==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 06-MAR-02 1L4X . COMPND 2 MOLECULE: SIN-ASP-GLU-LEU-GLU-ARG-ALA-ILE-ARG-GLU-LEU-ALA- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.MEIER,A.LUSTIG,U.AEBI,P.BURKHARD . 120 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 77.5 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 . 2 1.7 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 71.7 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 2 6 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 . 1 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 1 A D > 0 0 120 0, 0.0 4,-3.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -43.8 27.6 37.1 17.5 2 2 A E H > + 0 0 88 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.828 360.0 47.1 -65.1 -32.4 28.1 33.8 15.7 3 3 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.866 113.5 48.2 -75.5 -36.7 24.6 32.7 16.9 4 4 A E H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.920 111.8 51.5 -66.1 -41.7 23.1 36.0 15.7 5 5 A R H X S+ 0 0 138 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.942 111.6 45.4 -59.1 -48.8 25.0 35.5 12.5 6 6 A A H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.898 113.3 49.5 -62.7 -43.3 23.6 32.0 11.9 7 7 A I H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.907 110.3 52.1 -63.3 -38.6 20.1 33.2 12.8 8 8 A R H X S+ 0 0 91 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.926 108.6 50.1 -61.8 -44.3 20.5 36.0 10.4 9 9 A E H X S+ 0 0 49 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.883 112.5 47.2 -64.1 -37.1 21.6 33.6 7.7 10 10 A L H X S+ 0 0 19 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.878 108.8 53.6 -71.5 -37.9 18.5 31.4 8.3 11 11 A A H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.898 106.4 54.5 -61.1 -40.8 16.1 34.4 8.4 12 12 A A H < S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.783 104.5 54.0 -64.7 -27.5 17.5 35.4 5.0 13 13 A R H < S+ 0 0 98 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.776 110.8 45.6 -76.5 -29.7 16.7 31.9 3.6 14 14 A I H < 0 0 22 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.1 0.931 360.0 360.0 -76.5 -44.3 13.1 32.2 4.7 15 15 A K < 0 0 129 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.980 360.0 360.0 -57.2 360.0 12.9 35.8 3.3 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 1 B D > 0 0 101 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-165.2 17.0 47.5 12.6 18 2 B E H > + 0 0 104 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.946 360.0 42.5 -60.5 -47.9 13.8 45.8 13.7 19 3 B L H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 112.2 52.2 -64.8 -48.9 14.9 42.4 12.4 20 4 B E H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 112.8 47.2 -57.9 -33.8 18.5 42.7 13.7 21 5 B R H X S+ 0 0 132 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.858 109.1 51.6 -76.5 -37.9 17.0 43.5 17.1 22 6 B A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.941 112.5 48.0 -61.1 -44.1 14.5 40.7 17.1 23 7 B I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.886 108.3 53.6 -63.6 -40.3 17.5 38.4 16.2 24 8 B R H X S+ 0 0 155 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.937 110.4 47.8 -59.7 -46.8 19.5 39.9 19.0 25 9 B E H X S+ 0 0 69 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.929 111.8 49.5 -60.5 -45.3 16.7 39.1 21.4 26 10 B L H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.942 111.1 47.7 -60.4 -48.4 16.3 35.5 20.1 27 11 B A H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.888 110.4 54.8 -60.3 -39.4 20.1 34.8 