==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 02-SEP-07 2Z85 . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,W.E.ROYER JR.,K.NIENHAUS,P.PALLADINO,G.U.NIENHAUS . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 85.9 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 0 0 0 1 1 0 0 0 2 3 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S > 0 0 87 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 158.6 13.8 -11.7 24.2 2 3 A V H > + 0 0 11 141,-0.3 4,-2.0 1,-0.2 5,-0.1 0.829 360.0 56.3 -64.0 -31.2 11.8 -8.4 24.5 3 4 A Y H > S+ 0 0 139 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.871 109.4 45.2 -69.3 -35.6 8.8 -10.3 25.8 4 5 A D H 4 S+ 0 0 102 -3,-0.2 4,-0.4 2,-0.2 3,-0.3 0.882 111.7 52.1 -74.0 -38.8 10.9 -11.8 28.6 5 6 A A H >< S+ 0 0 16 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.873 105.7 55.0 -64.8 -37.6 12.5 -8.5 29.4 6 7 A A H >< S+ 0 0 11 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.804 99.1 61.9 -66.2 -28.6 9.1 -6.8 29.7 7 8 A A T 3< S+ 0 0 77 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.628 89.4 71.0 -72.2 -12.5 8.0 -9.4 32.2 8 9 A Q T < S+ 0 0 100 -3,-1.3 2,-1.8 -4,-0.4 -1,-0.3 0.539 70.8 98.1 -80.3 -7.7 10.8 -8.2 34.5 9 10 A L < - 0 0 17 -3,-1.4 -1,-0.1 -4,-0.2 -3,-0.0 -0.597 64.1-174.3 -83.8 81.4 8.8 -5.0 35.1 10 11 A T > - 0 0 76 -2,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.095 39.2 -90.5 -70.6 172.8 7.3 -6.0 38.4 11 12 A A H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.897 125.6 42.6 -52.2 -51.4 4.7 -4.1 40.4 12 13 A D H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.815 111.8 55.3 -70.1 -29.2 7.1 -2.1 42.5 13 14 A V H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.935 109.8 46.6 -67.3 -44.9 9.4 -1.4 39.5 14 15 A K H X S+ 0 0 60 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 112.7 50.6 -61.8 -43.5 6.4 0.1 37.6 15 16 A K H X S+ 0 0 109 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.917 110.2 48.6 -61.3 -44.8 5.4 2.1 40.7 16 17 A D H X S+ 0 0 23 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.849 109.4 53.6 -65.9 -32.1 8.9 3.5 41.1 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.936 111.7 45.0 -66.5 -45.2 9.0 4.4 37.4 18 19 A R H X S+ 0 0 77 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.922 111.5 51.6 -64.4 -46.4 5.8 6.4 37.7 19 20 A D H X S+ 0 0 46 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.890 115.6 40.9 -60.3 -41.2 6.7 8.2 40.9 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 3,-0.7 0.864 111.9 55.4 -76.4 -34.7 10.0 9.4 39.5 21 22 A W H 3X S+ 0 0 15 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.822 95.2 67.9 -66.4 -29.7 8.6 10.2 36.1 22 23 A K H 3< S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.0 30.3 -56.5 -35.9 6.0 12.4 37.7 23 24 A V H X< S+ 0 0 56 -3,-0.7 3,-1.2 -4,-0.6 4,-0.4 0.919 123.4 45.0 -87.9 -52.2 8.9 14.7 38.7 24 25 A I H >< S+ 0 0 12 -4,-2.8 3,-1.1 1,-0.3 7,-0.2 0.889 112.7 51.3 -60.9 -41.7 11.3 14.1 35.8 25 26 A G T 3< S+ 0 0 8 -4,-2.7 3,-0.5 1,-0.2 -1,-0.3 0.496 90.3 81.3 -76.2 -1.9 8.7 14.4 33.1 26 27 A S T < S+ 0 0 92 -3,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.725 102.0 33.1 -74.5 -23.0 7.4 17.7 34.5 27 28 A D <> + 0 0 77 -3,-1.1 4,-2.7 -4,-0.4 5,-0.4 -0.686 69.7 166.8-133.9 77.5 10.2 19.6 32.8 28 29 A K H > S+ 0 0 34 -3,-0.5 4,-1.6 -2,-0.3 5,-0.2 0.868 77.2 47.5 -62.2 -39.0 10.9 17.7 29.5 29 30 A K H > S+ 0 0 65 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.965 117.6 40.4 -68.3 -51.5 13.0 20.5 27.9 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.947 123.1 37.8 -63.0 -51.3 15.2 21.0 31.0 31 32 A N H X S+ 0 0 10 -4,-2.7 4,-2.4 -7,-0.2 -1,-0.2 0.812 114.5 56.2 -72.5 -29.5 15.6 17.4 32.0 32 33 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.4 -1,-0.2 0.929 110.9 43.3 -67.3 -44.1 15.8 16.2 28.4 33 34 A V H X S+ 0 0 11 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.875 