==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-APR-11 3RNB . COMPND 2 MOLECULE: TOLUENE O-XYLENE MONOOXYGENASE COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. OX1; . AUTHOR G.GUCINSKI,W.J.SONG,S.J.LIPPARD,M.H.SAZINSKY . 899 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 2 0.2 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 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 427 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 4.3 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 6 0 3 4 2 5 3 2 0 3 1 0 0 0 2 1 0 0 2 0 2 0 1 0 1 0 2 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 4 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S 0 0 68 0, 0.0 2,-0.3 0, 0.0 589,-0.2 0.000 360.0 360.0 360.0 161.7 -97.9 5.1 1.6 2 3 A M - 0 0 84 588,-0.1 2,-0.1 1,-0.0 3,-0.0 -0.836 360.0-114.5-112.9 147.8 -95.9 2.0 2.6 3 4 A L - 0 0 30 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 -0.403 35.1-107.9 -64.8 152.7 -95.9 -0.0 5.8 4 5 A K > - 0 0 126 1,-0.1 3,-1.1 -2,-0.1 4,-0.5 -0.643 28.6-120.8 -75.5 145.0 -92.8 -0.1 7.9 5 6 A R G >> S+ 0 0 96 -2,-0.3 4,-2.4 1,-0.2 3,-2.0 0.915 109.9 64.1 -52.0 -49.4 -91.1 -3.5 7.7 6 7 A E G 34 S+ 0 0 154 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.769 96.8 60.2 -40.7 -39.6 -91.4 -4.1 11.4 7 8 A D G <4 S+ 0 0 66 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.655 120.4 16.4 -70.0 -27.3 -95.2 -4.1 11.1 8 9 A W T X> S+ 0 0 14 -3,-2.0 3,-1.5 -4,-0.5 4,-0.6 0.452 91.5 101.3-128.8 -10.1 -95.6 -7.0 8.7 9 10 A Y H >X S+ 0 0 9 -4,-2.4 3,-2.3 1,-0.3 4,-0.6 0.919 77.0 60.0 -47.2 -52.8 -92.4 -9.0 8.8 10 11 A D H >4 S+ 0 0 92 -4,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.762 95.8 63.6 -50.8 -26.8 -93.7 -11.8 11.1 11 12 A L H X4 S+ 0 0 13 -3,-1.5 3,-1.1 1,-0.2 -1,-0.3 0.796 91.7 64.5 -69.1 -26.8 -96.4 -12.6 8.6 12 13 A T H << S+ 0 0 6 -3,-2.3 -1,-0.2 -4,-0.6 -2,-0.2 0.728 112.5 34.6 -62.8 -24.2 -93.8 -13.7 6.0 13 14 A R T << S+ 0 0 34 -3,-0.9 2,-1.0 -4,-0.6 -1,-0.2 0.002 84.5 103.5-126.0 24.9 -92.7 -16.5 8.3 14 15 A T < + 0 0 54 -3,-1.1 -1,-0.1 1,-0.2 -3,-0.0 -0.732 48.6 122.0 -98.8 75.8 -96.0 -17.5 9.9 15 16 A T + 0 0 0 -2,-1.0 2,-0.2 603,-0.1 -1,-0.2 0.338 27.7 113.3-129.9 10.1 -96.1 -20.5 7.6 16 17 A N + 0 0 5 -3,-0.2 2,-0.3 24,-0.0 599,-0.0 -0.594 36.3 171.5 -85.4 142.7 -96.3 -23.6 9.8 17 18 A W - 0 0 7 -2,-0.2 -2,-0.0 598,-0.0 659,-0.0 -0.913 39.7-104.2-147.0 165.9 -99.4 -25.8 9.8 18 19 A T - 0 0 76 -2,-0.3 5,-0.0 5,-0.0 -2,-0.0 -0.860 40.9-135.1-102.8 103.0 -100.4 -29.1 11.3 19 20 A P + 0 0 18 0, 0.0 5,-0.2 0, 0.0 670,-0.1 -0.162 30.7 169.1 -60.9 153.9 -100.4 -31.6 8.4 20 21 A K S S+ 0 0 140 3,-0.1 669,-0.1 668,-0.1 3,-0.0 0.567 70.8 53.4-134.8 -42.0 -103.4 -34.0 8.1 21 22 A Y S S+ 0 0 55 667,-0.1 2,-0.3 2,-0.1 668,-0.1 0.678 124.7 19.3 -83.0 -18.5 -103.3 -35.8 4.8 22 23 A V S S- 0 0 10 0, 0.0 2,-0.2 0, 0.0 671,-0.1 -0.869 94.8 -98.9-137.5 172.2 -99.8 -36.9 5.5 23 24 A T >> - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.511 25.4-115.5 -98.3 161.6 -97.9 -37.1 8.8 24 25 A E H 3> S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.931 118.4 50.1 -59.8 -43.4 -95.4 -34.6 10.3 25 26 A N H 34 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 5,-0.2 0.692 110.4 51.9 -67.1 -21.1 -92.5 -37.2 10.0 26 27 A E H <4 S+ 0 0 89 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.829 114.5 39.9 -82.9 -36.2 -93.5 -37.9 6.4 27 28 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.818 128.8 33.0 -82.7 -30.4 -93.4 -34.2 5.5 28 29 A F S < S- 0 0 5 -4,-2.7 -1,-0.3 -5,-0.3 7,-0.2 -0.636 84.3-159.7-122.3 70.5 -90.3 -33.5 7.5 29 30 A P >> - 0 0 15 0, 0.0 4,-2.3 0, 0.0 3,-2.1 -0.311 20.3-130.3 -57.7 131.8 -88.3 -36.8 7.3 30 31 A E H 3> S+ 0 0 84 1,-0.3 4,-1.9 2,-0.2 6,-0.1 0.783 105.2 61.4 -56.2 -34.9 -85.9 -36.8 10.3 31 32 A E H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.2 508,-0.1 0.730 116.6 31.8 -67.7 -23.0 -82.9 -37.6 