==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 03-MAY-13 4KJM . COMPND 2 MOLECULE: EXTRACELLULAR MATRIX-BINDING PROTEIN EBH; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR M.CYMBOROWSKI,I.G.SHABALIN,G.JOACHIMIAK,M.CHRUSZCZ,P.GORNICK . 240 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 80.0 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 . 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 67.5 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 2 2 0 0 0 1 1 0 1 1 0 2 0 6 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 . 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 T > 0 0 103 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 177.0 9.7 15.8 -1.6 2 2 A S H > + 0 0 60 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.865 360.0 53.2 -65.6 -34.7 12.0 13.4 0.2 3 3 A T H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 105.6 52.8 -64.8 -44.0 11.5 15.8 3.0 4 4 A X H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.933 110.4 48.2 -58.7 -47.7 7.6 15.4 2.6 5 5 A G H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.880 111.7 49.0 -53.2 -46.6 8.0 11.6 2.8 6 6 A N H X S+ 0 0 53 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.871 109.9 51.8 -62.1 -41.0 10.2 11.9 5.9 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.931 108.9 50.7 -63.1 -44.0 7.7 14.3 7.6 8 8 A Q H X S+ 0 0 44 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 102.5 59.9 -58.0 -43.4 4.9 11.8 6.9 9 9 A T H < S+ 0 0 13 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.963 110.7 43.4 -53.7 -45.9 6.9 9.0 8.4 10 10 A A H >< S+ 0 0 14 -4,-1.8 3,-1.0 1,-0.2 4,-0.2 0.927 114.1 46.6 -64.8 -44.8 6.9 11.2 11.7 11 11 A I H >< S+ 0 0 20 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.915 106.6 58.5 -70.3 -33.9 3.2 12.3 11.7 12 12 A N T 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 4,-0.2 0.583 99.4 60.4 -72.4 -7.6 1.9 8.7 11.0 13 13 A D T <> S+ 0 0 42 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.3 0.459 76.7 100.8 -96.0 -2.0 3.6 7.5 14.1 14 14 A K H <> S+ 0 0 69 -3,-1.7 4,-2.6 -4,-0.2 5,-0.2 0.891 76.5 49.6 -44.7 -56.5 1.6 9.8 16.2 15 15 A S H > S+ 0 0 95 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.879 111.4 46.4 -68.3 -37.6 -1.0 7.4 17.5 16 16 A G H 4 S+ 0 0 45 -4,-0.2 4,-0.4 -3,-0.2 -1,-0.2 0.884 114.6 50.2 -69.8 -34.2 1.5 4.7 18.7 17 17 A T H >< S+ 0 0 7 -4,-2.1 3,-1.7 1,-0.2 6,-0.4 0.948 107.5 52.1 -64.7 -45.2 3.6 7.4 20.4 18 18 A L H 3< S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.689 110.3 49.2 -69.1 -22.8 0.6 8.9 22.1 19 19 A A T 3< S+ 0 0 73 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.442 91.7 103.3 -90.4 -3.7 -0.2 5.4 23.5 20 20 A S S X> S- 0 0 38 -3,-1.7 4,-2.8 -4,-0.4 3,-0.6 -0.507 76.1-129.3 -83.1 148.3 3.3 4.8 24.8 21 21 A Q H 3> S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.868 108.4 65.0 -62.0 -33.4 4.3 5.0 28.5 22 22 A N H 34 S+ 0 0 49 1,-0.2 47,-2.2 47,-0.2 -1,-0.2 0.861 112.0 33.6 -64.2 -31.1 7.2 7.2 27.4 23 23 A F H X4 S+ 0 0 16 -3,-0.6 3,-1.7 -6,-0.4 -2,-0.2 0.917 116.2 53.9 -79.0 -51.9 4.7 9.9 26.2 24 24 A L H 3< S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.845 117.1 37.3 -58.3 -37.3 1.9 9.3 28.8 25 25 A D T 3< S+ 0 0 22 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.277 