==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUN-04 1TW2 . COMPND 2 MOLECULE: CARMINOMYCIN 4-O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PEUCETIUS; . AUTHOR A.JANSSON,H.KOSKINIEMI,P.MANTSALA,J.NIEMI,G.SCHNEIDER, . 690 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 36 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 4 6 3 3 2 2 5 1 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 1 1 0 1 1 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 . 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 14 A D 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.5 44.8 46.3 33.4 2 15 A A > + 0 0 34 424,-0.1 4,-1.0 425,-0.0 0, 0.0 0.173 360.0 87.6-163.2 20.9 44.1 48.9 30.6 3 16 A L H > S+ 0 0 61 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.599 96.5 52.4 -80.3 -21.8 45.4 47.2 27.4 4 17 A R H > S+ 0 0 85 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.740 103.2 57.5 -76.5 -28.8 41.8 45.9 27.6 5 18 A T H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.901 108.5 44.9 -65.2 -42.6 40.8 49.6 27.9 6 19 A L H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.871 111.7 51.3 -67.0 -41.9 42.5 50.4 24.6 7 20 A I H < S+ 0 0 41 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.899 110.2 50.5 -62.8 -40.4 41.1 47.4 22.8 8 21 A R H >< S+ 0 0 148 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.917 111.4 47.8 -62.2 -46.0 37.6 48.4 23.9 9 22 A L H 3< S+ 0 0 18 -4,-1.8 359,-0.2 1,-0.3 -2,-0.2 0.852 116.1 43.8 -67.0 -34.6 38.1 52.0 22.7 10 23 A G T 3< S+ 0 0 0 -4,-2.1 2,-0.5 -5,-0.1 -1,-0.3 0.238 84.1 129.9 -94.1 14.3 39.4 50.8 19.3 11 24 A S < + 0 0 8 -3,-1.2 355,-0.1 1,-0.2 -3,-0.1 -0.579 30.4 176.8 -81.1 119.0 36.8 48.1 18.8 12 25 A L S > S+ 0 0 0 -2,-0.5 4,-1.6 2,-0.1 -1,-0.2 0.764 77.5 67.8 -83.5 -29.1 35.1 48.2 15.4 13 26 A H H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 94.7 53.8 -44.8 -62.0 33.2 45.0 16.3 14 27 A T H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.891 110.0 40.8 -56.2 -57.4 31.1 46.4 19.0 15 28 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.892 115.9 52.7 -61.3 -38.6 29.4 49.4 17.2 16 29 A M H X S+ 0 0 2 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.892 110.2 48.5 -64.2 -34.8 28.9 47.3 14.1 17 30 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.891 111.7 48.8 -69.2 -42.0 27.2 44.7 16.3 18 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 341,-0.2 -2,-0.2 0.968 113.4 47.9 -58.9 -51.7 25.0 47.3 17.9 19 32 A R H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 76,-0.5 0.801 112.2 47.3 -63.8 -32.9 24.1 48.7 14.5 20 33 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 6,-0.2 0.878 108.7 54.5 -78.7 -32.4 23.3 45.3 12.9 21 34 A A H <>S+ 0 0 2 -4,-2.2 5,-2.2 1,-0.2 6,-0.3 0.917 112.9 45.2 -59.9 -36.8 21.2 44.4 15.9 22 35 A A H ><5S+ 0 0 1 -4,-2.0 3,-1.3 71,-0.2 -2,-0.2 0.902 110.5 51.6 -71.9 -43.0 19.3 47.7 15.2 23 36 A T H 3<5S+ 0 0 18 -4,-2.2 -1,-0.2 70,-0.4 -2,-0.2 0.826 109.9 50.6 -61.3 -34.1 19.0 47.2 11.4 24 37 A L T 3<5S- 0 0 9 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.461 107.7-124.7 -84.4 -3.2 17.6 43.7 12.0 25 38 A R T <>5 + 0 0 105 -3,-1.3 4,-2.3 -4,-0.2 5,-0.2 0.807 53.7 161.2 58.6 32.8 15.0 45.0 14.5 26 39 A L H >< + 0 0 1 -5,-2.2 4,-1.8 1,-0.2 5,-0.2 0.903 66.6 43.5 -52.5 -56.7 16.5 42.3 16.8 27 40 A V H > S+ 0 0 5 -6,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.880 112.8 55.1 -59.9 -37.6 15.2 43.7 20.1 28 41 A D H > S+ 0 0 37 53,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.911 106.2 50.0 -62.3 -45.0 11.7 44.3 18.6 29 42 A H H <>S+ 0 0 44 -4,-2.3 5,-1.3 2,-0.2 4,-0.4 0.865 108.6 52.6 -64.3 -36.9 11.3 40.7 17.4 30 43 A I H ><5S+ 0 0 18 -4,-1.8 3,-1.1 -5,-0.2 4,-0.5 0.941 112.3 45.2 -62.1 -45.6 12.2 39.3 20.9 31 44 A L H 3<5S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.769 107.5 60.2 -68.2 -24.5 9.6 41.6 22.5 