==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOPOISOMERASE 05-MAY-95 1ECL . COMPND 2 MOLECULE: ESCHERICHIA COLI TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.D.LIMA,J.C.WANG,A.MONDRAGON . 552 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 13.4 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 . 23 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 1 1 1 2 0 1 4 2 1 1 1 0 1 0 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 . 3 4 0 2 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 0 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 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 58 0, 0.0 80,-0.3 0, 0.0 79,-0.2 0.000 360.0 360.0 360.0 -76.1 27.4 33.9 70.3 2 3 A K - 0 0 112 77,-0.3 79,-2.2 78,-0.1 80,-0.6 0.181 360.0-105.7 -62.1-174.9 27.8 35.0 66.6 3 4 A A E -ab 24 82A 11 20,-2.5 22,-3.0 77,-0.2 2,-0.5 -0.970 28.9-132.2-118.2 131.7 29.1 32.6 64.0 4 5 A L E -ab 25 83A 3 78,-2.2 80,-3.5 -2,-0.4 2,-0.5 -0.805 21.5-167.8 -90.4 127.7 32.7 33.2 62.8 5 6 A V E -ab 26 84A 0 20,-3.1 22,-3.1 -2,-0.5 2,-0.6 -0.952 2.6-161.4-117.0 120.4 33.1 33.2 59.1 6 7 A I E +ab 27 85A 0 78,-2.9 80,-2.0 -2,-0.5 2,-0.3 -0.881 12.2 173.1-109.0 124.6 36.6 33.1 57.6 7 8 A V E -a 28 0A 0 20,-2.4 22,-1.8 -2,-0.6 23,-0.3 -0.809 37.0-121.4-118.3 163.6 37.5 34.1 54.0 8 9 A E S S+ 0 0 19 78,-0.3 23,-1.8 -2,-0.3 20,-0.1 0.715 87.6 37.3 -79.4 -14.5 40.9 34.4 52.4 9 10 A S > - 0 0 17 21,-0.2 4,-2.2 20,-0.1 5,-0.1 -0.921 67.2-130.7-140.0 156.9 40.8 38.0 51.4 10 11 A P H > S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.822 110.8 56.9 -70.2 -33.1 39.5 41.4 52.5 11 12 A A H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.962 112.3 41.4 -61.1 -48.8 37.9 42.0 49.1 12 13 A K H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.886 111.2 57.9 -62.6 -43.4 35.9 38.8 49.5 13 14 A A H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.957 107.1 47.6 -52.0 -51.8 35.2 39.6 53.2 14 15 A K H X S+ 0 0 133 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.883 114.8 44.5 -59.0 -43.5 33.6 42.9 52.2 15 16 A T H >< S+ 0 0 8 -4,-1.7 3,-1.0 275,-0.3 4,-0.3 0.949 114.2 47.2 -68.5 -52.9 31.4 41.4 49.6 16 17 A I H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.849 101.8 65.5 -61.4 -32.2 30.2 38.3 51.5 17 18 A N H >< S+ 0 0 84 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 0.840 89.8 68.2 -61.6 -27.8 29.4 40.5 54.6 18 19 A K T << S+ 0 0 126 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.718 105.6 41.0 -61.4 -21.2 26.7 42.1 52.5 19 20 A Y T < S+ 0 0 66 -3,-2.1 2,-0.4 -4,-0.3 -1,-0.3 0.176 102.3 77.2-114.6 14.5 24.8 38.9 52.5 20 21 A L < - 0 0 16 -3,-1.6 6,-0.1 -4,-0.1 101,-0.0 -0.996 68.9-144.4-127.2 129.4 25.4 37.8 56.1 21 22 A G > - 0 0 49 -2,-0.4 3,-2.4 1,-0.1 -2,-0.1 -0.104 41.7 -69.5 -79.4-168.3 23.4 39.2 59.0 22 23 A S T 3 S+ 0 0 104 1,-0.3 -19,-0.1 -20,-0.1 -1,-0.1 0.547 119.2 73.0 -62.5 -15.0 24.4 40.0 62.5 23 24 A D T 3 S+ 0 0 113 -21,-0.1 -20,-2.5 -22,-0.0 2,-0.4 0.541 95.8 68.6 -75.5 -4.0 24.7 36.4 63.7 24 25 A Y E < -a 3 0A 53 -3,-2.4 2,-0.5 -22,-0.3 -20,-0.2 -0.915 59.7-165.3-120.1 140.8 27.9 36.4 61.7 25 26 A V E -a 4 0A 35 -22,-3.0 -20,-3.1 -2,-0.4 2,-0.4 -0.992 19.7-153.9-117.9 122.7 31.2 38.0 62.0 26 27 A V E +a 5 0A 24 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.889 17.3 175.3 -99.8 135.6 33.2 37.8 58.8 27 28 A K E -a 6 0A 59 -22,-3.1 -20,-2.4 -2,-0.4 2,-0.3 -0.996 22.1-138.1-141.1 143.1 37.0 37.9 59.0 28 29 A S E -a 7 0A 21 -2,-0.3 -20,-0.2 -22,-0.2 -19,-0.1 -0.719 9.5-145.1 -99.3 150.8 39.8 37.5 56.4 29 30 A S - 0 0 0 -22,-1.8 4,-0.3 -2,-0.3 -21,-0.2 0.357 39.5-125.2 -91.5 3.4 43.0 35.5 57.1 30 31 A V S S- 0 0 65 -23,-0.3 2,-0.3 2,-0.1 -21,-0.2 0.892 74.9 -27.5 55.7 40.6 44.8 38.0 55.0 31 32 A G S S- 0 0 22 -23,-1.8 -2,-0.2 -24,-0.2 -1,-0.0 -0.843 109.6 -34.0 125.4-155.8 46.2 35.2 52.8 32 33 A H - 0 0 81 -2,-0.3 2,-2.3 1,-0.1 -1,-0.1 0.498 60.4-157.3 -88.4 -6.8 47.0 31.5 53.2 33 34 A I + 0 0 2 -4,-0.3 30,-2.0 -3,-0.1 2,-0.3 -0.321 67.7 25.7 65.1 -55.4 48.2 31.5 56.9 34 35 A R E +E 62 0B 45 -2,-2.3 2,-0.3 28,-0.3 28,-0.2 -0.952 68.6 133.7-136.2 151.3 50.3 28.4 57.0 35 36 A D E -E 61 0B 28 26,-1.7 26,-2.5 -2,-0.3 -2,-0.0 -0.942 57.4 -56.3-179.3 177.4 52.2 26.5 54.3 36 37 A L 0 0 6 -2,-0.3 13,-0.1 24,-0.2 24,-0.1 -0.263 360.0 360.0 -65.8 166.7 55.6 24.9 53.6 37 38 A P 0 0 57 0, 0.0 -1,-0.1 0, 0.0 26,-0.0 -0.543 360.0 360.0 -76.8 360.0 58.7 27.0 54.0 38 ! 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 39 62 A D 0 0 163 0, 0.0 14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.2 68.3 8.1 51.2 40 63 A E - 0 0 70 13,-0.1 2,-0.4 4,-0.0 3,-0.1 -0.083 360.0-162.1 -75.3 166.1 67.4 11.1 53.2 41 64 A R >> - 0 0 161 1,-0.1 4,-1.8 0, 0.0 3,-1.4 -0.898 17.7-144.8-145.6 111.8 69.5 14.2 53.8 42 65 A G H 3> S+ 0 0 29 -2,-0.4 4,-2.0 1,-0.3 5,-0.1 0.829 96.4 53.5 -48.1 -42.3 68.2 16.1 56.8 43 66 A A H 3> S+ 0 0 38 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.703 106.3 54.2 -72.4 -16.8 68.9 19.5 55.5 44 67 A L H <> S+ 0 0 21 -3,-1.4 4,-3.2 2,-0.2 3,-0.5 0.950 109.0 47.5 -75.1 -52.6 66.9 18.8 52.2 45 68 