==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN,UNKNOWN FUNCTION 10-APR-08 3CSX . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYANOTHECE; . AUTHOR A.ADDLAGATTA,H.ROBINSON,G.W.BUCHKO . 132 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 85.6 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 75.8 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 1 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 15 A A 0 0 91 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.4 11.9 5.6 64.4 2 16 A D >> + 0 0 77 54,-0.0 4,-1.0 0, 0.0 3,-0.8 -0.529 360.0 99.4 -97.5 55.6 12.9 5.0 61.8 3 17 A L H 3> S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.789 75.3 76.2 -41.3 -37.2 9.4 4.6 60.6 4 18 A K H 3> S+ 0 0 70 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.843 94.3 44.1 -56.1 -41.2 10.1 8.2 59.3 5 19 A K H <> S+ 0 0 95 -3,-0.8 4,-2.4 2,-0.2 -1,-0.3 0.846 114.4 51.6 -69.3 -36.8 12.3 7.0 56.4 6 20 A K H X S+ 0 0 119 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.866 111.6 45.4 -69.5 -38.4 9.7 4.3 55.7 7 21 A V H X S+ 0 0 16 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.884 111.8 53.6 -68.0 -41.5 6.8 6.9 55.7 8 22 A R H X S+ 0 0 35 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.934 108.8 49.4 -57.2 -46.8 9.0 9.2 53.5 9 23 A K H X S+ 0 0 164 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 113.6 44.0 -61.8 -48.2 9.5 6.4 51.0 10 24 A L H X S+ 0 0 16 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.872 108.2 60.1 -61.8 -40.2 5.8 5.5 50.8 11 25 A N H X S+ 0 0 52 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.927 109.2 43.5 -51.7 -48.6 5.0 9.3 50.6 12 26 A S H X S+ 0 0 53 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 113.7 48.8 -63.5 -47.0 7.0 9.4 47.5 13 27 A K H X S+ 0 0 103 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.891 111.7 51.7 -57.6 -40.8 5.6 6.2 46.0 14 28 A A H X S+ 0 0 3 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.933 108.5 50.6 -65.1 -44.7 2.1 7.5 46.8 15 29 A G H X S+ 0 0 24 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.875 111.5 48.6 -62.7 -38.4 2.8 10.8 45.0 16 30 A Q H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.853 110.9 48.1 -69.9 -37.1 4.1 9.0 41.9 17 31 A M H X S+ 0 0 11 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.868 109.3 55.1 -72.9 -36.3 1.1 6.7 41.7 18 32 A K H X S+ 0 0 139 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.968 111.1 44.4 -53.8 -54.6 -1.2 9.7 42.1 19 33 A M H X S+ 0 0 14 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.916 113.9 51.1 -54.2 -47.6 0.5 11.3 39.1 20 34 A D H X S+ 0 0 64 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.911 113.3 42.6 -61.3 -45.3 0.4 8.0 37.2 21 35 A L H X S+ 0 0 55 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.919 113.6 53.1 -69.2 -40.5 -3.3 7.4 37.7 22 36 A H H X S+ 0 0 113 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.951 112.8 44.2 -56.5 -52.8 -4.1 11.1 37.1 23 37 A D H X S+ 0 0 59 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.883 111.6 52.6 -58.1 -41.9 -2.3 11.0 33.7 24 38 A L H X S+ 0 0 23 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.925 112.0 47.2 -60.3 -47.2 -3.8 7.7 32.8 25 39 A A H >< S+ 0 0 50 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.972 111.3 48.7 -58.6 -51.6 -7.2 9.1 33.5 26 40 A E H 3< S+ 0 0 160 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.7 56.2 -61.0 -30.0 -6.6 12.4 31.5 27 41 A G H >< S+ 0 0 36 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.3 0.556 90.0 165.3 -78.9 -8.9 -5.3 10.2 28.6 28 42 A L T << + 0 0 75 -3,-1.6 3,-0.1 -4,-0.6 -3,-0.0 -0.180 55.5 34.7 -53.8 144.2 -8.4 8.1 28.1 29 43 A P T > S+ 0 0 107 0, 0.0 3,-1.7 0, 0.0 -1,-0.4 -0.987 103.5 92.0 -79.7 -5.3 -9.4 6.2 26.0 30 44 A T T < S- 0 0 93 -3,-1.6 -3,-0.1 1,-0.3 0, 0.0 -0.217 106.6 -2.7 -48.3 130.3 -5.6 5.5 25.6 31 45 A D T > S+ 0 0 81 1,-0.1 3,-2.3 -3,-0.1 4,-0.3 0.777 76.2 154.3 55.0 