.4 -54.2 -34.1 17.7 44.9 34.4 109 126 A R H X S+ 0 0 99 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.865 110.0 49.8 -72.1 -43.5 15.2 45.1 31.6 110 127 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.948 114.0 45.9 -53.3 -52.9 16.9 42.3 29.6 111 128 A V H X S+ 0 0 37 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.920 110.0 52.9 -61.6 -41.8 17.0 40.2 32.8 112 129 A E H X S+ 0 0 124 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.918 113.9 44.5 -56.4 -47.1 13.3 40.9 33.6 113 130 A R H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.820 111.6 49.9 -68.1 -37.9 12.3 39.8 30.2 114 131 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.926 113.3 48.9 -70.0 -38.8 14.5 36.7 30.0 115 132 A L H X S+ 0 0 53 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.894 109.2 51.8 -65.4 -42.2 13.1 35.7 33.3 116 133 A E H X S+ 0 0 75 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.915 115.0 41.7 -56.9 -53.6 9.5 36.3 32.2 117 134 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.5 0.943 114.3 49.8 -62.5 -52.4 9.8 34.1 29.1 118 135 A L H >< S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.3 5,-0.4 0.877 103.9 61.2 -57.6 -37.1 11.8 31.4 30.7 119 136 A A H >< S+ 0 0 48 -4,-2.2 3,-1.9 1,-0.2 -1,-0.3 0.770 89.2 70.3 -60.9 -25.8 9.3 31.2 33.5 120 137 A R T << S+ 0 0 96 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.691 78.8 79.2 -67.7 -21.1 6.5 30.2 31.0 121 138 A S T < S- 0 0 33 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.685 105.7-126.6 -56.5 -20.5 8.2 26.9 30.6 122 139 A G < + 0 0 65 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.217 60.2 145.4 86.3 -13.2 6.5 26.0 33.9 123 140 A A - 0 0 16 -5,-0.4 -1,-0.3 1,-0.1 5,-0.1 -0.137 61.2 -83.7 -56.7 150.4 9.8 25.0 35.5 124 141 A P > - 0 0 78 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.125 39.9-111.5 -55.1 156.8 10.2 25.7 39.2 125 142 A G H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.810 113.8 59.2 -67.9 -31.7 11.4 29.2 40.1 126 143 A A H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.913 108.1 47.7 -61.6 -38.5 14.8 28.2 41.4 127 144 A Q H > S+ 0 0 15 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.817 111.8 48.2 -74.2 -34.9 15.6 26.8 37.9 128 145 A V H X S+ 0 0 12 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.907 113.1 49.4 -72.3 -32.4 14.4 29.8 36.1 129 146 A A H X S+ 0 0 46 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.937 119.2 35.4 -69.3 -52.5 16.4 32.1 38.4 130 147 A W H X S+ 0 0 146 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.806 114.9 62.4 -71.1 -26.8 19.7 30.1 38.1 131 148 A G H X S+ 0 0 2 -4,-1.5 4,-2.8 -5,-0.3 5,-0.2 0.882 96.9 51.2 -68.3 -43.2 18.9 29.4 34.5 132 149 A V H X S+ 0 0 3 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.900 108.2 54.6 -67.0 -38.0 18.8 33.0 33.1 133 150 A D H X S+ 0 0 62 -4,-0.9 4,-3.3 2,-0.2 5,-0.2 0.943 111.8 46.0 -49.4 -48.3 22.3 33.6 34.7 134 151 A K H X S+ 0 0 87 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.893 111.3 50.0 -66.4 -43.9 23.5 30.5 32.7 135 152 A L H X S+ 0 0 5 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.876 116.2 43.4 -61.3 -35.8 21.8 31.6 29.5 136 153 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.946 113.6 49.3 -74.7 -48.2 23.4 35.0 29.8 137 154 A Q H X S+ 0 0 123 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.851 109.4 54.7 -57.1 -36.5 26.8 33.8 30.8 138 155 A D H X S+ 0 0 41 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.912 110.1 43.5 -67.0 -45.5 26.8 31.3 27.9 139 156 A