==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-JUN-07 2Q91 . COMPND 2 MOLECULE: S100A4 METASTASIS FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.N.MALASHKEVICH,D.KNIGHT,U.A.RAMAGOPAL,S.C.ALMO, . 192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 76.0 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 3.1 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 . 1 0.5 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 . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 0 0 0 0 0 0 4 0 0 0 0 1 3 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 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 2 A A 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 -4.7 15.8 16.0 2 3 A C >> + 0 0 22 1,-0.1 4,-1.8 136,-0.0 3,-0.7 -0.751 360.0 177.2-122.3 80.9 -1.7 18.2 15.3 3 4 A P H 3> S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.768 78.4 59.0 -53.3 -32.1 -3.2 21.8 15.5 4 5 A L H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 104.8 48.2 -70.1 -38.8 0.2 23.4 14.9 5 6 A E H <> S+ 0 0 32 -3,-0.7 4,-2.1 132,-0.5 -1,-0.2 0.918 112.6 49.4 -64.7 -38.8 0.7 21.6 11.6 6 7 A K H X S+ 0 0 115 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.893 109.3 53.6 -67.5 -35.8 -2.9 22.7 10.6 7 8 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.925 108.1 48.3 -64.1 -45.6 -2.0 26.3 11.6 8 9 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 109.4 54.2 -61.9 -41.1 1.1 26.3 9.4 9 10 A D H X S+ 0 0 94 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.917 109.5 47.5 -57.4 -42.6 -1.0 25.0 6.5 10 11 A V H X S+ 0 0 40 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.866 107.9 55.6 -70.4 -35.8 -3.5 27.9 7.0 11 12 A M H X S+ 0 0 5 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.944 113.1 41.8 -62.5 -42.4 -0.6 30.4 7.2 12 13 A V H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 3,-0.2 0.958 117.3 44.7 -67.1 -51.7 0.6 29.3 3.8 13 14 A S H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.862 107.6 58.0 -65.3 -36.2 -2.7 28.9 2.0 14 15 A T H X S+ 0 0 5 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.891 103.0 54.5 -63.7 -36.5 -4.1 32.2 3.3 15 16 A F H >X S+ 0 0 1 -4,-1.2 4,-2.8 -5,-0.3 3,-0.8 0.936 112.0 43.6 -58.1 -49.4 -1.1 34.1 1.7 16 17 A H H 3X S+ 0 0 22 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.797 98.5 72.0 -71.0 -26.1 -1.9 32.5 -1.7 17 18 A K H 3< S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 119.1 18.8 -55.5 -32.7 -5.6 33.1 -1.3 18 19 A Y H X< S+ 0 0 6 -4,-0.9 3,-1.7 -3,-0.8 4,-0.4 0.758 115.6 65.2-108.1 -30.5 -4.8 36.8 -1.9 19 20 A S H 3< S+ 0 0 0 -4,-2.8 8,-0.5 1,-0.3 3,-0.4 0.740 99.3 56.7 -72.7 -22.0 -1.4 36.9 -3.5 20 21 A G T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 1,-0.2 5,-0.1 0.407 83.3 85.2 -88.9 2.1 -2.6 35.2 -6.7 21 22 A K S < S+ 0 0 104 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.883 99.8 12.6 -72.0 -37.5 -5.4 37.7 -7.4 22 23 A E S S- 0 0 94 -3,-0.4 5,-0.2 -4,-0.4 -1,-0.2 -0.983 109.4 -31.2-141.5 143.5 -3.2 40.2 -9.3 23 24 A G S S+ 0 0 75 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.107 