==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/OXYGEN BINDING 13-NOV-07 3BCQ . COMPND 2 MOLECULE: ALPHA-CHAIN HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRYCON CEPHALUS; . AUTHOR C.D.POY,A.M.LEOPOLDINO,P.RAHAL,W.F.DE AZEVEDO, . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 1 1 0 1 0 0 1 3 2 4 1 0 6 4 0 0 1 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 1 A S 0 0 37 0, 0.0 128,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -49.0 -5.4 18.0 21.2 2 2 A L - 0 0 24 126,-0.1 2,-0.3 72,-0.1 123,-0.0 -0.354 360.0-162.7 -67.3 131.8 -1.9 19.8 21.6 3 3 A S >> - 0 0 47 -2,-0.1 4,-2.2 1,-0.1 3,-1.1 -0.698 36.0 -99.3-107.4 167.1 -2.3 23.1 23.4 4 4 A D H 3> S+ 0 0 136 1,-0.3 4,-1.6 -2,-0.3 5,-0.1 0.772 126.1 54.4 -57.6 -32.1 0.2 25.9 23.4 5 5 A K H 3> S+ 0 0 132 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.784 107.0 50.8 -69.2 -27.2 1.5 24.7 26.8 6 6 A D H <> S+ 0 0 3 -3,-1.1 4,-3.4 2,-0.2 5,-0.3 0.938 109.8 51.1 -75.9 -47.1 2.1 21.2 25.3 7 7 A K H X S+ 0 0 44 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.918 113.8 42.1 -47.9 -54.2 4.1 22.7 22.4 8 8 A D H X S+ 0 0 92 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.851 117.2 48.7 -65.3 -36.1 6.4 24.7 24.6 9 9 A S H X S+ 0 0 18 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.891 116.8 39.7 -81.5 -41.8 6.8 21.9 27.1 10 10 A I H X S+ 0 0 2 -4,-3.4 4,-2.4 2,-0.2 3,-0.3 0.916 114.9 52.3 -73.9 -44.3 7.6 19.3 24.5 11 11 A K H X S+ 0 0 103 -4,-3.0 4,-1.7 -5,-0.3 -2,-0.2 0.886 112.0 48.0 -50.3 -37.8 9.8 21.7 22.3 12 12 A A H X S+ 0 0 58 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.769 111.8 50.7 -76.8 -24.2 11.8 22.6 25.4 13 13 A F H X S+ 0 0 8 -4,-0.7 4,-1.6 -3,-0.3 -1,-0.2 0.825 104.2 55.5 -80.8 -40.1 12.0 19.0 26.2 14 14 A W H < S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.910 103.4 56.3 -57.1 -44.6 13.2 18.1 22.8 15 15 A A H < S+ 0 0 74 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 109.7 46.2 -60.6 -38.7 16.1 20.5 23.1 16 16 A K H < S+ 0 0 117 -4,-1.1 2,-0.3 2,-0.1 -1,-0.2 0.818 117.8 39.8 -65.6 -41.1 17.3 18.9 26.4 17 17 A I S < S+ 0 0 0 -4,-1.6 4,-0.1 1,-0.2 93,-0.0 -0.681 91.1 73.2-102.2 157.5 17.1 15.3 25.2 18 18 A S + 0 0 37 -2,-0.3 3,-0.4 1,-0.0 -1,-0.2 0.381 67.3 83.0 119.3 -36.7 18.2 14.7 21.8 19 19 A P S S+ 0 0 104 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.637 112.0 41.7 -43.2 -33.6 21.9 15.0 21.9 20 20 A K S > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.1 3,-0.5 0.193 79.3 118.7-108.9 14.7 20.7 11.6 23.0 21 21 A A H > S+ 0 0 11 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.769 77.7 49.1 -50.9 -34.6 17.9 11.0 20.4 22 22 A E H > S+ 0 0 94 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 108.8 52.2 -80.7 -40.3 19.6 7.9 19.0 23 23 A D H > S+ 0 0 83 -3,-0.5 4,-3.3 2,-0.2 5,-0.3 0.945 111.1 47.2 -43.2 -63.7 20.2 6.4 22.3 24 24 A I H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.927 112.0 52.0 -50.6 -46.0 16.5 6.8 23.2 25 25 A G H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.943 115.8 38.7 -63.2 -47.6 15.5 5.4 19.8 26 26 A A H X S+ 0 0 13 -4,-2.3 4,-1.8 2,-0.2 26,-0.3 0.866 117.7 49.2 -68.1 -37.2 17.6 2.3 20.2 27 27 A D H X S+ 0 0 52 -4,-3.3 4,-2.0 -5,-0.2 5,-0.2 0.990 117.1 42.7 -68.3 -43.0 16.8 1.9 24.0 28 28 A A H X S+ 0 0 1 -4,-3.3 4,-2.3 -5,-0.3 -2,-0.2 0.934 117.1 45.8 -68.0 -45.8 13.0 2.3 23.2 29 29 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.910 112.9 47.3 -64.2 -45.7 13.0 0.0 20.2 30 30 A A H X S+ 0 0 3 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.897 112.6 50.9 -69.1 -34.2 15.0 -2.8 21.6 31 31 A R H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 5,-0.5 0.886 107.7 52.2 -61.4 -41.9 12.8 -2.7 24.8 32 32 A M H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 7,-0.3 0.922 109.7 52.9 -61.2 -43.5 9.7 -2.9 22.7 33 33 A L H < S+ 0 0 0 -4,-2.0 7,-0.2 1,-0.2 -1,-0.2 0.855 119.3 29.4 -67.9 -36.6 11.2 -6.0 20.9 34 34 A T H < S+ 0 0 38 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.861 124.3 45.9 -91.5 -31.7 12.0 -8.0 24.0 35 35 A V H < S+ 0 0 10 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.909 126.6 29.9 -76.3 -37.2 9.3 -6.7 26.3 36 36 A Y S >< S- 0 0 9 -4,-2.4 3,-2.8 -5,-0.5 4,-0.3 -0.682 72.7-179.9-122.4 81.0 6.6 -7.0 23.7 37 37 A P G > S+ 0 0 58 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.596 71.4 75.1 -73.4 -8.1 7.8 -9.9 21.6 38 38 A Q G 3 S+ 0 0 59 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.569 87.3 61.6 -68.4 -16.6 4.7 -9.6 19.3 39 39 A T G X S+ 0 0 1 -3,-2.8 3,-1.3 -7,-0.3 4,-0.3 0.717 87.3 77.2 -80.3 -12.9 6.2 -6.5 17.8 40 40 A K G X S+ 0 0 78 -3,-1.0 3,-1.6 -4,-0.3 4,-0.5 0.765 75.8 75.0 -62.1 -27.5 9.1 -8.8 16.6 41 41 A T G 3 S+ 0 0 58 -3,-0.3 3,-0.3 -4,-0.3 -1,-0.2 0.741 92.4 54.2 -61.9 -26.1 7.0 -10.2 13.8 42 42 A Y G < S+ 0 0 38 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.621 115.0 36.5 -78.6 -20.1 7.5 -7.0 11.8 43 43 A F S X S+ 0 0 37 -3,-1.6 3,-2.6 -4,-0.3 -2,-0.2 0.224 75.6 118.0-119.7 16.4 11.3 -7.0 11.9 44 44 A S T 3 + 0 0 85 -4,-0.5 -1,-0.1 -3,-0.3 -3,-0.1 0.646 66.0 71.1 -66.7 -10.3 12.0 -10.7 11.6 45 45 A H T 3 S+ 0 0 135 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.638 84.8 94.9 -71.3 -17.6 13.9 -10.0 8.3 46 46 A W S < S- 0 0 40 -3,-2.6 3,-0.2 1,-0.1 -3,-0.0 -0.337 77.6-130.2 -77.5 172.6 16.6 -8.4 10.5 47 47 A K S S+ 0 0 160 1,-0.4 2,-0.1 -2,-0.1 -3,-0.1 0.552 88.8 23.1 -84.0 -26.1 19.6 -10.1 11.7 48 48 A D + 0 0 77 2,-0.1 8,-0.4 0, 0.0 -1,-0.4 -0.833 49.6 176.9 122.6 61.4 19.5 -9.3 15.0 49 49 A L + 0 0 32 -3,-0.2 3,-0.1 -2,-0.1 -16,-0.1 0.504 48.6 115.6 -93.5 -10.2 16.6 -8.2 17.2 50 50 A S S > S- 0 0 52 1,-0.2 3,-2.1 2,-0.1 6,-0.2 -0.167 78.5 -84.2 -77.2 156.4 18.4 -7.9 20.5 51 51 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -24,-0.1 -0.342 116.2 13.5 -51.6 122.4 18.9 -4.8 22.6 52 52 A G T 3 S+ 0 0 47 -26,-0.3 -2,-0.1 1,-0.3 -25,-0.1 0.246 90.5 139.1 92.0 -14.3 22.0 -3.0 21.4 53 53 A S <> - 0 0 10 -3,-2.1 4,-2.6 1,-0.1 -1,-0.3 -0.135 65.5-111.0 -65.1 161.3 22.3 -4.9 18.1 54 54 A A H > S+ 0 0 74 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.889 115.5 52.8 -60.3 -48.8 23.3 -2.9 15.0 55 55 A P H > S+ 0 0 19 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.931 113.7 45.7 -57.5 -36.5 19.8 -3.2 13.2 56 56 A V H > S+ 0 0 0 -8,-0.4 4,-3.9 -6,-0.2 5,-0.3 0.967 113.0 48.6 -71.3 -48.2 18.1 -1.9 16.4 57 57 A K H X S+ 0 0 134 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.930 116.1 44.7 -56.5 -43.0 20.6 1.0 16.8 58 58 A K H X S+ 0 0 118 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.946 117.7 42.2 -70.3 -47.1 20.2 1.9 13.1 59 59 A H H X S+ 0 0 57 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.893 111.6 57.0 -70.4 -32.7 16.4 1.6 13.2 60 60 A G H X S+ 0 0 0 -4,-3.9 4,-2.2 -5,-0.3 -1,-0.2 0.900 103.9 53.2 -53.1 -44.9 16.2 3.4 16.6 61 61 A K H X S+ 0 0 78 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.946 110.3 47.4 -62.3 -45.0 18.1 6.4 15.1 62 62 A T H >X S+ 0 0 74 -4,-1.5 4,-2.8 2,-0.2 3,-0.6 0.967 108.5 52.3 -60.0 -59.8 15.5 6.6 12.2 63 63 A V H 3X S+ 0 0 25 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.921 114.8 44.1 -37.8 -56.9 12.4 6.4 14.5 64 64 A M H 3X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -1,-0.3 0.754 108.0 59.0 -71.6 -22.8 13.8 9.2 16.6 65 65 A G H X S+ 0 0 119 -4,-2.0 3,-2.1 1,-0.2 4,-1.6 0.989 111.1 52.6 -54.0 -63.5 10.9 16.2 12.2 70 70 A A H 3< S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.785 107.5 50.6 -39.6 -48.8 7.5 15.8 13.8 71 71 A V H >< S+ 0 0 6 -4,-2.1 3,-0.9 1,-0.2 -1,-0.3 0.820 109.4 51.4 -57.8 -32.6 8.5 18.1 16.8 72 72 A S H << S+ 0 0 81 -3,-2.1 3,-0.2 -4,-1.7 -2,-0.2 0.784 117.8 39.0 -75.4 -28.6 9.7 20.8 14.2 73 73 A K T >< S+ 0 0 108 -4,-1.6 3,-0.7 -5,-0.2 7,-0.3 -0.173 80.0 133.3-107.1 40.0 6.4 20.6 12.4 74 74 A I G X S+ 0 0 2 -3,-0.9 3,-0.5 1,-0.3 -1,-0.1 0.727 70.2 52.2 -69.7 -23.4 4.5 20.2 15.7 75 75 A D G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.707 121.6 34.5 -86.3 -24.4 1.8 22.8 14.7 76 76 A D G X> + 0 0 77 -3,-0.7 4,-2.4 -6,-0.2 3,-0.6 -0.390 69.1 137.7-127.7 64.5 1.3 20.8 11.5 77 77 A L H <> S+ 0 0 10 -3,-0.5 4,-1.5 1,-0.2 5,-0.2 0.889 70.1 69.5 -61.6 -39.9 1.8 17.1 12.4 78 78 A T H 34 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.873 110.1 33.8 -57.0 -31.2 -1.1 16.4 10.3 79 79 A N H X4 S+ 0 0 93 -3,-0.6 3,-1.5 -6,-0.2 4,-0.3 0.963 112.9 57.0 -83.1 -57.1 1.3 17.3 7.3 80 80 A G H 3< S+ 0 0 24 -4,-2.4 4,-0.2 -7,-0.3 -2,-0.2 0.587 114.3 38.8 -44.6 -18.0 4.7 16.1 8.6 81 81 A L T 3X S+ 0 0 4 -4,-1.5 4,-2.3 -5,-0.1 -1,-0.2 0.344 80.8 96.0-125.2 1.0 3.5 12.5 9.1 82 82 A L H <> S+ 0 0 68 -3,-1.5 4,-1.8 1,-0.2 -2,-0.1 0.805 85.3 51.2 -76.1 -23.7 1.2 11.6 6.4 83 83 A T H > S+ 0 0 96 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.884 109.7 50.8 -75.8 -40.6 3.8 9.8 4.2 84 84 A L H > S+ 0 0 45 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.914 108.7 55.7 -61.0 -38.4 4.9 7.7 7.2 85 85 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.4 0.887 105.1 48.4 -59.5 -48.9 1.2 7.0 7.6 86 86 A E H X>S+ 0 0 73 -4,-1.8 4,-2.4 2,-0.2 5,-0.8 0.942 115.0 48.0 -54.7 -47.8 0.8 5.6 4.0 87 87 A L H X>S+ 0 0 61 -4,-2.6 5,-3.1 3,-0.2 4,-1.3 0.948 114.2 44.5 -60.0 -47.8 4.0 3.5 4.6 88 88 A H H <5S+ 0 0 44 -4,-3.3 6,-2.6 3,-0.2 -2,-0.2 0.910 123.3 34.8 -65.7 -39.5 2.8 2.1 8.0 89 89 A A H <5S+ 0 0 0 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.934 130.9 26.7 -73.5 -48.2 -0.8 1.4 6.9 90 90 A F H <5S+ 0 0 107 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.806 128.9 26.6 -97.8 -37.6 -0.2 0.3 3.4 91 91 A Q T < - 0 0 8 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 -0.460 23.9-133.5 -63.3 122.8 -1.5 -3.0 13.7 96 96 A P T >> S+ 0 0 31 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.793 102.0 70.8 -48.6 -33.9 -2.4 0.5 15.1 97 97 A A H >> S+ 0 0 26 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.781 87.5 65.5 -53.3 -34.6 -2.3 -1.1 18.6 98 98 A N H <> S+ 0 0 14 -3,-2.0 4,-2.1 1,-0.2 3,-0.3 0.741 88.3 67.5 -62.1 -25.4 1.5 -1.4 18.3 99 99 A F H <> S+ 0 0 24 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.2 0.855 95.4 54.3 -64.2 -38.8 2.0 2.4 18.2 100 100 A K H > + 0 0 22 -5,-0.3 3,-2.1 1,-0.1 4,-0.8 -0.306 64.4 145.1-130.7 59.1 16.1 12.2 32.3 115 115 A P G >4 S+ 0 0 39 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.845 76.1 66.9 -69.8 -49.8 14.3 11.6 35.7 116 116 A N G 34 S+ 0 0 131 1,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.839 112.0 26.3 9.8 -80.5 15.6 14.8 36.4 117 117 A D G <4 S+ 0 0 61 -3,-2.1 2,-0.9 1,-0.2 -1,-0.2 0.363 93.4 95.8-106.8 3.0 13.3 16.4 33.9 118 118 A F << + 0 0 0 -4,-0.8 -1,-0.2 -3,-0.6 141,-0.1 -0.492 48.7 168.1-108.1 61.3 10.3 14.1 33.6 119 119 A T > - 0 0 58 -2,-0.9 4,-2.4 1,-0.1 5,-0.1 -0.098 52.2-104.1 -53.5 160.6 7.8 15.7 35.9 120 120 A P H > S+ 0 0 22 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.850 124.7 54.0 -62.9 -27.9 4.2 14.4 35.8 121 121 A E H > S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.819 109.9 44.2 -73.1 -37.1 3.4 17.6 33.9 122 122 A V