==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 17-MAR-11 3R4A . COMPND 2 MOLECULE: COILED COIL HELIX CC-TET; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.R.ZACCAI,B.H.C.CHI,D.N.WOOLFSON,R.L.BRADY . 117 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 84.6 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 82.1 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 1 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 1 A G > 0 0 92 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 50.7 3.0 -44.6 -13.2 2 2 A E H > + 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.808 360.0 55.6 -66.8 -37.8 0.3 -42.6 -15.0 3 3 A L H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.936 109.3 47.4 -65.1 -46.0 -2.7 -43.0 -12.7 4 4 A A H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 112.3 51.1 -58.0 -41.3 -0.7 -41.7 -9.7 5 5 A A H X S+ 0 0 42 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.896 110.2 48.0 -67.1 -42.0 0.5 -38.7 -11.9 6 6 A I H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.945 109.9 53.7 -60.9 -47.4 -3.0 -37.9 -13.0 7 7 A K H X S+ 0 0 66 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.929 110.4 47.0 -52.3 -48.0 -4.2 -38.1 -9.3 8 8 A Q H X S+ 0 0 121 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.878 110.0 51.9 -63.5 -40.2 -1.4 -35.6 -8.3 9 9 A E H X S+ 0 0 65 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.927 111.4 48.9 -60.9 -41.0 -2.3 -33.2 -11.2 10 10 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.905 107.4 53.4 -67.0 -41.2 -6.0 -33.4 -10.0 11 11 A A H X S+ 0 0 20 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.890 110.3 48.4 -60.4 -40.1 -5.1 -32.7 -6.4 12 12 A A H X S+ 0 0 57 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.860 110.4 50.2 -68.7 -38.0 -3.1 -29.6 -7.5 13 13 A I H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.907 109.3 53.4 -65.0 -41.8 -6.0 -28.4 -9.6 14 14 A K H X S+ 0 0 50 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.945 109.0 47.8 -54.9 -52.0 -8.3 -28.9 -6.6 15 15 A K H X S+ 0 0 144 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.823 110.5 52.0 -63.1 -32.8 -6.1 -26.7 -4.4 16 16 A E H X S+ 0 0 67 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.845 107.0 53.4 -71.1 -35.6 -5.9 -24.0 -7.1 17 17 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.887 107.5 50.5 -65.5 -39.7 -9.7 -24.0 -7.3 18 18 A A H X S+ 0 0 9 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.886 110.7 49.9 -63.6 -36.8 -10.0 -23.5 -3.5 19 19 A A H X S+ 0 0 40 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.885 111.7 47.4 -71.4 -37.3 -7.5 -20.6 -3.8 20 20 A I H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.854 110.4 53.5 -65.3 -40.7 -9.5 -19.0 -6.6 21 21 A K H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 109.1 48.1 -61.2 -44.3 -12.7 -19.5 -4.6 22 22 A W H X S+ 0 0 169 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.908 112.5 48.7 -65.5 -41.6 -11.1 -17.7 -1.6 23 23 A E H >< S+ 0 0 76 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.939 109.1 53.8 -61.3 -48.8 -10.0 -14.8 -3.8 24 24 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.913 104.4 53.8 -48.9 -51.8 -13.5 -14.6 -5.4 25 25 A A H 3< S+ 0 0 54 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.752 103.5 58.5 -58.8 -23.9 -15.1 -14.3 -2.0 26 26 A A T << S+ 0 0 67 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.555 76.6 127.6 -83.6 -7.0 -12.8 -11.3 -1.3 27 27 A I < 0 0 30 -3,-2.0 -3,-0.0 -4,-0.4 30,-0.0 -0.307 360.0 360.0 -62.8 124.6 -14.1 -9.4 -4.3 28 28 A K 0 0 226 -2,-0.1 -1,-0.1 29,-0.0 -3,-0.0 -0.534 360.0 360.0 64.8 360.0 -15.2 -5.8 -3.4 29 !