==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 02-NOV-05 2D5K . COMPND 2 MOLECULE: DPS FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR Y.TANAKA,M.YAO,N.WATANABE,I.TANAKA . 591 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 78.3 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 . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 427 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 8 4 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 3 A S 0 0 79 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.4 -32.3 41.6 66.8 2 4 A N > - 0 0 86 117,-0.0 4,-1.3 118,-0.0 3,-0.4 -0.632 360.0 -86.5-121.5-178.3 -35.3 40.8 69.0 3 5 A Q H > S+ 0 0 75 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.859 124.3 55.0 -59.5 -39.5 -39.1 41.2 68.8 4 6 A Q H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 103.6 56.0 -65.2 -32.1 -39.0 44.7 70.3 5 7 A D H > S+ 0 0 65 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.877 108.7 48.0 -65.0 -36.8 -36.6 45.8 67.5 6 8 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.884 107.0 55.2 -70.9 -38.9 -39.1 44.6 65.0 7 9 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.891 105.2 54.4 -60.7 -37.5 -41.9 46.4 66.7 8 10 A K H X S+ 0 0 142 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.911 110.1 46.3 -61.8 -41.7 -39.8 49.6 66.4 9 11 A E H X S+ 0 0 24 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.876 111.8 51.2 -68.2 -38.9 -39.6 49.0 62.6 10 12 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.2 0.938 111.9 46.3 -64.2 -46.0 -43.3 48.2 62.3 11 13 A N H X S+ 0 0 16 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.837 104.3 62.6 -65.4 -32.7 -44.2 51.5 64.2 12 14 A Q H X S+ 0 0 33 -4,-1.8 4,-2.4 -5,-0.2 68,-0.3 0.918 109.3 41.5 -57.8 -42.4 -41.7 53.4 62.0 13 15 A Q H X S+ 0 0 0 -4,-1.5 4,-2.9 -3,-0.2 5,-0.3 0.865 109.9 55.9 -74.5 -36.6 -43.9 52.4 59.0 14 16 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.941 113.1 44.6 -59.3 -42.2 -47.2 53.0 60.8 15 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.945 112.8 50.2 -65.4 -50.4 -45.9 56.5 61.4 16 18 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 115.2 42.2 -53.5 -52.3 -44.5 57.0 57.9 17 19 A W H X S+ 0 0 7 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.727 108.3 58.1 -73.4 -21.5 -47.8 55.9 56.2 18 20 A T H X S+ 0 0 15 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.906 113.3 40.9 -72.0 -40.1 -50.0 57.8 58.6 19 21 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.922 115.2 51.2 -71.4 -41.5 -48.2 61.0 57.6 20 22 A A H X S+ 0 0 8 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.839 101.5 63.3 -62.9 -34.5 -48.1 60.0 53.9 21 23 A Y H X S+ 0 0 16 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.922 109.7 38.3 -56.1 -47.1 -51.8 59.3 54.0 22 24 A T H X S+ 0 0 15 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.866 114.1 54.2 -75.3 -35.6 -52.5 62.9 54.7 23 25 A K H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.900 107.8 51.5 -65.1 -36.6 -49.8 64.2 52.4 24 26 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.834 108.8 50.7 -68.0 -31.1 -51.4 62.1 49.6 25 27 A H H X S+ 0 0 6 -4,-1.1 4,-2.3 -5,-0.2 -2,-0.2 0.930 109.5 51.9 -68.4 -43.5 -54.7 63.7 50.4 26 28 A N H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.938 112.9 43.0 -55.9 -50.6 -53.0 67.1 50.2 27 29 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.883 110.4 57.6 -64.7 -37.3 -51.5 66.3 46.8 28 30 A H H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.881 115.2 37.4 -58.2 -40.2 -54.9 64.8 45.7 29 31 A W H < S+ 0 0 11 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.891 121.9 40.0 -81.4 -41.6 -56.5 68.1 46.5 30 32 A Y H < S+ 0 0 49 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.520 79.9 121.9 -90.5 -6.2 -53.9 70.6 45.3 31 33 A V < + 0 0 2 -4,-1.8 2,-0.3 -5,-0.2 58,-0.1 -0.290 37.2 174.8 -60.8 139.2 -52.6 68.9 42.1 32 34 A K + 0 0 131 56,-0.1 58,-0.4 3,-0.0 3,-0.2 -0.901 23.5 66.3-140.0 167.9 -53.0 71.1 39.0 33 35 A G S > S- 0 0 47 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.382 94.5 -49.9 109.2 172.2 -52.1 71.1 35.3 34 36 A P T 3 S+ 0 0 130 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.626 132.6 56.1 -58.3 -16.6 -53.0 69.0 32.2 35 37 A N T 3> S+ 0 0 21 -3,-0.2 4,-2.5 1,-0.2 5,-0.3 0.212 73.4 115.6-101.0 14.7 -52.4 65.8 34.1 36 38 A F H <> S+ 0 0 62 -3,-2.2 4,-2.9 1,-0.2 5,-0.3 