==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TQG . COMPND 2 MOLECULE: 2-METHYLCITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR M.C.FRANKLIN,J.CHEUNG,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN . 722 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 48.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 3 1 2 6 2 4 4 2 2 0 2 0 0 0 0 2 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 . 2 3 1 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 1 1 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 13 A A 0 0 66 0, 0.0 338,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -9.2 1.9 12.5 87.8 2 14 A G - 0 0 31 703,-0.3 705,-2.7 336,-0.1 2,-0.3 -0.899 360.0 -82.3 148.9 179.9 -1.3 10.7 88.9 3 15 A E E +a 707 0A 89 -2,-0.3 2,-0.3 703,-0.2 705,-0.2 -0.877 31.3 179.1-122.3 150.6 -3.2 9.5 91.9 4 16 A T E -a 708 0A 3 703,-1.8 705,-2.6 -2,-0.3 706,-0.5 -0.995 24.8-173.3-146.0 150.9 -3.2 6.4 94.1 5 17 A S S S+ 0 0 32 -2,-0.3 14,-0.1 704,-0.2 3,-0.1 0.237 74.8 86.8-112.3 7.9 -5.0 5.0 97.1 6 18 A I S S- 0 0 0 1,-0.2 13,-3.4 704,-0.1 2,-0.3 0.942 96.1 -19.9 -81.5 -51.6 -2.6 2.1 97.4 7 19 A A E -B 18 0B 1 11,-0.3 2,-0.3 12,-0.1 -1,-0.2 -0.961 53.3-172.0-152.1 163.5 0.4 3.2 99.5 8 20 A T E -B 17 0B 27 9,-1.6 9,-2.0 -2,-0.3 2,-0.3 -0.953 27.5-124.6-160.6 147.6 2.3 6.3 100.8 9 21 A V E -B 16 0B 8 -2,-0.3 7,-0.2 7,-0.2 4,-0.2 -0.733 60.6 -87.0 -78.2 141.5 5.3 7.4 102.6 10 22 A G > - 0 0 25 5,-1.2 3,-2.4 4,-0.6 4,-0.3 -0.021 46.7 -88.9 -58.0 157.7 4.2 9.6 105.5 11 23 A K T 3 S+ 0 0 195 1,-0.3 -2,-0.1 2,-0.2 -1,-0.1 0.762 125.4 31.1 -35.0 -57.8 3.5 13.3 105.2 12 24 A E T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 237,-0.2 -0.194 130.7 -81.2-101.0 42.2 7.1 14.5 105.9 13 25 A G S < S+ 0 0 4 -3,-2.4 236,-1.1 1,-0.2 237,-0.4 0.768 93.1 129.5 69.5 27.7 8.9 11.5 104.5 14 26 A H - 0 0 84 -4,-0.3 -4,-0.6 234,-0.1 -1,-0.2 -0.961 57.5 -16.4-117.9 129.7 8.4 9.4 107.6 15 27 A G - 0 0 25 -2,-0.4 -5,-1.2 236,-0.3 2,-0.3 -0.006 65.2-107.6 77.2-179.2 7.0 5.8 107.8 16 28 A L E -B 9 0B 5 -7,-0.2 7,-2.3 237,-0.1 2,-0.3 -0.979 23.1-171.8-156.9 133.9 5.1 3.7 105.3 17 29 A T E -BC 8 22B 14 -9,-2.0 -9,-1.6 -2,-0.3 2,-0.5 -0.961 15.3-154.0-129.0 144.8 1.6 2.4 104.8 18 30 A Y E > S-BC 7 21B 0 3,-2.3 3,-2.3 -2,-0.3 -11,-0.3 -0.992 92.9 -22.1-110.1 116.6 -0.2 -0.1 102.5 19 31 A R T 3 S- 0 0 24 -13,-3.4 -12,-0.1 -2,-0.5 -1,-0.1 0.854 131.3 -49.4 48.1 40.6 -3.8 0.9 102.2 20 32 A G T 3 S+ 0 0 0 1,-0.2 694,-3.4 691,-0.2 2,-0.4 0.163 113.3 116.0 91.9 -16.7 -3.4 2.7 105.6 21 33 A Y E < -C 18 0B 38 -3,-2.3 -3,-2.3 692,-0.2 -1,-0.2 -0.727 68.9-111.4 -95.8 135.3 -1.7 -0.1 107.5 22 34 A R E > -C 17 0B 83 692,-0.5 4,-2.3 -2,-0.4 -5,-0.2 -0.290 11.4-133.0 -67.8 140.1 1.8 0.3 108.7 23 35 A I H > S+ 0 0 0 -7,-2.3 4,-3.2 1,-0.2 5,-0.3 0.869 108.4 56.8 -54.3 -38.6 4.6 -1.7 107.2 24 36 A E H > S+ 0 0 66 -8,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.914 109.7 43.1 -61.7 -45.4 5.8 -2.5 110.8 25 37 A D H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.843 115.6 50.7 -69.6 -34.1 2.5 -4.0 111.7 26 38 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.949 113.0 43.5 -67.5 -49.6 2.3 -5.8 108.4 27 39 A A H < S+ 0 0 17 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 118.8 45.2 -63.5 -36.2 5.8 -7.3 108.7 28 40 A A H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.861 128.9 18.5 -77.3 -38.2 5.4 -8.3 112.3 29 41 A N H < S+ 0 0 91 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.628 107.8 73.9-112.1 -20.3 1.9 -9.8 112.2 30 42 A A < - 0 0 5 -4,-2.3 2,-0.2 -5,-0.3 136,-0.1 -0.691 63.6-129.7-111.5 153.1 1.0 -10.8 108.6 31 43 A T > - 0 0 46 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.518 33.3-113.1 -84.6 162.2 1.8 -13.4 106.0 32 44 A F H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.853 120.4 53.9 -62.1 -36.1 2.8 -12.3 102.5 33 45 A E H > S+ 0 0 3 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.926 106.7 51.5 -63.7 -45.1 -0.4 -13.9 101.1 34 46 A E H > S+ 0 0 10 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.857 113.7 44.8 -56.8 -38.5 -2.3 -11.8 103.6 35 47 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.861 111.1 51.6 -77.3 -39.4 -0.4 -8.7 102.3 36 48 A A H X S+ 0 0 0 -4,-3.2 4,-3.4 1,-0.2 5,-0.3 0.930 109.3 52.1 -59.8 -43.5 -0.9 -9.7 98.6 37 49 A Y H X S+ 0 0 32 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.906 108.3 51.4 -58.5 -42.0 -4.6 -10.1 99.4 38 50 A L H X S+ 0 0 2 -4,-1.4 4,-0.8 -5,-0.2 5,-0.3 0.909 116.1 40.0 -62.2 -45.1 -4.7 -6.6 100.9 39 51 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.946 