==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAR-12 4EA0 . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR F.-Y.LIN,Y.-L.LIU,E.OLDFIELD . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 81.0 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 . 22 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 351 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 1 1 2 6 0 0 0 1 1 4 1 0 4 0 1 0 0 4 2 2 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 M 0 0 158 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 112.2 33.5 -17.7 35.0 2 2 A T > - 0 0 82 1,-0.1 4,-1.7 4,-0.0 5,-0.1 -0.194 360.0 -99.7 -69.5 173.2 36.8 -19.0 33.6 3 3 A M H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.953 126.0 48.5 -62.7 -48.6 38.9 -17.0 31.2 4 4 A M H >> S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 3,-0.9 0.945 106.8 58.7 -58.0 -41.9 37.6 -18.9 28.1 5 5 A D H 3> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.878 106.3 47.4 -52.5 -46.7 34.1 -18.4 29.5 6 6 A M H 3X S+ 0 0 69 -4,-1.7 4,-1.3 -3,-0.3 -1,-0.3 0.746 106.9 57.7 -66.0 -31.0 34.6 -14.6 29.4 7 7 A N H S+ 0 0 97 -3,-0.3 4,-3.4 1,-0.2 5,-0.1 0.895 81.3 54.7 -51.6 -37.0 19.6 -9.7 17.0 21 21 A S H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 110.0 41.2 -69.6 -48.9 17.8 -12.2 14.8 22 22 A F H > S+ 0 0 34 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.861 117.1 51.6 -62.7 -43.5 20.5 -14.9 14.7 23 23 A S H X S+ 0 0 5 -4,-2.5 4,-1.8 -8,-0.3 -2,-0.2 0.948 106.4 53.6 -54.4 -51.2 21.1 -14.3 18.4 24 24 A Y H < S+ 0 0 47 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.945 120.2 32.8 -54.4 -43.1 17.5 -14.7 19.1 25 25 A A H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.925 118.6 45.8 -82.0 -50.6 17.5 -18.1 17.4 26 26 A F H >< S+ 0 0 16 -4,-3.4 3,-1.4 1,-0.3 -1,-0.2 0.627 96.6 73.4 -76.3 -16.2 20.9 -19.6 17.9 27 27 A D T 3< S+ 0 0 31 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.568 87.2 68.0 -68.3 -9.3 21.0 -18.8 21.6 28 28 A L T < S+ 0 0 73 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.455 80.6 100.9 -87.3 -5.6 18.5 -21.6 22.0 29 29 A L S < S- 0 0 8 -3,-1.4 208,-0.1 1,-0.2 5,-0.1 -0.364 91.3 -77.0 -71.2 162.7 21.1 -24.3 21.0 30 30 A P >> - 0 0 57 0, 0.0 4,-2.7 0, 0.0 3,-1.1 -0.227 53.0-102.2 -53.6 154.4 22.8 -26.4 23.6 31 31 A E H 3> S+ 0 0 101 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.829 119.3 47.8 -51.2 -49.8 25.6 -24.6 25.4 32 32 A D H 3> S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.776 115.4 46.3 -65.7 -29.8 28.5 -26.1 23.6 33 33 A Q H <> S+ 0 0 33 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.925 110.5 49.6 -80.6 -44.0 26.9 -25.4 20.2 34 34 A R H X S+ 0 0 60 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.844 108.6 54.4 -67.8 -27.7 25.8 -21.9 20.8 35 35 A K H X S+ 0 0 31 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.923 108.1 48.6 -70.2 -50.3 29.2 -20.9 22.1 36 36 A A H X S+ 0 0 6 -4,-1.2 4,-2.8 2,-0.2 5,-0.3 0.950 112.2 49.8 -46.7 -55.0 30.8 -22.2 18.9 37 37 A V H X S+ 0 0 3 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.951 108.9 52.8 -50.7 -49.4 28.2 -20.2 16.9 38 38 A W H X S+ 0 0 11 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.872 113.0 43.4 -52.7 -45.7 29.0 -17.1 19.0 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.939 114.6 47.4 -71.7 -46.4 32.7 -17.4 18.2 40 40 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.973 114.5 48.0 -62.6 -46.3 32.4 -18.2 14.5 41 41 A Y H X S+ 0 0 24 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.886 109.3 52.9 -54.3 -47.6 29.9 -15.3 14.1 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.926 108.5 49.5 -65.2 -42.3 32.1 -12.9 16.0 43 43 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.931 113.5 47.2 -53.3 -48.3 35.1 -13.6 13.8 44 44 A C H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.868 112.3 49.3 -65.8 -42.7 32.9 -13.1 10.7 45 45 A R H X S+ 0 0 52 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.867 109.8 51.4 -59.8 -43.4 31.5 -9.9 12.1 46 46 A K H X S+ 0 0 19 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.967 110.2 49.5 -63.8 -43.8 35.0 -8.6 12.9 47 47 A I H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 3,-0.3 0.955 113.7 46.1 -56.2 -51.0 36.1 -9.4 9.3 48 48 A D H >X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 3,-0.7 0.884 113.2 47.7 -56.2 -52.0 33.1 -7.6 7.9 49 49 A D H 3X>S+ 0 0 4 -4,-2.7 5,-2.2 1,-0.2 4,-2.2 0.806 96.0 71.4 -74.0 -21.9 33.3 -4.6 10.1 50 50 A S H 3<5S+ 0 0 0 -4,-2.2 6,-4.0 -3,-0.3 -1,-0.2 0.867 117.7 22.3 -60.3 -34.7 37.1 -4.1 9.5 51 51 A I H + 0 0 69 -6,-4.0 4,-2.3 -7,-0.2 -1,-0.2 -0.758 28.8 177.0-110.4 93.4 40.8 -0.7 7.4 57 57 A I H > S+ 0 0 72 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.788 83.3 57.6 -64.2 -32.6 42.5 -3.2 5.2 58 58 A Q H > S+ 0 0 135 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 106.4 49.4 -66.7 -43.5 45.5 -3.5 7.6 59 59 A F H >> S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.967 107.5 55.5 -51.0 -54.8 43.0 -4.6 10.3 60 60 A L H 3X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.867 107.5 49.2 -47.2 -42.5 41.5 -7.1 7.9 61 61 A N H 3X S+ 0 0 57 -4,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.819 103.8 58.9 -75.2 -28.9 45.0 -8.6 7.3 62 62 A Q H < + 0 0 119 -4,-2.6 3,-1.2 -5,-0.2 -1,-0.2 -0.736 65.7 170.7-111.6 83.8 49.4 -24.0 15.3 74 74 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 0.821 79.9 43.6 -66.9 -19.0 46.1 -24.8 16.9 75 75 A Y T 3 S+ 0 0 157 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.267 92.2 93.4-114.9 10.2 47.7 -25.5 20.2 76 76 A E S < S- 0 0 111 -3,-1.2 2,-0.5 -7,-0.2 -3,-0.1 -0.687 80.0-104.3-105.8 154.7 50.3 -22.7 20.7 77 77 A Y - 0 0 132 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.673 39.6-162.4 -83.5 124.2 49.8 -19.4 22.5 78 78 A H - 0 0 21 -2,-0.5 2,-1.3 6,-0.1 -12,-0.0 -0.848 24.5-141.5-112.6 131.9 49.3 -16.6 20.0 79 79 A H - 0 0 160 -2,-0.4 -2,-0.0 2,-0.0 5,-0.0 -0.793 38.0-145.5 -80.6 79.2 49.7 -12.9 20.6 80 80 A F - 0 0 19 -2,-1.3 4,-0.2 1,-0.2 -17,-0.1 -0.235 14.7-157.0 -58.0 135.6 46.7 -12.2 18.3 81 81 A Q S S+ 0 0 89 -19,-0.3 -1,-0.2 2,-0.1 -18,-0.1 0.734 83.0 51.2 -81.6 -20.8 47.2 -9.0 16.4 82 82 A S S S- 0 0 23 -20,-0.3 2,-0.5 1,-0.2 3,-0.1 0.918 125.2 -35.7 -85.4-108.2 43.5 -8.8 16.0 83 83 A D > - 0 0 21 1,-0.1 4,-1.8 -21,-0.1 -1,-0.2 -0.977 53.4-161.4-129.7 112.4 41.0 -9.1 18.7 84 84 A R H > S+ 0 0 102 -2,-0.5 4,-2.6 -4,-0.2 5,-0.2 0.848 84.4 59.7 -74.7 -28.7 42.4 -11.6 21.1 85 85 A R H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.948 111.0 41.3 -63.8 -43.3 39.1 -12.4 22.9 86 86 A I H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 116.1 48.2 -68.3 -42.6 37.5 -13.6 19.6 87 87 A M H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.868 107.5 55.4 -73.9 -34.7 40.6 -15.5 18.4 88 88 A M H X S+ 0 0 27 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.946 111.9 45.3 -56.6 -44.3 41.1 -17.2 21.7 89 89 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.904 113.0 48.2 -70.3 -40.5 37.5 -18.5 21.4 90 90 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.942 110.5 52.4 -63.4 -45.3 37.8 -19.5 17.7 91 91 A Q H X S+ 0 0 17 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.906 108.5 52.3 -57.0 -37.8 41.1 -21.3 18.6 92 92 A H H X S+ 0 0 54 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.932 110.6 45.4 -65.3 -46.0 39.1 -23.1 21.3 93 93 A V H >X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 3,-0.9 0.886 107.0 60.2 -62.0 -39.8 36.4 -24.2 19.0 94 94 A A H 3< S+ 0 0 20 -4,-2.9 -1,-0.2 1,-0.3 5,-0.2 0.821 100.6 55.7 -57.9 -32.6 39.0 -25.3 16.4 95 95 A Q H 3< S+ 0 0 61 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.796 118.8 31.6 -71.0 -27.0 40.4 -27.7 19.0 96 96 A H H << S+ 0 0 124 -3,-0.9 2,-0.3 -4,-0.8 -2,-0.2 0.669 123.3 35.9-104.2 -27.6 37.1 -29.5 19.5 97 97 A K S < S- 0 0 76 -4,-2.7 2,-0.6 -5,-0.1 -1,-0.1 -0.891 85.1-101.3-127.7 159.9 35.4 -29.1 16.0 98 98 A N - 0 0 98 -2,-0.3 2,-0.6 -3,-0.1 46,-0.1 -0.739 37.2-160.6 -85.2 121.0 36.5 -29.2 12.4 99 99 A I - 0 0 9 -2,-0.6 2,-1.8 -5,-0.2 3,-0.1 -0.905 18.1-137.0-107.3 120.3 36.8 -25.7 11.0 100 100 A A >> - 0 0 26 -2,-0.6 4,-1.1 39,-0.2 3,-0.8 -0.557 27.7-179.9 -70.1 86.8 36.7 -25.1 7.3 101 101 A F H 3> S+ 0 0 30 -2,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.825 74.5 61.1 -64.9 -34.1 39.5 -22.5 7.3 102 102 A Q H 3> S+ 0 0 111 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.870 98.9 59.4 -61.9 -29.8 39.5 -21.9 3.6 103 103 A S H <> S+ 0 0 9 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.941 103.8 49.3 -65.0 -42.1 35.9 -20.8 4.0 104 104 A F H X S+ 0 0 1 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.904 111.4 50.6 -57.6 -42.5 37.1 -18.0 6.4 105 105 A Y H X S+ 0 0 20 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.922 106.5 53.5 -67.2 -36.6 39.7 -17.1 3.8 106 106 A N H X S+ 0 0 41 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.928 109.7 49.7 -60.5 -40.2 37.0 -16.9 1.1 107 107 A L H X S+ 0 0 6 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.925 110.5 48.7 -61.9 -48.1 35.1 -14.5 3.3 108 108 A I H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.947 111.2 51.0 -62.6 -39.9 38.2 -12.4 3.9 109 109 