==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-AUG-97 2ATJ . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR A.HENRIKSEN,D.J.SCHULLER,M.GAJHEDE . 616 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 64.9 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 . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.6 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 . 26 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 6 4 2 2 0 0 2 2 6 0 0 0 0 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 . 6 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A M 0 0 141 0, 0.0 2,-0.2 0, 0.0 292,-0.0 0.000 360.0 360.0 360.0 160.3 -17.2 1.0 5.5 2 1 A Q - 0 0 161 1,-0.1 2,-0.2 290,-0.0 120,-0.1 -0.506 360.0-110.0 -80.3 149.2 -16.1 -1.9 7.7 3 2 A L - 0 0 19 -2,-0.2 120,-0.2 118,-0.1 -1,-0.1 -0.518 36.8-167.3 -76.7 146.4 -12.5 -2.4 8.6 4 3 A T B > -A 122 0A 46 118,-2.4 118,-1.6 -2,-0.2 3,-1.6 -1.000 29.8-135.9-139.4 140.3 -10.8 -5.4 6.9 5 4 A P T 3 S+ 0 0 44 0, 0.0 3,-0.3 0, 0.0 115,-0.1 0.668 105.7 60.0 -66.3 -15.1 -7.5 -7.2 7.6 6 5 A T T > + 0 0 72 1,-0.2 3,-1.9 116,-0.1 4,-0.4 0.397 68.3 114.8 -93.8 1.9 -7.0 -7.4 3.8 7 6 A F T < S+ 0 0 85 -3,-1.6 4,-0.4 1,-0.3 3,-0.2 0.755 86.6 28.4 -43.0 -41.0 -7.0 -3.6 3.2 8 7 A Y T 3> S+ 0 0 4 -3,-0.3 4,-2.6 1,-0.1 -1,-0.3 0.305 84.7 110.4-107.9 9.7 -3.4 -3.3 2.1 9 8 A D T <4 S+ 0 0 62 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.767 96.3 23.8 -55.9 -25.9 -3.0 -6.8 0.6 10 9 A N T 4 S+ 0 0 162 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.791 128.0 44.0-105.9 -41.5 -2.8 -5.2 -2.9 11 10 A S T 4 S+ 0 0 63 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.768 137.8 0.4 -77.4 -29.8 -1.7 -1.6 -2.2 12 11 A a >< + 0 0 0 -4,-2.6 3,-1.8 83,-0.1 4,-0.3 -0.331 68.2 171.0-160.1 66.4 1.1 -2.3 0.3 13 12 A P T 3 S+ 0 0 84 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.722 78.7 48.5 -52.4 -30.0 1.4 -6.1 0.9 14 13 A N T 3> S+ 0 0 77 1,-0.2 4,-2.1 2,-0.1 3,-0.2 0.269 73.2 106.9-100.3 12.8 4.6 -5.9 3.0 15 14 A V H <> S+ 0 0 7 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.898 79.8 55.8 -56.3 -39.5 3.6 -3.1 5.4 16 15 A S H > S+ 0 0 42 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.903 108.6 45.7 -59.0 -44.9 3.3 -5.7 8.1 17 16 A N H > S+ 0 0 83 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 109.8 54.3 -68.9 -34.7 6.9 -6.9 7.6 18 17 A I H X S+ 0 0 31 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.912 111.0 46.7 -65.9 -41.7 8.3 -3.4 7.5 19 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.953 113.0 48.4 -64.5 -49.5 6.6 -2.7 10.9 20 19 A R H X S+ 0 0 77 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.919 109.5 52.1 -57.1 -47.3 7.9 -5.9 12.4 21 20 A D H X S+ 0 0 75 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.857 108.3 51.9 -58.8 -38.0 11.5 -5.3 11.2 22 21 A T H X S+ 0 0 21 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.931 112.6 44.2 -65.5 -46.2 11.5 -1.8 12.7 23 22 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.918 110.6 54.9 -65.8 -42.7 10.4 -3.1 16.1 24 23 A V H X S+ 0 0 36 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.927 110.7 46.2 -55.7 -45.9 12.8 -6.0 16.0 25 24 A N H X S+ 0 0 83 -4,-2.1 4,-0.5 1,-0.2 3,-0.5 0.904 114.4 47.5 -63.7 -42.5 15.7 -3.6 15.5 26 25 A E H >X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 3,-1.3 0.878 101.2 63.7 -67.5 -39.3 14.5 -1.3 18.2 27 26 A L H 3< S+ 0 0 45 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 92.1 67.7 -54.9 -31.3 13.9 -4.0 20.8 28 27 A R H 3< S+ 0 0 187 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.859 116.0 23.2 -58.4 -38.9 17.7 -4.7 20.6 29 28 A S H << S+ 0 0 70 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.663 135.3 35.3-102.0 -20.7 18.5 -1.3 22.2 30 29 A D >< - 0 0 31 -4,-2.7 3,-1.6 1,-0.1 4,-0.3 -0.779 58.3-178.2-137.2 91.2 15.1 -0.8 24.0 31 30 A P T 3 S+ 0 0 91 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.583 83.8 61.0 -63.9 -9.0 13.5 -4.0 25.4 32 31 A R T >> S+ 0 0 62 1,-0.2 4,-2.2 2,-0.1 3,-0.7 0.594 75.0 92.6 -94.0 -13.0 10.6 -1.9 26.6 33 32 A I H <> S+ 0 0 0 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.815 79.5 58.0 -52.8 -37.9 9.5 -0.5 23.2 34 33 A A H 3> S+ 0 0 4 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.916 110.0 44.4 -60.8 -42.9 6.9 -3.3 22.5 35 34 A A H <> S+ 0 0 12 -3,-0.7 4,-2.1 -4,-0.2 -2,-0.2 0.935 112.8 51.8 -65.9 -46.2 5.1 -2.4 25.7 36 35 A S H X S+ 0 0 9 -4,-2.2 4,-1.6 1,-0.2 40,-0.2 0.896 110.0 49.0 -58.2 -42.6 5.3 1.3 25.0 37 36 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.897 107.8 52.1 -66.1 -43.6 3.8 0.9 21.5 38 37 A L H X S+ 0 0 13 -4,-1.9 4,-1.8 1,-0.2 3,-0.2 0.935 110.6 50.8 -58.1 -43.7 0.9 -1.2 22.6 39 38 A R H X S+ 0 0 83 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.848 104.4 56.5 -62.6 -36.3 0.1 1.5 