==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-AUG-08 2K7O . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR N.T.WRIGHT,K.G.INMAN,J.A.LEVINE,D.J.WEBER . 182 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 64.8 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 . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 2 0 0 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 . 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 1 A S > 0 0 83 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 157.1 67.9 11.7 -10.7 2 2 A E H > + 0 0 154 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.858 360.0 55.1 -66.7 -30.4 67.0 8.0 -11.1 3 3 A L H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.859 98.2 62.4 -70.7 -32.2 69.0 7.3 -7.9 4 4 A E H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.932 105.3 46.3 -60.4 -40.9 67.0 9.8 -6.0 5 5 A K H X S+ 0 0 161 -4,-1.2 4,-3.4 2,-0.2 5,-0.2 0.923 111.4 52.4 -67.6 -40.2 63.8 7.7 -6.6 6 6 A A H X S+ 0 0 10 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.955 115.1 40.5 -60.6 -48.3 65.7 4.6 -5.6 7 7 A M H X S+ 0 0 42 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.971 119.5 45.0 -64.8 -52.5 66.8 6.1 -2.3 8 8 A V H X S+ 0 0 37 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 0.905 109.6 56.7 -59.7 -40.0 63.5 7.8 -1.7 9 9 A A H X S+ 0 0 29 -4,-3.4 4,-2.4 -5,-0.3 5,-0.2 0.932 105.5 51.7 -59.6 -43.3 61.6 4.6 -2.6 10 10 A L H X S+ 0 0 36 -4,-1.9 4,-3.1 -5,-0.2 5,-0.2 0.952 110.6 46.2 -60.6 -49.4 63.5 2.6 0.1 11 11 A I H X S+ 0 0 30 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.960 113.5 48.9 -59.9 -49.3 62.7 5.1 2.9 12 12 A D H X S+ 0 0 55 -4,-2.3 4,-1.6 1,-0.2 5,-0.3 0.920 115.5 44.7 -58.8 -41.0 59.0 5.3 1.9 13 13 A V H X S+ 0 0 34 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.915 115.4 47.8 -70.5 -41.4 58.8 1.5 1.7 14 14 A F H X S+ 0 0 5 -4,-3.1 4,-4.9 -5,-0.2 5,-0.4 0.984 114.6 42.1 -65.1 -58.5 60.7 1.0 5.0 15 15 A H H X S+ 0 0 53 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.922 119.1 45.3 -59.5 -40.5 58.8 3.5 7.2 16 16 A Q H < S+ 0 0 126 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.932 120.8 40.8 -68.3 -39.8 55.4 2.4 5.8 17 17 A Y H >< S+ 0 0 27 -4,-2.2 3,-1.2 -5,-0.3 4,-0.3 0.906 113.9 51.4 -73.2 -41.0 56.5 -1.3 6.2 18 18 A S H 3< S+ 0 0 0 -4,-4.9 3,-0.4 1,-0.3 8,-0.2 0.742 101.5 65.1 -69.5 -18.7 58.1 -0.7 9.6 19 19 A G T 3< S+ 0 0 27 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.1 