==== 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 SIGNALING PROTEIN 29-OCT-01 1K9K . COMPND 2 MOLECULE: S100A6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.OTTERBEIN,R.DOMINGUEZ . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 76.4 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 . 5 2.8 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 . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 57.9 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 0 4 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 . 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 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 2 A A 0 0 102 0, 0.0 130,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.2 34.6 22.6 24.7 2 3 A C > - 0 0 40 1,-0.0 4,-2.5 128,-0.0 5,-0.2 -0.449 360.0 -92.3 -88.1 163.5 33.1 19.6 26.6 3 4 A P H > S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.849 122.8 48.4 -40.7 -55.6 31.1 16.7 25.0 4 5 A L H > S+ 0 0 0 126,-1.6 4,-2.5 1,-0.2 5,-0.3 0.954 116.0 43.9 -54.5 -52.6 27.6 18.3 25.4 5 6 A D H > S+ 0 0 12 125,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.835 111.0 54.2 -63.0 -36.9 28.7 21.6 23.9 6 7 A Q H X S+ 0 0 98 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.931 113.3 42.2 -63.2 -48.0 30.7 20.0 21.1 7 8 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.930 118.5 43.8 -66.3 -47.3 27.7 18.0 19.9 8 9 A I H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.917 112.6 54.8 -63.7 -42.9 25.1 20.8 20.3 9 10 A G H X S+ 0 0 22 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.920 107.2 49.0 -57.1 -46.8 27.6 23.2 18.7 10 11 A L H X S+ 0 0 73 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.914 109.4 51.8 -60.4 -44.4 27.9 21.0 15.6 11 12 A L H X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.880 111.9 47.7 -61.3 -36.2 24.2 20.7 15.3 12 13 A V H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 110.1 51.7 -69.8 -42.1 23.9 24.5 15.5 13 14 A A H X S+ 0 0 52 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.862 105.9 55.8 -62.1 -36.9 26.7 25.0 12.9 14 15 A I H X S+ 0 0 7 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.915 106.4 49.9 -63.3 -42.4 25.0 22.7 10.5 15 16 A F H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.945 111.4 48.4 -60.6 -49.0 21.8 24.8 10.6 16 17 A H H X S+ 0 0 52 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.825 107.0 57.6 -61.1 -34.0 23.8 28.0 9.9 17 18 A K H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.947 117.2 30.3 -63.4 -49.7 25.6 26.4 7.0 18 19 A Y H >< S+ 0 0 1 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.707 110.5 65.2 -85.9 -20.4 22.5 25.5 5.1 19 20 A S H 3< S+ 0 0 1 -4,-2.3 8,-0.5 1,-0.2 3,-0.4 0.766 95.0 60.9 -73.9 -23.3 20.2 28.3 6.2 20 21 A G T 3< S+ 0 0 47 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 0.315 77.3 91.2 -87.8 9.6 22.3 31.0 4.5 21 22 A R S < S- 0 0 121 -3,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.955 100.1 -13.4 -66.6 -52.1 22.0 29.7 1.0 22 23 A E S S+ 0 0 70 -3,-0.4 -1,-0.2 -4,-0.3 7,-0.2 -0.945 109.2 0.3-148.0 165.6 18.9 31.7 -0.0 23 24 A G S S+ 0 0 73 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.162 115.9 19.8 54.3-144.9 16.1 33.8 1.4 24 25 A D > - 0 0 77 1,-0.2 3,-1.3 2,-0.1 -2,-0.2 -0.361 69.9-146.9 -55.5 123.9 16.1 34.3 5.2 25 26 A K T 3 S+ 0 0 138 1,-0.2 -1,-0.2 -5,-0.1 -6,-0.1 0.630 96.4 53.4 -71.7 -10.2 19.6 33.6 6.4 26 27 A H T 3 S+ 0 0 57 -6,-0.1 43,-0.6 -7,-0.0 2,-0.3 0.228 104.6 56.2-109.6 13.9 18.0 32.3 9.6 27 28 A T E < S-A 68 0A 10 -3,-1.3 2,-0.5 -8,-0.5 41,-0.2 -0.970 76.8-119.9-140.2 157.6 15.5 29.8 8.2 28 29 A L E -A 67 0A 0 39,-2.8 39,-2.8 -2,-0.3 -9,-0.1 -0.855 21.4-153.0 -99.9 125.6 15.7 26.7 5.9 29 30 A S > - 0 0 13 -2,-0.5 4,-2.9 37,-0.2 5,-0.2 -0.312 40.6 -94.4 -82.3 177.3 13.7 26.7 2.7 30 31 A K H > S+ 0 0 82 35,-0.4 4,-2.2 1,-0.2 5,-0.1 0.907 128.8 48.7 -60.0 -40.8 12.6 23.4 1.2 31 32 A K H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.855 112.6 46.8 -67.8 -35.8 15.8 23.3 -0.9 32 33 A E H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.910 111.9 51.0 -72.0 -42.5 18.1 24.2 2.0 33 34 A L H X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.917 110.1 50.8 -58.8 -43.8 16.4 21.6 4.2 34 35 A K H X S+ 0 0 58 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.928 111.3 46.0 -62.2 -46.7 16.8 19.0 1.4 35 36 A E H X S+ 0 0 38 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.923 112.6 51.8 -62.9 -42.8 20.5 19.7 1.0 36 37 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.940 114.0 43.2 -59.0 -48.1 21.0 19.6 4.7 37 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 7,-0.4 0.947 114.7 49.0 -62.5 -51.1 19.3 16.2 5.0 38 39 A Q H < S+ 0 0 84 -4,-2.9 7,-0.4 6,-0.3 -1,-0.2 0.827 121.7 34.0 -59.9 -35.9 21.1 14.7 2.0 39 40 A K H < S+ 0 0 121 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.726 128.0 31.9 -94.5 -23.1 24.5 15.8 3.1 40 41 A E H < S+ 0 0 22 -4,-2.3 54,-1.5 -5,-0.3 55,-0.7 0.619 102.4 72.8-111.8 -15.6 24.3 15.6 6.9 41 42 A L S >X S- 0 0 9 -4,-2.1 3,-2.0 -5,-0.3 4,-0.5 -0.884 74.5-132.8-106.7 132.1 21.9 12.7 7.7 42 43 A T T 34 S+ 0 0 65 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.877 109.0 35.1 -46.0 -50.0 23.0 9.1 7.2 43 44 A I T >> S+ 0 0 104 1,-0.2 3,-1.0 2,-0.1 4,-0.7 0.383 93.5 99.8 -88.5 4.6 19.8 8.1 5.4 44 45 A G G X4 S+ 0 0 0 -3,-2.0 3,-1.1 -7,-0.4 -6,-0.3 0.885 73.6 55.5 -58.0 -46.4 19.4 11.5 3.7 45 46 A S G 3< S+ 0 0 92 -4,-0.5 -1,-0.2 -7,-0.4 -2,-0.1 0.645 109.2 49.8 -64.8 -14.7 20.8 10.6 0.3 46 47 A K G <4 S+ 0 0 166 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.575 85.5 108.5-100.0 -11.8 18.3 7.9 -0.1 47 48 A L << - 0 0 39 -3,-1.1 2,-0.1 -4,-0.7 -9,-0.0 -0.419 65.9-129.5 -69.5 139.5 15.2 9.9 0.9 48 49 A Q >> - 0 0 123 -2,-0.1 4,-1.5 1,-0.1 3,-0.8 -0.477 21.2-112.3 -85.1 158.3 12.8 10.8 -1.9 49 50 A D H 3> S+ 0 0 67 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.870 118.2 58.7 -59.1 -36.8 11.5 14.3 -2.5 50 51 A A H 3> S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.846 105.8 50.7 -60.9 -32.0 8.0 13.3 -1.4 51 52 A E H <> S+ 0 0 95 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.829 108.6 49.7 -75.2 -32.4 9.5 12.3 1.9 52 53 A I H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.865 109.7 52.8 -72.7 -35.1 11.3 15.7 2.3 53 54 A A H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.870 109.0 48.8 -65.5 -39.0 8.1 17.4 1.5 54 55 A R H X S+ 0 0 199 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.888 109.7 52.4 -68.5 -37.9 6.3 15.5 4.2 55 56 A L H X S+ 0 0 32 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.903 108.8 50.1 -63.7 -42.0 9.2 16.3 6.6 56 57 A M H X S+ 0 0 18 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.944 109.6 50.5 -61.5 -48.2 8.7 20.0 5.8 57 58 A E H < S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.6 46.7 -56.3 -42.6 5.0 19.8 6.4 58 59 A D H < S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.935 118.9 38.4 -65.8 -48.9 5.6 18.1 9.8 59 60 A L H < S+ 0 0 8 -4,-2.9 2,-2.1 1,-0.2 -2,-0.2 0.811 93.8 85.8 -75.7 -31.4 8.3 20.6 10.9 60 61 A D >< + 0 0 10 -4,-3.1 3,-1.1 -5,-0.2 -1,-0.2 -0.446 48.8 164.7 -75.5 78.4 6.8 23.8 9.6 61 62 A R T 3 S+ 0 0 141 -2,-2.1 -1,-0.2 1,-0.2 6,-0.1 0.791 71.3 47.8 -67.8 -29.4 4.5 24.7 12.5 62 63 A N T 3 S- 0 0 89 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.296 105.3-122.6 -96.9 12.3 3.9 28.3 11.6 63 64 A K S < S+ 0 0 117 -3,-1.1 -2,-0.1 -6,-0.1 -6,-0.0 0.872 72.6 124.8 55.1 47.3 3.1 27.7 8.0 64 65 A D S S- 0 0 56 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.252 79.2-116.0-115.1 10.7 5.7 29.9 6.2 65 66 A Q S S+ 0 0 133 1,-0.2 -35,-0.4 -5,-0.2 2,-0.3 0.689 85.5 98.1 63.5 21.4 7.1 27.0 4.2 66 67 A E S S- 0 0 49 -37,-0.1 2,-0.7 -10,-0.1 -2,-0.4 -0.959 72.1-128.5-136.2 153.9 10.4 27.4 6.0 67 68 A V E -A 28 0A 0 -39,-2.8 -39,-2.8 -2,-0.3 -7,-0.1 -0.907 26.8-163.0-105.3 111.0 12.1 25.6 8.9 68 69 A N E > -A 27 0A 26 -2,-0.7 4,-1.9 -41,-0.2 -41,-0.2 -0.285 38.6 -94.5 -82.4 176.9 13.3 28.1 11.5 69 70 A F H > S+ 0 0 4 -43,-0.6 4,-2.0 1,-0.2 5,-0.1 0.824 124.6 54.6 -63.1 -31.5 15.8 27.1 14.2 70 71 A Q H > S+ 0 0 90 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.899 110.2 45.6 -68.8 -40.0 13.1 26.3 16.7 71 72 A E H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.821 110.8 54.9 -71.1 -30.2 11.4 23.9 14.3 72 73 A Y H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.876 103.7 54.9 -69.1 -37.7 14.9 22.4 13.5 73 74 A V H X S+ 0 0 26 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.884 105.0 53.3 -62.2 -37.7 15.3 21.8 17.3 74 75 A T H X S+ 0 0 91 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.889 107.8 50.9 -63.8 -38.8 12.1 19.8 17.2 75 76 A F H X S+ 0 0 16 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.925 108.6 51.2 -63.0 -46.3 13.5 17.7 14.4 76 77 A L H X S+ 0 0 14 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 108.8 51.8 -58.2 -43.6 16.7 17.1 16.4 77 78 A G H X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.870 106.9 52.9 -62.4 -36.6 14.6 16.0 19.3 78 79 A A H X S+ 0 0 46 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.911 110.1 48.1 -65.2 -41.1 12.7 13.5 17.2 79 80 A L H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.860 108.7 54.3 -67.2 -35.9 16.0 12.0 15.9 80 81 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.901 106.3 51.5 -65.4 -41.3 17.3 11.8 19.5 81 82 A L H X S+ 0 0 70 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.931 109.7 50.6 -61.4 -44.1 14.2 9.8 20.6 82 83 A I H X S+ 0 0 118 -4,-1.8 4,-1.0 1,-0.2 3,-0.2 0.932 113.2 44.2 -58.2 -48.5 14.7 7.4 17.7 83 84 A Y H X S+ 0 0 98 -4,-2.3 4,-0.6 1,-0.2 3,-0.2 0.874 107.9 60.4 -65.6 -36.9 18.4 6.8 18.6 84 85 A N H >< S+ 0 0 4 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.857 98.8 56.9 -59.6 -38.6 17.5 6.5 22.3 85 86 A E H >< S+ 0 0 113 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.898 102.0 53.6 -62.1 -41.9 15.2 3.5 21.7 86 87 A A H 3< S+ 0 0 92 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.674 109.1 52.2 -67.6 -14.4 18.0 1.4 20.0 87 88 A L T << S+ 0 0 78 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.326 92.0 106.4-102.1 4.6 20.1 2.1 23.1 88 89 A K < 0 0 90 -3,-1.7 -3,-0.0 -4,-0.1 28,-0.0 -0.539 360.0 360.0 -90.8 155.6 17.4 0.9 25.5 89 90 A G 0 0 92 -2,-0.2 -1,-0.0 0, 0.0 -4,-0.0 0.168 360.0 360.0 157.4 360.0 17.2 -2.3 27.6 90 !