25.1 40 39 A L H X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.879 107.2 49.9 -62.9 -38.0 0.2 4.2 22.5 41 40 A H H X S+ 0 0 2 -4,-1.7 4,-2.6 -3,-0.2 -1,-0.2 0.891 109.5 50.8 -67.2 -41.5 -2.4 2.4 20.5 42 41 A F H X S+ 0 0 48 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.940 111.4 47.3 -61.8 -47.5 -4.7 2.0 23.5 43 42 A H H < S+ 0 0 10 -4,-2.5 4,-0.2 2,-0.2 -1,-0.2 0.712 111.9 52.1 -69.4 -19.6 -4.4 5.8 24.3 44 43 A D H >< S+ 0 0 0 -4,-1.1 3,-1.9 -5,-0.2 -2,-0.2 0.968 110.3 46.6 -75.3 -59.6 -5.1 6.5 20.6 45 44 A b H 3X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.3 -2,-0.2 0.756 105.9 58.2 -52.7 -34.9 -8.3 4.4 20.5 46 45 A F T 3< S+ 0 0 0 -4,-1.9 2,-0.6 1,-0.2 -1,-0.3 0.571 99.3 63.7 -77.4 -8.5 -9.8 5.7 23.7 47 46 A V T <4 S- 0 0 0 -3,-1.9 4,-0.3 2,-0.3 6,-0.2 -0.881 134.8 -33.9-120.7 99.6 -9.8 9.3 22.6 48 47 A N T 4 S- 0 0 68 -2,-0.6 -2,-0.1 86,-0.1 -3,-0.1 0.700 113.1 -72.3 64.6 21.0 -12.1 9.8 19.5 49 48 A G S < S- 0 0 1 -4,-0.9 2,-1.8 -5,-0.2 4,-0.3 -0.129 78.0 -43.1 86.7 172.8 -11.2 6.4 18.2 50 49 A b S S+ 0 0 0 238,-1.0 241,-0.3 235,-0.2 -5,-0.1 -0.599 85.6 129.1 -80.3 85.9 -8.1 4.9 16.7 51 50 A D S S- 0 0 0 -2,-1.8 76,-2.8 -4,-0.3 48,-0.2 0.119 78.2-110.5-125.9 15.3 -7.4 8.0 14.4 52 51 A A S > S+ 0 0 0 74,-0.2 3,-1.2 47,-0.2 4,-0.4 0.690 73.4 138.7 60.5 21.4 -3.8 8.7 15.3 53 52 A S G > + 0 0 0 -4,-0.3 3,-1.1 1,-0.3 12,-0.4 0.839 64.0 62.7 -64.6 -30.4 -4.8 11.9 17.0 54 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -14,-0.1 12,-0.1 0.713 95.1 61.6 -67.3 -20.3 -2.3 11.1 19.8 55 54 A L G < S+ 0 0 3 -3,-1.2 -1,-0.2 10,-0.1 -2,-0.2 0.647 79.2 106.3 -82.5 -14.8 0.6 11.3 17.4 56 55 A L < - 0 0 1 -3,-1.1 10,-0.4 -4,-0.4 9,-0.3 -0.417 64.9-135.4 -70.1 136.7 -0.0 15.0 16.4 57 56 A D - 0 0 11 246,-2.7 73,-0.1 1,-0.2 -1,-0.1 -0.466 40.1 -74.8 -85.7 163.0 2.4 17.6 17.8 58 57 A N + 0 0 37 -2,-0.1 2,-0.2 6,-0.1 5,-0.2 -0.223 55.1 177.7 -58.1 142.8 1.2 20.8 19.3 59 58 A T - 0 0 32 3,-2.2 5,-0.1 -3,-0.1 330,-0.1 -0.795 44.6-104.0-135.9 178.9 0.0 23.5 16.9 60 59 A T S S+ 0 0 78 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.665 119.7 50.9 -82.0 -14.8 -1.5 27.0 17.2 61 60 A S S S+ 0 0 107 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.757 122.7 7.7 -91.2 -30.1 -4.9 25.6 16.4 62 61 A F S S- 0 0 33 69,-0.0 -3,-2.2 70,-0.0 2,-0.3 -0.996 71.6-113.5-152.9 154.3 -5.0 22.8 19.0 63 62 A R - 0 0 136 -2,-0.3 69,-0.6 -5,-0.2 2,-0.1 -0.647 38.2-107.7 -90.3 145.6 -3.0 21.3 21.9 64 63 A T > - 0 0 6 -2,-0.3 3,-1.3 1,-0.1 -7,-0.1 -0.388 11.0-135.7 -72.3 145.5 -1.3 17.9 21.7 65 64 A E G > S+ 0 0 0 -12,-0.4 3,-1.7 -9,-0.3 7,-0.2 0.598 97.9 83.4 -74.0 -10.7 -2.7 14.9 23.6 66 65 A K G 3 S+ 0 0 31 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.676 86.5 56.1 -66.1 -14.7 0.9 14.3 24.5 67 66 A D G < S+ 0 0 80 -3,-1.3 -1,-0.3 5,-0.1 -2,-0.2 0.494 84.0 116.8 -94.0 -6.3 0.3 16.8 27.3 68 67 A A S X> S- 0 0 0 -3,-1.7 4,-2.9 1,-0.1 3,-2.3 -0.213 82.1 -94.8 -64.1 152.7 -2.7 15.0 28.8 69 68 A F T 34 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.2 70,-0.1 -0.568 120.8 31.0 -66.9 118.1 -2.6 13.5 32.3 70 69 A G T 34 S+ 0 0 22 -2,-0.5 -1,-0.3 2,-0.3 -2,-0.1 0.020 122.4 51.0 117.4 -26.0 -1.5 10.0 31.6 71 70 A N T X> S+ 0 0 3 -3,-2.3 4,-2.5 3,-0.2 3,-2.0 0.768 82.3 95.5-106.7 -45.4 0.6 10.8 28.5 72 71 A A T 3< S- 0 0 45 -4,-2.9 -2,-0.3 1,-0.3 -5,-0.1 -0.258 110.7 -9.3 -54.2 126.1 2.8 13.7 29.8 73 72 A N T 34 S+ 0 0 111 -7,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.856 136.0 67.2 50.8 38.6 6.2 12.3 30.9 74 73 A S T <4 S+ 0 0 17 -3,-2.0 -2,-0.2 1,-0.4 -3,-0.2 0.420 76.0 72.2-146.4 -56.7 4.7 8.8 30.5 75 74 A A < + 0 0 17 -4,-2.5 -1,-0.4 -9,-0.2 2,-0.3 -0.391 61.4 162.8 -70.3 149.6 3.9 7.9 26.9 76 75 A R + 0 0 71 -40,-0.2 -36,-0.2 -3,-0.1 -37,-0.0 -0.959 32.9 79.8-158.4 174.7 6.9 7.2 24.7 77 76 A G >> + 0 0 9 -2,-0.3 4,-1.5 -37,-0.0 3,-1.0 0.436 49.8 135.4 99.8 3.4 8.2 5.6 21.4 78 77 A F H 3> + 0 0 27 1,-0.3 4,-1.8 2,-0.2 3,-0.1 0.860 69.6 52.9 -52.8 -44.8 7.1 8.4 19.1 79 78 A P H 3> S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.804 105.9 56.0 -63.5 -27.0 10.4 8.5 17.1 80 79 A V H <> S+ 0 0 5 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.891 105.4 50.5 -70.3 -39.5 10.1 4.8 16.5 81 80 A I H X S+ 0 0 2 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.885 108.5 54.0 -63.8 -37.6 6.6 5.4 15.0 82 81 A D H X S+ 0 0 33 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.914 107.1 49.7 -62.0 -44.3 8.3 8.0 12.8 83 82 A R H X S+ 0 0 65 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.884 110.8 50.9 -61.6 -40.3 10.9 5.6 11.5 84 83 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 110.8 47.5 -61.0 -50.1 8.2 3.1 10.7 85 84 A K H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.896 110.0 52.8 -61.2 -42.8 6.2 5.6 8.8 86 85 A A H X S+ 0 0 58 