==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 25-OCT-00 1G3S . COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR E.POHL,J.GORANSON-SIEKIERKE,R.K.HOLMES,W.G.J.HOL . 212 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 68.9 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 . 28 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.9 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-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 . 12 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.8 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 2 0 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 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 . 2 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 4 A L 0 0 96 0, 0.0 2,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -73.2 16.9 19.6 2.0 2 5 A V + 0 0 94 4,-0.1 2,-0.3 102,-0.0 102,-0.1 -0.369 360.0 175.9 -61.2 83.9 13.8 21.4 3.3 3 6 A D > - 0 0 64 -2,-1.9 4,-1.8 1,-0.1 5,-0.1 -0.735 49.6-136.5-117.9 158.3 13.1 18.9 6.0 4 7 A T H > S+ 0 0 60 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.882 104.3 54.5 -56.0 -53.1 10.9 18.0 8.9 5 8 A T H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 109.9 48.9 -53.8 -44.4 13.6 16.8 11.3 6 9 A E H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 112.7 48.2 -61.6 -43.8 15.4 20.2 10.9 7 10 A M H X S+ 0 0 59 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.874 113.3 46.8 -63.7 -42.8 12.1 22.0 11.5 8 11 A Y H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.914 111.6 50.5 -66.7 -44.1 11.3 20.0 14.6 9 12 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.871 110.2 50.4 -62.2 -39.3 14.8 20.4 16.1 10 13 A R H X S+ 0 0 19 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.891 109.8 51.1 -65.7 -40.7 14.6 24.1 15.5 11 14 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.917 110.5 47.7 -62.3 -46.2 11.2 24.2 17.3 12 15 A I H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.939 111.6 52.0 -59.4 -46.7 12.5 22.3 20.3 13 16 A Y H X S+ 0 0 37 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.924 110.5 48.7 -55.6 -46.6 15.5 24.6 20.3 14 17 A E H X S+ 0 0 17 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.920 112.1 45.8 -60.5 -52.6 13.2 27.7 20.3 15 18 A L H <>S+ 0 0 0 -4,-2.4 5,-3.2 2,-0.2 4,-0.3 0.940 114.4 48.8 -56.2 -50.5 10.9 26.5 23.1 16 19 A E H ><5S+ 0 0 67 -4,-2.8 3,-2.2 -5,-0.2 -2,-0.2 0.975 112.0 50.9 -52.1 -50.7 13.9 25.5 25.1 17 20 A E H 3<5S+ 0 0 62 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.851 109.9 47.6 -54.7 -45.2 15.3 29.0 24.3 18 21 A E T 3<5S- 0 0 102 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.305 121.9-108.4 -80.7 5.4 12.1 30.7 25.5 19 22 A G T < 5S+ 0 0 68 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.671 73.3 141.3 76.8 16.5 12.2 28.6 28.6 20 23 A V < - 0 0 30 -5,-3.