32 45 A A T 3<5S- 0 0 70 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.521 136.3 -71.7 -84.0 -4.0 7.0 40.6 19.8 33 46 A G T < 5S+ 0 0 51 -3,-1.1 2,-0.9 -4,-0.4 -3,-0.2 0.624 85.8 136.3 118.8 24.8 7.2 36.8 20.6 34 47 A A < + 0 0 3 -5,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 -0.829 13.8 158.4-102.1 94.8 10.6 35.5 19.5 35 48 A R + 0 0 159 -2,-0.9 37,-0.5 36,-0.1 2,-0.2 0.798 55.5 55.3 -84.2 -32.5 11.8 33.3 22.4 36 49 A T S > S- 0 0 72 35,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.682 80.8-121.1-107.5 156.8 14.3 31.1 20.5 37 50 A V H > S+ 0 0 26 33,-0.6 4,-1.7 -2,-0.2 5,-0.1 0.794 115.5 57.2 -60.7 -27.3 17.3 31.7 18.3 38 51 A K H > S+ 0 0 166 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 108.6 43.0 -72.8 -42.2 15.5 29.8 15.6 39 52 A A H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 113.4 52.1 -68.8 -44.8 12.5 32.1 15.7 40 53 A L H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.854 109.7 50.1 -55.9 -40.0 14.7 35.2 15.9 41 54 A A H X>S+ 0 0 2 -4,-1.7 5,-2.7 2,-0.2 4,-0.8 0.890 110.6 49.8 -68.8 -41.0 16.6 33.9 12.8 42 55 A A H <5S+ 0 0 72 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.919 113.4 45.3 -59.6 -45.5 13.3 33.4 10.9 43 56 A R H <5S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.819 119.4 39.5 -71.5 -34.4 12.0 36.9 11.7 44 57 A T H <5S- 0 0 11 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.516 108.8-123.5 -89.3 -9.6 15.3 38.7 10.9 45 58 A D T <5 + 0 0 129 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.953 64.2 137.8 59.4 52.9 15.9 36.4 7.9 46 59 A T < - 0 0 12 -5,-2.7 418,-0.2 -6,-0.1 -1,-0.2 -0.770 63.8 -94.9-121.9 167.3 19.3 35.3 9.2 47 60 A R > - 0 0 139 416,-2.0 4,-2.5 -2,-0.3 5,-0.2 -0.728 34.4-135.4 -78.1 126.5 21.3 32.1 9.5 48 61 A P H > S+ 0 0 69 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.844 102.2 49.1 -52.9 -41.3 20.7 30.6 13.0 49 62 A E H > S+ 0 0 86 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.946 114.2 44.6 -66.5 -46.1 24.4 29.8 13.6 50 63 A A H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.848 110.9 54.5 -67.8 -35.5 25.6 33.3 12.6 51 64 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 412,-0.2 -1,-0.2 0.896 105.5 53.3 -60.6 -40.0 22.9 35.0 14.6 52 65 A L H X S+ 0 0 27 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.895 106.9 52.4 -65.6 -34.4 24.0 33.1 17.6 53 66 A R H X S+ 0 0 19 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.847 109.9 48.8 -68.1 -34.0 27.5 34.5 17.0 54 67 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 3,-0.3 0.926 111.1 49.5 -67.2 -44.5 26.1 38.0 16.9 55 68 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.780 99.7 65.9 -71.6 -22.9 24.1 37.4 20.1 56 69 A R H X S+ 0 0 4 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.964 108.7 39.9 -54.8 -49.4 27.3 36.1 21.8 57 70 A H H X S+ 0 0 1 -4,-1.1 4,-1.4 -3,-0.3 -2,-0.2 0.825 110.1 57.7 -71.5 -34.3 28.7 39.6 21.5 58 71 A L H <>S+ 0 0 2 -4,-1.6 6,-1.9 1,-0.2 5,-1.8 0.809 109.1 47.9 -64.4 -33.6 25.4 41.3 22.3 59 72 A V H ><5S+ 0 0 35 -4,-2.1 3,-0.7 4,-0.2 -2,-0.2 0.896 109.6 53.1 -68.2 -39.8 25.5 39.5 25.6 60 73 A A H 3<5S+ 0 0 29 -4,-1.6 571,-0.2 1,-0.2 -2,-0.2 0.730 111.2 44.2 -71.8 -26.4 29.2 40.4 26.3 61 74 A I T 3<5S- 0 0 22 -4,-1.4 -1,-0.2 569,-0.1 -2,-0.2 0.368 120.6-104.1-102.7 -1.4 28.6 44.2 25.8 62 75 A G T < 5S+ 0 0 32 -3,-0.7 16,-0.5 -4,-0.3 15,-0.3 0.471 90.0 109.0 103.8 7.2 25.4 44.2 27.9 63 76 A L S S- 0 0 30 3,-0.2 3,-2.1 1,-0.1 -1,-0.6 -0.663 114.4 -63.2 -99.6 162.4 16.3 30.4 30.2 69 82 A P T 3 S- 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.245 123.7 -2.7 -52.4 120.6 18.8 28.2 28.3 70 83 A G T 3 S+ 0 0 37 1,-0.2 -33,-0.6 -34,-0.1 2,-0.5 0.762 105.6 120.0 65.5 27.9 19.3 29.6 24.7 71 84 A E < - 0 0 37 -3,-2.1 -4,-2.5 -35,-0.1 2,-0.4 -0.974 48.0-160.6-127.4 114.6 16.6 32.2 25.4 72 85 A F E -A 66 0A 7 -37,-0.5 -6,-0.2 -2,-0.5 -8,-0.0 -0.823 9.9-178.4-112.1 138.6 17.8 35.8 25.0 73 86 A V E -A 65 0A 39 -8,-2.7 -8,-1.6 -2,-0.4 5,-0.1 -0.981 30.8-104.0-139.0 134.8 16.2 38.9 26.3 74 87 A P E -A 64 0A 8 0, 0.0 -10,-0.2 0, 0.0 -11,-0.1 -0.301 31.2-140.2 -61.8 140.3 17.0 42.7 26.1 75 88 A T > - 0 0 24 -12,-1.4 4,-2.2 -13,-0.1 5,-0.1 -0.267 40.2 -85.5 -81.3 179.1 18.6 44.4 29.1 76 89 A E T 4 S+ 0 0 137 2,-0.2 4,-0.4 1,-0.2 3,-0.2 0.943 135.7 43.6 -47.5 -51.8 17.7 47.9 30.3 77 90 A V T >4 S+ 0 0 24 -15,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.914 112.6 51.4 -65.0 -45.2 20.3 49.2 27.8 78 91 A G G >4 S+ 0 0 0 -16,-0.5 3,-1.8 1,-0.2 -1,-0.2 0.793 97.2 67.9 -61.3 -28.3 19.1 46.8 25.0 79 92 A E G >< S+ 0 0 93 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.669 83.4 75.7 -67.0 -16.4 15.5 47.9 25.5 80 93 A L G < S+ 0 0 1 -3,-1.3 10,-0.5 -4,-0.4 9,-0.4 0.549 83.8 64.8 -74.0 -8.2 16.5 51.3 24.1 81 94 A L G < S+ 0 0 5 -3,-1.8 -1,-0.3 8,-0.2 -53,-0.3 0.395 71.2 122.6 -91.6 0.6 16.6 49.8 20.6 82 95 A A X - 0 0 5 -3,-1.6 3,-2.2 1,-0.2 8,-0.3 -0.489 69.1-132.1 -59.7 125.7 12.8 49.2 20.8 83 96 A D T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -2,-0.2 8,-0.1 0.755 104.1 55.6 -55.5 -30.5 11.5 51.0 17.8 84 97 A D T 3 S+ 0 0 144 3,-0.0 -1,-0.3 4,-0.0 -2,-0.1 0.411 79.0 119.0 -83.6 2.2 8.8 52.8 19.9 85 98 A H X - 0 0 28 -3,-2.2 3,-1.4 1,-0.1 5,-0.1 -0.469 69.7-129.2 -70.0 141.9 11.4 54.2 22.3 86 99 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.724 104.6 58.8 -69.2 -24.8 11.2 58.1 22.3 87 100 A A T 3 S- 0 0 1 238,-0.1 5,-0.1 -7,-0.1 61,-0.1 0.511 93.3-147.1 -79.0 -8.0 15.0 58.6 21.7 88 101 A A X> + 0 0 20 -3,-1.4 4,-2.0 -6,-0.2 3,-0.5 0.744 40.9 154.7 50.1 33.1 14.7 56.6 18.5 89 102 A Q H 3> + 0 0 11 -9,-0.4 4,-1.0 1,-0.2 -8,-0.2 0.793 66.5 63.0 -62.9 -26.5 18.2 55.1 18.9 90 103 A R H >4 S+ 0 0 4 -10,-0.5 3,-0.6 -8,-0.3 -1,-0.2 0.941 106.5 44.0 -62.5 -44.0 17.2 52.1 16.9 91 104 A A H X4 S+ 0 0 13 -3,-0.5 3,-1.7 1,-0.2 9,-0.3 0.933 109.1 56.0 -64.4 -48.8 16.7 54.4 13.9 92 105 A W H 3< S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.661 113.0 43.0 -57.7 -18.9 19.9 56.4 14.5 93 106 A H T << S+ 0 0 8 -4,-1.0 2,-0.5 -3,-0.6 -70,-0.4 0.283 84.4 115.9-111.4 7.7 21.9 53.1 14.3 94 107 A D X - 0 0 5 -3,-1.7 3,-1.1 -4,-0.2 6,-0.5 -0.695 58.0-149.2 -83.3 121.5 20.1 51.5 11.3 95 108 A L T 3 S+ 0 0 29 -2,-0.5 -1,-0.1 -76,-0.5 9,-0.1 0.655 95.4 57.6 -71.1 -13.7 22.5 51.1 8.4 96 109 A T T 3 S+ 0 0 94 -5,-0.1 -1,-0.3 4,-0.0 2,-0.1 0.733 94.6 76.0 -83.5 -30.3 19.7 51.6 5.9 97 110 A Q S <> S- 0 0 45 -3,-1.1 4,-1.6 -6,-0.2 3,-0.2 -0.493 96.3 -99.7 -88.1 166.9 18.6 55.0 7.2 98 111 A A H > S+ 0 0 2 1,-0.2 4,-1.7 40,-0.2 5,-0.1 0.703 109.1 48.5 -66.7 -35.9 20.6 58.2 6.5 99 112 A V H > S+ 0 0 8 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.921 113.8 42.5 -75.2 -46.0 22.8 58.8 9.6 100 113 A A H > S+ 0 0 1 -6,-0.5 4,-0.5 -9,-0.3 -2,-0.2 0.848 113.3 57.0 -69.7 -30.1 24.3 55.4 10.2 101 114 A R H >< S+ 0 0 30 -4,-1.6 3,-1.1 -7,-0.4 4,-0.2 0.928 106.8 47.9 -60.9 -45.9 24.8 55.2 6.4 102 115 A A H >< S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.2 -1,-0.2 0.797 95.9 72.9 -68.2 -28.6 26.8 58.4 6.6 103 116 A D H >< S+ 0 0 1 -4,-1.5 3,-2.1 1,-0.3 4,-0.3 0.707 77.3 77.7 -61.5 -20.3 28.9 57.1 9.5 104 117 A I G X< S+ 0 0 32 -3,-1.1 3,-2.6 -4,-0.5 4,-0.3 0.837 77.4 76.6 -57.2 -27.6 30.6 54.8 7.1 105 118 A S G X S+ 0 0 0 -3,-2.4 3,-1.3 1,-0.3 -1,-0.3 0.743 80.4 68.4 -49.2 -27.6 32.5 58.1 6.2 106 119 A F G X S+ 0 0 0 -3,-2.1 3,-2.0 1,-0.2 -1,-0.3 0.746 79.8 76.3 -68.3 -19.2 34.5 57.5 9.4 107 120 A T G < S+ 0 0 17 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.743 102.0 41.7 -63.6 -21.3 36.1 54.5 7.7 108 121 A R G X> S+ 0 0 103 -3,-1.3 4,-1.2 -4,-0.3 3,-1.1 -0.093 74.0 129.4-110.6 33.7 38.1 57.1 5.8 109 122 A L H <> + 0 0 0 -3,-2.0 4,-1.7 1,-0.2 3,-0.3 0.906 66.3 65.0 -53.4 -44.7 