0.889 72.7 49.1 -48.7 -51.9 -54.9 66.7 36.8 37 39 A F H > S+ 0 0 164 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.919 114.1 43.8 -60.5 -45.3 -57.4 64.0 36.1 38 40 A S H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 120.1 40.7 -66.2 -46.2 -54.8 61.1 36.1 39 41 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.860 107.4 60.8 -72.2 -36.7 -52.9 62.3 39.1 40 42 A H H X S+ 0 0 36 -4,-2.9 4,-0.9 -5,-0.3 -1,-0.2 0.934 114.5 37.7 -55.2 -44.2 -56.0 63.3 41.1 41 43 A V H X S+ 0 0 73 -4,-1.5 4,-2.2 -5,-0.3 3,-0.5 0.919 112.8 56.2 -73.7 -44.5 -57.1 59.6 40.9 42 44 A K H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.892 105.6 52.0 -56.0 -42.1 -53.6 58.1 41.3 43 45 A F H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.835 108.3 51.7 -65.5 -31.4 -53.1 59.9 44.6 44 46 A E H X S+ 0 0 72 -4,-0.9 4,-2.1 -3,-0.5 -1,-0.2 0.912 107.7 51.2 -70.8 -42.0 -56.3 58.6 45.9 45 47 A E H X S+ 0 0 101 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.901 111.0 51.4 -60.4 -38.8 -55.4 55.0 45.0 46 48 A L H X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.894 109.2 46.9 -68.3 -41.5 -52.1 55.6 46.8 47 49 A Y H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.831 110.0 54.0 -73.7 -24.1 -53.7 56.9 50.0 48 50 A N H X S+ 0 0 74 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.933 110.7 46.9 -69.2 -41.1 -56.2 54.0 50.0 49 51 A E H X S+ 0 0 43 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.889 109.6 55.5 -64.1 -38.3 -53.2 51.7 49.8 50 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.902 104.3 51.8 -61.6 -43.4 -51.5 53.6 52.5 51 53 A S H X S+ 0 0 18 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.861 106.7 55.1 -63.7 -33.8 -54.4 53.1 54.9 52 54 A Q H X S+ 0 0 129 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.909 108.2 47.9 -65.0 -41.8 -54.3 49.4 54.3 53 55 A Y H X S+ 0 0 24 -4,-1.8 4,-2.9 2,-0.2 5,-0.4 0.913 108.7 54.3 -64.4 -44.3 -50.6 49.3 55.3 54 56 A V H X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.937 113.2 41.4 -56.1 -49.0 -51.2 51.3 58.4 55 57 A D H X S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.914 115.4 50.8 -67.4 -42.0 -53.9 48.9 59.6 56 58 A E H X S+ 0 0 78 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.945 115.6 39.7 -60.9 -51.4 -52.0 45.8 58.6 57 59 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.873 114.0 54.5 -69.0 -35.9 -48.7 46.7 60.3 58 60 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.4 -1,-0.2 0.905 109.6 47.1 -64.8 -40.2 -50.5 48.1 63.4 59 61 A E H X S+ 0 0 61 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.705 107.3 57.0 -76.1 -17.2 -52.4 44.8 63.9 60 62 A R H X S+ 0 0 45 -4,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.897 105.2 51.9 -75.6 -39.7 -49.2 42.9 63.4 61 63 A I H ><>S+ 0 0 0 -4,-2.0 5,-3.0 1,-0.2 3,-1.0 0.930 110.3 48.4 -58.5 -43.8 -47.7 44.9 66.3 62 64 A L H ><5S+ 0 0 49 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.891 105.6 59.0 -62.6 -38.4 -50.8 43.9 68.3 63 65 A A H 3<5S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.643 107.9 45.2 -66.6 -17.0 -50.3 40.3 67.3 64 66 A V T <<5S- 0 0 34 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.206 125.2 -99.1-110.2 13.7 -46.8 40.3 68.9 65 67 A G T < 5S+ 0 0 69 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.614 80.4 129.1 83.0 14.2 -47.9 42.0 72.0 66 68 A G < - 0 0 12 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.0 -0.317 60.5-110.5 -96.2-179.7 -46.8 45.5 71.2 67 69 A N - 0 0 117 -2,-0.1 2,-0.1 -5,-0.0 -56,-0.0 -0.929 26.7-143.4-114.2 109.4 -48.4 49.0 71.2 68 70 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -10,-0.1 -0.470 34.1 -99.6 -70.4 140.9 -49.0 50.5 67.7 69 71 A V + 0 0 7 1,-0.1 -11,-0.0 -2,-0.1 6,-0.0 -0.460 47.3 177.7 -62.5 115.1 -48.5 54.3 67.6 70 72 A G + 0 0 2 -2,-0.4 164,-0.4 164,-0.1 2,-0.3 0.059 47.3 69.1-114.0 26.4 -52.1 55.6 67.9 71 73 A T S > S- 0 0 17 162,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.987 72.9-129.6-139.6 148.9 -51.8 59.4 67.9 72 74 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.859 108.9 60.2 -64.6 -35.1 -50.8 61.9 65.2 73 75 A T H > S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.923 107.8 44.5 -59.0 -43.9 -48.3 63.5 67.6 74 76 A E H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.880 112.1 51.9 -68.5 -39.3 -46.4 60.2 67.9 75 77 A C H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 