==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JUL-10 3NV6 . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR W.YANG,S.G.BELL,H.WANG,W.H.ZHOU,M.BARTLAM,L.L.WONG,Z.RAO . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 2 2 1 1 2 1 0 2 0 1 2 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 11 A A 0 0 132 0, 0.0 49,-0.5 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 92.6 5.9 16.8 36.9 2 12 A K B -A 49 0A 108 47,-0.1 2,-0.3 48,-0.1 47,-0.2 -0.853 360.0-137.3-112.4 143.6 8.6 14.4 35.7 3 13 A V - 0 0 65 45,-2.3 2,-0.1 -2,-0.4 49,-0.1 -0.663 30.5-101.0 -96.4 149.9 8.3 11.2 33.7 4 14 A E - 0 0 177 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.435 45.7 -98.0 -64.9 144.0 10.2 8.0 34.5 5 15 A R - 0 0 115 -2,-0.1 -1,-0.1 1,-0.1 6,-0.1 -0.551 41.0-131.4 -70.7 118.8 13.2 7.4 32.2 6 16 A P > - 0 0 46 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.285 20.4-110.4 -66.9 155.0 12.3 4.9 29.4 7 17 A A T 3 S+ 0 0 114 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.714 116.5 61.1 -58.1 -24.8 14.5 1.8 28.5 8 18 A N T 3 S+ 0 0 25 299,-0.1 300,-0.4 2,-0.1 -1,-0.3 0.488 88.3 84.1 -83.3 0.5 15.5 3.5 25.2 9 19 A V S < S- 0 0 3 -3,-2.1 2,-0.2 298,-0.1 5,-0.1 -0.903 75.8-137.6-106.4 115.6 17.1 6.5 27.0 10 20 A P > - 0 0 46 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.521 18.1-127.1 -65.6 135.9 20.8 6.0 28.2 11 21 A E G > S+ 0 0 149 1,-0.3 3,-1.4 -2,-0.2 -2,-0.0 0.817 108.4 62.0 -54.2 -33.7 21.3 7.5 31.7 12 22 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.416 99.3 55.9 -79.2 5.5 24.2 9.5 30.4 13 23 A R G < S+ 0 0 40 -3,-2.6 33,-2.2 32,-0.1 2,-0.4 0.395 80.0 114.0-109.6 -2.4 21.9 11.4 28.0 14 24 A V B < +b 46 0B 46 -3,-1.4 2,-0.4 -4,-0.3 33,-0.2 -0.581 36.8 171.2 -77.6 121.5 19.5 12.6 30.6 15 25 A Y - 0 0 61 31,-3.2 2,-1.6 -2,-0.4 -2,-0.0 -0.994 35.7-127.8-126.8 140.3 19.4 16.4 31.1 16 26 A E + 0 0 123 -2,-0.4 2,-0.5 31,-0.2 31,-0.1 -0.581 49.3 156.1 -90.4 81.8 16.8 18.1 33.3 17 27 A I - 0 0 16 -2,-1.6 2,-0.7 32,-0.1 32,-0.3 -0.904 30.8-164.6-114.8 126.1 15.6 20.6 30.8 18 28 A D > - 0 0 47 -2,-0.5 3,-2.3 3,-0.4 -2,-0.0 -0.919 8.2-159.1-109.8 108.7 12.2 22.4 30.9 19 29 A M T 3 S+ 0 0 0 -2,-0.7 3,-0.3 1,-0.3 -1,-0.1 0.642 93.4 51.5 -64.7 -16.8 11.7 24.0 27.5 20 30 A Y T 3 S+ 0 0 94 1,-0.2 370,-0.4 369,-0.0 -1,-0.3 0.401 122.0 28.7 -96.5 -3.5 9.1 26.3 29.1 21 31 A A S < S- 0 0 53 -3,-2.3 -3,-0.4 368,-0.1 -1,-0.2 -0.510 76.9-177.2-159.6 71.1 11.4 27.4 32.0 22 32 A L > - 0 0 9 -3,-0.3 3,-1.4 -5,-0.1 2,-0.2 -0.496 39.2 -97.6 -69.1 146.1 15.0 27.3 30.9 23 33 A N T 3 S+ 0 0 150 1,-0.2 12,-0.1 9,-0.2 -1,-0.1 -0.516 108.9 14.1 -62.1 131.1 17.6 28.3 33.6 24 34 A G T > S+ 0 0 21 -2,-0.2 3,-2.2 -3,-0.0 -1,-0.2 0.617 76.6 144.5 77.3 16.6 18.7 31.9 33.2 25 35 A I G X + 0 0 30 -3,-1.4 3,-2.9 1,-0.3 7,-0.2 0.848 64.1 69.7 -48.7 -38.0 15.8 32.9 30.8 26 36 A E G 3 S+ 0 0 123 1,-0.3 -1,-0.3 361,-0.1 3,-0.1 0.662 95.4 54.6 -64.8 -14.8 15.8 36.3 32.5 27 37 A D G < S- 0 0 106 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.378 