==== 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 19-MAY-06 2H2K . COMPND 2 MOLECULE: PROTEIN S100-A13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LI,P.F.ZHANG,J.P.ZHANG,W.R.CHANG . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 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 . 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 . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 0 0 2 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 . 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 S > 0 0 116 0, 0.0 4,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.2 51.0 61.6 25.8 2 0 A L T >4 + 0 0 163 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.922 360.0 50.6 -65.6 -44.0 48.8 63.6 23.5 3 1 A M G >4 S+ 0 0 63 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.780 99.4 67.2 -65.1 -25.0 46.5 60.6 22.8 4 2 A A G 34 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.804 99.5 50.5 -64.8 -27.7 46.2 60.0 26.5 5 3 A A G << S+ 0 0 92 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.423 91.9 94.1 -89.3 -0.8 44.3 63.3 26.8 6 4 A E S < S- 0 0 111 -3,-1.4 3,-0.1 -4,-0.2 2,-0.1 -0.783 83.2-117.7 -91.6 134.2 41.9 62.3 24.0 7 5 A P - 0 0 99 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.401 37.8 -91.4 -72.0 149.7 38.7 60.7 25.2 8 6 A L - 0 0 57 1,-0.1 130,-0.1 -4,-0.1 129,-0.0 -0.203 45.8-108.8 -56.3 147.4 38.0 57.1 24.2 9 7 A T > - 0 0 14 128,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.263 33.1-101.8 -71.3 171.1 36.0 56.7 21.1 10 8 A E H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.863 123.3 47.3 -62.7 -36.0 32.5 55.5 21.4 11 9 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 111.7 48.0 -72.1 -47.1 33.6 52.0 20.3 12 10 A E H > S+ 0 0 1 125,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.892 112.1 50.6 -61.1 -40.2 36.6 51.7 22.6 13 11 A E H X S+ 0 0 105 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.865 109.5 51.3 -66.2 -36.8 34.5 52.9 25.6 14 12 A S H X S+ 0 0 10 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.898 110.4 48.1 -67.8 -41.8 31.8 50.3 24.8 15 13 A I H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.955 111.8 49.5 -64.0 -47.5 34.3 47.5 24.7 16 14 A E H X S+ 0 0 62 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.884 108.7 54.0 -60.3 -36.9 35.9 48.6 27.9 17 15 A T H X S+ 0 0 17 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.892 103.9 54.7 -64.4 -40.2 32.4 48.8 29.5 18 16 A V H X S+ 0 0 3 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.913 113.7 43.0 -59.0 -40.9 31.6 45.2 28.5 19 17 A V H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 3,-0.3 0.927 112.9 49.7 -72.4 -46.1 34.8 44.1 30.3 20 18 A T H X S+ 0 0 39 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.889 104.2 60.0 -62.2 -38.9 34.4 46.3 33.4 21 19 A T H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.905 