H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.858 110.9 56.8 -69.2 -37.5 6.1 17.0 31.2 123 123 A H H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.913 104.5 52.5 -59.6 -42.1 4.9 13.5 31.1 124 124 A V H X S+ 0 0 9 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.956 113.4 42.7 -55.7 -54.3 1.4 14.8 30.3 125 125 A S H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.916 114.5 48.9 -66.3 -47.4 2.6 16.9 27.4 126 126 A M H X S+ 0 0 6 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.941 112.2 50.1 -54.2 -44.2 5.0 14.3 26.0 127 127 A D H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.871 110.9 48.4 -70.5 -36.1 2.2 11.6 26.2 128 128 A K H X S+ 0 0 9 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.3 0.845 109.1 55.2 -67.7 -39.3 -0.3 13.9 24.4 129 129 A F H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.968 109.8 45.7 -56.0 -46.3 2.4 14.6 21.8 130 130 A L H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.837 109.0 52.7 -77.7 -27.8 2.8 10.9 21.1 131 131 A S H X S+ 0 0 38 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.822 111.2 50.2 -65.0 -31.5 -1.0 10.1 20.9 132 132 A L H X S+ 0 0 19 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.886 108.1 51.8 -66.9 -46.9 -1.1 12.9 18.4 133 133 A L H X S+ 0 0 19 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.878 114.5 42.8 -52.4 -46.7 1.7 11.3 16.6 134 134 A S H X S+ 0 0 26 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.858 111.4 54.6 -68.6 -41.1 -0.2 8.0 16.6 135 135 A W H < S+ 0 0 51 -4,-2.3 3,-0.5 2,-0.2 4,-0.4 0.939 111.4 44.3 -57.3 -48.0 -3.4 9.6 15.7 136 136 A S H >< S+ 0 0 4 -4,-3.0 3,-1.1 1,-0.2 4,-0.2 0.863 110.2 55.9 -65.3 -31.7 -1.6 11.2 12.6 137 137 A L H >< S+ 0 0 17 -4,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.753 103.0 57.2 -69.0 -26.4 0.0 7.9 11.8 138 138 A S G >< S+ 0 0 43 -4,-1.4 3,-1.9 -3,-0.5 4,-0.4 0.560 78.8 97.7 -76.1 -11.3 -3.4 6.4 11.7 139 139 A E G < S+ 0 0 23 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.2 0.775 84.2 42.6 -49.0 -38.0 -4.6 8.8 9.0 140 140 A K G < S+ 0 0 52 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.308 86.7 90.8 -99.4 8.0 -4.1 6.5 6.1 141 141 A Y < 0 0 3 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.843 360.0 360.0 -78.8 -34.5 -5.4 3.2 7.4 142 142 A R 0 0 74 -4,-0.4 -1,-0.2 -3,-0.3 325,-0.1 -0.958 360.0 360.0-158.0 360.0 -9.0 3.4 6.3 143 !* 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 0.0 144 1 B V 0 0 44 0, 0.0 2,-0.5 0, 0.0 435,-0.1 0.000 360.0 360.0 360.0 136.2 2.0 -19.1 34.0 145 2 B E - 0 0 162 0, 0.0 2,-0.3 0, 0.0 77,-0.0 -0.860 360.0-160.1-100.0 132.3 5.7 -20.2 33.9 146 3 B W - 0 0 20 -2,-0.5 2,-0.2 4,-0.0 127,-0.0 -0.751 15.4-130.5 -97.8 147.9 8.5 -17.9 35.2 147 4 B S > - 0 0 65 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.583 24.2-119.1 -86.9 162.9 12.1 -18.3 34.3 148 5 B T H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.817 120.9 56.9 -78.8 -28.7 14.6 -18.4 37.2 149 6 B A H > S+ 0 0 73 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.910 109.4 44.8 -56.5 -50.8 16.0 -15.3 35.4 150 7 B E H > S+ 0 0 17 2,-0.2 4,-4.0 3,-0.2 5,-0.3 0.969 111.7 52.5 -52.5 -64.2 12.5 -13.7 35.7 151 8 B R H X S+ 0 0 82 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.834 115.4 39.8 -35.1 -53.0 12.0 -14.8 39.3 152 9 B S H X S+ 0 0 74 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.903 114.1 53.0 -78.5 -40.9 15.3 -13.3 40.4 153 10 B A H X S+ 0 0 24 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.933 114.0 45.1 -47.1 -49.5 14.9 -10.1 38.3 154 11 B I H X S+ 0 0 2 -4,-4.0 4,-2.9 1,-0.2 -2,-0.2 0.925 114.6 47.2 -67.3 -41.3 11.5 -9.6 39.8 155 12 B A H X S+ 0 0 59 