==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 14-JAN-02 1KSO . COMPND 2 MOLECULE: S100 CALCIUM-BINDING PROTEIN A3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.R.E MITTL,G.FRITZ,D.F.SARGENT,T.J.RICHMOND,C.W.HEIZMANN, . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 72.8 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 . 7 3.8 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 . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 51.1 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 1 2 0 1 0 2 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 . 0 1 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 . 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 2 A A 0 0 111 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.4 9.8 14.4 -10.6 2 3 A R > - 0 0 98 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.548 360.0-128.2 -72.7 136.0 9.0 10.7 -10.2 3 4 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.873 106.7 46.9 -51.8 -46.3 9.1 9.7 -6.5 4 5 A L H > S+ 0 0 0 129,-0.2 4,-2.9 2,-0.2 5,-0.3 0.878 110.2 52.8 -68.2 -36.4 11.4 6.8 -7.0 5 6 A E H > S+ 0 0 15 128,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.919 111.2 47.0 -64.6 -41.3 13.9 8.8 -9.1 6 7 A Q H X S+ 0 0 117 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.897 113.5 49.9 -64.3 -41.5 14.0 11.5 -6.3 7 8 A A H X S+ 0 0 5 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.934 113.2 43.1 -63.9 -49.7 14.5 8.8 -3.7 8 9 A V H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.877 111.1 55.0 -67.7 -35.6 17.3 7.0 -5.5 9 10 A A H X S+ 0 0 34 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.848 108.3 50.7 -64.9 -31.7 19.0 10.2 -6.4 10 11 A A H X S+ 0 0 23 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.845 105.2 55.4 -73.0 -35.4 19.0 11.1 -2.7 11 12 A I H X S+ 0 0 5 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.880 111.1 44.9 -64.6 -36.4 20.5 7.8 -1.8 12 13 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.905 109.4 57.1 -72.3 -41.2 23.4 8.6 -4.2 13 14 A C H X S+ 0 0 71 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.933 107.9 46.1 -54.0 -50.8 23.6 12.1 -2.8 14 15 A T H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.947 112.0 51.1 -59.9 -48.6 24.1 10.8 0.8 15 16 A F H X S+ 0 0 0 -4,-1.7 4,-3.4 1,-0.2 5,-0.4 0.939 110.7 48.6 -53.6 -50.7 26.7 8.3 -0.4 16 17 A Q H X S+ 0 0 89 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.868 107.2 57.6 -57.9 -37.7 28.6 11.0 -2.2 17 18 A E H < S+ 0 0 106 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.937 117.4 31.1 -59.8 -48.3 28.5 13.2 0.8 18 19 A Y H >< S+ 0 0 2 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.913 123.1 46.0 -78.2 -44.6 30.2 10.7 3.0 19 20 A A H 3< S+ 0 0 1 -4,-3.4 3,-0.4 -5,-0.3 8,-0.3 0.780 107.5 59.6 -70.1 -26.2 32.5 9.0 0.5 20 21 A G T 3< S+ 0 0 46 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.519 78.9 90.2 -81.3 -4.5 33.6 12.3 -1.0 21 22 A R S < S- 0 0 119 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.946 106.1 -35.5 -55.0 -53.6 35.0 13.6 2.3 22 23 A C S S+ 0 0 99 -3,-0.4 -1,-0.2 -4,-0.4 2,-0.1 -0.977 104.6 17.5-164.8 163.1 38.5 12.1 1.5 23 24 A G S S+ 0 0 74 -2,-0.3 2,-0.6 -3,-0.1 5,-0.0 -0.350 109.4 14.9 72.8-147.5 40.2 9.2 -0.1 24 25 A D > - 0 0 80 1,-0.2 3,-2.0 -2,-0.1 -2,-0.1 -0.527 63.1-154.5 -68.7 112.1 38.5 6.8 -2.6 25 26 A K T 3 S+ 0 0 99 -2,-0.6 -1,-0.2 1,-0.3 -6,-0.1 0.603 92.6 57.3 -64.0 -11.4 35.3 8.6 -3.7 26 27 A Y T 3 S+ 0 0 28 -7,-0.1 45,-0.4 -6,-0.0 2,-0.3 0.279 104.5 59.3-103.8 10.8 33.7 5.3 -4.5 27 28 A K < - 0 0 74 -3,-2.0 2,-0.3 -8,-0.3 43,-0.2 -0.952 49.2-174.1-141.6 159.8 34.2 3.8 -1.0 28 29 A L E -A 69 0A 2 41,-1.7 41,-2.8 -2,-0.3 2,-0.3 -0.913 29.0-122.7-138.8 157.8 33.4 4.1 2.7 29 30 A C E >> -A 68 0A 29 -2,-0.3 4,-1.8 39,-0.3 3,-0.6 -0.718 33.1-107.7-100.2 160.0 34.7 2.1 5.6 30 31 A Q H 3> S+ 0 0 21 37,-2.6 4,-2.3 34,-0.5 35,-0.2 0.765 119.8 61.7 -60.1 -23.3 32.1 0.3 7.8 31 32 A A H 3> S+ 0 0 40 34,-2.0 4,-1.9 36,-0.3 -1,-0.2 0.931 107.6 42.9 -66.2 -44.4 32.8 2.8 10.5 32 33 A E H <> S+ 0 0 45 -3,-0.6 4,-2.7 33,-0.3 -2,-0.2 0.798 111.0 56.8 -70.2 -29.9 31.6 5.7 8.3 33 34 A L H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.929 107.9 46.4 -66.9 -43.7 28.7 3.5 7.2 34 35 A K H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.898 112.4 51.5 -64.7 -38.9 27.6 3.1 10.8 35 36 A E H X S+ 0 0 62 -4,-1.9 4,-2.0 2,-0.2 5,-0.3 0.935 110.7 48.3 -61.6 -47.8 28.0 6.9 11.2 36 37 A L H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.5 0.933 113.0 47.6 -58.8 -48.5 25.9 7.6 8.1 37 38 A L H X S+ 0 0 6 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.878 113.8 45.9 -63.3 -40.8 23.1 5.2 9.2 38 39 A Q H < S+ 0 0 104 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.802 122.9 35.8 -74.1 -27.9 22.9 6.5 12.8 39 40 A K H >< S+ 0 0 106 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.871 124.1 38.3 -91.1 -43.1 23.0 10.2 11.6 40 41 A E H 3< S+ 0 0 26 -4,-3.5 58,-0.5 -5,-0.3 -3,-0.2 0.744 130.8 30.0 -80.8 -25.3 20.9 10.0 8.4 41 42 A L T >< S+ 0 0 5 -4,-1.4 3,-1.8 -5,-0.5 -1,-0.2 -0.222 78.0 143.7-125.1 41.0 18.4 7.4 9.7 42 43 A A T < + 0 0 47 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.775 69.8 49.3 -52.3 -36.1 18.5 8.5 13.4 43 44 A T T 3 S+ 0 0 85 -3,-0.1 2,-0.5 -4,-0.1 -1,-0.3 0.501 84.2 108.3 -86.7 -3.3 14.8 7.9 14.0 44 45 A W < + 0 0 35 -3,-1.8 42,-0.1 -6,-0.1 -3,-0.1 -0.642 45.8 174.3 -78.6 124.0 14.8 4.4 12.5 45 46 A T - 0 0 94 -2,-0.5 6,-0.0 40,-0.4 -2,-0.0 -0.946 35.2 -89.2-130.3 150.8 14.4 1.7 15.2 46 47 A P - 0 0 27 0, 0.0 39,-0.3 0, 0.0 5,-0.1 -0.185 41.1-117.9 -59.7 146.0 13.9 -2.1 15.0 47 48 A T > - 0 0 3 37,-3.1 3,-2.2 36,-0.1 4,-0.4 -0.325 44.0 -82.0 -77.5 167.2 10.5 -3.6 14.9 48 49 A E T 3 S+ 0 0 128 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.768 126.2 30.7 -38.0 -47.3 9.2 -5.9 17.7 49 50 A F T 3 S+ 0 0 137 1,-0.2 -1,-0.3 41,-0.2 4,-0.1 0.135 110.8 64.5-108.5 23.7 10.8 -9.1 16.5 50 51 A R <> + 0 0 69 -3,-2.2 4,-2.7 34,-0.2 5,-0.2 0.192 63.3 105.2-126.7 14.6 13.9 -7.8 14.8 51 52 A E H > S+ 0 0 110 -3,-0.4 4,-3.2 -4,-0.4 5,-0.2 0.935 84.0 47.9 -61.6 -46.6 15.8 -6.3 17.7 52 53 A C