==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-DEC-06 2O6K . COMPND 2 MOLECULE: UPF0346 PROTEIN MW1311; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.BENACH,M.ABASHIDZE,J.SEETHARAMAN,D.WANG,Y.FANG,R.XIAO,K.CU . 146 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 70.5 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 . 7 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 2 1 0 3 0 0 0 0 0 1 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 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 Y 0 0 173 0, 0.0 2,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 136.0 30.7 50.9 -3.2 2 5 A S > - 0 0 7 30,-0.2 4,-2.3 1,-0.1 33,-0.2 -0.358 360.0-104.0 -83.9 170.0 27.0 50.2 -2.7 3 6 A F H > S+ 0 0 0 31,-1.7 4,-3.0 1,-0.2 5,-0.2 0.910 123.2 53.9 -59.0 -42.8 25.3 50.3 0.8 4 7 A Y H > S+ 0 0 20 30,-0.6 4,-1.9 27,-0.3 -1,-0.2 0.919 106.8 49.8 -58.1 -47.3 25.3 46.5 0.8 5 8 A Q H > S+ 0 0 89 27,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.933 111.9 48.9 -59.6 -47.1 29.0 46.3 0.1 6 9 A F H >X S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 4,-0.8 0.943 107.5 55.1 -54.5 -49.6 29.7 48.7 2.9 7 10 A V H >X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.3 3,-1.0 0.848 99.6 62.4 -53.3 -35.7 27.4 46.6 5.2 8 11 A X H 3< S+ 0 0 48 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.833 99.7 52.0 -59.4 -37.2 29.5 43.7 4.4 9 12 A T H << S+ 0 0 92 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.637 104.6 59.4 -74.1 -17.3 32.6 45.4 6.0 10 13 A V H X< S+ 0 0 3 -3,-1.0 3,-2.2 -4,-0.8 -2,-0.2 0.713 77.5 114.7 -82.7 -22.8 30.5 46.0 9.1 11 14 A R T 3< S+ 0 0 92 -4,-1.0 3,-0.1 -3,-0.3 8,-0.1 -0.178 73.4 31.3 -51.5 136.2 29.8 42.3 9.6 12 15 A G T 3 S+ 0 0 52 6,-0.4 -1,-0.3 1,-0.4 6,-0.1 0.048 80.2 137.8 102.4 -24.9 31.3 41.0 12.8 13 16 A R < - 0 0 43 -3,-2.2 2,-1.3 1,-0.1 -1,-0.4 -0.291 59.8-125.4 -56.2 138.0 31.0 44.3 14.7 14 17 A H S S+ 0 0 38 4,-0.1 2,-0.2 -3,-0.1 126,-0.2 -0.285 78.6 62.9 -89.9 53.2 29.8 43.5 18.3 15 18 A D S > S- 0 0 5 -2,-1.3 4,-2.2 124,-0.1 3,-0.2 -0.865 102.8 -70.2-151.8-169.5 26.8 45.8 18.4 16 19 A D H > S+ 0 0 61 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.823 126.9 54.3 -60.3 -35.2 23.4 46.4 16.8 17 20 A K H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 109.8 47.5 -65.3 -42.6 24.9 47.6 13.5 18 21 A G H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -6,-0.4 0.883 112.0 50.3 -65.8 -37.0 26.9 44.4 13.3 19 22 A R H X S+ 0 0 88 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.922 112.7 45.4 -67.1 -42.5 23.8 42.3 14.1 20 23 A L H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.861 107.9 59.4 -67.1 -35.2 21.8 44.1 11.4 21 24 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 105.4 48.7 -58.5 -43.9 24.7 43.7 9.0 22 25 A E H X S+ 0 0 62 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.882 110.6 49.7 -66.4 -37.2 24.4 39.9 9.5 23 26 A E H X S+ 0 0 45 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.899 108.9 52.3 -69.1 -39.3 20.6 39.9 8.9 24 27 A I H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 6,-0.3 0.919 110.4 49.9 -59.9 -41.2 21.1 42.0 5.7 25 28 A F H < S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 109.5 49.9 -59.3 -43.5 23.6 39.4 4.7 26 29 A D H < S+ 0 0 100 -4,-2.2 2,-1.2 -5,-0.1 -1,-0.2 0.663 88.6 95.4 -73.3 -16.4 