==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 08-APR-10 3MHR . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.SCHUMACHER,M.SKWARCZYNSKA,R.ROSE,C.OTTMANN . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 77.6 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 94 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 142.6 44.2 -12.0 4.3 2 -3 A A T 3 + 0 0 101 1,-0.3 3,-0.4 2,-0.1 27,-0.0 0.703 360.0 51.8 -59.1 -28.5 43.0 -9.2 6.5 3 -2 A M T > S+ 0 0 40 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.418 77.8 102.5 -88.2 3.4 40.8 -11.9 8.3 4 -1 A G T < S+ 0 0 52 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.743 80.1 49.2 -61.6 -27.9 43.7 -14.2 9.0 5 0 A S T 3 S+ 0 0 123 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.493 93.0 93.1 -91.6 -1.8 44.0 -13.3 12.6 6 1 A M S < S- 0 0 39 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.766 82.0-109.5 -96.3 136.2 40.3 -13.6 13.5 7 2 A E > - 0 0 142 -2,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.270 23.7-122.9 -55.1 144.5 38.9 -16.8 14.9 8 3 A R H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 113.4 49.8 -51.0 -49.8 36.6 -18.8 12.5 9 4 A A H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 109.0 52.2 -65.4 -35.0 33.7 -18.6 15.0 10 5 A S H > S+ 0 0 40 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.878 107.3 52.4 -65.5 -38.1 34.2 -14.9 15.4 11 6 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 111.1 47.4 -62.4 -42.9 34.0 -14.3 11.6 12 7 A I H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.922 112.1 49.5 -62.6 -46.7 30.7 -16.3 11.5 13 8 A Q H X S+ 0 0 125 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.926 112.8 47.0 -60.4 -42.9 29.3 -14.3 14.4 14 9 A K H X S+ 0 0 86 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.848 106.5 58.0 -70.5 -31.7 30.3 -11.0 12.8 15 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 107.2 48.9 -59.5 -42.5 28.8 -12.1 9.5 16 11 A K H X S+ 0 0 72 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.885 111.8 48.0 -65.2 -39.8 25.5 -12.6 11.2 17 12 A L H X S+ 0 0 93 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.916 110.3 52.3 -63.8 -42.9 25.8 -9.1 12.8 18 13 A A H <>S+ 0 0 8 -4,-2.9 5,-2.7 1,-0.2 4,-0.4 0.898 107.0 53.1 -62.2 -38.3 26.7 -7.6 9.5 19 14 A E H ><5S+ 0 0 70 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.945 109.0 48.7 -60.4 -47.3 23.6 -9.2 7.9 20 15 A Q H 3<5S+ 0 0 147 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 114.2 46.7 -59.8 -37.1 21.4 -7.7 10.7 21 16 A A T 3<5S- 0 0 67 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.379 111.4-121.5 -82.2 -3.5 23.1 -4.3 10.0 22 17 A E T < 5 + 0 0 143 -3,-1.5 2,-1.0 -4,-0.4 -3,-0.2 0.803 66.1 141.8 55.6 38.7 22.7 -4.6 6.2 23 18 A R >< + 0 0 146 -5,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.690 17.4 165.3-103.0 73.6 26.5 -4.3 5.8 24 19 A Y H > + 0 0 55 -2,-1.0 4,-2.5 2,-0.2 32,-0.2 0.825 68.4 55.9 -73.9 -29.1 26.8 -6.8 3.1 25 20 A E H > S+ 0 0 151 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 112.0 45.2 -66.3 -41.1 30.3 -5.9 2.0 26 21 A D H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.926 111.0 54.0 -62.8 -42.6 31.5 -6.5 5.5 27 22 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.909 109.2 48.4 -56.6 -45.1 29.4 -9.7 5.6 28 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.7 24,-0.3 -1,-0.2 0.899 110.0 51.0 -63.2 -42.3 31.2 -11.0 2.5 29 24 A A H X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.907 111.3 48.5 -63.3 -40.6 34.6 -10.1 3.8 30 25 A F H X S+ 0 0 33 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.923 113.1 47.0 -63.6 -44.8 33.9 -12.0 7.0 31 26 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.864 109.1 53.7 -69.3 -36.6 32.6 -15.1 5.1 32 27 A K H X S+ 0 0 65 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.936 109.7 50.0 -57.4 -46.2 35.6 -15.0 2.8 33 28 A G H X S+ 0 0 4 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.906 109.3 50.6 -57.8 -42.1 37.7 -15.1 5.8 34 29 A A H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 5,-0.4 0.931 110.3 49.0 -63.6 -45.0 35.8 -18.0 7.2 35 30 A V H >< S+ 0 0 8 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.910 104.6 60.4 -59.8 -41.3 36.1 -20.0 4.0 36 31 A E H 3< S+ 0 0 96 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.616 82.7 79.5 -70.9 -5.6 39.8 -19.3 3.9 37 32 A K T << S- 0 0 73 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.700 104.2-126.7 -66.3 -22.2 40.2 -21.1 7.3 38 33 A G < + 0 0 66 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.312 67.4 120.7 98.1 -10.4 40.1 -24.2 5.2 39 34 A E - 0 0 129 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.567 70.0 -98.9 -81.9 153.5 37.4 -26.1 6.9 40 35 A E - 0 0 113 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.264 40.5-115.2 -63.8 155.0 34.2 -27.2 5.2 41 36 A L - 0 0 9 71,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.804 19.1-129.8 -97.9 140.5 31.1 -25.0 5.7 42 37 A S > - 0 0 52 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.262 36.9 -96.0 -70.3 169.9 27.9 -26.1 7.4 43 38 A X H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 203,-0.2 0.929 127.3 47.7 -55.8 -49.2 24.5 -25.5 5.8 44 39 A E H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 111.6 50.3 -60.4 -42.3 24.0 -22.3 7.7 45 40 A E H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.897 107.0 53.2 -65.9 -40.4 27.4 -21.1 6.8 46 41 A R H X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.903 109.4 50.9 -57.5 -44.4 26.9 -21.8 3.1 47 42 A N H X S+ 0 0 13 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.902 108.6 50.7 -62.2 -40.2 23.7 -19.7 3.3 48 43 A L H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 109.6 51.5 -62.6 -43.2 25.6 -16.9 4.9 49 44 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.932 113.5 43.8 -56.1 -49.3 28.2 -17.0 2.2 50 45 A S H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.928 111.6 52.1 -70.9 -39.7 25.7 -16.8 -0.5 51 46 A V H X S+ 0 0 13 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.923 110.8 50.1 -58.1 -43.0 23.5 -14.1 1.1 52 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -24,-0.3 0.967 116.8 36.7 -62.2 -55.4 26.6 -11.9 1.5 53 48 A Y H X S+ 0 0 13 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.860 112.6 58.7 -71.2 -33.0 27.9 -12.1 -2.0 54 49 A K H X S+ 0 0 32 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.901 109.8 44.8 -59.7 -42.1 24.4 -12.1 -3.6 55 50 A N H X S+ 0 0 71 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.901 113.9 49.0 -71.2 -41.2 23.7 -8.8 -2.0 56 51 A V H X S+ 0 0 20 -4,-2.0 4,-1.5 -5,-0.2 3,-0.3 0.973 116.8 41.0 -61.4 -53.4 27.1 -7.3 -2.9 57 52 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.836 109.5 61.8 -66.5 -30.5 26.8 -8.4 -6.6 58 53 A G H X S+ 0 0 23 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.905 102.8 48.1 -65.7 -37.4 23.2 -7.4 -6.7 59 54 A G H X S+ 0 0 48 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.890 113.8 48.7 -64.9 -39.5 24.0 -3.8 -6.0 60 55 A Q H X S+ 0 0 29 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.906 110.5 49.5 -68.3 -41.3 26.6 -3.9 -8.7 61 56 A R H X S+ 0 0 15 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.909 111.0 50.4 -62.9 -43.1 24.3 -5.5 -11.2 62 57 A A H X S+ 0 0 44 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.929 113.5 45.6 -62.1 -43.9 21.6 -2.9 -10.5 63 58 A A H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.923 111.1 52.5 -64.6 -45.1 24.1 -0.1 -11.0 64 59 A W H X S+ 0 0 38 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.902 107.5 51.9 -58.1 -42.9 25.6 -1.6 -14.1 65 60 A R H X S+ 0 0 131 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.909 109.6 49.3 -64.1 -39.5 22.1 -1.9 -15.7 66 61 A V H X S+ 0 0 88 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.947 115.7 43.2 -63.1 -47.8 21.4 1.8 -15.0 67 62 A L H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.900 111.5 53.1 -67.9 -39.5 24.8 2.9 -16.5 68 63 A S H X S+ 0 0 21 -4,-3.0 4,-2.9 -5,-0.2 -1,-0.2 0.902 108.5 51.6 -61.5 -39.8 24.5 0.6 -19.5 69 64 A S H X S+ 0 0 50 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.919 110.4 47.6 -63.4 -44.6 21.0 2.0 -20.2 70 65 A I H X S+ 0 0 81 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 112.9 49.6 -61.0 -42.8 22.4 5.6 -20.1 71 66 A E H X S+ 0 0 18 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.942 109.1 51.8 -64.8 -44.0 25.3 4.5 -22.4 72 67 A Q H >< S+ 0 0 111 -4,-2.9 3,-0.9 1,-0.2 4,-0.3 0.923 109.1 49.4 -60.5 -43.8 23.0 2.9 -24.9 73 68 A K H >< S+ 0 0 112 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.904 104.8 59.6 -63.6 -39.0 20.8 6.0 -25.1 74 69 A S H 3< S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.746 102.2 55.2 -59.9 -20.0 24.0 8.1 -25.7 75 70 A N T << S+ 0 0 113 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.395 86.7 106.4 -95.7 2.9 24.7 5.9 -28.7 76 71 A E S X S- 0 0 118 -3,-1.9 3,-2.0 -4,-0.3 -3,-0.0 -0.471 84.3 -85.9 -78.0 155.3 21.3 6.7 -30.4 77 72 A E T 3 S+ 0 0 202 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.293 115.2 20.3 -57.2 132.6 20.9 9.0 -33.4 78 73 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.377 88.9 135.7 85.6 -1.4 20.5 12.6 -32.5 79 74 A S < - 0 0 48 -3,-2.0 -1,-0.3 -6,-0.1 2,-0.1 -0.592 58.6-117.1 -78.3 132.7 22.1 12.1 -29.0 80 75 A E - 0 0 143 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.395 28.5-107.3 -69.3 141.3 24.6 14.8 -28.1 81 76 A E + 0 0 152 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.0 -0.589 39.2 173.2 -67.5 130.8 28.3 13.8 -27.6 82 77 A K - 0 0 152 1,-0.4 3,-0.4 -2,-0.4 -1,-0.1 0.306 41.0-113.9-124.9 9.3 29.2 14.0 -23.9 83 78 A G - 0 0 34 1,-0.2 3,-0.5 2,-0.1 -1,-0.4 -0.367 48.0 -50.2 89.8-173.9 32.6 12.5 -23.9 84 79 A P S > S+ 0 0 55 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.457 101.0 98.3 -83.3 -3.3 34.1 9.3 -22.4 85 80 A E H > S+ 0 0 113 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.840 80.4 48.7 -64.8 -42.4 32.7 9.6 -18.9 86 81 A V H > S+ 0 0 46 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.957 116.1 44.7 -64.5 -45.2 29.6 7.3 -19.1 87 82 A R H > S+ 0 0 104 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.927 113.5 51.5 -59.4 -45.4 31.7 4.5 -20.7 88 83 A E H X S+ 0 0 97 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.917 112.9 43.1 -57.4 -47.5 34.4 5.0 -18.2 89 84 A Y H X S+ 0 0 123 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.911 112.6 52.4 -72.9 -37.8 32.2 4.8 -15.2 90 85 A R H X S+ 0 0 34 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.930 110.9 49.7 -57.2 -43.6 30.2 1.9 -16.6 91 86 A E H X S+ 0 0 73 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.873 107.6 53.9 -60.6 -39.7 33.6 0.2 -17.1 92 87 A K H X S+ 0 0 120 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.949 112.9 42.3 -58.4 -52.4 34.6 1.0 -13.5 93 88 A V H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 113.9 53.0 -63.3 -42.5 31.4 -0.6 -12.1 94 89 A E H X S+ 0 0 26 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.907 108.0 50.2 -58.9 -43.9 31.8 -3.5 -14.5 95 90 A T H X S+ 0 0 86 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.885 110.8 48.6 -65.2 -39.2 35.3 -4.2 -13.5 96 91 A E H X S+ 0 0 106 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.906 111.1 50.6 -67.7 -38.0 34.4 -4.2 -9.8 97 92 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.930 110.2 50.4 -60.0 -48.7 31.5 -6.6 -10.5 98 93 A Q H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.887 108.0 54.0 -59.1 -39.2 33.8 -8.9 -12.4 99 94 A G H X S+ 0 0 30 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.890 107.6 48.8 -65.6 -37.9 36.2 -8.8 -9.5 100 95 A V H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.933 112.4 48.7 -64.4 -47.5 33.5 -9.9 -7.0 101 96 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.929 110.9 50.3 -58.8 -41.0 32.5 -12.7 -9.3 102 97 A D H X S+ 0 0 95 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.871 108.4 53.7 -63.1 -38.1 36.1 -13.8 -9.7 103 98 A T H X S+ 0 0 53 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.946 111.6 44.2 -61.6 -47.4 36.5 -13.7 -5.9 104 99 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.943 113.5 49.7 -63.7 -48.6 33.5 -16.1 -5.5 105 100 A L H X S+ 0 0 19 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.872 109.2 54.3 -58.5 -36.8 34.6 -18.4 -8.3 106 101 A G H X S+ 0 0 34 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.903 106.7 49.8 -65.3 -41.1 38.0 -18.5 -6.6 107 102 A L H <>S+ 0 0 11 -4,-2.1 5,-1.8 2,-0.2 -2,-0.2 0.907 111.1 50.0 -61.9 -42.1 36.6 -19.6 -3.3 108 103 A L H <>S+ 0 0 3 -4,-2.3 5,-2.6 1,-0.2 6,-0.5 0.892 115.2 43.1 -64.5 -37.5 34.7 -22.3 -5.0 109 104 A D H <5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.643 104.9 69.2 -78.7 -21.8 37.7 -23.5 -6.8 110 105 A S T <5S- 0 0 65 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.1 -0.635 131.8 -57.2-137.9 75.1 40.0 -23.2 -3.8 111 106 A H T >5S+ 0 0 110 -3,-0.4 4,-1.4 -2,-0.2 -3,-0.2 -0.740 110.1 97.8-145.7 38.0 38.7 -25.5 -2.4 112 107 A L H >4 S- 0 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0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.913 108.2 53.0 -61.5 -41.4 26.8 -20.8 -7.2 129 124 A K H X S+ 0 0 63 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.936 111.1 46.2 -58.9 -46.8 29.4 -21.4 -9.8 130 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.918 112.0 52.5 -58.6 -45.8 26.8 -21.3 -12.5 131 126 A D H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.903 110.1 45.2 -58.0 -48.4 25.3 -18.2 -11.0 132 127 A Y H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.863 112.9 50.2 -75.7 -29.7 28.5 -16.2 -10.8 133 128 A Y H X S+ 0 0 58 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.896 109.5 53.9 -65.9 -35.1 29.5 -17.2 -14.4 134 129 A R H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.913 106.7 50.2 -61.5 -42.8 25.9 -16.1 -15.4 135 130 A Y H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.908 110.7 49.9 -63.5 -36.7 26.6 -12.7 -13.8 136 131 A L H >X S+ 0 0 13 -4,-1.9 3,-0.9 1,-0.2 4,-0.7 0.903 108.7 53.3 -61.8 -42.5 29.8 -12.5 -15.7 137 132 A A H 3< S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.828 96.5 66.8 -63.9 -31.1 27.9 -13.4 -18.9 138 133 A E H 3< S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 113.7 30.6 -60.5 -27.3 25.4 -10.6 -18.3 139 134 A V H << S+ 0 0 2 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.436 93.7 116.4-110.9 -0.8 28.2 -8.0 -18.9 140 135 A A < + 0 0 13 -4,-0.7 -3,-0.0 -3,-0.5 -4,-0.0 -0.469 20.9 153.7 -78.6 139.4 30.4 -10.0 -21.4 141 136 A T + 0 0 136 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.353 48.2 74.5-140.1 -3.7 30.8 -8.7 -24.9 142 137 A G S > S- 0 0 45 3,-0.0 3,-1.6 0, 0.0 4,-0.3 -0.078 96.0 -62.2-106.5-151.8 34.1 -10.0 -26.1 143 138 A D T > S+ 0 0 158 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.852 126.1 51.4 -64.8 -33.1 35.9 -13.0 -27.4 144 139 A D T 3> S+ 0 0 93 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.339 78.5 100.4 -82.0 1.1 35.5 -15.1 -24.3 145 140 A K H <> S+ 0 0 89 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.922 83.9 50.1 -50.6 -46.1 31.6 -14.5 -24.0 146 141 A K H <> S+ 0 0 182 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.908 111.3 47.5 -61.5 -39.6 31.0 -18.0 -25.5 147 142 A R H > S+ 0 0 166 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.880 111.1 51.3 -72.2 -35.6 33.4 -19.6 -23.0 148 143 A I H X S+ 0 0 37 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.940 112.1 47.0 -63.9 -46.0 31.8 -17.7 -20.1 149 144 A I H X S+ 0 0 36 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.928 111.4 51.6 -57.7 -45.4 28.4 -18.9 -21.2 150 145 A D H X S+ 0 0 88 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.867 107.9 52.2 -58.5 -42.5 29.7 -22.4 -21.6 151 146 A S H X S+ 0 0 37 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.900 110.6 47.2 -64.0 -43.3 31.2 -22.4 -18.1 152 147 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.945 113.4 48.9 -59.1 -51.1 27.8 -21.3 -16.6 153 148 A R H X S+ 0 0 98 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 111.4 49.5 -53.9 -50.8 26.0 -24.0 -18.6 154 149 A S H X S+ 0 0 54 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.898 111.7 47.3 -61.4 -43.2 28.5 -26.7 -17.5 155 150 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.943 114.1 47.4 -64.8 -46.6 28.3 -25.9 -13.8 156 151 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.906 112.0 50.5 -60.5 -41.8 24.5 -25.8 -13.9 157 152 A Q H X S+ 0 0 68 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.909 109.2 50.0 -65.9 -41.9 24.3 -29.1 -15.8 158 153 A E H X S+ 0 0 78 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.919 112.7 48.0 -58.2 -46.6 26.6 -30.8 -13.3 159 154 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.900 111.2 51.6 -61.0 -43.7 24.5 -29.5 -10.4 160 155 A M H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.922 107.1 52.2 -60.9 -44.6 21.3 -30.7 -12.2 161 156 A D H X S+ 0 0 83 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.925 113.7 42.8 -61.7 -43.5 22.6 -34.1 -12.8 162 157 A I H X S+ 0 0 34 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.931 113.1 52.2 -65.5 -44.9 23.5 -34.6 -9.1 163 158 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.885 107.5 51.8 -65.2 -35.6 20.3 -33.0 -7.9 164 159 A K H < S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 116.9 40.2 -67.8 -33.8 18.1 -35.3 -10.0 165 160 A K H < S+ 0 0 174 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.834 128.5 26.6 -78.4 -33.6 19.8 -38.4 -8.7 166 161 A E H < S+ 0 0 129 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.529 109.5 57.4-116.9 -12.1 20.2 -37.4 -5.1 167 162 A M S < S- 0 0 8 -4,-2.1 -1,-0.0 -5,-0.3 0, 0.0 -0.927 77.7-107.9-124.2 150.5 17.4 -34.9 -4.0 168 163 A P > - 0 0 66 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.358 37.5-109.7 -69.0 158.5 13.7 -35.0 -4.0 169 164 A P T 3 S+ 0 0 33 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.670 117.7 55.1 -67.0 -15.2 11.9 -32.7 -6.5 170 165 A T T 3 S+ 0 0 3 35,-0.1 55,-0.1 36,-0.1 36,-0.1 0.423 73.7 125.2 -90.6 -6.3 10.8 -30.4 -3.7 171 166 A N <> - 0 0 18 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 -0.372 62.4-136.7 -59.8 132.0 14.2 -29.8 -2.2 172 167 A P H > S+ 0 0 11 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.819 102.9 51.7 -61.9 -33.8 14.7 -26.0 -2.2 173 168 A I H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 111.4 47.0 -65.1 -47.8 18.3 -26.2 -3.5 174 169 A R H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 115.2 47.6 -58.4 -45.3 17.2 -28.4 -6.4 175 170 