==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-NOV-11 2LLT . COMPND 2 MOLECULE: PROTEIN S100-A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LENARCIC ZIVKOVIC,M.ZAREBA-KOZIOL,L.ZHUKOVA,J.POZNANSKI,I. . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 80.6 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 . 8 4.3 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 . 2 1.1 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-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 . 24 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 2 0 0 0 0 2 0 0 2 1 0 3 0 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 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 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 G 0 0 67 0, 0.0 134,-0.1 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 -97.1 12.5 2.3 8.5 2 2 A S > - 0 0 29 132,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.184 360.0 -92.1 -69.6 176.7 13.7 5.9 8.2 3 3 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.919 131.4 47.7 -61.8 -39.9 11.0 8.6 8.2 4 4 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 112.2 49.2 -64.6 -43.8 10.8 8.4 4.4 5 5 A E H > S+ 0 0 12 129,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.875 109.4 50.6 -69.1 -33.4 10.6 4.6 4.5 6 6 A T H X S+ 0 0 53 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.845 106.9 56.4 -71.6 -28.3 7.8 4.6 7.1 7 7 A A H X S+ 0 0 2 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.954 111.5 42.7 -63.8 -45.3 6.0 7.1 4.9 8 8 A M H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.842 109.0 56.3 -71.1 -32.3 6.3 4.5 2.1 9 9 A E H X S+ 0 0 88 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.856 104.6 55.6 -71.5 -24.8 5.4 1.6 4.3 10 10 A T H X S+ 0 0 30 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.925 102.4 54.8 -66.7 -42.3 2.2 3.5 5.1 11 11 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.864 107.0 52.5 -60.5 -33.1 1.4 3.7 1.4 12 12 A I H X S+ 0 0 34 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.945 108.3 49.0 -67.6 -46.6 1.7 -0.1 1.4 13 13 A N H X S+ 0 0 93 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.935 114.1 46.0 -57.9 -47.2 -0.8 -0.5 4.3 14 14 A V H >X S+ 0 0 8 -4,-2.6 4,-0.7 2,-0.2 3,-0.6 0.914 112.8 49.0 -64.7 -42.2 -3.2 1.8 2.6 15 15 A F H >X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 3,-1.1 0.934 111.3 51.2 -61.0 -43.8 -2.9 0.1 -0.8 16 16 A H H 3< S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.645 94.9 71.4 -71.3 -14.2 -3.4 -3.3 0.9 17 17 A A H << S+ 0 0 77 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.824 116.3 22.4 -69.8 -30.1 -6.5 -2.0 2.6 18 18 A H H X< S+ 0 0 35 -3,-1.1 