==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 28-JUN-11 3SMM . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANDERS,B.SCHUMACHER,C.OTTMANN . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 78.5 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 67.8 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 2 0 0 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 84 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -51.3 -3.5 -12.6 -4.0 2 -3 A A T 3 + 0 0 97 1,-0.3 3,-0.3 2,-0.1 27,-0.0 0.638 360.0 42.0 -64.0 -24.6 -1.8 -9.7 -5.9 3 -2 A M T > S+ 0 0 46 1,-0.2 3,-1.4 26,-0.1 -1,-0.3 0.184 83.1 111.3-108.5 11.1 0.4 -11.9 -8.2 4 -1 A G T < S+ 0 0 49 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.785 75.4 48.5 -57.8 -34.6 -2.5 -14.3 -8.8 5 0 A S T 3 S+ 0 0 130 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.529 94.3 91.7 -91.2 -2.8 -3.0 -13.3 -12.4 6 1 A M S < S- 0 0 42 -3,-1.4 5,-0.1 1,-0.1 -3,-0.0 -0.743 83.4-106.6 -92.7 137.7 0.8 -13.6 -13.4 7 2 A E > - 0 0 141 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.305 24.3-123.8 -53.4 138.0 2.3 -16.8 -14.8 8 3 A R H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 113.2 48.9 -48.7 -47.4 4.5 -18.7 -12.4 9 4 A A H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.910 109.6 52.0 -66.7 -39.2 7.4 -18.6 -14.8 10 5 A S H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.893 108.0 51.3 -57.9 -44.6 6.9 -14.8 -15.4 11 6 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.908 112.4 47.5 -61.7 -40.6 7.0 -14.2 -11.6 12 7 A I H X S+ 0 0 12 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.949 111.7 49.0 -62.6 -49.0 10.3 -16.3 -11.4 13 8 A Q H X S+ 0 0 127 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.909 113.5 48.1 -57.8 -42.9 11.8 -14.4 -14.4 14 9 A K H X S+ 0 0 86 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.853 105.3 57.0 -69.9 -30.6 10.8 -11.1 -12.7 15 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.917 107.5 49.9 -63.2 -42.2 12.3 -12.1 -9.3 16 11 A K H X S+ 0 0 76 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.889 111.5 48.0 -63.7 -41.9 15.6 -12.6 -11.1 17 12 A L H X S+ 0 0 92 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.903 110.9 50.5 -59.6 -43.8 15.3 -9.2 -12.7 18 13 A A H <>S+ 0 0 7 -4,-2.8 5,-3.1 1,-0.2 4,-0.2 0.930 108.4 52.9 -68.2 -41.4 14.4 -7.6 -9.4 19 14 A E H ><5S+ 0 0 71 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.947 108.8 49.8 -52.7 -47.5 17.5 -9.3 -7.8 20 15 A Q H 3<5S+ 0 0 153 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.858 114.2 45.5 -60.3 -32.1 19.6 -7.7 -10.6 21 16 A A T 3<5S- 0 0 62 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.327 112.0-122.1 -91.8 8.1 18.1 -4.4 -9.8 22 17 A E T < 5 + 0 0 144 -3,-1.9 2,-0.9 -4,-0.2 -3,-0.2 0.881 65.1 143.9 43.7 44.2 18.5 -4.8 -6.1 23 18 A R >< + 0 0 143 -5,-3.1 4,-2.6 1,-0.2 -1,-0.2 -0.689 16.8 166.6-104.5 79.3 14.8 -4.4 -5.8 24 19 A Y H > + 0 0 57 -2,-0.9 4,-2.6 1,-0.2 32,-0.2 0.799 69.2 56.0 -74.2 -29.8 14.4 -6.9 -3.0 25 20 A E H > S+ 0 0 155 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 113.5 43.7 -61.3 -45.7 10.8 -6.0 -1.9 26 21 A D H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 112.1 52.9 -62.1 -47.5 9.7 -6.6 -5.5 27 22 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 110.4 48.6 -55.0 -47.9 11.8 -9.8 -5.6 28 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.3 24,-0.2 -2,-0.2 0.923 110.6 49.1 -61.9 -44.4 10.1 -11.0 -2.4 29 24 A A H X S+ 0 0 39 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.880 111.2 50.5 -61.3 -41.2 6.6 -10.2 -3.7 30 25 A F