A D H X S+ 0 0 83 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.811 113.9 44.3 -61.6 -35.1 38.8 -12.3 0.1 110 110 A T H X S+ 0 0 17 -4,-1.6 4,-0.8 22,-0.2 -1,-0.2 0.899 111.5 49.6 -84.1 -40.7 35.3 -11.3 -0.6 111 111 A V H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.2 4,-0.5 0.861 104.7 62.7 -65.6 -32.3 35.0 -8.6 2.1 112 112 A Y H >X S+ 0 0 124 -4,-2.1 3,-2.1 -5,-0.3 4,-0.6 0.932 96.5 56.8 -57.8 -41.0 38.3 -7.2 0.8 113 113 A K H >< S+ 0 0 137 -4,-1.0 3,-0.6 1,-0.3 5,-0.3 0.760 93.8 68.1 -66.1 -24.5 36.7 -6.4 -2.6 114 114 A D G X< S+ 0 0 7 -3,-0.8 3,-0.5 -4,-0.8 -1,-0.3 0.703 88.4 67.5 -64.2 -22.3 34.1 -4.3 -0.9 115 115 A Q G <4 S+ 0 0 84 -3,-2.1 2,-0.6 -4,-0.5 -1,-0.2 0.852 108.2 35.3 -73.9 -33.8 36.8 -1.9 -0.0 116 116 A H G << S- 0 0 150 -3,-0.6 2,-0.4 -4,-0.6 -1,-0.3 -0.782 101.7-153.7-108.5 76.2 37.3 -0.9 -3.7 117 117 A F < + 0 0 50 -2,-0.6 2,-0.4 -3,-0.5 -3,-0.1 -0.412 24.0 169.1 -66.3 119.7 33.7 -1.3 -4.5 118 118 A T - 0 0 84 -2,-0.4 -2,-0.1 -5,-0.3 63,-0.0 -0.977 34.5-112.8-119.4 145.7 32.7 -2.1 -8.0 119 119 A M - 0 0 60 -2,-0.4 2,-0.4 1,-0.1 64,-0.1 -0.218 30.0-108.4 -70.1 155.7 29.2 -3.1 -9.1 120 120 A F - 0 0 27 62,-0.3 66,-2.9 64,-0.3 67,-0.1 -0.730 16.8-153.7 -79.0 142.1 28.3 -6.6 -10.3 121 121 A E S S+ 0 0 102 -2,-0.4 66,-3.0 64,-0.2 2,-0.3 0.854 76.3 18.2 -79.5 -38.0 27.5 -6.9 -14.0 122 122 A T S > S- 0 0 51 64,-0.2 4,-1.2 65,-0.1 3,-0.4 -0.822 78.7-108.8-128.9 172.1 25.3 -10.0 -13.6 123 123 A D H > S+ 0 0 4 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.824 112.9 66.2 -71.1 -30.0 23.3 -11.9 -11.0 124 124 A A H > S+ 0 0 73 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.845 102.5 48.1 -63.2 -34.8 25.8 -14.8 -11.1 125 125 A E H > S+ 0 0 88 -3,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.846 110.5 49.9 -69.8 -40.8 28.4 -12.4 -9.6 126 126 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.944 111.0 50.7 -62.4 -40.9 26.0 -11.2 -7.0 127 127 A F H X S+ 0 0 74 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.881 108.6 51.5 -63.9 -36.5 25.3 -14.8 -6.2 128 128 A G H X S+ 0 0 41 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.844 108.4 52.0 -68.3 -34.1 29.0 -15.5 -6.0 129 129 A Y H X S+ 0 0 18 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.895 106.8 53.2 -63.5 -43.4 29.3 -12.6 -3.6 130 130 A C H X>S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 5,-1.5 0.920 110.2 47.6 -62.8 -35.2 26.5 -14.1 -1.5 131 131 A Y H X>S+ 0 0 57 -4,-2.2 5,-2.5 3,-0.2 4,-0.5 0.953 111.8 50.8 -62.0 -48.9 28.5 -17.3 -1.4 132 132 A G H <5S+ 0 0 1 -4,-2.2 -22,-0.2 1,-0.2 -2,-0.2 0.824 121.5 30.7 -65.2 -30.1 31.7 -15.5 -0.4 133 133 A V H <5S+ 0 0 14 -4,-2.1 -1,-0.2 -23,-0.1 -2,-0.2 0.628 140.4 9.1-104.2 -21.6 30.1 -13.6 2.4 134 134 A A H X5S+ 0 0 9 -4,-1.9 4,-1.9 -5,-0.3 -3,-0.2 0.609 118.8 60.9-131.1 -37.0 27.4 -15.8 3.7 135 135 A G H X S+ 0 0 28 -6,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.947 106.3 53.7 -58.1 -44.3 29.7 -18.9 7.0 138 138 A G H < S+ 0 0 9 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.828 108.7 51.0 -57.7 -35.0 27.2 -21.7 6.4 139 139 A E H >< S+ 0 0 16 -4,-1.5 3,-0.6 2,-0.2 -1,-0.2 0.890 110.3 46.8 -69.1 -45.1 30.2 -23.9 5.6 140 140 A V H 3< S+ 0 0 2 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.951 114.9 48.2 -62.5 -38.4 32.1 -23.0 8.8 141 141 A L T >X S+ 0 0 22 -4,-3.1 4,-1.4 1,-0.2 3,-0.6 0.560 88.3 89.2 -74.4 -14.3 28.9 -23.5 10.9 142 142 A T H X> S+ 0 0 0 -3,-0.6 4,-1.1 -4,-0.5 3,-0.6 0.918 84.3 49.4 -62.9 -44.5 28.1 -26.9 9.3 143 143 A P H 34 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.781 114.6 48.5 -61.2 -29.8 30.1 -29.1 11.7 144 144 A I H <4 S+ 0 0 5 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.726 114.6 44.3 -73.0 -33.1 28.4 -27.3 14.6 145 145 A L H << S+ 0 0 5 -4,-1.4 89,-2.3 -3,-0.6 2,-0.3 0.466 118.9 24.2-101.1 -3.7 24.9 -27.6 13.1 146 146 A S < - 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0 0 95 -3,-2.1 -3,-0.2 1,-0.2 -55,-0.2 0.829 60.8 -63.3 58.0 36.7 6.8 0.3 1.3 260 260 A Y T 3 > - 0 0 77 -2,-0.5 4,-2.5 1,-0.1 3,-0.7 -0.380 17.0-118.3 -65.0 147.2 10.3 -6.9 16.9 270 270 A K H 3> S+ 0 0 87 278,-0.3 4,-2.9 1,-0.2 5,-0.2 0.843 117.9 61.6 -47.9 -33.8 11.3 -9.3 19.6 271 271 A R H 3> S+ 0 0 172 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 106.9 41.0 -68.0 -39.0 7.5 -9.6 20.1 272 272 A K H <> S+ 0 0 43 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.802 110.8 58.8 -75.6 -28.7 7.1 -11.0 16.5 273 273 A K H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.959 106.8 47.4 -61.2 -50.0 10.2 -13.1 17.0 274 274 A A H X S+ 0 0 36 