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.733 59.3-111.9 -92.2 143.1 9.2 26.5 27.6 21 24 A T - 0 0 72 -2,-0.3 2,-1.8 -3,-0.1 5,-0.1 -0.587 32.5-121.3 -73.2 122.7 9.3 22.7 28.4 22 25 A P + 0 0 16 0, 0.0 37,-3.0 0, 0.0 2,-0.3 -0.532 48.4 164.6 -71.6 86.1 9.5 21.0 25.0 23 26 A L B > -A 58 0A 65 -2,-1.8 4,-1.6 35,-0.2 3,-0.4 -0.798 46.7-118.1-101.2 149.0 6.3 18.9 25.2 24 27 A R H > S+ 0 0 97 33,-0.7 4,-2.8 -2,-0.3 5,-0.2 0.860 112.3 53.9 -55.9 -40.4 4.9 17.3 22.1 25 28 A A H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 107.3 52.0 -62.1 -38.8 1.6 19.2 22.2 26 29 A R H > S+ 0 0 93 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.862 113.0 45.4 -62.6 -42.5 3.5 22.5 22.3 27 30 A I H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.909 111.8 50.5 -68.2 -45.9 5.5 21.4 19.2 28 31 A A H X>S+ 0 0 9 -4,-2.8 5,-2.2 2,-0.2 4,-0.7 0.899 112.1 49.6 -60.1 -42.2 2.4 20.1 17.4 29 32 A E H ><5S+ 0 0 135 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.987 114.2 42.0 -58.5 -61.8 0.7 23.4 18.1 30 33 A R H 3<5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.881 120.4 42.1 -54.4 -47.2 3.6 25.7 16.9 31 34 A L H 3<5S- 0 0 28 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.552 106.5-132.2 -77.6 -10.3 4.3 23.5 13.8 32 35 A E T <<5 + 0 0 172 -3,-1.0 2,-0.3 -4,-0.7 -3,-0.2 0.941 60.6 132.9 52.9 56.7 0.6 23.2 13.2 33 36 A Q < - 0 0 74 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.923 63.3 -96.0-129.6 149.5 0.7 19.5 12.7 34 37 A S > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.252 32.2-112.4 -66.2 159.6 -1.6 17.0 14.4 35 38 A G H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.842 117.6 53.8 -60.1 -36.9 -0.6 15.3 17.6 36 39 A P H > S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.811 107.3 50.9 -66.8 -33.8 -0.4 11.9 15.8 37 40 A T H > S+ 0 0 48 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.911 112.4 45.5 -71.1 -43.4 1.9 13.3 13.1 38 41 A V H X S+ 0 0 2 -4,-2.1 4,-3.4 2,-0.2 5,-0.4 0.935 109.2 56.6 -67.9 -40.7 4.3 14.7 15.7 39 42 A S H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 112.1 42.2 -55.6 -43.3 4.2 11.5 17.7 40 43 A Q H X S+ 0 0 130 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.835 114.3 49.4 -76.5 -28.2 5.3 9.6 14.7 41 44 A T H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 3,-0.5 0.933 114.3 45.6 -73.6 -41.3 7.9 12.1 13.6 42 45 A V H X S+ 0 0 4 -4,-3.4 4,-2.0 1,-0.2 5,-0.2 0.934 107.0 61.3 -65.1 -39.9 9.3 12.2 17.2 43 46 A A H X S+ 0 0 35 -4,-2.5 4,-0.6 -5,-0.4 -1,-0.2 0.804 111.0 37.9 -57.4 -33.3 9.1 8.4 17.2 44 47 A R H X S+ 0 0 84 -4,-1.1 4,-0.9 -3,-0.5 -1,-0.3 0.733 110.0 58.9 -93.1 -19.0 11.5 8.2 14.3 45 48 A M H <>S+ 0 0 1 -4,-1.8 5,-2.6 1,-0.2 6,-0.9 0.796 104.4 55.4 -74.2 -24.0 13.8 11.1 15.4 46 49 A E H ><5S+ 0 0 77 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.828 