H X S+ 0 0 33 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 113.0 45.4 -63.2 -46.0 7.3 -12.0 -7.0 31 26 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.846 109.7 54.5 -68.4 -29.4 8.6 -15.1 -5.1 32 27 A K H X S+ 0 0 59 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.952 109.6 48.9 -64.3 -45.7 5.6 -15.0 -2.7 33 28 A G H X S+ 0 0 3 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.892 110.7 51.2 -59.9 -38.2 3.3 -15.0 -5.8 34 29 A A H >< S+ 0 0 0 -4,-2.1 3,-1.1 2,-0.2 5,-0.4 0.934 110.3 47.1 -66.5 -43.9 5.3 -18.0 -7.2 35 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.926 105.3 60.8 -60.7 -42.3 5.0 -20.0 -4.0 36 31 A E H 3< S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.649 82.9 81.0 -65.5 -12.1 1.3 -19.2 -3.9 37 32 A K T << S- 0 0 71 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.758 103.2-128.7 -62.0 -20.8 1.0 -21.0 -7.2 38 33 A G < + 0 0 65 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.349 67.6 120.2 94.5 -12.6 1.0 -24.1 -5.1 39 34 A E S S- 0 0 134 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.594 71.1 -99.6 -85.2 154.5 3.7 -26.0 -6.9 40 35 A E - 0 0 112 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.239 40.9-114.7 -65.0 157.2 7.0 -27.1 -5.1 41 36 A L - 0 0 10 71,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.748 19.8-128.9 -96.1 146.7 10.0 -24.9 -5.7 42 37 A S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.296 36.0 -96.3 -77.3 175.2 13.2 -26.0 -7.4 43 38 A N H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.935 127.3 46.0 -56.6 -47.9 16.6 -25.5 -5.8 44 39 A E H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 112.2 51.4 -67.2 -41.2 17.3 -22.3 -7.7 45 40 A E H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.868 108.1 52.5 -62.2 -39.5 13.7 -21.0 -6.8 46 41 A R H X S+ 0 0 25 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.923 108.7 50.6 -59.3 -42.6 14.2 -21.8 -3.1 47 42 A N H X S+ 0 0 70 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.940 110.1 49.6 -62.8 -42.9 17.4 -19.8 -3.3 48 43 A L H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.906 111.8 48.8 -60.1 -42.2 15.5 -16.8 -4.9 49 44 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.962 113.9 45.7 -59.7 -50.8 12.8 -17.0 -2.2 50 45 A S H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 112.9 49.3 -63.5 -44.7 15.4 -17.1 0.6 51 46 A V H X S+ 0 0 38 -4,-2.7 4,-2.0 -5,-0.2 5,-0.2 0.908 109.6 53.0 -60.0 -43.4 17.6 -14.2 -0.9 52 47 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 3,-0.3 0.982 116.0 35.9 -61.5 -56.2 14.6 -12.0 -1.4 53 48 A Y H X S+ 0 0 12 -4,-2.1 4,-3.3 1,-0.2 5,-0.4 0.875 112.7 60.6 -68.7 -31.4 13.3 -12.1 2.2 54 49 A K H X S+ 0 0 72 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.891 110.3 41.5 -55.4 -47.8 16.8 -12.2 3.7 55 50 A N H X S+ 0 0 61 -4,-2.0 4,-2.0 -3,-0.3 -1,-0.2 0.875 115.5 49.4 -71.9 -43.4 17.5 -8.9 2.1 56 51 A V H X S+ 0 0 21 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.982 118.5 38.6 -59.4 -53.0 14.1 -7.4 3.0 57 52 A V H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.818 110.7 60.1 -71.8 -28.5 14.2 -8.5 6.5 58 53 A G H X S+ 0 0 24 -4,-1.6 4,-2.1 -5,-0.4 -1,-0.2 0.901 105.8 48.7 -65.7 -40.3 17.9 -7.7 6.8 59 54 A G H X S+ 0 0 47 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.915 112.5 48.4 -61.6 -43.7 17.2 -4.0 5.9 60 55 A Q H X S+ 0 0 31 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.897 110.8 50.7 -65.0 -37.4 14.4 -3.9 8.5 61 56 A R H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.943 109.7 49.4 -67.1 -43.0 16.6 -5.5 11.2 62 57 A A H X