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.946 108.7 55.2 -54.9 -50.3 8.5 -14.8 19.9 275 275 A K H X S+ 0 0 84 -4,-1.9 4,-2.8 1,-0.2 3,-0.2 0.939 108.7 47.5 -43.8 -55.9 5.4 -15.3 17.9 276 276 A L H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.891 107.9 55.1 -59.7 -42.1 7.4 -17.1 15.2 277 277 A F H X S+ 0 0 63 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.899 111.0 46.2 -56.2 -44.3 9.1 -19.3 17.8 278 278 A H H >X S+ 0 0 141 -4,-2.4 4,-1.1 -3,-0.2 3,-0.6 0.989 107.9 54.7 -58.9 -60.0 5.6 -20.3 19.0 279 279 A E H 3< S+ 0 0 91 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.774 114.6 44.4 -40.4 -31.4 4.3 -20.9 15.5 280 280 A I H >< S+ 0 0 10 -4,-1.4 3,-0.9 -5,-0.2 -1,-0.2 0.814 101.4 62.3 -94.1 -35.1 7.3 -23.3 15.1 281 281 A N H X< S+ 0 0 65 -4,-1.9 3,-1.2 -3,-0.6 -1,-0.2 0.652 84.3 74.9 -71.9 -15.5 7.3 -25.3 18.3 282 282 A S T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.951 100.1 47.3 -60.8 -39.0 4.0 -26.9 17.9 283 283 A K T < 0 0 131 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.444 360.0 360.0 -82.9 -0.3 5.7 -29.1 15.3 284 284 A Y < 0 0 99 -3,-1.2 0, 0.0 -4,-0.1 0, 0.0 -0.930 360.0 360.0-134.1 360.0 8.7 -29.9 17.5 285 !* 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 0.0 286 1 B M 0 0 138 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.6 31.2 17.9 -5.0 287 2 B T > - 0 0 83 1,-0.1 4,-1.5 3,-0.0 5,-0.1 -0.151 360.0-107.0 -57.2 162.7 34.6 18.9 -3.6 288 3 B M H >> S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.953 123.4 55.1 -58.4 -48.5 36.4 16.3 -1.4 289 4 B M H 3> S+ 0 0 45 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.900 106.3 52.3 -54.2 -36.8 35.6 18.4 1.7 290 5 B D H 3> S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.849 106.6 53.1 -64.2 -40.4 32.0 18.2 0.7 291 6 B M H S+ 0 0 90 -3,-0.3 4,-3.4 1,-0.2 5,-0.2 0.792 81.1 52.7 -41.0 -35.0 17.3 9.9 13.2 306 21 B S H > S+ 0 0 16 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.935 113.6 36.5 -83.1 -47.3 15.7 12.3 15.7 307 22 B F H > S+ 0 0 32 2,-0.2 4,-3.0 3,-0.2 5,-0.4 0.851 119.4 56.5 -63.3 -35.3 18.6 14.9 16.0 308 23 B S H X S+ 0 0 6 -4,-3.3 4,-1.8 -8,-0.3 -2,-0.2 0.990 106.8 44.5 -62.9 -59.4 19.1 14.1 12.3 309 24 B Y H < S+ 0 0 54 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 120.6 44.4 -43.8 -42.7 15.6 15.0 11.2 310 25 B A H >< S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.907 114.1 39.0 -86.5 -47.1 15.7 18.1 13.4 311 26 B F H >< S+ 0 0 14 -4,-3.0 3,-2.5 1,-0.2 -1,-0.2 0.742 97.7 78.8 -79.0 -21.2 19.1 19.8 12.9 312 27 B D T 3< S+ 0 0 27 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.606 82.3 69.3 -63.3 -7.2 19.1 19.1 9.2 313 28 B L T < S+ 0 0 76 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.1 0.441 79.7 107.4 -85.8 -4.2 16.7 22.1 8.9 314 29 B L S < S- 0 0 7 -3,-2.5 5,-0.1 1,-0.1 208,-0.0 -0.374 88.7 -78.7 -70.7 155.7 19.5 24.5 9.8 315 30 B P > - 0 0 55 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.144 55.7-102.5 -44.6 151.1 21.2 26.8 7.4 316 31 B E H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.846 117.3 45.1 -56.3 -45.1 23.7 24.9 5.3 317 32 B D H > S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 115.4 47.2 -74.2 -35.2 26.9 26.0 7.0 318 33 B Q H > S+ 0 0 34 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.883 111.2 51.5 -66.1 -40.7 25.5 25.5 10.5 319 34 B R H X S+ 0 0 68 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.866 107.2 53.3 -70.9 -28.1 24.1 22.1 9.7 320 35 B K H X S+ 0 0 27 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.889 107.0 52.0 -71.5 -37.7 27.5 20.9 8.3 321 36 B A H X S+ 0 0 5 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.975 108.4 51.5 -61.6 -48.5 29.1 21.9 11.5 322 37 B V H X S+ 0 0 3 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.894 108.1 52.3 -50.9 -45.2 26.6 19.9 13.5 323 38 B W H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.908 111.4 45.2 -62.7 -51.8 27.3 16.8 11.3 324 39 B A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.922 116.1 46.2 -53.1 -49.8 31.0 17.0 11.8 325 40 B I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.980 115.2 45.7 -66.9 -45.8 30.7 17.5 15.6 326 41 B Y H X S+ 0 0 23 -4,-3.1 4,-3.3 1,-0.2 -1,-0.2 0.873 109.7 54.0 -59.2 -44.8 28.1 14.8 16.0 327 42 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.877 108.5 50.6 -67.3 -31.5 30.0 12.3 13.9 328 43 B V H X S+ 0 0 2 -4,-1.8 4,-2.1 -3,-0.2 -2,-0.2 0.983 113.2 44.7 -66.8 -45.0 33.0 12.8 16.1 329 44 B C H X S+ 0 0 13 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.882 113.4 51.5 -64.8 -38.9 30.9 12.3 19.2 330 45 B R H X S+ 0 0 50 -4,-3.3 4,-3.4 1,-0.2 5,-0.2 0.889 110.8 46.7 -66.6 -42.4 29.2 9.2 17.7 331 46 B K H X S+ 0 0 31 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.777 112.8 50.3 -68.6 -37.1 32.6 7.6 16.7 332 47 B I H X S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.971 117.3 40.8 -58.5 -55.0 33.9 8.3 20.2 333 48 B D H >X S+ 0 0 25 -4,-3.1 4,-2.7 1,-0.2 3,-0.9 0.924 116.1 46.7 -60.4 -54.4 30.8 6.8 21.8 334 49 B D H 3X>S+ 0 0 22 -4,-3.4 4,-2.1 1,-0.3 5,-1.9 0.800 99.8 70.6 -64.7 -24.3 30.4 3.8 19.4 335 50 B S H 3<5S+ 0 0 2 -4,-1.0 6,-3.4 -5,-0.2 -1,-0.3 0.868 115.3 23.1 -62.6 -38.6 34.1 3.0 19.7 336 51 B I H + 0 0 44 -6,-3.4 4,-1.5 1,-0.2 -1,-0.2 -0.738 20.9 168.9-102.8 98.7 38.1 -0.4 21.2 342 57 B I H > S+ 0 0 74 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.782 77.5 59.8 -75.7 -32.1 40.2 1.7 23.5 343 58 B Q H > S+ 0 0 131 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.906 107.7 46.3 -64.1 -36.4 43.1 2.0 21.0 344 59 B F H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.869 107.7 56.5 -77.6 -35.1 40.8 3.7 18.5 345 60 B L H X S+ 0 0 4 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.951 108.5 48.5 -56.7 -47.4 39.3 6.0 21.2 346 61 B N H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.791 106.5 54.8 -64.9 -35.2 42.9 7.2 21.9 347 62 B Q H X S+ 0 0 46 -4,-1.3 4,-2.6 2,-0.2 20,-0.4 0.874 108.9 50.3 -63.6 -37.3 43.6 7.8 18.2 348 63 B I H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.929 109.6 49.0 -62.5 -48.8 40.6 10.0 18.0 349 64 B K H X S+ 0 0 54 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.936 112.7 48.7 -59.2 -42.2 41.7 11.9 21.1 350 65 B E H X S+ 0 0 78 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.907 109.2 52.5 -65.7 -37.4 45.1 12.3 19.5 351 66 B D H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.954 110.6 47.5 -61.9 -45.3 43.6 13.4 16.2 352 67 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.898 108.0 55.1 -66.2 -40.3 41.6 16.1 18.0 353 68 B Q H X S+ 0 0 77 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.880 105.3 54.1 -58.1 -39.5 44.7 17.2 19.9 354 69 B S H X S+ 0 0 39 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.916 109.1 47.9 -56.8 -45.9 46.4 17.7 16.6 355 70 B I H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.938 112.2 49.0 -65.7 -42.2 43.6 19.9 15.4 356 71 B E H < S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 118.1 39.6 -58.9 -45.4 43.6 22.0 18.6 357 72 B K H < S+ 0 0 148 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 134.2 18.3 -78.7 -39.6 47.3 22.5 18.5 358 73 B Y >< + 0 0 124 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 -0.609 66.9 168.0-134.6 70.5 47.8 23.1 14.8 359 74 B P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.743 79.6 42.9 -60.8 -23.2 44.4 24.0 13.3 360 75 B Y T 3 S+ 0 0 160 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.268 96.3 89.2-111.6 7.6 45.8 25.1 10.0 361 76 B E S < S- 0 0 121 -3,-1.5 2,-0.5 -7,-0.2 -3,-0.1 -0.706 82.3-104.8-101.1 158.8 48.4 22.4 9.3 362 77 B Y - 0 0 123 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.717 37.6-165.5 -83.9 128.5 47.8 19.1 7.5 363 78 B H - 0 0 22 -2,-0.5 2,-1.2 -5,-0.0 -12,-0.0 -0.882 25.6-134.7-112.3 142.0 47.6 16.1 9.8 364 79 B H - 0 0 162 -2,-0.4 -2,-0.0 2,-0.0 2,-0.0 -0.799 39.4-144.7 -86.4 89.5 47.8 12.4 8.9 365 80 B F - 0 0 22 -2,-1.2 4,-0.2 1,-0.1 -17,-0.1 -0.338 13.4-156.3 -67.0 138.7 44.8 11.5 11.1 366 81 B Q S S+ 0 0 87 -19,-0.4 -18,-0.1 2,-0.1 -1,-0.1 0.709 77.4 38.8 -86.3 -21.9 45.0 8.2 12.8 367 82 B S S S- 0 0 19 -20,-0.4 2,-0.6 1,-0.2 -19,-0.1 0.823 125.7 -13.7 -99.0 -96.7 41.4 7.5 13.4 368 83 B D >> - 0 0 18 1,-0.2 4,-1.8 -21,-0.1 3,-0.5 -0.920 59.6-161.9-112.2 108.4 38.7 8.4 10.9 369 84 B R H 3> S+ 0 0 110 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.870 84.1 51.7 -54.7 -45.3 40.2 10.7 8.3 370 85 B R H 3> S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.799 110.2 46.1 -70.6 -36.3 37.0 12.1 6.8 371 86 B I H <> S+ 0 0 2 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.926 113.9 48.8 -70.7 -41.5 35.4 13.1 10.1 372 87 B M H X S+ 0 0 4 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.864 107.9 54.2 -67.5 -39.0 38.6 14.8 11.4 373 88 B M H X S+ 0 0 25 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.945 113.2 44.0 -57.7 -45.4 39.1 16.7 8.1 374 89 B A H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.923 113.6 49.6 -66.3 -43.8 35.5 18.0 8.5 375 90 B L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.942 111.4 49.7 -60.7 -45.4 36.1 18.7 12.2 376 91 B Q H X S+ 0 0 10 -4,-3.4 4,-1.2 2,-0.2 -1,-0.2 0.878 109.7 52.2 -56.4 -40.8 39.3 20.5 