==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 18-DEC-00 1HQJ . COMPND 2 MOLECULE: SIN-ASP-GLU-LEU-GLU-ALA-ARG-ILE-ARG-GLU-LEU-GLU- . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.BURKHARD,M.MEIER,A.LUSTIG . 180 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 75.6 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 . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 72.8 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+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 1 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A D > 0 0 78 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -30.8 21.1 35.3 16.0 2 3 A E H > + 0 0 76 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.942 360.0 41.3 -63.0 -48.7 22.3 31.7 16.2 3 4 A L H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 115.0 52.1 -67.5 -38.2 24.3 32.0 13.0 4 5 A E H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.902 108.7 50.5 -64.2 -39.4 25.6 35.5 14.0 5 6 A R H X S+ 0 0 56 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.898 109.6 50.8 -63.9 -39.2 26.7 34.1 17.4 6 7 A R H X S+ 0 0 41 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.892 110.2 49.5 -67.5 -37.4 28.6 31.3 15.7 7 8 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.935 109.3 52.6 -62.6 -44.2 30.3 33.8 13.4 8 9 A R H X S+ 0 0 163 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.870 107.4 51.9 -59.2 -38.8 31.2 35.9 16.5 9 10 A E H X S+ 0 0 136 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.904 111.1 47.2 -65.9 -39.3 32.7 32.9 18.2 10 11 A L H X S+ 0 0 8 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.920 110.9 51.4 -66.9 -43.2 34.8 32.2 15.1 11 12 A E H X S+ 0 0 45 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.906 113.2 46.0 -58.3 -42.9 35.9 35.9 14.9 12 13 A A H >< S+ 0 0 65 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.888 109.3 55.6 -66.2 -40.6 37.0 35.8 18.5 13 14 A R H 3< S+ 0 0 159 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.870 110.2 41.9 -64.8 -38.7 38.8 32.4 18.2 14 15 A I H 3< 0 0 55 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.543 360.0 360.0 -93.2 -3.4 41.1 33.5 15.3 15 16 A K << 0 0 197 -4,-0.6 -3,-0.0 -3,-0.6 -4,-0.0 -0.502 360.0 360.0 -75.4 360.0 41.9 36.9 16.8 16 !* 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 17 2 B D > 0 0 118 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -27.2 25.0 40.1 2.7 18 3 B E H > + 0 0 105 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.960 360.0 41.0 -63.1 -51.5 26.4 41.4 6.0 19 4 B L H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 116.2 50.9 -63.0 -41.8 26.6 37.9 7.6 20 5 B E H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.889 106.8 54.5 -64.4 -36.2 27.9 36.5 4.3 21 6 B R H X S+ 0 0 57 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.899 109.1 47.9 -62.7 -39.0 30.5 39.2 4.1 22 7 B R H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.883 111.0 50.6 -69.7 -37.6 31.8 38.3 7.6 23 8 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.917 107.5 54.5 -62.7 -42.9 31.8 34.6 6.6 24 9 B R H X S+ 0 0 127 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.899 107.8 49.5 -54.9 -44.4 33.8 35.5 3.5 25 10 B E H X S+ 0 0 98 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.909 111.4 48.5 -65.0 -43.4 36.4 37.3 5.6 26 11 B L H X S+ 0 0 5 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.905 112.0 49.9 -60.7 -41.6 36.7 34.3 7.9 27 12 B E H X S+ 0 0 31 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.892 105.2 57.0 -65.1 -39.4 37.0 32.0 4.9 28 13 B A H < S+ 0 0 76 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.877 116.2 36.9 -57.2 -37.7 39.7 34.2 3.5 29 14 B R H < S+ 0 0 154 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.921 126.6 32.5 -80.7 -48.8 41.7 33.7 6.7 30 15 B I H < 0 0 45 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.896 360.0 360.0 -83.0 -41.8 41.0 30.1 7.5 31 16 B K < 0 0 108 -4,-2.0 11,-0.0 -5,-0.4 0, 0.0 -0.078 360.0 360.0 -92.1 360.0 40.6 28.5 4.1 32 !