91.6 115.1 -98.4 3.9 4.3 9.8 31.7 26 26 A A S < S- 0 0 1 -3,-1.7 41,-0.1 -5,-0.1 5,-0.1 -0.388 84.5 -81.3 -65.7 157.4 6.4 12.6 30.1 27 27 A D >> - 0 0 62 1,-0.1 4,-2.0 -2,-0.1 3,-0.9 -0.313 43.6-114.6 -55.0 145.0 6.3 15.9 31.8 28 28 A E H 3> S+ 0 0 128 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.840 114.8 54.3 -56.5 -40.3 3.2 17.8 30.7 29 29 A Q H 3> S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.856 109.3 49.0 -60.5 -36.3 5.2 20.5 28.8 30 30 A K H <> S+ 0 0 71 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.856 109.7 51.0 -74.8 -36.1 7.0 17.9 26.8 31 31 A R H X S+ 0 0 69 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.945 111.9 48.5 -63.1 -43.4 3.7 16.2 26.0 32 32 A N H X S+ 0 0 63 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.920 108.4 52.9 -62.6 -42.6 2.3 19.5 24.8 33 33 A A H X S+ 0 0 45 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.890 110.8 47.6 -60.4 -39.6 5.4 20.2 22.7 34 34 A Y H X S+ 0 0 1 -4,-2.0 4,-2.6 29,-0.2 -2,-0.2 0.955 113.3 47.9 -67.9 -48.6 5.1 16.8 20.9 35 35 A N H X S+ 0 0 65 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 112.5 48.4 -57.2 -45.0 1.4 17.4 20.3 36 36 A Q H X S+ 0 0 130 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.920 111.8 49.5 -64.3 -39.4 1.9 20.9 19.0 37 37 A A H X S+ 0 0 11 -4,-2.1 4,-2.1 -5,-0.2 23,-0.2 0.898 111.7 49.0 -64.9 -43.4 4.8 19.8 16.6 38 38 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.936 111.6 48.9 -61.9 -45.7 2.6 17.0 15.3 39 39 A S H X S+ 0 0 66 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.907 111.2 50.0 -60.6 -44.1 -0.3 19.4 14.7 40 40 A A H X S+ 0 0 52 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.904 111.9 47.8 -60.7 -40.6 2.0 21.9 12.9 41 41 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.903 109.2 54.3 -68.0 -39.5 3.4 19.0 10.7 42 42 A E H < S+ 0 0 49 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.848 103.7 56.1 -62.7 -35.5 -0.2 17.9 9.9 43 43 A T H >< S+ 0 0 99 -4,-2.0 3,-1.0 2,-0.2 -1,-0.2 0.954 110.8 43.9 -60.3 -48.5 -1.0 21.4 8.8 44 44 A I H 3< S+ 0 0 42 -4,-1.7 -2,-0.2 2,-0.3 -1,-0.2 0.950 104.4 60.3 -60.9 -50.7 1.8 21.2 6.2 45 45 A L T 3< 0 0 35 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.588 360.0 360.0 -62.0 -7.5 0.9 17.7 5.1 46 46 A N < 0 0 169 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.3 0.256 360.0 360.0-112.7 360.0 -2.3 19.5 4.2 47 ! 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 48 53 A T 0 0 90 0, 0.0 2,-0.2 0, 0.0 -44,-0.1 0.000 360.0 360.0 360.0 178.8 5.5 23.9 1.5 49 54 A A >> - 0 0 59 1,-0.1 4,-2.1 4,-0.0 3,-0.6 -0.547 360.0-117.4 -65.8 143.1 9.0 25.6 1.2 50 55 A K H 3> S+ 0 0 138 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 116.3 56.0 -53.2 -38.9 11.7 23.0 1.9 51 56 A T H 3> S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 107.9 47.7 -59.9 -41.1 12.8 25.1 4.9 52 57 A A H <> S+ 0 0 36 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.875 114.4 45.5 -68.8 -40.1 9.3 24.9 6.4 53 58 A V H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 114.7 48.8 -67.2 -42.6 9.0 21.2 5.9 54 59 A E H X S+ 0 0 105 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.889 111.3 48.2 -66.3 -42.7 12.4 20.7 7.3 55 60 A Q H X S+ 0 0 119 