==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-AUG-99 1CY6 . COMPND 2 MOLECULE: DNA TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.FEINBERG,A.CHANGELA,A.MONDRAGON . 562 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 0 1 1 1 2 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 3 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 G 0 0 91 0, 0.0 2,-0.3 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 -29.3 28.1 33.2 72.1 2 3 A K E -a 81 0A 112 78,-0.7 80,-1.9 23,-0.0 81,-0.3 -0.916 360.0-112.8-125.8 151.8 29.1 34.2 68.6 3 4 A A E - b 0 24A 14 20,-2.8 22,-2.2 -2,-0.3 2,-0.7 -0.519 16.7-143.2 -83.4 145.3 30.6 32.5 65.5 4 5 A L E -ab 84 25A 2 79,-2.4 81,-2.1 -2,-0.2 2,-0.5 -0.900 15.9-168.8-109.7 104.0 34.1 33.1 64.2 5 6 A V E -ab 85 26A 0 20,-1.0 22,-2.0 -2,-0.7 2,-0.5 -0.816 6.8-160.3 -94.8 128.1 34.3 33.0 60.3 6 7 A I E +ab 86 27A 0 79,-3.0 81,-2.3 -2,-0.5 2,-0.2 -0.933 16.1 167.1-115.5 128.6 37.8 32.9 58.8 7 8 A V E - b 0 28A 0 20,-1.6 22,-1.0 -2,-0.5 81,-0.2 -0.671 39.1-117.7-122.0 179.5 38.7 33.8 55.2 8 9 A E S S+ 0 0 29 79,-0.3 23,-1.0 20,-0.3 20,-0.1 0.501 83.6 44.5-105.4 -0.2 42.1 34.5 53.8 9 10 A S > - 0 0 16 21,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.987 65.9-131.4-144.3 152.8 42.0 38.1 52.6 10 11 A P H > S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.954 111.9 52.3 -62.4 -48.4 40.8 41.5 53.7 11 12 A A H > S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.889 111.9 45.5 -54.6 -43.1 39.1 42.1 50.4 12 13 A K H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.824 110.2 55.4 -71.5 -30.3 37.2 38.8 50.7 13 14 A A H X S+ 0 0 14 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.858 104.4 53.6 -69.6 -36.6 36.4 39.6 54.4 14 15 A K H < S+ 0 0 137 -4,-2.3 3,-0.5 1,-0.2 4,-0.5 0.963 112.5 42.8 -62.6 -52.2 34.7 42.9 53.4 15 16 A T H >< S+ 0 0 8 -4,-1.6 3,-1.1 276,-0.3 -2,-0.2 0.870 111.6 51.7 -64.1 -41.6 32.4 41.3 50.9 16 17 A I H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.720 99.7 67.0 -71.1 -17.5 31.4 38.2 52.9 17 18 A N G >< S+ 0 0 80 -4,-1.0 3,-0.8 -3,-0.5 -1,-0.2 0.692 86.2 69.2 -73.9 -20.7 30.5 40.6 55.8 18 19 A K G < S+ 0 0 137 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.487 106.9 39.0 -75.8 -1.7 27.6 42.0 53.8 19 20 A Y G < S+ 0 0 74 -3,-1.1 2,-0.5 -4,-0.1 -1,-0.2 0.247 97.1 88.1-133.6 15.3 25.8 38.7 54.1 20 21 A L < - 0 0 20 -3,-0.8 6,-0.1 1,-0.1 -1,-0.1 -0.970 68.4-128.2-122.7 125.6 26.5 37.5 57.7 21 22 A G > - 0 0 43 -2,-0.5 3,-1.4 1,-0.1 -1,-0.1 0.299 36.5 -83.5 -57.8-175.0 24.5 38.5 60.7 22 23 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.817 123.2 63.1 -61.7 -35.4 25.3 39.9 64.1 23 24 A D T 3 S+ 0 0 87 -21,-0.1 -20,-2.8 2,-0.0 2,-0.4 