105.0 51.2 -74.7 -32.4 14.2 9.0 18.5 47 50 A R H 3<5S+ 0 0 204 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.688 105.7 54.5 -77.6 -20.5 15.4 6.1 16.4 48 51 A D T 3<5S- 0 0 102 -4,-0.9 -1,-0.2 3,-0.1 -2,-0.2 0.459 117.2-116.2 -88.1 -3.8 17.9 8.3 14.6 49 52 A G T < 5S+ 0 0 34 -3,-0.6 16,-0.4 2,-0.2 15,-0.3 0.758 83.8 117.4 74.7 29.6 19.3 9.2 18.0 50 53 A L S - 0 0 11 4,-3.4 3,-2.7 -2,-0.9 4,-0.1 -0.189 28.3 -95.2 -62.7 162.5 12.2 12.0 28.9 55 58 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.818 127.0 56.3 -46.8 -39.8 10.2 10.3 31.7 56 59 A D T 3 S- 0 0 98 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.324 122.7-107.8 -79.4 9.9 8.0 13.4 32.1 57 60 A R S < S+ 0 0 34 -3,-2.7 -33,-0.7 1,-0.3 2,-0.3 0.711 78.4 134.3 68.9 23.0 7.2 13.1 28.3 58 61 A S B -A 23 0A 12 -35,-0.1 -4,-3.4 -4,-0.1 2,-0.7 -0.774 61.5-110.8 -99.1 151.4 9.4 16.1 27.5 59 62 A L E -B 53 0B 2 -37,-3.0 2,-0.6 -2,-0.3 -6,-0.2 -0.726 28.2-167.0 -89.9 111.7 11.8 15.9 24.6 60 63 A Q E -B 52 0B 119 -8,-3.0 -8,-1.6 -2,-0.7 2,-0.2 -0.867 18.7-136.0 -96.8 119.2 15.5 15.9 25.5 61 64 A M E -B 51 0B 16 -2,-0.6 -10,-0.3 -10,-0.2 -11,-0.1 -0.511 16.7-130.9 -74.7 136.2 17.8 16.5 22.5 62 65 A T > - 0 0 33 -12,-1.2 4,-2.9 -2,-0.2 5,-0.2 -0.327 34.0 -97.0 -76.3 167.5 20.8 14.2 22.4 63 66 A P H > S+ 0 0 109 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.926 128.9 46.5 -54.3 -40.5 24.2 15.8 21.8 64 67 A T H > S+ 0 0 95 -15,-0.3 4,-1.8 2,-0.2 5,-0.2 0.886 110.8 50.9 -65.9 -43.7 23.9 15.0 18.1 65 68 A G H > S+ 0 0 0 -16,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.922 111.0 50.0 -60.7 -40.4 20.3 16.3 17.9 66 69 A R H X S+ 0 0 85 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.827 107.1 52.7 -67.6 -35.9 21.5 19.5 19.6 67 70 A T H X S+ 0 0 76 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.902 111.7 46.6 -65.9 -40.8 24.3 20.1 17.2 68 71 A L H X S+ 0 0 59 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.937 110.7 51.8 -67.1 -45.7 22.0 19.8 14.3 69 72 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 108.5 53.2 -56.6 -42.9 19.4 22.1 15.9 70 73 A T H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.860 107.7 49.1 -62.2 -38.7 22.2 24.7 16.4 71 74 A A H X S+ 0 0 18 -4,-1.6 4,-2.6 -3,-0.2 5,-0.2 0.936 110.9 51.1 -68.7 -42.2 23.3 24.6 12.8 72 75 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.916 112.7 45.1 -60.4 -45.9 19.7 25.1 11.7 73 76 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.879 111.4 52.1 -67.7 -36.9 19.2 28.1 14.0 74 77 A R H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.971 113.7 44.4 -62.4 -50.0 22.5 29.7 13.0 75 78 A K H X S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.904 113.4 50.7 -57.7 -49.4 21.5 29.3 9.3 76 79 A H H X S+ 0 0 3 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.932 114.9 43.1 -54.9 -48.2 17.9 30.6 10.0 77 