==== 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 LEUCINE ZIPPER 15-APR-98 1A92 . COMPND 2 MOLECULE: DELTA ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS DELTA VIRUS; . AUTHOR H.J.ZUCCOLA,J.M.HOGLE . 199 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 87.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 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 12 A G > 0 0 84 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 171.1 78.5 36.4 -10.0 2 13 A R H > + 0 0 164 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.833 360.0 55.0 -57.9 -35.4 76.6 38.3 -7.3 3 14 A E H > S+ 0 0 147 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.862 109.3 48.7 -66.8 -33.8 79.1 36.9 -4.7 4 15 A D H > S+ 0 0 73 -3,-0.5 4,-2.1 2,-0.2 3,-0.3 0.961 111.7 47.4 -67.9 -50.8 81.8 38.5 -6.8 5 16 A I H X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.843 110.1 54.3 -57.2 -37.6 80.1 41.8 -7.1 6 17 A L H X S+ 0 0 49 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.874 106.4 51.2 -66.6 -37.5 79.4 41.7 -3.3 7 18 A E H X S+ 0 0 104 -4,-1.6 4,-2.7 -3,-0.3 5,-0.3 0.917 111.3 48.2 -63.6 -44.3 83.2 41.3 -2.6 8 19 A Q H X S+ 0 0 83 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 115.3 45.3 -61.1 -45.4 83.9 44.2 -4.9 9 20 A W H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 115.7 43.6 -66.5 -47.4 81.3 46.3 -3.1 10 21 A V H X S+ 0 0 70 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.889 115.8 48.7 -67.8 -37.8 82.2 45.4 0.4 11 22 A S H X S+ 0 0 77 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.885 111.9 50.0 -67.8 -38.2 86.0 45.7 -0.3 12 23 A G H X S+ 0 0 8 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.918 111.4 47.6 -65.8 -43.2 85.3 49.1 -1.9 13 24 A R H X S+ 0 0 65 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.893 111.7 50.8 -64.7 -40.7 83.3 50.3 1.1 14 25 A K H X S+ 0 0 117 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.955 113.4 44.7 -60.8 -50.6 85.9 49.1 3.5 15 26 A K H X S+ 0 0 110 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.914 111.2 55.0 -59.5 -43.6 88.6 51.0 1.5 16 27 A L H X S+ 0 0 26 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.902 106.5 49.7 -58.1 -43.8 86.3 54.0 1.3 17 28 A E H X S+ 0 0 119 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.859 112.5 48.2 -64.9 -34.6 85.9 54.1 5.1 18 29 A E H X S+ 0 0 62 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.924 111.3 49.0 -71.3 -42.7 89.7 53.9 5.5 19 30 A L H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.901 113.1 49.0 -61.9 -40.4 90.4 56.6 2.9 20 31 A E H X S+ 0 0 61 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.882 112.4 46.1 -68.2 -39.6 87.8 58.8 4.7 21 32 A R H X S+ 0 0 107 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.947 114.6 48.3 -67.9 -47.3 89.2 58.3 8.1 22 33 A D H X S+ 0 0 48 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.933 112.9 47.8 -56.6 -49.2 92.8 58.9 6.8 23 34 A L H X S+ 0 0 18 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.935 110.8 51.7 -57.1 -49.3 91.7 62.0 5.0 24 35 A R H X S+ 0 0 138 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.915 113.8 44.3 -53.9 -48.2 89.9 63.2 8.1 25 36 A K H X S+ 0 0 114 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.943 114.0 47.9 -63.6 -50.9 93.0 62.7 10.2 26 37 A L H X S+ 0 0 20 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.844 