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.914 111.5 51.7 -64.0 -40.6 11.8 22.9 10.4 56 61 A A H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.906 111.5 47.3 -60.4 -42.5 8.4 21.0 10.9 57 62 A L H X S+ 0 0 24 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.936 111.8 48.9 -64.1 -47.7 10.3 17.6 10.8 58 63 A N H X S+ 0 0 80 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.894 109.7 53.5 -58.1 -43.8 13.0 18.8 13.1 59 64 A N H X S+ 0 0 90 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.894 110.6 45.8 -66.0 -37.6 10.4 20.0 15.6 60 65 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 -23,-0.2 -1,-0.2 0.944 114.5 47.1 -66.6 -47.9 8.6 16.7 15.6 61 66 A N H X S+ 0 0 78 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.931 114.6 46.6 -62.4 -44.3 11.9 14.7 16.0 62 67 A N H X S+ 0 0 91 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.906 114.2 47.8 -63.3 -42.0 13.2 17.0 18.8 63 68 A A H X S+ 0 0 13 -4,-2.0 4,-0.9 -5,-0.3 -29,-0.2 0.901 113.0 48.5 -66.6 -42.1 9.9 16.9 20.6 64 69 A K H >< S+ 0 0 74 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.929 111.6 48.1 -62.8 -46.2 9.6 13.2 20.4 65 70 A H H 3< S+ 0 0 167 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 105.9 60.2 -64.3 -29.7 13.2 12.6 21.6 66 71 A A H 3< S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.732 75.9 114.1 -72.9 -18.9 12.6 15.0 24.5 67 72 A L << - 0 0 10 -4,-0.9 -44,-0.1 -3,-0.8 3,-0.1 -0.228 44.2-176.0 -57.6 135.1 9.7 12.8 25.9 68 73 A N > + 0 0 12 -45,-0.2 4,-2.5 -46,-0.2 5,-0.2 0.059 38.4 122.9-131.9 27.2 10.8 11.5 29.2 69 74 A G H > S+ 0 0 0 -47,-2.2 4,-2.4 2,-0.2 -47,-0.2 0.854 78.5 54.5 -51.6 -41.5 8.2 9.1 30.6 70 75 A T H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.954 111.2 43.2 -62.6 -48.7 10.7 6.3 30.8 71 76 A Q H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 112.2 55.1 -64.9 -37.6 13.2 8.2 32.9 72 77 A N H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.891 108.7 48.5 -60.9 -42.4 10.3 9.6 35.0 73 78 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.949 111.5 48.2 -61.3 -49.0 9.2 6.0 35.7 74 79 A N H X S+ 0 0 23 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.884 112.3 50.0 -60.0 -38.3 12.7 5.0 36.7 75 80 A N H X S+ 0 0 97 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.893 110.3 50.1 -64.4 -42.9 13.0 8.0 38.9 76 81 A A H X S+ 0 0 10 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.893 109.2 51.2 -61.6 -40.3 9.7 7.2 40.6 77 82 A K H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.923 111.2 47.6 -59.3 -48.9 10.8 3.6 41.2 78 83 A Q H X S+ 0 0 104 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.894 110.4 52.5 -65.5 -39.6 14.1 4.7 42.9 79 84 A A H X S+ 0 0 42 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.887 110.6 47.5 -60.1 -42.8 12.2 7.3 45.0 80 85 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.927 112.8 49.3 -63.5 -43.8 9.8 4.5 46.2 81 86 A I H X S+ 0 0 22 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.919 109.6 50.9 -61.5 -46.9 12.7 2.2 46.9 82 87 A T H X S+ 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.934 111.7 47.9 -57.8 -48.0 14.6 4.8 48.9 83 88 A A H < S+ 0 0 25 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.903 111.1 50.3 -58.3 -42.9 11.5 5.5 51.0 84 89 A I