==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 03-DEC-11 3UX0 . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.THIEL,M.BARTEL,C.ANDERS,Y.HIGUCHI,B.SCHUMACHER,N.KATO,C.OT . 234 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 80.8 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 70.9 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 0 0 0 0 1 1 0 0 1 0 1 0 0 2 0 1 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 0 137 0, 0.0 3,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -6.5 -1.9 -9.7 -5.9 2 -2 A M > + 0 0 44 1,-0.2 3,-1.6 26,-0.1 8,-0.1 0.248 360.0 110.2-106.6 8.3 0.3 -11.9 -8.1 3 -1 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.2 32,-0.0 0, 0.0 0.763 75.2 50.6 -54.3 -30.0 -2.5 -14.3 -8.8 4 0 A S T 3 S+ 0 0 125 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.519 91.5 93.0 -91.0 -5.2 -2.9 -13.3 -12.5 5 1 A M S < S- 0 0 36 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.769 82.3-110.2 -93.9 137.0 0.8 -13.7 -13.4 6 2 A E > - 0 0 142 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.266 25.4-121.8 -55.7 145.7 2.2 -16.9 -14.8 7 3 A R H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 112.6 50.1 -55.4 -48.7 4.5 -18.8 -12.5 8 4 A A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 109.4 52.0 -62.5 -34.5 7.5 -18.7 -14.9 9 5 A S H > S+ 0 0 42 2,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.887 107.2 52.2 -68.5 -35.0 7.0 -15.0 -15.4 10 6 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 111.8 47.2 -64.3 -41.8 7.1 -14.4 -11.6 11 7 A I H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.927 112.6 48.3 -66.2 -47.3 10.4 -16.3 -11.4 12 8 A Q H X S+ 0 0 123 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.935 112.3 48.7 -57.4 -46.0 11.8 -14.4 -14.3 13 9 A K H X S+ 0 0 90 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.868 106.8 57.1 -64.3 -35.8 10.7 -11.1 -12.7 14 10 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.926 107.8 47.6 -58.3 -42.8 12.3 -12.2 -9.4 15 11 A K H X S+ 0 0 75 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.885 112.5 48.8 -67.5 -39.2 15.6 -12.6 -11.1 16 12 A L H X S+ 0 0 94 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.907 110.7 51.2 -63.5 -41.3 15.3 -9.2 -12.8 17 13 A A H <>S+ 0 0 7 -4,-3.0 5,-3.3 1,-0.2 4,-0.2 0.879 107.3 53.4 -67.1 -36.0 14.4 -7.6 -9.5 18 14 A E H ><5S+ 0 0 73 -4,-2.1 3,-1.3 3,-0.2 -1,-0.2 0.922 108.9 48.9 -63.5 -43.8 17.5 -9.2 -7.9 19 15 A Q H 3<5S+ 0 0 150 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.855 113.7 46.8 -63.1 -33.2 19.7 -7.7 -10.6 20 16 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.365 112.1-122.0 -88.4 2.5 18.1 -4.3 -10.1 21 17 A E T < 5 + 0 0 143 -3,-1.3 2,-0.9 -4,-0.2 -3,-0.2 0.837 65.1 143.4 54.2 40.4 18.5 -4.7 -6.2 22 18 A R >< + 0 0 148 -5,-3.3 4,-2.3 1,-0.2 -1,-0.2 -0.675 17.0 166.6-105.7 76.4 14.7 -4.3 -5.9 23 19 A Y H > + 0 0 55 -2,-0.9 4,-2.3 1,-0.2 32,-0.2 0.789 69.1 55.4 -74.1 -29.3 14.3 -6.8 -3.0 24 20 A E H > S+ 0 0 147 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.7 44.2 -63.0 -43.3 10.8 -5.9 -2.0 25 21 A D H > S+ 0 0 58 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.919 111.8 54.5 -63.6 -42.4 9.6 -6.6 -5.5 26 22 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.926 109.5 47.1 -56.6 -44.8 11.7 -9.7 -5.6 27 23 A A H X S+ 0 0 5 -4,-2.3 4,-3.0 24,-0.2 -1,-0.2 0.910 111.6 49.8 -68.5 -41.7 10.0 -11.0 -2.4 28 24 A A H X S+ 0 0 39 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.901 111.0 49.5 -63.5 -40.5 6.6 -10.2 -3.7 29 25 A F H X S+ 0 0 31 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.929 114.1 46.0 -61.7 -45.4 7.3 -12.0 -7.0 30 26 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.882 109.0 53.7 -67.9 -34.2 8.6 -15.0 -5.1 31 27 A K H X S+ 0 0 66 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.929 109.4 50.5 -59.5 -44.3 5.6 -15.0 -2.7 32 28 A G H < S+ 0 0 2 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.904 109.6 51.2 -60.9 -40.4 3.4 -15.1 -5.8 33 29 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 5,-0.4 0.937 110.1 47.6 -63.6 -44.4 5.4 -18.0 -7.2 34 30 A V H >< S+ 0 0 9 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.910 105.1 61.0 -58.7 -43.5 5.0 -20.0 -3.9 35 31 A E T 3< S+ 0 0 102 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.610 82.8 79.9 -67.3 -6.5 1.3 -19.2 -3.9 36 32 A K T < S- 0 0 71 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.708 104.1-126.2 -68.4 -19.1 1.0 -21.1 -7.2 37 33 A G < + 0 0 68 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.274 68.3 119.0 100.7 -14.6 1.0 -24.3 -5.0 38 34 A E S S- 0 0 135 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.522 71.9 -98.5 -82.7 153.0 3.8 -26.2 -6.8 39 35 A E - 0 0 112 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.255 41.2-117.8 -60.8 160.8 7.0 -27.2 -5.0 40 36 A L - 0 0 8 65,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.808 20.7-126.8-100.4 144.4 10.0 -24.9 -5.6 41 37 A S > - 0 0 51 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.297 35.4 -95.2 -74.3 173.3 13.2 -26.0 -7.3 42 38 A X H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.939 127.7 46.4 -52.3 -50.5 16.7 -25.5 -5.7 43 39 A E H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 112.3 50.8 -62.3 -38.9 17.3 -22.3 -7.6 44 40 A E H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 107.1 53.0 -70.5 -37.2 13.7 -21.0 -6.7 45 41 A R H X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.914 108.6 51.6 -60.6 -42.0 14.3 -21.7 -3.0 46 42 A N H X S+ 0 0 69 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.891 108.6 49.9 -62.3 -39.8 17.4 -19.6 -3.2 47 43 A L H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 111.0 49.9 -65.2 -40.7 15.6 -16.7 -4.9 48 44 A L H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.937 114.0 45.5 -59.9 -46.5 12.9 -16.9 -2.1 49 45 A S H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.921 112.8 48.8 -65.2 -45.3 15.5 -16.8 0.6 50 46 A V H X S+ 0 0 44 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.898 110.9 52.0 -63.5 -38.3 17.6 -14.0 -0.9 51 47 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -24,-0.2 0.976 115.6 37.0 -67.0 -53.7 14.6 -11.9 -1.4 52 48 A Y H X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.853 112.2 58.7 -69.9 -32.7 13.2 -12.0 2.1 53 49 A K H X S+ 0 0 57 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.871 109.5 45.5 -62.5 -38.0 16.7 -12.0 3.8 54 50 A N H X S+ 0 0 67 -4,-1.8 4,-1.9 -3,-0.2 -2,-0.2 0.911 115.0 46.8 -70.3 -40.2 17.4 -8.7 2.1 55 51 A V H X S+ 0 0 19 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.961 118.5 39.2 -66.6 -54.8 14.0 -7.2 3.0 56 52 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.796 111.6 60.7 -66.4 -27.9 14.0 -8.3 6.7 57 53 A G H X S+ 0 0 24 -4,-1.3 