==== 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 DNA BINDING PROTEIN 13-FEB-04 1SD4 . COMPND 2 MOLECULE: PENICILLINASE REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.K.SAFO,Q.ZHAO,F.N.MUSAYEV,H.ROBINSON,N.SCARSDALE,G.L.ARCHE . 244 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 74.6 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 . 20 8.2 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 0.8 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 0 0 0 0 2 2 0 1 3 2 0 0 2 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 2 0 0 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 ANTIPARALLEL 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 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 5 A Q 0 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.8 48.0 20.5 43.2 2 6 A V + 0 0 49 1,-0.1 2,-0.3 0, 0.0 49,-0.0 0.806 360.0 179.9 73.4 110.4 49.5 21.6 39.9 3 7 A E - 0 0 142 74,-0.0 2,-0.5 75,-0.0 -1,-0.1 -0.982 16.7-149.5-135.4 144.1 48.1 20.1 36.7 4 8 A I - 0 0 8 -2,-0.3 5,-0.0 70,-0.2 44,-0.0 -0.976 17.0-138.5-119.8 124.4 49.2 20.7 33.1 5 9 A S > - 0 0 42 -2,-0.5 4,-1.9 1,-0.1 123,-0.0 -0.234 26.7-108.8 -73.8 163.2 46.6 20.5 30.4 6 10 A X H > S+ 0 0 44 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.883 122.2 51.8 -59.8 -36.0 47.4 18.8 27.0 7 11 A A H >> S+ 0 0 32 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.884 109.3 49.8 -67.7 -39.8 47.3 22.2 25.4 8 12 A E H >> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.837 98.0 69.9 -66.8 -28.4 49.8 23.6 28.0 9 13 A W H 3X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.792 89.7 61.0 -60.8 -32.6 52.0 20.6 27.3 10 14 A D H < S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.2 52,-0.3 0.955 109.0 52.3 -66.6 -48.5 60.4 25.2 27.4 16 20 A W H 3< S+ 0 0 43 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.734 106.2 57.8 -60.4 -25.0 61.9 22.0 28.8 17 21 A D H 3< S+ 0 0 101 -4,-0.8 2,-0.3 -5,-0.3 -1,-0.3 0.683 108.2 50.7 -73.5 -21.8 64.0 21.8 25.5 18 22 A K S << S- 0 0 85 -3,-1.8 49,-0.3 -4,-0.7 3,-0.2 -0.826 75.2-129.4-123.7 156.1 65.6 25.2 26.1 19 23 A K S S- 0 0 189 1,-0.4 2,-0.3 -2,-0.3 48,-0.2 0.941 97.9 -19.3 -64.4 -46.2 67.5 27.0 28.9 20 24 A S S S- 0 0 22 46,-0.1 -1,-0.4 -3,-0.1 2,-0.3 -0.954 71.4-171.7-158.9 150.5 65.2 30.0 28.5 21 25 A V E -A 65 0A 1 44,-1.7 44,-3.0 -2,-0.3 2,-0.1 -0.997 21.8-117.4-150.5 141.7 63.0 30.9 25.5 22 26 A S E > -A 64 0A 21 -2,-0.3 4,-2.2 42,-0.2 42,-0.2 -0.388 29.6-114.4 -77.6 158.3 60.9 34.0 24.5 23 27 A A H > S+ 0 0 16 40,-0.6 4,-2.4 1,-0.2 5,-0.1 0.836 117.3 56.2 -57.4 -36.1 57.1 33.8 24.0 24 28 A N H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 107.1 47.3 -65.3 -42.2 57.6 34.5 20.3 25 29 A E H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.885 111.1 51.7 -64.2 -40.4 59.9 31.6 19.9 26 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.952 110.8 48.8 -57.3 -51.4 57.4 29.3 21.8 27 31 A V H X S+ 0 0 6 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.902 110.9 50.4 -54.7 -48.0 54.7 30.6 19.4 28 32 A V H X S+ 0 0 81 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.963 111.8 47.5 -55.3 -56.3 56.9 29.9 16.3 29 33 A E H >< S+ 0 0 39 -4,-2.6 3,-1.3 1,-0.3 4,-0.4 0.894 106.6 53.3 -54.3 -52.4 57.7 26.3 17.4 30 34 A I H >X S+ 0 0 10 -4,-2.4 3,-0.8 1,-0.3 4,-0.7 0.865 112.3 49.7 -52.8 -33.4 54.2 25.1 18.3 31 35 A Q H 3< S+ 0 0 79 