H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 113.3 47.4 -60.0 -46.2 18.3 -9.1 17.9 53 54 A D H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.945 114.4 47.9 -60.2 -48.5 18.9 -9.0 14.1 54 55 A Y H X S+ 0 0 44 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.925 110.9 50.2 -58.4 -49.4 19.3 -5.2 14.3 55 56 A N H X S+ 0 0 87 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.916 112.0 47.6 -57.7 -45.1 21.7 -5.4 17.3 56 57 A K H X S+ 0 0 146 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.944 110.2 53.0 -61.3 -47.1 23.9 -8.0 15.5 57 58 A F H X S+ 0 0 33 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.913 113.2 43.1 -53.5 -47.4 23.9 -5.9 12.3 58 59 A M H X S+ 0 0 15 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.848 113.8 51.0 -69.1 -35.1 25.1 -2.8 14.3 59 60 A S H X S+ 0 0 67 -4,-2.4 4,-2.2 -5,-0.2 3,-0.2 0.863 105.7 56.4 -70.3 -36.4 27.6 -4.8 16.3 60 61 A V H X S+ 0 0 74 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.869 100.7 57.5 -63.0 -38.5 29.1 -6.4 13.1 61 62 A L H < S+ 0 0 8 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.866 109.2 46.1 -61.3 -34.8 29.8 -2.9 11.6 62 63 A D H >< S+ 0 0 53 -4,-1.0 3,-1.7 -3,-0.2 -2,-0.2 0.919 108.8 53.6 -72.5 -45.5 31.9 -2.1 14.7 63 64 A T H 3< S+ 0 0 119 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.815 120.4 34.9 -58.8 -30.5 33.7 -5.5 14.6 64 65 A N T >< S+ 0 0 61 -4,-1.8 3,-1.8 -5,-0.2 -34,-0.5 -0.138 76.1 140.9-117.6 37.9 34.6 -4.7 11.0 65 66 A K T < S+ 0 0 96 -3,-1.7 -34,-2.0 1,-0.3 -33,-0.3 0.789 73.6 46.5 -47.7 -40.1 35.0 -0.9 11.2 66 67 A D T 3 S+ 0 0 152 -36,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.505 86.6 104.2 -87.3 -5.7 38.0 -0.8 8.9 67 68 A C < - 0 0 58 -3,-1.8 -37,-2.6 -6,-0.2 -36,-0.3 -0.440 69.3-127.8 -72.2 153.0 36.6 -3.0 6.2 68 69 A E E -A 29 0A 129 -39,-0.3 2,-0.4 -38,-0.1 -39,-0.3 -0.709 18.9-163.4-104.7 156.5 35.4 -1.0 3.1 69 70 A V E -A 28 0A 3 -41,-2.8 -41,-1.7 -2,-0.3 2,-0.1 -0.994 9.6-144.2-136.7 141.2 32.1 -1.1 1.3 70 71 A D > - 0 0 78 -2,-0.4 4,-1.9 -43,-0.2 -43,-0.1 -0.235 43.7 -83.1 -90.2-171.7 31.3 0.1 -2.2 71 72 A F H > S+ 0 0 5 -45,-0.4 4,-2.8 1,-0.2 5,-0.2 0.899 128.1 52.5 -61.0 -45.1 28.0 1.8 -3.2 72 73 A V H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 110.6 48.5 -60.4 -38.6 26.1 -1.5 -3.7 73 74 A E H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.866 110.3 52.2 -68.6 -38.4 27.1 -2.7 -0.3 74 75 A Y H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.928 110.4 47.0 -63.7 -45.2 26.0 0.6 1.2 75 76 A V H X S+ 0 0 4 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.885 108.0 57.2 -65.7 -35.0 22.6 0.3 -0.5 76 77 A R H X S+ 0 0 131 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.907 102.8 54.4 -60.2 -41.6 22.4 -3.3 0.7 77 78 A S H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.874 106.7 51.4 -61.2 -36.8 22.8 -2.0 4.3 78 79 A L H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.882 108.2 51.9 -67.0 -38.1 19.8 0.4 3.7 79 80 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.933 109.0 50.3 -62.7 -45.2 17.8 -2.6 2.5 80 81 A C H