101.4 55.6 -55.5 -42.2 30.9 45.1 33.9 22 20 A F H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.3 -1,-0.2 0.947 111.5 41.5 -55.9 -51.7 32.1 41.5 34.2 23 21 A F H X S+ 0 0 6 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.837 107.8 61.3 -69.2 -30.3 34.5 42.3 37.0 24 22 A T H < S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.940 116.1 32.5 -60.9 -43.8 32.1 44.6 38.8 25 23 A F H >< S+ 0 0 16 -4,-2.0 3,-1.1 -5,-0.2 4,-0.3 0.833 114.7 58.6 -82.3 -31.2 29.7 41.6 39.2 26 24 A A H 3< S+ 0 0 0 -4,-2.6 8,-0.5 -5,-0.2 3,-0.4 0.678 97.7 61.1 -72.9 -18.4 32.4 38.9 39.6 27 25 A R T 3< S+ 0 0 77 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.499 80.7 87.2 -86.6 -3.9 34.0 40.6 42.6 28 26 A Q S < S- 0 0 145 -3,-1.1 2,-0.3 1,-0.1 -1,-0.2 0.874 100.6 -0.8 -65.7 -38.7 30.8 40.3 44.8 29 27 A E S S- 0 0 89 -3,-0.4 7,-0.2 -4,-0.3 -1,-0.1 -0.978 110.1 -12.2-149.3 160.9 31.5 36.8 46.2 30 28 A G S S+ 0 0 68 -2,-0.3 5,-0.0 -3,-0.1 4,-0.0 -0.093 115.5 21.1 50.0-142.7 33.9 33.9 46.0 31 29 A R S > S- 0 0 189 1,-0.1 3,-0.9 2,-0.1 -2,-0.3 -0.319 70.1-145.8 -57.1 132.5 36.6 34.0 43.3 32 30 A K T 3 S+ 0 0 117 1,-0.2 -1,-0.1 -5,-0.1 -6,-0.1 0.611 94.1 54.3 -78.6 -12.6 37.0 37.7 42.1 33 31 A D T 3 S+ 0 0 53 -6,-0.1 42,-0.6 -7,-0.0 2,-0.3 0.178 106.3 54.7-106.5 17.6 37.7 36.7 38.4 34 32 A S E < S-A 74 0A 5 -3,-0.9 2,-0.7 -8,-0.5 40,-0.2 -0.998 77.2-117.8-149.2 146.9 34.5 34.5 37.9 35 33 A L E -A 73 0A 0 38,-2.8 38,-2.2 -2,-0.3 -9,-0.1 -0.792 22.2-149.5 -86.6 116.8 30.8 34.8 38.2 36 34 A S > - 0 0 7 -2,-0.7 4,-2.5 36,-0.2 5,-0.2 -0.261 39.6 -96.8 -58.4 167.2 29.0 32.6 40.6 37 35 A V H > S+ 0 0 50 34,-0.4 4,-1.9 1,-0.2 5,-0.1 0.851 127.4 48.7 -62.8 -35.6 25.5 31.6 39.6 38 36 A N H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 109.9 49.9 -72.1 -37.5 24.1 34.4 41.8 39 37 A E H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.897 110.5 52.4 -67.4 -38.2 26.5 37.0 40.5 40 38 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 108.7 49.4 -63.2 -42.4 25.4 35.9 37.0 41 39 A K H X S+ 0 0 59 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.901 111.2 49.0 -65.6 -38.1 21.7 36.3 37.9 42 40 A E H X S+ 0 0 94 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.909 109.8 53.1 -65.5 -40.8 22.4 39.8 39.3 43 41 A L H X>S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.6 0.949 112.8 43.6 -56.7 -51.4 24.3 40.7 36.1 44 42 A V H X5S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.934 116.2 46.6 -60.7 -49.1 21.4 39.6 34.0 45 43 A T H <5S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.879 123.0 34.5 -57.7 -40.0 18.8 41.3 36.2 46 44 A Q H <5S+ 0 0 101 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.752 135.8 14.1 -92.1 -27.4 20.7 44.5 36.4 47 45 A Q H <5S+ 0 0 38 -4,-2.3 55,-0.5 -5,-0.3 52,-0.2 0.445 129.8 37.8-136.0 -12.3 22.4 44.9 33.0 48 46 A L X< + 