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.672 98.1 66.4 -81.4 -17.9 53.3 26.3 14.8 32 36 A K T << S+ 0 0 144 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.482 120.8 19.1 -78.4 -4.6 56.2 24.5 13.1 33 37 A Y T <4 S+ 0 0 215 -3,-0.8 2,-0.3 -4,-0.4 -2,-0.2 0.340 129.5 15.1-149.4 1.1 54.6 21.2 14.0 34 38 A K S < S- 0 0 110 -4,-0.7 -1,-0.2 1,-0.3 0, 0.0 -0.954 73.7 -91.7-166.2 179.0 51.0 21.9 14.8 35 39 A E + 0 0 135 -2,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.736 59.2 122.9 -68.7-123.5 48.0 24.3 14.6 36 40 A V - 0 0 32 -5,-0.0 -2,-0.1 4,-0.0 2,-0.0 0.900 52.5-124.7 60.9 112.6 47.4 26.7 17.5 37 41 A S > - 0 0 48 1,-0.1 4,-2.1 -7,-0.0 5,-0.2 -0.235 24.6-104.3 -79.3 167.5 47.3 30.5 17.0 38 42 A D H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 117.6 54.3 -56.3 -47.2 49.3 33.3 18.7 39 43 A K H > S+ 0 0 172 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 110.1 43.9 -58.5 -49.8 46.5 34.3 21.0 40 44 A T H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 112.9 52.4 -67.2 -38.5 45.9 30.8 22.5 41 45 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.932 109.8 48.8 -59.3 -45.6 49.6 30.2 22.9 42 46 A R H X S+ 0 0 98 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.874 109.8 52.2 -64.0 -37.7 50.0 33.5 24.8 43 47 A T H X S+ 0 0 86 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.856 109.5 49.7 -65.1 -39.4 47.1 32.6 27.0 44 48 A L H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.907 110.9 49.4 -62.9 -44.7 48.7 29.2 27.7 45 49 A I H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.934 111.4 48.4 -61.7 -49.8 52.0 30.9 28.6 46 50 A T H X S+ 0 0 68 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.899 111.4 49.8 -57.0 -45.1 50.3 33.4 30.9 47 51 A R H X S+ 0 0 116 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.954 113.1 46.4 -60.1 -49.0 48.3 30.7 32.7 48 52 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-1.1 0.883 114.2 48.4 -60.9 -41.1 51.5 28.6 33.2 49 53 A Y H ><5S+ 0 0 66 -4,-2.7 3,-1.6 3,-0.2 -1,-0.2 0.915 109.8 51.6 -64.1 -46.0 53.4 31.7 34.4 50 54 A K H 3<5S+ 0 0 135 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.858 109.9 49.8 -60.9 -34.7 50.6 32.7 36.8 51 55 A K T 3<5S- 0 0 88 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.469 112.8-123.4 -81.7 -1.2 50.6 29.2 38.3 52 56 A E T < 5S+ 0 0 143 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.750 75.7 127.6 63.7 25.1 54.5 29.4 38.7 53 57 A I S S-B 62 0A 45 3,-3.0 3,-2.7 -2,-0.5 -2,-0.0 -0.998 73.9 -13.1-128.1 130.3 66.6 40.9 29.4 60 64 A E T 3 S- 0 0 183 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.893 131.6 -54.0 41.7 46.0 66.9 44.0 27.2 61 65 A N T 3 S+ 0 0 131 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.520 116.5 114.7 71.6 8.2 63.1 44.4 27.7 62 66 A I E < - B 0 59A 84 -3,-2.7 -3,-3.0 -40,-0.0 2,-0.4 -0.925 62.0-131.3-106.5 137.3 62.3 40.8 26.6 63 67 A Y E - B 0 58A 87 -2,-0.4 -40,-0.6 -5,-0.2 2,-0.5 -0.689 19.2-166.9 -82.3 130.8 60.8 38.1 28.8 64 68 A F E -AB 22 57A 50 -7,-2.6 -7,-2.0 -2,-0.4 2,-0.3 -0.987 10.9-147.5-121.4 126.0 62.5 34.7 28.6 65 69 A Y E -AB 21 56A 13 -44,-3.0 -44,-1.7 -2,-0.5 2,-0.3 -0.660 16.0-179.8 -98.3 147.3 60.8 31.7 30.1 66 70 A S E - B 0 55A 13 -11,-2.7 -11,-2.7 -2,-0.3 -46,-0.1 -0.924 37.3 -89.4-139.5 157.9 62.2 28.7 31.9 67 71 A S E - B 0 54A 32 -49,-0.3 -13,-0.2 -2,-0.3 -14,-0.1 -0.388 29.6-177.2 -64.5 144.1 60.7 