==== 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 1CY0 . COMPND 2 MOLECULE: DNA TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.FEINBERG,A.CHANGELA,A.MONDRAGON . 534 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 13.9 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 1 0 1 2 1 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 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 44 0, 0.0 3,-0.1 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 14.1 31.3 72.8 -2.3 2 3 A K - 0 0 94 1,-0.2 75,-4.4 74,-0.1 76,-0.4 0.675 360.0 -27.7 -95.0-108.4 34.1 71.4 -0.0 3 4 A A E -a 24 0A 10 20,-0.8 22,-3.8 73,-0.2 2,-0.5 -0.953 58.9-140.9-117.3 135.9 33.1 69.3 3.0 4 5 A L E -ab 25 79A 0 74,-2.4 76,-4.1 -2,-0.4 2,-0.5 -0.849 14.5-172.1-102.1 127.5 29.8 69.7 4.8 5 6 A V E -ab 26 80A 0 20,-2.8 22,-3.2 -2,-0.5 2,-0.5 -0.972 8.4-158.6-117.4 120.8 29.5 69.4 8.6 6 7 A I E +ab 27 81A 0 74,-3.0 76,-2.3 -2,-0.5 2,-0.3 -0.883 16.2 168.6-106.4 128.0 26.1 69.3 10.1 7 8 A V E -a 28 0A 0 20,-2.2 22,-2.3 -2,-0.5 76,-0.2 -0.789 39.3-116.5-125.2 169.8 25.5 70.3 13.8 8 9 A E S S+ 0 0 16 74,-0.3 23,-1.5 -2,-0.3 20,-0.1 0.510 84.8 34.1 -93.4 -1.1 22.2 70.9 15.6 9 10 A S > - 0 0 17 21,-0.2 4,-2.0 1,-0.1 5,-0.1 -1.000 68.2-123.9-152.7 154.0 22.5 74.6 16.6 10 11 A P H > S+ 0 0 83 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.897 113.3 54.7 -59.5 -41.2 23.9 78.0 15.5 11 12 A A H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.901 110.5 44.7 -59.9 -43.3 25.8 78.2 18.8 12 13 A K H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.821 110.4 56.1 -70.7 -32.4 27.5 74.9 18.2 13 14 A A H X S+ 0 0 15 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.899 105.5 50.8 -67.0 -40.6 28.2 75.8 14.6 14 15 A K H < S+ 0 0 153 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.837 115.5 42.2 -67.4 -32.5 30.1 79.0 15.6 15 16 A T H >< S+ 0 0 13 -4,-1.2 3,-1.1 271,-0.3 4,-0.3 0.916 114.7 45.9 -81.3 -46.2 32.3 77.1 18.0 16 17 A I H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 4,-0.2 0.857 104.4 65.4 -64.9 -33.9 33.2 74.0 16.0 17 18 A N G >< S+ 0 0 82 -4,-1.6 3,-0.9 -5,-0.3 -1,-0.3 0.719 88.9 68.1 -61.0 -21.7 33.8 76.2 13.0 18 19 A K G < S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.727 105.9 40.1 -70.5 -21.3 36.8 77.7 14.9 19 20 A Y G < S+ 0 0 68 -3,-1.9 2,-0.5 -4,-0.3 -1,-0.2 0.217 100.8 85.0-112.8 12.1 38.6 74.3 14.7 20 21 A L S < S- 0 0 18 -3,-0.9 4,-0.1 -4,-0.2 6,-0.1 -0.970 71.3-133.2-119.4 128.9 37.6 73.4 11.1 21 22 A G > - 0 0 40 -2,-0.5 3,-1.5 2,-0.1 -2,-0.1 0.092 37.7 -78.5 -69.9-176.9 39.6 74.7 8.1 22 23 A S T 3 S+ 0 0 97 1,-0.3 -20,-0.1 3,-0.0 -1,-0.1 0.802 123.3 65.5 -51.9 -37.9 38.6 76.3 