==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 13-DEC-12 4IEA . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MOLZAN,C.OTTMANN . 238 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 78.6 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 . 13 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 69.3 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 0 2 0 0 2 0 0 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 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.9 -43.0 -10.6 -6.4 2 -2 A M > + 0 0 57 4,-0.0 3,-1.8 31,-0.0 8,-0.1 -0.478 360.0 112.3-100.7 48.5 -40.8 -11.8 -8.1 3 -1 A G T 3 S+ 0 0 53 1,-0.3 0, 0.0 32,-0.0 0, 0.0 0.714 75.2 51.8 -60.2 -26.5 -43.6 -14.3 -8.9 4 0 A S T 3 S+ 0 0 123 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.460 91.5 91.7 -86.9 -8.1 -43.9 -13.2 -12.5 5 1 A M S < S- 0 0 34 -3,-1.8 5,-0.0 1,-0.1 2,-0.0 -0.794 82.1-111.4 -91.8 137.4 -40.2 -13.6 -13.4 6 2 A E > - 0 0 141 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.292 23.8-122.2 -56.1 146.6 -38.8 -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 0.910 112.9 50.5 -54.9 -48.8 -36.5 -18.7 -12.5 8 4 A A H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 109.7 51.4 -63.7 -35.4 -33.6 -18.6 -15.0 9 5 A S H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.890 107.8 52.6 -68.2 -34.3 -34.1 -14.8 -15.4 10 6 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.913 111.6 46.1 -63.5 -41.7 -34.0 -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 0.926 113.3 49.4 -67.9 -42.6 -30.7 -16.3 -11.4 12 8 A Q H X S+ 0 0 124 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.934 112.7 47.0 -62.3 -45.9 -29.3 -14.4 -14.3 13 9 A K H X S+ 0 0 89 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.841 107.7 56.5 -66.3 -34.0 -30.3 -11.0 -12.7 14 10 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 107.9 48.7 -63.8 -35.7 -28.8 -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 0.873 112.7 47.6 -69.4 -36.0 -25.5 -12.6 -11.1 16 12 A L H X S+ 0 0 94 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.927 111.6 50.6 -69.5 -39.4 -25.8 -9.2 -12.8 17 13 A A H <>S+ 0 0 8 -4,-3.0 5,-2.9 1,-0.2 4,-0.2 0.893 108.2 52.4 -67.8 -37.7 -26.7 -7.6 -9.4 18 14 A E H ><5S+ 0 0 62 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.940 109.1 50.0 -62.6 -41.2 -23.6 -9.3 -7.9 19 15 A Q H 3<5S+ 0 0 147 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 113.5 46.3 -63.7 -32.0 -21.4 -7.8 -10.6 20 16 A A T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.334 111.8-122.0 -89.2 4.2 -22.9 -4.4 -9.9 21 17 A E T < 5 + 0 0 141 -3,-1.6 2,-1.0 -4,-0.2 -3,-0.2 0.816 65.9 142.2 51.0 38.7 -22.5 -4.8 -6.2 22 18 A R >< + 0 0 147 -5,-2.9 4,-2.2 1,-0.2 -1,-0.2 -0.701 17.7 166.6-104.2 75.3 -26.3 -4.3 -5.8 23 19 A Y H > + 0 0 57 -2,-1.0 4,-2.6 2,-0.2 32,-0.2 0.798 68.3 56.8 -71.4 -31.0 -26.7 -6.9 -3.0 24 20 A E H > S+ 0 0 156 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 112.1 44.1 -60.1 -45.0 -30.2 -5.9 -1.9 25 21 A D H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.900 111.9 53.6 -63.5 -42.2 -31.4 -6.5 -5.5 26 22 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.914 109.3 48.8 -58.9 -44.3 -29.4 -9.7 -5.6 27 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.5 24,-0.3 -1,-0.2 0.902 110.8 49.1 -62.5 -42.0 -31.0 -11.0 -2.4 28 24 A A H X S+ 0 0 47 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.880 111.2 49.8 -68.2 -38.0 -34.5 -10.2 -3.7 29 25 A F H X S+ 0 0 38 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.924 114.4 45.8 -62.2 -42.5 -33.8 -12.0 -7.0 30 26 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.857 109.1 53.3 -71.8 -32.6 -32.5 -15.0 -5.1 31 27 A K H X S+ 0 0 65 