80 A R H X S+ 0 0 10 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.756 111.8 51.4 -72.5 -29.4 19.3 33.6 11.9 78 81 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.785 109.0 54.3 -75.0 -29.3 22.0 34.5 9.4 79 82 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.939 107.0 50.3 -67.2 -47.0 19.3 34.3 6.8 80 83 A E H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.946 110.3 49.4 -56.8 -48.0 17.3 36.9 8.8 81 84 A R H X>S+ 0 0 36 -4,-2.0 4,-2.3 1,-0.2 5,-0.6 0.925 112.5 47.9 -56.9 -47.2 20.3 39.2 9.0 82 85 A L H X>S+ 0 0 28 -4,-2.2 5,-2.5 1,-0.2 4,-1.3 0.929 111.7 50.6 -59.7 -45.4 20.9 38.9 5.3 83 86 A L H <>S+ 0 0 3 -4,-3.0 6,-2.7 3,-0.2 5,-0.7 0.822 120.0 33.1 -65.1 -33.7 17.2 39.5 4.5 84 87 A T H <5S+ 0 0 30 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.933 125.9 35.0 -88.2 -52.0 17.0 42.7 6.6 85 88 A D H <5S+ 0 0 78 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.889 134.0 18.9 -69.0 -46.9 20.4 44.3 6.4 86 89 A I T <> - 0 0 65 1,-0.2 3,-3.1 2,-0.1 4,-1.4 -0.254 34.1-127.2 -49.4 128.6 9.9 43.9 5.0 91 94 A I T 34 S+ 0 0 82 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.718 108.0 63.3 -53.8 -21.1 10.4 43.0 8.7 92 95 A N T 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.696 109.8 37.2 -81.0 -14.8 7.0 41.4 8.7 93 96 A K T <> S+ 0 0 112 -3,-3.1 4,-1.6 2,-0.1 3,-0.4 0.659 91.3 90.7-107.1 -20.5 8.1 38.8 6.2 94 97 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.822 85.1 49.9 -45.1 -49.4 11.6 38.1 7.3 95 98 A H H > S+ 0 0 68 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.902 111.8 45.9 -63.1 -43.9 10.9 35.2 9.7 96 99 A D H 4 S+ 0 0 116 -3,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.787 114.3 49.4 -72.7 -21.7 8.7 33.2 7.4 97 100 A E H >X S+ 0 0 50 -4,-1.6 4,-1.7 1,-0.2 3,-1.2 0.900 110.5 50.1 -80.0 -40.9 11.2 33.7 4.5 98 101 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.3 -2,-0.2 0.782 99.6 66.8 -67.9 -26.7 14.1 32.6 6.7 99 102 A S H 3< S+ 0 0 22 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.729 107.9 38.7 -67.6 -20.2 12.2 29.6 7.8 100 103 A R H X4 S+ 0 0 143 -3,-1.2 3,-1.0 -4,-0.3 4,-0.3 0.795 112.6 55.1 -95.6 -35.2 12.5 28.2 4.3 101 104 A W H >X S+ 0 0 71 -4,-1.7 3,-1.5 1,-0.2 4,-1.4 0.761 91.2 74.5 -68.5 -28.5 16.0 29.3 3.5 102 105 A E T 3< S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.3 -26,-0.1 0.715 94.7 52.2 -59.7 -23.0 17.4 27.6 6.6 103 106 A H T <4 S+ 0 0 13 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.574 115.9 36.9 -90.3 -11.9 17.0 24.2 4.9 104 107 A V T <4 S+ 0 0 94 -3,-1.5 2,-0.5 -4,-0.3 -2,-0.2 0.491 86.0 107.0-118.4 -7.4 18.9 25.1 1.7 105 108 A M < - 0 0 18 -4,-1.4 2,-0.1 1,-0.0 -30,-0.1 -0.632 60.9-141.5 -79.3 122.9 21.7 27.4 2.9 106 109 A S > - 0 0 40 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.393 19.7-115.8 -82.2 161.6 25.1 25.7 2.8 107 110 A D