114.0 51.3 -68.3 -37.3 18.7 18.6 27.6 34 35 A A H X S+ 0 0 36 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.914 109.0 52.4 -65.4 -41.5 20.4 17.7 30.9 35 36 A L H X S+ 0 0 11 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.943 115.1 38.7 -59.6 -52.8 20.1 14.0 30.1 36 37 A F H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.865 112.6 53.8 -70.5 -38.3 21.7 14.2 26.7 37 38 A T H X S+ 0 0 45 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.853 109.0 52.3 -63.8 -31.8 24.4 16.7 27.5 38 39 A T H X S+ 0 0 32 -4,-1.6 4,-2.7 -5,-0.2 5,-0.3 0.878 104.9 55.9 -69.8 -36.5 25.4 14.4 30.3 39 40 A L H X S+ 0 0 13 -4,-1.3 4,-2.2 1,-0.2 7,-0.2 0.940 110.5 43.9 -60.0 -47.0 25.6 11.5 27.8 40 41 A F H < S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 113.6 51.4 -69.0 -29.7 28.1 13.5 25.7 41 42 A A H < S+ 0 0 70 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.901 119.1 34.2 -74.4 -42.4 30.1 14.6 28.6 42 43 A D H < S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.718 132.2 30.7 -85.4 -22.7 30.5 11.1 30.1 43 44 A N >< + 0 0 34 -4,-2.2 3,-2.2 -5,-0.3 4,-0.3 -0.561 62.0 168.9-137.3 72.3 30.7 9.3 26.8 44 45 A Q G > S+ 0 0 146 -3,-0.4 3,-1.6 1,-0.3 4,-0.4 0.734 71.9 75.2 -55.1 -25.0 32.2 11.5 24.2 45 46 A E G > S+ 0 0 105 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.741 88.0 60.8 -62.0 -21.9 32.5 8.5 21.8 46 47 A T G X S+ 0 0 6 -3,-2.2 3,-1.5 -7,-0.2 4,-0.3 0.621 80.5 83.3 -81.2 -12.6 28.8 8.8 21.2 47 48 A I G X S+ 0 0 57 -3,-1.6 3,-2.1 -4,-0.3 -1,-0.2 0.840 77.0 71.0 -59.7 -32.1 29.0 12.3 19.8 48 49 A G G X S+ 0 0 38 -3,-0.6 3,-0.8 -4,-0.4 -1,-0.3 0.769 89.8 60.0 -56.0 -28.1 29.9 10.8 16.4 49 50 A Y G < S+ 0 0 104 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.645 102.4 55.1 -75.0 -14.4 26.3 9.5 16.0 50 51 A F G X + 0 0 42 -3,-2.1 3,-1.5 -4,-0.3 4,-0.5 -0.121 59.1 132.3-113.4 37.3 25.0 13.0 16.2 51 52 A K G X S+ 0 0 165 -3,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.839 70.9 62.3 -54.8 -35.5 26.9 14.8 13.4 52 53 A R G 3 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.771 92.7 64.4 -63.5 -27.3 23.6 16.3 12.2 53 54 A L G < S- 0 0 7 -3,-1.5 12,-0.3 1,-0.2 2,-0.3 0.692 92.6-153.2 -71.3 -19.6 23.1 18.2 15.4 54 55 A G < + 0 0 49 -3,-1.2 2,-1.3 -4,-0.5 -1,-0.2 -0.610 61.4 11.5 85.5-142.3 26.1 20.4 15.0 55 56 A D > - 0 0 81 -2,-0.3 3,-1.4 1,-0.2 4,-0.1 -0.607 62.8-177.9 -78.6 95.0 28.0 21.8 18.0 56 57 A V G > S+ 0 0 18 -2,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.602 72.5 75.6 -69.2 -12.8 26.4 19.9 20.9 57 58 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.667 80.2 73.2 -73.7 -14.0 28.5 21.9 23.4 58 59 A Q G X S- 0 0 109 -3,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.660 81.0-178.0 -72.0 -15.8 26.2 24.8 22.9 59 60 A G G X + 0 0 12 -3,-1.3 3,-2.2 1,-0.3 7,-0.3 -0.278 62.9 9.0 57.7-129.6 23.5 22.9 24.8 60 61 A M G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.765 125.1 64.0 -54.3 -30.6 20.1 24.7 25.1 61 62 A A G < S+ 0 0 74 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.571 82.5 88.4 -73.5 -9.9 21.2 27.3 22.6 62 63 A N <> - 0 0 21 -3,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.827 66.7-159.6 -92.3 109.1 21.5 24.7 19.9 63 64 A D H > S+ 0 0 82 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.860 89.6 49.7 -56.6 -41.2 18.1 24.4 18.3 64 65 A K H > S+ 0 0 105 -11,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.892 112.4 47.1 -67.2 -39.9 18.6 21.0 16.8 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.900 113.2 49.1 -67.8 -40.3 19.9 19.6 20.1 66 67 A R H X S+ 0 0 17 -4,-2.5 4,-2.3 -7,-0.3 5,-0.3 0.911 110.7 50.8 -65.3 -41.9 17.0 21.2 22.0 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.906 113.1 45.2 -62.2 -41.9 14.5 19.7 19.4 68 69 A H H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.904 112.7 51.1 -67.5 -42.8 16.0 16.2 19.8 69 70 A S