==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 28-JUN-11 3SMK . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANDERS,B.SCHUMACHER,C.OTTMANN . 231 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 79.2 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 . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 68.8 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 1 0 0 0 1 1 0 0 0 1 0 0 0 1 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 -4 A G 0 0 84 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.4 -3.5 -11.9 -6.7 2 -3 A A + 0 0 104 0, 0.0 3,-0.3 0, 0.0 27,-0.0 -0.967 360.0 11.4 -52.9 -17.9 -1.9 -9.5 -6.5 3 -2 A M S > S+ 0 0 44 1,-0.2 3,-1.6 2,-0.1 8,-0.1 0.395 101.1 101.9-105.8 -0.5 0.2 -12.1 -8.3 4 -1 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 32,-0.0 0, 0.0 0.699 79.5 53.5 -63.3 -22.1 -2.5 -14.7 -9.1 5 0 A S T 3 S+ 0 0 123 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.552 92.3 90.4 -87.2 -9.4 -2.9 -13.6 -12.7 6 1 A M S < S- 0 0 28 -3,-1.6 2,-0.1 1,-0.1 5,-0.0 -0.717 83.8-107.0 -95.0 141.8 0.8 -14.0 -13.6 7 2 A E >> - 0 0 141 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.333 25.1-122.6 -58.9 137.8 2.3 -17.2 -14.9 8 3 A R H 3> S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.907 114.0 48.4 -44.7 -50.6 4.5 -19.1 -12.5 9 4 A A H 3> S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.844 109.1 54.5 -68.8 -27.6 7.5 -18.9 -14.9 10 5 A S H <> S+ 0 0 41 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.884 106.2 52.4 -72.2 -37.4 7.0 -15.1 -15.3 11 6 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.938 111.2 45.6 -59.2 -46.9 7.1 -14.7 -11.6 12 7 A I H X S+ 0 0 12 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.910 113.2 50.8 -64.7 -43.2 10.4 -16.5 -11.3 13 8 A Q H X S+ 0 0 122 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.940 112.5 45.6 -60.5 -46.7 11.8 -14.6 -14.2 14 9 A K H X S+ 0 0 88 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.857 107.6 58.3 -67.5 -34.8 10.8 -11.2 -12.7 15 10 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.926 107.1 47.6 -58.7 -43.1 12.1 -12.3 -9.3 16 11 A K H X S+ 0 0 76 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.894 112.4 49.5 -65.4 -43.0 15.6 -12.8 -11.0 17 12 A L H X S+ 0 0 98 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.904 109.5 51.3 -51.1 -51.7 15.2 -9.3 -12.7 18 13 A A H <>S+ 0 0 7 -4,-2.9 5,-3.3 2,-0.2 4,-0.3 0.896 108.5 52.7 -57.5 -39.1 14.3 -7.7 -9.4 19 14 A E H ><5S+ 0 0 72 -4,-2.0 3,-1.8 2,-0.2 -2,-0.2 0.952 108.4 48.8 -60.0 -56.0 17.4 -9.3 -7.8 20 15 A Q H 3<5S+ 0 0 160 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.879 115.7 45.9 -48.3 -41.7 19.6 -7.8 -10.5 21 16 A A T 3<5S- 0 0 65 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.458 111.4-122.7 -83.9 0.7 17.9 -4.5 -9.9 22 17 A E T < 5 + 0 0 144 -3,-1.8 2,-0.9 -4,-0.3 -3,-0.2 0.861 65.0 142.3 56.7 38.8 18.2 -4.8 -6.0 23 18 A R >< + 0 0 145 -5,-3.3 4,-2.6 1,-0.2 -1,-0.2 -0.707 18.3 166.7-103.6 77.5 14.4 -4.5 -5.8 24 19 A Y H > + 0 0 56 -2,-0.9 4,-2.5 1,-0.2 32,-0.2 0.786 70.0 54.4 -73.6 -31.6 14.2 -7.0 -2.9 25 20 A E H > S+ 0 0 145 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.905 112.8 44.5 -63.1 -44.5 10.6 -6.2 -1.9 26 21 A D H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 112.5 