3,-0.3 0.911 108.4 51.1 -64.0 -41.7 -46.6 59.6 64.2 76 78 A L H < S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 108.8 52.9 -64.2 -32.1 -45.1 63.0 63.4 77 79 A E H < S+ 0 0 145 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.779 119.3 32.5 -74.1 -27.5 -42.3 62.3 65.9 78 80 A Q H < S+ 0 0 68 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.686 92.6 106.3-103.7 -21.0 -41.3 59.0 64.3 79 81 A S < - 0 0 23 -4,-2.6 -66,-0.1 -64,-0.2 -67,-0.1 -0.294 47.7-164.4 -65.3 139.8 -42.1 59.6 60.6 80 82 A I S S+ 0 0 66 -68,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.362 73.0 92.0 -98.9 0.6 -39.2 60.1 58.1 81 83 A V S S- 0 0 9 22,-0.0 2,-0.2 23,-0.0 -2,-0.1 -0.844 74.9-139.3 -96.4 127.6 -41.9 61.4 55.7 82 84 A K - 0 0 162 -2,-0.5 2,-0.1 1,-0.1 3,-0.1 -0.526 19.1-108.3 -85.5 154.4 -42.5 65.1 55.8 83 85 A E - 0 0 37 -2,-0.2 138,-0.1 1,-0.1 -1,-0.1 -0.439 52.0 -82.2 -75.2 157.0 -45.9 66.8 55.7 84 86 A A - 0 0 5 136,-0.4 -1,-0.1 -2,-0.1 136,-0.1 -0.301 44.7-140.2 -61.6 139.9 -46.7 68.6 52.5 85 87 A A - 0 0 54 -3,-0.1 2,-0.7 2,-0.1 3,-0.1 -0.129 35.2 -80.0 -85.6-169.5 -45.3 72.1 52.3 86 88 A K S S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.862 98.9 18.3-102.4 113.1 -47.2 75.1 50.8 87 89 A G + 0 0 68 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.746 62.4 171.1 97.8 100.5 -47.2 75.2 47.0 88 90 A Y - 0 0 47 -58,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.976 24.4-141.1-137.4 150.4 -46.4 72.3 44.6 89 91 A S > - 0 0 43 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.585 40.5-103.9 -97.7 168.6 -46.6 71.8 40.8 90 92 A A H > S+ 0 0 3 -58,-0.4 4,-2.1 1,-0.2 5,-0.2 0.923 124.8 52.8 -59.9 -42.7 -47.7 68.3 39.7 91 93 A E H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 108.2 50.0 -58.9 -42.5 -44.1 67.5 38.8 92 94 A Q H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.830 107.7 53.8 -68.6 -32.3 -42.9 68.5 42.3 93 95 A M H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.946 111.4 44.1 -66.6 -47.7 -45.5 66.3 44.0 94 96 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.875 111.7 54.9 -65.5 -36.7 -44.5 63.2 42.1 95 97 A E H X S+ 0 0 107 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.921 109.8 46.2 -62.1 -43.2 -40.8 64.1 42.7 96 98 A E H X S+ 0 0 44 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.903 111.0 51.3 -68.1 -40.2 -41.4 64.2 46.4 97 99 A L H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.898 109.0 52.4 -62.7 -37.6 -43.4 61.0 46.5 98 100 A S H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.926 109.4 49.0 -62.5 -44.0 -40.5 59.4 44.6 99 101 A Q H X S+ 0 0 120 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.939 113.1 47.7 -59.7 -47.5 -38.1 60.7 47.2 100 102 A D H X S+ 0 0 14 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.920 112.7 47.5 -60.2 -46.2 -40.3 59.3 50.0 101 103 A F H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.863 111.4 51.0 -66.0 -34.5 -40.7 55.9 48.3 102 104 A T H X S+ 0 0 57 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.946 113.3 45.9 -65.6 -45.9 -37.0 55.7 47.7 103 105 A N H X S+ 0 0 70 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.898 114.4 47.2 -62.9 -42.8 -36.4 56.5 51.4 104 106 A I H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.901 108.7 54.1 -67.6 -40.7 -39.0 54.0 52.6 105 107 A S H X S+ 0 0 18 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.903 110.1 48.2 -60.5 -39.2 -37.8 51.2 50.4 106 108 A K H X S+ 0 0 171 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.910 111.6 49.2 -66.6 -41.7 -34.3 51.7 51.9 107 109 A Q H X S+ 0 0 37 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.887 110.0 52.8 -64.2 -38.3 -35.7 51.7 55.4 108 110 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.856 99.8 60.6 -67.2 -35.5 -37.7 48.5 54.5 109 111 A E H X S+ 0 0 71 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.916 111.3 41.3 -57.8 -41.2 -34.6 46.7 53.3 110 112 A N H X S+ 0 0 88 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.898 112.2 54.1 -72.3 -41.6 -33.2 47.1 56.8 111 113 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.879 106.8 52.9 -60.1 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138.0 -58.3 72.9 52.7 219 71 B V - 0 0 10 1,-0.1 -11,-0.0 -2,-0.1 6,-0.0 -0.427 45.3-176.1 -58.7 116.1 -56.1 72.3 55.7 220 72 B G + 0 0 3 -2,-0.3 -136,-0.4 -136,-0.1 2,-0.3 0.143 49.2 66.2-107.3 21.1 -53.5 69.9 54.3 