==== 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 3SMO . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANDERS,B.SCHUMACHER,C.OTTMANN . 240 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 78.3 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 67.9 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 1 0 0 1 0 2 0 0 1 0 1 0 0 2 0 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 -3 A A 0 0 135 0, 0.0 3,-0.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 -62.7 -43.1 -10.2 -5.9 2 -2 A M > + 0 0 44 1,-0.1 3,-1.5 26,-0.1 8,-0.1 0.161 360.0 113.2 -96.5 11.8 -40.5 -11.8 -8.1 3 -1 A G T 3 + 0 0 55 1,-0.3 -1,-0.1 32,-0.0 0, 0.0 0.775 69.2 49.6 -55.7 -31.9 -43.3 -14.2 -8.8 4 0 A S T 3 S+ 0 0 129 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.527 92.5 91.3 -88.5 -10.9 -43.7 -13.1 -12.5 5 1 A M S < S- 0 0 39 -3,-1.5 5,-0.1 1,-0.1 -3,-0.1 -0.758 83.7-109.0 -88.5 140.7 -40.0 -13.5 -13.4 6 2 A E > - 0 0 141 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.233 25.3-122.1 -60.5 142.6 -38.6 -16.8 -14.8 7 3 A R H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 113.9 51.2 -52.8 -45.6 -36.3 -18.6 -12.3 8 4 A A H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.897 108.7 51.4 -66.0 -33.9 -33.4 -18.5 -14.8 9 5 A S H > S+ 0 0 40 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.872 108.7 51.3 -66.0 -43.0 -33.9 -14.7 -15.3 10 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.914 111.7 47.7 -57.8 -44.4 -33.8 -14.2 -11.5 11 7 A I H X S+ 0 0 12 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.946 112.6 47.8 -62.0 -47.7 -30.6 -16.2 -11.4 12 8 A Q H X S+ 0 0 124 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.932 113.3 48.4 -59.9 -43.3 -29.1 -14.3 -14.3 13 9 A K H X S+ 0 0 85 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.856 106.6 57.1 -69.4 -32.3 -30.1 -10.9 -12.6 14 10 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 107.5 48.4 -62.5 -39.6 -28.6 -12.1 -9.3 15 11 A K H X S+ 0 0 69 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.902 112.4 48.1 -67.6 -37.0 -25.3 -12.6 -11.1 16 12 A L H X S+ 0 0 94 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 110.1 51.6 -67.3 -40.2 -25.5 -9.2 -12.7 17 13 A A H <>S+ 0 0 7 -4,-2.9 5,-3.2 1,-0.2 4,-0.3 0.901 108.0 53.1 -65.4 -39.8 -26.4 -7.5 -9.4 18 14 A E H ><5S+ 0 0 67 -4,-2.3 3,-1.4 3,-0.2 -1,-0.2 0.923 108.9 48.6 -57.2 -45.8 -23.4 -9.2 -7.8 19 15 A Q H 3<5S+ 0 0 151 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.890 114.5 46.8 -63.2 -33.0 -21.1 -7.7 -10.6 20 16 A A T 3<5S- 0 0 65 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.389 112.1-122.7 -88.0 3.9 -22.8 -4.4 -9.9 21 17 A E T < 5 + 0 0 146 -3,-1.4 2,-1.0 -4,-0.3 -3,-0.2 0.839 66.0 141.8 50.5 37.9 -22.3 -4.8 -6.1 22 18 A R >< + 0 0 144 -5,-3.2 4,-2.4 1,-0.2 -1,-0.2 -0.687 17.5 165.7-102.7 75.3 -26.1 -4.3 -5.8 23 19 A Y H > + 0 0 54 -2,-1.0 4,-2.5 2,-0.2 32,-0.2 0.780 68.2 57.0 -75.2 -28.2 -26.5 -6.9 -3.0 24 20 A E H > S+ 0 0 149 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.944 113.2 43.2 -61.8 -46.3 -30.0 -5.9 -1.9 25 21 A D H > S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.922 112.0 53.9 -61.8 -46.1 -31.2 -6.5 -5.4 26 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.923 110.3 47.2 -51.7 -46.9 -29.1 -9.7 -5.6 27 23 A A H X S+ 0 0 5 -4,-2.5 4,-3.0 24,-0.2 5,-0.2 0.936 111.5 49.6 -65.9 -43.6 -30.8 -11.0 -2.4 28 24 A A H X S+ 0 0 37 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.888 111.4 49.1 -64.3 -39.3 -34.3 -10.2 -3.6 29 25 A F H X S+ 0 0 33 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.922 114.6 45.5 -62.4 -46.5 -33.6 -11.9 -7.0 30 26 A M H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.869 109.6 54.1 -64.8 -37.1 -32.2 -15.0 -5.1 31 27 A K H X S+ 0 0 63 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.935 109.9 49.5 -57.1 -48.8 -35.2 -14.9 -2.7 32 28 A G H X S+ 0 0 2 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.903 109.8 50.9 -57.5 -40.9 -37.4 -15.0 -5.8 33 29 A A H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 5,-0.4 0.919 110.3 48.1 -62.6 -45.1 -35.5 -17.9 -7.2 34 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.4 1,-0.2 -1,-0.2 0.929 105.2 60.1 -59.4 -42.2 -35.8 -19.9 -4.0 35 31 A E H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.616 83.3 79.7 -67.9 -7.6 -39.6 -19.1 -3.9 36 32 A K T << S- 0 0 69 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.704 103.5-129.1 -67.9 -18.2 -39.9 -20.9 -7.2 37 33 A G < + 0 0 45 -3,-2.4 2,-0.2 1,-0.4 -2,-0.1 0.244 67.0 119.6 96.6 -11.3 -39.8 -24.1 -5.1 38 34 A E S S- 0 0 135 -5,-0.4 -1,-0.4 1,-0.1 -2,-0.1 -0.556 71.9 -98.8 -84.1 152.9 -37.1 -26.0 -6.9 39 35 A E - 0 0 110 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.259 40.6-116.4 -63.1 157.7 -33.9 -27.0 -5.1 40 36 A L - 0 0 7 71,-0.1 -1,-0.1 -3,-0.1 2,-0.0 -0.773 19.5-128.1 -99.4 143.8 -30.9 -24.8 -5.7 41 37 A S > - 0 0 50 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.270 35.7 -96.6 -73.5 174.3 -27.7 -25.9 -7.4 42 38 A V H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.940 127.0 47.6 -55.8 -48.2 -24.3 -25.4 -5.8 43 39 A E H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 113.1 48.1 -61.2 -45.0 -23.8 -22.2 -7.8 44 40 A E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 108.7 52.8 -68.9 -36.8 -27.2 -20.9 -6.9 45 41 A R H X S+ 0 0 20 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.917 108.3 52.9 -64.4 -38.2 -26.8 -21.7 -3.1 46 42 A N H X S+ 0 0 74 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.924 109.0 47.9 -60.7 -40.8 -23.6 -19.7 -3.3 47 43 A L H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.897 111.2 51.1 -65.7 -41.1 -25.4 -16.8 -4.8 48 44 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.952 114.3 44.0 -57.5 -49.9 -28.1 -17.0 -2.2 49 45 A S H X S+ 0 0 15 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.910 113.7 49.2 -64.8 -45.4 -25.5 -17.0 0.6 50 46 A V H X S+ 0 0 45 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.915 109.1 53.2 -63.4 -42.1 -23.3 -14.2 -0.9 51 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -24,-0.2 0.981 116.9 36.2 -58.9 -53.6 -26.3 -11.9 -1.4 52 48 A Y H X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.882 111.4 58.7 -69.7 -35.6 -27.6 -12.1 2.1 53 49 A K H X S+ 0 0 27 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.876 111.5 44.5 -62.5 -38.3 -24.2 -12.3 3.8 54 50 A N H X S+ 0 0 68 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.918 114.0 47.7 -68.7 -42.4 -23.4 -8.9 2.1 55 51 A V H X S+ 0 0 24 -4,-2.3 4,-1.9 -32,-0.2 -2,-0.2 0.956 119.1 39.2 -62.3 -51.2 -26.8 -7.3 3.0 56 52 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.827 110.9 59.4 -72.3 -29.1 -26.6 -8.4 6.6 57 53 A G H X S+ 0 0 25 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.914 