38.8 59.4 8.7 110 123 A P H 3> S+ 0 0 30 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.851 101.2 51.3 -47.3 -38.1 42.6 59.5 7.9 111 124 A D H <> S+ 0 0 68 -3,-1.1 4,-2.5 1,-0.2 6,-0.3 0.925 107.5 51.8 -64.2 -44.4 41.8 61.2 4.6 112 125 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.753 110.6 47.3 -67.1 -26.3 39.7 63.9 6.3 113 126 A I H < S+ 0 0 0 -4,-1.7 284,-1.8 2,-0.2 288,-0.3 0.781 113.7 49.8 -82.1 -32.2 42.6 64.7 8.8 114 127 A R H < S+ 0 0 128 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.1 0.916 129.3 18.6 -65.9 -45.3 45.0 64.8 5.9 115 128 A T H < S- 0 0 47 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.616 87.5-131.6-105.0 -19.2 42.9 67.1 3.8 116 129 A G S < S+ 0 0 14 -4,-1.5 -4,-0.1 -5,-0.3 -3,-0.1 0.609 71.8 119.3 65.4 15.4 40.4 68.8 6.1 117 130 A R S S- 0 0 140 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.2 -0.843 71.1 -91.7-117.8 148.6 37.7 67.8 3.5 118 131 A P - 0 0 40 0, 0.0 4,-0.2 0, 0.0 174,-0.2 -0.089 20.9-156.2 -65.3 155.8 34.7 65.5 3.8 119 132 A T S > S+ 0 0 3 173,-2.0 4,-0.8 2,-0.1 3,-0.3 0.587 71.9 89.3-104.9 -18.4 34.8 61.8 3.1 120 133 A Y H >> S+ 0 0 2 172,-1.4 4,-2.3 1,-0.2 3,-0.8 0.844 85.9 49.8 -58.4 -45.2 31.2 61.2 2.3 121 134 A E H 3> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 102.5 60.8 -66.3 -38.3 31.3 61.9 -1.5 122 135 A S H 34 S+ 0 0 72 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.732 115.8 35.9 -61.6 -23.0 34.3 59.7 -2.1 123 136 A I H << S+ 0 0 44 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.812 129.3 27.4 -95.1 -41.1 32.2 56.8 -0.8 124 137 A Y H < S- 0 0 59 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.491 101.0-116.0-110.4 -6.1 28.6 57.5 -2.1 125 138 A G S < S+ 0 0 55 -4,-2.4 -4,-0.2 -5,-0.3 -3,-0.1 0.222 86.2 57.3 97.3 -14.9 29.4 59.6 -5.2 126 139 A K S S- 0 0 104 -6,-0.2 -2,-0.2 2,-0.0 -3,-0.1 -0.978 90.1 -92.7-140.5 154.7 27.8 62.9 -4.2 127 140 A P >> - 0 0 44 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.334 57.4 -91.5 -64.2 158.7 28.2 65.5 -1.4 128 141 A F H 3> S+ 0 0 8 165,-0.6 4,-1.7 1,-0.3 5,-0.1 0.751 119.6 36.4 -49.5 -51.2 25.8 64.9 1.5 129 142 A Y H 3> S+ 0 0 22 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.757 114.4 55.1 -83.9 -24.9 22.7 67.0 0.6 130 143 A E H <> S+ 0 0 121 -3,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.886 106.0 54.4 -67.9 -39.2 22.9 66.3 -3.2 131 144 A D H >< S+ 0 0 12 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.958 109.2 47.2 -54.6 -52.8 22.8 62.6 -2.3 132 145 A L H >< S+ 0 0 2 -4,-1.7 3,-1.0 1,-0.2 7,-0.4 0.805 104.7 62.2 -59.9 -29.9 19.6 63.2 -0.4 133 146 A A H 3< S+ 0 0 81 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.0 39.7 -65.8 -31.7 18.2 65.2 -3.3 134 147 A G T << S+ 0 0 51 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.140 112.0 58.3-106.1 16.2 18.4 62.1 -5.5 135 148 A R X> - 0 0 90 -3,-1.0 4,-2.3 -4,-0.1 3,-1.1 -0.662 55.1-175.9-141.2 85.3 17.2 59.6 -3.0 136 149 A P H 3> S+ 0 0 104 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.835 85.9 70.4 -46.1 -35.5 13.8 60.4 -1.6 137 150 A D H 3> S+ 0 0 99 2,-0.2 4,-1.2 1,-0.2 -39,-0.1 0.931 107.7 27.1 -33.0 -67.4 14.6 57.4 0.5 138 151 A L H <> S+ 0 0 2 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.698 112.7 67.1 -89.0 -26.1 17.3 59.0 2.6 139 152 A R H X S+ 0 0 12 -4,-2.3 4,-2.3 -7,-0.4 -1,-0.2 0.973 108.7 39.7 -48.7 -56.7 15.9 62.5 2.3 140 153 A A H X S+ 0 0 49 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.805 114.6 51.5 -68.4 -35.3 12.9 61.3 4.3 141 154 A S H X S+ 0 0 15 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.888 111.8 47.6 -72.3 -39.0 14.8 59.1 6.8 142 155 A F H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.933 111.2 49.4 -62.7 -51.1 17.2 62.0 7.6 143 156 A D H X S+ 0 0 7 -4,-2.3 4,-1.3 -5,-0.2 33,-0.2 0.891 113.1 48.5 -55.6 -38.8 14.4 64.5 8.1 144 157 A S H < S+ 0 0 55 