==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, DNA-BINDING PROTEIN 06-NOV-08 3F6N . COMPND 2 MOLECULE: VIRION-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULIFLOWER MOSAIC VIRUS (STRAIN STRAS . AUTHOR F.HOH,M.UZEST,S.BLANC,C.DUMAS . 289 4 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 84.1 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 4 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 N > 0 0 107 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -72.4 -22.8 20.8 31.6 2 4 A L H > + 0 0 46 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.894 360.0 47.2 -68.6 -39.3 -22.8 20.0 27.9 3 5 A N H > S+ 0 0 108 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.840 111.4 53.1 -61.4 -37.2 -21.3 23.5 27.2 4 6 A Q H > S+ 0 0 87 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.932 110.6 45.4 -64.2 -49.6 -18.9 22.6 30.0 5 7 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.961 113.5 50.1 -56.3 -55.4 -17.9 19.4 28.2 6 8 A Q H X S+ 0 0 26 -4,-3.0 4,-2.4 1,-0.2 3,-0.3 0.953 111.2 48.4 -47.8 -61.1 -17.7 21.1 24.9 7 9 A K H X S+ 0 0 149 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.895 114.7 45.1 -46.5 -49.6 -15.4 23.9 26.3 8 10 A E H X S+ 0 0 35 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.852 110.2 54.2 -70.9 -32.2 -13.2 21.3 28.0 9 11 A V H X S+ 0 0 2 -4,-2.9 4,-2.3 -3,-0.3 -1,-0.2 0.894 109.2 49.1 -67.2 -39.1 -13.0 19.1 24.9 10 12 A S H X S+ 0 0 50 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.945 108.4 52.0 -61.7 -50.0 -11.9 22.1 22.8 11 13 A E H X S+ 0 0 82 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.908 110.3 49.8 -56.7 -42.1 -9.2 23.0 25.2 12 14 A I H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.949 110.4 51.1 -56.3 -50.8 -7.9 19.5 25.1 13 15 A L H X S+ 0 0 15 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.867 113.7 41.2 -60.6 -44.5 -7.9 19.5 21.3 14 16 A S H X S+ 0 0 73 -4,-2.7 4,-1.8 2,-0.2 3,-0.5 0.914 114.1 52.8 -71.2 -41.2 -5.9 22.7 20.9 15 17 A D H X S+ 0 0 8 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.860 106.9 55.8 -56.2 -35.5 -3.6 21.7 23.8 16 18 A Q H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.799 102.7 54.5 -70.2 -30.2 -3.1 18.5 21.8 17 19 A K H X S+ 0 0 88 -4,-1.1 4,-2.6 -3,-0.5 -2,-0.2 0.961 110.2 44.6 -65.2 -50.6 -2.1 20.4 18.7 18 20 A S H X S+ 0 0 40 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.850 111.0 54.6 -64.8 -35.7 0.7 22.3 20.5 19 21 A M H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.918 110.1 47.2 -60.4 -44.2 1.9 19.1 22.2 20 22 A K H X S+ 0 0 69 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.933 108.1 56.0 -63.9 -47.2 2.2 17.5 18.8 21 23 A A H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 111.4 42.7 -47.6 -53.7 4.1 20.5 17.4 22 24 A D H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.826 109.2 56.7 -69.5 -34.7 6.7 20.2 20.1 23 25 A I H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.950 107.8 49.0 -61.2 -47.9 7.0 16.4 19.9 24 26 A K H X S+ 0 0 145 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.967 108.9 52.7 -52.0 -58.7 7.8 16.8 16.2 25 27 A A H X S+ 0 0 35 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.838 110.3 49.4 -44.0 -41.1 10.4 19.5 17.1 26 28 A I H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.966 112.1 45.6 -67.4 -51.1 11.9 17.0 19.6 27 29 A L H X S+ 0 0 44 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.851 115.6 49.4 -57.1 -37.8 12.0 14.1 17.0 28 30 A E H X S+ 0 0 119 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.961 