8.2 32 33 A M H <4 S+ 0 0 0 -3,-2.1 152,-2.8 151,-0.1 -2,-0.2 0.751 128.2 36.0 -99.8 -30.5 -83.5 -34.4 6.2 33 34 A S H < S- 0 0 1 -4,-2.3 152,-1.2 150,-0.2 85,-0.2 0.856 75.7-157.0 -93.8 -38.4 -84.9 -32.1 8.9 34 35 A G < + 0 0 0 -4,-1.9 -4,-0.1 -5,-0.3 -3,-0.1 0.910 29.1 160.0 62.5 40.8 -83.0 -33.1 12.0 35 36 A A > - 0 0 3 -7,-0.2 3,-1.4 1,-0.1 -1,-0.1 0.788 35.5-150.9 -70.1 -28.5 -85.7 -31.7 14.3 36 37 A R T 3 - 0 0 44 1,-0.3 3,-0.1 -6,-0.1 -1,-0.1 0.745 59.1 -55.9 75.6 28.5 -84.3 -34.0 17.0 37 38 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.267 106.1 127.6 85.1 -12.1 -87.4 -34.7 19.1 38 39 A I < - 0 0 12 -3,-1.4 -1,-0.3 1,-0.1 206,-0.0 -0.675 61.0-116.8 -79.7 134.6 -87.9 -30.9 19.5 39 40 A S > - 0 0 66 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.069 15.0-110.8 -77.2 162.3 -91.5 -29.9 18.5 40 41 A M H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.937 119.4 55.3 -53.4 -43.4 -92.7 -27.6 15.7 41 42 A E H 4 S+ 0 0 155 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.884 107.7 46.7 -62.6 -41.7 -93.8 -25.1 18.4 42 43 A A H >4 S+ 0 0 23 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.860 108.3 55.9 -67.7 -40.0 -90.3 -25.0 20.0 43 44 A W H >< S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.819 94.9 71.5 -59.2 -27.3 -88.6 -24.5 16.4 44 45 A E T 3< S+ 0 0 74 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.586 79.7 71.2 -68.6 -10.5 -90.9 -21.5 16.0 45 46 A K T < S+ 0 0 159 -3,-1.4 -1,-0.3 -4,-0.2 2,-0.2 0.599 70.6 122.7 -75.8 -8.5 -88.9 -19.5 18.6 46 47 A Y < + 0 0 10 -3,-1.8 2,-0.4 -4,-0.1 75,-0.3 -0.373 40.3 179.5 -58.2 121.9 -86.2 -19.4 15.9 47 48 A D - 0 0 80 -2,-0.2 -1,-0.1 74,-0.1 -2,-0.0 -0.839 21.3-145.2-138.4 101.3 -85.6 -15.7 15.2 48 49 A E - 0 0 0 -2,-0.4 188,-0.1 1,-0.1 3,-0.0 -0.312 9.3-147.4 -63.4 131.4 -83.0 -14.5 12.7 49 50 A P S S+ 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.773 85.1 56.7 -77.9 -23.0 -81.3 -11.4 13.9 50 51 A Y S S- 0 0 148 181,-0.1 2,-0.3 182,-0.1 185,-0.1 -0.937 78.0-165.4-108.3 113.5 -80.8 -9.8 10.4 51 52 A K + 0 0 62 -2,-0.6 2,-0.3 -3,-0.0 181,-0.0 -0.670 14.5 164.7 -99.9 149.1 -84.1 -9.6 8.6 52 53 A I - 0 0 18 -2,-0.3 2,-0.3 180,-0.1 76,-0.1 -0.983 18.6-146.4-156.1 156.8 -84.8 -8.9 5.0 53 54 A T > - 0 0 5 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.889 33.6 -98.7-128.0 160.6 -87.7 -9.2 2.5 54 55 A Y H > S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.834 118.3 46.1 -45.7 -51.3 -88.0 -10.0 -1.2 55 56 A P H > S+ 0 0 18 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.920 113.9 49.5 -67.2 -38.5 -88.3 -6.5 -2.6 56 57 A E H > S+ 0 0 65 -3,-0.4 4,-2.3 1,-0.2 5,-0.3 0.928 112.5 50.1 -56.1 -47.1 -85.3 -5.3 -0.5 57 58 A Y H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.958 110.6 44.7 -57.1 -57.4 -83.3 -8.3 -1.7 58 59 A V H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 518,-0.2 0.744 118.3 47.5 -67.3 -18.1 -83.8 -8.0 -5.4 59 60 A S H X S+ 0 0 48 -4,-1.2 4,-1.4 -5,-0.3 3,-0.5 0.968 113.3 41.9 -86.2 -65.5 -83.2 -4.3 -5.2 60 61 A I H X S+ 0 0 79 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.786 117.2 51.5 -41.5 -38.5 -80.0 -4.1 -3.1 61 62 A Q H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.790 101.8 56.0 -86.0 -23.4 -78.6 -7.1 -5.1 62 63 A R H X S+ 0 0 79 -4,-0.7 4,-1.8 -3,-0.5 -1,-0.2 0.846 107.8 54.3 -65.2 -32.8 -79.2 -5.6 -8.5 63 64 A E H X S+ 0 0 118 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.843 107.7 48.5 -69.0 -34.7 -77.1 -2.7 -7.1 64 65 A K H X S+ 0 0 41 -4,-1.1 4,-2.4 2,-0.2 5,-0.2 0.944 112.9 44.6 -73.3 -47.3 -74.2 -5.1 -6.1 65 66 A D H X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.852 109.6 58.7 -65.9 -33.3 -74.0 -6.9 -9.4 66 67 A S H X S+ 0 0 50 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.930 111.5 39.8 -58.7 -46.7 -74.2 -3.6 -11.4 67 68 A G H X S+ 0 0 32 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.965 117.6 46.9 -70.4 -54.9 -71.2 -2.2 -9.7 68 