0.508 91.6 81.6 -71.4 -5.2 26.3 36.5 65.5 24 25 A Y E < -b 3 0A 52 -3,-1.4 2,-0.4 -22,-0.2 -20,-0.2 -0.830 56.3-168.7-106.8 142.2 29.1 36.2 63.0 25 26 A V E -b 4 0A 48 -22,-2.2 -20,-1.0 -2,-0.4 2,-0.2 -0.883 13.6-158.9-130.2 99.8 32.6 37.7 63.4 26 27 A V E +b 5 0A 13 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.514 14.4 173.0 -80.6 145.1 34.7 37.5 60.2 27 28 A K E -b 6 0A 67 -22,-2.0 -20,-1.6 -2,-0.2 2,-0.2 -0.966 18.8-145.0-153.8 133.1 38.5 37.7 60.2 28 29 A S E -b 7 0A 9 -2,-0.3 -20,-0.3 -22,-0.2 -19,-0.0 -0.621 9.6-145.8 -96.8 159.5 41.1 37.2 57.5 29 30 A S - 0 0 0 -22,-1.0 -21,-0.1 -2,-0.2 -20,-0.1 0.080 30.5-134.1-110.3 20.7 44.5 35.7 57.9 30 31 A V S S- 0 0 69 -23,-0.1 2,-0.3 40,-0.0 -21,-0.2 0.735 70.3 -26.4 28.2 47.3 46.2 38.0 55.3 31 32 A G S S- 0 0 27 -23,-1.0 2,-0.7 36,-0.0 -2,-0.1 -0.770 106.6 -18.8 125.2-170.9 48.0 35.0 53.8 32 33 A H - 0 0 95 -2,-0.3 32,-0.2 1,-0.2 3,-0.1 -0.686 46.0-168.3 -80.7 114.3 49.4 31.6 54.5 33 34 A I S S+ 0 0 6 -2,-0.7 31,-2.0 64,-0.2 2,-0.3 0.861 71.6 18.6 -69.8 -38.0 49.9 31.2 58.3 34 35 A R E S+D 63 0B 49 29,-0.3 2,-0.3 63,-0.1 29,-0.2 -0.971 70.6 132.9-137.8 151.2 51.9 28.0 58.1 35 36 A D E -D 62 0B 26 27,-1.1 27,-1.0 -2,-0.3 3,-0.1 -0.969 52.6 -53.0-174.3-178.0 54.0 26.2 55.4 36 37 A L S S- 0 0 0 -2,-0.3 25,-0.1 25,-0.2 14,-0.1 -0.332 75.3 -70.4 -71.7 157.4 57.3 24.4 54.6 37 38 A P 0 0 16 0, 0.0 -1,-0.2 0, 0.0 27,-0.0 -0.081 360.0 360.0 -52.1 144.4 60.7 26.1 55.2 38 39 A T 0 0 151 -3,-0.1 11,-0.0 0, 0.0 10,-0.0 -0.642 360.0 360.0 75.9 360.0 61.8 29.1 53.0 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 62 A D 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 49.9 69.9 6.5 51.6 41 63 A E - 0 0 85 13,-0.1 2,-0.4 11,-0.0 3,-0.1 -0.816 360.0-151.3-123.1 160.6 69.3 9.8 53.4 42 64 A R >> - 0 0 160 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.937 8.7-155.4-131.4 108.0 71.1 13.1 54.3 43 65 A G H 3> S+ 0 0 32 -2,-0.4 4,-2.0 1,-0.3 5,-0.2 0.827 98.7 61.7 -48.7 -33.4 69.9 15.0 57.4 44 66 A A H 3> S+ 0 0 41 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.952 108.2 41.8 -56.9 -51.2 71.3 18.0 55.7 45 67 A L H X> S+ 0 0 22 -3,-0.8 4,-2.5 2,-0.2 3,-0.6 0.963 110.9 53.8 -61.3 -58.8 68.9 17.6 52.9 46 68 A V H 3X>S+ 0 0 16 -4,-2.1 4,-4.1 1,-0.2 5,-0.8 0.885 106.5 52.8 -44.5 -51.9 65.8 16.7 54.9 47 69 A N H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.7 45.1 -55.4 -42.7 66.1 19.8 57.1 48 70 A R H <<5S+ 0 0 136 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.905 118.3 42.8 -69.7 -42.5 66.2 22.1 54.1 49 71 A M H <5S- 0 0 0 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.912 96.4-142.8 -69.1 -44.1 63.3 20.4 52.3 50 72 A G T <5S+ 0 0 4 -4,-4.1 10,-1.8 -5,-0.3 