111.7 46.8 -63.6 -54.4 13.5 16.5 14.5 29 31 A L H X S+ 0 0 58 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.883 114.7 46.1 -58.8 -44.6 16.2 17.9 16.8 30 32 A L H < S+ 0 0 20 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.896 111.4 51.5 -68.1 -41.9 17.3 14.5 18.0 31 33 A G H < S+ 0 0 55 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.850 106.5 56.4 -59.9 -38.2 17.4 13.0 14.5 32 34 A S H < S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.828 87.3 93.8 -62.2 -39.7 19.5 15.9 13.3 33 35 A Q S < S- 0 0 79 -4,-1.2 3,-0.1 -3,-0.2 -3,-0.0 -0.266 79.1-120.3 -59.3 141.0 22.3 15.4 15.8 34 36 A N - 0 0 49 1,-0.1 149,-0.1 2,-0.1 -1,-0.1 -0.603 41.5 -83.2 -81.9 147.2 25.2 13.2 14.8 35 37 A P > - 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.137 30.8-133.1 -45.8 134.7 26.0 10.0 16.7 36 38 A I H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.961 107.9 53.1 -55.1 -52.8 28.1 10.6 19.8 37 39 A K H > S+ 0 0 94 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.862 110.3 48.3 -49.7 -43.7 30.4 7.7 18.8 38 40 A E H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 112.1 46.4 -66.1 -49.6 31.0 9.3 15.4 39 41 A S H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.953 117.1 46.6 -55.8 -52.0 31.7 12.8 16.7 40 42 A L H X S+ 0 0 6 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.955 108.9 52.9 -51.7 -60.2 34.0 11.3 19.3 41 43 A E H X S+ 0 0 134 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.827 114.9 42.6 -50.3 -38.3 35.8 9.0 16.8 42 44 A T H X S+ 0 0 89 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.902 115.4 45.4 -79.9 -42.0 36.6 12.0 14.5 43 45 A V H X S+ 0 0 21 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.893 113.0 53.5 -66.3 -36.1 37.6 14.5 17.2 44 46 A A H X S+ 0 0 15 -4,-3.4 4,-1.8 -5,-0.3 -1,-0.2 0.833 107.4 51.7 -63.1 -34.8 39.7 11.7 18.8 45 47 A A H X S+ 0 0 50 -4,-1.0 4,-2.6 -5,-0.3 -1,-0.2 0.861 107.8 51.4 -68.5 -38.5 41.3 11.3 15.4 46 48 A K H X S+ 0 0 115 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.852 107.8 52.8 -67.5 -36.8 42.1 15.0 15.2 47 49 A I H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.980 115.1 39.2 -61.7 -56.6 43.8 15.0 18.6 48 50 A V H X S+ 0 0 31 -4,-1.8 4,-3.5 2,-0.2 5,-0.2 0.928 114.9 55.4 -60.0 -45.7 46.1 12.1 17.8 49 51 A N H X S+ 0 0 67 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.950 111.4 41.4 -50.6 -62.3 46.7 13.4 14.2 50 52 A D H X S+ 0 0 51 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.939 117.4 47.2 -53.8 -52.7 47.8 16.9 15.4 51 53 A L H X S+ 0 0 6 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.881 108.1 56.3 -61.0 -39.7 49.9 15.5 18.2 52 54 A T H X S+ 0 0 43 -4,-3.5 4,-3.4 -5,-0.2 5,-0.3 0.927 106.2 51.2 -54.7 -48.3 51.5 12.9 15.9 53 55 A K H X S+ 0 0 128 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.965 111.6 47.2 -50.9 -56.1 52.6 15.7 13.6 54 56 A L H < S+ 0 0 33 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.909 114.5 46.6 -53.6 -49.5 54.2 17.5 16.6 55 57 A I H >< S+ 0 0 17 -4,-3.0 3,-2.2 1,-0.2 -2,-0.2 0.966 115.0 45.1 -57.0 -56.1 55.9 14.3 17.8 56 58 A N H 3< S+ 0 0 92 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.676 99.8 69.7 -66.3 -18.3 57.2 13.4 14.3 57 59 A D T 3< S- 0 0 125 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.605 97.2-147.3 -69.6 -12.6 58.3 17.0 13.8 58 60 A a X + 0 0 18 -3,-2.2 3,-1.1 -4,-0.3 4,-0.3 0.902 24.8 179.4 43.3 68.4 60.9 16.1 16.5 59 61 A P T > S+ 0 0 46 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.785 72.9 57.3 -66.6 -27.1 61.3 19.5 18.2 60 62 