==== 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 1G3W . 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 . 211 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 72.5 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 . 27 12.8 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 . 15 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 36.5 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 0 0 1 1 2 0 1 0 0 1 0 1 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 . 3 1 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 0 166 0, 0.0 2,-3.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.5 16.1 20.4 1.6 2 5 A V - 0 0 83 4,-0.1 102,-0.1 102,-0.1 5,-0.1 -0.280 360.0-171.3 -72.2 61.0 13.1 21.5 3.7 3 6 A D > - 0 0 78 -2,-3.3 4,-1.4 100,-0.2 5,-0.0 -0.318 22.5-150.0 -59.6 131.3 13.6 18.6 6.2 4 7 A T H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.813 99.9 60.5 -68.9 -31.4 10.7 18.4 8.6 5 8 A T H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 102.0 50.3 -62.5 -43.2 13.2 17.0 11.1 6 9 A E H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 111.3 51.4 -61.9 -37.7 15.2 20.2 10.8 7 10 A M H X S+ 0 0 49 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.919 109.2 46.7 -65.2 -47.2 11.9 22.0 11.5 8 11 A Y H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.937 112.8 52.3 -62.0 -40.7 11.0 20.0 14.6 9 12 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.832 108.6 47.4 -65.0 -39.8 14.6 20.5 15.9 10 13 A R H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.883 111.1 54.9 -69.6 -33.7 14.6 24.2 15.5 11 14 A T H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 107.4 46.6 -61.6 -50.8 11.1 24.3 17.2 12 15 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.908 112.7 53.5 -58.1 -38.5 12.3 22.4 20.3 13 16 A Y H X S+ 0 0 38 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.888 107.8 48.6 -64.1 -44.0 15.3 24.8 20.3 14 17 A E H X S+ 0 0 23 -4,-2.4 4,-2.7 2,-0.2 6,-0.2 0.919 110.0 52.7 -61.4 -46.6 13.0 27.9 20.3 15 18 A L H X>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.8 0.949 110.7 44.9 -55.9 -54.2 10.9 26.5 23.1 16 19 A E H ><5S+ 0 0 63 -4,-2.3 3,-1.8 3,-0.2 -1,-0.2 0.960 112.6 54.1 -53.0 -52.9 13.8 25.8 25.4 17 20 A E H 3<5S+ 0 0 65 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.884 108.9 45.8 -48.9 -48.3 15.2 29.3 24.5 18 21 A E H 3<5S- 0 0 108 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.607 122.8-112.5 -71.8 -12.1 11.9 31.0 25.4 19 22 A G T <<5S+ 0 0 61 -3,-1.8 -3,-0.2 -4,-0.8 -2,-0.2 0.502 71.4 139.3 94.0 6.3 12.1 28.8 28.5 20 23 A V < - 0 0 37 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.470 60.9-108.7 -81.5 154.9 9.1 26.7 27.6 21 24 A T - 0 0 71 -2,-0.1 2,-1.9 -3,-0.1 5,-0.1 -0.749 31.6-123.0 -83.1 122.9 9.1 22.9 28.3 22 25 A P + 0 0 14 0, 0.0 37,-2.6 0, 0.0 2,-0.3 -0.499 47.7 164.8 -70.0 82.5 9.3 21.2 24.9 23 26 A L B >> -A 58 0A 69 -2,-1.9 4,-1.9 35,-0.2 3,-0.9 -0.797 47.5-115.5 -98.8 148.7 6.2 19.1 25.2 24 27 A R H 3> S+ 0 0 94 33,-0.7 4,-2.7 -2,-0.3 5,-0.2 0.895 112.8 53.9 -49.7 -48.4 4.7 17.4 22.1 25 28 A A H 3> S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.824 107.4 52.2 -59.1 -32.6 1.4 19.4 22.2 26 29 A R H <> S+ 0 0 93 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.936 111.0 46.6 -67.7 -44.4 3.4 22.7 22.2 27 30 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.910 112.8 50.9 -63.9 -39.8 5.4 21.6 