25.6 33.5 68 72 A N + 0 0 87 -15,-2.6 2,-0.3 -2,-0.1 -14,-0.2 -0.004 64.9 66.7-128.0 27.1 59.9 25.8 37.2 69 73 A I S S- 0 0 38 -16,-0.1 2,-0.7 4,-0.0 3,-0.1 -0.995 89.0-105.5-145.1 144.7 58.8 22.2 37.5 70 74 A K > - 0 0 159 -2,-0.3 4,-1.8 1,-0.2 3,-0.5 -0.656 27.2-151.2 -75.5 115.2 60.5 18.8 37.3 71 75 A E H > S+ 0 0 61 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.872 91.6 54.0 -51.4 -47.1 59.4 17.3 33.9 72 76 A D H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 109.5 47.9 -60.3 -39.0 59.8 13.7 35.1 73 77 A D H > S+ 0 0 91 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.900 113.2 43.2 -70.2 -45.0 57.5 14.2 38.1 74 78 A I H X S+ 0 0 6 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.830 112.9 55.8 -75.8 -29.2 54.6 16.0 36.5 75 79 A K H X S+ 0 0 24 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.955 109.2 44.8 -62.1 -49.8 54.8 13.6 33.6 76 80 A X H X S+ 0 0 18 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.927 114.4 49.4 -60.9 -47.6 54.4 10.6 35.8 77 81 A K H X S+ 0 0 100 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.927 115.0 44.3 -57.8 -44.9 51.6 12.2 37.8 78 82 A T H X S+ 0 0 26 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.893 114.3 48.1 -68.3 -43.3 49.8 13.2 34.6 79 83 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.868 109.3 54.3 -64.5 -38.2 50.3 9.8 33.0 80 84 A K H X S+ 0 0 83 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.923 109.0 47.0 -64.9 -42.1 49.1 8.0 36.1 81 85 A T H X S+ 0 0 47 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.885 112.6 51.8 -63.7 -40.3 45.9 10.0 36.1 82 86 A F H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.951 110.8 45.5 -59.4 -54.0 45.5 9.2 32.4 83 87 A L H X S+ 0 0 9 -4,-2.8 6,-2.6 1,-0.2 4,-2.2 0.917 112.9 52.0 -59.5 -43.7 45.9 5.5 32.8 84 88 A N H X S+ 0 0 92 -4,-2.5 4,-0.5 4,-0.3 -1,-0.2 0.900 115.7 39.0 -58.9 -45.4 43.6 5.4 35.8 85 89 A K H < S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.875 128.0 27.8 -77.6 -41.7 40.8 7.2 34.0 86 90 A L H < S+ 0 0 7 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.716 132.5 28.5 -94.3 -25.6 40.9 5.7 30.5 87 91 A Y H >< S- 0 0 9 -4,-2.2 3,-2.8 -5,-0.4 6,-0.3 0.017 103.3-106.7-130.8 26.9 42.4 2.2 31.1 88 92 A G T 3< S- 0 0 63 -4,-0.5 -4,-0.3 1,-0.3 -3,-0.1 0.726 75.8 -67.9 56.5 19.9 41.3 1.2 34.6 89 93 A G T 3 S+ 0 0 20 -6,-2.6 2,-0.6 1,-0.2 -1,-0.3 0.671 103.2 134.1 74.7 18.8 45.0 1.9 35.6 90 94 A D <> - 0 0 68 -3,-2.8 4,-1.5 -7,-0.5 3,-0.5 -0.898 45.5-162.3-108.5 115.4 46.1 -1.1 33.6 91 95 A X H > S+ 0 0 5 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.908 93.7 57.1 -55.5 -44.9 49.1 -0.8 31.2 92 96 A K H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.826 102.1 55.9 -57.2 -32.9 48.1 -3.9 29.3 93 97 A S H > S+ 0 0 50 -3,-0.5 4,-2.2 -6,-0.3 -1,-0.2 0.921 110.9 43.4 -68.2 -42.9 44.7 -2.4 28.5 94 98 A L H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.942 114.9 48.6 -65.6 -48.0 46.4 0.7 26.9 95 99 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 114.0 47.6 -61.8 -39.5 49.0 -1.4 25.1 96 100 A L H X S+ 0 0 57 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.890 105.3 56.6 -68.6 -41.0 46.2 -3.7 23.8 97 101 A N H X S+ 0 0 32 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.888 110.7 48.5 -55.2 -36.5 44.0 -0.9 22.7 98 102 A F H <>S+ 0 0 4 -4,-1.9 5,-3.0 2,-0.2 6,-0.5 0.934 110.7 46.6 -70.4 -51.4 46.9 0.2 20.6 