==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-DEC-06 2JCD . COMPND 2 MOLECULE: N-OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES THIOLUTEUS; . AUTHOR G.E.ZOCHER,R.WINKLER,C.HERTWECK,G.E.SCHULZ . 628 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 54.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 1 0 0 1 6 2 2 0 1 0 0 0 0 0 2 0 0 0 0 0 2 0 2 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A H 0 0 170 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 58.4 35.7 42.3 30.3 2 8 A L - 0 0 115 1,-0.1 2,-0.1 480,-0.0 411,-0.0 -0.605 360.0-119.9 -63.5 132.6 37.4 45.0 28.3 3 9 A A - 0 0 15 -2,-0.3 2,-0.3 410,-0.2 410,-0.1 -0.441 30.5-152.9 -72.7 155.9 35.7 45.2 24.9 4 10 A T - 0 0 73 408,-0.3 2,-0.3 -2,-0.1 -1,-0.0 -0.932 14.7-175.8-130.0 155.5 37.9 44.5 21.8 5 11 A T - 0 0 27 -2,-0.3 3,-0.2 408,-0.1 404,-0.1 -0.970 25.5-150.6-141.7 155.8 37.8 45.5 18.2 6 12 A W S > S+ 0 0 12 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 0.257 74.6 103.7 -99.6 6.7 40.0 44.7 15.1 7 13 A A T 3 S+ 0 0 6 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.761 76.6 51.4 -62.2 -24.5 39.2 48.1 13.6 8 14 A A T 3 S+ 0 0 27 1,-0.2 464,-3.5 -3,-0.2 -1,-0.3 0.394 78.7 102.9 -95.2 5.3 42.6 49.5 14.5 9 15 A R < - 0 0 77 -3,-1.5 -1,-0.2 462,-0.2 -2,-0.1 0.761 56.4-169.6 -59.8 -36.9 44.8 46.8 13.0 10 16 A G - 0 0 3 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.1 -0.268 20.4-114.9 63.7-161.2 45.9 48.5 9.7 11 17 A W B -A 469 0A 20 458,-2.3 458,-2.8 -2,-0.0 2,-0.3 -0.995 16.6-146.8-161.0 163.2 47.7 46.2 7.2 12 18 A V - 0 0 75 -2,-0.3 2,-0.3 456,-0.2 456,-0.2 -0.807 48.3 -76.1-121.1 169.7 50.8 45.2 5.3 13 19 A E + 0 0 137 -2,-0.3 2,-0.3 0, 0.0 454,-0.1 -0.533 58.2 171.9 -63.3 123.4 51.3 43.8 1.8 14 20 A E - 0 0 120 -2,-0.3 2,-0.2 101,-0.1 -3,-0.0 -0.983 36.9-104.7-131.8 149.4 50.4 40.1 1.8 15 21 A E - 0 0 184 -2,-0.3 101,-0.1 1,-0.1 2,-0.0 -0.523 45.2-111.9 -58.6 131.2 50.0 37.4 -0.9 16 22 A G - 0 0 61 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.283 22.1-117.3 -58.6 145.5 46.4 36.5 -1.6 17 23 A I - 0 0 19 96,-0.1 2,-0.7 2,-0.1 -1,-0.1 -0.698 22.7-144.5 -78.3 139.0 44.9 33.2 -0.8 18 24 A G + 0 0 75 -2,-0.4 2,-0.4 4,-0.0 -1,-0.0 -0.920 35.8 153.2-108.8 104.8 43.8 31.3 -3.9 19 25 A S > - 0 0 15 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.892 28.1-172.0-134.8 109.9 40.7 29.4 -3.0 20 26 A A H > S+ 0 0 91 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.931 91.9 50.3 -62.2 -48.6 38.1 28.6 -5.7 21 27 A T H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 111.2 46.5 -56.5 -48.2 35.7 27.3 -3.0 22 28 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 112.2 51.1 -64.2 -41.7 35.9 30.4 -0.7 23 29 A G H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.933 112.1 46.7 -61.4 -46.0 35.5 32.7 -3.7 24 30 A R H X S+ 0 0 134 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.944 114.7 46.2 -60.1 -45.8 32.4 