==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 30-SEP-10 3P1Q . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANDERS,Y.HIGUCHI,B.SCHUMACHER,P.THIEL,N.KATO,C.OTTMANN . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 78.1 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 2 0 0 1 0 1 0 0 2 1 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 -4 A G 0 0 77 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.6 -3.5 -11.7 -6.3 2 -3 A A + 0 0 102 1,-0.0 3,-0.3 0, 0.0 27,-0.0 -0.917 360.0 16.1 -69.8 -7.2 -1.9 -9.4 -6.3 3 -2 A M S > S+ 0 0 41 1,-0.2 3,-1.8 2,-0.1 8,-0.1 0.397 98.6 102.1 -98.3 4.5 0.3 -11.9 -8.2 4 -1 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 32,-0.0 4,-0.1 0.734 78.8 51.9 -62.5 -21.4 -2.4 -14.4 -8.9 5 0 A S T 3 S+ 0 0 122 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.533 92.2 91.9 -90.3 -6.7 -2.9 -13.3 -12.5 6 1 A M S < S- 0 0 40 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.769 83.3-109.8 -93.1 137.4 0.8 -13.7 -13.3 7 2 A E > - 0 0 142 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.217 24.0-122.6 -54.1 143.2 2.2 -16.9 -14.8 8 3 A R H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 113.3 49.8 -51.8 -47.6 4.5 -18.8 -12.4 9 4 A A H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 109.8 52.0 -67.3 -34.1 7.4 -18.7 -14.9 10 5 A S H > S+ 0 0 40 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.877 107.6 51.6 -66.1 -40.8 6.9 -14.9 -15.3 11 6 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.933 112.3 47.0 -61.7 -42.5 7.1 -14.4 -11.5 12 7 A I H X S+ 0 0 12 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 112.2 49.5 -62.7 -47.2 10.3 -16.4 -11.4 13 8 A Q H X S+ 0 0 124 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.929 113.6 46.3 -57.0 -47.3 11.7 -14.4 -14.4 14 9 A K H X S+ 0 0 83 -4,-3.1 4,-3.3 1,-0.2 -2,-0.2 0.864 106.9 57.8 -67.5 -33.2 10.8 -11.1 -12.7 15 10 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.907 108.0 47.6 -61.1 -42.7 12.2 -12.2 -9.3 16 11 A K H X S+ 0 0 73 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.877 112.5 48.4 -65.9 -35.2 15.6 -12.7 -11.1 17 12 A L H X S+ 0 0 96 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.924 110.8 51.0 -68.3 -41.3 15.3 -9.3 -12.7 18 13 A A H <>S+ 0 0 7 -4,-3.3 5,-3.0 1,-0.2 4,-0.2 0.888 108.0 53.8 -64.7 -39.8 14.4 -7.7 -9.3 19 14 A E H ><5S+ 0 0 80 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.921 109.0 47.8 -55.2 -46.9 17.5 -9.5 -7.9 20 15 A Q H 3<5S+ 0 0 139 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.858 114.7 46.1 -68.1 -31.3 19.7 -7.9 -10.6 21 16 A A T 3<5S- 0 0 63 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.350 110.3-124.0 -86.1 2.7 18.1 -4.5 -9.9 22 17 A E T < 5 + 0 0 141 -3,-1.4 2,-1.1 -4,-0.2 -3,-0.2 0.841 63.7 144.3 49.2 39.7 18.5 -5.0 -6.1 23 18 A R >< + 0 0 147 -5,-3.0 4,-2.4 1,-0.2 -1,-0.2 -0.685 17.7 167.6-101.7 78.3 14.7 -4.4 -5.8 24 19 A Y H > + 0 0 47 -2,-1.1 4,-2.8 1,-0.2 32,-0.2 0.816 67.9 56.4 -72.5 -31.8 14.3 -6.9 -3.0 25 20 A E H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 112.6 42.9 -64.3 -42.4 10.8 -6.0 -1.9 26 21 A D H > S+ 0 0 60 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 112.5 54.0 -63.7 -42.4 9.6 -6.7 -5.5 27 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 109.7 48.2 -58.9 -43.2 11.7 -9.8 -5.6 28 23 A A H X S+ 0 0 5 -4,-2.8 4,-2.9 24,-0.2 -1,-0.2 0.924 111.4 49.0 -66.8 -40.8 10.0 -11.0 -2.4 29 24 A A H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.898 111.3 49.8 -67.1 -37.9 6.5 -10.3 -3.7 30 25 A F H