4,-2.1 -5,-0.4 -1,-0.2 0.920 104.5 47.5 -69.9 -37.6 17.7 -7.5 6.9 58 54 A G H X S+ 0 0 47 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.906 114.0 48.4 -62.4 -43.0 17.0 -3.8 6.0 59 55 A Q H X S+ 0 0 29 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.888 112.5 48.2 -66.4 -38.2 14.2 -3.8 8.7 60 56 A R H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.908 109.6 51.1 -71.1 -39.1 16.4 -5.3 11.3 61 57 A A H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.904 113.4 46.5 -64.1 -39.7 19.3 -3.0 10.7 62 58 A A H X S+ 0 0 39 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.920 110.0 52.8 -68.5 -44.8 16.9 -0.1 11.0 63 59 A W H X S+ 0 0 37 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.915 107.9 51.7 -56.0 -41.2 15.3 -1.5 14.2 64 60 A R H X S+ 0 0 79 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.925 109.4 49.7 -65.2 -38.6 18.7 -1.8 15.8 65 61 A V H X S+ 0 0 89 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.956 115.8 42.7 -60.6 -49.3 19.5 1.8 15.0 66 62 A L H X S+ 0 0 23 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.880 112.2 52.8 -68.8 -39.0 16.2 3.0 16.5 67 63 A S H X S+ 0 0 23 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.890 108.9 51.3 -63.5 -39.2 16.4 0.7 19.5 68 64 A S H X S+ 0 0 64 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.936 111.9 45.8 -63.0 -46.1 19.9 2.1 20.3 69 65 A I H X S+ 0 0 76 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.929 113.0 51.1 -61.1 -44.6 18.6 5.6 20.1 70 66 A E H X S+ 0 0 14 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.914 109.3 49.9 -60.6 -44.1 15.6 4.7 22.3 71 67 A Q H >< S+ 0 0 118 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.914 110.1 49.4 -66.6 -39.5 17.8 3.1 24.9 72 68 A K H 3< S+ 0 0 175 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.7 55.4 -61.9 -31.7 20.1 6.1 25.1 73 69 A S H 3< 0 0 86 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.648 360.0 360.0 -74.3 -14.9 16.9 8.2 25.5 74 70 A N << 0 0 144 -3,-0.9 -3,-0.0 -4,-0.7 0, 0.0 -0.662 360.0 360.0-102.5 360.0 15.8 6.1 28.5 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 G 0 0 107 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-171.8 8.6 12.5 23.9 77 79 A P > + 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.481 360.0 97.9 -83.4 0.7 7.1 9.4 22.4 78 80 A E H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.849 81.4 46.3 -64.8 -44.9 8.5 9.7 18.9 79 81 A V H > S+ 0 0 43 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.957 117.4 44.3 -63.8 -48.3 11.6 7.4 19.1 80 82 A R H > S+ 0 0 98 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.917 113.7 51.2 -59.8 -44.7 9.5 4.6 20.7 81 83 A E H X S+ 0 0 98 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.917 113.4 43.6 -60.4 -43.9 6.6 5.1 18.3 82 84 A Y H X S+ 0 0 123 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.894 112.4 52.1 -74.1 -35.5 8.8 4.9 15.2 83 85 A R H X S+ 0 0 36 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.924 110.7 50.3 -60.3 -45.1 10.8 1.9 16.6 84 86 A E H X S+ 0 0 75 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.848 108.1 52.3 -59.2 -37.6 7.4 0.3 17.2 85 87 A K H X S+ 0 0 117 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.945 112.6 43.9 -65.4 -49.1 6.3 1.0 13.6 86 88 A V H X S+ 0 0 14 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 113.6 52.5 -61.1 -43.1 9.5 -0.6 12.2 87 89 