3,-0.7 -4,-0.7 -2,-0.2 0.564 103.0 104.7-109.7 -16.8 -8.3 -2.1 -0.8 19 19 A S T 3< + 0 0 21 -4,-1.6 9,-0.2 1,-0.2 6,-0.1 -0.150 60.9 52.1 -64.2 162.2 -6.1 -4.6 -2.7 20 20 A G T 3 + 0 0 29 7,-2.0 -1,-0.2 4,-0.9 5,-0.1 0.404 64.8 120.4 92.1 -2.1 -7.2 -8.2 -3.3 21 21 A K S < S+ 0 0 96 -3,-0.7 -2,-0.1 1,-0.2 7,-0.1 0.893 84.4 42.1 -55.8 -42.1 -10.6 -7.3 -4.9 22 22 A E S S- 0 0 108 2,-0.3 -1,-0.2 5,-0.3 3,-0.1 0.740 125.6 -99.5 -77.4 -28.5 -9.4 -9.1 -8.0 23 23 A G S S+ 0 0 40 1,-0.5 2,-0.4 4,-0.2 -2,-0.1 -0.059 97.1 98.4 126.7 -30.1 -7.9 -12.1 -6.1 24 24 A D > - 0 0 62 1,-0.1 -4,-0.9 2,-0.0 3,-0.7 -0.756 60.8-154.4 -90.2 130.0 -4.2 -11.0 -6.2 25 25 A K T 3 S+ 0 0 137 -2,-0.4 -1,-0.1 1,-0.2 -6,-0.1 0.608 91.5 50.3 -84.3 -14.8 -3.3 -9.5 -2.8 26 26 A Y T 3 S+ 0 0 99 -7,-0.1 45,-0.5 -6,-0.1 2,-0.3 0.217 108.9 63.8-106.8 11.6 -0.4 -7.3 -4.1 27 27 A K E < -A 70 0A 46 -3,-0.7 -7,-2.0 43,-0.2 2,-0.4 -0.913 60.5-162.7-132.8 159.0 -2.6 -5.9 -6.9 28 28 A L E -A 69 0A 0 41,-2.4 41,-2.7 -2,-0.3 -9,-0.1 -0.995 28.8-112.8-143.2 134.1 -5.7 -3.8 -7.2 29 29 A S E > -A 68 0A 1 -2,-0.4 4,-1.6 39,-0.3 39,-0.3 -0.376 29.5-120.0 -65.2 147.7 -7.9 -3.3 -10.2 30 30 A K H > S+ 0 0 37 37,-2.0 4,-1.5 34,-0.2 3,-0.2 0.906 112.3 49.1 -60.6 -42.2 -7.8 0.2 -11.7 31 31 A K H > S+ 0 0 72 34,-3.1 4,-0.8 36,-0.4 -1,-0.2 0.865 111.7 51.3 -65.4 -30.8 -11.6 1.0 -11.1 32 32 A E H > S+ 0 0 47 33,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.788 102.9 59.7 -77.1 -25.5 -11.2 -0.2 -7.6 33 33 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.873 95.6 62.2 -67.6 -36.4 -8.2 2.1 -7.2 34 34 A K H X S+ 0 0 53 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.868 100.7 54.2 -58.8 -33.7 -10.4 5.1 -8.0 35 35 A E H X S+ 0 0 78 -4,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.951 109.0 46.6 -63.5 -48.3 -12.4 4.2 -4.8 36 36 A L H >X>S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 5,-0.9 0.936 113.1 49.8 -59.1 -46.7 -9.2 4.2 -2.7 37 37 A L H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 112.5 47.4 -62.7 -32.3 -8.2 7.5 -4.3 38 38 A Q H 3<5S+ 0 0 89 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.667 119.0 40.9 -81.5 -22.5 -11.6 9.0 -3.6 39 39 A T H <<5S+ 0 0 83 -4,-1.4 -2,-0.2 -3,-0.6 -3,-0.2 0.896 129.6 19.0 -92.3 -56.2 -11.7 7.8 -0.0 40 40 A E T ><5S+ 0 0 51 -4,-2.9 3,-0.5 -5,-0.2 56,-0.4 0.855 130.9 43.3 -87.9 -38.4 -8.2 8.4 1.4 41 41 A L T >> S+ 0 0 59 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.798 71.8 55.7 -48.2 -37.5 -10.2 12.7 -0.9 43 43 A G H <> S+ 0 0 34 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.866 107.0 49.0 -71.6 -32.1 -8.8 15.7 1.0 44 44 A F H <4 S+ 0 0 17 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.819 