130.9 -53.2 -94.4 4.0 19.1 37.0 30.9 28 38 A G <> - 0 0 0 -3,-2.9 4,-2.6 -4,-0.2 -1,-0.3 -0.221 38.4-115.4 132.9 138.1 17.9 36.2 27.3 29 39 A Y H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 118.1 43.6 -63.0 -44.8 16.1 33.5 25.5 30 40 A H H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.892 113.3 51.5 -70.9 -40.3 19.1 32.8 23.2 31 41 A E H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 110.2 49.8 -58.9 -48.4 21.5 33.0 26.1 32 42 A A H X S+ 0 0 1 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.914 113.4 45.0 -61.9 -47.7 19.4 30.5 28.1 33 43 A W H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.7 0.911 111.8 52.9 -60.9 -42.4 19.3 28.0 25.2 34 44 A K H 3< S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 102.4 58.1 -63.8 -30.7 23.0 28.5 24.5 35 45 A K H 3< S+ 0 0 150 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.758 102.0 56.1 -72.6 -20.6 23.8 27.7 28.2 36 46 A V H << S+ 0 0 24 -4,-0.9 2,-1.9 -3,-0.7 -1,-0.2 0.893 96.1 69.7 -66.8 -40.8 22.1 24.3 27.6 37 47 A Q S < S+ 0 0 23 -4,-1.2 -1,-0.2 -3,-0.1 3,-0.1 -0.447 71.8 171.7 -85.8 67.5 24.5 23.6 24.7 38 48 A H > - 0 0 79 -2,-1.9 3,-1.6 -3,-0.2 2,-0.1 -0.276 46.7 -75.1 -69.5 161.5 27.7 23.1 26.6 39 49 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.422 118.4 13.5 -63.5 130.8 30.9 21.8 24.8 40 50 A G T 3 S+ 0 0 78 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 0.485 83.7 156.6 83.2 4.5 30.7 18.1 24.0 41 51 A I < - 0 0 16 -3,-1.6 -1,-0.3 1,-0.1 16,-0.1 -0.354 52.9 -99.6 -56.1 135.5 26.9 17.7 24.7 42 52 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.241 26.3-116.9 -56.2 152.6 25.5 14.7 22.8 43 53 A D S S+ 0 0 48 1,-0.2 14,-2.6 13,-0.1 2,-0.5 0.844 105.8 33.6 -53.8 -38.6 23.7 15.5 19.5 44 54 A L E S+ C 0 56B 0 261,-0.3 2,-0.2 12,-0.2 12,-0.2 -0.986 74.1 172.5-126.0 122.1 20.5 14.1 21.1 45 55 A I E - C 0 55B 0 10,-2.5 10,-2.1 -2,-0.5 2,-0.3 -0.626 19.5-135.0-114.1-176.8 19.7 14.4 24.8 46 56 A W E -bC 14 54B 9 -33,-2.2 -31,-3.2 8,-0.3 8,-0.2 -0.999 10.6-164.8-146.8 138.0 16.6 13.6 26.8 47 57 A T E - C 0 53B 0 6,-2.5 6,-2.2 -2,-0.3 -31,-0.2 -0.959 19.2-148.6-124.2 142.5 14.5 15.3 29.5 48 58 A P S S+ 0 0 5 0, 0.0 -45,-2.3 0, 0.0 3,-0.4 0.549 75.3 95.6 -82.7 -14.3 11.9 13.8 31.9 49 59 A F B > S+A 2 0A 45 -32,-0.3 3,-1.6 -47,-0.2 4,-0.2 -0.372 78.6 25.6 -69.8 156.8 10.0 17.2 31.9 50 60 A T T 3 S- 0 0 25 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.841 141.9 -46.4 62.2 40.4 7.1 18.0 29.5 51 61 A G T 3 S- 0 0 50 -3,-0.4 -1,-0.3 -50,-0.4 -2,-0.2 0.265 104.3 -73.4 86.5 -8.4 6.0 14.3 29.1 52 62 A G S < S+ 0 0 17 -3,-1.6 2,-0.3 1,-0.1 262,-0.3 0.616 70.7 166.3 82.7 116.2 9.6 13.2 28.5 53 63 A H E -C 47 0B 1 -6,-2.2 -6,-2.5 -4,-0.2 262,-0.2 -0.996 34.5-107.4-158.3 159.0 11.3 13.9 25.1 54 64 A W E -Cd 46 315B 1 260,-3.0 262,-2.9 -2,-0.3 2,-0.4 -0.460 27.7-150.3 -82.3 162.7 14.5 14.1 23.2 55 65 A I E -Cd 45 316B 0 -10,-2.1 -10,-2.5 260,-0.2 2,-0.4 -0.994 10.8-137.2-138.5 130.3 16.2 17.3 22.2 56 66 A A E -C 44 0B 0 260,-2.3 -12,-0.2 -2,-0.4 