107.1 56.5 -62.0 -36.4 95.4 64.3 7.7 27 38 A K H X S+ 0 0 93 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.890 109.5 46.5 -63.8 -37.6 93.3 67.3 7.2 28 39 A K H X S+ 0 0 152 -4,-1.3 4,-2.3 -3,-0.2 -2,-0.2 0.894 111.6 51.4 -69.8 -39.7 93.4 68.0 11.0 29 40 A K H X S+ 0 0 85 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.894 113.7 43.9 -63.0 -41.8 97.2 67.4 11.0 30 41 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.879 112.2 52.4 -71.0 -40.2 97.7 69.9 8.2 31 42 A K H X S+ 0 0 121 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.904 112.3 46.7 -61.8 -41.9 95.3 72.4 9.7 32 43 A K H X S+ 0 0 117 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.907 108.6 54.1 -66.7 -45.2 97.2 72.2 13.0 33 44 A L H X S+ 0 0 15 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.922 111.7 46.1 -55.4 -44.5 100.6 72.5 11.2 34 45 A E H < S+ 0 0 40 -4,-2.4 6,-0.2 2,-0.2 -1,-0.2 0.871 112.7 49.0 -68.6 -36.6 99.3 75.7 9.6 35 46 A E H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.919 116.9 41.6 -68.4 -42.2 97.9 77.1 12.9 36 47 A D H < S+ 0 0 92 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.685 122.4 40.9 -77.9 -20.3 101.2 76.4 14.8 37 48 A N >< + 0 0 27 -4,-1.6 3,-2.5 -5,-0.3 -1,-0.3 -0.645 65.2 176.2-131.5 76.9 103.4 77.6 11.9 38 49 A P T > S+ 0 0 97 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.682 72.8 76.4 -53.4 -24.7 101.8 80.7 10.4 39 50 A W T >> S+ 0 0 30 1,-0.3 4,-1.3 2,-0.2 3,-0.7 0.643 76.2 77.4 -64.0 -14.4 104.7 81.2 8.1 40 51 A L H <> S+ 0 0 0 -3,-2.5 4,-2.2 1,-0.3 -1,-0.3 0.696 82.7 67.1 -67.0 -18.1 103.2 78.3 6.0 41 52 A G H <> S+ 0 0 37 -3,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.883 99.4 48.8 -67.4 -38.3 100.8 81.0 4.9 42 53 A N H <> S+ 0 0 115 -3,-0.7 4,-2.0 -4,-0.4 -2,-0.2 0.872 109.0 52.4 -67.2 -39.7 103.7 82.7 3.1 43 54 A I H X S+ 0 0 41 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.916 108.5 51.5 -62.0 -43.3 104.7 79.3 1.5 44 55 A K H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.903 108.0 52.3 -61.0 -40.8 101.1 79.0 0.3 45 56 A G H <>S+ 0 0 4 -4,-1.9 5,-2.7 2,-0.2 4,-0.4 0.891 110.8 46.8 -62.5 -39.5 101.3 82.4 -1.2 46 57 A I H ><5S+ 0 0 131 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.930 113.6 47.7 -67.6 -45.1 104.6 81.5 -3.1 47 58 A I H 3<5S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 119.5 40.1 -61.4 -42.7 103.1 78.2 -4.3 48 59 A G T 3<5S- 0 0 13 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.363 108.9-123.5 -90.4 4.8 99.9 79.9 -5.5 49 60 A K T < 5 0 0 198 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.880 360.0 360.0 55.3 45.4 101.7 83.0 -6.8 50 61 A Y < 0 0 135 -5,-2.7 -4,-0.2 -6,-0.1 -5,-0.2 0.471 360.0 360.0-138.2 360.0 99.8 85.5 -4.7 51 !* 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 52 12 B G >> 0 0 89 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 169.1 84.9 89.4 -13.3 53 13 B R H 3> + 0 0 163 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.839 360.0 58.5 -59.8 -36.2 86.6 87.4 -10.6 54 14 B E H 3> S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 107.4 47.5 -62.7 -37.2 84.3 88.9 -7.9 55 15 B D H <> S+ 0 0 79 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.933 112.2 48.5 -69.4 -44.6 81.3 87.5 -9.7 56 16 B I H X S+ 0 0 29 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.897 112.0 50.4 -60.6 -40.1 82.9 84.0 -10.1 57 17 B L H X