* 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 33 2 C D > 0 0 78 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -49.7 21.1 27.0 4.9 34 3 C E H > + 0 0 94 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.855 360.0 46.2 -62.3 -35.9 24.0 27.9 2.6 35 4 C L H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 109.8 53.0 -78.0 -40.5 25.5 30.2 5.2 36 5 C E H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.911 107.1 53.9 -55.0 -44.0 25.1 27.6 8.0 37 6 C R H X S+ 0 0 76 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.922 109.9 46.3 -58.4 -44.1 26.9 25.1 5.8 38 7 C R H X S+ 0 0 36 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.880 111.0 52.2 -70.0 -36.1 29.9 27.4 5.3 39 8 C I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.909 106.4 54.8 -62.0 -42.1 30.0 28.2 9.1 40 9 C R H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.882 106.2 51.5 -59.1 -39.9 30.0 24.5 9.8 41 10 C E H X S+ 0 0 22 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.915 111.0 47.9 -63.4 -42.4 33.1 24.1 7.5 42 11 C L H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.921 111.7 49.5 -64.1 -44.3 34.9 26.9 9.4 43 12 C E H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.913 108.8 52.9 -61.1 -43.6 34.0 25.4 12.8 44 13 C A H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 106.5 53.1 -61.0 -36.3 35.3 22.0 11.8 45 14 C R H < S+ 0 0 88 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.746 112.0 45.0 -77.3 -23.3 38.6 23.4 10.6 46 15 C I H < 0 0 57 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.849 360.0 360.0 -77.8 -40.2 39.1 25.1 14.0 47 16 C K < 0 0 61 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.569 360.0 360.0 -74.3 360.0 38.0 22.0 16.0 48 !* 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 49 2 D D > 0 0 166 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.5 31.6 -1.6 16.5 50 3 D E H > + 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 360.0 47.6 -63.7 -45.1 35.0 0.2 16.6 51 4 D L H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 112.9 50.5 -61.8 -40.5 34.5 1.9 13.3 52 5 D E H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.926 110.3 48.5 -62.2 -45.9 31.0 3.0 14.4 53 6 D R H X S+ 0 0 26 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.864 110.4 52.0 -62.1 -37.9 32.3 4.4 17.7 54 7 D R H X S+ 0 0 32 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.880 109.8 48.1 -72.3 -36.1 35.0 6.3 15.9 55 8 D I H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.933 112.5 50.3 -61.5 -45.2 32.5 7.9 13.6 56 9 D R H X S+ 0 0 126 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.870 108.9 51.8 -59.9 -39.1 30.4 8.7 16.6 57 10 D E H X S+ 0 0 125 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.918 110.9 47.3 -64.0 -44.3 33.5 10.2 18.3 58 11 D L H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.906 111.1 51.6 -61.7 -43.3 34.1 12.4 15.2 59 12 D E H X S+ 0 0 19 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.886 108.6 51.6 -62.7 -40.0 30.4 13.4 15.1 60 13 D A H < S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.5 51.8 -59.4 -39.0 30.6 14.4 18.8 61 14 D R H < S+ 0 0 133 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.5 33.4 -74.6 -38.0 33.7 16.6 18.2 62 15 D I H < 0 0 3 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.419 360.0 360.0-110.3 6.1 32.5 18.7 15.3 63 16 D K < 0 0 107 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.833 360.0 360.0 -87.5 360.0 28.9 19.0 16.3 64 !* 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 65 2 E D > 0 0 116 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.7 25.1 3.0 3.0 66 3 E E H > + 0 0 81 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.918 360.0 45.9 -70.8 -45.2 24.6 4.5 6.4 67 4 E L H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 114.0 49.9 -65.7 -40.2 28.2 4.5 7.6 68 5 E E H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.895 108.2 53.5 -65.7 -38.8 29.3 6.0 4.3 69 6 E R H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.948 110.9 46.6 -54.3 -49.0 26.6 8.7 4.5 70 7 E R H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.885 113.2 48.5 -66.6 -37.5 27.9 9.7 7.9 71 8 E I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.920 109.0 53.8 -66.4 -43.1 31.5 9.7 6.8 72 9 E R H X S+ 0 0 124 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.888 107.2 51.1 -58.0 -41.0 30.6 11.8 3.7 73 10 E E H X S+ 0 0 42 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.924 111.2 47.5 -64.8 -42.4 28.9 14.4 5.9 74 11 E L H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.911 111.9 51.1 -62.8 -41.4 32.0 14.6 8.1 75 12 E E H X S+ 0 0 32 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.894 105.7 55.2 -62.7 -41.5 34.2 14.9 5.1 76 13 E A H < S+ 0 0 27 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.871 115.5 39.1 -59.4 -36.8 32.1 17.7 3.7 77 14 E R H < S+ 0 0 10 -4,-1.5 -2,-0.2 -5,-0.2 -32,-0.2 0.922 126.5 32.8 -76.5 -46.5 32.6 19.7 6.9 78 15 E I H < 0 0 10 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.845 360.0 360.0 -86.9 -40.0 36.3 18.8 7.5 79 16 E K < 0 0 73 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.730 360.0 360.0 -96.6 360.0 37.7 18.5 4.0 80 !