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.923 111.9 47.6 -62.8 -45.8 14.3 -25.9 -7.1 176 171 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 66,-0.3 0.867 111.7 52.0 -66.4 -35.2 16.4 -22.8 -6.9 177 172 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.935 111.3 45.8 -59.0 -52.7 19.0 -24.4 -9.2 178 173 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.908 111.7 53.2 -62.8 -41.2 16.4 -25.3 -11.8 179 174 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.946 113.2 42.9 -53.8 -52.2 14.9 -21.8 -11.4 180 175 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.879 111.2 53.2 -69.7 -35.6 18.3 -20.2 -12.1 181 176 A F H X S+ 0 0 8 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.902 108.5 52.2 -65.7 -36.4 19.2 -22.6 -14.9 182 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.916 108.4 50.2 -62.9 -42.3 15.9 -21.6 -16.6 183 178 A V H X>S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.5 0.923 108.0 54.2 -61.7 -42.9 16.8 -17.9 -16.2 184 179 A F H X>S+ 0 0 4 -4,-2.5 5,-2.4 1,-0.2 4,-2.2 0.943 109.3 47.8 -51.5 -50.0 20.1 -18.7 -17.8 185 180 A H H <5S+ 0 0 20 -4,-2.4 6,-3.0 3,-0.2 -1,-0.2 0.912 118.4 40.3 -59.6 -43.3 18.4 -20.3 -20.8 186 181 A Y H <5S+ 0 0 89 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.926 128.4 25.2 -71.9 -47.5 16.0 -17.4 -21.2 187 182 A E H <5S+ 0 0 70 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.729 134.1 23.3 -95.5 -29.2 18.3 -14.4 -20.6 188 183 A I T < + 0 0 45 -6,-3.0 4,-2.2 -7,-0.2 3,-0.2 -0.530 20.2 158.0-131.0 63.1 16.8 -20.5 -25.4 192 187 A P H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.854 75.8 54.9 -60.9 -36.6 13.4 -19.4 -24.2 193 188 A E H > S+ 0 0 162 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 108.8 47.6 -63.7 -40.9 11.7 -22.7 -25.1 194 189 A E H > S+ 0 0 104 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 111.5 52.1 -63.4 -41.8 14.3 -24.6 -23.0 195 190 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 112.1 45.1 -57.1 -47.9 13.7 -22.1 -20.2 196 191 A I H X S+ 0 0 31 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.927 113.4 49.2 -66.2 -44.6 9.9 -22.6 -20.3 197 192 A S H X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.920 112.2 48.1 -61.4 -44.3 10.2 -26.4 -20.5 198 193 A L H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.934 112.3 48.8 -65.1 -44.4 12.6 -26.6 -17.6 199 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.917 113.8 46.9 -62.1 -44.3 10.4 -24.3 -15.4 200 195 A K H X S+ 0 0 103 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.934 114.0 45.6 -60.7 -52.9 7.2 -26.3 -16.3 201 196 A T H X S+ 0 0 68 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.910 114.0 49.8 -58.7 -44.8 8.8 -29.7 -15.6 202 197 A T H X S+ 0 0 18 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.937 112.2 47.4 -60.7 -48.9 10.3 -28.6 -12.4 203 198 A F H X S+ 0 0 33 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.940 113.5 47.0 -58.1 -49.0 7.1 -27.1 -11.1 204 199 A D H X S+ 0 0 95 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.877 111.2 49.9 -66.0 -40.0 5.0 -30.1 -12.0 205 200 A E H X S+ 0 0 93 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.873 112.6 48.4 -64.8 -38.8 7.4 -32.6 -10.5 206 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 4,-0.9 0.930 106.9 55.8 -66.4 -44.6 7.6 -30.6 -7.2 207 202 A M H >< S+ 0 0 112 -4,-2.6 3,-0.9 1,-0.3 4,-0.3 0.902 104.4 54.0 -53.9 -43.1 3.8 -30.3 -7.1 208 203 A A H 3< S+ 0 0 72 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.629 111.3 46.0 -67.3 -14.8 3.5 -34.1 -7.2 209 204 A D H X< S+ 0 0 30 -3,-1.6 3,-1.8 -4,-0.5 -1,-0.2 0.433 82.0 93.4-106.7 -4.7 5.9 -34.5 -4.2 210 205 A L G X< S+ 0 0 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