==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 03-OCT-07 2RGI . COMPND 2 MOLECULE: PROTEIN S100-A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KOCH,J.DIEZ,G.FRITZ . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 69.2 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 3.2 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 . 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 53.5 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 0 0 0 0 0 0 2 1 1 0 2 1 1 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 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 1 A M 0 0 227 0, 0.0 2,-0.3 0, 0.0 136,-0.1 0.000 360.0 360.0 360.0 163.7 0.5 -9.3 30.0 2 2 A S - 0 0 69 1,-0.1 2,-0.1 134,-0.1 133,-0.1 -0.484 360.0-133.2 -71.9 130.7 -0.1 -10.5 26.4 3 3 A S > - 0 0 25 -2,-0.3 4,-2.4 131,-0.1 5,-0.2 -0.357 27.6-106.2 -73.7 158.9 -1.3 -14.0 25.8 4 4 A S H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.889 121.8 46.8 -54.7 -41.3 0.3 -16.2 23.2 5 5 A L H > S+ 0 0 0 129,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.904 110.0 53.3 -72.6 -35.1 -2.6 -15.8 20.8 6 6 A E H > S+ 0 0 7 128,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.913 110.0 48.8 -61.1 -42.5 -2.7 -12.1 21.4 7 7 A Q H X S+ 0 0 101 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.854 110.2 51.6 -63.8 -36.7 0.9 -11.9 20.5 8 8 A A H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.915 110.3 47.1 -68.4 -44.5 0.3 -14.0 17.3 9 9 A L H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.879 107.3 58.1 -63.5 -34.4 -2.5 -11.8 16.2 10 10 A A H X S+ 0 0 45 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.895 106.9 48.8 -59.9 -40.4 -0.3 -8.7 16.9 11 11 A V H X S+ 0 0 23 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.864 105.3 56.3 -71.5 -38.4 2.3 -10.1 14.5 12 12 A L H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.927 110.7 47.3 -55.2 -38.5 -0.4 -10.7 11.8 13 13 A V H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 112.7 45.4 -71.4 -48.2 -1.2 -7.0 12.1 14 14 A T H X S+ 0 0 91 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.872 112.3 51.7 -65.1 -34.1 2.4 -5.7 12.0 15 15 A T H X S+ 0 0 10 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.902 109.7 51.1 -66.4 -40.2 3.2 -8.0 9.0 16 16 A F H >X S+ 0 0 0 -4,-1.9 4,-3.3 -5,-0.3 3,-1.0 0.957 112.1 45.6 -57.0 -54.0 0.2 -6.8 7.2 17 17 A H H 3X S+ 0 0 68 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.842 99.3 68.8 -63.0 -33.4 1.2 -3.1 7.8 18 18 A K H 3< S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 118.4 25.1 -50.7 -37.3 4.8 -3.9 6.8 19 19 A Y H X< S+ 0 0 17 -4,-1.0 3,-1.5 -3,-1.0 4,-0.3 0.851 119.3 55.4 -94.9 -42.3 3.3 -4.3 3.3 20 20 A S H >< S+ 0 0 0 -4,-3.3 3,-0.7 1,-0.3 8,-0.3 0.791 100.3 63.5 -64.6 -24.0 0.2 -2.2 3.4 21 21 A S T 3< S+ 0 0 48 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 0.613 87.7 74.6 -75.3 -10.7 2.1 0.8 4.4 22 22 A Q T < S+ 0 0 126 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.763 103.4 13.6 -83.6 -25.6 4.1 0.8 1.2 23 23 A E S < S- 0 0 129 -3,-0.7 5,-0.2 -4,-0.3 -1,-0.2 -0.994 108.0 -31.7-148.3 144.7 1.4 2.1 -1.3 24 24 A G S S+ 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 5,-0.0 -0.176 112.2 20.4 61.3-137.2 -1.9 3.8 -1.1 25 25 A D > - 0 0 82 1,-0.1 3,-1.5 2,-0.1 -2,-0.2 -0.513 