A V H X S+ 0 0 17 -4,-1.8 4,-2.9 1,-0.3 5,-0.2 0.893 111.1 53.5 -55.1 -39.6 63.8 17.7 54.3 46 69 A N H < S+ 0 0 124 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.871 111.9 44.3 -62.2 -43.8 64.3 20.9 56.3 47 70 A R H < S+ 0 0 135 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.921 118.3 41.8 -67.6 -47.9 64.3 22.9 53.1 48 71 A M H < S- 0 0 0 -4,-3.2 -2,-0.2 2,-0.2 -3,-0.2 0.853 93.9-138.3 -70.0 -35.5 61.3 21.2 51.5 49 72 A G S < S+ 0 0 4 -4,-2.9 10,-2.8 -5,-0.3 2,-0.4 0.339 76.6 96.0 87.3 -2.3 59.3 21.1 54.6 50 73 A V E -F 58 0C 0 8,-0.2 -1,-0.3 -5,-0.2 8,-0.2 -0.939 63.9-151.1-126.4 138.8 58.4 17.5 53.4 51 74 A D E > > +F 57 0C 10 6,-2.4 5,-2.0 -2,-0.4 6,-0.8 -0.808 13.4 177.5-113.6 98.2 60.0 14.2 54.3 52 75 A P T 3 5S+ 0 0 10 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.660 85.2 50.9 -66.5 -21.5 59.7 11.5 51.5 53 76 A W T 3 5S+ 0 0 60 1,-0.2 2,-0.2 4,-0.1 -13,-0.1 0.594 108.7 49.7 -94.8 -17.7 61.7 9.0 53.6 54 77 A H T X 5S- 0 0 104 -3,-0.7 3,-1.5 3,-0.2 -1,-0.2 -0.558 130.1 -80.8-122.2 61.9 59.6 9.3 56.7 55 78 A N T 3 5S- 0 0 89 -3,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.702 79.5 -63.4 48.2 41.7 56.1 8.9 55.1 56 79 A W T 3 - 0 0 52 -30,-2.0 3,-1.7 -2,-0.3 4,-0.2 -0.117 49.9 -77.1 -53.0 157.3 53.8 32.6 56.9 64 87 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 -0.262 117.4 12.9 -59.7 144.2 55.6 35.7 57.9 65 88 A G T > S+ 0 0 59 -3,-0.1 3,-0.6 1,-0.1 4,-0.4 0.240 100.5 103.9 75.9 -12.1 53.6 38.4 59.6 66 89 A K T <> + 0 0 41 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.477 51.5 86.1 -83.0 -1.0 50.7 35.9 60.0 67 90 A E H 3> S+ 0 0 114 1,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.932 88.9 51.1 -66.5 -41.6 51.3 35.3 63.7 68 91 A K H <> S+ 0 0 172 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.859 108.4 55.6 -58.1 -37.5 49.1 38.4 64.6 69 92 A V H > S+ 0 0 9 -4,-0.4 4,-2.9 2,-0.2 5,-0.3 0.973 102.8 52.3 -60.5 -51.9 46.5 36.8 62.3 70 93 A V H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.916 112.7 46.7 -52.4 -41.8 46.6 33.5 64.2 71 94 A S H X S+ 0 0 71 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.963 111.0 50.5 -63.0 -52.1 45.9 35.4 67.4 72 95 A E H X S+ 0 0 76 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.893 115.4 42.6 -54.5 -45.6 43.2 37.5 66.0 73 96 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.928 113.1 52.4 -69.5 -44.2 41.4 34.5 64.6 74 97 A K H X S+ 0 0 106 -4,-2.7 4,-0.5 -5,-0.3 -2,-0.2 0.898 110.6 47.2 -59.3 -44.0 41.9 32.4 67.7 75 98 A Q H >X S+ 0 0 118 -4,-3.1 4,-1.2 1,-0.2 3,-1.2 