==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/INHIBITOR 30-JAN-12 4DHP . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.THIEL,L.ROEGLIN,O.KOHLBACHER,C.OTTMANN . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 82.5 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 . 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 0 2 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,-0.4 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -21.0 -1.9 9.5 6.2 2 -2 A M > + 0 0 41 1,-0.2 3,-1.6 26,-0.1 8,-0.1 0.321 360.0 106.7 -97.7 6.2 0.3 11.9 8.2 3 -1 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 32,-0.0 0, 0.0 0.792 78.0 49.5 -53.9 -31.1 -2.5 14.3 8.9 4 0 A S T 3 S+ 0 0 121 -3,-0.4 2,-0.4 2,-0.1 -1,-0.3 0.520 92.4 91.8 -90.5 -7.5 -2.9 13.3 12.5 5 1 A M S < S- 0 0 39 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.771 82.8-108.9 -93.6 137.7 0.8 13.6 13.4 6 2 A E > - 0 0 144 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.266 23.8-123.1 -55.5 144.0 2.3 16.8 14.8 7 3 A R H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 113.1 50.8 -54.8 -47.1 4.6 18.7 12.5 8 4 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 109.5 51.1 -62.8 -33.7 7.4 18.6 15.0 9 5 A S H > S+ 0 0 42 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.873 107.4 53.0 -70.6 -39.4 7.0 14.8 15.4 10 6 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.903 111.3 46.8 -59.2 -43.8 7.1 14.3 11.6 11 7 A I H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.935 112.2 49.4 -66.7 -45.0 10.4 16.3 11.4 12 8 A Q H X S+ 0 0 122 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.927 112.8 47.8 -59.4 -43.1 11.9 14.3 14.3 13 9 A K H X S+ 0 0 85 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.852 106.1 57.1 -70.0 -31.3 10.8 11.1 12.7 14 10 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.925 108.4 48.2 -59.7 -41.8 12.3 12.1 9.3 15 11 A K H X S+ 0 0 74 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.895 112.0 48.6 -67.6 -40.3 15.6 12.6 11.1 16 12 A L H X S+ 0 0 93 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.924 110.6 51.1 -61.3 -46.1 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,-0.3 0.888 107.2 53.8 -60.5 -40.0 14.5 7.6 9.4 18 14 A E H ><5S+ 0 0 72 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.926 108.8 49.0 -57.9 -44.5 17.5 9.2 7.9 19 15 A Q H 3<5S+ 0 0 154 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.863 113.7 46.3 -62.3 -35.3 19.7 7.7 10.6 20 16 A A T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.366 112.9-120.9 -87.5 2.1 18.1 4.3 10.0 21 17 A E T < 5 + 0 0 145 -3,-1.3 2,-1.0 -4,-0.3 -3,-0.2 0.820 65.6 143.5 55.8 38.3 18.5 4.7 6.2 22 18 A R >< + 0 0 145 -5,-3.3 4,-2.3 1,-0.2 -1,-0.2 -0.681 16.5 166.3-104.8 77.2 14.8 4.3 5.8 23 19 A Y H > + 0 0 54 -2,-1.0 4,-2.6 1,-0.2 32,-0.2 0.795 69.4 55.5 -72.2 -31.9 14.4 6.8 3.0 24 20 A E H > S+ 0 0 154 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 112.6 44.6 -62.6 -45.2 10.9 5.9 1.9 25 21 A D H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.914 111.8 53.8 -61.6 -44.1 9.7 6.5 5.5 26 22 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.928 109.5 47.9 -56.9 -44.3 11.8 9.7 5.5 27 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.9 24,-0.3 -1,-0.2 0.918 110.8 50.2 -64.4 -42.6 10.1 11.0 2.4 28 24 A A H X S+ 0 0 38 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.891 111.3 49.3 -63.9 -37.0 6.6 10.2 3.7 29 25 A F H X S+ 0 0 32 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 113.7 46.0 -66.3 -43.3 7.3 12.0 7.0 30 26 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.868 109.7 