==== 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 3D10 . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.OSTENDORP,J.DIEZ,C.W.HEIZMANN,G.FRITZ . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 69.4 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 . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 54.6 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 2 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 . 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 M 0 0 125 0, 0.0 133,-0.1 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 146.0 -5.8 4.4 -6.5 2 1 A S > - 0 0 21 131,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.239 360.0-100.0 -66.9 170.2 -4.6 1.0 -7.7 3 2 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.917 125.1 49.4 -58.6 -40.0 -3.9 -1.8 -5.1 4 3 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 111.5 47.8 -65.0 -48.2 -0.1 -1.1 -5.3 5 4 A E H > S+ 0 0 0 128,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.927 111.8 50.3 -58.1 -44.3 -0.6 2.6 -4.8 6 5 A K H X S+ 0 0 83 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.884 108.8 53.1 -61.5 -41.2 -3.0 1.9 -1.9 7 6 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 109.3 48.8 -59.1 -41.8 -0.4 -0.4 -0.4 8 7 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.928 110.9 48.5 -66.0 -44.0 2.3 2.3 -0.6 9 8 A V H X S+ 0 0 35 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.904 109.1 55.2 -64.2 -34.6 0.0 4.8 1.0 10 9 A A H X S+ 0 0 13 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.866 104.7 52.9 -69.2 -35.1 -0.8 2.3 3.8 11 10 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.915 111.9 45.2 -59.3 -46.0 2.9 1.8 4.6 12 11 A I H X S+ 0 0 14 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.919 114.0 50.3 -68.6 -39.8 3.3 5.6 5.0 13 12 A D H X S+ 0 0 75 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.922 109.8 47.7 -63.5 -46.5 0.2 5.8 7.0 14 13 A V H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 5,-0.2 0.902 109.9 54.2 -65.9 -39.6 1.1 3.0 9.5 15 14 A F H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 -1,-0.2 0.902 111.7 44.3 -53.2 -45.9 4.6 4.5 10.0 16 15 A H H X S+ 0 0 58 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.848 106.1 60.2 -76.3 -31.3 3.2 7.9 10.9 17 16 A Q H < S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.935 118.2 30.6 -57.6 -45.7 0.5 6.4 13.2 18 17 A Y H >< S+ 0 0 7 -4,-1.8 3,-1.0 1,-0.1 4,-0.3 0.828 117.6 53.6 -85.7 -37.7 3.2 4.8 15.3 19 18 A S H 3< S+ 0 0 0 -4,-3.1 8,-0.5 1,-0.2 3,-0.5 0.801 102.7 57.0 -68.2 -34.5 6.1 7.3 14.9 20 19 A G T 3< S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.2 5,-0.1 0.306 83.2 89.8 -78.6 9.4 4.1 10.4 16.0 21 20 A R S < S- 0 0 127 -3,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.927 100.2 -8.2 -74.6 -45.2 3.2 8.9 19.3 22 21 A E S S- 0 0 101 -3,-0.5 -1,-0.3 -4,-0.3 5,-0.2 -0.989 110.2 -7.0-149.2 161.3 6.2 10.2 21.3 23 22 