==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 03-AUG-10 3O8I . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.OTTMANN,R.ROSE,M.KAISER,P.KUHENNE . 226 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 77.9 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 0 0 0 0 0 0 0 1 1 0 0 2 0 1 0 0 2 0 0 0 1 0 0 0 1 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 M > 0 0 96 0, 0.0 3,-1.6 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 -0.1 -41.3 -12.1 -8.7 2 -1 A G T 3 + 0 0 68 1,-0.3 0, 0.0 32,-0.0 0, 0.0 0.779 360.0 51.7 -67.8 -25.1 -44.1 -14.6 -9.4 3 0 A S T 3 S+ 0 0 129 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.472 93.9 90.7 -89.2 -1.4 -44.6 -13.6 -13.0 4 1 A M S < S- 0 0 42 -3,-1.6 5,-0.0 1,-0.1 0, 0.0 -0.785 83.2-107.9-100.4 143.3 -40.9 -14.0 -14.0 5 2 A E > - 0 0 145 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.288 24.1-122.7 -63.3 140.6 -39.3 -17.2 -15.4 6 3 A R H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.909 113.4 52.4 -47.1 -47.7 -36.9 -19.1 -12.9 7 4 A A H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 108.2 50.7 -60.4 -39.0 -34.0 -18.9 -15.5 8 5 A S H > S+ 0 0 44 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.874 108.4 51.9 -65.2 -42.8 -34.5 -15.1 -15.9 9 6 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.901 110.9 47.8 -56.8 -45.0 -34.4 -14.6 -12.0 10 7 A I H X S+ 0 0 12 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.938 111.8 49.7 -66.3 -46.8 -31.1 -16.5 -11.8 11 8 A Q H X S+ 0 0 128 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.921 112.6 47.6 -55.3 -46.5 -29.6 -14.5 -14.7 12 9 A K H X S+ 0 0 89 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.846 104.9 58.9 -67.2 -34.3 -30.7 -11.2 -13.0 13 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.897 107.2 48.3 -57.4 -39.0 -29.2 -12.3 -9.7 14 11 A K H X S+ 0 0 78 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.864 110.5 50.4 -70.0 -40.4 -25.8 -12.6 -11.5 15 12 A L H X S+ 0 0 96 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.895 110.0 50.5 -58.0 -47.0 -26.2 -9.1 -13.1 16 13 A A H <>S+ 0 0 8 -4,-2.6 5,-2.6 1,-0.2 4,-0.5 0.895 106.8 54.9 -64.3 -41.2 -27.0 -7.6 -9.6 17 14 A E H ><5S+ 0 0 69 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.944 109.0 47.0 -52.0 -51.3 -23.9 -9.3 -8.1 18 15 A Q H 3<5S+ 0 0 159 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.860 114.7 47.6 -60.4 -34.1 -21.6 -7.6 -10.8 19 16 A A T 3<5S- 0 0 68 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.434 111.7-121.4 -87.5 -0.7 -23.3 -4.2 -10.2 20 17 A E T < 5 + 0 0 145 -3,-1.3 2,-0.8 -4,-0.5 -3,-0.2 0.841 65.0 141.8 56.4 40.1 -23.0 -4.5 -6.4 21 18 A R >< + 0 0 144 -5,-2.6 4,-2.1 1,-0.2 -1,-0.2 -0.695 17.8 167.1-106.1 80.1 -26.8 -4.3 -5.9 22 19 A Y H > + 0 0 68 -2,-0.8 4,-2.0 1,-0.2 32,-0.2 0.781 69.2 56.0 -73.9 -32.9 -27.2 -6.8 -3.0 23 20 A E H > S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 112.6 44.0 -59.8 -46.4 -30.8 -6.0 -1.9 24 21 A D H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 110.8 55.7 -60.2 -47.5 -32.0 -6.6 -5.6 25 22 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 109.0 47.8 -51.3 -45.9 -29.8 -9.8 -5.7 26 23 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 24,-0.2 -2,-0.2 0.901 109.7 51.1 -65.3 -40.2 -31.5 -11.2 -2.6 27 24 A A H X S+ 0 0 43 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.894 110.4 49.8 -65.7 -40.7 -35.0 -10.4 -3.9 28 25 A F H X S+ 0 0 37 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 112.2 47.0 -61.2 -45.0 -34.2 -12.2 -7.2 29 26 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.851 108.8 54.2 -68.8 -34.5 -32.9 -15.4 -5.3 30 27 A K H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.921 108.8 50.3 -61.0 -44.5 -35.9 -15.5 -3.0 31 28 A G H < S+ 0 0 5 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.912 111.0 48.9 -53.5 -48.9 -38.1 -15.5 -6.1 32 29 A A H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 5,-0.4 0.908 109.8 50.6 -61.2 -46.0 -36.1 -18.4 -7.5 33 30 A V H >< S+ 0 0 11 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.936 104.6 58.0 -55.6 -47.7 -36.3 -20.4 -4.3 34 31 A E T 3< S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.557 85.4 79.3 -66.8 -7.1 -40.2 -20.0 -4.2 35 32 A K T < S- 0 0 71 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.691 102.7-129.6 -67.2 -20.5 -40.4 -21.6 -7.6 36 