109.9 53.1 -74.5 -27.3 -6.2 16.2 -1.8 45 45 A L H >< S+ 0 0 34 -4,-1.7 3,-1.4 -8,-0.2 -2,-0.2 0.905 109.0 48.5 -70.2 -40.3 -9.1 16.0 -4.3 46 46 A D H 3< S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.821 114.6 46.8 -66.3 -29.2 -10.9 18.7 -2.3 47 47 A A T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.114 84.6 141.9 -99.3 17.6 -7.7 20.8 -2.3 48 48 A Q < + 0 0 72 -3,-1.4 37,-0.3 1,-0.2 3,-0.1 -0.267 21.9 170.9 -60.3 148.4 -7.1 20.2 -6.0 49 49 A K + 0 0 78 35,-2.2 2,-1.6 1,-0.2 36,-0.2 0.609 68.0 64.3-122.8 -46.2 -5.7 23.2 -8.0 50 50 A D > + 0 0 51 34,-2.6 4,-2.5 1,-0.2 5,-0.3 -0.636 58.8 175.8 -86.3 86.0 -4.9 21.7 -11.4 51 51 A V H > S+ 0 0 101 -2,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.758 80.4 54.4 -63.7 -22.9 -8.4 20.7 -12.5 52 52 A D H > S+ 0 0 131 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.952 111.6 41.0 -72.9 -51.0 -6.9 19.6 -15.8 53 53 A A H > S+ 0 0 35 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.848 111.8 54.5 -70.2 -36.4 -4.3 17.2 -14.2 54 54 A V H X S+ 0 0 8 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.921 115.4 40.0 -64.7 -40.9 -6.6 15.8 -11.6 55 55 A D H X>S+ 0 0 95 -4,-1.0 4,-2.9 -5,-0.3 5,-0.6 0.840 104.5 67.1 -80.4 -29.5 -9.2 14.8 -14.2 56 56 A K H X5S+ 0 0 97 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.835 109.3 39.1 -57.5 -33.1 -6.5 13.7 -16.7 57 57 A V H X5S+ 0 0 12 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.891 118.7 46.6 -83.3 -43.0 -5.7 10.9 -14.3 58 58 A M H X5S+ 0 0 22 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.962 115.1 42.3 -66.5 -53.7 -9.3 10.1 -13.3 59 59 A K H X5S+ 0 0 91 -4,-2.9 4,-0.9 1,-0.2 5,-0.2 0.886 113.2 55.7 -63.5 -35.3 -10.9 10.1 -16.7 60 60 A E H >X< S+ 0 0 97 -4,-1.2 3,-1.7 -5,-0.2 -34,-0.2 0.116 80.3 116.8 -97.2 17.1 -8.9 1.7 -18.3 65 65 A G T 3 + 0 0 6 1,-0.3 -34,-3.1 -4,-0.2 -33,-0.4 0.708 60.8 65.5 -65.0 -20.7 -10.5 0.7 -15.0 66 66 A D T 3 S+ 0 0 140 -3,-0.3 -1,-0.3 -36,-0.2 -2,-0.1 0.406 92.1 76.8 -89.0 6.0 -10.8 -2.9 -15.8 67 67 A G S < S- 0 0 32 -3,-1.7 -37,-2.0 -6,-0.2 -36,-0.4 -0.020 79.4-126.6 -90.2-155.3 -7.1 -3.2 -15.8 68 68 A E E -A 29 0A 89 -39,-0.3 2,-0.3 -38,-0.1 -39,-0.3 -0.929 13.4-152.6-153.4 169.0 -5.1 -3.3 -12.7 69 69 A V E -A 28 0A 5 -41,-2.7 -41,-2.4 -2,-0.3 2,-0.2 -0.901 7.0-145.3-140.6 168.8 -2.2 -1.7 -10.8 70 70 A D E > -A 27 0A 46 -2,-0.3 4,-2.5 -43,-0.2 5,-0.2 -0.607 48.7 -78.3-121.2-174.3 0.4 -2.6 -8.2 71 71 A F H > S+ 0 0 10 -45,-0.5 4,-2.4 1,-0.2 5,-0.2 0.904 127.9 54.3 -54.0 -48.0 2.0 -0.5 -5.4 72 72 A Q H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 112.8 42.6 -55.4 -45.4 4.4 1.3 -7.8 73 73 A E H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 