==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPRESSOR 21-JUN-98 1BI1 . COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR E.POHL,W.G.J.HOL . 213 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 70.9 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 13.1 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 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 2 0 2 1 0 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 . 3 1 2 2 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 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 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 90 0, 0.0 2,-2.7 0, 0.0 103,-0.0 0.000 360.0 360.0 360.0 128.3 16.5 20.0 1.5 2 5 A V - 0 0 117 4,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.355 360.0-174.8 -64.7 74.5 13.3 20.8 3.4 3 6 A D > - 0 0 80 -2,-2.7 4,-1.6 1,-0.2 5,-0.1 -0.587 25.0-153.8 -76.3 130.6 13.8 18.2 6.1 4 7 A T H > S+ 0 0 60 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.881 98.1 61.2 -67.8 -36.5 10.9 17.9 8.5 5 8 A T H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 103.7 47.4 -55.0 -47.3 13.5 16.6 11.0 6 9 A E H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 112.3 50.2 -61.7 -42.5 15.4 19.9 10.8 7 10 A M H X S+ 0 0 48 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.909 112.1 47.3 -62.0 -41.9 12.2 21.8 11.3 8 11 A Y H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.864 111.6 51.4 -66.5 -39.3 11.3 19.7 14.3 9 12 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.839 111.1 45.5 -70.1 -35.4 14.8 20.1 15.8 10 13 A R H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.717 108.7 57.5 -83.0 -14.8 14.7 23.9 15.5 11 14 A T H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.891 108.4 46.7 -73.9 -42.1 11.2 24.0 16.9 12 15 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.887 111.0 52.4 -63.3 -42.8 12.4 22.2 20.1 13 16 A Y H X S+ 0 0 40 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.896 110.1 49.1 -60.5 -42.6 15.4 24.6 20.3 14 17 A E H X S+ 0 0 17 -4,-1.6 4,-1.4 2,-0.2 6,-0.2 0.913 110.8 49.0 -63.1 -51.9 13.0 27.6 20.1 15 18 A L H ><>S+ 0 0 2 -4,-2.3 5,-3.1 2,-0.2 3,-0.9 0.954 112.3 47.2 -55.2 -52.1 10.7 26.3 22.8 16 19 A E H ><5S+ 0 0 64 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.915 110.9 55.3 -53.0 -44.0 13.7 25.5 25.1 17 20 A E H 3<5S+ 0 0 61 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.746 106.8 47.5 -60.2 -30.9 14.8 29.1 24.2 18 21 A E T <<5S- 0 0 103 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.368 121.6-110.1 -91.2 2.7 11.6 30.6 25.3 19 22 A G T < 5S+ 0 0 70 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.708 73.6 142.3 76.3 19.0 11.8 28.5 28.5 20 23 A V < - 0 0 22 -5,-3.