S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.879 113.5 46.9 -63.0 -40.8 19.4 -3.1 10.7 63 58 A A H X S+ 0 0 39 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.902 110.1 52.6 -66.5 -42.8 17.0 -0.2 10.9 64 59 A W H X S+ 0 0 40 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.905 109.6 50.0 -61.7 -37.5 15.4 -1.6 14.0 65 60 A R H X S+ 0 0 80 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.927 108.6 50.7 -71.5 -38.4 18.8 -1.8 15.6 66 61 A V H X S+ 0 0 89 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.967 116.8 42.7 -56.2 -51.7 19.7 1.8 14.8 67 62 A L H X S+ 0 0 24 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.856 111.3 53.2 -67.0 -37.6 16.3 2.9 16.3 68 63 A S H X S+ 0 0 33 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.886 108.7 50.9 -61.9 -40.3 16.6 0.6 19.4 69 64 A S H X S+ 0 0 66 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.897 111.4 47.3 -64.1 -43.8 20.0 2.0 20.2 70 65 A I H X S+ 0 0 85 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.957 112.7 49.7 -61.4 -47.3 18.7 5.6 19.9 71 66 A E H X S+ 0 0 24 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.893 110.7 49.5 -57.6 -46.1 15.7 4.6 22.1 72 67 A Q H >< S+ 0 0 61 -4,-2.6 3,-1.8 1,-0.2 4,-0.4 0.965 108.6 52.3 -63.3 -48.6 18.0 3.0 24.7 73 68 A K H >< S+ 0 0 149 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.845 106.2 55.2 -55.9 -34.7 20.2 6.1 24.8 74 69 A S H 3< S+ 0 0 46 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.676 103.7 55.2 -70.4 -19.5 17.1 8.3 25.4 75 70 A N T << S+ 0 0 122 -3,-1.8 -1,-0.2 -4,-0.7 -2,-0.2 0.426 86.3 111.9 -92.3 0.7 16.2 6.1 28.5 76 71 A E S X S- 0 0 54 -3,-1.1 3,-1.8 -4,-0.4 2,-0.1 -0.371 83.3 -89.7 -73.7 149.5 19.6 6.7 30.1 77 72 A E T 3 S+ 0 0 113 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.390 115.5 23.7 -56.9 128.7 20.0 8.8 33.4 78 73 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.432 90.3 134.3 92.4 -1.3 20.6 12.5 32.4 79 74 A S < - 0 0 56 -3,-1.8 2,-0.4 -5,-0.1 -1,-0.3 -0.525 60.2-112.7 -79.6 145.9 18.9 12.2 29.0 80 75 A E - 0 0 158 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.668 32.1-112.4 -81.3 134.1 16.5 14.9 27.9 81 76 A E + 0 0 141 -2,-0.4 -1,-0.1 1,-0.1 -6,-0.1 -0.517 37.5 175.9 -61.1 115.9 12.9 13.7 27.5 82 77 A K > - 0 0 178 -2,-0.4 3,-0.5 1,-0.4 -1,-0.1 0.184 39.8-121.4-113.3 21.9 12.1 13.9 23.8 83 78 A G T 3 - 0 0 37 1,-0.2 3,-0.4 2,-0.1 -1,-0.4 -0.230 47.9 -45.0 74.0-159.7 8.6 12.4 24.0 84 79 A P T 3> S+ 0 0 55 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.441 99.4 99.4 -93.7 1.9 7.3 9.3 22.3 85 80 A E H <> S+ 0 0 117 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.830 82.5 48.4 -61.6 -41.3 8.6 9.6 18.7 86 81 A V H > S+ 0 0 49 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.936 116.2 44.8 -63.8 -45.4 11.6 7.3 18.9 87 82 A R H > S+ 0 0 101 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.951 114.3 49.6 -66.8 -47.5 9.5 4.5 20.6 88 83 A E H X S+ 0 0 79 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.942 114.3 43.8 -54.1 -50.0 6.7 5.1 18.1 89 84 A Y H X S+ 0 0 126 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.916 113.0 51.3 -69.0 -38.6 9.0 4.9 15.0 90 85 A R H X S+ 0 0 35 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.925 111.2 50.0 -58.0 -43.2 10.9 1.9 16.5 91 86 A E H X S+ 0 0 75 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.844 109.3 51.2 -63.9 -36.8 7.5 0.2 17.0 92 87 A K H X S+ 0 0 116 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.927 113.8 42.9 -62.8 -51.4 6.4 1.0 13.4 93 88 A V H X S+ 0 0 10 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.938 