21.2 36.6 5.4 27 30 A D >< - 0 0 34 -4,-1.3 3,-1.7 -3,-0.4 -1,-0.1 -0.642 57.2-169.8 -79.3 97.3 18.5 38.4 3.4 28 31 A L T 3 S+ 0 0 164 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.605 84.4 53.1 -62.3 -10.8 18.8 36.7 -0.1 29 32 A A T 3 S+ 0 0 62 18,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.504 76.4 125.5-104.2 -7.3 16.5 39.4 -1.5 30 33 A F S < S- 0 0 8 -3,-1.7 2,-0.7 -6,-0.3 10,-0.0 -0.231 72.8-105.5 -60.9 139.8 18.3 42.5 -0.3 31 34 A P - 0 0 23 0, 0.0 3,-0.4 0, 0.0 -27,-0.3 -0.555 38.1-173.0 -73.5 111.7 19.2 45.0 -3.1 32 35 A K S S+ 0 0 101 -2,-0.7 -27,-0.4 1,-0.2 -30,-0.2 0.570 73.9 40.5 -89.7 -12.9 22.9 44.6 -3.5 33 36 A H S S+ 0 0 163 -29,-0.1 2,-0.2 -31,-0.1 -1,-0.2 0.357 87.9 107.7-120.4 4.0 23.8 47.4 -5.9 34 37 A D + 0 0 64 -3,-0.4 -31,-1.7 1,-0.1 -30,-0.6 -0.567 29.4 168.4 -90.4 148.3 21.7 50.3 -4.6 35 38 A D + 0 0 90 -2,-0.2 2,-0.3 -33,-0.2 -1,-0.1 0.427 44.4 108.9-130.6 -10.9 23.0 53.3 -2.8 36 39 A D > - 0 0 70 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.568 63.3-140.0 -80.9 133.3 20.1 55.7 -2.8 37 40 A F H > S+ 0 0 74 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.917 98.5 47.8 -61.2 -50.3 18.4 56.1 0.6 38 41 A N H > S+ 0 0 112 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.911 110.5 51.6 -57.4 -46.2 14.8 56.1 -0.6 39 42 A I H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.961 115.6 42.8 -54.9 -52.5 15.2 53.0 -2.7 40 43 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 114.3 48.4 -61.2 -46.9 16.8 51.2 0.2 41 44 A S H X S+ 0 0 18 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.900 108.5 55.8 -63.9 -40.4 14.2 52.5 2.8 42 45 A D H X S+ 0 0 104 -4,-3.0 4,-2.1 -5,-0.3 5,-0.3 0.932 109.2 47.9 -49.8 -50.0 11.4 51.5 0.4 43 46 A Y H X>S+ 0 0 26 -4,-2.0 4,-3.3 -5,-0.2 5,-1.0 0.936 111.7 47.5 -60.0 -49.4 12.8 48.0 0.4 44 47 A I H X5S+ 0 0 17 -4,-2.4 4,-0.7 3,-0.2 -1,-0.2 0.884 112.3 50.8 -62.9 -38.7 13.2 47.7 4.2 45 48 A E H <5S+ 0 0 136 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.933 123.5 27.3 -63.7 -45.9 9.7 49.0 4.8 46 49 A T H <5S+ 0 0 91 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.829 140.8 17.8 -89.2 -35.7 8.0 46.6 2.4 47 50 A H H <5S+ 0 0 121 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.574 91.2 122.5-110.9 -16.8 10.3 43.6 2.3 48 51 A G << + 0 0 29 -5,-1.0 -4,-0.1 -4,-0.7 -7,-0.0 -0.232 28.3 173.1 -63.2 131.3 12.3 44.2 5.5 49 52 A D + 0 0 149 -26,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.430 26.6 144.0-133.1 58.4 12.1 41.4 8.0 50 53 A F - 0 0 44 -6,-0.2 4,-0.1 2,-0.2 -30,-0.1 -0.685 50.2-142.6-110.2 153.4 14.7 42.5 10.6 51 54 A T S S+ 0 0 113 -2,-0.3 -1,-0.1 2,-0.1 -31,-0.1 0.644 79.3 82.1 -87.4 -15.5 14.7 42.1 14.4 52 55 A L S S- 0 0 27 1,-0.1 -2,-0.2 -36,-0.1 5,-0.1 -0.590 90.3 -93.6 -93.7 154.1 16.4 45.5 15.0 53 56 A P >> - 0 0 78 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.253 33.3-114.3 -63.0 148.2 14.6 48.9 15.1 54 57 A X H 3> S+ 0 0 62 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.790 113.7 70.3 -53.2 -31.3 14.4 51.0 11.9 55 58 A S H 3> S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.811 90.1 60.9 -58.8 -30.9 16.6 53.5 13.5 56 59 A V H <> S+ 0 0 10 -3,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.926 104.3 47.9 -62.7 -44.9 19.5 51.0 13.3 57 60 A F H X S+ 0 0 4 -4,-0.7 4,-3.0 -3,-0.3 5,-0.2 