==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN/TOXIN 26-JUN-12 4FR3 . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.OTTMANN,C.ANDERS,B.SCHUMACHER . 233 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 77.7 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 0 0 0 1 0 0 1 1 1 0 0 2 0 0 0 0 2 0 0 0 1 0 0 0 0 1 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 -3 A A 0 0 140 0, 0.0 3,-0.2 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 29.6 -42.7 -9.4 -6.0 2 -2 A M > + 0 0 49 1,-0.1 3,-1.5 26,-0.1 8,-0.1 0.238 360.0 110.6-115.8 8.1 -40.6 -11.7 -8.3 3 -1 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.1 32,-0.0 0, 0.0 0.740 75.0 52.5 -60.8 -26.4 -43.4 -14.2 -8.9 4 0 A S T 3 S+ 0 0 123 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.558 92.0 89.7 -89.4 -10.6 -43.8 -13.2 -12.6 5 1 A M S < S- 0 0 61 -3,-1.5 2,-0.0 1,-0.1 5,-0.0 -0.737 84.9-105.8 -88.2 144.1 -40.0 -13.6 -13.6 6 2 A E > - 0 0 141 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.328 25.3-121.7 -57.6 142.7 -38.6 -16.9 -14.9 7 3 A R H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 114.1 50.9 -51.2 -47.9 -36.4 -18.7 -12.4 8 4 A A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 109.0 51.0 -65.0 -35.9 -33.4 -18.6 -14.9 9 5 A S H > S+ 0 0 54 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.875 107.8 52.8 -65.0 -43.1 -33.9 -14.8 -15.3 10 6 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 111.4 46.5 -57.8 -43.5 -33.8 -14.3 -11.6 11 7 A I H X S+ 0 0 12 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.926 112.7 48.7 -65.0 -47.0 -30.6 -16.2 -11.3 12 8 A Q H X S+ 0 0 96 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.938 112.2 49.2 -59.3 -41.5 -29.0 -14.4 -14.2 13 9 A K H X S+ 0 0 79 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.867 106.7 55.8 -64.0 -37.1 -30.1 -11.0 -12.6 14 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.915 108.5 48.4 -60.7 -42.1 -28.6 -12.1 -9.2 15 11 A K H X S+ 0 0 62 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.906 112.6 48.1 -64.6 -41.9 -25.3 -12.6 -11.1 16 12 A L H X S+ 0 0 103 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.915 110.7 50.6 -61.7 -48.7 -25.6 -9.2 -12.7 17 13 A A H <>S+ 0 0 7 -4,-3.1 5,-3.0 2,-0.2 -2,-0.2 0.885 107.9 54.2 -58.0 -40.9 -26.5 -7.5 -9.3 18 14 A E H ><5S+ 0 0 61 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.931 108.6 47.9 -56.7 -48.5 -23.4 -9.2 -7.8 19 15 A Q H 3<5S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 115.0 46.6 -61.4 -33.8 -21.1 -7.7 -10.5 20 16 A A T 3<5S- 0 0 65 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.383 111.5-124.0 -89.0 0.4 -22.8 -4.3 -9.9 21 17 A E T < 5 + 0 0 144 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.837 64.5 141.5 53.5 42.1 -22.4 -4.7 -6.1 22 18 A R >< + 0 0 146 -5,-3.0 4,-2.5 1,-0.2 -1,-0.2 -0.720 19.6 168.2-105.6 80.2 -26.1 -4.2 -5.7 23 19 A Y H > + 0 0 57 -2,-0.8 4,-2.4 1,-0.2 32,-0.2 0.772 68.5 55.5 -77.1 -30.8 -26.5 -6.8 -2.9 24 20 A E H > S+ 0 0 140 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 112.8 45.2 -61.3 -44.2 -30.1 -6.0 -1.8 25 21 A D H > S+ 0 0 58 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.927 111.6 52.8 -59.0 -50.7 -31.2 -6.5 -5.4 26 22 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 110.9 47.5 -49.8 -43.6 -29.1 -9.7 -5.5 27 23 A A H X S+ 0 0 5 -4,-2.4 4,-2.5 24,-0.2 5,-0.2 0.921 111.3 49.7 -70.3 -38.1 -30.8 -11.0 -2.3 28 24 A A H X S+ 0 0 39 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.901 110.7 49.6 -67.5 -39.2 -34.3 -10.2 -3.6 29 25 A F H X S+ 0 0 30 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.921 113.8 46.8 -61.1 -47.0 -33.6 -12.0 -7.0 30 26 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.859 109.3 52.9 -65.3 -36.5 -32.3 -15.1 -5.0 31 27 A K H X S+ 0 0 66 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.936 110.5 49.1 -59.7 -47.1 -35.3 -15.0 -2.6 32 28 A G H < S+ 0 0 4 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.902 110.7 50.4 -63.2 -41.5 -37.5 -15.1 -5.8 33 29 A A H >< S+ 0 0 0 -4,-2.3 3,-1.2 2,-0.2 5,-0.4 0.930 110.9 48.1 -60.0 -47.9 -35.5 -18.0 -7.2 34 30 A V H >< S+ 0 0 9 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.917 105.0 59.9 -57.0 -42.0 -35.8 -20.0 -4.0 35 31 A E T 3< S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.584 83.4 81.1 -69.5 -9.9 -39.6 -19.3 -3.9 36 32 A K T < S- 0 0 67 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.649 103.0-128.7 -65.7 -19.3 -39.9 -21.1 -7.3 37 33 A G < + 0 0 68 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.305 67.3 122.5 96.3 -9.5 -39.8 -24.2 -5.2 38 34 A E S S- 0 0 124 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.555 70.6-103.0 -82.1 152.2 -37.0 -26.1 -7.1 39 35 A E - 0 0 122 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.366 40.9-116.5 -70.0 154.1 -33.8 -27.2 -5.2 40 36 A L - 0 0 8 65,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.728 20.4-128.3 -92.0 148.8 -30.8 -24.9 -5.7 41 37 A S > - 0 0 53 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.276 36.0 -93.5 -74.8 173.4 -27.6 -26.1 -7.4 42 38 A X H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.931 127.7 46.0 -52.5 -54.7 -24.1 -25.6 -5.9 43 39 A E H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 113.1 50.5 -59.2 -41.0 -23.5 -22.3 -7.8 44 40 A E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 107.8 52.0 -68.6 -35.7 -27.1 -21.0 -6.9 45 41 A R H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 108.8 52.6 -65.8 -40.0 -26.7 -21.8 -3.1 46 42 A N H X S+ 0 0 65 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.912 109.3 48.8 -60.0 -43.2 -23.4 -19.8 -3.3 47 43 A L H X S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.915 111.1 49.4 -61.9 -42.3 -25.3 -16.8 -4.9 48 44 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.924 113.7 46.4 -62.2 -46.1 -28.0 -16.9 -2.2 49 45 A S H X S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.935 112.5 48.7 -69.8 -38.7 -25.4 -17.0 0.6 50 46 A V H X S+ 0 0 45 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.888 110.1 52.8 -66.1 -39.8 -23.3 -14.2 -0.8 51 47 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -24,-0.2 0.975 116.6 36.1 -63.4 -58.4 -26.3 -11.9 -1.4 52 48 A Y H X S+ 0 0 13 -4,-2.1 4,-3.1 1,-0.2 5,-0.4 0.876 113.5 57.7 -67.1 -32.7 -27.7 -12.1 2.2 53 49 A K H X S+ 0 0 38 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.893 110.9 44.7 -64.8 -42.9 -24.2 -12.3 3.8 54 50 A N H X S+ 0 0 69 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.921 114.1 48.2 -65.3 -43.3 -23.4 -8.9 2.2 55 51 A V H X S+ 0 0 18 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.957 