==== 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 REPRESSOR 26-JUL-96 2DTR . COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR X.QIU,E.POHL,W.G.HOL . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 72.3 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 . 8 5.8 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 . 2 1.5 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 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 48.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 5.1 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 0 1 0 1 1 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 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 ANTIPARALLEL 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 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 0 123 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.7 15.7 19.7 0.2 2 5 A V - 0 0 77 3,-0.0 2,-0.5 4,-0.0 3,-0.1 -0.576 360.0-152.9 -70.1 116.9 13.7 20.6 3.3 3 6 A D > - 0 0 85 -2,-0.4 4,-0.9 1,-0.1 3,-0.1 -0.849 6.1-149.9 -91.1 129.5 14.4 17.8 5.8 4 7 A T H > S+ 0 0 67 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.833 96.1 63.6 -69.3 -30.7 11.4 17.6 8.1 5 8 A T H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 100.6 51.4 -57.9 -41.6 13.7 16.3 10.8 6 9 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.825 107.4 55.2 -63.7 -32.9 15.5 19.7 10.7 7 10 A M H X S+ 0 0 70 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.927 111.1 42.2 -67.2 -44.7 12.1 21.3 11.1 8 11 A Y H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.941 114.2 53.0 -67.3 -43.8 11.3 19.4 14.3 9 12 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.904 109.0 46.2 -61.2 -43.3 14.8 19.9 15.6 10 13 A R H X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.828 110.3 56.5 -71.0 -24.8 14.8 23.7 15.2 11 14 A T H X S+ 0 0 6 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.856 107.5 47.1 -72.1 -35.0 11.3 23.8 16.8 12 15 A I H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.924 113.6 49.0 -70.0 -45.1 12.6 22.0 19.9 13 16 A Y H X S+ 0 0 34 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.952 110.3 51.5 -58.0 -48.5 15.6 24.4 20.1 14 17 A E H X S+ 0 0 35 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.939 112.9 43.0 -55.5 -51.2 13.3 27.4 19.7 15 18 A L H <>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 3,-0.2 0.927 112.4 53.7 -61.6 -47.9 10.9 26.4 22.6 16 19 A E H ><5S+ 0 0 62 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.953 108.6 51.2 -50.6 -48.7 13.8 25.4 24.7 17 20 A E H 3<5S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.9 53.3 -62.4 -33.3 15.3 28.9 24.1 18 21 A E T 3<5S- 0 0 101 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.352 122.3-107.6 -81.5 2.9 12.0 30.6 25.1 19 22 A G T < 5S+ 0 0 70 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.710 75.9 138.3 79.0 20.0 12.2 28.7 28.3 20 23 A V < - 0 0 32 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.746 