* 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 81 2 F D > 0 0 169 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -51.3 39.3 -1.2 5.4 82 3 F E H > + 0 0 112 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.888 360.0 45.9 -61.7 -40.1 38.3 1.5 3.0 83 4 F L H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 109.3 55.8 -72.5 -36.0 36.0 3.2 5.5 84 5 F E H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.902 105.3 53.1 -57.9 -42.1 38.6 2.9 8.2 85 6 F R H X S+ 0 0 43 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.910 109.4 47.7 -61.7 -42.5 41.1 4.8 5.9 86 7 F R H X S+ 0 0 40 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.906 111.4 50.9 -66.3 -39.7 38.6 7.6 5.5 87 8 F I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.920 107.5 53.8 -61.7 -42.6 38.0 7.8 9.2 88 9 F R H X S+ 0 0 144 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.885 107.3 50.9 -60.0 -38.4 41.8 7.9 9.8 89 10 F E H X S+ 0 0 97 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.918 111.3 48.3 -66.7 -38.5 42.1 10.9 7.4 90 11 F L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.939 111.0 49.7 -64.8 -46.3 39.3 12.7 9.3 91 12 F E H X S+ 0 0 41 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.894 114.4 45.7 -58.9 -40.9 40.8 12.0 12.7 92 13 F A H >< S+ 0 0 66 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.908 110.6 52.1 -69.2 -43.3 44.2 13.3 11.5 93 14 F R H 3< S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 106.0 54.4 -64.0 -32.7 42.8 16.4 9.8 94 15 F I H 3< 0 0 21 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.704 360.0 360.0 -77.9 -19.8 40.9 17.5 12.9 95 16 F K << 0 0 196 -3,-0.7 -48,-0.0 -4,-0.7 -3,-0.0 -0.550 360.0 360.0 -87.4 360.0 44.1 17.4 15.0 96 !* 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 97 2 G D > 0 0 130 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -29.6 18.4 4.3 1.8 98 3 G E H > + 0 0 136 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.915 360.0 45.6 -68.4 -42.5 16.9 3.0 5.0 99 4 G L H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 113.0 50.2 -63.6 -44.7 16.9 6.4 6.6 100 5 G E H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.873 105.7 57.2 -65.1 -34.0 15.5 8.0 3.5 101 6 G R H X S+ 0 0 40 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.898 107.2 48.1 -60.8 -40.6 12.7 5.4 3.5 102 7 G R H X S+ 0 0 49 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.882 111.6 49.8 -68.6 -36.7 11.7 6.4 7.0 103 8 G I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.930 108.8 52.9 -64.2 -44.7 11.7 10.1 6.0 104 9 G R H X S+ 0 0 135 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.892 108.2 50.7 -56.0 -43.1 9.6 9.3 2.9 105 10 G E H X S+ 0 0 99 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.921 111.6 47.1 -62.2 -45.2 7.1 7.5 5.2 106 11 G L H X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.892 112.1 50.7 -62.8 -41.0 6.9 10.5 7.5 107 12 G E H X S+ 0 0 31 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.914 106.4 54.8 -63.9 -42.5 6.6 12.9 4.5 108 13 G A H < S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.4 38.9 -56.2 -38.7 3.7 10.8 3.1 109 14 G R H < S+ 0 0 158 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.916 126.1 31.7 -77.3 -45.8 1.9 11.2 6.4 110 15 G I H < 0 0 42 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.847 360.0 360.0 -90.8 -36.8 2.7 14.8 7.3 111 16 G K < 0 0 105 -4,-2.4 11,-0.0 -5,-0.4 0, 0.0 -0.627 360.0 360.0 -97.5 360.0 2.9 16.5 3.9 112 !