0.940 111.5 50.7 -56.5 -49.8 19.2 51.1 9.5 58 61 A D H X S+ 0 0 62 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.924 112.3 46.6 -53.5 -48.8 19.1 54.9 9.5 59 62 A D H X S+ 0 0 74 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.903 111.7 52.1 -61.2 -42.5 22.2 54.9 11.7 60 63 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.912 110.9 46.6 -61.4 -44.9 23.9 52.4 9.4 61 64 A Y H X S+ 0 0 40 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.893 109.4 54.9 -64.2 -40.4 23.1 54.4 6.3 62 65 A E H X S+ 0 0 116 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.926 109.4 47.2 -55.8 -46.6 24.4 57.6 8.0 63 66 A E H X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.909 106.7 59.2 -62.0 -43.4 27.7 55.7 8.7 64 67 A Y H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 106.3 46.9 -47.1 -50.9 27.7 54.6 5.1 65 68 A T H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.912 112.8 47.5 -65.8 -44.3 27.7 58.2 3.9 66 69 A E H X S+ 0 0 50 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.913 111.3 54.1 -55.3 -44.2 30.4 59.3 6.3 67 70 A W H X S+ 0 0 44 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.883 107.8 48.6 -60.7 -43.2 32.4 56.3 5.2 68 71 A L H < S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.948 109.0 52.2 -63.4 -48.6 32.1 57.2 1.5 69 72 A K H < S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.788 106.1 57.2 -58.0 -25.2 33.3 60.8 2.2 70 73 A F H < S+ 0 0 147 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.891 104.2 55.0 -80.7 -42.5 36.2 59.3 4.0 71 74 A L < 0 0 66 -4,-1.9 0, 0.0 -3,-0.2 0, 0.0 -0.252 360.0 360.0 -57.1 172.7 37.2 57.4 1.0 72 75 A E 0 0 212 -2,-0.1 -3,-0.1 0, 0.0 -4,-0.0 -0.231 360.0 360.0 47.8 360.0 37.6 59.9 -1.8 73 !* 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 74 4 B Y 0 0 199 0, 0.0 2,-0.1 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 4.1 41.8 42.6 26.8 75 5 B S > - 0 0 20 1,-0.1 4,-2.5 30,-0.1 5,-0.1 -0.370 360.0-107.4 -87.3 171.0 41.1 45.8 28.8 76 6 B F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 116.9 47.3 -61.4 -54.4 38.5 48.6 28.1 77 7 B Y H > S+ 0 0 19 30,-0.3 4,-1.9 28,-0.2 -1,-0.2 0.934 112.9 50.8 -53.1 -47.9 41.0 51.3 27.0 78 8 B Q H > S+ 0 0 97 27,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.900 108.8 52.2 -57.4 -42.7 42.6 48.8 24.7 79 9 B F H >X S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 4,-0.6 0.901 104.9 54.9 -57.3 -44.8 39.2 47.9 23.3 80 10 B V H >X S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 4,-1.4 0.883 97.7 64.5 -60.1 -38.4 38.5 51.6 22.6 81 11 B X H 3< S+ 0 0 48 -4,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.848 100.3 52.8 -48.1 -37.5 41.7 51.7 20.6 82 12 B T H << S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.667 105.6 54.3 -76.4 -17.0 40.1 49.3 18.2 83 13 B V H X< S+ 0 0 1 -3,-1.6 3,-2.2 -4,-0.6 -1,-0.2 0.729 80.5 111.2 -86.7 -24.4 37.0 51.5 17.9 84 14 B R T 3< S+ 0 0 91 -4,-1.4 3,-0.1 1,-0.3 8,-0.1 -0.167 75.5 31.6 -51.7 141.7 39.0 54.6 16.8 85 15 B G T 3 S+ 0 0 52 6,-0.4 -1,-0.3 1,-0.3 6,-0.1 0.029 81.3 136.5 97.5 -27.2 38.4 55.5 13.2 86 16 B R < - 0 0 41 -3,-2.2 2,-2.0 1,-0.1 -1,-0.3 -0.327 59.4-127.6 -59.1 130.1 34.8 54.2 13.2 87 17 B H S S+ 0 0 32 4,-0.1 2,-0.3 -3,-0.1 -21,-0.2 -0.341 77.5 66.1 -85.4 60.0 32.6 56.8 11.4 88 18 B D S > S- 0 0 16 -2,-2.0 4,-2.0 -22,-0.1 