107.1 47.7 -65.0 -39.8 -22.9 -7.7 6.8 58 54 A G H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.930 114.0 46.4 -61.1 -43.2 -23.7 -4.0 5.9 59 55 A Q H X S+ 0 0 12 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.885 112.9 50.3 -71.0 -36.9 -26.5 -3.8 8.5 60 56 A R H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.939 109.4 49.8 -65.7 -43.5 -24.3 -5.5 11.2 61 57 A A H X S+ 0 0 40 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.909 113.8 46.1 -61.1 -42.5 -21.4 -3.1 10.6 62 58 A A H X S+ 0 0 39 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.912 110.5 53.4 -66.5 -41.5 -23.8 -0.1 10.8 63 59 A W H X S+ 0 0 35 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.907 108.0 51.0 -60.1 -40.8 -25.5 -1.6 14.0 64 60 A R H X S+ 0 0 84 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.930 109.4 49.7 -64.8 -41.4 -22.0 -1.9 15.6 65 61 A V H X S+ 0 0 83 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.955 116.4 42.3 -55.1 -54.2 -21.2 1.8 14.7 66 62 A L H X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.886 112.5 53.5 -66.4 -40.5 -24.6 2.9 16.2 67 63 A S H X S+ 0 0 21 -4,-3.3 4,-2.6 -5,-0.2 -1,-0.2 0.897 108.7 49.7 -59.8 -41.4 -24.3 0.6 19.3 68 64 A S H X S+ 0 0 50 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.915 112.0 48.1 -68.0 -37.2 -20.9 2.0 20.1 69 65 A I H X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.932 111.5 50.0 -64.8 -42.5 -22.2 5.5 19.9 70 66 A E H X S+ 0 0 15 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.916 110.0 50.9 -66.7 -41.4 -25.2 4.6 22.1 71 67 A Q H >X S+ 0 0 113 -4,-2.6 3,-1.1 1,-0.2 4,-0.7 0.936 109.6 48.9 -64.2 -46.9 -22.9 3.0 24.7 72 68 A K H >< S+ 0 0 129 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.898 107.7 57.1 -55.9 -37.0 -20.6 6.1 24.9 73 69 A S H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.679 106.0 50.5 -69.8 -18.7 -23.8 8.2 25.2 74 70 A N H << S+ 0 0 108 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.544 88.2 107.6 -97.2 -7.0 -24.7 6.2 28.3 75 71 A E S X< S- 0 0 130 -3,-1.0 3,-1.8 -4,-0.7 -3,-0.0 -0.293 86.3 -83.1 -67.1 151.8 -21.3 6.6 30.0 76 72 A E T 3 S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 -0.299 117.3 21.9 -56.1 133.2 -20.9 8.8 33.1 77 73 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.372 88.0 137.6 90.0 -3.8 -20.4 12.5 32.1 78 74 A S < - 0 0 44 -3,-1.8 -1,-0.3 -6,-0.1 2,-0.2 -0.555 59.1-115.5 -74.5 131.1 -22.0 12.1 28.7 79 75 A E - 0 0 168 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.545 30.8-111.0 -66.8 135.1 -24.4 14.9 27.7 80 76 A E + 0 0 145 -2,-0.2 -1,-0.1 1,-0.1 -6,-0.1 -0.543 38.7 176.4 -61.7 119.4 -28.0 13.7 27.3 81 77 A K - 0 0 76 1,-0.4 3,-0.4 -2,-0.4 -1,-0.1 0.376 42.0-115.2-114.8 5.2 -28.8 14.0 23.6 82 78 A G - 0 0 34 1,-0.2 3,-0.4 2,-0.1 -1,-0.4 -0.471 49.0 -47.8 95.5-165.7 -32.3 12.5 23.7 83 79 A P S > S+ 0 0 55 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.447 101.4 100.3 -86.3 1.0 -33.7 9.3 22.3 84 80 A E H > S+ 0 0 111 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.838 80.1 46.8 -64.3 -43.2 -32.3 9.6 18.7 85 81 A V H > S+ 0 0 38 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.953 116.6 44.7 -61.5 -48.9 -29.3 7.3 18.9 86 82 A R H > S+ 0 0 102 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.925 114.5 51.2 -63.0 -45.2 -31.2 4.5 20.6 87 83 A E H X S+ 0 0 95 