0 0 0 -4,-1.6 4,-1.6 -5,-0.6 -3,-0.1 0.006 68.3 123.6-142.2 26.6 20.8 42.4 30.6 49 47 A P T 4 S+ 0 0 40 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.751 83.3 37.1 -64.9 -26.3 17.1 42.4 31.5 50 48 A H T >4 S+ 0 0 25 2,-0.2 3,-1.7 -6,-0.1 4,-0.2 0.912 116.5 46.5 -92.3 -51.6 16.1 43.4 28.0 51 49 A L T 34 S+ 0 0 53 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.793 124.6 36.4 -61.9 -28.5 18.5 41.5 25.7 52 50 A L T >< S+ 0 0 10 -4,-1.6 3,-1.5 -8,-0.2 -1,-0.3 0.100 80.3 120.5-110.6 22.8 17.9 38.4 27.8 53 51 A K T < S+ 0 0 152 -3,-1.7 3,-0.2 1,-0.3 -1,-0.1 0.765 84.1 34.2 -57.2 -28.8 14.2 39.0 28.5 54 52 A D T 3 S+ 0 0 138 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.141 81.2 112.3-115.3 20.4 13.2 35.7 26.8 55 53 A V < - 0 0 46 -3,-1.5 2,-0.2 1,-0.2 -1,-0.1 0.703 64.3-150.8 -66.0 -21.0 16.1 33.5 27.8 56 54 A G + 0 0 56 -4,-0.3 -1,-0.2 -3,-0.2 5,-0.1 -0.507 60.5 23.8 83.0-155.7 14.0 31.3 30.0 57 55 A S > - 0 0 59 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 -0.176 58.2-160.5 -48.6 120.5 15.5 29.5 33.1 58 56 A L H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.764 91.8 60.8 -74.8 -24.6 18.7 31.4 34.2 59 57 A D H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 109.1 42.0 -66.4 -42.5 19.8 28.2 36.1 60 58 A E H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 112.2 54.3 -69.8 -41.3 19.8 26.4 32.8 61 59 A K H X S+ 0 0 28 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.915 106.5 52.7 -58.3 -45.4 21.4 29.3 31.0 62 60 A M H X S+ 0 0 12 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.930 109.4 49.9 -50.0 -49.5 24.2 29.3 33.6 63 61 A K H < S+ 0 0 129 -4,-1.7 6,-0.2 1,-0.2 -2,-0.2 0.912 109.8 49.2 -61.3 -45.4 24.7 25.6 32.9 64 62 A S H < S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.1 46.0 -64.5 -33.6 25.0 26.1 29.1 65 63 A L H < S+ 0 0 13 -4,-2.1 2,-2.2 -5,-0.2 -1,-0.2 0.755 93.9 79.8 -80.4 -25.3 27.5 28.9 29.5 66 64 A D >< + 0 0 14 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.2 -0.492 59.3 168.3 -81.5 69.7 29.6 27.0 32.1 67 65 A V T 3 S+ 0 0 70 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.633 73.5 46.9 -64.0 -14.9 31.3 25.0 29.3 68 66 A N T 3 S- 0 0 79 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.191 105.3-130.0-109.4 15.4 34.0 23.6 31.6 69 67 A Q < + 0 0 153 -3,-2.0 -2,-0.1 -6,-0.2 -6,-0.1 0.825 65.6 131.6 37.9 54.5 31.4 22.7 34.3 70 68 A D S S- 0 0 62 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.223 76.4-112.3-113.7 13.8 33.2 24.3 37.2 71 69 A S S S+ 0 0 86 1,-0.2 -34,-0.4 -5,-0.2 2,-0.3 0.515 88.5 85.5 70.6 8.5 30.1 26.1 38.5 72 70 A E S S- 0 0 44 -36,-0.1 2,-0.7 -35,-0.1 -2,-0.4 -0.933 72.2-130.7-135.3 157.9 31.5 29.6 37.6 73 71 A L E -A 35 0A 1 -38,-2.2 -38,-2.8 -2,-0.3 2,-0.1 -0.928 25.7-165.4-111.6 107.9 31.6 31.8 34.5 74 72 A K E >> -A 34 0A 97 -2,-0.7 4,-2.1 -40,-0.2 3,-0.8 -0.372 