111.5 54.2 -69.4 -45.2 1.6 2.4 -10.1 74 74 A Y H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 110.1 47.2 -57.8 -40.3 -0.7 3.4 -7.3 75 75 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.890 108.1 55.2 -72.1 -36.9 2.0 5.6 -5.8 76 76 A V H X S+ 0 0 37 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.937 112.5 43.4 -58.3 -45.8 2.7 7.3 -9.2 77 77 A L H X S+ 0 0 18 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.888 112.8 52.0 -70.0 -37.9 -0.9 8.2 -9.5 78 78 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.928 111.0 48.0 -62.1 -44.9 -1.1 9.3 -5.8 79 79 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.874 108.9 54.3 -65.5 -37.0 1.9 11.6 -6.4 80 80 A A H X S+ 0 0 15 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.919 110.9 44.4 -63.9 -43.5 0.4 13.0 -9.6 81 81 A L H X S+ 0 0 2 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.898 110.3 57.7 -67.9 -36.2 -2.8 14.0 -7.7 82 82 A T H >X S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.927 107.8 44.8 -61.1 -44.9 -0.6 15.3 -4.9 83 83 A V H >X S+ 0 0 27 -4,-2.4 4,-1.4 1,-0.2 3,-0.9 0.886 106.4 60.3 -71.8 -28.4 1.2 17.7 -7.2 84 84 A A H 3< S+ 0 0 2 -4,-1.8 -34,-2.6 1,-0.3 -35,-2.2 0.742 112.0 40.9 -66.3 -20.5 -2.1 18.8 -8.8 85 85 A X H << S+ 0 0 35 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.447 113.7 54.4-101.2 -5.6 -3.1 19.9 -5.3 86 86 A N H X< S+ 0 0 29 -3,-0.9 3,-2.3 -4,-0.5 -2,-0.2 0.575 74.2 96.6-102.4 -15.4 0.4 21.4 -4.5 87 87 A N G >< + 0 0 67 -4,-1.4 3,-2.4 1,-0.3 -1,-0.1 0.713 60.7 89.0 -52.3 -20.9 0.6 23.7 -7.6 88 88 A F G > + 0 0 90 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.650 62.3 89.5 -48.7 -15.8 -0.7 26.5 -5.2 89 89 A F G < S+ 0 0 78 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.838 87.9 47.4 -51.6 -33.9 3.1 26.9 -4.5 90 90 A W G < S+ 0 0 173 -3,-2.4 2,-0.7 -4,-0.1 -1,-0.3 0.250 94.5 89.4 -94.5 12.4 3.0 29.5 -7.4 91 91 A E < - 0 0 98 -3,-2.3 2,-1.5 -4,-0.1 -1,-0.1 -0.904 63.3-159.4-116.0 103.4 -0.1 31.2 -6.1 92 92 A N 0 0 161 -2,-0.7 -3,-0.1 0, 0.0 -2,-0.0 -0.632 360.0 360.0 -86.0 85.3 0.8 34.0 -3.7 93 93 A S 0 0 147 -2,-1.5 -2,-0.0 -5,-0.2 0, 0.0 -0.423 360.0 360.0 -67.0 360.0 -2.4 34.5 -1.8 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 1 B G 0 0 66 0, 0.0 -54,-0.1 0, 0.0 -55,-0.0 0.000 360.0 360.0 360.0 -98.1 -4.6 14.8 6.3 96 2 B S > - 0 0 30 -56,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.059 360.0 -88.3 -69.4-177.8 -5.8 11.2 6.1 97 3 B E H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.939 132.4 44.2 -63.2 -42.8 -3.3 8.4 6.8 98 4 B L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 113.4 50.8 -65.6 -43.5 -2.3 8.3 3.1 99 5 B E H > S+ 