A E H X S+ 0 0 29 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.908 108.2 50.2 -59.4 -44.8 9.1 -3.5 14.6 88 90 A T H X S+ 0 0 90 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.894 111.7 47.2 -63.2 -37.9 5.5 -4.1 13.5 89 91 A E H X S+ 0 0 103 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.894 111.9 50.8 -71.9 -36.0 6.4 -4.1 9.8 90 92 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.923 110.0 50.3 -61.9 -49.0 9.3 -6.5 10.5 91 93 A Q H X S+ 0 0 61 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.862 107.8 54.5 -55.8 -41.7 6.9 -8.8 12.4 92 94 A G H X S+ 0 0 32 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.882 108.1 47.5 -63.0 -37.5 4.6 -8.7 9.4 93 95 A V H X S+ 0 0 24 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.938 112.6 49.5 -70.2 -42.2 7.3 -9.8 7.0 94 96 A C H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.934 111.3 49.8 -61.9 -41.0 8.4 -12.6 9.4 95 97 A D H X S+ 0 0 96 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.873 108.7 52.7 -64.8 -36.6 4.7 -13.7 9.7 96 98 A T H X S+ 0 0 53 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.924 112.3 44.6 -60.5 -46.3 4.4 -13.7 5.9 97 99 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 113.5 49.6 -65.5 -45.9 7.4 -16.0 5.5 98 100 A L H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.871 109.2 53.6 -62.1 -35.7 6.3 -18.2 8.2 99 101 A G H X S+ 0 0 34 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.861 106.9 50.1 -64.3 -38.1 2.9 -18.4 6.6 100 102 A L H <>S+ 0 0 11 -4,-1.7 5,-1.9 2,-0.2 -2,-0.2 0.890 111.3 50.3 -66.8 -40.8 4.4 -19.5 3.3 101 103 A L H <>S+ 0 0 3 -4,-2.4 5,-2.6 1,-0.2 6,-0.5 0.903 116.6 40.1 -65.8 -38.9 6.4 -22.2 5.1 102 104 A D H <5S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.696 106.1 69.4 -83.6 -18.1 3.3 -23.5 6.9 103 105 A S T <5S- 0 0 65 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.651 131.8 -56.3-133.8 76.3 1.0 -23.1 3.9 104 106 A H T >5S+ 0 0 107 -3,-0.4 4,-1.5 -2,-0.2 -3,-0.2 -0.741 110.7 96.2-146.9 37.0 2.4 -25.4 2.5 105 107 A L H >4 S- 0 0 116 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.519 81.9-123.9 -78.2 147.9 13.7 -34.5 0.0 112 114 A A H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.887 108.0 55.7 -56.3 -45.1 16.3 -33.6 2.6 113 115 A E H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.874 115.1 38.6 -56.4 -43.1 17.7 -30.6 0.7 114 116 A S H > S+ 0 0 7 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 116.5 48.8 -78.3 -43.4 14.3 -29.0 0.6 115 117 A R H X S+ 0 0 61 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.926 113.9 45.9 -66.2 -42.1 13.1 -29.9 4.0 116 118 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.904 111.4 53.2 -64.9 -41.1 16.3 -28.7 5.7 117 119 A F H X S+ 0 0 15 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.934 112.8 43.5 -59.5 -45.4 16.3 -25.5 3.7 118 120 A Y H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.864 113.4 50.3 -74.3 -35.9 12.7 -24.7 4.8 119 121 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.880 109.2 52.1 -68.8 -34.9 13.2 -25.6 8.4 120 122 A K H X S+ 0 0 17 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.928 110.3 49.4 -58.0 -47.8 16.3 -23.4 8.5 121 123 A M H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.903 108.7 52.9 -59.3 -42.9 14.2 -20.6 7.1 122 124 A K H X S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.942 111.8 45.2 -58.9 -44.6 11.5 -21.3 9.8 123 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 111.6 53.1 -64.5 -38.9 14.2 -21.1 12.5 124 126 A D H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.929 111.2 44.8 -64.6 -46.8 15.7 -17.9 11.0 125 127 A Y H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.848 113.7 48.9 -73.4 -32.0 12.3 -16.0 10.9 126 128 A Y H X S+ 0 0 59 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.880 109.9 53.9 -65.6 -38.3 11.3 -17.1 14.4 127 129 A R H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.908 107.3 50.1 -59.7 -40.5 14.8 -15.9 15.5 128 130 A Y H X S+ 0 0 1 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.905 110.6 49.2 -63.8 -40.5 14.1 -12.5 13.9 129 131 A L H >X S+ 0 0 14 -4,-2.0 3,-1.1 1,-0.2 4,-0.8 0.899 109.7 53.8 -63.1 -37.1 10.8 -12.4 15.8 130 132 A A H 3< S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.831 96.4 65.5 -68.6 -29.2 12.8 -13.3 19.0 131 133 A E H 3< S+ 0 0 39 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.745 114.8 29.7 -60.8 -26.6 15.2 -10.4 18.4 132 134 A V H << S+ 0 0 9 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.404 98.3 108.4-111.7 -4.6 12.4 -8.0 19.1 133 135 A A < - 0 0 11 -4,-0.8 2,-0.4 -3,-0.4 -3,-0.0 -0.422 50.8-151.9 -78.9 152.0 10.2 -10.0 21.5 134 136 A T > - 0 0 120 -2,-0.1 2,-0.6 0, 0.0 4,-0.5 -0.968 48.9 -14.0-127.0 140.5 9.7 -9.3 25.2 135 137 A G T 4 S- 0 0 46 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.729 110.4 -35.5 98.7-119.9 8.9 -11.5 28.3 136 138 A D T >> S+ 0 0 104 -2,-0.6 4,-1.6 2,-0.2 3,-1.0 0.524 127.9 71.4-118.0 -29.7 7.5 -15.1 27.9 137 139 A D H >> S+ 0 0 90 -3,-0.4 4,-1.4 1,-0.3 3,-0.6 0.978 103.1 56.3 -34.7 -50.7 5.4 -14.5 24.8 138 140 A K H 3X S+ 0 0 65 -4,-0.5 4,-2.6 1,-0.2 -1,-0.3 0.741 94.5 61.2 -42.2 -44.9 9.0 -14.5 24.0 139 141 A K H <> S+ 0 0 133 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.899 104.9 47.5 -65.7 -38.9 9.8 -17.9 25.4 140 142 A R H - 0 0 63 0, 0.0 3,-1.9 0, 0.0 6,-0.2 -0.325 37.3-110.8 -65.6 155.6 27.4 -34.5 4.0 162 164 A P T 3 S+ 0 0 28 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.653 117.2 54.9 -64.4 -16.1 29.1 -32.3 6.5 163 165 A T T 3 S+ 0 0 2 35,-0.1 55,-0.1 39,-0.1 5,-0.1 0.443 73.3 126.0 -93.2 -7.4 30.2 -29.9 3.7 164 166 A N <> - 0 0 27 -3,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.337 62.6-135.4 -55.5 126.8 26.8 -29.4 2.3 165 167 A P H > S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 103.1 50.5 -59.6 -30.3 26.3 -25.5 2.1 166 168 A I H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 111.7 48.0 -73.1 -42.2 22.7 -25.6 3.5 167 169 A R H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 113.9 47.6 -58.8 -44.7 23.9 -27.8 6.4 168 170 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.901 113.6 46.7 -62.6 -45.2 26.8 -25.5 7.0 169 171 A G H X S+ 0 0 2 -4,-2.7 4,-2.3 -5,-0.2 67,-0.3 0.872 110.1 54.2 -68.1 -36.2 24.6 -22.4 6.9 170 172 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.946 111.0 45.3 -57.2 -48.1 22.1 -24.0 9.2 171 173 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 110.4 53.5 -65.6 -41.2 24.7 -24.7 11.8 172 174 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.940 114.3 42.1 -53.4 -46.4 26.2 -21.2 11.4 173 175 A N H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.872 112.8 51.9 -75.5 -38.8 22.7 -19.7 12.1 174 176 A F H X S+ 0 0 6 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.871 