==== 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 UNKNOWN FUNCTION 20-OCT-09 3KBY . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.LAM,C.M.THOMPSON,K.P.BATTAILE,V.ROMANOV,G.KISSELMAN,E.GORD . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 68.3 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 . 6 2.1 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 . 2 0.7 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 1 2 0 0 0 2 1 0 4 2 0 0 0 0 0 1 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 2 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 . 2 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 G 0 0 95 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-158.1 -32.1 9.4 27.1 2 -1 A S > - 0 0 74 1,-0.1 4,-2.2 3,-0.0 5,-0.1 -0.059 360.0-102.7 -69.9 173.0 -32.3 13.2 26.4 3 0 A H H > S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.876 122.5 54.2 -66.0 -39.3 -31.6 14.9 23.1 4 1 A X H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 108.1 51.7 -57.8 -40.4 -28.2 16.2 24.3 5 2 A F H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.941 109.0 49.5 -63.2 -46.5 -27.4 12.5 25.1 6 3 A N H X S+ 0 0 63 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.914 112.2 48.6 -55.5 -45.0 -28.4 11.5 21.6 7 4 A X H X S+ 0 0 111 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.869 112.0 48.3 -64.8 -38.0 -26.3 14.2 20.1 8 5 A L H X S+ 0 0 85 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.910 109.9 51.9 -69.2 -42.9 -23.3 13.2 22.2 9 6 A E H X S+ 0 0 82 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.872 110.1 49.9 -59.6 -40.1 -23.6 9.5 21.4 10 7 A Q H X S+ 0 0 105 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.860 108.0 51.3 -69.5 -38.4 -23.7 10.4 17.7 11 8 A Q H X S+ 0 0 105 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.917 112.9 48.2 -59.8 -43.7 -20.6 12.5 17.9 12 9 A I H X S+ 0 0 70 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 113.7 45.1 -62.8 -49.8 -18.9 9.6 19.7 13 10 A I H X S+ 0 0 68 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.932 113.5 50.9 -60.6 -44.8 -20.1 7.1 17.1 14 11 A H H X S+ 0 0 109 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.908 109.6 49.4 -61.5 -42.7 -19.0 9.4 14.2 15 12 A S H X S+ 0 0 53 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.862 110.2 51.3 -67.5 -33.8 -15.6 9.9 15.7 16 13 A Q H X S+ 0 0 105 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 110.3 49.8 -64.3 -42.0 -15.1 6.1 16.0 17 14 A D H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 111.0 49.4 -62.7 -43.4 -16.2 5.7 12.4 18 15 A X H X S+ 0 0 69 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.900 107.9 53.4 -65.3 -39.3 -13.7 8.4 11.4 19 16 A A H X S+ 0 0 33 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.903 109.6 49.4 -59.1 -41.4 -10.9 6.6 13.4 20 17 A H H < S+ 0 0 133 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.908 110.7 50.0 -62.8 -44.8 -11.7 3.4 11.4 21 18 A F H >< S+ 0 0 109 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.933 109.1 51.1 -56.6 -50.4 -11.6 5.4 8.1 22 19 A R H >< S+ 0 0 44 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.794 97.0 69.9 -59.7 -28.8 -8.1 6.9 9.0 