==== 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 4DHR . 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) . 12690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 83.8 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 73.7 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 0 2 0 0 1 0 1 0 0 2 0 0 0 2 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 0 141 0, 0.0 3,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -18.0 -1.8 9.2 6.4 2 -2 A M > + 0 0 41 1,-0.2 3,-1.8 2,-0.1 8,-0.1 0.413 360.0 100.9 -96.2 7.1 0.3 11.8 8.2 3 -1 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.2 32,-0.0 0, 0.0 0.725 80.7 51.2 -61.7 -26.2 -2.5 14.3 8.9 4 0 A S T 3 S+ 0 0 122 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.509 92.6 90.3 -88.9 -4.1 -2.9 13.2 12.5 5 1 A M S < S- 0 0 38 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.766 83.4-109.7 -95.9 137.9 0.8 13.5 13.4 6 2 A E > - 0 0 142 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.250 23.8-121.8 -60.4 146.0 2.3 16.8 14.8 7 3 A R H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 113.2 50.4 -51.6 -47.6 4.6 18.7 12.5 8 4 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 109.2 51.6 -67.2 -31.2 7.4 18.6 14.9 9 5 A S H > S+ 0 0 40 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.886 107.6 52.8 -70.2 -37.1 7.0 14.8 15.4 10 6 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 111.3 46.6 -63.1 -43.1 7.1 14.3 11.6 11 7 A I H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.935 112.5 49.4 -64.5 -43.5 10.4 16.2 11.4 12 8 A Q H X S+ 0 0 123 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.917 112.6 47.5 -60.9 -42.6 11.9 14.3 14.3 13 9 A K H X S+ 0 0 84 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.851 107.3 57.1 -69.6 -31.5 10.8 11.0 12.7 14 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 107.9 47.8 -61.4 -41.2 12.3 12.1 9.4 15 11 A K H X S+ 0 0 77 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.900 112.9 47.8 -67.3 -37.6 15.7 12.6 11.1 16 12 A L H X S+ 0 0 93 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 110.7 52.4 -64.9 -42.8 15.4 9.1 12.8 17 13 A A H <>S+ 0 0 8 -4,-3.0 5,-2.8 1,-0.2 4,-0.4 0.900 107.4 52.1 -61.9 -39.6 14.5 7.6 9.4 18 14 A E H ><5S+ 0 0 71 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.935 109.0 49.2 -62.7 -44.8 17.6 9.2 7.9 19 15 A Q H 3<5S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 114.0 47.1 -60.2 -34.5 19.8 7.6 10.7 20 16 A A T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.397 112.6-121.5 -86.7 0.7 18.1 4.3 10.0 21 17 A E T < 5 + 0 0 148 -3,-1.4 2,-1.0 -4,-0.4 -3,-0.2 0.805 66.4 142.3 57.1 38.4 18.6 4.6 6.2 22 18 A R >< + 0 0 149 -5,-2.8 4,-2.5 1,-0.2 -1,-0.2 -0.677 17.5 165.7-106.5 74.5 14.8 4.3 5.8 23 19 A Y H > + 0 0 57 -2,-1.0 4,-2.6 1,-0.2 32,-0.2 0.813 68.8 55.2 -73.6 -28.9 14.5 6.8 3.0 24 20 A E H > S+ 0 0 155 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 112.6 45.1 -65.8 -41.3 10.9 6.0 1.9 25 21 A D H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.927 111.6 53.6 -64.3 -41.2 9.8 6.5 5.4 26 22 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 110.2 46.7 -57.2 -46.4 11.9 9.7 5.6 27 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.8 24,-0.3 -1,-0.2 0.908 110.8 51.5 -66.7 -39.3 10.2 11.0 2.4 28 24 A A H X S+ 0 0 39 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.908 111.5 48.0 -63.9 -39.7 6.7 10.1 3.7 29 25 A F H X S+ 0 0 33 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.917 113.4 47.2 -63.3 -44.7 7.4 12.0 7.0 30 26 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.848 109.8 52.9 -69.7 -34.9 8.7 15.1 5.1 31 27 A K H X S+ 0 0 68 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.940 110.0 49.4 -59.1 -44.6 5.7 15.0 2.7 32 28 A G H X S+ 0 0 4 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.911 