60.6-112.4 -99.6 146.7 9.3 26.4 27.3 21 24 A T - 0 0 72 -2,-0.3 2,-2.3 -3,-0.1 5,-0.1 -0.646 29.2-128.5 -76.4 122.2 9.2 22.7 27.9 22 25 A P + 0 0 13 0, 0.0 37,-2.2 0, 0.0 2,-0.2 -0.447 45.0 164.3 -75.6 75.4 9.4 21.0 24.6 23 26 A L B > -A 58 0A 67 -2,-2.3 4,-1.6 35,-0.2 3,-0.4 -0.601 48.6-111.1 -86.9 157.9 6.4 18.7 25.0 24 27 A R H > S+ 0 0 97 33,-0.6 4,-2.5 1,-0.2 5,-0.2 0.868 113.8 54.7 -59.3 -39.2 4.9 17.0 21.9 25 28 A A H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 107.6 50.2 -64.3 -37.1 1.6 18.9 21.9 26 29 A R H > S+ 0 0 95 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.884 112.4 47.8 -66.1 -37.9 3.5 22.3 21.8 27 30 A I H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.891 110.1 52.0 -70.5 -35.5 5.6 21.1 18.9 28 31 A A H X>S+ 0 0 9 -4,-2.5 5,-2.5 2,-0.2 4,-1.0 0.918 113.1 46.1 -65.9 -43.9 2.5 19.8 17.1 29 32 A E H ><5S+ 0 0 133 -4,-2.3 3,-0.7 3,-0.2 -2,-0.2 0.969 113.5 45.5 -63.4 -55.4 0.9 23.2 17.5 30 33 A R H 3<5S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.845 121.6 40.3 -59.6 -35.8 4.0 25.3 16.5 31 34 A L H 3<5S- 0 0 27 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.603 104.7-134.4 -84.7 -15.6 4.5 23.0 13.5 32 35 A E T <<5 + 0 0 170 -4,-1.0 2,-0.4 -3,-0.7 -3,-0.2 0.935 60.8 132.8 57.5 47.5 0.7 22.8 12.9 33 36 A Q < - 0 0 94 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.946 62.9-100.5-123.8 144.0 0.9 19.0 12.4 34 37 A S > - 0 0 63 -2,-0.4 4,-2.1 1,-0.1 5,-0.3 -0.212 30.7-109.6 -63.9 160.0 -1.5 16.7 14.2 35 38 A G H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 118.3 53.6 -54.3 -48.6 -0.5 14.9 17.4 36 39 A P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.894 108.4 49.8 -55.2 -42.0 -0.4 11.5 15.5 37 40 A T H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.934 112.3 45.1 -64.0 -46.1 1.9 12.8 12.9 38 41 A V H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.919 109.7 58.3 -66.7 -34.3 4.4 14.3 15.3 39 42 A S H X S+ 0 0 60 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.915 109.2 42.7 -59.3 -46.4 4.2 11.2 17.3 40 43 A Q H X S+ 0 0 125 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.878 115.1 49.7 -68.7 -37.8 5.3 9.1 14.3 41 44 A T H X S+ 0 0 10 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.884 110.3 49.5 -69.5 -37.4 8.1 11.6 13.3 42 45 A V H X S+ 0 0 6 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.910 106.5 58.3 -66.4 -39.3 9.4 11.7 16.9 43 46 A A H X S+ 0 0 30 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.866 110.4 41.8 -58.4 -37.8 9.4 7.8 16.9 44 47 A R H X S+ 0 0 75 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.779 110.7 56.1 -82.6 -25.5 11.7 7.8 13.8 45 48 A M H <>S+ 0 0 1 -4,-1.6 5,-3.0 2,-0.2 6,-0.8 0.812 106.6 51.7 -71.9 -30.8 13.9 10.6 15.2 46 49 A E H ><5S+ 0 0 83 -4,-2.1 3,-2.1 3,-0.2 -2,-0.2 0.937 107.6 51.8 -67.0 -48.5 14.5 8.5 18.3 47 50 A R H 3<5S+ 0 0 189 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.830 109.1 51.2 -58.5 -30.0 15.5 5.6 16.1 48 51 A D T 3<5S- 0 0 100 