==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-OCT-11 3U8V . COMPND 2 MOLECULE: METAL-BINDING PROTEIN SMBP; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR J.P.ALLEN,W.A.FRANCISCO . 166 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 88.0 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 . 0 0.0 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 0 0 0 0 0 0 3 3 0 2 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 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 1 A S 0 0 51 0, 0.0 126,-0.1 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 173.6 -12.9 -10.2 23.5 2 2 A G > - 0 0 50 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.201 360.0 -92.3 -80.8 178.4 -10.8 -12.6 25.6 3 3 A H H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.911 122.6 53.5 -56.1 -44.1 -7.4 -14.0 24.8 4 4 A T H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.912 109.8 45.4 -62.5 -45.8 -8.8 -17.1 23.1 5 5 A A H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.911 114.2 49.4 -69.1 -38.8 -11.1 -15.3 20.8 6 6 A H H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.924 111.5 47.4 -65.2 -43.6 -8.4 -12.8 19.8 7 7 A V H X S+ 0 0 17 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.942 113.6 50.6 -61.7 -42.7 -5.8 -15.4 19.1 8 8 A D H X S+ 0 0 80 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.935 113.0 43.7 -60.9 -47.6 -8.5 -17.3 17.1 9 9 A E H X S+ 0 0 56 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.898 112.7 53.8 -66.1 -37.3 -9.4 -14.3 15.0 10 10 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.951 112.2 44.6 -60.8 -43.8 -5.7 -13.5 14.6 11 11 A V H X S+ 0 0 7 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.954 113.3 50.5 -63.5 -48.4 -5.0 -17.0 13.3 12 12 A K H X S+ 0 0 93 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.883 114.1 43.4 -60.3 -44.0 -8.1 -17.0 11.0 13 13 A H H X S+ 0 0 31 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.898 112.7 51.4 -70.5 -36.4 -7.2 -13.7 9.5 14 14 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.907 109.7 52.5 -65.8 -39.5 -3.5 -14.6 9.1 15 15 A E H X S+ 0 0 74 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.896 111.0 45.9 -60.7 -40.3 -4.7 -17.8 7.4 16 16 A E H X S+ 0 0 95 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.876 110.6 53.2 -69.8 -39.6 -6.8 -15.8 5.0 17 17 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.935 110.6 47.9 -57.7 -45.5 -3.9 -13.4 4.4 18 18 A V H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.953 110.7 51.0 -58.5 -47.4 -1.6 -16.4 3.5 19 19 A A H X S+ 0 0 47 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.902 112.3 46.3 -59.8 -42.2 -4.2 -17.8 1.2 20 20 A H H ><>S+ 0 0 37 -4,-2.2 5,-3.2 2,-0.2 3,-0.7 0.903 110.7 54.6 -62.8 -38.1 -4.6 -14.4 -0.6 21 21 A G H ><5S+ 0 0 4 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.892 102.3 54.7 -68.9 -39.9 -0.8 -14.1 -0.8 22 22 A K H 3<5S+ 0 0 143 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.726 110.2 48.3 -64.7 -22.2 -0.4 -17.4 -2.5 23 23 A E T <<5S- 0 0 142 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.396 120.2-113.0 -93.7 0.4 -2.8 -16.0 -5.1 24 24 A G T < 5 + 0 0 41 -3,-1.6 2,-1.9 -4,-0.2 -3,-0.2 0.687 66.1 150.1 73.9 19.4 -0.8 -12.8 -5.3 25 25 A H >< + 0 0 77 -5,-3.2 4,-2.9 1,-0.2 3,-0.4 -0.498 15.8 171.7 -81.6 73.7 -3.7 -10.8 -3.8 26 26 A T H > S+ 0 0 38 -2,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.880 71.0 46.5 -57.5 -46.5 -1.4 -8.2 -2.1 27 27 A D H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.844 114.7 47.8 -67.4 -37.2 -4.1 -5.7 -0.9 28 28 A Q H > S+ 0 0 75 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.891 109.9 52.0 -71.0 -37.8 -6.3 -8.5 0.5 29 29 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.945 112.3 48.3 -58.3 -43.8 -3.2 -10.1 2.3 30 30 A L H X S+ 0 0 14 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.926 108.5 52.6 -63.6 -44.3 -2.6 -6.6 3.7 31 31 