H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.889 117.2 58.2 -60.3 -39.6 27.9 26.0 5.3 108 111 A E H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.914 106.3 47.7 -59.5 -43.5 30.1 27.7 2.7 109 112 A V H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 108.6 54.8 -65.1 -41.5 27.4 30.4 2.2 110 113 A E H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.885 105.7 52.2 -57.9 -43.6 27.2 31.0 6.0 111 114 A R H X S+ 0 0 69 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.901 110.7 47.8 -60.1 -43.2 30.9 31.6 6.2 112 115 A R H X S+ 0 0 135 -4,-1.6 4,-2.3 2,-0.2 3,-0.4 0.891 111.5 50.7 -64.7 -38.8 30.7 34.1 3.5 113 116 A L H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 3,-0.5 0.977 104.3 56.0 -63.1 -50.7 27.8 35.8 5.2 114 117 A V H < S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.774 113.3 44.5 -51.5 -25.1 29.6 35.9 8.4 115 118 A K H < S+ 0 0 132 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.800 116.8 41.8 -89.8 -37.7 32.3 37.9 6.5 116 119 A V H < S+ 0 0 78 -4,-2.3 2,-0.3 -3,-0.5 -2,-0.2 0.701 98.2 84.5 -86.1 -21.3 30.0 40.2 4.5 117 120 A L S < S- 0 0 12 -4,-2.9 3,-0.2 -5,-0.2 -35,-0.1 -0.631 71.2-139.9 -85.7 142.2 27.6 41.1 7.3 118 121 A K S S+ 0 0 109 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.902 87.0 18.0 -64.3 -44.2 28.4 43.9 9.8 119 122 A D + 0 0 77 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 -0.959 49.5 165.8-141.3 127.3 27.0 42.1 12.8 120 123 A V + 0 0 21 -2,-0.4 9,-0.3 -3,-0.2 3,-0.1 0.047 56.5 97.5-120.7 21.7 26.2 38.5 13.4 121 124 A S S S+ 0 0 61 1,-0.2 8,-2.0 7,-0.1 2,-0.3 0.894 92.7 16.0 -79.3 -34.5 25.8 38.4 17.1 122 125 A R B S-C 128 0C 130 6,-0.3 -1,-0.2 -3,-0.1 -3,-0.1 -0.929 72.9-119.6-135.8 159.3 22.0 38.7 17.1 123 126 A S > - 0 0 4 4,-3.2 3,-2.3 -2,-0.3 -45,-0.1 -0.514 44.3-101.2 -87.9 164.8 19.1 38.2 14.7 124 127 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -47,-0.0 0.685 121.4 65.2 -64.4 -8.5 17.0 41.3 14.1 125 128 A F T 3 S- 0 0 88 2,-0.2 -45,-0.0 -30,-0.0 -30,-0.0 0.325 121.1-101.5 -96.1 10.1 14.5 39.7 16.5 126 129 A G S < S+ 0 0 39 -3,-2.3 -1,-0.0 1,-0.3 0, 0.0 0.319 81.6 119.5 96.7 -11.3 16.8 40.0 19.5 127 130 A N - 0 0 65 1,-0.1 -4,-3.2 -50,-0.0 -1,-0.3 -0.633 65.2-108.2 -94.3 147.6 18.1 36.5 19.9 128 131 A P B -C 122 0C 62 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.377 27.6-118.7 -70.5 150.6 21.7 35.5 19.6 129 132 A I - 0 0 9 -8,-2.0 3,-0.5 -9,-0.3 -55,-0.1 -0.841 37.1-144.6 -91.2 112.9 23.0 33.6 16.6 130 133 A P + 0 0 19 0, 0.0 -53,-0.1 0, 0.0 -8,-0.0 -0.367 65.8 24.4 -81.1 158.2 24.3 30.2 17.9 131 134 A G > + 0 0 9 -2,-0.1 3,-1.0 1,-0.1 4,-0.3 0.683 62.2 141.2 69.7 23.6 27.2 28.1 16.7 132 135 A L G > + 0 0 26 -3,-0.5 3,-2.4 1,-0.3 5,-0.5 0.881 68.7 67.7 -63.3 -30.6 29.3 30.8 15.1 133 136 A D G > S+ 0 0 111 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.831 