33 A G < + 0 0 48 -3,-2.2 2,-0.1 -4,-0.3 -2,-0.1 0.354 62.8 123.2 91.1 -6.9 -40.1 -24.9 -5.7 37 34 A E - 0 0 122 -5,-0.4 -1,-0.3 1,-0.1 2,-0.1 -0.510 68.5 -95.1 -82.7 157.9 -37.3 -26.7 -7.5 38 35 A E - 0 0 123 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.424 42.7-116.9 -64.8 146.0 -34.0 -28.0 -5.8 39 36 A L - 0 0 10 -2,-0.1 -1,-0.1 62,-0.1 2,-0.0 -0.666 17.3-134.0 -91.4 142.0 -30.9 -25.6 -6.0 40 37 A S > - 0 0 54 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.232 35.6 -97.4 -73.0 173.2 -27.7 -26.5 -7.8 41 38 A C H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.903 125.9 48.2 -61.2 -46.2 -24.2 -25.7 -6.1 42 39 A E H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 111.8 51.0 -61.9 -40.5 -23.8 -22.4 -8.0 43 40 A E H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.909 107.5 52.1 -64.0 -43.2 -27.4 -21.3 -7.1 44 41 A R H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.862 110.1 50.6 -57.7 -39.2 -26.9 -22.1 -3.2 45 42 A N H X S+ 0 0 59 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.893 107.8 50.9 -71.1 -36.8 -23.8 -19.9 -3.4 46 43 A L H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.900 111.3 49.1 -60.2 -44.3 -25.7 -17.0 -5.1 47 44 A L H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.931 113.7 46.4 -63.0 -44.9 -28.4 -17.2 -2.3 48 45 A S H X S+ 0 0 28 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.938 111.7 49.6 -63.5 -49.8 -25.7 -17.2 0.4 49 46 A V H X S+ 0 0 10 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.925 111.0 51.1 -56.3 -46.6 -23.6 -14.3 -1.1 50 47 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -24,-0.2 0.963 115.7 37.7 -59.3 -59.1 -26.8 -12.0 -1.5 51 48 A Y H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.837 112.7 57.0 -64.3 -32.5 -28.2 -12.4 2.1 52 49 A K H X S+ 0 0 27 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.911 108.5 47.3 -67.4 -40.6 -24.7 -12.3 3.8 53 50 A N H X S+ 0 0 56 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.920 114.0 47.7 -60.2 -46.3 -23.9 -8.9 2.2 54 51 A V H X S+ 0 0 23 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.972 117.7 40.1 -62.9 -50.6 -27.4 -7.5 3.2 55 52 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.780 110.3 60.7 -71.1 -25.0 -27.2 -8.7 6.8 56 53 A G H X S+ 0 0 28 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.913 105.0 47.8 -66.3 -42.7 -23.4 -7.8 7.0 57 54 A G H X S+ 0 0 49 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.887 112.6 49.6 -62.5 -40.7 -24.2 -4.1 6.3 58 55 A Q H X S+ 0 0 29 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.891 109.6 50.2 -66.8 -43.5 -27.0 -4.1 8.9 59 56 A R H X S+ 0 0 19 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.894 109.9 50.2 -60.9 -45.1 -24.7 -5.7 11.6 60 57 A A H X S+ 0 0 49 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.895 112.7 47.3 -65.4 -35.9 -21.9 -3.2 11.1 61 58 A A H X S+ 0 0 40 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.918 109.4 53.1 -65.4 -46.0 -24.4 -0.2 11.4 62 59 A W H X S+ 0 0 48 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.868 109.6 50.4 -55.4 -37.0 -26.1 -1.8 14.6 63 60 A R H X S+ 0 0 73 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.881 108.7 49.4 -74.7 -39.1 -22.6 -1.9 16.2 64 61 A V H X S+ 0 0 92 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.944 116.2 44.5 -57.2 -49.0 -21.7 1.7 15.4 65 62 A L H X S+ 0 0 23 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.914 110.7 52.1 -68.0 -45.0 -25.0 2.8 16.9 66 63 A S H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.874 110.0 51.5 -54.9 -42.0 -24.8 0.6 20.1 67 64 A S H < S+ 0 0 89 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.904 109.9 47.7 -62.4 -45.4 -21.4 2.0 20.7 68 65 A I H < S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.963 112.6 49.5 -58.5 -47.5 -22.7 5.6 20.4 69 66 A E H < 0 0 65 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.862 360.0 360.0 -60.7 -41.6 -25.6 4.8 22.8 70 67 A Q < 0 0 210 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.721 360.0 360.0 91.1 360.0 -23.2 3.2 25.3 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 78 A G 0 0 112 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 130.3 -32.8 12.5 24.4 73 79 A P > + 0 0 56 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.417 360.0 99.0 -81.7 0.1 -34.4 9.4 22.9 74 80 A E H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.862 