X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.887 106.1 55.2 -61.1 -39.3 18.7 -4.5 5.6 81 82 A L H X S+ 0 0 7 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.846 105.2 53.8 -63.2 -32.3 17.6 -1.6 7.8 82 83 A C H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.3 7,-0.3 0.943 106.8 51.2 -65.1 -46.6 14.2 -1.6 6.1 83 84 A L H < S+ 0 0 41 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.842 119.3 37.4 -58.8 -33.7 13.9 -5.3 7.0 84 85 A Y H < S+ 0 0 37 -4,-1.8 -37,-3.1 -5,-0.2 -2,-0.2 0.822 130.4 24.7 -88.6 -32.4 14.7 -4.5 10.6 85 86 A C H < S+ 0 0 18 -4,-3.1 2,-0.5 -39,-0.3 -40,-0.4 0.496 96.6 89.1-114.8 -6.1 13.0 -1.2 11.1 86 87 A H >< - 0 0 48 -4,-2.6 3,-1.6 -5,-0.3 4,-0.2 -0.851 65.2-142.5-101.0 128.9 10.1 -0.9 8.7 87 88 A E G > S+ 0 0 114 -2,-0.5 3,-1.8 1,-0.3 4,-0.3 0.757 95.4 73.4 -55.9 -29.0 6.7 -2.2 9.8 88 89 A Y G 3 S+ 0 0 26 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.858 104.6 39.3 -55.4 -34.1 6.0 -3.5 6.3 89 90 A F G X S+ 0 0 2 -3,-1.6 3,-2.2 -7,-0.3 -1,-0.3 0.282 80.4 114.7 -99.8 9.6 8.5 -6.3 6.9 90 91 A K T < S+ 0 0 30 -3,-1.8 -1,-0.2 1,-0.3 -41,-0.2 0.863 89.8 29.7 -45.9 -47.2 7.5 -6.9 10.6 91 92 A D T 3 0 0 123 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.095 360.0 360.0-104.5 22.5 6.3 -10.4 9.8 92 93 A C < 0 0 61 -3,-2.2 -3,-0.1 -9,-0.2 -4,-0.0 -0.661 360.0 360.0 -81.2 360.0 8.7 -11.1 6.9 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 2 B A 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -80.5 13.2 16.5 8.1 95 3 B R > - 0 0 92 1,-0.1 4,-1.5 2,-0.0 3,-0.3 -0.748 360.0-150.5 -89.0 120.9 16.0 14.0 7.2 96 4 B P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.880 93.7 51.3 -55.0 -45.9 16.3 13.4 3.4 97 5 B L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.838 104.8 57.0 -66.4 -32.3 17.5 9.8 3.6 98 6 B E H > S+ 0 0 14 -58,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.935 111.5 42.0 -63.4 -45.9 14.7 8.7 5.8 99 7 B Q H X S+ 0 0 102 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.871 113.9 53.8 -67.8 -36.8 12.1 9.9 3.3 100 8 B A H X S+ 0 0 5 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.924 112.4 41.3 -64.7 -46.1 14.1 8.4 0.4 101 9 B V H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.889 112.4 55.3 -70.9 -36.0 14.4 5.0 1.9 102 10 B A H X S+ 0 0 35 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.904 107.4 53.0 -60.3 -38.9 10.8 5.1 3.0 103 11 B A H X S+ 0 0 25 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.846 103.3 53.7 -65.8 -38.0 10.0 5.9 -0.6 104 12 B I H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.850 110.9 47.7 -68.6 -27.9 11.8 2.9 -2.0 105 13 B V H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.892 108.4 55.3 -75.2 -37.8 9.8 0.7 0.3 106 14 B C H X S+ 0 0 81 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.919 108.9 46.8 -59.2 -44.9 6.6 2.4 -0.8 107 15 B T H X S+ 0 0 12 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.894 110.9 51.8 -66.2 -39.4 7.3 1.6 -4.4 108 16 B F H X S+ 0 0 0 -4,-1.6 4,-3.4 1,-0.2 5,-0.4 0.944 109.5 50.9 -60.8 -45.9 8.1 -2.0 -3.5 109 17 B Q H X S+ 0 0 93 