118.2 39.2 -60.3 -55.0 -26.8 -7.4 3.1 56 52 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.808 109.8 62.3 -67.3 -29.7 -26.7 -8.4 6.8 57 53 A G H X S+ 0 0 27 -4,-1.5 4,-2.1 -5,-0.4 -1,-0.2 0.923 105.8 46.3 -60.2 -44.6 -22.9 -7.6 6.8 58 54 A G H X S+ 0 0 45 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.897 113.6 48.2 -60.2 -48.8 -23.8 -4.0 6.1 59 55 A Q H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.890 112.8 48.3 -61.2 -40.2 -26.6 -3.9 8.7 60 56 A R H X S+ 0 0 8 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.917 110.6 50.7 -69.6 -39.4 -24.3 -5.5 11.4 61 57 A A H X S+ 0 0 41 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 114.2 45.0 -61.8 -50.3 -21.5 -3.0 10.6 62 58 A A H X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.901 110.9 53.4 -60.0 -44.9 -23.9 -0.1 11.0 63 59 A W H X S+ 0 0 39 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.901 108.5 50.6 -57.4 -39.0 -25.5 -1.6 14.2 64 60 A R H X S+ 0 0 87 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.886 109.5 49.6 -66.9 -41.4 -22.0 -1.8 15.7 65 61 A V H X S+ 0 0 88 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.938 116.1 43.0 -59.1 -48.2 -21.2 1.8 14.9 66 62 A L H X S+ 0 0 20 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.885 113.0 52.1 -69.2 -38.1 -24.6 3.0 16.4 67 63 A S H X S+ 0 0 25 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.879 111.2 48.1 -61.3 -41.2 -24.2 0.7 19.4 68 64 A S H X S+ 0 0 81 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.962 112.1 47.3 -66.2 -54.6 -20.8 2.1 20.1 69 65 A I H X S+ 0 0 92 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 113.5 51.1 -45.4 -47.2 -22.0 5.7 19.7 70 66 A E H X S+ 0 0 16 -4,-2.9 4,-0.7 2,-0.2 -2,-0.2 0.927 105.9 53.4 -64.1 -49.4 -25.0 4.8 22.1 71 67 A Q H >< S+ 0 0 115 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.948 107.9 50.3 -48.5 -57.0 -22.7 3.3 24.8 72 68 A K H 3< S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 104.6 61.5 -47.2 -41.9 -20.7 6.5 24.9 73 69 A S H 3< 0 0 73 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.615 360.0 360.0 -63.8 -17.1 -24.1 8.4 25.3 74 70 A N << 0 0 146 -3,-1.7 0, 0.0 -4,-0.7 0, 0.0 -0.754 360.0 360.0 -89.8 360.0 -24.9 6.6 28.6 75 ! 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 76 78 A K 0 0 105 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-167.1 -31.3 12.5 23.6 77 79 A P > + 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.489 360.0 96.1 -75.3 -3.0 -33.3 9.4 22.3 78 80 A E H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 81.6 45.0 -67.6 -44.3 -32.0 9.6 18.7 79 81 A V H > S+ 0 0 32 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.948 116.6 47.1 -65.3 -42.2 -29.1 7.2 18.7 80 82 A R H > S+ 0 0 101 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.918 114.2 47.4 -63.1 -43.4 -31.1 4.6 20.6 81 83 A E H X S+ 0 0 100 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.896 114.9 45.1 -64.6 -41.8 -34.1 5.0 18.4 82 84 A Y H X S+ 0 0 123 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.895 111.7 51.7 -70.6 -35.6 -31.9 4.8 15.2 83 85 A R H X S+ 0 0 37 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.917 110.1 51.6 -65.1 -40.2 -30.0 1.8 16.5 84 86 A E H X S+ 0 0 76 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.863 107.9 50.8 -60.0 -42.6 -33.4 0.2 17.2 85 87 A K H X S+ 0 0 139 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.906 113.9 44.3 -60.7 -50.1 -34.6 0.9 13.6 86 88 A V H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.922 112.5 53.5 -63.4 -43.7 -31.4 -0.7 12.1 87 89 A E H X S+ 0 0 28 -4,-3.1 4,-2.9 -5,-0.2 -2,-0.2 0.912 108.1 48.6 -55.5 -43.1 -31.8 -3.5 14.6 88 90 A T H X S+ 0 0 93 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.897 111.8 50.7 -61.8 -40.2 -35.4 -4.2 13.5 89 91 A E H X S+ 0 0 98 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.901 111.1 46.9 -65.0 -45.0 -34.3 -4.2 9.8 90 92 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.928 111.2 53.0 -64.2 -44.4 -31.4 -6.6 10.5 91 93 A Q H X S+ 0 0 60 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.893 107.5 51.3 -57.1 -39.9 -33.9 -8.8 12.4 92 94 A G H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.899 109.3 50.2 -69.1 -35.6 -36.3 -8.8 9.5 93 95 A V H X S+ 0 0 24 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.955 111.8 47.3 -64.0 -45.4 -33.5 -9.9 7.1 94 96 A C H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.936 112.2 51.0 -63.1 -42.3 -32.5 -12.8 9.4 95 97 A D H X S+ 0 0 95 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.881 109.1 51.3 -59.6 -38.3 -36.1 -13.8 9.7 96 98 A T H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.949 112.8 44.4 -63.7 -45.2 -36.5 -13.8 5.9 97 99 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.950 113.9 50.0 -65.5 -47.4 -33.4 -16.0 5.4 98 100 A L H X S+ 0 0 16 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.884 109.4 52.0 -61.2 -36.2 -34.5 -18.3 8.2 99 101 A G H X S+ 0 0 35 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.866 108.8 50.1 -66.2 -37.7 -38.0 -18.6 6.7 100 102 A L H <>S+ 0 0 11 -4,-2.1 5,-1.8 2,-0.2 -2,-0.2 0.905 112.3 47.3 -64.9 -44.7 -36.4 -19.5 3.3 101 103 A L H <>S+ 0 0 2 -4,-2.5 5,-2.7 1,-0.2 6,-0.4 0.884 117.9 42.4 -62.9 -40.2 -34.3 -22.3 5.0 102 104 A D H <5S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.692 106.1 67.2 -77.7 -26.1 -37.4 -23.5 6.9 103 105 A S T <5S- 0 0 64 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.573 132.3 -55.7-132.4 72.8 -39.8 -23.3 3.9 104 106 A H T >5S+ 0 0 123 -3,-0.4 4,-1.8 -2,-0.1 -3,-0.2 -0.669 110.8 96.2-154.1 37.7 -38.4 -25.4 2.4 105 107 A L H >4 S- 0 0 121 1,-0.1 4,-2.9 4,-0.0 3,-0.2 -0.578 81.9-123.5 -82.5 146.0 -27.1 -34.4 -0.1 112 114 A A H > S+ 0 0 22 1,-0.2 4,-2.9 -2,-0.2 5,-0.4 0.891 109.0 53.2 -51.6 -48.1 -24.5 -33.6 2.5 113 115 A E H > S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.846 115.7 39.9 -63.1 -36.6 -23.1 -30.6 0.6 114 116 A S H > S+ 0 0 8 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 118.1 46.5 -74.9 -46.6 -26.6 -29.0 0.4 115 117 A R H X S+ 0 0 64 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.935 115.0 44.7 -65.6 -41.7 -27.8 -30.0 3.9 116 118 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.890 112.2 54.3 -66.6 -42.2 -24.7 -28.9 5.7 117 119 A F H X S+ 0 0 20 -4,-1.2 4,-2.1 -5,-0.4 -2,-0.2 0.944 112.6 42.2 -54.6 -49.6 -24.6 -25.6 3.7 118 120 A Y H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.863 113.6 51.9 -69.2 -38.3 -28.2 -24.7 4.7 119 121 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.878 108.4 51.6 -66.2 -40.7 -27.6 -25.8 8.3 120 122 A K H X S+ 0 0 24 