221 73 B T S > S- 0 0 12 -138,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.974 70.4-131.6-139.1 154.5 -51.3 69.0 57.3 222 74 B L H > S+ 0 0 1 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.846 107.9 59.9 -70.6 -34.7 -51.8 67.0 60.5 223 75 B T H > S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.923 107.6 44.8 -59.5 -45.0 -50.1 69.8 62.5 224 76 B E H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.903 111.4 53.5 -66.6 -41.0 -52.8 72.2 61.4 225 77 B C H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.922 106.0 52.2 -60.1 -44.9 -55.6 69.7 62.0 226 78 B L H < S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 108.5 53.8 -61.6 -28.8 -54.4 69.2 65.6 227 79 B E H < S+ 0 0 143 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.896 118.4 30.7 -73.7 -41.1 -54.5 72.9 66.1 228 80 B Q H < S+ 0 0 68 -4,-1.8 -2,-0.2 -3,-0.1 -3,-0.1 0.812 93.2 107.6 -88.8 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239 91 B S > - 0 0 53 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.441 34.0-101.5 -83.7 167.2 -61.9 50.5 78.2 240 92 B A H > S+ 0 0 10 -58,-0.5 4,-2.3 1,-0.2 5,-0.2 0.915 125.5 51.3 -56.6 -43.3 -64.4 49.8 75.4 241 93 B E H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 109.2 49.3 -61.0 -43.5 -67.0 51.6 77.4 242 94 B Q H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.833 109.1 53.8 -66.5 -31.2 -64.8 54.6 77.9 243 95 B M H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.947 111.2 43.9 -67.5 -47.3 -64.0 54.7 74.2 244 96 B V H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.887 112.1 54.5 -65.5 -37.3 -67.7 54.7 73.2 245 97 B E H X S+ 0 0 86 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.932 110.5 45.6 -61.6 -45.2 -68.4 57.4 75.9 246 98 B E H X S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 111.7 50.7 -66.7 -40.9 -65.7 59.6 74.5 247 99 B L H X S+ 0 0 4 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.908 109.3 52.9 -63.0 -38.5 -66.8 59.2 70.9 248 100 B S H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.936 109.9 47.1 -61.9 -44.6 -70.4 60.0 72.1 249 101 B Q H X S+ 0 0 104 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.901 112.4 50.7 -63.5 -39.5 -69.1 63.2 73.7 250 102 B D H X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.938 111.3 47.5 -62.2 -46.2 -67.1 64.0 70.5 251 103 B F H X S+ 0 0 4 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.855 110.5 51.9 -64.8 -33.8 -70.2 63.4 68.3 252 104 B T H X S+ 0 0 53 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.932 112.6 46.3 -66.2 -44.0 -72.3 65.6 70.7 253 105 B N H X S+ 0 0 59 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.907 113.9 47.6 -64.0 -43.6 -69.7 68.4 70.3 254 106 B I H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.913 108.6 53.9 -65.3 -43.3 -69.5 68.0 66.6 255 107 B S H X S+ 0 0 18 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.892 109.0 49.7 -59.8 -38.3 -73.3 68.0 66.1 256 108 B K H X S+ 0 0 165 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.906 111.0 48.8 -66.5 -41.4 -73.5 71.3 68.1 257 109 B Q H X S+ 0 0 42 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.898 109.8 53.1 -63.5 -40.4 -70.7 72.8 65.9 258 110 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.841 100.8 59.4 -65.4 -33.1 -72.6 71.7 62.8 259 111 B E H X S+ 0 0 121 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.940 111.9 41.1 -60.3 -44.0 -75.8 73.3 63.9 260 112 B N H X S+ 0 0 76 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.899 113.0 53.7 -69.3 -41.5 -73.9 76.6 63.9 261 113 B A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.863 106.1 53.5 -61.1 -38.2 -72.1 75.8 60.7 262 114 B I H X S+ 0 0 18 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.911 109.7 47.6 -63.2 -43.7 -75.4 75.1 59.0 263 115 B E H X S+ 0 0 112 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.919 112.5 49.3 -63.8 -44.5 -76.7 78.5 60.0 264 116 B I H X S+ 0 0 26 -4,-2.4 4,-1.8 2,-0.2 6,-0.2 0.925 111.5 48.5 -61.0 -47.5 -73.5 80.3 58.8 265 117 B A H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.929 112.9 47.5 -60.0 -47.4 -73.5 78.5 55.5 266 118 B G H ><5S+ 0 0 24 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.916 111.4 50.0 -61.4 -44.5 -77.2 79.4 54.9 267 119 B N H 3<5S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 110.8 50.5 -63.8 -30.8 -76.7 83.0 55.9 268 120 B A H 