==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 23-FEB-10 3LW1 . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.SCHUMACHER,J.MONDRY,P.THIEL,M.WEYAND,C.OTTMANN . 242 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 77.7 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0 2 0 0 2 0 0 0 0 2 1 0 0 1 0 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 96 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 147.0 -44.3 -12.0 -4.2 2 -3 A A T 3 + 0 0 102 1,-0.3 3,-0.3 2,-0.1 27,-0.0 0.641 360.0 51.0 -62.8 -25.1 -43.0 -9.2 -6.5 3 -2 A M T > S+ 0 0 40 1,-0.2 3,-1.9 26,-0.1 -1,-0.3 0.406 78.9 101.2 -91.1 4.9 -40.8 -11.9 -8.3 4 -1 A G T < S+ 0 0 52 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.750 81.0 49.8 -63.8 -25.8 -43.7 -14.3 -8.9 5 0 A S T 3 S+ 0 0 121 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.508 93.4 91.2 -89.9 -2.6 -44.0 -13.3 -12.6 6 1 A M S < S- 0 0 38 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.745 82.9-109.4 -98.2 136.6 -40.4 -13.6 -13.4 7 2 A E > - 0 0 142 -2,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.301 23.5-122.8 -56.8 145.5 -38.9 -16.9 -14.8 8 3 A R H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 112.8 50.1 -52.4 -46.6 -36.6 -18.8 -12.5 9 4 A A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 109.6 52.0 -66.2 -34.7 -33.7 -18.7 -15.0 10 5 A S H > S+ 0 0 41 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 107.3 52.1 -68.5 -36.1 -34.2 -14.9 -15.4 11 6 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 111.5 46.9 -64.0 -42.0 -34.0 -14.4 -11.6 12 7 A I H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 112.2 50.4 -62.9 -46.4 -30.7 -16.3 -11.5 13 8 A Q H X S+ 0 0 126 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.927 112.7 45.8 -59.6 -45.0 -29.4 -14.4 -14.4 14 9 A K H X S+ 0 0 86 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.862 106.5 59.0 -69.7 -31.6 -30.3 -11.0 -12.8 15 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.909 107.3 48.0 -58.4 -42.7 -28.9 -12.2 -9.4 16 11 A K H X S+ 0 0 73 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.897 112.3 48.2 -68.0 -38.2 -25.5 -12.6 -11.2 17 12 A L H X S+ 0 0 94 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.912 110.1 52.2 -64.3 -43.4 -25.8 -9.1 -12.8 18 13 A A H <>S+ 0 0 8 -4,-2.9 5,-2.8 1,-0.2 4,-0.3 0.890 107.3 53.2 -61.1 -39.9 -26.7 -7.6 -9.5 19 14 A E H ><5S+ 0 0 73 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.948 108.5 48.7 -57.9 -47.3 -23.6 -9.2 -8.0 20 15 A Q H 3<5S+ 0 0 152 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 113.9 47.0 -61.9 -34.1 -21.4 -7.6 -10.7 21 16 A A T 3<5S- 0 0 68 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.377 111.8-122.1 -84.0 -3.0 -23.1 -4.3 -10.0 22 17 A E T < 5 + 0 0 145 -3,-1.6 2,-1.0 -4,-0.3 -3,-0.2 0.807 65.5 143.4 56.2 42.2 -22.7 -4.7 -6.2 23 18 A R >< + 0 0 146 -5,-2.8 4,-2.4 1,-0.2 -1,-0.2 -0.678 17.5 166.7-107.2 74.3 -26.4 -4.3 -5.9 24 19 A Y H > + 0 0 56 -2,-1.0 4,-2.5 1,-0.2 32,-0.2 0.816 68.6 54.9 -72.6 -31.4 -26.8 -6.8 -3.0 25 20 A E H > S+ 0 0 153 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 112.2 46.0 -65.7 -40.6 -30.3 -6.0 -1.9 26 21 A D H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.931 111.0 53.3 -61.7 -44.0 -31.5 -6.6 -5.5 27 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.900 109.9 47.8 -56.9 -45.8 -29.4 -9.8 -5.6 28 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.6 24,-0.3 -1,-0.2 0.900 110.7 50.8 -62.4 -43.0 -31.1 -11.0 -2.5 29 24 A A H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.902 111.2 48.5 -64.2 -38.4 -34.5 -10.2 -3.7 30 25 A F H X S+ 0 0 31 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 113.1 47.3 -64.8 -43.4 -33.9 -12.0 -7.0 31 26 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.870 108.8 54.0 -69.6 -33.9 -32.5 -15.1 -5.1 32 27 A K H X S+ 0 0 65 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.942 109.3 50.2 -59.5 -46.1 -35.5 -15.1 -2.8 33 28 A G H X S+ 0 0 3 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.914 109.3 50.4 -58.2 -41.7 -37.7 -15.1 -5.8 34 29 A A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 5,-0.4 0.925 110.2 49.3 -63.9 -44.5 -35.8 -18.0 -7.2 35 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.921 104.5 60.2 -58.3 -42.0 -36.1 -20.0 -4.0 36 31 A E H 3< S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.631 82.7 79.7 -70.6 -5.8 -39.8 -19.3 -3.9 37 32 A K T << S- 0 0 73 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.720 104.2-126.5 -67.5 -20.9 -40.2 -21.1 -7.3 38 33 A G < + 0 0 65 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.368 67.6 121.0 99.0 -11.5 -40.1 -24.3 -5.1 39 34 A E - 0 0 128 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.591 69.8-100.0 -83.1 153.9 -37.3 -26.2 -6.9 40 35 A E - 0 0 114 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.304 40.7-115.6 -64.3 155.2 -34.1 -27.2 -5.1 41 36 A L - 0 0 9 71,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.777 18.2-129.2 -98.2 139.8 -31.0 -25.0 -5.7 42 37 A S > - 0 0 52 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.266 36.9 -97.1 -67.6 170.6 -27.8 -26.1 -7.4 43 38 A X H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 126.8 49.2 -58.1 -45.4 -24.5 -25.5 -5.7 44 39 A E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 111.6 49.3 -62.1 -42.2 -23.9 -22.3 -7.7 45 40 A E H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 107.9 53.8 -68.0 -35.9 -27.4 -21.1 -6.8 46 41 A R H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.907 108.8 50.0 -59.1 -43.5 -26.9 -21.8 -3.1 47 42 A N H X S+ 0 0 61 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.899 108.0 51.8 -68.8 -33.5 -23.8 -19.8 -3.2 48 43 A L H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.917 110.1 50.5 -64.3 -41.7 -25.6 -16.9 -4.9 49 44 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.931 113.7 45.2 -57.7 -48.6 -28.2 -17.0 -2.2 50 45 A S H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.923 112.6 49.0 -65.1 -46.3 -25.6 -16.9 0.6 51 46 A V H X S+ 0 0 30 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.912 111.2 51.5 -61.9 -41.3 -23.4 -14.2 -1.0 52 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -24,-0.3 0.968 116.2 37.0 -59.9 -57.7 -26.5 -11.9 -1.5 53 48 A Y H X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.855 112.6 58.3 -68.7 -32.9 -27.8 -12.2 2.1 54 49 A K H X S+ 0 0 5 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.902 109.0 45.6 -64.6 -39.3 -24.4 -12.1 3.7 55 50 A N H X S+ 0 0 29 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.917 114.5 48.0 -68.9 -41.1 -23.6 -8.8 2.0 56 51 A V H X S+ 0 0 21 -4,-2.1 4,-1.7 -32,-0.2 3,-0.3 0.972 117.1 40.7 -63.6 -51.1 -27.0 -7.3 3.0 57 52 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.841 109.9 61.0 -69.1 -30.5 -26.8 -8.5 6.6 58 53 A G H X S+ 0 0 11 -4,-1.8 4,-2.2 -5,-0.4 -1,-0.2 0.908 104.4 48.1 -63.3 -39.6 -23.1 -7.5 6.8 59 54 A G H X S+ 0 0 46 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.900 113.6 48.1 -64.0 -41.8 -23.9 -3.9 6.0 60 55 A Q H X S+ 0 0 28 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.917 110.9 50.1 -65.1 -42.6 -26.7 -3.9 8.7 61 56 A R H X S+ 0 0 15 