23 20 A S T 3< S+ 0 0 49 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.724 96.0 53.8 -63.1 -22.8 -6.8 3.4 9.8 24 21 A E T < S+ 0 0 112 -3,-1.6 -1,-0.3 -4,-0.4 124,-0.2 0.395 86.8 110.8 -92.1 0.1 -6.9 2.5 6.1 25 22 A F S < S- 0 0 27 -3,-1.7 2,-0.3 -4,-0.2 123,-0.1 -0.236 80.0 -93.9 -68.6 161.5 -4.8 5.6 5.0 26 23 A F + 0 0 38 105,-0.2 2,-0.3 106,-0.1 -1,-0.1 -0.617 48.7 175.4 -68.9 135.9 -1.3 5.3 3.6 27 24 A Y - 0 0 32 -2,-0.3 3,-0.1 1,-0.1 4,-0.0 -0.986 38.4-133.4-137.0 148.3 1.3 5.8 6.3 28 25 A V S S- 0 0 57 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.833 87.8 -27.8 -69.4 -28.6 5.1 5.5 6.0 29 26 A N S > S- 0 0 61 -3,-0.1 4,-1.6 1,-0.0 -1,-0.2 -0.957 74.2 -81.8-167.4-179.6 5.0 3.3 9.1 30 27 A H H > S+ 0 0 132 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.807 123.9 58.3 -65.5 -30.8 3.1 2.7 12.4 31 28 A E H > S+ 0 0 80 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.926 102.3 53.9 -61.2 -47.1 4.9 5.6 14.1 32 29 A H H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 110.6 47.2 -52.4 -46.3 3.6 8.0 11.4 33 30 A R H X S+ 0 0 108 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.929 112.3 48.2 -62.5 -45.9 0.0 6.7 12.2 34 31 A E H X S+ 0 0 129 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.927 112.2 49.9 -61.3 -45.8 0.5 7.1 16.0 35 32 A N H X S+ 0 0 18 -4,-3.1 4,-2.7 25,-0.2 -1,-0.2 0.884 108.0 54.1 -56.1 -43.7 1.9 10.6 15.5 36 33 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.941 108.4 47.2 -61.7 -47.2 -1.0 11.6 13.3 37 34 A E H X S+ 0 0 45 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.889 112.6 51.3 -63.5 -38.8 -3.6 10.5 15.9 38 35 A A H X S+ 0 0 38 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.895 111.2 47.0 -62.4 -42.5 -1.7 12.4 18.6 39 36 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.883 106.5 57.4 -70.5 -36.1 -1.6 15.6 16.5 40 37 A L H < S+ 0 0 16 -4,-2.5 6,-0.3 1,-0.2 7,-0.3 0.885 109.3 46.6 -61.0 -38.3 -5.3 15.3 15.7 41 38 A I H < S+ 0 0 119 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.924 114.2 47.8 -65.6 -47.2 -6.0 15.4 19.4 42 39 A Y H < S+ 0 0 93 -4,-2.0 2,-1.2 1,-0.2 -2,-0.2 0.929 110.7 50.8 -61.9 -49.4 -3.6 18.3 19.9 43 40 A Y >< - 0 0 15 -4,-3.3 3,-2.1 1,-0.2 -1,-0.2 -0.666 69.4-178.3 -93.2 81.1 -5.0 20.5 17.1 44 41 A K G > S+ 0 0 147 -2,-1.2 3,-1.1 1,-0.3 4,-0.3 0.676 75.0 71.0 -53.6 -27.7 -8.8 20.4 17.8 45 42 A N G 3> S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.432 81.1 79.7 -65.1 -2.9 -9.6 22.5 14.7 46 43 A S G <4 S+ 0 0 3 -3,-2.1 7,-0.3 -6,-0.3 -1,-0.2 0.855 77.6 67.5 -74.7 -34.5 -8.7 19.4 12.7 47 44 A I T <4 S+ 0 0 130 -3,-1.1 -1,-0.2 -7,-0.3 -2,-0.2 0.776 120.1 17.5 -57.5 -28.4 -12.1 17.8 13.4 48 45 A D T 4 S+ 0 0 111 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.638 115.0 67.9-120.2 -20.3 -13.8 20.4 11.2 49 46 A N >X - 0 0 68 -4,-2.0 4,-1.9 1,-0.1 3,-1.2 -0.880 60.1-161.0-106.2 105.8 -11.1 22.1 9.1 50 47 A P H 3> S+ 0 0 24 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.781 90.5 61.7 -53.0 -29.2 -9.6 19.6 6.4 51 48 A I H 3> S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 89,-0.1 0.866 105.9 44.7 -67.6 -37.2 -6.6 21.9 6.0 52 49 A V H <> S+ 0 0 18 -3,-1.2 4,-2.5 -7,-0.3 -6,-0.2 0.910 112.4 52.1 -71.2 -43.4 -5.6 21.4 9.7 53 50 A D H X S+ 0 0 10 -4,-1.9 4,-1.8 -7,-0.3 -2,-0.2 0.954 111.0 47.6 -54.3 -51.7 -6.3 17.6 9.4 54 51 A G H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.910 109.6 53.7 -57.2 -42.7 -4.0 17.5 6.4 55 52 A A H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.915 105.8 52.3 -59.3 -45.8 -1.4 19.5 8.2 56 53 A C H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.857 105.4 56.5 -54.0 -40.4 -1.4 17.0 11.1 57 54 A Y H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.900 112.9 40.4 -61.6 -39.3 -0.9 14.2 8.6 58 55 A I H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 6,-0.2 0.931 113.1 52.4 -74.1 -49.0 2.3 15.9 7.3 59 56 A L H 3< S+ 0 0 0 -4,-3.0 6,-0.3 1,-0.3 -2,-0.2 0.790 101.2 65.2 -57.9 -29.0 3.6 17.0 10.7 60 57 A A T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -25,-0.2 0.609 70.6 115.7 -68.2 -17.8 3.2 13.3 11.8 61 58 A L S X> S- 0 0 6 -3,-1.9 4,-3.3 -4,-0.2 3,-1.6 -0.418 74.9-128.1 -55.1 125.5 5.9 12.2 9.4 62 59 A P H 3> S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 106.9 58.2 -51.7 -36.5 8.6 10.8 11.7 63 60 A E H 34 S+ 0 0 117 2,-0.2 4,-0.2 1,-0.2 -2,-0.1 0.842 119.4 31.2 -62.6 -32.0 11.4 12.9 10.0 64 61 A I H X> S+ 0 0 0 -3,-1.6 4,-1.3 -6,-0.2 3,-1.3 0.916 119.3 52.0 -85.4 -54.7 9.3 16.0 10.9 65 62 A F H 3< S+ 0 0 40 -4,-3.3 5,-0.4 1,-0.3 -2,-0.2 0.821 115.0 42.0 -51.5 -39.7 7.7 14.8 14.2 66 63 A N T 3< S+ 0 0 118 -4,-2.5 -1,-0.3 -5,-0.3 -3,-0.1 0.550 119.2 42.4 -90.2 -8.7 11.0 13.8 15.7 67 64 A S T <4 S+ 0 0 78 -3,-1.3 2,-0.4 -5,-0.2 -2,-0.2 0.441 111.7 56.6-115.0 -4.5 13.1 16.8 14.6 68 65 A V S < S- 0 0 15 -4,-1.3 2,-1.9 -9,-0.1 3,-0.1 -0.989 79.3-124.2-135.7 134.9 10.6 19.5 15.3 69 66 A D > + 0 0 94 -2,-0.4 3,-1.2 1,-0.2 4,-0.4 -0.588 38.3 170.6 -77.5 85.6 8.7 20.6 18.5 70 67 A V T 3 + 0 0 2 -2,-1.9 -1,-0.2 -5,-0.4 3,-0.2 0.612 69.5 60.5 -74.6 -13.4 5.2 20.2 16.9 71 68 A F T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.291 94.4 64.4 -97.1 8.6 3.4 20.7 20.2 72 69 A E S < S+ 0 0 144 -3,-1.2 2,-0.3 3,-0.1 -1,-0.2 0.668 83.9 83.7-101.1 -22.8 4.9 24.2 20.9 73 70 A S - 0 0 7 -4,-0.4 6,-0.0 -3,-0.2 0, 0.0 -0.662 64.7-148.9 -92.9 136.3 3.3 26.1 17.9 74 71 A E S S+ 0 0 165 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.893 90.9 43.7 -67.0 -39.0 -0.3 27.5 18.1 75 72 A L S > S- 0 0 118 1,-0.1 3,-1.9 -3,-0.0 4,-0.3 -0.877 94.2-115.4-110.8 141.0 -0.7 26.9 14.3 76 73 A P T 3 S+ 0 0 18 0, 0.0 3,-0.3 0, 0.0 -3,-0.1 0.779 109.6 24.2 -43.3 -47.5 0.4 23.7 12.6 77 74 A F T > S+ 0 0 23 1,-0.2 3,-2.0 2,-0.1 4,-0.5 0.092 81.5 119.7-113.6 24.8 3.2 25.2 10.3 78 75 A S T < S+ 0 0 60 -3,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.765 72.8 59.0 -61.0 -23.2 4.1 28.3 12.3 79 76 A W T 3 S+ 0 0 28 -4,-0.3 11,-0.4 -3,-0.3 -1,-0.3 0.486 87.4 79.6 -82.4 -4.4 7.7 27.1 12.7 80 77 A V S < S+ 0 0 0 -3,-2.0 7,-2.2 1,-0.2 2,-0.3 0.890 101.6 0.1 -77.4 -41.0 8.3 26.9 8.9 81 78 A Y E +A 86 0A 101 -4,-0.5 5,-0.2 -3,-0.3 2,-0.2 -0.954 52.9 179.5-146.9 160.6 9.0 30.6 8.1 82 79 A D E > -A 85 0A 74 3,-2.2 3,-2.1 -2,-0.3 -3,-0.0 -0.731 60.9 -60.8-142.3-165.1 9.3 34.1 9.6 83 80 A E T 3 S+ 0 0 166 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.696 