0.140 75.8 93.8 -89.4 23.0 54.9 0.9 10.7 20 20 A R S < S- 0 0 170 -3,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.933 99.3 -8.7 -80.3 -47.2 52.9 -2.3 10.4 21 21 A E S S+ 0 0 151 -3,-0.4 -1,-0.3 -4,-0.3 7,-0.2 -0.998 111.9 12.9-150.9 147.3 53.3 -3.6 14.0 22 22 A G S S- 0 0 56 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.319 107.8 -22.2 81.8-169.8 55.2 -2.5 17.1 23 23 A D S S- 0 0 111 1,-0.1 3,-0.5 2,-0.1 -2,-0.1 -0.438 78.5-101.4 -73.4 147.9 57.1 0.8 17.4 24 24 A K S S+ 0 0 140 1,-0.2 -5,-0.1 -5,-0.1 -1,-0.1 -0.451 106.6 29.1 -70.1 140.0 58.0 2.5 14.2 25 25 A H S S+ 0 0 93 -11,-0.2 2,-0.3 1,-0.2 45,-0.3 0.882 98.6 103.3 78.3 39.1 61.7 2.1 13.2 26 26 A K - 0 0 64 -3,-0.5 2,-0.7 -8,-0.2 -1,-0.2 -0.832 54.3-159.1-152.9 109.5 62.0 -1.3 14.9 27 27 A L B -A 68 0A 0 41,-1.0 41,-2.1 -2,-0.3 2,-0.1 -0.809 12.7-160.5 -97.2 116.4 62.0 -4.7 13.0 28 28 A K > - 0 0 127 -2,-0.7 4,-3.7 -7,-0.2 5,-0.2 -0.481 32.7-108.2 -87.2 161.0 61.1 -7.6 15.2 29 29 A K H > S+ 0 0 75 37,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 124.6 48.8 -57.5 -41.1 62.0 -11.3 14.2 30 30 A S H > S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 114.3 45.8 -64.2 -39.7 58.3 -11.9 13.5 31 31 A E H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.895 110.0 54.9 -69.7 -37.2 58.2 -8.7 11.4 32 32 A L H X S+ 0 0 3 -4,-3.7 4,-2.4 1,-0.2 5,-0.3 0.927 104.6 53.4 -63.0 -42.2 61.5 -9.7 9.7 33 33 A K H X S+ 0 0 93 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.930 109.2 49.0 -60.8 -41.5 59.9 -13.0 8.7 34 34 A E H X S+ 0 0 94 -4,-1.6 4,-2.7 2,-0.2 5,-0.4 0.933 110.1 51.2 -64.2 -44.4 57.0 -11.1 7.1 35 35 A L H X>S+ 0 0 6 -4,-2.3 4,-3.7 2,-0.2 5,-0.7 0.956 111.2 46.5 -59.9 -48.8 59.3 -8.7 5.2 36 36 A I H <5S+ 0 0 14 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.951 114.2 48.2 -60.6 -46.9 61.4 -11.5 3.7 37 37 A N H <5S+ 0 0 106 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.925 123.3 32.6 -61.2 -43.4 58.3 -13.5 2.7 38 38 A N H <5S+ 0 0 87 -4,-2.7 3,-0.2 -5,-0.2 -2,-0.2 0.921 135.8 20.9 -81.3 -46.8 56.6 -10.4 1.1 39 39 A E T ><5S+ 0 0 45 -4,-3.7 2,-1.4 -5,-0.4 3,-0.6 0.931 128.1 34.5 -88.0 -75.0 59.7 -8.5 -0.2 40 40 A L T 3 > S- 0 0 105 1,-0.1 4,-1.2 0, 0.0 3,-0.7 -0.974 78.6-123.5-136.1 150.7 60.8 -23.4 10.4 50 50 A Q H 3> S+ 0 0 136 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 0.904 110.6 62.9 -59.9 -39.6 61.3 -20.6 13.0 51 51 A E H 3> S+ 0 0 104 