110.7 50.1 -58.7 -42.6 3.4 15.0 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 5,-0.4 0.924 110.9 48.3 -63.6 -46.7 5.4 18.0 7.2 34 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.3 1,-0.2 -1,-0.2 0.918 105.1 60.5 -56.6 -45.5 5.1 20.0 3.9 35 31 A E H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.608 82.3 79.8 -68.3 -7.5 1.4 19.2 3.9 36 32 A K T << S- 0 0 71 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.685 104.1-126.1 -65.8 -19.4 0.9 21.0 7.2 37 33 A G < + 0 0 68 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.299 68.2 121.3 99.4 -13.9 1.0 24.2 5.1 38 34 A E - 0 0 132 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.537 70.0-100.8 -81.9 151.8 3.8 26.1 6.9 39 35 A E - 0 0 110 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.241 40.4-115.3 -61.5 158.2 7.0 27.2 5.1 40 36 A L - 0 0 9 65,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.849 18.7-130.0-100.2 140.8 10.1 25.0 5.7 41 37 A S > - 0 0 53 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.231 36.8 -96.0 -73.3 172.6 13.3 26.1 7.4 42 38 A X H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.939 126.6 47.3 -58.2 -46.1 16.7 25.5 5.8 43 39 A E H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 112.7 49.7 -63.7 -40.7 17.3 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 0.895 107.5 53.3 -68.4 -37.7 13.8 21.0 6.9 45 41 A R H X S+ 0 0 23 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.925 109.2 50.7 -60.7 -40.6 14.3 21.8 3.1 46 42 A N H X S+ 0 0 68 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.896 108.3 51.3 -64.8 -38.8 17.5 19.7 3.3 47 43 A L H X S+ 0 0 11 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.905 110.1 49.9 -63.1 -41.6 15.6 16.8 4.9 48 44 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.932 114.2 45.1 -59.5 -49.2 13.0 17.0 2.2 49 45 A S H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.925 112.9 48.8 -65.1 -44.9 15.7 16.9 -0.6 50 46 A V H X S+ 0 0 41 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.915 111.0 51.6 -61.8 -42.1 17.8 14.2 1.0 51 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -24,-0.3 0.973 116.6 37.4 -61.0 -54.5 14.7 11.9 1.5 52 48 A Y H X S+ 0 0 14 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.870 112.4 57.6 -71.9 -31.0 13.4 12.2 -2.1 53 49 A K H X S+ 0 0 113 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.905 110.5 44.2 -64.5 -39.4 16.9 12.2 -3.7 54 50 A N H X S+ 0 0 64 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.925 115.0 48.8 -74.6 -37.7 17.6 8.8 -2.1 55 51 A V H X S+ 0 0 20 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.968 118.2 38.9 -64.4 -53.7 14.2 7.4 -3.0 56 52 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.871 110.9 60.3 -69.8 -26.4 14.4 8.5 -6.7 57 53 A G H X S+ 0 0 27 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.927 105.1 48.2 -68.6 -36.3 18.1 7.6 -6.8 58 54 A G H X S+ 0 0 46 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.904 113.7 48.0 -65.1 -41.2 17.3 3.9 -6.0 59 55 A Q H X S+ 0 0 29 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.904 111.3 49.3 -67.1 -42.9 14.5 4.0 -8.7 60 56 A R H X S+ 0 0 44 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.905 110.8 50.4 -63.9 -41.9 16.8 5.5 -11.3 61 57 A A H X S+ 0 0 57 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.928 113.6 45.2 -62.1 -43.5 19.5 3.0 -10.6 62 58 A A H X S+ 0 0 40 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.917 111.9 52.5 -66.2 -42.5 17.0 0.1 -10.9 63 59 A W H X S+ 0 0 39 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.900 108.1 51.1 -61.3 -40.4 15.5 1.6 -14.1 64 60 A R H X S+ 0 0 120 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.913 110.3 48.2 -68.4 -36.8 18.9 1.9 -15.7 65 61 A V H X S+ 0 0 86 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.949 