==== 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 METAL BINDING PROTEIN 10-MAR-09 2WCB . COMPND 2 MOLECULE: PROTEIN S100-A12; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.V.MOROZ,E.V.BLAGOVA,A.J.WILKINSON,K.S.WILSON, I.B.BRONSTEI . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 74.3 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 3.3 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.1 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 1 1 1 1 0 0 2 0 0 0 0 0 2 0 2 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 . 1 0 1 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 . 1 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 S 0 0 95 0, 0.0 2,-0.1 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0 -36.9 12.7 18.3 8.3 2 1 A T > - 0 0 27 131,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.495 360.0-107.2 -79.1 168.1 13.3 19.2 12.1 3 2 A K H > S+ 0 0 155 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.924 123.6 50.3 -61.1 -38.8 16.8 18.3 13.5 4 3 A L H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 109.3 51.1 -61.7 -52.9 15.2 15.5 15.5 5 4 A E H > S+ 0 0 3 128,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.856 105.6 57.0 -50.8 -38.9 13.4 14.2 12.3 6 5 A E H X S+ 0 0 103 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.860 105.4 50.5 -62.8 -36.8 16.8 14.3 10.5 7 6 A H H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.922 111.7 47.3 -68.5 -37.2 18.3 12.0 13.1 8 7 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.957 112.0 50.5 -67.1 -41.3 15.3 9.6 12.7 9 8 A E H X S+ 0 0 100 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.825 110.7 50.3 -58.1 -39.6 15.7 9.8 8.9 10 9 A G H X S+ 0 0 13 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.870 106.7 52.0 -72.9 -39.6 19.4 9.0 9.3 11 10 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 111.2 48.9 -66.0 -44.5 18.9 6.0 11.5 12 11 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.917 110.1 52.4 -59.8 -40.3 16.5 4.6 8.9 13 12 A N H X S+ 0 0 100 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.932 107.9 50.1 -60.8 -49.2 19.0 5.3 6.2 14 13 A I H X S+ 0 0 12 -4,-2.6 4,-0.6 2,-0.2 3,-0.4 0.938 109.6 50.8 -55.8 -49.8 21.7 3.4 8.0 15 14 A F H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-1.6 0.939 110.4 51.2 -50.0 -48.5 19.5 0.4 8.5 16 15 A H H 3X S+ 0 0 37 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.801 96.7 65.6 -62.0 -34.2 18.6 0.5 4.8 17 16 A Q H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.662 115.9 31.1 -63.2 -20.8 22.3 0.5 3.8 18 17 A Y H X< S+ 0 0 6 -3,-1.6 3,-0.9 -4,-0.6 4,-0.5 0.732 115.3 56.4-101.1 -41.5 22.5 -3.0 5.3 19 18 A S H 3< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.2 8,-0.4 0.867 105.2 52.9 -62.2 -33.5 19.0 -4.3 4.8 20 19 A V T 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.663 87.2 83.3 -74.9 -18.0 19.1 -3.8 0.9 21 20 A R S < S+ 0 0 132 -3,-0.9 2,-0.3 -5,-0.2 -1,-0.2 0.873 98.6 20.8 -59.6 -43.5 22.4 -5.6 0.4 22 21 A K S S- 0 0 147 -3,-0.5 5,-0.2 -4,-0.5 -1,-0.1 -0.945 111.4 -36.1-130.7 144.8 20.9 -9.2 0.2 23 22 A G S S+ 0 0 76 -2,-0.3 2,-0.1 2,-0.1 5,-0.0 -0.100 117.4 27.4 53.5-134.9 17.5 -10.8 -0.5 24 23 A H S > S- 0 0 149 1,-0.1 3,-1.1 2,-0.1 -2,-0.2 -0.376 76.5-138.6 -60.9 129.9 14.6 -8.9 0.8 25 24 A F T 3 S+ 0 0 121 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.671 95.6 51.0 -70.0 -15.1 15.5 -5.1 1.0 26 25 A D T 3 S+ 0 0 44 -6,-0.1 45,-0.6 -7,-0.1 2,-0.3 0.276 105.5 52.0-108.7 7.7 13.8 -4.5 4.4 27 26 A T E < -A 70 0A 29 -3,-1.1 2,-0.3 -8,-0.4 -5,-0.2 -0.907 61.4-161.2-131.3 163.9 15.2 -7.3 6.6 28 27 A L E -A 69 0A 0 41,-2.3 41,-3.5 -2,-0.3 2,-0.1 -0.968 27.1 -98.8-141.2 161.8 18.7 -8.4 7.3 29 28 A S E > -A 68 0A 22 -2,-0.3 4,-3.1 39,-0.2 5,-0.2 -0.468 31.7-116.2 -77.8 152.2 20.3 -11.6 8.7 30 29 A K H > S+ 0 0 11 37,-2.0 4,-2.1 34,-0.3 36,-0.2 0.875 120.8 54.2 -52.9 -38.7 21.3 -11.8 12.4 31 30 A G H > S+ 0 0 13 34,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.896 108.6 46.3 -63.1 -43.1 24.8 -12.2 11.0 32 31 A E H > S+ 0 0 17 33,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.910 110.9 53.6 -63.8 -43.5 24.5 -8.9 9.0 33 32 A L H X S+ 0 0 1 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.845 105.7 53.1 -58.9 -41.3 23.0 -7.2 12.0 34 33 A K H X S+ 0 0 71 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.887 108.9 50.1 -58.4 -41.6 26.0 -8.3 14.1 35 34 A Q H X S+ 0 0 107 -4,-1.7 4,-1.7 2,-0.2 5,-0.3 0.892 111.9 48.3 -61.4 -40.6 28.2 -6.7 11.4 36 35 A L H X S+ 0 0 0 -4,-2.0 4,-3.9 2,-0.2 5,-0.4 0.965 114.7 43.7 -65.0 -55.2 26.2 -3.5 11.6 37 36 A L H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.893 113.0 51.8 -57.9 -46.3 26.3 -3.3 15.4 38 37 A T H < S+ 0 0 67 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.839 122.7 30.2 -64.2 -34.3 30.0 -4.1 15.6 39 38 A K H >< S+ 0 0 132 -4,-1.7 3,-1.3 -5,-0.2 -2,-0.2 0.898 123.4 41.9 -89.7 -48.5 30.9 -1.4 13.1 40 39 A E H 3< S+ 0 0 18 -4,-3.9 58,-0.5 1,-0.3 55,-0.3 0.745 123.9 37.3 -81.4 -18.8 28.3 1.3 13.5 41 40 A L T 3X S+ 0 0 5 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.3 0.025 79.2 128.8-111.0 26.5 28.3 1.2 17.3 42 41 A A H <> S+ 0 0 38 -3,-1.3 4,-1.4 1,-0.2 -1,-0.1 0.836 78.7 33.3 -52.3 -44.2 32.0 0.6 17.6 43 42 A N H > S+ 0 0 65 2,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.862 112.6 59.9 -88.3 -32.8 32.7 3.4 20.1 44 43 A T H > S+ 0 0 19 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.928 106.4 50.9 -53.1 -42.8 29.5 3.2 21.9 45 44 A I H >< S+ 0 0 34 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.909 108.5 49.4 -65.4 -47.1 30.4 -0.4 22.7 46 45 A K H 3< S+ 0 0 167 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 110.0 51.6 -57.7 -45.9 33.9 0.5 24.1 47 46 A N H 3< S+ 0 0 76 -4,-2.5 2,-0.6 2,-0.0 -1,-0.2 0.653 86.0 100.3 -68.8 -17.3 32.4 3.2 26.4 48 47 A I << - 0 0 23 -4,-0.9 6,-0.0 -3,-0.7 37,-0.0 -0.635 50.7-174.1 -73.8 118.4 29.8 0.8 27.8 49 48 A K + 0 0 100 -2,-0.6 2,-0.8 1,-0.1 -1,-0.2 0.818 63.2 82.8 -78.6 -33.3 31.2 -0.3 31.2 50 49 A D >> - 0 0 92 1,-0.2 4,-1.5 2,-0.0 3,-0.7 -0.635 60.9-163.5 -83.6 107.0 28.4 -2.9 31.8 51 50 A K H 3> S+ 0 0 61 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.813 90.2 61.0 -53.4 -35.8 29.2 -6.2 30.0 52 51 A A H 3> S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 101.4 50.6 -61.2 -42.8 25.5 -7.2 30.4 53 52 A V H <> S+ 0 0 35 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.912 111.3 50.1 -59.6 -42.3 24.3 -4.2 28.3 54 53 A I H X S+ 0 0 43 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.877 110.0 49.3 -62.2 -40.1 26.8 -5.3 25.7 55 54 A D H X S+ 0 0 104 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.881 107.6 55.8 -67.7 -37.9 25.5 -8.9 25.8 56 55 A E H < S+ 0 0 105 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.891 105.1 51.5 -58.8 -44.0 21.9 -7.5 25.4 57 56 A I H < S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 120.0 35.6 -59.6 -38.5 22.9 -5.7 22.2 58 57 A F H >< S+ 0 0 48 -4,-1.3 3,-1.9 -5,-0.1 4,-0.4 0.409 87.8 141.2 -97.1 1.3 24.3 -8.9 20.8 59 58 A Q T 3< S- 0 0 144 -4,-0.8 -3,-0.1 -3,-0.4 -4,-0.0 -0.096 74.1 -0.1 -48.5 135.0 21.7 -11.2 22.4 60 59 A G T 3 S+ 0 0 31 1,-0.1 -1,-0.2 2,-0.0 3,-0.2 0.287 97.0 115.0 76.3 -6.4 20.6 -14.1 20.1 61 60 A L S < S+ 0 0 6 -3,-1.9 -27,-0.1 1,-0.2 -2,-0.1 0.809 70.9 47.8 -77.3 -32.8 22.8 -13.2 17.2 62 61 A D S S+ 0 0 106 -4,-0.4 2,-0.5 2,-0.0 3,-0.5 0.760 103.3 66.7 -79.6 -25.8 25.2 -16.2 17.0 63 62 A A S S+ 0 0 62 1,-0.3 4,-0.0 -3,-0.2 -33,-0.0 -0.850 115.1 12.7 -94.0 130.1 22.5 -18.8 17.2 64 63 A N S > S+ 0 0 105 -2,-0.5 3,-1.1 2,-0.1 -34,-0.3 0.968 78.3 174.7 68.3 54.4 20.3 -18.8 14.1 65 64 A Q T 3 S+ 0 0 91 -3,-0.5 -34,-2.3 1,-0.3 -33,-0.3 0.737 73.5 50.3 -72.2 -21.3 22.7 -16.6 12.2 66 65 A D T 3 S+ 0 0 86 -36,-0.2 -1,-0.3 -37,-0.2 -2,-0.1 0.487 82.6 118.6 -97.0 -1.7 20.7 -16.7 9.0 67 66 A E S < S- 0 0 101 -3,-1.1 -37,-2.0 -6,-0.1 2,-0.2 -0.361 70.1-113.3 -60.9 140.2 17.4 -15.8 10.6 68 67 A Q E -A 29 0A 95 -39,-0.2 2,-0.4 -38,-0.1 -39,-0.2 -0.589 27.0-162.5 -84.5 141.1 15.9 -12.6 9.3 69 68 A V E -A 28 0A 1 -41,-3.5 -41,-2.3 -2,-0.2 2,-0.1 -0.971 9.4-153.6-122.2 132.7 15.7 -9.4 11.5 70 69 A D E > -A 27 0A 80 -2,-0.4 4,-1.9 -43,-0.2 3,-0.5 -0.424 35.2 -89.2-103.8-179.9 13.4 -6.5 10.6 71 70 A F H > S+ 0 0 8 -45,-0.6 4,-2.8 1,-0.2 5,-0.2 0.894 121.8 59.4 -56.1 -43.9 13.3 -2.8 11.4 72 71 A Q H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 104.8 48.1 -54.6 -42.2 11.3 -3.3 14.6 73 72 A E H > S+ 0 0 85 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.918 110.8 53.4 -65.2 -37.5 14.0 -5.6 16.1 74 73 A F H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.906 101.6 58.4 -62.9 -40.1 16.5 -2.9 15.0 75 74 A I H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.915 102.7 55.2 -50.7 -45.2 14.4 -0.2 16.9 76 75 