4.8 23 24 A D T 3 S+ 0 0 86 -21,-0.1 -20,-0.8 -22,-0.1 2,-0.4 0.181 91.4 83.6 -76.1 21.0 37.6 72.9 3.3 24 25 A Y E < -a 3 0A 47 -3,-1.5 2,-0.7 -22,-0.2 -20,-0.2 -0.975 57.0-167.7-131.8 120.9 34.8 72.7 5.8 25 26 A V E -a 4 0A 36 -22,-3.8 -20,-2.8 -2,-0.4 2,-0.6 -0.919 16.0-155.8-105.8 110.1 31.4 74.2 5.6 26 27 A V E +a 5 0A 19 -2,-0.7 2,-0.4 -22,-0.2 -20,-0.2 -0.777 18.0 172.8 -93.7 121.8 29.6 74.0 8.9 27 28 A K E -a 6 0A 79 -22,-3.2 -20,-2.2 -2,-0.6 2,-0.3 -0.953 18.6-143.7-127.6 145.5 25.8 74.1 8.8 28 29 A S E -a 7 0A 29 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.3 -0.834 5.8-158.7-111.7 148.8 23.2 73.6 11.5 29 30 A S - 0 0 0 -22,-2.3 2,-0.2 -2,-0.3 4,-0.1 -0.917 34.2-123.6-122.5 96.7 19.8 72.0 11.4 30 31 A V - 0 0 96 -2,-0.5 -21,-0.2 2,-0.1 -22,-0.1 -0.199 60.4 -59.3 -48.0 106.0 17.9 73.4 14.4 31 32 A G S S+ 0 0 26 -23,-1.5 2,-0.5 -2,-0.2 -2,-0.1 -0.221 111.6 13.4 61.4-137.1 16.9 70.3 16.3 32 33 A H + 0 0 65 1,-0.2 27,-0.1 63,-0.0 3,-0.1 -0.654 51.2 179.2 -80.2 122.6 14.7 67.5 14.9 33 34 A I S S+ 0 0 5 -2,-0.5 26,-2.0 1,-0.2 2,-0.3 0.778 74.0 24.2 -91.4 -31.3 14.3 67.7 11.1 34 35 A R E S+E 58 0B 43 24,-0.3 2,-0.3 58,-0.1 24,-0.2 -0.954 73.8 140.7-133.7 151.9 12.2 64.6 10.8 35 36 A D E -E 57 0B 28 22,-1.6 22,-2.2 -2,-0.3 0, 0.0 -0.982 48.6 -57.0-172.3 179.6 9.9 62.8 13.3 36 37 A L 0 0 8 -2,-0.3 9,-0.1 20,-0.2 20,-0.1 -0.271 360.0 360.0 -68.5 159.6 6.6 61.0 14.1 37 38 A P 0 0 63 0, 0.0 7,-0.1 0, 0.0 8,-0.1 0.986 360.0 360.0 -54.7 360.0 3.3 62.7 13.3 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 66 A A > 0 0 97 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -65.1 -6.6 54.8 12.8 40 67 A L H > + 0 0 43 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.867 360.0 45.8 -76.0 -37.8 -4.9 54.6 16.2 41 68 A V H >>S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 5,-0.7 0.820 108.2 58.8 -70.5 -32.0 -1.8 53.5 14.3 42 69 A N H 45S+ 0 0 130 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.922 109.4 41.8 -64.2 -44.6 -2.4 56.3 11.9 43 70 A R H <5S+ 0 0 136 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.0 49.5 -71.7 -38.7 -2.2 59.0 14.6 44 71 A M H <5S- 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.846 95.0-139.9 -69.6 -34.7 0.8 57.4 16.5 45 72 A G T <5S+ 0 0 4 -4,-2.0 10,-2.5 1,-0.2 2,-0.3 0.682 75.1 86.7 79.9 18.1 2.8 57.0 13.3 46 73 A V E < -F 54 0C 1 -5,-0.7 8,-0.2 8,-0.2 -1,-0.2 -0.987 67.4-144.5-150.0 137.2 4.0 53.7 14.6 47 74 A D E > > +F 53 0C 21 6,-2.1 3,-1.7 -2,-0.3 5,-1.4 -0.791 15.0 179.2-114.0 97.7 2.4 50.2 14.3 48 75 A P T 3 5S+ 0 0 13 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.695 88.4 55.1 -62.5 -17.4 2.8 47.8 17.3 49 76 A W T 3 5S+ 0 0 138 1,-0.2 -2,-0.0 2,-0.1 -8,-0.0 0.448 106.0 48.3 -97.2 -2.4 0.8 45.3 15.2 50 77 A H T X 5S- 0 0 130 -3,-1.7 3,-0.5 3,-0.1 -1,-0.2 -0.333 128.6 -79.4-134.3 54.7 3.0 45.2 12.1 51 78 A N T 3 5S- 0 0 86 -3,-0.4 -2,-0.1 1,-0.2 474,-0.1 0.877 88.1 -59.5 48.8 49.5 6.5 44.8 13.6 52 79 A W T 3 - 0 0 38 -26,-2.0 3,-1.2 1,-0.2 2,-0.2 -0.087 55.9 -76.4 -52.4 152.4 8.7 68.6 10.9 60 87 A P T 3 S- 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.330 114.8 -3.9 -57.2 116.7 6.0 71.2 10.1 61 88 A G T > S+ 0 0 59 -2,-0.2 3,-1.0 -3,-0.2 4,-0.2 0.144 99.4 107.8 88.3 -20.4 7.5 74.0 8.0 62 89 A K T <> + 0 0 56 -3,-1.2 4,-1.8 1,-0.3 -3,-0.1 0.301 44.8 109.0 -73.6 14.1 11.1 72.7 8.2 63 90 A E H 3> S+ 0 0 114 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.709 75.7 52.6 -61.6 -21.3 10.5 71.8 4.5 64 91 A K H <> S+ 0 0 150 -3,-1.0 4,-2.9 2,-0.2 3,-0.4 0.929 102.7 54.4 -79.3 -51.1 13.0 74.7 3.7 65 92 A V H > S+ 0 0 31 1,-0.2 4,-1.9 -4,-0.2 -2,-0.2 0.901 105.8 54.5 -49.0 -48.1 15.8 73.5 5.9 66 93 A V H X S+ 0 0 15 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.887 111.6 43.8 -55.9 -43.0 15.8 70.1 4.2 67 94 A S H X S+ 0 0 73 -4,-0.8 4,-2.3 -3,-0.4 5,-0.3 0.917 108.5 55.7 -70.1 -44.3 16.2 71.6 0.8 68 95 A E H < S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.9 44.6 -55.7 -32.7 18.9 74.1 1.9 69 96 A L H >X S+ 0 0 4 -4,-1.9 4,-2.9 -5,-0.3 3,-0.6 0.900 110.0 53.7 -77.1 -44.4 20.7 71.0 3.1 70 97 A K H 3X S+ 0 0 84 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.947 112.0 41.5 -55.7 -56.9 20.0 68.9 -0.1 71 98 A Q H 3< S+ 0 0 92 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.561 119.6 48.5 -70.9 -7.4 21.4 71.3 -2.6 72 99 A L H <4 S+ 0 0 11 -3,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.745 109.1 51.1 -99.6 -33.2 24.2 72.0 -0.2 73 100 A A H >< S+ 0 0 0 -4,-2.9 3,-1.8 2,-0.2 -2,-0.2 0.926 110.2 47.5 -70.2 -47.6 25.1 68.4 0.5 74 101 A E T 3< S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.889 108.0 56.6 -60.6 -38.1 25.3 67.4 -3.2 75 102 A K T 3 S+ 0 0 91 -5,-0.3 -1,-0.3 -4,-0.3 2,-0.3 0.551 100.7 91.3 -68.6 -5.0 27.5 70.5 -3.7 76 103 A A < - 0 0 11 -3,-1.8 -73,-0.2 1,-0.1 -74,-0.1 -0.663 69.1-148.0-100.2 150.5 29.6 68.8 -1.0 77 104 A D S S- 0 0 118 -75,-4.4 2,-0.3 1,-0.3 -74,-0.2 0.988 85.7 -1.7 -70.7 -66.2 32.5 66.4 -1.2 78 105 A H S S- 0 0 43 -76,-0.4 -74,-2.4 2,-0.0 2,-0.6 -0.956 70.2-132.1-130.2 146.7 31.9 64.5 2.0 79 106 A I E -bc 4 107A 0 27,-2.2 29,-1.5 -2,-0.3 2,-0.6 -0.889 15.2-161.3-106.6 122.9 29.2 64.9 4.7 80 107 A Y E -bc 5 108A 33 -76,-4.1 -74,-3.0 -2,-0.6 2,-1.0 -0.893 8.1-152.2-104.4 120.5 30.1 64.9 8.4 81 108 A L E +bc 6 109A 2 27,-2.9 29,-1.3 -2,-0.6 -74,-0.1 -0.804 21.1 173.5 -92.4 101.4 