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.548 115.9-116.4 -83.6 -8.7 -73.8 83.3 53.5 269 121 B G T <<5S+ 0 0 47 -3,-1.0 2,-1.4 -4,-0.6 -3,-0.2 0.635 73.1 135.4 82.5 13.0 -75.8 81.8 50.7 270 122 B D >< + 0 0 4 -5,-2.5 4,-1.8 -6,-0.2 -1,-0.2 -0.690 19.3 164.2 -94.9 82.2 -73.5 78.7 50.5 271 123 B D H > + 0 0 101 -2,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.706 69.1 59.1 -73.9 -20.4 -76.3 76.2 50.2 272 124 B V H > S+ 0 0 68 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.947 109.4 41.8 -72.8 -49.7 -74.0 73.5 48.9 273 125 B S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 112.8 56.1 -63.8 -37.0 -71.8 73.6 52.0 274 126 B E H X S+ 0 0 56 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.938 107.1 48.8 -58.9 -46.4 -74.9 73.9 54.1 275 127 B D H X S+ 0 0 112 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.867 109.5 52.4 -61.9 -38.4 -76.2 70.7 52.6 276 128 B M H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.897 108.8 49.4 -65.8 -40.4 -72.9 68.9 53.3 277 129 B F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.887 110.3 52.0 -64.9 -38.3 -73.0 69.9 56.9 278 130 B I H X S+ 0 0 59 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 108.3 50.0 -63.0 -46.7 -76.6 68.6 57.1 279 131 B G H X S+ 0 0 41 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.909 113.1 47.1 -58.5 -42.7 -75.6 65.3 55.6 280 132 B M H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.927 110.6 50.7 -65.4 -45.6 -72.8 65.0 58.2 281 133 B Q H X S+ 0 0 26 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.866 105.5 58.9 -61.1 -35.2 -75.0 66.0 61.1 282 134 B T H X S+ 0 0 90 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.951 112.3 37.8 -57.7 -51.6 -77.5 63.4 60.0 283 135 B S H X S+ 0 0 18 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.897 114.7 54.6 -68.9 -41.5 -75.0 60.6 60.3 284 136 B V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.939 111.3 44.9 -57.8 -48.1 -73.3 62.0 63.4 285 137 B D H X S+ 0 0 70 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.883 112.7 51.6 -64.5 -38.9 -76.6 62.2 65.3 286 138 B K H X S+ 0 0 125 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.948 112.1 45.4 -63.5 -49.2 -77.6 58.7 64.1 287 139 B H H X S+ 0 0 26 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.894 109.9 56.1 -61.1 -40.0 -74.3 57.2 65.3 288 140 B N H X S+ 0 0 9 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.894 103.8 52.9 -62.0 -39.2 -74.6 59.1 68.6 289 141 B W H X S+ 0 0 154 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.934 110.7 48.6 -60.9 -43.3 -78.0 57.5 69.3 290 142 B M H X S+ 0 0 71 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.920 110.9 49.7 -62.6 -43.4 -76.4 54.1 68.8 291 143 B F H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.943 112.1 47.8 -60.0 -48.4 -73.5 55.0 71.1 292 144 B K H X S+ 0 0 116 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.835 111.5 50.6 -62.2 -33.4 -75.8 56.2 73.8 293 145 B S H >< S+ 0 0 61 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.918 109.4 50.2 -70.4 -42.6 -78.0 53.0 73.4 294 146 B Y H 3< S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 113.1 48.1 -60.1 -38.9 -74.9 50.8 73.7 295 147 B L H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.608 84.5 117.8 -78.5 -14.4 -73.9 52.8 76.9 296 148 B S << - 0 0 86 -4,-0.8 2,-0.1 -3,-0.7 -3,-0.0 -0.264 68.3-113.4 -58.9 137.3 -77.4 52.5 78.5 297 149 B L 0 0 145 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.377 360.0 360.0 -74.3 152.9 -77.5 50.7 81.8 298 150 B E 0 0 248 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.805 360.0 360.0 102.4 360.0 -79.3 47.3 82.3 299 !* 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 0.0 300 2 C A 0 0 147 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 171.0 -22.2 36.0 46.1 301 3 C S - 0 0 22 116,-0.4 2,-0.2 113,-0.1 0, 0.0 -0.985 360.0-164.4-134.7 146.7 -25.0 37.5 44.0 302 4 C N > - 0 0 86 -2,-0.3 4,-1.5 117,-0.0 3,-0.4 -0.645 41.0 -89.3-121.5 179.1 -25.9 41.0 43.0 303 5 C Q H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.861 123.8 54.3 -57.5 -39.6 -28.9 42.9 41.6 304 6 C Q H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 104.2 55.7 -64.5 -35.2 -27.8 42.3 38.0 305 7 C D H > S+ 0 0 59 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.882 108.5 48.4 -62.8 -38.2 -27.7 38.6 38.7 306 8 C V H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.901 