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.917 110.9 47.0 -60.7 -44.0 9.3 6.8 6.8 87 86 A A H X S+ 0 0 39 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.909 114.3 46.8 -64.5 -43.2 10.1 3.2 5.8 88 87 A V H X S+ 0 0 0 -4,-2.3 4,-3.5 1,-0.2 -2,-0.2 0.872 107.6 56.6 -67.6 -38.3 6.5 2.5 4.7 89 88 A E H < S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.838 105.7 51.5 -63.9 -31.8 6.2 5.8 2.8 90 89 A S H < S+ 0 0 103 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.895 118.0 37.5 -71.1 -39.1 9.2 4.8 0.7 91 90 A A H < S+ 0 0 54 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.877 137.5 15.3 -78.6 -40.7 7.7 1.4 -0.2 92 91 A a S >X S- 0 0 9 -4,-3.5 3,-1.1 -5,-0.1 4,-0.6 -0.689 83.0-148.2-138.0 82.4 4.1 2.6 -0.5 93 92 A P T 34 S- 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.191 76.4 -10.0 -54.6 135.5 3.8 6.4 -0.8 94 93 A R T 34 S+ 0 0 173 1,-0.1 3,-0.1 2,-0.1 206,-0.1 0.827 109.1 104.4 42.5 48.1 0.6 8.0 0.7 95 94 A T T <4 + 0 0 36 -3,-1.1 2,-0.6 1,-0.2 -1,-0.1 0.737 60.8 57.9-119.7 -48.7 -1.0 4.6 1.3 96 95 A V S < S- 0 0 1 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.799 73.7-137.4 -97.6 122.4 -0.9 3.5 4.9 97 96 A S > - 0 0 0 -2,-0.6 4,-2.1 27,-0.3 201,-0.1 -0.263 18.3-122.9 -69.4 158.7 -2.5 5.8 7.5 98 97 A c H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.850 113.6 59.4 -70.1 -32.8 -0.7 6.5 10.8 99 98 A A H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.913 110.5 40.2 -60.9 -44.1 -3.9 5.1 12.6 100 99 A D H > S+ 0 0 0 24,-0.4 4,-2.6 2,-0.2 5,-0.2 0.861 112.7 56.1 -72.5 -37.2 -3.4 1.8 10.8 101 100 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.933 107.8 47.7 -60.5 -46.6 0.3 1.8 11.3 102 101 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.827 111.1 53.0 -64.0 -32.0 -0.0 2.2 15.0 103 102 A T H X S+ 0 0 4 -4,-1.1 4,-1.9 -5,-0.2 -2,-0.2 0.940 112.0 43.1 -68.9 -47.2 -2.6 -0.6 15.0 104 103 A I H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.894 112.0 55.0 -64.9 -40.1 -0.2 -3.0 13.2 105 104 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.873 107.5 50.4 -61.1 -37.6 2.7 -1.9 15.3 106 105 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.911 111.8 46.2 -67.7 -43.7 0.7 -2.8 18.5 107 106 A Q H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 3,-0.2 0.950 113.8 48.0 -64.3 -48.4 -0.2 -6.2 17.2 108 107 A Q H X S+ 0 0 20 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.874 108.7 55.7 -59.8 -37.7 3.4 -7.0 16.1 109 108 A S H X S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.881 109.3 46.4 -62.0 -40.3 4.6 -5.7 19.5 110 109 A V H <>S+ 0 0 0 -4,-1.7 5,-2.8 -3,-0.2 3,-0.2 0.931 115.5 45.6 -68.0 -46.2 2.4 -8.2 21.3 111 110 A T H ><5S+ 0 0 37 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.924 110.6 52.5 -63.8 -45.5 3.4 -11.1 19.0 112 111 A L H 3<5S+ 0 0 60 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.772 105.5 56.6 -62.6 -25.6 7.1 -10.2 19.2 113 112 A A T 3<5S- 0 0 17 -4,-1.0 117,-2.7 -3,-0.2 -1,-0.3 0.336 133.1 -90.0 -88.1 7.1 6.8 -10.3 23.0 114 113 A G T < 5S+ 0 0 46 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.489 88.0 126.5 99.7 5.3 5.5 -13.9 22.8 115 114 A G < - 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0 0 3 -76,-2.8 -1,-0.1 -2,-0.3 170,-0.1 -0.174 9.7-135.8 -67.7 161.8 -7.7 12.8 12.3 128 127 A L S S+ 0 0 98 177,-0.1 2,-0.3 1,-0.1 177,-0.1 0.420 84.2 18.5 -98.0 -2.8 -7.3 16.4 11.4 129 128 A Q S S- 0 0 93 175,-0.1 2,-0.3 -73,-0.0 -73,-0.1 -0.968 73.9-111.4-158.1 170.6 -6.8 17.5 15.0 130 129 A A - 0 0 4 -2,-0.3 2,-0.3 -67,-0.1 -67,-0.2 -0.729 18.9-143.5-105.8 158.7 -5.8 16.3 18.5 131 130 A F > + 0 0 43 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.654 28.2 161.7-128.2 78.7 -8.2 16.2 21.5 132 131 A L H > S+ 0 0 12 -69,-0.6 4,-2.3 -2,-0.3 5,-0.2 0.928 78.2 48.0 -61.1 -51.4 -6.5 17.1 24.7 133 132 A D H > S+ 0 0 137 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.897 113.9 48.8 -59.1 -40.0 -9.5 17.9 26.8 134 133 A L H >> S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 3,-0.7 0.875 109.4 52.3 -67.2 -38.4 -11.2 14.6 25.7 135 134 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.894 105.5 55.3 -64.5 -38.9 -8.0 12.7 26.5 136 135 A N H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.677 117.5 35.8 -69.0 -15.8 -8.0 14.2 30.0 137 136 A A H << S+ 0 0 76 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.709 118.7 47.2-106.8 -27.1 -11.5 12.9 30.5 138 137 A N H < S+ 0 0 21 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.792 85.5 89.9 -88.8 -31.0 -11.5 9.6 28.7 139 138 A L S < S- 0 0 16 -4,-1.8 2,-0.1 -5,-0.2 -96,-0.0 -0.521 79.3-122.5 -71.8 127.4 -8.3 7.9 29.8 140 139 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.403 23.6-136.8 -68.8 147.1 -8.8 5.7 32.9 141 140 A A > - 0 0 10 1,-0.1 3,-1.6 -2,-0.1 -71,-0.0 -0.733 16.4-119.7-103.9 154.3 -6.7 6.6 36.0 142 141 A P T 3 S+ 0 0 29 0, 0.0 105,-0.8 0, 0.0 106,-0.1 0.672 111.7 58.3 -65.4 -16.4 -5.0 4.0 38.3 143 142 A F T 3 S+ 0 0 113 103,-0.1 2,-0.1 104,-0.1 37,-0.0 0.369 79.1 119.6 -95.2 5.1 -7.0 5.2 41.3 144 143 A F < - 0 0 50 -3,-1.6 2,-0.1 1,-0.1 0, 0.0 -0.388 64.1-124.4 -67.6 147.6 -10.4 4.5 39.7 145 144 A T > - 0 0 54 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.392 33.4 -96.9 -84.0 168.8 -12.6 1.9 41.5 146 145 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 126.7 49.7 -54.9 -49.7 -13.8 -1.1 39.6 147 146 A P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 111.6 50.4 -58.2 -33.6 -17.2 0.5 38.7 148 147 A Q H > S+ 0 0 86 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.852 108.5 50.8 -72.7 -33.7 -15.3 3.5 37.5 149 148 A L H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.890 110.9 50.3 -68.8 -38.0 -13.0 1.4 35.3 150 149 A K H X S+ 0 0 33 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.893 110.1 48.9 -65.9 -41.4 -16.2 -0.3 33.9 151 150 A D H X S+ 0 0 82 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.895 107.8 55.8 -64.6 -41.2 -17.8 3.1 33.1 152 151 A S H < S+ 0 0 13 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.887 112.9 40.6 -58.7 -42.5 -14.6 4.3 31.4 153 152 A F H ><>S+ 0 0 12 -4,-1.7 5,-2.3 2,-0.2 3,-1.1 0.904 113.9 51.7 -74.6 -41.9 -14.6 1.3 29.0 154 153 A R H ><5S+ 0 0 120 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.859 98.5 68.9 -62.2 -33.8 -18.4 1.4 28.5 155 154 A N T 3<5S+ 0 0 103 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.792 106.5 38.1 -55.2 -31.4 -18.0 5.1 27.6 156 155 A V T < 5S- 0 0 22 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.229 129.4 -89.9-106.1 13.0 -16.1 4.2 24.4 157 156 A G T < 5S+ 0 0 47 -3,-1.9 2,-1.5 -4,-0.1 -3,-0.2 0.379 92.1 119.4 99.8 -6.6 -18.2 1.1 23.5 158 157 A L < + 0 0 5 -5,-2.3 -3,-0.1 1,-0.2 -1,-0.1 -0.631 29.2 154.4 -93.7 78.2 -16.3 -1.6 25.3 159 158 A N + 0 0 110 -2,-1.5 2,-0.4 -5,-0.2 -1,-0.2 0.194 35.0 97.6 -93.0 15.1 -19.2 -2.6 27.5 160 159 A R S >> S- 0 0 118 1,-0.1 4,-1.3 -7,-0.1 3,-0.7 -0.836 72.0-133.9-105.4 143.4 -18.3 -6.3 28.2 161 160 A S H 3> S+ 0 0 33 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.831 108.5 59.3 -61.3 -30.9 -16.5 -7.4 31.4 162 161 A S H 3> S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.818 97.6 59.7 -67.4 -30.7 -14.2 -9.5 29.2 163 162 A D H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.956 111.0 40.8 -60.0 -50.4 -13.1 -6.3 27.4 164 163 A L H X S+ 0 0 3 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.947 119.9 42.2 -63.3 -53.1 -11.9 -4.8 30.7 165 164 A V H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.908 118.4 45.0 -64.1 -43.5 -10.3 -8.0 32.1 166 165 A A H >< S+ 0 0 0 -4,-2.8 3,-1.2 -5,-0.2 -2,-0.2 0.931 115.0 45.5 -68.1 -47.0 -8.7 -9.1 28.8 167 166 A L H >< S+ 0 0 23 -4,-2.3 3,-1.9 -5,-0.4 -1,-0.2 0.801 101.9 66.0 -68.6 -27.5 -7.3 -5.7 27.8 168 167 A S G >< S+ 0 0 21 -4,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.729 83.3 80.0 -64.7 -18.3 -6.0 -5.1 31.4 169 168 A G G X + 0 0 0 -3,-1.2 3,-1.2 -4,-0.4 -1,-0.3 0.526 65.3 87.0 -66.0 -5.2 -3.7 -8.1 30.5 170 169 A G G X S+ 0 0 13 -3,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.660 73.8 73.5 -67.8 -13.5 -1.6 -5.6 28.6 171 170 A H G < + 0 0 55 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.103 63.7 99.6 -85.9 21.2 0.1 -5.1 32.0 172 171 A T G < S+ 0 0 0 -3,-1.2 57,-0.3 50,-0.1 2,-0.3 0.581 97.1 13.7 -81.2 -10.7 1.7 -8.5 31.5 173 172 A F S < S+ 0 0 9 -3,-0.9 55,-0.2 55,-0.1 2,-0.1 -0.890 94.7 62.8-148.5 177.8 4.8 -6.5 30.5 174 173 A G S S- 0 0 12 53,-1.0 48,-2.0 -2,-0.3 49,-0.4 -0.241 70.4 -78.2 94.2 177.0 6.0 -2.9 30.6 175 174 A K E -C 221 0C 80 46,-0.2 2,-0.3 -143,-0.1 46,-0.2 -0.807 24.6-157.6-122.7 162.0 6.9 -0.5 33.4 176 175 A N E -C 220 0C 13 44,-2.3 44,-2.6 -2,-0.3 2,-0.2 -0.998 25.4-116.3-138.4 137.6 5.1 1.8 35.9 177 176 A Q E > -C 219 0C 22 -2,-0.3 3,-1.7 42,-0.2 4,-0.3 -0.469 22.1-121.7 -76.3 145.4 6.5 4.8 37.8 178 177 A d G >> S+ 0 0 1 40,-2.4 3,-2.5 1,-0.3 4,-0.8 0.862 106.3 71.9 -49.9 -40.9 6.7 4.8 41.6 179 178 A R G 34 S+ 0 0 104 37,-2.3 3,-0.3 1,-0.3 4,-0.3 0.758 90.6 57.8 -49.7 -31.5 4.5 7.8 41.8 180 179 A F G <4 S+ 0 0 54 -3,-1.7 66,-0.3 36,-0.2 -1,-0.3 0.513 114.3 35.1 -82.5 -3.0 1.4 5.8 40.8 181 180 A I T <> S+ 0 0 0 -3,-2.5 4,-1.6 -4,-0.3 -1,-0.2 0.330 82.3 104.2-128.4 5.3 1.6 3.4 43.7 182 181 A M H X>S+ 0 0 30 -4,-0.8 4,-2.3 -3,-0.3 5,-0.5 0.871 83.2 51.0 -56.6 -39.3 3.0 5.6 46.5 183 182 A D H >5S+ 0 0 60 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.905 107.5 52.0 -65.8 -41.5 -0.5 5.7 48.1 184 183 A R H 45S+ 0 0 0 1,-0.2 11,-2.8 10,-0.2 -1,-0.2 0.817 115.4 44.7 -63.1 -29.6 -0.9 2.0 48.1 185 184 A L H <5S+ 0 0 0 -4,-1.6 -2,-0.2 9,-0.2 -1,-0.2 0.846 133.7 4.7 -84.8 -38.3 2.5 1.7 49.7 186 185 A Y