65.8-142.7 -71.1 128.8 -4.3 3.1 1.7 26 26 A K T 3 S+ 0 0 106 1,-0.3 -6,-0.1 -2,-0.3 -1,-0.1 0.542 100.3 60.6 -70.5 -8.2 -2.5 1.6 4.8 27 27 A F T 3 S+ 0 0 42 -7,-0.1 45,-0.5 -6,-0.1 2,-0.3 0.248 105.0 57.2-101.7 14.3 -5.4 -0.7 5.4 28 28 A K < - 0 0 71 -3,-1.5 2,-0.3 -8,-0.3 -5,-0.3 -0.980 54.6-175.0-138.4 150.0 -5.0 -2.3 2.0 29 29 A L E -A 70 0A 0 41,-2.1 41,-3.4 -2,-0.3 -9,-0.1 -0.977 30.7-112.7-137.5 156.4 -2.4 -4.2 0.1 30 30 A S E > -A 69 0A 16 -2,-0.3 4,-2.2 39,-0.3 39,-0.2 -0.384 27.1-113.7 -81.7 158.7 -2.6 -5.4 -3.5 31 31 A K H > S+ 0 0 26 37,-2.1 4,-1.9 34,-0.5 35,-0.2 0.860 121.3 56.1 -58.9 -32.6 -2.7 -9.1 -4.4 32 32 A G H > S+ 0 0 25 34,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.901 107.3 47.6 -64.5 -40.6 0.7 -8.5 -5.9 33 33 A E H > S+ 0 0 29 33,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.854 109.1 54.4 -66.1 -35.8 2.0 -7.2 -2.6 34 34 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.877 106.0 51.8 -67.6 -37.0 0.5 -10.1 -0.8 35 35 A K H X S+ 0 0 43 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.919 109.4 50.3 -62.0 -45.1 2.4 -12.5 -3.1 36 36 A E H X S+ 0 0 75 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.925 110.7 50.7 -54.7 -46.2 5.6 -10.6 -2.3 37 37 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.926 109.9 48.1 -60.1 -46.8 4.7 -11.0 1.4 38 38 A L H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.935 112.8 48.9 -66.0 -47.0 4.2 -14.7 1.1 39 39 A H H < S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.958 122.2 32.8 -46.6 -57.4 7.4 -15.2 -0.7 40 40 A K H < S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.808 122.2 41.9 -80.1 -33.4 9.4 -13.1 1.8 41 41 A E H < S+ 0 0 38 -4,-3.3 58,-0.6 -5,-0.2 57,-0.3 0.437 109.3 51.9 -99.3 -6.7 7.7 -13.8 5.2 42 42 A L S < S- 0 0 22 -4,-1.1 3,-0.1 -5,-0.3 55,-0.0 -0.899 84.6 -99.5-127.9 160.3 7.0 -17.5 5.0 43 43 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.140 63.3 -53.0 -71.0 176.5 9.1 -20.7 4.3 44 44 A S - 0 0 80 1,-0.1 -5,-0.0 2,-0.1 0, 0.0 -0.113 32.3-152.0 -56.9 137.6 9.2 -22.5 1.0 45 45 A F S S+ 0 0 31 -3,-0.1 2,-0.4 10,-0.0 11,-0.2 0.034 70.5 93.0 -93.6 28.1 6.0 -23.7 -0.7 46 46 A V + 0 0 97 9,-0.1 2,-0.2 10,-0.0 3,-0.1 -0.949 58.3 52.4-125.0 140.1 7.9 -26.6 -2.4 47 47 A G S > S- 0 0 27 -2,-0.4 3,-0.8 3,-0.1 5,-0.5 -0.604 86.3 -71.6 126.7 177.6 8.2 -30.2 -1.2 48 48 A E T 3 S+ 0 0 184 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.440 116.0 65.6 -91.4 -5.2 6.3 -33.2 0.1 49 49 A K T 3 S+ 0 0 137 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.344 105.0 51.9 -97.3 5.6 5.3 -31.9 3.5 50 50 A V S < S- 0 0 27 -3,-0.8 2,-2.0 41,-0.1 36,-0.2 -0.935 95.9-103.3-132.7 159.3 3.1 -29.2 1.9 51 51 A D > + 0 0 62 34,-3.1 4,-2.3 -2,-0.3 5,-0.2 -0.624 45.4 178.6 -76.9 78.6 0.4 -29.1 -0.8 52 52 A E H > S+ 0 0 81 -2,-2.0 4,-2.7 -5,-0.5 -1,-0.2 0.893 74.0 50.1 -54.7 -45.0 2.9 -27.9 -3.4 53 53 A E H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 110.9 47.4 -61.6 -48.1 0.3 -27.8 -6.2 54 54 A G H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 114.3 47.6 -61.8 -40.2 -2.3 -25.9 -4.2 55 55 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.914 110.3 51.9 -69.0 -45.3 0.3 -23.4 -3.1 56 56 A K H X S+ 0 0 126 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.920 113.9 44.2 -50.9 -49.2 1.6 -22.9 -6.6 57 57 A