69 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.848 115.7 44.6 -55.2 -45.3 -69.1 -5.4 -9.7 69 70 A Y H X S+ 0 0 32 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.834 113.5 52.6 -72.4 -28.0 -69.9 -6.2 -13.4 70 71 A S H X S+ 0 0 79 -4,-1.5 4,-1.7 -5,-0.3 -2,-0.2 0.882 108.1 49.0 -72.6 -41.9 -69.2 -2.6 -14.2 71 72 A I H X S+ 0 0 62 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.961 111.0 52.4 -59.0 -49.0 -65.8 -2.6 -12.5 72 73 A K H X S+ 0 0 17 -4,-2.1 4,-1.1 1,-0.2 3,-0.4 0.901 110.6 45.0 -50.2 -52.5 -65.0 -5.8 -14.3 73 74 A A H < S+ 0 0 73 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.809 110.9 54.2 -68.3 -30.7 -65.8 -4.3 -17.8 74 75 A A H < S+ 0 0 81 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.810 117.5 35.0 -72.0 -32.2 -64.0 -1.1 -17.1 75 76 A L H >X S+ 0 0 64 -4,-1.6 3,-1.1 -3,-0.4 4,-0.7 0.459 90.5 95.9-102.5 -6.9 -60.7 -2.8 -16.2 76 77 A E G >< S+ 0 0 92 -4,-1.1 3,-1.2 1,-0.2 -1,-0.1 0.896 83.6 49.4 -52.1 -46.9 -60.9 -5.7 -18.6 77 78 A R G 34 S+ 0 0 237 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.592 99.4 63.8 -75.3 -14.7 -58.8 -4.1 -21.4 78 79 A D G <4 S- 0 0 92 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.703 89.6-154.4 -81.4 -20.7 -55.9 -3.1 -19.1 79 80 A G X< + 0 0 11 -3,-1.2 3,-1.4 -4,-0.7 4,-0.3 0.883 20.1 178.4 43.5 56.4 -55.4 -6.8 -18.5 80 81 A F G >> S+ 0 0 40 -5,-0.5 3,-1.8 1,-0.2 4,-0.9 0.771 72.4 73.1 -49.7 -28.9 -53.8 -6.4 -15.0 81 82 A V G 34 S+ 0 0 22 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.855 86.4 61.4 -63.2 -33.9 -53.5 -10.2 -14.9 82 83 A D G <4 S+ 0 0 114 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.560 116.5 31.0 -67.6 -8.8 -50.7 -10.2 -17.5 83 84 A R T <4 S+ 0 0 153 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.303 89.3 119.1-135.4 5.3 -48.4 -8.2 -15.2 84 85 A A S < S- 0 0 12 -4,-0.9 5,-0.1 -3,-0.4 131,-0.1 -0.438 81.0 -87.8 -59.2 143.8 -49.5 -9.3 -11.7 85 86 A D >> - 0 0 59 129,-0.2 4,-1.9 1,-0.1 3,-0.7 -0.332 38.7-126.8 -47.5 132.1 -47.0 -10.9 -9.4 86 87 A P H 3> S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 258,-0.2 0.748 109.4 62.9 -67.8 -22.2 -47.2 -14.6 -10.3 87 88 A G H 3> S+ 0 0 0 2,-0.2 4,-2.4 192,-0.2 259,-0.1 0.900 107.6 46.1 -59.7 -41.9 -47.8 -15.5 -6.6 88 89 A W H <> S+ 0 0 12 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.951 109.6 51.0 -60.7 -53.5 -50.9 -13.5 -7.0 89 90 A V H X S+ 0 0 27 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.934 112.9 49.0 -49.3 -46.5 -52.0 -15.1 -10.4 90 91 A S H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.940 105.5 56.6 -59.0 -51.0 -51.5 -18.4 -8.6 91 92 A T H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.865 110.3 45.9 -47.2 -40.3 -53.6 -17.2 -5.6 92 93 A M H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.939 109.7 51.6 -74.1 -43.4 -56.5 -16.5 -8.0 93 94 A Q H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.911 112.6 46.3 -59.3 -48.9 -56.3 -19.8 -9.9 94 95 A L H X S+ 0 0 8 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.948 112.8 51.4 -54.2 -48.2 -56.3 -21.8 -6.6 95 96 A H H X S+ 0 0 16 -4,-2.2 4,-1.7 -5,-0.3 5,-0.3 0.967 112.3 44.5 -57.3 -58.0 -59.3 -19.7 -5.3 96 97 A F H X S+ 0 0 6 -4,-2.8 4,-1.7 1,-0.2 5,-0.3 0.898 115.4 46.2 -55.5 -48.2 -61.5 -20.2 -8.4 97 98 A G H < S+ 0 0 2 -4,-2.1 64,-0.4 1,-0.2 4,-0.3 0.951 118.3 41.5 -61.0 -49.5 -60.8 -24.0 -8.8 98 99 A A H < S+ 0 0 7 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.739 127.4 28.8 -71.1 -20.7 -61.4 -24.8 -5.1 99 100 A I H X S+ 0 0 22 -4,-1.7 4,-3.6 -5,-0.2 5,-0.3 0.843 94.7 75.4-115.1 -44.8 -64.4 -22.5 -4.6 100 101 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.3 5,-0.1 0.867 107.8 34.0 -42.7 -62.2 -66.7 -21.8 -7.7 101 102 A L H > S+ 0 0 2 56,-0.4 4,-2.4 -4,-0.3 -1,-0.3 0.815 116.6 55.6 -69.5 -27.9 -68.5 -25.1 -7.8 102 103 A E H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.937 107.0 51.1 -70.3 -41.5 -68.5 -25.5 -4.0 103 104 