S+ 0 0 46 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.884 109.0 51.0 -65.8 -38.2 83.8 84.1 -6.4 58 18 B E H X S+ 0 0 93 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.919 111.9 47.8 -63.8 -43.7 80.3 85.0 -5.5 59 19 B Q H X S+ 0 0 79 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 115.1 45.5 -62.3 -44.5 79.1 82.1 -7.6 60 20 B W H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.930 115.6 43.4 -66.1 -48.8 81.6 79.8 -6.0 61 21 B V H X S+ 0 0 75 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.897 116.0 49.2 -65.8 -39.8 81.0 80.8 -2.4 62 22 B S H X S+ 0 0 73 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.934 112.0 48.7 -64.7 -45.7 77.3 80.8 -2.8 63 23 B G H X S+ 0 0 8 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.867 111.5 48.9 -62.6 -37.9 77.3 77.4 -4.4 64 24 B R H X S+ 0 0 51 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.850 110.3 51.5 -70.9 -34.0 79.5 76.0 -1.7 65 25 B K H X S+ 0 0 125 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.964 114.2 43.3 -64.9 -50.1 77.2 77.5 0.9 66 26 B K H X S+ 0 0 105 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.873 111.0 56.7 -61.2 -39.5 74.2 75.8 -0.8 67 27 B L H X S+ 0 0 25 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.945 108.3 45.2 -58.0 -50.8 76.2 72.6 -1.3 68 28 B E H X S+ 0 0 101 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.866 113.1 52.1 -62.3 -35.9 76.9 72.3 2.5 69 29 B E H X S+ 0 0 55 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 110.4 47.0 -66.9 -43.7 73.2 73.1 3.1 70 30 B L H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.868 111.9 51.2 -65.3 -39.2 72.0 70.4 0.7 71 31 B E H X S+ 0 0 54 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.877 111.1 47.8 -67.3 -35.1 74.4 67.9 2.3 72 32 B R H X S+ 0 0 118 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.926 113.2 47.4 -69.8 -46.2 73.2 68.7 5.8 73 33 B D H X S+ 0 0 57 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.891 112.0 51.3 -60.4 -41.4 69.5 68.4 4.7 74 34 B L H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.909 109.8 49.0 -62.5 -45.5 70.3 65.1 2.9 75 35 B R H X S+ 0 0 146 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.912 114.7 45.5 -60.7 -45.6 72.0 63.7 6.0 76 36 B K H X S+ 0 0 142 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.931 115.3 45.1 -64.6 -49.1 69.0 64.7 8.2 77 37 B L H X S+ 0 0 22 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.898 109.4 56.4 -62.9 -43.7 66.4 63.4 5.8 78 38 B K H X S+ 0 0 103 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.911 108.9 46.3 -55.3 -45.2 68.2 60.2 5.3 79 39 B K H X S+ 0 0 144 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.856 111.7 52.8 -66.0 -35.3 68.3 59.5 9.0 80 40 B K H X S+ 0 0 97 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.910 112.2 43.8 -66.6 -43.6 64.6 60.4 9.2 81 41 B I H X S+ 0 0 8 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.901 112.3 53.3 -69.2 -41.1 63.7 57.9 6.4 82 42 B K H X S+ 0 0 77 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.911 111.6 44.9 -60.2 -44.7 65.9 55.2 7.9 83 43 B K H X S+ 0 0 126 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.896 110.1 55.0 -66.6 -39.9 64.2 55.5 11.3 84 44 B L H X S+ 0 0 14 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.935 110.8 46.8 -57.3 -44.8 60.8 55.6 9.6 85 45 B E H < S+ 0 0 51 -4,-2.6 6,-0.2 2,-0.2 