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.932 109.8 50.1 -62.9 -46.6 -35.4 -15.0 -2.7 32 28 A G H X S+ 0 0 4 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.909 110.3 50.7 -56.1 -45.0 -37.7 -15.1 -5.8 33 29 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 5,-0.4 0.921 110.4 47.5 -59.1 -44.7 -35.7 -18.0 -7.2 34 30 A V H >< S+ 0 0 8 -4,-2.8 3,-2.4 1,-0.2 -1,-0.2 0.909 106.0 59.9 -60.9 -41.0 -36.0 -20.0 -3.9 35 31 A E H 3< S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.627 83.6 79.3 -71.7 -7.0 -39.7 -19.3 -3.8 36 32 A K T << S- 0 0 73 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.733 104.3-127.6 -68.0 -16.2 -40.1 -21.0 -7.2 37 33 A G < + 0 0 44 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.335 67.1 122.2 94.1 -6.4 -40.0 -24.2 -5.1 38 34 A E S S- 0 0 129 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.598 70.0-103.4 -85.1 147.5 -37.2 -26.1 -7.0 39 35 A E - 0 0 108 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.201 40.8-116.2 -60.8 158.6 -34.1 -27.1 -5.1 40 36 A L - 0 0 9 67,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.829 18.6-127.5-102.0 143.4 -31.0 -25.0 -5.7 41 37 A S > - 0 0 50 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.269 36.0 -94.7 -74.0 175.7 -27.8 -26.1 -7.3 42 38 A C H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.936 127.6 46.0 -58.5 -47.7 -24.3 -25.5 -5.7 43 39 A E H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 113.1 50.6 -63.8 -41.9 -23.8 -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 0.885 107.4 53.3 -62.2 -41.6 -27.3 -21.0 -6.8 45 41 A R H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.922 109.1 50.7 -58.2 -45.0 -26.8 -21.8 -3.1 46 42 A N H X S+ 0 0 64 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.904 108.2 50.5 -63.0 -35.6 -23.7 -19.7 -3.3 47 43 A L H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.908 110.4 50.3 -64.7 -38.6 -25.5 -16.8 -4.9 48 44 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.928 114.2 45.1 -61.4 -46.3 -28.2 -17.0 -2.2 49 45 A S H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.923 111.9 50.0 -67.2 -48.3 -25.5 -16.9 0.5 50 46 A V H X S+ 0 0 8 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.919 111.4 50.7 -54.2 -44.4 -23.4 -14.1 -1.1 51 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -24,-0.3 0.955 116.4 36.9 -65.1 -53.4 -26.5 -11.9 -1.4 52 48 A Y H X S+ 0 0 11 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.836 112.8 58.7 -72.5 -29.8 -27.7 -12.2 2.1 53 49 A K H X S+ 0 0 23 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.898 110.6 43.8 -62.7 -44.9 -24.2 -12.2 3.6 54 50 A N H X S+ 0 0 49 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.898 114.2 49.0 -68.1 -41.7 -23.6 -8.8 2.0 55 51 A V H X S+ 0 0 28 -4,-2.2 4,-1.6 -32,-0.2 3,-0.3 0.972 117.6 39.6 -57.2 -54.9 -27.0 -7.4 3.0 56 52 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.806 110.6 60.8 -71.0 -28.2 -26.8 -8.4 6.6 57 53 A G H X S+ 0 0 26 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.915 105.8 46.7 -64.1 -37.0 -23.0 -7.5 6.7 58 54 A G H X S+ 0 0 46 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.865 114.1 48.0 -63.9 -39.5 -23.8 -3.9 5.9 59 55 A Q H X S+ 0 0 29 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.879 112.5 49.3 -71.3 -41.1 -26.6 -3.9 8.5 60 56 A R H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.929 110.2 50.2 -65.4 -42.0 -24.3 -5.5 11.1 61 57 A A H X S+ 0 0 50 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.913 114.0 44.9 -62.7 -45.2 -21.6 -2.9 10.5 62 58 A A H X S+ 0 0 39 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.919 110.9 53.2 -66.4 -41.1 -24.1 -0.1 10.8 63 59 A W H X S+ 0 0 37 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.903 