==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/INHIBITOR 30-JAN-12 4DHT . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.THIEL,L.ROEGLIN,O.KOHLBACHER,C.OTTMANN . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 82.0 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 1 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 -3 A A 0 0 139 0, 0.0 3,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -9.7 -1.9 9.5 6.2 2 -2 A M > + 0 0 40 1,-0.2 3,-1.6 2,-0.1 8,-0.1 0.299 360.0 106.0-102.5 6.7 0.4 11.9 8.2 3 -1 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 32,-0.0 0, 0.0 0.781 77.0 50.0 -57.0 -29.2 -2.5 14.3 8.9 4 0 A S T 3 S+ 0 0 124 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.509 92.6 92.2 -89.7 -6.2 -2.9 13.2 12.5 5 1 A M S < S- 0 0 42 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.756 82.9-110.7 -93.5 135.8 0.9 13.6 13.4 6 2 A E > - 0 0 141 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.278 25.0-121.2 -54.5 145.5 2.3 16.9 14.8 7 3 A R H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.909 113.8 50.0 -55.0 -45.3 4.6 18.7 12.5 8 4 A A H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 108.7 52.3 -67.1 -32.4 7.4 18.6 14.9 9 5 A S H > S+ 0 0 43 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.876 107.9 52.5 -66.3 -38.2 7.0 14.8 15.4 10 6 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.896 111.4 46.3 -62.6 -45.2 7.1 14.3 11.6 11 7 A I H X S+ 0 0 13 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 112.9 49.1 -62.5 -44.8 10.4 16.3 11.5 12 8 A Q H X S+ 0 0 124 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.941 113.1 47.1 -63.5 -43.1 11.8 14.3 14.4 13 9 A K H X S+ 0 0 83 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.858 107.0 57.8 -68.5 -30.6 10.8 11.0 12.8 14 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.920 107.4 48.3 -60.8 -40.7 12.3 12.1 9.4 15 11 A K H X S+ 0 0 70 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.905 112.1 48.2 -67.9 -41.7 15.7 12.6 11.2 16 12 A L H X S+ 0 0 96 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.915 110.1 51.5 -60.2 -43.8 15.4 9.1 12.8 17 13 A A H <>S+ 0 0 8 -4,-3.0 5,-3.3 1,-0.2 4,-0.2 0.887 107.6 53.8 -65.9 -37.6 14.5 7.5 9.4 18 14 A E H ><5S+ 0 0 74 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.924 109.2 48.3 -56.3 -43.6 17.6 9.2 7.9 19 15 A Q H 3<5S+ 0 0 150 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.845 114.0 46.9 -66.5 -30.5 19.7 7.6 10.7 20 16 A A T 3<5S- 0 0 67 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.362 112.5-121.5 -91.3 3.6 18.1 4.2 10.1 21 17 A E T < 5 + 0 0 147 -3,-1.3 2,-0.9 -4,-0.2 -3,-0.2 0.827 66.5 140.8 52.7 38.7 18.6 4.6 6.3 22 18 A R >< + 0 0 148 -5,-3.3 4,-2.5 1,-0.2 -1,-0.2 -0.683 18.0 166.1-107.1 81.9 14.8 4.3 5.8 23 19 A Y H > + 0 0 59 -2,-0.9 4,-2.4 1,-0.2 32,-0.2 0.780 69.1 56.9 -78.8 -27.0 14.4 6.8 3.0 24 20 A E H > S+ 0 0 148 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 112.4 44.2 -64.0 -42.8 10.9 5.9 1.9 25 21 A D H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 111.9 54.1 -64.0 -43.4 9.7 6.5 5.5 26 22 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 109.9 47.3 -53.8 -47.0 11.8 9.7 5.6 27 23 A A H X S+ 0 0 5 -4,-2.4 4,-2.8 24,-0.3 -1,-0.2 0.905 111.1 50.1 -63.7 -42.7 10.1 11.0 2.4 28 24 A A H X S+ 0 0 39 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.875 111.1 48.7 -65.9 -36.2 6.6 10.2 3.7 29 25 A F H X S+ 0 0 32 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 114.5 46.0 -66.7 -47.6 7.3 12.0 7.0 30 26 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.858 109.7 54.0 -63.9 -37.2 8.7 15.1 5.1 31 27 A K H X S+ 0 0 68 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.941 109.8 48.8 -54.8 -48.3 5.7 15.0 2.7 32 28 A G H < S+ 0 0 3 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.888 110.4 51.2 -61.0 -39.1 3.4 15.1 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 5,-0.4 0.923 109.9 47.7 -65.0 -45.2 5.4 18.0 7.2 34 30 A V H >< S+ 0 0 9 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.919 104.9 62.1 -58.2 -42.9 5.1 20.0 4.0 35 31 A E T 3< S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.593 82.8 78.4 -61.8 -11.4 1.4 19.2 3.9 36 32 A K T < S- 0 0 71 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.637 104.4-127.3 -67.2 -20.3 1.0 21.1 7.2 37 33 A G < + 0 0 68 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.298 66.8 120.8 93.6 -8.6 1.1 24.2 5.1 38 34 A E S S- 0 0 133 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.538 70.6 -97.7 -83.9 151.9 3.9 26.1 6.9 39 35 A E - 0 0 113 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.275 41.4-116.1 -61.1 155.1 7.1 27.2 5.2 40 36 A L - 0 0 9 65,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.802 19.5-129.0 -95.8 138.5 10.1 25.0 5.7 41 37 A S > - 0 0 51 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.275 35.6 -97.7 -71.3 173.9 13.3 26.1 7.4 42 38 A C H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.944 126.7 48.9 -60.1 -45.5 16.7 25.5 5.8 43 39 A E H > S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.916 111.9 48.7 -59.3 -44.0 17.3 22.4 7.8 44 40 A E H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 107.5 55.8 -65.8 -39.1 13.8 21.0 6.9 45 41 A R H X S+ 0 0 25 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.915 107.7 49.2 -56.3 -43.1 14.4 21.8 3.2 46 42 A N H X S+ 0 0 77 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.863 107.7 53.0 -70.5 -29.4 17.5 19.7 3.3 47 43 A L H X S+ 0 0 10 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.922 110.3 49.5 -66.1 -43.6 15.6 16.8 4.9 48 44 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.942 113.2 45.8 -57.0 -50.3 13.0 17.0 2.2 49 45 A S H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.929 113.0 48.8 -60.2 -49.5 15.7 17.0 -0.5 50 46 A V H X S+ 0 0 42 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.931 110.9 51.3 -58.9 -44.2 17.8 14.1 1.0 51 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -24,-0.3 0.961 116.5 37.7 -59.6 -55.7 14.7 11.9 1.5 52 48 A Y H X S+ 0 0 15 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.852 111.7 58.6 -71.3 -28.1 13.4 12.2 -2.1 53 49 A K H X S+ 0 0 102 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.893 110.9 43.6 -65.8 -40.4 16.9 12.1 -3.7 54 50 A N H X S+ 0 0 44 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.890 114.0 49.0 -71.2 -40.4 17.6 8.8 -2.1 55 51 A V H X S+ 0 0 18 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.960 118.1 39.6 -62.0 -53.0 14.1 7.3 -3.0 56 52 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.854 109.8 61.1 -67.8 -33.6 14.4 8.4 -6.6 57 53 A G H X S+ 0 0 23 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.921 104.7 49.0 -57.4 -46.3 18.0 7.5 -6.7 58 54 A G H X S+ 0 0 48 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.922 114.3 45.5 -53.1 -48.4 17.0 3.8 -5.9 59 55 A Q H X S+ 0 0 31 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.875 112.4 49.9 -66.4 -43.3 14.4 3.9 -8.7 60 56 A R H X S+ 0 0 44 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.920 110.5 50.3 -65.5 -38.7 16.7 5.5 -11.3 61 57 A A H X S+ 0 0 56 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.946 113.5 45.8 -66.0 -42.9 19.4 3.0 -10.6 62 58 A A H X S+ 0 0 37 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.901 110.4 52.6 -60.0 -46.0 16.9 0.1 -11.0 63 59 A W H X S+ 0 0 40 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.903 108.5 52.7 -59.7 -38.1 15.4 1.6 -14.2 64 60 A R H X S+ 0 0 116 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.936 