==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-FEB-12 4DUQ . COMPND 2 MOLECULE: PROTEIN S100-A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KOCH,G.FRITZ . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 70.8 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 . 4 2.2 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 . 8 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 3 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 120 0, 0.0 129,-0.1 0, 0.0 128,-0.0 0.000 360.0 360.0 360.0 133.2 31.8 24.1 23.7 2 3 A S > - 0 0 20 127,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.168 360.0-105.0 -66.1 168.5 28.4 25.6 23.5 3 4 A S H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.896 123.4 51.2 -62.2 -38.2 25.6 23.9 21.7 4 5 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.910 109.3 49.4 -67.2 -42.3 26.0 26.3 18.8 5 6 A E H > S+ 0 0 13 124,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.890 109.1 52.4 -64.1 -38.8 29.7 25.7 18.6 6 7 A Q H X S+ 0 0 109 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.910 110.8 48.6 -62.1 -39.5 29.1 22.0 18.5 7 8 A A H X S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.922 109.6 50.6 -66.5 -42.9 26.7 22.5 15.7 8 9 A L H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.876 106.1 56.8 -60.8 -38.1 29.1 24.7 13.8 9 10 A A H X S+ 0 0 42 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.884 104.1 52.4 -60.9 -40.7 31.7 22.0 14.2 10 11 A V H X S+ 0 0 42 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.875 104.3 56.5 -65.2 -36.3 29.5 19.5 12.5 11 12 A L H X S+ 0 0 2 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.911 113.7 41.8 -56.7 -42.7 29.0 21.9 9.6 12 13 A V H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.956 115.8 46.2 -67.6 -54.3 32.8 21.9 9.2 13 14 A T H X S+ 0 0 65 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.855 107.8 58.2 -63.9 -33.8 33.4 18.2 9.8 14 15 A T H X S+ 0 0 2 -4,-2.6 4,-1.4 -5,-0.2 5,-0.2 0.917 103.7 52.3 -61.0 -42.9 30.6 17.2 7.4 15 16 A F H X S+ 0 0 1 -4,-1.2 4,-3.0 -5,-0.2 3,-0.4 0.955 113.5 43.0 -58.0 -49.6 32.2 19.0 4.5 16 17 A H H X S+ 0 0 18 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.834 103.9 65.0 -70.5 -30.2 35.5 17.3 5.1 17 18 A K H < S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 117.1 28.0 -56.4 -41.3 33.9 13.9 5.6 18 19 A Y H >< S+ 0 0 10 -4,-1.4 3,-1.4 -3,-0.4 4,-0.5 0.868 119.5 54.3 -87.9 -43.7 32.7 14.0 2.0 19 20 A S H 3< S+ 0 0 0 -4,-3.0 8,-0.5 1,-0.3 3,-0.3 0.805 102.6 58.4 -64.3 -32.1 35.4 16.2 0.4 20 21 A S T 3< S+ 0 0 70 -4,-2.2 -1,-0.3 -5,-0.2 5,-0.1 0.388 89.3 76.0 -83.3 3.3 38.2 14.0 1.6 21 22 A Q S < S+ 0 0 101 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.964 100.3 14.4 -75.6 -52.8 37.1 10.8 -0.1 22 23 A E S S- 0 0 98 -4,-0.5 5,-0.2 -3,-0.3 -1,-0.1 -0.799 110.3 -18.0-125.4 164.1 37.9 11.4 -3.8 23 24 A G S S+ 0 0 83 -2,-0.3 2,-0.4 2,-0.1 5,-0.0 -0.124 122.0 18.4 47.1-130.0 40.0 13.6 -5.9 24 25 A D S > S- 0 0 64 1,-0.2 3,-1.3 2,-0.1 -2,-0.2 -0.536 74.2-145.7 -71.7 124.2 