A S H X S+ 0 0 71 -4,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.882 109.2 45.8 -61.6 -38.4 14.9 -2.3 20.2 77 76 A L H X S+ 0 0 21 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.3 0.894 109.2 54.9 -73.7 -36.6 18.6 -2.2 19.7 78 77 A V H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 107.1 51.7 -60.2 -43.1 18.5 1.5 18.9 79 78 A A H X S+ 0 0 24 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.910 110.1 47.7 -58.5 -44.6 16.7 2.1 22.2 80 79 A I H X S+ 0 0 31 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.943 114.2 47.9 -61.5 -46.9 19.3 0.1 24.2 81 80 A A H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.875 108.4 54.0 -64.1 -35.8 22.0 2.1 22.4 82 81 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.899 106.3 52.5 -65.2 -43.7 20.2 5.5 23.1 83 82 A K H X S+ 0 0 124 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.938 112.7 45.7 -56.8 -48.1 20.1 4.7 26.9 84 83 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.882 110.4 52.4 -60.7 -48.7 23.9 4.0 26.8 85 84 A A H X S+ 0 0 16 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.938 111.5 47.5 -49.8 -50.4 24.6 7.2 24.7 86 85 A H H >X S+ 0 0 23 -4,-2.8 3,-1.3 2,-0.2 4,-0.9 0.978 110.0 51.8 -57.4 -53.7 22.6 9.2 27.3 87 86 A Y H >< S+ 0 0 188 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.883 109.4 51.9 -47.9 -45.1 24.5 7.6 30.3 88 87 A H H >< S+ 0 0 69 -4,-2.3 3,-1.2 1,-0.2 -1,-0.3 0.705 94.3 67.0 -73.4 -24.1 27.8 8.4 28.6 89 88 A T H << S+ 0 0 56 -4,-1.3 -1,-0.2 -3,-1.3 -2,-0.2 0.800 104.1 50.8 -63.9 -18.3 27.0 12.2 28.0 90 89 A H T << S+ 0 0 83 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.419 79.5 126.5-104.3 6.9 27.1 12.4 31.9 91 90 A K < 0 0 146 -3,-1.2 -3,-0.0 1,-0.1 -4,-0.0 -0.427 360.0 360.0 -63.8 134.4 30.5 10.6 32.3 92 91 A E 0 0 228 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.087 360.0 360.0-109.7 360.0 32.9 12.7 34.4 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 S 0 0 96 0, 0.0 -53,-0.1 0, 0.0 -54,-0.1 0.000 360.0 360.0 360.0 119.8 32.3 8.4 15.9 95 1 B T > - 0 0 27 -55,-0.3 4,-1.6 -56,-0.1 5,-0.1 -0.183 360.0-106.7 -77.9 168.9 30.1 6.9 13.2 96 2 B K H > S+ 0 0 155 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 124.0 53.6 -57.8 -43.5 27.1 8.6 11.6 97 3 B L H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 108.7 48.1 -58.1 -44.9 24.9 6.3 13.6 98 4 B E H > S+ 0 0 12 -58,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.850 108.8 54.1 -66.3 -29.8 26.6 7.4 16.9 99 5 B E H X S+ 0 0 104 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.892 107.5 51.1 -69.4 -39.0 26.2 11.0 15.9 100 6 B H H X S+ 0 0 32 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.885 109.4 49.8 -64.2 -43.8 22.5 10.5 15.5 101 7 B L H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.941 112.9 46.0 -58.2 -53.1 22.2 8.9 18.9 102 8 B E H X S+ 0 0 101 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.853 109.7 57.2 -53.0 -32.7 