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.800 109.7 51.7 -75.7 -32.8 12.6 62.0 10.4 145 158 A L H >< S+ 0 0 4 -4,-1.7 3,-1.7 2,-0.2 -2,-0.2 0.957 112.7 43.4 -64.5 -52.6 15.7 61.3 12.5 146 159 A L H 3< S+ 0 0 48 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.774 120.4 43.1 -67.5 -26.1 16.5 64.9 13.2 147 160 A A T >< S+ 0 0 8 -4,-1.3 3,-0.7 -5,-0.3 -1,-0.3 0.013 79.3 109.6-105.8 26.2 12.9 65.7 13.9 148 161 A C T < S+ 0 0 48 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.671 90.2 38.1 -69.7 -17.5 12.4 62.5 16.0 149 162 A D T >> S+ 0 0 26 -3,-0.3 3,-2.4 -4,-0.2 4,-2.0 0.267 81.9 128.3-117.0 -5.4 12.2 64.8 19.0 150 163 A Q T <4 + 0 0 21 -3,-0.7 4,-0.4 1,-0.3 -2,-0.1 0.574 62.4 60.9 -27.2 -44.9 10.2 67.6 17.2 151 164 A D T 34 S+ 0 0 90 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.710 127.0 9.6 -71.8 -21.4 7.3 68.0 19.7 152 165 A V T X> S+ 0 0 63 -3,-2.4 3,-1.2 2,-0.1 4,-0.6 0.523 101.2 89.6-132.1 -14.8 9.7 68.9 22.6 153 166 A A T 3< S+ 0 0 19 -4,-2.0 -3,-0.1 1,-0.3 -2,-0.1 0.734 99.6 38.5 -62.7 -25.3 13.2 69.6 21.3 154 167 A F T 3> S+ 0 0 11 -4,-0.4 4,-1.7 -5,-0.2 -1,-0.3 0.371 89.9 90.7-106.6 -0.3 12.5 73.2 20.6 155 168 A D H <> S+ 0 0 47 -3,-1.2 4,-1.5 1,-0.2 -2,-0.1 0.928 88.7 48.7 -63.8 -47.9 10.3 74.1 23.7 156 169 A A H X S+ 0 0 14 -4,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.909 110.7 46.5 -61.0 -53.3 13.3 75.1 25.9 157 170 A P H 4 S+ 0 0 2 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.887 113.3 50.9 -59.4 -38.2 15.0 77.5 23.4 158 171 A A H >< S+ 0 0 1 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.808 108.9 52.3 -65.4 -30.9 11.7 79.2 22.6 159 172 A A H 3< S+ 0 0 31 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.754 104.3 57.5 -74.8 -24.6 11.0 79.6 26.4 160 173 A A T 3< S+ 0 0 14 -4,-1.2 2,-0.3 -3,-0.3 -1,-0.2 0.363 98.6 70.4 -90.0 0.7 14.4 81.3 26.8 161 174 A Y S < S- 0 0 38 -3,-0.7 2,-0.6 -4,-0.2 0, 0.0 -0.934 80.0-124.9-120.7 148.1 13.8 84.0 24.3 162 175 A D - 0 0 110 -2,-0.3 3,-0.3 1,-0.1 -3,-0.1 -0.831 23.9-179.5 -94.0 116.3 11.4 87.0 24.6 163 176 A W > + 0 0 12 -2,-0.6 3,-1.5 1,-0.2 -1,-0.1 0.215 48.2 110.1 -98.8 10.9 8.9 87.1 21.6 164 177 A T T 3 S+ 0 0 92 1,-0.3 -1,-0.2 26,-0.0 -2,-0.0 0.863 85.7 34.1 -63.7 -40.9 7.0 90.3 22.7 165 178 A N T 3 S+ 0 0 141 -3,-0.3 2,-0.6 68,-0.1 -1,-0.3 0.158 96.0 106.0-101.3 16.7 8.3 92.6 19.9 166 179 A V < + 0 0 7 -3,-1.5 3,-0.1 1,-0.2 23,-0.1 -0.872 32.6 164.7 -99.0 120.9 8.5 89.8 17.3 167 180 A R S S+ 0 0 198 -2,-0.6 24,-1.9 1,-0.3 2,-0.3 0.770 70.5 23.4-100.7 -40.3 5.8 89.9 14.6 168 181 A H E -b 191 0B 8 22,-0.2 65,-1.5 2,-0.0 66,-1.2 -0.997 63.6-160.6-133.3 139.7 7.4 87.5 12.1 169 182 A V E -bc 192 234B 0 22,-2.0 24,-2.5 -2,-0.3 2,-0.5 -0.953 4.7-157.1-118.0 132.9 9.9 84.7 12.4 170 183 A L E -bc 193 235B 0 64,-2.1 66,-2.8 -2,-0.4 2,-0.8 -0.947 4.9-160.7-106.8 121.2 12.0 83.2 9.5 171 184 A D E > -bc 194 236B 0 22,-3.4 24,-2.2 -2,-0.5 3,-1.3 -0.840 11.7-154.8-106.8 99.1 13.3 79.6 10.2 172 185 A V E 3 S-b 195 0B 0 64,-1.8 66,-0.3 -2,-0.8 24,-0.1 -0.597 79.9 -5.8 -82.5 111.9 16.2 79.1 7.8 173 186 A G T 3 S+ 0 0 1 22,-2.4 -1,-0.3 -2,-0.6 23,-0.2 0.858 88.0 168.4 69.8 40.3 16.7 75.4 7.0 174 187 A G X - 0 0 2 -3,-1.3 3,-1.6 21,-0.9 5,-0.5 0.212 27.5-144.2 -80.3 14.4 14.0 74.7 9.6 175 188 A G T 3 S- 0 0 5 1,-0.3 -1,-0.2 20,-0.2 29,-0.2 -0.362 71.3 -11.8 69.8-139.2 13.4 71.1 8.9 176 189 A K T 3 S- 0 0 37 -33,-0.2 -1,-0.3 27,-0.1 32,-0.2 0.285 106.0 -98.0 -79.6 6.4 9.9 69.7 9.3 177 190 A G S <> S+ 0 0 0 -3,-1.6 4,-2.5 30,-0.1 5,-0.2 0.501 80.1 136.7 95.4 8.5 8.9 73.1 11.0 178 191 A G H > S+ 0 0 1 -4,-0.3 4,-1.5 1,-0.2 -24,-0.1 0.769 72.6 48.5 -62.9 -31.7 9.2 72.0 14.7 179 192 A F H > S+ 0 0 1 -5,-0.5 4,-2.1 2,-0.2 5,-0.3 0.931 111.6 50.1 -75.0 -45.6 11.0 75.1 15.9 180 193 A A H > S+ 0 0 1 -6,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.934 111.5 51.3 -53.6 -43.3 8.5 77.4 14.1 181 194 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.845 108.6 49.2 -63.6 -36.0 5.7 75.3 15.8 182 195 A A H X S+ 0 0 4 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.860 111.0 48.9 -75.0 -36.9 7.2 75.7 19.3 183 196 A I H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.863 110.4 55.5 -65.2 -36.8 7.6 79.4 19.0 184 197 A A H < S+ 0 0 3 -4,-1.9 6,-0.2 -5,-0.3 -2,-0.2 0.917 109.7 40.3 -67.6 -46.9 4.0 79.6 17.7 185 198 A R H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.710 116.8 53.2 -83.0 -11.0 2.2 77.9 20.6 186 199 A R H < S+ 0 0 108 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 122.0 27.7 -79.3 -32.8 4.5 79.8 23.0 187 200 A A >< - 0 0 5 -4,-1.6 3,-1.4 -3,-0.1 -1,-0.2 -0.846 67.9-170.2-138.6 93.7 3.7 83.2 21.4 188 201 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.628 81.3 61.3 -66.4 -17.1 0.2 83.4 19.8 189 202 A H T 3 S+ 0 0 102 -23,-0.1 2,-0.2 -26,-0.1 -5,-0.1 0.515 88.7 97.5 -85.2 -5.0 0.7 86.9 18.1 190 203 A V < - 0 0 2 -3,-1.4 2,-0.3 -6,-0.2 -22,-0.2 -0.585 52.1-166.5 -94.1 140.1 3.6 85.6 16.0 191 204 A S E -b 168 0B 51 -24,-1.9 -22,-2.0 -2,-0.2 2,-0.3 -0.828 15.3-161.0-115.6 163.0 3.5 84.3 12.4 192 205 A A E -bd 169 217B 4 24,-2.4 26,-2.3 -2,-0.3 2,-0.4 -0.968 19.1-151.5-147.6 159.9 6.4 82.4 10.7 193 206 A T E -bd 170 218B 8 -24,-2.5 -22,-3.4 -2,-0.3 2,-0.5 -1.000 12.8-155.7-132.4 130.9 8.0 81.2 7.5 194 207 A V E -bd 171 219B 0 24,-2.3 26,-3.0 -2,-0.4 2,-0.5 -0.921 5.0-159.8-106.7 129.3 10.1 78.0 7.1 195 208 A L E +bd 172 220B 6 -24,-2.2 -22,-2.4 -2,-0.5 -21,-0.9 -0.969 29.9 143.8-108.2 123.5 12.7 77.9 4.3 196 209 A E E - d 0 221B 4 24,-1.8 26,-1.6 -2,-0.5 3,-0.1 -0.909 44.4 -91.0-149.6 173.8 13.8 74.3 3.3 197 210 A M > - 0 0 41 -2,-0.3 4,-1.6 24,-0.2 26,-0.1 -0.292 57.3 -70.1 -85.3 173.1 14.8 72.1 0.4 198 211 A A T 4 S+ 0 0 52 1,-0.2 2,-1.3 2,-0.2 -1,-0.2 -0.288 119.7 22.5 -64.7 149.9 12.7 69.9 -1.8 199 212 A G T >> S+ 0 0 33 1,-0.1 4,-1.4 -3,-0.1 3,-0.8 -0.575 118.3 63.7 86.4 -65.6 11.2 66.9 -0.2 200 213 A T H 3> S+ 0 0 0 -2,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.786 94.7 60.2 -63.6 -29.7 11.6 68.4 3.3 201 214 A V H 3X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.866 103.5 49.1 -66.8 -37.7 9.1 71.2 2.5 202 215 A D H <> S+ 0 0 99 -3,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.904 113.4 46.9 -70.4 -38.4 6.2 68.8 1.7 203 216 A T H X S+ 0 0 46 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.820 111.8 50.9 -69.6 -37.5 6.8 67.0 4.9 204 217 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.892 108.9 52.4 -65.0 -43.6 7.0 70.3 6.9 205 218 A R H X S+ 0 0 97 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.867 110.6 46.8 -59.8 -40.9 3.7 71.5 5.4 206 219 A S H X S+ 0 0 58 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.852 112.2 49.7 -75.0 -34.0 1.9 68.3 6.5 207 220 A Y H X S+ 0 0 26 -4,-1.6 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24.8 57.3 27.1 355 18 B T H X S+ 0 0 62 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.921 112.0 41.8 -71.3 -44.2 26.0 53.7 27.5 356 19 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 115.0 49.2 -66.1 -50.4 24.1 52.7 24.3 357 20 B I H < S+ 0 0 27 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.860 112.7 49.3 -58.9 -37.0 25.2 55.8 22.4 358 21 B R H >< S+ 0 0 150 -4,-1.5 3,-1.1 -5,-0.2 -1,-0.2 0.945 111.9 47.4 -68.1 -46.1 28.8 55.2 23.5 359 22 B L H 3< S+ 0 0 45 -4,-2.3 -341,-0.2 1,-0.2 -2,-0.2 0.798 112.5 50.1 -66.0 -28.8 28.8 51.5 22.5 360 23 B G T 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 2,-0.2 0.510 84.4 117.1 -88.5 -2.8 27.2 52.2 19.1 361 24 B S < - 0 0 8 -3,-1.1 -345,-0.1 -4,-0.4 -343,-0.0 -0.442 37.9-178.0 -80.8 130.2 29.7 54.9 18.1 362 25 B L S > S+ 0 0 3 -2,-0.2 4,-1.6 2,-0.1 5,-0.2 0.807 76.2 68.3 -94.3 -31.4 31.9 54.4 15.1 363 26 B H H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 