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.941 110.5 48.7 -54.4 -50.2 -24.5 -23.6 8.5 121 123 A M H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.907 109.5 52.8 -57.5 -44.2 -26.6 -20.6 7.1 122 124 A K H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.939 111.4 46.2 -58.0 -43.1 -29.3 -21.4 9.7 123 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.930 112.7 51.2 -62.7 -44.4 -26.7 -21.3 12.5 124 126 A D H X S+ 0 0 2 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.915 110.2 47.3 -58.1 -46.6 -25.2 -18.0 11.0 125 127 A Y H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.870 113.0 47.5 -75.5 -33.5 -28.6 -16.1 10.9 126 128 A Y H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.879 109.8 55.5 -66.3 -38.8 -29.6 -17.2 14.4 127 129 A R H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.928 106.7 49.4 -57.5 -43.3 -26.1 -16.1 15.5 128 130 A Y H X S+ 0 0 1 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.891 110.6 50.2 -61.0 -39.2 -26.7 -12.6 13.9 129 131 A L H >X S+ 0 0 12 -4,-1.8 3,-1.0 1,-0.2 4,-1.0 0.891 109.2 52.4 -61.0 -40.0 -30.0 -12.5 15.8 130 132 A A H 3< S+ 0 0 2 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.814 97.2 66.7 -68.8 -28.1 -28.1 -13.4 19.0 131 133 A E H 3< S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.7 27.4 -58.6 -29.2 -25.6 -10.5 18.4 132 134 A V H << S+ 0 0 5 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.470 95.4 116.1-109.9 -5.6 -28.4 -8.0 19.1 133 135 A A < + 0 0 13 -4,-1.0 -3,-0.0 -3,-0.2 -4,-0.0 -0.351 18.3 152.8 -79.3 142.9 -30.7 -10.1 21.4 134 136 A T + 0 0 130 -2,-0.1 -1,-0.1 0, 0.0 5,-0.1 0.378 46.4 96.4-134.7 -15.7 -31.4 -8.9 25.0 135 137 A G S > S- 0 0 42 1,-0.1 3,-1.5 2,-0.1 4,-0.3 0.284 95.2 -73.5 -73.0-169.5 -34.9 -10.4 25.7 136 138 A D T 3 S+ 0 0 156 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.521 131.2 50.9 -53.4 -12.2 -36.6 -13.4 27.4 137 139 A D T 3> + 0 0 82 2,-0.1 4,-2.2 1,-0.1 -1,-0.2 0.283 69.7 101.6-126.1 12.4 -35.4 -15.2 24.3 138 140 A K H <> S+ 0 0 75 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.904 89.6 50.4 -52.3 -39.9 -31.7 -14.4 23.9 139 141 A K H > S+ 0 0 87 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.893 110.3 46.7 -74.9 -36.0 -31.1 -17.9 25.3 140 142 A R H > S+ 0 0 165 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.841 111.4 51.9 -74.4 -30.3 -33.4 -19.7 23.0 141 143 A I H X S+ 0 0 23 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.948 111.3 47.4 -67.3 -47.3 -31.9 -17.8 20.0 142 144 A I H X S+ 0 0 21 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.892 111.6 51.8 -54.2 -44.8 -28.4 -18.9 21.1 143 145 A D H < S+ 0 0 82 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.856 107.3 52.1 -58.0 -43.3 -29.7 -22.4 21.5 144 146 A S H < S+ 0 0 47 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.901 110.0 48.5 -65.6 -43.2 -31.1 -22.4 18.0 145 147 A A H < 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.972 360.0 360.0 -58.1 -53.7 -27.8 -21.3 16.5 146 148 A R < 0 0 98 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.903 360.0 360.0 -54.8 360.0 -25.9 -24.0 18.5 147 ! 