124.5 36.5 -68.4 -50.1 -3.0 -5.1 97.8 40 52 A L H < S+ 0 0 5 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.930 128.7 30.4 -73.7 -45.9 -4.9 -7.1 95.2 41 53 A K H < S- 0 0 52 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.405 102.4-122.3 -97.2 -3.2 -8.4 -7.3 96.9 42 54 A N S < S+ 0 0 106 -4,-0.8 2,-0.2 -5,-0.3 -4,-0.2 0.936 77.6 64.9 61.2 50.0 -8.4 -4.0 98.7 43 55 A K S S- 0 0 76 -6,-0.3 -2,-0.2 -5,-0.3 -1,-0.1 -0.751 87.3 -93.0 178.0 153.8 -8.9 -5.2 102.3 44 56 A L - 0 0 7 -2,-0.2 2,-0.1 -6,-0.1 -9,-0.1 -0.580 52.5-121.0 -67.7 130.7 -7.4 -7.2 105.1 45 57 A P - 0 0 0 0, 0.0 677,-0.1 0, 0.0 2,-0.1 -0.435 14.6-122.5 -75.9 147.1 -8.7 -10.8 104.8 46 58 A T > - 0 0 7 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.333 38.7 -97.8 -68.6 167.6 -10.7 -12.7 107.5 47 59 A K H > S+ 0 0 146 672,-0.5 4,-2.7 675,-0.3 5,-0.2 0.938 127.4 47.8 -51.5 -53.0 -9.2 -16.0 108.8 48 60 A S H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 113.0 47.5 -56.8 -48.1 -11.6 -17.9 106.4 49 61 A E H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 113.6 47.6 -61.4 -42.5 -10.7 -15.6 103.4 50 62 A L H X S+ 0 0 19 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.900 110.4 52.6 -67.2 -40.2 -6.9 -15.9 104.1 51 63 A D H X S+ 0 0 100 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.945 112.1 43.8 -61.1 -51.4 -7.2 -19.7 104.5 52 64 A A H X S+ 0 0 65 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.884 116.1 48.8 -60.4 -40.2 -9.0 -20.2 101.2 53 65 A Y H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 109.5 50.6 -68.2 -44.5 -6.6 -17.8 99.4 54 66 A T H X S+ 0 0 28 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.903 114.5 45.3 -57.6 -42.6 -3.5 -19.4 100.8 55 67 A K H X S+ 0 0 142 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.817 107.6 58.7 -69.7 -36.0 -4.8 -22.8 99.6 56 68 A K H >< S+ 0 0 85 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.951 106.7 46.6 -57.2 -50.4 -5.8 -21.3 96.3 57 69 A L H >< S+ 0 0 5 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.841 103.6 62.8 -65.3 -35.4 -2.1 -20.2 95.6 58 70 A V H >< S+ 0 0 27 -4,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.877 105.5 47.0 -54.6 -40.2 -0.8 -23.6 96.6 59 71 A N T << S+ 0 0 137 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.202 99.5 69.3 -89.7 15.7 -2.7 -25.2 93.7 60 72 A L T < S+ 0 0 46 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.1 -0.027 71.1 99.7-113.1 29.7 -1.5 -22.6 91.2 61 73 A R < + 0 0 8 -3,-0.6 2,-0.4 74,-0.1 -1,-0.1 0.356 49.3 108.7-101.6 3.3 2.1 -23.9 91.2 62 74 A S - 0 0 47 -3,-0.2 70,-0.0 72,-0.1 51,-0.0 -0.669 57.9-144.9 -84.3 134.0 2.1 -26.0 88.0 63 75 A L - 0 0 9 -2,-0.4 70,-0.1 53,-0.1 -2,-0.1 -0.835 24.7-116.2 -89.7 133.1 4.1 -24.7 85.0 64 76 A P >> - 0 0 22 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.434 25.3-116.5 -66.4 146.1 2.5 -25.6 81.6 65 77 A P H 3> S+ 0 0 97 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.846 114.5 55.3 -52.3 -41.2 4.7 -27.9 79.5 66 78 A A H 3> S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.880 108.2 48.5 -60.4 -39.8 5.2 -25.3 76.8 67 79 A L H <> S+ 0 0 0 -3,-0.7 4,-3.0 2,-0.2 5,-0.2 0.939 110.7 49.9 -68.4 -45.8 6.5 -22.8 79.4 68 80 A K H X S+ 0 0 50 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.948 108.1 55.0 -51.3 -49.8 8.9 -25.4 80.8 69 81 A D H X S+ 0 0 47 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.898 111.6 44.6 -50.0 -43.0 10.0 -26.1 77.2 70 82 A T H >< S+ 0 0 1 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.903 111.0 51.3 -72.7 -42.9 10.8 -22.4 76.9 71 83 A L H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 -2,-0.2 0.866 103.9 60.1 -61.7 -36.4 12.6 -22.1 80.2 72 84 A E H 3< S+ 0 0 26 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.789 102.7 53.5 -61.4 -25.5 14.7 -25.1 79.3 73 85 A R T << S+ 0 0 74 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.326 82.6 98.6 -95.9 4.0 16.0 -23.1 76.3 74 86 A I S < S- 0 0 2 -3,-1.4 383,-0.1 -4,-0.2 51,-0.0 -0.863 79.4-120.9 -90.5 123.0 17.2 -20.0 78.1 75 87 A P > - 0 0 50 0, 0.0 3,-1.8 0, 0.0 50,-0.1 -0.217 15.1-117.9 -61.6 152.3 21.0 -20.2 78.7 76 88 A A T 3 S+ 0 0 30 49,-0.4 50,-0.1 1,-0.3 49,-0.1 0.762 113.5 61.6 -60.6 -28.5 22.3 -20.2 82.3 77 89 A S T 3 S+ 0 0 107 48,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.519 77.9 111.0 -77.2 -8.0 24.2 -17.0 81.5 78 90 A S S < S- 0 0 4 -3,-1.8 5,-0.1 1,-0.1 378,-0.1 -0.491 87.2 -98.3 -69.8 134.6 20.9 -15.1 80.7 79 91 A H >> - 0 0 53 -2,-0.2 3,-1.7 1,-0.2 4,-1.1 -0.383 30.6-129.9 -53.9 125.2 20.2 -12.4 83.3 80 92 A P H 3> S+ 0 0 7 