2,-0.3 0.794 71.7 84.9 83.4 29.0 61.3 20.1 55.5 51 73 A V E < -E 59 0C 1 -5,-0.8 -1,-0.2 8,-0.2 8,-0.2 -0.919 68.3-142.7-160.1 132.9 59.9 16.7 54.5 52 74 A D E > > -E 58 0C 21 6,-2.2 5,-1.8 -2,-0.3 3,-1.4 -0.795 14.1-177.9-109.9 95.3 61.6 13.3 55.1 53 75 A P T 3 5S+ 0 0 8 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.458 84.8 54.6 -67.6 0.4 61.1 10.8 52.3 54 76 A W T 3 5S+ 0 0 57 1,-0.2 2,-0.1 4,-0.1 -13,-0.1 0.534 104.7 49.8-109.9 -12.7 63.0 8.1 54.3 55 77 A H T X 5S- 0 0 113 -3,-1.4 3,-1.0 3,-0.1 -3,-0.2 -0.534 132.2 -80.0-122.8 59.9 61.0 8.2 57.5 56 78 A N T 3 5S- 0 0 91 -3,-0.2 -2,-0.1 1,-0.2 475,-0.0 0.780 83.1 -62.7 44.4 42.8 57.6 7.9 55.9 57 79 A W T 3 - 0 0 39 -31,-2.0 3,-2.4 -32,-0.2 4,-0.4 -0.199 49.9 -55.3 -70.2 160.2 55.7 31.9 58.3 65 87 A P T 3 S- 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.031 118.5 -15.2 -36.3 123.4 57.9 35.1 58.4 66 88 A G T 3 S+ 0 0 68 1,-0.1 3,-0.3 -3,-0.1 4,-0.2 0.691 103.4 114.5 49.2 24.3 56.5 37.6 60.9 67 89 A K X> + 0 0 43 -3,-2.4 4,-1.7 1,-0.2 3,-0.9 0.517 41.8 97.0 -97.3 -7.0 53.1 35.9 61.0 68 90 A E H 3> S+ 0 0 104 -4,-0.4 4,-0.8 1,-0.3 -1,-0.2 0.662 79.5 59.0 -55.6 -17.4 53.5 34.9 64.6 69 91 A K H 3> S+ 0 0 155 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.873 102.9 47.8 -82.2 -39.3 51.4 38.0 65.5 70 92 A V H <> S+ 0 0 22 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.859 106.9 58.1 -68.6 -36.2 48.3 37.0 63.5 71 93 A V H X S+ 0 0 11 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.883 107.8 49.3 -58.8 -38.2 48.4 33.5 65.0 72 94 A S H X S+ 0 0 62 -4,-0.8 4,-1.2 -5,-0.2 -2,-0.2 0.929 109.1 49.7 -66.4 -48.6 48.2 35.3 68.4 73 95 A E H X S+ 0 0 99 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.777 111.8 50.5 -64.3 -27.2 45.2 37.4 67.4 74 96 A L H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 3,-0.3 0.924 100.7 58.7 -78.2 -46.9 43.3 34.4 66.1 75 97 A K H X S+ 0 0 113 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.872 108.1 47.2 -49.8 -44.0 43.7 32.1 69.1 76 98 A Q H X S+ 0 0 98 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.837 108.5 54.0 -69.9 -34.1 41.9 34.6 71.4 77 99 A L H < S+ 0 0 39 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.838 107.4 53.9 -68.1 -31.1 39.1 35.2 68.9 78 100 A A H >< S+ 0 0 5 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.854 104.0 52.1 -72.1 -37.9 38.5 31.5 68.8 79 101 A E H 3< S+ 0 0 154 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 109.8 49.3 -71.1 -28.5 38.1 31.0 72.6 80 102 A K T 3< S+ 0 0 161 -4,-1.2 -78,-0.7 -79,-0.0 -1,-0.2 0.484 103.1 86.5 -85.3 -2.7 35.5 33.8 72.8 81 103 A A E < -a 2 0A 10 -3,-0.8 -78,-0.2 -4,-0.1 3,-0.1 -0.660 65.8-152.6 -99.0 154.9 33.7 32.1 69.9 82 104 A D