107.4 54.4 -68.9 -40.4 -31.3 38.8 39.9 307 9 C V H X S+ 0 0 6 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.888 106.8 52.7 -60.0 -37.7 -32.3 40.8 36.8 308 10 C K H X S+ 0 0 124 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.930 110.6 46.9 -62.7 -44.2 -30.8 37.9 34.7 309 11 C E H X S+ 0 0 26 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.885 112.1 50.6 -64.5 -40.2 -32.9 35.4 36.6 310 12 C L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.943 111.3 47.4 -63.8 -46.4 -36.0 37.6 36.2 311 13 C N H X S+ 0 0 17 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.835 104.0 61.9 -64.7 -31.8 -35.4 37.9 32.4 312 14 C Q H X S+ 0 0 25 -4,-2.0 4,-2.4 1,-0.2 68,-0.3 0.911 109.6 42.0 -59.0 -41.4 -34.9 34.2 32.1 313 15 C Q H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.3 5,-0.3 0.862 110.0 54.9 -75.0 -37.0 -38.4 33.7 33.4 314 16 C V H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.936 113.8 44.7 -59.9 -41.8 -39.9 36.5 31.3 315 17 C A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.935 112.4 50.8 -65.4 -49.4 -38.4 34.7 28.3 316 18 C N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.933 115.2 41.4 -54.4 -52.3 -39.6 31.2 29.5 317 19 C W H X S+ 0 0 8 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.721 108.5 58.9 -74.0 -20.5 -43.1 32.3 30.0 318 20 C T H X S+ 0 0 15 -4,-1.5 4,-1.1 -5,-0.3 -1,-0.2 0.927 113.7 39.4 -71.7 -42.2 -43.3 34.4 26.8 319 21 C V H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 3,-0.3 0.912 115.2 52.7 -70.3 -41.6 -42.5 31.3 24.8 320 22 C A H X S+ 0 0 7 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.830 100.3 63.7 -61.8 -33.8 -44.7 29.1 27.0 321 23 C Y H X S+ 0 0 16 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.918 109.1 39.1 -57.0 -45.8 -47.5 31.6 26.4 322 24 C T H X S+ 0 0 15 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.880 113.7 53.4 -74.8 -37.8 -47.5 30.7 22.7 323 25 C K H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 107.8 52.4 -64.5 -35.4 -46.8 27.0 23.2 324 26 C L H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.835 108.6 50.2 -68.5 -31.8 -49.8 26.9 25.5 325 27 C H H X S+ 0 0 7 -4,-1.1 4,-2.5 -5,-0.2 -2,-0.2 0.933 109.6 51.7 -68.8 -44.8 -52.0 28.5 22.8 326 28 C N H X S+ 0 0 13 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.931 113.5 43.1 -55.4 -48.7 -50.7 25.9 20.3 327 29 C F H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.878 111.0 56.0 -65.8 -37.5 -51.6 23.1 22.7 328 30 C H H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.2 37.7 -60.3 -39.5 -54.9 24.8 23.4 329 31 C W H < S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.881 122.5 39.1 -81.5 -41.4 -55.7 24.8 19.6 330 32 C Y H < S+ 0 0 54 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.512 78.7 122.3 -92.1 -6.5 -54.3 21.4 18.6 331 33 C V < - 0 0 0 -4,-1.8 2,-0.3 -5,-0.2 58,-0.1 -0.304 39.3-176.8 -60.2 138.6 -55.2 19.1 21.5 332 34 C K + 0 0 135 56,-0.2 58,-0.4 3,-0.0 3,-0.3 -0.851 27.0 57.1-131.6 167.9 -57.3 16.1 20.3 333 35 C G S > S- 0 0 46 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 -0.331 95.1 -44.4 104.3 173.5 -59.1 13.2 21.9 334 36 C P T 3 S+ 0 0 135 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.654 131.6 54.5 -52.5 -24.5 -61.8 12.4 24.6 335 37 C N T 3> S+ 0 0 77 -3,-0.3 4,-2.4 1,-0.2 5,-0.4 0.180 72.1 116.0-100.5 17.6 -60.3 14.9 27.0 336 38 C F H <> S+ 0 0 61 -3,-2.1 4,-2.9 1,-0.2 5,-0.2 0.899 73.5 50.2 -51.1 -49.8 -60.4 17.8 24.5 337 39 C F H > S+ 0 0 161 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.913 113.6 43.2 -61.5 -43.9 -62.8 19.9 26.5 338 40 C S H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.949 120.3 40.5 -66.8 -49.3 -61.0 19.7 29.8 339 41 C L H X S+ 0 0 12 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.879 108.2 61.2 -67.8 -38.7 -57.5 20.3 28.3 340 42 C H H X S+ 0 0 34 -4,-2.9 4,-0.8 -5,-0.4 -1,-0.2 0.921 114.6 36.0 -53.4 -45.2 -58.7 23.0 25.9 341 43 C V H X S+ 0 0 72 -4,-1.4 4,-2.2 -5,-0.2 3,-0.3 0.887 113.7 56.7 -76.7 -40.6 -59.8 25.0 28.9 342 44 C K H X S+ 0 0 53 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.890 105.4 51.7 -59.2 -40.8 -56.9 24.0 31.2 343 45 C F H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.828 108.9 51.1 -66.7 -31.1 -54.3 25.2 28.7 344 46 C E H X S+ 0 0 64 -4,-0.8 4,-2.1 -5,-0.3 -2,-0.2 0.905 107.4 52.1 -71.6 -41.5 -56.1 28.6 28.4 345 47 C E H X S+ 0 0 100 