42.7 -88.6 -81.6 171.6 35.1 33.0 33.9 75 73 A F H 3> S+ 0 0 6 -42,-0.6 4,-3.3 1,-0.2 5,-0.2 0.863 126.1 55.8 -50.0 -45.0 35.6 35.9 31.5 76 74 A N H 3> S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.859 110.3 45.8 -59.5 -34.9 35.9 33.7 28.4 77 75 A E H <> S+ 0 0 12 -3,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.864 113.1 49.6 -74.4 -36.4 32.5 32.1 29.1 78 76 A Y H >X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 3,-0.5 0.924 107.8 55.3 -65.9 -42.7 31.0 35.5 29.8 79 77 A W H 3X S+ 0 0 35 -4,-3.3 4,-2.1 1,-0.3 -1,-0.2 0.864 101.4 57.1 -59.1 -36.6 32.5 36.7 26.5 80 78 A R H 3X S+ 0 0 163 -4,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.865 106.3 51.2 -62.7 -35.4 30.7 33.8 24.7 81 79 A L H X S+ 0 0 18 -4,-2.4 3,-0.9 1,-0.2 4,-0.6 0.933 106.0 56.7 -61.6 -44.5 21.5 42.4 17.8 90 88 A R H >< S+ 0 0 77 -4,-3.0 3,-0.6 1,-0.3 -1,-0.2 0.836 105.6 52.7 -55.3 -34.5 23.1 41.9 14.3 91 89 A K H 3< S+ 0 0 137 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.753 95.5 64.6 -75.2 -26.6 20.0 40.1 13.2 92 90 A K H << 0 0 170 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.666 360.0 360.0 -71.5 -10.6 17.6 42.9 14.2 93 91 A K << 0 0 118 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.1 0.941 360.0 360.0 -88.3 360.0 19.3 44.9 11.6 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 3 B A 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.2 10.3 52.8 26.6 96 4 B E - 0 0 136 -46,-0.0 2,-0.0 0, 0.0 -46,-0.0 -0.929 360.0-141.3 -88.5 98.8 12.1 50.2 28.6 97 5 B P - 0 0 97 0, 0.0 -47,-0.1 0, 0.0 0, 0.0 -0.290 13.2-104.5 -71.7 146.0 15.4 52.0 28.1 98 6 B L - 0 0 54 1,-0.1 2,-0.1 2,-0.1 -50,-0.1 -0.220 31.6-120.3 -65.7 154.7 18.6 50.0 27.6 99 7 B T > - 0 0 23 -52,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.430 31.9 -99.7 -86.2 170.0 21.2 49.5 30.3 100 8 B E H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.904 124.5 48.0 -56.9 -44.4 24.8 50.7 30.1 101 9 B L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 111.5 49.2 -64.4 -46.5 25.9 47.2 29.2 102 10 B E H > S+ 0 0 0 -55,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.887 111.5 48.6 -61.9 -40.3 23.2 46.6 26.6 103 11 B E H X S+ 0 0 107 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.878 109.7 53.4 -67.3 -37.3 23.9 50.0 24.8 104 12 B S H X S+ 0 0 10 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.933 109.5 47.3 -63.2 -45.8 27.7 49.2 24.8 105 13 B I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.928 111.9 51.5 -61.9 -41.8 27.1 45.8 23.1 106 14 B E H X S+ 0 0 74 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.878 106.4 54.0 -62.2 -38.9 24.8 47.6 20.6 107 15 B T H X S+ 0 0 39 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 104.6 54.3 -63.0 -40.2 27.4 50.2 19.8 108 16 B V H X S+ 0 0 2 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.901 113.4 43.1 -61.4 -38.0 30.0 47.5 19.0 109 17 B V H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 3,-0.2 0.925 114.2 48.5 -73.9 -44.5 27.5 46.0 16.5 110 18 B T H X S+ 0 0 38 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.827 103.9 60.9 -67.1 -30.4 26.4 49.2 14.9 111 19 B T H X S+ 0 0 11 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.913 101.3 54.9 -62.4 -40.7 29.9 50.5 14.5 112 20 B F H X S+ 0 0 0 -4,-1.0 4,-2.6 -3,-0.2 3,-0.4 0.952 111.1 42.8 -55.4 -54.4 30.6 47.5 12.2 113 21 B F H X S+ 0 0 37 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.851 105.5 62.9 -63.9 -35.3 27.7 48.3 9.9 114 22 B T H < S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.891 115.6 32.8 -57.9 -38.6 28.5 52.0 9.8 115 23 B F H >< S+ 0 0 11 -4,-1.6 3,-0.9 -3,-0.4 4,-0.3 0.832 114.0 58.2 -88.6 -31.6 31.8 51.2 8.2 116 24 B A H 3< S+ 0 0 0 -4,-2.6 8,-0.5 1,-0.2 3,-0.3 0.743 97.7 62.1 -70.7 -22.4 30.8 48.2 6.2 117 25 B R T 3< S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.652 80.9 86.3 -78.2 -14.1 28.1 50.0 4.3 118 26 B Q S < S+ 0 0 103 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.2 0.908 99.7 2.2 -52.1 -53.8 30.6 52.5 2.7 119 27 B E S S- 0 0 84 -4,-0.3 7,-0.2 -3,-0.3 -1,-0.1 -0.938 110.1 -16.4-139.1 161.0 31.6 50.3 -0.3 120 28 B G S S+ 0 0 73 -2,-0.3 2,-0.1 2,-0.1 5,-0.0 -0.142 118.1 22.4 49.2-137.7 30.9 47.0 -2.1 121 29 B R S > S- 0 0 145 1,-0.1 3,-0.9 2,-0.1 -2,-0.3 -0.392 70.4-149.9 -60.2 129.3 29.1 44.5 0.1 122 30 B K T 3 S+ 0 0 138 1,-0.2 -1,-0.1 -2,-0.1 -6,-0.1 0.556 91.6 56.3 -79.9 -8.6 27.3 46.4 2.9 123 31 B D T 3 S+ 0 0 57 -7,-0.1 42,-0.5 -6,-0.1 2,-0.3 0.218 106.8 52.3-106.8 13.1 27.6 43.5 5.4 124 32 B S E < S-B 164 0B 0 -3,-0.9 2,-0.6 -8,-0.5 40,-0.2 -0.996 78.1-116.3-148.1 152.9 31.3 43.2 5.2 125 33 B L E -B 163 0B 1 38,-2.7 38,-2.2 -2,-0.3 -9,-0.1 -0.801 21.4-151.6 -92.6 118.7 34.4 45.4 5.6 126 34 B S > - 0 0 10 -2,-0.6 4,-2.7 36,-0.2 5,-0.2 -0.326 40.7 -96.4 -63.9 165.1 36.8 45.8 2.6 127 35 B V H > S+ 0 0 48 34,-0.4 4,-2.0 1,-0.2 5,-0.1 0.885 128.3 49.5 -52.6 -41.6 40.4 46.5 3.5 128 36 B N H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 110.7 47.1 -68.1 -41.2 39.7 50.2 3.1 129 37 B E H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.875 111.6 52.8 -68.0 -36.7 36.6 50.2 5.3 130 38 B F H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.913 106.8 52.0 -64.0 -43.3 38.5 48.2 7.9 131 39 B K H X S+ 0 0 52 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.887 111.4 47.5 -61.2 -38.5 41.4 50.8 7.9 132 40 B E H X S+ 0 0 82 -4,-1.7 4,-1.9 2,-0.2 5,-0.3 0.869 109.3 51.9 -72.4 -36.2 38.9 53.6 8.4 133 41 B L H X S+ 0 0 1 -4,-2.2 4,-3.0 3,-0.2 5,-0.5 0.964 114.5 45.0 -63.9 -47.8 37.1 51.8 11.3 134 42 B V H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.975 117.9 39.8 -57.9 -61.3 40.5 51.3 13.0 135 43 B T H < S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 