52.8 -69.7 -36.0 8.6 15.0 5.0 31 27 A K H X S+ 0 0 69 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.936 109.9 51.0 -58.7 -48.3 5.6 15.0 2.6 32 28 A G H < S+ 0 0 3 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.890 110.0 49.7 -51.6 -45.1 3.4 15.0 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 5,-0.4 0.926 110.5 48.5 -63.3 -46.9 5.4 18.0 7.1 34 30 A V H >< S+ 0 0 5 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.921 105.0 61.0 -57.2 -43.4 5.1 20.0 3.8 35 31 A E T 3< S+ 0 0 105 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.611 82.9 79.0 -67.0 -8.6 1.3 19.2 3.9 36 32 A K T < S- 0 0 71 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.686 103.8-127.6 -66.2 -19.8 1.0 21.0 7.2 37 33 A G < + 0 0 69 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.321 67.5 121.0 95.0 -7.3 1.1 24.2 5.0 38 34 A E S S- 0 0 133 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.552 70.3 -99.0 -86.2 153.0 3.8 26.1 6.8 39 35 A E - 0 0 117 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.234 39.5-117.8 -65.3 159.3 7.0 27.1 5.1 40 36 A L - 0 0 8 65,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.849 19.4-129.9-102.8 140.0 10.1 24.9 5.6 41 37 A S > - 0 0 49 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.250 36.4 -95.2 -74.6 175.0 13.3 26.1 7.3 42 38 A X H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.945 127.8 47.9 -58.0 -48.1 16.8 25.5 5.7 43 39 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 112.5 48.7 -60.8 -43.1 17.2 22.3 7.7 44 40 A E H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 107.8 54.3 -67.9 -39.5 13.8 21.0 6.8 45 41 A R H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.905 108.1 50.8 -59.1 -41.7 14.3 21.8 3.1 46 42 A N H X S+ 0 0 71 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.900 108.1 51.1 -64.7 -36.4 17.4 19.7 3.2 47 43 A L H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.904 110.3 50.0 -65.1 -40.8 15.6 16.8 4.9 48 44 A L H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.937 113.5 45.8 -60.6 -47.8 12.9 16.9 2.1 49 45 A S H X S+ 0 0 27 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.934 113.2 48.1 -62.7 -48.4 15.6 16.9 -0.6 50 46 A V H X S+ 0 0 39 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.911 110.8 52.5 -58.2 -44.8 17.7 14.1 1.0 51 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -24,-0.3 0.971 116.2 36.6 -58.6 -56.5 14.6 11.9 1.4 52 48 A Y H X S+ 0 0 13 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.851 111.1 59.8 -70.5 -32.3 13.4 12.1 -2.1 53 49 A K H X S+ 0 0 118 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.900 110.3 44.6 -60.4 -40.0 16.9 12.1 -3.7 54 50 A N H X S+ 0 0 64 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.885 113.8 47.8 -73.0 -40.0 17.5 8.7 -2.1 55 51 A V H X S+ 0 0 21 -4,-2.0 4,-1.5 -32,-0.2 -2,-0.2 0.969 118.4 39.8 -63.6 -52.1 14.1 7.3 -3.0 56 52 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.847 110.6 61.1 -69.1 -29.4 14.2 8.4 -6.7 57 53 A G H X S+ 0 0 26 -4,-1.8 4,-2.2 -5,-0.4 -1,-0.2 0.933 104.1 48.0 -63.4 -44.8 17.9 7.5 -6.8 58 54 A G H X S+ 0 0 46 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.888 113.8 48.1 -56.0 -43.0 17.1 3.8 -6.0 59 55 A Q H X S+ 0 0 28 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.889 110.9 50.4 -68.9 -42.1 14.4 3.9 -8.7 60 56 A R H X S+ 0 0 45 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.897 110.0 50.3 -61.3 -42.3 16.7 5.5 -11.3 61 57 A A H X S+ 0 0 58 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.926 114.3 44.5 -62.3 -45.9 19.4 2.9 -10.6 62 58 A A H X S+ 0 0 38 