27.3 64.3 10.9 82 109 A A + 0 0 0 -76,-2.3 -74,-0.3 -2,-1.0 -1,-0.1 -0.204 19.7 143.1-106.2 43.7 28.6 66.2 13.9 83 110 A T - 0 0 1 6,-0.2 6,-0.1 -76,-0.2 -76,-0.1 -0.277 63.7 -66.2 -77.3 165.8 25.6 65.9 16.3 84 111 A D - 0 0 3 1,-0.1 -1,-0.2 27,-0.1 8,-0.1 -0.139 53.5-111.5 -50.0 148.8 25.9 65.5 20.1 85 112 A L S S+ 0 0 14 27,-0.5 -1,-0.1 4,-0.1 28,-0.1 0.625 84.4 91.1 -61.5 -23.1 27.5 62.1 21.2 86 113 A D S >> S- 0 0 8 1,-0.1 4,-1.7 3,-0.0 3,-0.5 -0.148 94.2 -96.3 -75.2 171.8 24.5 60.4 22.8 87 114 A R H 3> S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.821 124.1 59.8 -55.9 -31.4 22.0 58.1 21.2 88 115 A E H 3> S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 107.3 44.0 -63.6 -43.6 19.7 61.1 20.8 89 116 A G H <> S+ 0 0 0 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.781 109.9 59.3 -70.5 -24.6 22.3 62.9 18.6 90 117 A E H X S+ 0 0 7 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.908 105.4 46.7 -70.3 -41.6 22.7 59.6 16.9 91 118 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.852 109.9 53.6 -69.1 -33.9 19.1 59.5 15.8 92 119 A I H X S+ 0 0 9 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.886 110.2 48.2 -66.3 -36.9 19.3 63.2 14.6 93 120 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.913 111.5 50.4 -67.0 -43.4 22.3 62.2 12.5 94 121 A W H X S+ 0 0 38 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.894 109.2 49.8 -61.9 -44.0 20.4 59.2 11.1 95 122 A H H X S+ 0 0 13 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.868 110.4 51.5 -64.1 -37.2 17.3 61.3 10.2 96 123 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 3,-0.4 0.935 110.9 47.1 -65.7 -45.8 19.6 63.8 8.4 97 124 A R H X S+ 0 0 31 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.906 112.6 49.6 -62.7 -41.8 21.2 61.1 6.4 98 125 A E H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.698 115.9 42.7 -71.1 -20.9 17.9 59.5 5.5 99 126 A V H < S+ 0 0 29 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.822 115.2 45.0 -94.1 -37.3 16.4 62.8 4.4 100 127 A I H < S- 0 0 4 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.835 100.4-164.9 -73.6 -32.5 19.3 64.3 2.4 101 128 A G < + 0 0 23 -4,-1.7 -1,-0.1 -5,-0.4 2,-0.1 -0.250 32.2 120.1 80.8-169.3 19.8 60.9 0.8 102 129 A G - 0 0 50 -4,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.404 68.8 -39.1 100.7 179.8 22.7 59.5 -1.1 103 130 A D > - 0 0 131 -2,-0.1 3,-1.6 1,-0.1 4,-0.1 -0.483 50.8-120.3 -81.4 151.8 25.0 56.5 -0.6 104 131 A D G > S+ 0 0 97 1,-0.3 3,-2.6 2,-0.2 -1,-0.1 0.860 110.9 63.8 -58.3 -40.0 26.2 55.5 2.9 105 132 A A G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -27,-0.0 -2,-0.0 0.568 90.6 72.1 -63.4 -5.5 29.9 55.9 2.0 106 133 A R