3,-0.3 -0.914 102.8 -71.7-156.7-170.7 29.9 57.2 14.0 89 19 B D H > S+ 0 0 74 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.797 127.5 53.5 -62.6 -30.0 29.3 58.4 17.5 90 20 B K H > S+ 0 0 8 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.913 107.1 50.5 -69.1 -43.6 31.2 55.6 19.0 91 21 B G H > S+ 0 0 5 -3,-0.3 4,-1.8 1,-0.2 -6,-0.4 0.876 112.0 50.7 -60.0 -35.5 34.2 56.3 16.9 92 22 B R H X S+ 0 0 94 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.905 110.8 45.4 -69.4 -43.5 33.9 59.9 18.1 93 23 B L H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.944 111.3 55.2 -65.0 -43.7 33.7 59.0 21.8 94 24 B A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.886 107.7 48.8 -55.1 -42.0 36.7 56.7 21.2 95 25 B E H X S+ 0 0 62 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.870 109.3 52.2 -67.7 -35.6 38.7 59.5 19.8 96 26 B E H X S+ 0 0 50 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.902 109.9 49.1 -66.5 -39.9 37.8 61.8 22.7 97 27 B I H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 6,-0.3 0.942 111.1 50.0 -64.0 -47.0 38.9 59.1 25.1 98 28 B F H 3< S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 110.7 50.1 -52.1 -46.5 42.2 58.8 23.1 99 29 B D H 3< S+ 0 0 103 -4,-2.5 2,-1.2 -5,-0.1 -1,-0.2 0.685 87.9 92.9 -70.9 -19.3 42.6 62.5 23.3 100 30 B D X< - 0 0 19 -4,-1.1 3,-2.2 -3,-0.7 -1,-0.1 -0.645 59.1-167.8 -83.7 98.3 42.1 62.6 27.1 101 31 B L T 3 S+ 0 0 148 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.0 0.749 85.4 49.5 -59.6 -26.0 45.6 62.4 28.4 102 32 B A T 3 S+ 0 0 74 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.279 77.4 134.9-102.0 9.2 44.4 61.7 31.9 103 33 B F < - 0 0 4 -3,-2.2 2,-1.3 -6,-0.3 10,-0.0 -0.347 68.7-111.7 -55.1 133.7 41.9 59.0 31.0 104 34 B P > - 0 0 29 0, 0.0 3,-1.1 0, 0.0 -27,-0.1 -0.588 39.3-177.7 -71.0 95.9 42.1 56.1 33.4 105 35 B K T 3 S+ 0 0 86 -2,-1.3 -27,-0.3 1,-0.2 -28,-0.2 0.388 73.5 54.0 -81.6 3.0 43.6 53.6 30.9 106 36 B H T 3 S+ 0 0 168 -29,-0.1 2,-0.4 -30,-0.1 -1,-0.2 0.375 82.1 103.1-121.0 -0.2 43.6 50.8 33.4 107 37 B D < + 0 0 64 -3,-1.1 -30,-0.3 1,-0.1 -31,-0.1 -0.730 32.3 170.5 -97.3 135.1 40.0 50.7 34.6 108 38 B D + 0 0 56 -2,-0.4 2,-0.2 -32,-0.1 -1,-0.1 0.556 45.0 110.2-110.0 -16.6 37.5 48.1 33.5 109 39 B D > - 0 0 77 1,-0.1 4,-2.3 2,-0.0 5,-0.3 -0.431 63.2-139.6 -81.6 135.2 34.7 48.8 35.9 110 40 B F H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.887 99.9 45.8 -60.6 -46.7 31.5 50.4 34.5 111 41 B N H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.813 112.0 52.1 -67.3 -32.8 30.8 52.8 37.4 112 42 B I H > S+ 0 0 76 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.953 116.7 37.9 -68.5 -49.8 34.4 54.0 37.6 113 43 B L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.897 116.6 54.0 -67.3 -39.7 34.6 54.8 33.9 114 44 B S H X S+ 0 0 9 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.881 108.1 49.1 -61.6 -40.9 31.0 56.1 34.0 115 45 B D H X S+ 0 0 85 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.902 111.3 50.1 -65.8 -42.7 31.9 58.5 36.8 116 46 B Y H < S+ 0 0 32 -4,-1.9 4,-0.5 2,-0.2 3,-0.4 0.957 113.2 44.0 -60.1 -52.9 34.9 59.8 35.0 117 47 B I H >< S+ 0 0 7 -4,-2.7 3,-1.0 1,-0.2 6,-0.2 0.899 111.6 54.7 -61.2 -41.6 33.0 60.5 31.7 118 48 B E H 3< S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 113.4 40.9 -59.2 -35.9 30.1 