A G S S+ 0 0 59 -2,-0.3 2,-0.5 -3,-0.1 5,-0.0 -0.325 119.9 23.1 61.5-137.2 9.5 12.0 20.8 24 23 A D S > S- 0 0 72 1,-0.2 3,-1.7 2,-0.1 -2,-0.2 -0.503 75.3-148.8 -58.9 111.9 10.6 12.6 17.2 25 24 A K T 3 S+ 0 0 151 -2,-0.5 -1,-0.2 1,-0.3 -6,-0.1 0.564 93.6 52.3 -64.8 -6.5 7.3 12.4 15.5 26 25 A H T 3 S+ 0 0 71 -7,-0.1 45,-0.5 -6,-0.1 2,-0.3 0.097 102.2 65.7-117.0 14.9 9.0 11.0 12.4 27 26 A K S < S- 0 0 52 -3,-1.7 2,-0.6 -8,-0.5 43,-0.2 -0.997 75.1-125.2-137.2 146.8 10.9 8.1 14.0 28 27 A L B -A 69 0A 0 41,-3.2 41,-2.6 -2,-0.3 2,-0.2 -0.786 24.0-161.3 -85.7 114.2 9.9 4.8 15.8 29 28 A K >> - 0 0 63 -2,-0.6 4,-3.1 -11,-0.2 3,-0.6 -0.491 40.9 -89.8 -82.3 172.7 11.3 4.4 19.3 30 29 A K H 3> S+ 0 0 76 37,-0.4 4,-2.7 1,-0.3 5,-0.2 0.874 126.7 48.7 -54.7 -43.4 11.4 1.0 20.8 31 30 A S H 3> S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.881 113.1 46.7 -67.6 -35.0 8.0 1.2 22.4 32 31 A E H <> S+ 0 0 3 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.881 112.9 50.9 -71.4 -40.9 6.3 2.5 19.2 33 32 A L H X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.944 109.4 49.3 -56.9 -48.5 8.0 -0.2 17.2 34 33 A K H X S+ 0 0 74 -4,-2.7 4,-2.9 -5,-0.3 14,-0.3 0.913 114.0 46.5 -62.4 -42.1 6.9 -3.0 19.6 35 34 A E H X S+ 0 0 68 -4,-2.0 4,-2.4 2,-0.2 5,-0.4 0.874 111.1 51.9 -69.5 -37.9 3.3 -1.6 19.5 36 35 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.4 0.954 114.4 43.3 -60.1 -48.6 3.4 -1.4 15.7 37 36 A I H X S+ 0 0 4 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.959 116.2 47.5 -62.8 -48.7 4.6 -5.0 15.4 38 37 A N H < S+ 0 0 21 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.853 122.9 30.7 -58.7 -41.7 2.2 -6.3 18.0 39 38 A N H < S+ 0 0 82 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.796 130.4 31.7 -88.6 -34.6 -0.9 -4.6 16.6 40 39 A E H < S+ 0 0 41 -4,-2.4 58,-0.6 -5,-0.4 55,-0.2 0.523 121.8 41.9-110.1 -14.1 -0.2 -4.5 12.9 41 40 A L >X + 0 0 0 -4,-1.9 4,-2.6 -5,-0.4 3,-1.0 0.004 68.7 125.8-120.1 33.7 1.9 -7.7 12.3 42 41 A S T 34 S+ 0 0 68 1,-0.2 5,-0.2 2,-0.2 -1,-0.1 0.761 76.8 47.2 -61.5 -24.6 0.1 -10.2 14.4 43 42 A H T 34 S+ 0 0 121 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.625 121.4 32.2 -96.7 -13.5 -0.3 -12.6 11.4 44 43 A F T <4 S+ 0 0 70 -3,-1.0 2,-0.4 1,-0.2 -2,-0.2 0.600 118.8 46.3-115.6 -21.6 3.2 -12.6 10.1 45 44 A L S < S- 0 0 42 -4,-2.6 -1,-0.2 -8,-0.2 2,-0.1 -0.984 83.6-109.9-132.4 135.9 5.3 -12.0 13.3 46 45 A E - 0 0 186 -2,-0.4 -3,-0.1 1,-0.1 -4,-0.0 -0.364 50.0 -97.4 -56.2 129.0 5.2 -13.6 16.7 47 46 A E - 0 0 106 -5,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.242 35.6-125.3 -49.6 133.5 3.9 -11.2 19.4 48 47 A I + 0 0 10 -14,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.778 44.8 152.2 -87.7 124.6 6.7 -9.5 21.3 49 48 A K + 0 0 144 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.221 53.6 74.2-134.6 2.6 6.4 -9.9 25.0 50 49 A E S >> S- 0 0 121 1,-0.1 4,-1.5 0, 0.0 3,-1.3 -0.995 70.7-137.3-129.3 