==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 02-MAY-08 3D0Y . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.OSTENDORP,J.DIEZ,C.W.HEIZMANN,G.FRITZ . 180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 70.6 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 . 4 2.2 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 . 8 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 56.1 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 0 0 0 0 0 0 0 4 0 0 0 0 0 2 1 1 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 . 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 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 0 A X 0 0 150 0, 0.0 131,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 143.8 -5.6 4.4 -6.2 2 1 A S > - 0 0 17 129,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.229 360.0 -97.2 -59.0 165.0 -4.4 1.1 -7.5 3 2 A E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.921 126.9 47.4 -51.2 -43.5 -3.8 -1.9 -5.1 4 3 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 111.6 49.0 -66.7 -45.4 -0.0 -1.0 -5.1 5 4 A E H > S+ 0 0 0 126,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.908 111.7 50.6 -60.1 -42.0 -0.6 2.7 -4.6 6 5 A K H X S+ 0 0 92 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.901 108.1 52.3 -58.7 -43.7 -2.9 1.8 -1.7 7 6 A A H X S+ 0 0 4 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.930 109.1 50.3 -63.6 -41.3 -0.3 -0.4 -0.2 8 7 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.923 109.8 48.2 -62.6 -45.4 2.3 2.3 -0.3 9 8 A V H X S+ 0 0 26 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.891 109.4 56.2 -61.5 -39.8 0.1 4.9 1.3 10 9 A A H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.865 104.0 52.2 -63.1 -36.3 -0.7 2.2 4.0 11 10 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.921 112.4 45.6 -63.8 -42.1 3.0 1.8 4.8 12 11 A I H X S+ 0 0 15 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 112.5 52.5 -65.1 -41.9 3.3 5.6 5.3 13 12 A D H X S+ 0 0 81 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.925 110.1 45.1 -58.8 -52.7 0.2 5.6 7.4 14 13 A V H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 5,-0.2 0.878 111.0 54.6 -66.9 -37.6 1.2 2.9 9.8 15 14 A F H >X S+ 0 0 0 -4,-1.9 4,-3.3 -5,-0.2 3,-0.5 0.960 111.9 43.7 -55.5 -53.1 4.7 4.4 10.2 16 15 A H H 3X S+ 0 0 58 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.856 106.1 61.1 -63.2 -40.2 3.2 7.7 11.2 17 16 A Q H 3< S+ 0 0 111 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.811 118.9 28.6 -54.9 -34.6 0.6 6.2 13.5 18 17 A Y H X< S+ 0 0 8 -4,-1.4 3,-1.1 -3,-0.5 4,-0.4 0.826 116.9 55.4 -97.1 -35.8 3.4 4.8 15.6 19 18 A S H 3< S+ 0 0 0 -4,-3.3 8,-0.5 -5,-0.2 3,-0.3 0.800 103.6 55.9 -67.9 -30.4 6.3 7.2 15.1 20 19 A G T 3< S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 5,-0.1 0.426 83.3 87.2 -83.7 -0.1 4.3 10.3 16.2 21 20 A R S < S- 0 0 124 -3,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.959 