116.1 29.5 58.2-142.4 0.3 40.5 -10.9 24 25 A D S > S- 0 0 66 1,-0.2 3,-1.2 2,-0.1 -2,-0.3 -0.312 72.1-150.5 -53.4 123.2 3.1 38.5 -9.3 25 26 A K T 3 S+ 0 0 88 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.592 91.6 56.1 -81.0 -4.8 1.2 35.5 -7.9 26 27 A F T 3 S+ 0 0 63 -6,-0.1 45,-0.6 -7,-0.0 2,-0.3 0.231 103.2 59.9-107.6 7.8 3.9 35.2 -5.1 27 28 A K E < S-A 70 0A 52 -3,-1.2 2,-0.6 -8,-0.5 43,-0.2 -0.983 74.5-128.8-138.1 148.6 3.6 38.7 -3.7 28 29 A L E -A 69 0A 1 41,-2.9 41,-2.6 -2,-0.3 -9,-0.1 -0.872 23.4-160.4 -94.6 122.6 0.8 40.8 -2.2 29 30 A N > - 0 0 30 -2,-0.6 4,-3.0 39,-0.2 5,-0.2 -0.240 42.9 -85.7 -84.6-175.6 0.3 44.2 -3.7 30 31 A K H > S+ 0 0 76 37,-0.3 4,-2.5 1,-0.2 5,-0.2 0.928 129.2 49.3 -58.5 -42.9 -1.5 47.0 -1.9 31 32 A S H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 115.1 43.2 -63.5 -46.3 -4.9 45.9 -3.1 32 33 A E H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 111.8 53.5 -70.2 -40.7 -4.3 42.3 -2.1 33 34 A L H X S+ 0 0 4 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.927 107.9 52.2 -57.7 -44.2 -2.7 43.2 1.2 34 35 A K H X S+ 0 0 52 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.934 111.2 46.3 -56.9 -44.6 -5.8 45.3 2.1 35 36 A E H X S+ 0 0 43 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.928 112.6 50.0 -66.1 -45.9 -8.1 42.4 1.3 36 37 A L H X>S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.8 0.947 114.4 43.9 -56.7 -50.5 -6.0 40.0 3.4 37 38 A L H X5S+ 0 0 3 -4,-2.8 4,-1.5 3,-0.2 7,-0.2 0.940 117.2 45.7 -62.0 -47.6 -5.9 42.3 6.4 38 39 A T H <5S+ 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.883 123.7 31.0 -65.4 -41.9 -9.5 43.2 6.3 39 40 A R H <5S+ 0 0 132 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.834 133.1 26.6 -87.8 -30.9 -10.9 39.7 5.8 40 41 A E H <5S+ 0 0 9 -4,-2.6 62,-0.5 -5,-0.4 -3,-0.2 0.704 130.4 27.0-112.2 -26.1 -8.4 37.6 7.6 41 42 A L >X< + 0 0 2 -4,-1.5 3,-1.8 -5,-0.8 4,-0.7 -0.316 64.3 150.3-129.9 53.5 -6.8 39.7 10.3 42 43 A P H 3> + 0 0 52 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.801 69.5 64.0 -61.1 -28.0 -9.5 42.3 11.2 43 44 A S H 34 S+ 0 0 95 1,-0.2 4,-0.1 2,-0.2 -5,-0.1 0.728 94.1 63.2 -64.4 -25.1 -8.2 42.5 14.8 44 45 A F H <4 S+ 0 0 75 -3,-1.8 -1,-0.2 -7,-0.2 4,-0.1 0.984 117.6 19.1 -69.2 -62.2 -4.8 43.9 13.7 45 46 A L H >< S+ 0 0 30 -4,-0.7 3,-2.6 1,-0.2 2,-0.2 0.763 85.8 176.5 -83.8 -19.5 -5.8 47.2 12.1 46 47 A G T 3< S- 0 0 44 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.393 74.6 -4.2 57.2-120.4 -9.2 47.3 13.8 47 48 A K T 3 S+ 0 0 201 -2,-0.2 2,-1.9 1,-0.2 -1,-0.3 0.555 112.7 97.7 -78.3 -8.5 -10.7 50.7 12.8 48 49 A R < + 0 0 130 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.373 35.6 128.2 -87.2 66.4 -7.6 51.8 10.9 49 50 A T + 0 0 77 -2,-1.9 -1,-0.2 4,-0.1 -2,-0.1 0.191 38.8 117.1-103.4 17.6 -8.6 50.8 7.3 50 51 A D S > S- 0 0 62 -3,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.297 80.9-104.3 -79.1 165.1 -7.8 54.3 5.8 51 52 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.848 118.2 58.2 -59.5 -34.6 -5.1 54.8 3.1 52 53 A A