H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.883 111.2 46.3 -63.9 -42.0 16.1 16.4 23.6 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.941 113.9 50.1 -65.7 -45.4 12.5 17.5 24.0 71 72 A T H >X S+ 0 0 42 -4,-1.9 3,-1.0 -5,-0.3 4,-0.6 0.851 103.2 58.8 -62.0 -37.1 11.4 14.8 21.5 72 73 A L H >X S+ 0 0 37 -4,-2.2 4,-1.4 1,-0.3 3,-1.2 0.880 99.1 59.9 -59.9 -37.2 13.4 12.1 23.3 73 74 A M H 3X S+ 0 0 2 -4,-1.2 4,-1.7 -3,-0.4 -1,-0.3 0.730 98.0 58.2 -66.3 -23.5 11.3 12.8 26.5 74 75 A Y H < S+ 0 0 7 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.922 111.5 49.3 -56.1 -48.1 6.8 3.9 27.5 80 81 A I H >< S+ 0 0 6 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.917 108.6 53.5 -58.8 -43.4 5.5 5.0 31.0 81 82 A D H 3< S+ 0 0 63 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.743 107.2 52.9 -64.5 -22.7 2.0 5.3 29.6 82 83 A Q T X< S+ 0 0 19 -4,-1.3 3,-1.2 -3,-0.7 7,-0.5 0.382 75.8 102.3 -93.9 3.8 2.2 1.7 28.3 83 84 A L T < S+ 0 0 6 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.802 74.0 61.3 -58.6 -29.6 3.2 0.1 31.6 84 85 A D T 3 S+ 0 0 119 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.793 106.3 47.2 -67.4 -28.5 -0.3 -1.2 32.3 85 86 A N X> - 0 0 54 -3,-1.2 4,-2.6 1,-0.1 3,-0.7 -0.893 62.9-165.6-123.0 104.9 -0.3 -3.4 29.1 86 87 A P H 3> S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 91.9 55.9 -52.1 -39.6 2.7 -5.6 28.3 87 88 A D H 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.874 111.2 42.6 -63.9 -38.1 1.4 -6.1 24.8 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-1.9 2,-0.2 5,-0.2 0.887 112.0 53.6 -76.7 -38.8 1.3 -2.4 24.1 89 90 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 -7,-0.5 -2,-0.2 0.948 110.2 48.6 -59.1 -47.0 4.6 -1.7 25.8 90 91 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.925 110.7 48.4 -61.0 -45.6 6.3 -4.3 23.6 91 92 A C H X S+ 0 0 8 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.837 113.2 48.5 -67.6 -27.8 4.9 -3.1 20.3 92 93 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.840 111.9 49.3 -78.3 -32.3 5.9 0.5 21.1 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.911 111.5 48.4 -71.6 -41.7 9.4 -0.6 22.1 94 95 A E H X S+ 0 0 59 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.891 111.7 50.4 -64.0 -37.4 9.8 -2.6 18.9 95 96 A K H >X S+ 0 0 48 -4,-1.5 3,-0.6 -5,-0.2 4,-0.5 0.932 110.6 49.8 -65.1 -45.2 8.6 0.4 16.9 96 97 A F H 3X S+ 0 0 49 -4,-2.1 4,-0.7 1,-0.2 3,-0.4 0.865 106.2 57.0 -60.7 -38.6 11.0 2.6 18.7 97 98 A A H 3X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.780 85.6 81.6 -66.6 -29.3 13.9 0.2 18.0 98 99 A V H S+ 0 0 43 -4,-0.7 5,-2.4 2,-0.2 -1,-0.2 0.854 107.5 51.1 -71.7 -31.8 18.0 2.8 16.2 101 102 A I H ><5S+ 0 0 83 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.891 106.9 54.2 -69.2 -38.5 18.7 -0.6 14.6 102 103 A T H 3<5S+ 0 0 110 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.788 106.1 52.7 -65.3 -27.3 19.1 1.1 11.3 103 104 A R T 3<5S- 0 0 107 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.384 116.0-118.2 -88.3 2.4 21.7 3.4 12.9 104 105 A K T < 5 + 0 0 165 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.852 54.4 163.1 62.8 37.8 23.6 0.4 14.2 105 106 A I < - 0 0 20 -5,-2.4 -1,-0.2 4,-0.1 -2,-0.1 -0.804 25.5-151.0 -89.0 113.0 23.1 1.4 17.8 106 107 A S > - 0 0 53 -2,-0.8 4,-2.6 -3,-0.1 5,-0.2 -0.238 26.4-106.3 -79.8 171.3 23.8 -1.8 19.8 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.888 123.2 51.3 -63.1 -39.3 22.3 -2.8 23.2 108 109 A A H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.885 110.8 47.9 -65.2 -39.6 25.7 -2.0 24.8 109 110 A E H >4 S+ 0 0 37 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.927 112.3 48.3 -66.9 -46.5 25.7 1.4 23.2 110 111 A F H >< S+ 0 0 38 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.856 100.5 66.7 -62.6 -36.1 22.2 2.2 24.2 111 112 A G G >< S+ 0 0 13 -4,-2.1 3,-1.7 1,-0.3 4,-0.3 0.624 78.7 82.0 -62.1 -13.3 22.9 