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.904 110.5 49.9 -61.8 -46.0 -24.4 -5.6 11.3 62 57 A A H X S+ 0 0 40 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.923 113.3 46.5 -59.7 -44.2 -21.7 -3.0 10.6 63 58 A A H X S+ 0 0 40 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.920 110.9 51.9 -63.9 -44.7 -24.2 -0.1 11.0 64 59 A W H X S+ 0 0 40 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.890 107.9 52.3 -58.2 -44.2 -25.7 -1.7 14.1 65 60 A R H X S+ 0 0 130 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.906 109.9 48.6 -61.6 -39.7 -22.2 -1.9 15.7 66 61 A V H X S+ 0 0 89 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.951 115.6 43.8 -63.4 -48.1 -21.5 1.8 15.0 67 62 A L H X S+ 0 0 25 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.901 111.9 52.1 -66.8 -39.1 -24.9 2.9 16.5 68 63 A S H X S+ 0 0 11 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.887 108.6 51.9 -64.3 -38.8 -24.6 0.6 19.5 69 64 A S H X S+ 0 0 57 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.916 111.1 47.1 -63.1 -42.5 -21.2 2.0 20.3 70 65 A I H X S+ 0 0 82 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 112.5 50.2 -64.5 -42.7 -22.5 5.6 20.1 71 66 A E H X S+ 0 0 25 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.939 109.8 49.9 -62.1 -42.3 -25.5 4.6 22.3 72 67 A Q H >< S+ 0 0 125 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.913 109.2 51.4 -65.9 -41.7 -23.2 2.9 24.9 73 68 A K H >< S+ 0 0 155 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.910 105.9 57.0 -61.2 -40.7 -21.0 6.1 25.1 74 69 A S H 3< S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 102.9 54.5 -60.2 -24.4 -24.2 8.1 25.6 75 70 A N T << S+ 0 0 127 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.329 88.0 109.1 -94.8 6.3 -24.9 6.0 28.7 76 71 A E S X S- 0 0 78 -3,-1.8 3,-2.0 -4,-0.2 2,-0.1 -0.437 83.9 -86.1 -79.6 153.7 -21.5 6.7 30.3 77 72 A E T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.385 115.2 18.8 -60.7 129.0 -21.0 8.9 33.4 78 73 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.416 88.8 136.4 89.1 -0.4 -20.7 12.6 32.4 79 74 A S < - 0 0 54 -3,-2.0 -1,-0.3 -6,-0.1 2,-0.1 -0.614 59.2-114.6 -75.2 138.7 -22.2 12.1 28.9 80 75 A E - 0 0 138 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.463 29.6-109.0 -73.4 138.5 -24.7 14.9 28.0 81 76 A E + 0 0 149 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.1 -0.567 39.7 173.8 -63.7 125.9 -28.4 13.8 27.6 82 77 A K - 0 0 149 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.301 40.0-112.0-121.1 8.6 -29.2 14.0 24.0 83 78 A G - 0 0 33 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 -0.300 47.7 -52.3 94.8-174.2 -32.7 12.5 23.8 84 79 A P S > S+ 0 0 56 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.481 100.6 98.5 -84.7 -2.4 -34.1 9.3 22.4 85 80 A E H > S+ 0 0 112 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.842 80.3 48.6 -65.6 -39.5 -32.7 9.6 18.8 86 81 A V H > S+ 0 0 47 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.957 115.9 45.0 -66.4 -45.2 -29.7 7.3 19.1 87 82 A R H > S+ 0 0 103 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.934 113.6 50.8 -59.7 -44.8 -31.7 4.5 20.7 88 83 A E H X S+ 0 0 96 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.920 113.2 44.0 -60.9 -44.3 -34.5 5.0 18.1 89 84 A Y H X S+ 0 0 120 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.923 112.0 51.8 -73.6 -37.7 -32.2 4.8 15.2 90 85 A R H X S+ 0 0 34 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.918 111.3 50.1 -57.3 -43.9 -30.3 1.8 16.6 91 86 A E H X S+ 0 0 73 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.873 