54.6 -59.0 -47.6 9.5 -6.8 -5.6 27 22 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.934 110.1 44.1 -51.1 -51.2 11.7 -9.9 -5.5 28 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.8 24,-0.2 -1,-0.2 0.880 111.9 52.5 -64.5 -40.7 9.9 -11.2 -2.4 29 24 A A H X S+ 0 0 38 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.925 111.3 48.0 -62.7 -43.4 6.4 -10.4 -3.7 30 25 A F H X S+ 0 0 36 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.919 113.7 45.6 -64.0 -47.9 7.2 -12.3 -6.9 31 26 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.889 110.4 53.5 -61.9 -39.9 8.5 -15.3 -5.1 32 27 A K H X S+ 0 0 63 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.912 108.6 51.1 -58.9 -42.3 5.6 -15.3 -2.7 33 28 A G H < S+ 0 0 4 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.902 108.5 52.4 -61.6 -40.2 3.4 -15.3 -5.8 34 29 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 5,-0.4 0.919 107.9 49.6 -58.7 -47.7 5.4 -18.3 -7.2 35 30 A V H >< S+ 0 0 1 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.877 102.8 63.2 -60.5 -36.5 4.9 -20.3 -4.0 36 31 A E T 3< S+ 0 0 83 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.590 80.4 80.8 -70.5 -8.3 1.2 -19.5 -4.1 37 32 A K T < S- 0 0 62 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.571 104.3-124.7 -70.2 -9.9 0.9 -21.5 -7.4 38 33 A G S < S+ 0 0 53 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.336 71.1 118.3 87.5 -6.4 0.8 -24.6 -5.2 39 34 A E S S- 0 0 119 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.620 71.3-100.5 -92.1 154.3 3.8 -26.4 -6.8 40 35 A E - 0 0 117 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.355 39.4-114.7 -71.1 151.7 7.0 -27.3 -4.9 41 36 A L - 0 0 8 65,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.683 21.8-128.9 -84.7 144.0 10.0 -25.0 -5.4 42 37 A S > - 0 0 50 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.256 36.8 -94.9 -70.1 171.5 13.2 -26.2 -7.1 43 38 A V H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.943 128.2 46.9 -47.7 -54.6 16.6 -25.7 -5.5 44 39 A E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 112.4 50.2 -59.3 -42.2 17.1 -22.5 -7.4 45 40 A E H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 109.6 49.1 -71.0 -42.7 13.6 -21.2 -6.6 46 41 A R H X S+ 0 0 21 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.912 110.1 53.4 -60.5 -42.6 13.9 -21.8 -2.9 47 42 A N H X S+ 0 0 74 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.935 109.6 47.9 -54.7 -45.0 17.3 -20.0 -3.0 48 43 A L H X S+ 0 0 14 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.916 111.2 51.2 -62.3 -43.9 15.6 -17.0 -4.7 49 44 A L H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.958 112.1 44.9 -57.9 -53.5 12.8 -17.0 -2.1 50 45 A S H X S+ 0 0 29 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.909 113.1 50.1 -63.6 -40.9 15.1 -17.0 0.9 51 46 A V H X S+ 0 0 48 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.886 109.0 53.8 -63.0 -37.5 17.4 -14.3 -0.6 52 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -24,-0.2 0.987 117.7 33.6 -64.0 -57.4 14.4 -12.1 -1.3 53 48 A Y H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.827 112.9 61.0 -68.2 -34.6 13.0 -12.1 2.2 54 49 A K H X S+ 0 0 42 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.922 109.9 43.5 -57.2 -43.9 16.4 -12.3 3.9 55 50 A N H X S+ 0 0 