* 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 91 2 B A 0 0 91 0, 0.0 -50,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.0 27.4 7.7 10.5 92 3 B C > - 0 0 37 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.330 360.0 -94.2 -79.0 164.6 27.1 11.2 9.1 93 4 B P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.862 123.6 47.0 -46.2 -47.5 28.0 14.3 11.2 94 5 B L H > S+ 0 0 0 -54,-1.5 4,-2.3 2,-0.2 5,-0.2 0.937 113.8 45.9 -65.8 -46.9 24.4 15.0 12.3 95 6 B D H > S+ 0 0 41 -55,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.881 112.1 53.8 -63.0 -37.8 23.7 11.3 13.3 96 7 B Q H X S+ 0 0 102 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.943 108.8 47.3 -62.5 -47.3 27.0 11.2 15.1 97 8 B A H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 113.2 47.8 -60.3 -48.2 26.3 14.3 17.2 98 9 B I H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.924 111.0 52.9 -59.1 -43.1 22.8 13.0 18.1 99 10 B G H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.879 107.5 51.2 -59.8 -38.5 24.4 9.7 19.0 100 11 B L H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 109.6 49.6 -65.6 -42.9 26.9 11.3 21.3 101 12 B L H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.891 111.8 47.9 -64.3 -39.5 24.2 13.2 23.1 102 13 B V H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.896 110.0 53.1 -68.4 -38.6 22.1 10.1 23.6 103 14 B A H X S+ 0 0 50 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.888 104.2 56.3 -63.0 -39.9 25.2 8.2 24.9 104 15 B I H X S+ 0 0 8 -4,-2.1 4,-1.2 2,-0.2 5,-0.2 0.928 104.0 53.8 -57.8 -45.6 25.9 10.9 27.4 105 16 B F H >X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 3,-0.8 0.948 112.2 42.7 -53.6 -53.8 22.4 10.5 28.9 106 17 B H H 3X S+ 0 0 40 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.727 101.4 69.4 -67.9 -23.3 22.9 6.8 29.4 107 18 B K H 3< S+ 0 0 116 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.872 118.1 22.4 -61.8 -34.8 26.4 7.2 30.7 108 19 B Y H X< S+ 0 0 2 -4,-1.2 3,-1.2 -3,-0.8 4,-0.3 0.739 111.5 68.6-104.3 -28.6 24.8 8.8 33.8 109 20 B S H 3< S+ 0 0 0 -4,-2.7 8,-0.5 1,-0.2 3,-0.4 0.799 96.7 55.6 -65.7 -28.1 21.3 7.5 34.0 110 21 B G T 3< S+ 0 0 40 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.485 81.2 89.2 -85.5 0.2 22.3 3.9 34.8 111 22 B R S < S- 0 0 112 -3,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.849 99.6 -4.8 -66.6 -37.0 24.4 4.7 37.9 112 23 B E S S+ 0 0 79 -3,-0.4 7,-0.2 -4,-0.3 -1,-0.1 -0.978 111.6 0.0-153.6 162.9 21.6 4.5 40.5 113 24 B G S S+ 0 0 74 -2,-0.3 5,-0.0 -3,-0.1 6,-0.0 -0.216 118.1 15.6 55.6-145.3 17.8 4.0 40.8 114 25 B D S > S- 0 0 91 1,-0.1 3,-0.6 2,-0.1 -2,-0.3 -0.319 72.9-139.2 -57.6 139.1 16.0 3.6 37.5 115 26 B K T 3 S+ 0 0 121 1,-0.2 -1,-0.1 -5,-0.1 -4,-0.1 0.732 97.0 46.0 -73.7 -22.7 18.4 2.8 34.8 116 27 B H T 3 S+ 0 0 45 -6,-0.1 43,-0.4 2,-0.0 2,-0.3 0.290 104.4 61.8-106.7 8.1 16.7 5.1 32.2 117 28 B T S < S- 0 0 23 -3,-0.6 2,-0.5 -8,-0.5 41,-0.2 -0.957 78.0-118.5-133.3 153.5 16.1 8.3 34.2 118 29 B L B -B 157 0B 1 39,-2.9 39,-2.3 -2,-0.3 -9,-0.1 -0.805 21.2-149.8 -97.1 125.2 18.5 10.7 35.8 119 30 B S > - 0 0 12 -2,-0.5 4,-2.8 