30.9 -4.9 25 31 A L H X S+ 0 0 10 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.891 113.3 49.1 -68.7 -35.3 30.8 30.7 -1.3 26 32 A V H >< S+ 0 0 7 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.913 112.1 47.4 -70.8 -43.8 31.5 34.4 -0.6 27 33 A R H 3< S+ 0 0 158 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.827 112.1 52.0 -63.7 -31.3 30.0 35.5 -4.0 28 34 A A H >X S+ 0 0 34 -4,-1.9 4,-1.5 -5,-0.2 3,-1.0 0.618 82.9 97.9 -80.9 -13.3 27.0 33.3 -3.4 29 35 A W H S+ 0 0 2 182,-0.2 4,-3.1 1,-0.2 7,-0.1 0.888 98.7 59.7 -60.2 -37.3 18.8 33.3 5.5 35 41 A V H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.845 114.5 35.6 -60.1 -33.0 19.4 36.8 7.0 36 42 A V H 4 S+ 0 0 18 -3,-0.4 -1,-0.2 -7,-0.2 -2,-0.2 0.834 131.0 29.1 -86.7 -35.9 19.1 38.3 3.5 37 43 A N H < S+ 0 0 79 -4,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.580 129.8 28.6-109.5 -13.2 16.4 36.0 2.1 38 44 A K S >< S+ 0 0 114 -4,-3.1 3,-1.1 -5,-0.2 -1,-0.1 -0.102 72.7 128.8-140.1 31.8 14.2 34.8 5.0 39 45 A A T 3 + 0 0 3 1,-0.3 -4,-0.1 -4,-0.2 -2,-0.1 0.740 64.5 68.4 -68.2 -22.7 14.5 37.7 7.4 40 46 A D T >> S+ 0 0 74 306,-0.1 3,-1.1 305,-0.1 4,-0.6 0.076 71.9 148.5 -87.8 19.2 10.7 37.9 7.9 41 47 A I T <4 + 0 0 8 -3,-1.1 -3,-0.0 1,-0.3 98,-0.0 -0.445 67.0 1.9 -52.3 126.8 11.0 34.5 9.6 42 48 A L T 34 S+ 0 0 21 1,-0.1 -1,-0.3 -2,-0.1 3,-0.1 0.903 91.1 108.3 52.3 29.2 8.2 34.5 12.3 43 49 A D T <4 + 0 0 37 -3,-1.1 -2,-0.1 2,-0.0 -1,-0.1 0.417 64.5 74.9 -90.9 -66.8 6.8 37.2 11.8 44 50 A E S < S- 0 0 92 -4,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.409 76.5-144.1 -19.9 147.7 3.7 35.3 10.2 45 51 A W - 0 0 151 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.771 35.7 -49.7 -97.1 -86.1 1.7 33.7 13.1 46 52 A A - 0 0 51 1,-0.1 -1,-0.0 2,-0.1 0, 0.0 -0.806 24.7-173.7-178.6 129.7 -0.0 30.4 12.6 47 53 A D + 0 0 156 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.411 64.2 177.3 -80.0 44.0 -2.0 27.5 11.3 48 54 A Y - 0 0 59 1,-0.1 2,-0.6 159,-0.0 -2,-0.1 -0.397 21.7-166.0 -66.5 118.3 -0.8 26.3 14.7 49 55 A D > - 0 0 85 -2,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.914 10.3-155.1-104.2 116.7 -2.0 22.8 15.8 50 56 A T T 3 S+ 0 0 84 -2,-0.6 -1,-0.1 1,-0.3 157,-0.1 0.732 90.8 61.7 -66.0 -22.0 -1.4 22.2 19.6 51 57 A L T 3 S+ 0 0 148 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.536 78.4 99.8 -84.0 -6.6 -1.4 18.4 19.1 52 58 A V S < S- 0 0 35 -3,-1.6 154,-0.1 1,-0.1 155,-0.1 -0.703 82.5-117.4 -80.0 125.3 1.6 18.5 16.8 53 59 A P - 0 0 50 0, 0.0 154,-2.3 0, 0.0 -2,-0.1 -0.317 8.2-142.3 -63.3 149.7 4.7 17.6 18.9 54 60 A D S S+ 0 0 3 152,-0.2 152,-0.1 23,-0.1 27,-0.1 0.724 86.1 27.1 -76.3 -23.5 7.6 20.1 19.5 55 61 A Y S S- 0 0 8 150,-0.1 2,-0.5 151,-0.1 -1,-0.1 -0.945 90.7-102.3-148.2 139.7 10.4 17.4 19.4 56 62 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.685 17.4-153.9 -78.4 124.3 10.6 14.1 17.6 57 63 A L G > S+ 0 0 92 -2,-0.5 3,-2.1 