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.910 111.0 52.7 -65.5 -43.4 16.9 0.1 -11.1 63 59 A W H X S+ 0 0 40 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.905 109.7 50.6 -59.8 -40.9 15.3 1.6 -14.2 64 60 A R H X S+ 0 0 118 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.937 109.9 48.8 -63.6 -46.0 18.8 1.8 -15.7 65 61 A V H X S+ 0 0 91 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.947 116.6 43.0 -53.7 -52.8 19.6 -1.8 -15.0 66 62 A L H X S+ 0 0 22 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.891 111.3 53.1 -66.9 -40.5 16.3 -2.9 -16.5 67 63 A S H X S+ 0 0 22 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.880 109.5 50.6 -62.2 -37.4 16.5 -0.6 -19.5 68 64 A S H X S+ 0 0 73 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.922 111.3 46.8 -66.2 -43.2 19.9 -2.0 -20.3 69 65 A I H X S+ 0 0 81 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.909 113.1 50.7 -63.5 -42.5 18.6 -5.6 -20.1 70 66 A E H X S+ 0 0 15 -4,-2.8 4,-1.2 2,-0.2 3,-0.2 0.925 108.5 50.8 -62.3 -45.2 15.6 -4.7 -22.2 71 67 A Q H < S+ 0 0 120 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.896 110.1 49.7 -62.9 -40.0 17.9 -3.1 -24.9 72 68 A K H < S+ 0 0 190 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.800 109.3 53.8 -64.5 -28.7 20.0 -6.2 -25.0 73 69 A S H < 0 0 77 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.726 360.0 360.0 -77.1 -23.4 16.8 -8.3 -25.4 74 70 A N < 0 0 144 -4,-1.2 -3,-0.0 -3,-0.5 0, 0.0 -0.369 360.0 360.0 -95.7 360.0 15.6 -6.3 -28.4 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 0 104 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 178.6 8.7 -12.5 -23.7 77 79 A P > + 0 0 54 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.446 360.0 98.0 -81.2 -0.1 7.0 -9.3 -22.4 78 80 A E H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 79.3 47.1 -67.8 -42.1 8.5 -9.6 -18.9 79 81 A V H > S+ 0 0 44 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.960 116.4 45.4 -64.8 -46.5 11.5 -7.3 -19.0 80 82 A R H > S+ 0 0 101 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.920 113.1 51.5 -59.9 -44.5 9.5 -4.5 -20.6 81 83 A E H X S+ 0 0 98 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.914 113.6 42.9 -57.7 -46.2 6.6 -5.1 -18.1 82 84 A Y H X S+ 0 0 120 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.893 112.8 51.8 -74.2 -36.4 8.9 -4.9 -15.1 83 85 A R H X S+ 0 0 36 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.935 111.2 49.4 -60.9 -43.4 10.9 -1.9 -16.5 84 86 A E H X S+ 0 0 76 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.867 108.6 53.1 -61.5 -37.0 7.5 -0.1 -17.1 85 87 A K H X S+ 0 0 116 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.945 113.0 42.9 -63.0 -49.5 6.4 -1.0 -13.4 86 88 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.927 114.1 52.6 -63.7 -42.4 9.6 0.6 -12.1 87 89 A E H X S+ 0 0 30 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.904 108.3 49.4 -58.6 -44.4 9.2 3.5 -14.5 88 90 A T H X S+ 0 0 87 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.876 111.2 49.3 -66.6 -37.2 5.7 4.2 -13.4 89 91 A E H X S+ 0 0 102 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.898 111.3 49.7 -69.3 -40.5 6.7 4.2 -9.7 90 92 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.912 110.3 50.2 -60.5 -44.8 9.5 6.6 -10.5 91 93 A Q H X S+ 0 0 54 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.879 108.1 54.8 -62.2 -37.6 7.1 8.9 -12.3 92 94 A G H X S+ 0 0 32 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.915 108.3 47.2 -62.1 -42.2 4.8 8.7 -9.3 93 95 A V H X S+ 0 0 23 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.940 113.5 