19.2 28 31 A A H X>S+ 0 0 11 -4,-2.7 5,-2.3 -5,-0.2 4,-0.8 0.895 110.6 49.4 -64.7 -43.0 2.2 20.5 17.5 29 32 A E H ><5S+ 0 0 130 -4,-2.4 3,-1.9 -5,-0.2 -2,-0.2 0.998 115.9 40.6 -59.2 -64.4 0.5 23.8 18.2 30 33 A R H 3<5S+ 0 0 86 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.810 116.0 48.7 -54.6 -41.0 3.4 25.9 16.9 31 34 A L H 3<5S- 0 0 28 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.641 105.3-130.1 -74.7 -12.4 4.2 23.7 13.9 32 35 A E T <<5 + 0 0 170 -3,-1.9 2,-0.3 -4,-0.8 -3,-0.2 0.936 65.6 133.6 60.7 43.5 0.4 23.8 13.1 33 36 A Q < - 0 0 75 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.884 60.6 -99.1-121.2 154.0 0.7 20.0 12.8 34 37 A S > - 0 0 60 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.324 24.9-119.0 -76.2 158.6 -1.6 17.4 14.3 35 38 A G H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.879 114.5 50.7 -61.0 -43.3 -0.9 15.6 17.6 36 39 A P H > S+ 0 0 84 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.799 112.6 47.9 -67.1 -28.2 -0.9 12.2 15.9 37 40 A T H > S+ 0 0 56 2,-0.2 4,-2.3 -3,-0.1 -2,-0.2 0.916 110.4 49.1 -78.6 -44.8 1.5 13.4 13.2 38 41 A V H X S+ 0 0 3 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.941 110.9 49.9 -61.9 -45.5 4.0 15.0 15.6 39 42 A S H X S+ 0 0 44 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.841 110.5 51.8 -61.4 -31.9 4.2 11.9 17.8 40 43 A Q H X S+ 0 0 136 -4,-0.7 4,-1.5 -5,-0.2 -1,-0.3 0.901 112.9 44.8 -71.4 -35.7 4.8 9.9 14.7 41 44 A T H X S+ 0 0 21 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.904 112.0 49.5 -74.0 -41.3 7.6 12.3 13.7 42 45 A V H X S+ 0 0 4 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.915 107.6 59.1 -63.2 -35.8 9.2 12.4 17.2 43 46 A A H X S+ 0 0 38 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.903 108.1 42.5 -57.4 -47.3 9.0 8.6 17.0 44 47 A R H X S+ 0 0 90 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.918 114.6 51.6 -66.9 -42.4 11.1 8.5 13.9 45 48 A M H <>S+ 0 0 1 -4,-2.6 5,-2.8 2,-0.2 6,-0.8 0.800 107.5 52.6 -64.9 -31.3 13.5 11.1 15.4 46 49 A E H ><5S+ 0 0 80 -4,-2.5 3,-2.4 1,-0.2 -1,-0.2 0.958 107.6 51.2 -69.9 -45.2 13.8 9.1 18.6 47 50 A R H 3<5S+ 0 0 185 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.769 108.2 53.3 -60.6 -28.2 14.8 6.0 16.6 48 51 A D T 3<5S- 0 0 86 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.405 116.7-116.9 -86.1 -1.4 17.4 8.1 14.8 49 52 A G T < 5S+ 0 0 37 -3,-2.4 16,-0.4 2,-0.2 15,-0.3 0.806 81.6 119.9 71.4 30.7 18.8 9.2 18.2 50 53 A L S - 0 0 18 4,-3.0 3,-2.4 -2,-0.7 -1,-0.0 -0.251 27.4 -96.1 -76.1 169.8 11.7 11.7 29.0 55 58 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.869 126.7 55.4 -51.7 -41.6 9.5 10.2 31.7 56 59 A D T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.250 120.4-112.6 -77.7 12.5 7.7 13.6 32.1 57 60 A R S < S+ 0 0 36 -3,-2.4 -33,-0.7 1,-0.2 2,-0.3 0.711 74.6 136.1 62.9 22.2 6.9 13.3 28.3 58 61 A S B -A 23 0A 16 -35,-0.2 -4,-3.0 -34,-0.1 2,-0.6 -0.711 58.9-112.7 -95.1 154.5 9.2 16.3 27.6 59 62 A L E -B 53 0B 3 -37,-2.6 2,-0.6 -2,-0.3 -6,-0.2 -0.778 25.8-163.7 -97.1 120.3 11.6 16.1 24.7 60 63 A Q E -B 52 0B 114 -8,-3.1 -8,-2.5 -2,-0.6 2,-0.2 -0.901 16.0-138.5-102.5 116.5 15.3 16.0 25.4 61 64 A M E -B 51 0B 12 -2,-0.6 -10,-0.2 -10,-0.2 -11,-0.1 -0.515 19.0-133.5 -72.6 135.5 17.5 16.7 22.5 62 65 A T > - 0 0 32 -12,-1.3 4,-3.1 -2,-0.2 5,-0.3 -0.458 33.7 -94.0 -81.2 165.8 20.5 14.3 22.4 63 66 A P H > S+ 0 0 108 