1,-0.3 6,-0.3 0.847 91.2 75.3 -59.3 -32.3 10.0 11.1 20.0 58 64 A E G 3 S+ 0 0 171 1,-0.3 -1,-0.3 -3,-0.1 5,-0.0 0.702 102.6 37.5 -49.6 -28.4 12.2 9.1 17.5 59 65 A I G < S+ 0 0 46 -3,-1.7 -1,-0.3 140,-0.0 -2,-0.2 0.239 83.1 109.7-114.2 12.3 15.3 10.9 18.8 60 66 A V X - 0 0 7 -3,-2.1 3,-2.2 1,-0.2 4,-0.3 -0.804 64.7-146.4 -85.5 114.9 14.4 11.1 22.5 61 67 A P T 3 S+ 0 0 51 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.763 94.1 38.2 -65.6 -16.7 17.0 8.5 23.8 62 68 A F T > S+ 0 0 7 1,-0.1 3,-1.6 2,-0.1 6,-0.2 0.044 75.0 121.9-113.7 21.9 14.6 7.4 26.6 63 69 A A T < S+ 0 0 15 -3,-2.2 -1,-0.1 1,-0.3 -5,-0.1 0.873 83.8 37.9 -55.7 -37.8 11.3 7.5 24.8 64 70 A E T 3 S+ 0 0 174 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.288 84.1 127.1-100.4 7.6 10.6 3.8 25.5 65 71 A H X> - 0 0 36 -3,-1.6 4,-2.7 1,-0.1 3,-1.8 -0.533 63.1-132.3 -68.4 127.6 12.1 3.7 29.0 66 72 A P H 3> S+ 0 0 93 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.797 107.1 54.2 -55.0 -35.1 9.5 2.2 31.4 67 73 A L H 34 S+ 0 0 59 2,-0.2 4,-0.1 1,-0.2 209,-0.1 0.785 111.7 44.9 -69.9 -25.6 9.9 5.0 33.9 68 74 A F H X4 S+ 0 0 5 -3,-1.8 3,-1.3 -6,-0.2 -1,-0.2 0.895 113.2 50.6 -79.3 -41.7 9.2 7.6 31.2 69 75 A L H 3< S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.1 0.784 104.6 59.3 -64.1 -26.4 6.2 5.5 29.9 70 76 A A T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.535 88.0 93.1 -83.0 -7.8 4.9 5.4 33.5 71 77 A A S < S- 0 0 4 -3,-1.3 204,-0.1 -4,-0.1 203,-0.1 -0.451 89.9 -90.3 -81.1 162.2 4.6 9.2 33.8 72 78 A E >> - 0 0 103 -2,-0.1 4,-2.0 1,-0.1 3,-0.6 -0.306 36.7-110.4 -67.7 153.3 1.4 11.0 33.0 73 79 A P H 3> S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.903 118.5 53.2 -50.0 -44.9 1.0 12.3 29.4 74 80 A H H 3> S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.804 107.4 52.1 -65.6 -30.5 1.4 16.0 30.5 75 81 A Q H <> S+ 0 0 11 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.898 112.0 46.1 -65.3 -44.4 4.7 15.1 32.2 76 82 A R H X S+ 0 0 82 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.896 113.4 48.1 -67.0 -40.9 6.0 13.5 29.0 77 83 A Q H X S+ 0 0 80 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.925 110.2 53.1 -64.7 -44.0 4.8 16.3 26.7 78 84 A R H X S+ 0 0 121 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.872 110.1 47.2 -59.2 -38.6 6.4 18.8 29.1 79 85 A V H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.930 112.2 49.7 -67.5 -44.7 9.7 17.0 28.9 80 86 A L H X S+ 0 0 23 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.905 114.1 45.3 -63.4 -40.2 9.4 16.8 25.0 81 87 A T H X S+ 0 0 9 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.895 111.5 52.7 -67.8 -41.3 8.7 20.5 24.9 82 88 A G H X S+ 0 0 4 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.877 107.1 53.0 -61.1 -37.2 11.5 21.2 27.4 83 89 A M H X S+ 0 0 18 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.882 107.1 51.1 -68.4 -37.4 13.9 19.2 25.1 84 90 