A b T 3> S+ 0 0 23 1,-0.2 4,-0.7 2,-0.1 -2,-0.1 0.276 83.8 81.1 -94.0 10.9 63.8 18.2 20.8 61 63 A N H <> S+ 0 0 7 -3,-1.1 4,-2.4 2,-0.1 -1,-0.2 0.812 78.3 67.7 -83.2 -30.6 66.5 16.9 18.4 62 64 A K H <> S+ 0 0 164 -3,-0.5 4,-1.5 -4,-0.3 -1,-0.1 0.857 98.9 49.4 -59.2 -41.6 68.1 20.3 17.6 63 65 A E H > S+ 0 0 63 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.945 113.1 45.8 -66.5 -49.9 69.5 20.9 21.1 64 66 A I H X S+ 0 0 4 -4,-0.7 4,-2.3 1,-0.2 3,-0.3 0.928 109.8 54.0 -55.9 -51.4 71.1 17.4 21.3 65 67 A L H X>S+ 0 0 27 -4,-2.4 4,-3.7 1,-0.2 5,-0.6 0.808 105.4 55.7 -59.0 -31.6 72.6 17.6 17.8 66 68 A E H <5S+ 0 0 150 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.902 107.7 46.8 -64.9 -45.2 74.3 20.9 18.8 67 69 A A H <5S+ 0 0 45 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.886 120.5 40.6 -62.5 -41.1 76.0 19.3 21.8 68 70 A L H <5S- 0 0 51 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.959 111.0-122.6 -68.4 -55.7 77.1 16.4 19.6 69 71 A G T <5 0 0 60 -4,-3.7 -3,-0.2 -5,-0.2 -4,-0.1 0.732 360.0 360.0 101.9 86.1 78.0 18.4 16.5 70 72 A T < 0 0 123 -5,-0.6 -1,-0.1 0, 0.0 217,-0.0 -0.954 360.0 360.0-125.1 360.0 76.0 17.4 13.3 71 !* 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 72 2 B A > 0 0 99 0, 0.0 4,-6.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -10.2 -24.6 4.1 21.6 73 3 B N H > + 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 360.0 36.4 -44.5 -56.5 -23.8 7.8 21.0 74 4 B L H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.909 118.8 52.2 -62.7 -41.6 -23.0 8.2 24.8 75 5 B N H > S+ 0 0 77 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.944 110.5 47.1 -55.2 -49.8 -21.6 4.6 24.7 76 6 B Q H X S+ 0 0 88 -4,-6.0 4,-2.2 1,-0.2 -2,-0.2 0.952 114.4 46.5 -58.3 -52.3 -19.3 5.6 21.7 77 7 B I H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.894 114.3 50.3 -55.3 -42.6 -18.2 8.7 23.5 78 8 B Q H X S+ 0 0 32 -4,-3.1 4,-2.6 -6,-0.2 5,-0.2 0.975 110.5 45.8 -61.0 -60.7 -17.7 6.7 26.7 79 9 B K H X S+ 0 0 146 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.839 116.3 47.8 -52.0 -37.5 -15.6 3.9 25.1 80 10 B E H X S+ 0 0 20 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.884 110.4 48.7 -74.4 -42.5 -13.5 6.5 23.3 81 11 B V H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.869 110.1 54.0 -63.7 -39.4 -12.9 8.8 26.3 82 12 B S H X S+ 0 0 41 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.924 109.2 48.0 -59.2 -45.4 -11.9 5.8 28.3 83 13 B E H X S+ 0 0 83 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.907 107.9 53.8 -64.7 -42.6 -9.3 4.8 25.6 84 14 B I H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.933 109.3 51.2 -52.8 -44.4 -8.0 8.4 25.5 85 15 B L H X S+ 0 0 18 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.855 109.8 47.8 -65.7 -41.6 -7.5 8.0 29.3 86 16 B S H >X S+ 0 0 81 -4,-2.1 4,-1.7 2,-0.2 3,-0.6 0.992 114.7 44.8 -56.1 -64.8 -5.6 4.7 29.1 87 17 B D H 3X S+ 0 0 8 -4,-2.4 4,-1.9 1,-0.3 5,-0.2 0.892 109.0 59.9 -47.0 -46.3 -3.3 6.0 26.4 88 18 B Q H 3X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.3 0.906 103.5 50.4 -46.5 -51.5 -2.9 9.2 28.4 89 19 B K H < S+ 0 0 15 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.881 113.3 58.0 -62.0 -39.5 18.0 13.4 30.2 103 33 B G H 3< S+ 0 0 56 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.868 101.3 54.0 -59.5 -40.8 17.9 14.5 33.8 104 34 B S T 3< S+ 0 0 82 -4,-1.7 -1,-0.3 -3,-0.2 2,-0.2 0.495 86.6 107.4 -77.3 -4.2 20.4 11.9 35.0 105 35 B Q S < S- 0 0 58 -3,-1.3 3,-0.0 -4,-0.4 -3,-0.0 -0.525 72.2-124.5 -71.9 138.2 23.0 