K H X S+ 0 0 112 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.864 110.8 53.3 -71.3 -35.8 -1.8 -22.3 -7.9 58 58 A L H X S+ 0 0 15 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.959 111.7 46.5 -64.4 -47.2 -2.8 -20.0 -5.1 59 59 A M H X S+ 0 0 12 -4,-2.8 4,-1.5 1,-0.2 3,-0.4 0.901 110.6 52.6 -61.1 -41.9 0.3 -17.9 -5.8 60 60 A G H X S+ 0 0 32 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.850 104.8 55.6 -59.6 -36.3 -0.4 -17.9 -9.5 61 61 A S H X S+ 0 0 45 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.799 101.3 57.9 -67.8 -29.7 -4.0 -16.6 -8.8 62 62 A L H < S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.908 107.0 49.8 -65.8 -41.4 -2.4 -13.7 -6.9 63 63 A D H >< S+ 0 0 93 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.921 105.4 55.6 -51.4 -52.6 -0.6 -12.9 -10.2 64 64 A E H 3< S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.828 121.7 29.3 -57.9 -29.6 -3.8 -13.1 -12.2 65 65 A N T >< S+ 0 0 45 -4,-1.2 3,-1.8 -3,-0.2 -34,-0.5 -0.152 77.0 142.6-124.3 41.4 -5.3 -10.5 -9.9 66 66 A S T < S+ 0 0 57 -3,-1.6 -34,-2.5 1,-0.3 -33,-0.4 0.722 71.2 50.0 -63.5 -30.5 -2.2 -8.5 -8.8 67 67 A D T 3 S+ 0 0 128 -36,-0.2 -1,-0.3 -37,-0.2 2,-0.2 0.577 84.1 108.6 -83.4 -12.3 -3.8 -5.0 -8.8 68 68 A Q S < S- 0 0 89 -3,-1.8 -37,-2.1 -6,-0.2 2,-0.3 -0.481 70.0-126.1 -68.7 135.7 -6.8 -6.1 -6.7 69 69 A Q E -A 30 0A 95 -39,-0.2 2,-0.4 -2,-0.2 -39,-0.3 -0.596 20.5-159.0 -87.3 143.2 -6.7 -4.7 -3.2 70 70 A V E -A 29 0A 0 -41,-3.4 -41,-2.1 -2,-0.3 2,-0.1 -0.954 4.0-149.5-121.0 134.4 -7.0 -6.9 -0.1 71 71 A D > - 0 0 49 -2,-0.4 4,-2.6 -43,-0.2 5,-0.2 -0.393 39.1 -90.9 -89.6-179.6 -8.0 -5.8 3.4 72 72 A F H > S+ 0 0 3 -45,-0.5 4,-2.7 1,-0.2 5,-0.2 0.905 125.5 53.0 -59.5 -43.5 -6.8 -7.4 6.6 73 73 A Q H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 112.6 44.7 -61.5 -44.4 -9.7 -9.9 6.8 74 74 A E H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.848 110.0 54.7 -65.6 -42.1 -8.9 -11.1 3.3 75 75 A Y H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.926 108.2 49.9 -54.2 -44.5 -5.2 -11.2 4.0 76 76 A A H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.868 106.9 55.5 -64.6 -36.1 -6.1 -13.5 7.0 77 77 A V H X S+ 0 0 58 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.942 110.2 45.4 -57.4 -47.8 -8.2 -15.7 4.6 78 78 A F H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 113.0 49.7 -67.1 -45.2 -5.2 -16.1 2.4 79 79 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.885 111.4 49.4 -56.3 -41.1 -2.9 -16.8 5.3 80 80 A A H X S+ 0 0 3 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.892 110.5 50.2 -65.6 -40.9 -5.4 -19.4 6.7 81 81 A L H X S+ 0 0 59 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 112.5 46.4 -63.7 -44.2 -5.6 -21.1 3.3 82 82 A I H X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 5,-0.2 0.879 110.4 54.5 -66.1 -39.1 -1.8 -21.3 3.0 83 83 A T H >X S+ 0 0 5 -4,-2.3 4,-3.3 -5,-0.2 3,-0.7 0.927 108.8 47.2 -62.1 -45.0 -1.6 -22.6 6.6 84 84 A V H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.8 49.2 -64.0 -38.2 -4.0 -25.4 5.9 85 85 A M H 3< S+ 0 0 17 -4,-2.0 -34,-3.1 -5,-0.2 -1,-0.2 0.638 124.5 28.3 -72.1 -16.6 -2.0 -26.2 2.7 86 86 A S H << S+ 0 0 35 -4,-1.0 2,-0.3 -3,-0.7 -2,-0.2 0.691 92.5 94.9-119.5 -26.7 1.3 -26.2 4.5 87 87 A N >X - 0 0 49 -4,-3.3 4,-2.2 -5,-0.2 3,-1.3 -0.519 