1.1 27.8 112 113 A K G < S+ 0 0 56 -3,-1.4 3,-0.5 -4,-0.3 -1,-0.3 0.621 76.5 73.2 -67.7 -10.1 25.2 4.1 28.1 113 114 A I G <> S+ 0 0 22 -3,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.682 77.4 77.6 -77.0 -16.6 22.1 6.1 28.8 114 115 A N H <> S+ 0 0 48 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.880 89.8 54.0 -59.6 -40.7 21.9 4.5 32.3 115 116 A G H > S+ 0 0 35 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.969 110.4 44.7 -59.0 -56.2 24.6 6.7 33.7 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.862 112.5 52.7 -56.7 -38.6 23.0 10.0 32.6 117 118 A I H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 108.0 50.9 -65.4 -41.7 19.6 8.8 33.9 118 119 A K H X S+ 0 0 97 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 111.9 47.5 -61.3 -42.7 21.1 8.0 37.3 119 120 A K H X S+ 0 0 110 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.894 112.1 47.6 -67.0 -41.6 22.6 11.4 37.5 120 121 A V H < S+ 0 0 10 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.893 112.7 50.9 -66.5 -38.7 19.5 13.3 36.5 121 122 A L H ><>S+ 0 0 3 -4,-2.3 5,-2.2 1,-0.2 3,-1.4 0.931 109.3 50.2 -62.2 -46.7 17.5 11.2 39.0 122 123 A A H ><5S+ 0 0 59 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.813 101.7 62.0 -63.0 -30.9 19.9 12.0 41.8 123 124 A S T 3<5S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.679 107.4 45.7 -69.2 -15.8 19.7 15.7 41.0 124 125 A K T < 5S- 0 0 80 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.145 126.5-100.4-110.7 15.4 16.0 15.4 41.9 125 126 A N T < 5S+ 0 0 156 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.800 79.1 135.6 70.9 32.9 16.7 13.4 45.1 126 127 A F < - 0 0 30 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.953 38.0-161.7-113.0 114.4 15.8 10.0 43.6 127 128 A G >> - 0 0 42 -2,-0.6 4,-1.7 -3,-0.1 3,-1.1 0.164 39.6 -58.7 -82.8-160.7 18.4 7.4 44.6 128 129 A D H 3> S+ 0 0 105 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.784 123.5 65.8 -50.4 -37.6 19.6 4.0 43.5 129 130 A K H 3> S+ 0 0 125 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.905 109.4 39.2 -54.5 -43.4 16.2 2.3 43.9 130 131 A Y H <> S+ 0 0 39 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.855 111.8 55.9 -76.5 -36.6 14.9 4.5 41.1 131 132 A A H X S+ 0 0 7 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.902 109.4 48.5 -62.4 -39.0 18.1 4.3 38.9 132 133 A N H X S+ 0 0 94 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.867 108.6 53.2 -68.6 -36.6 17.7 0.5 39.1 133 134 A A H X S+ 0 0 3 -4,-1.3 4,-1.3 -5,-0.2 3,-0.3 0.928 110.8 46.9 -64.3 -44.9 14.0 0.7 38.1 134 135 A W H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.840 105.9 58.7 -66.5 -31.9 14.9 2.8 35.1 135 136 A A H X S+ 0 0 32 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.846 103.3 54.5 -64.9 -31.6 17.7 0.4 34.2 136 137 A K H X S+ 0 0 74 -4,-1.4 4,-0.7 -3,-0.3 -1,-0.2 0.868 109.0 46.3 -68.0 -38.3 15.0 -2.3 34.0 137 138 A L H >X S+ 0 0 3 -4,-1.3 4,-1.1 2,-0.2 3,-1.0 0.921 111.0 51.8 -70.2 -43.7 13.0 -0.3 31.5 138 139 A V H 3X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.3 3,-0.3 0.864 102.8 61.4 -60.3 -34.2 16.1 0.5 29.4 139 140 A A H 3X S+ 0 0 36 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.786 96.3 59.1 -63.7 -28.1 16.8 -3.3 29.4 140 141 A V H X S+ 0 0 2 -4,-1.1 3,-1.4 -3,-0.3 4,-0.6 0.919 109.2 56.5 -68.7 -42.3 14.7 -1.6 24.8 142 143 A Q H >< S+ 0 0 50 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.856 101.4 57.7 -57.4 -35.3 18.1 -3.3 24.8 143 144 A A H 3< S+ 0 0 41 -4,-1.7 -141,-0.3 1,-0.2 -1,-0.3 0.730 105.0 52.1 -67.7 -21.6 16.4 -6.6 24.2 144 145 A A H << 0 0 21 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.515 360.0 360.0 -92.3 -7.6 14.9 -5.2 21.0 145 146 A L << 0 0 65 -3,-1.0 -39,-0.1 -4,-0.6 -47,-0.1 -0.382 360.0 360.0 -90.1 360.0 18.2 -4.0 19.5 146 !