H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.949 110.7 50.3 -64.1 -44.4 11.0 1.8 51.6 85 90 A N H 3< S+ 0 0 79 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.869 110.9 48.5 -60.8 -36.0 14.6 1.5 52.7 86 91 A G T 3< S+ 0 0 63 -4,-2.1 2,-1.5 -5,-0.2 -1,-0.3 0.392 82.0 105.9 -85.4 4.8 14.3 4.4 55.1 87 92 A A X - 0 0 4 -3,-1.4 3,-1.6 -4,-0.4 -1,-0.1 -0.621 49.7-176.9 -87.8 86.9 11.1 3.1 56.6 88 93 A S T 3 S+ 0 0 98 -2,-1.5 -1,-0.2 1,-0.3 -4,-0.0 0.587 73.6 56.2 -63.4 -18.6 12.6 1.9 59.9 89 94 A D T 3 S+ 0 0 121 -3,-0.1 -1,-0.3 33,-0.1 2,-0.2 0.616 85.1 96.2 -91.7 -13.2 9.4 0.3 61.3 90 95 A L S < S- 0 0 11 -3,-1.6 2,-0.1 -6,-0.2 32,-0.0 -0.500 71.7-130.5 -77.2 140.5 8.8 -2.0 58.4 91 96 A N > - 0 0 81 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.397 30.2 -99.6 -84.0 171.0 10.0 -5.6 58.7 92 97 A Q H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.843 121.3 55.0 -60.2 -39.6 12.0 -7.3 56.0 93 98 A K H > S+ 0 0 171 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 110.6 45.2 -59.3 -47.4 9.0 -9.1 54.6 94 99 A Q H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 112.8 50.4 -63.1 -47.6 7.0 -5.9 54.1 95 100 A K H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.945 110.6 50.2 -56.2 -47.5 10.0 -4.1 52.6 96 101 A D H X S+ 0 0 77 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.901 111.3 48.2 -56.7 -42.2 10.5 -6.9 50.2 97 102 A A H X S+ 0 0 50 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.925 112.9 46.9 -69.1 -43.1 6.9 -6.9 49.1 98 103 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.855 110.7 53.5 -66.0 -33.6 6.8 -3.1 48.6 99 104 A K H X S+ 0 0 58 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.895 106.2 52.5 -68.0 -43.1 10.1 -3.2 46.6 100 105 A A H X S+ 0 0 63 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.914 110.1 49.0 -57.4 -42.9 8.6 -5.8 44.3 101 106 A Q H < S+ 0 0 95 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.934 113.0 46.9 -61.7 -44.5 5.6 -3.5 43.7 102 107 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.939 113.0 47.8 -65.6 -47.3 7.9 -0.5 43.0 103 108 A N H 3< S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 113.9 47.9 -65.3 -27.8 10.2 -2.4 40.7 104 109 A G T 3< S+ 0 0 21 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.417 80.1 130.6 -87.9 -1.9 7.2 -3.8 38.8 105 110 A A < - 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0 0 61 1,-0.1 4,-2.2 4,-0.1 3,-0.8 -0.288 43.8-115.3 -54.9 144.3 16.2 -5.8 9.6 150 28 B E H 3> S+ 0 0 130 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.849 114.8 55.5 -56.1 -40.0 15.6 -9.3 10.7 151 29 B Q H 3> S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 109.4 48.3 -60.5 -33.7 19.0 -9.5 12.5 152 30 B K H <> S+ 0 0 43 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.881 109.9 50.6 -78.6 -35.5 18.1 -6.4 14.6 153 31 B R H X S+ 0 0 72 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.945 112.2 48.7 -61.2 -45.9 14.7 -7.8 15.4 154 32 B N H X S+ 0 0 80 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.912 108.3 53.2 -59.0 -44.4 16.4 -11.0 16.6 155 33 B A H X S+ 0 0 45 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.888 110.4 47.0 -60.0 -42.9 18.9 -9.0 18.6 156 34 B Y H X S+ 0 0 1 -4,-2.0 4,-2.6 27,-0.3 5,-0.2 0.960 113.3 48.7 -63.8 -48.5 16.1 -7.2 20.5 157 35 B N H X S+ 0 0 64 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.924 112.3 48.1 -59.5 -45.5 14.2 -10.4 21.1 158 36 B Q H X S+ 0 0 137 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.917 112.5 49.0 -60.5 -45.0 17.3 -12.2 22.4 159 37 B A H X S+ 0 0 13 -4,-2.1 4,-2.2 -5,-0.2 21,-0.2 0.906 111.4 49.2 -62.8 -41.1 18.2 -9.3 24.7 160 38 B V H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.939 112.1 49.2 -65.1 -41.4 14.7 -9.1 26.1 161 39 B S H X S+ 0 0 55 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.916 109.5 51.0 -63.4 -42.0 14.7 -12.9 26.7 162 40 B A H X S+ 0 0 53 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.909 111.9 47.5 -60.9 -40.9 18.1 -12.7 28.5 163 41 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.892 109.6 53.3 -66.0 -41.8 16.7 -9.9 30.7 164 42 B E H < S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.859 105.0 55.7 -61.1 -37.2 13.5 -11.9 31.5 165 43 B T H < S+ 0 0 116 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.943 109.0 46.4 -61.3 -48.3 15.7 -14.8 32.5 166 44 B I H < 0 0 63 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.951 360.0 360.0 -59.4 -50.6 17.4 -12.6 35.1 167 45 B L < 0 0 80 -4,-2.6 -1,-0.0 -5,-0.1 -4,-0.0 -0.352 360.0 360.0 -57.1 360.0 14.1 -11.1 36.4 168 ! 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 0.0 169 54 B A > 0 0 108 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 138.1 25.4 -10.0 40.1 170 55 B K H > + 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.904 360.0 53.1 -54.7 -44.3 24.9 -6.2 39.6 171 56 B T H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.838 107.6 51.0 -63.3 -34.5 27.2 -6.2 36.6 172 57 B A H > S+ 0 0 47 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.845 113.1 45.8 -66.7 -38.1 25.1 -9.0 34.9 173 58 B V H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.919 113.7 49.0 -68.5 -44.4 22.0 -7.0 35.5 174 59 B E H X S+ 0 0 110 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.900 112.2 47.7 -66.3 -37.1 23.7 -3.9 34.2 175 60 B Q H X S+ 0 0 47 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.888 110.0 53.4 -67.7 -40.9 25.0 -5.7 31.1 176 61 B A H X S+ 0 0 8 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.886 111.0 47.3 -58.2 -41.8 21.5 -7.1 30.5 177 62 B L H X S+ 0 0 23 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.929 110.6 49.5 -65.3 -49.7 20.1 -3.6 30.6 178 63 B N H X S+ 0 0 41 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.841 110.3 54.1 -54.6 -44.6 22.7 -2.2 28.3 179 64 B N H X S+ 0 0 91 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.891 109.8 44.6 -67.7 -37.7 21.9 -5.0 25.9 180 65 B V H X S+ 0 0 1 -4,-1.9 4,-2.4 -21,-0.2 5,-0.2 0.949 116.0 47.3 -65.4 -45.7 18.3 -4.4 25.8 181 66 B N H X S+ 0 0 83 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.926 114.0 46.9 -66.7 -42.5 18.8 -0.6 25.4 182 67 B N H X S+ 0 0 110 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.909 113.9 47.7 -64.3 -42.7 21.5 -1.1 22.7 183 68 B A H X S+ 0 0 13 -4,-2.0 4,-0.9 -5,-0.2 -27,-0.3 0.886 112.3 49.9 -64.6 -39.2 19.3 -3.6 20.7 184 69 B K H >< S+ 0 0 74 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.935 110.7 48.7 -65.3 -45.8 16.3 -1.3 21.0 185 70 B H H 3< S+ 0 0 166 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 