H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 108.1 46.4 -64.3 -43.8 -2.6 56.3 5.6 53 54 A A H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 113.2 48.8 -63.7 -44.6 -2.7 53.2 7.7 54 55 A F H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.852 111.8 48.3 -66.7 -34.8 -2.3 50.8 4.7 55 56 A Q H X S+ 0 0 83 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.904 111.3 50.5 -71.8 -36.1 0.6 52.8 3.3 56 57 A K H X S+ 0 0 109 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.916 112.2 47.8 -62.1 -44.3 2.3 52.8 6.7 57 58 A L H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.944 111.1 49.9 -63.6 -45.6 1.7 49.0 6.9 58 59 A M H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.928 111.9 48.9 -58.5 -45.8 3.1 48.4 3.4 59 60 A S H < S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.9 47.6 -60.2 -40.5 6.1 50.5 4.3 60 61 A N H < S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 119.5 38.3 -68.2 -35.6 6.7 48.6 7.5 61 62 A L H < S+ 0 0 17 -4,-2.3 2,-2.1 1,-0.2 3,-0.2 0.762 96.2 80.6 -87.0 -32.2 6.3 45.1 5.9 62 63 A D >< + 0 0 13 -4,-2.6 3,-1.8 -5,-0.3 5,-0.2 -0.446 52.4 164.5 -82.7 71.8 8.1 45.7 2.6 63 64 A S T 3 S+ 0 0 92 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.807 73.3 49.3 -59.6 -37.7 11.7 45.3 3.9 64 65 A N T 3 S- 0 0 87 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.347 105.5-126.9 -87.8 4.8 13.2 45.0 0.4 65 66 A R < + 0 0 222 -3,-1.8 -2,-0.1 -6,-0.1 -3,-0.1 0.777 68.4 130.2 59.6 35.1 11.5 48.0 -1.0 66 67 A D S S- 0 0 44 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.268 77.5-112.5-101.8 11.9 9.9 46.4 -4.0 67 68 A N S S+ 0 0 126 -5,-0.2 2,-0.3 1,-0.2 -37,-0.3 0.505 88.6 77.6 74.0 9.8 6.4 47.8 -3.2 68 69 A E S S- 0 0 45 -39,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.936 77.9-117.0-141.8 165.1 4.9 44.4 -2.4 69 70 A V E -A 28 0A 0 -41,-2.6 -41,-2.9 -2,-0.3 -7,-0.1 -0.907 30.0-164.2-108.4 117.7 4.9 41.8 0.4 70 71 A D E > -A 27 0A 33 -2,-0.6 4,-2.3 -43,-0.2 5,-0.2 -0.301 38.9 -91.3 -91.2-178.4 6.4 38.5 -0.4 71 72 A F H > S+ 0 0 14 -45,-0.6 4,-2.4 1,-0.2 5,-0.2 0.903 125.2 50.2 -62.5 -42.4 6.0 35.3 1.7 72 73 A Q H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 112.3 46.8 -61.3 -44.5 9.1 35.9 3.8 73 74 A E H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 110.8 54.3 -63.7 -35.3 8.0 39.5 4.7 74 75 A Y H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.899 106.7 50.5 -65.2 -41.6 4.5 38.1 5.4 75 76 A C H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.892 108.4 52.2 -66.8 -37.2 5.9 35.5 7.9 76 77 A V H X S+ 0 0 80 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.939 110.9 49.1 -59.0 -42.9 7.9 38.3 9.7 77 78 A F H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.955 111.6 46.9 -60.2 -52.8 4.6 40.2 9.9 78 79 A L H X S+ 0 0 3 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.894 110.1 54.4 -59.4 -37.2 2.6 37.2 11.3 79 80 A S H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.908 106.8 51.3 -62.5 -40.3 5.5 36.6 13.8 80 81 A C H X S+ 0 0 55 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.925 