A E H X S+ 0 0 20 -4,-3.6 4,-0.6 2,-0.2 34,-0.3 0.910 111.9 47.4 -53.9 -43.8 -70.2 -22.1 -3.7 104 105 A Y H >X S+ 0 0 3 -4,-1.7 3,-1.2 -5,-0.3 4,-0.6 0.901 109.0 53.0 -69.8 -36.8 -72.8 -23.3 -6.3 105 106 A A H >X S+ 0 0 6 -4,-2.4 4,-1.8 1,-0.2 3,-1.7 0.898 96.4 69.6 -61.6 -34.3 -73.2 -26.6 -4.4 106 107 A A H 3X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.788 87.9 65.5 -57.7 -22.5 -73.8 -24.4 -1.3 107 108 A S H - 0 0 2 1,-0.1 4,-2.0 -76,-0.0 3,-0.2 -0.706 68.1-154.6 -76.8 112.6 -88.3 -23.1 11.8 120 121 A P H > S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.830 94.9 53.0 -59.5 -33.9 -90.2 -20.9 9.3 121 122 A G H > S+ 0 0 1 -75,-0.3 4,-2.5 1,-0.2 5,-0.2 0.909 107.9 51.0 -69.6 -39.3 -87.7 -18.1 9.6 122 123 A N H > S+ 0 0 3 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 107.0 55.4 -57.7 -38.8 -85.0 -20.5 8.9 123 124 A R H X 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0.827 85.4 60.5 -59.1 -29.7 -55.3 -23.4 -15.6 154 155 A W G X4 S+ 0 0 5 -3,-1.0 3,-1.2 1,-0.3 4,-0.3 0.723 89.4 69.1 -69.0 -27.0 -58.2 -21.0 -15.7 155 156 A D G X> S+ 0 0 4 -3,-1.5 4,-1.9 -4,-0.3 3,-1.6 0.770 85.8 72.3 -59.7 -20.5 -60.4 -23.8 -17.2 156 157 A W H < S+ 0 0 59 -4,-1.9 3,-1.7 1,-0.2 4,-0.2 0.785 87.5 83.5 -89.8 -25.6 -63.2 -28.3 -14.1 160 161 A A G >< S+ 0 0 0 -4,-2.5 3,-2.5 1,-0.3 5,-0.4 0.830 91.3 45.7 -47.8 -58.6 -61.5 -28.8 -10.7 161 162 A I G 3 S+ 0 0 3 -64,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 0.610 107.9 62.5 -68.2 -11.3 -64.3 -30.2 -8.6 162 163 A H G < S+ 0 0 55 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.387 97.9 76.3 -86.9 -2.5 -65.0 -32.6 -11.5 163 164 A T S < S- 0 0 2 -3,-2.5 307,-0.1 -4,-0.2 308,-0.1 -0.588 79.3-129.6-109.1 169.3 -61.6 -34.1 -11.2 164 165 A N + 0 0 37 305,-0.4 306,-0.1 -2,-0.2 307,-0.1 0.102 59.5 139.3-100.6 22.5 -59.9 -36.6 -8.9 165 166 A E > - 0 0 0 305,-0.4 4,-1.8 -5,-0.4 3,-0.3 -0.388 64.8-115.8 -62.2 143.8 -57.0 -34.2 -8.3 166 167 A W H > S+ 0 0 31 174,-0.3 4,-2.3 1,-0.3 5,-0.1 0.814 112.6 51.8 -63.4 -35.2 -56.1 -34.5 -4.6 167 168 A A H > S+ 0 0 10 173,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.953 109.7 51.2 -66.0 -43.3 -56.9 -31.0 -3.7 168 169 A A H > S+ 0 0 1 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.859 109.3 49.7 -59.1 -42.8 -60.4 -31.4 -5.3 169 170 A I H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.914 110.9 50.8 -61.9 -44.2 -61.0 -34.6 -3.3 170 171 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 230,-0.2 -2,-0.2 0.956 111.0 48.9 -57.9 -50.3 -60.0 -32.8 -0.1 171 172 A A H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.966 114.4 43.2 -53.0 -61.0 -62.4 -30.0 -1.0 172 173 A R H X S+ 0 0 11 -4,-2.9 4,-2.1 1,-0.3 5,-0.4 0.822 109.8 59.6 -54.3 -32.5 -65.4 -32.4 -1.7 173 174 A S H X S+ 0 0 3 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.3 0.948 111.5 39.0 -64.6 -42.8 -64.4 -34.3 1.3 174 175 A F H X S+ 0 0 3 -4,-2.3 4,-2.6 -3,-0.5 -2,-0.2 0.988 120.2 42.0 -70.4 -57.5 -64.9 -31.2 3.4 175 176 A W H X>S+ 0 0 17 -4,-2.6 4,-3.0 1,-0.2 5,-1.2 0.917 112.3 52.3 -59.6 -48.2 -68.0 -29.7 1.8 176 177 A D H <>S+ 0 0 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L H X S+ 0 0 80 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.959 111.6 43.3 -57.4 -52.8 -62.4 -9.5 4.0 206 207 A G H X S+ 0 0 24 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.847 110.4 55.3 -64.6 -38.3 -58.7 -10.2 4.2 207 208 A L H X S+ 0 0 16 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.855 107.6 48.9 -67.8 -36.5 -58.5 -11.6 0.7 208 209 A A H X S+ 0 0 13 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.836 110.0 52.2 -64.1 -39.6 -60.1 -8.4 -0.7 209 210 A A H >X S+ 0 0 61 -4,-1.6 4,-2.4 2,-0.2 3,-0.6 0.978 112.4 46.4 -59.2 -53.0 -57.6 -6.3 1.3 210 211 A D H 3X S+ 0 0 33 -4,-2.7 4,-1.6 1,-0.3 -2,-0.2 0.799 109.0 53.7 -55.4 -40.7 -54.8 -8.4 -0.2 211 212 A A H 3<>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 -1,-0.3 