X S+ 0 0 31 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.927 113.1 46.6 -64.3 -45.9 7.3 -12.1 -7.0 31 26 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.879 109.4 53.7 -67.2 -34.4 8.6 -15.1 -5.1 32 27 A K H X S+ 0 0 67 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.934 109.5 49.0 -59.7 -45.2 5.6 -15.1 -2.7 33 28 A G H X S+ 0 0 4 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.905 110.4 51.3 -58.9 -41.3 3.3 -15.1 -5.7 34 29 A A H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 5,-0.4 0.935 110.3 48.1 -61.1 -43.8 5.4 -18.0 -7.2 35 30 A V H >< S+ 0 0 7 -4,-2.7 3,-2.3 1,-0.3 -1,-0.2 0.913 105.3 60.2 -63.1 -39.6 5.1 -20.0 -3.9 36 31 A E H 3< S+ 0 0 95 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.613 82.5 80.0 -69.1 -9.0 1.3 -19.3 -3.9 37 32 A K T << S- 0 0 68 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.726 104.2-127.5 -67.3 -18.7 1.0 -21.1 -7.2 38 33 A G < + 0 0 68 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.349 67.9 120.2 95.7 -6.3 1.1 -24.2 -5.0 39 34 A E S S- 0 0 122 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.622 71.6-100.0 -87.2 151.7 3.9 -26.1 -6.8 40 35 A E - 0 0 117 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.276 40.6-117.9 -61.7 158.3 7.1 -27.1 -5.0 41 36 A L - 0 0 8 71,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.789 20.4-125.9 -98.7 147.4 10.1 -24.8 -5.7 42 37 A S > - 0 0 51 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.227 35.5 -95.6 -74.3 169.6 13.3 -26.0 -7.3 43 38 A N H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.928 127.6 46.8 -52.4 -48.9 16.7 -25.5 -5.7 44 39 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 112.7 50.8 -64.5 -38.5 17.3 -22.2 -7.7 45 40 A E H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 107.1 53.4 -67.8 -37.8 13.8 -21.0 -6.8 46 41 A R H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.941 108.3 50.9 -63.8 -44.1 14.3 -21.7 -3.1 47 42 A N H X S+ 0 0 65 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.922 109.7 49.8 -60.7 -38.8 17.5 -19.6 -3.2 48 43 A L H X S+ 0 0 19 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.916 111.2 49.6 -64.9 -42.3 15.6 -16.7 -4.9 49 44 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.939 114.7 43.5 -59.1 -48.8 12.9 -16.9 -2.2 50 45 A S H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.918 113.0 50.9 -70.8 -39.6 15.4 -16.9 0.7 51 46 A V H X S+ 0 0 52 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.914 109.5 51.9 -61.0 -39.7 17.6 -14.1 -0.8 52 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -24,-0.2 0.974 116.6 36.8 -63.8 -55.5 14.6 -11.9 -1.4 53 48 A Y H X S+ 0 0 12 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.876 112.3 58.4 -68.9 -33.5 13.2 -12.1 2.1 54 49 A K H X S+ 0 0 33 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.905 110.4 44.7 -63.8 -39.2 16.7 -12.1 3.8 55 50 A N H X S+ 0 0 71 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.879 114.0 47.9 -68.3 -42.1 17.4 -8.8 2.2 56 51 A V H X S+ 0 0 20 -4,-2.0 4,-1.8 2,-0.2 3,-0.2 0.965 118.5 39.8 -62.3 -51.2 14.1 -7.2 3.0 57 52 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.840 110.6 60.3 -71.3 -28.7 14.2 -8.3 6.6 58 53 A G H X S+ 0 0 25 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.920 106.1 46.6 -63.0 -42.3 17.8 -7.5 6.8 59 54 A G H X S+ 0 0 45 -4,-1.8 4,-2.4 -3,-0.2 -1,-0.2 0.887 113.9 48.3 -64.3 -41.7 17.2 -3.9 6.0 60 55 A Q H X S+ 0 0 31 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.906 112.0 49.3 -66.4 -40.8 14.3 -3.7 8.5 61 56 A R H X S+ 0 0 