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 0.0 148 150 A A > 0 0 21 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -48.0 -28.2 -25.8 13.8 149 151 A Y H > + 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -3,-0.2 0.877 360.0 52.7 -64.5 -35.8 -24.3 -25.7 13.8 150 152 A Q H > S+ 0 0 87 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.919 109.2 47.6 -67.3 -46.0 -24.2 -29.0 15.7 151 153 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 113.3 49.2 -59.7 -41.8 -26.4 -30.8 13.3 152 154 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.910 111.5 48.9 -61.5 -44.5 -24.3 -29.4 10.4 153 155 A M H X S+ 0 0 10 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.896 109.1 52.5 -62.2 -43.2 -21.1 -30.5 12.2 154 156 A D H X S+ 0 0 90 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.943 113.8 43.1 -61.8 -46.4 -22.4 -34.1 12.8 155 157 A I H X S+ 0 0 34 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.925 113.0 52.3 -61.5 -45.9 -23.3 -34.5 9.1 156 158 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.841 107.5 50.8 -64.9 -35.9 -20.1 -33.0 7.8 157 159 A K H < S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.0 41.4 -71.7 -30.3 -17.9 -35.2 9.9 158 160 A K H < S+ 0 0 106 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.851 129.3 24.5 -77.3 -36.4 -19.8 -38.3 8.6 159 161 A E H < S+ 0 0 130 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.519 109.8 56.7-114.4 -9.5 -20.1 -37.2 5.0 160 162 A M S < S- 0 0 15 -4,-2.1 -1,-0.0 -5,-0.3 0, 0.0 -0.949 78.2-106.5-130.9 149.7 -17.4 -34.8 3.9 161 163 A P > - 0 0 65 0, 0.0 3,-1.9 0, 0.0 6,-0.2 -0.361 37.0-111.2 -66.7 157.9 -13.6 -34.8 3.9 162 164 A P T 3 S+ 0 0 34 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.652 117.6 54.2 -65.1 -16.5 -11.9 -32.6 6.5 163 165 A T T 3 S+ 0 0 3 35,-0.1 55,-0.1 36,-0.1 36,-0.1 0.361 74.2 126.8 -93.8 -2.3 -10.7 -30.2 3.7 164 166 A N <> - 0 0 35 -3,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.387 62.4-135.6 -60.6 126.7 -14.2 -29.6 2.2 165 167 A P H > S+ 0 0 40 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.861 103.2 51.7 -58.1 -33.1 -14.6 -25.8 2.1 166 168 A I H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 111.0 47.3 -71.3 -41.2 -18.2 -25.9 3.5 167 169 A R H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 113.9 48.8 -61.4 -42.3 -17.0 -28.1 6.4 168 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.917 112.5 46.4 -61.4 -45.8 -14.1 -25.7 7.1 169 171 A G H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 67,-0.3 0.897 109.7 55.8 -66.5 -39.3 -16.3 -22.6 7.0 170 172 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.924 110.4 43.9 -55.0 -46.7 -18.8 -24.2 9.2 171 173 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.890 109.7 56.2 -70.2 -39.1 -16.2 -24.9 11.8 172 174 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.958 114.8 38.8 -54.3 -50.5 -14.7 -21.4 11.5 173 175 A N H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.853 112.8 53.9 -72.4 -37.7 -18.1 -19.8 12.3 174 176 A F H X S+ 0 0 7 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.888 109.0 51.2 -62.1 -36.4 -19.2 -22.3 14.9 175 177 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.908 109.2 50.0 -67.3 -39.9 -15.9 -21.5 16.7 176 178 A V H X>S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.6 0.947 109.1 53.0 -62.1 -40.5 -16.6 -17.8 16.5 177 179 A F H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-2.0 0.940 110.3 47.3 -56.4 -51.0 -20.1 -18.6 17.9 178 180 A H H <5S+ 0 0 15 -4,-2.5 