24.1 11.8 20.5 103 9 B G H X S+ 0 0 6 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.882 106.5 47.9 -72.7 -39.5 21.9 14.2 18.4 104 10 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.909 112.3 48.4 -68.7 -45.1 18.7 12.8 20.0 105 11 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.942 109.8 54.6 -55.6 -47.2 20.2 13.0 23.5 106 12 B N H X S+ 0 0 77 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.866 107.0 49.8 -55.7 -39.0 21.2 16.6 22.6 107 13 B I H X S+ 0 0 9 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.906 109.8 50.6 -73.4 -44.9 17.6 17.5 21.7 108 14 B F H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-1.0 0.939 112.1 48.2 -50.5 -50.2 16.2 16.1 24.9 109 15 B H H 3X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.831 100.1 62.0 -66.1 -37.0 18.8 18.0 26.9 110 16 B Q H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.667 117.3 35.1 -66.4 -20.5 18.2 21.4 25.2 111 17 B Y H X< S+ 0 0 23 -3,-1.0 3,-1.3 -4,-0.8 4,-0.4 0.783 115.2 52.9 -86.6 -48.4 14.6 21.0 26.6 112 18 B S H 3< S+ 0 0 0 -4,-2.8 8,-0.5 1,-0.3 3,-0.4 0.805 103.8 58.1 -63.8 -32.2 15.3 19.2 30.0 113 19 B V T 3< S+ 0 0 87 -4,-2.4 -1,-0.3 1,-0.2 5,-0.1 0.611 87.6 80.1 -71.3 -16.0 17.8 21.9 31.1 114 20 B R S < S- 0 0 182 -3,-1.3 2,-0.3 -5,-0.2 -1,-0.2 0.887 102.2 -1.4 -61.3 -47.7 15.4 24.8 30.9 115 21 B K S S- 0 0 126 -3,-0.4 5,-0.3 -4,-0.4 -1,-0.1 -0.895 109.0 -1.5-141.8 168.2 13.4 24.4 34.1 116 22 B G S S+ 0 0 82 -2,-0.3 2,-0.2 2,-0.1 5,-0.0 -0.129 119.6 9.8 49.9-140.3 13.1 22.2 37.2 117 23 B H S > S- 0 0 111 1,-0.1 3,-1.6 2,-0.0 -2,-0.2 -0.461 77.5-130.4 -70.9 134.3 15.5 19.3 37.3 118 24 B F T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.1 0.542 101.1 47.2 -63.0 -15.8 18.0 19.6 34.5 119 25 B D T 3 S+ 0 0 29 -6,-0.1 45,-0.4 -7,-0.1 2,-0.3 0.197 105.4 56.7-118.1 10.2 17.4 16.0 33.2 120 26 B T < - 0 0 27 -3,-1.6 2,-0.3 -8,-0.5 -5,-0.3 -0.880 62.6-145.0-134.6 173.9 13.7 15.7 33.1 121 27 B L B -B 162 0B 1 41,-1.5 41,-3.9 -2,-0.3 2,-0.1 -0.933 20.6-118.6-132.5 147.5 10.8 17.4 31.5 122 28 B S > - 0 0 31 -2,-0.3 4,-2.3 39,-0.2 5,-0.1 -0.409 36.6-107.5 -72.0 167.7 7.2 18.0 32.7 123 29 B K H > S+ 0 0 13 35,-0.4 4,-2.3 37,-0.3 5,-0.2 0.904 122.3 56.1 -68.8 -40.8 4.5 16.5 30.7 124 30 B G H > S+ 0 0 36 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.850 108.6 46.0 -51.6 -41.8 3.6 20.0 29.4 125 31 B E H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.875 110.3 53.6 -71.9 -39.5 7.2 20.5 28.1 126 32 B L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.908 107.0 52.0 -53.3 -51.6 7.2 17.0 26.5 127 33 B K H X S+ 0 0 35 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.843 110.4 47.9 -54.1 -43.2 4.0 17.9 24.6 128 34 B Q H X S+ 0 0 131 -4,-1.4 4,-1.9 2,-0.2 5,-0.4 0.945 111.9 50.8 -64.8 -48.1 5.6 21.1 23.3 129 35 B L H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.4 0.949 113.9 43.5 -51.7 -53.7 8.7 19.1 22.3 130 36 B L H