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.704 108.7 59.0 -50.8 -24.6 17.7 -14.1 85.7 81 93 A X H 3> S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 121,-0.1 0.786 100.2 54.4 -78.4 -31.4 15.5 -11.0 85.4 82 94 A D H <> S+ 0 0 7 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.741 103.3 59.0 -67.9 -27.6 15.3 -11.6 81.6 83 95 A V H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.931 105.5 46.4 -63.3 -47.6 14.1 -15.0 82.6 84 96 A X H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.837 110.5 56.0 -61.7 -34.9 11.1 -13.5 84.5 85 97 A R H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.987 113.7 36.4 -61.3 -58.9 10.5 -11.3 81.4 86 98 A T H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.861 117.0 53.9 -65.5 -37.7 10.2 -14.2 79.0 87 99 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.941 111.8 43.8 -61.1 -51.2 8.4 -16.4 81.5 88 100 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.950 117.0 47.3 -56.1 -49.5 5.8 -13.8 82.2 89 101 A S H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.3 -2,-0.2 0.902 114.9 44.6 -62.1 -44.6 5.4 -13.0 78.5 90 102 A X H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 3,-0.3 0.902 109.1 55.4 -67.9 -42.4 5.2 -16.6 77.5 91 103 A L H X S+ 0 0 0 -4,-2.7 4,-3.6 1,-0.3 -2,-0.2 0.932 105.3 56.2 -56.3 -43.0 2.7 -17.5 80.3 92 104 A G H < S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.855 106.5 47.7 -51.4 -43.5 0.6 -14.7 78.8 93 105 A N H < S+ 0 0 3 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.845 118.6 42.8 -64.5 -34.9 0.6 -16.4 75.4 94 106 A L H < S+ 0 0 35 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.846 130.6 19.8 -82.4 -39.5 -0.3 -19.7 77.2 95 107 A E S < S- 0 0 64 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.527 85.5-166.4-133.0 65.1 -3.0 -18.4 79.7 96 108 A P - 0 0 43 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.064 26.4-126.4 -59.6 153.9 -4.2 -15.1 78.3 97 109 A E - 0 0 4 -5,-0.1 5,-0.1 8,-0.0 8,-0.1 0.925 31.7-170.4 -61.8 -51.4 -6.2 -12.6 80.4 98 110 A N - 0 0 123 3,-0.1 3,-0.1 2,-0.1 91,-0.0 0.969 63.7 -0.4 52.8 67.0 -9.1 -12.3 77.8 99 111 A G S > S- 0 0 31 1,-0.1 3,-1.9 2,-0.1 4,-0.0 0.277 82.3-101.6 98.3 137.8 -11.0 -9.4 79.3 100 112 A F G > S+ 0 0 70 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.576 110.1 79.9 -70.7 -11.9 -10.3 -7.5 82.4 101 113 A E G 3 S+ 0 0 157 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.677 91.3 56.4 -64.8 -16.4 -13.0 -9.4 84.4 102 114 A N G <> S+ 0 0 49 -3,-1.9 4,-1.8 1,-0.2 3,-0.5 0.353 75.3 112.5 -93.7 5.0 -10.3 -12.1 84.7 103 115 A E H <> S+ 0 0 27 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.810 77.0 44.5 -39.5 -51.4 -7.9 -9.6 86.3 104 116 A Q H > S+ 0 0 53 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.849 107.6 56.8 -74.7 -36.3 -7.8 -11.2 89.7 105 117 A N H > S+ 0 0 90 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.905 111.8 44.1 -61.7 -40.2 -7.5 -14.8 88.4 106 118 A I H X S+ 0 0 16 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.895 110.5 52.8 -73.4 -43.1 -4.3 -13.8 86.5 107 119 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.943 109.7 49.8 -58.0 -48.3 -2.8 -11.7 89.4 108 120 A D H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.875 111.5 50.0 -55.1 -40.6 -3.2 -14.7 91.8 109 121 A R H X S+ 0 0 18 -4,-1.4 4,-2.8 -5,-0.2 5,-0.2 0.951 109.9 49.0 -66.6 -49.2 -1.6 -16.9 89.2 110 122 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.926 113.2 47.2 -56.0 -45.9 1.4 -14.6 88.7 111 123 A V H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.7 44.4 -64.5 -41.0 2.0 -14.3 92.5 112 124 A A H < S+ 0 0 2 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.845 120.4 38.3 -69.8 -36.2 1.7 -18.1 92.9 113 125 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.1 3,-0.5 0.676 88.1 85.7 -97.6 -18.2 3.9 -19.1 89.9 114 126 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.868 90.2 52.7 -55.3 -41.6 6.8 -16.6 89.8 115 127 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.906 110.4 48.8 -57.8 -41.4 8.9 -18.5 92.2 116 128 A A H > S+ 0 0 0 -3,-0.5 4,-2.9 -4,-0.3 5,-0.3 0.890 107.9 54.3 -66.3 -42.0 8.5 -21.7 90.2 117 129 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.961 113.8 41.7 -54.0 -52.4 9.4 -19.9 86.9 118 130 A Q H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.955 119.3 42.5 -62.8 -51.4 12.7 -18.7 88.4 119 131 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.812 112.3 52.5 -71.5 -31.4 13.6 -21.9 90.2 120 132 A Y H X S+ 0 0 2 -4,-2.9 4,-1.8 -5,-0.2 5,-0.2 0.920 113.9 44.3 -69.4 -44.1 12.6 -24.2 87.3 121 133 A W H X S+ 0 0 0 -4,-2.1 4,-3.3 -5,-0.3 5,-0.4 0.984 114.6 50.4 -56.5 -59.0 14.8 -22.2 84.9 122 134 A Y H X>S+ 0 0 30 -4,-2.8 4,-2.6 1,-0.2 5,-0.5 0.890 112.6 43.2 -50.2 -52.7 17.6 -22.0 87.4 123 135 A H H X>S+ 0 0 10 -4,-2.5 6,-1.5 3,-0.2 4,-1.4 0.850 118.6 44.3 -69.1 -33.8 17.8 -25.7 88.2 124 136 A Y H X5S+ 0 0 64 -4,-1.8 4,-1.3 4,-0.2 -2,-0.2 0.959 119.0 40.7 -69.8 -52.3 17.5 -26.8 84.6 125 137 A S H <5S+ 0 0 30 -4,-3.3 -49,-0.4 -5,-0.2 -2,-0.2 0.869 129.0 30.1 -67.6 -37.8 19.9 -24.3 83.1 126 138 A H H <5S+ 0 0 58 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.2 0.812 136.9 20.8 -91.7 -35.4 22.5 -24.6 85.9 127 139 A H H < S- 0 0 37 1,-0.1 4,-1.8 -81,-0.0 5,-0.1 -0.900 74.0-134.1-126.1 143.6 3.4 -20.6 102.7 140 152 A L H > S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.879 105.7 54.4 -64.9 -41.2 4.8 -18.9 99.7 141 153 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 112.3 43.3 -56.7 -47.7 8.0 -17.8 101.4 142 154 A G H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 11,-0.3 0.788 110.0 58.1 -71.3 -28.5 8.8 -21.4 102.4 143 155 A Y H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.926 105.5 48.7 -65.3 -48.0 7.8 -22.6 99.0 144 156 A F H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.908 112.4 47.8 -60.5 -45.1 10.4 -20.4 97.3 145 157 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 6,-0.4 0.831 112.7 50.1 -63.7 -32.6 13.2 -21.6 99.7 146 158 A H H X S+ 0 0 37 -4,-1.6 4,-2.0 2,-0.2 5,-0.4 0.926 112.3 46.2 -72.0 -47.5 12.2 -25.2 99.2 147 159 A L H < S+ 0 0 5 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.881 117.5 44.7 -55.8 -44.0 12.2 -24.9 95.4 148 160 A L H < S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.928 125.1 27.5 -72.2 -45.4 15.6 -23.1 95.4 149 161 A L H < S- 0 0 63 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.464 98.6-120.0-105.8 -7.2 17.5 -25.2 97.9 150 162 A G S < S+ 0 0 61 -4,-2.0 2,-0.3 -5,-0.2 -4,-0.1 0.645 85.1 64.0 79.9 17.3 15.9 -28.7 97.6 151 163 A K S S- 0 0 148 -6,-0.4 -2,-0.3 -5,-0.4 2,-0.2 -0.968 93.4 -88.6-162.0 154.2 14.7 -29.0 101.2 152 164 A K - 0 0 116 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.524 50.2-128.8 -69.1 135.6 12.3 -27.3 103.6 153 165 A A - 0 0 30 -11,-0.3 -1,-0.1 -2,-0.2 -7,-0.1 -0.349 26.7 -87.4 -84.0 165.3 14.1 -24.4 105.3 154 166 A A > - 0 0 74 1,-0.1 4,-2.1 -2,-0.1 3,-0.4 -0.322 40.9-109.7 -66.5 155.8 14.2 -23.7 109.1 155 167 A Q H > S+ 0 0 127 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.916 118.5 55.9 -55.9 -47.1 11.4 -21.6 110.5 156 168 A X H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 108.5 49.3 -55.1 -38.1 13.6 -18.6 111.1 157 169 A A H > S+ 0 0 16 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.919 110.4 49.6 -65.4 -45.1 14.5 -18.7 107.4 158 170 A I H X S+ 0 0 21 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.915 111.1 50.5 -59.2 -44.4 10.8 -18.9 106.4 159 171 A D H X S+ 0 0 64 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.922 110.8 47.8 -61.7 -46.5 10.0 -15.9 108.7 160 172 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.967 112.7 47.6 -60.2 -55.5 12.8 -13.7 107.3 161 173 A X H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.913 112.0 51.4 -49.0 -47.9 11.9 -14.5 103.7 162 174 A N H X S+ 0 0 20 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.926 110.1 48.7 -58.1 -46.8 8.2 -13.8 104.5 163 175 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.876 109.9 52.6 -59.2 -39.5 9.1 -10.5 106.0 164 176 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.893 106.8 51.2 -69.0 -39.1 11.3 -9.6 103.0 165 177 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.814 111.6 49.1 -66.2 -32.2 8.4 -10.2 100.5 166 178 A I H >< S+ 0 0 0 -4,-1.6 3,-1.0 -5,-0.2 4,-0.3 0.945 110.2 50.5 -66.2 -50.9 6.2 -8.0 102.6 167 179 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.804 115.7 41.7 -59.9 -32.6 8.8 -5.2 102.7 168 180 A Y H 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.557 87.1 100.3 -90.2 -7.8 9.3 -5.3 98.9 169 181 A A S << S- 0 0 0 -3,-1.0 155,-1.4 -4,-0.6 2,-0.3 0.756 91.7 -8.6 -53.4 -38.3 5.6 -5.6 98.0 170 182 A E + 0 0 0 -4,-0.3 -1,-0.1 -3,-0.3 3,-0.1 -0.987 46.5 174.0-165.1 145.7 4.8 -2.0 97.1 171 183 A H - 0 0 17 1,-0.5 6,-0.1 -2,-0.3 -153,-0.1 -0.295 49.3-101.8-162.0 63.5 6.3 1.5 97.2 172 184 A E S S- 0 0 31 5,-0.1 -1,-0.5 533,-0.0 2,-0.2 0.038 80.0 -14.9 57.3-160.3 4.2 4.1 95.4 173 185 A F S S+ 0 0 16 4,-0.1 2,-0.3 -3,-0.1 533,-0.1 -0.523 76.2 147.1 -72.2 145.4 5.1 5.3 92.0 174 186 A N > - 0 0 24 -2,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.913 64.3 -78.0-169.9 167.0 8.6 4.5 90.8 175 187 A A H > S+ 0 0 25 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.886 