110.8 47.6 -60.8 -44.4 5.2 40.2 15.0 81 82 A I H X S+ 0 0 14 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.956 111.2 51.1 -63.0 -45.6 1.4 39.7 15.5 82 83 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.901 107.5 53.4 -58.7 -40.1 2.0 36.5 17.4 83 84 A M H X S+ 0 0 51 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.898 110.4 47.7 -63.1 -37.8 4.6 38.2 19.6 84 85 A M H >X S+ 0 0 96 -4,-2.0 3,-0.6 2,-0.2 4,-0.5 0.953 111.9 48.2 -69.6 -46.1 2.0 40.8 20.5 85 86 A C H >< S+ 0 0 45 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.889 105.6 61.0 -53.2 -40.8 -0.7 38.2 21.2 86 87 A N H >< S+ 0 0 23 -4,-2.5 3,-1.4 1,-0.3 4,-0.3 0.832 94.2 62.0 -60.7 -35.0 1.8 36.4 23.3 87 88 A E H << S+ 0 0 85 -4,-1.2 7,-0.6 -3,-0.6 -1,-0.3 0.732 109.0 42.5 -61.2 -23.3 2.1 39.4 25.7 88 89 A F T X< S+ 0 0 128 -3,-1.6 3,-1.9 -4,-0.5 -1,-0.2 0.144 75.5 117.4-108.7 19.2 -1.6 39.0 26.6 89 90 A F T < S+ 0 0 92 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.894 81.0 46.2 -56.2 -39.9 -1.6 35.2 26.9 90 91 A E T 3 S- 0 0 130 2,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.527 120.6-106.3 -79.7 -6.7 -2.6 35.6 30.6 91 92 A G S < S+ 0 0 67 -3,-1.9 -2,-0.1 1,-0.2 -3,-0.1 0.509 100.9 56.3 90.4 3.2 -5.3 38.2 29.9 92 93 A F S S- 0 0 103 -5,-0.2 2,-1.7 2,-0.0 -2,-0.4 -0.956 103.1 -87.6-154.1 157.8 -3.0 40.9 31.4 93 94 A P > - 0 0 68 0, 0.0 3,-1.3 0, 0.0 2,-1.1 -0.507 40.5-170.0 -69.0 86.5 0.5 42.1 30.6 94 95 A D T 3 + 0 0 88 -2,-1.7 -5,-0.1 -7,-0.6 -4,-0.1 -0.734 69.3 81.5 -81.2 104.9 2.6 39.8 32.8 95 96 A K T 3 0 0 166 -2,-1.1 -1,-0.2 1,-0.8 -8,-0.0 -0.019 360.0 360.0 177.3 -51.1 5.9 41.6 32.4 96 97 A Q < 0 0 212 -3,-1.3 -1,-0.8 0, 0.0 0, 0.0 -0.536 360.0 360.0-136.8 360.0 4.9 44.1 35.0 97 !* 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 98 2 B A 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.0 -12.9 33.2 14.5 99 3 B C >> - 0 0 32 1,-0.1 4,-2.0 -59,-0.1 3,-0.6 -0.558 360.0-122.8 -64.4 130.1 -11.1 34.0 11.3 100 4 B P H 3> S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.795 107.8 51.6 -56.3 -35.4 -8.9 31.0 10.5 101 5 B L H 3> S+ 0 0 0 2,-0.2 4,-2.1 -61,-0.2 5,-0.1 0.879 109.5 50.3 -69.4 -35.8 -5.6 32.9 10.4 102 6 B E H <> S+ 0 0 33 -3,-0.6 4,-1.9 -62,-0.5 -1,-0.2 0.925 110.6 49.4 -65.2 -43.2 -6.3 34.5 13.7 103 7 B K H X S+ 0 0 120 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.900 108.0 55.2 -60.3 -41.9 -7.0 31.1 15.2 104 8 B A H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.912 106.9 49.8 -56.3 -45.6 -3.7 29.8 13.7 105 9 B L H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 108.3 53.3 -60.7 -41.5 -1.8 32.6 15.5 106 10 B D H X S+ 0 0 97 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.890 108.4 50.2 -60.9 -37.9 -3.6 31.6 18.8 107 11 B V H X S+ 0 0 34 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.902 107.5 53.8 -66.6 -40.8 -2.4 28.0 18.2 108 12 B M H X S+ 0 0 3 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.927 113.8 43.0 -56.9 -44.9 1.2 29.2 17.6 109 13 B V H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 3,-0.2 0.956 115.6 