116.2 44.4 -64.6 -46.5 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 0.914 112.0 51.0 -66.6 -39.9 16.3 -2.9 -16.4 67 63 A S H X S+ 0 0 22 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.902 109.7 51.7 -67.3 -37.8 16.5 -0.6 -19.5 68 64 A S H X S+ 0 0 61 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.912 111.0 46.3 -64.8 -42.7 20.0 -2.0 -20.2 69 65 A I H X S+ 0 0 78 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 113.6 50.8 -64.5 -42.3 18.7 -5.6 -20.0 70 66 A E H X S+ 0 0 14 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.941 108.7 49.7 -62.3 -41.9 15.7 -4.6 -22.2 71 67 A Q H < S+ 0 0 124 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.908 111.8 49.1 -67.8 -39.6 17.9 -3.0 -24.9 72 68 A K H < S+ 0 0 174 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.886 108.6 53.5 -65.5 -35.1 20.1 -6.2 -25.0 73 69 A S H < 0 0 79 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.813 360.0 360.0 -64.2 -24.9 16.9 -8.4 -25.3 74 70 A N < 0 0 148 -4,-1.4 -3,-0.0 -3,-0.3 -4,-0.0 -0.083 360.0 360.0 -92.8 360.0 15.8 -6.2 -28.3 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 0 104 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-177.9 8.6 -12.4 -23.8 77 79 A P > + 0 0 54 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.462 360.0 97.4 -80.8 -4.7 7.1 -9.2 -22.4 78 80 A E H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 80.5 48.2 -67.9 -38.8 8.4 -9.6 -18.8 79 81 A V H > S+ 0 0 43 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.947 116.5 44.2 -65.7 -44.7 11.5 -7.3 -19.0 80 82 A R H > S+ 0 0 105 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.936 113.7 51.5 -64.8 -41.7 9.5 -4.5 -20.6 81 83 A E H X S+ 0 0 98 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.929 113.9 42.7 -61.1 -44.5 6.6 -5.0 -18.1 82 84 A Y H X S+ 0 0 117 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.919 113.1 51.3 -73.6 -38.5 8.9 -4.8 -15.1 83 85 A R H X S+ 0 0 35 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.922 111.6 50.2 -59.5 -40.6 10.9 -1.8 -16.5 84 86 A E H X S+ 0 0 70 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.881 108.0 52.2 -64.6 -36.0 7.5 -0.1 -17.1 85 87 A K H X S+ 0 0 118 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.936 113.1 43.8 -64.9 -50.6 6.4 -0.9 -13.5 86 88 A V H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 113.8 52.2 -60.4 -41.6 9.6 0.7 -12.1 87 89 A E H X S+ 0 0 30 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.905 108.6 49.5 -61.0 -42.8 9.3 3.6 -14.5 88 90 A T H X S+ 0 0 86 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.897 111.6 48.6 -67.6 -37.6 5.7 4.3 -13.4 89 91 A E H X S+ 0 0 101 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.915 111.8 49.6 -70.8 -39.5 6.7 4.3 -9.8 90 92 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.917 111.3 49.9 -57.6 -51.5 9.7 6.7 -10.5 91 93 A Q H X S+ 0 0 59 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.895 108.2 53.5 -55.7 -39.3 7.3 9.0 -12.4 92 94 A G H X S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.900 107.8 48.8 -68.2 -36.5 4.9 8.9 -9.5 93 95 A V H X S+ 0 0 25 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.934 112.9 48.9 -66.1 -45.4 7.6 10.0 -7.0 94 96 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.922 110.8 50.1 -60.6 -43.0 8.6 12.8 -9.4 95 97 A D H X S+ 0 0 95 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.867 109.9 51.9 -59.5 -37.9 5.0 13.8 -9.7 96 98 A T H X S+ 0 0 52 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.952 112.3 44.0 -64.1 -48.6 4.7 13.8 -5.9 97 99 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.936 114.6 49.0 -62.8 -49.2 7.7 16.1 -5.4 98 100 A L H X S+ 0 0 18 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.884 109.6 54.2 -59.5 -34.6 6.6 18.4 -8.2 99 