100.0 -0.5 -66.5 -51.2 3.3 9.0 19.6 22 21 A E S S- 0 0 132 -4,-0.4 5,-0.2 -3,-0.3 -1,-0.2 -0.941 110.7 -14.9-142.1 160.0 6.3 10.1 21.5 23 22 A G S S+ 0 0 79 -2,-0.3 2,-0.2 -3,-0.1 5,-0.0 -0.205 119.6 26.2 54.1-132.6 9.6 11.9 21.1 24 23 A D S > S- 0 0 69 1,-0.2 3,-0.9 2,-0.1 -2,-0.3 -0.437 71.3-152.5 -58.9 120.9 10.7 12.3 17.5 25 24 A K T 3 S+ 0 0 59 1,-0.2 -1,-0.2 -2,-0.2 -4,-0.1 0.584 94.0 50.2 -74.0 -13.2 7.5 12.2 15.5 26 25 A H T 3 S+ 0 0 65 -7,-0.1 45,-0.4 -6,-0.1 2,-0.3 0.248 105.5 65.0-113.8 8.2 9.3 10.8 12.5 27 26 A K S < S- 0 0 48 -3,-0.9 2,-0.6 -8,-0.5 43,-0.2 -0.980 73.7-128.6-132.7 146.5 11.1 8.0 14.3 28 27 A L B -A 69 0A 0 41,-2.9 41,-2.8 -2,-0.3 2,-0.2 -0.847 22.4-159.2 -85.6 120.9 10.1 4.8 16.0 29 28 A K > - 0 0 25 -2,-0.6 4,-2.6 39,-0.2 5,-0.2 -0.465 42.2 -89.9 -85.8 168.6 11.6 4.5 19.5 30 29 A K H > S+ 0 0 81 37,-0.3 4,-2.6 1,-0.2 5,-0.1 0.872 129.0 47.9 -51.3 -43.5 11.7 0.9 21.0 31 30 A S H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 112.2 49.3 -68.4 -37.9 8.3 1.2 22.6 32 31 A E H > S+ 0 0 2 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.889 112.6 48.1 -61.8 -42.5 6.7 2.5 19.4 33 32 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.925 109.5 52.8 -68.0 -40.9 8.3 -0.3 17.4 34 33 A K H X S+ 0 0 71 -4,-2.6 4,-2.8 -5,-0.2 14,-0.3 0.934 111.2 45.7 -58.9 -48.8 7.1 -2.9 19.9 35 34 A E H X S+ 0 0 70 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.906 111.0 54.4 -63.4 -41.2 3.5 -1.7 19.7 36 35 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.4 0.950 113.9 40.2 -58.8 -50.9 3.7 -1.6 15.9 37 36 A I H X S+ 0 0 1 -4,-2.6 4,-2.0 3,-0.2 8,-0.2 0.949 118.2 46.4 -62.4 -48.9 4.9 -5.2 15.6 38 37 A N H < S+ 0 0 24 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.847 124.0 32.7 -61.4 -39.7 2.5 -6.6 18.3 39 38 A N H < S+ 0 0 80 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.802 131.2 28.6 -88.0 -33.8 -0.6 -4.7 16.9 40 39 A E H < S+ 0 0 38 -4,-2.3 56,-0.5 -5,-0.4 53,-0.2 0.531 124.4 39.3-114.1 -12.5 0.1 -4.7 13.2 41 40 A L X + 0 0 0 -4,-2.0 4,-2.9 -5,-0.4 3,-0.5 -0.013 69.5 131.9-124.6 33.6 2.2 -7.8 12.5 42 41 A S T 4 S+ 0 0 68 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.626 78.3 39.8 -65.1 -16.6 0.5 -10.2 14.8 43 42 A H T 4 S+ 0 0 110 -3,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.680 120.5 41.0-100.7 -26.4 0.2 -12.9 12.1 44 43 A F T 4 S+ 0 0 49 -3,-0.5 2,-0.4 1,-0.2 -2,-0.2 0.815 119.0 39.6 -93.8 -31.7 3.6 -12.5 10.4 45 44 A L S < S- 0 0 54 -4,-2.9 -1,-0.2 -8,-0.2 3,-0.1 -0.957 86.5-107.6-124.0 137.3 5.7 -12.0 13.5 46 45 A E - 0 0 92 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.305 51.3 -94.6 -51.2 138.6 5.7 -13.6 17.0 47 46 A E - 0 0 118 -5,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.299 35.1-125.6 -58.6 138.5 4.3 -11.3 19.6 48 47 A I + 0 0 7 -14,-0.3 -1,-0.1 1,-0.1 -10,-0.1 -0.807 48.2 147.4 -90.6 117.9 7.0 -9.3 21.5 49 48 A K + 0 0 142 -2,-0.7 2,-0.4 1,-0.1 -1,-0.1 0.202 54.6 75.7-129.1 6.6 6.7 -9.8 25.3 50 49 A E >> - 0 0 125 1,-0.1 4,-1.6 0, 0.0 3,-1.1 -0.994 69.4-141.5-129.8 131.3 10.4 -9.6 26.2 51 50 A Q H 3> S+ 0 0 121 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.846 104.1 61.0 -53.5 -39.0 12.6 -6.5 26.4 52 51 A E H 3> S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.844 103.5 49.0 -62.8 -32.6 15.5 -8.5 24.9 53 52 A V H <> S+ 0 0 65 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.901 110.3 49.4 -71.5 -44.1 13.4 -9.1 21.8 54 53 A V H X S+ 0 0 6 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.941 112.9 50.5 -54.6 -46.2 12.5 -5.4 21.4 55 54 A D H X S+ 0 0 56 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.880 110.3 47.1 -60.2 -44.3 16.2 -4.7 21.9 56 55 A K H X S+ 0 0 42 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.887 110.6 52.3 -70.3 -38.3 17.3 -7.2 19.2 57 56 A V H X S+ 0 0 36 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.937 112.0 45.0 -65.5 -45.8 14.8 -6.0 16.7 58 57 A M H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.889 111.4 53.5 -60.2 -40.9 15.9 -2.4 17.0 59 58 A E H < S+ 0 0 156 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.929 111.9 46.3 -60.7 -43.0 19.6 -3.4 16.9 60 59 A T H < S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 119.5 39.0 -66.5 -38.5 18.9 -5.2 13.7 61 60 A L H < S+ 0 0 7 -4,-2.1 2,-1.6 -5,-0.1 -2,-0.2 0.761 92.6 89.7 -83.0 -30.7 16.9 -2.3 12.1 62 61 A D >< + 0 0 24 -4,-2.7 3,-0.9 1,-0.2 5,-0.2 -0.502 42.3 163.2 -84.1 84.6 18.9 0.7 13.3 63 62 A N T 3 S+ 0 0 127 -2,-1.6 -1,-0.2 1,-0.3 6,-0.1 0.715 74.9 49.2 -75.8 -25.6 21.5 1.2 10.6 64 63 A D T 3 S- 0 0 91 4,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.378 104.4-126.8 -97.1 4.6 22.5 4.8 11.6 65 64 A G S < S+ 0 0 61 -3,-0.9 -2,-0.1 -6,-0.1 -3,-0.1 0.632 71.7 123.5 66.8 19.4 22.9 3.9 15.3 66 65 A D S S- 0 0 69 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.265 81.3-115.0 -91.9 11.5 20.6 6.5 16.9 67 66 A G S S+ 0 0 35 1,-0.2 -37,-0.3 -5,-0.2 2,-0.3 0.569 85.6 93.6 64.6 11.6 18.6 3.8 18.7 68 67 A E S S- 0 0 51 -39,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.899 75.0-121.3-129.8 161.6 15.5 4.7 16.7 69 68 A C B -A 28 0A 1 -41,-2.8 -41,-2.9 -2,-0.3 -7,-0.1 -0.911 31.3-167.7-104.6 109.1 13.9 3.4 13.5 70 69 A D > - 0 0 30 -2,-0.7 4,-2.3 -43,-0.2 5,-0.2 -0.162 40.9 -88.5 -85.9-177.6 13.5 6.2 10.9 71 70 A F H > S+ 0 0 15 -45,-0.4 4,-2.8 2,-0.2 5,-0.2 0.939 127.1 49.2 -63.4 -41.7 11.4 6.0 7.7 72 71 A Q H > S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 114.1 46.9 -63.7 -44.2 14.2 4.5 5.6 73 72 A E H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 109.6 53.1 -63.3 -36.0 14.9 1.9 8.2 74 73 A F H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.912 106.3 53.7 -67.6 -44.2 11.2 1.1 8.5 75 74 A M H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.923 108.2 49.8 -51.0 -44.7 11.1 0.6 4.7 76 75 A A