129.7 10.0 -9.6 26.1 51 50 A Q H 3> S+ 0 0 122 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.822 104.7 60.1 -43.1 -41.3 12.3 -6.5 26.3 52 51 A E H 3> S+ 0 0 146 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.855 103.1 50.9 -67.2 -26.2 15.2 -8.4 24.7 53 52 A V H <> S+ 0 0 66 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.926 110.2 48.0 -73.8 -46.4 13.1 -9.1 21.5 54 53 A V H X S+ 0 0 7 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.949 113.8 50.8 -49.2 -49.7 12.2 -5.4 21.1 55 54 A D H X S+ 0 0 55 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.862 111.1 45.4 -61.9 -44.9 15.9 -4.6 21.7 56 55 A K H X S+ 0 0 102 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.873 111.1 52.9 -69.7 -38.9 17.2 -7.1 19.1 57 56 A V H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.948 112.6 44.6 -64.5 -48.2 14.6 -6.0 16.5 58 57 A M H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.951 111.0 53.5 -51.3 -56.9 15.6 -2.3 16.8 59 58 A E H < S+ 0 0 133 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.853 111.1 50.6 -49.2 -39.4 19.4 -3.3 16.8 60 59 A T H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.930 117.2 33.6 -68.3 -48.1 18.7 -5.1 13.6 61 60 A L H < S+ 0 0 6 -4,-2.2 2,-1.4 -3,-0.1 -2,-0.2 0.698 93.2 97.0 -85.9 -14.7 16.9 -2.4 11.7 62 61 A D < + 0 0 26 -4,-2.3 3,-0.4 -5,-0.2 -1,-0.1 -0.544 40.3 164.4 -83.4 93.7 18.8 0.7 13.1 63 62 A N S S+ 0 0 129 -2,-1.4 -1,-0.2 1,-0.2 6,-0.1 0.731 74.1 45.7 -84.1 -25.9 21.4 1.4 10.5 64 63 A D S S- 0 0 88 4,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.361 102.5-129.1 -99.2 2.6 22.4 4.9 11.6 65 64 A G + 0 0 58 -3,-0.4 -2,-0.1 1,-0.1 -3,-0.1 0.628 68.3 128.4 64.1 19.3 22.6 3.9 15.3 66 65 A D S S- 0 0 68 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.327 81.0-113.4 -83.5 11.2 20.4 6.7 16.8 67 66 A G S S+ 0 0 37 1,-0.2 -37,-0.4 -5,-0.1 2,-0.3 0.650 87.3 92.2 67.4 14.3 18.4 3.9 18.6 68 67 A E S S- 0 0 31 -39,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.886 75.2-121.3-134.4 163.5 15.3 4.7 16.5 69 68 A C B -A 28 0A 0 -41,-2.6 -41,-3.2 -2,-0.3 -7,-0.1 -0.920 30.3-167.3-105.7 116.5 13.8 3.5 13.3 70 69 A D > - 0 0 35 -2,-0.6 4,-2.5 -43,-0.2 5,-0.2 -0.237 41.8 -86.6 -92.0-177.9 13.3 6.3 10.7 71 70 A F H > S+ 0 0 14 -45,-0.5 4,-2.8 2,-0.2 5,-0.2 0.941 127.7 49.2 -55.4 -43.0 11.2 6.0 7.5 72 71 A Q H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 113.0 47.8 -67.8 -35.7 14.1 4.6 5.4 73 72 A E H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 109.3 53.5 -68.6 -35.3 14.8 2.0 8.1 74 73 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.928 104.9 54.9 -62.4 -42.9 11.1 1.2 8.3 75 74 A M H X S+ 0 0 7 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.925 107.9 49.0 -54.4 -49.2 11.0 0.6 4.5 76 75 A A H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.912 109.6 53.2 -57.6 -42.1 13.9 -1.9 4.9 77 76 A F H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 