0.839 110.1 48.3 -66.8 -32.6 -56.1 -8.2 -3.7 212 213 A A H X<5S+ 0 0 42 -4,-1.5 3,-1.8 -3,-0.6 -2,-0.2 0.918 107.4 53.6 -77.2 -43.2 -56.2 -4.4 -3.4 213 214 A E H 3<5S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.8 54.9 -54.0 -31.3 -52.7 -4.3 -2.1 214 215 A A T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -129,-0.2 0.529 117.9-114.1 -82.8 -3.0 -51.7 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2,-0.2 -1,-0.2 0.954 111.5 45.7 -64.0 -46.4 -45.9 -24.7 6.9 329 330 A G H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.932 110.5 51.5 -53.2 -53.5 -46.2 -28.4 6.4 330 331 A M H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.848 112.2 48.3 -56.5 -36.1 -49.1 -28.0 4.0 331 332 A H H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.883 111.0 47.7 -72.1 -44.8 -47.1 -25.5 2.0 332 333 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.921 112.5 51.5 -62.5 -43.9 -44.0 -27.6 1.8 333 334 A G H X S+ 0 0 5 -4,-3.1 4,-2.7 -5,-0.2 -2,-0.2 0.949 113.0 44.6 -53.8 -51.5 -46.2 -30.5 0.7 334 335 A V H < S+ 0 0 3 -4,-2.2 6,-0.2 -5,-0.2 -2,-0.2 0.919 116.7 44.3 -65.7 -44.7 -47.9 -28.4 -2.0 335 336 A W H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.959 114.7 48.3 -65.0 -50.3 -44.6 -26.9 -3.3 336 337 A Y H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.909 120.6 37.6 -56.2 -45.8 -42.7 -30.2 -3.2 337 338 A W T >< S+ 0 0 18 -4,-2.7 3,-2.8 -5,-0.2 -1,-0.3 -0.028 80.4 139.3 -91.5 26.5 -45.6 -32.0 -5.1 338 339 A R G X + 0 0 0 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349 A G + 0 0 3 -69,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.855 43.6 118.6 63.4 37.7 -41.4 -18.0 -0.7 349 350 A V + 0 0 0 4,-0.1 -1,-0.1 23,-0.0 -71,-0.0 -0.067 27.6 137.5-127.2 34.5 -38.0 -18.9 1.0 350 351 A S S > S- 0 0 16 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.227 72.4 -96.5 -61.7 165.5 -35.6 -16.2 -0.2 351 352 A P H > S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.942 127.4 45.0 -52.6 -51.9 -33.2 -14.8 2.5 352 353 A E H >> S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.947 113.6 50.1 -58.9 -48.5 -35.5 -11.8 3.2 353 354 A E H 3> S+ 0 0 28 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.913 108.4 54.6 -57.4 -40.1 -38.6 -14.0 3.3 354 355 A R H 3X S+ 0 0 24 -4,-3.1 4,-1.0 1,-0.2 -1,-0.3 0.774 105.3 49.7 -71.3 -25.9 -36.8 -16.4 5.7 355 356 A E H X S+ 0 0 22 -4,-1.9 4,-2.5 2,-0.2 3,-0.5 0.955 108.6 51.6 -60.9 -51.7 -39.7 -12.6 8.1 357 358 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 7,-0.2 0.808 109.9 50.6 -56.8 -28.4 -40.7 -16.2 8.7 358 359 A E H 3< S+ 0 0 58 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.795 108.5 50.3 -85.5 -30.6 -38.3 -16.4 11.7 359 360 A E H << S+ 0 0 141 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.885 117.9 39.9 -62.5 -48.5 -39.8 -13.2 13.3 360 361 A K H < S+ 0 0 45 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.850 131.5 25.8 -75.2 -33.8 -43.3 -14.5 12.9 361 362 A Y S >< S- 0 0 6 -4,-1.9 3,-2.2 -5,-0.3 -1,-0.3 -0.748 78.3-150.5-134.2 87.1 -42.4 -18.1 13.9 362 363 A P T 3 S+ 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.362 87.6 33.4 -56.7 125.0 -39.3 -18.4 16.1 363 364 A G T >> S+ 0 0 18 -2,-0.1 4,-0.7 -5,-0.1 3,-0.6 0.083 81.6 119.9 112.2 -18.4 -37.7 -21.8 15.3 364 365 A W G X4>S+ 0 0 3 -3,-2.2 5,-3.5 1,-0.2 3,-1.0 0.873 75.1 43.6 -43.6 -53.6 -38.7 -21.8 11.7 365 366 A N G 345S+ 0 0 33 1,-0.2 5,-0.3 3,-0.2 -1,-0.2 0.806 113.3 50.7 -70.0 -29.8 -35.1 -22.0 10.3 366 367 A D G <45S+ 0 0 97 -3,-0.6 43,-2.1 3,-0.2 -1,-0.2 0.346 129.5 20.0 -94.1 8.7 -34.0 -24.6 12.7 367 368 A T T XX5S+ 0 0 8 -3,-1.0 3,-1.1 -4,-0.7 4,-0.7 0.267 139.4 18.8-123.8 -90.4 -37.1 -26.8 11.8 368 369 A W H >>5S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.846 119.4 66.3 -49.0 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-1,-0.2 0.819 62.3 73.0 -67.6 -27.2 -33.5 -30.0 -9.8 385 386 A E G > S+ 0 0 113 1,-0.3 3,-0.7 -3,-0.2 -6,-0.1 0.628 