41.0 16.9 -4.2 25 26 A K T 3 S+ 0 0 119 -2,-0.4 -1,-0.2 1,-0.3 -4,-0.1 0.652 95.2 51.2 -72.5 -12.5 40.6 16.2 -0.5 26 27 A F T 3 S+ 0 0 91 -6,-0.1 45,-0.5 -7,-0.0 2,-0.3 0.307 103.2 65.2-110.0 12.8 39.5 19.8 0.1 27 28 A K S < S- 0 0 51 -3,-1.3 2,-0.6 -8,-0.5 43,-0.2 -0.975 75.4-126.9-133.9 146.8 36.8 20.1 -2.5 28 29 A L B -A 69 0A 0 41,-2.9 41,-2.6 -2,-0.3 -9,-0.1 -0.821 24.7-154.0 -91.3 120.5 33.5 18.4 -3.0 29 30 A S > - 0 0 27 -2,-0.6 4,-2.8 39,-0.2 5,-0.2 -0.328 35.6 -97.8 -76.6 171.2 33.0 16.8 -6.4 30 31 A K H > S+ 0 0 78 37,-0.4 4,-2.1 1,-0.2 5,-0.1 0.887 127.2 49.5 -52.9 -47.1 29.6 16.2 -7.9 31 32 A G H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 110.1 48.1 -65.8 -40.0 29.7 12.7 -6.7 32 33 A E H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 112.1 50.6 -67.6 -38.0 30.7 13.6 -3.2 33 34 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.878 106.1 55.3 -62.0 -42.2 28.0 16.3 -3.1 34 35 A K H X S+ 0 0 92 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.923 110.8 45.6 -57.1 -45.8 25.5 13.7 -4.3 35 36 A E H X S+ 0 0 50 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.924 111.4 52.1 -62.3 -44.3 26.4 11.5 -1.3 36 37 A L H X>S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.7 0.942 112.1 46.3 -56.5 -48.8 26.3 14.4 1.1 37 38 A L H X5S+ 0 0 8 -4,-3.0 4,-1.7 3,-0.2 8,-0.3 0.935 115.0 44.9 -60.2 -52.8 22.8 15.4 -0.0 38 39 A H H <5S+ 0 0 84 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.901 125.2 31.4 -62.4 -40.4 21.4 11.8 0.1 39 40 A K H <5S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.821 131.5 29.9 -88.9 -31.7 22.9 10.9 3.5 40 41 A E H <5S+ 0 0 8 -4,-2.9 54,-0.5 -5,-0.4 -3,-0.2 0.678 127.9 33.0-104.0 -23.6 23.0 14.3 5.2 41 42 A L >X< + 0 0 0 -4,-1.7 3,-2.2 -5,-0.7 4,-1.7 -0.205 63.0 143.2-129.5 49.4 20.0 16.2 3.8 42 43 A P H 3> S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.814 72.1 62.8 -62.3 -28.6 17.4 13.5 3.0 43 44 A S H 34 S+ 0 0 98 1,-0.2 -2,-0.1 2,-0.2 -5,-0.1 0.767 109.7 41.7 -62.0 -23.3 14.7 15.9 4.1 44 45 A F H <4 S+ 0 0 67 -3,-2.2 -1,-0.2 -7,-0.2 -6,-0.1 0.772 131.6 18.5 -94.9 -31.9 15.7 18.2 1.1 45 46 A V H < S- 0 0 45 -4,-1.7 3,-0.4 -8,-0.3 5,-0.2 0.576 88.1-149.1-117.7 -12.7 16.3 15.6 -1.6 46 47 A G < - 0 0 36 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.1 -0.315 55.4 -38.2 66.0-159.1 14.6 12.4 -0.6 47 48 A E S S+ 0 0 174 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.714 128.5 48.4 -75.4 -30.1 15.8 8.9 -1.6 48 49 A K S S- 0 0 132 -3,-0.4 2,-0.7 -6,-0.1 -1,-0.1 -0.965 76.6-139.2-120.9 120.5 17.0 9.8 -5.1 49 50 A V - 0 0 15 -2,-0.5 2,-0.1 1,-0.1 -3,-0.1 -0.679 30.2-124.3 -75.3 112.8 19.2 12.8 -5.8 50 51 A D > - 0 0 78 -2,-0.7 4,-2.4 -5,-0.2 5,-0.2 -0.380 12.6-142.8 -64.2 127.4 17.8 14.3 -9.1 51 52 A E H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.890 96.9 46.4 -61.8 -43.4 20.6 14.5 -11.7 52 53 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 112.9 49.3 -67.6 -41.3 19.5 17.8 -13.3 53 54 A G H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.905 109.6 53.3 -62.0 -42.3 19.0 19.5 -9.9 54 55 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.920 108.0 50.0 -60.7 -41.6 22.4 18.3 -8.8 55 56 A K H X S+ 0 0 93 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.894 113.6 45.1 -62.1 -43.1 24.0 19.8 -11.9 56 57 A K H X S+ 0 0 150 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.902 112.9 51.0 -70.9 -37.9 22.3 23.1 -11.3 57 58 A L H X S+ 0 0 31 -4,-3.1 4,-1.9 1,-0.2 5,-0.2 0.950 113.5 45.2 -59.1 -54.7 23.2 23.1 -7.6 58 59 A M H X S+ 0 0 12 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.932 112.9 50.8 -54.7 -46.9 26.8 22.4 -8.4 59 60 A G H < S+ 0 0 52 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.857 110.2 48.4 -62.2 -35.8 26.9 25.0 -11.1 60 61 A S H < S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.779 117.1 42.6 -75.1 -28.7 25.4 27.7 -8.8 61 62 A L H < S+ 0 0 8 -4,-1.9 2,-1.8 -5,-0.2 -2,-0.2 0.804 95.7 82.4 -85.4 -31.9 27.9 26.9 -6.0 62 63 A D >< + 0 0 16 -4,-2.4 3,-1.4 -5,-0.2 5,-0.2 -0.513 51.2 167.5 -82.9 82.7 30.9 26.5 -8.2 63 64 A E T 3 S+ 0 0 162 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.642 74.4 46.9 -72.1 -25.6 31.9 30.1 -8.6 64 65 A N T 3 S- 0 0 91 4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.272 105.0-123.6 -98.0 7.2 35.4 29.4 -10.1 65 66 A S S < S+ 0 0 102 -3,-1.4 -2,-0.1 -6,-0.1 -6,-0.0 0.745 70.6 131.7 54.1 36.2 34.1 26.7 -12.6 66 67 A D S S- 0 0 37 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.335 77.0-117.0 -90.4 7.1 36.4 24.0 -11.3 67 68 A Q S S+ 0 0 157 -5,-0.2 -37,-0.4 1,-0.2 2,-0.3 0.540 85.5 89.7 71.0 9.7 33.5 21.6 -11.2 68 69 A Q S S- 0 0 43 -39,-0.1 2,-0.6 -38,-0.1 -2,-0.3 -0.897 74.4-123.8-134.3 165.3 33.9 21.3 -7.4 69 70 A V B -A 28 0A 0 -41,-2.6 -41,-2.9 -2,-0.3 2,-0.1 -0.940 25.6-163.7-114.1 111.6 32.7 23.1 -4.3 70 71 A D > - 0 0 41 -2,-0.6 4,-2.5 -43,-0.2 5,-0.2 -0.337 39.5 -95.6 -83.7 173.5 35.4 24.4 -2.0 71 72 A F H > S+ 0 0 9 -45,-0.5 4,-1.4 1,-0.2 -44,-0.1 0.923 125.1 51.9 -66.4 -33.8 34.7 25.3 1.6 72 73 A Q H > S+ 0 0 105 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.928 113.5 44.9 -63.8 -42.2 34.3 29.0 0.9 73 74 A E H >> S+ 0 0 16 1,-0.2 3,-0.9 2,-0.2 4,-0.9 0.889 108.2 57.9 -67.6 -39.5 31.8 28.1 -1.9 74 75 A Y H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.789 92.3 69.9 -60.6 -29.0 30.1 25.6 0.5 75 76 A A H 3X S+ 0 0 11 -4,-1.4 4,-2.2 -3,-0.4 -1,-0.2 0.850 95.4 54.5 -61.9 -33.5 29.4 28.5 3.0 76 77 A V H - 0 0 18 -51,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.200 360.0-105.8 -63.4 165.0 21.1 13.2 10.0 92 4 B S H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.889 124.0 49.3 -61.9 -38.3 24.0 14.8 12.0 93 5 B L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.933 110.9 48.0 -69.4 -43.1 23.9 17.7 9.6 94 6 B E H > S+ 0 0 20 -54,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.901 111.3 51.0 -62.9 -39.1 20.1 18.1 9.9 95 7 B Q H X S+ 0 0 111 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.899 110.7 49.8 -62.0 -41.3 20.4 18.0 13.7 96 8 B A H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.929 