E S+ 0 0 114 -80,-1.9 2,-0.3 1,-0.3 -79,-0.2 0.842 82.9 10.9 -90.7 -42.1 31.2 29.3 70.0 83 105 A H E - 0 0 44 -81,-0.3 -79,-2.4 2,-0.0 2,-0.5 -0.965 68.7-138.3-137.1 152.6 31.9 27.7 66.6 84 106 A I E -ac 4 112A 2 27,-2.7 29,-1.6 -2,-0.3 2,-0.6 -0.954 14.3-161.2-119.8 117.4 34.6 28.2 64.1 85 107 A Y E -ac 5 113A 33 -81,-2.1 -79,-3.0 -2,-0.5 2,-0.9 -0.866 5.7-154.6-102.8 119.6 33.8 28.4 60.3 86 108 A L E +ac 6 114A 2 27,-2.8 29,-1.2 -2,-0.6 -79,-0.1 -0.793 18.5 171.7 -92.9 105.1 36.6 27.9 57.8 87 109 A A + 0 0 0 -81,-2.3 -79,-0.3 -2,-0.9 -1,-0.1 -0.272 19.3 147.0-110.9 47.6 35.5 29.7 54.6 88 110 A T - 0 0 3 1,-0.2 6,-0.1 6,-0.2 7,-0.0 -0.258 62.5 -68.8 -71.7 167.9 38.7 29.4 52.5 89 111 A D - 0 0 17 1,-0.1 -1,-0.2 27,-0.1 9,-0.1 -0.131 49.6-110.7 -57.1 159.4 38.3 29.0 48.7 90 112 A L S S+ 0 0 14 27,-0.4 -1,-0.1 -3,-0.1 28,-0.1 0.547 83.2 92.9 -72.7 -11.5 36.8 25.8 47.4 91 113 A D S > S- 0 0 18 1,-0.1 4,-1.6 3,-0.0 5,-0.2 -0.116 90.4 -96.6 -78.3 178.1 39.8 24.2 45.7 92 114 A R H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.923 123.3 55.0 -59.4 -47.9 42.4 21.7 47.1 93 115 A E H > S+ 0 0 74 1,-0.3 4,-1.8 2,-0.2 3,-0.2 0.900 110.0 49.0 -52.2 -42.7 44.9 24.4 48.0 94 116 A G H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.815 105.9 55.1 -68.0 -33.0 42.1 26.1 50.0 95 117 A E H X S+ 0 0 4 -4,-1.6 4,-1.2 -3,-0.3 -1,-0.2 0.769 109.5 49.9 -69.3 -27.3 41.2 22.8 51.7 96 118 A A H X S+ 0 0 5 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.880 107.7 51.1 -77.0 -41.5 44.8 22.6 52.8 97 119 A I H X S+ 0 0 26 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.761 108.9 52.0 -68.5 -25.8 44.9 26.2 54.1 98 120 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.889 106.6 54.7 -74.6 -40.8 41.8 25.6 56.2 99 121 A W H X S+ 0 0 41 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.900 107.0 50.3 -57.8 -44.2 43.5 22.5 57.6 100 122 A H H X S+ 0 0 13 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.882 106.3 54.7 -64.1 -38.8 46.5 24.6 58.7 101 123 A L H X S+ 0 0 5 -4,-1.4 4,-2.2 1,-0.2 5,-0.3 0.897 111.5 45.4 -62.2 -37.2 44.2 27.1 60.4 102 124 A R H X S+ 0 0 38 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.824 112.8 50.0 -74.0 -33.0 42.6 24.3 62.4 103 125 A E H < S+ 0 0 87 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.922 114.1 45.4 -70.5 -44.4 46.1 22.8 63.3 104 126 A V H < S+ 0 0 33 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.965 119.5 38.5 -62.6 -58.0 47.4 26.1 64.4 105 127 A I H < S- 0 0 25 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.946 97.0-171.1 -60.8 -49.4 44.4 27.1 66.5 106 128 A G < + 0 0 30 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.1 -0.265 27.8 115.2 85.7-175.9 43.8 23.6 67.8 