62.1 33.6 119 49 B T T 3< S+ 0 0 103 -4,-1.5 2,-0.5 -3,-0.4 -1,-0.2 0.333 97.8 87.9-101.2 5.7 32.3 64.6 35.4 120 50 B H X - 0 0 65 -3,-1.0 3,-1.5 -4,-0.5 -4,-0.0 -0.933 63.5-148.4-121.0 129.2 34.7 65.5 32.6 121 51 B G T 3 S+ 0 0 68 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.602 88.2 71.3 -79.7 -15.3 33.9 68.3 30.2 122 52 B D T 3 S+ 0 0 72 1,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.663 90.8 71.8 -72.6 -13.5 35.6 67.0 27.1 123 53 B F < + 0 0 19 -3,-1.5 -1,-0.1 -6,-0.2 -3,-0.1 -0.906 49.1 146.3-104.6 113.4 32.9 64.4 26.9 124 54 B T + 0 0 115 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.344 32.6 114.1-131.4 1.2 29.5 65.9 25.8 125 55 B L S S- 0 0 45 1,-0.1 5,-0.1 -36,-0.1 -2,-0.0 -0.398 85.0 -82.6 -60.3 150.4 28.0 63.2 23.8 126 56 B P >> - 0 0 78 0, 0.0 3,-2.6 0, 0.0 4,-0.6 -0.334 38.5-118.4 -55.5 137.9 24.8 61.7 25.3 127 57 B X H 3> S+ 0 0 61 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.748 108.7 77.9 -52.0 -25.2 25.7 59.1 28.0 128 58 B S H 3> S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.768 88.0 58.3 -60.2 -25.3 23.9 56.5 25.8 129 59 B V H <> S+ 0 0 13 -3,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.952 107.4 43.8 -67.3 -51.0 27.0 56.5 23.6 130 60 B F H X S+ 0 0 2 -4,-0.6 4,-3.0 2,-0.2 5,-0.2 0.905 112.4 55.8 -58.0 -42.2 29.3 55.4 26.4 131 61 B D H X S+ 0 0 74 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.952 110.7 42.2 -53.5 -53.5 26.6 52.9 27.4 132 62 B D H X S+ 0 0 47 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.830 113.5 54.6 -66.7 -30.3 26.5 51.3 24.0 133 63 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.907 109.7 45.7 -68.1 -43.3 30.3 51.5 23.9 134 64 B Y H X S+ 0 0 41 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.890 110.9 53.2 -65.7 -41.7 30.7 49.6 27.2 135 65 B E H X S+ 0 0 110 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.922 109.1 49.2 -57.3 -44.4 28.1 47.0 26.1 136 66 B E H X S+ 0 0 7 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.910 108.5 55.4 -61.7 -42.7 30.1 46.5 22.9 137 67 B Y H X S+ 0 0 4 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.931 105.5 50.3 -54.1 -50.1 33.2 46.1 25.1 138 68 B T H X S+ 0 0 44 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.903 113.2 45.7 -59.3 -42.2 31.6 43.4 27.2 139 69 B E H X S+ 0 0 37 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.958 112.2 51.2 -63.7 -52.0 30.6 41.4 24.1 140 70 B W H X S+ 0 0 50 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.913 110.0 51.9 -40.5 -51.9 34.1 42.0 22.6 141 71 B L H X S+ 0 0 42 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.909 108.9 48.1 -58.7 -47.3 35.5 40.7 25.9 142 72 B K H X S+ 0 0 120 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.933 111.3 49.6 -63.0 -48.1 33.4 37.5 25.8 143 73 B F H X S+ 0 0 86 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.893 111.9 51.0 -54.4 -41.1 34.4 36.8 22.2 144 74 B L H < S+ 0 0 79 -4,-2.3 3,-0.3 -5,-0.3 -2,-0.2 0.929 112.0 45.4 -62.3 -49.5 38.0 37.3 23.3 145 75 B E H < S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 123.4 36.2 -51.8 -38.4 37.7 34.9 26.2 146 76 B H H < 0 0 166 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.427 360.0 360.0-117.2 -8.1 35.9 32.4 24.2 147 77 B H < 0 0 182 -4,-1.7 -1,-0.1 -3,-0.3 -4,-0.0 -0.907 360.0 360.0-114.2 360.0 37.4 32.4 20.7