48.0 -65.8 -46.3 7.6 9.9 -7.0 94 96 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.916 111.6 50.2 -61.9 -42.7 8.6 12.7 -9.3 95 97 A D H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.871 109.6 51.8 -63.5 -35.7 5.0 13.8 -9.7 96 98 A T H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 111.9 45.5 -65.0 -45.8 4.6 13.8 -5.9 97 99 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.940 113.5 49.0 -63.6 -46.5 7.6 16.0 -5.4 98 100 A L H X S+ 0 0 17 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.888 109.3 54.5 -60.4 -37.1 6.6 18.3 -8.2 99 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.894 107.3 49.0 -62.4 -41.5 3.1 18.4 -6.6 100 102 A L H ><>S+ 0 0 9 -4,-2.1 5,-1.6 2,-0.2 3,-0.5 0.915 111.2 49.7 -64.9 -42.8 4.6 19.5 -3.2 101 103 A L H 3<>S+ 0 0 2 -4,-2.6 5,-2.6 1,-0.2 6,-0.5 0.901 115.7 43.8 -63.2 -36.3 6.6 22.2 -4.9 102 104 A D H 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.608 103.2 72.2 -83.4 -10.8 3.5 23.4 -6.7 103 105 A S T <<5S- 0 0 60 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 -0.593 130.9 -59.2-142.6 75.2 1.3 23.2 -3.6 104 106 A H T >5S+ 0 0 107 -3,-0.3 4,-1.9 -2,-0.2 5,-0.2 -0.693 110.5 99.5-142.5 42.1 2.5 25.5 -2.3 105 107 A L H >4 S- 0 0 129 1,-0.1 4,-3.0 4,-0.0 5,-0.3 -0.505 81.7-123.0 -77.0 146.1 13.9 34.5 0.1 112 114 A A H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.894 109.2 55.3 -54.5 -42.7 16.5 33.7 -2.4 113 115 A E H > S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.880 116.1 37.0 -63.6 -36.6 17.8 30.6 -0.5 114 116 A S H > S+ 0 0 8 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 118.3 48.4 -77.0 -46.1 14.3 29.0 -0.4 115 117 A R H X S+ 0 0 59 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.935 114.2 44.7 -66.2 -43.9 13.2 30.1 -3.9 116 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.909 112.5 54.2 -63.1 -42.1 16.3 28.9 -5.6 117 119 A F H X S+ 0 0 16 -4,-1.1 4,-2.1 -5,-0.4 -2,-0.2 0.932 112.7 41.7 -57.3 -48.4 16.3 25.6 -3.6 118 120 A Y H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 114.3 50.5 -73.1 -37.0 12.8 24.8 -4.7 119 121 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.888 109.7 51.6 -67.9 -38.8 13.2 25.8 -8.3 120 122 A K H X S+ 0 0 37 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.914 110.0 50.0 -57.6 -45.6 16.4 23.7 -8.5 121 123 A M H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.896 108.4 52.5 -58.2 -43.4 14.3 20.8 -7.1 122 124 A K H X S+ 0 0 60 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.943 110.9 47.4 -59.0 -45.5 11.7 21.4 -9.7 123 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 112.0 50.6 -57.7 -48.2 14.3 21.3 -12.4 124 126 A D H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.924 111.6 46.1 -59.6 -45.7 15.8 18.1 -11.0 125 127 A Y H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.868 112.5 48.8 -74.5 -32.4 12.5 16.2 -10.8 126 128 A Y H X S+ 0 0 58 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.887 110.0 55.0 -64.9 -36.8 11.5 17.2 -14.3 127 129 A R H X S+ 0 0 10 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.910 106.3 49.5 -60.8 -43.4 14.9 16.1 -15.4 128 130 A Y H X S+ 0 0 8 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.902 111.2 50.0 -63.5 -38.7 14.3 12.6 -13.8 129 131 A L H >X S+ 0 0 13 -4,-2.0 3,-0.9 1,-0.2 4,-0.7 0.909 108.5 53.7 -61.4 -40.9 11.0 12.5 -15.7 130 132 A A H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.838 97.2 65.2 -62.7 -32.1 12.9 13.5 -18.9 131 133 A E H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.772 113.4 32.0 -62.0 -31.2 15.4 10.6 -18.4 132 134 A V H << S+ 0 0 10 