==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 12-DEC-06 2O8P . COMPND 2 MOLECULE: 14-3-3 DOMAIN CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR A.DONG,J.LEW,G.WASNEY,L.LIN,A.HASSANALI,Y.ZHAO,M.VEDADI, . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 85.5 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 0 0 0 0 0 0 0 1 2 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 2 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 8 A X 0 0 162 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.5 40.0 27.6 0.6 2 9 A D > - 0 0 106 1,-0.0 4,-2.5 0, 0.0 5,-0.2 -0.303 360.0 -86.5 -99.0-177.4 42.7 26.1 2.9 3 10 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 125.2 55.7 -63.0 -39.8 43.3 22.5 3.7 4 11 A R H > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 111.2 43.0 -60.3 -46.9 40.9 22.5 6.7 5 12 A L H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 111.3 55.9 -63.6 -42.2 38.0 23.7 4.5 6 13 A L H X S+ 0 0 64 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.931 106.0 51.2 -54.3 -45.2 38.9 21.3 1.7 7 14 A Q H X S+ 0 0 20 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.838 105.9 53.9 -66.1 -32.1 38.7 18.4 4.1 8 15 A K H X S+ 0 0 22 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.937 112.9 44.9 -60.5 -50.1 35.2 19.4 5.3 9 16 A Y H X S+ 0 0 130 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.935 113.9 48.0 -60.7 -44.7 34.2 19.4 1.6 10 17 A R H X S+ 0 0 91 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.932 110.3 52.7 -63.6 -42.7 35.9 16.0 0.9 11 18 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.907 111.7 46.1 -58.9 -45.6 34.4 14.5 4.0 12 19 A Q H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.937 112.6 48.9 -60.3 -48.4 30.9 15.6 2.9 13 20 A V H X S+ 0 0 86 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 111.1 49.7 -63.1 -42.2 31.4 14.4 -0.7 14 21 A F H <>S+ 0 0 39 -4,-2.7 5,-2.5 2,-0.2 4,-0.2 0.878 109.8 52.7 -61.4 -37.8 32.7 10.9 0.5 15 22 A E H ><5S+ 0 0 34 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.938 108.6 49.6 -61.7 -45.8 29.6 10.7 2.8 16 23 A W H 3<5S+ 0 0 191 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.885 112.7 47.1 -61.4 -39.0 27.4 11.4 -0.2 17 24 A G T 3<5S- 0 0 66 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.402 114.1-119.1 -80.1 2.6 29.2 8.7 -2.3 18 25 A G T < 5 + 0 0 38 -3,-1.4 2,-1.1 -4,-0.2 -3,-0.2 0.688 68.5 139.1 66.2 22.1 29.0 6.2 0.7 19 26 A C >< + 0 0 48 -5,-2.5 4,-2.1 1,-0.2 3,-0.2 -0.680 20.1 168.8 -97.3 79.5 32.7 5.9 1.0 20 27 A F H > S+ 0 0 25 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.755 71.2 56.1 -73.6 -25.4 33.0 5.9 4.8 21 28 A D H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 111.3 43.8 -70.5 -41.3 36.7 4.9 5.0 22 29 A K H > S+ 0 0 66 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.844 111.9 55.1 -66.4 -36.6 37.7 7.9 2.7 23 30 A X H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.929 107.1 50.1 -60.8 -44.4 35.4 10.1 4.8 24 31 A F H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.890 106.9 54.4 -64.8 -38.3 37.2 8.9 7.9 25 32 A E H X S+ 0 0 105 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.907 109.2 47.9 -60.0 -41.9 40.6 9.8 6.4 26 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.913 111.7 50.8 -64.1 -40.6 39.4 13.3 5.6 27 34 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.895 104.9 56.1 -65.5 -39.9 38.1 13.5 9.3 28 35 A K H X S+ 0 0 63 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.888 108.3 48.6 -56.2 -41.3 41.5 12.4 10.6 29 36 A