108.5 52.4 -65.5 -36.2 21.8 -22.1 14.9 175 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.927 109.0 49.3 -66.4 -38.9 25.1 -21.2 16.6 176 178 A V H X>S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.5 0.920 108.8 54.5 -60.7 -40.6 24.2 -17.5 16.3 177 179 A F H X>S+ 0 0 4 -4,-2.6 5,-2.3 1,-0.2 4,-2.2 0.959 110.1 46.1 -59.2 -47.7 20.8 -18.4 17.8 178 180 A H H <5S+ 0 0 18 -4,-2.7 6,-3.3 3,-0.2 -1,-0.2 0.913 115.4 46.6 -58.7 -42.1 22.6 -20.0 20.7 179 181 A Y H <5S+ 0 0 86 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.932 128.4 17.4 -71.3 -44.4 25.0 -17.1 21.2 180 182 A E H <5S+ 0 0 75 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.721 132.0 31.6-112.3 -13.2 22.6 -14.2 21.1 181 183 A I T < + 0 0 45 -6,-3.3 4,-2.2 -7,-0.2 5,-0.2 -0.597 21.0 159.4-126.3 64.5 24.2 -20.1 25.5 185 187 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.857 75.0 56.4 -63.4 -30.8 27.6 -18.9 24.1 186 188 A E H > S+ 0 0 166 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 108.8 46.4 -64.6 -39.6 29.3 -22.2 25.0 187 189 A E H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.897 112.0 52.3 -65.4 -41.1 26.8 -24.1 23.0 188 190 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.4 44.5 -60.0 -44.4 27.3 -21.6 20.1 189 191 A I H X S+ 0 0 45 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.937 113.5 50.5 -68.0 -42.8 31.0 -22.1 20.2 190 192 A S H X S+ 0 0 62 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.934 112.2 47.2 -59.6 -47.7 30.8 -25.9 20.4 191 193 A L H X S+ 0 0 18 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.933 112.3 47.9 -64.6 -40.4 28.4 -26.1 17.5 192 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.920 115.2 46.3 -68.3 -38.4 30.5 -23.7 15.3 193 195 A K H X S+ 0 0 111 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.948 113.6 46.3 -67.6 -49.7 33.8 -25.7 16.1 194 196 A T H X S+ 0 0 58 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.911 114.6 48.5 -59.3 -44.6 32.3 -29.2 15.6 195 197 A T H X S+ 0 0 13 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.931 112.4 48.2 -62.6 -41.7 30.7 -28.1 12.3 196 198 A F H X S+ 0 0 20 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.941 113.4 47.9 -63.9 -47.9 33.9 -26.5 11.1 197 199 A D H X S+ 0 0 71 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.898 111.2 48.0 -62.1 -43.2 36.0 -29.6 12.0 198 200 A E H X S+ 0 0 87 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.864 112.7 50.0 -70.7 -32.2 33.7 -32.1 10.4 199 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.3 4,-0.8 0.938 106.7 54.7 -71.1 -45.8 33.5 -30.1 7.2 200 202 A M H >< S+ 0 0 96 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.917 106.5 52.6 -47.1 -45.8 37.3 -29.7 7.0 201 203 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.635 111.2 46.5 -73.6 -9.4 37.6 -33.5 7.2 202 204 A D H X< S+ 0 0 32 -3,-1.5 3,-1.7 -4,-0.6 -1,-0.2 0.433 83.1 93.4-108.2 -2.9 35.1 -34.0 4.2 203 205 A L G X< S+ 0 0 15 -3,-1.1 3,-2.1 -4,-0.8 -2,-0.1 0.818 73.0 70.2 -60.1 -30.1 36.6 -31.4 1.9 204 206 A H G 3 S+ 0 0 157 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.678 91.3 59.9 -63.7 -17.6 38.7 -34.0 0.2 205 207 A T G < S+ 0 0 77 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.536 92.7 95.1 -84.6 -8.4 35.6 -35.5 -1.4 206 208 A L S < S- 0 0 46 -3,-2.1 2,-0.0 -4,-0.2 -3,-0.0 -0.541 70.6-122.3 -97.6 149.3 34.7 -32.3 -3.3 207 209 A S > - 0 0 67 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.236 43.0 -98.8 -64.6 165.7 35.2 -30.9 -6.7 208 210 A E H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.910 125.5 48.5 -57.6 -41.5 36.9 -27.5 -7.0 209 211 A D H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 112.8 45.2 -68.0 -42.4 33.5 -25.8 -7.4 210 212 A S H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 110.6 55.7 -66.1 -41.0 31.9 -27.6 -4.3 211 213 A Y H X S+ 0 0 117 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.914 106.5 50.5 -55.1 -45.5 35.0 -26.8 -2.3 212 214 A K H X S+ 0 0 133 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.924 111.5 48.1 -59.1 -46.4 34.7 -23.1 -3.1 213 215 A D H X S+ 0 0 76 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.914 116.1 42.8 -61.5 -45.0 31.0 -23.2 -2.0 214 216 A S H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.920 111.7 51.5 -71.4 -44.3 31.7 -25.0 1.3 215 217 A T H X S+ 0 0 45 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.844 101.4 64.1 -67.8 -27.1 34.9 -23.1 2.3 216 218 A L H X S+ 0 0 120 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.946 110.2 37.0 -59.2 -46.7 33.0 -19.8 1.9 217 219 A I H X S+ 0 0 20 -4,-1.1 4,-1.7 -3,-0.3 3,-0.2 0.847 110.6 61.0 -78.5 -28.9 30.6 -20.7 4.7 218 220 A M H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.889 100.3 56.7 -60.2 -36.6 33.3 -22.3 6.7 219 221 A Q H X S+ 0 0 88 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.880 103.1 53.4 -62.6 -34.9 35.0 -18.9 6.8 220 222 A L H X S+ 0 0 36 -4,-0.9 4,-2.0 2,-0.2 14,-0.3 0.889 107.9 50.9 -68.5 -36.4 31.9 -17.4 8.3 221 223 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.934 111.2 47.9 -60.0 -43.6 32.1 -20.1 11.1 222 224 A R H X S+ 0 0 124 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.913 108.3 55.5 -64.2 -39.0 35.7 -19.2 11.7 223 225 A D H X S+ 0 0 44 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.903 109.8 46.2 -62.1 -42.3 34.8 -15.5 11.8 224 226 A N H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.932 111.3 49.7 -67.3 -42.5 32.3 -16.1 14.5 225 227 A L H X S+ 0 0 28 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.884 110.2 52.7 -63.7 -35.4 34.7 -18.3 16.6 226 228 A T H < S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.913 112.2 44.9 -64.8 -43.1 37.3 -15.6 16.2 227 229 A L H < S+ 0 0 80 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.871 118.2 43.5 -64.4 -37.7 34.9 -12.9 17.5 228 230 A W H < 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.600 360.0 360.0 -92.1 -11.5 33.6 -15.2 20.4 229 231 A T < 0 0 139 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.274 360.0 360.0-126.8 360.0 36.9 -16.6 21.8 230 !* 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 0.0 231 369 P K 0 0 126 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 148.2 32.8 -6.8 13.6 232 370 P R - 0 0 100 1,-0.1 -5,-0.0 0, 0.0 -8,-0.0 -0.865 360.0-100.5 -96.6 137.8 29.2 -8.1 13.7 233 371 P R - 0 0 17 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 -0.135 42.1-112.1 -53.0 151.4 28.8 -11.9 13.9 234 372 P K + 0 0 72 -14,-0.3 2,-0.3 -13,-0.1 -58,-0.1 -0.690 36.9 168.3 -93.1 139.4 28.0 -13.6 10.6 235 373 P X 0 0 32 -2,-0.3 -66,-0.1 1,-0.1 -62,-0.0 -0.889 360.0 360.0-135.1 169.4 24.8 -15.4 9.6 236 374 P V 0 0 61 -67,-0.3 -66,-0.1 -2,-0.3 -67,-0.1 0.486 360.0 360.0-143.9 360.0 23.8 -16.6 6.1