89.8 60.0 -53.8 -39.9 32.2 29.0 16.6 134 137 A E G < S+ 0 0 117 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.605 103.2 56.0 -67.4 -9.9 31.6 26.1 14.3 135 138 A L G < S- 0 0 14 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.063 127.0 -96.4-107.8 21.0 32.2 28.7 11.5 136 139 A G < 0 0 72 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.959 360.0 360.0 63.0 48.2 35.7 29.8 12.6 137 140 A V 0 0 91 -5,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 -0.903 360.0 360.0-140.8 360.0 34.2 32.8 14.5 138 ! 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 0.0 139 148 A P 0 0 81 0, 0.0 18,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 125.6 39.2 22.4 15.8 140 149 A G - 0 0 43 71,-0.1 2,-0.3 17,-0.1 73,-0.2 -0.227 360.0 -49.6 93.0 177.4 38.7 22.8 12.1 141 150 A T E -D 212 0D 51 71,-2.8 71,-2.8 -2,-0.1 2,-0.3 -0.715 54.0-119.9 -89.6 136.3 38.1 20.4 9.3 142 151 A R E >> -D 211 0D 68 -2,-0.3 4,-2.0 69,-0.2 3,-1.7 -0.641 26.8-121.4 -74.6 137.7 40.5 17.4 8.9 143 152 A V H 3> S+ 0 0 2 67,-2.5 4,-3.8 -2,-0.3 65,-0.2 0.846 108.0 66.1 -49.9 -39.8 42.2 17.7 5.5 144 153 A I H 34 S+ 0 0 53 63,-2.1 -1,-0.3 1,-0.2 64,-0.1 0.857 113.3 33.9 -53.9 -31.8 41.0 14.3 4.4 145 154 A D H <4 S+ 0 0 118 -3,-1.7 -1,-0.2 62,-0.2 -2,-0.2 0.809 124.0 43.3 -90.9 -34.6 37.4 15.7 4.4 146 155 A A H < S+ 0 0 42 -4,-2.0 2,-0.2 2,-0.1 -2,-0.2 0.829 89.7 98.8 -80.5 -33.9 38.3 19.2 3.4 147 156 A A < - 0 0 13 -4,-3.8 2,-0.2 -5,-0.2 40,-0.1 -0.379 54.0-171.5 -63.7 121.3 40.7 18.4 0.6 148 157 A T - 0 0 56 2,-0.4 40,-1.5 38,-0.3 4,-0.1 -0.688 40.1-102.5-110.8 163.3 39.2 18.6 -2.9 149 158 A S S S+ 0 0 90 38,-0.3 -2,-0.1 -2,-0.2 38,-0.0 0.642 109.7 65.4 -57.2 -17.5 40.6 17.5 -6.3 150 159 A M S S- 0 0 67 37,-0.0 -2,-0.4 1,-0.0 36,-0.1 -0.955 98.3-108.5-113.4 124.3 41.2 21.3 -7.0 151 160 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 36,-0.2 -0.064 37.2-179.9 -48.1 145.0 43.8 23.1 -4.9 152 161 A R - 0 0 65 34,-0.6 2,-0.6 -4,-0.1 34,-0.5 -0.873 29.5-124.9-154.9 113.7 42.5 25.6 -2.3 153 162 A K + 0 0 90 -2,-0.3 32,-0.2 32,-0.2 2,-0.2 -0.511 43.9 162.5 -65.4 110.2 44.6 27.7 -0.0 154 163 A V E -E 184 0D 18 30,-2.2 30,-2.9 -2,-0.6 2,-0.5 -0.616 37.8-105.8-116.9 178.3 43.4 27.0 3.5 155 164 A R E -EF 183 213D 39 58,-2.1 58,-1.4 28,-0.2 2,-0.3 -0.954 25.6-122.5-116.8 128.2 45.1 27.6 6.9 156 165 A I E + F 0 212D 4 26,-1.8 25,-2.8 -2,-0.5 56,-0.3 -0.520 30.9 174.6 -65.1 126.3 46.5 24.9 9.1 157 166 A V E + 0 0 46 54,-3.2 2,-0.3 1,-0.4 55,-0.2 0.782 65.4 1.8-101.0 -41.2 44.9 25.0 12.5 158 167 A Q E - F 0 211D 66 53,-1.5 53,-1.7 1,-0.1 -1,-0.4 -0.987 42.5-171.0-147.8 152.1 46.4 21.9 14.1 159 168 A I - 0 0 6 -2,-0.3 -1,-0.1 51,-0.2 50,-0.1 0.697 25.6-151.8-109.0 -38.6 48.9 19.2 13.2 160 169 A N > + 0 0 34 2,-0.1 3,-1.7 1,-0.1 4,-0.2 0.933 29.1 165.2 61.5 47.2 48.3 16.8 16.2 161 170 A E G > + 0 0 101 