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.389 101.3 102.0-104.9 -1.1 12.5 8.0 -18.9 133 135 A A << - 0 0 7 -3,-0.7 2,-0.3 -4,-0.7 -3,-0.0 -0.435 54.0-154.1 -82.3 155.6 10.4 10.1 -21.4 134 136 A T > - 0 0 111 -2,-0.1 4,-1.6 0, 0.0 3,-0.5 -0.908 44.7 -20.1-124.7 162.9 10.2 9.6 -25.2 135 137 A G H > S- 0 0 51 -2,-0.3 4,-0.9 1,-0.2 -2,-0.0 -0.102 118.5 -14.9 60.2-140.4 9.4 11.7 -28.2 136 138 A D H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.837 133.0 63.2 -70.5 -37.9 7.4 15.0 -28.0 137 139 A D H > S+ 0 0 90 -3,-0.5 4,-1.7 1,-0.3 3,-0.5 0.961 101.7 53.7 -43.8 -51.6 6.3 14.1 -24.5 138 140 A K H X S+ 0 0 64 -4,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.821 103.0 58.2 -53.7 -40.6 10.0 14.3 -23.8 139 141 A K H X S+ 0 0 144 -4,-0.9 4,-2.3 -3,-0.2 -1,-0.2 0.882 105.7 45.0 -64.6 -44.2 10.2 17.9 -25.3 140 142 A R H X S+ 0 0 193 -4,-1.7 4,-1.7 -3,-0.5 -1,-0.2 0.868 115.4 49.2 -69.8 -32.8 7.7 19.5 -23.0 141 143 A I H X S+ 0 0 25 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.913 110.4 50.7 -69.7 -43.0 9.2 17.8 -20.0 142 144 A I H X S+ 0 0 38 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.927 110.8 49.1 -58.8 -45.6 12.7 18.9 -21.0 143 145 A D H X S+ 0 0 82 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.862 108.0 54.1 -67.9 -29.9 11.5 22.5 -21.4 144 146 A S H X S+ 0 0 44 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.909 110.6 46.5 -65.0 -42.4 9.8 22.4 -18.0 145 147 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.957 113.8 48.8 -61.3 -49.7 13.2 21.3 -16.5 146 148 A R H X S+ 0 0 86 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.906 110.4 50.8 -54.8 -49.1 15.0 24.1 -18.4 147 149 A S H X S+ 0 0 60 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.887 111.5 46.6 -59.5 -43.4 12.5 26.7 -17.4 148 150 A A H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.943 114.6 46.9 -66.8 -49.1 12.8 25.9 -13.7 149 151 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.892 111.6 52.8 -56.6 -40.7 16.6 25.8 -13.8 150 152 A Q H X S+ 0 0 72 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.917 109.3 46.6 -67.6 -44.3 16.7 29.1 -15.7 151 153 A E H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.921 113.5 50.1 -61.6 -43.1 14.5 30.9 -13.2 152 154 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.913 111.6 48.3 -59.2 -44.9 16.7 29.5 -10.3 153 155 A M H X S+ 0 0 12 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.914 108.6 53.4 -62.9 -44.4 19.9 30.6 -12.1 154 156 A D H X S+ 0 0 70 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.923 114.4 41.5 -59.4 -46.1 18.5 34.1 -12.8 155 157 A I H X S+ 0 0 30 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.929 113.2 53.8 -64.4 -45.5 17.7 34.6 -9.0 156 158 A S H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.894 108.7 48.7 -58.2 -42.9 21.0 32.9 -7.9 157 159 A K H < S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 118.0 40.4 -68.5 -32.6 23.1 35.2 -10.0 158 160 A K H < S+ 0 0 165 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.838 128.2 27.6 -80.4 -34.4 21.3 38.4 -8.7 159 161 A E H < S+ 0 0 130 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.496 110.0 57.7-113.4 -12.9 20.9 37.4 -5.0 160 162 A M S < S- 0 0 12 -4,-2.0 -1,-0.0 -5,-0.3 0, 0.0 -0.952 77.0-110.4-128.3 149.3 23.7 35.0 -4.0 161 163 A P > - 0 0 65 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.356 38.8-108.4 -71.8 159.4 27.5 35.2 -4.0 162 164 A P T 3 S+ 0 0 33 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.638 117.6 53.4 -67.6 -14.2 29.2 32.9 -6.5 163 165 A T T 3 S+ 0 0 4 35,-0.1 55,-0.1 39,-0.1 5,-0.1 0.460 73.8 127.3 -93.5 -3.5 