265,-0.1 -0.733 20.8-168.6 -82.3 135.1 18.3 17.9 19.2 57 67 A T + 0 0 1 -14,-2.6 2,-0.3 -2,-0.4 -13,-0.1 0.387 53.6 36.0-116.7 2.5 21.4 20.0 20.4 58 68 A N S > S- 0 0 27 -15,-0.4 4,-2.7 1,-0.1 264,-0.2 -0.915 80.9-100.3-150.8 177.2 23.2 21.2 17.3 59 69 A G H > S+ 0 0 0 262,-0.3 4,-2.9 -2,-0.3 5,-0.3 0.918 115.8 54.0 -70.1 -45.5 22.8 22.5 13.8 60 70 A D H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 114.8 40.7 -54.9 -48.6 23.6 19.3 12.1 61 71 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.942 113.6 51.1 -75.3 -40.1 20.9 17.4 14.0 62 72 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.952 112.2 49.2 -51.1 -52.7 18.2 20.1 13.9 63 73 A K H X S+ 0 0 95 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.919 112.5 48.3 -53.6 -48.5 18.7 20.3 10.1 64 74 A E H X S+ 0 0 58 -4,-2.0 4,-0.9 -5,-0.3 3,-0.4 0.909 109.1 49.3 -64.7 -47.2 18.5 16.5 9.7 65 75 A V H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.919 112.9 49.4 -59.5 -44.3 15.3 16.0 11.8 66 76 A Y H 3< S+ 0 0 7 -4,-2.2 286,-0.3 -5,-0.2 -1,-0.2 0.768 107.8 55.8 -58.3 -32.1 13.5 18.8 9.9 67 77 A S H 3< S+ 0 0 62 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.686 97.2 63.8 -82.9 -17.7 14.5 17.3 6.5 68 78 A D > S- 0 0 42 0, 0.0 4,-2.2 0, 0.0 3,-0.9 0.518 82.9-138.7 -72.3 155.9 3.8 18.1 25.5 81 91 A K H 3> S+ 0 0 59 -31,-0.4 4,-3.6 1,-0.2 5,-0.3 0.859 98.6 58.0 -52.5 -47.3 2.6 15.4 23.1 82 92 A E H 3> S+ 0 0 140 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.814 111.6 42.6 -57.9 -32.8 -0.9 15.1 24.5 83 93 A A H <> S+ 0 0 31 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.915 115.7 48.1 -73.0 -47.7 -1.4 18.8 23.8 84 94 A G H < S+ 0 0 2 -4,-2.2 -7,-0.3 -6,-0.4 -2,-0.2 0.844 110.6 52.3 -61.1 -38.7 0.2 18.6 20.3 85 95 A E H < S+ 0 0 78 -4,-3.6 3,-0.4 -5,-0.2 -1,-0.2 0.856 114.0 43.9 -58.0 -40.6 -1.9 15.5 19.5 86 96 A K H < S+ 0 0 130 -4,-0.9 2,-0.4 -5,-0.3 -2,-0.2 0.764 112.4 52.9 -81.9 -29.8 -5.0 17.4 20.4 87 97 A Y < + 0 0 86 -4,-2.1 -1,-0.2 -9,-0.1 2,-0.1 -0.435 68.4 151.2-113.4 61.5 -4.1 20.7 18.6 88 98 A Q - 0 0 84 -2,-0.4 2,-0.3 -3,-0.4 -13,-0.1 -0.484 21.5-165.9 -88.1 159.6 -3.2 20.0 15.0 89 99 A M > - 0 0 68 -2,-0.1 4,-1.4 152,-0.0 5,-0.2 -0.873 33.9 -60.8-141.6 167.7 -3.7 22.5 12.1 90 100 A V T 4 S- 0 0 12 1,-0.3 151,-0.2 -2,-0.3 150,-0.0 -0.866 109.0 -14.2-108.3 127.3 -3.7 22.2 8.3 91 101 A P T >4 S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.884 116.1 81.2-108.6 20.6 -1.2 21.3 6.8 92 102 A T T 34 S+ 0 0 31 1,-0.3 -2,-0.2 7,-0.0 260,-0.1 0.687 96.8 54.4 -56.1 -17.2 1.5 21.6 9.5 93 103 A K T 3< S+ 0 0 55 -4,-1.4 2,-0.3 2,-0.1 -1,-0.3 0.602 94.8 87.6 -92.7 -11.4 0.2 18.1 10.8 94 104 A M < - 0 0 2 -3,-1.9 -5,-0.0 -5,-0.2 0, 0.0 -0.630 60.0-152.7 -93.4 142.2 0.6 16.4 7.4 95 105 A D > - 0 0 42 -2,-0.3 4,-2.5 -22,-0.1 3,-0.3 -0.607 48.0 -54.5 -90.1 166.0 3.6 14.6 5.9 96 106 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.652 119.0 35.5 -68.7 148.0 4.0 14.3 2.2 97 107 A P T >4 S+ 0 0 116 0, 0.0 3,-0.5 0, 0.0 -3,-0.0 -0.975 125.5 42.2 -83.8 -15.5 