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.866 112.0 48.9 -70.1 -35.6 12.7 -10.3 43.3 156 13 B G H X 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-4,-2.5 4,-3.2 2,-0.2 3,-0.4 0.951 111.3 59.4 -62.7 -55.4 7.1 4.6 44.4 167 24 B G H X S+ 0 0 0 -4,-0.9 4,-2.3 -5,-0.3 5,-0.3 0.921 111.0 37.7 -33.6 -69.7 3.5 3.9 45.6 168 25 B P H > S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.833 119.1 52.2 -60.8 -23.4 2.5 7.5 46.3 169 26 B Q H X S+ 0 0 89 -4,-1.0 4,-1.6 -3,-0.4 -2,-0.2 0.933 109.0 45.9 -82.4 -43.8 4.4 8.6 43.3 170 27 B A H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.834 113.9 49.0 -62.6 -40.8 2.9 6.2 40.8 171 28 B L H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.917 110.7 51.3 -69.1 -42.5 -0.7 6.9 42.0 172 29 B S H X S+ 0 0 6 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.883 109.0 50.7 -56.6 -40.6 0.0 10.7 41.8 173 30 B R H X S+ 0 0 11 -4,-1.6 4,-3.3 2,-0.2 5,-0.4 0.873 108.3 51.9 -69.2 -40.2 1.3 10.3 38.2 174 31 B L H X S+ 0 0 8 -4,-1.7 4,-2.2 2,-0.2 7,-0.3 0.919 111.2 47.2 -57.8 -45.1 -1.8 8.3 37.1 175 32 B L H < S+ 0 0 0 -4,-2.3 7,-0.2 1,-0.2 -2,-0.2 0.847 118.8 41.4 -74.4 -23.4 -4.1 11.0 38.5 176 33 B I H < S+ 0 0 17 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 123.4 35.4 -82.2 -41.3 -2.1 13.7 36.8 177 34 B V H < S+ 0 0 0 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.863 132.7 28.0 -88.3 -36.3 -1.5 12.0 33.5 178 35 B Y S >< S+ 0 0 16 -4,-2.2 3,-2.1 -5,-0.4 -1,-0.3 -0.578 74.3 171.5-116.7 73.8 -4.8 10.2 33.2 179 36 B P G > + 0 0 11 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.487 65.9 75.3 -72.6 -0.8 -7.0 12.5 35.2 180 37 B W G > S+ 0 0 23 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.759 86.0 70.0 -72.8 -19.6 -10.4 10.8 34.3 181 38 B T G X S+ 0 0 3 -3,-2.1 3,-0.8 -7,-0.3 4,-0.4 0.680 79.4 77.0 -72.9 -23.3 -9.1 8.2 36.8 182 39 B Q G X S+ 0 0 15 -3,-0.9 3,-1.4 1,-0.2 -1,-0.2 0.853 80.7 68.6 -54.2 -41.5 -9.7 10.9 39.6 183 40 B R G X S+ 0 0 83 -3,-1.0 3,-1.1 -4,-0.3 -1,-0.2 0.863 93.9 56.2 -51.7 -31.9 -13.4 10.2 39.5 184 41 B H G < S+ 0 0 56 -3,-0.8 -1,-0.3 -4,-0.4 3,-0.2 0.778 114.2 40.8 -70.4 -21.8 -12.7 6.7 41.0 185 42 B F G X S+ 0 0 32 -3,-1.4 3,-1.6 -4,-0.4 -1,-0.3 -0.173 70.1 124.6-114.9 34.3 -11.0 8.4 43.9 186 43 B A T < + 0 0 76 -3,-1.1 3,-0.5 1,-0.3 -1,-0.1 0.611 67.3 70.8 -80.7 0.6 -13.3 11.4 44.5 187 44 B A T 3 S+ 0 0 90 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.606 90.5 72.6 -67.2 -12.1 -13.6 10.2 48.2 188 45 B F S < S- 0 0 28 -3,-1.6 14,-0.3 1,-0.2 2,-0.3 0.538 92.7-123.5 -85.7 -12.8 -9.9 11.4 48.4 189 46 B G + 0 0 45 -3,-0.5 2,-0.3 -4,-0.1 -1,-0.2 -0.844 66.0 16.3 134.2-177.8 -9.7 15.2 48.4 190 47 B N + 0 0 106 -2,-0.3 10,-0.1 1,-0.1 9,-0.1 -0.467 47.7 154.8 51.1 57.0 -8.4 17.6 46.7 191 48 B L + 0 0 15 -2,-0.3 6,-0.1 1,-0.1 -1,-0.1 -0.144 37.1 124.9-119.8 24.6 -7.2 16.3 43.5 192 49 B S S S- 0 0 90 1,-0.1 3,-0.1 4,-0.1 -1,-0.1 0.584 75.9 -2.7 -75.1 -11.4 -7.4 19.8 42.0 193 50 B S S >> S- 0 0 47 1,-0.1 4,-2.3 -3,-0.1 3,-0.9 -0.972 81.1 -90.0-170.8 160.4 -3.9 20.2 40.8 194 51 B P H 3> S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 124.8 52.5 -47.3 -44.6 -0.5 18.3 40.7 195 52 B A H 3> S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.811 108.8 48.0 -57.1 -39.5 0.4 19.9 44.0 196 53 B A H <> S+ 0 0 19 -3,-0.9 4,-0.9 2,-0.2 -1,-0.2 0.859 110.6 52.7 -76.1 -32.4 -2.7 18.9 45.8 197 54 B I H >< S+ 0 0 3 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.983 110.8 45.4 -66.7 -54.1 -2.3 15.4 44.5 198 55 B N H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.781 116.7 46.8 -60.6 -27.9 1.3 15.1 45.8 199 56 B G H 3< S+ 0 0 60 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.590 85.0 