106.4 58.7 -64.0 -31.5 18.2 1.7 19.8 186 71 B A H 3< S+ 0 0 48 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.708 75.6 113.6 -72.5 -17.5 19.5 -0.4 16.8 187 72 B L << - 0 0 9 -3,-0.9 -42,-0.1 -4,-0.9 3,-0.1 -0.240 45.2-174.7 -59.7 136.4 16.1 -1.2 15.5 188 73 B N > + 0 0 32 -43,-0.2 4,-2.5 -44,-0.2 5,-0.2 0.049 38.6 122.7-133.7 28.9 15.8 0.6 12.1 189 74 B G H > S+ 0 0 0 -45,-2.3 4,-2.2 2,-0.2 -45,-0.2 0.843 78.9 53.3 -54.9 -41.9 12.3 0.1 10.7 190 75 B T H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 111.3 44.9 -64.3 -49.9 11.7 3.8 10.5 191 76 B Q H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.927 111.4 54.6 -60.6 -36.2 14.9 4.4 8.5 192 77 B N H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.881 108.7 49.6 -64.1 -38.9 14.0 1.3 6.3 193 78 B L H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.952 110.3 48.0 -62.5 -50.8 10.6 2.9 5.6 194 79 B N H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 112.7 50.7 -59.1 -38.0 12.1 6.3 4.6 195 80 B N H X S+ 0 0 94 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.901 110.1 48.6 -60.2 -47.7 14.6 4.4 2.4 196 81 B A H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.875 109.9 52.8 -60.8 -42.1 11.8 2.4 0.7 197 82 B K H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.936 111.1 45.9 -56.8 -48.7 9.8 5.7 0.2 198 83 B Q H X S+ 0 0 76 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.876 111.0 53.1 -65.5 -37.4 12.9 7.3 -1.5 199 84 B A H X S+ 0 0 43 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.912 110.2 47.7 -65.8 -38.9 13.5 4.2 -3.7 200 85 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 112.4 49.8 -62.8 -46.2 9.9 4.3 -4.9 201 86 B I H X S+ 0 0 16 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.916 109.4 51.0 -59.2 -46.4 10.2 8.0 -5.6 202 87 B T H X S+ 0 0 80 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.927 110.6 48.6 -58.1 -48.0 13.3 7.6 -7.6 203 88 B A H < S+ 0 0 25 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.910 111.8 50.1 -59.1 -38.0 11.8 4.8 -9.7 204 89 B I H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.952 110.4 49.9 -69.6 -44.0 8.7 7.0 -10.3 205 90 B N H 3< S+ 0 0 77 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 111.0 48.4 -61.3 -34.4 10.9 9.8 -11.4 206 91 B G T 3< S+ 0 0 63 -4,-2.2 2,-1.5 -5,-0.2 -1,-0.3 0.368 82.8 105.3 -83.6 3.5 12.9 7.6 -13.7 207 92 B A X - 0 0 4 -3,-1.4 3,-1.6 -4,-0.3 -1,-0.1 -0.627 49.2-178.1 -90.6 85.5 9.7 6.2 -15.3 208 93 B S T 3 S+ 0 0 96 -2,-1.5 -1,-0.2 1,-0.3 -4,-0.0 0.630 72.8 57.2 -62.3 -20.3 9.8 8.1 -18.6 209 94 B D T 3 S+ 0 0 123 -3,-0.1 -1,-0.3 33,-0.1 2,-0.2 0.623 86.1 94.4 -89.8 -12.6 6.6 6.7 -20.0 210 95 B L S < S- 0 0 11 -3,-1.6 2,-0.1 -6,-0.2 32,-0.0 -0.512 71.5-132.8 -77.5 142.3 4.4 7.8 -17.1 211 96 B N > - 0 0 83 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.409 30.1 -96.3 -88.0 173.6 2.6 11.2 -17.4 212 97 B Q H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 123.0 52.9 -57.7 -41.7 2.6 13.9 -14.7 213 98 B K H > S+ 0 0 172 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 112.0 44.6 -60.4 -48.5 -0.8 12.8 -13.3 214 99 B Q H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 113.5 50.3 -63.7 -47.1 0.4 9.1 -12.9 215 100 B K H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.936 