0.930 113.6 47.8 -68.4 -37.6 40.5 35.1 69.9 76 99 A L H 3X S+ 0 0 17 -4,-2.0 4,-0.6 -5,-0.3 -2,-0.2 0.832 101.8 68.2 -66.3 -35.2 37.5 35.5 67.6 77 100 A A H 3< S+ 0 0 11 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.638 99.4 47.7 -60.7 -18.9 37.0 31.8 67.6 78 101 A E H << S+ 0 0 152 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.864 102.9 57.0 -93.4 -37.5 36.0 31.6 71.2 79 102 A K H < S+ 0 0 125 -4,-1.2 -77,-0.3 -78,-0.0 2,-0.3 0.663 101.5 77.5 -67.5 -8.1 33.4 34.3 71.3 80 103 A A < - 0 0 4 -4,-0.6 -77,-0.2 -79,-0.2 -78,-0.1 -0.810 68.6-148.4-107.7 142.0 31.6 32.4 68.4 81 104 A D S S+ 0 0 108 -79,-2.2 2,-0.3 -80,-0.3 -78,-0.2 0.758 84.2 11.0 -78.0 -26.2 29.4 29.3 68.7 82 105 A H E -b 3 0A 47 -80,-0.6 -78,-2.2 -81,-0.1 2,-0.4 -0.984 69.0-136.4-149.9 149.7 30.3 27.8 65.3 83 106 A I E -bc 4 111A 3 27,-3.4 29,-2.0 -2,-0.3 2,-0.6 -0.911 7.5-156.5-117.2 128.1 33.0 28.6 62.6 84 107 A Y E -bc 5 112A 37 -80,-3.5 -78,-2.9 -2,-0.4 2,-1.1 -0.898 8.0-151.1-106.1 110.4 32.4 28.7 58.8 85 108 A L E -bc 6 113A 2 27,-3.3 29,-1.5 -2,-0.6 2,-0.2 -0.715 19.3-178.7 -81.3 98.2 35.5 28.1 56.6 86 109 A A + 0 0 0 -80,-2.0 -78,-0.3 -2,-1.1 -1,-0.1 -0.239 22.5 145.0 -97.1 44.4 34.4 30.2 53.6 87 110 A T - 0 0 1 -2,-0.2 6,-0.1 -80,-0.2 7,-0.1 -0.240 60.3 -73.6 -81.2 168.1 37.3 29.6 51.2 88 111 A D - 0 0 11 1,-0.1 -1,-0.2 27,-0.1 9,-0.2 -0.231 49.0-113.0 -58.2 150.8 37.2 29.3 47.5 89 112 A L S S+ 0 0 13 27,-0.4 -1,-0.1 4,-0.1 28,-0.1 0.610 82.9 94.9 -65.6 -18.3 35.7 26.0 46.3 90 113 A D S >> S- 0 0 21 1,-0.1 4,-2.2 3,-0.0 3,-0.7 -0.209 92.2 -95.2 -74.4 171.5 38.8 24.4 44.6 91 114 A R H 3> S+ 0 0 41 1,-0.3 4,-1.9 2,-0.2 51,-0.2 0.725 125.3 53.7 -54.6 -28.8 41.2 22.0 46.3 92 115 A E H 3> S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.860 107.7 50.6 -75.0 -38.8 43.6 24.8 47.3 93 116 A G H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.886 109.4 52.4 -65.9 -38.5 40.7 26.6 49.0 94 117 A E H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.936 110.8 46.0 -60.6 -46.7 40.0 23.3 50.8 95 118 A A H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.869 110.5 53.2 -66.4 -38.2 43.6 23.0 51.9 96 119 A I H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.918 109.4 48.9 -62.0 -43.5 43.6 26.7 53.0 97 120 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.891 108.7 54.0 -61.2 -37.6 40.5 25.9 55.1 98 121 A W H X S+ 0 0 41 -4,-2.0 4,-3.3 1,-0.2 -2,-0.2 0.927 108.5 50.0 -62.5 -41.2 42.3 22.8 56.5 99 122 A H H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.877 109.7 49.6 -64.6 -44.2 