107 129 A G S S- 0 0 62 -4,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.713 70.1 -22.3 110.4-162.9 40.9 22.3 69.8 108 130 A D > - 0 0 123 -2,-0.3 3,-3.9 1,-0.1 4,-0.4 -0.742 48.4-129.0 -95.3 134.7 38.3 19.7 69.0 109 131 A D G > S+ 0 0 102 -2,-0.4 3,-1.4 1,-0.3 26,-0.1 0.755 109.5 66.7 -43.8 -30.6 37.3 18.7 65.5 110 132 A A G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -27,-0.0 -3,-0.0 0.698 88.8 66.1 -67.7 -19.9 33.7 19.3 66.6 111 133 A R G < S+ 0 0 75 -3,-3.9 -27,-2.7 -28,-0.1 2,-0.3 0.671 97.5 70.5 -74.5 -17.7 34.5 23.0 67.0 112 134 A Y E < +c 84 0A 13 -3,-1.4 2,-0.3 -4,-0.4 -27,-0.2 -0.787 49.9 178.1-113.4 150.2 35.1 23.4 63.2 113 135 A S E -c 85 0A 18 -29,-1.6 -27,-2.8 -2,-0.3 2,-0.6 -0.985 19.6-145.0-139.3 142.4 33.0 23.4 60.0 114 136 A R E -c 86 0A 7 19,-2.8 -27,-0.2 -2,-0.3 2,-0.2 -0.934 20.2-164.2-115.8 107.9 34.3 23.9 56.4 115 137 A V - 0 0 1 -29,-1.2 2,-0.4 -2,-0.6 14,-0.1 -0.488 2.5-153.5 -86.8 159.1 31.8 25.8 54.3 116 138 A V + 0 0 78 12,-0.2 2,-0.3 -2,-0.2 -27,-0.1 -0.995 21.3 153.4-141.1 136.4 31.9 25.9 50.4 117 139 A F - 0 0 15 -2,-0.4 -27,-0.4 11,-0.0 3,-0.1 -0.985 32.7-149.4-155.6 151.4 30.7 28.4 47.8 118 140 A N S S+ 0 0 40 -2,-0.3 179,-2.8 1,-0.2 2,-0.2 0.145 86.9 22.5-111.5 19.3 31.6 29.4 44.3 119 141 A E S S- 0 0 24 177,-0.3 2,-1.2 2,-0.1 -1,-0.2 -0.832 77.5-119.8-176.4 140.0 30.6 33.0 44.4 120 142 A I + 0 0 0 170,-0.5 2,-0.3 175,-0.4 3,-0.1 -0.708 59.5 129.0 -95.8 89.5 30.1 35.5 47.3 121 143 A T > - 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0 0 62 -11,-2.4 4,-1.3 -2,-0.5 5,-0.2 -0.405 24.6-110.5 -82.1 164.2 67.0 30.0 25.1 491 521 A K H >> S+ 0 0 168 1,-0.2 4,-2.6 2,-0.2 3,-1.2 0.974 119.3 54.6 -57.8 -55.2 70.2 28.0 24.5 492 522 A M H 3> S+ 0 0 53 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.803 103.1 58.7 -49.1 -34.9 70.4 26.9 28.2 493 523 A G H 3> S+ 0 0 0 -14,-0.3 4,-1.8 -15,-0.2 -1,-0.3 0.883 108.9 42.0 -65.3 -38.7 66.8 25.6 27.8 494 524 A E H X S+ 0 0 11 -4,-1.3 4,-1.8 -5,-0.2 3,-0.6 0.964 114.8 42.3 -58.7 -51.9 70.3 16.4 29.8 500 530 A L H 3X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 8,-0.2 0.908 111.3 57.0 -61.2 -40.5 67.1 15.7 31.6 501 531 A E H 3< S+ 0 0 59 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.769 110.9 43.9 -62.1 -26.3 65.7 13.9 28.6 502 532 A E H << S+ 0 0 102 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.791 126.3 26.6 -92.1 -27.5 68.7 11.5 28.7 503 533 A N H < S+ 0 0 25 -4,-1.8 45,-0.2 -5,-0.2 -2,-0.2 0.402 127.4 39.5-115.8 1.0 68.9 10.8 32.5 504 534 A F X + 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 -0.322 63.5 151.8-144.2 54.3 65.3 11.3 33.6 505 535 A R H > S+ 0 0 183 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.902 