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.917 113.3 42.3 -57.0 -41.7 -34.1 5.1 18.1 88 84 A Y H X S+ 0 0 120 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.906 112.8 52.5 -81.8 -32.9 -31.9 4.9 15.0 89 85 A R H X S+ 0 0 34 -4,-3.1 4,-2.9 -5,-0.2 -1,-0.2 0.931 111.7 49.5 -60.2 -41.3 -29.9 1.9 16.4 90 86 A E H X S+ 0 0 71 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.861 108.5 51.9 -61.4 -37.6 -33.4 0.2 17.0 91 87 A K H X S+ 0 0 134 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.934 113.7 42.5 -65.8 -48.3 -34.4 1.1 13.4 92 88 A V H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.927 114.9 52.8 -64.8 -39.5 -31.2 -0.5 12.0 93 89 A E H X S+ 0 0 23 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.910 108.7 48.7 -61.5 -45.7 -31.6 -3.4 14.4 94 90 A T H X S+ 0 0 90 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.910 111.6 49.6 -62.2 -40.1 -35.2 -4.1 13.3 95 91 A E H X S+ 0 0 106 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.908 111.6 48.6 -65.6 -43.7 -34.2 -4.0 9.7 96 92 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.924 110.1 50.9 -64.6 -44.3 -31.4 -6.4 10.3 97 93 A Q H X S+ 0 0 58 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.880 107.7 55.2 -57.9 -37.3 -33.7 -8.8 12.3 98 94 A G H X S+ 0 0 30 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.910 107.0 48.4 -65.7 -36.6 -36.0 -8.7 9.4 99 95 A V H X S+ 0 0 22 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.931 112.6 48.6 -67.1 -44.2 -33.3 -9.8 7.0 100 96 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.905 111.6 49.6 -61.8 -42.6 -32.4 -12.6 9.3 101 97 A D H X S+ 0 0 94 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.883 108.8 53.3 -65.0 -34.7 -36.0 -13.6 9.6 102 98 A T H X S+ 0 0 52 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.929 113.0 42.9 -61.3 -49.5 -36.4 -13.6 5.8 103 99 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 3,-0.2 0.945 113.3 51.6 -66.5 -43.1 -33.4 -15.9 5.3 104 100 A L H X S+ 0 0 16 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.900 109.2 52.3 -60.8 -34.9 -34.5 -18.1 8.2 105 101 A G H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -1,-0.3 0.868 107.1 50.2 -66.1 -36.3 -37.8 -18.3 6.6 106 102 A L H <>S+ 0 0 10 -4,-1.8 5,-1.9 2,-0.2 -2,-0.2 0.891 111.9 49.6 -69.2 -41.0 -36.4 -19.3 3.2 107 103 A L H <>S+ 0 0 2 -4,-2.6 5,-2.9 1,-0.2 6,-0.5 0.890 116.6 40.7 -63.4 -39.0 -34.4 -22.1 5.0 108 104 A D H <5S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.725 106.5 69.2 -81.2 -24.1 -37.4 -23.3 6.8 109 105 A S T <5S- 0 0 63 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.648 131.9 -54.9-129.8 76.9 -39.8 -23.0 3.8 110 106 A H T >5S+ 0 0 98 -3,-0.4 4,-1.4 -2,-0.2 -3,-0.2 -0.737 112.6 94.3-148.5 35.6 -38.4 -25.2 2.3 111 107 A L H >4> S- 0 0 116 1,-0.1 4,-3.1 4,-0.0 3,-0.5 -0.486 82.3-124.5 -80.0 142.3 -27.1 -34.3 -0.0 118 114 A A H 3> S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.906 110.0 55.5 -46.7 -45.5 -24.4 -33.4 2.6 119 115 A E H 3> S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.827 115.9 37.0 -68.6 -26.9 -23.2 -30.4 0.6 120 116 A S H <> S+ 0 0 7 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.911 118.3 48.1 -86.8 -46.6 -26.6 -28.9 0.5 121 117 A R H X S+ 0 0 63 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.926 114.8 44.9 -59.7 -44.5 -27.8 -29.8 3.9 122 118 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.911 