129.9 40.2 -41.2 -52.6 10.2 3.6 87.4 176 188 A S H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.862 116.8 45.8 -71.9 -45.7 8.8 0.1 87.4 177 189 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 111.2 55.3 -64.9 -39.6 5.3 0.8 88.8 178 190 A F H X S+ 0 0 19 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.838 103.4 53.8 -64.5 -36.5 4.9 3.7 86.4 179 191 A A H X S+ 0 0 3 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.863 106.3 54.3 -62.2 -39.3 5.7 1.5 83.4 180 192 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.908 112.6 42.7 -61.5 -41.4 2.9 -0.8 84.6 181 193 A R H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 111.8 52.8 -72.1 -45.8 0.5 2.1 84.7 182 194 A V H < S+ 0 0 7 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.910 113.3 46.0 -55.7 -42.1 1.7 3.5 81.3 183 195 A C H ><>S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 5,-1.2 0.938 113.3 47.2 -64.7 -50.0 1.1 0.1 79.8 184 196 A S H ><5S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.793 99.6 71.0 -61.8 -28.1 -2.3 -0.3 81.4 185 197 A A T 3<5S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.681 95.2 52.3 -66.1 -20.0 -3.2 3.2 80.3 186 198 A T T < 5S- 0 0 8 -3,-1.3 382,-2.0 -4,-0.4 383,-0.4 0.292 122.6-106.4 -92.0 4.7 -3.4 2.1 76.7 187 199 A L T < 5 + 0 0 57 -3,-2.0 -3,-0.2 379,-0.2 -2,-0.1 0.725 65.3 161.0 71.1 27.2 -5.8 -0.8 77.7 188 200 A S < - 0 0 0 -5,-1.2 -1,-0.2 378,-0.2 378,-0.1 -0.255 44.8 -93.2 -65.9 162.5 -3.1 -3.4 77.3 189 201 A D > - 0 0 8 373,-0.1 4,-1.6 1,-0.1 -1,-0.1 -0.227 35.2-104.5 -73.5 172.1 -3.6 -6.8 79.0 190 202 A I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.867 117.8 54.8 -69.6 -41.1 -2.2 -7.6 82.4 191 203 A Y H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 107.1 51.4 -61.9 -39.6 0.7 -9.7 81.2 192 204 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 111.2 47.4 -59.5 -47.9 2.0 -6.9 79.0 193 205 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.926 114.9 45.1 -63.0 -45.7 1.9 -4.4 81.9 194 206 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.899 111.6 53.5 -63.1 -41.1 3.7 -6.8 84.3 195 207 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.877 108.7 49.6 -63.4 -38.4 6.2 -7.6 81.5 196 208 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.907 108.9 51.6 -65.3 -44.1 7.0 -4.0 81.1 197 209 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.922 111.2 48.3 -58.0 -43.7 7.4 -3.5 84.8 198 210 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.930 109.5 52.0 -63.2 -45.2 9.9 -6.4 84.8 199 211 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.813 114.7 43.7 -59.4 -31.1 11.7 -4.9 81.8 200 212 A T H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.869 111.6 51.6 -79.5 -42.5 12.0 -1.6 83.7 201 213 A L H 3< S+ 0 0 1 -4,-2.9 6,-0.4 1,-0.2 -2,-0.2 0.678 93.1 77.9 -68.5 -20.3 13.0 -3.3 87.0 202 214 A R T 3< S+ 0 0 45 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.734 72.0 95.8 -58.4 -28.6 15.7 -5.2 85.1 203 215 A G S X> S- 0 0 0 -3,-1.2 4,-2.8 -4,-0.2 3,-1.8 -0.530 77.3-137.5 -68.3 130.3 17.9 -2.0 85.1 204 216 A P H 3> S+ 0 0 66 0, 0.0 4,-0.7 0, 0.0 346,-0.2 0.721 98.7 68.5 -66.9 -20.6 20.4 -2.0 88.0 205 217 A L H 34 S+ 0 0 110 344,-1.8 345,-0.1 1,-0.1 -4,-0.1 0.673 120.2 20.4 -65.4 -16.7 19.8 1.7 88.9 206 218 A H H <4 S+ 0 0 38 -3,-1.8 3,-0.2 343,-0.5 -1,-0.1 0.738 137.3 22.8-116.5 -50.2 16.3 0.5 90.0 207 219 A G H < S+ 0 0 3 -4,-2.8 3,-0.2 -6,-0.4 110,-0.2 0.522 112.3 58.3-106.8 -6.4 16.2 -3.2 90.7 208 220 A G X + 0 0 6 -4,-0.7 4,-2.2 -5,-0.4 -1,-0.1 0.057 61.7 112.6-117.2 26.0 19.7 -4.4 91.5 209 221 A A H > S+ 0 0 14 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 80.8 49.3 -67.4 -44.4 20.8 -2.3 94.5 210 222 A N H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.844 110.9 50.8 -65.5 -32.4 21.0 -5.2 96.9 211 223 A E H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 111.9 47.3 -66.7 -44.4 23.0 -7.3 94.4 212 224 A A H X S+ 0 0 37 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.875 110.0 53.6 -63.5 -37.0 25.4 -4.4 94.1 213 225 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.892 106.6 52.0 -65.3 -40.0 25.5 -4.0 97.9 214 226 A X H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.901 108.7 50.0 -62.2 -42.8 26.5 -7.7 98.2 215 227 A D H < S+ 0 0 97 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.933 115.6 44.6 -58.0 -46.2 29.3 -7.3 95.6 216 228 A L H >< S+ 0 0 16 -4,-2.1 3,-2.0 2,-0.2 -2,-0.2 0.969 112.5 48.5 -62.3 -60.1 30.5 -4.3 97.7 217 229 A I H >< S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.3 -1,-0.2 0.880 107.6 59.7 -43.1 -45.0 30.2 -5.9 101.1 218 230 A X T 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.587 84.2 76.6 -69.9 -14.6 32.1 -8.9 99.8 219 231 A L T < S+ 0 0 103 -3,-2.0 2,-0.4 -4,-0.5 -1,-0.3 0.583 90.8 71.6 -66.3 -8.8 35.2 -6.9 98.9 220 232 A Y < - 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0 0 46 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.123 24.3-133.5 -57.0 145.5 21.8 -10.8 74.7 460 109 B E + 0 0 3 1,-0.2 5,-0.2 -5,-0.1 2,-0.1 0.867 36.7 176.2 -62.4 -39.3 23.0 -7.2 74.1 461 110 B N + 0 0 126 3,-0.1 -1,-0.2 2,-0.1 4,-0.1 -0.417 58.0 24.1 56.1-134.5 25.6 -7.4 76.9 462 111 B G S > S- 0 0 31 1,-0.1 3,-1.6 -2,-0.1 4,-0.1 -0.137 84.1-118.3 -59.4 155.2 27.5 -4.2 76.9 463 112 B F G > S+ 0 0 68 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.653 103.3 83.2 -68.8 -16.8 25.9 -1.1 75.4 464 113 B E G 3 S+ 0 0 160 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.660 86.4 60.6 -61.1 -13.3 28.6 -0.8 72.7 465 114 B N G X> S+ 0 0 56 -3,-1.6 4,-2.0 -5,-0.2 3,-0.6 0.446 70.7 112.8 -92.3 -2.7 26.4 -3.4 70.8 466 115 B E H <> S+ 0 0 26 -3,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.820 77.4 45.1 -24.2 -63.7 23.4 -1.1 70.7 467 116 B Q H 3> S+ 0 0 68 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.852 110.4 53.1 -64.6 -40.6 23.4 -0.6 66.9 468 117 B N H <> S+ 0 0 85 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.866 110.7 46.7 -66.7 -36.0 24.0 -4.3 66.1 469 118 B I H X S+ 0 0 17 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.942 111.7 50.7 -71.8 -47.0 21.0 -5.4 68.2 470 119 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.938 111.7 48.9 -50.8 -50.1 18.7 -2.7 66.7 471 120 B D H X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.887 110.7 50.3 -58.3 -41.8 19.9 -3.9 63.2 472 121 B R H X S+ 0 0 21 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.905 112.7 47.1 -61.4 -42.1 19.1 -7.5 64.2 473 122 B L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.894 111.2 49.2 -69.3 -44.5 15.6 -6.5 65.5 474 123 B V H < S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.885 116.4 45.3 -59.3 -38.2 14.7 -4.4 62.4 475 124 B A H < S+ 0 0 0 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.829 120.6 34.9 -76.4 -33.8 15.8 -7.3 60.2 476 125 B I H >X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.1 3,-0.8 0.644 90.2 85.9-102.7 -19.4 14.2 -10.2 62.0 477 126 B F H 3X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.3 5,-0.2 0.859 89.0 54.4 -56.8 -39.0 10.9 -8.9 63.4 478 127 B P H 3> S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.888 110.0 48.2 -62.2 -33.7 9.0 -9.6 60.1 479 128 B A H <> S+ 0 0 0 -3,-0.8 4,-3.0 -4,-0.2 5,-0.3 0.852 105.4 57.1 -72.0 -39.8 10.1 -13.2 60.3 480 129 B I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 5,-0.2 0.951 112.5 41.5 -56.9 -48.5 9.1 -13.7 63.9 481 130 B Q H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.963 119.1 43.1 -64.9 -52.4 5.5 -12.7 63.1 482 131 B C H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.881 111.3 53.1 -66.5 -40.6 5.2 -14.6 59.9 483 132 B Y H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.915 114.6 43.2 -60.4 -45.2 6.9 -17.8 61.1 484 133 B W H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 5,-0.4 0.905 113.1 53.2 -61.6 -44.7 4.6 -18.0 64.0 485 134 B Y H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.961 114.0 40.2 -58.6 -52.3 1.6 -17.1 61.8 486 135 B H H X S+ 0 0 21 -4,-3.0 4,-1.8 2,-0.2 6,-1.6 0.872 118.5 45.6 -69.6 -37.5 2.2 -19.8 59.3 487 136 B Y H X S+ 0 0 65 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.954 118.9 40.3 -68.3 -49.0 3.2 -22.5 61.8 488 137 B S H < S+ 0 0 27 -4,-2.6 -49,-0.3 -5,-0.2 -2,-0.2 0.838 125.7 35.2 -72.1 -33.3 0.3 -21.8 64.2 489 138 B H H < S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.4 -3,-0.2 0.779 136.9 15.6 -92.1 -27.9 -2.4 -21.2 61.6 490 139 B H H < S- 0 0 128 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.374 93.2-117.8-129.6 0.8 -1.3 -23.7 58.8 491 140 B G S < S+ 0 0 60 -4,-1.8 2,-0.4 -5,-0.3 -4,-0.3 0.706 71.5 132.7 66.9 23.0 1.2 -26.2 60.5 492 141 B K - 0 0 116 -6,-1.6 2,-0.8 -9,-0.1 -1,-0.2 -0.870 53.3-146.4-114.2 131.6 3.9 -25.0 58.1 493 142 B R - 0 0 154 -2,-0.4 2,-0.1 -3,-0.1 -10,-0.1 -0.873 28.1-152.2 -93.1 106.4 7.5 -24.0 58.9 494 143 B I - 0 0 14 -2,-0.8 2,-0.6 -11,-0.2 16,-0.0 -0.459 17.4-112.4 -79.4 151.3 8.3 -21.3 56.4 495 144 B D - 0 0 106 1,-0.1 -1,-0.1 -2,-0.1 3,-0.0 -0.745 31.1-178.1 -76.0 119.1 11.8 -20.5 55.0 496 145 B T + 0 0 1 -2,-0.6 2,-1.5 1,-0.1 -1,-0.1 0.520 60.6 89.1 -97.9 -8.3 12.7 -17.0 56.4 497 146 B E + 0 0 117 -71,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.604 