132.6 53.1 -58.3 -20.2 10.1 37.6 8.3 84 81 A N T 3 S- 0 0 141 1,-0.4 -1,-0.3 0, 0.0 2,-0.3 0.332 117.7-104.2 -99.8 7.3 13.5 36.4 7.1 85 82 A G E < S+A 82 0A 35 -3,-2.1 -3,-2.2 0, 0.0 -1,-0.4 -0.727 78.1 4.9 106.7-155.3 12.3 33.4 5.1 86 83 A I E S-A 81 0A 39 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.325 79.2-120.3 -66.6 148.5 12.4 29.7 5.9 87 84 A T > - 0 0 27 -7,-2.2 4,-2.5 -8,-0.2 5,-0.2 -0.333 21.8-105.3 -85.8 167.3 13.7 29.0 9.4 88 85 A E H > S+ 0 0 137 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.854 121.5 56.9 -59.5 -34.5 16.7 26.9 10.5 89 86 A T H 4 S+ 0 0 57 -10,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.921 108.5 45.2 -63.1 -45.4 14.3 24.1 11.5 90 87 A X H >4 S+ 0 0 0 -11,-0.4 3,-1.6 1,-0.2 -2,-0.2 0.926 110.4 54.6 -62.6 -45.9 12.7 24.0 8.1 91 88 A K H 3< S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.772 100.2 62.0 -59.0 -27.7 16.2 24.1 6.4 92 89 A S T 3< S+ 0 0 82 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.621 87.2 91.8 -75.2 -15.5 17.3 21.0 8.5 93 90 A L S < S- 0 0 11 -3,-1.6 5,-0.1 -4,-0.4 -29,-0.1 -0.489 93.9 -88.6 -78.8 152.3 14.6 18.8 6.9 94 91 A S > - 0 0 41 -2,-0.1 4,-2.2 1,-0.1 3,-0.5 -0.265 40.1-114.0 -53.9 144.7 15.3 16.7 3.8 95 92 A I H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.904 115.0 51.5 -52.1 -49.0 14.7 18.7 0.5 96 93 A P H > S+ 0 0 38 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.854 110.2 49.7 -62.3 -31.5 11.8 16.5 -0.6 97 94 A L H > S+ 0 0 8 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.856 106.2 56.6 -71.9 -36.0 10.1 16.9 2.8 98 95 A Q H X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.923 106.3 50.5 -56.9 -41.5 10.6 20.7 2.4 99 96 A Y H X S+ 0 0 35 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.887 109.2 50.4 -63.3 -41.0 8.7 20.4 -0.9 100 97 A L H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.922 112.0 47.1 -61.4 -46.2 5.8 18.6 0.8 101 98 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.932 113.2 49.1 -61.8 -43.8 5.6 21.2 3.6 102 99 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.893 109.0 52.2 -65.8 -37.2 5.7 23.9 1.0 103 100 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.900 107.9 52.6 -66.4 -37.2 3.0 22.2 -1.1 104 101 A A H X S+ 0 0 3 -4,-2.2 4,-0.8 1,-0.2 3,-0.4 0.917 109.5 48.3 -61.8 -43.9 0.8 22.1 2.0 105 102 A L H ><>S+ 0 0 11 -4,-2.1 5,-1.9 1,-0.2 3,-0.9 0.883 104.6 60.9 -64.1 -34.7 1.3 25.8 2.6 106 103 A E H ><5S+ 0 0 3 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.810 92.8 64.4 -63.3 -29.7 0.4 26.4 -1.1 107 104 A V H 3<5S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.870 105.9 45.1 -57.0 -34.7 -3.0 24.8 -0.5 108 105 A T T <<5S- 0 0 57 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.305 124.6-107.0 -91.7 9.1 -3.5 27.8 1.8 109 106 A D T < 5S+ 0 0 76 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.846 78.8 133.8 65.9 38.2 -2.1 30.3 -0.8 110 107 A V < - 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0 0 25 -7,-2.6 4,-2.2 -8,-0.2 5,-0.2 -0.307 18.6-107.6 -86.3 168.0 -6.4 32.5 -25.0 234 85 B E H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.876 119.3 57.5 -58.2 -41.8 -10.2 32.5 -25.7 