108.8 47.6 -63.8 -46.9 18.9 1.8 -15.6 65 61 A V H X S+ 0 0 89 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.952 116.8 44.1 -53.1 -51.9 19.7 -1.8 -15.0 66 62 A L H X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.892 111.6 52.6 -69.1 -39.0 16.3 -2.9 -16.5 67 63 A S H X S+ 0 0 21 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.916 109.4 49.9 -62.9 -38.9 16.6 -0.5 -19.5 68 64 A S H X S+ 0 0 53 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.917 111.7 47.7 -65.7 -43.9 20.0 -2.0 -20.3 69 65 A I H X S+ 0 0 80 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.929 112.6 49.7 -61.4 -45.5 18.7 -5.5 -20.1 70 66 A E H X S+ 0 0 19 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.895 108.2 52.5 -62.0 -41.1 15.7 -4.6 -22.3 71 67 A Q H >< S+ 0 0 113 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.936 109.4 49.1 -64.7 -44.1 18.0 -2.9 -24.9 72 68 A K H 3< S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.849 105.5 58.5 -59.7 -36.7 20.1 -6.1 -25.1 73 69 A S H 3< 0 0 77 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.665 360.0 360.0 -62.1 -17.5 16.8 -8.1 -25.5 74 70 A N << 0 0 150 -3,-1.4 -3,-0.1 -4,-0.6 -4,-0.0 -0.151 360.0 360.0-112.1 360.0 16.1 -6.0 -28.7 75 ! 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 76 78 A G 0 0 106 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-176.2 8.6 -12.4 -23.7 77 79 A P > + 0 0 54 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.444 360.0 98.2 -83.1 -3.0 7.0 -9.2 -22.4 78 80 A E H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 79.8 48.3 -63.9 -43.7 8.5 -9.6 -18.9 79 81 A V H > S+ 0 0 45 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.967 116.5 43.8 -59.2 -52.0 11.5 -7.3 -19.1 80 82 A R H > S+ 0 0 99 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.904 114.1 51.9 -59.5 -42.9 9.4 -4.5 -20.7 81 83 A E H X S+ 0 0 99 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.935 113.3 42.4 -61.4 -43.0 6.6 -5.0 -18.1 82 84 A Y H X S+ 0 0 121 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.899 112.9 51.7 -76.4 -37.0 8.9 -4.8 -15.2 83 85 A R H X S+ 0 0 35 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.931 111.4 50.2 -56.9 -44.8 10.9 -1.9 -16.6 84 86 A E H X S+ 0 0 76 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.880 107.4 53.3 -61.0 -38.1 7.5 -0.2 -17.1 85 87 A K H X S+ 0 0 118 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.942 113.6 42.4 -59.6 -49.4 6.4 -1.0 -13.4 86 88 A V H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.909 113.5 53.0 -67.0 -42.5 9.6 0.7 -12.1 87 89 A E H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.909 108.8 50.1 -57.7 -48.5 9.3 3.6 -14.5 88 90 A T H X S+ 0 0 88 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.900 111.4 46.8 -59.8 -40.7 5.7 4.2 -13.4 89 91 A E H X S+ 0 0 104 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.921 111.7 51.9 -72.0 -34.5 6.7 4.3 -9.7 90 92 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.909 110.8 48.6 -60.8 -46.4 9.6 6.6 -10.5 91 93 A Q H X S+ 0 0 58 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.868 108.5 54.0 -65.4 -35.3 7.2 8.9 -12.3 92 94 A G H X S+ 0 0 32 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.894 108.0 48.8 -66.7 -36.1 4.8 8.8 -9.4 93 95 A V H X S+ 0 0 23 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.956 113.0 48.1 -65.5 -50.7 7.6 9.9 -7.0 94 96 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.911 111.5 50.1 -59.2 -44.1 8.6 12.8 -9.3 95 97 A D H X S+ 0 0 95 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.861 108.6 52.7 -59.2 -36.8 5.0 13.8 -9.7 96 98 A T H X S+ 0 0 54 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.931 112.1 44.7 -63.7 -45.3 4.6 13.8 -5.9 97 99 