108.5 51.6 -59.4 -42.6 -25.6 -1.6 14.0 64 60 A R H X S+ 0 0 61 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.904 108.9 49.5 -61.4 -42.3 -22.1 -1.8 15.6 65 61 A V H X S+ 0 0 89 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.944 115.8 43.6 -58.7 -51.5 -21.4 1.8 14.8 66 62 A L H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.884 111.4 52.8 -64.7 -40.2 -24.7 2.9 16.3 67 63 A S H X S+ 0 0 22 -4,-3.1 4,-3.1 -5,-0.2 -1,-0.2 0.896 108.9 50.5 -64.1 -41.0 -24.5 0.6 19.4 68 64 A S H X S+ 0 0 64 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.911 111.5 47.6 -64.0 -44.4 -21.0 2.0 20.2 69 65 A I H X S+ 0 0 82 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.907 113.3 48.9 -59.7 -41.4 -22.4 5.6 19.9 70 66 A E H X S+ 0 0 18 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.929 108.9 52.1 -65.5 -45.1 -25.3 4.6 22.1 71 67 A Q H >< S+ 0 0 111 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.940 109.4 50.7 -62.6 -43.8 -23.1 2.9 24.7 72 68 A K H >< S+ 0 0 146 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.851 102.4 59.2 -55.8 -39.7 -20.9 6.1 25.0 73 69 A S H 3< S+ 0 0 41 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.706 101.0 60.8 -63.3 -18.4 -24.0 8.3 25.5 74 70 A N T << 0 0 100 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.085 360.0 360.0 -98.4 20.6 -24.5 6.1 28.5 75 71 A E < 0 0 195 -3,-1.6 -3,-0.0 0, 0.0 -4,-0.0 -0.517 360.0 360.0 -62.6 360.0 -21.3 7.0 30.4 76 ! 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 77 77 A K 0 0 225 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 18.1 -29.4 13.5 25.6 78 78 A G - 0 0 50 1,-0.1 3,-0.4 2,-0.1 4,-0.3 -0.138 360.0 -92.1 113.5 162.9 -32.5 12.5 23.7 79 79 A P S > S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.485 93.0 98.8 -80.2 -4.1 -34.0 9.3 22.3 80 80 A E H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.819 79.9 47.0 -64.0 -42.9 -32.5 9.7 18.8 81 81 A V H > S+ 0 0 48 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.948 117.2 43.7 -65.5 -46.0 -29.5 7.3 19.0 82 82 A R H > S+ 0 0 103 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.931 113.6 52.1 -63.1 -41.1 -31.5 4.5 20.6 83 83 A E H X S+ 0 0 102 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.904 113.6 42.8 -60.5 -43.9 -34.4 5.0 18.1 84 84 A Y H X S+ 0 0 136 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.888 111.8 52.4 -77.0 -36.2 -32.1 4.9 15.1 85 85 A R H X S+ 0 0 34 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.907 111.2 50.3 -60.3 -42.8 -30.1 1.9 16.5 86 86 A E H X S+ 0 0 74 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.872 107.6 53.3 -61.4 -34.9 -33.5 0.2 17.0 87 87 A K H X S+ 0 0 113 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.956 112.9 41.9 -68.0 -45.4 -34.6 1.0 13.4 88 88 A V H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.934 114.8 53.2 -65.2 -44.7 -31.4 -0.6 12.0 89 89 A E H X S+ 0 0 31 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.892 108.2 49.0 -53.3 -43.6 -31.8 -3.5 14.4 90 90 A T H X S+ 0 0 82 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.888 111.7 49.5 -67.1 -40.1 -35.3 -4.2 13.4 91 91 A E H X S+ 0 0 96 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.920 111.3 49.5 -65.4 -41.1 -34.3 -4.1 9.7 92 92 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.917 110.3 49.5 -61.2 -46.2 -31.5 -6.5 10.4 93 93 A Q H X S+ 0 0 60 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.882 108.2 55.8 -61.7 -37.6 -33.8 -8.9 12.3 94 94 A G H X S+ 0 0 33 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.885 107.0 47.3 -63.0 -38.1 -36.2 -8.7 9.4 95 95 A V H X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.944 112.9 49.5 -73.2 -41.5 -33.5 -9.9 6.9 96 96 