33.3 -4.6 2.5 27.8 32 46 A Y G X + 0 0 145 -3,-1.7 3,-1.5 1,-0.3 4,-0.3 0.830 68.2 70.3 -58.4 -26.8 -8.1 2.1 29.4 33 47 A E G 3 S+ 0 0 125 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.724 93.7 55.0 -62.4 -20.0 -7.0 -1.5 29.9 34 48 A N G <> S+ 0 0 53 -3,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.402 79.9 95.8 -93.9 -1.9 -4.5 -0.4 32.5 35 49 A L H <> S+ 0 0 55 -3,-1.5 4,-2.7 -4,-0.3 5,-0.2 0.925 84.4 43.3 -54.4 -54.1 -7.0 1.4 34.7 36 50 A V H > S+ 0 0 99 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 0.940 113.9 48.5 -68.1 -46.1 -7.8 -1.4 37.3 37 51 A E H > S+ 0 0 89 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.891 114.8 46.9 -59.8 -38.5 -4.2 -2.5 37.8 38 52 A T H X S+ 0 0 22 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.934 112.6 48.9 -69.0 -43.7 -3.1 1.1 38.3 39 53 A A H X S+ 0 0 43 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.899 110.7 51.8 -60.8 -41.4 -6.0 1.9 40.7 40 54 A E H X S+ 0 0 118 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.897 112.1 44.9 -62.7 -44.6 -5.2 -1.3 42.7 41 55 A K H X S+ 0 0 121 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.900 114.1 49.5 -64.9 -44.7 -1.5 -0.4 43.1 42 56 A T H X S+ 0 0 14 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.948 111.4 49.6 -59.5 -48.9 -2.4 3.2 44.0 43 57 A Y H X S+ 0 0 140 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.956 109.6 51.5 -55.9 -48.0 -4.9 2.0 46.6 44 58 A E H X S+ 0 0 95 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 112.0 45.3 -57.6 -43.3 -2.4 -0.4 48.1 45 59 A I H X S+ 0 0 26 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.943 114.7 46.8 -68.1 -46.8 0.3 2.3 48.5 46 60 A F H X S+ 0 0 87 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.875 113.1 50.3 -64.4 -36.7 -2.1 5.0 49.9 47 61 A R H X S+ 0 0 85 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.951 113.1 45.1 -60.4 -53.1 -3.6 2.4 52.3 48 62 A E H X S+ 0 0 82 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.878 113.7 50.5 -62.8 -38.7 -0.2 1.3 53.6 49 63 A L H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.912 108.2 53.2 -63.8 -42.8 0.9 5.0 53.8 50 64 A D H X S+ 0 0 96 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.943 113.3 42.2 -56.8 -52.8 -2.2 5.8 55.8 51 65 A Q H X S+ 0 0 106 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.935 114.1 50.3 -60.4 -48.4 -1.5 3.0 58.4 52 66 A L H X S+ 0 0 31 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.893 110.4 50.7 -62.3 -41.9 2.2 3.7 58.7 53 67 A K H X S+ 0 0 99 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.879 109.3 50.7 -59.1 -42.5 1.6 7.4 59.3 54 68 A K H X S+ 0 0 129 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.922 111.2 49.5 -62.2 -41.7 -0.9 6.6 62.0 55 69 A K H >X S+ 0 0 118 -4,-2.4 4,-2.5 1,-0.2 3,-0.6 0.931 110.5 49.0 -60.8 -50.5 1.7 4.3 63.5 56 70 A L H 3X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.813 109.3 54.9 -59.9 -30.3 4.4 7.0 63.4 57 71 A N H 3X S+ 0 0 96 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.763 107.5 46.2 -80.6 -24.5 2.0 9.4 65.0 58 72 A I H << S+ 0 0 127 -4,-1.3 3,-0.3 -3,-0.6 -2,-0.2 0.928 114.8 51.4 -71.6 -55.4 1.3 7.2 68.0 59 73 A W H < S+ 0 0 145 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.916 116.2 37.3 -30.3 -68.0 5.1 6.7 68.3 60 74 A E H < 0 0 113 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.646 360.0 360.0 -76.5 -19.6 6.0 10.4 68.2 61 75 A E < 0 0 204 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.850 360.0 360.0 -41.6 360.0 3.1 11.7 70.2 62 !