110.7 -90.7 -8.4 0.2 16.6 49.2 200 57 B N S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.713 92.6 52.8 -63.7 -26.8 -2.4 11.9 52.5 202 59 B K H > S+ 0 0 109 -14,-0.3 4,-2.6 2,-0.2 5,-0.1 0.861 107.5 51.3 -81.5 -36.6 -5.0 9.4 51.1 203 60 B V H > S+ 0 0 0 -15,-0.2 4,-2.5 2,-0.2 5,-0.2 0.955 114.6 44.5 -57.6 -50.5 -3.3 9.3 47.6 204 61 B A H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.897 114.3 47.8 -60.0 -48.6 -0.1 8.6 49.4 205 62 B H H X S+ 0 0 119 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.887 113.4 48.5 -60.5 -42.5 -1.6 6.0 51.7 206 63 B H H X S+ 0 0 52 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.802 104.3 58.0 -74.9 -31.2 -3.4 4.4 48.8 207 64 B G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.898 108.2 49.6 -59.4 -43.4 -0.2 4.3 46.6 208 65 B K H X S+ 0 0 100 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.926 108.5 52.2 -56.1 -44.3 1.4 2.3 49.4 209 66 B V H X S+ 0 0 75 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.889 106.7 53.5 -65.0 -42.0 -1.7 -0.0 49.4 210 67 B V H >X S+ 0 0 26 -4,-2.6 4,-1.8 2,-0.2 3,-0.5 0.940 106.6 51.2 -53.4 -48.0 -1.3 -0.6 45.7 211 68 B M H 3X S+ 0 0 4 -4,-1.9 4,-2.8 1,-0.3 -2,-0.2 0.867 106.3 57.1 -61.0 -32.6 2.3 -1.7 46.3 212 69 B G H 3X S+ 0 0 36 -4,-2.1 4,-1.6 2,-0.2 -1,-0.3 0.794 102.2 53.0 -60.9 -38.8 0.8 -4.0 48.8 213 70 B G H < S+ 0 0 32 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.969 107.0 45.3 -65.4 -54.3 5.0 -11.4 44.5 219 76 B K H 3< S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.586 121.7 39.3 -67.6 -13.5 4.6 -13.9 47.4 220 77 B N T >< S+ 0 0 74 -4,-0.6 3,-2.1 -3,-0.2 -1,-0.3 -0.146 71.0 148.2-127.6 31.8 2.1 -16.0 45.3 221 78 B M T < S+ 0 0 22 -3,-1.3 3,-0.3 1,-0.3 -2,-0.1 0.611 73.1 49.4 -51.9 -22.3 3.8 -15.8 41.8 222 79 B D T 3 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.698 121.5 33.6 -90.7 -20.6 2.6 -19.2 40.7 223 80 B N S <> S+ 0 0 93 -3,-2.1 4,-1.8 -6,-0.1 -1,-0.2 -0.394 71.4 138.2-126.7 57.7 -1.0 -18.6 41.7 224 81 B I H > + 0 0 4 -3,-0.3 4,-1.4 1,-0.2 5,-0.2 0.951 68.0 59.3 -74.0 -42.4 -1.6 -14.9 41.1 225 82 B K H 4 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.864 108.8 46.0 -53.6 -36.4 -5.1 -15.1 39.6 226 83 B A H >4 S+ 0 0 40 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.912 107.5 56.5 -77.9 -37.3 -6.3 -16.8 42.8 227 84 B A H 3< S+ 0 0 15 -4,-1.8 3,-0.2 1,-0.3 4,-0.2 0.741 111.6 44.8 -60.0 -25.2 -4.7 -14.3 45.1 228 85 B Y T 3X S+ 0 0 4 -4,-1.4 4,-3.3 -3,-0.3 5,-0.3 0.420 77.1 111.1-102.7 -1.2 -6.5 -11.5 43.4 229 86 B S H <> S+ 0 0 68 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.819 85.1 40.0 -50.7 -42.0 -9.9 -13.1 43.2 230 87 B S H > S+ 0 0 78 -4,-0.3 4,-2.7 -3,-0.2 -1,-0.3 0.894 115.2 53.5 -69.2 -44.6 -11.5 -10.6 45.7 231 88 B L H > S+ 0 0 36 -4,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 106.6 51.9 -54.1 -52.6 -9.5 -7.7 44.2 232 89 B S H X S+ 0 0 3 -4,-3.3 4,-4.1 52,-0.3 5,-0.2 0.945 111.3 48.1 -44.3 -53.7 -10.9 -8.6 40.7 233 90 B V H <>S+ 0 0 72 -4,-1.7 5,-1.0 -5,-0.3 -2,-0.2 0.891 112.6 47.8 -62.4 -42.6 -14.5 -8.6 42.1 234 91 B M H <>S+ 0 0 77 -4,-2.7 5,-2.1 3,-0.2 4,-0.3 0.891 119.5 38.2 -65.8 -39.6 -14.0 -5.3 43.8 235 92 B H H <5S+ 0 0 43 -4,-2.7 6,-2.6 50,-0.3 -2,-0.2 0.828 129.8 31.3 -80.3 -37.5 -12.4 -3.7 40.7 236 93 B S T X5S+ 0 0 16 -4,-4.1 4,-1.6 49,-0.4 -3,-0.2 0.924 129.8 27.2 -70.7 -83.9 -14.8 -5.4 38.2 237 94 B E T 45S+ 0 0 130 -5,-0.2 -3,-0.2 1,-0.2 -4,-0.1 0.543 133.6 27.1 -69.2 -13.4 -18.2 -6.0 39.9 238 95 B K T 4 - 0 0 25 -2,-0.7 3,-2.8 1,-0.2 4,-0.3 -0.540 23.5-125.3 -60.8 127.5 -12.5 -0.1 32.9 243 100 B P T >> S+ 0 0 66 0, 0.0 4,-1.2 0, 0.0 3,-1.1 0.652 104.1 74.6 -49.2 -25.5 -9.5 -2.6 32.6 244 