4 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.923 110.2 50.3 -66.4 -43.4 16.4 -5.3 11.2 62 57 A A H X S+ 0 0 42 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.924 113.6 46.3 -59.9 -41.5 19.3 -3.0 10.6 63 58 A A H X S+ 0 0 39 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.922 110.4 52.6 -64.4 -45.3 16.9 -0.1 10.9 64 59 A W H X S+ 0 0 35 -4,-2.8 4,-3.5 1,-0.2 5,-0.2 0.917 108.4 51.6 -57.4 -40.8 15.3 -1.5 14.0 65 60 A R H X S+ 0 0 80 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.920 108.6 50.1 -65.5 -39.4 18.7 -1.7 15.6 66 61 A V H X S+ 0 0 89 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.946 115.9 42.5 -58.7 -48.8 19.5 1.9 14.8 67 62 A L H X S+ 0 0 23 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.921 112.1 53.3 -71.0 -39.5 16.2 3.0 16.3 68 63 A S H X S+ 0 0 26 -4,-3.5 4,-2.8 -5,-0.2 -1,-0.2 0.883 108.2 51.6 -58.2 -40.4 16.4 0.7 19.3 69 64 A S H X S+ 0 0 71 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.919 111.3 46.7 -60.7 -45.8 19.9 2.2 20.1 70 65 A I H X S+ 0 0 84 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.932 112.8 50.2 -61.3 -47.0 18.5 5.7 20.0 71 66 A E H X S+ 0 0 24 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.925 109.1 51.0 -59.7 -44.9 15.6 4.6 22.1 72 67 A Q H >< S+ 0 0 70 -4,-2.8 3,-0.8 1,-0.2 4,-0.2 0.913 110.1 49.2 -63.9 -42.8 17.9 3.0 24.7 73 68 A K H >< S+ 0 0 57 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.886 106.1 57.0 -60.0 -39.3 20.1 6.2 24.9 74 69 A S H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.720 105.2 53.9 -66.3 -18.3 16.9 8.3 25.4 75 70 A N T << S+ 0 0 125 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.438 88.4 106.0 -93.5 -0.3 16.1 6.1 28.4 76 71 A E S X S- 0 0 119 -3,-1.7 3,-1.7 -4,-0.2 2,-0.1 -0.335 85.8 -83.9 -79.3 158.8 19.5 6.7 30.2 77 72 A E T 3 S+ 0 0 132 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 -0.417 117.0 19.3 -59.3 130.4 20.0 8.9 33.3 78 73 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.359 89.5 137.1 89.0 -5.0 20.5 12.6 32.2 79 74 A S < - 0 0 50 -3,-1.7 -1,-0.3 -6,-0.1 2,-0.2 -0.588 59.2-113.8 -76.4 134.1 18.9 12.1 28.8 80 75 A E - 0 0 154 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.475 29.9-110.9 -70.2 132.2 16.5 14.9 27.7 81 76 A E + 0 0 148 -2,-0.2 -1,-0.1 1,-0.1 -6,-0.1 -0.476 39.7 173.3 -59.7 118.9 12.8 13.8 27.4 82 77 A K - 0 0 168 1,-0.4 3,-0.4 -2,-0.3 -1,-0.1 0.348 40.6-117.5-115.9 7.7 12.0 14.0 23.7 83 78 A G - 0 0 34 1,-0.2 3,-0.4 2,-0.1 -1,-0.4 -0.352 47.8 -47.2 88.9-166.9 8.5 12.5 23.8 84 79 A P S > S+ 0 0 52 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.466 101.1 97.6 -86.1 -0.1 7.1 9.4 22.2 85 80 A E H > S+ 0 0 114 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.843 82.0 49.3 -68.1 -40.9 8.4 9.7 18.7 86 81 A V H > S+ 0 0 41 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.960 116.1 43.7 -58.6 -48.0 11.5 7.4 19.0 87 82 A R H > S+ 0 0 103 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.942 114.6 51.2 -65.2 -40.3 9.4 4.7 20.6 88 83 A E H X S+ 0 0 97 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.932 113.4 43.1 -63.0 -44.5 6.6 5.2 18.0 89 84 A Y H X S+ 0 0 123 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.921 112.5 51.7 -75.7 -34.1 8.9 5.0 15.1 90 85 A R H X S+ 0 0 36 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.914 112.0 49.7 -59.5 -45.4 10.8 2.0 16.5 91 86 A E H X S+ 0 0 71 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.880 107.8 53.1 -60.3 -39.7 7.4 0.3 17.0 92 87 A K H X S+ 0 0 115 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.943 