109.3 50.4 -64.1 -45.3 23.1 20.7 13.5 97 9 B L H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.900 106.5 56.0 -60.1 -39.1 21.0 22.9 11.3 98 10 B A H X S+ 0 0 48 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.879 104.7 52.8 -62.1 -33.2 18.1 22.6 13.7 99 11 B V H X S+ 0 0 42 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.897 106.4 52.7 -66.8 -39.2 20.4 23.8 16.5 100 12 B L H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.922 113.4 45.0 -61.8 -41.4 21.3 26.9 14.4 101 13 B V H X S+ 0 0 19 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.942 115.2 44.9 -67.9 -47.8 17.5 27.6 14.0 102 14 B T H X S+ 0 0 89 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.898 110.5 55.4 -68.9 -32.9 16.5 27.0 17.6 103 15 B T H X S+ 0 0 8 -4,-2.6 4,-1.5 1,-0.2 5,-0.3 0.920 105.8 51.8 -63.5 -43.8 19.4 29.1 18.9 104 16 B F H X S+ 0 0 0 -4,-1.6 4,-3.2 -5,-0.2 3,-0.4 0.955 113.0 43.1 -53.7 -54.1 18.4 32.0 16.8 105 17 B H H X S+ 0 0 46 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.836 105.2 63.7 -68.2 -30.6 14.8 32.0 18.1 106 18 B K H < S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.893 117.4 29.3 -56.1 -46.8 15.9 31.4 21.8 107 19 B Y H >< S+ 0 0 2 -4,-1.5 3,-1.3 -3,-0.4 4,-0.3 0.859 119.0 53.1 -83.1 -39.5 17.7 34.8 21.7 108 20 B S H 3< S+ 0 0 0 -4,-3.2 8,-0.5 -5,-0.3 3,-0.5 0.802 103.3 57.4 -68.6 -27.7 15.6 36.7 19.2 109 21 B S T 3< S+ 0 0 52 -4,-1.8 -1,-0.3 -5,-0.3 5,-0.1 0.426 80.7 92.6 -83.6 -2.8 12.3 36.0 21.0 110 22 B Q S < S- 0 0 78 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.909 100.1 -24.9 -58.9 -48.3 13.6 37.6 24.3 111 23 B E S S+ 0 0 126 -3,-0.5 -1,-0.2 -4,-0.3 7,-0.2 -0.962 107.6 16.1-160.3 172.8 12.2 41.0 23.5 112 24 B G S S+ 0 0 67 -2,-0.3 2,-0.2 -3,-0.1 5,-0.0 -0.212 119.9 12.8 59.5-143.3 11.2 43.5 21.0 113 25 B D S > S- 0 0 65 1,-0.2 3,-1.1 2,-0.1 -2,-0.3 -0.486 74.5-147.1 -62.0 123.5 10.6 41.9 17.6 114 26 B K T 3 S+ 0 0 114 -2,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.563 94.2 51.3 -74.5 -7.6 10.6 38.2 18.4 115 27 B F T 3 S+ 0 0 131 -6,-0.1 45,-0.5 -7,-0.1 2,-0.4 0.222 103.4 64.6-113.1 7.9 12.1 37.4 15.0 116 28 B K S < S- 0 0 52 -3,-1.1 2,-0.6 -8,-0.5 43,-0.2 -0.989 76.4-126.4-131.1 147.0 15.1 39.8 15.1 117 29 B L B -B 158 0B 0 41,-3.0 41,-2.5 -2,-0.4 -9,-0.1 -0.803 23.9-151.3 -87.9 119.0 18.1 40.0 17.4 118 30 B S > - 0 0 27 -2,-0.6 4,-2.9 39,-0.2 5,-0.2 -0.308 36.4 -96.7 -72.3 170.1 18.6 43.3 19.0 119 31 B K H > S+ 0 0 78 37,-0.3 4,-2.5 1,-0.2 5,-0.1 0.912 127.9 49.3 -53.6 -43.8 22.0 44.4 19.9 120 32 B G H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 110.5 48.0 -64.4 -44.2 21.4 43.2 23.4 121 33 B E H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 113.0 49.0 -62.5 -43.2 20.1 39.8 22.3 122 34 B M H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.903 106.7 56.3 -62.4 -38.4 23.1 39.4 20.0 123 35 B K H X S+ 0 0 96 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.920 111.0 44.0 -56.8 -48.6 25.5 40.4 22.8 124 36 B E H X S+ 0 0 54 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.905 