* 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 0.0 147 2 B S > 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.3 9.3 29.4 6.5 148 3 B V H > + 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.880 360.0 52.3 -66.7 -38.0 8.2 27.2 9.5 149 4 B Y H > S+ 0 0 105 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.910 108.0 52.2 -63.7 -41.0 8.2 30.3 11.7 150 5 B D H 4 S+ 0 0 120 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.899 110.5 47.2 -62.0 -41.0 5.9 32.0 9.2 151 6 B A H >< S+ 0 0 20 -4,-2.0 3,-1.8 1,-0.2 4,-0.3 0.893 106.9 57.4 -67.5 -38.5 3.5 29.1 9.3 152 7 B A H >< S+ 0 0 10 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.774 93.7 69.1 -62.6 -25.5 3.6 29.0 13.1 153 8 B A T 3< S+ 0 0 73 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.705 87.1 66.3 -66.1 -19.9 2.4 32.7 13.0 154 9 B Q T < S+ 0 0 116 -3,-1.8 2,-1.9 -4,-0.3 -1,-0.3 0.625 76.4 94.4 -75.6 -13.9 -0.9 31.4 11.7 155 10 B L < - 0 0 16 -3,-1.6 -1,-0.1 -4,-0.3 -3,-0.0 -0.582 65.3-178.4 -81.8 81.9 -1.4 29.7 15.1 156 11 B T > - 0 0 71 -2,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.185 43.3 -94.8 -75.1 171.4 -3.4 32.5 16.7 157 12 B A H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.900 126.7 47.1 -54.6 -45.5 -4.7 32.5 20.3 158 13 B D H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 111.4 51.3 -66.9 -37.1 -8.1 31.2 19.2 159 14 B V H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.933 109.8 48.9 -65.4 -46.0 -6.5 28.5 17.1 160 15 B K H X S+ 0 0 40 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.872 109.5 53.6 -62.3 -35.8 -4.3 27.3 19.9 161 16 B K H X S+ 0 0 112 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.916 109.6 46.5 -65.3 -43.7 -7.3 27.2 22.2 162 17 B D H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.857 112.1 51.7 -67.9 -33.9 -9.3 25.0 19.9 163 18 B L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.942 113.0 44.5 -66.1 -47.6 -6.3 22.7 19.4 164 19 B R H X S+ 0 0 75 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.915 113.9 49.6 -63.3 -44.5 -5.8 22.3 23.2 165 20 B D H < S+ 0 0 45 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.886 114.7 43.0 -64.1 -40.3 -9.5 21.8 23.8 166 21 B S H >X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.8 0.850 111.1 55.3 -75.6 -31.6 -9.9 19.2 21.2 167 22 B W H 3X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.817 93.5 69.8 -68.9 -28.7 -6.7 17.4 22.1 168 23 B K H 3< S+ 0 0 162 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.833 114.7 27.9 -56.5 -31.1 -8.0 17.1 25.7 169 24 B V H X4 S+ 0 0 56 -3,-0.8 3,-1.5 -4,-0.5 4,-0.3 0.882 123.2 46.7 -95.4 -53.7 -10.4 14.6 24.3 170 25 B I H >< S+ 0 0 7 -4,-2.8 3,-1.0 1,-0.3 7,-0.2 0.903 113.7 50.1 -57.6 -42.7 -8.6 13.1 21.3 171 26 B G T 3< S+ 0 0 6 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.3 0.470 90.7 80.1 -77.7 -0.0 -5.4 12.6 23.2 172 27 B S T < S+ 0 0 92 -3,-1.5 -1,-0.2 1,-0.3 2,-0.2 0.619 102.0 34.8 -81.0 -14.2 -7.2 10.8 26.1 173 28 B D <> + 0 0 78 -3,-1.0 4,-2.7 -4,-0.3 5,-0.4 -0.678 70.0 167.4-137.8 78.2 -7.3 7.6 24.1 174 29 B K H > S+ 0 0 31 -3,-0.4 4,-1.7 -2,-0.2 5,-0.3 0.877 77.3 46.9 -62.9 -39.5 -4.1 7.5 22.1 175 30 B K H > S+ 0 0 64 3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.968 117.5 41.5 -67.9 -51.4 -4.3 3.9 21.1 176 31 B G H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.941 123.5 35.9 -62.0 -50.7 -8.0 4.0 20.1 177 32 B N H X S+ 0 0 11 -4,-2.7 4,-2.5 -7,-0.2 -1,-0.2 0.804 114.5 56.8 -76.0 -28.3 -7.9 7.4 18.3 178 33 B G H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.4 -2,-0.2 0.927 111.0 43.4 -67.3 -43.4 -4.4 6.8 16.9 179 34 B V H X S+ 0 0 11 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.896 113.0 52.5 -68.0 -38.6 -5.5 3.6 15.2 180 35 B A H X S+ 0 0 34 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.929 112.2 46.3 -61.8 -44.7 -8.7 5.3 14.0 181 36 B L H X S+ 0 0 8 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.957 116.0 44.1 -60.4 -53.1 -6.7 8.1 12.5 