45.2 25.1 57.6 100 123 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.940 113.7 45.9 -62.4 -46.2 42.9 27.6 59.3 101 124 A R H X S+ 0 0 39 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.943 113.6 49.4 -60.4 -49.8 41.1 24.8 61.2 102 125 A E H < S+ 0 0 81 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.881 115.8 42.4 -55.0 -47.9 44.4 23.1 62.2 103 126 A V H < S+ 0 0 24 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.947 115.5 47.1 -68.5 -48.0 45.9 26.4 63.4 104 127 A I H < S- 0 0 21 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.924 93.2-173.1 -61.8 -39.4 42.8 27.6 65.2 105 128 A G < + 0 0 26 -4,-3.0 -1,-0.1 -5,-0.3 2,-0.1 -0.367 26.6 122.0 77.7-158.5 42.4 24.2 66.8 106 129 A G S S- 0 0 61 -4,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.437 74.8 -31.2 92.7-178.8 39.3 23.4 68.8 107 130 A D > - 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0 0 23 -4,-1.4 2,-0.6 146,-0.1 185,-0.2 -0.094 69.1-120.5 -63.7 159.9 38.2 27.4 -22.6 242 265 A R - 0 0 222 183,-0.1 146,-0.7 2,-0.0 2,-0.5 -0.918 28.7-142.1-103.1 124.6 34.5 28.0 -22.6 243 266 A Y E +KL 387 424D 8 181,-0.8 181,-2.9 -2,-0.6 2,-0.3 -0.773 28.2 161.8 -92.2 129.7 33.1 28.6 -19.1 244 267 A S E -KL 386 423D 47 142,-2.2 142,-2.7 -2,-0.5 2,-0.5 -0.990 43.2-108.2-143.5 148.2 29.7 27.3 -18.0 245 268 A V E -K 385 0D 2 177,-2.6 176,-3.0 -2,-0.3 140,-0.3 -0.655 30.2-177.0 -77.0 119.3 28.0 26.7 -14.6 246 269 A L E - 0 0 85 138,-2.6 2,-0.3 -2,-0.5 139,-0.2 0.653 65.6 -5.2 -85.0 -27.3 27.9 23.0 -14.0 247 270 A E E -K 384 0D 97 137,-1.5 137,-2.8 172,-0.1 2,-0.5 -0.909 50.2-152.0-168.8 140.5 26.0 23.1 -10.7 248 271 A R E -K 383 0D 88 -2,-0.3 2,-0.7 135,-0.2 135,-0.2 -0.994 14.8-167.3-121.9 117.6 24.7 25.5 -8.1 249 272 A E E +K 382 0D 72 133,-2.8 133,-2.1 -2,-0.5 2,-0.4 -0.937 8.6 178.7-109.1 97.7 24.4 24.1 -4.6 250 273 A D E +K 381 0D 90 -2,-0.7 131,-0.2 131,-0.2 -2,-0.0 -0.844 10.0 164.1 -94.7 146.0 22.4 26.3 -2.4 251 274 A K E -K 380 0D 101 129,-2.2 129,-1.8 -2,-0.4 2,-0.2 -0.929 40.1-111.1-164.2 131.2 22.0 25.1 1.2 252 275 A P E -K 379 0D 97 0, 0.0 2,-0.3 0, 0.0 127,-0.2 -0.541 40.2-177.5 -69.1 131.7 20.9 26.7 4.4 253 276 A T E -K 378 0D 40 125,-3.2 125,-3.6 -2,-0.2 2,-0.3 -0.934 8.5-167.9-128.1 154.9 23.7 27.0 6.9 254 277 A T E -K 377 0D 50 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.900 15.1-141.2-135.8 165.8 23.9 28.3 10.4 255 278 A S E -K 376 0D 31 121,-1.4 121,-2.2 -2,-0.3 149,-0.2 -0.984 21.7-142.2-130.1 130.0 26.6 29.3 12.8 256 279 A K - 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0 