94.6 58.6 -56.7 -38.3 33.9 57.7 15.3 364 27 B T H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 107.5 41.3 -62.3 -57.1 35.7 56.6 18.5 365 28 B P H > S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.829 115.9 53.6 -59.6 -29.4 37.3 53.4 17.3 366 29 B M H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.873 105.8 51.9 -72.9 -34.8 38.2 55.2 14.0 367 30 B V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.915 111.8 47.3 -64.8 -42.8 39.9 58.1 16.0 368 31 B V H X S+ 0 0 0 -4,-2.0 4,-1.9 -359,-0.2 -2,-0.2 0.924 113.2 49.3 -60.8 -44.7 42.0 55.5 17.9 369 32 B R H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 76,-0.6 0.828 110.5 48.0 -70.5 -32.1 42.8 53.8 14.6 370 33 B T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.867 108.1 56.3 -79.7 -30.1 43.8 57.0 12.8 371 34 B A H <>S+ 0 0 3 -4,-2.1 5,-2.5 -5,-0.2 6,-0.3 0.919 110.7 44.9 -57.0 -44.8 46.0 57.9 15.7 372 35 B A H ><5S+ 0 0 0 -4,-1.9 3,-0.7 71,-0.2 -2,-0.2 0.885 113.3 49.0 -65.3 -42.2 47.8 54.6 15.4 373 36 B T H 3<5S+ 0 0 29 -4,-1.9 -2,-0.2 70,-0.3 -1,-0.2 0.894 111.0 49.8 -67.5 -40.5 48.2 54.9 11.6 374 37 B L T 3<5S- 0 0 24 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.498 106.0-133.1 -74.3 -6.3 49.5 58.4 11.9 375 38 B R T <>5 + 0 0 95 -3,-0.7 4,-1.7 -4,-0.2 3,-0.4 0.887 46.4 164.3 56.9 41.2 51.9 57.0 14.5 376 39 B L H >< + 0 0 1 -5,-2.5 4,-1.5 1,-0.3 -4,-0.1 0.888 64.9 49.7 -64.7 -44.1 50.9 60.0 16.5 377 40 B V H > S+ 0 0 6 -6,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.771 109.6 52.0 -70.1 -29.2 52.2 58.9 19.8 378 41 B D H > S+ 0 0 40 -3,-0.4 4,-0.8 53,-0.3 -1,-0.2 0.827 108.2 52.0 -74.3 -31.1 55.6 58.0 18.4 379 42 B H H <>S+ 0 0 44 -4,-1.7 5,-1.4 2,-0.2 -2,-0.2 0.826 111.7 47.6 -71.8 -29.6 55.8 61.5 16.9 380 43 B I H ><5S+ 0 0 14 -4,-1.5 3,-1.9 1,-0.2 4,-0.4 0.960 111.3 47.7 -73.5 -51.3 55.0 62.9 20.3 381 44 B L H 3<5S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.646 106.0 62.3 -65.1 -14.6 57.6 60.8 22.2 382 45 B A T 3<5S- 0 0 67 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.209 131.1 -80.1 -99.6 16.4 60.2 61.8 19.5 383 46 B G T < 5S+ 0 0 53 -3,-1.9 2,-0.7 1,-0.3 -3,-0.2 0.590 79.7 140.1 107.4 15.9 60.0 65.5 20.4 384 47 B A < + 0 0 4 -5,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 -0.834 14.8 164.3 -95.8 118.4 57.0 67.0 18.6 385 48 B R + 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4,-1.8 -6,-0.2 5,-0.3 -0.609 96.5 -97.0-108.7 168.2 48.5 47.0 7.9 448 111 B A H > S+ 0 0 1 40,-0.3 4,-1.6 39,-0.2 44,-0.1 0.763 108.4 43.7 -63.4 -40.5 46.5 43.8 7.3 449 112 B V H > S+ 0 0 7 2,-0.2 4,-1.1 -8,-0.2 -1,-0.2 0.922 116.0 41.5 -79.4 -45.9 44.3 43.3 10.3 450 113 B A H > S+ 0 0 0 -6,-0.5 4,-0.6 -9,-0.3 3,-0.4 0.905 115.9 52.0 -68.2 -41.5 42.8 46.8 11.0 451 114 B R H >< S+ 0 0 32 -4,-1.8 3,-1.1 -7,-0.6 4,-0.3 0.918 108.0 53.5 -54.1 -43.6 42.4 47.3 7.2 452 115 B A H >< S+ 0 0 0 -4,-1.6 3,-1.7 -5,-0.3 -1,-0.2 0.788 95.3 70.0 -62.7 -27.6 40.6 43.9 7.4 453 116 B D H >< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.4 4,-0.3 0.726 74.8 79.2 -67.0 -22.8 38.2 45.3 10.1 454 117 B I G X< S+ 0 0 17 -3,-1.1 3,-2.4 -4,-0.6 -1,-0.3 0.831 78.7 77.0 -51.9 -28.1 36.5 47.6 7.7 455 118 B S G X S+ 0 0 0 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.765 78.4 69.3 -52.1 -33.0 34.7 44.3 6.8 456 119 B F G X S+ 0 0 0 -3,-2.3 3,-2.0 1,-0.2 -1,-0.3 0.773 78.3 79.5 -57.4 -26.7 32.7 44.7 9.9 457 120 B T G < S+ 0 0 15 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.606 101.3 39.4 -54.5 -15.0 30.9 47.7 8.2 458 121 B R G X> S+ 0 0 107 -3,-1.6 3,-1.1 -4,-0.2 4,-1.0 -0.099 74.0 133.8-124.8 34.4 28.8 45.1 6.4 459 122 B L H <> + 0 0 0 -3,-2.0 4,-2.0 1,-0.3 3,-0.3 0.798 62.8 67.2 -60.2 -31.3 28.3 42.7 9.2 460 123 B P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.880 98.0 53.0 -58.5 -39.2 24.6 42.3 8.4 461 124 B D H <> S+ 0 0 70 -3,-1.1 