182 37 B F H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.889 114.0 47.3 -61.2 -44.8 -4.2 5.8 10.8 183 38 B T H X S+ 0 0 45 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.807 109.1 55.8 -71.3 -28.0 -6.6 3.3 9.4 184 39 B T H X S+ 0 0 32 -4,-1.6 4,-2.6 -5,-0.3 5,-0.3 0.878 102.8 56.2 -70.6 -36.0 -8.8 6.1 8.1 185 40 B L H X S+ 0 0 18 -4,-1.6 4,-2.3 1,-0.2 7,-0.2 0.934 110.4 44.7 -58.9 -45.7 -5.8 7.4 6.2 186 41 B F H < S+ 0 0 15 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.7 51.7 -67.0 -36.4 -5.5 4.0 4.5 187 42 B A H < S+ 0 0 76 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.906 118.5 34.9 -68.6 -42.5 -9.2 3.7 3.8 188 43 B D H < S+ 0 0 72 -4,-2.6 2,-0.2 1,-0.2 -2,-0.2 0.755 132.0 29.0 -84.8 -26.7 -9.5 7.1 2.2 189 44 B N >< + 0 0 37 -4,-2.3 3,-2.1 -5,-0.3 4,-0.2 -0.652 65.5 175.3-135.1 77.2 -6.1 7.2 0.4 190 45 B Q G > S+ 0 0 153 -3,-0.4 3,-2.1 1,-0.3 4,-0.3 0.795 73.6 71.4 -52.5 -33.2 -5.1 3.6 -0.3 191 46 B E G > S+ 0 0 95 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.735 83.1 70.6 -59.2 -22.6 -2.0 4.7 -2.1 192 47 B T G X S+ 0 0 6 -3,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.668 78.4 77.8 -70.7 -13.8 -0.4 5.7 1.2 193 48 B I G X S+ 0 0 64 -3,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.759 76.1 77.9 -65.0 -21.7 -0.1 2.0 2.1 194 49 B G G < S+ 0 0 68 -3,-1.5 3,-0.5 1,-0.3 -1,-0.3 0.737 89.2 54.3 -59.8 -22.4 2.9 2.0 -0.2 195 50 B Y G < S+ 0 0 105 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.535 103.4 59.0 -88.2 -6.1 5.0 3.7 2.4 196 51 B F X + 0 0 45 -3,-1.9 3,-1.6 -4,-0.2 4,-0.4 -0.064 52.1 129.7-118.5 35.0 4.2 1.0 5.1 197 52 B K G > S+ 0 0 188 -3,-0.5 3,-1.9 1,-0.3 -1,-0.2 0.886 72.8 64.2 -53.4 -39.1 5.4 -2.3 3.7 198 53 B R G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.769 91.6 63.8 -57.7 -27.7 7.2 -2.9 7.0 199 54 B L G < S- 0 0 5 -3,-1.6 12,-0.3 1,-0.2 -1,-0.3 0.659 92.1-157.6 -73.8 -13.6 3.9 -2.9 8.9 200 55 B G < + 0 0 50 -3,-1.9 2,-1.6 -4,-0.4 -1,-0.2 -0.544 61.7 19.3 78.8-136.7 2.8 -6.0 7.1 201 56 B D > + 0 0 86 -2,-0.3 3,-1.6 1,-0.2 4,-0.1 -0.537 63.3 176.8 -76.1 87.6 -0.9 -6.8 6.8 202 57 B V G > + 0 0 22 -2,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.612 68.6 78.1 -67.6 -12.5 -2.5 -3.4 7.6 203 58 B S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.659 80.0 71.9 -71.7 -12.4 -6.0 -4.8 7.0 204 59 B Q G X S- 0 0 108 -3,-1.6 3,-1.4 1,-0.2 -1,-0.3 0.654 81.7-175.9 -75.3 -15.9 -5.7 -6.4 10.5 205 60 B G G X + 0 0 13 -3,-1.4 3,-2.0 1,-0.3 7,-0.3 -0.294 63.1 7.3 59.6-134.3 -6.0 -2.9 12.0 206 61 B M G 3 S+ 0 0 76 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.783 126.6 62.1 -48.9 -36.5 -5.7 -2.8 15.8 207 62 B A G < S+ 0 0 74 -3,-1.4 2,-0.8 4,-0.1 -1,-0.3 0.671 80.5 93.0 -68.7 -19.1 -4.7 -6.4 16.0 208 63 B N <> - 0 0 10 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 -0.697 68.4-155.1 -78.6 109.8 -1.6 -5.8 14.0 209 64 B D H > S+ 0 0 87 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.880 91.0 48.4 -55.6 -43.4 1.1 -5.2 16.6 210 65 B K H > S+ 0 0 83 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 113.4 47.0 -66.1 -41.0 3.3 -3.2 14.3 211 66 B L H > S+ 0 0 0 -12,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.923 113.6 48.8 -65.5 -42.0 0.4 -1.0 13.1 212 67 B R H X S+ 0 0 18 -4,-2.8 4,-2.3 -7,-0.3 5,-0.3 0.915 110.5 51.2 -63.9 -42.3 -0.7 -0.5 16.7 213 68 B G H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.894 112.7 45.6 -62.3 -40.5 2.8 0.4 17.8 214 69 B H H X S+ 0 0 28 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 112.0 51.7 -68.8 -42.4 3.1 3.0 15.0 215 70 B S H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.876 111.4 45.8 -62.7 -41.4 -0.4 4.4 15.7 216 71 B I H X S+ 0 0 1 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.941 113.4 50.3 -66.7 -45.8 0.2 4.9 19.4 217 72 B T H >X S+ 0 0 42 -4,-1.9 3,-1.1 -5,-0.3 4,-0.6 0.861 102.4 60.6 -61.1 -37.5 3.7 6.4 