45.5 -66.9 -52.1 1.1 31.1 20.9 110 14 B S H X S+ 0 0 51 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.859 108.3 56.8 -64.1 -36.9 -0.6 28.4 23.1 111 15 B T H X S+ 0 0 6 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.900 104.1 53.5 -66.2 -36.4 1.5 25.6 21.8 112 16 B F H >X S+ 0 0 1 -4,-1.3 4,-2.9 -5,-0.2 3,-0.8 0.945 112.3 44.3 -59.0 -48.6 4.8 27.4 22.9 113 17 B H H 3X S+ 0 0 32 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.792 99.8 69.8 -70.3 -30.8 3.4 27.8 26.4 114 18 B K H 3< S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.848 119.8 18.6 -50.4 -35.0 2.2 24.2 26.5 115 19 B Y H X< S+ 0 0 0 -4,-0.9 3,-1.5 -3,-0.8 4,-0.4 0.731 115.6 64.7-108.3 -33.9 5.9 23.1 26.6 116 20 B S H 3< S+ 0 0 0 -4,-2.9 8,-0.5 1,-0.3 3,-0.4 0.807 100.0 56.5 -66.1 -25.5 7.9 26.2 27.7 117 21 B G T 3< S+ 0 0 18 -4,-1.3 -1,-0.3 -5,-0.2 5,-0.1 0.465 84.9 83.8 -83.8 -2.6 6.3 26.2 31.1 118 22 B K S < S+ 0 0 98 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.872 98.4 14.3 -70.0 -35.6 7.2 22.6 32.0 119 23 B E S S- 0 0 86 -3,-0.4 5,-0.2 -4,-0.4 -1,-0.2 -0.988 110.0 -31.2-144.6 142.9 10.8 23.2 33.3 120 24 B G S S+ 0 0 70 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.145 118.3 31.2 57.2-137.9 13.0 26.1 34.4 121 25 B D S > S- 0 0 55 1,-0.2 3,-1.1 2,-0.1 -2,-0.3 -0.365 72.7-151.3 -53.7 121.8 12.4 29.4 32.7 122 26 B K T 3 S+ 0 0 124 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.1 0.578 91.1 54.2 -79.8 -6.5 8.7 29.2 31.9 123 27 B F T 3 S+ 0 0 112 -6,-0.1 45,-0.5 -7,-0.0 2,-0.3 0.268 104.0 57.0-111.1 8.5 9.1 31.5 28.9 124 28 B K E < S-B 167 0B 51 -3,-1.1 2,-0.6 -8,-0.5 43,-0.2 -0.984 75.3-123.7-139.3 152.6 11.8 29.5 27.0 125 29 B L E -B 166 0B 0 41,-2.8 41,-2.3 -2,-0.3 -9,-0.1 -0.823 23.4-161.3 -94.0 122.4 12.1 26.0 25.7 126 30 B N > - 0 0 31 -2,-0.6 4,-2.6 39,-0.2 5,-0.2 -0.274 44.1 -84.8 -84.0-177.1 15.1 23.9 26.9 127 31 B K H > S+ 0 0 46 37,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 129.4 47.6 -56.2 -46.9 16.3 20.8 25.0 128 32 B S H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 114.1 46.2 -64.6 -42.0 13.8 18.5 26.7 129 33 B E H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 111.2 51.6 -65.8 -41.2 10.8 20.8 26.1 130 34 B L H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.928 108.5 53.2 -63.1 -39.2 11.8 21.4 22.5 131 35 B K H X S+ 0 0 43 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.906 110.5 45.9 -59.8 -46.4 12.0 17.6 21.9 132 36 B E H X S+ 0 0 67 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.932 114.0 48.5 -64.7 -45.0 8.5 17.1 23.3 133 37 B L H X>S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.8 0.952 115.3 43.3 -58.7 -53.2 7.1 20.0 21.3 134 38 B L H X5S+ 0 0 2 -4,-2.7 4,-1.6 3,-0.2 7,-0.2 0.952 118.0 47.0 -58.5 -51.2 8.7 18.9 18.0 135 39 B T H <5S+ 0 0 74 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.888 123.3 29.4 -59.3 -44.7 7.8 15.2 18.6 136 40 B R H <5S+ 0 0 122 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.757 133.5 27.0 -87.9 -30.3 4.1 15.8 19.6 137 41 B E H <5S+ 0 0 8 -4,-2.8 -132,-0.5 -5,-0.4 -3,-0.2 