* 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 63 5 B T > 0 0 134 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.4 22.0 8.6 58.3 64 6 B D T 3 + 0 0 172 1,-0.3 4,-0.1 4,-0.0 0, 0.0 0.675 360.0 67.7 -58.9 -22.3 23.3 10.0 55.1 65 7 B N T 3 S+ 0 0 103 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.790 88.0 79.2 -71.7 -26.5 20.2 8.7 53.3 66 8 B N S < S- 0 0 33 -3,-1.6 65,-0.0 1,-0.1 -61,-0.0 -0.513 93.5 -92.7 -92.2 150.3 17.9 11.1 55.1 67 9 B P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.297 39.7-165.6 -69.0 147.6 17.5 14.7 54.2 68 10 B T > - 0 0 50 -4,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.762 37.5-105.7-119.9 160.6 19.6 17.3 56.0 69 11 B P H > S+ 0 0 100 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.899 124.9 53.1 -57.7 -35.6 19.2 21.2 56.1 70 12 B E H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.939 108.8 47.7 -60.5 -50.3 22.2 21.3 53.7 71 13 B A H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 111.3 51.3 -55.9 -44.8 20.4 18.9 51.2 72 14 B V H X S+ 0 0 22 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.931 107.9 52.2 -61.1 -45.8 17.2 21.0 51.5 73 15 B A H X S+ 0 0 55 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.886 110.2 49.0 -57.4 -43.1 19.1 24.2 50.8 74 16 B D H X S+ 0 0 114 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.922 111.1 48.3 -60.2 -48.6 20.6 22.6 47.6 75 17 B L H X S+ 0 0 9 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.921 108.7 54.8 -62.2 -44.0 17.2 21.4 46.4 76 18 B K H X S+ 0 0 112 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.878 109.1 49.1 -50.3 -41.9 15.7 24.8 47.0 77 19 B K H X S+ 0 0 112 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.882 111.2 47.7 -67.2 -42.9 18.5 26.2 44.8 78 20 B K H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.918 110.8 52.4 -64.1 -45.3 17.8 23.7 42.0 79 21 B V H X S+ 0 0 15 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.918 108.3 51.2 -60.4 -44.0 14.1 24.4 42.2 80 22 B R H X S+ 0 0 183 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.903 110.2 47.3 -62.1 -45.1 14.7 28.1 41.8 81 23 B K H X S+ 0 0 135 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.907 115.0 47.2 -60.7 -39.2 16.9 27.8 38.7 82 24 B L H X S+ 0 0 25 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.853 103.3 60.9 -71.7 -33.7 14.4 25.5 37.1 83 25 B N H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.907 105.9 49.9 -61.3 -36.1 11.4 27.7 38.0 84 26 B S H X S+ 0 0 71 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.912 111.1 47.0 -64.5 -44.1 13.1 30.3 35.8 85 27 B K H X S+ 0 0 117 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.868 111.8 51.8 -66.7 -37.8 13.7 27.9 32.9 86 28 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-0.2 0.930 105.8 54.5 -63.9 -47.9 10.1 26.8 33.2 87 29 B G H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.832 106.3 54.2 -50.8 -37.2 8.9 30.4 33.1 88 30 B Q H X S+ 0 0 96 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.895 109.7 44.4 -66.8 -42.0 10.8 30.7 29.8 89 31 B M H X S+ 0 0 33 -4,-1.7 4,-2.7 -3,-0.2 5,-0.2 0.871 110.5 56.1 -71.2 -37.3 9.1 27.8 28.2 90 32 B K H X S+ 0 0 124 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.960 110.2 45.2 -55.4 -53.2 5.8 29.0 29.5 91 33 B M H X S+ 0 0 90 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.894 112.8 50.7 -61.3 -39.8 6.3 32.4 27.8 92 34 B D H X S+ 0 0 92 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.892 111.1 47.5 -65.0 -37.7 7.5 30.8 24.6 93 35 B L H X S+ 0 0 51 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.932 111.9 51.3 -69.1 -41.6 4.5 28.5 24.4 94 36 B H H X S+ 0 0 95 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.945 110.2 49.0 -55.8 -49.6 2.2 31.4 25.2 95 37 B D H X S+ 0 0 76 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.872 109.6 52.4 -62.3 -37.3 3.8 33.4 22.4 96 38 B L H X S+ 0 0 22 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.948 111.6 45.5 -56.8 -55.2 3.4 30.5 20.0 97 39 B A H >< S+ 0 0 51 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.940 110.7 54.1 -57.4 -47.8 -0.3 30.1 20.7 98 40 B E H 3< S+ 0 0 144 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.7 50.2 -56.8 -36.8 -0.8 34.0 20.4 99 41 B G H >< S+ 0 0 36 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.3 0.554 92.8 164.3 -78.8 -8.0 0.8 33.9 