0 0 14 -59,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.875 109.8 48.8 -68.5 -32.9 -2.1 12.1 2.9 100 6 B T H X S+ 0 0 55 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.866 108.2 56.1 -73.4 -30.1 0.1 12.3 6.0 101 7 B A H X S+ 0 0 3 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.961 112.3 42.0 -60.7 -47.8 2.2 9.6 4.4 102 8 B M H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.841 109.0 56.6 -70.6 -32.4 2.6 11.9 1.3 103 9 B E H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.867 104.0 56.2 -71.0 -25.7 3.1 15.1 3.3 104 10 B T H X S+ 0 0 29 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.924 103.4 53.4 -65.0 -42.1 6.1 13.2 4.9 105 11 B L H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.862 108.3 51.4 -62.5 -32.9 7.5 12.7 1.4 106 12 B I H X S+ 0 0 37 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.952 110.7 47.2 -68.4 -47.4 7.2 16.5 0.9 107 13 B N H X S+ 0 0 95 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.934 115.5 44.0 -58.9 -49.6 9.0 17.3 4.1 108 14 B V H X S+ 0 0 11 -4,-2.7 4,-0.6 2,-0.2 3,-0.3 0.864 111.5 52.9 -72.8 -29.8 11.8 14.9 3.4 109 15 B F H >X S+ 0 0 5 -4,-2.1 3,-1.3 -5,-0.3 4,-0.6 0.946 109.6 51.2 -61.3 -45.1 12.2 15.9 -0.3 110 16 B H H 3< S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.703 93.2 75.4 -66.5 -19.8 12.5 19.5 1.0 111 17 B A H 3< S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.809 113.4 21.5 -64.8 -28.2 15.2 18.4 3.4 112 18 B H H << S+ 0 0 38 -3,-1.3 3,-0.3 -4,-0.6 -1,-0.2 0.336 105.1 109.8-117.0 0.2 17.8 18.2 0.6 113 19 B S < + 0 0 17 -4,-0.6 9,-0.2 1,-0.2 6,-0.2 -0.173 48.2 56.3 -75.2 171.0 16.0 20.5 -2.0 114 20 B G + 0 0 16 7,-1.9 3,-0.5 4,-0.9 -1,-0.2 0.675 51.8 129.9 85.2 19.4 17.0 23.9 -3.2 115 21 B K S S+ 0 0 92 -3,-0.3 7,-0.1 1,-0.2 4,-0.1 0.900 88.5 42.2 -67.8 -36.0 20.6 23.3 -4.5 116 22 B E S S- 0 0 75 2,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.422 127.1-107.6 -82.9 -3.7 19.3 25.1 -7.6 117 23 B G S S+ 0 0 50 -3,-0.5 2,-0.5 1,-0.3 -2,-0.1 -0.127 94.1 104.3 97.9 -30.3 17.6 27.6 -5.3 118 24 B D > - 0 0 46 1,-0.1 -4,-0.9 2,-0.1 3,-0.5 -0.691 55.9-162.1 -85.1 125.6 14.0 26.3 -6.0 119 25 B K T 3 S+ 0 0 105 -2,-0.5 -6,-0.2 1,-0.2 -1,-0.1 0.533 87.1 59.4 -92.7 -8.2 13.0 24.3 -3.0 120 26 B Y T 3 S+ 0 0 94 -7,-0.1 45,-0.6 -6,-0.0 2,-0.3 0.300 109.2 59.1 -97.0 8.1 10.1 22.5 -4.6 121 27 B K E < -B 164 0B 42 -3,-0.5 -7,-1.9 43,-0.2 2,-0.3 -0.887 61.8-172.8-130.4 160.8 12.9 21.2 -7.0 122 28 B L E -B 163 0B 0 41,-2.0 41,-2.8 -2,-0.3 -9,-0.1 -0.970 32.4-108.8-151.6 138.9 16.1 19.2 -6.6 123 29 B S E > -B 162 0B 11 -2,-0.3 4,-1.5 39,-0.3 39,-0.3 -0.421 31.1-120.1 -68.1 148.0 18.8 18.4 -9.1 124 30 B K H > S+ 0 0 