112.5 53.1 -67.5 -39.6 -24.6 -28.6 5.7 123 119 A F H X S+ 0 0 18 -4,-0.9 4,-2.3 -5,-0.4 -1,-0.2 0.921 112.4 43.0 -58.4 -52.2 -24.6 -25.4 3.7 124 120 A Y H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.860 114.3 50.1 -66.6 -37.7 -28.2 -24.5 4.6 125 121 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.877 108.1 53.4 -70.0 -34.5 -27.7 -25.5 8.3 126 122 A K H X S+ 0 0 16 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.955 109.8 48.7 -58.3 -46.5 -24.6 -23.4 8.4 127 123 A M H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.930 109.3 53.0 -58.5 -41.2 -26.7 -20.5 7.1 128 124 A K H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.928 111.6 45.1 -61.0 -45.2 -29.3 -21.3 9.7 129 125 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.918 113.4 52.0 -62.4 -42.1 -26.6 -21.1 12.5 130 126 A D H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.914 111.1 44.5 -64.0 -47.4 -25.2 -17.9 10.9 131 127 A Y H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.876 114.2 48.6 -73.8 -30.1 -28.5 -16.0 10.8 132 128 A Y H X S+ 0 0 58 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.882 110.0 54.5 -69.1 -36.6 -29.5 -17.0 14.3 133 129 A R H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.913 106.3 50.3 -60.9 -40.1 -26.1 -16.0 15.4 134 130 A Y H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.901 110.9 49.9 -63.0 -37.5 -26.7 -12.5 13.8 135 131 A L H >X S+ 0 0 13 -4,-2.1 3,-1.0 1,-0.2 4,-0.9 0.908 109.0 52.4 -62.8 -40.3 -29.9 -12.4 15.7 136 132 A A H 3< S+ 0 0 3 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.823 97.9 65.6 -64.4 -31.4 -28.0 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-24.2 -28.6 15.6 157 153 A E H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 114.2 50.4 -64.4 -38.0 -26.4 -30.6 13.2 158 154 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.912 111.3 48.7 -62.1 -43.2 -24.3 -29.2 10.3 159 155 A M H X S+ 0 0 9 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.928 109.9 51.8 -62.2 -44.6 -21.1 -30.2 12.1 160 156 A D H X S+ 0 0 91 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.931 115.1 40.8 -62.8 -42.4 -22.4 -33.8 12.8 161 157 A I H X S+ 0 0 34 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.929 114.6 51.5 -67.3 -45.9 -23.3 -34.3 9.1 162 158 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.866 108.9 50.8 -62.8 -36.9 -20.2 -32.6 7.8 163 159 A K H < S+ 0 0 103 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.885 118.0 40.2 -68.2 -32.5 -17.9 -34.8 10.0 164 160 A K H < S+ 0 0 173 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.857 129.7 24.1 -77.6 -38.7 -19.8 -37.9 8.7 165 161 A E H < S+ 0 0 113 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.482 110.3 61.7-117.9 -6.0 -20.2 -37.1 5.0 166 162 A M S < S- 0 0 8 -4,-1.8 -1,-0.0 -5,-0.3 0, 0.0 -0.940 78.5-109.1-129.2 146.4 -17.5 -34.6 4.0 167 163 A P > - 0 0 60 0, 0.0 3,-2.3 0, 0.0 6,-0.2 -0.343 36.4-111.1 -70.3 155.2 -13.7 -34.6 3.9 168 164 A P T 3 S+ 0 0 31 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.660 117.0 54.0 -62.7 -19.9 -12.0 -32.5 6.5 169 165 A T T 3 S+ 0 0 2 35,-0.1 55,-0.1 39,-0.1 36,-0.1 0.446 73.6 126.6 -88.1 -4.2 -10.8 -30.1 3.8 170 166 A H <> - 0 0 44 -3,-2.3 4,-2.5 1,-0.2 5,-0.3 -0.363 62.9-134.4 -59.2 130.6 -14.2 -29.4 2.2 171 167 A P H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.855 105.3 52.4 -57.1 -30.0 -14.6 -25.6 2.1 172 168 A I H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 110.3 48.1 -71.8 -42.7 -18.1 -25.8 3.5 173 169 A R H > S+ 0 0 32 -3,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.937 114.4 45.9 -60.1 -41.4 -16.9 -27.9 6.4 174 170 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.911 114.2 47.7 -68.2 -39.6 -14.0 -25.5 7.1 175 171 A G H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.3 67,-0.3 0.881 111.2 51.5 -71.4 -35.0 -16.3 -22.4 6.8 176 172 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.925 112.1 46.0 -64.1 -45.6 -18.9 -24.0 9.1 177 173 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.908 110.1 54.8 -65.2 -42.3 -16.2 -24.7 11.7 178 174 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.951 114.2 39.9 -51.5 -51.2 -14.8 -21.2 11.3 179 175 A N H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.875 113.3 52.4 -73.2 -36.9 -18.2 -19.7 12.1 180 176 A F H X S+ 0 0 7 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.900 109.0 52.2 -65.4 -33.0 -19.2 -22.1 14.8 181 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.937 109.7 47.8 -64.9 -42.7 -15.9 -21.3 16.4 182 178 A V H X>S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.6 0.933 109.1 55.2 -62.5 -38.1 -16.7 -17.6 16.2 183 179 A F H X>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 4,-2.2 0.952 110.7 45.2 -57.5 -51.3 -20.1 -18.4 17.7 184 180 A H H <5S+ 0 0 8 -4,-2.6 6,-3.3 3,-0.2 -1,-0.2 0.923 115.5 47.1 -59.9 -40.2 -18.4 -20.1 20.6 185 181 A Y H <5S+ 0 0 84 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.944 129.4 15.6 -72.6 -44.9 -15.9 -17.3 21.1 186 182 A E H <5S+ 0 0 75 -4,-3.1 -3,-0.2 -5,-0.2 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4,-2.9 2,-0.2 5,-0.2 0.947 113.8 44.5 -67.2 -51.6 -7.3 -25.8 16.0 200 196 A T H X S+ 0 0 55 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.906 115.1 49.6 -60.9 -40.3 -8.7 -29.3 15.5 201 197 A T H X S+ 0 0 13 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.956 112.3 47.6 -66.3 -44.9 -10.4 -28.2 12.3 202 198 A F H X S+ 0 0 23 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.925 114.9 45.6 -59.5 -48.2 -7.1 -26.6 11.0 203 199 A D H X S+ 0 0 68 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.910 111.5 50.4 -68.9 -38.9 -5.0 -29.7 11.9 204 200 A E H X S+ 0 0 89 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.839 112.9 47.9 -67.6 -33.3 -7.4 -32.3 10.4 205 201 A A H >X S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.2 4,-0.9 0.923 106.8 56.1 -72.7 -44.4 -7.6 -30.3 7.2 206 202 A M H >< S+ 0 0 90 -4,-2.7 3,-0.9 1,-0.3 4,-0.4 0.902 106.3 52.0 -46.9 -45.9 -3.7 -30.0 7.1 207 203 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.659 111.1 46.7 -73.7 -14.6 -3.5 -33.8 7.2 208 204 A D H X< S+ 0 0 29 -3,-1.4 3,-1.9 -4,-0.5 -1,-0.2 0.454 83.3 93.1-101.8 -8.3 -5.9 -34.2 4.3 209 205 A L G X< S+ 0 0 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0 93 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.918 116.2 40.1 -61.0 -44.6 -9.8 -23.5 -2.0 220 216 A S H >X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.942 112.4 53.1 -74.9 -41.2 -9.2 -25.3 1.3 221 217 A T H 3X S+ 0 0 40 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.871 101.5 63.8 -65.8 -28.0 -6.0 -23.5 2.3 222 218 A L H 3X S+ 0 0 123 -4,-1.8 4,-0.9 -5,-0.3 -1,-0.2 0.915 109.9 36.4 -57.4 -48.9 -7.9 -20.1 1.8 223 219 A I H