62.4 160.1 -90.6 76.5 16.2 -16.7 54.7 498 147 B L - 0 0 31 -2,-1.5 -74,-0.1 -74,-0.1 8,-0.1 -0.610 46.5-130.5-100.3 159.0 14.8 -15.1 51.6 499 148 B D + 0 0 115 -2,-0.2 2,-0.1 7,-0.0 -78,-0.1 0.330 53.8 140.3 -95.1 9.2 16.8 -13.0 49.0 500 149 B D - 0 0 13 1,-0.2 6,-0.1 5,-0.1 -2,-0.1 -0.308 46.2-147.8 -56.9 124.9 14.4 -10.0 48.8 501 150 B L S S+ 0 0 136 -2,-0.1 2,-0.3 4,-0.1 -1,-0.2 0.764 76.6 55.8 -66.2 -26.2 16.6 -6.9 48.5 502 151 B T S > S- 0 0 46 1,-0.1 4,-2.1 -81,-0.0 5,-0.1 -0.797 73.7-135.8-115.8 152.4 14.0 -4.7 50.5 503 152 B L H > S+ 0 0 6 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.827 107.3 54.8 -72.6 -34.2 12.4 -5.0 53.9 504 153 B A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 112.7 42.8 -61.0 -48.4 9.0 -4.1 52.5 505 154 B G H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 11,-0.2 0.871 110.1 58.4 -66.3 -37.1 9.2 -6.9 49.9 506 155 B Y H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.945 106.6 46.1 -57.1 -55.4 10.6 -9.3 52.4 507 156 B F H X S+ 0 0 6 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.940 113.7 48.3 -53.4 -52.0 7.6 -9.0 54.7 508 157 B L H X S+ 0 0 2 -4,-1.8 4,-2.1 1,-0.2 6,-0.4 0.788 112.6 50.1 -63.4 -30.0 5.1 -9.4 51.9 509 158 B H H X S+ 0 0 33 -4,-2.1 4,-2.1 -3,-0.2 -1,-0.2 0.920 112.3 45.8 -71.1 -49.1 7.1 -12.4 50.6 510 159 B L H < S+ 0 0 5 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.903 119.2 42.8 -58.7 -42.1 7.1 -14.1 54.0 511 160 B L H < S+ 0 0 8 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.939 125.3 28.6 -73.2 -50.1 3.4 -13.4 54.6 512 161 B L H < S- 0 0 62 -4,-2.1 -3,-0.2 2,-0.2 -2,-0.2 0.546 97.6-125.4 -97.6 -10.3 1.9 -14.2 51.1 513 162 B G S < S+ 0 0 59 -4,-2.1 2,-0.3 -5,-0.2 -4,-0.1 0.525 81.3 71.2 83.1 7.6 4.4 -16.9 49.9 514 163 B K S S- 0 0 129 -6,-0.4 -2,-0.2 -5,-0.1 -1,-0.1 -0.985 92.3 -87.2-151.8 150.7 5.3 -15.2 46.6 515 164 B K - 0 0 115 -2,-0.3 2,-0.1 1,-0.1 -9,-0.1 -0.299 50.6-117.6 -61.8 141.7 7.3 -12.1 45.6 516 165 B A - 0 0 26 -11,-0.2 -1,-0.1 1,-0.1 -7,-0.1 -0.427 21.6-104.8 -85.7 153.3 5.3 -8.9 45.6 517 166 B A > - 0 0 70 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.297 38.2-107.6 -64.9 161.1 4.5 -6.6 42.6 518 167 B Q H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.867 117.6 52.5 -62.7 -40.1 6.4 -3.3 42.5 519 168 B X H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 108.4 52.2 -67.2 -40.2 3.5 -1.1 43.5 520 169 B A H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.930 109.6 49.4 -55.3 -47.0 2.8 -3.3 46.5 521 170 B I H X S+ 0 0 20 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.933 111.0 50.4 -59.1 -44.9 6.5 -2.9 47.6 522 171 B D H X S+ 0 0 85 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.872 111.6 46.2 -64.8 -41.0 6.4 0.9 47.2 523 172 B C H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.935 114.3 47.0 -66.6 -47.4 3.3 1.3 49.2 524 173 B X H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.910 111.9 52.5 -60.4 -46.0 4.5 -1.0 52.0 525 174 B N H X S+ 0 0 17 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.905 110.6 46.3 -54.5 -46.0 7.8 0.8 52.0 526 175 B A H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.913 110.6 53.5 -69.1 -40.6 6.1 4.2 52.3 527 176 B S H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.930 106.2 52.5 -58.3 -46.4 3.9 2.9 55.1 528 177 B L H X S+ 0 0 7 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.881 109.4 50.3 -55.0 -40.3 6.9 1.7 57.1 529 178 B I H >< S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 4,-0.4 0.939 108.4 52.6 -63.5 -46.1 8.5 5.1 56.8 530 179 B L H 3< S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.849 115.3 39.8 -59.7 -37.8 5.3 6.8 58.0 531 180 B Y H 3< S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.470 89.1 98.5 -89.9 -4.4 5.1 4.6 61.2 532 181 B A S << S- 0 0 0 -3,-0.9 155,-1.4 -4,-0.7 2,-0.3 0.785 93.1 -4.2 -55.0 -37.1 8.9 4.7 61.9 533 182 B E + 0 0 0 -4,-0.4 -1,-0.2 -3,-0.3 152,-0.1 -0.977 46.6 171.7-165.1 140.9 8.9 7.4 64.5 534 183 B H - 0 0 16 1,-0.5 6,-0.1 -2,-0.3 -162,-0.1 -0.174 47.2-109.0-156.3 54.5 6.7 9.9 66.3 535 184 B E S S- 0 0 24 5,-0.1 -1,-0.5 -164,-0.0 2,-0.4 -0.118 81.3 -8.0 56.8-150.4 8.3 11.7 69.2 536 185 B F S S+ 0 0 12 4,-0.1 2,-0.3 -195,-0.1 -193,-0.1 -0.680 79.3 146.4 -80.9 130.6 7.2 10.9 72.7 537 186 B N > - 0 0 21 -2,-0.4 4,-3.4 -195,-0.1 5,-0.4 -0.935 64.5 -78.4-156.8 164.5 4.2 8.6 72.8 538 187 B A H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.831 128.6 36.6 -38.1 -55.6 3.0 5.9 75.2 539 188 B S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 118.2 47.3 -73.4 -41.3 5.3 3.2 73.7 540 189 B