30.4 30.5 -3.7 164 166 A N <> - 0 0 17 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 -0.316 60.8-137.9 -56.3 123.9 27.0 30.0 -2.2 165 167 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.815 102.6 52.1 -58.6 -32.9 26.5 26.1 -2.1 166 168 A I H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 111.8 46.5 -66.2 -46.7 22.9 26.3 -3.3 167 169 A R H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 114.1 49.1 -57.2 -45.0 24.0 28.4 -6.2 168 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.913 111.7 47.3 -63.4 -43.8 26.9 26.0 -6.9 169 171 A G H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.847 110.5 52.9 -69.9 -32.8 24.8 22.9 -6.7 170 172 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.938 110.9 46.4 -65.2 -46.3 22.2 24.4 -9.0 171 173 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 111.5 52.0 -64.4 -39.6 24.8 25.2 -11.6 172 174 A L H X S+ 0 0 18 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.949 114.0 43.3 -54.9 -50.6 26.3 21.7 -11.3 173 175 A N H X S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.872 112.2 51.8 -70.1 -35.0 22.8 20.2 -11.9 174 176 A F H X S+ 0 0 8 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.888 108.8 52.1 -68.3 -34.1 21.9 22.5 -14.7 175 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.917 109.4 49.7 -67.3 -38.8 25.3 21.6 -16.4 176 178 A V H X>S+ 0 0 18 -4,-2.1 4,-3.2 2,-0.2 5,-0.5 0.914 108.3 53.6 -63.8 -40.1 24.4 17.9 -16.0 177 179 A F H X>S+ 0 0 3 -4,-2.5 5,-2.3 1,-0.2 4,-2.1 0.944 110.0 47.6 -57.5 -48.2 21.0 18.7 -17.6 178 180 A H H <5S+ 0 0 19 -4,-2.5 6,-3.1 3,-0.2 -2,-0.2 0.914 118.8 40.0 -58.5 -42.2 22.7 20.3 -20.5 179 181 A Y H <5S+ 0 0 89 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.908 127.7 27.7 -75.8 -43.9 25.1 17.4 -21.0 180 182 A E H <5S+ 0 0 104 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.729 133.6 20.9 -94.6 -28.0 22.8 14.5 -20.4 181 183 A I T < + 0 0 46 -6,-3.1 4,-2.2 -7,-0.2 3,-0.2 -0.577 20.4 159.2-124.7 65.1 24.3 20.6 -25.3 185 187 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.842 75.5 56.1 -62.1 -31.8 27.7 19.4 -24.0 186 188 A E H > S+ 0 0 164 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 108.4 46.4 -64.2 -42.9 29.3 22.8 -24.9 187 189 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 112.4 53.0 -61.9 -40.0 26.8 24.7 -22.8 188 190 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 111.9 42.9 -59.0 -49.4 27.4 22.1 -20.0 189 191 A I H X S+ 0 0 47 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.912 114.3 51.4 -65.4 -42.3 31.2 22.6 -20.1 190 192 A S H X S+ 0 0 63 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.926 112.2 46.1 -62.4 -45.7 30.8 26.4 -20.4 191 193 A L H X S+ 0 0 18 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.939 113.6 47.5 -63.1 -44.2 28.5 26.6 -17.4 192 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.902 115.1 46.7 -66.8 -38.9 30.6 24.3 -15.2 193 195 A K H X S+ 0 0 97 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.937 113.6 45.9 -69.8 -46.8 33.8 26.2 -16.1 194 196 A T H X S+ 0 0 54 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.914 114.9 48.8 -61.8 -42.4 32.4 29.7 -15.5 195 197 A T H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.949 112.9 47.4 -61.0 -45.7 30.8 28.6 -12.3 196 198 A F H X S+ 0 0 28 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.950 113.9 46.5 -60.8 -49.7 34.0 27.1 -11.1 197 199 A D H X S+ 0 0 66 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.874 113.0 48.8 -63.9 -40.6 36.2 30.1 -12.0 198 200 A E H X S+ 0 0 87 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.870 112.1 48.7 -70.3 -33.3 33.8 32.6 -10.4 199 201 A A H >X S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.2 4,-0.9 0.938 107.7 55.5 -68.2 -46.2 33.6 30.6 -7.2 200 202 A M H >< S+ 0 0 90 -4,-2.8 3,-1.2 1,-0.3 4,-0.4 0.920 105.8 51.9 -49.5 -48.9 37.4 30.3 -7.1 201 203 A A H 3< S+ 0 0 71 -4,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.674 111.6 47.0 -64.3 -19.2 37.7 34.1 -7.2 202 204 A D H X< S+ 0 0 29 -3,-1.4 3,-1.7 -4,-0.6 -1,-0.2 0.461 84.0 92.3-102.0 -4.2 35.2 34.5 -4.3 203 205 A L G X< S+ 0 0 10 -3,-1.2 3,-2.2 -4,-0.9 -1,-0.1 0.824 72.2 70.8 -62.3 -29.8 36.8 31.9 -2.0 204 206 A H G 3 S+ 0 0 160 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.713 92.3 59.6 -62.0 -18.6 39.0 34.5 -0.3 205 207 A T G < S+ 0 0 79 -3,-1.7 -1,-0.3 2,-0.0 2,-0.3 0.530 91.4 95.1 -84.1 -7.3 35.9 36.0 1.4 206 208 A L < - 0 0 45 -3,-2.2 2,-0.0 -4,-0.2 -3,-0.0 -0.600 69.4-124.8 -96.9 147.4 35.0 32.7 3.2 207 209 A S > - 0 0 69 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.262 44.5 -93.9 -65.4 166.9 35.6 31.3 6.7 208 210 A E H > S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.902 126.0 45.2 -50.6 -47.9 37.2 27.9 7.1 209 211 A D H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 114.3 46.4 -71.9 -39.8 33.9 26.1 7.2 210 212 A S H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.894 110.2 55.5 -64.8 -41.1 32.3 27.9 4.3 211 213 A Y H X S+ 0 0 112 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.916 107.6 49.8 -55.9 -44.3 35.4 27.4 2.3 212 214 A K H X S+ 0 0 130 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.919 111.1 47.8 -61.5 -44.9 35.1 23.7 2.9 213 215 A D H X S+ 0 0 77 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.921 116.7 43.3 -64.0 -44.5 31.4 23.6 1.9 214 216 A S H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 3,-0.2 0.915 112.2 50.7 -69.1 -44.6 32.1 25.6 -1.4 215 217 A T H X S+ 0 0 44 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.828 103.0 61.2 -68.3 -29.4 35.2 23.8 -2.4 216 218 A L H X S+ 0 0 125 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.932 110.5 40.3 -59.8 -44.6 33.5 20.4 -2.0 217 219 A I H X S+ 0 0 27 -4,-1.2 4,-1.9 1,-0.2 3,-0.2 0.880 110.0 58.1 -75.9 -34.9 30.9 21.4 -4.7 218 220 A M H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.871 101.9 57.2 -57.4 -35.8 33.6 23.0 -6.8 219 221 A Q H X S+ 0 0 104 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.876 103.5 52.7 -64.8 -36.5 35.3 19.6 -6.9 220 222 A L H X S+ 0 0 79 -4,-1.1 4,-2.2 -3,-0.2 -1,-0.2 0.899 108.9 49.0 -62.5 -41.9 32.2 18.1 -8.3 221 223 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.937 112.8 48.7 -60.3 -44.1 32.2 20.7 -11.1 222 224 A R H X S+ 0 0 87 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.914 107.7 53.9 -60.4 -45.7 35.9 19.9 -11.7 223 225 A D H X S+ 0 0 71 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.916 111.0 46.9 -55.3 -47.1 35.1 16.1 -11.7 224 226 A N H X S+ 0 0 28 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.924 109.4 52.3 -60.8 -47.3 32.5 16.7 -14.5 225 227 A L H X S+ 0 0 6 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.858 110.4 49.6 -58.0 -37.5 34.8 18.9 -16.5 226 228 A T H < S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.2 47.6 -68.8 -37.9 37.4 16.1 -16.3 227 229 A L H < S+ 0 0 131 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.855 117.7 42.8 -66.0 -36.5 34.8 13.6 -17.5 228 230 A W H < 0 0 31 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.543 360.0 360.0 -92.7 -12.3 33.6 15.9 -20.3 229 231 A T < 0 0 141 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 0.164 360.0 360.0-124.6 360.0 36.9 17.2 -21.7