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.944 113.6 49.7 -66.5 -44.5 7.7 16.1 -5.4 98 100 A L H X S+ 0 0 17 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.877 109.3 54.3 -60.8 -37.3 6.5 18.4 -8.2 99 101 A G H X S+ 0 0 34 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.901 107.1 48.7 -62.7 -37.9 3.1 18.5 -6.6 100 102 A L H <>S+ 0 0 8 -4,-2.1 5,-1.8 1,-0.2 -2,-0.2 0.893 111.6 50.2 -71.0 -39.1 4.6 19.6 -3.2 101 103 A L H <>S+ 0 0 2 -4,-2.5 5,-2.7 1,-0.2 6,-0.5 0.893 115.9 42.2 -63.4 -41.7 6.6 22.3 -5.0 102 104 A D H <5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.647 104.6 70.6 -79.6 -17.2 3.6 23.6 -6.8 103 105 A S T <5S- 0 0 60 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.1 -0.618 131.3 -57.1-138.2 76.7 1.2 23.3 -3.8 104 106 A H T >5S+ 0 0 111 -3,-0.4 4,-1.7 -2,-0.2 -3,-0.2 -0.748 111.4 97.5-144.0 36.7 2.5 25.5 -2.4 105 107 A L H >4 S- 0 0 113 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.562 81.2-125.4 -83.2 147.2 13.7 34.6 0.2 112 114 A A H > S+ 0 0 15 1,-0.2 4,-2.9 -2,-0.2 5,-0.4 0.895 107.3 56.0 -56.6 -43.1 16.4 33.8 -2.4 113 115 A E H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.883 115.7 37.8 -61.4 -38.2 17.8 30.8 -0.5 114 116 A S H > S+ 0 0 10 2,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.918 116.3 49.5 -78.4 -42.3 14.4 29.1 -0.4 115 117 A R H X S+ 0 0 63 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.939 113.7 45.4 -65.8 -41.9 13.2 30.1 -3.8 116 118 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.898 111.8 54.4 -65.4 -43.3 16.4 29.0 -5.6 117 119 A F H X S+ 0 0 16 -4,-1.4 4,-2.0 -5,-0.4 -1,-0.2 0.947 112.7 41.6 -55.8 -50.0 16.4 25.7 -3.6 118 120 A Y H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.891 114.1 50.9 -71.9 -37.1 12.8 24.8 -4.6 119 121 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.882 109.0 51.2 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53.4 -58.1 -38.7 11.0 12.6 -15.7 130 132 A A H 3< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.3 -2,-0.2 0.825 97.2 64.6 -68.0 -30.7 12.9 13.5 -18.9 131 133 A E H 3< S+ 0 0 30 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.764 113.5 32.5 -61.3 -28.7 15.4 10.6 -18.5 132 134 A V H << S+ 0 0 8 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.409 101.0 102.5-106.3 -2.2 12.5 8.1 -18.9 133 135 A A < - 0 0 8 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.0 -0.423 52.8-157.7 -81.6 157.6 10.4 10.1 -21.4 134 136 A T >> - 0 0 110 -2,-0.1 4,-1.4 2,-0.0 3,-0.8 -0.897 44.8 -8.0-127.8 166.1 10.2 9.6 -25.1 135 137 A G T 34 S- 0 0 53 -2,-0.3 4,-0.4 1,-0.2 2,-0.1 -0.211 115.8 -26.1 68.5-144.7 9.3 11.6 -28.2 136 138 A D T 34 S+ 0 0 107 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 -0.440 132.3 66.9-107.6 50.9 7.7 15.1 -28.0 137 139 A D T <> S+ 0 0 89 -3,-0.8 4,-1.7 -2,-0.1 3,-0.3 0.330 98.9 55.4-113.3 -41.0 6.3 14.4 -24.7 138 140 A K H X S+ 0 0 65 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.826 100.7 60.7 -53.6 -41.0 9.9 14.4 -23.8 139 141 A K H > S+ 0 0 134 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.907 104.5 43.9 -64.2 -45.8 10.2 17.9 -25.3 140 142 A R H > S+ 0 0 183 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.844 114.1 52.6 -68.2 -31.3 7.8 19.7 -23.0 141 143 A I H X S+ 0 0 27 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.934 109.7 47.8 -69.6 -45.1 9.3 17.9 -20.0 142 144 A I H X S+ 0 0 38 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.913 112.0 50.7 -57.0 -47.1 12.8 19.0 -21.0 143 145 A D H X S+ 0 0 86 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.861 108.1 52.1 -62.9 -34.7 11.5 22.5 -21.5 144 146 A S H X S+ 0 0 41 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.875 111.2 46.8 -65.1 -40.8 9.9 22.5 -18.0 145 147 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.950 