49 37,-1.9 4,-1.4 1,-0.2 3,-0.3 0.907 112.2 48.0 -59.4 -43.6 18.9 14.7 -10.1 125 31 B K H > S+ 0 0 84 34,-3.0 4,-0.7 36,-0.4 -1,-0.2 0.854 112.4 51.5 -65.2 -30.1 22.5 14.0 -9.0 126 32 B E H > S+ 0 0 50 33,-0.4 4,-1.1 -3,-0.2 -1,-0.2 0.763 102.3 60.4 -77.9 -24.4 21.6 15.7 -5.7 127 33 B L H X S+ 0 0 1 -4,-1.5 4,-2.5 -3,-0.3 5,-0.2 0.865 93.6 64.3 -69.2 -36.1 18.5 13.5 -5.4 128 34 B K H X S+ 0 0 47 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.862 98.6 55.6 -57.0 -34.3 20.7 10.4 -5.4 129 35 B E H X S+ 0 0 83 -4,-0.7 4,-1.5 -3,-0.2 -1,-0.2 0.947 107.5 47.6 -61.6 -48.8 22.2 11.7 -2.1 130 36 B L H X>S+ 0 0 0 -4,-1.1 4,-3.1 1,-0.2 5,-0.8 0.930 113.2 48.6 -59.3 -45.6 18.7 11.8 -0.5 131 37 B L H <5S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.802 111.9 49.2 -65.9 -30.1 17.9 8.3 -1.8 132 38 B Q H <5S+ 0 0 99 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.697 118.2 40.8 -81.8 -22.5 21.2 7.0 -0.4 133 39 B T H <5S+ 0 0 78 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.2 0.903 131.3 18.1 -88.9 -56.4 20.7 8.6 2.9 134 40 B E T <5S+ 0 0 47 -4,-3.1 3,-0.5 -5,-0.2 -132,-0.4 0.803 129.6 44.9 -92.5 -31.8 17.0 8.1 3.7 135 41 B L S >> S+ 0 0 61 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.782 72.0 54.1 -48.4 -37.2 19.3 3.5 2.4 137 43 B G H 3> S+ 0 0 34 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.877 109.2 46.6 -73.6 -34.2 17.4 0.7 4.1 138 44 B F H <4 S+ 0 0 15 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.830 110.8 54.5 -73.5 -29.4 15.4 -0.1 1.1 139 45 B L H >< S+ 0 0 32 -4,-2.0 3,-1.1 -8,-0.2 -2,-0.2 0.899 108.5 48.2 -68.8 -39.1 18.6 0.0 -0.9 140 46 B D H 3< S+ 0 0 147 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.816 112.5 49.4 -67.9 -30.1 20.1 -2.5 1.5 141 47 B A T 3< S+ 0 0 32 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.096 83.6 143.9 -97.3 18.9 17.0 -4.7 1.2 142 48 B Q < + 0 0 72 -3,-1.1 37,-0.3 1,-0.1 3,-0.1 -0.246 20.6 168.1 -61.3 149.3 17.1 -4.6 -2.6 143 49 B K + 0 0 68 35,-2.0 2,-1.6 1,-0.2 36,-0.2 0.585 67.2 64.8-127.4 -46.7 16.0 -7.7 -4.6 144 50 B D > + 0 0 50 34,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.636 59.6 173.7 -83.8 85.8 15.7 -6.6 -8.2 145 51 B V H > S+ 0 0 83 -2,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.810 78.0 55.7 -65.5 -27.4 19.3 -5.7 -8.7 146 52 B D H > S+ 0 0 136 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.892 112.5 41.2 -70.2 -40.1 18.5 -5.0 -12.4 147 53 B A H > S+ 0 0 42 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.847 110.5 54.8 -78.9 -36.8 15.8 -2.5 -11.5 148 54 B V H X S+ 0 0 9 -4,-2.5 4,-1.7 1,-0.2 3,-0.4 0.920 115.3 40.6 -65.0 -40.1 17.6 -0.7 -8.6 149 55 B D H X>S+ 0 0 92 -4,-1.4 4,-2.7 