2.2 13.3 0.1 98 108 A E T 3> S+ 0 0 109 -3,-0.3 4,-0.6 1,-0.2 -4,-0.1 0.918 114.0 55.1 -54.7 -43.6 -1.0 14.6 1.9 99 109 A H H >X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 3,-0.9 0.869 90.1 79.1 -54.9 -39.7 0.8 17.9 2.7 100 110 A T H <> S+ 0 0 80 -3,-0.5 4,-2.1 1,-0.3 -1,-0.2 0.767 91.3 43.9 -50.6 -51.1 1.7 18.7 -0.9 101 111 A P H 3> S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.860 114.5 52.0 -65.8 -31.4 -1.5 20.1 -2.4 102 112 A Y H X S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 4,-0.7 0.959 111.8 49.7 -57.0 -50.3 -2.3 26.5 -2.0 106 116 A L H >X S+ 0 0 12 -4,-2.3 3,-1.6 1,-0.2 4,-1.1 0.944 105.1 57.7 -50.4 -52.8 -0.2 28.3 0.6 107 117 A D H 3X S+ 0 0 57 -4,-3.5 4,-2.3 1,-0.3 -1,-0.2 0.773 92.5 69.8 -53.6 -29.9 2.5 29.1 -2.0 108 118 A K H << S+ 0 0 78 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.883 111.2 31.0 -54.3 -42.6 -0.1 30.9 -4.1 109 119 A G H << S+ 0 0 2 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.610 129.2 38.5 -90.9 -13.3 -0.3 33.7 -1.5 110 120 A L H < S+ 0 0 11 -4,-1.1 248,-0.3 -3,-0.1 249,-0.3 0.469 75.6 126.3-122.5 -1.4 3.3 33.5 -0.2 111 121 A N S X S- 0 0 63 -4,-2.3 4,-2.9 -5,-0.2 3,-0.3 -0.190 70.4-108.4 -64.3 159.2 5.7 32.9 -3.1 112 122 A L H > S+ 0 0 113 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.858 118.3 47.5 -54.7 -45.3 8.7 35.2 -3.6 113 123 A A H > S+ 0 0 65 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.836 112.5 47.7 -68.1 -40.7 7.2 36.7 -6.8 114 124 A K H >4 S+ 0 0 36 -3,-0.3 3,-0.8 -7,-0.2 4,-0.4 0.920 109.8 54.4 -63.7 -46.6 3.8 37.3 -5.3 115 125 A I H >< S+ 0 0 5 -4,-2.9 3,-1.7 1,-0.2 4,-0.4 0.863 96.8 65.5 -58.1 -35.1 5.4 38.9 -2.2 116 126 A R H >< S+ 0 0 169 -4,-1.8 3,-1.3 1,-0.3 4,-0.2 0.905 98.8 53.6 -51.9 -42.5 7.3 41.4 -4.3 117 127 A K T << S+ 0 0 143 -3,-0.8 -1,-0.3 -4,-0.8 3,-0.2 0.596 104.0 56.9 -68.4 -11.1 4.0 43.0 -5.4 118 128 A V T <> S+ 0 0 14 -3,-1.7 4,-2.3 -4,-0.4 3,-0.3 0.401 74.6 99.7-104.8 -1.3 3.0 43.5 -1.7 119 129 A E H <> S+ 0 0 70 -3,-1.3 4,-2.5 -4,-0.4 5,-0.2 0.889 77.9 55.2 -58.3 -43.1 6.0 45.5 -0.7 120 130 A D H > S+ 0 0 124 -4,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.881 109.8 46.1 -58.6 -40.6 4.2 48.9 -1.0 121 131 A K H > S+ 0 0 107 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.885 113.5 48.7 -70.1 -41.0 1.4 47.8 1.4 122 132 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.889 110.7 51.7 -63.6 -37.8 3.9 46.4 3.9 123 133 A R H X S+ 0 0 50 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.825 107.1 53.5 -68.3 -32.5 6.0 49.6 3.7 124 134 A E H X S+ 0 0 130 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.823 106.9 50.8 -76.3 -31.3 2.9 51.6 4.4 125 135 A V H X S+ 0 0 18 -4,-1.5 4,-2.2 2,-0.2 5,-0.3 0.954 112.7 47.5 -64.4 -48.7 2.1 49.6 7.5 126 136 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 113.1 46.9 -56.9 -51.0 5.7 50.1 8.7 127 137 A S H X S+ 0 0 38 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.861 111.9 49.9 -67.2 -36.1 5.7 53.9 8.1 128 138 A S H X S+ 0 0 68 