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.780 60.6-111.0 -95.6 138.1 9.0 26.3 27.3 21 24 A T - 0 0 69 -2,-0.4 2,-2.5 1,-0.1 5,-0.1 -0.538 32.8-121.6 -66.6 124.1 9.1 22.6 28.1 22 25 A P + 0 0 17 0, 0.0 37,-2.5 0, 0.0 2,-0.2 -0.402 50.4 166.1 -70.9 70.9 9.5 20.9 24.7 23 26 A L B > -A 58 0A 63 -2,-2.5 4,-1.8 35,-0.2 3,-0.3 -0.610 45.4-117.9 -88.5 153.3 6.4 18.8 24.8 24 27 A R H > S+ 0 0 98 33,-0.7 4,-2.9 -2,-0.2 3,-0.2 0.900 110.9 50.9 -54.6 -52.8 4.8 17.0 21.9 25 28 A A H > S+ 0 0 79 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.842 109.4 52.7 -56.8 -35.9 1.5 18.9 21.8 26 29 A R H > S+ 0 0 120 -3,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.888 112.2 45.5 -65.5 -41.4 3.3 22.2 21.9 27 30 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.2 6,-0.3 0.877 111.3 51.6 -70.4 -37.7 5.3 21.1 18.9 28 31 A A H <>S+ 0 0 9 -4,-2.9 5,-2.3 2,-0.2 4,-0.5 0.948 115.1 44.5 -63.6 -43.9 2.3 19.8 17.1 29 32 A E H ><5S+ 0 0 142 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.958 114.9 44.9 -62.7 -56.5 0.7 23.2 17.7 30 33 A R H 3<5S+ 0 0 94 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.882 119.0 44.7 -55.3 -42.0 3.7 25.3 16.8 31 34 A L T 3<5S- 0 0 22 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.404 103.3-129.3 -83.7 -3.7 4.3 23.1 13.7 32 35 A E T < 5 + 0 0 171 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.869 68.4 128.9 54.3 35.6 0.6 23.0 12.6 33 36 A Q < - 0 0 66 -5,-2.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.830 64.2-104.5-114.4 157.4 1.0 19.2 12.4 34 37 A S > - 0 0 59 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.413 28.5-110.8 -80.6 161.3 -1.3 16.8 14.2 35 38 A G H > S+ 0 0 43 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.892 119.9 50.4 -55.5 -45.5 -0.3 14.9 17.3 36 39 A P H > S+ 0 0 100 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.933 109.8 49.0 -59.1 -47.9 -0.2 11.6 15.4 37 40 A T H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.953 113.6 48.5 -57.2 -46.6 2.0 13.1 12.7 38 41 A V H X S+ 0 0 1 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.946 110.4 50.0 -58.0 -49.9 4.3 14.5 15.4 39 42 A S H X S+ 0 0 55 -4,-3.0 4,-2.8 1,-0.3 5,-0.2 0.921 110.3 50.9 -55.5 -47.2 4.4 11.2 17.2 40 43 A Q H X S+ 0 0 95 -4,-2.8 4,-0.9 1,-0.2 -1,-0.3 0.874 114.4 44.2 -58.0 -41.7 5.3 9.4 13.9 41 44 A T H X S+ 0 0 4 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.882 111.9 50.5 -73.1 -40.0 8.1 11.9 13.3 42 45 A V H X S+ 0 0 2 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.931 109.2 51.9 -62.2 -48.1 9.4 11.9 16.9 43 46 A A H X S+ 0 0 27 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.806 110.9 50.6 -57.0 -30.9 9.5 8.0 16.8 44 47 A R H X S+ 0 0 93 -4,-0.9 4,-1.4 -5,-0.2 -2,-0.2 0.936 108.7 48.5 -72.2 -49.3 11.5 8.5 13.6 45 48 A M H <>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 6,-0.9 0.735 107.9 57.6 -62.0 -26.5 14.0 11.0 15.1 46 49 A E H ><5S+ 0 0 85 -4,-1.9 3,-1.8 4,-0.2 -1,-0.2 0.923 103.3 51.5 -69.4 -44.3 14.4 8.5 18.0 47 50 A R H 3<5S+ 0 0 178 