115.3 51.9 -60.4 -41.7 9.6 -0.5 12.0 94 89 A E H X S+ 0 0 26 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.907 108.4 49.4 -64.6 -42.3 9.3 -3.4 14.4 95 90 A T H X S+ 0 0 88 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.897 111.3 48.8 -64.0 -40.5 5.7 -4.1 13.4 96 91 A E H X S+ 0 0 122 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 110.9 52.0 -67.0 -41.3 6.6 -4.1 9.7 97 92 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.938 109.5 48.7 -54.4 -50.5 9.5 -6.5 10.5 98 93 A Q H X S+ 0 0 58 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.871 107.5 56.3 -63.1 -35.4 7.1 -8.8 12.3 99 94 A G H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.914 107.5 47.9 -62.3 -44.4 4.7 -8.7 9.4 100 95 A V H X S+ 0 0 27 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.943 112.1 48.9 -59.5 -48.6 7.5 -9.9 7.0 101 96 A C H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.944 112.1 49.6 -58.0 -44.7 8.5 -12.7 9.4 102 97 A D H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.847 109.3 52.0 -64.2 -34.0 4.8 -13.8 9.7 103 98 A T H X S+ 0 0 52 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 112.3 44.3 -67.6 -42.8 4.4 -13.7 5.9 104 99 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.951 114.7 48.9 -66.5 -46.4 7.5 -16.0 5.4 105 100 A L H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.870 109.8 53.9 -61.7 -37.6 6.4 -18.3 8.2 106 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.887 108.0 48.2 -59.5 -42.5 3.0 -18.4 6.6 107 102 A L H <>S+ 0 0 10 -4,-1.9 5,-1.8 1,-0.2 -2,-0.2 0.915 112.4 50.2 -67.8 -40.3 4.4 -19.5 3.2 108 103 A L H <>S+ 0 0 3 -4,-2.5 5,-2.7 1,-0.2 6,-0.4 0.899 116.3 39.9 -59.7 -43.9 6.5 -22.2 5.0 109 104 A D H <5S+ 0 0 101 -4,-2.2 2,-0.2 1,-0.2 -1,-0.2 0.700 108.0 69.5 -79.5 -21.5 3.4 -23.5 6.9 110 105 A S T <5S- 0 0 61 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.638 131.0 -53.9-135.1 77.9 1.1 -23.1 3.8 111 106 A H T >5S+ 0 0 113 -3,-0.3 4,-1.2 -2,-0.2 -3,-0.2 -0.783 112.8 92.0-144.4 36.7 2.4 -25.3 2.3 112 107 A L H >4 S- 0 0 116 1,-0.1 4,-3.0 4,-0.0 3,-0.5 -0.588 82.3-122.5 -80.5 148.8 13.8 -34.4 -0.0 119 114 A A H > S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.863 109.0 53.9 -49.5 -50.0 16.5 -33.6 2.5 120 115 A E H > S+ 0 0 65 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.815 115.3 38.1 -65.2 -32.9 17.7 -30.6 0.6 121 116 A S H > S+ 0 0 9 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.910 118.4 47.5 -78.0 -46.4 14.3 -28.9 0.4 122 117 A R H X S+ 0 0 64 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.917 114.7 44.8 -67.9 -40.8 13.1 -29.9 3.8 123 118 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.926 112.3 54.1 -66.6 -41.4 16.3 -28.8 5.7 124 119 A F H X S+ 0 0 18 -4,-1.0 4,-1.9 -5,-0.4 -2,-0.2 0.934 112.2 42.6 -55.1 -50.8 16.3 -25.6 3.6 125 120 A Y H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.855 113.8 50.8 -67.8 -40.1 12.7 -24.7 4.7 126 121 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.855 108.3 52.9 -66.3 -37.6 13.2 -25.7 8.3 127 122 A K H X S+ 0 0 16 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.941 110.3 47.6 -57.5 -46.4 16.3 -23.5 8.5 128 123 A M H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.897 109.1 53.8 -62.3 -39.6 14.3 -20.5 7.1 129 124 A K H X S+ 0 0 61 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.943 111.4 46.1 -63.2 -44.6 11.5 -21.3 9.7 130 125 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.935 112.3 51.7 -60.4 -42.9 14.3 -21.1 12.4 131 126 A D H X S+ 0 0 5 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.911 111.6 44.7 -58.2 -47.9 15.7 -17.9 10.9 132 127 A Y H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.884 113.8 48.6 -75.3 -36.7 12.3 -16.1 10.8 133 128 A Y H X S+ 0 0 60 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.890 110.8 54.4 -62.1 -38.2 11.3 -17.2 14.4 134 129 A R H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.915 106.7 49.1 -60.3 -39.4 14.9 -16.0 15.3 135 130 A Y H X S+ 0 0 8 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.900 110.7 51.3 -70.7 -36.9 14.2 -12.6 13.8 136 131 A L H >X S+ 0 0 12 -4,-2.1 4,-1.2 1,-0.2 3,-1.1 0.922 108.4 52.1 -52.6 -46.8 10.9 -12.5 15.8 137 132 A A H 3< S+ 0 0 3 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.854 98.3 65.2 -64.6 -32.0 12.9 -13.4 18.9 138 133 A E H 3< S+ 0 0 40 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.775 114.8 30.1 -61.8 -28.2 15.3 -10.5 18.4 139 134 A V H << S+ 0 0 3 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.498 93.5 114.9-108.0 -6.6 12.5 -8.0 18.9 140 135 A A < + 0 0 15 -4,-1.2 -3,-0.0 -3,-0.3 -4,-0.0 -0.370 21.6 154.4 -69.4 139.0 10.3 -10.0 21.3 141 136 A T + 0 0 140 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.406 50.3 72.0-139.8 -9.3 9.9 -8.6 24.9 142 137 A G S > S- 0 0 50 3,-0.0 3,-1.8 1,-0.0 4,-0.3 0.040 98.3 -55.3-101.9-155.8 6.5 -10.0 26.1 143 138 A D T 3 S+ 0 0 161 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.571 127.3 46.7 -57.8 -20.7 4.5 -13.1 27.3 144 139 A D T 3> S+ 0 0 94 1,-0.1 4,-2.5 2,-0.1 -1,-0.3 0.343 77.3 103.0-109.4 -2.3 5.4 -15.1 24.1 145 140 A K H <> S+ 0 0 73 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 0.888 83.1 49.6 -53.1 -41.4 9.1 -14.5 23.9 146 141 A K H > S+ 0 0 185 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.924 111.8 48.1 -66.8 -40.9 10.0 -17.9 25.4 147 142 A R H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.867 110.3 52.3 -66.9 -37.7 7.6 -19.7 22.9 148 143 A I H X S+ 0 0 35 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.969 111.3 46.8 -59.1 -56.2 9.1 -17.7 20.0 149 144 A I H X S+ 0 0 35 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.891 112.6 49.3 -51.2 -47.2 12.6 -18.8 21.0 150 145 A D H X S+ 0 0 81 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.851 107.3 54.5 -70.4 -29.5 11.6 -22.4 21.4 151 146 A S H X S+ 0 0 43 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.867 110.6 46.9 -66.7 -36.5 9.9 -22.4 18.0 152 147 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -19,-0.2 5,-0.2 0.964 113.9 48.3 -64.2 -52.3 13.2 -21.2 16.5 153 148 A R H X S+ 0 0 88 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.902 112.0 48.9 -52.5 -47.9 15.1 -23.8 18.4 154 149 A S H X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.921 111.4 48.0 -66.2 -39.6 12.7 -26.6 17.4 155 150 A A H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.944 114.3 46.0 -66.1 -46.2 12.8 -25.7 13.7 156 151 A Y H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.908 111.9 53.7 -60.0 -40.8 16.6 -25.6 13.7 157 152 A Q H X S+ 0 0 67 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.896 108.5 46.5 -61.9 -46.4 16.8 -28.9 15.7 158 153 A E H X S+ 0 0 85 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.920 114.2 49.6 -64.5 -40.6 14.6 -30.8 13.2 159 154 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.936 111.2 49.5 -57.7 -50.6 16.7 -29.3 10.3 160 155 A M H X S+ 0 0 8 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.928 110.6 49.9 -50.0 -49.4 19.9 -30.4 12.1 161 156 A D H X S+ 0 0 71 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.915 115.0 42.5 -64.3 -42.7 18.6 -33.9 12.7 162 157 A I H X S+ 0 0 21 