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.505 115.9-117.1 -86.1 -1.0 17.9 7.9 14.4 49 52 A G T < 5S+ 0 0 34 -3,-2.1 16,-0.4 2,-0.2 15,-0.3 0.774 81.8 117.9 72.1 29.3 19.4 9.0 17.8 50 53 A L S - 0 0 15 4,-3.2 3,-2.1 -2,-0.8 -1,-0.0 -0.069 23.4 -96.4 -59.4 165.6 12.5 12.1 28.7 55 58 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.761 125.9 54.2 -55.0 -26.2 11.1 10.5 31.8 56 59 A D T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 -0.004 121.7-102.6 -98.8 25.5 8.7 13.5 32.1 57 60 A R S < S+ 0 0 44 -3,-2.1 -33,-0.6 1,-0.2 2,-0.2 0.514 85.2 121.6 68.3 5.1 7.2 13.2 28.5 58 61 A S B -A 23 0A 10 -35,-0.2 -4,-3.2 -34,-0.1 2,-0.5 -0.600 66.9-108.2 -96.1 164.1 9.4 16.1 27.2 59 62 A L E -B 53 0B 4 -37,-2.2 2,-0.5 -6,-0.2 -6,-0.2 -0.795 27.0-166.5 -98.0 125.3 11.9 15.9 24.3 60 63 A Q E -B 52 0B 123 -8,-3.1 -8,-2.2 -2,-0.5 2,-0.3 -0.960 17.9-136.0-112.3 121.8 15.6 15.9 25.0 61 64 A M E -B 51 0B 15 -2,-0.5 -10,-0.3 -10,-0.2 -11,-0.1 -0.590 19.6-130.6 -75.2 136.9 17.8 16.5 22.1 62 65 A T > - 0 0 35 -12,-1.4 4,-2.9 -2,-0.3 5,-0.3 -0.362 34.3 -94.1 -78.7 168.5 20.8 14.2 22.0 63 66 A P H > S+ 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.939 129.0 45.3 -51.5 -43.9 24.3 15.7 21.4 64 67 A T H > S+ 0 0 88 -15,-0.3 4,-1.8 1,-0.2 5,-0.1 0.886 112.1 50.3 -67.3 -42.2 24.0 15.0 17.7 65 68 A G H > S+ 0 0 0 -16,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.896 110.7 51.2 -62.4 -36.8 20.4 16.3 17.5 66 69 A R H X S+ 0 0 89 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.859 107.9 51.7 -68.3 -36.8 21.5 19.5 19.3 67 70 A T H X S+ 0 0 79 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.879 110.8 47.5 -66.9 -39.8 24.4 20.0 16.9 68 71 A L H X S+ 0 0 66 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.935 112.2 50.3 -65.7 -47.6 22.0 19.7 13.9 69 72 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.850 107.7 53.5 -55.7 -46.5 19.5 22.1 15.4 70 73 A T H X S+ 0 0 24 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.910 107.0 50.4 -58.0 -48.9 22.1 24.7 16.2 71 74 A A H X S+ 0 0 23 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.847 110.9 49.8 -60.3 -37.3 23.4 24.8 12.6 72 75 A V H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.912 112.6 47.6 -68.5 -39.7 19.8 25.2 11.3 73 76 A M H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.849 110.7 51.5 -68.5 -34.1 19.2 28.1 13.8 74 77 A R H X S+ 0 0 8 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.925 111.8 46.8 -67.5 -45.7 22.5 29.7 12.8 75 78 A K H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.936 111.4 52.2 -58.9 -49.6 21.5 29.5 9.1 76 79 A H H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.936 114.6 41.1 -51.2 -52.8 18.1 30.9 9.9 77 80 A R H X S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.759 112.2 52.7 -72.5 -29.7 19.5 33.9 11.8 78 81 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.879 110.1 51.8 -69.4 -39.1 22.4 34.6 9.4 79 82 A A H X S+ 0 0 1 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.922 