99 103 A A H ><5S+ 0 0 17 -4,-2.4 3,-2.2 1,-0.2 5,-0.3 0.943 111.8 52.0 -53.1 -50.0 47.7 -3.2 19.0 100 104 A K H 3<5S+ 0 0 175 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.2 50.1 -62.3 -32.8 44.1 -3.9 18.2 101 105 A N T 3<5S- 0 0 69 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.182 117.1-114.0 -87.3 16.0 43.8 -0.5 16.5 102 106 A E T < 5S+ 0 0 177 -3,-2.2 -3,-0.2 2,-0.1 -2,-0.1 0.802 78.2 131.8 52.7 34.1 47.0 -1.2 14.4 103 107 A E < + 0 0 62 -5,-3.0 2,-0.4 1,-0.2 -4,-0.2 0.440 65.9 53.3 -91.9 -0.5 48.9 1.6 16.2 104 108 A L S S- 0 0 15 -6,-0.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.945 81.4-149.8-132.6 110.4 51.8 -0.7 16.9 105 109 A N > - 0 0 74 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.140 35.8 -90.9 -69.5 174.8 53.3 -2.4 13.8 106 110 A N H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.919 125.8 45.7 -52.1 -52.9 54.9 -5.9 14.0 107 111 A K H > S+ 0 0 143 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.902 111.3 52.7 -63.2 -39.6 58.5 -4.6 14.6 108 112 A E H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 108.9 51.1 -61.3 -38.6 57.3 -2.1 17.3 109 113 A I H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.881 113.9 43.9 -64.9 -38.5 55.5 -5.0 19.1 110 114 A E H X S+ 0 0 52 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.912 111.9 51.5 -72.9 -45.5 58.7 -7.0 19.0 111 115 A E H X S+ 0 0 75 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.905 114.0 45.7 -55.9 -43.1 61.0 -4.1 20.0 112 116 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.915 111.2 51.4 -69.1 -40.9 58.6 -3.5 23.0 113 117 A R H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.948 110.6 49.7 -58.9 -48.7 58.5 -7.2 23.8 114 118 A D H X S+ 0 0 75 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.901 109.4 51.4 -54.9 -44.8 62.3 -7.3 23.8 115 119 A I H X S+ 0 0 34 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.924 110.8 48.0 -59.8 -45.2 62.4 -4.2 26.1 116 120 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.894 109.9 52.0 -67.1 -37.8 60.1 -5.9 28.5 117 121 A N H >< S+ 0 0 86 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.945 106.2 56.2 -58.1 -45.8 62.1 -9.1 28.5 118 122 A D H 3< S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.813 113.4 38.1 -58.2 -36.1 65.2 -7.0 29.2 119 123 A I H 3< S+ 0 0 56 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.446 96.6 105.1 -97.8 0.7 63.7 -5.5 32.4 120 124 A S << - 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0 0 77 -4,-1.6 -1,-0.1 2,-0.1 0, 0.0 -0.983 65.9-138.6-134.3 148.4 35.8 14.8 43.7 158 39 B E + 0 0 208 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.045 59.7 126.7 -96.5 29.9 35.7 18.1 45.7 159 40 B V - 0 0 36 -6,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.558 60.5-111.1 -86.4 153.6 34.6 20.3 42.7 160 41 B S > - 0 0 52 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.307 22.3-113.1 -79.9 162.6 31.6 22.5 42.9 161 42 B D H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.824 119.1 58.9 -62.7 -29.8 28.4 22.1 41.0 162 43 B K H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 104.7 48.4 -65.8 -44.5 29.3 25.3 39.1 163 44 B T H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.911 112.2 49.4 -61.2 -42.8 32.6 23.8 37.9 164 45 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.942 107.9 52.5 -66.5 -44.1 30.8 20.7 36.8 165 46 B R H X S+ 0 0 116 