17.0 100 42 B L T << + 0 0 74 -3,-1.4 3,-0.1 -4,-0.7 -3,-0.0 -0.218 54.7 37.1 -51.4 143.0 -1.3 31.1 15.5 101 43 B P T > S+ 0 0 102 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.977 105.1 83.9 -78.1 -11.9 -1.9 30.1 12.8 102 44 B T T < S+ 0 0 96 -3,-1.4 -3,-0.1 1,-0.3 0, 0.0 -0.263 107.3 7.0 -55.0 132.9 1.8 31.0 12.1 103 45 B D T > S+ 0 0 97 1,-0.1 3,-1.3 -3,-0.1 -1,-0.3 0.761 78.1 146.0 68.1 27.1 4.1 28.2 13.2 104 46 B Y G X + 0 0 146 -3,-1.6 3,-1.4 1,-0.3 4,-0.3 0.796 66.6 67.7 -63.9 -23.7 1.3 25.7 14.0 105 47 B E G 3 S+ 0 0 159 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.750 95.6 56.9 -66.9 -21.2 3.6 22.9 12.8 106 48 B N G <> S+ 0 0 68 -3,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.484 80.0 96.2 -84.9 -6.3 5.7 23.7 15.9 107 49 B L H <> S+ 0 0 57 -3,-1.4 4,-2.8 -4,-0.2 5,-0.2 0.899 81.9 44.3 -53.2 -53.4 2.9 23.2 18.5 108 50 B V H > S+ 0 0 123 -4,-0.3 4,-2.7 -3,-0.2 -1,-0.2 0.941 115.6 47.4 -66.3 -44.1 3.5 19.6 19.6 109 51 B E H > S+ 0 0 143 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.927 114.4 46.4 -58.5 -48.6 7.3 19.9 19.9 110 52 B T H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 113.1 49.3 -63.0 -46.1 7.0 23.1 21.9 111 53 B A H X S+ 0 0 44 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.892 110.1 51.6 -59.3 -41.8 4.3 21.7 24.2 112 54 B E H X S+ 0 0 97 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.934 110.3 48.0 -60.2 -46.6 6.3 18.5 24.8 113 55 B K H X S+ 0 0 103 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.916 114.4 46.9 -59.8 -45.3 9.4 20.6 25.8 114 56 B T H X S+ 0 0 12 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.929 110.7 52.6 -62.5 -45.7 7.3 22.7 28.1 115 57 B Y H X S+ 0 0 98 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.930 106.9 52.7 -57.9 -45.4 5.6 19.7 29.6 116 58 B E H X S+ 0 0 84 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 108.8 47.6 -62.8 -42.6 8.8 18.0 30.5 117 59 B I H X S+ 0 0 23 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.916 113.7 47.3 -65.6 -43.3 10.3 21.0 32.3 118 60 B F H X S+ 0 0 79 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.883 110.8 53.1 -66.8 -32.8 7.1 21.5 34.4 119 61 B R H X S+ 0 0 59 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.937 111.2 45.5 -65.0 -46.0 6.9 17.8 35.1 120 62 B E H X S+ 0 0 84 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.929 113.1 50.6 -62.2 -44.0 10.5 17.9 36.4 121 63 B L H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.913 109.8 50.0 -57.8 -42.5 9.8 21.0 38.4 122 64 B D H X S+ 0 0 64 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.932 109.4 52.0 -66.7 -43.6 6.6 19.5 40.0 123 65 B Q H X S+ 0 0 61 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.909 111.9 45.8 -56.5 -42.8 8.6 16.4 41.0 124 66 B L H X S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.917 111.7 51.0 -72.2 -38.9 11.2 18.4 42.7 125 67 B K H X S+ 0 0 80 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 112.5 46.2 -61.3 -46.0 8.7 20.6 44.4 126 68 B K H X S+ 0 0 86 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.888 112.7 50.8 -61.0 -43.2 6.8 17.6 45.8 127 69 B K H X S+ 0 0 75 -4,-2.3 4,-3.3 -5,-0.2 -2,-0.2 0.930 108.4 53.1 -58.0 -48.0 10.2 16.0 46.8 128 70 B L H X S+ 0 0 21 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.929 108.7 48.6 -55.2 -48.8 11.1 19.3 48.6 129 71 B N H X S+ 0 0 112 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.948 113.8 46.6 -57.1 -47.9 7.9 19.3 50.6 130 72 B I H < S+ 0 0 26 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.912 114.3 48.1 -60.0 -44.3 8.4 15.6 51.6 131 73 B W H < S+ 0 0 57 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.950 109.5 50.2 -60.6 -53.5 12.1 16.3 52.5 132 74 B E H < 0 0 89 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 360.0 360.0 -53.2 -44.7 11.3 19.4 54.6 133 75 B E < 0 0 142 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.396 360.0 360.0 73.5 360.0 8.7 17.1 56.3