108.6 48.0 -51.1 -52.9 11.9 -3.5 7.7 78 77 A V H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.932 111.1 53.2 -57.8 -43.0 8.8 -3.9 5.5 79 78 A A H X S+ 0 0 23 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.872 110.0 46.9 -60.2 -40.9 11.0 -5.3 2.7 80 79 A M H X S+ 0 0 90 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.944 115.3 44.6 -70.4 -39.5 12.5 -8.0 5.1 81 80 A V H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 116.0 46.8 -66.8 -47.4 9.1 -9.0 6.5 82 81 A T H X S+ 0 0 0 -4,-3.0 4,-3.3 2,-0.2 -2,-0.2 0.910 113.3 49.4 -58.9 -42.2 7.5 -9.1 3.0 83 82 A T H X S+ 0 0 31 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.885 110.3 50.2 -66.1 -35.8 10.5 -11.0 1.6 84 83 A A H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.884 112.7 47.0 -68.9 -43.1 10.4 -13.5 4.4 85 84 A C H X S+ 0 0 27 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.963 110.4 53.0 -63.7 -51.8 6.7 -14.0 3.8 86 85 A H H >< S+ 0 0 7 -4,-3.3 3,-0.8 1,-0.2 4,-0.5 0.934 116.1 38.9 -44.0 -57.7 7.2 -14.3 0.0 87 86 A E H >< S+ 0 0 114 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.860 102.8 68.4 -66.9 -36.7 9.8 -17.1 0.5 88 87 A F H 3< S+ 0 0 175 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.805 104.7 47.4 -53.8 -29.3 8.1 -18.9 3.4 89 88 A F T << S+ 0 0 150 -4,-1.2 2,-0.3 -3,-0.8 -1,-0.3 0.581 93.6 122.8 -93.7 -6.9 5.4 -19.8 0.8 90 89 A E < + 0 0 83 -3,-1.6 2,-0.1 -4,-0.5 0, 0.0 -0.855 52.8 29.2-114.8 144.3 7.6 -21.1 -2.0 91 90 A H 0 0 154 -2,-0.3 -1,-0.1 0, 0.0 -4,-0.0 0.601 360.0 360.0 -94.9 162.8 7.9 -23.6 -3.5 92 91 A E 0 0 229 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.569 360.0 360.0 2.6 360.0 4.5 -25.4 -3.7 93 !* 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 94 0 B M 0 0 134 0, 0.0 -53,-0.1 0, 0.0 -54,-0.1 0.000 360.0 360.0 360.0 121.6 -5.6 -8.4 8.3 95 1 B S > - 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0 0 52 -2,-0.5 4,-3.1 39,-0.2 5,-0.3 -0.472 42.3 -87.7 -87.5 176.2 11.3 -8.4 -17.9 123 29 B K H > S+ 0 0 80 37,-0.3 4,-2.8 1,-0.2 5,-0.2 0.893 128.7 48.2 -53.5 -44.6 11.2 -4.9 -19.4 124 30 B S H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 113.7 47.0 -66.6 -37.7 7.8 -5.3 -20.9 125 31 B E H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 112.9 49.2 -68.1 -44.5 6.3 -6.6 -17.7 126 32 B L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.914 110.0 53.0 -55.6 -44.5 8.0 -3.8 -15.7 127 33 B K H X S+ 0 0 59 -4,-2.8 4,-2.9 -5,-0.3 14,-0.3 0.938 111.6 43.7 -60.3 -49.4 6.6 -1.2 -18.2 128 34 B E H X S+ 0 0 74 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.859 109.4 57.5 -67.8 -37.4 3.1 -2.4 -17.9 129 35 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.5 0.953 113.0 40.0 -52.6 -52.8 3.3 -2.7 -14.1 130 36 B I H X S+ 0 0 4 -4,-2.3 4,-1.7 3,-0.2 8,-0.2 0.943 117.7 49.1 -65.7 -43.7 4.3 1.1 -13.8 131 37 B N H < S+ 0 0 21 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.872 123.3 28.9 -65.7 -36.0 1.8 2.2 -16.5 132 38 B N H < S+ 0 0 76 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.792 131.8 30.7 -94.8 -33.6 -1.2 0.3 -15.1 133 39 B E H < S+ 0 0 37 -4,-2.5 -128,-0.5 -5,-0.4 -131,-0.2 0.540 124.3 40.0-107.8 -15.9 -0.4 0.2 -11.4 134 40 B L S >X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.5 3,-1.1 0.031 72.3 127.0-119.2 34.6 1.5 3.4 -10.7 135 41 B S T 34 S+ 0 0 66 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.724 78.1 43.0 -64.0 -20.5 -0.5 5.6 -13.0 136 42 B H T 34 S+ 0 0 126 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.603 120.1 39.7-101.8 -15.5 -1.0 8.2 -10.2 137 43 B F T <4 S+ 0 0 55 -3,-1.1 2,-0.4 1,-0.2 -2,-0.2 0.701 117.2 37.1-103.2 -29.6 2.5 8.2 -8.8 138 44 B L S < S- 0 0 56 -4,-2.7 -1,-0.2 -8,-0.2 3,-0.1 -0.965 85.8-100.9-129.5 148.8 4.7 8.0 -11.9 139 45 B E - 0 0 181 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.259 52.5 -95.4 -62.1 138.6 4.6 9.5 -15.4 140 46 B E - 0 0 114 -5,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.328 36.4-122.5 -57.0 138.7 3.4 7.0 -18.0 141 47 B I + 0 0 7 -14,-0.3 -1,-0.1 1,-0.1 -10,-0.1 -0.816 47.4 150.5 -87.5 117.3 6.2 5.2 -19.8 142 48 B K + 0 0 150 -2,-0.7 2,-0.4 1,-0.0 -1,-0.1 0.343 51.9 71.6-121.3 -2.1 6.0 5.8 -23.6 143 49 B E >> - 0 0 114 1,-0.1 4,-1.5 0, 0.0 3,-0.8 -0.948 69.1-137.5-130.0 139.5 9.7 5.5 -24.6 144 50 B Q H 3> S+ 0 0 119 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.858 104.8 60.0 -62.4 -32.9 12.1 2.6 -24.9 145 51 B E H 3> S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.808 104.3 51.4 -65.8 -26.3 14.9 4.7 -23.3 146 52 B V H <> S+ 0 0 44 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.892 110.3 45.0 -77.1 -44.6 12.8 5.2 -20.2 147 53 B V H X S+ 0 0 5 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.944 113.9 51.9 -66.9 -39.7 12.0 1.5 -19.6 148 54 B D H X S+ 0 0 57 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.889 111.6 46.0 -55.9 -49.6 15.7 0.7 -20.3 149 55 B K H X S+ 0 0 105 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.914 111.8 51.3 -63.6 -41.2 16.8 3.2 -17.8 150 56 B V H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.939 112.9 45.0 -62.1 -48.2 14.3 2.1 -15.2 151 57 B M H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.932 113.3 50.0 -63.6 -43.2 15.4 -1.5 -15.5 152 58 B E H < S+ 0 0 156 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.891 110.9 51.6 -57.2 -43.0 19.1 -0.7 -15.5 153 59 B T H < S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 118.1 34.4 -62.9 -47.0 18.5 1.4 -12.4 154 60 B L H < S+ 0 0 10 -4,-2.5 2,-1.7 -5,-0.1 -2,-0.2 0.625 92.5 92.5 -89.0 -10.1 16.7 -1.3 -10.4 155 61 B D < + 0 0 23 -4,-2.2 5,-0.1 -5,-0.2 -1,-0.1 -0.464 46.3 168.5 -80.1 77.8 18.6 -4.4 -11.7 156 62 B N S S+ 0 0 146 -2,-1.7 -1,-0.2 1,-0.2 6,-0.1 0.761 74.8 43.6 -71.3 -21.5 21.2 -4.5 -9.0 157 63 B D S S- 0 0 99 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.948 104.6-126.1 -85.0 -51.7 