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.876 128.7 45.6 -50.6 -37.3 24.0 15.9 21.8 64 67 A T H > S+ 0 0 91 -15,-0.3 4,-2.1 2,-0.2 5,-0.2 0.901 111.3 50.6 -72.2 -44.9 23.6 15.2 18.1 65 68 A G H > S+ 0 0 0 -16,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.944 111.1 50.4 -58.0 -42.9 20.1 16.5 17.9 66 69 A R H X S+ 0 0 87 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.821 107.7 52.8 -63.6 -36.6 21.3 19.6 19.6 67 70 A T H X S+ 0 0 101 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.877 112.9 44.0 -65.2 -42.1 24.1 20.1 17.2 68 71 A L H X S+ 0 0 56 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.888 112.5 52.2 -70.0 -40.5 21.8 19.8 14.3 69 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.930 108.9 51.7 -60.3 -47.0 19.2 22.2 16.0 70 73 A T H X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.901 109.6 48.1 -57.6 -45.1 22.0 24.7 16.5 71 74 A A H X S+ 0 0 20 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.892 110.8 50.9 -64.4 -41.5 23.1 24.7 12.9 72 75 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.898 113.2 46.3 -63.9 -37.6 19.5 25.1 11.7 73 76 A M H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.858 110.1 52.3 -73.5 -37.8 19.0 28.1 14.0 74 77 A R H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.968 113.2 44.3 -62.1 -52.1 22.3 29.7 13.1 75 78 A K H X S+ 0 0 17 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.891 113.1 52.2 -58.0 -46.7 21.4 29.5 9.3 76 79 A H H X S+ 0 0 3 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.933 114.8 41.2 -55.5 -50.6 17.9 30.7 10.0 77 80 A R H X S+ 0 0 7 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.798 112.8 53.0 -71.8 -28.3 19.1 33.7 12.0 78 81 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.909 108.1 52.7 -72.5 -37.3 21.9 34.4 9.5 79 82 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.886 106.7 53.2 -63.5 -37.5 19.3 34.4 6.8 80 83 A E H X S+ 0 0 4 -4,-1.6 4,-1.4 2,-0.2 5,-0.3 0.888 109.5 47.3 -65.7 -39.3 17.2 37.0 8.8 81 84 A R H X>S+ 0 0 35 -4,-1.8 4,-2.8 2,-0.2 5,-0.6 0.934 113.5 48.9 -65.7 -45.6 20.3 39.3 9.0 82 85 A L H X>S+ 0 0 32 -4,-2.7 5,-2.0 1,-0.2 4,-1.9 0.970 111.8 49.1 -56.7 -53.2 20.9 38.8 5.3 83 86 A L H <5S+ 0 0 3 -4,-3.0 6,-2.7 3,-0.2 5,-0.3 0.706 122.8 30.5 -60.1 -29.8 17.2 39.6 4.4 84 87 A T H <5S+ 0 0 30 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.824 125.6 40.6 -98.3 -40.4 16.9 42.7 6.5 85 88 A D H <5S+ 0 0 72 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.946 133.2 14.9 -74.2 -49.9 20.4 44.1 6.4 86 89 A I T <> - 0 0 72 1,-0.2 3,-3.4 2,-0.1 4,-1.1 -0.419 36.5-130.2 -63.8 126.7 9.8 43.8 4.8 91 94 A I T 34 S+ 0 0 82 1,-0.3 4,-0.5 -2,-0.2 -1,-0.2 0.727 105.7 61.6 -47.1 -30.3 10.4 43.1 8.5 92 95 A N T 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.557 110.3 38.7 -79.1 -4.9 7.0 41.5 8.6 93 96 A K T <> S+ 0 0 125 -3,-3.4 4,-2.0 2,-0.1 3,-0.3 0.578 88.7 91.5-117.2 -14.5 8.0 38.8 6.1 94 97 A V H X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 5,-0.2 0.817 84.0 54.6 -50.9 -42.0 11.6 38.1 7.1 95 98 A H H > S+ 0 0 73 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.924 110.3 42.9 -61.0 -52.1 10.7 35.3 9.5 96 99 A D H > S+ 0 0 102 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.875 114.4 51.1 -63.3 -40.1 8.7 33.2 7.0 97 100 A E H >X S+ 0 0 47 -4,-2.0 4,-2.1 1,-0.2 3,-1.5 0.970 112.1 47.6 -61.1 -50.3 11.3 33.7 4.3 98 101 