A E H X S+ 0 0 70 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.948 116.6 39.1 -58.2 -49.0 -6.2 -6.2 4.8 32 32 A H H X S+ 0 0 40 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.866 111.8 55.1 -70.0 -37.6 -6.2 -9.5 6.7 33 33 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.893 110.0 49.4 -59.7 -41.5 -2.6 -9.1 8.1 34 34 A K H X S+ 0 0 54 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.901 112.5 45.5 -68.7 -38.3 -3.8 -5.8 9.5 35 35 A E H X S+ 0 0 57 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.902 112.6 52.2 -64.4 -46.4 -6.9 -7.4 11.1 36 36 A S H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.908 109.6 50.3 -53.2 -44.3 -4.8 -10.3 12.4 37 37 A L H X S+ 0 0 22 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.903 105.8 53.9 -66.2 -39.3 -2.4 -7.8 13.9 38 38 A T H X S+ 0 0 15 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.948 114.3 42.5 -59.0 -45.9 -5.2 -5.8 15.7 39 39 A H H X S+ 0 0 17 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.900 112.0 53.1 -68.3 -40.7 -6.4 -9.1 17.2 40 40 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.904 111.0 47.4 -62.0 -41.4 -2.9 -10.3 18.0 41 41 A K H < S+ 0 0 102 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 110.5 51.8 -64.2 -39.1 -2.2 -7.0 19.8 42 42 A A H < S+ 0 0 14 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.813 108.8 52.6 -66.8 -26.7 -5.5 -7.3 21.7 43 43 A A H < 0 0 8 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.789 360.0 360.0 -78.4 -30.9 -4.4 -10.9 22.7 44 44 A S < 0 0 99 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 0.383 360.0 360.0 -51.8 360.0 -1.2 -9.6 24.1 45 ! 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 46 50 A T > 0 0 137 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -29.3 5.8 -14.7 23.9 47 51 A H H > + 0 0 81 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.914 360.0 50.5 -57.6 -44.8 4.3 -16.7 21.1 48 52 A V H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 107.6 52.9 -64.4 -40.9 1.9 -13.7 20.6 49 53 A G H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 109.6 48.0 -64.1 -40.3 4.8 -11.3 20.5 50 54 A H H X S+ 0 0 88 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.920 111.0 51.9 -61.4 -43.0 6.5 -13.3 17.8 51 55 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.906 108.7 50.5 -56.9 -48.0 3.3 -13.5 15.9 52 56 A I H X S+ 0 0 21 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.908 109.2 51.3 -55.8 -44.1 3.0 -9.6 16.1 53 57 A K H X S+ 0 0 139 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.928 112.5 45.9 -62.6 -46.1 6.6 -9.2 14.8 54 58 A H H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.868 111.0 51.5 -67.1 -40.6 5.9 -11.4 11.8 55 59 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.892 110.2 49.8 -60.5 -39.6 2.6 -9.7 11.1 56 60 A E H X S+ 0 0 83 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.920 112.9 47.1 -66.1 -43.0 4.3 -6.3 11.1 57 61 A D H X S+ 0 0 71 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.876 109.2 54.1 -63.0 -40.7 6.9 -7.7 8.8 58 62 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.920 110.2 47.3 -60.8 -42.3 4.2 -9.2 6.5 59 63 A I H X S+ 0 0 20 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.951 111.3 50.6 -66.6 -43.4 2.6 -5.8 6.3 60 64 A K H X S+ 0 0 119 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.940 114.2 43.6 -59.8 -48.1 5.8 -4.0 5.5 61 65 A H H <>S+ 0 0 48 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.887 113.2 51.6 -66.0 -42.4 6.8 -6.5 2.8 62 66 A G H ><5S+ 0 0 4 -4,-2.6 3,-1.5 -5,-0.2 -1,-0.2 0.912 108.1 50.6 -54.5 -47.1 3.3 -6.5 1.3 63 67 A E H 3<5S+ 0 0 117 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.832 109.0 56.2 -62.8 -28.4 3.4 -2.7 1.2 64 68 A E T 3<5S- 0 0 99 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.393 119.8-108.6 -78.3 -4.0 6.8 -3.2 -0.6 65 69 A G T < 5S+ 0 0 53 -3,-1.5 2,-0.8 -4,-0.3 -3,-0.2 0.644 84.0 120.9 88.7 13.3 5.3 -5.4 -3.3 66 70 A H >< + 0 0 104 -5,-2.5 4,-2.5 1,-0.2 5,-0.1 -0.701 26.1 163.8-112.2 78.8 6.9 -8.6 -2.1 67 71 A V H > S+ 0 0 29 -2,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.741 72.9 57.9 -70.8 -27.9 3.8 -10.7 -1.6 68 72 A G H > S+ 0 0 54 2,-0.2 4,-2.3 -3,-0.2 -1,-0.3 0.926 111.7 43.1 -61.6 -44.5 5.8 -14.0 -1.5 69 73 A V H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.923 113.0 50.8 -73.2 -40.3 7.8 -12.5 1.4 70 74 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 110.4 52.3 -59.4 -38.6 4.7 -11.1 3.1 71 75 A T H X S+ 0 0 9 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.910 107.9 49.2 -61.2 -48.3 3.1 -14.6 2.8 72 76 A K H X S+ 0 0 105 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.901 111.7 49.4 -62.3 -41.5 6.0 -16.4 4.4 73 77 A H H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.932 110.8 50.0 -69.0 -37.9 6.0 -13.9 7.3 74 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.903 109.2 51.4 -64.0 -40.3 2.2 -14.4 7.7 75 79 A Q H X S+ 0 0 63 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.927 110.3 49.7 -57.1 -44.8 2.8 -18.2 7.7 76 80 A E H X S+ 0 0 37 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.915 107.8 54.2 -60.8 -41.3 5.4 -17.7 10.5 77 81 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.928 107.1 51.1 -59.2 -43.4 2.9 -15.5 12.4 78 82 A I H X S+ 0 0 21 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.917 106.3 54.3 -59.4 -46.9 0.4 -18.4 12.3 79 83 A E H X S+ 0 0 114 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.918 114.4 41.2 -51.7 -46.5 2.9 -20.9 13.6 80 84 A H H X S+ 0 0 50 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.932 114.1 50.1 -70.9 -46.9 3.6 -18.6 16.6 81 85 A L H < S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.5 50.2 -60.4 -36.8 -0.0 -17.7 17.2 82 86 A R H < S+ 0 0 155 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.856 103.8 58.8 -69.8 -36.7 -1.0 -21.4 17.1 83 87 A A H < 0 0 67 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.877 360.0 360.0 -50.2 -37.6 1.8 -22.1 19.6 84 88 A S < 0 0 51 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.1 0.964 360.0 360.0 -89.2 360.0 -0.0 -19.6 21.9 85 !* 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 86 1 B S 0 0 48 0, 0.0 -44,-0.1 0, 0.0 -43,-0.0 0.000 360.0 360.0 360.0 168.2 -9.1 -6.8 25.6 87 2 B G > - 0 0 49 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.220 360.0 -94.8 -77.1 174.4 -12.2 -6.0 27.7 88 3 B H H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 122.5 46.4 -56.4 -50.7 -15.2 -4.2 26.5 89 4 B T H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.875 109.4 54.8 -61.9 -40.6 -14.2 -0.7 27.6 90 5 B A H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 111.2 46.2 -62.3 -45.5 -10.7 -1.0 26.2 91 6 B H H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.906 111.1 50.1 -65.4 -38.5 -12.1 -1.9 22.8 92 7 B V H X S+ 0 0 11 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.919 111.9 49.4 -63.1 -43.5 -14.7 0.9 22.8 93 8 B D H X S+ 0 0 102 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.887 113.0 46.1 -63.8 -42.3 -11.9 3.3 23.7 94 9 B E H X S+ 0 0 62 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.893 110.6 53.8 -63.7 -43.6 -9.7 2.0 20.9 95 10 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.916 110.9 46.4 -54.3 -46.3 -12.6 2.1 18.5 96 11 B V H X S+ 0 0 9 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.944 111.4 51.5 -64.0 -45.1 -13.2 5.8 19.3 97 12 B K H X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.910 114.0 42.9 -58.2 -47.8 -9.5 6.7 19.1 98 13 B H H X S+ 0 0 14 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.924 113.8 50.9 -66.7 -40.4 -9.2 5.1 15.6 99 14 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.901 108.8 53.5 -66.1 -36.8 -12.5 6.6 14.5 100 15 B E H X S+ 0 0 77 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.890 110.6 45.9 -60.1 -42.1 -11.2 10.0 15.7 101 16 B E H X S+ 0 0 