* 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 30 1 B G > 0 0 89 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-100.1 -4.1 -42.6 -26.7 31 2 B E H > + 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.858 360.0 56.6 -63.7 -35.9 -6.8 -41.9 -24.2 32 3 B L H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 104.8 50.3 -61.5 -43.5 -3.9 -41.1 -21.8 33 4 B A H > S+ 0 0 47 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.811 110.3 49.8 -65.4 -33.2 -2.6 -38.5 -24.3 34 5 B A H X S+ 0 0 20 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.880 106.7 55.4 -71.5 -40.7 -6.1 -36.9 -24.5 35 6 B I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.928 106.8 50.9 -54.3 -46.7 -6.3 -36.8 -20.7 36 7 B K H X S+ 0 0 128 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.824 107.6 53.7 -61.5 -34.8 -3.0 -34.8 -20.7 37 8 B Q H X S+ 0 0 129 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.854 110.6 45.5 -67.5 -40.3 -4.4 -32.4 -23.3 38 9 B E H X S+ 0 0 34 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.906 110.7 53.6 -68.7 -43.6 -7.4 -31.7 -21.1 39 10 B L H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.925 111.8 45.8 -54.9 -45.6 -5.2 -31.4 -18.0 40 11 B A H X S+ 0 0 41 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.858 112.2 50.7 -64.5 -39.4 -3.1 -28.8 -19.9 41 12 B A H X S+ 0 0 22 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.863 108.0 53.0 -69.4 -36.1 -6.3 -27.0 -21.1 42 13 B I H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 107.0 52.1 -62.3 -45.4 -7.6 -26.8 -17.6 43 14 B K H X S+ 0 0 99 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.863 107.2 53.5 -58.7 -38.4 -4.4 -25.2 -16.4 44 15 B K H X S+ 0 0 148 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.905 109.8 47.0 -61.5 -45.0 -4.8 -22.6 -19.2 45 16 B E H X S+ 0 0 34 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.906 110.7 52.9 -64.3 -40.8 -8.3 -21.8 -18.0 46 17 B L H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 110.0 47.4 -60.0 -45.6 -7.0 -21.6 -14.4 47 18 B A H X S+ 0 0 43 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 110.0 53.3 -61.0 -41.1 -4.3 -19.1 -15.4 48 19 B A H X S+ 0 0 27 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.925 109.9 48.4 -58.8 -45.0 -6.9 -17.1 -17.4 49 20 B I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.928 109.2 51.8 -62.8 -45.8 -9.0 -16.9 -14.2 50 21 B K H X S+ 0 0 96 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.913 110.9 49.4 -57.7 -41.2 -6.0 -15.8 -12.1 51 22 B W H X S+ 0 0 187 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.866 109.8 49.9 -69.8 -34.3 -5.3 -13.1 -14.5 52 23 B E H X S+ 0 0 36 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 111.2 50.1 -66.1 -42.1 -8.9 -11.9 -14.6 53 24 B L H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.847 108.4 52.5 -63.1 -36.6 -8.9 -11.8 -10.7 54 25 B A H X S+ 0 0 59 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.899 110.7 47.3 -67.7 -40.2 -5.7 -9.8 -10.7 55 26 B A H X S+ 0 0 39 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.917 111.5 51.0 -64.1 -45.1 -7.2 -7.2 -13.1 56 27 B I H < S+ 0 0 27 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.940 111.1 47.2 -59.5 -48.0 -10.4 -7.0 -11.0 57 28 B K H < S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.0 53.0 -58.7 -37.0 -8.4 -6.5 -7.8 58 29 B Q H < 0 0 163 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.808 360.0 360.0 -72.4 -34.6 -6.4 -3.8 -9.6 59 30 B G < 0 0 99 -4,-2.1 -3,-0.1 -3,-0.2 29,-0.0 0.176 360.0 360.0-104.7 360.0 -9.3 -1.8 -10.8 60 !