A H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.936 116.1 49.7 -65.6 -42.1 26.2 34.0 25.2 140 157 A T H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.895 109.9 49.4 -62.6 -46.8 28.7 36.3 26.9 141 158 A A H X S+ 0 0 41 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.915 112.9 48.5 -60.2 -40.6 31.4 33.5 27.1 142 159 A T H < S+ 0 0 24 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.849 111.7 47.4 -69.4 -38.1 30.8 32.7 23.4 143 160 A A H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.855 104.0 64.1 -68.3 -34.6 31.0 36.4 22.3 144 161 A A H 3< S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.797 96.9 56.9 -51.5 -36.6 34.2 36.7 24.4 145 162 A E T 3< S+ 0 0 161 -4,-0.9 -1,-0.3 -3,-0.2 2,-0.2 0.442 86.2 104.6 -76.7 -8.5 35.9 34.2 22.1 146 163 A Q S < S- 0 0 51 -3,-1.8 2,-0.2 1,-0.1 -3,-0.0 -0.548 87.8 -91.4 -77.9 144.9 35.2 36.4 19.0 147 164 A A 0 0 96 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.363 360.0 360.0 -58.6 121.5 38.1 38.4 17.5 148 165 A T 0 0 123 -2,-0.2 -1,-0.1 -4,-0.1 -56,-0.1 0.957 360.0 360.0 -63.9 360.0 38.4 41.9 19.1 149 ! 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 0.0 150 177 A S > 0 0 92 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 154.9 43.5 28.4 15.9 151 178 A A H > + 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 360.0 53.1 -67.0 -37.7 46.4 26.6 17.6 152 179 A T H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 108.9 49.1 -60.9 -42.8 44.0 24.4 19.5 153 180 A V H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 112.5 47.7 -67.5 -42.2 42.2 23.4 16.2 154 181 A R H X S+ 0 0 150 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.934 111.3 50.4 -60.4 -48.1 45.5 22.5 14.6 155 182 A A H X S+ 0 0 63 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.804 110.9 49.7 -62.6 -32.9 46.7 20.5 17.6 156 183 A L H >< S+ 0 0 42 -4,-1.8 3,-0.5 2,-0.2 -1,-0.2 0.927 109.4 50.1 -72.7 -48.0 43.4 18.5 17.6 157 184 A R H 3< S+ 0 0 156 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.785 116.6 44.3 -54.9 -28.1 43.7 17.8 13.8 158 185 A D H 3< S+ 0 0 117 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.544 80.7 119.0 -98.8 -17.5 47.3 16.5 14.5 159 186 A A S << S- 0 0 30 -4,-1.0 2,-0.5 -3,-0.5 -3,-0.0 -0.282 73.5-110.9 -46.7 137.8 46.7 14.5 17.7 160 187 A D >> - 0 0 107 1,-0.1 4,-2.7 7,-0.0 3,-0.8 -0.722 8.5-138.0 -86.3 122.7 47.6 10.9 16.9 161 188 A E T 34 S+ 0 0 138 -2,-0.5 -1,-0.1 1,-0.2 7,-0.1 0.808 107.0 55.6 -36.8 -38.8 44.8 8.3 16.6 162 189 A A T 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.923 118.1 28.8 -64.4 -48.9 47.2 6.0 18.6 163 190 A T T <4 S+ 0 0 92 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.601 133.6 30.6 -91.1 -22.7 47.8 8.4 21.6 164 191 A H X + 0 0 90 -4,-2.7 4,-2.1 1,-0.1 -1,-0.2 -0.581 65.7 158.2-139.7 66.4 44.4 10.3 21.6 165 192 A P H > S+ 0 0 73 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.882 74.4 56.2 -68.6 -35.3 41.8 7.8 20.2 166 193 A A H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.947 110.1 48.1 -61.6 -41.7 38.8 9.7 21.8 167 194 A I H >> S+ 0 0 43 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.945 113.5 45.3 -62.1 -47.1 39.9 12.9 20.0 168 195 A A H >< S+ 0 0 37 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.925 109.1 57.1 -62.5 -44.9 40.3 11.0 16.7 169 196 A S H 3< S+ 0 0 92 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 111.7 43.1 -49.5 -33.9 37.0 9.3 17.2 170 197 A H H > S+ 0 0 84 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.983 124.5 50.8 -82.1 -14.4 