7,-0.2 0.833 112.3 48.1 -68.4 -34.2 61.8 52.3 7.9 86 46 B E H < S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 114.9 45.0 -72.9 -39.9 63.1 50.7 11.1 87 47 B D H < S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.708 123.4 38.3 -73.9 -21.3 60.0 51.6 13.1 88 48 B N >< + 0 0 29 -4,-1.3 3,-2.5 -5,-0.3 -1,-0.3 -0.616 66.9 172.9-133.0 73.5 57.8 50.5 10.2 89 49 B P T > S+ 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.707 72.2 74.1 -53.5 -26.4 59.4 47.4 8.7 90 50 B W T >> S+ 0 0 34 1,-0.3 4,-1.1 2,-0.2 3,-0.9 0.686 78.3 75.0 -64.8 -17.2 56.4 46.9 6.4 91 51 B L H <> S+ 0 0 0 -3,-2.5 4,-2.7 1,-0.3 -1,-0.3 0.780 84.0 68.4 -64.1 -24.3 57.7 49.8 4.4 92 52 B G H <> S+ 0 0 36 -3,-2.0 4,-1.3 -4,-0.2 -1,-0.3 0.878 96.6 51.1 -60.2 -37.4 60.2 47.2 3.2 93 53 B N H <> S+ 0 0 119 -3,-0.9 4,-1.7 -4,-0.4 -1,-0.2 0.856 108.9 52.6 -67.7 -35.6 57.4 45.4 1.4 94 54 B I H X S+ 0 0 46 -4,-1.1 4,-2.3 2,-0.2 5,-0.3 0.950 109.1 46.3 -65.5 -51.5 56.4 48.7 -0.2 95 55 B K H X S+ 0 0 62 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.807 108.8 59.3 -64.8 -22.0 59.9 49.4 -1.6 96 56 B G H < S+ 0 0 52 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.2 0.924 108.1 43.8 -69.2 -42.1 59.9 45.8 -2.8 97 57 B I H >< S+ 0 0 129 -4,-1.7 3,-0.5 -3,-0.2 -2,-0.2 0.885 121.4 37.4 -70.8 -39.0 56.8 46.5 -4.9 98 58 B I H >< S+ 0 0 99 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.696 104.3 70.1 -86.5 -18.8 57.9 49.8 -6.3 99 59 B G T 3< + 0 0 46 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.574 67.7 110.4 -74.2 -7.8 61.6 48.7 -6.6 100 60 B K T < 0 0 150 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.724 360.0 360.0 -34.2 -51.3 60.6 46.4 -9.5 101 61 B Y < 0 0 253 -3,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.722 360.0 360.0-100.7 360.0 62.3 48.3 -12.3 102 !* 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 0.0 103 12 C G > 0 0 84 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 174.0 112.8 73.0 12.5 104 13 C R H > + 0 0 166 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 360.0 55.1 -59.7 -36.7 111.1 74.9 9.7 105 14 C E H > S+ 0 0 143 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 110.4 46.3 -61.3 -46.3 112.6 72.5 7.1 106 15 C D H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 112.4 49.0 -62.8 -47.2 111.1 69.6 9.0 107 16 C I H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.905 111.2 51.0 -58.8 -42.7 107.7 71.3 9.3 108 17 C L H X S+ 0 0 50 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.915 109.0 51.4 -60.8 -43.3 107.7 72.2 5.6 109 18 C E H X S+ 0 0 105 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.918 111.7 47.0 -59.5 -45.6 108.5 68.6 4.8 110 19 C Q H X S+ 0 0 58 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.909 116.0 44.2 -61.7 -47.1 105.5 67.4 6.9 111 20 C W H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.940 116.5 44.7 -65.6 -49.7 103.2 69.9 5.5 112 21 C V H X S+ 0 0 68 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.920 117.1 45.9 -63.4 -43.5 104.2 69.4 1.8 113 22 C S H X S+ 0 0 47 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.895 114.0 49.2 -65.2 -41.0 104.2 65.6 2.2 114 23 C G H X S+ 0 0 3 -4,-2.4 4,-3.0 -5,-0.3 -2,-0.2 0.884 111.1 49.7 -65.5 -38.9 100.8 65.8 4.0 115 24 C R H X S+ 0 0 82 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.879 111.3 49.1 -67.3 -38.1 99.5 68.0 1.2 116 