89 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.917 110.1 54.4 -66.9 -40.3 -8.1 9.5 13.6 102 17 B A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.919 111.0 45.2 -59.6 -42.3 -10.2 8.5 10.7 103 18 B V H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.935 110.7 52.5 -67.5 -47.1 -12.3 11.7 11.0 104 19 B A H X S+ 0 0 43 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.931 114.5 43.4 -54.2 -45.8 -9.3 13.9 11.3 105 20 B H H ><>S+ 0 0 42 -4,-2.7 5,-2.5 1,-0.2 3,-1.0 0.916 112.1 52.9 -67.4 -43.8 -7.8 12.3 8.2 106 21 B G H ><5S+ 0 0 7 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.860 102.1 58.2 -59.3 -36.0 -11.2 12.4 6.3 107 22 B K H 3<5S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 109.4 47.2 -63.0 -24.6 -11.6 16.2 7.0 108 23 B E T <<5S- 0 0 145 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.364 121.6-110.5 -99.3 0.6 -8.2 16.6 5.2 109 24 B G T < 5 + 0 0 41 -3,-1.3 2,-1.7 -4,-0.3 -3,-0.2 0.668 67.9 146.5 81.8 16.8 -9.3 14.4 2.3 110 25 B H >< + 0 0 90 -5,-2.5 4,-3.0 1,-0.2 3,-0.3 -0.556 17.1 172.6 -89.1 77.7 -7.0 11.5 3.2 111 26 B T H > S+ 0 0 34 -2,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.877 73.5 51.5 -49.6 -48.8 -9.3 8.7 2.0 112 27 B D H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 113.6 43.5 -63.5 -40.3 -6.7 5.9 2.5 113 28 B Q H > S+ 0 0 72 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.858 111.5 54.5 -74.2 -36.5 -5.9 6.9 6.1 114 29 B L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.971 111.8 45.5 -55.5 -48.8 -9.5 7.4 6.8 115 30 B L H X S+ 0 0 9 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.913 110.7 51.9 -61.7 -46.4 -10.1 3.8 5.6 116 31 B E H X S+ 0 0 53 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.943 116.2 41.1 -57.6 -44.2 -7.1 2.3 7.5 117 32 B H H X S+ 0 0 26 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.895 112.3 52.1 -74.9 -38.3 -8.3 3.8 10.7 118 33 B A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.871 108.8 53.1 -64.6 -36.7 -12.0 3.1 10.2 119 34 B K H X S+ 0 0 47 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.916 112.1 44.8 -62.2 -42.0 -11.1 -0.5 9.6 120 35 B E H X S+ 0 0 52 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.909 112.6 51.4 -66.3 -44.7 -9.1 -0.7 12.9 121 36 B S H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.908 108.7 51.4 -56.1 -45.6 -11.9 1.1 14.7 122 37 B L H X S+ 0 0 21 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.863 105.5 55.4 -62.4 -41.0 -14.4 -1.4 13.3 123 38 B T H X S+ 0 0 11 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.939 113.5 41.7 -54.5 -49.5 -12.3 -4.4 14.5 124 39 B H H X S+ 0 0 11 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.866 112.3 54.1 -66.4 -42.7 -12.4 -3.0 18.0 125 40 B A H >X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.931 111.4 45.8 -57.4 -46.7 -16.1 -2.0 17.8 126 41 B K H >< S+ 0 0 106 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.858 108.1 56.5 -66.4 -30.9 -16.9 -5.6 16.8 127 42 B A H 3< S+ 0 0 15 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.737 107.6 51.3 -75.9 -18.1 -14.7 -6.9 19.6 128 43 B A H << 0 0 7 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.596 360.0 360.0 -82.1 -19.2 -16.8 -4.9 22.1 129 44 B S << 0 0 100 -3,-0.8 -3,-0.0 -4,-0.7 -4,-0.0 -0.435 360.0 360.0 -71.5 360.0 -20.2 -6.1 21.0 130 ! 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 0.0 131 50 B T > 0 0 131 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 133.0 -27.1 -0.9 21.4 132 51 B H H > + 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.836 360.0 59.1 -59.2 -35.5 -24.9 2.0 20.6 133 52 B V H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.960 104.5 50.8 -59.1 -47.0 -22.0 -0.3 19.8 134 53 B G H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.913 111.4 48.1 -53.9 -47.8 -24.1 -1.9 17.0 135 54 B H H X S+ 0 0 93 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.899 110.4 50.4 -60.4 -41.1 -24.9 1.5 15.6 136 55 B G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 110.4 51.2 -65.5 -41.7 -21.3 2.6 15.6 137 56 B I H X S+ 0 0 8 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.964 110.1 49.0 -55.6 -51.4 -20.4 -0.7 13.8 138 57 B K H X S+ 0 0 102 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.891 112.8 47.4 -57.3 -42.4 -23.1 0.0 11.2 139 58 B H H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.860 110.8 51.4 -71.3 -36.2 -21.8 3.6 10.7 140 59 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.928 108.7 51.2 -62.6 -44.7 -18.1 2.4 10.5 141 60 B E H X S+ 0 0 76 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.882 112.0 48.4 -57.9 -38.3 -19.1 -0.1 7.8 142 61 B D H X S+ 0 0 62 -4,-1.6 4,-2.8 -5,-0.3 5,-0.2 0.901 108.5 51.7 -69.1 -42.3 -20.8 2.7 6.0 143 62 B A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.917 113.5 46.3 -57.2 -42.3 -17.8 5.0 6.3 144 63 B I H X S+ 0 0 21 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.962 111.4 50.8 -64.9 -49.9 -15.6 2.2 4.8 145 64 B K H X S+ 0 0 117 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.929 117.0 40.6 -52.2 -50.8 -18.2 1.5 2.0 146 65 B H H >X>S+ 0 0 40 -4,-2.8 5,-2.4 1,-0.2 4,-0.7 0.930 114.2 51.7 -66.5 -46.4 -18.2 5.1 1.1 147 66 B G H ><5S+ 0 0 2 -4,-3.1 3,-1.2 1,-0.2 -2,-0.2 0.898 105.2 57.1 -56.1 -40.7 -14.4 5.6 1.5 148 67 B E H 3<5S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.8 46.6 -61.5 -31.9 -13.8 2.7 -0.7 149 68 B E H <<5S- 0 0 107 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.528 123.0-107.7 -88.3 -8.1 -15.8 4.4 -3.4 150 69 B G T <<5S+ 0 0 45 -3,-1.2 2,-1.6 -4,-0.7 -3,-0.2 0.563 77.8 133.0 94.9 9.9 -14.0 7.7 -2.8 151 70 B H >< + 0 0 94 -5,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.565 22.3 164.7 -89.3 72.2 -16.8 9.6 -1.1 152 71 B V H > + 0 0 30 -2,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.831 68.6 56.7 -62.4 -30.7 -14.5 10.8 1.7 153 72 B G H > S+ 0 0 39 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.946 111.8 40.2 -67.2 -48.8 -17.0 13.5 2.8 154 73 B V H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 115.1 54.1 -67.3 -35.7 -19.8 11.1 3.4 155 74 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.923 107.1 51.3 -61.0 -47.3 -17.3 8.5 4.9 156 75 B T H X S+ 0 0 8 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.899 108.1 51.6 -56.7 -44.9 -16.1 11.2 7.3 157 76 B K H X S+ 0 0 130 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.895 110.5 48.7 -58.6 -43.0 -19.7 12.0 8.4 158 77 B H H X S+ 0 0 32 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.906 109.8 51.4 -66.5 -39.5 -20.4 8.3 9.1 159 78 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.915 109.3 52.0 -63.2 -39.4 -17.1 8.0 11.1 160 79 B Q H X S+ 0 0 83 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.915 110.2 47.3 -59.5 -46.2 -18.3 11.1 13.1 161 80 B E H X S+ 0 0 90 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.840 107.9 57.0 -64.7 -34.3 -21.7 9.4 13.8 162 81 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.923 105.9 50.4 -64.9 -42.2 -19.8 6.2 14.8 163 82 B I H X S+ 0 0 19 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.922 108.2 51.4 -61.5 -43.7 -17.9 8.2 17.4 164 83 B E H X S+ 0 0 146 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.887 113.6 45.1 -61.9 -39.4 -21.0 9.7 18.9 165 84 B H H X S+ 0 0 41 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.939 113.1 49.7 -67.8 -46.4 -22.5 6.2 19.2 166 85 B L H >< S+ 0 0 1 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.917 113.1 46.8 -59.9 -41.1 -19.4 4.6 20.6 167 86 B R H 3< S+ 0 0 152 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 108.3 56.4 -68.3 -34.4 -19.1 7.4 23.2 168 87 B A H 3< 0 0 54 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.681 360.0 360.0 -66.4 -21.4 -22.9 7.0 24.0 169 88 B S << 0 0 71 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.863 360.0 360.0 -68.3 360.0 -22.2 3.3 24.8