A W H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.941 112.9 46.7 -57.6 -50.9 12.9 21.4 22.1 85 91 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.930 112.9 48.3 -57.0 -47.2 13.6 24.4 24.2 86 92 A G H X S+ 0 0 23 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.813 105.5 59.2 -66.6 -29.9 16.9 23.0 25.4 87 93 A Y H X S+ 0 0 6 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.902 108.4 44.8 -61.7 -41.2 17.8 22.1 21.8 88 94 A N H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.861 110.7 52.9 -71.8 -42.2 17.5 25.8 20.9 89 95 A E H X S+ 0 0 15 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.919 109.4 52.0 -56.7 -44.2 19.5 26.9 24.0 90 96 A R H X S+ 0 0 23 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.907 109.4 47.7 -55.5 -50.3 22.2 24.5 22.9 91 97 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.950 114.9 45.1 -60.9 -46.5 22.4 26.0 19.4 92 98 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.930 112.6 50.5 -62.0 -45.4 22.5 29.5 20.7 93 99 A A H X S+ 0 0 5 -4,-2.8 4,-3.4 1,-0.2 5,-0.5 0.867 109.7 53.7 -63.7 -32.9 25.1 28.6 23.4 94 100 A T H X>S+ 0 0 1 -4,-2.2 5,-2.6 -5,-0.2 4,-1.7 0.924 109.1 46.7 -67.4 -44.2 27.2 27.0 20.6 95 101 A E H <>S+ 0 0 0 -4,-2.3 5,-3.1 3,-0.2 -2,-0.2 0.958 121.6 38.0 -57.5 -48.9 27.1 30.1 18.4 96 102 A Q H <5S+ 0 0 20 -4,-2.5 224,-0.3 -5,-0.2 -2,-0.2 0.832 127.4 29.1 -81.9 -35.2 28.1 32.3 21.4 97 103 A L H <5S+ 0 0 5 -4,-3.4 -3,-0.2 -5,-0.2 222,-0.2 0.690 134.5 18.7 -95.7 -24.1 30.6 30.1 23.3 98 104 A I T X5S+ 0 0 1 -4,-1.7 4,-1.1 -5,-0.5 -3,-0.2 0.814 125.0 34.1-114.4 -60.8 32.1 28.0 20.4 99 105 A A H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.891 111.7 51.4 -63.9 -34.9 35.0 33.2 19.6 102 108 A A H X S+ 0 0 5 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.941 111.9 45.3 -63.4 -45.4 36.7 31.0 17.0 103 109 A F H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.848 109.1 58.1 -63.2 -34.7 35.6 33.4 14.2 104 110 A D H X S+ 0 0 56 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.908 101.9 54.0 -66.5 -38.1 36.7 36.4 16.4 105 111 A L H <>S+ 0 0 27 -4,-2.0 5,-1.8 1,-0.2 6,-0.3 0.924 109.9 47.5 -60.6 -42.4 40.3 34.9 16.6 106 112 A V H ><5S+ 0 0 4 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.942 110.2 51.1 -64.1 -45.9 40.4 34.8 12.8 107 113 A M H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.9 55.7 -63.0 -27.9 39.1 38.4 12.5 108 114 A H T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.419 111.8-121.6 -86.8 3.8 41.8 39.5 15.0 109 115 A G T < 5 + 0 0 23 -3,-1.8 -3,-0.2 -4,-0.2 6,-0.2 0.708 60.9 148.2 70.9 26.8 44.6 38.1 12.8 110 116 A V < + 0 0 57 -5,-1.8 -4,-0.1 4,-0.1 -1,-0.1 0.679 58.6 56.4 -67.8 -21.7 45.9 35.8 15.6 111 117 A F S > S- 0 0 2 -6,-0.3 3,-2.1 -5,-0.2 4,-0.2 -0.920 97.3-100.8-114.6 138.5 47.0 33.0 13.1 112 118 A P T 3 S+ 0 0 61 0, 0.0 126,-0.3 0, 0.0 -2,-0.1 -0.325 112.2 25.8 -53.6 131.7 49.4 33.4 10.1 113 119 