113.8 41.8 -59.4 -52.7 6.4 1.1 13.4 93 88 A V H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.917 114.4 53.2 -62.4 -41.8 9.5 -0.5 12.0 94 89 A E H X S+ 0 0 24 -4,-3.0 4,-3.1 -5,-0.2 -2,-0.2 0.911 108.4 49.1 -60.7 -43.0 9.2 -3.4 14.4 95 90 A T H X S+ 0 0 86 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.907 112.2 47.8 -66.4 -40.1 5.6 -4.1 13.4 96 91 A E H X S+ 0 0 97 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.912 112.0 50.0 -67.4 -39.2 6.5 -4.1 9.7 97 92 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.924 110.6 50.0 -62.3 -47.0 9.5 -6.4 10.4 98 93 A Q H X S+ 0 0 58 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.896 108.1 54.6 -57.4 -38.8 7.1 -8.7 12.3 99 94 A G H X S+ 0 0 32 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.885 107.5 48.4 -65.5 -37.7 4.7 -8.7 9.4 100 95 A V H X S+ 0 0 24 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.932 111.8 49.7 -68.1 -45.0 7.4 -9.8 7.0 101 96 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.935 111.4 49.5 -58.9 -40.6 8.5 -12.6 9.4 102 97 A D H X S+ 0 0 95 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.876 109.2 52.7 -66.8 -33.1 4.8 -13.6 9.7 103 98 A T H X S+ 0 0 52 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.946 112.8 43.3 -66.8 -44.0 4.5 -13.6 5.9 104 99 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.947 113.7 50.8 -69.1 -46.0 7.5 -15.9 5.4 105 100 A L H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.891 109.9 51.9 -59.9 -37.2 6.5 -18.2 8.3 106 101 A G H X S+ 0 0 34 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.894 107.8 50.1 -66.9 -35.8 3.0 -18.4 6.7 107 102 A L H <>S+ 0 0 9 -4,-2.1 5,-1.8 2,-0.2 -2,-0.2 0.908 111.7 49.4 -64.2 -43.3 4.5 -19.4 3.3 108 103 A L H <>S+ 0 0 2 -4,-2.5 5,-2.6 1,-0.2 6,-0.5 0.915 116.7 41.9 -62.1 -41.6 6.6 -22.1 5.0 109 104 A D H <5S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.684 105.7 68.0 -77.1 -18.9 3.5 -23.3 6.9 110 105 A S T <5S- 0 0 62 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.634 131.7 -52.6-137.6 78.1 1.2 -23.1 3.8 111 106 A H T >5S+ 0 0 108 -3,-0.4 4,-1.5 -2,-0.2 -3,-0.2 -0.747 111.6 93.0-143.4 39.0 2.5 -25.3 2.3 112 107 A L H >4 S- 0 0 119 1,-0.1 4,-2.8 4,-0.0 3,-0.4 -0.515 82.2-123.9 -74.9 145.2 14.0 -34.2 0.0 119 114 A A H > S+ 0 0 15 1,-0.2 4,-3.2 2,-0.2 5,-0.5 0.878 107.8 58.4 -57.2 -41.2 16.6 -33.3 2.6 120 115 A E H > S+ 0 0 67 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.867 115.5 35.4 -58.0 -38.8 17.9 -30.3 0.6 121 116 A S H > S+ 0 0 9 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.904 118.4 49.7 -82.1 -42.9 14.4 -28.7 0.5 122 117 A R H X S+ 0 0 61 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.937 114.3 44.0 -61.8 -46.9 13.3 -29.8 4.0 123 118 A V H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.901 112.7 53.8 -65.6 -43.7 16.4 -28.6 5.8 124 119 A F H X S+ 0 0 18 -4,-1.0 4,-2.6 -5,-0.5 -1,-0.2 0.939 112.1 43.0 -53.2 -50.9 16.4 -25.3 3.8 125 120 A Y H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.853 113.5 51.4 -70.2 -34.4 12.8 -24.5 4.7 126 121 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.878 108.2 52.4 -69.8 -36.7 13.3 -25.5 8.4 127 122 A K H X S+ 0 0 23 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.938 110.2 48.9 -59.6 -47.3 16.4 -23.2 8.5 128 123 A M H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.911 109.3 51.8 -57.4 -41.7 14.3 -20.4 7.1 129 124 A K H X S+ 0 0 61 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.932 111.7 47.0 -61.3 -44.0 11.6 -21.2 9.8 