S H X S+ 0 0 22 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.935 110.0 51.4 -65.7 -44.2 43.0 15.3 8.7 30 37 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.909 110.4 49.5 -53.7 -46.1 40.4 17.7 10.2 31 38 A I H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.919 112.5 46.5 -59.7 -50.2 41.2 16.5 13.7 32 39 A Y H X S+ 0 0 125 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.929 114.8 47.3 -59.0 -46.5 45.0 16.9 13.1 33 40 A L H X S+ 0 0 21 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.919 113.5 46.3 -64.8 -46.4 44.5 20.5 11.6 34 41 A S H X>S+ 0 0 2 -4,-2.7 5,-2.3 -5,-0.2 4,-0.5 0.907 115.4 47.7 -61.5 -43.0 42.1 21.7 14.4 35 42 A E H ><5S+ 0 0 76 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.933 110.9 51.6 -63.4 -46.3 44.5 20.2 17.1 36 43 A F H 3<5S+ 0 0 136 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.883 117.5 37.3 -58.7 -43.5 47.5 21.8 15.4 37 44 A E H 3<5S- 0 0 130 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.415 104.6-127.6 -88.1 -0.8 46.0 25.3 15.3 38 45 A N T <<5 + 0 0 131 -3,-1.0 2,-0.5 -4,-0.5 -3,-0.2 0.908 60.8 145.9 49.0 49.4 44.2 24.9 18.7 39 46 A S < - 0 0 48 -5,-2.3 71,-0.2 -6,-0.2 -1,-0.2 -0.958 49.4-120.8-125.2 113.4 41.0 25.9 16.9 40 47 A E - 0 0 49 -2,-0.5 71,-0.1 1,-0.1 69,-0.0 -0.085 31.5-103.1 -52.5 146.3 37.6 24.3 18.0 41 48 A F - 0 0 8 69,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.343 32.7-129.9 -58.1 146.8 35.5 22.4 15.4 42 49 A D > - 0 0 64 1,-0.0 4,-2.3 -2,-0.0 5,-0.2 -0.440 32.2 -96.5 -86.6 174.8 32.5 24.1 14.0 43 50 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.821 123.6 54.2 -68.6 -27.4 29.1 22.4 14.0 44 51 A E H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 110.2 47.9 -69.7 -41.0 29.4 21.1 10.4 45 52 A E H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.893 111.9 49.7 -63.9 -43.4 32.7 19.4 11.3 46 53 A R H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.895 110.0 51.2 -61.2 -42.2 31.1 18.0 14.5 47 54 A H H X S+ 0 0 111 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.897 109.2 49.6 -63.9 -40.9 28.2 16.6 12.5 48 55 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.902 108.9 54.4 -65.1 -36.2 30.4 15.0 9.9 49 56 A L H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.935 112.0 41.9 -63.8 -46.1 32.4 13.3 12.8 50 57 A T H X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.865 111.9 55.7 -74.7 -31.8 29.3 11.8 14.3 51 58 A L H X S+ 0 0 30 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.887 102.3 58.8 -59.7 -39.9 27.9 10.8 10.9 52 59 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.933 109.5 39.9 -57.7 -53.2 31.1 8.9 10.2 53 60 A I H X S+ 0 0 13 -4,-1.4 4,-2.6 2,-0.2 5,-0.3 0.927 114.0 54.8 -65.3 -42.4 30.9 6.5 13.2 54 61 A K H X S+ 0 0 134 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.937 113.8 42.3 -52.4 -50.2 27.1 6.1 12.7 55 62 A H H X S+ 0 0 40 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.875 112.3 51.4 -68.1 -42.8 27.7 5.0 9.1 56 63 A K H X S+ 0 0 40 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.916 114.0 44.8 -61.6 -43.9 30.7 2.8 9.8 57 64 A I H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.921 112.4 51.1 -66.5 -46.2 28.8 0.9 12.6 58 65 A S H X S+ 0 0 59 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.908 111.5 48.5 -57.6 -44.5 25.6 0.6 10.4 59 66 A D H X S+ 0 0 68 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.931 109.4 51.9 -59.5 -47.0 27.6 -0.8 7.6 60 67 A Y H X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.936 110.9 48.4 -55.3 -48.7 