A G T > S+ 0 0 22 -4,-0.1 3,-1.1 125,-0.1 6,-0.2 0.163 91.2 104.7 98.1 -16.0 47.4 33.7 6.9 114 120 A S T < + 0 0 0 -3,-2.1 -5,-0.2 1,-0.2 -4,-0.1 0.632 63.2 73.8 -77.8 -9.3 44.2 35.1 8.7 115 121 A D T 3 + 0 0 58 -4,-0.2 -1,-0.2 -6,-0.2 -101,-0.1 0.629 67.2 123.3 -75.8 -11.1 44.8 38.7 7.5 116 122 A D <> - 0 0 12 -3,-1.1 4,-2.4 1,-0.1 5,-0.2 -0.276 64.0-137.3 -58.6 128.5 43.7 37.7 4.0 117 123 A P H > S+ 0 0 38 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.803 102.8 51.9 -57.3 -33.6 40.7 39.9 2.7 118 124 A L H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 110.0 48.0 -72.6 -43.8 38.9 36.9 1.3 119 125 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.948 114.2 48.8 -53.2 -47.9 39.2 34.9 4.5 120 126 A R H X S+ 0 0 8 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54.7 42.7 559 249 B Q H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.948 114.7 54.4 -54.7 -52.5 21.6 53.4 39.1 560 250 B R H X S+ 0 0 64 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.851 109.0 48.0 -50.8 -42.6 19.5 56.4 38.1 561 251 B R H X S+ 0 0 130 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.944 109.6 51.1 -67.4 -49.6 22.1 58.8 39.5 562 252 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.884 108.6 53.4 -52.4 -41.7 25.1 57.1 37.7 563 253 B L H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.946 109.4 47.5 -61.8 -51.6 23.2 57.2 34.4 564 254 B V H < S+ 0 0 47 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.5 48.3 -53.3 -46.4 22.7 61.0 34.8 565 255 B R H X S+ 0 0 127 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.880 111.4 50.8 -62.7 -39.1 26.4 61.5 35.7 566 256 B C H X S+ 0 0 3 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.860 93.2 76.4 -69.7 -33.9 27.5 59.3 32.7 567 257 B L H X S+ 0 0 15 -4,-2.0 4,-2.1 1,-0.2 3,-0.4 0.900 94.7 44.3 -47.3 -61.2 25.5 61.2 30.1 568 258 B P H > S+ 0 0 48 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.875 115.5 45.9 -55.7 -42.8 27.6 64.4 29.8 569 259 B I H X S+ 0 0 71 -4,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.831 110.0 55.3 -71.7 -28.3 31.0 62.6 29.6 570 260 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 -3,-0.4 -1,-0.2 0.923 106.9 51.4 -66.6 -42.8 29.7 60.0 27.1 571 261 B L H X S+ 0 0 35 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.900 111.7 45.1 -60.8 -46.7 28.6 62.9 24.8 572 262 B E H X S+ 0 0 96 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.902 114.6 48.7 -60.7 -47.3 32.0 64.6 24.9 573 263 B A H < S+ 0 0 2 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.875 110.6 51.3 -60.7 -39.5 33.8 61.2 24.4 574 264 B F H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.2 42.3 -64.5 -41.4 31.5 60.4 21.4 575 265 B A H < S+ 0 0 0 -4,-1.9 35,-2.9 -5,-0.2 36,-1.7 0.553 87.8 125.1 -78.8 -15.9 32.1 63.7 19.7 576 266 B E B < -D 609 0D 40 -4,-1.0 2,-0.4 -3,-0.3 33,-0.3 -0.176 56.8-132.2 -62.7 136.9 36.0 63.9 20.3 577 267 B Q - 0 0 16 