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.825 108.6 52.8 -59.9 -33.6 15.5 5.8 15.5 48 51 A D T 3<5S- 0 0 108 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.503 115.0-119.9 -79.4 -5.0 18.0 8.3 14.2 49 52 A G T < 5S+ 0 0 37 -3,-1.8 16,-0.4 2,-0.2 15,-0.3 0.816 82.4 116.7 68.9 33.1 19.3 8.9 17.7 50 53 A L S - 0 0 10 4,-3.5 3,-2.2 -2,-0.9 -1,-0.0 -0.228 21.8-110.1 -67.1 163.1 11.8 11.7 28.5 55 58 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.898 126.0 63.1 -55.5 -41.1 9.8 10.1 31.3 56 59 A D T 3 S- 0 0 98 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.683 118.9-122.1 -55.3 -18.2 8.7 13.7 31.7 57 60 A R S < S+ 0 0 38 -3,-2.2 -33,-0.7 1,-0.4 2,-0.3 0.580 73.1 129.9 78.8 13.7 7.2 13.1 28.2 58 61 A S B -A 23 0A 8 -35,-0.2 -4,-3.5 -34,-0.1 2,-0.8 -0.682 67.1-108.5 -96.4 152.8 9.4 16.0 27.1 59 62 A L E -B 53 0B 2 -37,-2.5 2,-0.7 -2,-0.3 -6,-0.2 -0.745 30.1-165.8 -89.2 108.9 11.7 15.8 24.1 60 63 A Q E -B 52 0B 110 -8,-3.1 -8,-2.1 -2,-0.8 2,-0.2 -0.852 16.5-138.5 -95.6 113.5 15.3 15.7 25.1 61 64 A M E -B 51 0B 14 -2,-0.7 -10,-0.3 -10,-0.2 -11,-0.1 -0.526 17.2-129.3 -72.1 135.3 17.6 16.3 22.1 62 65 A T > - 0 0 29 -12,-1.6 4,-2.6 -2,-0.2 5,-0.2 -0.269 33.3 -95.9 -75.0 169.6 20.6 14.0 22.0 63 66 A P H > S+ 0 0 108 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.914 127.2 43.9 -54.9 -45.0 24.0 15.7 21.5 64 67 A T H > S+ 0 0 90 -15,-0.3 4,-1.8 1,-0.2 5,-0.2 0.876 113.5 52.1 -67.0 -41.0 24.0 15.1 17.7 65 68 A G H > S+ 0 0 0 -16,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.890 109.4 49.4 -61.5 -39.0 20.4 16.2 17.5 66 69 A R H X S+ 0 0 85 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.803 107.8 54.9 -70.0 -32.4 21.2 19.4 19.4 67 70 A T H X S+ 0 0 89 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.889 111.6 43.4 -67.5 -39.7 24.1 20.1 17.0 68 71 A L H X S+ 0 0 58 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.960 111.6 53.8 -71.0 -48.4 21.9 19.8 14.0 69 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.883 111.2 47.5 -49.3 -43.0 19.2 21.9 15.7 70 73 A T H X S+ 0 0 26 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.847 109.1 51.5 -66.3 -43.6 21.8 24.6 16.3 71 74 A A H X S+ 0 0 17 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.908 111.0 49.2 -62.4 -43.4 23.2 24.6 12.8 72 75 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 112.3 48.1 -63.2 -43.5 19.6 25.0 11.4 73 76 A M H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.878 110.5 51.2 -64.4 -41.3 19.0 27.9 13.9 74 77 A R H X S+ 0 0 12 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.951 112.2 46.6 -60.5 -51.2 22.3 29.5 12.9 75 78 A K H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 112.1 51.1 -57.7 -46.4 21.4 29.3 9.1 76 79 A H H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.927 114.8 43.2 -56.5 -48.2 17.9 30.6 9.8 77 80 A R H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.862 