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.861 103.9 58.7 -59.4 -38.0 4.8 -2.2 -1.7 110 18 B E H < S+ 0 0 123 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.890 119.6 27.7 -60.2 -41.1 2.9 -0.8 -4.7 111 19 B Y H >< S+ 0 0 7 -4,-1.6 3,-1.0 -3,-0.3 4,-0.3 0.898 124.1 46.0 -88.7 -45.5 4.1 -3.6 -6.9 112 20 B A H >< S+ 0 0 2 -4,-3.4 3,-0.5 1,-0.2 8,-0.3 0.819 107.9 59.0 -68.3 -30.2 4.6 -6.5 -4.4 113 21 B G T 3< S+ 0 0 44 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.1 0.529 78.2 93.2 -77.9 -5.4 1.3 -5.8 -2.7 114 22 B R T < S- 0 0 108 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.937 103.0 -29.8 -51.8 -52.9 -0.7 -6.3 -5.9 115 23 B C S < S+ 0 0 94 -3,-0.5 -1,-0.2 -4,-0.3 2,-0.1 -0.986 104.5 6.9-164.3 157.4 -1.4 -10.0 -5.2 116 24 B G S S+ 0 0 78 -2,-0.3 2,-0.7 -3,-0.1 -4,-0.0 -0.375 109.2 21.9 72.6-143.9 0.1 -13.0 -3.5 117 25 B D > - 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0 0 96 -2,-0.4 6,-0.1 40,-0.3 -2,-0.0 -0.936 35.5 -86.2-130.9 153.6 19.2 6.3 -19.0 139 47 B P - 0 0 29 0, 0.0 39,-0.3 0, 0.0 2,-0.1 -0.109 40.1-118.2 -57.2 149.8 22.7 4.8 -19.3 140 48 B T > - 0 0 13 37,-2.4 4,-0.5 36,-0.1 3,-0.2 -0.434 45.1 -83.0 -84.2 165.7 25.9 6.9 -19.2 141 49 B E T 4 S+ 0 0 120 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.681 126.4 30.5 -41.0 -30.3 28.2 7.0 -22.3 142 50 B F T >4 S+ 0 0 134 1,-0.1 3,-0.6 35,-0.1 4,-0.3 0.800 110.7 57.7-104.9 -35.1 30.0 3.8 -21.1 143 51 B R T 3> S+ 0 0 60 34,-0.3 4,-2.6 1,-0.2 5,-0.2 0.222 73.0 109.2 -83.4 17.2 27.6 1.6 -19.2 144 52 B E H 3X S+ 0 0 120 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.922 79.3 45.3 -58.2 -47.6 25.2 1.4 -22.1 145 53 B C H <> S+ 0 0 69 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.967 112.9 49.5 -60.6 -55.6 26.0 -2.2 -22.9 146 54 B D H > S+ 0 0 56 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.902 113.8 47.5 -49.6 -48.9 25.8 -3.3 -19.2 147 55 B Y H X S+ 0 0 42 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.972 108.7 51.2 -58.5 -60.8 22.4 -1.5 -18.9 148 56 B N H X S+ 0 0 92 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.868 115.0 45.8 -45.3 -44.0 20.8 -2.9 -22.0 149 57 B K H X S+ 0 0 133 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.951 108.2 54.7 -65.8 -52.0 21.8 -6.4 -20.9 150 58 B F H X S+ 0 0 30 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.902 113.6 42.3 -48.3 -49.0 20.6 -5.9 -17.3 151 59 B M H < S+ 0 0 14 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.865 114.8 50.3 -68.8 -37.3 17.1 -4.9 -18.5 152 60 B S H >< S+ 0 0 73 -4,-1.9 3,-1.8 -5,-0.3 4,-0.4 0.909 104.1 58.8 -67.1 -43.5 17.0 -7.6 -21.2 153 61 B V H >< S+ 0 0 79 -4,-3.4 3,-1.8 1,-0.3 4,-0.5 0.846 94.1 65.6 -54.0 -38.9 18.0 -10.4 -18.7 154 62 B L T 3< S+ 0 0 9 -4,-1.1 3,-0.5 1,-0.3 -1,-0.3 0.763 97.7 56.9 -57.8 -24.5 15.0 -9.6 -16.6 155 63 B D T X S+ 0 0 60 -3,-1.8 3,-0.6 -4,-0.4 -1,-0.3 0.623 88.6 74.1 -83.3 -13.5 12.8 -10.8 -19.5 156 64 B T T < S+ 0 0 109 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.715 113.3 19.8 -73.7 -20.4 14.4 -14.2 -19.7 157 65 B N T > S+ 0 0 81 -4,-0.5 3,-1.5 -3,-0.5 -34,-0.5 -0.505 70.3 170.4-148.4 70.2 12.6 -15.5 -16.6 158 66 B K T < S+ 0 0 103 -3,-0.6 -34,-2.3 1,-0.3 -33,-0.4 0.746 77.7 52.2 -54.7 -31.4 9.7 -13.3 -15.9 159 67 B D T 3 S+ 0 0 145 -37,-0.2 -1,-0.3 -36,-0.2 -2,-0.0 0.603 80.4 122.7 -84.8 -11.2 8.2 -15.5 -13.2 160 68 B C < - 0 0 43 -3,-1.5 -37,-1.8 -6,-0.1 -36,-0.2 -0.213 67.5-111.3 -55.3 136.1 11.4 -15.7 -11.2 161 69 B E E -B 122 0B 123 -39,-0.2 2,-0.4 -38,-0.1 -39,-0.3 -0.407 29.4-168.9 -73.0 143.3 11.1 -14.4 -7.6 162 70 B V E -B 121 0B 3 -41,-2.9 -41,-2.1 -2,-0.1 2,-0.1 -0.984 8.6-154.9-133.5 117.3 12.8 -11.2 -6.5 163 71 B D E > -B 120 0B 77 -2,-0.4 4,-2.1 -43,-0.2 5,-0.2 -0.312 35.1 -94.3 -87.5 177.0 13.0 -10.4 -2.8 164 72 B F H > S+ 0 0 5 -45,-0.6 4,-2.4 1,-0.2 5,-0.2 0.912 123.2 52.0 -57.2 -45.6 13.3 -6.9 -1.2 165 73 B V H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 111.0 47.9 -59.9 -39.1 17.1 -7.0 -1.0 166 74 B E H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 108.8 54.8 -70.1 -35.3 17.4 -8.0 -4.7 167 75 B Y H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.943 110.5 45.3 -61.7 -46.8 15.0 -5.2 -5.6 168 76 B V H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.894 109.4 55.4 -66.1 -37.1 17.1 -2.6 -3.8 169 77 B R H X S+ 0 0 113 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.893 104.6 54.6 -60.7 -38.3 20.3 -4.1 -5.4 170 78 B S H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.892 106.0 51.8 -62.5 -38.8 18.7 -3.6 -8.8 171 79 B L H X S+ 0 0 3 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.925 109.3 50.6 -62.5 -44.2 18.2 0.1 -7.9 172 80 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.5 0.919 108.0 51.5 -60.1 -45.9 21.9 0.3 -7.0 173 81 B C H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.916 106.5 54.8 -58.2 -42.6 23.0 -1.3 -10.3 174 82 B L H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.810 104.9 54.2 -61.4 -30.0 20.9 1.3 -12.1 175 83 B C H X S+ 0 0 1 -4,-1.3 4,-2.9 -3,-0.5 7,-0.3 0.938 107.4 49.5 -68.8 -44.8 22.7 4.0 -10.3 176 84 B L H < S+ 0 0 41 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.840 118.9 40.6 -60.9 -32.6 26.1 2.6 -11.5 177 85 B Y H < S+ 0 0 37 -4,-1.9 -37,-2.4 -5,-0.2 -34,-0.3 0.825 130.3 22.0 -85.4 -34.3 24.7 2.5 -15.0 178 86 B C H < S+ 0 0 17 -4,-2.8 2,-0.5 -39,-0.3 -40,-0.3 0.596 96.9 89.7-114.1 -13.4 22.8 5.8 -15.1 179 87 B H >< - 0 0 48 -4,-2.9 3,-1.8 -5,-0.3 4,-0.2 -0.785 65.1-141.4 -94.7 127.9 24.1 8.2 -12.5 180 88 B E G > S+ 0 0 111 -2,-0.5 3,-1.5 1,-0.3 4,-0.3 0.717 95.0 73.2 -54.6 -26.3 27.0 10.5 -13.5 181 89 B Y G 3 S+ 0 0 17 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.841 102.2 42.2 -59.9 -31.5 28.7 10.1 -10.1 182 90 B F G X S+ 0 0 3 -3,-1.8 3,-1.7 -7,-0.3 -1,-0.3 0.275 77.6 111.3 -99.2 10.2 29.7 6.6 -11.1 183 91 B K T < S+ 0 0 58 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.871 90.5 34.4 -51.2 -39.9 30.7 7.3 -14.7 184 92 B D T 3 0 0 122 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.343 360.0 360.0 -98.3 5.6 34.4 6.6 -13.7 185 93 B C < 0 0 68 -3,-1.7 -3,-0.1 -9,-0.1 -4,-0.0 -0.457 360.0 360.0 -69.3 360.0 33.6 3.9 -11.1