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.941 114.6 50.9 -66.7 -45.2 17.6 -34.4 9.0 163 158 A S H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.912 109.2 51.1 -63.2 -37.3 20.8 -32.7 7.8 164 159 A K H < S+ 0 0 102 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.871 116.9 40.1 -66.2 -35.5 23.0 -35.0 10.0 165 160 A K H < S+ 0 0 154 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.866 129.2 25.6 -77.0 -37.2 21.2 -38.1 8.7 166 161 A E H < S+ 0 0 124 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.480 109.0 60.1-114.5 -8.1 20.9 -37.2 5.0 167 162 A M S < S- 0 0 9 -4,-2.3 -1,-0.0 -5,-0.3 0, 0.0 -0.949 78.0-105.6-129.6 154.1 23.6 -34.7 4.0 168 163 A P > - 0 0 55 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.342 35.9-113.6 -73.8 154.9 27.3 -34.6 3.9 169 164 A P T 3 S+ 0 0 29 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.718 116.6 52.8 -62.8 -22.6 29.0 -32.5 6.5 170 165 A T T 3 S+ 0 0 2 35,-0.1 55,-0.1 36,-0.1 36,-0.1 0.460 74.7 126.7 -90.5 -5.1 30.3 -30.2 3.8 171 166 A H <> - 0 0 42 -3,-2.1 4,-2.6 1,-0.1 3,-0.4 -0.348 63.9-131.7 -56.5 128.7 26.9 -29.5 2.2 172 167 A P H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.829 106.4 50.2 -52.9 -31.2 26.4 -25.7 2.0 173 168 A I H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.909 111.4 48.2 -75.4 -43.2 22.8 -25.9 3.5 174 169 A R H > S+ 0 0 27 -3,-0.4 4,-2.0 -6,-0.2 -1,-0.2 0.935 115.3 45.9 -57.6 -44.2 24.1 -28.1 6.4 175 170 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.903 113.4 47.5 -64.7 -43.1 26.9 -25.6 6.9 176 171 A G H X S+ 0 0 3 -4,-2.7 4,-2.4 -5,-0.3 67,-0.3 0.872 111.1 52.5 -70.0 -32.5 24.6 -22.5 6.7 177 172 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.930 110.9 46.5 -65.9 -46.1 22.1 -24.1 9.1 178 173 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.898 109.8 53.9 -65.9 -39.8 24.8 -24.8 11.7 179 174 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.952 115.4 40.2 -55.2 -50.0 26.2 -21.3 11.3 180 175 A N H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.879 113.3 51.8 -72.4 -38.4 22.7 -19.8 12.0 181 176 A F H X S+ 0 0 7 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.902 110.2 51.5 -63.0 -34.7 21.8 -22.2 14.8 182 177 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.917 109.5 49.4 -70.3 -41.0 25.1 -21.4 16.5 183 178 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.5 0.931 109.1 53.2 -58.7 -44.2 24.3 -17.6 16.2 184 179 A F H X>S+ 0 0 3 -4,-2.6 5,-2.3 1,-0.2 4,-2.2 0.947 110.7 47.3 -54.8 -49.1 20.8 -18.5 17.7 185 180 A H H <5S+ 0 0 18 -4,-2.7 6,-3.3 3,-0.2 -1,-0.2 0.933 114.7 47.4 -58.0 -46.5 22.6 -20.2 20.6 186 181 A Y H <5S+ 0 0 85 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.936 129.0 14.1 -65.4 -47.3 25.0 -17.3 21.1 187 182 A E H <5S+ 0 0 74 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.651 131.6 35.9-117.0 -8.6 22.7 -14.4 21.1 188 183 A I T <5S+ 0 0 26 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.791 123.0 34.7-102.8 -47.5 19.2 -15.6 21.5 189 184 A A S + 0 0 43 -6,-3.3 4,-2.1 -7,-0.2 3,-0.2 -0.584 22.0 163.6-128.3 74.8 24.3 -20.3 25.4 192 187 A P H > S+ 0 0 55 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.863 75.8 57.0 -66.1 -30.8 27.6 -19.0 24.1 193 188 A E H > S+ 0 0 163 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 108.1 45.4 -62.3 -47.2 29.3 -22.4 24.9 194 189 A E H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 111.4 54.9 -60.0 -41.9 26.8 -24.4 22.8 195 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 112.2 42.6 -54.6 -49.8 27.3 -21.7 20.0 196 191 A I H X S+ 0 0 44 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.911 