31,-3.4 2,-1.1 -101,-0.1 3,-0.1 -0.742 20.6-132.2 -78.9 131.1 38.5 64.4 17.5 578 268 B D > + 0 0 15 -2,-0.4 4,-1.9 1,-0.2 3,-0.4 -0.714 27.5 178.5 -88.1 98.8 41.4 61.9 17.8 579 269 B L H > S+ 0 0 21 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.795 80.1 59.3 -74.5 -25.2 44.4 64.1 17.5 580 270 B S H > S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.819 108.7 46.7 -71.8 -25.4 46.8 61.2 18.0 581 271 B A H > S+ 0 0 23 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.857 109.9 52.1 -76.0 -40.3 45.1 59.6 14.9 582 272 B L H X S+ 0 0 11 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.907 110.0 49.3 -64.6 -41.1 45.3 62.8 12.8 583 273 B L H X S+ 0 0 53 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.867 108.3 53.6 -63.6 -41.0 49.0 63.1 13.6 584 274 B L H X S+ 0 0 50 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.928 109.6 48.6 -58.9 -45.6 49.6 59.4 12.6 585 275 B E H X S+ 0 0 20 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.885 111.1 49.0 -60.2 -42.6 47.9 60.1 9.2 586 276 B L H <>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 -1,-0.2 0.893 112.1 48.5 -69.8 -39.8 50.0 63.2 8.5 587 277 B N H ><5S+ 0 0 91 -4,-2.2 3,-1.0 3,-0.2 -1,-0.2 0.821 106.2 58.4 -63.8 -34.5 53.2 61.4 9.4 588 278 B A H 3<5S+ 0 0 45 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.876 107.2 45.3 -68.4 -37.3 52.2 58.5 7.1 589 279 B A T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.351 117.5-120.5 -84.6 6.8 52.0 60.9 4.1 590 280 B G T < 5 - 0 0 45 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.754 45.2-179.9 63.3 28.6 55.3 62.3 5.3 591 281 B I > < - 0 0 7 -5,-2.7 3,-0.9 -6,-0.2 2,-0.4 -0.390 29.1-118.4 -66.0 135.9 53.9 65.8 5.7 592 282 B R T 3 S+ 0 0 142 -209,-0.3 -205,-0.1 1,-0.3 -206,-0.1 -0.631 93.5 13.0 -82.3 125.4 56.5 68.2 7.0 593 283 B G T 3> S+ 0 0 21 -2,-0.4 4,-2.2 3,-0.1 -1,-0.3 0.852 72.9 152.2 76.7 36.6 55.7 69.8 10.4 594 284 B A H <> S+ 0 0 2 -3,-0.9 4,-2.5 1,-0.2 5,-0.3 0.927 71.9 57.9 -59.5 -47.3 52.8 67.4 11.2 595 285 B E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 109.3 45.9 -47.2 -41.6 53.6 68.0 15.0 596 286 B E H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 108.1 53.3 -75.3 -45.9 53.0 71.7 14.4 597 287 B I H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.938 115.0 43.5 -50.1 -48.8 49.8 71.4 12.4 598 288 B V H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.886 110.4 54.5 -71.5 -39.2 48.4 69.2 15.2 599 289 B G H X S+ 0 0 11 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.902 109.9 48.0 -55.4 -43.4 49.7 71.5 18.0 600 290 B D H < S+ 0 0 63 -4,-2.5 4,-0.4 2,-0.2 3,-0.4 0.888 110.0 52.0 -66.5 -41.2 47.9 74.5 16.3 601 291 B L H >< S+ 0 0 16 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.911 107.1 52.6 -60.6 -43.3 44.7 72.4 16.0 602 292 B R H 3< S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.738 108.1 52.6 -62.8 -25.5 44.9 71.6 19.7 603 293 B