130 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.906 112.9 50.5 -55.8 -47.9 14.4 -21.0 12.5 131 126 A D H X S+ 0 0 2 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.916 111.3 45.5 -62.8 -45.9 15.7 -17.7 11.0 132 127 A Y H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.845 114.1 48.1 -75.0 -34.2 12.3 -15.9 10.9 133 128 A Y H X S+ 0 0 59 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.877 110.5 53.6 -65.6 -36.7 11.4 -17.0 14.4 134 129 A R H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.912 107.4 50.4 -62.3 -42.7 14.9 -15.8 15.4 135 130 A Y H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.888 110.0 49.8 -61.8 -38.9 14.2 -12.4 13.9 136 131 A L H >X S+ 0 0 15 -4,-1.8 4,-1.0 1,-0.2 3,-0.8 0.907 109.3 53.1 -58.8 -40.5 10.9 -12.3 15.8 137 132 A A H 3< S+ 0 0 1 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.844 97.9 65.1 -66.1 -33.5 12.9 -13.2 19.0 138 133 A E H 3< S+ 0 0 38 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.812 115.4 28.9 -59.3 -31.7 15.3 -10.3 18.4 139 134 A V H << S+ 0 0 2 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.415 94.1 113.8-106.3 -3.9 12.5 -7.8 18.9 140 135 A A < + 0 0 13 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.483 21.7 153.6 -75.4 137.6 10.3 -9.8 21.3 141 136 A T + 0 0 132 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.371 49.8 77.3-140.7 -8.2 10.0 -8.4 24.8 142 137 A G S > S- 0 0 49 1,-0.0 3,-1.9 3,-0.0 4,-0.4 -0.011 99.9 -60.9 -98.9-161.0 6.6 -9.7 26.0 143 138 A D T 3 S+ 0 0 165 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.659 127.9 53.6 -51.4 -25.4 4.7 -12.8 27.3 144 139 A D T 3> S+ 0 0 89 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.423 74.4 98.4 -98.1 -8.0 5.6 -14.6 24.1 145 140 A K H <> S+ 0 0 76 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 0.913 85.0 49.1 -54.2 -49.7 9.3 -14.3 23.9 146 141 A K H > S+ 0 0 178 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.909 112.0 47.9 -59.0 -41.7 10.1 -17.7 25.4 147 142 A R H > S+ 0 0 168 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 111.5 50.7 -68.4 -38.6 7.7 -19.5 23.0 148 143 A I H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.938 111.3 48.9 -60.2 -47.3 9.1 -17.6 20.0 149 144 A I H X S+ 0 0 36 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.928 111.7 49.2 -58.4 -43.5 12.6 -18.6 21.1 150 145 A D H X S+ 0 0 82 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.860 107.4 54.6 -67.8 -33.8 11.5 -22.2 21.4 151 146 A S H X S+ 0 0 43 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.907 110.7 46.1 -62.2 -43.5 9.9 -22.1 18.0 152 147 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.963 114.2 48.6 -61.9 -49.5 13.2 -21.0 16.5 153 148 A R H X S+ 0 0 87 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.910 111.3 49.4 -55.0 -48.4 15.1 -23.6 18.5 154 149 A S H X S+ 0 0 58 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.908 112.4 46.9 -61.5 -44.2 12.7 -26.4 17.4 155 150 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.944 115.2 45.7 -64.0 -48.5 12.8 -25.5 13.7 156 151 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.893 112.1 52.6 -59.0 -41.6 16.7 -25.3 13.8 157 152 A Q H X S+ 0 0 66 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.914 109.6 46.9 -62.0 -48.3 16.9 -28.6 15.8 158 153 A E H X S+ 0 0 80 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.909 113.2 50.0 -63.9 -38.7 14.7 -30.5 13.3 159 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.890 111.4 48.9 -61.1 -43.6 16.8 -29.1 10.4 160 155 A M