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.909 107.6 54.2 -56.5 -39.6 28.1 22.7 34.9 166 47 B T H X S+ 0 0 52 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.908 108.7 47.7 -58.5 -44.4 31.0 24.5 33.1 167 48 B L H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.917 112.5 49.0 -62.1 -44.1 32.5 21.2 32.0 168 49 B I H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.935 112.1 48.4 -63.0 -45.0 29.0 20.1 30.8 169 50 B T H X S+ 0 0 71 -4,-3.1 4,-2.7 -5,-0.2 -2,-0.2 0.907 111.7 50.1 -60.8 -42.8 28.5 23.4 28.9 170 51 B R H X S+ 0 0 132 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.938 112.1 46.4 -60.5 -48.8 32.0 23.1 27.3 171 52 B L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 6,-1.0 0.898 113.0 51.4 -59.1 -40.0 31.4 19.4 26.2 172 53 B Y H ><5S+ 0 0 82 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.933 110.0 47.7 -64.3 -48.2 28.0 20.6 24.9 173 54 B K H 3<5S+ 0 0 164 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.902 109.7 52.2 -56.6 -47.2 29.5 23.5 22.9 174 55 B K T 3<5S- 0 0 80 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.472 113.7-126.2 -70.2 -0.3 32.2 21.1 21.4 175 56 B E T < 5S+ 0 0 136 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.754 73.8 128.8 56.0 31.6 29.2 19.0 20.5 176 57 B I S S-D 185 0B 40 3,-2.7 3,-2.3 -2,-0.4 -2,-0.0 -0.990 71.1 -8.1-144.1 137.5 12.1 18.6 30.3 183 64 B E T 3 S- 0 0 177 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.883 128.3 -55.3 43.3 50.2 10.6 20.4 33.3 184 65 B N T 3 S+ 0 0 143 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.652 118.5 103.5 56.9 21.9 13.3 23.2 33.0 185 66 B I E < - 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0 0 56 -3,-2.0 4,-1.6 -7,-0.5 3,-0.8 -0.866 44.5-167.5-112.5 105.9 57.0 6.0 21.6 214 95 B X H 3> S+ 0 0 8 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.838 91.6 61.5 -57.0 -32.0 55.2 3.3 23.6 215 96 B K H 3> S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.844 102.3 51.8 -67.5 -28.1 58.5 2.0 24.8 216 97 B S H <> S+ 0 0 35 -3,-0.8 4,-2.6 -6,-0.3 5,-0.2 0.917 108.5 49.8 -75.5 -40.4 59.2 5.3 26.5 217 98 B L H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.957 113.5 46.5 -58.5 -52.2 55.8 5.3 28.3 218 99 B V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.911 114.3 46.0 -58.0 -45.3 56.5 1.7 29.5 219 100 B L H X S+ 0 0 65 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.882 109.9 54.5 -68.4 -36.0 60.1 2.5 30.6 220 101 B N H X S+ 0 0 18 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.888 111.6 45.5 -63.9 -36.4 59.1 5.7 32.4 221 102 B F H <>S+ 0 0 5 -4,-1.9 5,-3.4 -5,-0.2 6,-0.6 0.905 113.1 49.3 -71.3 -43.5 56.5 3.7 34.4 222 103 B A H ><5S+ 0 0 23 -4,-2.3 3,-1.6 1,-0.2 5,-0.3 0.928 109.6 50.5 -62.1 -46.3 58.9 0.9 35.2 223 104 B K H 3<5S+ 0 0 118 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.6 49.4 -61.7 -30.1 61.6 3.3 36.4 224 105 B N T 3<5S- 0 0 51 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.251 115.9-116.7 -92.6 12.5 59.1 5.1 38.7 225 106 B E T < 5S+ 0 0 174 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.828 80.5 125.9 52.5 39.5 57.9 1.7 40.1 226 107 B E < + 0 0 68 -5,-3.4 2,-0.3 1,-0.2 -4,-0.2 0.307 69.3 50.7-105.2 8.0 54.5 2.2 38.6 227 108 B L S S- 0 0 9 -6,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 -0.914 83.4-149.3-145.2 108.9 54.7 -1.1 36.8 228 109 B N > - 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