* 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 61 1 C G 0 0 66 0, 0.0 2,-0.3 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 -46.1 -12.4 -47.4 -14.2 62 2 C E > - 0 0 100 1,-0.1 4,-1.4 32,-0.0 5,-0.1 -0.794 360.0-140.1-108.7 149.2 -11.9 -46.1 -17.7 63 3 C L H > S+ 0 0 59 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.770 104.6 61.5 -72.5 -28.5 -9.6 -43.4 -19.0 64 4 C A H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.880 102.3 51.6 -65.7 -36.9 -12.4 -42.2 -21.3 65 5 C A H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.924 111.3 46.1 -63.4 -47.8 -14.6 -41.4 -18.3 66 6 C I H X S+ 0 0 2 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.925 111.9 52.6 -57.9 -46.0 -11.8 -39.4 -16.7 67 7 C K H X S+ 0 0 52 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 110.7 46.9 -57.3 -47.5 -11.2 -37.6 -20.0 68 8 C Q H X S+ 0 0 112 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.904 111.0 51.4 -61.4 -44.4 -14.9 -36.7 -20.2 69 9 C E H X S+ 0 0 64 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.909 111.2 48.7 -59.0 -42.4 -14.9 -35.5 -16.6 70 10 C L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.869 108.5 53.1 -67.4 -37.5 -11.9 -33.3 -17.4 71 11 C A H X S+ 0 0 16 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.880 110.1 48.6 -64.0 -38.2 -13.5 -31.9 -20.5 72 12 C A H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.884 110.8 50.2 -68.5 -38.7 -16.5 -30.9 -18.5 73 13 C I H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.902 107.9 53.9 -66.2 -39.1 -14.3 -29.3 -15.8 74 14 C K H X S+ 0 0 49 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 109.2 48.0 -60.9 -42.1 -12.5 -27.3 -18.5 75 15 C K H X S+ 0 0 139 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.901 109.0 53.5 -65.0 -41.6 -15.8 -26.0 -19.9 76 16 C E H X S+ 0 0 84 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.945 110.5 47.6 -56.2 -49.6 -16.9 -25.0 -16.4 77 17 C L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.898 107.9 54.2 -59.4 -45.6 -13.7 -23.1 -15.9 78 18 C A H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 109.6 49.2 -55.5 -43.1 -14.0 -21.3 -19.3 79 19 C A H X S+ 0 0 52 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.931 110.5 48.9 -63.9 -46.6 -17.5 -20.2 -18.2 80 20 C I H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.944 109.9 53.5 -54.9 -48.0 -16.2 -18.9 -14.9 81 21 C K H X S+ 0 0 34 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.923 110.5 45.9 -52.5 -48.9 -13.4 -17.1 -16.8 82 22 C W H X S+ 0 0 168 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.902 110.8 52.5 -63.5 -42.2 -16.0 -15.3 -19.0 83 23 C E H X S+ 0 0 83 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.891 110.2 48.8 -60.4 -40.8 -18.2 -14.4 -16.1 84 24 C L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.839 106.6 55.6 -68.8 -34.6 -15.2 -12.9 -14.3 85 25 C A H X S+ 0 0 11 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.891 107.2 51.4 -63.2 -37.5 -14.2 -10.9 -17.5 86 26 C A H < S+ 0 0 54 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.873 108.6 50.3 -67.1 -37.6 -17.7 -9.5 -17.4 87 27 C I H < S+ 0 0 54 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.902 100.5 63.1 -65.5 -41.0 -17.3 -8.5 -13.8 88 28 C K H < S+ 0 0 92 -4,-2.3 2,-0.9 1,-0.2 -1,-0.2 0.782 98.0 64.8 -54.4 -27.0 -14.0 -6.8 -14.7 89 29 C Q < 0 0 143 -4,-0.8 -1,-0.2 -3,-0.5 -33,-0.0 -0.796 360.0 360.0-100.5 92.8 -16.2 -4.5 -16.8 90 30 C G 0 0 121 -2,-0.9 -3,-0.0 0, 0.0 -4,-0.0 -0.725 360.0 360.0-151.0 360.0 -18.4 -2.6 -14.4 91 !