235 86 B T H > S+ 0 0 47 -10,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.918 108.0 47.1 -56.7 -46.6 -10.2 28.7 -25.9 236 87 B X H >4 S+ 0 0 0 -11,-0.4 3,-1.3 -10,-0.2 -2,-0.2 0.938 111.5 49.7 -59.4 -50.0 -8.8 28.5 -22.3 237 88 B K H 3< S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.778 103.3 62.7 -60.1 -28.9 -11.3 31.1 -21.0 238 89 B S H 3< S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.659 86.0 94.0 -73.6 -18.5 -14.1 29.1 -22.6 239 90 B L S << S- 0 0 5 -3,-1.3 5,-0.1 -4,-0.6 -29,-0.1 -0.398 91.6 -89.4 -76.1 150.5 -13.5 26.0 -20.4 240 91 B S > - 0 0 42 1,-0.1 4,-2.0 -2,-0.1 3,-0.5 -0.227 43.6-112.6 -51.1 148.7 -15.3 25.2 -17.1 241 92 B I H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.905 113.6 53.2 -58.9 -46.1 -13.4 26.7 -14.2 242 93 B P H > S+ 0 0 35 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.842 109.5 50.7 -62.8 -28.7 -12.3 23.4 -12.6 243 94 B L H > S+ 0 0 14 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.877 105.6 55.2 -72.4 -37.7 -10.8 22.3 -15.9 244 95 B Q H X S+ 0 0 23 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.915 106.4 52.9 -58.5 -40.1 -8.9 25.6 -16.2 245 96 B Y H X S+ 0 0 38 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.893 107.5 50.4 -60.3 -42.0 -7.4 24.8 -12.8 246 97 B L H X S+ 0 0 3 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.927 112.0 46.6 -63.2 -46.0 -6.3 21.3 -14.0 247 98 B V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 114.1 48.6 -61.1 -44.2 -4.6 22.8 -17.1 248 99 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.907 109.3 52.0 -63.3 -44.2 -3.0 25.5 -15.0 249 100 B A H X S+ 0 0 1 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.901 109.8 50.0 -58.0 -41.1 -1.7 22.9 -12.4 250 101 B A H >X S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.911 109.9 49.9 -64.0 -42.7 -0.2 20.9 -15.2 251 102 B L H ><>S+ 0 0 9 -4,-2.2 5,-2.0 1,-0.2 3,-1.1 0.869 102.9 62.1 -62.9 -34.0 1.5 24.0 -16.6 252 103 B E H ><5S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.790 91.0 66.6 -63.8 -26.2 2.8 24.7 -13.0 253 104 B V H <<5S+ 0 0 1 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.830 104.8 44.1 -61.6 -31.8 4.7 21.4 -13.2 254 105 B T T <<5S- 0 0 62 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.209 125.0-106.8 -95.4 13.3 6.9 23.0 -15.9 255 106 B D T < 5S+ 0 0 65 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.827 77.0 137.2 61.3 35.9 7.1 26.2 -13.8 256 107 B V < - 0 0 39 -5,-2.0 2,-0.7 -8,-0.2 -1,-0.2 -0.973 35.6-167.1-105.7 117.0 4.7 28.1 -16.1 257 108 B N + 0 0 75 -2,-0.6 -8,-0.1 1,-0.1 -9,-0.1 -0.856 22.3 159.2-117.2 100.1 2.4 30.0 -13.7 258 109 B I + 0 0 41 -2,-0.7 2,-0.3 -10,-0.2 -26,-0.1 0.692 58.5 52.2 -96.1 -20.7 -0.7 31.5 -15.4 259 110 B F S S- 0 0 42 -11,-0.1 4,-0.2 -14,-0.1 -1,-0.0 -0.866 71.0-128.5-119.7 153.5 -3.1 32.0 -12.4 260 111 B K S S+ 0 0 203 -2,-0.3 2,-0.2 1,-0.2 3,-0.0 -0.960 106.6 34.4-139.1 118.1 -2.9 33.7 -9.0 261 112 B P S S- 0 0 45 0, 0.0 -1,-0.2 0, 0.0 -155,-0.0 0.656 121.1-108.1 -57.6 159.4 -3.8 31.9 -6.8 262 113 B S > - 0 0 24 -2,-0.2 4,-2.8 -156,-0.1 5,-0.3 -0.054 16.1-110.4 -63.1 159.9 -2.3 29.0 -8.7 263 114 B G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 