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.875 98.9 55.2 -57.1 -32.6 64.6 -22.1 14.1 52 52 A V H <> S+ 0 0 44 -3,-0.7 4,-1.9 1,-0.2 -1,-0.3 0.910 110.8 45.5 -67.4 -35.7 65.9 -21.5 10.6 53 53 A V H X S+ 0 0 10 -4,-1.2 4,-4.1 -3,-0.4 5,-0.3 0.906 108.2 56.8 -71.9 -40.5 65.0 -17.8 11.1 54 54 A D H X S+ 0 0 39 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.919 109.5 45.4 -60.0 -40.9 66.5 -17.7 14.6 55 55 A K H X S+ 0 0 147 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.976 119.2 40.8 -67.0 -51.0 69.9 -18.8 13.3 56 56 A V H X S+ 0 0 73 -4,-1.9 4,-3.3 -5,-0.2 -2,-0.2 0.919 115.8 51.1 -63.3 -43.3 69.7 -16.3 10.4 57 57 A M H X S+ 0 0 2 -4,-4.1 4,-2.8 2,-0.2 -1,-0.2 0.964 111.8 45.8 -61.6 -49.4 68.2 -13.5 12.5 58 58 A E H < S+ 0 0 113 -4,-2.3 -1,-0.2 -5,-0.3 6,-0.2 0.935 116.3 46.4 -60.6 -40.7 70.9 -13.9 15.2 59 59 A T H < S+ 0 0 115 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.917 110.5 53.8 -67.0 -40.1 73.6 -14.0 12.5 60 60 A L H < S+ 0 0 19 -4,-3.3 2,-1.0 -5,-0.2 -2,-0.2 0.946 90.4 82.9 -59.7 -46.8 71.9 -11.0 10.8 61 61 A D < - 0 0 7 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.1 -0.404 62.2-171.4 -62.5 100.0 72.1 -9.0 14.0 62 62 A E S S+ 0 0 151 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.905 89.8 34.0 -60.5 -39.9 75.7 -7.7 13.9 63 63 A D S S- 0 0 96 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.489 107.2-122.9 -95.7 -1.6 75.3 -6.3 17.4 64 64 A G + 0 0 43 -3,-0.3 -2,-0.1 -6,-0.2 4,-0.1 0.810 59.5 149.9 68.2 23.9 73.0 -9.1 18.7 65 65 A D - 0 0 56 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.649 60.9-124.9 -66.3 -8.2 70.4 -6.5 19.7 66 66 A G S S+ 0 0 30 1,-0.3 -37,-0.2 -9,-0.1 2,-0.2 0.150 86.9 67.2 85.5 -22.2 67.9 -9.2 18.9 67 67 A E S S- 0 0 62 -39,-0.1 2,-0.7 -38,-0.1 -1,-0.3 -0.681 89.0-109.3-121.3 175.9 66.1 -6.8 16.5 68 68 A C B -A 27 0A 1 -41,-2.1 -41,-1.0 -2,-0.2 -7,-0.0 -0.884 34.3-154.9-113.4 103.5 67.2 -5.4 13.1 69 69 A D > - 0 0 61 -2,-0.7 4,-3.0 -43,-0.1 5,-0.2 -0.162 30.7-103.9 -69.2 169.0 67.8 -1.6 13.3 70 70 A F H > S+ 0 0 22 -45,-0.3 4,-1.8 2,-0.2 5,-0.2 0.924 121.4 51.8 -61.0 -43.7 67.6 0.8 10.4 71 71 A Q H >> S+ 0 0 115 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.985 115.6 38.8 -59.9 -56.9 71.4 0.9 10.1 72 72 A E H >> S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.925 107.4 66.2 -59.9 -41.0 71.8 -2.9 9.9 73 73 A F H 3X S+ 0 0 19 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.914 100.1 50.9 -48.8 -40.8 68.6 -3.1 