101 B D H 3> S+ 0 0 98 1,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.822 89.3 61.8 -66.4 -23.1 -7.6 -0.2 30.4 245 102 B N H <> S+ 0 0 9 -3,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.787 93.5 58.0 -67.3 -33.4 -6.9 1.7 33.6 246 103 B F H <> S+ 0 0 19 -3,-1.1 4,-2.2 -4,-0.3 -1,-0.2 0.885 107.1 51.7 -67.5 -30.5 -5.1 -1.1 35.3 247 104 B R H X S+ 0 0 75 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.901 107.1 52.4 -67.8 -35.1 -2.7 -0.9 32.3 248 105 B L H X S+ 0 0 19 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.895 111.3 45.7 -70.8 -42.3 -2.3 2.8 32.8 249 106 B L H X S+ 0 0 32 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.874 110.9 51.7 -64.2 -50.3 -1.3 2.4 36.4 250 107 B A H X S+ 0 0 5 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.906 111.3 50.2 -50.4 -46.0 1.1 -0.5 35.7 251 108 B D H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.884 109.8 48.4 -61.0 -40.5 2.6 1.8 33.1 252 109 B C H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.903 111.5 51.7 -71.5 -35.7 3.0 4.7 35.6 253 110 B I H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.965 110.3 48.0 -55.7 -55.5 4.5 2.2 38.0 254 111 B T H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.925 110.0 53.0 -50.0 -48.0 7.0 1.1 35.4 255 112 B V H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.937 111.4 44.9 -58.3 -46.8 7.8 4.7 34.6 256 113 B C H X S+ 0 0 5 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.814 113.0 51.1 -69.8 -33.3 8.6 5.6 38.2 257 114 B V H >X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 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35.4-102.9 -89.4 169.6 -11.4 12.4 4.1 294 4 C D H 3> S+ 0 0 125 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.826 126.6 58.6 -65.4 -25.9 -13.8 14.3 1.8 295 5 C K H 3> S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.872 103.4 52.2 -67.9 -35.1 -15.1 10.8 0.9 296 6 C D H <> S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.889 105.7 52.4 -61.9 -46.2 -16.0 10.3 4.6 297 7 C K H X S+ 0 0 19 -4,-1.7 4,-3.7 1,-0.2 5,-0.2 0.885 110.1 50.7 -58.1 -43.7 -18.0 13.6 5.0 298 8 C D H X S+ 0 0 90 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.914 110.0 47.5 -63.1 -46.9 -20.0 12.6 2.0 299 9 C S H X S+ 0 0 19 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.936 118.0 42.7 -63.5 -43.3 -20.9 9.1 3.2 300 10 C I H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.909 115.0 47.5 -66.1 -50.3 -21.8 10.6 6.6 301 11 C K H X S+ 0 0 90 -4,-3.7 4,-2.1 -5,-0.2 -2,-0.2 0.938 117.6 46.4 -57.0 -39.8 -23.8 13.6 5.3 302 12 C A H X S+ 0 0 49 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.951 113.3 45.8 -69.0 -47.5 -25.4 11.2 3.0 303 13 C F H X S+ 0 0 10 -4,-3.2 4,-1.5 -5,-0.2 -1,-0.2 0.870 110.5 54.4 -64.4 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6.4 18.5 314 24 C I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.915 114.9 43.5 -64.6 -38.9 -31.3 5.8 17.3 315 25 C G H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.934 115.1 46.9 -73.9 -43.9 -30.4 7.8 20.4 316 26 C A H X S+ 0 0 18 -4,-2.9 4,-2.4 2,-0.2 26,-0.2 0.963 116.6 44.2 -59.2 -49.7 -32.9 6.2 22.7 317 27 C D H X S+ 0 0 43 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.936 115.5 47.8 -67.5 -43.0 -31.9 2.7 21.5 318 28 C A H X S+ 0 0 2 -4,-2.7 4,-3.1 -5,-0.2 -1,-0.2 0.935 113.7 46.2 -61.7 -47.7 -28.1 3.4 21.7 319 29 C L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 114.6 45.9 -67.0 -45.8 -28.2 4.9 25.2 320 30 C A H X S+ 0 0 2 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.856 112.0 49.8 -79.7 -19.4 -30.3 2.3 26.7 321 31 C R H X>S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 5,-0.5 0.897 109.2 54.4 -71.0 -34.7 -28.4 -0.6 25.2 322 32 C M H X5S+ 0 0 8 -4,-3.1 4,-2.8 -5,-0.3 7,-0.3 0.977 108.7 49.0 -55.5 -52.6 -25.3 1.1 26.5 323 33 C L H <5S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.851 121.1 32.4 -60.1 -39.7 -26.8 1.2 30.0 324 34 C T H <5S+ 0 0 18 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.895 122.3 44.7 -85.8 -40.0 -27.9 -2.4 30.1 325 35 C V H <5S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.832 127.6 29.8 -75.9 -24.4 -25.1 -4.1 28.0 326 36 C Y S >< S+ 0 0 51 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.580 70.2 80.7 -65.2 -18.5 -23.5 -1.5 33.2 328 38 C Q G 3 S+ 0 0 37 1,-0.3 3,-0.4 2,-0.2 4,-0.1 0.705 88.5 57.6 -50.6 -28.9 -20.3 0.1 34.1 329 39 C T G X S+ 0 0 1 -3,-2.5 3,-1.6 -7,-0.3 4,-0.4 0.631 83.9 82.1 -81.0 -12.2 -21.7 3.2 32.3 330 40 C K G X S+ 0 0 85 -3,-1.6 3,-1.4 1,-0.3 4,-0.3 0.816 75.5 72.5 -67.3 -26.3 -24.7 3.3 34.7 331 41 C T G 3 S+ 0 0 72 -3,-0.4 3,-0.4 -4,-0.4 -1,-0.3 0.702 90.0 59.5 -60.8 -20.3 -22.8 5.2 37.3 332 42 C Y G < S+ 0 0 36 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.667 112.7 36.9 -83.1 -19.7 -22.7 8.4 35.2 333 43 C F S X S+ 0 0 32 -3,-1.4 3,-2.8 -4,-0.4 -1,-0.2 0.108 75.6 124.1-119.0 11.8 -26.5 8.7 35.1 334 44 C S T 3 + 0 0 96 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.731 68.6 65.4 -47.4 -28.9 -27.2 7.4 38.7 335 45 C H T 3 S+ 0 0 116 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.3 0.297 81.4 100.6 -77.9 4.4 -29.1 10.7 39.4 336 46 C W S < S- 0 0 44 -3,-2.8 3,-0.1 1,-0.1 -3,-0.0 -0.693 75.0-132.8 -89.4 157.0 -31.8 9.7 36.8 337 47 C K S S+ 0 0 186 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.967 91.2 18.0 -72.0 -50.8 -35.1 8.3 38.0 338 48 C D + 0 0 66 1,-0.1 8,-0.2 2,-0.1 -1,-0.2 -0.955 52.3 176.0-127.3 135.5 -35.2 5.5 35.5 339 49 C L + 0 0 32 -2,-0.4 3,-0.1 -3,-0.1 -16,-0.1 0.327 47.5 117.7-111.9 -2.3 -32.2 4.0 33.5 340 50 C S S > S- 0 0 57 1,-0.2 3,-2.1 2,-0.1 6,-0.3 -0.293 79.2 -84.9 -68.6 152.3 -34.2 1.1 31.9 341 51 C P T 3 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.252 114.8 16.2 -52.2 139.8 -34.5 1.0 28.1 342 52 C G T 3 S+ 0 0 50 1,-0.3 -2,-0.1 -26,-0.2 -25,-0.1 0.289 91.2 138.9 85.2 -13.0 -37.4 3.0 26.9 343 53 C S <> - 0 0 11 -3,-2.1 4,-2.3 1,-0.1 -1,-0.3 -0.123 66.5-106.7 -62.1 166.7 -37.8 5.0 30.1 344 54 C A H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 117.2 46.9 -67.4 -53.7 -38.4 8.7 29.9 345 55 C P H > S+ 0 0 31 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.904 113.1 53.1 -57.2 -38.7 -34.9 10.0 30.9 346 56 C V H > S+ 0 0 0 -6,-0.3 4,-2.4 -8,-0.2 -2,-0.2 0.925 112.3 43.8 -58.2 -49.1 -33.4 7.5 28.5 347 57 C K H X S+ 0 0 99 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.897 115.9 47.8 -64.1 -40.5 -35.5 8.7 25.6 348 58 C K H X S+ 0 0 106 -4,-2.7 4,-1.4 2,-0.2 3,-0.3 0.959 113.4 45.5 -69.7 -49.1 -35.0 12.3 26.5 349 59 C H H X S+ 0 0 59 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.871 108.7 58.0 -62.3 -34.5 -31.3 12.1 26.8 350 60 C G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.823 102.7 52.1 -62.6 -35.3 -30.9 10.0 23.5 351 61 C K H X S+ 0 0 114 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.912 109.9 52.8 -65.3 -38.2 -32.5 12.7 21.5 352 62 C T H X S+ 0 0 81 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.929 107.8 48.3 -61.5 -48.1 -29.9 15.0 23.1 353 63 C V H X S+ 0 0 29 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.943 115.9 45.7 -56.1 -50.3 -26.9 12.9 22.1 354 64 C M H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.3 -1,-0.2 0.756 107.4 54.3 -72.8 -27.5 -28.2 12.6 18.6 355 65 C G H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 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