37,-0.2 5,-0.3 -0.323 38.1 -97.5 -79.0 172.0 18.4 11.3 39.6 120 31 B K H > S+ 0 0 62 35,-0.4 4,-1.8 1,-0.2 5,-0.2 0.877 128.1 49.1 -57.8 -38.1 19.3 14.7 41.0 121 32 B K H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 112.5 45.1 -67.6 -47.5 22.7 13.2 41.7 122 33 B E H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.892 114.3 48.5 -64.2 -43.9 23.3 11.7 38.2 123 34 B L H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.881 110.3 51.0 -66.0 -39.2 22.1 14.9 36.4 124 35 B K H X S+ 0 0 60 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.921 112.1 47.6 -64.7 -40.9 24.3 17.1 38.5 125 36 B E H X S+ 0 0 35 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.925 109.6 52.9 -64.8 -43.3 27.2 14.9 37.7 126 37 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.939 112.9 45.3 -55.8 -48.9 26.3 14.9 34.0 127 38 B I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 7,-0.3 0.913 113.8 47.1 -62.5 -47.9 26.2 18.7 34.0 128 39 B Q H < S+ 0 0 78 -4,-2.6 7,-0.5 6,-0.3 -1,-0.2 0.806 123.4 34.1 -67.6 -28.0 29.5 19.2 36.0 129 40 B K H < S+ 0 0 114 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.736 127.5 31.8 -99.6 -25.8 31.4 16.7 33.8 130 41 B E H < S+ 0 0 10 -4,-2.8 -126,-1.6 -5,-0.3 -125,-0.7 0.622 100.4 77.7-109.2 -17.7 29.9 17.1 30.3 131 42 B L S >X S- 0 0 13 -4,-1.6 3,-1.4 -5,-0.4 4,-0.6 -0.850 76.2-135.0 -97.4 126.7 28.9 20.8 30.1 132 43 B T T 34 S+ 0 0 55 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.884 106.6 29.8 -44.0 -50.9 31.8 23.1 29.5 133 44 B I T >> S+ 0 0 82 1,-0.2 3,-1.7 2,-0.1 4,-0.5 0.447 93.7 104.1 -92.4 0.4 30.7 25.6 32.1 134 45 B G G X4 S+ 0 0 0 -3,-1.4 3,-1.4 -7,-0.3 -6,-0.3 0.868 74.9 52.5 -48.6 -50.5 29.0 23.0 34.3 135 46 B S G 3< S+ 0 0 79 -4,-0.6 -1,-0.3 -7,-0.5 -2,-0.1 0.618 108.8 53.4 -65.6 -12.0 31.7 22.8 37.1 136 47 B K G <4 S+ 0 0 152 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.473 83.6 106.1-102.2 -3.7 31.6 26.6 37.5 137 48 B L S << S- 0 0 60 -3,-1.4 2,-0.0 -4,-0.5 5,-0.0 -0.476 79.9-102.3 -77.6 147.2 27.9 27.0 38.1 138 49 B Q > - 0 0 138 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.358 26.4-123.2 -63.9 147.6 26.5 27.8 41.5 139 50 B D H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 113.1 54.9 -60.1 -39.3 25.0 24.7 43.3 140 51 B A H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 107.7 48.8 -63.1 -37.1 21.8 26.6 43.7 141 52 B E H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 109.7 50.5 -72.3 -35.8 21.6 27.3 40.0 142 53 B I H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.919 111.1 50.8 -65.9 -40.6 22.2 23.7 39.0 143 54 B A H X S+ 0 0 48 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 110.3 48.1 -63.9 -39.1 19.5 22.8 41.5 144 55 B R H X S+ 0 0 140 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.924 111.4 51.6 -67.3 -41.8 17.1 25.3 39.9 145 56 B L H X S+ 0 0 51 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.945 112.2 44.6 -58.6 -51.4 18.0 24.0 36.4 146 57 B M H X S+ 0 0 12 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.897 111.1 55.2 -62.6 -38.9 17.3 20.4 37.4 147 58 B E H < S+ 0 0 69 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.929 109.4 45.8 -59.6 -46.8 14.1 21.3 39.1 148 59 B D H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.812 107.9 56.6 -68.1 -30.5 12.7 23.0 36.0 149 60 B L H < S+ 0 0 9 -4,-1.8 2,-1.7 -5,-0.2 -1,-0.2 0.758 90.5 79.2 -71.5 -24.7 13.7 20.2 33.8 150 61 B D >< + 0 0 0 -4,-1.2 3,-0.8 -3,-0.5 -1,-0.2 -0.616 59.8 169.7 -85.8 81.4 11.6 17.8 36.0 151 62 B R T 3 S+ 0 0 149 -2,-1.7 -1,-0.2 1,-0.2 6,-0.1 0.809 73.6 42.9 -64.2 -35.7 8.2 18.7 34.5 152 63 B N T 3 S- 0 0 93 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.416 103.9-128.4 -94.2 2.5 6.2 16.0 36.2 153 64 B K < + 0 0 98 -3,-0.8 -2,-0.1 -6,-0.2 4,-0.1 0.845 66.9 131.7 55.0 44.4 7.9 16.4 39.5 154 65 B D S S- 0 0 75 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.301 78.3-114.2-102.3 9.3 8.9 12.8 40.1 155 66 B Q S S+ 0 0 92 1,-0.2 -35,-0.4 -5,-0.1 2,-0.3 0.511 87.1 100.5 71.0 9.4 12.4 14.0 41.0 156 67 B E - 0 0 46 -37,-0.1 2,-0.6 -36,-0.1 -2,-0.4 -0.899 65.5-142.9-121.3 150.2 13.8 12.2 37.9 157 68 B V B -B 118 0B 6 -39,-2.3 -39,-2.9 -2,-0.3 -7,-0.1 -0.947 25.3-165.6-113.4 107.7 14.7 13.6 34.5 158 69 B N > - 0 0 40 -2,-0.6 4,-1.9 -41,-0.2 -41,-0.1 -0.143 39.4 -86.6 -80.7-175.0 13.8 11.1 31.9 159 70 B F H > S+ 0 0 11 -43,-0.4 4,-2.2 1,-0.2 5,-0.1 0.889 126.7 51.8 -64.0 -39.8 14.9 11.2 28.3 160 71 B Q H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 110.8 48.0 -64.4 -39.1 12.2 13.5 27.0 161 72 B E H > S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.866 110.1 54.0 -69.3 -31.5 12.9 16.0 29.8 162 73 B Y H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.873 102.7 56.7 -67.1 -37.7 16.6 15.6 28.8 163 74 B V H X S+ 0 0 26 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.875 101.8 56.4 -62.4 -35.1 15.8 16.5 25.2 164 75 B T H X S+ 0 0 62 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.917 107.1 49.6 -61.7 -40.8 14.2 19.7 26.5 165 76 B F H X S+ 0 0 8 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.928 109.3 50.8 -62.3 -46.8 17.6 20.5 28.1 166 77 B L H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 109.6 51.3 -58.5 -42.7 19.4 19.8 24.8 167 78 B G H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.867 108.0 51.8 -63.4 -36.4 17.0 22.1 23.0 168 79 B A H X S+ 0 0 44 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.905 109.7 49.5 -66.2 -41.4 17.7 24.9 25.6 169 80 B L H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 110.6 50.5 -63.3 -41.8 21.4 24.5 25.1 170 81 B A H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.902 108.9 50.8 -64.3 -42.2 21.0 24.7 21.3 171 82 B L H X S+ 0 0 55 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.904 108.6 53.5 -62.9 -40.2 18.9 27.8 21.5 172 83 B I H X S+ 0 0 106 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.954 111.8 42.9 -60.0 -51.4 21.5 29.4 23.7 173 84 B Y H X S+ 0 0 82 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.926 114.5 51.3 -62.6 -42.5 24.3 28.8 21.2 174 85 B N H X S+ 0 0 3 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.896 108.5 51.2 -61.8 -41.4 22.2 29.8 18.2 175 86 B E H < S+ 0 0 125 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.869 107.8 52.6 -65.1 -36.4 21.2 33.1 19.9 176 87 B A H >< S+ 0 0 73 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.931 106.6 52.8 -66.1 -43.0 24.8 34.0 20.6 177 88 B L H 3< S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.714 100.5 62.0 -65.9 -20.8 25.8 33.5 17.0 178 89 B K T 3< 0 0 88 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.459 360.0 360.0 -84.9 0.3 23.1 35.8 15.7 179 90 B G < 0 0 127 -3,-1.6 -3,-0.1 -4,-0.2 -2,-0.1 0.812 360.0 360.0 44.5 360.0 24.6 38.7 17.6