69 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.940 113.1 49.5 -66.1 -48.2 17.2 -9.0 2.3 56 51 A V H X S+ 0 0 18 -4,-2.2 4,-1.8 -32,-0.2 3,-0.2 0.962 117.1 41.3 -54.1 -50.7 13.8 -7.3 3.1 57 52 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.818 110.2 60.5 -70.1 -33.3 14.0 -8.4 6.8 58 53 A G H X S+ 0 0 25 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.909 105.8 45.4 -63.6 -44.4 17.7 -7.5 6.9 59 54 A G H X S+ 0 0 47 -4,-2.2 4,-2.2 -3,-0.2 -1,-0.2 0.901 115.0 48.8 -61.2 -40.3 17.0 -3.9 6.0 60 55 A Q H X S+ 0 0 22 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.885 112.3 47.4 -68.9 -36.6 14.1 -3.8 8.6 61 56 A R H X S+ 0 0 5 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.923 110.6 52.2 -70.5 -41.0 16.2 -5.4 11.3 62 57 A A H X S+ 0 0 43 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.940 113.3 44.8 -60.6 -45.3 19.2 -2.9 10.6 63 58 A A H X S+ 0 0 41 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.910 110.5 54.5 -64.3 -44.0 16.8 0.0 10.9 64 59 A W H X S+ 0 0 41 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.890 106.6 51.7 -58.8 -37.8 15.2 -1.4 14.0 65 60 A R H X S+ 0 0 81 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.837 108.4 50.4 -67.3 -40.5 18.6 -1.6 15.7 66 61 A V H X S+ 0 0 85 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.932 115.4 43.4 -57.7 -48.8 19.4 2.1 14.9 67 62 A L H X S+ 0 0 23 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.900 113.7 49.6 -69.0 -45.1 16.0 3.2 16.4 68 63 A S H X S+ 0 0 26 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.920 111.4 51.0 -58.0 -42.7 16.3 0.9 19.4 69 64 A S H X S+ 0 0 74 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.987 112.4 45.0 -55.8 -60.8 19.8 2.2 20.0 70 65 A I H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.876 113.9 51.8 -47.7 -44.9 18.6 5.8 19.8 71 66 A E H < S+ 0 0 26 -4,-2.9 4,-0.3 2,-0.2 -1,-0.2 0.912 108.2 48.2 -61.9 -52.7 15.6 4.9 22.1 72 67 A Q H >< S+ 0 0 79 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.941 113.5 49.2 -55.6 -47.0 17.7 3.3 24.9 73 68 A K H 3< S+ 0 0 106 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.897 105.6 55.7 -62.7 -37.9 20.1 6.3 24.9 74 69 A S T 3< 0 0 75 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.564 360.0 360.0 -72.5 -0.1 17.1 8.8 25.0 75 70 A N < 0 0 165 -3,-1.7 -3,-0.0 -4,-0.3 -4,-0.0 -0.792 360.0 360.0 -95.5 360.0 16.1 6.8 28.2 76 ! 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 77 78 A G 0 0 102 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-173.1 9.0 12.7 23.8 78 79 A P > + 0 0 57 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.405 360.0 96.7 -79.4 -1.5 7.3 9.6 22.4 79 80 A E H > S+ 0 0 125 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.848 81.2 49.8 -69.2 -37.9 8.5 9.9 18.8 80 81 A V H > S+ 0 0 42 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.966 115.6 43.7 -65.4 -49.1 11.5 7.5 18.9 81 82 A R H > S+ 0 0 103 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.891 113.0 52.6 -62.1 -44.0 9.4 4.8 20.5 82 83 A E H X S+ 0 0 98 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.913 113.1 42.7 -58.9 -44.1 6.5 5.4 18.2 83 84 A Y H X S+ 0 0 125 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.904 112.3 52.8 -74.6 -34.2 8.7 5.1 15.0 84 85 A R H X S+ 0 0 39 -4,-2.7 4,-2.8 1,-0.3 -1,-0.2 