113.5 50.0 -64.7 -48.5 13.2 21.4 -16.5 146 148 A R H X S+ 0 0 89 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.916 109.8 50.4 -47.8 -54.8 15.1 24.1 -18.5 147 149 A S H X S+ 0 0 57 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.894 110.9 47.8 -56.9 -46.1 12.6 26.8 -17.4 148 150 A A H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.957 114.4 45.3 -63.4 -50.9 12.9 25.9 -13.6 149 151 A Y H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.889 113.4 51.8 -57.5 -37.4 16.7 25.8 -13.6 150 152 A Q H X S+ 0 0 69 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.917 109.3 47.9 -70.8 -44.3 16.9 29.1 -15.7 151 153 A E H X S+ 0 0 78 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.931 114.1 48.2 -61.3 -42.0 14.6 30.9 -13.3 152 154 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.890 110.8 50.9 -62.4 -43.7 16.7 29.6 -10.3 153 155 A M H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.920 108.8 51.7 -60.7 -41.9 20.0 30.6 -12.1 154 156 A D H X S+ 0 0 77 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.931 114.0 42.8 -63.4 -46.5 18.6 34.2 -12.7 155 157 A I H X S+ 0 0 34 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.910 112.6 53.4 -61.4 -46.1 17.7 34.6 -9.1 156 158 A S H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.879 108.7 49.4 -60.1 -35.1 20.9 33.0 -7.8 157 159 A K H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.833 116.1 42.2 -73.0 -34.2 23.1 35.3 -9.9 158 160 A K H < S+ 0 0 172 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.834 128.5 26.4 -75.7 -34.8 21.3 38.5 -8.7 159 161 A E H < S+ 0 0 124 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.532 109.3 56.3-116.0 -10.7 21.0 37.4 -5.0 160 162 A M S < S- 0 0 9 -4,-2.1 -1,-0.0 -5,-0.2 0, 0.0 -0.931 77.4-107.4-127.4 151.8 23.7 35.0 -3.9 161 163 A P > - 0 0 63 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.381 38.0-109.8 -72.2 160.3 27.5 35.1 -3.9 162 164 A P T 3 S+ 0 0 26 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.645 117.6 54.0 -68.1 -15.3 29.2 32.9 -6.4 163 165 A T T 3 S+ 0 0 3 35,-0.1 55,-0.1 36,-0.1 5,-0.1 0.507 73.6 124.5 -93.0 -4.4 30.4 30.6 -3.6 164 166 A N <> - 0 0 32 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.332 62.6-136.5 -58.0 127.9 27.0 30.0 -2.1 165 167 A P H > S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.801 102.3 53.3 -62.7 -30.0 26.6 26.2 -2.0 166 168 A I H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.933 110.7 47.0 -67.0 -45.6 23.0 26.3 -3.2 167 169 A R H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 114.2 49.0 -57.7 -44.6 24.1 28.4 -6.2 168 170 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.883 111.6 46.7 -62.4 -43.8 27.0 26.0 -6.9 169 171 A G H X S+ 0 0 12 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.833 110.6 54.1 -72.6 -32.2 24.9 22.9 -6.7 170 172 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.930 110.9 45.5 -59.4 -49.3 22.2 24.5 -9.0 171 173 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 111.5 52.8 -65.7 -39.6 24.9 25.3 -11.6 172 174 A L H X S+ 0 0 18 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.951 113.5 43.0 -56.4 -52.3 26.3 21.8 -11.2 173 175 A N H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.867 112.7 52.2 -66.8 -35.4 22.9 20.2 -11.8 174 176 A F H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.895 107.9 51.9 -68.4 -34.0 22.0 22.5 -14.7 175 177 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.920 109.8 49.8 -66.1 -37.9 25.3 21.6 -16.4 176 178 A V H X>S+ 0 0 20 -4,-1.9 4,-3.2 2,-0.2 5,-0.5 0.907 108.2 53.3 -65.0 -40.9 24.4 17.9 -16.0 177 179 A F H X>S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 5,-2.2 0.964 110.7 47.0 -54.8 -49.0 21.0 18.7 -17.6 178 180 A H H <5S+ 0 0 20 -4,-2.6 