74.6 50.8 -52.1 -49.3 63.2 9.8 30.8 506 536 A E H >4 S+ 0 0 78 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.912 110.5 48.6 -57.9 -46.9 60.3 9.0 33.1 507 537 A L H 34 S+ 0 0 24 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.2 0.819 114.4 45.9 -66.3 -30.2 60.1 12.4 34.5 508 538 A M H 3< S+ 0 0 0 -4,-1.9 2,-0.2 -8,-0.2 -1,-0.2 0.593 86.3 111.9 -89.3 -10.3 60.2 14.1 31.1 509 539 A N S+ 0 0 30 -2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.904 97.0 49.8 -63.0 -44.2 54.3 13.5 28.6 511 541 A D H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.958 110.5 51.7 -59.3 -49.3 52.1 10.5 29.2 512 542 A F H > S+ 0 0 108 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.811 107.9 47.9 -59.4 -36.8 53.6 9.9 32.7 513 543 A T H X S+ 0 0 10 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.814 112.1 52.0 -78.6 -22.0 53.2 13.3 34.1 514 544 A A H X S+ 0 0 18 -4,-1.4 4,-1.3 -3,-0.3 3,-0.3 0.857 106.4 53.2 -75.3 -34.3 49.6 13.3 32.9 515 545 A Q H X S+ 0 0 92 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.763 100.8 62.3 -70.8 -22.9 49.1 10.0 34.7 516 546 A M H X S+ 0 0 33 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.882 99.1 54.8 -69.2 -33.7 50.5 11.6 37.8 517 547 A E H X S+ 0 0 3 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.905 107.3 49.0 -64.8 -40.4 47.5 14.1 37.7 518 548 A N H X S+ 0 0 73 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.883 108.6 54.9 -64.9 -36.3 45.1 11.1 37.6 519 549 A S H X S+ 0 0 26 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.923 107.5 49.1 -62.6 -42.8 47.0 9.6 40.6 520 550 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.875 109.9 51.2 -65.0 -36.4 46.5 12.9 42.6 521 551 A D H X S+ 0 0 34 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.902 105.8 56.2 -66.0 -39.8 42.8 12.8 41.7 522 552 A Q H <>S+ 0 0 74 -4,-2.3 5,-3.4 1,-0.2 6,-0.6 0.828 106.5 50.0 -60.3 -33.4 42.6 9.2 43.0 523 553 A V H ><5S+ 0 0 2 -4,-1.4 3,-1.1 4,-0.2 -1,-0.2 0.872 108.7 52.3 -72.9 -37.9 44.0 10.3 46.4 524 554 A A H 3<5S+ 0 0 9 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.764 111.4 47.2 -67.6 -28.4 41.4 13.1 46.6 525 555 A N T 3<5S- 0 0 105 -4,-1.5 -1,-0.2 -387,-0.1 -2,-0.2 0.202 117.4-109.9 -99.1 13.2 38.6 10.7 45.9 526 556 A H T < 5S+ 0 0 139 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.776 87.6 117.7 65.9 28.2 39.8 8.1 48.5 527 557 A E S - 0 0 99 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.845 22.5-136.8 -99.5 131.5 46.5 6.4 49.9 530 560 A W H > S+ 0 0 39 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.891 98.6 49.4 -57.6 -44.7 48.9 9.4 49.6 531 561 A K H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 109.0 51.5 -64.3 -38.6 52.0 