112.7 49.2 -70.8 -36.8 19.3 33.6 11.7 78 81 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.897 111.5 52.3 -66.8 -39.8 22.1 34.4 9.3 79 82 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.3 -2,-0.2 0.915 107.2 51.8 -61.4 -41.9 19.5 34.2 6.6 80 83 A E H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.883 110.1 49.2 -60.5 -43.5 17.3 36.7 8.6 81 84 A R H X S+ 0 0 35 -4,-2.1 4,-2.3 2,-0.2 5,-0.5 0.902 111.3 49.1 -61.5 -46.4 20.3 39.1 8.9 82 85 A L H X>S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 5,-2.0 0.971 113.2 48.0 -56.8 -51.4 20.9 38.7 5.1 83 86 A L H <>S+ 0 0 3 -4,-3.0 6,-3.0 3,-0.2 5,-1.0 0.832 121.1 33.4 -60.0 -40.4 17.2 39.5 4.4 84 87 A T H <5S+ 0 0 31 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.958 125.0 39.0 -82.0 -53.2 16.9 42.5 6.7 85 88 A D H <5S+ 0 0 74 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.779 132.0 11.5 -69.2 -37.7 20.4 44.0 6.3 86 89 A I T <5S+ 0 0 98 -4,-2.4 -3,-0.2 -5,-0.5 -4,-0.1 0.816 132.1 36.7-110.4 -52.4 21.2 43.5 2.6 87 90 A I T > - 0 0 86 1,-0.2 3,-2.6 3,-0.1 4,-1.1 -0.204 38.4-128.6 -44.1 126.3 9.9 43.7 4.7 91 94 A I H 3> S+ 0 0 82 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.827 107.9 61.3 -53.1 -30.4 10.5 42.9 8.4 92 95 A N H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.734 108.8 41.5 -71.3 -19.3 7.1 41.3 8.5 93 96 A K H <> S+ 0 0 98 -3,-2.6 4,-1.9 1,-0.1 -1,-0.2 0.597 91.4 89.2-102.8 -12.0 8.1 38.8 5.9 94 97 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.4 5,-0.2 0.883 83.7 51.0 -53.7 -47.1 11.6 38.1 7.2 95 98 A H H X S+ 0 0 63 -4,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.929 112.4 43.0 -60.8 -52.9 10.8 35.2 9.6 96 99 A D H > S+ 0 0 92 -4,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.856 113.6 52.2 -64.8 -34.1 8.8 33.0 7.2 97 100 A E H >X S+ 0 0 50 -4,-1.9 4,-2.0 1,-0.2 3,-1.1 0.936 110.6 49.0 -66.6 -41.7 11.2 33.6 4.4 98 101 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.809 100.2 64.9 -65.9 -33.7 14.0 32.5 6.7 99 102 A C H 3< S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.744 109.9 39.5 -58.9 -28.4 12.1 29.4 7.8 100 103 A R H X< S+ 0 0 136 -3,-1.1 3,-1.0 -4,-0.7 4,-0.3 0.832 112.9 54.1 -88.3 -40.2 12.4 28.2 4.2 101 104 A W H >X S+ 0 0 75 -4,-2.0 4,-1.5 1,-0.2 3,-1.0 0.701 92.1 73.2 -68.6 -21.9 16.0 29.4 3.7 102 105 A E T 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -26,-0.1 0.763 96.1 51.8 -65.6 -23.7 17.4 27.5 6.7 103 106 A H T <4 S+ 0 0 15 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.568 116.1 36.7 -89.6 -10.9 17.0 24.2 4.9 104 107 A V T <4 S+ 0 0 106 -3,-1.0 2,-0.4 -4,-0.3 -2,-0.2 0.565 85.8 103.5-118.8 -10.8 18.9 25.2 1.7 105 108 A M < - 0 0 19 -4,-1.5 2,-0.1 1,-0.1 -30,-0.1 -0.594 62.4-139.9 -80.4 127.6 21.8 27.5 2.9 106 109 A S > - 0 0 43 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.380 21.3-114.0 -82.1 164.5 25.1 25.7 2.9 107 110 A D H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 118.7 59.2 -61.8 -39.4 27.9 26.1 5.6 108 111 A E H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.835 105.8 45.9 -57.6 -41.6 29.9 27.7 2.8 109 112 A V H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 109.1 57.1 -70.0 -39.2 27.3 30.5 2.3 110 113 A E H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 104.6 51.1 -58.6 -43.8 27.1 31.0 6.1 111 114 A R H X S+ 0 0 49 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.899 109.9 49.3 -61.9 -39.1 30.8 31.7 6.4 112 115 A R H X S+ 0 0 143 -4,-1.3 4,-3.2 1,-0.2 5,-0.3 0.893 109.4 52.6 -67.0 -37.9 30.6 34.3 3.6 113 116 A L H X S+ 0 0 10 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.897 105.5 53.5 -64.0 -40.8 27.6 35.9 5.4 114 117 A V H < S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 114.4 45.2 -59.8 -33.8 29.6 36.1 8.6 115 118 A K H < S+ 0 0 130 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.919 119.0 36.7 -74.7 -51.2 32.2 37.9 6.5 116 119 A V H < S+ 0 0 76 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.782 99.6 90.8 -77.2 -26.3 30.0 40.3 4.6 117 120 A L S < S- 0 0 13 -4,-2.9 3,-0.2 -5,-0.3 -35,-0.1 -0.431 71.6-139.3 -73.7 142.9 27.5 41.0 7.4 118 121 A K S S+ 0 0 103 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.877 86.6 4.2 -67.9 -37.8 28.2 43.9 9.8 119 122 A D + 0 0 79 3,-0.1 -1,-0.3 1,-0.0 3,-0.2 -0.915 50.2 178.2-155.4 123.3 27.2 42.0 12.9 120 123 A V + 0 0 24 -2,-0.3 9,-0.3 -3,-0.2 12,-0.1 0.075 54.2 109.4-112.3 22.2 26.1 38.4 13.4 121 124 A S S S+ 0 0 60 1,-0.1 8,-2.8 7,-0.1 2,-0.3 0.965 86.2 3.1 -61.0 -52.7 25.7 38.6 17.2 122 125 A R B S-C 128 0C 123 6,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 -0.864 73.6 -97.1-139.7 169.4 22.0 38.3 17.0 123 126 A S > - 0 0 5 4,-3.5 3,-2.4 -2,-0.3 -45,-0.1 -0.382 42.8-110.4 -74.0 156.4 18.9 37.9 14.9 124 127 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -47,-0.0 0.808 121.8 58.9 -62.3 -17.2 16.8 41.0 13.9 125 128 A F T 3 S- 0 0 94 2,-0.1 -2,-0.0 1,-0.0 -30,-0.0 0.303 123.2-101.8 -94.0 8.0 14.3 39.5 16.3 126 129 A G S < S+ 0 0 33 -3,-2.4 -1,-0.0 1,-0.3 0, 0.0 0.130 81.2 116.0 102.8 -27.5 16.6 39.6 19.3 127 130 A N - 0 0 69 1,-0.1 -4,-3.5 -5,-0.1 -1,-0.3 -0.594 68.7-107.0 -81.1 146.5 17.9 36.1 19.9 128 131 A P B -C 122 0C 63 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.327 30.1-110.9 -70.2 150.6 21.6 35.5 19.5 129 132 A I - 0 0 11 -8,-2.8 3,-0.4 -9,-0.3 2,-0.1 -0.763 42.3-150.7 -84.5 116.5 22.9 33.5 16.5 130 133 A P + 0 0 17 0, 0.0 -53,-0.1 0, 0.0 -1,-0.0 -0.410 62.0 29.9 -87.0 166.6 24.2 30.2 17.8 131 134 A G > + 0 0 21 -2,-0.1 4,-1.6 1,-0.1 5,-0.2 0.596 64.0 137.3 65.7 18.0 26.9 27.8 16.7 132 135 A L H >>S+ 0 0 33 -3,-0.4 4,-1.2 1,-0.2 5,-1.1 0.856 74.9 52.6 -63.1 -30.5 29.2 30.4 15.2 133 136 A D H 45S+ 0 0 148 