* 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 0.0 113 2 H D > 0 0 62 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.5 22.3 18.5 3.8 114 3 H E H > + 0 0 137 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.932 360.0 41.7 -68.7 -50.9 19.4 17.1 1.8 115 4 H L H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 114.0 54.5 -65.4 -37.2 18.1 14.7 4.3 116 5 H E H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.916 106.2 51.5 -62.5 -42.4 18.6 17.3 7.1 117 6 H R H X S+ 0 0 35 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.905 110.4 48.4 -60.6 -42.1 16.5 19.9 5.1 118 7 H R H X S+ 0 0 48 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.889 110.6 51.0 -68.0 -37.9 13.7 17.4 4.7 119 8 H I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.905 108.4 52.7 -63.0 -40.3 13.8 16.5 8.4 120 9 H R H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.860 106.3 53.5 -63.9 -35.1 13.6 20.2 9.2 121 10 H E H X S+ 0 0 44 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.904 110.3 47.0 -66.3 -40.5 10.5 20.6 7.1 122 11 H L H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.919 111.7 50.1 -64.9 -45.3 8.8 17.8 8.9 123 12 H E H >X S+ 0 0 25 -4,-2.5 4,-2.1 1,-0.2 3,-0.6 0.899 108.9 52.7 -59.9 -40.6 9.8 19.2 12.3 124 13 H A H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 104.1 55.8 -67.1 -33.8 8.4 22.7 11.3 125 14 H R H 3< S+ 0 0 89 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.701 111.4 44.5 -75.3 -19.6 5.1 21.3 10.3 126 15 H I H << 0 0 56 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.851 360.0 360.0 -82.4 -40.7 4.7 19.7 13.8 127 16 H K < 0 0 58 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.1 0.540 360.0 360.0 -74.9 360.0 5.9 22.8 15.7 128 !* 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 0.0 129 2 I D > 0 0 53 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -28.7 23.4 9.9 14.1 130 3 I E H > + 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.920 360.0 51.1 -57.4 -44.3 21.8 13.3 14.7 131 4 I L H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.954 111.3 45.9 -60.5 -47.8 19.7 12.7 11.6 132 5 I E H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 110.3 54.0 -66.2 -38.3 18.5 9.3 12.8 133 6 I R H X S+ 0 0 37 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.910 109.0 49.2 -58.1 -42.5 17.8 10.6 16.3 134 7 I R H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.865 109.1 51.7 -70.3 -33.5 15.6 13.4 14.9 135 8 I I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.911 107.2 53.4 -68.3 -40.2 13.7 10.9 12.7 136 9 I R H X S+ 0 0 137 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.897 108.4 50.4 -59.3 -39.7 13.0 8.7 15.8 137 10 I E H X S+ 0 0 130 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.911 110.7 48.5 -67.0 -40.4 11.6 11.7 17.6 138 11 I L H X S+ 0 0 8 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.911 110.4 51.7 -62.0 -42.7 9.3 12.5 14.7 139 12 I E H X S+ 0 0 46 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.911 112.6 45.9 -61.6 -41.7 8.2 8.9 14.5 140 13 I A H >< S+ 0 0 70 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.2 0.881 109.4 56.8 -64.5 -39.4 7.3 9.0 18.2 141 14 I R H 3< S+ 0 0 166 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 109.3 40.9 -67.5 -39.0 5.6 12.4 17.9 142 15 I I H 3< 0 0 54 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.530 360.0 360.0 -90.5 -3.3 3.0 11.4 15.3 143 16 I K << 0 0 197 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.600 360.0 360.0 -90.1 360.0 2.2 8.0 16.8 144 !* 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 0.0 145 2 J D > 0 0 161 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.5 4.3 45.8 5.1 146 3 J E H > + 0 0 118 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.888 360.0 45.2 -60.3 -39.1 5.2 43.1 2.5 147 4 J L H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 109.6 55.5 -75.2 -34.0 7.5 41.4 5.0 148 5 J E H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.904 105.2 53.1 -61.5 -42.2 5.0 41.7 7.8 149 6 J R H X S+ 0 0 44 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.910 110.4 47.0 -60.1 -42.0 2.4 39.9 5.7 150 7 J R H X S+ 0 0 38 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.883 110.9 51.9 -68.2 -38.4 4.9 37.0 5.2 151 8 J I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.921 107.8 52.3 -62.7 -41.9 5.7 36.9 8.9 152 9 J R H X S+ 0 0 138 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.876 107.3 52.8 -62.4 -37.0 2.0 36.7 9.7 153 10 J E H X S+ 0 0 86 