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.903 107.3 49.2 -68.3 -38.6 3.1 18.5 -6.6 100 102 A L H <>S+ 0 0 10 -4,-2.1 5,-1.9 2,-0.2 -1,-0.2 0.903 111.6 49.6 -65.2 -39.4 4.6 19.6 -3.3 101 103 A L H <>S+ 0 0 2 -4,-2.4 5,-2.6 1,-0.2 6,-0.5 0.896 116.6 42.0 -66.3 -37.3 6.6 22.3 -5.0 102 104 A D H <5S+ 0 0 99 -4,-2.3 2,-0.2 1,-0.3 -1,-0.2 0.699 105.8 67.9 -80.6 -21.3 3.5 23.5 -6.8 103 105 A S T <5S- 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.651 132.0 -55.3-139.2 77.4 1.1 23.2 -3.9 104 106 A H T >5S+ 0 0 109 -3,-0.4 4,-1.4 -2,-0.2 -3,-0.2 -0.730 110.4 95.7-145.5 36.7 2.4 25.5 -2.4 105 107 A L H >4 S- 0 0 126 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.674 82.5-123.6 -82.4 149.5 13.8 34.6 0.2 112 114 A A H > S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.912 108.0 55.7 -61.5 -38.2 16.4 33.7 -2.4 113 115 A E H > S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.916 115.4 37.2 -65.3 -36.6 17.7 30.7 -0.4 114 116 A S H > S+ 0 0 9 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 118.7 47.4 -77.7 -45.5 14.3 29.1 -0.3 115 117 A R H X S+ 0 0 63 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.937 114.3 46.2 -66.2 -40.2 13.1 30.0 -3.8 116 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.911 112.0 53.0 -63.9 -45.0 16.3 29.0 -5.5 117 119 A F H X S+ 0 0 15 -4,-1.4 4,-2.2 -5,-0.4 -2,-0.2 0.931 112.9 43.0 -56.4 -48.6 16.3 25.7 -3.6 118 120 A Y H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.880 113.5 49.9 -70.3 -36.0 12.8 24.9 -4.6 119 121 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.885 109.3 52.7 -71.6 -34.6 13.2 25.9 -8.3 120 122 A K H X S+ 0 0 36 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.933 109.6 49.6 -60.1 -45.0 16.4 23.8 -8.4 121 123 A M H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.909 108.4 53.1 -60.6 -41.7 14.4 20.8 -7.1 122 124 A K H X S+ 0 0 63 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.939 110.8 46.5 -59.3 -44.7 11.7 21.5 -9.7 123 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 112.8 50.9 -60.8 -44.0 14.4 21.4 -12.5 124 126 A D H X S+ 0 0 7 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.904 111.3 45.7 -63.0 -46.8 15.9 18.2 -11.0 125 127 A Y H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.847 113.3 48.4 -74.6 -31.0 12.6 16.3 -10.8 126 128 A Y H X S+ 0 0 58 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.885 110.2 55.3 -66.5 -36.0 11.6 17.3 -14.3 127 129 A R H X S+ 0 0 10 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.907 106.6 48.7 -60.1 -43.2 15.1 16.2 -15.3 128 130 A Y H X S+ 0 0 7 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.888 111.1 50.7 -66.8 -39.2 14.5 12.7 -13.8 129 131 A L H >X S+ 0 0 13 -4,-1.9 3,-1.0 1,-0.2 4,-0.8 0.882 108.5 53.5 -58.7 -39.8 11.1 12.6 -15.7 130 132 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.853 97.2 64.9 -69.0 -28.7 13.0 13.5 -18.9 131 133 A E H 3< S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.774 114.3 31.5 -62.4 -28.0 15.5 10.6 -18.4 132 134 A V H << S+ 0 0 9 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.405 102.2 97.7-110.5 2.5 12.7 8.1 -18.9 133 135 A A << - 0 0 12 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.0 -0.451 54.2-158.2 -84.4 162.0 10.5 10.1 -21.4 134 136 A T >> - 0 0 112 -2,-0.1 4,-1.4 0, 0.0 3,-0.5 -0.913 43.8 -12.5-131.5 164.8 10.5 9.7 -25.1 135 137 A G H 3> S- 0 0 50 -2,-0.3 4,-0.9 1,-0.2 -2,-0.0 -0.098 114.9 -15.9 64.8-144.9 9.5 11.7 -28.2 136 138 A D H >> S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.861 130.8 60.3 -69.3 -35.7 7.5 14.9 -28.0 137 139 A D H X> S+ 0 0 85 -3,-0.5 4,-2.0 1,-0.3 3,-0.6 0.964 102.4 57.5 -60.4 -38.7 6.2 14.5 -24.6 138 140 A K H 3X S+ 0 0 55 -4,-1.4 4,-2.7 1,-0.3 -1,-0.3 0.771 98.5 60.3 -49.4 -45.6 9.9 14.5 -23.7 139 141 A K H - 0 