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.907 107.4 50.0 -69.8 -43.6 32.1 28.5 16.8 134 137 A E H 45S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.771 106.2 56.4 -68.6 -22.6 31.1 25.2 15.3 135 138 A L H <5S- 0 0 6 -4,-1.6 -1,-0.2 -25,-0.0 -2,-0.2 0.826 114.4-120.2 -73.7 -33.2 30.8 26.8 11.9 136 139 A G T <5 0 0 34 -4,-1.2 -3,-0.2 -3,-0.2 79,-0.1 0.924 360.0 360.0 89.8 59.2 34.4 27.9 12.2 137 140 A V < 0 0 79 -5,-1.1 -4,-0.2 -23,-0.0 -5,-0.1 0.302 360.0 360.0-137.7 360.0 34.2 31.7 11.9 138 ! 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 80 0, 0.0 73,-0.1 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 105.7 38.5 21.6 15.2 140 149 A G - 0 0 35 -6,-0.1 2,-0.4 17,-0.1 74,-0.2 -0.165 360.0 -61.2 97.1 162.8 38.7 22.4 11.5 141 150 A T E -D 213 0D 60 72,-1.5 72,-3.3 -2,-0.1 16,-0.2 -0.704 56.0-115.1 -85.3 130.2 38.0 20.2 8.6 142 151 A R E > -D 212 0D 101 -2,-0.4 4,-2.4 70,-0.3 70,-0.3 -0.331 19.6-123.0 -62.6 145.0 40.2 17.2 8.2 143 152 A V H > S+ 0 0 0 68,-2.9 4,-1.5 64,-0.2 66,-0.2 0.893 111.9 60.5 -55.7 -40.1 42.5 17.2 5.1 144 153 A I H >4 S+ 0 0 58 64,-2.1 3,-0.5 67,-0.3 -1,-0.2 0.943 115.1 32.0 -52.3 -52.5 40.9 13.9 4.2 145 154 A D H 34 S+ 0 0 124 1,-0.2 -1,-0.2 63,-0.2 -2,-0.2 0.694 121.0 52.2 -79.1 -22.9 37.4 15.4 4.0 146 155 A A H 3< S+ 0 0 13 -4,-2.4 2,-0.8 -5,-0.1 -1,-0.2 0.473 78.8 114.0 -92.3 -5.7 38.7 18.8 2.9 147 156 A A << - 0 0 19 -4,-1.5 2,-0.3 -3,-0.5 41,-0.1 -0.588 48.7-169.0 -73.4 105.6 40.7 17.4 -0.0 148 157 A T - 0 0 70 -2,-0.8 40,-0.6 2,-0.2 4,-0.1 -0.701 29.5-126.5 -93.3 147.9 39.1 18.7 -3.2 149 158 A S S S+ 0 0 74 -2,-0.3 -1,-0.1 38,-0.3 39,-0.1 0.758 100.4 64.8 -63.0 -27.9 40.2 17.3 -6.6 150 159 A M S S- 0 0 62 37,-0.1 -2,-0.2 1,-0.1 36,-0.0 -0.887 105.3-100.2 -99.3 126.5 40.9 20.9 -7.8 151 160 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 36,-0.2 0.036 48.0 175.2 -41.9 150.9 43.7 22.7 -5.8 152 161 A R E -E 186 0D 94 34,-0.9 34,-1.5 -4,-0.1 2,-0.4 -0.977 26.0-124.4-158.5 156.4 42.7 25.1 -3.0 153 162 A K E +E 185 0D 93 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.909 35.4 156.1-111.5 141.2 44.3 27.2 -0.3 154 163 A V E -E 184 0D 6 30,-2.2 30,-2.4 -2,-0.4 2,-0.5 -0.867 41.1-102.7-147.7 179.2 43.5 26.9 3.4 155 164 A R E -EF 183 214D 107 59,-2.2 59,-3.6 -2,-0.3 28,-0.2 -0.951 35.9-119.2-114.8 125.9 45.0 27.6 6.8 156 165 A I E - F 0 213D 1 26,-2.5 25,-2.0 -2,-0.5 57,-0.2 -0.478 26.2-174.4 -64.2 129.2 46.3 24.7 8.8 157 166 A V E - 0 0 38 55,-3.5 2,-0.3 1,-0.4 -1,-0.2 0.793 67.4 -14.1 -90.5 -41.8 44.2 24.6 12.1 158 167 A Q E - F 0 212D 51 54,-1.1 54,-1.7 1,-0.1 -1,-0.4 -0.984 41.5-154.7-162.3 152.8 46.3 21.8 13.6 159 168 A I - 0 0 5 -2,-0.3 -1,-0.1 52,-0.2 51,-0.1 0.777 26.4-151.0 -98.4 -37.8 48.9 19.1 12.8 160 169 A N > + 0 0 29 1,-0.1 3,-0.7 2,-0.1 4,-0.1 0.925 32.9 159.5 61.5 51.4 48.2 16.5 15.5 161 170 A E G > + 0 0 98 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.827 