107.8 51.1 -64.0 -42.2 19.6 34.7 6.6 80 83 A E H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 5,-0.3 0.872 110.2 48.5 -62.5 -44.1 17.6 37.2 8.6 81 84 A R H X>S+ 0 0 37 -4,-1.6 4,-2.1 2,-0.2 5,-0.5 0.866 113.0 48.5 -61.2 -43.0 20.6 39.5 9.0 82 85 A L H X>S+ 0 0 34 -4,-2.2 5,-1.9 1,-0.2 4,-1.7 0.939 111.5 50.9 -63.0 -45.7 21.3 39.2 5.3 83 86 A L H <>S+ 0 0 4 -4,-3.0 6,-2.4 3,-0.2 5,-0.5 0.804 120.7 31.5 -64.0 -32.6 17.6 39.9 4.5 84 87 A T H <5S+ 0 0 30 -4,-1.8 4,-0.4 4,-0.2 -2,-0.2 0.909 123.2 42.7 -91.7 -50.2 17.3 43.0 6.6 85 88 A D H <5S+ 0 0 76 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.898 132.2 12.3 -64.6 -46.9 20.8 44.5 6.4 86 89 A I T <> - 0 0 70 1,-0.2 3,-2.6 3,-0.1 4,-0.8 -0.206 34.9-129.8 -45.2 127.4 10.2 44.3 5.0 91 94 A I H 3> S+ 0 0 79 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.774 106.2 63.8 -55.0 -28.6 10.8 43.3 8.6 92 95 A N H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.661 109.9 39.5 -74.5 -8.8 7.3 41.7 8.8 93 96 A K H <> S+ 0 0 122 -3,-2.6 4,-1.6 2,-0.1 -1,-0.2 0.494 89.9 89.0-116.4 -7.9 8.4 39.2 6.2 94 97 A V H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.3 5,-0.2 0.943 86.2 50.9 -58.4 -51.6 12.0 38.4 7.2 95 98 A H H X S+ 0 0 74 -4,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.907 110.7 45.2 -56.0 -53.6 11.2 35.6 9.6 96 99 A D H > S+ 0 0 106 -4,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.849 113.4 51.9 -60.7 -36.0 9.0 33.5 7.3 97 100 A E H >X S+ 0 0 49 -4,-1.6 3,-1.8 1,-0.2 4,-1.7 0.974 110.2 47.9 -64.6 -49.6 11.4 33.9 4.5 98 101 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.745 98.7 69.7 -61.0 -27.7 14.3 32.8 6.7 99 102 A C H 3< S+ 0 0 33 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.739 109.0 35.9 -62.2 -24.8 12.2 29.8 7.8 100 103 A R H X< S+ 0 0 137 -3,-1.8 3,-1.0 -4,-0.6 4,-0.3 0.787 113.5 55.4 -94.6 -39.0 12.6 28.4 4.3 101 104 A W H >X S+ 0 0 76 -4,-1.7 3,-1.8 1,-0.2 4,-1.5 0.810 92.2 73.4 -64.8 -29.1 16.2 29.6 3.6 102 105 A E T 3< S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.3 -26,-0.1 0.737 95.0 53.3 -60.2 -21.3 17.5 27.8 6.7 103 106 A H T <4 S+ 0 0 21 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.620 114.6 36.5 -90.4 -13.7 17.1 24.5 4.9 104 107 A V T <4 S+ 0 0 100 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.514 83.5 109.4-119.2 -3.0 19.1 25.4 1.7 105 108 A M < - 0 0 23 -4,-1.5 2,-0.1 4,-0.0 -30,-0.1 -0.578 58.2-142.0 -78.8 129.6 22.0 27.5 2.8 106 109 A S > - 0 0 43 -2,-0.3 4,-1.5 1,-0.1 3,-0.4 -0.456 21.7-115.8 -84.8 161.0 25.4 25.8 2.6 107 110 A D H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.823 116.4 61.8 -64.0 -32.2 28.1 26.4 5.3 108 111 A E H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.857 102.8 49.9 -62.1 -37.5 30.3 27.9 2.6 109 112 A V H > S+ 0 0 67 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.893 109.4 52.4 -68.1 -37.8 27.6 30.6 2.2 110 113 A E H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.925 104.6 