0.903 109.1 51.6 -63.6 -40.7 10.6 2.1 16.4 85 86 A E H X S+ 0 0 81 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.3 0.830 107.8 52.4 -60.9 -41.9 7.2 0.5 17.0 86 87 A K H X S+ 0 0 125 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.945 113.3 42.4 -58.5 -55.5 6.2 1.2 13.3 87 88 A V H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.964 114.7 52.5 -58.5 -50.3 9.3 -0.4 11.9 88 89 A E H X S+ 0 0 29 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.845 109.4 47.5 -48.7 -49.4 8.9 -3.3 14.4 89 90 A T H X S+ 0 0 87 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.872 112.7 49.4 -67.9 -41.2 5.3 -4.0 13.4 90 91 A E H X S+ 0 0 100 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 111.1 50.4 -59.6 -44.8 6.3 -3.9 9.7 91 92 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.934 110.3 50.0 -61.4 -43.3 9.2 -6.3 10.5 92 93 A Q H X S+ 0 0 60 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.853 106.3 55.9 -62.2 -34.3 6.8 -8.7 12.3 93 94 A G H X S+ 0 0 32 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.869 108.5 47.2 -70.4 -36.4 4.4 -8.6 9.4 94 95 A V H X S+ 0 0 26 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.941 111.7 49.7 -68.2 -45.7 7.1 -9.8 7.1 95 96 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.901 111.0 50.9 -60.0 -39.0 8.2 -12.5 9.4 96 97 A D H X S+ 0 0 97 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.869 108.5 52.1 -65.1 -38.6 4.5 -13.6 9.7 97 98 A T H X S+ 0 0 53 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.950 112.0 44.6 -58.3 -49.4 4.2 -13.6 5.9 98 99 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 3,-0.2 0.973 115.0 48.3 -60.9 -52.9 7.3 -15.9 5.6 99 100 A L H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.3 5,-0.2 0.875 110.6 52.8 -55.3 -40.1 6.1 -18.2 8.4 100 101 A G H X S+ 0 0 32 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.3 0.908 109.8 46.8 -61.4 -45.9 2.7 -18.3 6.8 101 102 A L H X>S+ 0 0 8 -4,-2.5 4,-2.1 -3,-0.2 5,-1.6 0.912 114.0 48.6 -60.5 -46.2 4.3 -19.4 3.5 102 103 A L H <>S+ 0 0 1 -4,-2.7 5,-2.4 3,-0.2 6,-0.5 0.938 116.9 42.2 -56.3 -47.4 6.4 -22.0 5.3 103 104 A D H <5S+ 0 0 101 -4,-2.8 5,-0.2 -5,-0.2 -2,-0.2 0.858 118.9 43.1 -72.3 -33.8 3.4 -23.4 7.2 104 105 A S H <5S- 0 0 70 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.900 133.3 -5.0 -84.6 -41.5 0.9 -23.3 4.3 105 106 A H T X5S+ 0 0 56 -4,-2.1 4,-1.4 -5,-0.3 -3,-0.2 0.795 119.8 51.2-115.0 -45.8 2.8 -24.7 1.4 106 107 A L H >4 S- 0 0 122 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.363 84.5-118.0 -76.5 163.2 13.4 -34.7 0.3 113 114 A A H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.950 109.4 51.5 -64.7 -58.4 16.1 -33.9 2.9 114 115 A E H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 114.3 44.4 -49.6 -49.9 17.5 -30.8 1.3 115 116 A S H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.956 113.8 48.5 -65.0 -46.0 14.1 -29.1 0.9 116 117 A R H X S+ 0 0 69 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.924 114.8 44.0 -61.7 -45.0 12.8 -30.0 4.4 117 118 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.890 111.5 55.0 -64.7 -41.8 15.9 -28.8 6.2 118 119 A F H X S+ 0 0 20 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.929 112.1 42.4 -56.7 -51.3 16.0 -25.6 4.1 119 120 A Y H X 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