H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.910 109.6 51.9 -63.9 -43.3 20.0 -30.1 12.2 161 156 A D H X S+ 0 0 69 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.933 114.7 41.6 -60.9 -44.9 18.7 -33.6 12.8 162 157 A I H X S+ 0 0 19 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.934 114.1 52.1 -69.3 -42.2 17.8 -34.1 9.1 163 158 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.889 109.2 49.9 -65.2 -38.7 21.0 -32.4 7.8 164 159 A K H < S+ 0 0 106 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.868 117.4 40.1 -66.4 -35.6 23.2 -34.6 10.0 165 160 A K H < S+ 0 0 143 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.860 129.8 25.9 -77.3 -34.2 21.5 -37.8 8.8 166 161 A E H < S+ 0 0 126 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.478 109.6 58.6-115.1 -8.4 21.1 -36.8 5.1 167 162 A M S < S- 0 0 13 -4,-2.0 -1,-0.0 -5,-0.3 0, 0.0 -0.938 78.6-107.7-131.2 147.7 23.8 -34.3 4.0 168 163 A P > - 0 0 60 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.362 37.5-110.2 -69.8 158.4 27.5 -34.3 3.9 169 164 A P T 3 S+ 0 0 48 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.621 117.5 53.6 -67.0 -14.1 29.2 -32.1 6.5 170 165 A T T 3 S+ 0 0 2 35,-0.1 55,-0.1 39,-0.1 36,-0.1 0.401 74.4 126.6 -93.8 -3.0 30.4 -29.7 3.7 171 166 A H <> - 0 0 42 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 -0.353 63.1-134.8 -60.5 130.7 27.0 -29.2 2.2 172 167 A P H > S+ 0 0 58 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.839 104.9 51.5 -60.0 -28.6 26.4 -25.5 2.1 173 168 A I H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 111.4 48.9 -71.2 -43.5 22.9 -25.7 3.5 174 169 A R H > S+ 0 0 14 -3,-0.2 4,-2.2 -6,-0.2 -1,-0.2 0.930 113.7 46.0 -53.4 -50.3 24.2 -27.8 6.4 175 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.914 113.6 47.9 -65.7 -42.3 27.0 -25.3 7.0 176 171 A G H X S+ 0 0 3 -4,-2.6 4,-2.2 -5,-0.2 67,-0.3 0.867 110.7 51.7 -66.7 -39.2 24.7 -22.2 6.8 177 172 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.931 111.7 46.9 -60.0 -44.5 22.1 -23.8 9.1 178 173 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.905 109.5 54.1 -68.3 -39.9 24.8 -24.5 11.6 179 174 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.945 114.9 40.3 -53.4 -47.6 26.2 -21.0 11.3 180 175 A N H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.857 113.2 52.1 -77.7 -35.6 22.8 -19.5 12.1 181 176 A F H X S+ 0 0 7 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.892 109.8 51.8 -66.9 -35.3 21.8 -22.0 14.8 182 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.931 109.7 48.1 -63.4 -43.7 25.2 -21.1 16.4 183 178 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.935 109.1 55.1 -61.0 -42.5 24.3 -17.3 16.2 184 179 A F H X>S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 5,-2.3 0.954 110.0 46.1 -53.7 -49.0 20.9 -18.2 17.7 185 180 A H H <5S+ 0 0 18 -4,-2.7 6,-3.3 1,-0.2 -1,-0.2 0.920 114.8 47.3 -60.9 -42.6 22.7 -19.9 20.7 186 181 A Y H <5S+ 0 0 87 -4,-2.6 -1,-0.2 4,-0.2 -2,-0.2 0.913 128.9 15.9 -67.5 -43.0 25.1 -17.0 21.2 187 182 A E H <5S+ 0 0 70 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.669 131.8 33.0-116.3 -11.9 22.7 -14.1 21.1 188 183 A I T <5S+ 0 0 28 -4,-2.4 -3,-0.2 -5,-0.5 -4,-0.1 0.791 123.4 37.1-105.3 -47.8 19.1 -15.3 21.5 189 184 A A S + 0 0 43 -6,-3.3 4,-2.3 -7,-0.2 3,-0.3 -0.547 20.9 159.7-133.4 64.4 24.3 -20.0 25.4 192 187 A P H > S+ 0 0 53 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.870 76.2 56.5 -62.8 -31.2 27.7 -18.8 24.0 193 188 A E H > S+ 0 0 163 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 109.4 45.2 -62.2 -43.5 29.4 -22.1 24.9 194 189 A E H > S+ 0 0 103 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.903 112.2 52.6 -67.3 -38.9 26.9 -24.0 22.8 195 190 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.928 113.1 43.9 -61.0 -43.1 27.3 -21.5 20.0 196 191 A I H X S+ 0 0 29 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.914 113.5 50.7 -70.0 -44.0 31.1 -21.9 20.0 197 192 A S H X S+ 0 0 63 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.915 112.1 47.2 -58.8 -42.7 30.9 -25.7 20.3 198 193 A L H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.925 112.7 47.4 -66.9 -44.9 28.6 -25.9 17.4 199 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.929 115.2 47.4 -61.6 -42.6 30.6 -23.5 15.2 200 195 A K H X S+ 0 0 102 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.941 114.3 44.5 -60.7 -55.3 33.9 -25.4 16.0 201 196 A T H X S+ 0 0 67 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.922 114.3 50.3 -61.0 -43.3 32.5 -28.9 15.5 202 197 A T H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.933 113.3 45.0 -57.7 -49.4 30.8 -27.8 12.3 203 198 A F H X S+ 0 0 30 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.937 113.8 49.5 -63.5 -45.6 34.0 -26.2 10.9 204 199 A D H X S+ 0 0 92 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.895 111.3 47.7 -64.6 -40.1 36.1 -29.2 11.9 205 200 A E H X S+ 0 0 98 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.839 112.0 50.4 -70.0 -34.5 33.9 -31.8 10.3 206 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 4,-0.9 0.939 107.1 54.9 -66.8 -45.9 33.6 -29.8 7.1 207 202 A M H >< S+ 0 0 90 -4,-2.9 3,-0.8 1,-0.3 4,-0.3 0.878 106.2 51.4 -52.8 -40.3 37.4 -29.5 7.0 208 203 A A H 3< S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.629 111.9 47.6 -74.0 -15.9 37.8 -33.3 7.2 209 204 A D H X< S+ 0 0 26 -3,-1.6 3,-1.9 -4,-0.5 4,-0.3 0.449 82.5 92.9-100.3 -11.9 35.3 -33.7 4.3 210 205 A L G X< S+ 0 0 8 -4,-0.9 3,-2.1 -3,-0.8 -2,-0.1 0.835 73.0 69.9 -56.4 -30.8 36.8 -31.2 1.9 211 206 A H G 3 S+ 0 0 159 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.681 92.0 59.7 -62.6 -15.1 39.0 -33.8 0.2 212 207 A T G < S+ 0 0 79 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.518 92.2 96.3 -86.5 -9.6 35.9 -35.4 -1.3 213 208 A L S < S- 0 0 43 -3,-2.1 2,-0.1 -4,-0.3 -3,-0.0 -0.558 71.6-123.1 -96.7 149.4 35.0 -32.2 -3.2 214 209 A S > - 0 0 68 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.346 44.9 -96.5 -66.5 160.1 35.5 -30.9 -6.7 215 210 A E H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.913 126.9 48.5 -48.8 -44.2 37.3 -27.5 -7.0 216 211 A D H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 112.9 45.1 -66.9 -44.9 33.8 -25.8 -7.3 217 212 A S H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.919 110.4 56.4 -60.3 -44.2 32.3 -27.5 -4.3 218 213 A Y H X S+ 0 0 119 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.924 106.7 50.3 -52.7 -50.0 35.5 -26.8 -2.3 219 214 A K H X S+ 0 0 138 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.936 113.3 43.9 -57.6 -48.9 35.1 -23.1 -3.0 220 215 A D H X S+ 0 0 36 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.772 113.5 47.6 -79.7 -15.8 31.5 -22.9 -1.9 221 216 A S H >X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 3,-0.7 0.945 110.0 54.7 -73.6 -48.2 31.8 -25.0 1.3 222 217 A T H 3X S+ 0 0 47 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.805 100.3 62.9 -58.3 -27.6 35.0 -23.0 2.3 223 218 A L H 3X S+ 0 0 99 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.945 109.6 36.3 -61.2 -48.7 33.0 -19.7 2.0 224 219 A I H