11.4 377 92 B H H >X S+ 0 0 54 -4,-2.0 3,-0.6 -5,-0.2 4,-0.5 0.943 111.1 45.8 -64.0 -45.6 37.4 22.5 8.8 378 93 B V H >X S+ 0 0 8 -4,-2.7 4,-2.0 1,-0.2 3,-1.3 0.893 109.7 56.4 -62.0 -37.0 34.8 23.5 11.3 379 94 B A H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 5,-0.2 0.721 98.7 60.1 -68.8 -28.4 37.5 24.4 13.8 380 95 B Q H << S+ 0 0 54 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.691 119.4 28.2 -71.3 -14.3 39.1 26.8 11.3 381 96 B H H << S+ 0 0 132 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.516 121.9 44.8-123.5 -24.7 35.9 28.9 11.2 382 97 B K S < S- 0 0 86 -4,-2.0 2,-0.7 -5,-0.1 -1,-0.1 -0.912 84.0-106.6-121.9 158.6 34.3 28.3 14.6 383 98 B N - 0 0 92 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.782 36.5-159.6 -82.1 114.9 35.5 28.2 18.2 384 99 B I - 0 0 10 -2,-0.7 2,-2.0 -5,-0.2 3,-0.2 -0.871 18.0-136.0 -96.6 126.7 35.6 24.6 19.3 385 100 B A >> - 0 0 25 -2,-0.5 3,-1.3 1,-0.2 4,-0.9 -0.597 28.8-178.3 -74.9 77.5 35.6 23.9 23.0 386 101 B F H >> S+ 0 0 30 -2,-2.0 4,-1.5 1,-0.3 3,-1.0 0.884 73.6 61.7 -49.7 -39.8 38.3 21.2 22.7 387 102 B Q H 3> S+ 0 0 110 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.822 96.7 60.5 -60.4 -28.8 38.3 20.4 26.4 388 103 B S H <> S+ 0 0 8 -3,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.876 102.5 51.3 -69.7 -31.3 34.6 19.3 26.1 389 104 B F H X S+ 0 0 16 -4,-2.1 4,-1.4 22,-0.2 3,-0.5 0.944 110.9 49.4 -71.7 -43.1 33.8 9.8 30.3 396 111 B V H 3< S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.3 3,-0.2 0.894 105.4 60.5 -66.9 -32.7 33.1 7.3 27.5 397 112 B Y H >< S+ 0 0 114 -4,-2.2 3,-1.7 1,-0.2 -1,-0.3 0.892 99.5 54.9 -58.2 -40.5 36.4 5.6 28.4 398 113 B K H X< S+ 0 0 142 -4,-1.1 3,-2.5 -3,-0.5 -1,-0.2 0.885 96.1 66.9 -63.9 -33.8 35.0 4.9 31.9 399 114 B D G >< S+ 0 0 6 -4,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.669 94.0 60.0 -56.3 -19.4 32.0 3.2 30.3 400 115 B Q G < S+ 0 0 70 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.390 109.7 39.8 -93.3 -8.4 34.5 0.5 29.1 401 116 B H G < S- 0 0 150 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.1 -0.555 104.1-152.8-124.6 57.0 35.4 -0.4 32.6 402 117 B F < + 0 0 55 -3,-0.5 2,-0.4 1,-0.1 -3,-0.1 -0.060 23.6 174.4 -64.0 142.2 31.9 -0.1 33.7 403 118 B T - 0 0 101 -5,-0.0 -2,-0.1 64,-0.0 -1,-0.1 -0.997 30.8-120.7-142.3 121.5 30.9 0.9 37.3 404 119 B M - 0 0 51 -2,-0.4 2,-0.4 1,-0.1 64,-0.1 -0.295 34.9-110.8 -57.1 146.8 27.5 1.6 38.7 405 120 B F - 0 0 24 62,-0.3 66,-3.0 64,-0.3 67,-0.2 -0.749 16.0-154.4 -80.4 137.4 27.0 5.0 40.2 406 121 B E S S+ 0 0 93 -2,-0.4 66,-2.3 64,-0.2 2,-0.3 0.910 77.4 27.0 -71.5 -42.4 26.5 5.2 43.9 407 122 B T S >> S- 0 0 55 64,-0.1 4,-1.5 65,-0.1 3,-0.5 -0.816 76.3-117.7-127.0 156.8 24.5 8.5 43.8 408 123 B D H 3> S+ 0 0 10 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.805 114.7 67.7 -57.9 -34.3 22.3 10.5 41.4 409 124 B A H 3> S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 100.5 45.8 -48.4 -48.8 25.1 13.0 41.6 410 125 B E H <> S+ 0 0 92 -3,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.843 111.2 52.9 -70.3 -33.2 27.4 10.7 39.8 411 126 B L H >X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.8 0.951 109.9 47.4 -59.8 -52.9 24.7 9.9 37.2 412 127 B F H 3X S+ 0 0 70 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.829 107.2 57.6 -61.8 -33.8 24.2 13.6 36.5 413 128 B G H 3X S+ 0 0 41 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.808 107.3 49.3 -56.9 -36.1 28.0 14.0 36.2 414 129 B Y H S+ 0 0 2 -4,-2.1 5,-1.8 1,-0.2 4,-1.7 0.907 111.7 48.2 -52.1 -38.5 25.0 13.1 31.7 416 131 B Y H <>S+ 0 0 57 -4,-1.9 5,-2.4 3,-0.2 -2,-0.2 0.941 112.1 45.2 -66.5 -51.8 27.3 16.1 31.7 417 132 B G H <5S+ 0 0 2 -4,-2.0 -22,-0.2 1,-0.2 -1,-0.2 0.847 123.1 35.8 -68.5 -24.5 30.4 14.3 30.5 418 133 B V H <5S+ 0 0 12 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.649 139.3 5.0-105.7 -21.6 28.6 12.4 27.7 419 134 B A T X5S+ 0 0 10 -4,-1.7 4,-2.3 -5,-0.3 -3,-0.2 0.590 119.2 61.2-133.3 -41.6 26.1 15.0 26.6 420 135 B G H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.951 107.6 51.2 -61.2 -47.2 28.2 18.0 23.3 423 138 B G H X S+ 0 0 9 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.892 110.7 50.3 -51.6 -41.8 25.8 20.9 24.1 424 139 B E H >< S+ 0 0 19 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.914 110.3 47.8 -64.3 -47.5 28.9 23.0 25.0 425 140 B V H 3< S+ 0 0 2 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.932 114.2 48.6 -59.2 -36.8 30.7 22.1 21.7 426 141 B L H >X S+ 0 0 22 -4,-2.7 4,-1.7 1,-0.2 3,-1.6 0.618 87.0 90.6 -79.0 -15.7 27.6 22.9 19.8 427 142 B T T << S+ 0 0 0 -4,-0.8 