54.3 -62.7 -45.1 27.5 31.2 6.0 111 114 A R H X S+ 0 0 112 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.929 110.7 47.8 -54.5 -43.2 31.3 31.7 6.1 112 115 A R H X S+ 0 0 136 -4,-1.5 4,-2.1 1,-0.2 3,-0.4 0.828 108.5 54.3 -65.1 -38.0 30.9 34.4 3.5 113 116 A L H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.870 101.4 57.7 -65.3 -36.6 28.0 36.0 5.4 114 117 A V H < S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.740 111.4 45.4 -65.0 -23.5 30.1 36.3 8.6 115 118 A K H < S+ 0 0 142 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.887 115.5 41.9 -84.9 -48.1 32.6 38.3 6.5 116 119 A V H < S+ 0 0 84 -4,-2.1 2,-0.3 2,-0.0 -2,-0.2 0.796 102.2 78.5 -75.1 -26.8 30.2 40.6 4.6 117 120 A L < - 0 0 10 -4,-2.5 3,-0.2 -5,-0.2 -35,-0.1 -0.618 68.9-148.1 -85.9 142.7 27.9 41.4 7.6 118 121 A K S S+ 0 0 108 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.848 85.1 25.2 -76.2 -38.2 29.1 43.9 10.2 119 122 A D + 0 0 86 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 -0.956 52.5 164.5-136.2 117.4 27.4 42.3 13.2 120 123 A V + 0 0 20 -2,-0.4 9,-0.3 -3,-0.2 -1,-0.1 -0.011 52.2 101.9-114.9 26.3 26.5 38.6 13.4 121 124 A S S S+ 0 0 60 1,-0.2 8,-1.5 7,-0.1 2,-0.3 0.832 87.1 12.4 -81.3 -31.4 25.9 38.5 17.2 122 125 A R B S-C 128 0C 122 6,-0.3 -1,-0.2 -3,-0.1 -3,-0.1 -0.971 73.3-110.6-141.8 161.7 22.1 38.6 17.2 123 126 A S > - 0 0 3 4,-3.4 3,-2.4 -2,-0.3 -45,-0.1 -0.383 43.8-102.8 -81.9 165.3 19.2 38.2 14.9 124 127 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -47,-0.0 0.801 123.1 61.0 -63.2 -15.7 17.0 41.3 14.1 125 128 A F T 3 S- 0 0 92 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.308 123.6-101.0 -93.0 10.7 14.5 39.8 16.6 126 129 A G S < S+ 0 0 42 -3,-2.4 -1,-0.0 1,-0.3 0, 0.0 0.508 79.5 123.2 89.8 4.5 17.0 39.9 19.4 127 130 A N - 0 0 64 1,-0.1 -4,-3.4 -50,-0.0 -1,-0.3 -0.786 63.8-106.9-103.6 144.7 18.2 36.4 19.8 128 131 A P B -C 122 0C 63 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.331 28.7-117.8 -67.2 147.1 21.9 35.4 19.6 129 132 A I - 0 0 11 -8,-1.5 3,-0.4 -9,-0.3 -55,-0.1 -0.800 37.4-145.2 -85.0 114.9 23.2 33.6 16.5 130 133 A P + 0 0 18 0, 0.0 -53,-0.1 0, 0.0 -8,-0.0 -0.408 65.2 24.0 -83.3 159.1 24.4 30.1 17.8 131 134 A G + 0 0 11 -2,-0.1 3,-0.3 1,-0.1 6,-0.1 0.645 61.1 140.9 67.7 26.6 27.4 28.0 16.6 132 135 A L S > >S+ 0 0 30 -3,-0.4 5,-2.3 1,-0.2 3,-1.4 0.831 73.8 60.2 -67.2 -29.3 29.6 30.7 15.0 133 136 A D G > 5S+ 0 0 109 1,-0.3 3,-2.4 3,-0.2 -1,-0.2 0.899 94.1 61.4 -62.0 -43.1 32.5 28.8 16.5 134 137 A E G 3 5S+ 0 0 130 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.478 107.3 49.5 -62.6 -3.7 31.5 25.7 14.4 135 138 A L G < 5S- 0 0 14 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.071 125.3 -98.8-123.0 18.6 32.2 28.1 11.5 136 139 A G T < 5 0 0 81 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.728 360.0 360.0 70.4 19.9 35.6 29.4 12.5 137 140 A V < 0 0 82 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.635 360.0 360.0-114.7 360.0 34.0 32.6 13.9