88.4 61.6 -55.2 -16.8 -34.7 -33.6 -10.0 386 387 A L G < S+ 0 0 40 -3,-1.9 -1,-0.3 1,-0.2 -7,-0.1 0.489 94.4 64.1 -93.2 -3.2 -34.3 -34.0 -6.2 387 388 A T G < S+ 0 0 0 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.264 96.0 63.6 -99.5 5.3 -36.9 -31.3 -5.6 388 389 A V S < S- 0 0 51 -3,-0.7 -51,-0.1 -4,-0.1 2,-0.1 -0.917 89.4-105.9-125.5 155.1 -39.8 -33.2 -7.3 389 390 A P - 0 0 23 0, 0.0 -2,-0.1 0, 0.0 463,-0.0 -0.444 19.4-166.6 -96.9 158.6 -41.2 -36.5 -5.9 390 391 A E S S+ 0 0 92 -2,-0.1 2,-0.3 462,-0.1 73,-0.1 0.214 78.1 32.1-116.0 12.5 -41.0 -40.1 -6.8 391 392 A T S S- 0 0 11 461,-0.1 443,-0.1 71,-0.1 71,-0.0 -0.927 82.6 -97.1-152.8 176.2 -43.8 -41.3 -4.5 392 393 A L - 0 0 23 -2,-0.3 441,-1.9 441,-0.2 2,-0.2 -0.634 36.0-124.4 -92.9 159.5 -47.0 -40.3 -2.9 393 394 A P B -A 832 0A 16 0, 0.0 2,-0.3 0, 0.0 439,-0.3 -0.633 37.3 -89.0 -94.3 162.5 -47.2 -39.0 0.6 394 395 A T - 0 0 1 437,-2.6 9,-1.8 -2,-0.2 2,-0.4 -0.605 45.9-146.5 -70.9 126.9 -49.4 -40.5 3.3 395 396 A I B -F 402 0B 15 -2,-0.3 31,-0.2 7,-0.2 2,-0.2 -0.782 15.3-115.6 -95.8 136.1 -52.9 -38.9 3.1 396 397 A C > - 0 0 0 5,-3.6 4,-1.4 -2,-0.4 31,-0.2 -0.503 18.7-140.1 -63.1 132.3 -55.1 -38.4 6.2 397 398 A N T 4 S+ 0 0 9 29,-3.3 -1,-0.1 -2,-0.2 30,-0.1 0.402 97.7 41.0 -75.1 3.2 -58.3 -40.5 5.9 398 399 A M T 4 S+ 0 0 2 28,-0.2 -1,-0.1 3,-0.2 29,-0.1 0.707 127.9 22.8-112.0 -62.5 -60.4 -37.7 7.3 399 400 A C T 4 S- 0 0 6 2,-0.1 -2,-0.2 1,-0.0 -225,-0.2 0.582 91.1-133.6 -87.5 -7.7 -59.2 -34.5 5.8 400 401 A N < + 0 0 6 -4,-1.4 -230,-0.2 1,-0.2 -3,-0.1 0.862 66.0 121.1 62.9 33.8 -57.6 -36.1 2.7 401 402 A L S S- 0 0 2 -231,-0.1 -5,-3.6 -5,-0.1 -1,-0.2 -0.881 72.4 -84.1-125.2 153.8 -54.4 -33.9 3.2 402 403 A P B -F 395 0B 11 0, 0.0 2,-0.8 0, 0.0 -7,-0.2 -0.250 39.2-119.1 -61.1 150.7 -50.8 -35.1 3.7 403 404 A I + 0 0 1 -9,-1.8 428,-1.8 428,-0.3 2,-0.3 -0.851 58.4 138.4 -93.0 107.4 -49.8 -36.0 7.2 404 405 A A B +G 830 0C 18 -2,-0.8 2,-0.2 426,-0.2 426,-0.2 -0.841 14.6 144.2-143.1 176.3 -47.0 -33.6 7.9 405 406 A H - 0 0 30 424,-1.9 8,-0.2 -2,-0.3 6,-0.1 -0.846 54.7 -0.9-178.9-142.3 -45.7 -31.5 10.7 406 407 A T + 0 0 7 6,-0.3 6,-2.6 -2,-0.2 7,-0.3 -0.643 57.8 177.5 -80.5 119.0 -42.5 -30.2 12.3 407 408 A P > + 0 0 0 0, 0.0 3,-1.0 0, 0.0 421,-0.2 -0.043 41.0 35.9 -94.4-160.8 -39.3 -31.4 10.7 408 409 A G G > S- 0 0 1 419,-2.2 3,-1.7 1,-0.2 -41,-0.2 -0.047 116.4 -0.9 58.6-143.1 -35.6 -30.6 11.5 409 410 A N G 3 S+ 0 0 82 -43,-2.1 -1,-0.2 1,-0.3 -42,-0.2 0.565 140.5 39.0 -69.3 -5.8 -34.1 -29.9 14.9 410 411 A K G < S- 0 0 151 -3,-1.0 -1,-0.3 -44,-0.2 -2,-0.1 -0.237 84.4-175.1-133.5 42.7 -37.5 -30.4 16.7 411 412 A W < + 0 0 50 -3,-1.7 418,-0.1 1,-0.1 -3,-0.1 -0.134 18.0 154.2 -40.8 125.8 -38.9 -33.3 14.6 412 413 A N + 0 0 72 -6,-2.6 2,-0.6 2,-0.0 -6,-0.3 -0.100 6.6 150.6-153.4 39.2 -42.4 -34.2 15.6 413 414 A V - 0 0 2 -7,-0.3 2,-0.3 415,-0.2 -8,-0.1 -0.689 23.7-178.5 -84.3 120.0 -44.4 -35.8 12.7 414 415 A K - 0 0 100 -2,-0.6 2,-0.4 -10,-0.2 417,-0.1 -0.873 22.5-150.1-121.0 154.6 -47.0 -38.2 14.1 415 416 A D - 0 0 9 -2,-0.3 2,-1.2 456,-0.1 13,-0.2 -0.996 8.2-152.3-123.0 126.4 -49.6 -40.6 12.6 416 417 A Y - 0 0 55 11,-2.7 13,-0.2 -2,-0.4 12,-0.0 -0.619 29.8-170.4-101.1 72.6 -52.8 -41.2 14.5 417 418 A Q - 0 0 4 -2,-1.2 2,-0.3 9,-0.1 9,-0.2 -0.128 11.8-171.1 -73.5 158.2 -53.5 -44.7 13.2 418 419 A L E -H 425 0D 24 7,-2.1 7,-3.9 2,-0.1 2,-0.5 -0.928 15.4-154.9-153.0 128.7 -56.6 -46.7 13.6 419 420 A E E +H 424 0D 105 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.896 26.4 167.6 -96.3 123.5 -57.5 -50.3 12.8 420 421 A Y E > -H 423 0D 62 3,-2.7 3,-0.6 -2,-0.5 -2,-0.1 -0.954 65.1 -15.2-146.1 118.2 -61.2 -50.7 12.4 421 422 A E T 3 S- 0 0 141 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.905 129.5 -47.3 52.6 49.2 -63.0 -53.7 10.9 422 423 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.659 117.2 104.2 75.1 17.6 -59.8 -55.2 9.4 423 424 A R E < -H 420 0D 61 -3,-0.6 -3,-2.7 