S T 3< S+ 0 0 108 -4,-1.0 -1,-0.3 -3,-0.4 2,-0.2 0.492 96.1 94.3 -86.7 -5.4 45.2 75.3 20.5 604 294 B T S X S- 0 0 81 -3,-1.3 3,-1.7 -4,-0.4 4,-0.3 -0.561 86.0 -99.8 -95.4 151.7 42.1 76.1 18.4 605 295 B A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.514 112.2 7.8 -67.1 128.6 38.5 76.5 19.5 606 296 B G T > S+ 0 0 56 -2,-0.3 3,-1.5 -4,-0.1 -1,-0.3 0.583 92.6 134.5 72.6 12.2 36.5 73.3 18.8 607 297 B G T < + 0 0 5 -3,-1.7 -2,-0.1 1,-0.3 -5,-0.1 0.805 69.6 45.3 -64.4 -34.4 39.9 71.7 17.9 608 298 B T T 3 S+ 0 0 66 -4,-0.3 -31,-3.4 -6,-0.1 2,-0.5 0.273 100.1 90.4 -90.4 8.3 39.3 68.5 19.9 609 299 B R B < +D 576 0D 85 -3,-1.5 -33,-0.2 -33,-0.3 3,-0.1 -0.936 36.7 165.5-119.4 124.3 35.7 68.1 18.5 610 300 B L S S+ 0 0 17 -35,-2.9 2,-0.6 -2,-0.5 -34,-0.2 0.832 71.6 54.4 -95.4 -49.3 34.6 66.2 15.4 611 301 B V + 0 0 2 -36,-1.7 -1,-0.2 1,-0.1 -99,-0.1 -0.841 54.1 172.0 -98.2 119.7 30.9 65.9 15.9 612 302 B R + 0 0 202 -2,-0.6 2,-0.5 -101,-0.1 -1,-0.1 0.750 57.0 78.7 -91.3 -33.1 29.0 69.3 16.5 613 303 B D + 0 0 79 1,-0.1 -102,-0.1 -105,-0.1 3,-0.1 -0.732 39.6 163.2 -90.5 121.9 25.4 68.1 16.4 614 304 B F >> + 0 0 57 -2,-0.5 4,-1.9 1,-0.1 3,-0.9 0.152 34.8 122.0-117.6 18.2 23.9 66.3 19.4 615 305 B S H 3> S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.727 70.9 62.5 -55.7 -22.4 20.1 66.6 18.6 616 306 B G H 3> S+ 0 0 17 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.923 107.5 39.3 -69.2 -45.8 19.8 62.8 18.8 617 307 B A H <> S+ 0 0 3 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.806 108.6 65.1 -74.9 -30.3 20.8 62.6 22.4 618 308 B R H X S+ 0 0 123 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.913 101.1 50.7 -48.3 -49.1 18.8 65.7 23.1 619 309 B K H X S+ 0 0 94 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.798 109.4 49.6 -64.5 -33.9 15.7 63.7 22.1 620 310 B M H X S+ 0 0 3 -4,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.871 109.6 49.8 -73.6 -42.8 16.5 60.9 24.5 621 311 B V H <>S+ 0 0 20 -4,-2.2 5,-2.7 2,-0.2 3,-0.3 0.915 110.5 52.7 -62.4 -44.2 17.1 63.1 27.5 622 312 B E H ><5S+ 0 0 71 -4,-2.3 3,-2.0 3,-0.2 5,-0.2 0.956 108.9 49.2 -50.3 -54.0 13.8 64.8 26.7 623 313 B Q H 3<5S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.699 109.5 49.5 -70.0 -22.1 12.0 61.4 26.7 624 314 B L T 3<5S- 0 0 21 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.383 115.3-121.4 -89.0 0.9 13.5 60.3 30.0 625 315 B G T < 5S+ 0 0 58 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.905 76.0 125.8 60.2 47.7 12.3 63.7 31.3 626 316 B L < + 0 0 26 -5,-2.7 -4,-0.2 1,-0.1 -1,-0.1 0.003 15.3 150.9-122.6 27.9 15.8 64.8 32.3 627 317 B D + 0 0 76 -6,-0.2 2,-1.9 -5,-0.2 -1,-0.1 0.667 53.6 89.5 -40.6 -26.7 16.1 68.1 30.4 628 318 B D 0 0 147 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 -0.551 360.0 360.0 -74.8 81.4 18.5 69.3 33.1 629 319 B A 0 0 108 -2,-1.9 -1,-0.2 -62,-0.0 -2,-0.1 0.332 360.0 360.0 -29.9 360.0 21.7 68.0 31.5