7.8 74 74 A M H X S+ 0 0 16 -4,-3.1 4,-3.3 1,-0.2 3,-1.6 0.932 106.7 61.8 -66.6 -43.5 73.3 -4.5 0.8 79 79 A M H 3X S+ 0 0 99 -4,-4.5 4,-3.2 1,-0.3 5,-0.3 0.923 99.7 55.3 -50.8 -40.5 74.0 -8.1 1.6 80 80 A V H 3X S+ 0 0 37 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.3 0.851 114.0 42.6 -61.6 -26.7 71.3 -9.0 -0.9 81 81 A T H << S+ 0 0 8 -3,-1.6 -2,-0.3 -4,-0.8 -1,-0.2 0.931 119.8 39.3 -82.6 -50.9 73.5 -6.9 -3.3 82 82 A T H < S+ 0 0 46 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.735 113.4 59.0 -72.5 -19.6 76.9 -8.3 -2.2 83 83 A A H < S+ 0 0 59 -4,-3.2 2,-0.4 -5,-0.5 -1,-0.2 0.950 97.5 63.4 -74.8 -47.5 75.4 -11.8 -1.9 84 84 A C S < S- 0 0 84 -4,-1.0 2,-0.1 -5,-0.3 3,-0.0 -0.617 84.9-136.5 -78.9 130.2 74.3 -12.0 -5.5 85 85 A H - 0 0 174 -2,-0.4 2,-0.6 1,-0.1 -2,-0.1 -0.408 37.5 -83.0 -80.6 162.4 77.2 -11.9 -8.0 86 86 A E + 0 0 51 1,-0.2 3,-0.3 -2,-0.1 -1,-0.1 -0.517 48.8 172.9 -68.7 114.6 76.9 -9.7 -11.1 87 87 A F > + 0 0 166 -2,-0.6 3,-0.8 1,-0.2 -1,-0.2 0.419 65.3 80.9-100.8 -0.5 75.0 -11.9 -13.6 88 88 A F T 3 S+ 0 0 134 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.341 70.5 82.5 -87.3 9.7 74.7 -9.0 -16.2 89 89 A E T 3 S+ 0 0 137 -3,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.574 78.8 79.3 -88.4 -7.7 78.3 -9.7 -17.4 90 90 A H < 0 0 135 -3,-0.8 -3,-0.0 1,-0.1 0, 0.0 -0.787 360.0 360.0-100.8 142.9 77.0 -12.5 -19.6 91 91 A E 0 0 242 -2,-0.4 -2,-0.1 0, 0.0 -1,-0.1 -0.367 360.0 360.0 -53.7 360.0 75.4 -11.8 -23.0 92 !* 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 93 1 B S > 0 0 85 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 156.6 59.2 -5.7 -7.5 94 2 B E H > + 0 0 157 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.864 360.0 55.0 -66.9 -30.6 59.9 -1.9 -7.3 95 3 B L H > S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.858 98.3 62.6 -70.4 -32.2 62.8 -2.7 -5.0 96 4 B E H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.934 105.2 46.2 -60.0 -41.5 64.3 -5.1 -7.6 97 5 B K H X S+ 0 0 160 -4,-1.2 4,-3.5 2,-0.2 5,-0.2 0.925 111.5 52.3 -67.3 -40.0 64.7 -2.1 -10.0 98 6 B A H X S+ 0 0 9 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.958 115.0 40.9 -60.4 -49.1 66.2 0.0 -7.3 99 7 B M H X S+ 0 0 41 -4,-3.0 4,-1.9 2,-0.2 5,-0.2 0.974 119.6 44.4 -63.3 -53.2 68.8 -2.6 -6.4 100 8 B V H X S+ 0 0 38 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 0.903 109.7 56.9 -60.0 -40.3 69.4 -3.5 -10.0 101 9 B A H X S+ 0 0 26 -4,-3.5 4,-2.4 -5,-0.3 