66.2-137.1 -81.1 131.4 1.0 -27.2 8.2 88 88 A D H 3> S+ 0 0 74 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.793 99.7 71.1 -53.7 -31.4 1.5 -30.8 9.1 89 89 A F H 34 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.903 113.7 27.2 -50.3 -42.5 -1.5 -30.7 11.5 90 90 A F H X4 S+ 0 0 30 -3,-1.3 3,-1.3 -7,-0.2 -2,-0.2 0.861 120.7 52.9 -88.1 -42.1 -3.7 -30.6 8.3 91 91 A Q H 3< S+ 0 0 75 -4,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.719 98.9 63.8 -73.6 -23.5 -1.5 -32.4 5.8 92 92 A G T 3< 0 0 64 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.528 360.0 360.0 -72.6 -8.6 -1.1 -35.4 8.0 93 93 A S < 0 0 115 -3,-1.3 -3,-0.1 -5,-0.1 -2,-0.1 0.391 360.0 360.0 84.6 360.0 -4.9 -35.8 7.6 94 !* 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 95 2 B S 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.8 10.0 -14.8 18.5 96 3 B S + 0 0 101 4,-0.1 2,-0.0 5,-0.0 5,-0.0 0.239 360.0 123.6-106.7 7.6 8.4 -12.4 16.0 97 4 B S > - 0 0 41 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.301 63.2-126.7 -81.1 158.5 7.9 -14.2 12.7 98 5 B L H > S+ 0 0 1 -57,-0.3 4,-2.8 1,-0.2 5,-0.2 0.900 111.0 57.2 -64.1 -41.5 4.8 -14.7 10.7 99 6 B E H > S+ 0 0 105 -58,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.919 108.0 46.4 -54.7 -45.5 5.4 -18.4 10.6 100 7 B Q H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.838 111.0 52.4 -70.0 -35.2 5.5 -18.6 14.4 101 8 B A H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.919 110.9 46.6 -66.1 -44.0 2.4 -16.5 14.7 102 9 B L H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.860 107.8 57.7 -64.9 -36.8 0.5 -18.8 12.3 103 10 B A H X S+ 0 0 40 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.880 106.7 48.8 -60.3 -35.4 1.9 -21.8 14.2 104 11 B V H X S+ 0 0 37 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.858 106.2 56.1 -74.1 -37.3 0.3 -20.4 17.4 105 12 B L H X S+ 0 0 5 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.950 110.8 46.0 -57.7 -41.6 -3.0 -19.9 15.6 106 13 B V H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 113.9 45.8 -68.6 -49.1 -2.9 -23.6 14.7 107 14 B T H X S+ 0 0 89 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.899 112.8 50.5 -63.0 -32.7 -2.0 -24.9 18.2 108 15 B T H X S+ 0 0 11 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.867 109.7 52.4 -74.9 -37.6 -4.5 -22.7 19.9 109 16 B F H >X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.3 3,-1.2 0.971 113.8 41.4 -55.5 -54.2 -7.1 -23.9 17.5 110 17 B H H 3X S+ 0 0 66 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.841 100.4 70.5 -70.1 -31.1 -6.3 -27.6 18.2 111 18 B K H 3< S+ 0 0 112 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.858 117.8 24.7 -47.0 -40.2 -6.0 -26.9 22.0 112 19 B Y H X< S+ 0 0 11 -3,-1.2 3,-1.5 -4,-0.9 4,-0.4 0.835 120.4 55.0 -96.2 -42.1 -9.8 -26.4 21.7 113 20 B S H >< S+ 0 0 1 -4,-3.2 3,-0.6 1,-0.3 8,-0.3 0.764 101.4 61.5 -64.8 -28.0 -10.8 -28.5 18.6 114 21 B S T 3< S+ 0 0 45 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.627 86.0 78.2 -68.1 -17.3 -9.1 -31.6 20.1 115 22 B Q T < S+ 0 0 131 -3,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.819 104.3 8.9 -75.5 -26.7 -11.5 -31.7 23.1 116 23 B E S < S- 0 0 119 -3,-0.6 5,-0.2 -4,-0.4 -1,-0.1 -0.988 108.6 -25.5-145.5 158.6 -14.5 -33.2 21.4 117 24 B G S S+ 0 0 82 -2,-0.3 2,-0.3 2,-0.1 