H <5S+ 0 0 49 -4,-2.3 -3,-0.2 7,-0.2 -2,-0.1 0.666 133.4 13.7-124.6 -23.2 2.4 4.3 52.5 187 186 A N ><< - 0 0 74 -4,-1.2 3,-0.7 -5,-0.5 2,-0.4 -0.475 63.7-173.9-160.7 81.2 -1.0 6.0 52.8 188 187 A F G > S- 0 0 30 5,-2.9 3,-1.5 1,-0.2 5,-0.4 -0.655 73.4 -11.2 -85.1 128.6 -4.0 4.5 51.0 189 188 A S G 3 S- 0 0 84 -2,-0.4 -1,-0.2 1,-0.3 -5,-0.0 0.840 122.0 -63.9 54.4 39.5 -7.3 6.4 51.0 190 189 A N G < S+ 0 0 156 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.1 0.752 111.2 119.4 59.5 25.1 -6.1 8.9 53.7 191 190 A T S < S- 0 0 82 -3,-1.5 -2,-0.1 2,-0.3 -1,-0.1 0.608 75.3-129.7 -94.3 -15.3 -5.8 6.0 56.1 192 191 A G S S+ 0 0 48 1,-0.3 -3,-0.1 -9,-0.1 -5,-0.1 0.483 79.5 93.6 78.9 0.9 -2.1 6.4 56.8 193 192 A L S S- 0 0 114 -5,-0.4 -5,-2.9 1,-0.1 -2,-0.3 -0.873 82.1 -96.8-123.7 157.1 -1.7 2.6 56.1 194 193 A P - 0 0 36 0, 0.0 -9,-0.2 0, 0.0 -10,-0.2 -0.139 56.4 -74.3 -67.8 168.6 -0.9 0.7 52.9 195 194 A D > - 0 0 11 -11,-2.8 3,-1.8 1,-0.2 -11,-0.0 -0.480 37.9-145.4 -63.9 121.3 -3.5 -0.9 50.7 196 195 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.617 96.1 63.7 -66.5 -9.9 -4.8 -4.0 52.5 197 196 A T T 3 S+ 0 0 37 2,-0.1 2,-0.5 -13,-0.0 46,-0.3 0.362 82.1 95.3 -94.9 5.4 -5.1 -5.8 49.1 198 197 A L S < S- 0 0 7 -3,-1.8 44,-0.2 -14,-0.1 43,-0.1 -0.868 88.7-108.4-100.2 124.4 -1.4 -5.7 48.5 199 198 A N > - 0 0 37 42,-3.1 4,-2.6 -2,-0.5 5,-0.2 -0.255 25.6-135.4 -49.6 127.1 0.5 -8.8 49.5 200 199 A T H > S+ 0 0 105 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.834 102.7 48.0 -59.3 -38.1 2.6 -7.9 52.5 201 200 A T H > S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.925 114.1 47.6 -70.0 -40.5 5.8 -9.5 51.4 202 201 A Y H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 104.5 62.1 -64.4 -37.5 5.5 -7.8 48.0 203 202 A L H X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.848 102.1 51.4 -56.2 -36.1 4.8 -4.6 49.8 204 203 A Q H X S+ 0 0 115 -4,-1.1 4,-1.1 -3,-0.4 -1,-0.2 0.898 110.0 48.1 -69.4 -41.3 8.3 -4.8 51.3 205 204 A T H X S+ 0 0 84 -4,-1.4 4,-1.4 1,-0.2 3,-0.3 0.927 113.7 47.5 -64.8 -44.1 9.9 -5.3 47.9 206 205 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.878 107.3 55.3 -66.1 -38.1 7.9 -2.4 46.4 207 206 A R H < S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 106.3 53.6 -65.4 -25.6 8.8 -0.1 49.3 208 207 A G H < S+ 0 0 59 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.854 112.8 42.1 -75.7 -34.6 12.4 -0.8 48.6 209 208 A L H < S+ 0 0 88 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.812 124.9 36.4 -79.3 -32.1 12.0 0.2 45.0 210 209 A d S < S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.631 81.4-170.0-124.5 73.9 9.9 3.2 45.8 211 210 A P > - 0 0 60 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.239 36.4-106.6 -63.2 150.6 11.2 4.8 49.1 212 211 A L T 3 S+ 0 0 104 1,-0.3 -26,-0.0 -5,-0.1 4,-0.0 0.829 119.6 25.8 -45.9 -44.7 9.1 7.5 50.8 213 212 A N T 3 S+ 0 0 158 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.149 105.8 111.3-109.1 20.0 11.5 10.3 49.8 214 213 A G S < S- 0 0 35 -3,-2.1 2,-0.7 1,-0.2 -4,-0.1 0.131 81.6 -55.7 -79.5-164.6 12.9 8.6 46.7 215 214 A N > - 0 0 101 1,-0.2 3,-1.5 2,-0.1 -37,-0.3 -0.671 39.2-161.4 -80.2 112.7 12.6 9.1 43.0 216 215 A L T 3 S+ 0 0 69 -2,-0.7 -37,-2.3 1,-0.3 -36,-0.2 0.619 90.3 59.0 -69.7 -12.3 9.0 9.2 42.0 217 216 A S T 3 S+ 0 0 51 -39,-0.2 -1,-0.3 -40,-0.2 -2,-0.1 0.445 75.5 121.9 -96.1 -2.0 10.0 8.5 38.4 218 217 A A < - 0 0 31 -3,-1.5 -40,-2.4 -41,-0.1 2,-0.3 -0.338 62.4-123.7 -60.6 143.2 11.8 5.3 39.2 219 218 A L E -C 177 0C 74 -42,-0.2 2,-0.3 -41,-0.1 -42,-0.2 -0.726 24.2-170.1 -99.5 142.3 10.3 2.4 37.2 220 219 A V E -C 176 0C 7 -44,-2.6 -44,-2.3 -2,-0.3 2,-0.2 -0.958 31.1-106.4-127.0 143.9 8.8 -0.9 38.5 221 220 A D E -C 175 0C 48 -2,-0.3 -46,-0.2 -46,-0.2 3,-0.2 -0.505 16.8-146.6 -71.9 135.1 7.9 -4.0 36.4 222 221 A F S S+ 0 0 22 -48,-2.0 2,-0.6 1,-0.2 22,-0.5 0.875 92.3 42.2 -66.7 -38.8 4.1 -4.5 36.0 223 222 A D - 0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.920 65.5-169.5-116.0 107.2 4.5 -8.2 36.1 224 223 A L S S+ 0 0 65 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.652 85.1 53.5 -69.2 -15.2 7.0 -9.6 38.6 225 224 A R S S+ 0 0 98 1,-0.2 -1,-0.2 8,-0.1 -53,-0.0 0.954 130.8 2.8 -84.2 -58.1 6.9 -13.1 37.1 226 225 A T S > S- 0 0 30 -54,-0.2 3,-0.9 3,-0.1 -1,-0.2 -0.696 71.0-176.8-131.6 80.3 7.7 -12.4 33.4 227 226 A P T 3 S+ 0 0 38 0, 0.0 -53,-1.0 0, 0.0 -5,-0.2 0.710 83.3 24.9 -48.2 -32.5 8.4 -8.7 33.2 228 227 A T T 3 S+ 0 0 90 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.397 101.0 93.7-118.7 0.9 9.0 -8.6 29.4 229 228 A I S < S- 0 0 79 -3,-0.9 2,-1.1 -57,-0.3 -115,-0.2 -0.836 70.9-131.8-101.0 130.2 7.0 -11.7 28.2 230 229 A F + 0 0 2 -117,-2.7 2,-0.2 -2,-0.5 -57,-0.1 -0.670 60.0 118.1 -80.1 102.7 3.4 -11.3 27.0 231 230 A D S > S- 0 0 21 -2,-1.1 3,-0.6 -5,-0.2 -116,-0.1 -0.831 78.3 -86.6-149.2-173.9 1.7 -14.1 28.8 232 231 A N T >> S+ 0 0 9 -2,-0.2 3,-1.2 1,-0.2 4,-0.9 0.321 89.9 105.9 -88.1 11.0 -1.1 -14.8 31.3 233 232 A K H 3> + 0 0 78 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.779 66.4 72.8 -60.2 -26.5 1.2 -14.4 34.4 234 233 A Y H <> S+ 0 0 3 -3,-0.6 4,-1.2 1,-0.2 -1,-0.3 0.898 98.2 47.3 -54.0 -41.8 -0.4 -11.0 35.0 235 234 A Y H <> S+ 0 0 0 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.829 105.5 57.2 -71.7 -32.7 -3.6 -12.8 36.2 236 235 A V H X S+ 0 0 26 -4,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.909 104.5 54.1 -64.0 -39.9 -1.7 -15.3 38.5 237 236 A N H ><>S+ 0 0 2 -4,-2.0 5,-3.0 1,-0.2 3,-0.7 0.881 103.5 55.6 -60.3 -40.6 -0.2 -12.2 40.3 238 237 A L H ><5S+ 0 0 0 -4,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.897 102.4 56.0 -60.5 -40.7 -3.8 -10.9 40.9 239 238 A E H 3<5S+ 0 0 47 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 109.8 46.5 -63.1 -25.6 -4.8 -14.2 42.6 240 239 A E T <<5S- 0 0 63 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.228 119.7-109.7-100.1 12.5 -1.8 -13.7 45.0 241 240 A Q T < 5S+ 0 0 74 -3,-1.8 -42,-3.1 -5,-0.1 -3,-0.2 0.889 84.6 124.1 60.9 41.2 -2.7 -10.0 45.6 242 241 A K < + 0 0 40 -5,-3.0 -18,-0.3 -44,-0.2 2,-0.3 0.018 22.4 136.2-119.3 25.3 0.4 -9.0 43.7 243 242 A G - 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0 0 3 -76,-2.8 -1,-0.1 -2,-0.3 170,-0.1 -0.174 9.7-135.8 -67.7 161.8 25.7 16.9 12.4 437 127 B L S S+ 0 0 98 177,-0.1 2,-0.3 1,-0.1 177,-0.1 0.421 84.2 18.5 -98.1 -2.7 25.3 13.2 11.5 438 128 B Q S S- 0 0 93 175,-0.1 2,-0.3 -73,-0.0 -73,-0.1 -0.968 73.9-111.4-158.2 170.6 24.8 12.2 15.1 439 129 B A - 0 0 4 -2,-0.3 2,-0.3 -67,-0.1 -67,-0.2 -0.729 18.9-143.6-105.8 158.8 23.9 13.4 18.7 440 130 B F > + 0 0 42 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.653 28.2 161.7-128.2 78.8 26.2 13.6 21.6 441 131 B L H > S+ 0 0 12 -69,-0.6 4,-2.3 -2,-0.3 5,-0.2 0.928 78.2 48.0 -61.2 -51.4 24.5 12.7 24.9 442 132 B D H > S+ 0 0 137 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.897 113.9 48.8 -59.2 -40.0 27.6 11.9 27.0 443 133 B L H >> S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 3,-0.7 0.875 109.4 52.3 -67.2 -38.4 29.2 15.1 25.8 444 134 B A H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.894 105.5 55.3 -64.5 -38.9 26.1 17.1 26.6 445 135 B N H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.678 117.5 35.8 -69.0 -15.8 26.1 15.6 30.1 446 136 B A H << S+ 0 0 76 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.709 118.7 47.2-106.9 -27.1 29.6 16.9 30.6 447 137 B N H < S+ 0 0 21 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.791 85.5 89.9 -88.8 -31.0 29.6 20.2 28.7 448 138 B L S < S- 0 0 16 -4,-1.8 2,-0.1 -5,-0.2 -96,-0.0 -0.522 79.3-122.5 -71.8 127.5 26.4 21.9 29.9 449 139 B P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.403 23.6-136.8 -68.7 147.1 27.0 24.1 33.0 450 140 B A > - 0 0 10 1,-0.1 3,-1.6 -2,-0.1 -71,-0.0 -0.733 16.4-119.7-103.9 154.3 24.9 23.3 36.0 451 141 B P T 3 S+ 0 0 29 0, 0.0 105,-0.8 0, 0.0 106,-0.1 0.672 111.7 58.3 -65.4 -16.4 23.1 25.8 38.3 452 142 B F T 3 S+ 0 0 112 103,-0.1 2,-0.1 104,-0.1 37,-0.0 0.369 79.1 119.6 -95.2 5.0 25.1 24.6 41.3 453 143 B F < - 0 0 50 -3,-1.6 2,-0.1 1,-0.1 0, 0.0 -0.388 64.1-124.4 -67.6 147.6 28.5 25.4 39.7 454 144 B T > - 0 0 54 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.391 33.4 -96.9 -84.0 168.8 30.8 27.9 41.5 455 145 B L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 126.7 49.7 -54.9 -49.7 32.0 31.0 39.6 456 146 B P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 111.6 50.4 -58.3 -33.6 35.4 29.3 38.7 457 147 B Q H > S+ 0 0 86 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.851 108.5 50.8 -72.7 -33.7 33.4 26.3 37.5 458 148 B L H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.890 110.9 50.3 -68.8 -37.9 31.2 28.4 35.3 459 149 B K H X S+ 0 0 33 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.892 110.0 48.9 -65.8 -41.5 34.3 30.0 33.9 460 150 B D H X S+ 0 0 82 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.895 107.8 55.8 -64.5 -41.2 35.9 26.6 33.2 461 151 B S H < S+ 0 0 13 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.887 112.9 40.6 -58.6 -42.5 32.7 25.5 31.5 462 152 B F H ><>S+ 0 0 12 -4,-1.7 5,-2.2 2,-0.2 3,-1.1 0.904 113.9 51.7 -74.7 -41.9 32.7 28.4 29.1 463 153 B R H ><5S+ 0 0 120 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.858 98.5 68.9 -62.2 -33.8 36.5 28.3 28.5 464 154 B N T 3<5S+ 0 0 102 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.792 106.5 38.1 -55.2 -31.5 36.1 24.6 27.7 465 155 B V T < 5S- 0 0 22 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.229 129.4 -89.9-106.0 12.9 34.2 25.5 24.5 466 156 B G T < 5S+ 0 0 48 -3,-1.9 2,-1.5 -4,-0.1 -3,-0.2 0.378 92.1 119.4 99.8 -6.6 36.3 28.5 23.5 467 157 