112.0 52.5 -64.0 -44.1 24.1 37.6 24.9 125 37 B L H X>S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.8 0.940 112.0 46.3 -56.8 -46.9 24.1 35.1 22.0 126 38 B L H X5S+ 0 0 4 -4,-3.0 4,-1.7 3,-0.2 8,-0.3 0.950 114.9 47.4 -59.1 -47.5 27.7 35.9 21.4 127 39 B H H <5S+ 0 0 93 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.903 124.1 28.6 -63.6 -47.6 28.6 35.6 25.1 128 40 B K H <5S+ 0 0 112 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.789 132.5 29.2 -84.0 -33.8 26.9 32.4 25.8 129 41 B E H <5S+ 0 0 15 -4,-2.8 -124,-0.4 -5,-0.4 -3,-0.2 0.675 125.4 34.2-108.6 -22.1 27.0 30.6 22.4 130 42 B L >X< + 0 0 0 -4,-1.7 4,-2.8 -5,-0.8 3,-1.6 -0.171 63.4 136.9-129.9 47.9 30.1 31.8 20.6 131 43 B P H 3> S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.799 71.7 63.6 -63.8 -25.2 32.6 32.3 23.4 132 44 B S H 34 S+ 0 0 78 1,-0.2 -2,-0.1 -3,-0.2 4,-0.1 0.676 114.5 33.1 -72.6 -14.2 35.3 30.6 21.2 133 45 B F H <4 S+ 0 0 59 -3,-1.6 -1,-0.2 -7,-0.2 -7,-0.1 0.771 136.1 22.5-104.5 -40.8 34.8 33.5 18.7 134 46 B V H < S- 0 0 48 -4,-2.8 3,-0.3 -8,-0.3 2,-0.2 0.781 95.8-152.2 -92.7 -32.4 34.0 36.5 21.1 135 47 B G < - 0 0 26 -4,-1.4 -1,-0.2 -5,-0.5 -2,-0.1 -0.585 48.4 -32.5 95.9-159.5 35.6 35.2 24.3 136 48 B E S S+ 0 0 154 -2,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.821 128.8 38.5 -64.8 -46.3 34.6 36.0 27.8 137 49 B K S S- 0 0 112 -3,-0.3 2,-0.6 -6,-0.1 -1,-0.1 -0.966 76.0-135.2-110.4 132.2 33.5 39.5 27.2 138 50 B V - 0 0 16 -2,-0.5 2,-0.2 -15,-0.1 -3,-0.1 -0.802 34.8-127.8 -64.8 117.6 31.6 40.7 24.2 139 51 B D > - 0 0 77 -2,-0.6 4,-1.9 -5,-0.2 5,-0.1 -0.546 8.7-139.4 -67.3 138.1 33.6 44.0 23.5 140 52 B E H > S+ 0 0 67 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.932 101.1 43.4 -69.6 -43.8 31.2 47.0 23.2 141 53 B E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 116.0 49.2 -68.0 -42.3 33.0 48.7 20.2 142 54 B G H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.845 108.0 54.8 -63.5 -36.5 33.3 45.3 18.5 143 55 B L H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.920 109.1 46.7 -63.7 -44.5 29.7 44.6 19.1 144 56 B K H X S+ 0 0 105 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 113.0 49.4 -64.4 -38.5 28.7 47.8 17.4 145 57 B K H X S+ 0 0 166 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.934 112.0 49.4 -66.2 -40.1 31.0 47.0 14.5 146 58 B L H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.927 110.9 48.1 -64.6 -50.4 29.6 43.5 14.2 147 59 B M H X S+ 0 0 13 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.916 112.0 50.3 -59.0 -45.0 26.0 44.6 14.2 148 60 B G H < S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.4 46.8 -58.1 -40.6 26.8 47.2 11.6 149 61 B S H < S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.8 42.7 -71.2 -38.2 28.5 44.7 9.4 150 62 B L H < S+ 0 0 8 -4,-2.5 2,-1.6 1,-0.2 -1,-0.2 0.723 92.2 88.6 -77.1 -26.0 25.7 42.1 9.7 151 63 B D >< + 0 0 17 -4,-1.8 3,-1.4 -5,-0.2 5,-0.2 -0.530 45.7 165.3 -85.8 79.8 22.8 44.5 9.3 152 64 B E T 3 S+ 0 0 156 -2,-1.6 -1,-0.2 1,-0.3 