0 96 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.847 22.3-135.0-103.5 133.8 45.4 7.3 48.8 525 560 A W H > S+ 0 0 39 -2,-0.5 4,-2.5 1,-0.3 5,-0.1 0.847 101.6 44.1 -52.7 -46.7 47.6 10.4 48.7 526 561 A K H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.804 111.8 53.4 -72.6 -34.2 50.7 8.9 50.4 527 562 A A H > S+ 0 0 51 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.928 112.4 46.1 -62.2 -41.9 50.5 5.7 48.3 528 563 A V H X S+ 0 0 19 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.899 111.9 50.5 -65.9 -41.3 50.4 7.9 45.2 529 564 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.923 109.4 53.1 -64.9 -35.9 53.3 10.1 46.5 530 565 A D H X S+ 0 0 76 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.868 108.9 48.1 -66.5 -38.9 55.3 6.8 47.1 531 566 A H H X S+ 0 0 122 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.951 113.4 47.5 -69.8 -41.5 54.7 5.7 43.6 532 567 A F H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 113.1 48.0 -60.3 -46.6 55.8 9.0 42.2 533 568 A F H X S+ 0 0 16 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.790 108.3 54.5 -67.7 -30.6 58.9 9.1 44.4 534 569 A S H X S+ 0 0 52 -4,-1.7 4,-1.7 -5,-0.2 5,-0.2 0.966 113.1 41.5 -69.6 -50.0 60.0 5.6 43.6 535 570 A D H X S+ 0 0 32 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.857 117.9 50.4 -63.6 -37.3 59.9 6.3 39.8 536 571 A F H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.2 -2,-0.2 0.911 108.4 47.7 -68.2 -49.2 61.5 9.7 40.5 537 572 A T H X S+ 0 0 29 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.835 110.2 51.6 -66.3 -32.3 64.4 8.7 42.6 538 573 A Q H X S+ 0 0 95 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.943 112.9 47.6 -66.1 -40.4 65.5 5.8 40.3 539 574 A Q H X S+ 0 0 26 -4,-1.5 4,-2.3 1,-0.2 3,-0.3 0.974 114.9 45.5 -61.6 -52.1 65.4 8.4 37.5 540 575 A L H X S+ 0 0 8 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.739 106.9 59.5 -65.2 -22.6 67.4 10.8 39.7 541 576 A D H < S+ 0 0 80 -4,-1.7 4,-0.5 2,-0.2 3,-0.4 0.943 110.9 40.4 -70.0 -48.6 69.8 8.1 40.7 542 577 A K H >< S+ 0 0 125 -4,-2.0 3,-2.3 -3,-0.3 -2,-0.2 0.955 109.7 57.2 -63.1 -54.2 70.8 7.5 37.1 543 578 A A H 3< S+ 0 0 0 -4,-2.3 9,-2.3 -45,-0.3 -1,-0.2 0.689 101.2 60.5 -51.6 -25.8 70.9 11.1 36.0 544 579 A E T 3< S+ 0 0 97 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.702 87.8 92.2 -81.6 -16.4 73.4 11.7 38.8 545 580 A K S < S- 0 0 79 -3,-2.3 7,-0.2 -4,-0.5 5,-0.1 0.022 92.3 -82.4 -66.3 176.7 76.0 9.3 37.4 546 581 A D > > - 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