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.904 110.8 50.9 -60.0 -38.9 -56.1 29.0 32.2 346 48 C L H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.900 109.7 46.0 -68.3 -42.4 -52.3 28.3 32.1 347 49 C Y H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.833 109.9 55.6 -73.1 -24.3 -51.5 30.8 29.4 348 50 C N H X S+ 0 0 74 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.910 110.8 45.0 -68.9 -38.4 -53.6 33.4 31.2 349 51 C E H X S+ 0 0 57 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.878 109.8 56.5 -70.1 -36.0 -51.5 32.8 34.3 350 52 C A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.913 104.3 51.7 -61.4 -43.6 -48.3 32.9 32.1 351 53 C S H X S+ 0 0 18 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.850 107.4 53.6 -63.5 -33.5 -49.2 36.4 30.9 352 54 C Q H X S+ 0 0 131 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.919 109.1 48.3 -66.7 -42.5 -49.6 37.5 34.5 353 55 C Y H X S+ 0 0 31 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.914 108.2 54.7 -63.6 -42.7 -46.2 36.2 35.4 354 56 C V H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.935 113.2 41.7 -56.3 -48.2 -44.6 37.9 32.4 355 57 C D H X S+ 0 0 22 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.904 114.7 51.2 -68.4 -41.5 -46.0 41.3 33.3 356 58 C E H X S+ 0 0 74 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.950 115.8 39.5 -61.4 -51.7 -45.2 40.9 37.1 357 59 C L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.869 114.0 54.5 -68.3 -36.1 -41.6 39.9 36.6 358 60 C A H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.4 -1,-0.2 0.911 109.6 46.8 -64.2 -41.6 -41.0 42.4 33.8 359 61 C E H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.727 107.9 56.7 -74.6 -19.5 -42.2 45.3 35.9 360 62 C R H X S+ 0 0 12 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.903 104.6 52.7 -73.8 -40.0 -40.1 44.1 38.8 361 63 C I H ><>S+ 0 0 0 -4,-2.0 5,-3.0 1,-0.2 3,-0.7 0.920 109.8 48.8 -58.2 -42.8 -37.1 44.4 36.5 362 64 C L H ><5S+ 0 0 17 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.906 106.0 57.8 -62.9 -40.7 -38.2 47.9 35.8 363 65 C A H 3<5S+ 0 0 22 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.718 108.5 45.5 -63.6 -22.9 -38.5 48.6 39.5 364 66 C V T <<5S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.266 124.8-100.3-103.8 11.1 -34.9 47.7 40.1 365 67 C G T < 5S+ 0 0 69 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.621 80.2 125.5 85.0 15.0 -33.6 49.7 37.1 366 68 C G < - 0 0 12 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.0 -0.348 62.1-107.6 -99.5-177.8 -33.2 46.9 34.6 367 69 C N - 0 0 116 -2,-0.1 2,-0.2 -5,-0.0 -56,-0.0 -0.935 26.9-142.4-114.5 111.8 -34.4 46.3 31.0 368 70 C P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 -0.495 35.0 -99.5 -71.2 138.2 -37.1 43.5 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1,-0.1 4,-2.1 -58,-0.1 5,-0.2 -0.516 32.8-102.2 -88.1 165.9 -51.1 13.8 21.3 390 92 C A H > S+ 0 0 15 -58,-0.4 4,-2.1 1,-0.2 5,-0.2 0.918 125.4 51.0 -54.9 -43.7 -52.9 15.0 24.4 391 93 C E H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 108.6 50.1 -61.4 -42.7 -50.6 12.8 26.5 392 94 C Q H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 108.3 54.2 -66.6 -32.1 -47.5 14.1 24.8 393 95 C M H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 111.8 42.6 -66.9 -47.7 -48.6 17.7 25.4 394 96 C V H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.895 113.0 54.3 -66.1 -38.7 -49.1 17.2 29.1 395 97 C E H X S+ 0 0 88 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.918 111.4 44.8 -60.9 -43.3 -45.8 15.2 29.3 396 98 C E H X S+ 0 0 42 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.897 112.3 50.4 -69.4 -40.3 -43.9 18.1 27.7 397 99 C L H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.900 109.2 53.5 -63.4 -38.0 -45.5 20.7 29.9 398 100 C S H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 109.6 46.9 -62.6 -42.7 -44.6 18.6 32.9 399 101 C Q H X S+ 0 0 102 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419 121 C G T <<5S+ 0 0 19 -3,-0.9 2,-1.5 -4,-0.6 3,-0.2 0.614 73.1 135.7 82.3 11.1 -30.8 41.0 49.3 420 122 C D >< + 0 0 5 -5,-2.2 4,-1.9 -6,-0.2 -1,-0.2 -0.662 19.1 163.3 -93.4 81.1 -33.5 41.3 46.7 421 123 C D H > + 0 0 20 -2,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.750 68.8 58.5 -72.4 -25.1 -36.3 40.0 48.8 422 124 C V H > S+ 0 0 0 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.963 