* 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 92 1 D G 0 0 64 0, 0.0 -85,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-177.8 -2.4 -45.5 -8.3 93 2 D E > + 0 0 108 -86,-0.1 4,-2.1 -87,-0.0 5,-0.1 0.555 360.0 169.8-155.9 174.6 -5.2 -45.2 -8.1 94 3 D L H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.935 103.6 47.4 -65.8 -51.2 -8.7 -45.2 -9.7 95 4 D A H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.872 112.9 51.3 -55.6 -40.1 -10.6 -44.7 -6.5 96 5 D A H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.897 107.7 51.0 -67.9 -41.7 -8.2 -41.9 -5.6 97 6 D I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.896 107.9 54.1 -61.6 -39.6 -8.7 -40.2 -9.0 98 7 D K H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.899 107.1 50.6 -61.4 -42.1 -12.5 -40.4 -8.4 99 8 D Q H X S+ 0 0 127 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.873 109.4 50.1 -64.9 -41.3 -12.2 -38.6 -5.1 100 9 D E H X S+ 0 0 28 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.896 111.0 49.9 -61.4 -43.2 -10.1 -35.7 -6.5 101 10 D L H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 111.9 47.6 -60.9 -46.1 -12.7 -35.3 -9.3 102 11 D A H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 112.3 49.7 -60.5 -45.5 -15.5 -35.2 -6.8 103 12 D A H X S+ 0 0 30 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.880 110.9 50.4 -61.2 -39.6 -13.5 -32.7 -4.6 104 13 D I H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.930 108.1 51.8 -64.3 -46.0 -12.9 -30.5 -7.7 105 14 D K H X S+ 0 0 92 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.887 109.1 51.0 -59.4 -40.4 -16.6 -30.5 -8.6 106 15 D K H X S+ 0 0 153 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.851 108.6 50.5 -66.7 -35.9 -17.5 -29.4 -5.1 107 16 D E H X S+ 0 0 42 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.871 109.2 52.4 -69.0 -35.2 -15.0 -26.5 -5.2 108 17 D L H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.921 109.0 50.0 -64.1 -41.6 -16.5 -25.5 -8.5 109 18 D A H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.904 109.2 50.5 -64.3 -40.8 -20.0 -25.6 -6.9 110 19 D A H X S+ 0 0 30 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 110.9 50.3 -60.8 -40.7 -18.7 -23.4 -4.0 111 20 D I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.909 107.1 53.2 -61.8 -44.7 -17.3 -21.0 -6.7 112 21 D K H X S+ 0 0 144 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.915 108.5 52.6 -53.4 -45.6 -20.7 -21.0 -8.4 113 22 D W H X S+ 0 0 197 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.932 109.6 46.4 -52.4 -53.7 -22.1 -20.0 -5.0 114 23 D E H X S+ 0 0 59 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.888 110.0 53.9 -62.9 -40.8 -19.8 -17.1 -4.6 115 24 D L H X S+ 0 0 6 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.869 107.6 50.6 -62.0 -39.4 -20.4 -15.9 -8.2 116 25 D A H X S+ 0 0 62 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.900 110.4 50.4 -63.3 -40.3 -24.2 -15.8 -7.5 117 26 D A H < S+ 0 0 41 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.865 109.0 50.5 -67.7 -38.7 -23.6 -13.8 -4.3 118 27 D I H < S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.0 44.6 -64.2 -43.0 -21.4 -11.3 -6.1 119 28 D K H < 0 0 177 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.854 360.0 360.0 -66.6 -35.2 -24.1 -10.8 -8.8 120 29 D Q < 0 0 193 -4,-2.2 -3,-0.0 -5,-0.2 -4,-0.0 -0.254 360.0 360.0 -57.5 360.0 -26.7 -10.7 -6.0