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.865 69.8 71.4 -57.6 -34.0 51.9 15.5 16.0 162 171 A I G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.700 97.8 46.8 -56.6 -22.4 51.0 14.2 19.5 163 172 A F G < S+ 0 0 136 -3,-1.7 2,-0.5 -4,-0.1 -1,-0.3 0.338 88.7 112.5-102.0 4.7 48.7 11.6 17.9 164 173 A Q < + 0 0 19 -3,-2.3 3,-0.0 -4,-0.2 -4,-0.0 -0.674 35.9 175.2 -87.5 124.6 51.2 10.5 15.3 165 174 A V S S+ 0 0 131 -2,-0.5 2,-0.6 1,-0.1 -1,-0.2 0.709 79.8 68.2 -88.8 -28.3 52.6 7.0 15.4 166 175 A E + 0 0 77 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.802 55.3 164.3 -93.0 121.2 54.3 8.0 12.1 167 176 A T > + 0 0 76 -2,-0.6 3,-1.6 1,-0.1 4,-0.4 0.356 46.1 103.2-118.8 4.8 56.9 10.7 12.6 168 177 A D T 3 S+ 0 0 108 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.744 83.0 48.0 -59.4 -28.7 58.7 10.3 9.3 169 178 A Q T 3> S+ 0 0 9 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.385 82.1 93.3 -97.5 3.4 57.0 13.4 7.9 170 179 A F H <> S+ 0 0 54 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.953 94.7 38.4 -59.2 -54.2 57.7 15.8 10.8 171 180 A T H > S+ 0 0 88 -4,-0.4 4,-3.6 2,-0.2 5,-0.3 0.855 111.1 61.7 -66.6 -30.0 60.9 17.2 9.3 172 181 A Q H > S+ 0 0 86 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.915 109.7 40.6 -60.5 -43.0 59.2 17.0 5.8 173 182 A L H <>S+ 0 0 10 -4,-2.3 5,-2.6 2,-0.2 4,-0.4 0.823 114.4 53.5 -72.5 -36.0 56.7 19.5 7.1 174 183 A L H ><5S+ 0 0 124 -4,-1.9 3,-0.8 2,-0.2 -2,-0.2 0.935 112.4 42.5 -65.5 -43.5 59.4 21.5 8.9 175 184 A D H 3<5S+ 0 0 132 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 114.1 53.3 -68.7 -35.1 61.4 21.8 5.7 176 185 A A T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.569 110.2-131.2 -73.6 -12.6 58.1 22.5 4.0 177 186 A D T < 5 + 0 0 100 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.935 52.8 151.0 60.5 49.5 57.6 25.2 6.6 178 187 A I < + 0 0 11 -5,-2.6 2,-0.2 17,-0.1 -1,-0.2 -0.961 10.5 130.2-117.7 123.0 54.1 24.1 7.4 179 188 A R > - 0 0 48 -2,-0.5 3,-2.1 -23,-0.1 2,-0.6 -0.782 63.7 -39.6-150.4-169.9 52.7 24.7 10.9 180 189 A V T 3 S+ 0 0 97 1,-0.3 -23,-0.2 -2,-0.2 3,-0.1 -0.544 130.7 19.1 -69.0 112.4 49.7 26.1 12.8 181 190 A G T 3 S+ 0 0 57 -25,-2.8 2,-0.5 -2,-0.6 -1,-0.3 0.190 89.4 140.4 110.3 -8.0 48.7 29.2 10.9 182 191 A S < - 0 0 20 -3,-2.1 -26,-1.8 -26,-0.1 2,-0.5 -0.526 51.6-134.4 -75.6 115.6 50.4 28.3 7.7 183 192 A E E +E 155 0D 68 -2,-0.5 2,-0.3 -28,-0.2 -28,-0.2 -0.560 39.6 176.1 -67.9 119.1 48.4 29.1 4.5 184 193 A V E -E 154 0D 8 -30,-2.9 -30,-2.2 -2,-0.5 2,-0.4 -0.847 33.0-122.4-129.4 160.1 48.7 26.0 2.4 185 194 A E E -G 194 0E 21 9,-2.7 9,-1.7 -2,-0.3 2,-0.4 -0.877 31.1-164.3-102.4 137.6 47.5 24.6 -0.8 186 195 A I E +G 193 0E 11 -34,-0.5 -34,-0.6 -2,-0.4 2,-0.3 -0.970 13.9 175.2-128.7 141.2 45.6 21.2 -0.7 187 196 A V E G 192 0E 36 5,-2.4 5,-2.3 -2,-0.4 -38,-0.3 -0.997 360.0 360.0-142.1 136.2 44.6 18.6 -3.3 188 197 A D 0 0 66 -40,-1.5 -40,-0.1 -2,-0.3 -44,-0.0 -0.173 360.0 360.0-113.2 360.0 42.9 15.3 -2.7 189 ! 