6,-3.3 3,-0.2 -2,-0.2 0.905 118.8 40.3 -60.7 -43.1 22.8 20.4 -20.5 179 181 A Y H <5S+ 0 0 88 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.916 127.5 28.8 -72.0 -44.7 25.2 17.5 -20.9 180 182 A E H <5S+ 0 0 100 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.724 133.3 19.8 -91.7 -32.4 22.8 14.5 -20.3 181 183 A I T < + 0 0 46 -6,-3.3 4,-2.0 -7,-0.2 3,-0.2 -0.590 21.1 160.2-129.2 67.8 24.4 20.6 -25.3 185 187 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.822 75.3 55.0 -64.2 -29.1 27.8 19.5 -24.0 186 188 A E H > S+ 0 0 165 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 108.2 48.0 -72.6 -40.0 29.4 22.8 -24.9 187 189 A E H > S+ 0 0 103 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.899 112.5 52.2 -60.1 -43.5 26.8 24.7 -22.8 188 190 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.937 112.0 43.2 -53.5 -53.5 27.5 22.2 -20.0 189 191 A I H X S+ 0 0 45 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.920 113.9 51.2 -61.7 -43.6 31.2 22.7 -20.1 190 192 A S H X S+ 0 0 65 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.932 112.5 46.8 -62.7 -45.9 30.9 26.5 -20.4 191 193 A L H X S+ 0 0 20 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.940 113.3 46.6 -63.4 -45.7 28.6 26.6 -17.4 192 194 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.901 114.7 47.0 -66.2 -38.7 30.6 24.4 -15.2 193 195 A K H X S+ 0 0 109 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.936 113.7 46.5 -70.5 -45.0 33.9 26.3 -16.0 194 196 A T H X S+ 0 0 75 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.897 113.8 49.7 -59.4 -42.5 32.5 29.8 -15.5 195 197 A T H X S+ 0 0 17 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.937 112.4 47.0 -61.3 -45.9 30.9 28.6 -12.2 196 198 A F H X S+ 0 0 14 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.947 114.3 46.8 -63.2 -45.9 34.1 27.1 -11.0 197 199 A D H X S+ 0 0 73 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.890 112.0 49.3 -66.7 -43.8 36.2 30.2 -11.9 198 200 A E H X S+ 0 0 93 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.867 113.0 47.8 -63.3 -37.3 33.8 32.7 -10.4 199 201 A A H >X S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.2 4,-0.9 0.935 107.3 55.4 -69.4 -45.9 33.6 30.7 -7.2 200 202 A M H >< S+ 0 0 96 -4,-2.8 3,-0.9 1,-0.3 4,-0.3 0.900 106.0 52.5 -51.7 -42.0 37.5 30.4 -6.9 201 203 A A H 3< S+ 0 0 74 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.616 111.1 47.2 -70.9 -13.7 37.8 34.2 -7.1 202 204 A D H X< S+ 0 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-4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.924 112.3 48.1 -64.6 -40.8 35.1 23.6 3.0 213 215 A D H X S+ 0 0 95 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.936 116.7 42.5 -63.8 -48.2 31.4 23.7 2.0 214 216 A S H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.932 112.7 50.6 -64.9 -46.2 32.1 25.6 -1.2 215 217 A T H X S+ 0 0 40 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.788 102.3 62.3 -71.3 -25.2 35.2 23.8 -2.3 216 218 A L H X S+ 0 0 100 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.937 109.7 40.2 -63.6 -41.3 33.5 20.4 -1.9 217 219 A I H X S+ 0 0 22 -4,-1.3 4,-1.8 -3,-0.3 -2,-0.2 0.879 109.9 59.4 -77.6 -29.8 31.0 21.4 -4.6 218 220 A M H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.895 101.6 55.7 -60.5 -35.3 33.7 23.0 -6.7 219 221 A Q H X S+ 0 0 91 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.894 104.1 52.8 -66.2 -36.9 35.4 19.6 -6.8 220 222 A L H X S+ 0 0 75 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.877 109.4 49.4 -61.1 -39.8 32.2 18.0 -8.2 221 223 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.934 112.4 47.8 -62.4 -44.4 32.3 20.7 -11.0 222 224 A R H X S+ 0 0 121 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