0 64 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.358 38.8-106.7 -70.4 161.2 27.5 35.3 -3.9 162 164 A P T 3 S+ 0 0 32 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.633 118.4 53.6 -66.8 -15.8 29.2 33.0 -6.4 163 165 A T T 3 S+ 0 0 4 35,-0.1 55,-0.1 39,-0.1 36,-0.1 0.422 74.3 126.6 -95.0 -1.4 30.4 30.6 -3.6 164 166 A N <> - 0 0 19 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 -0.364 61.4-136.6 -60.6 129.6 27.0 30.1 -2.1 165 167 A P H > S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.820 102.4 51.1 -63.5 -31.0 26.5 26.3 -1.9 166 168 A I H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 112.0 47.6 -71.0 -41.0 23.0 26.3 -3.2 167 169 A R H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 114.3 48.5 -60.5 -40.7 24.0 28.5 -6.2 168 170 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.910 112.0 47.0 -66.2 -47.2 26.9 26.1 -6.8 169 171 A G H X S+ 0 0 12 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.878 110.7 52.6 -65.9 -33.3 24.8 23.0 -6.6 170 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.932 111.3 46.8 -60.7 -52.0 22.2 24.6 -8.9 171 173 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.911 111.4 52.0 -62.7 -39.9 24.9 25.4 -11.5 172 174 A L H X S+ 0 0 21 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.956 114.4 42.4 -57.6 -50.3 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 0.892 112.9 51.2 -72.4 -33.2 22.9 20.2 -11.8 174 176 A F H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.902 109.2 52.7 -69.1 -34.9 22.0 22.6 -14.6 175 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.926 109.3 49.1 -62.9 -42.4 25.4 21.7 -16.3 176 178 A V H X>S+ 0 0 19 -4,-2.2 4,-3.2 2,-0.2 5,-0.5 0.907 108.7 53.7 -63.2 -42.7 24.5 18.0 -16.0 177 179 A F H X>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 4,-2.1 0.949 110.1 47.3 -52.2 -49.8 21.0 18.8 -17.5 178 180 A H H <5S+ 0 0 19 -4,-2.5 6,-3.2 3,-0.2 -2,-0.2 0.916 118.6 40.3 -64.0 -41.7 22.8 20.5 -20.5 179 181 A Y H <5S+ 0 0 89 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.931 128.4 26.1 -73.1 -44.5 25.2 17.6 -21.0 180 182 A E H <5S+ 0 0 103 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.710 134.1 22.9 -95.4 -26.9 23.0 14.5 -20.4 181 183 A I T < + 0 0 46 -6,-3.2 4,-2.1 -7,-0.2 3,-0.2 -0.559 20.3 158.8-129.8 62.6 24.4 20.6 -25.2 185 187 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 75.7 54.7 -61.6 -34.5 27.8 19.6 -24.0 186 188 A E H > S+ 0 0 166 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 108.9 47.8 -66.1 -38.6 29.4 22.9 -24.9 187 189 A E H > S+ 0 0 105 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.904 112.2 51.2 -63.7 -40.4 26.8 24.8 -22.7 188 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 112.8 44.7 -62.0 -47.2 27.5 22.3 -19.9 189 191 A I H X S+ 0 0 44 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.935 114.0 48.8 -65.6 -43.1 31.2 22.8 -20.1 190 192 A S H X S+ 0 0 67 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.923 113.0 47.9 -64.9 -43.3 30.9 26.6 -20.3 191 193 A L H X S+ 0 0 21 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.947 113.9 46.0 -64.6 -45.7 28.5 26.8 -17.4 192 194 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.926 115.3 46.7 -64.8 -39.2 30.7 24.5 -15.1 193 195 A K H X S+ 0 0 110 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.955 114.3 45.4 -69.1 -44.7 33.9 26.4 -16.0 194 196 A T H X S+ 0 0 57 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.917 114.9 49.6 -65.2 -41.1 32.4 29.9 -15.5 195 197 A T H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.951 112.8 46.6 -63.8 -44.6 30.8 28.8 -12.2 196 198 A F H X S+ 0 0 17 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.946 114.6 46.6 -61.1 -46.4 34.1 27.2 -11.0 197 199 A D H X S+ 0 0 72 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.893 