G < S+ 0 0 56 -3,-1.6 -27,-2.2 -28,-0.1 2,-0.3 0.569 95.4 62.1 -84.8 -10.6 28.9 59.5 1.5 107 134 A Y E < -c 79 0A 7 -3,-2.6 2,-0.3 -29,-0.2 -27,-0.2 -0.837 54.2-176.7-121.7 156.5 28.6 60.0 5.3 108 135 A S E -c 80 0A 12 -29,-1.5 -27,-2.9 -2,-0.3 2,-0.6 -0.965 20.2-139.1-142.4 149.9 30.7 59.8 8.4 109 136 A R E -cD 81 128A 3 19,-3.7 19,-1.8 -2,-0.3 2,-0.3 -0.944 18.5-158.3-118.5 109.8 29.7 60.3 12.1 110 137 A V - 0 0 0 -29,-1.3 2,-0.5 -2,-0.6 14,-0.1 -0.690 5.7-154.9 -89.9 140.1 32.2 62.3 14.1 111 138 A V + 0 0 84 -2,-0.3 2,-0.3 12,-0.3 -27,-0.1 -0.959 23.0 152.9-123.5 123.8 32.3 61.9 17.9 112 139 A F - 0 0 11 -2,-0.5 -27,-0.5 11,-0.0 3,-0.1 -0.984 29.8-162.0-143.6 149.3 33.5 64.4 20.5 113 140 A N S S+ 0 0 37 -2,-0.3 179,-2.4 1,-0.2 2,-0.3 0.154 84.9 38.0-115.9 16.5 32.6 65.1 24.1 114 141 A E S S- 0 0 19 177,-0.2 2,-1.1 2,-0.1 -1,-0.2 -0.944 74.8-131.7-163.8 139.9 34.1 68.5 24.1 115 142 A I + 0 0 0 175,-0.5 2,-0.2 170,-0.4 229,-0.1 -0.647 62.4 119.8-101.5 78.2 34.2 71.3 21.6 116 143 A T S > S- 0 0 26 -2,-1.1 4,-2.2 1,-0.1 5,-0.2 -0.719 76.8 -95.5-128.3 179.5 37.9 72.2 21.7 117 144 A K H > S+ 0 0 138 -2,-0.2 4,-1.6 2,-0.2 5,-0.1 0.933 122.8 39.0 -65.2 -47.8 40.9 72.3 19.3 118 145 A N H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.923 115.8 52.2 -69.7 -43.3 42.2 68.9 20.2 119 146 A A H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.911 112.5 43.5 -60.1 -46.6 38.8 67.2 20.5 120 147 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.850 112.8 54.1 -69.7 -32.9 37.5 68.4 17.1 121 148 A R H X S+ 0 0 119 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.966 111.9 42.0 -63.5 -54.6 40.9 67.4 15.5 122 149 A Q H X S+ 0 0 123 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.777 113.3 56.1 -63.0 -28.6 40.9 63.8 16.8 123 150 A A H < S+ 0 0 7 -4,-1.5 -12,-0.3 -5,-0.3 -1,-0.2 0.922 114.1 36.0 -71.5 -45.5 37.1 63.6 16.0 124 151 A F H < S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.655 113.2 62.5 -81.8 -13.9 37.5 64.5 12.3 125 152 A N H < S+ 0 0 116 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.957 118.0 23.7 -72.5 -52.6 40.8 62.6 12.2 126 153 A K S < S- 0 0 179 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.616 87.7-177.6-113.9 67.8 39.3 59.2 13.0 127 154 A P - 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0 0 65 -11,-2.3 4,-2.0 -2,-0.3 3,-0.8 -0.690 20.4-112.7 -95.6 154.5 -1.7 67.8 43.9 485 521 A K H 3> S+ 0 0 145 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.896 119.3 57.0 -51.6 -41.5 -5.1 66.2 44.2 486 522 A M H 3> S+ 0 0 64 -14,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.872 106.2 49.3 -58.3 -38.0 -5.1 65.9 40.4 487 523 A G H <> S+ 0 0 0 -3,-0.8 4,-2.2 -15,-0.3 -1,-0.2 0.878 110.9 49.6 -68.5 -38.0 -1.9 63.9 40.5 488 524 A E H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.889 113.1 47.2 -66.7 -40.0 -3.3 61.6 43.2 489 525 A I H X S+ 0 0 61 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.916 112.6 47.2 -69.9 -43.2 -6.4 61.0 41.1 490 526 A V H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.912 112.2 52.7 -64.6 -39.4 -4.6 60.4 37.9 491 527 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 109.0 46.9 -61.7 -47.7 -2.2 58.0 39.8 492 528 A D H X S+ 0 0 46 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.890 113.9 48.3 -63.3 -39.2 -5.0 55.8 41.3 493 529 A R H X S+ 0 0 82 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.881 111.6 50.1 -69.2 -36.4 -6.8 55.6 38.0 494 530 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 8,-0.3 0.854 108.6 52.1 -69.5 -34.4 -3.6 54.6 36.2 495 531 A E H < S+ 0 0 59 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.726 110.4 50.4 -73.8 -20.9 -2.8 51.9 38.8 496 532 A E H < S+ 0 0 121 -4,-1.0 3,-0.3 -3,-0.2 -2,-0.2 0.921 123.8 25.5 -79.9 -48.2 -6.3 50.5 38.2 497 533 A N H < S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.776 136.5 26.5 -89.3 -29.5 -6.2 50.3 34.4 498 534 A F X + 0 0 39 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 -0.526 63.8 158.0-133.2 68.8 -2.5 50.0 33.8 499 535 A R T 4 S+ 0 0 199 -3,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.851 76.7 54.7 -61.6 -35.0 -0.9 48.4 36.9 500 536 A E T >4 S+ 0 0 64 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.900 106.0 51.2 -65.5 -41.1 2.2 47.3 35.0 501 537 A L T 34 S+ 0 0 1 1,-0.3 -1,-0.2 34,-0.2 -2,-0.2 0.909 110.1 50.5 -60.8 -42.5 2.9 50.7 33.6 502 538 A M T 3< S+ 0 0 1 -4,-1.7 2,-0.5 -8,-0.3 -1,-0.3 0.295 86.5 109.3 -80.4 9.0 2.7 52.1 37.2 503 539 A N <> - 0 0 50 -3,-1.4 4,-1.9 1,-0.1 3,-0.4 -0.777 63.3-146.8 -91.3 124.7 5.2 49.5 38.5 504 540 A Y H > S+ 0 0 23 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.896 98.5 49.3 -54.3 -47.7 8.6 50.8 39.4 505 541 A D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.796 108.2 54.8 -65.1 -29.2 10.5 47.7 38.4 506 542 A F H > S+ 0 0 7 -3,-0.4 4,-2.4 -6,-0.2 -1,-0.2 0.938 110.1 45.8 -67.9 -47.1 8.7 47.7 35.0 507 543 A T H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.915 114.6 46.9 -61.0 -47.3 9.8 51.2 34.3 508 544 A A H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.865 111.2 52.6 -66.0 -35.3 13.4 50.6 35.4 509 545 A Q H X S+ 0 0 88 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.940 107.5 51.0 -65.8 -46.0 13.5 47.4 33.4 510 546 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.866 110.0 50.4 -59.4 -36.5 12.3 49.1 30.2 511 547 A E