7.9 51.2 532 562 A A H > S+ 0 0 53 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.885 111.2 50.9 -64.4 -35.8 51.9 4.8 49.2 533 563 A V H X S+ 0 0 25 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.940 109.7 47.8 -68.2 -44.3 51.7 7.1 46.1 534 564 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.875 109.2 56.5 -62.8 -34.5 54.7 9.2 47.3 535 565 A D H X S+ 0 0 70 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.952 108.7 44.9 -62.1 -47.9 56.6 5.9 47.9 536 566 A H H X S+ 0 0 130 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.874 113.7 49.1 -63.9 -40.1 56.1 4.7 44.3 537 567 A F H X S+ 0 0 23 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.904 114.2 47.2 -65.0 -40.3 57.0 8.1 42.8 538 568 A F H X S+ 0 0 17 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.854 107.2 55.8 -70.0 -35.7 60.1 8.2 45.0 539 569 A S H X S+ 0 0 72 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.926 113.7 40.5 -62.8 -44.3 61.1 4.7 44.2 540 570 A D H X S+ 0 0 58 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.848 114.9 54.8 -71.8 -35.0 61.1 5.6 40.5 541 571 A F H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.931 108.2 44.7 -67.6 -45.0 62.7 8.9 41.1 542 572 A T H X S+ 0 0 37 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.829 107.0 58.9 -71.4 -29.7 65.7 7.7 43.1 543 573 A Q H X S+ 0 0 125 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.929 111.3 43.2 -62.1 -41.2 66.5 4.9 40.6 544 574 A Q H X S+ 0 0 24 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.941 112.5 52.4 -67.2 -47.0 66.8 7.6 37.9 545 575 A L H X S+ 0 0 10 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.722 104.7 56.3 -62.7 -26.2 68.8 10.0 40.1 546 576 A D H >X S+ 0 0 90 -4,-1.8 4,-0.8 2,-0.2 3,-0.7 0.951 106.2 48.4 -71.6 -49.7 71.4 7.3 41.0 547 577 A K H >< S+ 0 0 128 -4,-1.3 3,-0.6 1,-0.2 -2,-0.2 0.871 110.0 54.7 -55.6 -39.1 72.3 6.6 37.4 548 578 A A H 3< S+ 0 0 0 -4,-1.6 9,-2.1 -45,-0.2 -1,-0.2 0.766 100.8 57.3 -68.2 -29.4 72.6 10.3 36.7 549 579 A E H << S+ 0 0 102 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.691 89.9 92.2 -76.0 -20.6 75.1 11.0 39.5 550 580 A K S << S- 0 0 89 -4,-0.8 7,-0.2 -3,-0.6 5,-0.1 -0.039 93.6 -82.3 -67.2 173.9 77.6 8.5 38.1 551 581 A D > > - 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0 0 171 -2,-0.3 -2,-0.1 0, 0.0 2,-0.0 -0.798 26.7-141.9-132.2 85.8 83.9 20.9 25.1 563 593 A V - 0 0 113 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.267 27.1-106.9 -55.8 129.7 87.2 19.0 25.5 564 594 A L 0 0 154 1,-0.0 -1,-0.1 -2,-0.0 0, 0.0 0.489 360.0 360.0 -43.0-174.0 90.1 20.7 23.6 565 595 A T 0 0 188 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.996 360.0 360.0 -62.8 360.0 91.8 19.7 20.4