20.4 28 12 B A H < S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.909 110.4 43.9 -59.8 -46.7 20.0 36.2 23.9 29 13 B R H < S+ 0 0 108 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.874 111.3 54.2 -68.1 -39.4 17.2 33.9 25.1 30 14 B I H < 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 86,-0.2 0.965 360.0 360.0 -59.2 -51.0 18.8 30.9 23.5 31 15 B K < 0 0 142 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.789 360.0 360.0 -69.1 360.0 22.1 31.4 25.3 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 1 C D > 0 0 81 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 116.9 6.8 42.1 9.5 34 2 C E H > + 0 0 58 1,-0.2 4,-2.2 2,-0.2 24,-0.2 0.852 360.0 52.1 -58.6 -33.5 5.7 38.5 9.8 35 3 C L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.957 107.8 46.9 -69.7 -53.4 9.3 37.4 10.1 36 4 C E H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 114.3 50.9 -55.9 -39.1 10.4 39.8 12.8 37 5 C R H X S+ 0 0 105 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.942 106.8 51.0 -67.5 -46.6 7.3 38.8 14.7 38 6 C A H X S+ 0 0 12 -4,-2.2 4,-1.7 16,-0.2 -2,-0.2 0.931 111.9 50.9 -56.7 -39.6 7.9 35.0 14.4 39 7 C I H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.928 113.4 42.7 -66.1 -43.8 11.4 35.6 15.7 40 8 C R H X S+ 0 0 88 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.911 113.4 50.7 -67.8 -42.7 10.2 37.7 18.8 41 9 C E H X S+ 0 0 53 -4,-3.4 4,-0.5 2,-0.2 -1,-0.2 0.826 111.6 50.4 -65.6 -27.2 7.3 35.3 19.6 42 10 C L H >X S+ 0 0 32 -4,-1.7 3,-1.8 -5,-0.3 4,-1.0 0.953 107.5 52.4 -70.9 -51.8 9.8 32.4 19.4 43 11 C A H >< S+ 0 0 2 -4,-2.3 3,-0.5 1,-0.3 -2,-0.2 0.832 105.4 57.2 -50.2 -37.6 12.2 34.3 21.7 44 12 C A H 3< S+ 0 0 80 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.681 107.7 46.0 -68.9 -22.4 9.3 34.7 24.2 45 13 C R H << S+ 0 0 67 -3,-1.8 66,-2.9 -4,-0.5 2,-0.6 0.534 85.6 109.2 -99.2 -6.5 8.7 30.9 24.4 46 14 C I B << A 110 0A 13 -4,-1.0 64,-0.2 -3,-0.5 63,-0.0 -0.574 360.0 360.0 -75.5 115.8 12.4 29.9 24.8 47 15 C K 0 0 79 62,-3.1 -2,-0.1 -2,-0.6 -1,-0.0 -0.431 360.0 360.0 -82.0 360.0 13.1 28.7 28.3 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 1 D D > 0 0 107 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 18.9 -1.5 30.5 20.5 50 2 D E H > + 0 0 116 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.931 360.0 40.5 -59.3 -50.3 0.7 33.6 19.8 51 3 D L H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.949 114.8 53.6 -65.2 -47.8 3.7 31.7 18.4 52 4 D E H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.920 112.2 43.8 -52.9 -46.4 1.5 29.3 16.6 53 5 D R H X S+ 0 0 128 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.898 111.4 53.5 -68.4 -40.1 -0.3 32.3 14.9 54 6 D A H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -16,-0.2 0.930 112.0 45.4 -58.5 -44.8 2.9 34.1 14.1 55 7 D I H X S+ 0 0 16 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.929 112.3 51.3 -64.7 -46.3 4.3 30.9 12.4 56 8 D R H X S+ 0 0 85 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.898 111.5 48.0 -56.0 -43.6 1.1 30.4 10.5 57 9 D E H X S+ 0 0 80 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.887 109.9 50.9 -69.6 -37.2 1.1 33.9 9.3 58 10 D L H X S+ 0 0 8 -4,-2.0 4,-2.2 -24,-0.2 -2,-0.2 0.935 111.9 47.5 -66.4 -43.7 4.8 33.8 8.2 59 11 D A H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.926 109.3 54.1 -62.7 -43.7 4.2 30.6 6.2 60 12 D A H < S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 111.4 45.7 -58.2 -37.9 1.0 32.1 4.6 61 13 D R H < S+ 0 0 148 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 