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.940 112.2 45.6 -68.6 -49.6 2.3 54.5 9.7 129 139 A L H >X S+ 0 0 14 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.940 116.0 47.2 -55.5 -47.9 3.1 52.7 12.9 130 140 A I H >X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 3,-1.2 0.875 106.1 59.0 -64.4 -36.0 6.4 54.4 13.1 131 141 A D H 3< S+ 0 0 96 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.697 93.3 69.6 -65.8 -22.3 4.8 57.8 12.3 132 142 A S H << S+ 0 0 80 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.775 119.6 11.8 -60.4 -34.9 2.7 57.4 15.5 133 143 A F H XX>S+ 0 0 0 -3,-1.2 3,-0.8 -4,-0.5 4,-0.6 0.439 94.4 100.6-130.5 -4.7 5.6 57.8 17.8 134 144 A A G ><5S+ 0 0 12 -4,-1.6 3,-0.9 1,-0.3 -3,-0.1 0.880 89.1 49.0 -52.6 -45.0 8.6 59.1 15.8 135 145 A A G 345S+ 0 0 97 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.758 100.4 68.7 -64.5 -27.4 8.0 62.7 17.1 136 146 A R G <45S- 0 0 124 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.689 93.0-136.7 -70.4 -19.3 7.7 61.5 20.7 137 147 A G T <<5S+ 0 0 17 -3,-0.9 266,-2.3 -4,-0.6 2,-0.3 0.566 78.4 53.2 71.4 6.8 11.4 60.5 21.1 138 148 A E E < +G 402 0C 94 -5,-0.6 2,-0.3 264,-0.2 264,-0.2 -0.963 54.1 157.7-164.1 153.3 10.3 57.3 22.8 139 149 A C E -G 401 0C 5 262,-1.7 262,-3.1 -2,-0.3 2,-0.9 -0.966 46.4-107.6-164.7 159.4 8.1 54.2 22.6 140 150 A D E > -G 400 0C 38 -2,-0.3 4,-3.6 260,-0.2 5,-0.4 -0.865 35.0-160.2 -88.0 103.6 7.6 50.7 23.8 141 151 A F H >>S+ 0 0 0 258,-2.7 5,-2.5 -2,-0.9 4,-1.6 0.832 86.1 49.6 -55.7 -40.5 8.7 48.9 20.6 142 152 A A H 4>S+ 0 0 1 3,-0.2 5,-2.7 257,-0.2 6,-0.3 0.965 120.1 34.9 -62.6 -52.8 7.0 45.6 21.5 143 153 A A H 45S+ 0 0 39 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.881 126.1 37.0 -72.0 -42.3 3.7 47.3 22.4 144 154 A E H <5S+ 0 0 55 -4,-3.6 -3,-0.2 3,-0.1 -1,-0.2 0.559 135.7 7.2 -96.8 -9.5 3.6 50.1 19.8 145 155 A Y T >X5S+ 0 0 0 -4,-1.6 4,-3.1 -5,-0.4 3,-0.7 0.582 123.3 46.8-125.1 -61.2 5.2 48.4 16.8 146 156 A A T 34 S+ 0 0 65 -3,-0.7 4,-2.2 -6,-0.3 5,-0.2 0.814 99.9 72.6 -97.9 -39.0 0.5 45.6 16.0 149 159 A F H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.865 96.4 48.7 -49.0 -49.7 2.6 45.2 12.7 150 160 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.921 110.2 49.3 -64.4 -44.1 1.7 41.6 11.9 151 161 A V H > S+ 0 0 6 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.918 112.2 50.0 -60.7 -43.0 -2.1 42.0 12.3 152 162 A H H X S+ 0 0 40 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.883 109.7 50.2 -60.5 -40.3 -2.0 45.1 10.1 153 163 A V H X S+ 0 0 3 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.953 109.0 53.2 -64.6 -44.5 0.0 43.2 7.4 154 164 A F H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.899 105.9 52.6 -55.1 -42.9 -2.5 40.4 7.6 155 165 A M H X>S+ 0 0 1 -4,-2.1 5,-2.5 1,-0.2 4,-0.5 0.909 112.3 46.1 -60.0 -41.3 -5.4 42.8 7.0 156 166 A A H ><5S+ 0 0 28 -4,-1.7 3,-0.7 3,-0.2 -2,-0.2 0.939 115.9 43.2 -69.3 -47.8 -3.7 44.2 4.0 157 167 A L H 3<5S+ 0 0 12 -4,-3.2 59,-2.5 1,-0.2 -1,-0.2 0.800 120.4 42.2 -69.0 -27.3 -2.8 40.8 2.5 158 168 A A H 3<5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.441 108.9-123.3 -97.6 0.3 -6.2 39.3 3.3 159 169 A D T <<5 + 0 0 100 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.984 54.4 157.3 53.5 65.5 -8.1 42.5 2.1 160 170 A L < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.962 50.8 -96.8-123.3 140.8 -9.9 43.0 5.5 161 171 A P > - 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.266 30.1-132.9 -55.9 131.7 -11.4 46.4 6.8 162 172 A L G > S+ 0 0 94 1,-0.3 3,-1.4 2,-0.2 -7,-0.1 0.706 101.3 70.9 -64.7 -17.8 -8.8 48.0 9.2 163 173 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.520 86.0 67.8 -77.3 -1.1 -11.6 48.6 11.7 164 174 A D G <> + 0 0 43 -3,-1.8 4,-2.4 1,-0.2 5,-0.3 0.418 69.8 99.4 -94.1 -1.5 -11.7 44.9 12.4 165 175 A I H <> S+ 0 0 24 -3,-1.4 4,-3.2 1,-0.2 5,-0.2 0.900 77.0 55.1 -49.6 -46.9 -8.3 45.0 14.0 166 176 A P H > S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.951 112.7 40.2 -57.6 -48.2 -9.7 45.0 17.5 167 177 A V H > S+ 0 0 45 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.914 118.3 47.6 -67.7 -39.4 -11.8 41.8 17.1 168 178 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.902 109.2 53.9 -68.0 -40.3 -9.0 40.0 15.1 169 179 A S H X S+ 0 0 43 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.2 0.862 107.8 51.5 -57.8 -38.3 -6.4 41.0 17.6 170 180 A E H X S+ 0 0 106 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.946 112.3 44.4 -64.9 -48.5 -8.5 39.5 20.4 171 181 A Y H X S+ 0 0 48 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.892 111.7 54.9 -62.9 -39.2 -8.8 36.2 18.5 172 182 A A H X S+ 0 0 9 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.920 107.6 48.8 -55.9 -51.1 -5.1 36.3 17.6 173 183 A R H X S+ 0 0 77 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.917 114.1 45.9 -58.0 -49.0 -4.1 36.6 21.3 174 184 A Q H < S+ 0 0 18 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.869 117.4 43.8 -63.0 -38.7 -6.4 33.7 22.2 175 185 A M H < S+ 0 0 12 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.819 124.7 32.1 -75.2 -34.7 -5.1 31.5 19.3 176 186 A T H < S+ 0 0 37 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.821 131.3 26.1 -97.1 -34.1 -1.4 32.3 19.7 177 187 A R S < S- 0 0 73 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.1 -0.515 75.4-172.5-132.5 67.8 -1.0 32.8 23.4 178 188 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 8,-0.1 -0.246 8.9-153.0 -59.8 144.8 -3.7 30.9 25.4 179 189 A E + 0 0 126 6,-0.2 10,-0.4 7,-0.2 2,-0.2 -0.796 27.1 137.1-111.7 160.6 -4.0 31.5 29.1 180 190 A G - 0 0 35 -2,-0.3 6,-0.0 6,-0.1 0, 0.0 -0.548 47.0-147.2 162.0 136.2 -5.3 29.2 31.8 181 191 A N S S+ 0 0 162 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.648 101.6 42.2 -88.5 -17.6 -4.7 27.8 35.3 182 192 A T S >> S- 0 0 60 -3,-0.1 4,-2.6 1,-0.0 3,-0.8 -0.945 88.5-124.4-115.8 149.9 -6.2 24.5 34.2 183 193 A P H 3> S+ 0 0 119 0, 0.0 4,-1.2 0, 0.0 -1,-0.0 0.617 118.1 60.2 -62.9 -8.8 -5.4 22.9 30.8 184 194 A E H 3> S+ 0 0 141 2,-0.2 4,-1.1 3,-0.1 5,-0.1 0.810 