A C H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.929 110.8 50.0 -59.0 -46.0 -32.4 -12.7 9.3 97 97 A D H X S+ 0 0 94 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.881 109.6 52.3 -62.5 -33.9 -36.1 -13.8 9.7 98 98 A T H X S+ 0 0 52 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.944 111.8 45.1 -64.2 -48.9 -36.5 -13.8 5.9 99 99 A V H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.937 113.6 49.0 -60.3 -48.5 -33.4 -16.0 5.4 100 100 A L H X S+ 0 0 17 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.890 109.6 54.2 -61.9 -33.2 -34.5 -18.3 8.2 101 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.912 106.4 49.9 -65.6 -40.2 -38.0 -18.5 6.6 102 102 A L H <>S+ 0 0 8 -4,-2.3 5,-1.9 1,-0.2 -1,-0.2 0.863 112.1 49.7 -61.7 -43.8 -36.6 -19.5 3.2 103 103 A L H <>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 6,-0.5 0.894 116.1 41.3 -64.3 -39.2 -34.6 -22.3 5.0 104 104 A D H <5S+ 0 0 100 -4,-2.2 2,-0.2 1,-0.2 -2,-0.2 0.719 106.2 67.5 -80.0 -19.2 -37.6 -23.5 6.8 105 105 A S T <5S- 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.676 132.7 -53.0-136.7 77.9 -40.0 -23.2 3.9 106 106 A H T >5S+ 0 0 97 -3,-0.3 4,-1.5 -2,-0.2 5,-0.2 -0.781 111.3 95.2-142.0 39.3 -38.6 -25.4 2.4 107 107 A L H >4 S- 0 0 115 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.525 83.2-121.6 -81.2 147.3 -27.4 -34.6 -0.1 114 114 A A H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.887 108.8 56.4 -53.7 -40.5 -24.7 -33.8 2.4 115 115 A E H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 114.7 37.2 -61.5 -41.8 -23.5 -30.7 0.5 116 116 A S H > S+ 0 0 11 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 117.7 48.9 -75.8 -42.5 -26.8 -29.1 0.4 117 117 A R H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.939 113.5 46.1 -64.9 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-77.5 -31.5 -28.5 -16.1 10.8 128 128 A Y H X S+ 0 0 58 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.880 109.3 54.6 -67.4 -32.8 -29.5 -17.2 14.3 129 129 A R H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.920 107.8 48.2 -64.4 -39.3 -26.0 -16.1 15.3 130 130 A Y H X S+ 0 0 2 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.895 111.0 51.5 -67.4 -37.2 -26.6 -12.6 13.7 131 131 A L H >X S+ 0 0 14 -4,-2.0 3,-1.1 1,-0.2 4,-0.8 0.905 108.7 51.8 -58.7 -43.6 -29.9 -12.5 15.6 132 132 A A H 3< S+ 0 0 4 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.817 96.5 66.8 -63.5 -30.9 -28.0 -13.3 18.7 133 133 A E H 3< S+ 0 0 47 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.789 114.2 30.9 -61.0 -28.3 -25.5 -10.5 18.2 134 134 A V H << S+ 0 0 6 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.379 98.8 107.1-111.1 -2.4 -28.3 -8.0 18.8 135 135 A A < - 0 0 12 -4,-0.8 3,-0.1 -3,-0.4 -3,-0.0 -0.475 40.4-177.1 -79.5 153.5 -30.5 -10.0 21.2 136 136 A T + 0 0 142 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.716 45.9 91.9-118.5 -34.5 -30.8 -9.2 24.8 137 137 A G S S- 0 0 35 3,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.803 98.4-110.3 132.3-177.4 -33.1 -12.0 26.3 138 138 A D S > S+ 0 0 70 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.700 130.6 62.0 -58.6 3.7 -34.1 -14.4 27.6 139 139 A D H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 98.7 62.6 -37.3 -46.9 -34.9 -14.2 23.9 140 140 A K H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 99.3 48.9 -56.8 -49.2 -31.1 -14.2 23.7 141 141 A K H > S+ 0 0 162 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.890 112.3 47.3 -60.1 -42.6 -30.7 -17.7 25.3 142 142 A R H X S+ 0 0 178 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.880 112.6 49.1 -65.7 -39.2 -33.2 -19.4 23.0 143 143 A I H X S+ 0 0 33 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.921 