5,-0.2 0.932 105.6 51.4 -59.2 -43.3 69.6 0.2 -11.0 102 10 B L H X S+ 0 0 35 -4,-1.9 4,-3.2 -5,-0.2 5,-0.2 0.955 110.9 45.8 -60.8 -49.4 72.4 0.8 -8.5 103 11 B I H X S+ 0 0 31 -4,-1.9 4,-2.6 2,-0.2 5,-0.5 0.958 113.8 48.8 -60.3 -48.9 74.6 -2.0 -9.7 104 12 B D H X S+ 0 0 57 -4,-2.3 4,-1.5 1,-0.2 5,-0.3 0.918 115.7 44.8 -59.2 -40.2 74.1 -1.1 -13.4 105 13 B V H X S+ 0 0 34 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.920 115.5 47.4 -70.6 -42.3 74.9 2.6 -12.5 106 14 B F H X S+ 0 0 6 -4,-3.2 4,-4.8 -5,-0.2 5,-0.4 0.984 114.6 42.4 -65.0 -57.9 77.9 1.6 -10.3 107 15 B H H X S+ 0 0 53 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.922 118.9 45.7 -59.9 -40.1 79.7 -0.8 -12.7 108 16 B Q H < S+ 0 0 127 -4,-1.5 -1,-0.2 -5,-0.5 -2,-0.2 0.928 120.5 40.6 -68.3 -39.4 79.0 1.4 -15.7 109 17 B Y H >< S+ 0 0 29 -4,-2.2 3,-1.3 -5,-0.3 4,-0.3 0.904 114.0 51.4 -74.1 -40.8 80.2 4.4 -13.7 110 18 B S H 3< S+ 0 0 0 -4,-4.8 3,-0.4 1,-0.3 8,-0.3 0.732 101.6 65.1 -69.7 -17.6 83.1 2.6 -12.0 111 19 B G T 3< S+ 0 0 27 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.1 0.154 76.0 93.4 -89.9 21.8 84.2 1.5 -15.5 112 20 B R S < S- 0 0 169 -3,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.932 99.6 -8.6 -79.8 -47.0 85.0 5.1 -16.5 113 21 B E S S+ 0 0 148 -3,-0.4 -1,-0.3 -4,-0.3 7,-0.2 -0.998 112.0 13.1-150.9 146.9 88.7 5.2 -15.6 114 22 B G S S- 0 0 58 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.327 107.8 -22.3 82.4-170.0 91.2 2.9 -13.8 115 23 B D S S- 0 0 111 1,-0.1 3,-0.5 2,-0.1 -2,-0.1 -0.435 78.7-101.1 -73.3 148.3 90.4 -0.8 -12.9 116 24 B K S S+ 0 0 141 1,-0.2 -5,-0.1 -5,-0.1 -1,-0.1 -0.453 106.7 28.8 -70.6 140.0 86.7 -1.7 -12.7 117 25 B H S S+ 0 0 91 -11,-0.2 2,-0.3 1,-0.2 45,-0.3 0.886 98.4 103.7 78.5 39.8 85.4 -2.0 -9.2 118 26 B K - 0 0 63 -3,-0.5 2,-0.7 -8,-0.3 -1,-0.2 -0.830 54.2-159.1-153.4 109.8 87.8 0.6 -7.8 119 27 B L B -B 160 0B 0 41,-1.0 41,-2.1 -2,-0.3 2,-0.1 -0.807 12.5-160.6 -97.5 115.6 86.8 4.3 -7.0 120 28 B K > - 0 0 125 -2,-0.7 4,-3.7 -7,-0.2 5,-0.2 -0.480 32.6-108.7 -86.7 160.5 89.8 6.7 -6.9 121 29 B K H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.940 124.7 49.0 -57.2 -42.5 89.6 10.1 -5.1 122 30 B S H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 114.4 45.8 -62.3 -40.0 89.7 11.8 -8.5 123 31 B E H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 110.1 54.5 -69.5 -37.5 86.9 9.4 -9.6 124 32 B L H X S+ 0 0 5 -4,-3.7 4,-2.4 1,-0.2 5,-0.3 0.918 104.9 53.6 -63.1 -41.6 85.0 10.0 -6.3 125 33 B K H X S+ 0 0 94 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.934 109.1 49.0 -61.2 -42.3 85.1 13.7 -7.0 126 34 B E H X S+ 0 0 93 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.932 110.2 51.1 -63.2 -44.8 83.5 13.2 -10.4 127 35 B L H X>S+ 0 0 3 -4,-2.3 4,-3.7 2,-0.2 5,-0.7 0.952 111.1 47.0 -59.9 -48.8 80.8 10.9 -9.0 128 36 B I H <5S+ 0 0 15 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.946 113.8 48.2 -60.1 -46.4 79.8 13.4 -6.3 129 37 B N H <5S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.920 123.2 32.7 -62.1 -42.2 79.7 16.3 -8.8 130 38 B N H <5S+ 0 0 86 -4,-2.7 3,-0.2 -5,-0.2 -2,-0.2 0.916 135.7 20.7 -82.4 -46.2 77.6 14.3 -11.3 131 39 B E T ><5S+ 0 0 47 -4,-3.7 2,-1.4 -5,-0.3 3,-0.6 0.926 127.9 34.9 -88.6 -75.4 75.5 12.2 -9.0 132 40 B L T 3 > S- 0 0 103 1,-0.1 4,-1.2 0, 0.0 3,-0.7 -0.973 78.3-123.9-135.9 150.6 89.2 22.6 -3.1 142 50 B Q H 3> S+ 0 0 137 -2,-0.3 4,-3.0 1,-0.2 3,-0.4 0.903 110.6 62.8 -60.3 -39.6 90.9 19.2 -3.3 143 51 B E H 3> S+ 0 0 107 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.873 99.3 54.9 -57.1 -32.1 92.0 19.5 0.4 144 52 B V H <> S+ 0 0 44 -3,-0.7 4,-1.9 1,-0.2 -1,-0.3 0.914 110.8 45.6 -67.9 -36.4 88.2 19.5 1.3 145 53 B V H X S+ 0 0 9 -4,-1.2 4,-4.0 -3,-0.4 5,-0.3 0.911 108.4 56.5 -70.5 -41.7 87.9 16.3 -0.6 146 54 B D H X S+ 0 0 41 -4,-3.0 4,-2.3 2,-0.2 5,-0.3 0.917 109.4 45.8 -60.2 -40.1 91.1 14.8 1.0 147 55 B K H X S+ 0 0 150 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.978 118.9 40.9 -67.0 -51.6 89.6 15.3 4.5 148 56 B V H X S+ 0 0 71 -4,-1.9 4,-3.3 -5,-0.2 -2,-0.2 0.915 115.7 51.2 -62.7 -42.9 86.2 13.9 3.5 149 57 B M H X S+ 0 0 2 -4,-4.0 4,-2.9 2,-0.2 -1,-0.2 0.965 111.7 45.8 -62.1 -49.4 87.7 11.1 1.4 150 58 B E H < S+ 0 0 112 -4,-2.3 -1,-0.2 -5,-0.3 6,-0.2 0.935 116.4 46.6 -60.3 -40.9 90.1 9.9 4.3 151 59 B T H < S+ 0 0 116 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.918 110.5 53.8 -66.3 -40.0 87.1 10.2 6.7 152 60 B L H < S+ 0 0 19 -4,-3.3 2,-1.0 -5,-0.2 -2,-0.2 0.947 90.4 82.6 -60.0 -47.1 85.0 8.3 4.1 153 61 B D < - 0 0 7 -4,-2.9 3,-0.3 1,-0.2 -1,-0.1 -0.401 62.1-171.2 -62.3 100.0 87.5 5.4 3.9 154 62 B E S S+ 0 0 152 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.902 89.9 33.8 -60.5 -39.7 86.5 3.4 7.0 155 63 B D S S- 0 0 96 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.491 107.1-122.9 -96.0 -2.2 89.7 1.2 6.5 156 64 B G + 0 0 45 -3,-0.3 -2,-0.1 -6,-0.2 4,-0.1 0.805 59.4 