1,-0.2 5,-0.7 0.822 102.1 69.8 -80.3 -27.7 20.6 -0.0 -10.9 150 56 B K H <5S+ 0 0 108 -4,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.836 108.7 38.3 -56.7 -32.7 18.3 0.8 -13.9 151 57 B V H X5S+ 0 0 14 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.901 119.4 45.0 -83.6 -45.7 17.4 3.9 -11.9 152 58 B M H X5S+ 0 0 20 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.948 115.5 43.6 -67.5 -50.0 20.8 4.8 -10.4 153 59 B K H X5S+ 0 0 89 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.889 115.1 52.3 -64.1 -36.3 22.9 4.3 -13.4 154 60 B E H >>< S+ 0 0 91 -4,-1.5 3,-1.5 1,-0.2 -34,-0.2 0.152 83.3 113.3 -97.7 13.4 21.0 12.3 -16.4 159 65 B G T 3 + 0 0 6 -4,-0.4 -34,-3.0 1,-0.3 -33,-0.4 0.649 58.6 67.5 -67.7 -17.3 22.0 13.8 -13.1 160 66 B D T 3 S+ 0 0 138 -3,-0.3 -1,-0.3 -36,-0.2 -2,-0.1 0.455 90.7 76.4 -89.7 3.0 22.4 17.4 -14.2 161 67 B G S < S- 0 0 26 -3,-1.5 -37,-1.9 -6,-0.2 -36,-0.4 0.016 80.1-123.2 -88.4-155.9 18.8 17.7 -14.8 162 68 B E E -B 123 0B 101 -39,-0.3 2,-0.3 -38,-0.1 -39,-0.3 -0.920 14.1-151.8-151.6 166.4 16.3 18.1 -12.0 163 69 B V E -B 122 0B 2 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2,-0.2 -2,-0.2 0.865 108.3 55.6 -66.5 -36.1 8.3 3.9 -5.3 174 80 B A H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.919 110.7 43.7 -63.7 -42.9 10.4 2.2 -8.0 175 81 B L H X S+ 0 0 3 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.897 110.0 58.7 -69.0 -36.0 13.1 1.4 -5.5 176 82 B T H < S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.926 108.2 43.6 -59.7 -45.0 10.4 0.4 -3.0 177 83 B V H >X S+ 0 0 29 -4,-2.4 3,-1.3 1,-0.2 4,-1.1 0.893 107.4 59.7 -72.4 -30.3 9.0 -2.3 -5.3 178 84 B A H 3< S+ 0 0 2 -4,-1.9 -34,-2.4 1,-0.3 -35,-2.0 0.772 112.0 41.2 -65.1 -24.1 12.6 -3.5 -6.2 179 85 B X T 3< S+ 0 0 24 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.362 110.5 59.0 -99.1 -0.8 13.0 -4.2 -2.5 180 86 B N T X4 + 0 0 18 -3,-1.3 3,-1.5 -4,-0.3 -2,-0.2 0.555 68.4 109.9-101.6 -14.5 9.5 -5.7 -2.2 181 87 B N G >< + 0 0 48 -4,-1.1 3,-3.0 1,-0.3 -1,-0.1 0.548 43.9 99.4 -42.7 -20.4 10.0 -8.5 -4.8 182 88 B F G > + 0 0 102 1,-0.3 3,-1.9 -3,-0.2 -1,-0.3 0.695 63.7 82.8 -40.7 -19.3 9.9 -11.1 -2.0 183 89 B F G < S+ 0 0 85 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.756 96.4 40.2 -56.9 -25.7 6.3 -11.5 -3.3 184 90 B W G < S+ 0 0 201 -3,-3.0 2,-0.6 2,-0.0 -1,-0.3 0.125 97.3 95.2-110.9 17.2 7.8 -13.8 -6.0 185 91 B E < - 0 0 86 -3,-1.9 2,-1.6 -4,-0.1 -1,-0.0 -0.925 63.3-152.7-115.5 110.2 10.3 -15.5 -3.8 186 92 B N 0 0 160 -2,-0.6 -3,-0.1 1,-0.2 -4,-0.0 -0.615 360.0 360.0 -83.4 84.4 9.1 -18.8 -2.4 187 93 B S 0 0 152 -2,-1.6 -1,-0.2 -5,-0.2 -5,-0.0 0.691 360.0 360.0 -71.6 360.0 11.2 -18.9 0.8