110.1 41.7 -68.6 -52.1 -39.1 41.3 46.6 423 125 C S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 112.8 55.8 -61.3 -38.7 -37.8 39.4 43.5 424 126 C E H X S+ 0 0 48 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.924 107.2 49.3 -57.6 -46.5 -37.2 36.4 45.8 425 127 C D H X S+ 0 0 60 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.860 109.1 52.5 -62.6 -37.8 -40.8 36.5 46.9 426 128 C M H X S+ 0 0 17 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 108.9 49.3 -66.0 -41.4 -42.0 36.7 43.3 427 129 C F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.880 110.2 52.1 -64.4 -37.8 -40.0 33.6 42.4 428 130 C I H X S+ 0 0 66 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.904 108.5 49.8 -65.3 -41.0 -41.4 31.8 45.4 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20.0 37.8 439 141 C W H X S+ 0 0 151 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.928 109.9 49.2 -59.5 -43.3 -48.4 17.7 40.4 440 142 C M H X S+ 0 0 59 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.908 109.8 50.7 -62.6 -42.8 -51.7 17.9 38.5 441 143 C F H X S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.933 111.1 48.2 -60.4 -47.3 -50.0 17.1 35.2 442 144 C K H X S+ 0 0 116 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.838 111.0 51.2 -62.4 -34.7 -48.3 14.0 36.7 443 145 C S H < S+ 0 0 63 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.884 108.2 51.5 -70.4 -38.4 -51.6 12.9 38.2 444 146 C Y H < S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.892 115.5 43.4 -62.6 -38.3 -53.2 13.2 34.8 445 147 C L H < 0 0 59 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.634 360.0 360.0 -82.3 -17.1 -50.4 11.1 33.3 446 148 C S < 0 0 140 -4,-1.2 -3,-0.0 -5,-0.1 -4,-0.0 -0.465 360.0 360.0 -63.5 360.0 -50.4 8.5 36.2 447 !* 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 0.0 448 2 D A 0 0 125 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.3 -54.5 27.6 -4.2 449 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108.0 49.6 -57.8 -43.4 -44.9 60.0 20.9 540 94 D Q H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.825 107.6 54.7 -66.9 -32.1 -42.8 57.6 18.8 541 95 D M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.932 111.5 43.3 -66.6 -44.8 -44.6 54.6 20.3 542 96 D V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.878 112.1 54.1 -68.6 -37.4 -48.0 56.0 19.3 543 97 D E H X S+ 0 0 89 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.914 110.9 46.2 -62.5 -41.9 -46.7 57.0 15.9 544 98 D E H X S+ 0 0 51 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.911 112.0 49.5 -68.8 -41.9 -45.5 53.5 15.2 545 99 D L H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.890 109.1 54.1 -63.8 -36.8 -48.7 51.9 16.5 546 100 D S H X S+ 0 0 14 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.922 109.9 46.2 -63.0 -42.5 -50.7 54.2 14.3 547 101 D Q H X S+ 0 0 104 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.906 112.3 51.0 -66.4 -40.1 -48.7 53.2 11.2 548 102 D D H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.926 111.6 47.5 -61.5 -44.3 -49.1 49.5 12.2 549 103 D F H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.863 110.9 51.2 -66.1 -35.1 -52.8 50.0 12.5 550 104 D T H X S+ 0 0 52 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.936 113.2 45.6 -66.0 -44.7 -53.0 51.8 9.2 551 105 D N H X S+ 0 0 58 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.901 114.1 48.8 -64.3 -41.7 -51.0 48.9 7.6 552 106 D I H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.914 108.7 52.3 -64.6 -44.0 -53.2 46.3 9.3 553 107 D S H X S+ 0 0 19 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.881 109.3 50.6 -60.8 -38.3 -56.5 48.0 8.3 554 108 D K H X S+ 0 0 164 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.912 111.0 48.3 -66.1 -42.5 -55.3 48.1 4.6 555 109 D Q H X S+ 0 0 41 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.890 109.9 53.6 -62.8 -40.1 -54.5 44.4 4.8 556 110 D L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.845 100.4 59.5 -64.5 -34.6 -57.9 43.7 6.4 557 111 D E H X S+ 0 0 98 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.932 111.7 41.4 -58.9 -44.6 -59.7 45.5 3.5 558 112 D N H X S+ 0 0 81 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.917 112.8 53.3 -68.1 -45.5 -58.1 43.0 1.2 559 113 D A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.869 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