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.914 110.9 46.5 -63.9 -42.6 1.7 33.8 7.3 154 11 J L H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.926 111.1 51.8 -64.8 -45.7 4.5 31.9 9.1 155 12 J E H < S+ 0 0 38 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.871 114.3 43.6 -57.9 -39.6 3.1 32.7 12.5 156 13 J A H >< S+ 0 0 67 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.864 109.1 55.4 -75.8 -37.8 -0.3 31.3 11.5 157 14 J R H 3< S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.776 105.1 54.5 -68.1 -26.4 1.0 28.2 9.7 158 15 J I T 3< 0 0 23 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.704 360.0 360.0 -79.7 -21.5 2.9 27.1 12.8 159 16 J K < 0 0 202 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.777 360.0 360.0 -89.7 360.0 -0.1 27.2 15.1 160 !* 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 0.0 161 2 K D > 0 0 170 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.6 12.4 46.5 16.0 162 3 K E H > + 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.906 360.0 48.0 -68.5 -43.8 9.1 44.6 16.0 163 4 K L H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 114.4 46.1 -65.4 -44.5 9.5 42.9 12.6 164 5 K E H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.894 112.4 51.8 -64.6 -36.9 13.0 41.7 13.5 165 6 K R H X S+ 0 0 24 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.883 108.2 51.1 -65.5 -37.3 11.8 40.6 16.9 166 7 K R H X S+ 0 0 31 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 110.6 48.7 -68.8 -36.9 9.0 38.6 15.3 167 8 K I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.937 111.5 50.0 -61.6 -45.2 11.5 36.9 13.0 168 9 K R H X S+ 0 0 109 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.887 109.5 51.7 -60.0 -40.2 13.7 36.2 16.0 169 10 K E H X S+ 0 0 118 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.914 110.9 47.3 -62.4 -45.6 10.7 34.7 17.8 170 11 K L H X S+ 0 0 9 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.909 110.0 52.5 -61.8 -43.7 9.9 32.5 14.8 171 12 K E H X S+ 0 0 27 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.877 110.3 49.6 -61.6 -36.6 13.6 31.4 14.5 172 13 K A H < S+ 0 0 79 -4,-2.0 3,-0.2 -5,-0.2 -1,-0.2 0.875 109.4 52.4 -63.8 -39.6 13.5 30.5 18.2 173 14 K R H < S+ 0 0 138 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.769 115.8 34.5 -77.9 -27.3 10.3 28.5 17.9 174 15 K I H < 0 0 2 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.401 360.0 360.0-117.2 6.7 11.2 26.1 15.0 175 16 K K < 0 0 92 -4,-0.7 -2,-0.1 -3,-0.2 -3,-0.1 0.974 360.0 360.0 -68.1 360.0 14.9 25.6 15.8 176 !* 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 0.0 177 2 L D > 0 0 113 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -50.9 18.1 41.9 2.3 178 3 L E H > + 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.940 360.0 43.7 -66.5 -48.0 19.0 40.4 5.7 179 4 L L H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 114.8 50.5 -66.6 -37.4 15.5 40.2 7.1 180 5 L E H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 108.0 52.8 -69.3 -37.3 14.1 38.9 3.8 181 6 L R H X S+ 0 0 45 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.923 109.9 48.5 -60.9 -43.4 16.8 36.2 3.7 182 7 L R H X S+ 0 0 29 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.884 111.1 50.6 -65.3 -38.1 15.9 35.0 7.2 183 8 L I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.919 107.1 54.6 -64.0 -42.4 12.2 35.0 6.2 184 9 L R H X S+ 0 0 127 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.888 106.4 51.1 -60.2 -39.9 13.0 32.9 3.1 185 10 L E H X S+ 0 0 48 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.924 111.6 47.3 -63.8 -42.6 14.8 30.3 5.2 186 11 L L H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.907 112.0 50.7 -62.4 -42.1 11.8 30.1 7.6 187 12 L E H X S+ 0 0 30 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.889 105.5 56.2 -63.7 -40.7 9.5 29.8 4.6 188 13 L A H < S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.4 38.5 -55.0 -41.0 11.6 27.0 3.1 189 14 L R H < S+ 0 0 14 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.907 126.7 32.7 -75.8 -45.2 11.1 25.0 6.3 190 15 L I H < 0 0 8 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.837 360.0 360.0 -90.2 -37.0 7.5 25.9 7.1 191 16 L K < 0 0 72 -4,-2.8 -67,-0.0 -5,-0.3 -66,-0.0 -0.722 360.0 360.0 -98.8 360.0 6.0 26.3 3.6