4,-2.0 1,-0.2 6,-0.4 0.883 108.0 51.2 -58.9 -39.9 25.4 40.5 5.2 462 125 B A H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.874 110.5 47.9 -68.8 -36.0 27.6 38.1 7.0 463 126 B I H < S+ 0 0 0 -4,-2.0 -416,-2.0 1,-0.2 -412,-0.2 0.858 115.4 46.1 -72.3 -34.1 24.8 37.4 9.5 464 127 B R H < S+ 0 0 91 -4,-2.3 -2,-0.2 -418,-0.2 -1,-0.2 0.816 130.0 20.8 -70.6 -33.4 22.3 36.9 6.6 465 128 B T H < S- 0 0 55 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.570 87.9-130.0-117.8 -16.7 24.5 34.7 4.5 466 129 B G S < S+ 0 0 28 -4,-2.4 -4,-0.2 -5,-0.3 -3,-0.1 0.507 72.0 119.6 72.2 9.4 27.2 33.2 6.8 467 130 B R - 0 0 173 -6,-0.4 -1,-0.2 1,-0.1 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0.329 75.8 129.1 -84.2 3.8 54.5 36.2 14.8 498 161 B C T < S+ 0 0 51 -3,-0.9 -1,-0.2 1,-0.3 3,-0.2 0.748 87.2 9.9 -5.3 -78.9 54.5 38.9 17.5 499 162 B D T >> S+ 0 0 91 -3,-0.4 3,-3.0 1,-0.2 4,-2.5 -0.077 84.4 139.4-109.9 30.0 56.0 36.9 20.4 500 163 B Q T <4 + 0 0 13 -3,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.678 63.9 67.7 -59.3 -16.6 56.9 33.9 18.3 501 164 B D T 34 S+ 0 0 88 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.804 124.2 10.4 -62.9 -26.5 60.2 33.6 20.2 502 165 B V T X4 S+ 0 0 98 -3,-3.0 3,-1.6 2,-0.1 4,-0.4 0.638 109.1 78.7-126.1 -30.8 58.1 32.6 23.3 503 166 B A T 3< S+ 0 0 53 -4,-2.5 3,-0.2 1,-0.3 -3,-0.1 0.655 97.2 48.2 -72.0 -16.2 54.4 31.9 22.4 504 167 B F T 3> S+ 0 0 16 -4,-0.4 4,-2.0 -5,-0.2 -1,-0.3 0.380 84.3 92.5-101.7 -0.3 55.0 28.4 21.0 505 168 B D H <> S+ 0 0 74 -3,-1.6 4,-1.1 1,-0.2 -2,-0.1 0.872 87.5 47.3 -65.4 -38.5 57.1 27.2 24.0 506 169 B A H > S+ 0 0 53 -4,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.922 112.1 46.8 -69.5 -51.3 54.1 25.8 25.8 507 170 B P H 4 S+ 0 0 4 0, 0.0 3,-0.3 0, 0.0 -2,-0.2 0.828 109.5 55.8 -59.9 -33.3 52.6 23.9 22.8 508 171 B A H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.857 109.1 47.4 -67.0 -32.9 56.0 22.5 22.0 509 172 B A H 3< S+ 0 0 50 -4,-1.1 -1,-0.2 1,-0.2 -3,-0.1 0.618 94.6 77.2 -82.1 -12.3 56.1 21.1 25.5 510 173 B A T 3< S+ 0 0 15 -4,-0.8 2,-0.3 -3,-0.3 -1,-0.2 0.219 93.7 56.2 -83.0 15.6 52.6 19.7 25.3 511 174 B Y S < S- 0 0 37 -3,-0.6 2,-0.6 106,-0.0 106,-0.0 -0.990 80.7-126.3-146.8 138.4 53.8 16.7 23.2 512 175 B D - 0 0 109 -2,-0.3 3,-0.3 1,-0.1 -3,-0.1 -0.761 20.4-168.6 -82.1 119.6 56.4 14.1 23.7 513 176 B W > + 0 0 12 -2,-0.6 3,-1.5 1,-0.2 -1,-0.1 0.286 54.2 108.2 -94.9 11.3 58.8 14.2 20.7 514 177 B T T 3 S+ 0 0 89 1,-0.3 -1,-0.2 26,-0.0 -2,-0.0 0.906 84.8 35.1 -56.1 -55.3 60.6 10.9 21.5 515 178 B N T 3 S+ 0 0 148 -3,-0.3 2,-0.6 68,-0.0 -1,-0.3 -0.019 97.8 107.3 -90.9 30.4 59.2 8.7 18.7 516 179 B V < + 0 0 7 -3,-1.5 3,-0.1 1,-0.2 23,-0.0 -0.943 32.9 166.3-117.2 114.1 59.0 11.6 16.2 517 180 B R S S+ 0 0 155 -2,-0.6 24,-2.2 1,-0.3 2,-0.4 0.914 71.8 21.0 -84.7 -58.2 61.4 11.8 13.3 518 181 B H E -i 541 0D 7 22,-0.2 65,-1.6 24,-0.0 66,-1.5 -0.925 60.8-163.8-120.3 138.8 59.8 14.5 11.2 519 182 B V E -ij 542 584D 1 22,-1.9 24,-2.1 -2,-0.4 2,-0.5 -0.970 5.5-160.8-116.1 132.8 57.3 17.2 12.0 520 183 B L E -ij 543 585D 0 64,-2.3 66,-2.5 -2,-0.4 2,-0.8 -0.971 5.1-157.5-110.6 120.0 55.3 19.0 9.2 521 184 B D E > -ij 544 586D 1 22,-2.5 24,-2.4 -2,-0.5 3,-1.1 -0.858 12.0-149.8-101.0 105.9 53.8 22.4 10.3 522 185 B V E 3 S-i 545 0D 0 64,-2.3 66,-0.5 -2,-0.8 24,-0.1 -0.635 81.7 -5.5 -81.9 115.6 51.0 23.1 7.9 523 186 B G T 3 S+ 0 0 0 22,-1.6 -1,-0.3 -2,-0.6 23,-0.2 0.916 86.8 171.5 65.4 47.8 50.6 26.8 7.5 524 187 B G X - 0 0 1 21,-1.1 3,-1.6 -3,-1.1 5,-0.5 0.043 27.4-139.0 -87.6 24.3 53.2 27.4 10.2 525 188 B G T 3 S- 0 0 7 1,-0.3 -1,-0.2 20,-0.2 29,-0.2 -0.293 72.5 -16.0 65.4-138.3 53.8 31.2 9.9 526 189 B K T 3 S- 0 0 36 -33,-0.2 -1,-0.3 27,-0.1 32,-0.1 0.147 105.0 -93.0 -86.7 16.3 57.4 32.4 10.1 527 190 B G S <> S+ 0 0 0 -3,-1.6 4,-1.7 30,-0.1 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