B L < + 0 0 5 -5,-2.2 -3,-0.1 1,-0.2 -1,-0.1 -0.631 29.2 154.4 -93.7 78.2 34.4 31.3 25.3 468 158 B N + 0 0 110 -2,-1.5 2,-0.4 -5,-0.2 -1,-0.2 0.194 35.0 97.7 -93.1 15.1 37.4 32.3 27.5 469 159 B R S >> S- 0 0 119 1,-0.1 4,-1.3 -7,-0.1 3,-0.7 -0.836 72.0-133.9-105.4 143.4 36.5 36.0 28.2 470 160 B S H 3> S+ 0 0 34 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.831 108.5 59.3 -61.3 -30.9 34.7 37.1 31.4 471 161 B S H 3> S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.818 97.6 59.8 -67.4 -30.7 32.4 39.2 29.2 472 162 B D H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.956 111.0 40.8 -59.9 -50.5 31.3 36.0 27.4 473 163 B L H X S+ 0 0 3 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.947 119.9 42.2 -63.3 -53.1 30.1 34.6 30.7 474 164 B V H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.908 118.4 45.0 -64.2 -43.4 28.5 37.8 32.1 475 165 B A H >< S+ 0 0 0 -4,-2.8 3,-1.2 -5,-0.2 -2,-0.2 0.930 115.1 45.5 -68.1 -47.0 26.9 38.9 28.8 476 166 B L H >< S+ 0 0 23 -4,-2.3 3,-1.9 -5,-0.4 -1,-0.2 0.801 101.9 66.0 -68.6 -27.5 25.5 35.5 27.8 477 167 B S G >< S+ 0 0 21 -4,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.730 83.4 80.0 -64.6 -18.3 24.2 34.9 31.3 478 168 B G G X + 0 0 0 -3,-1.2 3,-1.2 -4,-0.4 -1,-0.3 0.525 65.3 87.0 -66.0 -5.2 21.9 37.9 30.5 479 169 B G G X S+ 0 0 13 -3,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.660 73.7 73.5 -67.8 -13.5 19.7 35.4 28.6 480 170 B H G < + 0 0 54 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.103 63.7 99.6 -86.0 21.2 18.1 34.9 32.0 481 171 B T G < S+ 0 0 0 -3,-1.2 57,-0.3 50,-0.1 2,-0.3 0.581 97.1 13.7 -81.2 -10.8 16.5 38.3 31.5 482 172 B F S < S+ 0 0 9 -3,-0.9 55,-0.2 55,-0.1 2,-0.1 -0.890 94.7 62.8-148.5 177.8 13.4 36.3 30.5 483 173 B G S S- 0 0 12 53,-1.0 48,-2.0 -2,-0.3 49,-0.4 -0.241 70.3 -78.2 94.2 177.0 12.1 32.8 30.6 484 174 B K E -G 530 0G 80 46,-0.2 2,-0.3 -143,-0.1 46,-0.2 -0.807 24.6-157.7-122.7 162.0 11.3 30.4 33.5 485 175 B N E -G 529 0G 13 44,-2.4 44,-2.6 -2,-0.3 2,-0.2 -0.998 25.4-116.3-138.4 137.6 13.0 28.1 36.0 486 176 B Q E > -G 528 0G 21 -2,-0.3 3,-1.7 42,-0.2 4,-0.3 -0.469 22.1-121.7 -76.3 145.4 11.7 25.1 37.9 487 177 B h G >> S+ 0 0 1 40,-2.4 3,-2.5 1,-0.3 4,-0.8 0.862 106.3 71.9 -49.9 -41.0 11.4 25.2 41.7 488 178 B R G 34 S+ 0 0 104 37,-2.3 3,-0.3 1,-0.3 4,-0.3 0.759 90.6 57.8 -49.7 -31.6 13.7 22.1 41.9 489 179 B F G <4 S+ 0 0 55 -3,-1.7 66,-0.3 36,-0.2 -1,-0.3 0.513 114.3 35.1 -82.6 -2.9 16.7 24.1 40.9 490 180 B I T <> S+ 0 0 0 -3,-2.5 4,-1.6 -4,-0.3 -1,-0.2 0.330 82.3 104.2-128.4 5.3 16.5 26.6 43.7 491 181 B M H X>S+ 0 0 30 -4,-0.8 4,-2.3 -3,-0.3 5,-0.5 0.872 83.2 51.0 -56.5 -39.3 15.2 24.4 46.6 492 182 B D H >5S+ 0 0 59 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.905 107.5 52.0 -65.8 -41.5 18.6 24.2 48.2 493 183 B R H 45S+ 0 0 1 1,-0.2 11,-2.8 10,-0.2 -1,-0.2 0.817 115.4 44.7 -63.0 -29.6 19.1 28.0 48.1 494 184 B L H <5S+ 0 0 0 -4,-1.6 -2,-0.2 9,-0.2 -1,-0.2 0.846 133.7 4.7 -84.7 -38.3 15.7 28.3 49.8 495 185 B Y H <5S+ 0 0 49 -4,-2.3 -3,-0.2 7,-0.2 -2,-0.1 0.666 133.4 13.7-124.6 -23.2 15.8 25.7 52.6 496 186 B N ><< - 0 0 74 -4,-1.2 3,-0.7 -5,-0.5 2,-0.4 -0.475 63.7-173.9-160.7 81.2 19.2 24.0 52.9 497 187 B F G > S- 0 0 30 5,-2.9 3,-1.5 1,-0.2 5,-0.4 -0.655 73.4 -11.2 -85.2 128.6 22.2 25.5 51.1 498 188 B S G 3 S- 0 0 83 -2,-0.4 -1,-0.2 1,-0.3 -5,-0.0 0.840 122.0 -63.9 54.5 39.5 25.5 23.6 51.1 499 189 B N G < S+ 0 0 155 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.1 0.752 111.2 119.4 59.4 25.1 24.3 21.1 53.7 500 190 B T S < S- 0 0 81 -3,-1.5 -2,-0.1 2,-0.3 -1,-0.1 0.608 75.3-129.7 -94.3 -15.3 24.0 24.0 56.2 501 191 B G S S+ 0 0 48 1,-0.3 -3,-0.1 -9,-0.1 -5,-0.1 0.482 79.5 93.6 78.9 1.0 20.3 23.7 56.9 502 192 B L S S- 0 0 114 -5,-0.4 -5,-2.9 1,-0.1 -2,-0.3 -0.872 82.1 -96.8-123.7 157.2 19.9 27.4 56.2 503 193 B P - 0 0 36 0, 0.0 -9,-0.2 0, 0.0 -10,-0.2 -0.138 56.4 -74.3 -67.8 168.6 19.1 29.3 53.0 504 194 B D > - 0 0 11 -11,-2.8 3,-1.8 1,-0.2 -11,-0.0 -0.481 37.9-145.4 -63.8 121.3 21.7 30.9 50.7 505 195 B P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.617 96.1 63.6 -66.4 -9.9 23.0 34.0 52.5 506 196 B T T 3 S+ 0 0 36 2,-0.1 2,-0.5 -13,-0.0 46,-0.3 0.362 82.1 95.3 -95.0 5.5 23.4 35.7 49.1 507 197 B L S < S- 0 0 8 -3,-1.8 44,-0.2 -14,-0.1 43,-0.1 -0.868 88.7-108.4-100.3 124.4 19.6 35.6 48.5 508 198 B N > - 0 0 37 42,-3.1 4,-2.6 -2,-0.5 5,-0.2 -0.256 25.6-135.4 -49.6 127.1 17.7 38.8 49.4 509 199 B T H > S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.833 102.7 48.0 -59.3 -38.1 15.6 37.9 52.5 510 200 B T H > S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.925 114.1 47.6 -70.1 -40.5 12.4 39.6 51.3 511 201 B Y H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 104.5 62.1 -64.4 -37.5 12.8 37.8 48.0 512 202 B L H X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.848 