H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.923 113.0 45.7 -67.7 -42.5 15.1 51.8 30.7 512 548 A N H X S+ 0 0 69 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.898 110.3 54.0 -64.8 -42.2 17.7 49.0 31.1 513 549 A S H X S+ 0 0 14 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.886 106.1 53.5 -62.0 -35.3 16.3 47.2 28.1 514 550 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.924 109.3 47.4 -63.9 -44.4 16.7 50.4 26.1 515 551 A D H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.918 108.3 56.3 -62.4 -42.3 20.4 50.6 27.1 516 552 A Q H <>S+ 0 0 67 -4,-2.7 5,-3.3 1,-0.2 6,-0.9 0.901 106.6 49.1 -57.3 -40.8 20.8 47.0 26.2 517 553 A V H ><5S+ 0 0 2 -4,-2.0 3,-1.4 4,-0.2 -1,-0.2 0.940 111.4 50.4 -63.2 -43.5 19.5 47.7 22.7 518 554 A A H 3<5S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.823 113.3 45.3 -61.9 -34.8 22.0 50.6 22.5 519 555 A N T 3<5S- 0 0 45 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.020 117.5-107.9 -99.7 24.2 24.9 48.4 23.6 520 556 A H T < 5S+ 0 0 142 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.845 90.1 113.8 54.6 40.8 24.0 45.5 21.3 521 557 A E S - 0 0 96 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.833 22.9-131.5-102.7 139.8 17.2 43.9 19.6 524 560 A W H > S+ 0 0 33 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.864 102.0 49.4 -61.1 -41.7 14.8 46.9 19.5 525 561 A K H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.884 113.3 48.1 -67.1 -34.5 11.8 45.2 17.9 526 562 A A H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 112.5 49.0 -69.6 -40.3 12.0 42.3 20.4 527 563 A V H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.888 113.0 47.5 -65.1 -39.7 12.3 44.8 23.2 528 564 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.915 110.1 53.3 -67.4 -41.6 9.3 46.7 21.9 529 565 A D H X S+ 0 0 73 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.917 112.2 43.7 -58.9 -44.5 7.4 43.5 21.5 530 566 A H H X S+ 0 0 94 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.872 114.4 51.6 -69.8 -35.1 8.0 42.6 25.1 531 567 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.976 111.6 44.3 -63.6 -55.0 7.3 46.1 26.2 532 568 A F H X S+ 0 0 21 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.853 113.5 54.5 -58.6 -34.5 3.9 46.3 24.4 533 569 A S H < S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.921 111.6 40.6 -66.7 -47.8 3.2 42.8 25.7 534 570 A D H < S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -34,-0.2 0.933 115.5 54.7 -65.2 -43.7 3.7 43.7 29.4 535 571 A F H < 0 0 11 -4,-2.9 -34,-0.2 -5,-0.2 -2,-0.2 0.812 360.0 360.0 -58.8 -38.0 1.9 47.0 28.9 536 572 A T < 0 0 105 -4,-1.9 -36,-0.0 -5,-0.2 -38,-0.0 -0.343 360.0 360.0 -97.3 360.0 -1.3 45.5 27.4