22.5 -8.0 -9.9 158 64 B G + 0 0 56 3,-0.3 -2,-0.1 0, 0.0 4,-0.1 0.651 66.1 129.3 120.7 26.5 22.5 -7.5 -13.7 159 65 B D S S- 0 0 79 2,-0.3 3,-0.1 1,-0.0 -3,-0.1 0.382 80.0-111.6 -90.8 6.1 20.4 -10.4 -15.2 160 66 B G S S+ 0 0 37 1,-0.3 -37,-0.3 -5,-0.1 2,-0.3 0.420 89.6 88.1 76.5 2.5 18.4 -7.9 -17.2 161 67 B E S S- 0 0 34 -39,-0.1 2,-0.6 -9,-0.0 -2,-0.3 -0.840 76.1-120.3-127.5 171.1 15.4 -8.6 -15.1 162 68 B C B -B 121 0B 0 -41,-2.6 -41,-3.1 -2,-0.3 -7,-0.1 -0.915 30.0-168.0-113.0 116.4 13.8 -7.5 -11.8 163 69 B D > - 0 0 24 -2,-0.6 4,-2.4 -43,-0.2 5,-0.2 -0.148 43.4 -87.2 -93.3-178.8 13.4 -10.2 -9.2 164 70 B F H > S+ 0 0 9 -45,-0.4 4,-2.5 2,-0.2 5,-0.2 0.952 127.7 50.2 -60.4 -46.4 11.2 -9.9 -6.0 165 71 B Q H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 112.8 46.9 -51.0 -48.7 14.2 -8.2 -3.9 166 72 B E H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 110.4 53.1 -61.0 -41.4 14.8 -5.7 -6.7 167 73 B F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.937 104.2 55.6 -61.4 -41.7 11.1 -5.0 -6.9 168 74 B M H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 106.7 50.5 -60.8 -40.7 11.0 -4.3 -3.1 169 75 B A H X S+ 0 0 61 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.883 108.9 51.9 -66.3 -31.1 13.7 -1.7 -3.5 170 76 B F H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.929 108.4 50.0 -64.5 -40.0 11.7 -0.1 -6.3 171 77 B V H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.931 110.0 52.6 -66.1 -42.2 8.5 0.0 -4.1 172 78 B A H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.883 110.5 47.2 -59.8 -41.7 10.7 1.6 -1.3 173 79 B M H X S+ 0 0 101 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.936 115.4 43.6 -64.3 -45.3 11.9 4.3 -3.8 174 80 B V H X S+ 0 0 7 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.917 114.1 51.4 -66.9 -44.9 8.4 5.1 -5.1 175 81 B T H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.921 109.5 50.7 -58.3 -41.9 7.0 5.0 -1.5 176 82 B T H X S+ 0 0 23 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.876 108.7 50.1 -63.1 -41.7 9.6 7.4 -0.3 177 83 B A H X S+ 0 0 55 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.892 110.5 50.2 -67.4 -35.2 8.9 9.9 -3.1 178 84 B C H X S+ 0 0 16 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.944 109.8 53.0 -65.7 -42.9 5.2 9.8 -2.4 179 85 B H H < S+ 0 0 15 -4,-2.4 4,-0.2 1,-0.2 3,-0.2 0.937 112.7 41.7 -57.5 -48.5 6.0 10.5 1.2 180 86 B E H >< S+ 0 0 120 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.844 105.5 64.8 -66.8 -35.2 8.1 13.5 0.5 181 87 B F H 3< S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.918 106.1 43.9 -56.7 -40.2 5.7 14.8 -2.1 182 88 B F T 3< S+ 0 0 158 -4,-1.6 2,-0.3 -3,-0.2 -1,-0.3 0.384 104.7 79.4 -94.7 12.6 3.0 15.3 0.5 183 89 B E < 0 0 74 -3,-1.4 0, 0.0 -4,-0.2 0, 0.0 -0.823 360.0 360.0-120.9 154.0 5.4 16.9 3.1 184 90 B H 0 0 236 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.182 360.0 360.0 64.7 360.0 6.7 20.4 3.2