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.836 101.2 64.7 -60.5 -35.4 14.0 32.7 6.7 99 102 A S H 3< S+ 0 0 24 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.751 110.3 39.4 -60.2 -24.4 12.1 29.6 7.8 100 103 A R H X< S+ 0 0 134 -3,-1.5 3,-1.1 -4,-0.8 -2,-0.2 0.856 112.6 53.0 -91.6 -42.3 12.4 28.4 4.2 101 104 A W H >X S+ 0 0 76 -4,-2.1 3,-2.0 1,-0.2 4,-1.3 0.793 93.0 73.8 -65.9 -28.0 16.0 29.5 3.5 102 105 A E T 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.789 94.5 53.3 -56.8 -28.4 17.3 27.7 6.6 103 106 A H T <4 S+ 0 0 9 -3,-1.1 -1,-0.3 -4,-0.2 -100,-0.2 0.513 115.9 36.4 -85.9 -8.1 16.9 24.4 4.9 104 107 A V T <4 S+ 0 0 103 -3,-2.0 2,-0.5 -4,-0.2 -2,-0.2 0.429 83.7 108.7-123.3 -4.5 18.9 25.3 1.8 105 108 A M < - 0 0 19 -4,-1.3 2,-0.1 -3,-0.1 -30,-0.1 -0.675 59.8-142.4 -78.5 127.7 21.8 27.5 3.0 106 109 A S > - 0 0 42 -2,-0.5 4,-1.6 1,-0.1 3,-0.3 -0.453 20.5-116.2 -84.9 161.7 25.1 25.7 2.8 107 110 A D H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 116.6 61.6 -64.6 -34.7 27.8 26.1 5.5 108 111 A E H > S+ 0 0 104 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.892 104.6 47.0 -60.4 -39.4 30.0 27.6 2.8 109 112 A V H > S+ 0 0 67 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.883 109.6 55.0 -69.7 -37.3 27.4 30.4 2.3 110 113 A E H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.883 103.8 52.9 -60.9 -45.4 27.2 30.9 6.1 111 114 A R H X S+ 0 0 90 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.911 111.9 47.7 -59.2 -37.8 31.0 31.4 6.4 112 115 A R H >X S+ 0 0 143 -4,-1.4 4,-2.1 2,-0.2 3,-0.7 0.890 108.2 52.4 -69.2 -42.5 30.8 34.1 3.7 113 116 A L H 3X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.928 102.6 59.8 -60.0 -42.6 27.8 35.9 5.3 114 117 A V H 3< S+ 0 0 22 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.842 109.7 45.4 -54.8 -29.2 29.8 36.0 8.5 115 118 A K H << S+ 0 0 126 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.855 117.3 39.8 -82.7 -38.1 32.3 38.0 6.4 116 119 A V H < S+ 0 0 79 -4,-2.1 2,-0.4 2,-0.0 -2,-0.2 0.683 96.9 84.9 -87.4 -20.8 29.9 40.4 4.7 117 120 A L < - 0 0 11 -4,-2.7 3,-0.2 -5,-0.2 -35,-0.1 -0.704 69.0-143.3 -86.7 134.9 27.4 41.2 7.5 118 121 A K S S+ 0 0 107 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.839 86.9 20.7 -64.2 -37.0 28.4 44.0 9.9 119 122 A D + 0 0 79 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 -0.936 53.1 167.2-142.4 118.8 26.9 42.3 13.0 120 123 A V + 0 0 20 -2,-0.4 9,-0.3 -3,-0.2 -1,-0.1 0.151 55.9 97.4-113.2 16.7 26.2 38.7 13.5 121 124 A S S S+ 0 0 59 1,-0.1 8,-1.9 7,-0.1 2,-0.3 0.889 92.0 13.4 -75.3 -36.3 25.6 38.6 17.2 122 125 A R B S-C 128 0C 131 6,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.934 73.9-116.8-137.5 160.0 21.8 38.8 17.1 123 126 A S > - 0 0 3 4,-2.8 3,-2.2 -2,-0.3 -45,-0.1 -0.364 46.8 -94.1 -85.1 173.6 19.0 38.4 14.6 124 127 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -47,-0.0 0.824 126.6 58.6 -61.4 -23.3 16.8 41.4 13.8 125 128 A F T 3 S- 0 0 98 2,-0.1 0, 0.0 1,-0.0 0, 0.0 0.348 121.6-103.8 -89.6 8.2 14.4 40.1 16.5 126 129 A G S < S+ 0 0 40 -3,-2.2 -1,-0.0 1,-0.3 -4,-0.0 0.645 76.5 131.3 83.1 17.5 17.0 40.3 19.3 127 130 A N - 0 0 61 1,-0.0 -4,-2.8 -50,-0.0 -1,-0.3 -0.788 60.6-109.7-102.7 143.4 17.9 36.6 19.6 128 131 A P B -C 122 0C 63 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.393 26.6-118.2 -71.4 149.1 21.5 35.5 19.7 129 132 A I - 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