29.4 -3.3 9.8 61 68 A R H X S+ 0 0 97 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.915 114.2 46.0 -59.7 -45.6 26.0 -4.5 11.1 62 69 A T H X S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.946 114.1 46.2 -62.4 -51.3 24.5 -4.8 7.6 63 70 A X H X S+ 0 0 65 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.899 115.0 47.7 -61.1 -44.4 27.5 -6.7 6.1 64 71 A T H X S+ 0 0 15 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.963 113.2 47.0 -60.7 -54.4 27.8 -9.1 9.1 65 72 A S H X S+ 0 0 59 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.860 110.5 53.7 -59.9 -36.6 24.0 -9.9 9.1 66 73 A Q H X S+ 0 0 115 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.936 112.2 43.5 -62.8 -45.4 24.0 -10.4 5.3 67 74 A V H X S+ 0 0 32 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.937 114.8 48.7 -69.0 -44.0 26.9 -12.9 5.5 68 75 A L H X S+ 0 0 69 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.889 109.3 53.6 -63.7 -41.5 25.4 -14.8 8.5 69 76 A Q H X S+ 0 0 112 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.919 113.8 41.6 -55.9 -46.6 22.0 -15.0 6.9 70 77 A E H >X S+ 0 0 104 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.887 108.7 60.2 -70.1 -40.9 23.5 -16.6 3.8 71 78 A Q H >< S+ 0 0 26 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.925 103.8 50.9 -50.9 -49.9 25.8 -18.9 5.8 72 79 A T H 3< S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 103.4 58.9 -64.8 -26.3 22.8 -20.5 7.6 73 80 A K H << S+ 0 0 124 -4,-0.8 2,-0.5 -3,-0.7 -1,-0.3 0.520 82.8 95.7 -82.9 -6.4 21.0 -21.3 4.3 74 81 A Q S << S- 0 0 94 -3,-1.5 2,-0.6 -4,-0.5 3,-0.4 -0.747 71.0-143.6 -84.7 122.3 23.9 -23.4 2.9 75 82 A L - 0 0 170 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.775 68.6 -18.5 -88.8 124.9 23.2 -27.0 3.7 76 83 A N S S+ 0 0 137 -2,-0.6 -1,-0.2 1,-0.1 2,-0.2 0.932 84.9 130.9 49.8 62.5 26.2 -29.1 4.6 77 84 A N > + 0 0 67 -3,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.677 23.4 172.8-137.7 87.8 29.2 -27.1 3.3 78 85 A D H > S+ 0 0 110 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.843 77.1 52.1 -65.2 -38.4 31.5 -27.0 6.3 79 86 A E H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 110.6 46.3 -66.6 -45.6 34.4 -25.4 4.3 80 87 A L H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.7 54.3 -64.5 -41.0 32.2 -22.5 3.0 81 88 A V H X S+ 0 0 47 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.909 106.4 52.1 -55.8 -41.4 30.8 -22.0 6.5 82 89 A K H X S+ 0 0 118 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.875 108.4 50.2 -64.9 -37.7 34.4 -21.7 7.8 83 90 A I H X S+ 0 0 101 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.899 110.4 50.4 -64.8 -43.7 35.2 -19.0 5.2 84 91 A C H X S+ 0 0 20 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.937 111.7 48.0 -57.6 -47.6 32.0 -17.1 6.2 85 92 A S H X S+ 0 0 60 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.905 110.6 50.9 -62.4 -42.1 33.0 -17.3 9.9 86 93 A E H X S+ 0 0 138 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.924 112.5 47.0 -60.6 -44.4 36.6 -16.1 9.1 87 94 A Y H X S+ 0 0 108 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.933 110.7 51.0 -63.1 -45.7 35.2 -13.2 7.2 88 95 A V H X S+ 0 0 25 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.891 110.8 50.2 -59.1 -41.1 32.7 -12.3 9.9 89 96 A F H X S+ 0 0 140 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 108.9 51.2 -63.8 -44.7 35.5 -12.4 12.5 90 97 A S H X S+ 0 0 48 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 107.3 53.2 -60.5 -41.4 37.7 -10.1 10.3 91 98 A