25 C K H X S+ 0 0 149 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.936 114.1 45.7 -66.1 -45.5 100.7 65.5 -1.4 117 26 C K H X S+ 0 0 93 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.922 110.4 54.0 -61.4 -45.9 99.2 62.6 0.6 118 27 C L H X S+ 0 0 6 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.915 106.8 52.3 -55.5 -45.2 95.9 64.6 1.0 119 28 C E H X S+ 0 0 56 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.913 112.3 43.9 -60.5 -44.1 95.7 65.2 -2.7 120 29 C E H X S+ 0 0 71 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.867 111.4 53.2 -72.7 -32.3 96.1 61.5 -3.6 121 30 C L H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.885 111.6 46.5 -65.6 -40.1 93.7 60.4 -0.8 122 31 C E H X S+ 0 0 47 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.868 113.0 50.2 -69.0 -36.5 91.0 62.7 -2.2 123 32 C R H X S+ 0 0 113 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.964 113.0 45.0 -64.2 -53.4 91.8 61.5 -5.7 124 33 C D H X S+ 0 0 51 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.881 112.9 52.1 -58.1 -40.9 91.4 57.9 -4.6 125 34 C L H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.898 109.1 49.9 -63.5 -42.3 88.3 58.7 -2.7 126 35 C R H X S+ 0 0 143 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.933 114.5 44.1 -63.3 -45.2 86.8 60.4 -5.8 127 36 C K H X S+ 0 0 114 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.910 114.6 48.1 -66.2 -43.6 87.6 57.4 -8.0 128 37 C L H X S+ 0 0 14 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.881 108.3 53.9 -66.2 -40.5 86.4 54.8 -5.4 129 38 C K H X S+ 0 0 106 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.894 110.0 48.8 -61.3 -39.1 83.1 56.6 -4.8 130 39 C K H X S+ 0 0 61 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.928 111.1 50.1 -65.2 -44.2 82.5 56.6 -8.5 131 40 C K H X S+ 0 0 129 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.885 113.0 45.6 -61.8 -41.2 83.3 52.8 -8.7 132 41 C I H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.921 112.4 49.7 -70.3 -44.1 81.0 52.0 -5.8 133 42 C K H X S+ 0 0 98 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.896 113.2 47.5 -60.7 -41.2 78.1 54.1 -7.1 134 43 C K H X S+ 0 0 116 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.865 109.9 53.3 -66.8 -38.3 78.5 52.5 -10.5 135 44 C L H X S+ 0 0 14 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.889 111.6 45.5 -62.0 -42.9 78.6 49.1 -8.8 136 45 C E H < S+ 0 0 46 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.799 113.9 49.3 -71.9 -31.2 75.3 49.9 -7.1 137 46 C E H < S+ 0 0 123 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.893 114.2 44.1 -74.9 -39.5 73.8 51.2 -10.3 138 47 C D H < S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.677 123.8 38.0 -77.6 -18.8 74.9 48.1 -12.2 139 48 C N >< + 0 0 27 -4,-1.2 3,-2.3 -5,-0.2 -1,-0.3 -0.626 66.1 176.6-136.0 76.1 73.7 45.8 -9.4 140 49 C P T > S+ 0 0 99 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.704 73.0 74.8 -51.2 -28.0 70.5 47.2 -7.9 141 50 C W T >> S+ 0 0 41 1,-0.3 3,-1.1 2,-0.2 4,-0.9 0.697 77.6 76.7 -63.5 -16.0 70.2 44.2 -5.5 142 51 C L H <> S+ 0 0 2 -3,-2.3 4,-3.1 1,-0.2 -1,-0.3 0.756 78.6 73.8 -65.6 -22.3 73.0 45.7 -3.5 143 52 C G H <> S+ 0 0 43 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.858 94.9 49.8 -59.3 -36.9 70.5 48.1 -2.1 144 53 C N H <> S+ 0 0 115 -3,-1.1 4,-2.1 -4,-0.3 -1,-0.2 0.870 