103.8 44.7 -83.1 -42.0 -9.2 23.1 30.6 185 195 A E H <> S+ 0 0 102 -3,-0.8 4,-2.1 2,-0.2 -6,-0.2 0.854 114.0 51.0 -70.2 -40.4 -9.2 26.9 30.9 186 196 A M H X S+ 0 0 83 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 108.0 52.3 -60.7 -43.4 -6.4 27.0 28.4 187 197 A A H X S+ 0 0 29 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.796 109.1 51.5 -60.2 -32.3 -8.5 24.8 26.1 188 198 A T H X S+ 0 0 85 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.887 108.1 50.5 -71.8 -42.4 -11.4 27.4 26.6 189 199 A D H X S+ 0 0 24 -4,-2.1 4,-1.8 -10,-0.4 -2,-0.2 0.935 111.0 48.2 -62.4 -48.6 -9.2 30.3 25.7 190 200 A L H X S+ 0 0 21 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.877 111.0 51.1 -58.9 -42.5 -7.9 28.6 22.5 191 201 A E H X>S+ 0 0 110 -4,-1.6 4,-2.8 2,-0.2 5,-0.6 0.903 105.1 56.5 -64.7 -42.7 -11.5 27.7 21.5 192 202 A A H X5S+ 0 0 43 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.942 115.3 38.2 -49.9 -52.4 -12.7 31.3 21.9 193 203 A G H X5S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.928 118.9 45.7 -68.4 -49.1 -10.0 32.4 19.5 194 204 A N H X5S+ 0 0 54 -4,-2.9 4,-2.5 2,-0.2 -3,-0.2 0.950 120.1 38.7 -63.0 -51.7 -10.2 29.5 17.0 195 205 A N H X5S+ 0 0 98 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.888 115.3 54.7 -69.2 -33.7 -14.0 29.4 16.7 196 206 A G H X S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.797 114.6 53.8 -69.6 -25.7 -19.0 34.7 5.3 204 214 A I H > S+ 0 0 31 -3,-0.5 4,-0.9 -4,-0.4 -2,-0.2 0.886 106.4 51.4 -72.3 -40.9 -15.9 36.2 3.6 205 215 A I H >X S+ 0 0 4 -4,-3.0 4,-1.0 1,-0.2 3,-1.0 0.966 113.3 45.7 -55.4 -51.7 -14.8 32.7 2.3 206 216 A R H >< S+ 0 0 150 -4,-1.9 3,-0.5 1,-0.3 -2,-0.2 0.884 112.4 49.4 -62.8 -41.6 -18.3 32.2 0.9 207 217 A A H 3< S+ 0 0 85 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.668 111.9 51.9 -69.6 -14.0 -18.5 35.7 -0.7 208 218 A R H X< S+ 0 0 47 -3,-1.0 3,-2.1 -4,-0.9 -1,-0.2 0.571 74.8 113.8-108.6 -10.8 -15.0 35.1 -2.3 209 219 A V T << S+ 0 0 54 -4,-1.0 3,-0.1 -3,-0.5 9,-0.1 -0.390 92.3 12.5 -56.5 135.1 -15.5 31.8 -4.0 210 220 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 8,-0.2 -2,-0.1 0.503 103.3 145.0 71.8 5.5 -15.2 32.4 -7.8 211 221 A G < - 0 0 33 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.1 -0.246 54.2-138.8 -78.5 163.3 -13.9 35.8 -7.0 212 222 A D + 0 0 175 -3,-0.1 -1,-0.1 2,-0.0 -3,-0.1 0.380 62.4 116.8-100.3 0.6 -11.2 37.8 -8.9 213 223 A G - 0 0 37 -5,-0.2 -2,-0.0 1,-0.1 -54,-0.0 -0.256 56.0-148.8 -71.2 157.6 -9.3 39.2 -5.9 214 224 A D + 0 0 95 4,-0.1 -1,-0.1 5,-0.0 -55,-0.1 0.139 57.5 122.1-112.8 18.4 -5.7 38.3 -5.3 215 225 A D S > S- 0 0 13 -57,-0.1 4,-2.1 1,-0.1 -57,-0.3 -0.274 79.8 -99.0 -64.1 164.5 -5.9 38.6 -1.5 216 226 A L H > S+ 0 0 8 -59,-2.5 4,-2.1 1,-0.2 -58,-0.2 0.803 117.8 52.8 -56.0 -39.2 -5.0 35.6 0.8 217 227 A I H > S+ 0 0 0 2,-0.2 4,-2.7 -59,-0.2 5,-0.3 0.960 110.4 43.7 -69.6 -52.1 -8.7 34.4 1.3 218 228 A T H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.937 113.6 53.7 -60.4 -39.9 -9.8 34.3 -2.3 219 229 A L H < S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.930 113.7 41.2 -59.2 -47.9 -6.5 32.6 -3.2 220 230 A M H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 10,-0.2 0.918 113.9 50.6 -63.9 -47.9 -6.9 29.8 -0.6 221 231 A V H 3< S+ 0 0 2 -4,-2.7 9,-0.2 1,-0.3 -2,-0.2 0.834 111.2 48.0 -68.5 -28.5 -10.7 29.2 -1.1 222 232 A N T 3< S+ 0 0 53 -4,-1.9 -1,-0.3 -5,-0.3 2,-0.2 0.198 87.3 117.6 -96.8 15.3 -10.4 28.8 -4.9 223 233 A S < - 0 0 0 -3,-1.6 7,-3.1 -5,-0.1 2,-0.4 -0.559 61.5-131.4 -74.8 148.7 -7.4 26.4 -4.6 224 234 A E E -I 229 0D 114 5,-0.3 2,-0.5 -2,-0.2 5,-0.2 -0.868 15.9-165.6-103.2 135.6 -7.8 22.8 -5.9 225 235 A I E > S-I 228 0D 20 3,-2.8 3,-1.9 -2,-0.4 -123,-0.0 -0.986 77.4 -14.6-118.7 125.4 -6.9 19.8 -3.8 226 236 A N T 3 S- 0 0 147 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.832 131.1 -48.7 48.3 42.1 -6.6 16.5 -5.7 227 237 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.257 123.7 82.3 87.1 -13.4 -8.5 17.8 -8.8 228 238 A E E < S-I 225 0D 153 -3,-1.9 -3,-2.8 1,-0.1 -1,-0.2 -0.901 91.9 -82.5-122.8 155.8 -11.5 19.4 -7.0 229 239 A R E -I 224 0D 136 -2,-0.3 -5,-0.3 -5,-0.2 -7,-0.1 -0.211 61.8 -92.0 -52.7 139.1 -12.0 22.8 -5.2 230 240 A I - 0 0 3 -7,-3.1 -1,-0.1 -10,-0.2 -6,-0.0 -0.251 46.4-100.1 -51.9 136.0 -10.7 22.7 -1.6 231 241 A A > - 0 0 59 1,-0.1 4,-2.3 -3,-0.1 3,-0.4 -0.315 30.0-116.8 -56.3 140.7 -13.2 21.7 1.1 232 242 A H H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.877 115.3 47.1 -42.8 -49.9 -14.7 24.7 3.0 233 243 A D H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.842 109.3 53.4 -71.1 -30.1 -13.2 23.5 6.3 234 244 A K H > S+ 0 0 68 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.904 109.2 48.9 -66.6 -42.4 -9.7 23.0 4.7 235 245 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.879 109.9 53.1 -65.3 -37.9 -9.7 26.5 3.3 236 246 A Q H X S+ 0 0 8 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.927 109.0 48.3 -57.5 -49.7 -10.7 27.7 6.8 237 247 A G H X S+ 0 0 20 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.871 112.1 50.1 -59.3 -40.2 -7.7 25.8 8.3 238 248 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.955 111.0 47.5 -63.2 -49.7 -5.4 27.3 5.7 239 249 A I H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.868 112.2 50.5 -62.9 -35.4 -6.6 30.9 6.3 240 250 A S H X S+ 0 0 19 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.884 110.0 49.4 -67.7 -39.6 -6.3 30.4 10.0 241 251 A L H X S+ 0 0 24 -4,-2.0 4,-3.1 -151,-0.2 5,-0.2 0.887 107.1 56.4 -71.4 -35.6 -2.7 29.0 9.6 242 252 A L H X S+ 0 0 18 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.878 110.0 44.1 -60.2 -41.8 -1.9 32.1 7.5 243 253 A L H < S+ 0 0 1 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.976 119.3 44.2 -60.8 -53.0 -3.0 34.4 10.3 244 254 A L H >X S+ 0 0 28 -4,-2.6 3,-1.6 1,-0.2 4,-0.6 0.863 107.1 55.6 -59.9 -46.6 -1.1 32.3 12.9 245 255 A G H 3< S+ 0 0 43 -4,-3.1 4,-0.2 1,-0.3 -1,-0.2 0.814 111.7 44.5 -63.8 -29.9 2.1 31.7 11.0 246 256 A G T 3< S+ 0 0 26 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