0.709 131.3 27.1-112.7 -28.5 3.2 18.9 17.6 138 42 B L >X< + 0 0 2 -4,-1.6 3,-1.8 -5,-0.8 4,-0.7 -0.287 67.1 147.8-129.5 48.0 5.4 19.0 14.6 139 43 B P H 3> + 0 0 55 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.822 69.6 62.1 -61.6 -27.4 6.2 15.3 14.0 140 44 B S H 34 S+ 0 0 93 1,-0.2 4,-0.1 2,-0.2 -5,-0.1 0.737 96.3 64.5 -64.2 -24.2 6.4 15.8 10.2 141 45 B F H <4 S+ 0 0 67 -3,-1.8 -1,-0.2 -7,-0.2 4,-0.1 0.983 115.1 21.5 -64.7 -63.3 9.4 18.2 10.6 142 46 B L H >< S+ 0 0 28 -4,-0.7 3,-2.5 1,-0.2 2,-0.2 0.745 86.9 178.7 -82.1 -20.6 12.1 16.0 12.1 143 47 B G T 3< S- 0 0 44 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.393 73.4 -9.1 58.7-123.2 10.5 12.8 10.8 144 48 B K T 3 S+ 0 0 204 -2,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.510 113.2 98.0 -83.0 -7.0 12.8 9.9 11.8 145 49 B R < + 0 0 132 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.489 36.0 128.1 -88.8 70.7 15.6 12.3 13.1 146 50 B T + 0 0 76 -2,-1.8 -1,-0.2 4,-0.1 -3,-0.1 0.195 38.8 119.0-108.0 14.8 14.7 12.2 16.8 147 51 B D S > S- 0 0 60 -3,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.250 79.9-103.4 -75.5 168.0 18.2 11.3 17.9 148 52 B E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.843 119.1 55.4 -62.7 -38.8 20.4 13.4 20.1 149 53 B A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 107.6 49.4 -61.3 -42.6 22.6 14.7 17.3 150 54 B A H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.925 112.1 48.6 -62.6 -42.9 19.5 16.0 15.4 151 55 B F H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.875 110.4 50.5 -69.2 -34.9 18.2 17.8 18.5 152 56 B Q H X S+ 0 0 97 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.915 111.8 47.4 -68.0 -41.4 21.5 19.4 19.3 153 57 B K H X S+ 0 0 126 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 112.8 49.4 -63.9 -43.8 21.8 20.7 15.7 154 58 B L H X S+ 0 0 13 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.946 111.0 49.7 -60.5 -46.6 18.2 22.0 15.9 155 59 B M H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.940 111.9 46.7 -59.5 -47.2 18.8 23.7 19.2 156 60 B S H < S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.7 51.6 -65.8 -31.3 22.0 25.5 18.0 157 61 B N H < S+ 0 0 94 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.876 117.4 37.7 -66.8 -39.8 20.2 26.5 14.8 158 62 B L H < S+ 0 0 20 -4,-2.4 2,-2.1 1,-0.2 3,-0.2 0.770 98.5 78.7 -82.1 -30.5 17.2 28.0 16.7 159 63 B D >< + 0 0 11 -4,-2.5 3,-1.4 -5,-0.2 5,-0.2 -0.491 52.2 162.0 -85.4 73.7 19.1 29.5 19.6 160 64 B S T 3 S+ 0 0 97 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.780 71.9 52.6 -70.5 -23.2 20.3 32.6 17.8 161 65 B N T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.398 105.0-128.9 -91.2 3.0 21.1 34.6 21.0 162 66 B R < + 0 0 218 -3,-1.4 -2,-0.1 -6,-0.1 -6,-0.0 0.813 68.5 129.2 58.2 40.7 23.2 31.6 22.3 163 67 B D S S- 0 0 56 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.241 78.2-112.9-105.5 12.1 21.6 31.4 25.7 164 68 B N S S+ 0 0 126 -5,-0.2 2,-0.3 1,-0.2 -37,-0.2 0.454 88.0 77.0 73.4 6.3 21.0 27.7 25.3 165 69 B E S S- 0 0 44 -39,-0.1 2,-0.6 -7,-0.0 -2,-0.4 -0.895 78.1-116.1-136.8 168.8 17.2 27.9 25.1 166 70 B V E -B 125 0B 1 -41,-2.3 -41,-2.8 -2,-0.3 -7,-0.1 -0.933 29.9-162.9-111.4 115.7 14.6 28.9 22.5 167 71 B D E > -B 124 0B 32 -2,-0.6 4,-2.3 -43,-0.2 5,-0.2 -0.294 38.4 -94.1 -91.0 178.8 12.4 32.0 23.3 168 72 B F H > S+ 0 0 14 -45,-0.5 4,-2.6 1,-0.2 5,-0.2 0.894 125.1 51.5 -65.3 -38.1 9.2 32.9 21.7 169 73 B Q H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 111.7 46.7 -60.3 -47.3 10.9 35.2 19.1 170 74 B E H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 110.9 53.8 -61.6 -35.2 13.3 32.4 18.1 171 75 B Y H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.911 106.3 51.9 -69.3 -38.0 10.3 30.0 18.0 172 76 B C H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.892 108.0 51.7 -64.4 -38.6 8.5 32.3 15.6 173 77 B V H X S+ 0 0 96 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.928 110.9 49.3 -59.9 -42.1 11.6 32.4 13.4 174 78 B F H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.950 111.1 46.9 -61.2 -51.0 11.5 28.6 13.4 175 79 B L H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.895 111.6 53.5 -59.4 -39.1 7.8 28.4 12.5 176 80 B S H X S+ 0 0 13 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.903 106.8 51.1 -61.8 -41.9 8.4 30.9 9.7 177 81 B C H X S+ 0 0 64 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 110.9 49.0 -60.6 -46.4 11.2 28.8 8.3 178 82 B I H X S+ 0 0 14 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.951 111.8 48.3 -55.9 -50.1 8.9 25.7 8.3 179 83 B A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.899 109.6 52.9 -60.2 -40.2 6.2 27.7 6.6 180 84 B M H X S+ 0 0 45 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.906 110.2 48.2 -62.9 -39.5 8.7 29.0 4.0 181 85 B M H >< S+ 0 0 88 -4,-2.3 3,-0.6 2,-0.2 4,-0.5 0.939 112.3 47.7 -65.7 -46.0 9.7 25.4 3.3 182 86 B C H >< S+ 0 0 51 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.907 107.2 59.4 -56.8 -41.3 6.1 24.2 2.9 183 87 B N H >< S+ 0 0 21 -4,-2.8 3,-1.6 1,-0.3 4,-0.3 0.815 90.7 67.9 -61.1 -31.1 5.5 27.2 0.7 184 88 B E T << S+ 0 0 83 -4,-1.2 7,-0.6 -3,-0.6 -1,-0.3 0.737 104.9 44.2 -59.2 -22.8 8.1 26.1 -1.8 185 89 B F T X S+ 0 0 142 -3,-1.6 3,-1.6 -4,-0.5 -1,-0.3 0.340 78.9 107.6-105.0 7.0 5.9 23.1 -2.7 186 90 B F T < S+ 0 0 97 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.844 82.1 45.9 -59.9 -39.1 2.6 24.9 -2.9 187 91 B E T 3 S- 0 0 80 2,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.523 115.3-110.8 -80.8 -6.5 2.4 24.6 -6.7 188 92 B G S < S+ 0 0 73 -3,-1.6 -2,-0.1 1,-0.2 -3,-0.1 0.501 95.6 57.9 87.3 0.9 3.4 20.9 -6.8 189 93 B F S S- 0 0 108 -5,-0.2 2,-0.9 2,-0.0 -2,-0.4 -0.951 101.5 -84.6-149.3 160.7 6.8 21.7 -8.4 190 94 B P - 0 0 76 0, 0.0 2,-0.9 0, 0.0 -5,-0.1 -0.566 43.4-172.8 -68.1 101.5 9.9 23.9 -7.5 191 95 B D + 0 0 63 -2,-0.9 -5,-0.1 -7,-0.6 -4,-0.0 -0.844 40.5 105.4-103.8 100.9 8.9 27.3 -8.7 192 96 B K 0 0 122 -2,-0.9 -1,-0.1 0, 0.0 -8,-0.0 0.487 360.0 360.0-135.4 -95.0 12.1 29.4 -8.2 193 97 B Q 0 0 208 -3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.539 360.0 360.0 -51.0 360.0 14.8 30.8 -10.4