107.7 57.1 -73.7 -37.4 3.1 35.1 3.4 62 14 D I H < 0 0 38 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.861 360.0 360.0 -61.7 -38.2 5.9 33.0 2.1 63 15 D K < 0 0 163 -4,-1.9 10,-0.0 -5,-0.1 0, 0.0 -0.432 360.0 360.0-101.5 360.0 3.7 31.0 -0.2 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 1 E D > 0 0 106 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.5 -1.9 20.0 11.5 66 2 E E H > + 0 0 96 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.865 360.0 46.6 -62.1 -36.1 -2.2 23.5 10.2 67 3 E L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 112.2 50.6 -72.5 -36.8 0.7 24.5 12.4 68 4 E E H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.925 109.9 50.8 -65.4 -40.3 2.6 21.4 11.3 69 5 E R H X S+ 0 0 100 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.902 110.5 49.1 -63.3 -40.0 2.0 22.3 7.7 70 6 E A H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.910 110.7 48.8 -68.2 -41.7 3.3 25.9 8.3 71 7 E I H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.910 110.8 52.0 -65.0 -37.2 6.4 24.6 10.0 72 8 E R H X S+ 0 0 87 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.871 108.5 50.7 -64.7 -37.5 7.1 22.2 7.1 73 9 E E H X S+ 0 0 53 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.882 112.3 46.4 -70.4 -37.3 6.7 25.0 4.6 74 10 E L H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.862 112.5 50.4 -70.9 -35.9 9.2 27.2 6.5 75 11 E A H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.925 110.5 48.6 -66.8 -44.9 11.6 24.2 6.8 76 12 E A H < S+ 0 0 60 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 109.8 54.8 -61.2 -38.4 11.4 23.5 3.1 77 13 E R H < S+ 0 0 101 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.905 110.2 44.4 -62.1 -43.0 12.0 27.2 2.5 78 14 E I H < 0 0 21 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 360.0 360.0 -67.5 -45.7 15.2 27.1 4.6 79 15 E K < 0 0 122 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.787 360.0 360.0 -68.2 360.0 16.6 24.0 3.1 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 1 F D > 0 0 109 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 132.1 10.1 10.4 8.1 82 2 F E H > + 0 0 94 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.817 360.0 51.4 -71.0 -30.8 12.4 11.8 10.7 83 3 F L H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 109.6 50.4 -71.6 -42.5 11.9 15.4 9.7 84 4 F E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.893 112.0 47.3 -61.3 -39.0 8.1 14.9 9.8 85 5 F R H X S+ 0 0 121 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.851 110.1 52.4 -72.5 -33.5 8.3 13.5 13.3 86 6 F A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.918 111.2 47.6 -66.1 -41.4 10.6 16.3 14.5 87 7 F I H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.886 108.3 54.3 -66.6 -39.8 8.1 18.8 13.2 88 8 F R H X S+ 0 0 106 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.906 109.1 49.6 -59.9 -42.1 5.2 17.0 14.9 89 9 F E H X S+ 0 0 76 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.899 111.1 48.3 -65.1 -44.2 7.1 17.2 18.2 90 10 F L H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.914 111.9 49.6 -63.5 -42.0 7.8 21.0 17.8 91 11 F A H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.899 110.5 50.3 -65.7 -39.5 4.1 21.7 16.9 92 12 F A H < S+ 0 0 44 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.881 112.2 47.7 -63.5 -40.3 3.0 19.7 20.0 93 13 F R H < S+ 0 0 109 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.899 112.0 48.8 -69.4 -40.8 5.4 21.7 22.2 94 14 F I H < 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -42,-0.2 