X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.2 8,-0.2 0.912 111.5 53.2 -59.7 -46.3 6.6 16.5 20.4 131 37 B T H < S+ 0 0 81 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.839 123.1 28.0 -61.0 -33.0 4.3 19.0 18.7 132 38 B K H >< S+ 0 0 137 -4,-1.9 3,-1.2 -3,-0.2 4,-0.3 0.905 123.3 44.5 -96.9 -47.6 7.3 21.0 17.3 133 39 B E H 3< S+ 0 0 18 -4,-3.2 -128,-0.4 -5,-0.4 -131,-0.2 0.733 125.1 34.3 -81.4 -17.4 10.1 18.5 17.0 134 40 B L T 3X S+ 0 0 3 -4,-1.8 4,-3.7 -5,-0.4 -1,-0.3 0.060 79.7 123.9-115.5 21.8 7.8 15.8 15.4 135 41 B A H <> S+ 0 0 42 -3,-1.2 4,-1.8 1,-0.2 -2,-0.1 0.872 80.6 37.1 -55.8 -41.9 5.6 18.2 13.5 136 42 B N H > S+ 0 0 43 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.977 114.5 53.1 -76.3 -45.6 6.2 16.6 10.1 137 43 B T H 4 S+ 0 0 17 1,-0.3 4,-0.3 2,-0.2 3,-0.3 0.903 113.4 47.2 -52.2 -48.8 6.4 13.1 11.3 138 44 B I H >< S+ 0 0 32 -4,-3.7 3,-1.1 1,-0.2 -1,-0.3 0.854 109.0 52.2 -63.7 -42.2 3.0 13.8 12.9 139 45 B K H 3< S+ 0 0 159 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.872 113.4 44.9 -60.4 -33.7 1.5 15.4 9.8 140 46 B N T 3< S+ 0 0 62 -4,-2.6 2,-0.6 -3,-0.3 -1,-0.2 0.414 81.9 107.4 -90.1 -4.3 2.5 12.4 7.7 141 47 B I < - 0 0 19 -3,-1.1 6,-0.1 -4,-0.3 37,-0.0 -0.782 50.8-166.0 -81.9 124.5 1.3 9.6 10.0 142 48 B K S S+ 0 0 104 -2,-0.6 2,-0.7 1,-0.1 -1,-0.2 0.618 71.7 66.5 -93.6 -9.6 -1.8 8.2 8.4 143 49 B D >> - 0 0 99 1,-0.1 3,-2.1 2,-0.0 4,-0.7 -0.880 66.9-161.3-109.0 104.2 -3.0 6.1 11.4 144 50 B K H 3> S+ 0 0 147 -2,-0.7 4,-1.9 1,-0.3 -1,-0.1 0.416 84.3 75.6 -59.6 -1.1 -4.0 8.5 14.2 145 51 B A H 3> S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.690 94.7 55.0 -75.3 -24.3 -3.8 5.7 16.8 146 52 B V H <> S+ 0 0 34 -3,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.837 107.9 45.3 -73.9 -43.6 -0.2 6.3 16.3 147 53 B I H X S+ 0 0 42 -4,-0.7 4,-2.0 2,-0.2 3,-0.5 0.947 111.6 51.7 -57.3 -69.1 -0.6 10.1 17.2 148 54 B D H < S+ 0 0 98 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.936 107.6 54.5 -35.6 -37.1 -2.7 9.4 20.1 149 55 B E H >< S+ 0 0 106 -4,-1.5 3,-1.0 1,-0.3 -1,-0.2 0.881 105.7 52.0 -71.5 -37.2 0.0 6.9 21.3 150 56 B I H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.888 118.6 37.4 -60.5 -40.2 2.8 9.6 21.1 151 57 B F T >< S+ 0 0 50 -4,-2.0 3,-1.5 -3,-0.1 -1,-0.2 0.281 85.1 142.8 -94.4 12.2 0.6 11.9 23.2 152 58 B Q T < S- 0 0 139 -3,-1.0 -3,-0.1 -4,-0.3 -4,-0.0 -0.299 76.0 -6.8 -68.5 125.5 -0.8 9.2 25.6 153 59 B G T > S+ 0 0 40 -2,-0.1 3,-1.2 1,-0.1 -1,-0.3 0.475 87.2 125.9 80.5 1.7 -1.2 10.4 29.2 154 60 B L T < S+ 0 0 6 -3,-1.5 -27,-0.2 1,-0.2 -2,-0.1 0.393 71.8 59.4 -71.6 2.9 0.5 13.8 28.8 155 61 B D T 3 S+ 0 0 139 -4,-0.2 2,-0.3 -32,-0.0 -1,-0.2 -0.018 105.7 44.6-116.6 23.6 -2.7 15.4 30.2 156 62 B A S < S+ 0 0 50 -3,-1.2 4,-0.1 1,-0.1 -33,-0.0 -0.968 93.5 41.1-157.0 170.2 -2.7 13.7 33.6 157 63 B N > + 0 0 98 -2,-0.3 3,-1.9 1,-0.1 -1,-0.1 0.915 65.4 171.0 50.5 45.1 -0.3 12.7 36.4 158 64 B Q T 3 + 0 0 99 1,-0.3 -35,-0.4 -3,-0.1 -34,-0.2 0.721 67.5 63.6 -61.8 -24.1 1.1 16.2 35.9 159 65 B D T 3 S+ 0 0 131 -37,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.728 86.2 86.3 -68.2 -25.3 3.3 15.8 39.1 160 66 B E S < S- 0 0 110 -3,-1.9 -37,-0.3 -4,-0.1 2,-0.2 -0.682 75.0-143.7 -85.8 128.6 5.1 12.9 37.5 161 67 B Q - 0 0 93 -2,-0.5 2,-0.7 -39,-0.1 -39,-0.2 -0.482 12.0-114.9 -92.1 163.5 8.1 14.1 35.4 162 68 B V B -B 121 0B 0 -41,-3.9 -41,-1.5 -2,-0.2 2,-0.1 -0.854 30.3-166.8-103.6 112.7 9.4 12.6 32.1 163 69 B D > - 0 0 79 -2,-0.7 4,-1.7 -43,-0.2 3,-0.2 -0.313 39.6 -97.8 -88.5 175.9 12.9 11.1 32.2 164 70 B F H > S+ 0 0 7 -45,-0.4 4,-3.0 1,-0.2 5,-0.2 0.907 121.2 61.6 -62.7 -36.7 15.0 10.1 29.3 165 71 B Q H > S+ 0 0 82 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.909 106.5 46.0 -53.7 -45.9 13.9 6.4 29.5 166 72 B E H > S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.834 111.0 53.8 -67.2 -30.8 10.3 7.6 28.9 167 73 B F H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 3,-0.3 0.891 102.3 57.0 -70.1 -44.9 11.6 9.7 26.0 168 74 B I H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.887 102.8 55.9 -48.3 -44.2 13.4 6.7 24.4 169 75 B S H X S+ 0 0 70 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.897 110.3 44.7 -59.2 -39.8 10.0 4.9 24.3 170 76 B L H X S+ 0 0 17 -4,-1.1 4,-2.3 -3,-0.3 5,-0.3 0.896 109.6 54.5 -76.3 -39.1 8.5 7.9 22.3 171 77 B V H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.924 105.1 55.0 -56.8 -36.9 11.5 8.1 20.1 172 78 B A H X S+ 0 0 23 -4,-2.2 4,-1.5 1,-0.3 -2,-0.2 0.880 108.2 48.9 -64.7 -41.8 10.9 4.3 19.3 173 79 B I H X S+ 0 0 32 -4,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.866 112.5 46.9 -62.1 -38.9 7.4 5.0 18.2 174 80 B A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.831 107.6 56.8 -79.2 -27.3 8.5 7.9 16.0 175 81 B L H X S+ 0 0 2 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.881 107.4 48.1 -70.4 -36.0 11.3 5.9 14.5 176 82 B K H X S+ 0 0 117 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.924 113.1 49.2 -61.8 -50.8 8.7 3.2 13.4 177 83 B A H X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.873 111.1 48.8 -56.8 -42.3 6.5 6.1 12.0 178 84 B A H X S+ 0 0 14 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.847 111.5 50.3 -68.3 -34.3 9.4 7.6 10.1 179 85 B H H >X S+ 0 0 20 -4,-1.5 4,-0.6 1,-0.2 3,-0.6 0.965 109.3 50.7 -67.4 -48.9 10.4 4.2 8.7 180 86 B Y H >< S+ 0 0 154 -4,-2.8 3,-1.8 1,-0.3 4,-0.3 0.917 106.6 55.2 -56.8 -40.2 7.0 3.5 7.5 181 87 B H H >< S+ 0 0 79 -4,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.848 96.8 63.7 -65.0 -30.9 6.9 7.0 5.8 182 88 B T H << S+ 0 0 71 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.676 104.7 48.7 -65.3 -8.8 10.0 6.2 3.8 183 89 B H T << 0 0 73 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.2 0.387 360.0 360.0-113.9 -1.5 8.0 3.4 2.1 184 90 B K < 0 0 114 -3,-1.3 -2,-0.1 -4,-0.3 -3,-0.1 0.933 360.0 360.0 -77.9 360.0 5.0 5.5 1.3