67.1 69.6 -69.5 -31.4 51.7 15.2 15.7 162 171 A I G 3 S+ 0 0 143 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.824 100.0 46.1 -57.5 -32.2 50.9 13.9 19.2 163 172 A F G < S+ 0 0 146 -3,-0.7 -1,-0.3 47,-0.1 2,-0.2 0.374 91.5 109.6 -94.0 4.0 48.5 11.3 17.7 164 173 A Q < + 0 0 19 -3,-1.7 3,-0.1 1,-0.2 -3,-0.0 -0.567 37.9 177.9 -86.6 140.8 50.9 10.1 15.0 165 174 A V S S+ 0 0 133 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.764 79.0 61.3 -99.8 -49.7 52.6 6.7 15.0 166 175 A E + 0 0 105 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 -0.677 60.0 168.7 -79.6 119.9 54.4 7.3 11.7 167 176 A T > + 0 0 73 -2,-0.5 3,-1.4 1,-0.1 4,-0.4 0.212 40.6 110.2-118.4 13.6 56.7 10.3 12.2 168 177 A D T 3 S+ 0 0 123 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.533 80.5 47.2 -68.3 -9.1 58.7 10.1 9.0 169 178 A Q T 3> S+ 0 0 17 -3,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.328 80.2 97.3-113.3 3.0 57.1 13.2 7.4 170 179 A F H <> S+ 0 0 54 -3,-1.4 4,-1.4 1,-0.2 -2,-0.1 0.909 90.3 43.8 -57.9 -43.7 57.4 15.5 10.4 171 180 A T H > S+ 0 0 87 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.829 106.8 60.8 -72.3 -32.2 60.6 17.0 9.0 172 181 A Q H > S+ 0 0 75 1,-0.2 4,-3.3 2,-0.2 6,-0.2 0.968 105.2 48.8 -55.5 -53.1 59.1 17.2 5.5 173 182 A L H <>S+ 0 0 7 -4,-2.3 5,-2.8 1,-0.2 -1,-0.2 0.873 112.6 47.8 -53.8 -43.3 56.4 19.5 6.9 174 183 A L H ><5S+ 0 0 88 -4,-1.4 3,-0.9 3,-0.2 -1,-0.2 0.893 113.7 45.6 -69.0 -39.5 59.1 21.7 8.7 175 184 A D H 3<5S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.933 112.0 52.9 -67.3 -42.8 61.3 21.9 5.5 176 185 A A T 3<5S- 0 0 1 -4,-3.3 23,-0.3 -5,-0.3 -1,-0.3 0.449 113.6-125.1 -69.6 -3.6 58.1 22.6 3.5 177 186 A D T < 5 + 0 0 48 -3,-0.9 2,-0.8 -5,-0.2 -3,-0.2 0.684 59.4 149.9 64.5 22.6 57.5 25.4 6.1 178 187 A I < + 0 0 3 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.763 12.7 137.9 -93.7 106.1 54.0 23.9 6.8 179 188 A R > - 0 0 101 -2,-0.8 3,-2.2 -3,-0.1 -23,-0.3 -0.703 62.1 -55.4-133.1-176.8 52.8 24.5 10.3 180 189 A V T 3 S+ 0 0 85 1,-0.3 -23,-0.2 -2,-0.2 3,-0.1 -0.493 128.5 23.7 -67.4 125.1 49.6 25.5 12.2 181 190 A G T 3 S+ 0 0 41 -25,-2.0 -1,-0.3 1,-0.4 2,-0.2 0.286 92.0 137.0 100.5 -7.9 48.4 28.7 10.7 182 191 A S < - 0 0 18 -3,-2.2 -26,-2.5 -27,-0.1 2,-0.7 -0.537 54.7-132.8 -75.4 133.0 50.2 28.1 7.5 183 192 A E E +E 155 0D 115 -2,-0.2 2,-0.3 -28,-0.2 -28,-0.2 -0.806 39.8 175.7 -86.2 118.6 48.3 28.9 4.3 184 193 A V E -E 154 0D 0 -30,-2.4 -30,-2.2 -2,-0.7 12,-0.2 -0.877 32.3-117.7-129.1 162.0 48.7 25.9 2.1 185 194 A E E -EG 153 195D 62 10,-2.9 10,-0.6 -2,-0.3 2,-0.3 -0.563 32.8-173.3 -90.0 153.9 47.6 24.5 -1.2 186 195 A I E +E 152 0D 2 -34,-1.5 -34,-0.9 8,-0.2 2,-0.3 -0.844 11.7 161.7-139.4 176.4 45.7 21.2 -1.4 187 196 A V - 0 0 31 6,-0.4 6,-0.7 -2,-0.3 -38,-0.3 -0.874 30.9-112.0 172.4 159.3 44.4 18.8 -4.0 188 197 A D 0 0 83 -40,-0.6 4,-0.1 -2,-0.3 -40,-0.1 -0.692 360.0 360.0-108.2 163.1 43.1 15.2 -4.3 189 198 A R 0 0 93 -2,-0.2 3,-0.2 -42,-0.1 -1,-0.1 0.109 360.0 360.0 176.6 360.0 44.7 12.1 -6.0 190 ! 