13.0 32.4 106 36 B N - 0 0 70 -2,-0.2 2,-0.4 1,-0.1 150,-0.1 -0.534 43.3 -87.6 -70.7 149.6 26.0 15.0 33.6 107 37 B P >> - 0 0 62 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.506 37.4-135.4 -63.2 118.9 26.5 18.3 31.9 108 38 B I H 3> S+ 0 0 10 -2,-0.4 4,-1.5 1,-0.3 5,-0.1 0.812 103.1 57.6 -47.6 -39.5 28.5 17.4 28.8 109 39 B K H 3> S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.932 108.3 45.9 -53.2 -51.9 30.8 20.4 29.4 110 40 B E H <> S+ 0 0 122 -3,-0.9 4,-1.7 1,-0.2 3,-0.4 0.944 114.2 45.6 -60.6 -53.0 31.7 19.2 32.9 111 41 B S H X S+ 0 0 11 -4,-1.8 4,-1.5 1,-0.3 -1,-0.2 0.680 108.2 59.5 -69.8 -18.1 32.3 15.6 32.0 112 42 B L H X S+ 0 0 9 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.3 0.871 103.8 51.3 -70.0 -39.6 34.4 16.9 29.0 113 43 B E H X S+ 0 0 107 -4,-1.6 4,-2.4 -3,-0.4 -2,-0.2 0.943 107.9 51.5 -61.0 -50.3 36.7 18.6 31.5 114 44 B T H X S+ 0 0 95 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.938 113.7 43.1 -51.7 -55.1 37.2 15.5 33.5 115 45 B V H X S+ 0 0 28 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.818 110.3 56.8 -65.2 -32.5 38.2 13.4 30.5 116 46 B A H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.930 108.0 48.8 -61.9 -45.6 40.4 16.2 29.1 117 47 B A H X S+ 0 0 52 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.912 110.0 49.3 -60.8 -50.1 42.4 16.2 32.3 118 48 B K H X S+ 0 0 134 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.892 110.2 51.3 -60.2 -43.3 42.9 12.5 32.4 119 49 B I H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.983 116.9 38.4 -56.6 -58.5 44.1 12.3 28.8 120 50 B V H X S+ 0 0 31 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.854 118.7 51.9 -62.0 -35.7 46.7 15.1 29.3 121 51 B N H X S+ 0 0 77 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.994 111.3 43.2 -60.9 -65.2 47.5 13.8 32.7 122 52 B D H X S+ 0 0 56 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.876 117.6 48.2 -48.6 -45.4 48.2 10.1 31.7 123 53 B L H X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.941 107.4 53.7 -64.7 -48.4 50.1 11.4 28.7 124 54 B T H X S+ 0 0 44 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.883 106.1 56.1 -51.1 -42.5 52.2 13.8 30.7 125 55 B K H X S+ 0 0 144 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.964 110.4 43.1 -54.3 -54.4 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0.790 117.0 49.2 -73.8 -31.5 17.4 8.2 23.4 251 33 D G H 3< S+ 0 0 54 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.828 95.8 72.3 -73.8 -33.5 17.5 4.6 24.6 252 34 D S T 3< S+ 0 0 81 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 0.266 91.9 72.4 -71.0 14.6 19.5 3.5 21.5 253 35 D Q S < S- 0 0 45 -3,-0.6 3,-0.1 -5,-0.1 -1,-0.0 -0.991 78.4-120.9-140.1 134.4 22.6 5.2 22.8 254 36 D N - 0 0 74 -2,-0.4 -218,-0.1 1,-0.1 -2,-0.0 -0.284 49.4 -83.1 -59.9 147.8 25.2 4.7 25.5 255 37 D P > - 0 0 57 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 -0.159 36.2-119.5 -43.2 144.6 25.7 7.3 28.2 256 38 D I H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.765 112.6 62.8 -64.6 -24.0 28.1 10.1 27.2 257 39 D K H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.978 104.2 43.4 -62.6 -57.5 30.3 9.1 30.1 258 40 D E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.916 114.2 51.3 -53.7 -51.2 31.0 5.6 28.8 259 41 D S H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.949 109.9 48.2 -52.2 -58.9 31.6 6.9 25.2 260 42 D L H X S+ 0 0 13 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.896 110.6 54.4 -45.8 -48.2 34.1 9.5 26.4 261 43 D E H X S+ 0 0 128 