L H X S+ 0 0 16 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.906 110.2 48.3 -60.8 -40.0 34.8 -7.5 10.0 92 99 A R H X S+ 0 0 93 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.894 110.2 51.0 -66.5 -41.4 34.5 -7.5 13.8 93 100 A K H X S+ 0 0 139 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 111.3 49.3 -62.8 -39.3 38.3 -7.0 14.2 94 101 A D H X S+ 0 0 93 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.855 109.9 49.4 -69.3 -39.3 38.2 -4.1 11.7 95 102 A I H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.882 110.6 51.5 -69.1 -36.1 35.2 -2.4 13.5 96 103 A K H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 110.3 48.6 -61.9 -45.6 37.1 -2.7 16.7 97 104 A A H X S+ 0 0 49 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 110.6 51.8 -57.7 -45.7 40.2 -1.1 15.1 98 105 A F H X S+ 0 0 13 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.937 107.6 51.2 -56.1 -50.1 38.0 1.6 13.7 99 106 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.896 110.4 50.1 -57.1 -39.7 36.5 2.3 17.2 100 107 A Q H X S+ 0 0 118 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.915 115.0 42.2 -63.8 -44.9 40.1 2.5 18.6 101 108 A S H X S+ 0 0 39 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.896 114.6 50.5 -69.8 -41.9 41.2 5.0 15.9 102 109 A F H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.925 109.8 50.8 -65.1 -41.1 38.1 7.0 16.1 103 110 A E H X S+ 0 0 21 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.900 105.6 55.9 -64.8 -39.4 38.4 7.3 19.9 104 111 A D H X S+ 0 0 85 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.914 110.5 46.9 -51.5 -49.9 42.0 8.5 19.5 105 112 A C H >< S+ 0 0 1 -4,-2.0 3,-1.0 2,-0.2 -2,-0.2 0.914 110.5 50.3 -58.7 -48.0 40.7 11.3 17.3 106 113 A V H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.879 105.1 57.3 -63.6 -38.9 37.8 12.2 19.6 107 114 A D H 3< S+ 0 0 72 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.748 105.0 54.1 -58.5 -26.2 40.3 12.4 22.6 108 115 A R T << S+ 0 0 63 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.337 77.9 128.4 -94.8 5.4 42.2 15.0 20.5 109 116 A L < - 0 0 12 -3,-1.7 2,-0.3 -4,-0.1 -69,-0.1 -0.390 64.9-116.4 -60.0 135.1 39.2 17.3 20.0 110 117 A V - 0 0 16 -71,-0.2 2,-0.5 -79,-0.1 -69,-0.4 -0.562 28.8-154.1 -72.3 136.1 40.0 20.9 20.9 111 118 A E + 0 0 97 -2,-0.3 3,-0.1 1,-0.1 -71,-0.0 -0.966 42.8 122.4-116.2 126.0 37.8 22.2 23.8 112 119 A K + 0 0 167 -2,-0.5 -1,-0.1 1,-0.4 -73,-0.0 0.363 61.7 60.5-136.6 -59.6 37.0 25.9 24.4 113 120 A S S > S- 0 0 38 1,-0.1 4,-1.6 4,-0.0 -1,-0.4 -0.265 85.9-115.1 -69.7 158.6 33.3 26.5 24.5 114 121 A F H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.918 118.6 53.0 -57.3 -46.1 31.1 24.8 27.0 115 122 A F H > S+ 0 0 27 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.911 103.8 55.9 -59.5 -41.4 29.4 22.8 24.2 116 123 A S H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.862 108.9 48.0 -60.4 -35.2 32.8 21.6 22.9 117 124 A K H X S+ 0 0 90 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.916 116.0 42.7 -68.5 -45.2 33.5 20.1 26.4 118 125 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.902 111.6 55.8 -65.1 -42.7 30.1 18.5 26.7 119 126 A F H X S+ 0 0 7 -4,-3.5 4,-2.8 1,-0.2 5,-0.3 0.921 105.5 51.5 -57.1 -48.1 30.3 17.3 23.0 120 127 A K H X S+ 0 0 26 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.916 113.8 43.9 -57.7 -44.2 33.6 15.5 23.6 121 128 A L H X S+ 0 0 38 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.881 112.6 52.2 -68.9 -39.7 32.2 13.7 26.6 122 129 A K H X S+ 0 0 