T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 112.7 52.0 -66.8 -36.9 8.4 5.3 73.0 541 190 B F H >X S+ 0 0 11 -4,-3.4 4,-2.5 2,-0.2 3,-0.7 0.975 107.1 52.2 -60.7 -51.7 8.0 6.8 76.5 542 191 B A H 3X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.4 -2,-0.2 0.890 108.0 52.1 -49.3 -46.1 7.9 3.3 77.9 543 192 B A H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.851 111.8 46.4 -59.9 -36.1 11.2 2.4 76.1 544 193 B R H <>S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.3 5,-1.2 0.914 111.6 47.7 -64.2 -49.9 13.1 1.4 80.7 547 196 B S H ><5S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.808 100.7 67.3 -61.6 -33.6 16.4 2.7 79.3 548 197 B A T 3<5S+ 0 0 10 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.621 95.3 56.0 -67.3 -13.7 16.7 5.3 82.1 549 198 B T T < 5S- 0 0 8 -3,-1.2 -344,-1.8 -4,-0.4 -343,-0.5 0.331 122.0-108.1 -92.8 5.3 17.2 2.5 84.7 550 199 B L T < 5 + 0 0 65 -3,-2.0 -3,-0.2 -347,-0.2 -2,-0.1 0.782 66.1 158.9 67.4 33.2 20.2 1.1 82.6 551 200 B S < - 0 0 0 -5,-1.2 -1,-0.2 -348,-0.2 -348,-0.1 -0.433 45.7 -90.3 -80.4 159.6 18.1 -1.8 81.4 552 201 B D > - 0 0 8 -2,-0.1 4,-1.8 -353,-0.1 3,-0.3 -0.220 34.5-108.3 -68.9 163.0 19.1 -3.8 78.3 553 202 B I H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.818 116.6 54.2 -64.2 -36.0 17.8 -2.9 74.8 554 203 B Y H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 106.3 53.4 -67.9 -37.1 15.5 -6.0 74.5 555 204 B S H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.962 110.4 47.6 -54.2 -56.2 13.8 -5.0 77.8 556 205 B A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 114.9 44.3 -52.5 -51.4 13.1 -1.5 76.5 557 206 B V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.890 112.9 52.0 -66.1 -38.9 11.7 -2.8 73.2 558 207 B T H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.926 109.2 50.3 -60.5 -45.1 9.7 -5.5 74.9 559 208 B A H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.904 111.1 48.8 -58.5 -44.2 8.2 -2.8 77.2 560 209 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.920 110.9 49.0 -63.5 -47.5 7.3 -0.7 74.2 561 210 B I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.933 109.9 52.8 -55.7 -49.8 5.7 -3.6 72.4 562 211 B A H < S+ 0 0 0 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.813 113.2 44.3 -52.6 -35.7 3.7 -4.4 75.6 563 212 B T H >< S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.2 7,-0.3 0.894 111.0 52.2 -79.1 -41.2 2.5 -0.8 75.6 564 213 B L H 3< S+ 0 0 2 -4,-3.0 6,-0.6 1,-0.3 5,-0.2 0.778 93.3 75.4 -66.2 -25.9 1.7 -0.7 71.8 565 214 B R T 3< S+ 0 0 48 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.765 74.4 100.3 -54.8 -27.3 -0.4 -3.9 72.4 566 215 B G S X>>S- 0 0 0 -3,-1.4 4,-2.8 -4,-0.2 3,-1.9 -0.426 76.7-136.4 -66.4 132.2 -3.0 -1.6 74.0 567 216 B P T 345S+ 0 0 65 0, 0.0 -380,-0.2 0, 0.0 -1,-0.1 0.762 102.2 61.6 -65.1 -24.2 -5.8 -0.8 71.5 568 217 B L T 345S+ 0 0 88 -382,-2.0 -381,-0.1 1,-0.1 -2,-0.1 0.553 121.2 23.6 -74.2 -6.5 -5.9 2.9 72.5 569 218 B H T <45S+ 0 0 36 -3,-1.9 3,-0.2 -383,-0.4 -5,-0.1 0.701 134.0 20.2-121.1 -51.0 -2.3 3.2 71.2 570 219 B G T <5S+ 0 0 1 -4,-2.8 3,-0.3 -6,-0.6 4,-0.1 0.750 110.8 57.8 -99.0 -26.7 -1.4 0.5 68.7 571 220 B G >< + 0 0 13 -5,-0.6 4,-1.9 1,-0.2 3,-0.3 0.112 59.5 116.3-102.9 25.2 -4.5 -0.9 67.1 572 221 B A H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.846 78.3 50.2 -66.6 -36.1 -6.5 2.0 65.5 573 222 B N H > S+ 0 0 3 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.827 108.4 54.4 -71.4 -29.5 -6.2 0.8 61.9 574 223 B E H > S+ 0 0 38 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.922 111.9 43.2 -65.6 -46.5 -7.4 -2.7 62.9 575 224 B A H X S+ 0 0 41 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.897 112.6 53.9 -66.5 -40.2 -10.5 -1.1 64.5 576 225 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.872 107.5 50.6 -62.4 -37.1 -10.9 1.3 61.5 577 226 B X H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.937 109.8 49.8 -63.9 -46.4 -10.9 -1.8 59.0 578 227 B D H < S+ 0 0 102 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.898 114.4 46.8 -54.5 -44.5 -13.6 -3.5 61.2 579 228 B L H >< S+ 0 0 16 -4,-2.2 3,-1.7 1,-0.2 4,-0.2 0.940 111.2 48.6 -64.7 -51.0 -15.6 -0.3 61.0 580 229 B I H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.853 105.4 60.5 -59.7 -35.4 -15.2 0.3 57.3 581 230 B X T 3< S+ 0 0 106 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.487 86.2 75.9 -77.0 -1.6 -16.2 -3.3 56.5 582 231 B L T < S+ 0 0 105 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.2 0.644 89.9 70.0 -73.7 -16.7 -19.7 -2.8 58.2 583 232 B Y < - 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