80.5 46.6 -65.8 -45.9 -32.9 9.7 19.3 75 81 A V H > S+ 0 0 57 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.963 115.6 46.8 -60.0 -50.3 -29.9 7.3 19.4 76 82 A R H > S+ 0 0 109 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.891 113.0 50.4 -58.7 -42.3 -32.0 4.5 21.1 77 83 A E H X S+ 0 0 103 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.919 113.3 43.8 -61.8 -47.7 -34.9 5.0 18.6 78 84 A Y H X S+ 0 0 131 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.896 112.5 52.6 -71.1 -37.3 -32.7 4.8 15.5 79 85 A R H X S+ 0 0 39 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.919 109.6 49.8 -59.0 -45.8 -30.7 1.8 16.9 80 86 A E H X S+ 0 0 76 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.838 108.0 54.6 -60.9 -34.9 -34.1 -0.1 17.5 81 87 A K H X S+ 0 0 114 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.931 111.7 42.6 -62.3 -50.0 -35.1 0.8 13.9 82 88 A V H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.928 112.4 54.9 -62.4 -46.1 -32.0 -0.8 12.5 83 89 A E H X S+ 0 0 32 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.911 106.7 49.9 -52.4 -47.2 -32.3 -3.8 14.9 84 90 A T H X S+ 0 0 87 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.867 110.7 49.5 -64.2 -34.8 -35.9 -4.5 13.8 85 91 A E H X S+ 0 0 97 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.902 110.4 51.2 -68.3 -44.0 -34.9 -4.5 10.0 86 92 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.941 110.6 49.2 -54.7 -46.6 -32.0 -6.9 10.8 87 93 A Q H X S+ 0 0 61 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.899 108.0 53.6 -65.2 -39.3 -34.5 -9.2 12.6 88 94 A G H X S+ 0 0 33 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.906 109.0 49.0 -61.1 -38.5 -36.8 -9.1 9.6 89 95 A V H X S+ 0 0 25 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.958 112.5 46.9 -68.0 -48.7 -34.0 -10.2 7.2 90 96 A C H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.911 112.5 50.6 -58.3 -44.9 -32.9 -13.1 9.5 91 97 A D H X S+ 0 0 93 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.871 107.7 53.0 -64.7 -37.0 -36.6 -14.2 9.9 92 98 A T H X S+ 0 0 57 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.952 112.0 45.7 -59.5 -46.3 -37.1 -14.2 6.0 93 99 A V H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 3,-0.3 0.964 111.2 50.6 -62.4 -51.7 -34.0 -16.5 5.5 94 100 A L H X S+ 0 0 20 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.868 108.0 55.9 -54.9 -37.3 -35.0 -18.9 8.3 95 101 A G H X S+ 0 0 37 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.898 106.9 48.2 -63.7 -40.3 -38.5 -19.1 6.6 96 102 A L H <>S+ 0 0 12 -4,-1.8 5,-1.7 -3,-0.3 3,-0.4 0.905 111.9 49.3 -63.3 -42.3 -37.0 -20.1 3.3 97 103 A L H <>S+ 0 0 3 -4,-2.2 5,-2.3 1,-0.2 6,-0.4 0.881 115.6 43.2 -66.6 -36.7 -34.9 -22.8 5.0 98 104 A D H <5S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.566 105.0 71.0 -79.0 -14.3 -37.9 -24.2 6.9 99 105 A S T <5S- 0 0 69 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 -0.504 130.2 -60.3-142.5 68.5 -40.2 -24.0 3.8 100 106 A H T >5S+ 0 0 91 -3,-0.3 4,-2.2 -2,-0.1 -3,-0.2 -0.681 108.7 100.1-140.2 42.4 -38.9 -26.2 2.4 101 107 A L H >4 S- 0 0 87 1,-0.1 4,-1.9 0, 0.0 5,-0.2 -0.953 79.7 -81.9-167.7 179.2 -28.2 -35.3 -0.5 108 114 A A H > S+ 0 0 19 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.882 117.4 57.9 -63.8 -49.6 -25.7 -34.7 2.4 109 115 A E H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.927 114.4 39.5 -48.1 -50.1 -23.6 -31.9 0.7 110 116 A S H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.863 113.9 51.7 -71.2 -40.1 -26.8 -29.8 0.3 111 117 A R H X S+ 0 0 77 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.916 109.9 50.0 -65.3 -44.4 -28.4 -30.6 3.6 112 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.899 107.8 54.4 -58.1 -41.4 -25.2 -29.6 5.5 113 119 A F H X S+ 0 0 19 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.931 112.2 44.2 -60.2 -45.9 -25.0 -26.3 3.6 114 120 A Y H X S+ 0 0 7 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.875 112.6 49.8 -68.3 -40.1 -28.6 -25.4 4.6 115 121 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.884 109.3 52.5 -71.5 -36.3 -28.2 -26.4 8.3 116 122 A K H X S+ 0 0 29 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.949 109.2 50.2 -55.6 -48.9 -25.0 -24.4 8.6 117 123 A M H X S+ 0 0 8 -4,-2.0 4,-2.4 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