H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.880 111.0 49.9 -61.5 -40.1 14.0 -1.9 5.1 77 76 A F H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.931 108.7 51.3 -64.0 -49.7 12.1 -3.6 7.9 78 77 A V H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.937 110.7 50.1 -51.2 -44.9 9.0 -3.8 5.7 79 78 A A H X S+ 0 0 21 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.903 109.9 49.3 -64.1 -40.7 11.1 -5.4 2.9 80 79 A M H X S+ 0 0 95 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.948 115.0 44.0 -67.5 -41.2 12.6 -8.0 5.2 81 80 A V H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.945 115.6 47.6 -63.6 -45.5 9.2 -9.0 6.6 82 81 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.904 112.8 48.9 -65.1 -44.8 7.6 -9.0 3.2 83 82 A T H X S+ 0 0 34 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.907 109.2 52.9 -57.3 -46.3 10.4 -11.0 1.6 84 83 A A H X S+ 0 0 57 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.930 112.1 45.8 -57.6 -47.5 10.2 -13.5 4.5 85 84 A C H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.940 110.4 53.6 -61.8 -51.0 6.5 -14.0 3.9 86 85 A H H < S+ 0 0 8 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.932 116.9 37.5 -43.6 -57.3 7.1 -14.3 0.1 87 86 A E H >< S+ 0 0 118 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.873 114.3 54.9 -66.2 -42.1 9.7 -17.1 0.7 88 87 A F H 3< S+ 0 0 160 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 108.3 46.8 -64.0 -41.4 7.9 -18.8 3.5 89 88 A F T 3< 0 0 143 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.414 360.0 360.0 -91.2 4.2 4.6 -19.3 1.8 90 89 A E < 0 0 119 -3,-1.0 0, 0.0 -4,-0.4 0, 0.0 -0.839 360.0 360.0-106.1 360.0 5.9 -20.6 -1.5 91 !* 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 92 0 B M 0 0 117 0, 0.0 -51,-0.1 0, 0.0 -52,-0.0 0.000 360.0 360.0 360.0 146.0 -5.2 -8.8 8.6 93 1 B S > - 0 0 18 -53,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.280 360.0-103.5 -69.9 164.9 -4.0 -5.4 9.7 94 2 B E H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.934 125.2 50.3 -55.1 -42.8 -3.6 -2.6 7.2 95 3 B L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 111.0 47.2 -60.2 -48.4 0.2 -3.2 7.2 96 4 B E H > S+ 0 0 1 -56,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.905 112.4 49.7 -58.9 -44.8 -0.2 -7.0 6.7 97 5 B K H X S+ 0 0 102 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.859 109.9 52.3 -62.2 -39.7 -2.7 -6.4 3.8 98 6 B A H X S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.922 108.5 49.4 -62.6 -44.2 -0.2 -4.0 2.3 99 7 B M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.914 111.9 48.4 -63.3 -41.2 2.6 -6.5 2.4 100 8 B V H X S+ 0 0 69 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.907 108.2 56.2 -63.8 -39.5 0.3 -9.1 0.8 101 9 B A H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.882 105.0 51.5 -60.5 -39.0 -0.6 -6.5 -1.8 102 10 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.941 112.4 44.9 -64.8 -44.4 3.1 -6.0 -2.7 103 11 B I H X S+ 0 0 20 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.936 113.7 52.0 -67.2 -42.7 3.7 -9.7 -3.2 104 12 B D H X S+ 0 0 79 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.930 111.5 43.6 -55.4 -54.7 0.4 -10.0 -5.2 105 13 B V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 5,-0.3 0.963 112.8 53.3 -63.0 -46.3 1.1 -7.2 -7.7 106 14 B F H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 3,-0.4 0.927 112.2 44.3 -50.9 -52.0 4.6 -8.4 -8.2 107 15 B H H X S+ 0 0 60 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.893 106.8 61.9 -59.1 -41.3 3.4 -11.9 -9.0 108 16 B Q H < S+ 0 0 91 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.888 118.2 26.5 -52.8 -40.2 0.7 -10.5 -11.3 109 17 B Y H >< S+ 0 0 6 -4,-1.9 3,-1.3 -3,-0.4 4,-0.4 0.843 117.6 56.3 -95.3 -34.9 3.3 -8.9 -13.6 110 18 B S H 3< S+ 0 0 0 -4,-3.0 8,-0.6 -5,-0.3 3,-0.3 0.784 102.2 60.9 -69.3 -24.7 6.3 -11.2 -13.1 111 19 B G T 3< S+ 0 0 47 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.489 85.1 79.3 -83.3 -1.3 4.2 -14.2 -14.1 112 20 B R S < S+ 0 0 128 -3,-1.3 2,-0.3 3,-0.1 -1,-0.2 0.897 97.3 11.9 -76.6 -44.3 3.3 -13.0 -17.6 113 21 B E S S- 0 0 102 -4,-0.4 5,-0.2 -3,-0.3 7,-0.1 -0.909 109.8 -26.5-139.1 155.8 6.4 -13.8 -19.7 114 22 B G S S+ 0 0 66 -2,-0.3 2,-0.2 2,-0.1 5,-0.0 -0.115 121.5 34.8 47.1-129.1 9.7 -15.7 -19.5 115 23 B D S > S- 0 0 58 1,-0.1 3,-1.3 2,-0.1 -2,-0.3 -0.348 72.2-154.7 -53.5 116.1 10.8 -16.0 -15.8 116 24 B K T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.540 91.3 46.9 -75.9 -5.1 7.5 -16.3 -13.8 117 25 B H T 3 S+ 0 0 74 -6,-0.1 45,-0.4 -8,-0.1 2,-0.3 0.130 107.2 59.2-127.4 8.8 9.2 -14.9 -10.7 118 26 B K S < S- 0 0 52 -3,-1.3 2,-0.6 -8,-0.6 43,-0.2 -0.978 77.2-119.3-139.1 155.1 11.0 -11.9 -12.2 119 27 B L B -B 160 0B 0 41,-3.3 41,-2.6 -2,-0.3 2,-0.1 -0.849 24.5-161.3 -91.6 114.9 9.9 -8.8 -14.0 120 28 B K > - 0 0 52 -2,-0.6 4,-2.8 39,-0.2 3,-0.2 -0.407 43.3 -89.3 -79.7 174.6 11.4 -8.4 -17.5 121 29 B K H > S+ 0 0 79 37,-0.4 4,-2.6 1,-0.2 5,-0.2 0.891 128.0 49.8 -52.4 -44.2 11.4 -4.9 -19.1 122 30 B S H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 113.4 45.9 -64.7 -38.8 8.0 -5.3 -20.6 123 31 B E H > S+ 0 0 2 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 112.7 50.3 -70.7 -41.5 6.4 -6.5 -17.4 124 32 B L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.898 110.2 50.5 -60.4 -43.0 8.1 -3.7 -15.4 125 33 B K H X S+ 0 0 58 -4,-2.6 4,-2.8 -5,-0.2 14,-0.3 0.923 112.6 46.1 -63.9 -44.6 6.8 -1.0 -17.9 126 34 B E H X S+ 0 0 62 -4,-1.9 4,-2.8 -5,-0.2 5,-0.4 0.914 109.9 54.0 -70.4 -36.8 3.3 -2.4 -17.6 127 35 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.917 114.2 41.7 -56.2 -49.8 3.4 -2.6 -13.8 128 36 B I H X S+ 0 0 5 -4,-2.2 4,-1.7 3,-0.2 8,-0.2 0.927 117.3 47.9 -65.8 -45.2 4.5 1.1 -13.6 129 37 B N H < S+ 0 0 21 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.879 123.9 29.4 -67.0 -37.8 2.0 2.2 -16.2 130 38 B N H < S+ 0 0 76 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.784 131.2 31.6 -91.1 -30.8 -1.0 0.4 -14.8 131 39 B E H < S+ 0 0 37 -4,-2.1 -126,-0.5 -5,-0.4 -129,-0.2 0.559 124.3 38.9-113.7 -15.6 -0.3 0.3 -11.1 132 40 B L S >X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.3 3,-1.3 0.009 72.7 125.5-124.0 32.7 1.6 3.4 -10.5 133 41 B S T 34 S+ 0 0 64 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.714 76.9 46.3 -68.5 -19.1 -0.3 5.7 -12.8 134 42 B H T 34 S+ 0 0 108 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.531 121.2 34.3 -99.7 -5.9 -1.0 8.2 -10.0 135 43 B F T <4 S+ 0 0 50 -3,-1.3 2,-0.4 1,-0.2 -2,-0.2 0.633 117.1 43.1-116.8 -35.3 2.5 8.4 -8.6 136 44 B L S < S- 0 0 55 -4,-2.9 -1,-0.2 -8,-0.2 3,-0.1 -0.934 85.5-103.9-120.0 145.5 4.8 8.0 -11.6 137 45 B E - 0 0 167 -2,-0.4 -3,-0.1 1,-0.1 -5,-0.0 -0.358 50.3 -94.2 -59.8 141.4 4.7 9.5 -15.1 138 46 B E - 0 0 126 -5,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.306 36.1-126.3 -60.9 135.7 3.6 7.1 -17.8 139 47 B I + 0 0 9 -14,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.790 44.0 152.9 -87.0 124.1 6.5 5.3 -19.5 140 48 B K + 0 0 137 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.188 51.6 71.9-134.6 6.6 6.2 5.8 -23.3 141 49 B E S >> S- 0 0 113 1,-0.1 4,-1.6 0, 0.0 3,-1.0 -0.997 70.3-136.4-132.2 138.1 9.9 5.5 -24.4 142 50 B Q H 3> S+ 0 0 121 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.868 105.8 60.0 -52.7 -39.3 12.2 2.5 -24.6 143 51 B E H 3> S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.793 102.7 51.7 -68.0 -26.4 15.0 4.6 -23.1 144 52 B V H <> S+ 0 0 49 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.909 111.6 44.6 -75.7 -43.4 13.0 5.2 -19.9 145 53 B V H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.919 113.2 52.8 -67.5 -36.9 12.2 1.6 -19.3 146 54 B D H X S+ 0 0 57 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.944 111.7 45.5 -55.6 -50.4 15.8 0.7 -20.1 147 55 B K H X S+ 0 0 98 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.911 111.8 50.8 -64.4 -44.3 17.0 3.3 -17.5 148 56 B V H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.939 113.3 46.4 -58.4 -46.5 14.5 2.2 -14.8 149 57 B M H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.912 110.9 51.1 -62.6 -46.0 15.6 -1.4 -15.2 150 58 B E H < S+ 0 0 154 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.935 110.8 51.3 -54.2 -48.7 19.2 -0.5 -15.1 151 59 B T H < S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.897 118.9 33.6 -54.5 -49.3 18.6 1.4 -11.9 152 60 B L H < S+ 0 0 2 -4,-2.3 2,-1.9 1,-0.1 -1,-0.2 0.682 94.3 91.6 -89.5 -15.0 16.8 -1.4 -10.1 153 61 B D >< + 0 0 26 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.1 -0.502 45.1 162.2 -79.2 76.8 18.7 -4.3 -11.5 154 62 B N T 3 S+ 0 0 124 -2,-1.9 -1,-0.2 1,-0.2 6,-0.1 0.665 72.5 48.1 -72.8 -18.7 21.4 -4.6 -8.9 155 63 B D T 3 S- 0 0 92 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.417 