31 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.933 112.9 44.1 -59.9 -47.8 28.9 12.8 24.8 123 130 A V H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.916 112.3 52.5 -67.5 -41.4 30.8 11.3 21.8 124 131 A K H X S+ 0 0 36 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.874 108.8 51.2 -57.3 -40.8 33.2 9.5 24.2 125 132 A S H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.953 109.8 49.3 -59.8 -50.7 30.1 8.1 26.0 126 133 A D H X S+ 0 0 41 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.911 111.7 49.1 -55.9 -47.8 28.6 6.9 22.6 127 134 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.916 106.0 57.3 -56.1 -46.0 31.9 5.3 21.7 128 135 A S H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.810 102.3 55.4 -59.4 -31.5 32.0 3.5 25.1 129 136 A R H X S+ 0 0 90 -4,-1.5 4,-1.9 -3,-0.4 -1,-0.2 0.903 111.2 43.1 -69.4 -42.7 28.7 1.9 24.4 130 137 A Y H X S+ 0 0 58 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.928 113.6 51.8 -63.1 -43.1 30.0 0.4 21.2 131 138 A K H <>S+ 0 0 33 -4,-3.0 5,-3.4 1,-0.2 6,-1.1 0.833 107.1 54.6 -63.5 -34.1 33.2 -0.6 22.9 132 139 A L H ><5S+ 0 0 57 -4,-2.0 3,-1.2 4,-0.2 -1,-0.2 0.959 110.7 44.3 -58.4 -55.5 31.2 -2.3 25.7 133 140 A E H 3<5S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 115.6 48.9 -55.5 -39.2 29.4 -4.4 23.0 134 141 A F T 3<5S- 0 0 2 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.226 116.1-105.4 -97.1 14.6 32.6 -5.2 21.2 135 142 A G T < 5S+ 0 0 61 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.745 88.7 113.6 75.0 26.4 34.8 -6.3 24.2 136 143 A L S - 0 0 54 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.407 31.0-114.7 -83.0 163.4 34.1 -2.7 31.0 139 146 A L H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 118.0 55.2 -61.9 -40.5 30.6 -1.7 32.1 140 147 A E H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 108.7 45.7 -57.8 -48.5 32.2 0.3 34.9 141 148 A D H > S+ 0 0 96 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.884 113.9 48.9 -68.4 -37.5 34.4 2.3 32.5 142 149 A S H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.924 111.7 49.2 -64.7 -45.1 31.5 3.0 30.1 143 150 A K H X S+ 0 0 43 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.898 106.7 56.7 -60.9 -43.3 29.2 4.1 33.0 144 151 A K H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.847 105.4 50.1 -57.0 -40.8 31.9 6.5 34.3 145 152 A I H X S+ 0 0 30 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.908 111.0 49.0 -69.5 -38.6 32.1 8.3 31.0 146 153 A H H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.886 111.4 50.5 -64.8 -41.8 28.3 8.8 30.9 147 154 A Q H X S+ 0 0 50 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.888 106.7 54.8 -60.5 -43.7 28.4 10.0 34.6 148 155 A D H X S+ 0 0 83 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.866 110.2 46.0 -57.1 -42.3 31.2 12.5 33.7 149 156 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -28,-0.2 -2,-0.2 0.900 114.1 48.0 -67.2 -42.3 29.0 14.0 30.9 150 157 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.891 110.2 52.2 -66.2 -40.6 26.0 14.1 33.1 151 158 A T H X S+ 0 0 49 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.891 108.5 50.9 -58.0 -46.6 28.0 15.8 36.0 152 159 A L H X S+ 0 0 29 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.922 110.1 49.7 -61.4 -46.1 29.2 18.5 33.6 153 160 A L H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.921 114.7 44.5 -52.7 -50.5 25.7 19.2 32.4 154 161 A C H 3< S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.757 106.2 59.3 -75.0 -27.1 24.4 19.5 36.0 