4,-0.3 -3,-0.7 7,-0.3 0.860 82.2 51.5 -60.0 -43.0 26.9 26.3 21.4 428 143 B P T 34 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.720 112.4 50.3 -66.6 -18.6 28.9 28.5 19.0 429 144 B I T <4 S+ 0 0 3 -3,-1.6 -2,-0.2 -4,-0.2 -3,-0.1 0.834 109.7 47.5 -83.0 -38.8 27.0 26.9 16.2 430 145 B L S < S+ 0 0 5 -4,-1.7 89,-2.8 -3,-0.1 2,-0.3 0.223 123.5 19.9 -90.4 15.0 23.5 27.4 17.7 431 146 B S - 0 0 1 -4,-0.3 87,-0.1 87,-0.3 86,-0.0 -0.989 50.3-145.9-165.6 173.3 24.2 31.0 18.5 432 147 B D S S+ 0 0 110 -2,-0.3 -1,-0.1 -3,-0.0 86,-0.1 0.498 98.2 57.9-116.2 -21.9 26.2 34.1 18.0 433 148 B H S S- 0 0 90 84,-0.3 85,-0.1 2,-0.1 -2,-0.0 0.901 70.4-178.5 -75.9 -40.1 26.1 35.4 21.4 434 149 B E + 0 0 71 -7,-0.3 2,-0.3 83,-0.2 84,-0.1 0.905 18.9 165.1 26.9 92.5 27.7 32.5 23.1 435 150 B T > - 0 0 57 82,-0.1 4,-2.3 1,-0.1 5,-0.3 -0.792 58.2 -95.5-116.1 168.5 27.5 33.8 26.6 436 151 B H H > S+ 0 0 155 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.856 129.2 55.3 -40.7 -39.1 27.9 31.9 29.9 437 152 B Q H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.949 104.6 49.8 -68.7 -44.4 24.1 31.7 29.7 438 153 B T H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.940 112.1 48.7 -58.2 -45.0 24.0 30.1 26.3 439 154 B Y H X S+ 0 0 43 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.893 109.1 54.9 -63.6 -35.0 26.5 27.5 27.4 440 155 B D H X S+ 0 0 62 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.949 112.2 40.3 -65.3 -48.5 24.4 26.9 30.5 441 156 B V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.935 114.2 53.6 -66.1 -44.9 21.2 26.1 28.6 442 157 B A H X S+ 0 0 3 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.953 109.8 49.1 -55.3 -47.6 23.1 24.2 26.0 443 158 B R H X S+ 0 0 64 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.917 112.8 45.8 -55.5 -48.3 24.6 22.0 28.7 444 159 B R H X S+ 0 0 54 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.858 109.7 54.9 -70.2 -35.3 21.3 21.4 30.4 445 160 B L H X S+ 0 0 17 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.979 109.2 48.8 -55.9 -52.2 19.6 20.6 27.1 446 161 B G H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.901 112.5 46.4 -54.0 -46.9 22.3 18.0 26.5 447 162 B E H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.885 111.1 52.3 -71.8 -32.9 21.9 16.4 29.9 448 163 B S H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.963 110.3 48.8 -64.4 -45.1 18.2 16.3 29.6 449 164 B L H X S+ 0 0 20 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.921 110.9 50.8 -57.3 -42.9 18.5 14.6 26.3 450 165 B Q H X S+ 0 0 27 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.862 107.0 53.1 -66.5 -38.6 20.9 12.1 27.8 451 166 B L H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.946 111.5 45.4 -63.3 -46.1 18.6 11.3 30.6 452 167 B I H X S+ 0 0 2 -4,-2.2 4,-1.3 1,-0.2 5,-0.2 0.963 111.4 54.5 -59.0 -47.0 15.8 10.6 28.2 453 168 B N H >X S+ 0 0 30 -4,-3.3 4,-1.5 1,-0.2 3,-0.8 0.906 109.7 46.7 -46.5 -52.1 18.3 8.6 26.2 454 169 B I H 3< S+ 0 0 4 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.880 108.7 55.8 -63.6 -31.5 19.1 6.6 29.4 455 170 B L H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.649 109.6 45.3 -81.5 -14.7 15.3 6.1 30.1 456 171 B R H << S+ 0 0 30 -4,-1.3 95,-0.3 -3,-0.8 4,-0.3 0.778 114.3 48.9 -90.6 -26.4 14.7 4.5 26.6 457 172 B D S X S+ 0 0 7 -4,-1.5 4,-4.2 -5,-0.2 5,-0.3 0.264 70.2 111.9-108.1 10.1 17.7 2.2 26.8 458 173 B V H > S+ 0 0 14 -4,-0.5 4,-3.2 2,-0.2 5,-0.2 0.948 85.9 41.2 -42.3 -66.1 17.4 0.6 30.2 459 174 B G H > S+ 0 0 3 87,-0.3 4,-2.5 1,-0.2 5,-0.2 0.925 119.4 44.2 -51.2 -55.5 16.7 -2.9 28.8 460 175 B E H > S+ 0 0 48 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.890 113.6 51.8 -56.5 -46.5 19.3 -2.6 26.0 461 176 B D H ><>S+ 0 0 22 -4,-4.2 5,-2.4 2,-0.2 3,-0.8 0.922 109.4 49.8 -57.2 -43.6 21.8 -1.2 28.4 462 177 B F H ><5S+ 0 0 54 -4,-3.2 3,-2.1 -5,-0.3 -2,-0.2 0.924 104.7 57.2 -63.8 -41.7 21.2 -4.1 30.8 463 178 B E H 3<5S+ 0 0 47 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.751 109.1 48.4 -54.8 -24.3 21.7 -6.5 28.0 464 179 B N T <<5S- 0 0 39 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.463 126.0-103.5-100.0 2.9 25.0 -4.8 27.6 465 180 B E T < 5S+ 0 0 99 -3,-2.1 2,-0.4 -4,-0.3 -3,-0.2 0.739 81.6 114.7 80.3 27.2 25.8 -5.1 31.3 466 181 B R < - 0 0 26 -5,-2.4 2,-0.4 -8,-0.2 -1,-0.3 -0.992 38.2-176.9-129.3 139.4 25.2 -1.6 32.4 467 182 B I - 0 0 30 -2,-0.4 -62,-0.3 -3,-0.1 -9,-0.0 -0.999 2.6-174.8-122.5 140.6 22.7 0.1 34.6 468 183 B Y + 0 0 10 -2,-0.4 2,-0.2 -14,-0.1 -1,-0.1 0.514 55.8 102.4-115.7 -21.1 22.8 3.9 34.9 469 184 B F S S- 0 0 3 -15,-0.1 -64,-0.3 