102.1 51.4 -56.2 -36.1 13.5 34.6 49.8 513 203 B Q H X S+ 0 0 115 -4,-1.1 4,-1.1 -3,-0.4 -1,-0.2 0.899 110.0 48.1 -69.4 -41.3 10.0 34.8 51.3 514 204 B T H X S+ 0 0 83 -4,-1.4 4,-1.4 1,-0.2 3,-0.3 0.927 113.7 47.5 -64.8 -44.1 8.4 35.3 47.9 515 205 B L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.878 107.4 55.3 -66.1 -38.2 10.3 32.4 46.5 516 206 B R H < S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 106.3 53.6 -65.4 -25.6 9.4 30.1 49.4 517 207 B G H < S+ 0 0 59 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.855 112.8 42.1 -75.7 -34.7 5.8 30.9 48.7 518 208 B L H < S+ 0 0 89 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.813 124.9 36.5 -79.3 -32.1 6.2 29.8 45.1 519 209 B h S < S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.631 81.4-170.0-124.5 73.9 8.3 26.8 45.9 520 210 B P > - 0 0 59 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.239 36.4-106.6 -63.2 150.6 7.0 25.3 49.2 521 211 B L T 3 S+ 0 0 104 1,-0.3 -26,-0.0 -5,-0.1 4,-0.0 0.829 119.6 25.8 -46.0 -44.7 9.0 22.6 50.9 522 212 B N T 3 S+ 0 0 158 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.149 105.8 111.3-109.1 19.9 6.7 19.8 49.9 523 213 B G S < S- 0 0 35 -3,-2.1 2,-0.7 1,-0.2 -4,-0.1 0.130 81.6 -55.7 -79.5-164.6 5.3 21.5 46.9 524 214 B N > - 0 0 103 1,-0.2 3,-1.5 2,-0.1 -37,-0.3 -0.672 39.2-161.4 -80.2 112.7 5.5 20.9 43.1 525 215 B L T 3 S+ 0 0 69 -2,-0.7 -37,-2.3 1,-0.3 -36,-0.2 0.619 90.3 59.0 -69.8 -12.3 9.2 20.8 42.1 526 216 B S T 3 S+ 0 0 51 -39,-0.2 -1,-0.3 -40,-0.2 -2,-0.1 0.445 75.5 121.9 -96.1 -2.0 8.1 21.4 38.5 527 217 B A < - 0 0 31 -3,-1.5 -40,-2.4 -41,-0.1 2,-0.3 -0.338 62.4-123.7 -60.5 143.2 6.4 24.7 39.3 528 218 B L E -G 486 0G 75 -42,-0.2 2,-0.3 -41,-0.1 -42,-0.2 -0.726 24.2-170.1 -99.4 142.3 7.8 27.6 37.3 529 219 B V E -G 485 0G 7 -44,-2.6 -44,-2.4 -2,-0.3 2,-0.2 -0.958 31.1-106.4-127.0 143.9 9.3 30.8 38.5 530 220 B D E -G 484 0G 48 -2,-0.3 -46,-0.2 -46,-0.2 3,-0.2 -0.504 16.8-146.6 -71.9 135.0 10.3 33.9 36.5 531 221 B F S S+ 0 0 22 -48,-2.0 2,-0.6 1,-0.2 22,-0.5 0.875 92.3 42.3 -66.8 -38.8 14.1 34.4 36.1 532 222 B D - 0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.920 65.5-169.5-116.0 107.2 13.7 38.1 36.1 533 223 B L S S+ 0 0 65 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.652 85.1 53.5 -69.2 -15.2 11.3 39.5 38.6 534 224 B R S S+ 0 0 98 1,-0.2 -1,-0.2 8,-0.1 -53,-0.0 0.954 130.9 2.8 -84.2 -58.2 11.3 43.0 37.1 535 225 B T S > S- 0 0 30 -54,-0.2 3,-0.9 3,-0.1 -1,-0.2 -0.695 71.0-176.8-131.6 80.4 10.5 42.4 33.4 536 226 B P T 3 S+ 0 0 37 0, 0.0 -53,-1.0 0, 0.0 -5,-0.2 0.710 83.2 24.9 -48.3 -32.5 9.8 38.6 33.2 537 227 B T T 3 S+ 0 0 90 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.397 101.0 93.7-118.8 0.9 9.2 38.5 29.4 538 228 B I S < S- 0 0 79 -3,-0.9 2,-1.1 -57,-0.3 -115,-0.2 -0.836 70.9-131.8-101.0 130.2 11.2 41.5 28.1 539 229 B F + 0 0 2 -117,-2.7 2,-0.2 -2,-0.5 -57,-0.1 -0.670 60.1 118.1 -80.1 102.7 14.8 41.2 26.9 540 230 B D S > S- 0 0 21 -2,-1.1 3,-0.6 -5,-0.2 -116,-0.1 -0.831 78.4 -86.6-149.3-173.9 16.6 44.0 28.7 541 231 B N T >> S+ 0 0 9 -2,-0.2 3,-1.2 1,-0.2 4,-0.9 0.320 89.9 105.9 -88.0 10.9 19.3 44.6 31.3 542 232 B K H 3> + 0 0 78 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.780 66.4 72.8 -60.2 -26.5 17.1 44.3 34.3 543 233 B Y H <> S+ 0 0 3 -3,-0.6 4,-1.2 1,-0.2 -1,-0.3 0.898 98.2 47.3 -54.0 -41.9 18.7 40.9 35.0 544 234 B Y H <> S+ 0 0 0 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.829 105.5 57.2 -71.6 -32.8 21.8 42.7 36.1 545 235 B V H X S+ 0 0 26 -4,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.909 104.5 54.1 -64.0 -39.9 20.0 45.2 38.4 546 236 B N H ><>S+ 0 0 2 -4,-2.0 5,-3.0 1,-0.2 3,-0.7 0.880 103.5 55.6 -60.3 -40.6 18.5 42.2 40.2 547 237 B L H ><5S+ 0 0 0 -4,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.897 102.4 56.0 -60.6 -40.6 22.0 40.8 40.8 548 238 B E H 3<5S+ 0 0 48 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.761 109.8 46.5 -63.1 -25.6 23.0 44.1 42.5 549 239 B E T <<5S- 0 0 63 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.228 119.7-109.7-100.1 12.5 20.1 43.6 44.9 550 240 B Q T < 5S+ 0 0 75 -3,-1.8 -42,-3.1 -5,-0.1 -3,-0.2 0.888 84.6 124.1 60.9 41.2 20.9 40.0 45.6 551 241 B K < + 0 0 40 -5,-3.0 -18,-0.3 -44,-0.2 2,-0.3 0.017 22.4 136.2-119.3 25.3 17.8 38.9 43.7 552 242 B G - 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0 0 45 -2,-0.3 -177,-0.1 -177,-0.1 2,-0.1 -0.441 51.4 -94.3 -72.6 148.6 19.8 12.4 9.5 615 305 B N - 0 0 47 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.382 27.1-146.9 -65.8 141.9 19.2 12.3 5.8 616 306 B S 0 0 124 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.994 360.0 360.0 -71.4 -68.6 18.9 8.8 4.2 617 307 B N 0 0 225 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.100 360.0 360.0 174.3 360.0 20.5 9.3 0.8