106.6-124.9-102.3 -1.0 22.5 -8.2 -9.7 156 64 B G S < S+ 0 0 61 -3,-0.8 -2,-0.1 -6,-0.1 -3,-0.1 0.765 70.7 124.6 66.7 32.5 22.8 -7.4 -13.5 157 65 B D S S- 0 0 72 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.367 79.1-113.8 -98.2 7.4 20.5 -10.1 -15.0 158 66 B G S S+ 0 0 36 1,-0.3 -37,-0.4 -5,-0.1 2,-0.3 0.521 87.8 92.5 74.5 3.9 18.3 -7.6 -16.9 159 67 B E S S- 0 0 34 -39,-0.1 2,-0.6 -38,-0.1 -2,-0.4 -0.849 75.4-124.0-122.5 165.1 15.3 -8.6 -14.8 160 68 B C B -B 119 0B 0 -41,-2.6 -41,-3.3 -2,-0.3 2,-0.1 -0.952 29.6-166.2-107.8 110.2 13.8 -7.3 -11.6 161 69 B D > - 0 0 32 -2,-0.6 4,-2.4 -43,-0.2 5,-0.2 -0.300 40.6 -90.8 -86.2 175.9 13.5 -10.0 -8.9 162 70 B F H > S+ 0 0 10 -45,-0.4 4,-3.1 1,-0.2 5,-0.1 0.902 126.4 51.6 -59.8 -44.9 11.4 -9.7 -5.7 163 71 B Q H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 113.5 44.8 -53.9 -44.5 14.2 -8.2 -3.7 164 72 B E H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.849 110.2 54.5 -70.5 -34.9 14.9 -5.6 -6.3 165 73 B F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.926 105.7 54.3 -64.9 -44.6 11.2 -4.9 -6.7 166 74 B M H X S+ 0 0 7 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.920 106.1 50.4 -57.2 -40.9 11.1 -4.2 -2.9 167 75 B A H X S+ 0 0 40 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.899 111.1 50.4 -60.4 -37.4 13.9 -1.6 -3.2 168 76 B F H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.953 109.1 50.6 -61.8 -46.0 11.8 -0.0 -6.0 169 77 B V H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.929 109.9 51.0 -58.7 -44.3 8.7 -0.0 -3.8 170 78 B A H X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.924 109.5 50.5 -63.3 -40.6 10.8 1.7 -1.1 171 79 B M H X S+ 0 0 84 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.931 114.9 41.8 -58.3 -54.5 12.0 4.4 -3.5 172 80 B V H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.919 114.4 51.4 -63.7 -42.8 8.5 5.2 -4.7 173 81 B T H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.936 110.2 49.4 -60.9 -48.3 7.0 5.1 -1.2 174 82 B T H X S+ 0 0 38 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.916 110.1 50.8 -55.4 -47.0 9.7 7.4 0.1 175 83 B A H X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.928 111.0 48.3 -58.1 -48.0 9.0 9.8 -2.8 176 84 B C H X S+ 0 0 9 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.895 110.6 53.0 -57.2 -40.8 5.2 9.7 -2.0 177 85 B H H X S+ 0 0 10 -4,-2.6 4,-0.8 1,-0.2 3,-0.2 0.960 112.5 42.4 -58.2 -54.3 6.1 10.4 1.7 178 86 B E H >< S+ 0 0 124 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.882 108.4 61.3 -58.7 -43.5 8.2 13.4 0.9 179 87 B F H 3< S+ 0 0 166 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.881 104.3 47.1 -55.0 -43.6 5.6 14.7 -1.6 180 88 B F H 3< 0 0 137 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.721 360.0 360.0 -74.0 -20.2 2.9 15.0 0.9 181 89 B E << 0 0 132 -3,-0.8 -3,-0.0 -4,-0.8 -4,-0.0 -0.234 360.0 360.0-107.7 360.0 5.2 16.8 3.4