110.9 50.0 -57.2 -46.4 3.7 10.2 -11.4 216 101 B D H X S+ 0 0 80 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.891 111.3 48.0 -57.3 -43.7 1.9 12.4 -8.9 217 102 B A H X S+ 0 0 49 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.920 113.5 46.7 -67.5 -44.6 -0.5 9.7 -7.8 218 103 B L H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.861 110.2 53.7 -64.1 -35.5 2.2 7.2 -7.3 219 104 B K H X S+ 0 0 60 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.907 107.2 52.5 -67.4 -41.0 4.4 9.8 -5.4 220 105 B A H X S+ 0 0 64 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.917 109.4 48.7 -55.7 -49.1 1.4 10.3 -3.0 221 106 B Q H X S+ 0 0 98 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.919 113.5 47.4 -56.6 -45.5 1.1 6.6 -2.4 222 107 B A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.943 112.5 47.4 -64.9 -48.0 4.9 6.3 -1.7 223 108 B N H 3< S+ 0 0 22 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.754 114.1 48.4 -64.8 -25.4 5.0 9.3 0.6 224 109 B G H 3< S+ 0 0 20 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.538 78.9 130.6 -90.7 -1.7 1.9 8.0 2.5 225 110 B A << - 0 0 2 -3,-1.1 -28,-0.1 -4,-0.7 3,-0.1 -0.171 37.6-169.7 -60.6 127.6 3.2 4.4 2.9 226 111 B Q S S+ 0 0 120 1,-0.1 2,-0.3 -214,-0.0 -1,-0.2 0.573 71.7 35.2 -93.1 -18.3 2.9 3.3 6.5 227 112 B R S >> S- 0 0 87 1,-0.1 4,-1.5 -34,-0.1 3,-0.8 -0.963 84.6-114.6-134.8 152.8 4.9 0.1 6.1 228 113 B V H 3> S+ 0 0 20 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.898 115.3 58.6 -51.7 -43.0 8.0 -0.8 4.0 229 114 B S H 3> S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.832 101.7 55.1 -60.4 -33.1 5.9 -3.3 2.0 230 115 B N H <> S+ 0 0 55 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.911 109.9 44.9 -70.0 -41.7 3.5 -0.5 0.9 231 116 B A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.864 112.4 51.4 -66.6 -38.9 6.3 1.6 -0.5 232 117 B Q H X S+ 0 0 110 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.858 108.2 53.2 -63.6 -37.2 7.8 -1.4 -2.2 233 118 B D H X S+ 0 0 91 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.917 107.7 51.4 -62.4 -43.6 4.4 -2.2 -3.8 234 119 B V H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.930 109.4 49.8 -58.7 -47.1 4.2 1.4 -5.1 235 120 B Q H X S+ 0 0 66 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.933 113.0 45.8 -57.1 -48.4 7.7 0.9 -6.7 236 121 B H H X S+ 0 0 109 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.914 112.9 50.9 -59.7 -45.4 6.7 -2.3 -8.3 237 122 B N H X S+ 0 0 82 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.893 109.7 49.7 -63.0 -40.8 3.4 -0.8 -9.5 238 123 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.884 112.9 46.7 -60.0 -44.3 5.1 2.2 -11.0 239 124 B T H X S+ 0 0 70 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.879 113.7 48.2 -68.5 -45.3 7.6 -0.0 -12.9 240 125 B E H >< S+ 0 0 115 -4,-2.8 3,-0.5 2,-0.2 -2,-0.2 0.916 113.8 46.8 -58.2 -47.9 4.9 -2.3 -14.1 241 126 B L H 3< S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 108.7 56.2 -65.2 -36.8 2.8 0.7 -15.3 242 127 B N H 3< 0 0 30 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.774 360.0 360.0 -65.3 -24.9 5.8 2.2 -16.9 243 128 B T << 0 0 131 -4,-1.1 -36,-0.0 -3,-0.5 -3,-0.0 -0.402 360.0 360.0-107.8 360.0 6.4 -0.9 -19.1