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 0.0 190 201 A H 0 0 90 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0-166.1 47.3 11.0 -2.1 191 202 A I - 0 0 12 11,-0.3 11,-2.5 10,-0.1 2,-0.5 -0.380 360.0-169.8 -57.8 109.8 46.5 14.1 -0.0 192 203 A T E -GH 187 201E 41 -5,-2.3 -5,-2.4 -2,-0.3 2,-0.5 -0.919 8.5-175.6-106.7 128.6 49.1 16.6 -1.4 193 204 A L E -GH 186 200E 4 7,-3.1 7,-1.8 -2,-0.5 2,-0.3 -0.977 9.3-158.2-129.1 115.8 49.5 19.8 0.4 194 205 A S E +GH 185 199E 38 -9,-1.7 -9,-2.7 -2,-0.5 2,-0.3 -0.684 15.3 169.1 -93.4 149.2 51.9 22.4 -1.0 195 206 A H E > - H 0 198E 35 3,-2.6 3,-2.3 -2,-0.3 -11,-0.1 -0.930 67.2 -3.7-161.2 133.1 53.6 25.2 0.8 196 207 A N T 3 S- 0 0 86 1,-0.3 3,-0.1 -2,-0.3 -12,-0.0 0.733 126.8 -61.2 56.4 27.0 56.4 27.7 -0.2 197 208 A G T 3 S+ 0 0 74 1,-0.3 2,-0.4 -21,-0.0 -1,-0.3 0.279 113.6 116.7 86.8 -12.4 56.7 25.7 -3.4 198 209 A K E < -H 195 0E 41 -3,-2.3 -3,-2.6 -22,-0.2 2,-0.5 -0.759 58.5-141.3 -90.8 133.0 57.6 22.5 -1.6 199 210 A D E -H 194 0E 112 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.876 13.8-166.7-101.7 128.9 55.0 19.7 -2.2 200 211 A V E -H 193 0E 2 -7,-1.8 -7,-3.1 -2,-0.5 2,-1.0 -0.932 9.6-159.3-119.6 116.0 54.1 17.3 0.6 201 212 A E E -H 192 0E 52 -2,-0.5 -9,-0.3 -9,-0.3 -10,-0.1 -0.815 27.0-140.9 -91.7 100.0 52.1 14.1 -0.0 202 213 A L - 0 0 11 -11,-2.5 -11,-0.3 -2,-1.0 2,-0.2 -0.229 6.6-124.6 -62.7 147.5 50.6 13.3 3.4 203 214 A L > - 0 0 67 -13,-0.1 4,-2.9 1,-0.1 3,-0.4 -0.491 35.9 -99.2 -83.9 162.9 50.4 9.7 4.7 204 215 A D H > S+ 0 0 117 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.873 121.3 53.8 -53.1 -44.6 46.9 8.5 5.7 205 216 A D H > S+ 0 0 84 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.895 116.0 39.1 -59.8 -40.3 47.4 9.1 9.5 206 217 A L H > S+ 0 0 1 -3,-0.4 4,-1.8 1,-0.2 -63,-0.2 0.851 109.9 60.0 -77.4 -34.1 48.4 12.7 8.8 207 218 A A H < S+ 0 0 0 -4,-2.9 -63,-2.1 1,-0.2 -1,-0.2 0.747 111.1 44.3 -64.3 -22.2 45.8 13.1 6.1 208 219 A H H < S+ 0 0 85 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.728 117.8 37.5 -94.7 -27.8 43.3 12.3 8.8 209 220 A T H < S+ 0 0 30 -4,-1.1 2,-0.4 -5,-0.1 -2,-0.2 0.604 83.7 102.1-104.2 -12.3 44.4 14.3 11.8 210 221 A I < - 0 0 1 -4,-1.8 -67,-2.5 -5,-0.1 2,-0.3 -0.618 60.3-150.8 -76.3 126.5 45.6 17.6 10.4 211 222 A R E +DF 142 158D 52 -53,-1.7 -54,-3.2 -2,-0.4 -53,-1.5 -0.775 19.7 170.7 -99.4 142.3 43.0 20.3 10.9 212 223 A I E -DF 141 156D 12 -71,-2.8 -71,-2.8 -2,-0.3 2,-0.4 -0.858 23.7-139.7-140.5 171.5 42.4 23.3 8.7 213 224 A E E F 0 155D 38 -58,-1.4 -58,-2.1 -2,-0.3 -78,-0.0 -0.965 360.0 360.0-133.5 142.7 39.9 26.1 8.3 214 225 A E 0 0 106 -2,-0.4 -60,-0.2 -60,-0.2 -61,-0.1 -0.481 360.0 360.0 -64.8 360.0 38.7 27.3 4.9