124.9 40.1 -62.4 -26.5 42.0 54.7 12.5 136 44 B Q H < S+ 0 0 103 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.863 133.5 15.8 -86.1 -40.7 38.6 56.4 13.3 137 45 B Q H < S+ 0 0 18 -4,-3.0 -125,-0.6 -5,-0.3 -3,-0.2 0.423 129.5 42.3-123.9 -6.6 37.2 54.3 16.1 138 46 B L X + 0 0 0 -4,-2.6 4,-1.8 -5,-0.5 -3,-0.1 -0.112 65.4 130.2-137.3 36.1 40.2 52.3 17.4 139 47 B P T 4 S+ 0 0 35 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.746 81.8 35.5 -66.6 -26.1 43.0 54.9 17.5 140 48 B H T >4 S+ 0 0 45 2,-0.1 3,-2.4 3,-0.1 4,-0.3 0.915 118.6 45.9 -89.4 -60.6 44.0 54.1 21.1 141 49 B L T 34 S+ 0 0 45 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.755 125.0 34.7 -55.7 -28.6 43.4 50.3 21.3 142 50 B L T >< S+ 0 0 18 -4,-1.8 3,-1.3 -8,-0.2 -1,-0.3 0.027 82.5 115.0-115.1 27.2 45.1 49.7 18.0 143 51 B K T < S+ 0 0 124 -3,-2.4 -1,-0.1 1,-0.3 -2,-0.1 0.859 81.7 43.4 -61.8 -35.4 47.7 52.5 18.4 144 52 B D T 3 S+ 0 0 156 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.136 86.3 121.9-102.9 18.0 50.5 49.9 18.5 145 53 B V < - 0 0 41 -3,-1.3 3,-0.1 1,-0.1 -3,-0.1 -0.578 55.1-138.8 -76.2 144.6 49.2 47.8 15.7 146 54 B G - 0 0 62 1,-0.3 -1,-0.1 -2,-0.2 2,-0.1 0.544 64.6 -9.9 -73.6-137.2 51.6 47.4 12.7 147 55 B S > - 0 0 61 1,-0.1 4,-1.3 2,-0.0 -1,-0.3 -0.405 57.4-147.0 -55.1 138.6 50.5 47.5 9.1 148 56 B L H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.749 98.1 63.9 -82.7 -24.9 46.7 47.5 8.8 149 57 B D H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.907 106.7 42.7 -64.7 -39.3 47.1 45.5 5.6 150 58 B E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 111.5 53.9 -73.9 -37.8 48.6 42.7 7.6 151 59 B K H X S+ 0 0 40 -4,-1.3 4,-2.2 1,-0.2 5,-0.2 0.916 106.3 53.4 -61.5 -42.5 46.1 43.0 10.4 152 60 B M H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.913 108.3 50.9 -56.4 -43.1 43.3 42.7 7.9 153 61 B K H < S+ 0 0 154 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 108.4 51.2 -63.0 -41.8 45.0 39.5 6.6 154 62 B S H < S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.3 42.2 -64.0 -37.7 45.2 38.1 10.2 155 63 B L H < S+ 0 0 0 -4,-2.2 2,-2.1 1,-0.2 -2,-0.2 0.816 96.6 77.6 -78.7 -33.0 41.5 38.7 10.7 156 64 B D >< + 0 0 11 -4,-2.4 3,-1.7 -5,-0.2 5,-0.2 -0.486 58.7 168.1 -80.5 74.9 40.3 37.6 7.3 157 65 B V T 3 S+ 0 0 95 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.721 72.8 50.1 -71.4 -22.8 40.6 33.9 8.2 158 66 B N T 3 S- 0 0 88 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.328 104.3-132.6-102.5 4.6 38.7 32.7 5.2 159 67 B Q < + 0 0 168 -3,-1.7 -2,-0.1 -6,-0.2 -3,-0.1 0.672 65.7 127.9 73.6 23.6 40.9 34.8 3.0 160 68 B D S S- 0 0 55 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 0.135 77.0-114.0-104.7 18.1 38.2 36.4 0.8 161 69 B S S S+ 0 0 85 -5,-0.2 -34,-0.4 1,-0.1 2,-0.4 0.661 86.8 95.0 62.6 18.0 39.3 40.0 1.4 162 70 B E - 0 0 35 -36,-0.1 2,-0.7 -35,-0.1 -2,-0.3 -0.994 67.2-139.1-137.6 142.7 36.2 41.0 3.3 163 71 B L E -B 125 0B 1 -38,-2.2 -38,-2.7 -2,-0.4 2,-0.1 -0.905 22.1-165.5-104.9 109.5 35.6 41.0 7.0 164 72 B K E >> -B 124 0B 87 -2,-0.7 4,-2.0 -40,-0.2 3,-0.8 -0.366 42.9 -87.5 -81.5 172.2 32.2 39.7 7.8 165 73 B F H 3> S+ 0 0 11 -42,-0.5 4,-2.7 1,-0.2 5,-0.1 0.840 125.8 55.3 -52.5 -38.1 30.7 40.3 11.3 166 74 B N H 3> S+ 0 0 112 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.857 109.2 46.3 -67.7 -31.9 32.2 37.2 12.8 167 75 B E H <> S+ 0 0 8 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.877 113.0 49.6 -76.1 -35.5 35.7 38.1 11.8 168 76 B Y H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 3,-0.3 0.917 108.6 54.8 -65.5 -40.6 35.2 41.6 13.1 169 77 B W H X S+ 0 0 35 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.865 101.0 57.9 -61.0 -35.7 33.9 40.1 16.3 170 78 B R H X S+ 0 0 99 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.901 105.9 50.8 -60.7 -40.0 37.1 38.1 16.7 171 79 B L H X S+ 0 0 2 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.943 108.4 50.9 -63.1 -46.5 39.0 41.4 16.6 172 80 B I H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.904 107.7 53.5 -57.5 -41.6 36.7 42.8 19.3 173 81 B G H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.895 107.3 51.9 -59.8 -40.2 37.4 39.7 21.4 174 82 B E H X S+ 0 0 42 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.940 112.1 44.6 -60.9 -49.6 41.1 40.3 21.1 175 83 B L H X S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 111.9 53.5 -62.7 -41.4 40.8 43.9 22.3 176 84 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.905 105.9 54.0 -60.4 -42.5 38.5 42.8 25.1 177 85 B K H X S+ 0 0 94 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.871 107.9 49.4 -59.8 -40.6 41.0 40.2 26.3 178 86 B E H X S+ 0 0 92 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.898 111.5 47.9 -67.5 -40.5 43.8 42.8 26.5 179 87 B I H X S+ 0 0 10 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.895 107.8 57.8 -65.7 -38.1 41.6 45.2 28.5 180 88 B R H X S+ 0 0 76 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.910 101.2 54.9 -57.3 -45.0 40.6 42.3 30.7 181 89 B K H < S+ 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.4 45.3 -58.0 -35.6 44.3 41.7 31.6 182 90 B K H >< S+ 0 0 140 -4,-1.2 3,-0.6 -3,-0.3 -1,-0.2 0.842 109.7 53.4 -76.9 -35.8 44.5 45.3 32.7 183 91 B K H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.600 116.1 40.5 -74.9 -13.1 41.2 45.3 34.7 184 92 B D T 3< S- 0 0 30 -4,-1.1 -1,-0.3 -5,-0.2 2,-0.2 -0.482 81.4-173.7-135.5 64.0 42.4 42.3 36.7 185 93 B L < - 0 0 134 -3,-0.6 2,-0.4 1,-0.1 -3,-0.1 -0.411 19.5-138.2 -63.1 123.7 46.1 42.8 37.5 186 94 B K 0 0 178 -2,-0.2 -1,-0.1 -5,-0.2 -2,-0.0 -0.713 360.0 360.0 -73.9 134.0 47.8 39.9 39.1 187 95 B I 0 0 218 -2,-0.4 -1,-0.0 0, 0.0 0, 0.0 -0.383 360.0 360.0 -93.2 360.0 50.1 41.3 41.8