18.7 218 73 B L H >X S+ 0 0 45 -4,-2.3 4,-1.3 1,-0.3 3,-1.3 0.887 98.0 60.0 -56.9 -39.3 2.2 8.9 16.2 219 74 B M H 3X S+ 0 0 0 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.3 0.725 96.9 59.1 -64.6 -24.0 0.0 10.4 18.9 220 75 B Y H < S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.912 111.9 50.1 -56.9 -46.8 3.4 19.7 19.2 226 81 B I H >< S+ 0 0 7 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.900 108.1 53.6 -60.6 -41.4 0.4 20.6 21.4 227 82 B D H 3< S+ 0 0 75 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.763 108.9 49.3 -66.5 -24.6 2.7 21.0 24.5 228 83 B Q T X< S+ 0 0 22 -4,-1.3 3,-1.9 -3,-0.5 7,-0.5 0.375 76.3 109.0 -96.2 4.8 5.0 23.5 22.7 229 84 B L T < S+ 0 0 4 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.780 74.4 54.0 -52.2 -33.9 2.2 25.8 21.3 230 85 B D T 3 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.505 105.3 55.3 -83.9 -2.7 3.0 28.7 23.7 231 86 B N X> - 0 0 57 -3,-1.9 4,-2.5 1,-0.1 3,-0.9 -0.837 62.9-169.6-131.8 95.9 6.7 28.9 22.7 232 87 B P H 3> S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.830 87.2 58.9 -51.2 -37.8 7.3 29.3 18.9 233 88 B D H 3> S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.885 111.9 39.5 -62.7 -38.4 11.0 28.7 19.3 234 89 B D H <> S+ 0 0 8 -3,-0.9 4,-1.9 -6,-0.2 5,-0.2 0.874 113.7 53.8 -78.8 -37.8 10.4 25.3 20.8 235 90 B L H X S+ 0 0 2 -4,-2.5 4,-2.2 -7,-0.5 5,-0.2 0.942 109.7 49.4 -60.6 -46.1 7.5 24.4 18.5 236 91 B V H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.918 110.4 48.4 -61.2 -44.9 9.7 25.2 15.5 237 92 B C H X S+ 0 0 5 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.843 113.0 47.9 -68.6 -29.5 12.7 23.1 16.6 238 93 B V H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.856 111.8 50.3 -76.9 -34.3 10.5 20.1 17.4 239 94 B V H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.913 111.6 47.4 -68.6 -41.5 8.7 20.3 14.1 240 95 B E H X S+ 0 0 97 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.889 111.8 50.8 -67.2 -35.8 12.0 20.5 12.2 241 96 B K H X S+ 0 0 42 -4,-1.6 4,-0.5 -5,-0.2 3,-0.4 0.918 110.4 50.3 -64.7 -42.9 13.3 17.5 14.2 242 97 B F H X S+ 0 0 47 -4,-2.2 4,-0.7 1,-0.2 3,-0.3 0.851 106.5 55.7 -63.0 -36.5 10.1 15.6 13.3 243 98 B A H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.779 86.0 81.9 -69.9 -28.3 10.5 16.4 9.6 244 99 B V H X S+ 0 0 35 -4,-1.2 4,-2.0 -3,-0.4 -1,-0.2 0.900 97.6 37.8 -44.5 -58.3 14.0 14.9 9.3 245 100 B N H X S+ 0 0 51 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.821 116.0 53.6 -68.0 -30.2 12.9 11.3 8.9 246 101 B H H <>S+ 0 0 40 -4,-0.7 5,-2.1 2,-0.2 -1,-0.2 0.863 107.7 50.4 -72.9 -32.7 9.9 12.2 6.8 247 102 B I H ><5S+ 0 0 65 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.923 108.0 53.6 -67.7 -42.4 12.1 14.2 4.4 248 103 B T H 3<5S+ 0 0 100 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.813 105.3 54.5 -60.6 -30.2 14.4 11.1 4.2 249 104 B R T 3<5S- 0 0 105 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.439 115.2-118.8 -83.1 -0.9 11.3 9.0 3.3 250 105 B K T < 5 + 0 0 140 -3,-1.9 2,-0.8 1,-0.2 -3,-0.2 0.877 55.0 161.1 63.9 41.0 10.5 11.4 0.4 251 106 B I < - 0 0 23 -5,-2.1 -1,-0.2 4,-0.1 -2,-0.1 -0.849 27.7-148.5 -95.8 110.5 7.1 12.4 1.9 252 107 B S > - 0 0 56 -2,-0.8 4,-2.7 39,-0.1 5,-0.2 -0.234 25.0-108.0 -74.9 166.4 6.1 15.7 0.2 253 108 B A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.879 122.1 51.9 -61.3 -38.5 4.1 18.4 1.8 254 109 B A H 4 S+ 0 0 77 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.905 110.1 47.6 -65.3 -42.1 1.2 17.4 -0.5 255 110 B E H >4 S+ 0 0 39 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.926 111.3 50.8 -65.0 -44.4 1.4 13.8 0.6 256 111 B F H >< S+ 0 0 37 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.867 99.2 67.1 -61.0 -36.8 1.6 14.7 4.3 257 112 B G G >< S+ 0 0 14 -4,-2.0 3,-1.7 1,-0.3 4,-0.3 0.608 78.0 82.0 -60.8 -13.3 -1.5 16.9 3.8 258 113 B K G < S+ 0 0 53 -3,-1.6 3,-0.5 -4,-0.3 -1,-0.3 0.640 77.1 71.8 -67.4 -12.4 -3.6 13.8 3.1 259 114 B I G <> S+ 0 0 30 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.648 78.3 79.0 -77.7 -13.6 -3.8 13.3 6.9 260 115 B N H <> S+ 0 0 49 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.897 90.1 51.1 -61.3 -43.2 -6.2 16.3 7.1 261 116 B G H > S+ 0 0 38 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.957 110.7 47.5 -60.3 -52.4 -9.2 14.3 6.0 262 117 B P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.877 111.6 51.4 -57.2 -38.5 -8.7 11.6 8.6 263 118 B I H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.917 107.7 52.5 -65.9 -41.3 -8.2 14.2 11.3 264 119 B K H X S+ 0 0 109 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.901 111.7 46.5 -60.5 -41.1 -11.4 15.9 10.3 265 120 B K H X S+ 0 0 111 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.885 111.6 49.3 -70.0 -40.5 -13.3 12.6 10.6 266 121 B V H X S+ 0 0 8 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.915 112.4 49.0 -65.8 -40.7 -11.8 11.6 13.9 267 122 B L H ><>S+ 0 0 3 -4,-2.6 5,-2.4 1,-0.2 3,-1.3 0.923 109.9 51.9 -63.0 -42.9 -12.7 15.0 15.3 268 123 B A H ><5S+ 0 0 58 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.822 100.4 61.6 -63.4 -32.0 -16.2 14.7 14.0 269 124 B S H 3<5S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.701 108.4 44.5 -68.0 -17.4 -16.6 11.3 15.7 270 125 B K T <<5S- 0 0 88 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.206 126.0-104.0-108.1 11.1 -16.1 13.1 19.0 271 126 B N T < 5S+ 0 0 152 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.768 73.4 141.4 71.7 31.1 -18.4 16.0 17.9 272 127 B F < - 0 0 30 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.920 38.9-150.8-103.9 114.6 -15.8 18.6 17.1 273 128 B G >> - 0 0 41 -2,-0.7 4,-1.7 -3,-0.1 3,-1.2 0.168 36.2 -68.9 -75.2-168.2 -16.9 20.5 14.0 274 129 B D H 3> S+ 0 0 103 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.788 124.3 68.2 -52.2 -34.8 -15.3 22.3 11.1 275 130 B K H 3> S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.913 107.4 38.7 -51.8 -46.7 -14.0 25.0 13.5 276 131 B Y H <> S+ 0 0 49 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.844 111.9 56.3 -75.1 -36.6 -11.7 22.5 15.1 277 132 B A H X S+ 0 0 14 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.890 106.5 52.0 -63.7 -37.9 -10.8 20.8 11.8 278 133 B N H X S+ 0 0 100 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.870 107.6 51.6 -66.4 -36.6 -9.6 24.1 10.5 279 134 B A H X S+ 0 0 4 -4,-1.1 4,-1.3 -5,-0.2 3,-0.2 0.918 110.6 48.6 -66.0 -42.4 -7.4 24.7 13.5 280 135 B W H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.842 105.4 57.6 -67.0 -32.5 -5.8 21.3 13.0 281 136 B A H X S+ 0 0 32 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.843 104.6 53.2 -65.7 -31.9 -5.2 22.0 9.4 282 137 B K H X S+ 0 0 82 -4,-1.3 4,-0.9 -3,-0.2 -1,-0.2 0.844 108.1 49.1 -71.5 -33.0 -3.2 25.0 10.4 283 138 B L H >X S+ 0 0 3 -4,-1.3 4,-1.2 2,-0.2 3,-0.8 0.923 110.5 50.5 -70.5 -42.9 -1.1 22.9 12.7 284 139 B V H 3X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.853 103.6 60.9 -61.4 -33.4 -0.5 20.4 9.9 285 140 B A H 3X S+ 0 0 38 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.809 97.3 58.4 -64.0 -29.8 0.5 23.4 7.7 286 141 B V H << S+ 0 0 0 -4,-0.9 4,-0.5 -3,-0.8 -1,-0.2 0.920 109.5 43.8 -65.5 -42.3 3.4 24.1 10.1 287 142 B V H >X S+ 0 0 3 -4,-1.2 3,-1.7 1,-0.2 4,-0.5 0.914 109.4 56.5 -67.8 -43.0 4.7 20.6 9.5 288 143 B Q H >< S+ 0 0 50 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.845 99.2 61.2 -57.2 -34.3 4.1 20.9 5.7 289 144 B A T 3< S+ 0 0 37 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.725 103.4 51.3 -65.5 -20.7 6.3 24.1 5.7 290 145 B A T <4 0 0 17 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.517 360.0 360.0 -94.4 -7.1 9.2 21.9 7.0 291 146 B L << 0 0 66 -3,-1.1 -39,-0.1 -4,-0.5 -47,-0.1 -0.418 360.0 360.0 -94.8 360.0 8.9 19.2 4.3