111.8 49.3 -70.0 -38.3 36.1 30.3 -11.9 198 200 A E H X S+ 0 0 90 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.887 113.6 48.0 -70.9 -33.8 33.7 32.8 -10.4 199 201 A A H >X S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.3 4,-0.9 0.936 106.2 56.6 -70.3 -40.9 33.6 30.8 -7.1 200 202 A M H >< S+ 0 0 101 -4,-2.6 3,-1.0 1,-0.3 4,-0.3 0.911 105.6 52.3 -54.8 -43.5 37.4 30.5 -7.0 201 203 A A H 3< S+ 0 0 72 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.613 111.3 46.6 -66.9 -16.1 37.7 34.3 -7.1 202 204 A D H X< S+ 0 0 28 -3,-1.5 3,-1.8 -4,-0.6 -1,-0.2 0.420 83.1 93.6-105.3 -6.1 35.2 34.7 -4.2 203 205 A L G X< S+ 0 0 13 -3,-1.0 3,-2.0 -4,-0.9 -2,-0.1 0.819 72.8 70.9 -61.7 -27.1 36.8 32.0 -1.8 204 206 A H G 3 S+ 0 0 160 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.708 92.0 60.2 -63.7 -16.4 39.0 34.7 -0.1 205 207 A T G < S+ 0 0 81 -3,-1.8 -1,-0.3 2,-0.0 2,-0.3 0.512 92.0 94.3 -83.1 -8.3 35.8 36.1 1.5 206 208 A L S < S- 0 0 46 -3,-2.0 -3,-0.0 -4,-0.2 2,-0.0 -0.584 70.1-122.4 -98.6 149.4 34.9 32.9 3.3 207 209 A S > - 0 0 70 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.235 43.1 -97.7 -63.1 163.9 35.4 31.4 6.8 208 210 A E H > S+ 0 0 165 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.917 125.8 45.4 -52.3 -45.6 37.2 28.0 7.1 209 211 A D H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 113.8 46.8 -74.9 -38.0 33.9 26.2 7.4 210 212 A S H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 110.0 56.0 -65.8 -38.3 32.2 28.1 4.4 211 213 A Y H X S+ 0 0 117 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.918 107.5 48.2 -61.0 -43.6 35.4 27.5 2.4 212 214 A K H X S+ 0 0 139 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.925 111.8 49.5 -59.3 -45.9 35.1 23.7 3.0 213 215 A D H X S+ 0 0 79 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.942 117.0 40.7 -59.2 -49.0 31.3 23.7 2.0 214 216 A S H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 3,-0.3 0.926 113.0 52.1 -72.2 -40.6 32.0 25.7 -1.3 215 217 A T H X S+ 0 0 43 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.811 102.6 61.4 -68.9 -30.4 35.2 23.9 -2.3 216 218 A L H X S+ 0 0 102 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.913 110.0 40.2 -55.6 -47.6 33.4 20.5 -1.9 217 219 A I H X S+ 0 0 26 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.888 110.7 58.4 -73.8 -36.3 30.9 21.5 -4.6 218 220 A M H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.883 101.7 55.3 -56.1 -38.3 33.7 23.1 -6.7 219 221 A Q H X S+ 0 0 90 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.890 104.3 53.5 -67.7 -32.0 35.4 19.8 -6.8 220 222 A L H X S+ 0 0 70 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.896 109.3 49.4 -65.0 -41.7 32.2 18.1 -8.2 221 223 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.946 112.6 46.7 -58.6 -43.7 32.2 20.8 -11.0 222 224 A R H X S+ 0 0 119 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.904 108.3 56.4 -68.2 -34.6 35.9 20.1 -11.7 223 225 A D H X S+ 0 0 79 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.898 110.7 44.7 -63.4 -41.1 35.2 16.2 -11.7 224 226 A N H X S+ 0 0 34 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.925 109.2 54.8 -69.9 -43.7 32.6 16.7 -14.4 225 227 A L H X S+ 0 0 27 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.926 109.9 48.9 -54.7 -37.0 34.8 19.0 -16.4 226 228 A T H < S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.1 47.2 -64.7 -41.9 37.4 16.2 -16.3 227 229 A L H < S+ 0 0 129 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.864 118.3 42.4 -64.5 -36.0 34.9 13.6 -17.4 228 230 A W H < 0 0 22 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.621 360.0 360.0 -95.5 -12.2 33.6 16.0 -20.3 229 231 A T < 0 0 139 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.212 360.0 360.0-121.2 360.0 36.9 17.3 -21.7