1,-0.1 2,-0.2 -0.525 85.6-105.2 -46.9 132.5 20.2 4.3 37.5 470 185 B S > - 0 0 0 -2,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.465 12.9-127.0 -71.3 141.8 22.2 5.0 40.8 471 186 B K H > S+ 0 0 98 -66,-3.0 4,-3.6 1,-0.2 3,-0.4 0.966 111.3 59.2 -43.1 -57.7 22.5 2.2 43.4 472 187 B Q H > S+ 0 0 64 -66,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.855 111.1 39.4 -37.0 -53.8 21.2 4.7 45.9 473 188 B R H > S+ 0 0 44 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.801 114.0 52.1 -79.8 -32.8 17.9 5.1 44.0 474 189 B L H X>S+ 0 0 16 -4,-2.5 5,-1.9 -3,-0.4 4,-0.6 0.896 110.6 51.5 -61.6 -46.6 17.6 1.5 43.0 475 190 B K H ><5S+ 0 0 169 -4,-3.6 3,-0.7 -5,-0.2 -2,-0.2 0.947 110.4 49.5 -49.0 -52.8 18.0 0.7 46.7 476 191 B Q H 3<5S+ 0 0 97 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.845 116.1 36.4 -66.5 -40.8 15.3 3.1 47.6 477 192 B Y H 3<5S- 0 0 56 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.390 110.6-119.5 -92.3 2.9 12.6 2.1 45.3 478 193 B E T <<5 + 0 0 141 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.984 55.0 155.1 59.5 64.9 13.5 -1.5 45.7 479 194 B V < - 0 0 20 -5,-1.9 2,-0.5 13,-0.1 -1,-0.2 -0.977 33.7-167.8-128.4 138.0 14.4 -2.6 42.2 480 195 B D >> - 0 0 93 -2,-0.4 4,-2.7 1,-0.2 3,-1.4 -0.938 10.0-161.4-121.4 105.1 16.7 -5.2 40.6 481 196 B I H 3> S+ 0 0 4 -2,-0.5 4,-3.3 1,-0.3 5,-0.3 0.929 93.2 57.0 -56.3 -37.0 17.0 -4.5 37.0 482 197 B A H 3> S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.780 112.9 42.0 -64.9 -28.7 18.2 -8.1 36.4 483 198 B E H X> S+ 0 0 86 -3,-1.4 4,-2.7 2,-0.2 3,-0.9 0.944 113.7 48.0 -75.5 -61.5 14.9 -9.2 38.0 484 199 B V H 3X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.876 110.9 54.1 -52.9 -37.4 12.5 -6.7 36.3 485 200 B Y H 3< S+ 0 0 49 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.924 114.8 41.8 -53.4 -40.3 14.2 -7.6 33.1 486 201 B Q H << S+ 0 0 151 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.841 130.9 19.8 -87.5 -30.2 13.4 -11.2 33.8 487 202 B N H < S- 0 0 102 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.438 108.7-102.9-124.3 -9.1 9.9 -10.9 35.1 488 203 B G < - 0 0 35 -4,-2.6 2,-1.1 -5,-0.4 -1,-0.2 -0.124 49.7 -36.7 105.2 162.6 8.5 -7.6 34.0 489 204 B V - 0 0 42 55,-0.2 57,-0.1 -4,-0.1 -4,-0.0 -0.395 56.3-176.8 -73.3 96.6 7.7 -4.1 34.9 490 205 B N > - 0 0 47 -2,-1.1 4,-1.6 1,-0.1 5,-0.1 -0.193 43.3 -96.6 -77.2-177.5 6.4 -4.0 38.4 491 206 B N H > S+ 0 0 124 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.688 120.8 58.8 -76.3 -23.9 5.1 -0.9 40.1 492 207 B H H > S+ 0 0 85 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.918 105.4 48.2 -70.0 -48.5 8.5 -0.2 41.8 493 208 B Y H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.955 109.9 52.7 -53.7 -50.8 10.3 -0.0 38.5 494 209 B I H X S+ 0 0 32 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.804 108.5 51.4 -56.8 -35.5 7.7 2.4 37.1 495 210 B D H X S+ 0 0 71 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.931 112.4 43.9 -68.3 -50.7 8.2 4.6 40.2 496 211 B L H >X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 3,-0.9 0.998 116.5 48.8 -52.5 -59.5 11.9 4.8 39.8 497 212 B W H 3X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.3 -2,-0.2 0.868 112.3 47.2 -44.4 -52.8 11.5 5.3 36.1 498 213 B E H 3X S+ 0 0 52 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.3 0.811 106.8 58.9 -69.1 -27.5 8.9 8.0 36.6 499 214 B Y H X S+ 0 0 40 -4,-2.2 4,-2.9 1,-0.2 3,-0.7 0.930 104.9 59.1 -60.1 -44.7 13.5 20.4 29.4 509 224 B R H 3X S+ 0 0 123 -4,-2.1 4,-3.4 1,-0.3 5,-0.2 0.932 102.6 50.0 -46.1 -56.6 10.9 22.9 30.6 510 225 B D H 3X S+ 0 0 57 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.768 111.8 51.8 -57.7 -28.0 13.6 25.2 32.0 511 226 B V H X< S+ 0 0 1 -4,-1.1 3,-1.1 -3,-0.7 -2,-0.2 0.959 111.7 42.6 -71.3 -57.3 15.4 24.9 28.7 512 227 B M H >< S+ 0 0 31 -4,-2.9 3,-3.9 1,-0.3 4,-0.3 0.982 110.8 58.7 -47.5 -54.2 12.3 25.8 26.6 513 228 B D H 3< S+ 0 0 119 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.758 116.4 34.2 -45.0 -31.9 11.7 28.5 29.2 514 229 B Q T X< S+ 0 0 44 -3,-1.1 3,-1.7 -4,-0.6 -1,-0.3 0.174 81.0 123.5-112.1 20.7 15.2 29.8 28.3 515 230 B I G X + 0 0 24 -3,-3.9 3,-1.2 1,-0.3 -1,-0.1 0.662 55.8 79.9 -58.9 -14.9 15.0 28.9 24.6 516 231 B K G 3 S+ 0 0 125 -4,-0.3 -1,-0.3 1,-0.3 7,-0.1 0.475 72.4 77.9 -79.5 0.9 15.7 32.5 23.6 517 232 B V G < S+ 0 0 5 -3,-1.7 -84,-0.3 -80,-0.1 -1,-0.3 0.723 82.7 74.7 -81.0 -26.3 19.4 32.2 24.1 518 233 B F S < S- 0 0 1 -3,-1.2 -87,-0.3 -4,-0.2 5,-0.1 -0.366 99.0 -81.2 -80.6 166.5 20.1 30.3 20.9 519 234 B S >> - 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