114.4 49.2 -65.8 -49.0 31.0 -22.3 20.0 197 192 A S H X S+ 0 0 65 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.920 112.3 49.0 -57.6 -45.0 30.9 -26.1 20.2 198 193 A L H X S+ 0 0 20 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.940 113.7 45.0 -62.4 -43.7 28.4 -26.3 17.4 199 194 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.923 117.1 46.4 -69.3 -42.5 30.5 -23.9 15.1 200 195 A K H X S+ 0 0 98 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.954 114.2 44.4 -60.5 -56.8 33.7 -25.8 16.0 201 196 A T H X S+ 0 0 75 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.911 115.6 50.5 -54.5 -41.9 32.4 -29.4 15.6 202 197 A T H X S+ 0 0 14 -4,-2.2 4,-2.0 -5,-0.4 -1,-0.2 0.929 112.5 45.4 -63.5 -46.7 30.7 -28.3 12.3 203 198 A F H X S+ 0 0 29 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.930 114.2 48.7 -60.1 -48.3 33.8 -26.7 10.9 204 199 A D H X S+ 0 0 68 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.903 111.5 48.4 -63.5 -43.4 36.0 -29.7 11.9 205 200 A E H < S+ 0 0 91 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.853 111.9 50.3 -67.1 -36.3 33.7 -32.3 10.4 206 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.9 -5,-0.3 4,-0.8 0.954 106.5 55.3 -65.0 -49.4 33.5 -30.3 7.2 207 202 A M H >< S+ 0 0 89 -4,-3.0 3,-1.2 1,-0.3 4,-0.4 0.907 105.7 51.9 -45.4 -48.0 37.3 -30.0 7.0 208 203 A A T 3< S+ 0 0 74 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.572 111.0 47.9 -74.1 -8.8 37.7 -33.8 7.2 209 204 A D T X4 S+ 0 0 32 -3,-1.9 3,-1.8 -4,-0.4 -1,-0.3 0.415 83.0 93.7-105.3 -7.7 35.2 -34.3 4.2 210 205 A L G X< S+ 0 0 21 -3,-1.2 3,-2.2 -4,-0.8 -2,-0.1 0.862 74.1 68.6 -53.4 -32.6 36.7 -31.6 1.9 211 206 A H G 3 S+ 0 0 160 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.683 91.3 60.2 -65.9 -20.2 38.8 -34.3 0.2 212 207 A T G < S+ 0 0 77 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.537 93.1 94.8 -81.7 -9.6 35.6 -35.9 -1.3 213 208 A L S < S- 0 0 46 -3,-2.2 2,-0.1 -4,-0.3 -3,-0.0 -0.575 71.3-124.1 -92.6 146.7 34.8 -32.7 -3.3 214 209 A S > - 0 0 69 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.305 44.9 -98.1 -60.9 165.6 35.4 -31.3 -6.7 215 210 A E H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.880 124.7 49.3 -57.7 -39.7 37.1 -27.9 -6.9 216 211 A D H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 112.7 45.4 -70.3 -41.2 33.7 -26.1 -7.3 217 212 A S H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.883 110.8 56.1 -63.7 -40.4 32.1 -27.8 -4.3 218 213 A Y H X S+ 0 0 126 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.959 108.3 47.5 -52.9 -54.5 35.3 -27.2 -2.3 219 214 A K H X S+ 0 0 75 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.888 112.1 49.9 -53.3 -46.9 34.9 -23.4 -3.1 220 215 A D H X S+ 0 0 88 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.894 115.7 41.2 -62.3 -46.4 31.2 -23.5 -2.1 221 216 A S H >X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 3,-0.6 0.936 112.9 51.3 -72.5 -45.1 31.8 -25.3 1.3 222 217 A T H 3X S+ 0 0 38 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.852 101.6 63.6 -64.2 -32.5 35.0 -23.4 2.3 223 218 A L H 3X S+ 0 0 128 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.3 0.942 110.8 37.3 -52.9 -45.9 33.1 -20.1 1.7 224 219 A I H XX S+ 0 0 15 -4,-0.9 4,-1.8 -3,-0.6 3,-0.5 0.861 110.8 60.0 -75.4 -37.4 30.6 -21.0 4.5 225 220 A M H 3X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.887 100.1 57.4 -62.0 -36.3 33.3 -22.6 6.7 226 221 A Q H 3X S+ 0 0 104 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.849 102.9 53.0 -59.1 -36.6 35.1 -19.3 6.8 227 222 A L H