466,-0.0 2,-0.6 -0.987 63.4-134.6-133.8 140.9 -58.5 -52.0 7.8 424 425 A L E -H 419 0D 18 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.854 22.5-166.4 -92.6 118.6 -55.8 -49.6 8.8 425 426 A Y E -H 418 0D 7 -7,-3.9 -7,-2.1 -2,-0.6 2,-0.4 -0.808 8.7-144.0-104.7 152.9 -56.6 -45.9 8.6 426 427 A H - 0 0 5 -2,-0.3 -29,-3.3 -31,-0.2 2,-0.4 -0.903 14.4-169.3-111.7 136.3 -54.2 -43.0 8.8 427 428 A F - 0 0 0 -2,-0.4 -11,-2.7 -31,-0.2 -31,-0.1 -0.996 23.6-147.9-135.9 138.2 -54.9 -39.6 10.5 428 429 A G S S+ 0 0 17 -2,-0.4 2,-0.3 -13,-0.2 -24,-0.2 0.370 83.2 4.3 -77.3 0.5 -53.0 -36.3 10.4 429 430 A S S > S- 0 0 9 -13,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.969 78.0 -98.2-176.2 165.8 -54.0 -35.4 14.0 430 431 A E H > S+ 0 0 86 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.870 122.4 51.0 -66.0 -37.8 -55.8 -36.6 17.1 431 432 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.872 105.5 53.0 -67.7 -44.2 -58.9 -34.6 16.0 432 433 A D H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.934 112.8 46.1 -60.6 -46.5 -59.0 -36.0 12.5 433 434 A R H X S+ 0 0 51 -4,-1.8 4,-2.4 1,-0.2 3,-0.3 0.920 111.2 52.4 -61.2 -39.7 -59.0 -39.5 14.0 434 435 A W H X S+ 0 0 51 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 101.0 60.5 -68.8 -38.0 -61.6 -38.5 16.6 435 436 A C H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.864 110.1 43.3 -47.5 -46.3 -64.0 -37.2 13.8 436 437 A F H >< S+ 0 0 2 -4,-1.3 3,-1.6 -3,-0.3 -2,-0.2 0.932 110.4 55.3 -65.2 -54.3 -64.0 -40.7 12.4 437 438 A Q H 3< S+ 0 0 103 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.836 104.0 52.4 -54.1 -38.4 -64.4 -42.5 15.7 438 439 A I T 3< S+ 0 0 58 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.674 131.3 14.6 -70.1 -14.8 -67.5 -40.7 16.8 439 440 A D X + 0 0 53 -3,-1.6 3,-1.8 -4,-0.3 4,-0.4 -0.299 69.6 160.3-159.6 58.0 -69.3 -41.6 13.5 440 441 A P G >> + 0 0 24 0, 0.0 4,-2.1 0, 0.0 3,-1.2 0.762 69.4 67.8 -62.1 -28.4 -67.4 -44.3 11.7 441 442 A E G 34 S+ 0 0 102 1,-0.3 95,-0.2 2,-0.2 4,-0.2 0.645 96.8 59.0 -66.7 -13.8 -70.4 -45.4 9.5 442 443 A R G <4 S+ 0 0 16 -3,-1.8 92,-2.4 -6,-0.2 -1,-0.3 0.717 122.0 18.1 -84.6 -23.4 -70.1 -42.0 7.8 443 444 A Y T X4 S+ 0 0 12 -3,-1.2 3,-2.1 -4,-0.4 -2,-0.2 0.543 92.0 109.0-124.1 -13.4 -66.5 -42.4 6.6 444 445 A K T 3< S+ 0 0 42 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.773 84.6 30.9 -51.1 -54.5 -65.8 -46.1 6.8 445 446 A N T 3 S+ 0 0 46 -4,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.289 89.8 116.3 -94.7 13.0 -65.7 -47.2 3.1 446 447 A H < - 0 0 10 -3,-2.1 2,-0.4 -49,-0.1 88,-0.1 -0.456 50.7-154.4 -72.7 154.1 -64.3 -44.1 1.7 447 448 A T - 0 0 12 -2,-0.1 2,-0.1 86,-0.1 -2,-0.1 -0.999 2.9-144.6-133.0 135.1 -60.9 -44.3 0.1 448 449 A N > - 0 0 2 -2,-0.4 4,-2.6 -53,-0.1 5,-0.1 -0.402 41.5 -89.5 -88.2 172.8 -58.3 -41.7 -0.3 449 450 A L H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.782 127.8 51.5 -49.3 -41.9 -56.0 -41.4 -3.2 450 451 A V H > S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.942 109.2 50.9 -65.1 -53.0 -53.3 -43.6 -1.6 451 452 A D H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.938 112.4 47.7 -41.0 -56.1 -55.9 -46.3 -0.8 452 453 A R H <>S+ 0 0 17 -4,-2.6 5,-2.4 2,-0.2 6,-0.6 0.923 111.5 49.4 -57.2 -50.6 -57.0 -46.1 -4.5 453 454 A F H ><5S+ 0 0 38 -4,-2.9 3,-1.3 1,-0.2 5,-0.3 0.926 113.4 46.5 -49.1 -54.7 -53.4 -46.4 -5.7 454 455 A L H 3<5S+ 0 0 67 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.677 108.2 57.4 -65.3 -22.5 -52.7 -49.3 -3.4 455 456 A K T 3<5S- 0 0 141 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.347 116.3-107.4 -91.7 1.1 -55.9 -51.1 -4.5 456 457 A G T < 5S+ 0 0 34 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.620 85.3 123.6 83.8 10.7 -55.1 -51.1 -8.2 457 458 A E < + 0 0 88 -5,-2.4 2,-0.5 -6,-0.2 -4,-0.2 0.684 61.8 66.9 -81.1 -16.8 -57.6 -48.4 -9.0 458 459 A I S S- 0 0 1 -6,-0.6 8,-0.1 -5,-0.3 -2,-0.1 -0.931 83.6-144.8-106.8 122.3 -55.0 -46.2 -10.6 459 460 A Q S S+ 0 0 122 -2,-0.5 2,-0.2 6,-0.2 -6,-0.0 -0.996 83.5 36.7-144.8 134.4 -53.6 -47.7 -13.8 460 461 A P S S- 0 0 83 0, 0.0 2,-1.1 0, 0.0 -4,-0.0 0.683 95.7-137.0 -55.2 157.1 -50.9 -47.6 -15.0 461 462 A A + 0 0 54 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.423 69.1 83.9 -96.6 58.1 -49.9 -47.9 -11.3 462 463 A D S > S- 0 0 80 -2,-1.1 4,-2.0 -71,-0.0 3,-0.3 -0.807 97.1 -79.2-144.2-174.3 -47.1 -45.3 -11.4 463 464 A L H > S+ 0 0 66 -2,-0.3 4,-1.4 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4,-3.4 2,-0.2 5,-0.3 0.903 107.3 55.0 -67.1 -36.2 -95.1 -24.1 -3.4 621 136 B Q H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.954 110.7 44.2 -58.3 -49.1 -91.9 -22.4 -2.3 622 137 B M H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.906 113.3 53.2 -57.2 -46.5 -91.0 -25.6 -0.4 623 138 B G H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.930 113.5 40.1 -53.9 -50.4 -92.1 -27.7 -3.4 624 139 B S H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.877 111.2 57.4 -74.7 -30.8 -89.9 -25.8 -5.9 625 140 B V H X S+ 0 0 1 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.813 104.7 53.5 -71.4 -25.8 -87.0 -25.7 -3.5 626 141 B Y H X S+ 0 0 6 -4,-1.7 4,-0.8 -5,-0.2 3,-0.5 0.933 103.8 54.3 -72.0 -38.2 -87.1 -29.4 -3.2 627 142 B I H >X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 3,-1.6 0.958 103.8 59.5 -59.6 -44.4 -86.9 -29.8 -7.0 628 143 B H H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.891 106.0 44.8 -40.3 -52.0 -83.8 -27.7 -6.9 629 144 B Q H 3< S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.478 120.2 37.1 -88.6 0.3 -81.9 -30.0 -4.6 630 145 B I H << S+ 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0.923 112.6 52.9 -65.0 -48.5 -104.4 -32.4 0.4 690 205 B L H X S+ 0 0 0 -4,-2.0 4,-2.7 90,-0.3 -2,-0.2 0.948 116.5 39.7 -51.8 -48.1 -102.9 -32.0 -3.1 691 206 B I H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.914 112.5 52.5 -77.6 -41.7 -100.0 -30.0 -1.7 692 207 B E H < S+ 0 0 0 -4,-3.0 4,-0.4 -5,-0.2 -1,-0.2 0.928 116.5 42.2 -56.6 -42.0 -99.3 -32.1 1.4 693 208 B K H >< S+ 0 0 78 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.941 113.6 49.3 -72.8 -46.7 -99.2 -35.2 -0.7 694 209 B A H >< S+ 0 0 3 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.2 0.781 100.7 68.6 -63.8 -24.9 -97.2 -33.8 -3.6 695 210 B L T 3< S+ 0 0 7 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.709 99.8 48.5 -68.9 -16.5 -94.7 -32.4 -0.9 696 211 B I T < S+ 0 0 40 -3,-1.7 2,-1.0 -4,-0.4 -1,-0.3 0.248 76.9 110.5-108.1 15.4 -93.7 -36.0 -0.2 697 212 B A < + 0 0 8 -3,-1.5 9,-0.1 1,-0.2 -3,-0.0 -0.756 44.8 179.5 -81.4 102.6 -93.1 -37.2 -3.8 698 213 B W + 0 0 32 -2,-1.0 -1,-0.2 4,-0.1 2,-0.0 0.779 43.1 102.5 -86.6 -24.4 -89.3 -37.5 -3.6 699 214 B D S > S- 0 0 19 1,-0.1 4,-3.5 4,-0.1 5,-0.2 -0.342 74.7-131.3 -60.8 132.3 -88.5 -38.7 -7.0 700 215 B W H > S+ 0 0 2 -154,-2.6 4,-3.1 1,-0.2 5,-0.2 0.910 104.1 43.7 -56.9 -42.5 -87.2 -35.8 -9.0 701 216 B G H > S+ 0 0 0 -155,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.850 114.8 48.5 -73.7 -33.5 -89.4 -36.4 -12.0 702 217 B E H > S+ 0 0 24 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.912 111.7 51.0 -74.5 -32.9 -92.4 -37.1 -10.0 703 218 B A H X>S+ 0 0 2 -4,-3.5 4,-3.1 2,-0.2 5,-0.6 0.978 110.3 49.1 -64.4 -53.7 -91.7 -34.0 -8.0 704 219 B F H X>S+ 0 0 1 -4,-3.1 4,-1.9 -5,-0.2 5,-1.1 0.913 117.2 41.8 -44.7 -49.9 -91.4 -31.9 -11.2 705 220 B T H X>S+ 0 0 0 -4,-2.3 5,-1.3 3,-0.2 4,-0.9 0.958 116.7 45.3 -68.3 -51.4 -94.7 -33.3 -12.5 706 221 B A H <>S+ 0 0 0 -4,-3.0 5,-2.4 3,-0.2 -2,-0.2 0.857 127.0 29.6 -61.2 -39.8 -96.7 -33.2 -9.3 707 222 B I H <>S+ 0 0 3 -4,-3.1 5,-2.5 -5,-0.3 -3,-0.2 0.921 132.0 27.5 -87.1 -53.4 -95.5 -29.6 -8.5 708 223 B N H < S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.893 115.1 44.9 -50.5 -42.9 -101.5 -25.1 -13.1 714 229 B A H X S+ 0 0 1 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