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.887 109.1 43.4 -61.3 -47.1 35.9 6.9 28.4 262 44 D T H X S+ 0 0 102 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.880 116.2 49.0 -67.4 -37.9 36.5 4.4 25.7 263 45 D V H X S+ 0 0 30 -4,-2.2 4,-2.8 -5,-0.2 3,-0.4 0.974 110.6 48.9 -63.7 -54.6 37.5 7.1 23.2 264 46 D A H X S+ 0 0 10 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.855 109.3 55.6 -51.3 -38.4 39.9 8.7 25.7 265 47 D A H X S+ 0 0 51 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.904 109.8 43.8 -62.0 -44.4 41.4 5.2 26.3 266 48 D K H X S+ 0 0 145 -4,-1.8 4,-2.1 -3,-0.4 5,-0.3 0.884 109.8 58.9 -68.3 -38.7 42.1 4.8 22.6 267 49 D I H X S+ 0 0 6 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.957 113.0 36.0 -53.0 -57.7 43.5 8.3 22.4 268 50 D V H X S+ 0 0 21 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.912 113.7 56.9 -67.4 -43.5 46.2 7.7 24.9 269 51 D N H X S+ 0 0 82 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.820 110.3 44.2 -59.7 -36.5 46.9 4.1 23.9 270 52 D D H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.877 116.0 46.4 -76.6 -38.5 47.7 5.1 20.4 271 53 D L H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.765 112.4 52.2 -71.5 -25.9 49.8 8.1 21.4 272 54 D T H X S+ 0 0 37 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.908 108.8 49.2 -73.6 -42.6 51.5 5.8 24.0 273 55 D K H < S+ 0 0 127 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.893 112.4 50.6 -59.7 -40.3 52.2 3.4 21.2 274 56 D L H >< S+ 0 0 27 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.947 114.3 40.8 -59.9 -53.8 53.6 6.3 19.2 275 57 D I H >< S+ 0 0 14 -4,-2.2 3,-2.7 1,-0.3 -2,-0.2 0.924 111.4 54.2 -68.0 -48.1 55.9 7.7 21.9 276 58 D N T 3< S+ 0 0 90 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.588 99.0 67.2 -61.8 -10.1 57.1 4.3 23.1 277 59 D D T < S- 0 0 130 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.573 100.3-142.4 -85.6 -12.6 58.1 3.8 19.5 278 60 D d X> - 0 0 17 -3,-2.7 3,-1.4 -4,-0.2 4,-0.6 0.893 23.4-176.1 54.7 60.2 60.7 6.5 19.9 279 61 D P T 34 S+ 0 0 46 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.745 77.5 51.3 -58.3 -31.1 60.4 8.3 16.5 280 62 D a T 3> S+ 0 0 26 1,-0.2 4,-1.3 2,-0.1 3,-0.3 0.576 90.3 77.5 -87.2 -11.1 63.3 10.8 17.2 281 63 D N H <> S+ 0 0 6 -3,-1.4 4,-3.0 1,-0.2 5,-0.2 0.884 83.5 62.6 -70.0 -38.4 65.9 8.2 18.3 282 64 D K H X S+ 0 0 166 -4,-0.6 4,-1.2 -3,-0.3 -1,-0.2 0.843 103.3 51.7 -54.6 -36.9 66.7 7.1 14.7 283 65 D E H > S+ 0 0 88 -3,-0.3 4,-1.4 -4,-0.3 3,-0.4 0.960 114.6 40.0 -63.8 -52.6 67.9 10.6 13.9 284 66 D I H X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 5,-0.2 0.826 107.7 64.6 -66.9 -32.5 70.2 10.8 17.0 285 67 D L H X S+ 0 0 58 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.846 105.1 44.5 -60.3 -37.6 71.4 7.2 16.5 286 68 D E H < S+ 0 0 146 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.839 111.1 54.3 -72.7 -36.3 73.0 8.1 13.2 287 69 D A H < S+ 0 0 16 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.756 118.1 36.5 -65.1 -27.2 74.4 11.2 14.8 288 70 D L H < S+ 0 0 38 -4,-1.8 2,-1.1 1,-0.2 -2,-0.2 0.831 110.3 59.6 -91.4 -42.5 76.0 8.9 17.5 289 71 D G S < S+ 0 0 71 -4,-3.2 2,-0.3 -5,-0.2 -1,-0.2 -0.162 102.0 85.5 -75.6 40.7 76.7 6.0 15.1 290 72 D T - 0 0 87 -2,-1.1 -3,-0.1 -3,-0.3 -4,-0.0 -0.913 64.0-142.8-139.4 167.9 78.9 8.6 13.2 291 73 D Q 0 0 172 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 -0.855 360.0 360.0-128.0 159.3 82.4 10.1 13.3 292 74 D P 0 0 184 0, 0.0 -1,-0.2 0, 0.0 -223,-0.0 0.990 360.0 360.0 -65.3 360.0 84.0 13.5 12.6