5,-0.0 -0.024 112.8 19.2 50.2-136.2 -15.5 -34.8 18.1 118 25 B D > - 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0 0 5 1,-0.3 -1,-0.3 -2,-0.3 -5,-0.2 0.316 45.9-158.6 -50.7-163.8 -14.0 -10.1 27.8 141 48 B E S S+ 0 0 166 -8,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.232 127.5 15.9 34.5 -92.9 -15.1 -11.7 30.2 142 49 B K S S- 0 0 174 -3,-0.2 2,-0.4 -10,-0.1 7,-0.0 -0.942 76.5-146.7-126.3 145.4 -17.1 -8.6 29.1 143 50 B V - 0 0 16 -2,-0.4 -4,-0.1 1,-0.1 -5,-0.0 -0.877 10.8-170.9-117.0 130.2 -16.9 -6.5 25.9 144 51 B D + 0 0 151 -2,-0.4 2,-0.2 4,-0.0 -1,-0.1 0.717 61.4 92.2 -89.8 -26.8 -17.5 -2.8 25.5 145 52 B E S > S- 0 0 71 1,-0.1 4,-2.8 2,-0.0 5,-0.1 -0.546 71.2-137.2 -81.8 138.3 -17.5 -2.6 21.7 146 53 B E H > S+ 0 0 125 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.902 103.5 46.2 -52.6 -54.7 -20.8 -2.9 19.8 147 54 B G H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 114.0 48.7 -61.7 -39.9 -19.5 -5.1 17.0 148 55 B L H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 108.3 53.8 -69.0 -43.3 -17.8 -7.4 19.5 149 56 B K H X S+ 0 0 103 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.931 112.3 44.8 -52.5 -49.4 -20.9 -7.7 21.7 150 57 B K H X S+ 0 0 141 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 111.8 51.8 -62.7 -46.3 -23.0 -8.8 18.7 151 58 B L H X S+ 0 0 20 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.897 112.6 45.7 -58.5 -43.2 -20.3 -11.2 17.5 152 59 B M H X S+ 0 0 10 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.901 110.9 52.1 -71.9 -38.1 -20.1 -12.9 21.0 153 60 B G H X S+ 0 0 34 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.892 107.7 53.4 -62.9 -37.0 -23.9 -13.1 21.4 154 61 B S H X S+ 0 0 54 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.892 102.9 55.6 -68.2 -40.5 -24.2 -14.8 18.0 155 62 B L H < S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.890 110.3 48.1 -56.3 -41.0 -21.6 -17.4 19.0 156 63 B D H >< S+ 0 0 89 -4,-1.5 3,-1.4 2,-0.2 -2,-0.2 0.938 111.4 47.9 -63.2 -50.3 -23.9 -18.2 22.0 157 64 B E H 3< S+ 0 0 167 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.839 124.0 33.7 -57.9 -33.5 -27.1 -18.3 19.9 158 65 B N T >< S+ 0 0 44 -4,-2.2 3,-2.3 -5,-0.2 -34,-0.4 0.000 78.8 136.9-114.5 28.1 -25.4 -20.6 17.4 159 66 B S T < + 0 0 51 -3,-1.4 -34,-2.1 1,-0.3 -33,-0.4 0.602 66.7 55.8 -60.0 -17.6 -23.2 -22.5 19.9 160 67 B D T 3 S+ 0 0 125 -3,-0.2 -1,-0.3 -36,-0.2 2,-0.2 0.577 82.2 104.2 -94.7 -9.7 -23.7 -25.9 18.4 161 68 B Q < - 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0 0 28 -4,-2.8 4,-1.6 -5,-0.2 3,-1.1 -0.494 66.2-135.0 -82.1 133.8 -6.8 -3.4 17.5 181 88 B D H 3> S+ 0 0 137 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.802 101.0 68.6 -50.0 -31.6 -5.6 0.3 17.8 182 89 B F H 34 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.934 113.1 27.6 -56.1 -46.5 -4.2 0.1 14.3 183 90 B F H <4 S+ 0 0 28 -3,-1.1 -1,-0.2 -7,-0.3 -2,-0.2 0.710 126.6 47.5 -84.8 -24.2 -7.7 -0.2 12.8 184 91 B Q H < S+ 0 0 93 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.733 108.0 50.3 -98.7 -29.9 -9.5 1.7 15.5 185 92 B G < 0 0 68 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.1 0.365 360.0 360.0 -86.1 5.3 -7.3 4.7 16.0 186 93 B S 0 0 107 -5,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.400 360.0 360.0 -62.7 360.0 -7.4 5.3 12.2