0.941 360.0 360.0 -64.2 -46.0 4.3 25.0 20.8 95 15 F K < 0 0 132 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.570 360.0 360.0 -71.6 360.0 0.6 24.2 21.2 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 1 G D > 0 0 120 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-107.5 20.5 15.7 9.9 98 2 G E H > + 0 0 46 1,-0.2 4,-2.3 2,-0.2 24,-0.2 0.906 360.0 44.6 -59.5 -44.6 21.1 19.4 10.7 99 3 G L H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 113.8 48.2 -66.6 -47.7 17.5 20.6 10.1 100 4 G E H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 114.1 48.6 -58.6 -44.3 15.8 17.8 11.9 101 5 G R H X S+ 0 0 94 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.902 108.1 52.0 -65.1 -44.1 18.1 18.3 14.9 102 6 G A H X S+ 0 0 8 -4,-2.3 4,-1.9 16,-0.3 -1,-0.2 0.937 110.7 50.4 -57.9 -45.0 17.6 22.1 15.0 103 7 G I H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.900 113.7 44.3 -61.6 -40.3 13.8 21.5 15.1 104 8 G R H X S+ 0 0 87 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.865 112.3 50.6 -72.6 -38.8 14.1 19.0 17.9 105 9 G E H X S+ 0 0 50 -4,-3.0 4,-0.7 2,-0.2 -1,-0.2 0.823 111.9 49.6 -70.3 -24.6 16.5 21.1 19.9 106 10 G L H >X S+ 0 0 31 -4,-1.9 3,-1.5 -5,-0.3 4,-0.9 0.959 108.0 52.8 -73.7 -50.9 14.1 24.0 19.5 107 11 G A H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.3 -2,-0.2 0.868 104.9 56.0 -50.9 -41.3 11.2 21.9 20.6 108 12 G A H 3< S+ 0 0 77 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.777 109.0 47.2 -64.1 -25.5 13.2 20.9 23.8 109 13 G R H << S+ 0 0 61 -3,-1.5 -62,-3.1 -4,-0.7 2,-0.4 0.532 84.6 107.4 -94.1 -6.0 13.6 24.6 24.7 110 14 G I B << A 46 0A 14 -4,-0.9 -64,-0.2 -3,-0.9 -65,-0.0 -0.595 360.0 360.0 -76.1 125.2 10.0 25.6 24.1 111 15 G K 0 0 80 -66,-2.9 -2,-0.1 -2,-0.4 -1,-0.0 -0.623 360.0 360.0 -91.1 360.0 8.2 26.3 27.5 112 !* 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 1 H D > 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 16.8 24.3 25.3 24.3 114 2 H E H > + 0 0 115 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.891 360.0 42.2 -64.9 -46.4 22.5 22.4 22.4 115 3 H L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 114.2 54.7 -67.5 -45.4 20.0 24.6 20.6 116 4 H E H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.891 111.2 42.8 -55.0 -43.6 22.8 27.2 19.9 117 5 H R H X S+ 0 0 121 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.890 111.2 54.7 -72.8 -37.5 25.1 24.6 18.3 118 6 H A H X S+ 0 0 2 -4,-2.0 4,-1.4 2,-0.2 -16,-0.3 0.871 111.6 45.9 -61.9 -38.0 22.3 22.9 16.3 119 7 H I H X S+ 0 0 19 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.925 113.0 47.8 -72.0 -44.8 21.4 26.3 14.8 120 8 H R H X S+ 0 0 86 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.902 112.7 49.2 -65.6 -33.9 25.0 27.3 14.0 121 9 H E H X S+ 0 0 87 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.846 111.4 50.4 -72.5 -30.5 25.6 23.9 12.3 122 10 H L H X S+ 0 0 5 -4,-1.4 4,-2.4 -5,-0.2 3,-0.4 0.950 109.8 49.2 -70.0 -49.2 22.4 24.2 10.3 123 11 H A H X S+ 0 0 2 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.903 109.8 52.4 -57.8 -38.8 23.4 27.7 9.1 124 12 H A H < S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 112.8 46.0 -65.1 -32.4 26.9 26.4 8.1 125 13 H R H < S+ 0 0 93 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.840 127.5 24.1 -78.3 -37.1 25.3 23.6 6.1 126 14 H I H < 0 0 15 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.1 0.181 360.0 360.0-120.2 20.6 22.6 25.7 4.3 127 15 H K < 0 0 157 -4,-1.3 -117,-0.1 -5,-0.1 -121,-0.0 -0.146 360.0 360.0 -64.3 360.0 23.8 29.4 4.2