111.0 51.1 -66.9 -38.6 -31.7 -17.7 19.9 144 144 A I H X S+ 0 0 24 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.932 110.2 50.2 -64.7 -42.0 -28.2 -18.9 21.0 145 145 A D H X S+ 0 0 99 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.864 107.1 52.6 -63.9 -32.6 -29.6 -22.3 21.4 146 146 A S H X S+ 0 0 41 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.908 111.8 47.3 -68.5 -42.6 -31.1 -22.3 17.9 147 147 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 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X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.902 110.0 48.6 -65.4 -35.5 -15.8 -21.4 16.3 178 178 A V H X>S+ 0 0 4 -4,-1.8 4,-3.3 2,-0.2 5,-0.6 0.922 108.5 53.8 -69.3 -38.7 -16.8 -17.7 16.0 179 179 A F H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-2.1 0.954 111.1 46.9 -55.6 -50.1 -20.2 -18.6 17.5 180 180 A H H <5S+ 0 0 7 -4,-2.7 6,-3.1 3,-0.2 -1,-0.2 0.910 119.5 37.9 -62.8 -42.7 -18.3 -20.2 20.5 181 181 A Y H <5S+ 0 0 79 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.922 129.0 28.1 -77.0 -41.4 -15.8 -17.2 21.0 182 182 A E H <5S+ 0 0 78 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.736 134.2 20.7 -97.9 -24.1 -18.1 -14.3 20.2 183 183 A I T < + 0 0 40 -6,-3.1 4,-2.3 -7,-0.2 5,-0.2 -0.561 21.1 159.9-131.8 62.1 -16.7 -20.3 25.2 187 187 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.855 75.9 55.2 -58.8 -35.5 -13.3 -19.1 24.0 188 188 A E H > S+ 0 0 166 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 108.2 47.2 -65.6 -39.8 -11.7 -22.5 24.9 189 189 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.908 112.4 51.9 -63.4 -39.1 -14.3 -24.4 22.8 190 190 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.937 111.9 44.5 -61.5 -47.4 -13.6 -21.9 20.0 191 191 A I H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.936 113.9 50.1 -65.1 -43.3 -9.9 -22.4 20.1 192 192 A S H X S+ 0 0 63 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.936 113.3 46.7 -61.0 -43.7 -10.2 -26.3 20.4 193 193 A L H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.918 112.8 47.8 -65.8 -44.1 -12.5 -26.4 17.4 194 194 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.904 114.9 46.4 -65.6 -40.7 -10.4 -24.1 15.3 195 195 A K H X S+ 0 0 83 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.945 114.3 45.9 -68.5 -46.5 -7.2 -26.1 16.1 196 196 A T H X S+ 0 0 63 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.917 114.4 48.2 -63.1 -41.3 -8.7 -29.5 15.5 197 197 A T H X S+ 0 0 17 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.929 113.0 48.8 -66.7 -40.5 -10.3 -28.4 12.3 198 198 A F H X S+ 0 0 32 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.957 113.3 46.5 -62.5 -48.1 -7.1 -26.9 11.0 199 199 A D H X S+ 0 0 97 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.888 112.1 48.8 -65.8 -41.0 -5.0 -29.9 11.8 200 200 A E H < S+ 0 0 89 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.872 113.5 47.8 -70.6 -32.1 -7.4 -32.4 10.3 201 201 A A H >X S+ 0 0 0 -4,-2.3 3,-1.7 -5,-0.2 4,-0.8 0.932 107.9 54.6 -71.1 -41.2 -7.5 -30.3 7.1 202 202 A M H >< S+ 0 0 90 -4,-2.9 3,-1.1 1,-0.3 4,-0.3 0.924 106.7 53.9 -53.8 -41.7 -3.7 -30.0 7.0 203 203 A A T 3< S+ 0 0 73 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.604 111.0 44.3 -65.6 -17.6 -3.5 -33.8 7.1 204 204 A D T X4 S+ 0 0 29 -3,-1.7 3,-1.7 -4,-0.4 -1,-0.2 0.369 83.3 94.7-110.0 -4.4 -5.9 -34.3 4.1 205 205 A L G X< S+ 0 0 18 -3,-1.1 3,-2.0 -4,-0.8 -2,-0.1 0.801 73.2 70.9 -61.2 -24.9 -4.4 -31.6 1.8 206 206 A H G 3 S+ 0 0 157 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.720 91.9 58.3 -65.1 -21.3 -2.2 -34.2 0.1 207 207 A T G < S+ 0 0 76 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.559 93.3 96.3 -80.6 -14.3 -5.4 -35.6 -1.5 208 208 A L < - 0 0 47 -3,-2.0 2,-0.1 -4,-0.2 -3,-0.0 -0.482 70.0-125.3 -89.4 149.9 -6.2 -32.3 -3.2 209 209 A S > - 0 0 69 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.330 43.3 -97.0 -73.9 167.5 -5.7 -30.9 -6.7 210 210 A E H > S+ 0 0 158 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.882 125.6 45.9 -56.9 -41.2 -4.0 -27.5 -7.0 211 211 A D H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 114.1 46.9 -70.3 -43.6 -7.3 -25.7 -7.2 212 212 A S H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.886 110.1 54.9 -60.9 -44.8 -9.0 -27.6 -4.4 213 213 A Y H X S+ 0 0 114 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.929 107.3 49.3 -57.0 -41.7 -5.9 -27.0 -2.3 214 214 A K H X S+ 0 0 66 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.925 111.7 49.6 -64.1 -40.6 -6.1 -23.2 -2.9 215 215 A D H X S+ 0 0 102 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.918 115.8 42.1 -60.2 -46.3 -9.9 -23.3 -1.9 216 216 A S H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.930 113.0 51.4 -70.5 -46.1 -9.2 -25.2 1.4 217 217 A T H X S+ 0 0 41 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.840 100.7 63.3 -68.6 -25.8 -6.1 -23.3 2.4 218 218 A L H X S+ 0 0 78 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.947 110.8 38.6 -60.4 -41.4 -7.9 -19.9 2.0 219 219 A I H X S+ 0 0 5 -4,-1.1 4,-1.6 -3,-0.4 3,-0.4 0.892 111.5 58.1 -77.8 -36.6 -10.4 -20.9 4.8 220 220 A M H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.867 100.7 58.5 -56.9 -37.4 -7.7 -22.7 6.9 221 221 A Q H X S+ 0 0 100 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.889 102.7 52.5 -63.2 -32.1 -5.8 -19.3 6.9 222 222 A L H X S+ 0 0 29 -4,-1.0 4,-2.5 -3,-0.4 13,-0.3 0.881 106.8 52.0 -68.2 -39.2 -8.8 -17.7 8.6 223 223 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.940 112.3 47.1 -58.9 -43.6 -8.8 -20.4 11.3 224 224 A R H X S+ 0 0 89 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.926 109.6 52.4 -65.8 -40.3 -5.1 -19.6 11.9 225 225 A D H X S+ 0 0 73 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.915 111.6 47.5 -61.2 -42.9 -5.8 -15.8 11.9 226 226 A N H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.920 109.2 51.8 -64.0 -46.7 -8.4 -16.4 14.5 227 227 A L H X S+ 0 0 1 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.901 110.1 50.8 -56.8 -37.0 -6.2 -18.7 16.6 228 228 A T H < S+ 0 0 96 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.907 112.5 46.3 -67.1 -38.7 -3.5 -15.9 16.5 229 229 A L H < S+ 0 0 105 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 116.3 45.1 -66.9 -36.0 -6.1 -13.3 17.6 230 230 A W H < 0 0 21 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.469 360.0 360.0 -90.4 -9.8 -7.4 -15.6 20.4 231 231 A T < 0 0 133 -4,-0.9 0, 0.0 -3,-0.5 0, 0.0 -0.577 360.0 360.0-127.6 360.0 -4.1 -16.8 21.9 232 !* 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 0.0 233 618 P R 0 0 171 0, 0.0 -4,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 148.6 -13.5 -9.1 16.0 234 619 P S - 0 0 3 -56,-0.1 2,-0.4 1,-0.1 -8,-0.0 -0.327 360.0-112.1 -67.2 154.7 -13.0 -12.6 14.8 235 620 P A - 0 0 34 -13,-0.3 2,-0.2 -12,-0.0 -9,-0.1 -0.752 32.4-168.8 -92.0 137.3 -13.1 -13.5 11.1 236 621 P X - 0 0 36 -2,-0.4 -61,-0.1 1,-0.1 -65,-0.0 -0.512 46.4 -53.6-115.3-179.7 -16.0 -15.6 9.8 237 622 P E - 0 0 21 -66,-0.3 -1,-0.1 -2,-0.2 -18,-0.0 -0.344 65.4-130.1 -59.3 130.2 -16.5 -17.3 6.4 238 623 P P - 0 0 42 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.263 19.4-100.2 -79.4 167.1 -16.0 -14.6 3.7 239 624 P S 0 0 48 1,-0.1 -193,-0.0 -186,-0.1 -189,-0.0 -0.790 360.0 360.0 -82.9 115.6 -18.3 -13.8 0.7 240 625 P L 0 0 132 -2,-0.6 -1,-0.1 -194,-0.1 -3,-0.0 0.124 360.0 360.0-132.3 360.0 -16.5 -15.6 -2.2