6,-0.1 0.694 75.1 48.1 -70.7 -22.3 22.3 44.6 5.5 153 65 B N T 3 S- 0 0 85 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.265 105.5-123.6-105.9 9.4 18.9 46.2 5.7 154 66 B S S < S+ 0 0 101 -3,-1.4 -2,-0.1 -6,-0.1 -6,-0.0 0.724 72.5 126.4 56.3 34.6 19.9 49.0 8.1 155 67 B D S S- 0 0 40 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.358 76.4-119.5 -99.0 6.5 17.2 48.2 10.8 156 68 B Q S S+ 0 0 162 1,-0.2 -37,-0.3 -5,-0.2 2,-0.3 0.490 84.4 88.6 67.0 12.5 19.9 48.0 13.6 157 69 B Q S S- 0 0 45 -39,-0.1 2,-0.6 -38,-0.1 -2,-0.3 -0.859 77.5-118.7-131.4 166.3 18.9 44.4 14.2 158 70 B V B -B 117 0B 0 -41,-2.5 -41,-3.0 -2,-0.3 -7,-0.1 -0.922 30.5-166.4-110.1 111.7 20.0 41.0 12.9 159 71 B D > - 0 0 40 -2,-0.6 4,-2.4 -43,-0.2 5,-0.2 -0.250 40.2 -88.5 -84.6-177.8 17.2 39.0 11.2 160 72 B F H > S+ 0 0 18 -45,-0.5 4,-2.5 1,-0.2 5,-0.2 0.909 126.5 47.1 -63.3 -46.6 17.3 35.3 10.4 161 73 B Q H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 112.9 50.0 -64.6 -38.1 18.8 35.7 6.9 162 74 B E H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 113.0 48.1 -64.9 -39.6 21.5 38.1 8.3 163 75 B Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.886 107.2 54.6 -64.8 -41.5 22.2 35.5 11.1 164 76 B A H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.894 110.6 46.6 -59.8 -45.3 22.5 32.7 8.6 165 77 B V H X S+ 0 0 70 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.928 110.8 53.9 -62.0 -44.6 25.1 34.7 6.6 166 78 B F H X S+ 0 0 13 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.941 111.0 44.7 -55.6 -48.8 26.9 35.5 9.9 167 79 B L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.895 110.1 53.5 -66.4 -39.0 27.1 31.8 10.9 168 80 B A H X S+ 0 0 8 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.923 110.2 50.2 -60.8 -39.1 28.2 30.8 7.4 169 81 B L H X S+ 0 0 98 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 112.1 46.2 -63.6 -44.2 31.1 33.5 7.8 170 82 B I H X S+ 0 0 8 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.870 108.1 55.8 -74.0 -22.6 32.1 32.1 11.1 171 83 B T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.3 -2,-0.2 0.879 105.9 51.1 -74.3 -29.8 32.0 28.5 9.9 172 84 B V H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.946 112.9 47.0 -65.5 -42.6 34.5 29.6 7.2 173 85 B M H X S+ 0 0 92 -4,-2.3 4,-2.3 2,-0.2 -2,-0.3 0.913 112.7 49.0 -59.5 -44.5 36.4 31.0 10.2 174 86 B S H X S+ 0 0 24 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.879 110.4 50.6 -63.0 -39.1 36.0 27.7 12.1 175 87 B N H X S+ 0 0 14 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.889 107.7 53.1 -68.7 -40.0 37.1 25.8 9.0 176 88 B D H < S+ 0 0 89 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.931 113.4 43.1 -57.1 -44.5 40.2 28.0 8.8 177 89 B F H < S+ 0 0 165 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.4 46.9 -70.0 -39.5 41.0 27.2 12.5 178 90 B F H < 0 0 119 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 360.0 360.0 -67.0 -40.4 40.2 23.6 12.0 179 91 B Q < 0 0 108 -4,-2.8 0, 0.0 -5,-0.1 0, 0.0 -0.385 360.0 360.0-101.2 360.0 42.3 23.2 8.7