150.1 68.7 23.3 91.9 4.0 5.2 157 65 B D - 0 0 54 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.655 60.7-125.0 -65.4 -8.9 92.5 1.9 2.0 158 66 B G S S+ 0 0 29 1,-0.2 -37,-0.2 -9,-0.1 2,-0.2 0.098 86.9 67.0 87.1 -25.4 92.9 5.3 0.3 159 67 B E S S- 0 0 62 -39,-0.1 2,-0.7 -38,-0.1 -1,-0.2 -0.700 89.4-109.3-119.6 172.6 90.1 4.3 -2.2 160 68 B C B -B 119 0B 1 -41,-2.1 -41,-1.0 -2,-0.2 -7,-0.0 -0.876 35.0-153.9-108.4 104.9 86.4 3.6 -1.8 161 69 B D > - 0 0 59 -2,-0.7 4,-3.0 -43,-0.1 5,-0.2 -0.173 30.3-103.7 -70.1 169.5 85.6 -0.1 -2.2 162 70 B F H > S+ 0 0 20 -45,-0.3 4,-1.7 2,-0.2 5,-0.2 0.922 121.5 51.7 -60.7 -43.6 82.2 -1.4 -3.4 163 71 B Q H >> S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 3,-0.7 0.986 115.5 38.8 -60.2 -57.0 81.3 -2.4 0.2 164 72 B E H >> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.923 107.1 66.7 -59.9 -40.6 82.1 1.0 1.7 165 73 B F H 3X S+ 0 0 16 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.907 100.0 50.8 -48.2 -40.2 80.6 2.6 -1.4 166 74 B M H X S+ 0 0 14 -4,-3.1 4,-3.3 1,-0.2 3,-1.7 0.935 106.9 61.6 -67.3 -43.9 73.5 4.7 3.0 171 79 B M H 3X S+ 0 0 99 -4,-4.5 4,-3.3 1,-0.3 5,-0.4 0.927 99.9 55.1 -50.3 -41.4 75.2 7.7 4.7 172 80 B V H 3X S+ 0 0 36 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.3 0.848 114.3 42.7 -60.9 -26.2 73.3 9.9 2.2 173 81 B T H << S+ 0 0 8 -3,-1.7 -2,-0.3 -4,-0.7 -1,-0.2 0.932 119.7 39.3 -83.0 -51.6 70.2 8.1 3.5 174 82 B T H < S+ 0 0 47 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.738 113.6 59.0 -71.8 -20.0 71.1 8.2 7.3 175 83 B A H < S+ 0 0 56 -4,-3.3 2,-0.4 -5,-0.5 -1,-0.2 0.950 97.3 63.9 -74.4 -47.7 72.5 11.7 6.9 176 84 B C S < S- 0 0 82 -4,-1.0 2,-0.1 -5,-0.4 3,-0.0 -0.616 84.7-136.9 -79.0 129.4 69.2 13.2 5.6 177 85 B H - 0 0 169 -2,-0.4 2,-0.6 1,-0.1 -2,-0.1 -0.407 37.4 -83.4 -80.1 161.3 66.4 13.1 8.2 178 86 B E + 0 0 54 1,-0.2 3,-0.3 -2,-0.1 -1,-0.1 -0.518 48.7 172.9 -68.5 114.6 62.9 12.0 7.1 179 87 B F > + 0 0 166 -2,-0.6 3,-0.9 1,-0.2 -1,-0.2 0.425 65.2 81.0-101.2 -0.6 61.3 15.2 5.7 180 88 B F T 3 S+ 0 0 136 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.348 70.6 82.4 -86.6 9.3 58.2 13.3 4.5 181 89 B E T 3 S+ 0 0 138 -3,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.566 78.9 79.4 -88.4 -7.2 56.8 13.4 8.0 182 90 B H < 0 0 133 -3,-0.9 -3,-0.0 1,-0.1 0, 0.0 -0.790 360.0 360.0-100.8 143.1 55.5 17.0 7.4 183 91 B E 0 0 245 -2,-0.4 -2,-0.1 0, 0.0 -1,-0.1 -0.381 360.0 360.0 -54.6 360.0 52.3 17.6 5.4