107.6 53.1 -61.8 -36.6 -33.7 0.2 17.0 92 87 A K H X S+ 0 0 117 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.951 112.9 43.1 -62.4 -50.1 -34.7 1.0 13.5 93 88 A V H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.933 114.2 52.3 -61.6 -41.2 -31.5 -0.6 12.1 94 89 A E H X S+ 0 0 26 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.912 108.4 49.8 -62.4 -41.7 -31.9 -3.6 14.5 95 90 A T H X S+ 0 0 88 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.894 111.1 48.9 -67.6 -37.8 -35.4 -4.2 13.4 96 91 A E H X S+ 0 0 102 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.925 111.3 50.6 -66.2 -41.7 -34.4 -4.2 9.7 97 92 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.927 110.2 49.3 -59.4 -47.2 -31.5 -6.6 10.5 98 93 A Q H X S+ 0 0 59 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.879 107.9 55.5 -60.8 -36.2 -33.9 -8.9 12.3 99 94 A G H X S+ 0 0 31 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.885 107.5 47.6 -65.3 -38.7 -36.3 -8.8 9.4 100 95 A V H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.935 112.6 49.7 -67.7 -44.0 -33.6 -9.9 7.0 101 96 A C H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.929 110.7 50.0 -59.5 -42.7 -32.6 -12.8 9.3 102 97 A D H X S+ 0 0 95 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.889 108.2 53.4 -63.2 -35.5 -36.2 -13.8 9.6 103 98 A T H X S+ 0 0 52 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.938 112.1 44.1 -62.5 -46.8 -36.5 -13.8 5.8 104 99 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.949 113.6 49.6 -65.1 -47.2 -33.5 -16.1 5.4 105 100 A L H X S+ 0 0 18 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.864 109.2 54.0 -58.8 -37.7 -34.6 -18.4 8.2 106 101 A G H X S+ 0 0 35 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.899 106.9 49.8 -65.3 -38.5 -38.1 -18.5 6.6 107 102 A L H <>S+ 0 0 10 -4,-2.0 5,-1.9 2,-0.2 -2,-0.2 0.896 111.4 50.1 -64.2 -42.4 -36.6 -19.6 3.2 108 103 A L H <>S+ 0 0 3 -4,-2.3 5,-2.5 1,-0.2 6,-0.5 0.901 115.4 42.1 -64.5 -38.2 -34.7 -22.3 5.0 109 104 A D H <5S+ 0 0 98 -4,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.720 105.9 67.8 -79.3 -20.9 -37.8 -23.5 6.9 110 105 A S T <5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.690 132.0 -54.5-139.2 75.9 -40.1 -23.3 3.9 111 106 A H T >5S+ 0 0 108 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114.9 47.2 -62.9 -43.3 -10.5 -24.4 15.3 200 195 A K H X S+ 0 0 107 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.942 113.7 46.0 -60.3 -50.7 -7.3 -26.3 16.1 201 196 A T H X S+ 0 0 70 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.911 113.9 49.5 -60.5 -45.0 -8.8 -29.8 15.5 202 197 A T H X S+ 0 0 17 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.938 112.1 47.6 -63.3 -46.4 -10.3 -28.6 12.3 203 198 A F H X S+ 0 0 31 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.942 113.5 47.2 -59.3 -47.3 -7.1 -27.1 11.0 204 199 A D H X S+ 0 0 98 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.896 111.1 49.7 -68.4 -36.1 -5.0 -30.1 11.9 205 200 A E H < S+ 0 0 98 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.876 112.3 48.5 -70.5 -33.6 -7.4 -32.6 10.4 206 201 A A H >X S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.2 4,-0.9 0.929 107.4 55.6 -68.0 -43.8 -7.6 -30.6 7.1 207 202 A M H >< S+ 0 0 87 -4,-2.6 3,-1.0 1,-0.3 4,-0.3 0.909 104.3 54.5 -57.6 -39.9 -3.8 -30.3 7.0 208 203 A A T 3< S+ 0 0 64 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.595 111.8 44.5 -69.3 -14.5 -3.4 -34.1 7.2 209 204 A D T X4 S+ 0 0 54 -3,-1.6 3,-1.8 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