35.8 16.5 12.4 173 200 A L T 34 S+ 0 0 140 1,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.778 95.5 70.6 -64.3 -28.0 32.8 17.4 14.6 174 201 A L T 3< S+ 0 0 75 -4,-2.2 -1,-0.3 1,-0.2 -3,-0.1 0.852 117.3 24.3 -56.7 -31.6 35.0 18.3 17.7 175 202 A V T <4 S+ 0 0 31 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.378 106.4 107.1-114.9 4.8 36.1 21.4 15.6 176 203 A A < + 0 0 39 -4,-0.8 -3,-0.0 -3,-0.3 6,-0.0 -0.388 45.2 53.1 -87.2 161.7 33.1 21.8 13.2 177 204 A G S S- 0 0 53 -2,-0.1 2,-0.0 4,-0.1 0, 0.0 0.280 73.8 -86.2 98.3 144.5 30.2 24.3 13.0 178 205 A S > - 0 0 53 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.274 41.3-110.4 -66.4 159.3 29.7 28.1 12.8 179 206 A A H > S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.803 125.7 54.6 -61.4 -29.9 29.6 30.1 16.0 180 207 A H H > S+ 0 0 117 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.846 106.6 48.6 -63.4 -46.1 25.9 30.4 15.0 181 208 A D H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.947 113.2 47.6 -62.4 -46.2 25.5 26.6 14.8 182 209 A R H X S+ 0 0 119 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.842 112.8 48.3 -66.7 -36.6 27.1 26.2 18.2 183 210 A L H X S+ 0 0 32 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.824 108.1 53.9 -75.0 -33.9 24.9 28.9 19.7 184 211 A R H X S+ 0 0 124 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.963 114.5 44.5 -61.2 -47.1 21.7 27.4 18.2 185 212 A W H X S+ 0 0 177 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.930 111.1 48.8 -64.0 -49.5 22.7 24.1 19.8 186 213 A S H X S+ 0 0 19 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.860 104.6 60.2 -70.9 -23.9 23.8 25.4 23.3 187 214 A F H X S+ 0 0 12 -4,-1.5 4,-3.5 2,-0.2 5,-0.3 0.987 111.6 40.3 -54.2 -55.4 20.6 27.4 23.7 188 215 A D H X S+ 0 0 41 -4,-1.5 4,-2.6 2,-0.2 5,-0.4 0.936 114.7 52.8 -58.5 -43.7 18.6 24.1 23.3 189 216 A V H X S+ 0 0 61 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.932 114.4 42.3 -57.4 -46.0 21.1 22.2 25.5 190 217 A L H X S+ 0 0 39 -4,-3.2 4,-3.6 -5,-0.2 5,-0.3 0.938 115.1 47.4 -71.6 -46.5 20.8 24.8 28.2 191 218 A V H X S+ 0 0 0 -4,-3.5 4,-3.0 -5,-0.3 5,-0.3 0.978 114.2 48.5 -59.0 -47.5 17.0 25.2 28.0 192 219 A N H X S+ 0 0 58 -4,-2.6 4,-1.3 -5,-0.3 -2,-0.2 0.950 117.6 41.6 -56.4 -48.1 16.5 21.4 28.1 193 220 A G H X S+ 0 0 25 -4,-2.5 4,-1.3 -5,-0.4 -1,-0.2 0.909 113.0 51.5 -68.8 -42.5 18.9 21.1 31.0 194 221 A I H >< S+ 0 0 19 -4,-3.6 3,-0.6 1,-0.2 -2,-0.2 0.962 110.9 48.2 -57.5 -47.6 17.6 24.1 32.9 195 222 A T H 3< S+ 0 0 39 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.821 118.8 40.5 -67.2 -24.8 13.9 22.9 32.8 196 223 A R H 3< S+ 0 0 176 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.571 97.4 80.1-104.4 -2.2 14.8 19.4 33.8 197 224 A T << - 0 0 83 -4,-1.3 -1,-0.1 -3,-0.6 2,-0.0 -0.874 68.6-141.0-114.3 110.7 17.4 19.8 36.5 198 225 A P - 0 0 90 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.331 19.6-120.1 -60.1 142.8 16.3 20.7 40.1 199 226 A V - 0 0 43 1,-0.0 -73,-0.1 -2,-0.0 -72,-0.1 -0.804 31.7-138.0 -85.0 118.0 18.4 23.1 42.1 200 227 A P - 0 0 103 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.145 21.1-100.0 -68.3 169.6 19.7 21.4 45.2 201 228 A G - 0 0 61 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.305 67.5 -41.5 -75.7 176.0 19.7 22.9 48.6 202 229 A P 0 0 139 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.013 360.0 360.0 -34.1 132.1 22.9 24.5 50.3 203 230 A A 0 0 157 -3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.110 360.0 360.0 -40.9 360.0 26.3 22.6 49.9