155 162 A E H 3< S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.641 110.6 43.6 -73.0 -14.8 27.4 21.6 37.3 156 163 A H X< + 0 0 62 -3,-0.8 3,-2.4 -4,-0.7 -1,-0.2 -0.359 59.3 153.6-131.9 59.6 26.6 24.4 34.8 157 164 A P G > S+ 0 0 19 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.770 72.7 66.5 -58.6 -28.4 22.8 25.0 34.7 158 165 A D G 3 S+ 0 0 108 1,-0.2 3,-0.2 -3,-0.1 -2,-0.0 0.649 105.0 43.8 -64.9 -17.8 23.4 28.6 33.6 159 166 A K G X S+ 0 0 70 -3,-2.4 3,-2.5 -6,-0.2 -1,-0.2 0.292 76.2 114.3-111.1 8.7 24.8 27.2 30.3 160 167 A I G X + 0 0 1 -3,-1.2 3,-2.1 1,-0.3 -1,-0.1 0.825 69.3 63.9 -50.3 -37.6 22.2 24.5 29.5 161 168 A E G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -4,-0.2 4,-0.1 0.600 89.2 69.0 -67.5 -10.3 20.9 26.3 26.4 162 169 A Q G < S+ 0 0 97 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.539 93.6 71.7 -81.9 -6.6 24.3 25.9 24.8 163 170 A L S < S- 0 0 2 -3,-2.1 2,-0.2 -4,-0.2 -48,-0.0 -0.851 93.1-106.1-111.5 144.6 23.6 22.1 24.6 164 171 A P >> - 0 0 49 0, 0.0 4,-1.3 0, 0.0 3,-0.6 -0.488 25.5-135.4 -65.7 132.7 21.2 20.3 22.3 165 172 A L H 3> S+ 0 0 35 1,-0.2 4,-2.4 -2,-0.2 5,-0.1 0.847 103.2 58.4 -60.4 -34.9 18.1 19.2 24.3 166 173 A G H 3> S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.846 101.7 54.2 -63.3 -34.1 18.2 15.7 22.6 167 174 A F H <> S+ 0 0 52 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.897 109.9 48.4 -63.0 -39.5 21.7 15.1 23.9 168 175 A I H X S+ 0 0 2 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.938 112.8 46.8 -67.2 -46.4 20.5 15.9 27.4 169 176 A Q H X S+ 0 0 90 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.906 112.0 49.7 -63.9 -46.0 17.5 13.5 27.1 170 177 A N H X S+ 0 0 66 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.878 111.9 47.9 -59.2 -43.2 19.5 10.7 25.6 171 178 A L H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.903 114.0 46.7 -65.5 -42.8 22.1 10.9 28.3 172 179 A A H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.955 114.7 48.3 -61.3 -50.7 19.5 11.0 31.1 173 180 A Y H X S+ 0 0 119 -4,-3.2 4,-2.6 1,-0.2 5,-0.4 0.921 114.0 45.8 -54.6 -50.8 17.6 8.1 29.4 174 181 A I H X>S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 5,-1.0 0.938 113.8 47.6 -60.9 -48.3 20.8 6.0 29.0 175 182 A L H <5S+ 0 0 0 -4,-2.5 6,-1.7 -5,-0.2 4,-0.3 0.866 119.7 38.3 -64.2 -36.4 22.1 6.6 32.6 176 183 A S H <5S+ 0 0 25 -4,-2.2 6,-0.7 4,-0.2 -1,-0.2 0.854 126.5 32.5 -84.0 -36.0 18.7 5.8 34.2 177 184 A E H <5S+ 0 0 123 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.738 131.3 26.7 -94.1 -26.6 17.5 2.9 32.0 178 185 A K T <5S+ 0 0 119 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.634 127.0 38.8-113.0 -22.7 20.8 1.2 31.1 179 186 A Y S + 0 0 46 -6,-1.7 4,-2.7 -7,-0.1 5,-0.3 -0.088 19.4 130.1-117.1 33.8 21.0 5.4 37.9 182 189 A K H > S+ 0 0 54 -6,-0.7 4,-2.0 1,-0.2 5,-0.2 0.862 76.3 46.6 -54.9 -39.7 17.2 6.1 37.8 183 190 A K H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 113.3 46.5 -70.4 -46.6 17.3 7.6 41.3 184 191 A Q H > S+ 0 0 53 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.939 115.3 46.8 -60.5 -49.6 20.5 9.8 40.8 185 192 A V H X S+ 0 0 7 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.893 112.0 48.9 -61.6 -45.9 19.2 11.1 37.4 186 193 A F H X S+ 0 0 158 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.917 115.0 46.6 -62.0 -43.4 15.7 11.9 38.7 187 194 A N H X S+ 0 0 101 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 114.0 45.9 -62.1 -49.5 17.2 13.7 41.7 188 195 A X H X S+ 0 0 38 