6,-3.5 3,-0.2 -1,-0.2 0.909 115.1 47.1 -56.9 -43.3 -18.4 -20.4 20.9 179 181 A Y H <5S+ 0 0 80 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.945 128.6 14.3 -68.9 -49.2 -16.0 -17.6 21.4 180 182 A E H <5S+ 0 0 75 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.651 132.2 36.1-114.5 -9.1 -18.2 -14.5 21.4 181 183 A I T < + 0 0 46 -6,-3.5 4,-2.1 -7,-0.2 3,-0.2 -0.653 21.8 163.6-120.3 72.2 -16.7 -20.5 25.6 185 187 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.856 74.1 55.9 -64.3 -33.4 -13.3 -19.4 24.4 186 188 A E H > S+ 0 0 166 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 108.9 46.3 -64.0 -41.8 -11.7 -22.7 25.2 187 189 A E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 111.0 53.8 -64.3 -38.8 -14.2 -24.6 23.1 188 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 112.6 44.3 -56.9 -48.2 -13.7 -22.0 20.2 189 191 A I H X S+ 0 0 45 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.927 113.2 48.9 -65.7 -45.5 -9.9 -22.6 20.3 190 192 A S H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.918 112.6 49.0 -64.4 -41.2 -10.1 -26.4 20.5 191 193 A L H X S+ 0 0 17 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.952 113.4 45.1 -64.8 -45.5 -12.6 -26.5 17.6 192 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.911 115.8 47.7 -66.4 -38.5 -10.5 -24.2 15.4 193 195 A K H X S+ 0 0 99 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.957 113.4 46.1 -65.9 -50.3 -7.2 -26.1 16.2 194 196 A T H X S+ 0 0 57 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.903 114.2 49.0 -59.2 -41.3 -8.7 -29.5 15.6 195 197 A T H X S+ 0 0 14 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.939 112.5 47.4 -64.8 -45.2 -10.3 -28.4 12.4 196 198 A F H X S+ 0 0 27 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.941 114.2 46.4 -61.6 -48.2 -7.1 -26.9 11.1 197 199 A D H X S+ 0 0 71 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.899 111.2 50.3 -65.7 -41.7 -5.0 -29.9 12.0 198 200 A E H < S+ 0 0 91 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.865 112.2 48.9 -67.5 -33.5 -7.4 -32.5 10.5 199 201 A A H >X S+ 0 0 0 -4,-2.1 3,-1.7 -5,-0.3 4,-1.0 0.928 105.5 56.9 -69.8 -45.2 -7.5 -30.4 7.3 200 202 A M H >< S+ 0 0 93 -4,-2.7 3,-0.9 1,-0.2 4,-0.4 0.909 105.1 52.7 -46.1 -47.5 -3.6 -30.1 7.1 201 203 A A T 3< S+ 0 0 75 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.564 111.6 46.7 -69.2 -11.2 -3.4 -34.0 7.1 202 204 A D T X4 S+ 0 0 32 -3,-1.7 3,-1.7 -4,-0.4 4,-0.3 0.461 82.5 93.1-109.1 -6.0 -5.8 -34.3 4.2 203 205 A L G X< S+ 0 0 17 -4,-1.0 3,-2.0 -3,-0.9 -2,-0.1 0.817 74.5 69.7 -55.6 -32.0 -4.3 -31.6 1.9 204 206 A H G 3 S+ 0 0 159 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.759 91.2 59.8 -62.1 -24.5 -2.2 -34.3 0.1 205 207 A T G < S+ 0 0 78 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.610 91.2 98.1 -78.4 -13.4 -5.4 -35.8 -1.5 206 208 A L S < S- 0 0 43 -3,-2.0 2,-0.0 -4,-0.3 -3,-0.0 -0.529 70.3-127.0 -86.0 142.8 -6.3 -32.6 -3.3 207 209 A S > - 0 0 67 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.290 45.0 -97.9 -59.1 165.4 -5.8 -31.2 -6.9 208 210 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.883 124.7 51.6 -58.5 -39.8 -4.1 -27.8 -7.1 209 211 A D H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 112.9 41.7 -63.6 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