121.4 51.2 -52.9 -45.1 -4.2 26.2 -10.5 264 115 B F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 110.8 47.4 -59.5 -48.7 -2.9 23.8 -7.8 265 116 B T H > S+ 0 0 4 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.945 115.9 43.6 -59.3 -49.0 -4.1 26.1 -4.9 266 117 B X H >< S+ 0 0 50 -4,-2.8 3,-0.8 1,-0.2 4,-0.4 0.904 114.1 50.6 -67.8 -39.6 -7.6 26.6 -6.5 267 118 B G H >X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 3,-1.4 0.909 105.3 56.1 -63.4 -42.3 -8.0 23.0 -7.4 268 119 B X H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.646 113.3 42.3 -66.2 -16.1 -7.1 21.8 -3.9 269 120 B N T << S+ 0 0 65 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.405 130.8 19.9-104.9 1.8 -9.9 24.0 -2.6 270 121 B N T <4 S+ 0 0 86 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.2 0.621 79.8 119.4-142.8 -29.7 -12.5 23.2 -5.2 271 122 B W < - 0 0 0 -4,-3.0 2,-0.1 -5,-0.2 -127,-0.0 -0.216 49.5-139.9 -60.8 140.9 -12.1 20.0 -7.2 272 123 B N > - 0 0 58 -128,-0.2 4,-2.6 1,-0.0 5,-0.2 -0.196 37.0 -85.8 -85.7-175.4 -14.8 17.3 -7.0 273 124 B I H > S+ 0 0 71 -128,-2.5 4,-2.5 2,-0.2 5,-0.2 0.936 128.5 48.3 -59.9 -51.4 -14.1 13.6 -6.9 274 125 B A H > S+ 0 0 45 -129,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.918 113.8 48.2 -54.7 -44.8 -13.9 13.1 -10.7 275 126 B Q H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 109.8 51.6 -66.4 -37.8 -11.5 16.0 -10.9 276 127 B X H X S+ 0 0 3 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.908 109.8 50.4 -62.5 -41.4 -9.3 14.7 -8.0 277 128 B R H X S+ 0 0 112 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.910 110.3 48.9 -66.2 -39.9 -9.1 11.4 -9.8 278 129 B I H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.951 113.1 48.9 -60.1 -49.1 -8.0 13.1 -13.1 279 130 B F H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.930 112.8 46.7 -56.0 -49.5 -5.5 15.1 -11.1 280 131 B W H X S+ 0 0 27 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.927 113.2 47.4 -63.2 -46.2 -4.1 11.9 -9.3 281 132 B Q H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.912 111.3 52.8 -62.8 -40.7 -3.9 9.9 -12.5 282 133 B Y H X S+ 0 0 3 -4,-2.8 4,-2.4 -5,-0.2 3,-0.3 0.947 107.7 51.2 -53.2 -51.0 -2.2 12.8 -14.2 283 134 B T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.826 106.0 54.9 -60.5 -31.5 0.4 13.0 -11.4 284 135 B A H < S+ 0 0 0 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.875 108.8 48.3 -72.0 -34.7 1.2 9.3 -11.7 285 136 B I H >< S+ 0 0 0 -4,-1.6 3,-1.7 -3,-0.3 -2,-0.2 0.955 111.2 50.1 -66.8 -48.9 2.0 9.7 -15.4 286 137 B I H 3< S+ 0 0 7 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.871 116.9 41.0 -57.0 -39.3 4.2 12.8 -14.6 287 138 B R T >< S+ 0 0 37 -4,-2.1 3,-2.2 1,-0.2 -1,-0.3 -0.015 73.6 126.9-101.3 29.3 6.1 10.9 -12.0 288 139 B K T < S+ 0 0 20 -3,-1.7 -127,-0.3 1,-0.3 -1,-0.2 0.773 72.3 57.0 -59.2 -23.6 6.4 7.6 -13.9 289 140 B E T 3 S+ 0 0 127 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.463 79.8 121.2 -86.7 -0.8 10.2 7.6 -13.4 290 141 B A < 0 0 7 -3,-2.2 -164,-0.1 1,-0.1 -165,-0.1 -0.301 360.0 360.0 -64.7 147.0 9.9 7.8 -9.5 291 142 B L 0 0 182 0, 0.0 -1,-0.1 0, 0.0 -165,-0.1 0.473 360.0 360.0-121.4 360.0 11.5 4.9 -7.6