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.885 114.7 47.4 -65.0 -39.6 19.8 15.7 39.7 189 196 A L H X S+ 0 0 24 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.740 106.7 58.2 -74.4 -25.8 17.2 16.7 37.1 190 197 A N H X S+ 0 0 76 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.951 110.7 43.4 -63.8 -48.8 14.8 17.7 39.8 191 198 A S H X S+ 0 0 59 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.879 112.8 50.8 -61.4 -44.7 17.4 20.2 41.1 192 199 A L H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 107.8 55.5 -61.2 -43.2 18.3 21.3 37.5 193 200 A G H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 106.8 49.2 -51.7 -48.8 14.5 21.9 37.0 194 201 A K H X S+ 0 0 116 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.888 108.9 52.6 -61.8 -39.4 14.3 24.2 40.0 195 202 A I H X S+ 0 0 77 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.897 110.9 47.4 -66.2 -37.1 17.3 26.2 38.8 196 203 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.886 106.6 56.8 -71.9 -38.6 15.6 26.7 35.4 197 204 A E H X S+ 0 0 90 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 110.2 46.0 -53.5 -44.0 12.3 27.7 37.1 198 205 A L H X S+ 0 0 90 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.921 108.9 53.8 -65.6 -45.7 14.3 30.5 38.9 199 206 A Q H X S+ 0 0 42 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.905 111.0 48.0 -52.9 -44.8 16.1 31.5 35.6 200 207 A I H >< S+ 0 0 26 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.947 110.6 50.2 -63.0 -49.1 12.6 31.9 34.0 201 208 A K H 3< S+ 0 0 164 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.2 43.7 -52.9 -42.0 11.3 33.9 37.0 202 209 A E H 3< S+ 0 0 147 -4,-2.5 2,-0.7 -5,-0.1 -1,-0.2 0.537 90.5 98.1 -86.8 -8.0 14.3 36.2 36.9 203 210 A Q << - 0 0 53 -3,-1.0 6,-0.1 -4,-0.9 -4,-0.0 -0.748 53.4-167.1 -87.9 114.4 14.4 36.6 33.0 204 211 A E + 0 0 92 -2,-0.7 2,-0.3 4,-0.1 -1,-0.2 0.862 63.4 87.7 -66.1 -40.1 12.6 39.9 32.0 205 212 A N > - 0 0 82 1,-0.1 4,-2.3 2,-0.1 5,-0.1 -0.472 66.2-152.5 -72.8 126.7 12.4 39.1 28.3 206 213 A X H > S+ 0 0 150 -2,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.853 95.8 50.3 -66.4 -39.4 9.3 37.2 27.4 207 214 A D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.3 50.2 -65.2 -43.0 10.8 35.4 24.3 208 215 A R H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.894 106.0 55.8 -62.0 -42.7 13.8 34.4 26.5 209 216 A K H X S+ 0 0 52 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.926 109.4 47.4 -51.5 -48.1 11.4 33.0 29.2 210 217 A A H X S+ 0 0 56 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.872 108.5 54.8 -64.2 -39.5 9.8 30.8 26.5 211 218 A Q H X S+ 0 0 94 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.935 111.1 43.6 -59.8 -47.6 13.2 29.6 25.2 212 219 A I H >X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 3,-0.6 0.875 106.2 63.2 -65.0 -38.7 14.3 28.4 28.7 213 220 A T H 3X S+ 0 0 58 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.840 93.6 62.9 -55.4 -31.6 10.8 26.8 29.1 214 221 A V H 3X S+ 0 0 87 -4,-1.3 4,-2.1 -3,-0.5 -1,-0.2 0.917 108.7 40.9 -60.0 -42.7 11.6 24.5 26.2 215 222 A Y H < S+ 0 0 144 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.923 112.9 55.3 -63.1 -43.6 9.7 21.0 29.7 218 225 A G H 3< S+ 0 0 15 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.829 105.2 53.4 -60.2 -36.5 12.2 18.8 27.9 219 226 A I H 3< 0 0 22 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.751 360.0 360.0 -71.0 -29.3 13.8 17.8 31.1 220 227 A K << 0 0 113 -4,-1.0 -3,-0.0 -3,-0.7 -30,-0.0 -0.126 360.0 360.0 -75.5 360.0 10.6 16.6 32.7