111.1 48.2 -69.2 -38.6 68.9 45.4 0.0 145 54 C I H X S+ 0 0 41 -4,-0.9 4,-2.5 2,-0.2 5,-0.3 0.936 111.2 51.3 -66.5 -44.3 72.4 44.4 1.3 146 55 C K H X S+ 0 0 81 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.897 110.6 49.4 -57.1 -43.5 73.0 48.0 2.1 147 56 C G H < S+ 0 0 50 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.886 109.9 51.4 -64.3 -39.6 69.7 48.2 3.9 148 57 C I H >< S+ 0 0 127 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.954 115.4 38.3 -63.8 -52.3 70.5 45.1 6.0 149 58 C I H 3< S+ 0 0 93 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.749 111.7 60.8 -74.3 -20.0 73.9 46.1 7.2 150 59 C G T 3< + 0 0 27 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.475 69.7 109.5 -84.9 -1.3 72.8 49.7 7.7 151 60 C K < 0 0 110 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.826 360.0 360.0 -41.1 -48.1 70.1 48.8 10.2 152 61 C Y 0 0 216 -3,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.765 360.0 360.0-110.3 360.0 72.0 50.4 13.1 153 !* 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 0.0 154 12 D G > 0 0 86 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-179.2 48.3 54.9 10.9 155 13 D R H > + 0 0 166 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.823 360.0 55.1 -61.3 -32.7 50.1 53.1 8.0 156 14 D E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 109.3 48.2 -67.0 -40.0 48.7 55.6 5.4 157 15 D D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 112.6 47.2 -64.9 -44.9 50.2 58.4 7.4 158 16 D I H X S+ 0 0 25 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.911 111.2 51.8 -63.7 -41.4 53.5 56.7 7.7 159 17 D L H X S+ 0 0 44 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.871 108.1 52.0 -62.7 -37.0 53.5 55.9 4.0 160 18 D E H X S+ 0 0 94 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.931 111.4 46.5 -64.3 -45.5 52.7 59.6 3.2 161 19 D Q H X S+ 0 0 66 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 115.7 46.7 -61.9 -43.5 55.8 60.6 5.4 162 20 D W H X S+ 0 0 1 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.949 114.0 45.2 -64.6 -50.6 57.9 58.0 3.7 163 21 D V H X S+ 0 0 76 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.904 116.4 46.5 -62.7 -40.2 56.9 58.8 0.1 164 22 D S H X S+ 0 0 78 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.893 114.1 49.0 -68.6 -38.0 57.2 62.6 0.8 165 23 D G H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.924 112.1 47.9 -66.3 -43.9 60.6 61.9 2.4 166 24 D R H X S+ 0 0 71 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.896 111.1 50.9 -64.0 -40.3 61.7 59.8 -0.5 167 25 D K H X S+ 0 0 124 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.936 112.4 46.0 -62.2 -48.1 60.6 62.4 -3.0 168 26 D K H X S+ 0 0 107 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.905 110.0 55.6 -60.5 -42.3 62.5 65.2 -1.2 169 27 D L H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.925 107.7 48.0 -56.1 -47.5 65.5 62.9 -0.9 170 28 D E H X S+ 0 0 103 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.873 113.2 48.3 -64.0 -37.6 65.6 62.4 -4.7 171 29 D E H X S+ 0 0 61 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.914 112.1 47.9 -68.8 -43.0 65.3 66.1 -5.3 172 30 D L H X S+ 0 0 9 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.879 113.6 48.9 -63.6 -39.7 68.0 67.0 -2.8 173 31 D E H X S+ 0 0 59 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.870 112.1 47.9 -68.1 -38.8 70.2 64.3 -4.4 174 32 D R H X S+ 0 0 97 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.953 112.8 48.2 -65.9 -51.0 69.5 65.7 -7.9 175 33 D D H X S+ 0 0 57 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.863 111.1 52.7 -57.4 -37.3 70.2 69.2 -6.8 176 34 D L H X S+ 0 0 18 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.939 108.7 47.2 -66.6 -47.1 73.4 68.1 -5.1 177 35 D R H X S+ 0 0 127 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.936 114.8 47.3 -59.7 -46.0 74.8 66.3 -8.2 178 36 D K H X S+ 0 0 109 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.883 115.0 45.0 -63.0 -41.4 73.9 69.3 -10.4 179 37 D L H X S+ 0 0 17 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.880 111.5 52.2 -71.4 -40.0 75.5 71.8 -7.9 180 38 D K H X S+ 0 0 84 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.927 111.7 46.8 -60.7 -45.2 78.6 69.7 -7.4 181 39 D K H X S+ 0 0 132 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.865 112.1 52.6 -63.5 -36.7 79.1 69.5 -11.1 182 40 D K H X S+ 0 0 134 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.922 111.9 43.1 -65.4 -48.5 78.5 73.3 -11.3 183 41 D I H X S+ 0 0 10 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.897 112.1 54.6 -66.4 -41.6 81.1 74.1 -8.7 184 42 D K H X S+ 0 0 112 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.936 110.6 45.3 -57.7 -48.7 83.6 71.6 -10.2 185 43 D K H X S+ 0 0 120 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.884 109.5 56.7 -62.7 -38.6 83.3 73.3 -13.6 186 44 D L H X S+ 0 0 16 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.904 110.7 43.7 -58.4 -43.6 83.6 76.7 -11.9 187 45 D E H < S+ 0 0 45 -4,-2.3 6,-0.3 2,-0.2 7,-0.2 0.871 112.9 50.5 -70.5 -40.1 86.9 75.7 -10.4 188 46 D E H < S+ 0 0 121 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 114.5 45.3 -65.1 -37.8 88.2 74.1 -13.6 189 47 D D H < S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.696 121.7 37.7 -78.8 -21.5 87.3 77.2 -15.5 190 48 D N >< + 0 0 26 -4,-1.1 3,-2.5 -5,-0.2 -1,-0.3 -0.661 66.2 178.0-133.7 78.8 88.8 79.6 -12.9 191 49 D P T > S+ 0 0 99 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.718 74.7 74.0 -53.9 -26.7 92.0 78.0 -11.5 192 50 D W T >> S+ 0 0 40 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.685 80.1 74.6 -63.7 -15.3 92.7 80.9 -9.3 193 51 D L H <> S+ 0 0 0 -3,-2.5 4,-2.4 -6,-0.3 -1,-0.3 0.815 82.4 68.5 -65.0 -29.4 89.8 79.6 -7.2 194 52 D G H <> S+ 0 0 39 -3,-1.9 4,-2.2 -4,-0.3 -1,-0.2 0.875 96.7 52.7 -56.2 -37.9 92.2 76.9 -6.0 195 53 D N H <> S+ 0 0 52 -3,-0.7 4,-2.5 -4,-0.4 -1,-0.3 0.855 106.7 52.2 -66.5 -36.4 94.2 79.7 -4.2 196 54 D I H X S+ 0 0 43 -4,-0.9 4,-2.1 -3,-0.2 -2,-0.2 0.928 108.8 50.0 -65.2 -44.3 91.0 80.8 -2.5 197 55 D K H <>S+ 0 0 50 -4,-2.4 5,-4.0 1,-0.2 -2,-0.2 0.916 110.3 51.8 -60.1 -41.5 90.3 77.3 -1.3 198 56 D G H ><5S+ 0 0 16 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.944 107.9 50.8 -60.2 -47.2 93.9 77.2 0.0 199 57 D I H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 112.1 46.2 -60.6 -37.5 93.4 80.4 2.0 200 58 D I T 3<5S- 0 0 98 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.312 121.2-105.7 -88.8 12.4 90.3 79.2 3.7 201 59 D G T < 5 0 0 50 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.870 360.0 360.0 67.9 38.6 91.8 75.9 4.5 202 60 D K < 0 0 82 -5,-4.0 -4,-0.0 -6,-0.2 -8,-0.0 -0.228 360.0 360.0 52.1 360.0 89.8 74.0 1.8