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 0.0 191 201 A H 0 0 44 0, 0.0 2,-0.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 150.6 47.8 10.6 -2.8 192 202 A I - 0 0 16 11,-0.4 11,-2.1 -3,-0.2 2,-0.4 -0.754 360.0-158.7 -87.0 119.1 46.8 13.9 -1.1 193 203 A T E - H 0 202D 24 -6,-0.7 2,-0.5 -2,-0.6 -6,-0.4 -0.818 10.3-166.1-103.5 137.5 49.4 16.6 -1.7 194 204 A L E - H 0 201D 0 7,-2.7 7,-2.0 -2,-0.4 2,-0.2 -0.934 15.2-165.6-124.7 100.8 49.8 19.7 0.5 195 205 A S E +GH 185 200D 23 -10,-0.6 -10,-2.9 -2,-0.5 5,-0.3 -0.618 21.5 140.3 -92.3 150.4 51.9 22.3 -1.1 196 206 A H E > + H 0 199D 44 3,-3.0 3,-2.0 -2,-0.2 -18,-0.1 -0.861 63.1 15.9 179.8 147.3 53.5 25.3 0.5 197 207 A N T 3 S- 0 0 96 1,-0.3 3,-0.1 -2,-0.3 -19,-0.0 0.812 129.0 -61.1 47.6 38.5 56.8 27.2 0.3 198 208 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -22,-0.0 2,-0.2 0.115 116.8 112.8 80.1 -23.9 57.5 25.6 -3.0 199 209 A K E < -H 196 0D 103 -3,-2.0 -3,-3.0 -23,-0.3 2,-0.5 -0.583 55.1-154.3 -83.8 142.6 57.5 22.2 -1.2 200 210 A D E -H 195 0D 105 -5,-0.3 2,-0.6 -2,-0.2 -5,-0.3 -0.983 7.9-160.6-113.7 125.6 54.7 19.7 -2.0 201 211 A V E -H 194 0D 2 -7,-2.0 -7,-2.7 -2,-0.5 2,-1.1 -0.938 5.0-158.6-112.5 112.7 54.0 17.2 0.8 202 212 A E E -H 193 0D 114 -2,-0.6 -9,-0.3 -9,-0.3 -2,-0.0 -0.807 24.3-148.2 -91.1 101.0 52.2 14.1 -0.3 203 213 A L - 0 0 9 -11,-2.1 -11,-0.4 -2,-1.1 2,-0.3 -0.126 2.6-127.5 -64.0 163.9 50.8 13.0 3.0 204 214 A L > - 0 0 108 -13,-0.1 4,-2.5 1,-0.0 3,-0.3 -0.721 38.2 -87.8-110.6 161.1 50.2 9.4 4.0 205 215 A D H > S+ 0 0 121 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.809 122.7 47.9 -35.4 -56.3 46.9 8.0 5.3 206 216 A D H >> S+ 0 0 99 1,-0.2 4,-0.6 2,-0.2 3,-0.6 0.936 114.7 43.5 -59.7 -48.3 47.4 8.8 9.0 207 217 A L H >> S+ 0 0 6 -3,-0.3 4,-2.0 1,-0.2 3,-1.0 0.882 109.9 59.6 -64.5 -34.8 48.5 12.4 8.5 208 218 A A H 3< S+ 0 0 4 -4,-2.5 -64,-2.1 1,-0.3 -1,-0.2 0.811 107.4 44.9 -62.5 -32.7 45.7 12.8 6.0 209 219 A H H << S+ 0 0 79 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.513 118.9 41.5 -90.3 -6.0 43.0 11.9 8.5 210 220 A T H << S+ 0 0 23 -3,-1.0 2,-0.4 -4,-0.6 -2,-0.2 0.642 86.1 88.2-116.5 -23.2 44.5 14.1 11.3 211 221 A I < - 0 0 2 -4,-2.0 -68,-2.9 -5,-0.1 2,-0.6 -0.703 66.4-148.8 -79.6 131.7 45.6 17.4 10.0 212 222 A R E -DF 142 158D 50 -54,-1.7 -55,-3.5 -2,-0.4 -54,-1.1 -0.921 6.2-155.9-110.6 118.6 42.7 19.9 10.0 213 223 A I E -DF 141 156D 2 -72,-3.3 -72,-1.5 -2,-0.6 2,-0.3 -0.799 7.7-143.4 -96.3 129.0 42.4 22.6 7.4 214 224 A E E F 0 155D 70 -59,-3.6 -59,-2.2 -2,-0.4 -78,-0.1 -0.717 360.0 360.0 -87.1 136.9 40.4 25.9 8.0 215 225 A E 0 0 65 -2,-0.3 -61,-0.1 -61,-0.2 -1,-0.1 -0.402 360.0 360.0 -68.4 360.0 38.6 27.2 5.0