==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUN-07 2QBN . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.VON KOENIG,T.M.MAKRIS,S.D.SLIGAR,I.SCHLICHTING . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.4 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 . 32 7.9 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 . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 2 0 0 2 0 2 1 1 1 0 1 0 1 0 0 1 1 0 0 0 0 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 . 1 4 2 2 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 . 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 10 A N 0 0 193 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 137.6 33.1 20.0 60.0 2 11 A L - 0 0 73 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.874 360.0-134.7-106.5 128.8 30.2 22.2 61.2 3 12 A A - 0 0 22 45,-3.0 49,-0.0 -2,-0.5 2,-0.0 -0.473 38.7 -90.0 -77.1 147.3 29.3 25.5 59.7 4 13 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.328 51.1-101.1 -59.7 135.3 28.5 28.4 62.0 5 14 A L - 0 0 64 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.355 36.6-118.3 -61.3 125.2 24.8 28.6 62.9 6 15 A P > - 0 0 33 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.314 24.5-113.7 -62.6 147.6 23.0 31.3 60.9 7 16 A P T 3 S+ 0 0 143 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.735 113.3 53.1 -54.3 -28.5 21.4 34.1 63.0 8 17 A H T 3 S+ 0 0 52 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.506 87.7 94.0 -89.3 -3.7 17.8 33.1 62.1 9 18 A V S < S- 0 0 7 -3,-1.8 2,-0.2 292,-0.1 5,-0.1 -0.802 70.6-138.8 -95.4 116.7 18.2 29.4 63.1 10 19 A P > - 0 0 46 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.466 15.5-125.5 -73.0 141.6 17.1 28.6 66.7 11 20 A E G > S+ 0 0 173 1,-0.3 3,-1.6 2,-0.2 35,-0.1 0.780 104.5 66.0 -56.8 -32.1 19.3 26.2 68.6 12 21 A H G 3 S+ 0 0 143 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.609 98.3 54.8 -70.2 -9.4 16.4 23.8 69.5 13 22 A L G < S+ 0 0 16 -3,-1.8 33,-3.2 32,-0.1 2,-0.4 0.388 81.0 115.8-101.7 3.2 16.1 22.9 65.8 14 23 A V B < +a 46 0A 39 -3,-1.6 2,-0.3 31,-0.2 33,-0.2 -0.609 27.8 159.7 -80.0 124.5 19.7 21.9 65.3 15 24 A F - 0 0 67 31,-2.8 2,-2.3 -2,-0.4 30,-0.1 -0.864 33.6-142.9-144.0 101.5 20.3 18.2 64.5 16 25 A D + 0 0 55 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.373 33.2 166.8 -72.2 70.0 23.8 17.7 62.9 17 26 A F - 0 0 8 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.695 25.6-151.2 -86.8 133.6 22.9 15.0 60.3 18 27 A D > - 0 0 47 -2,-0.4 3,-1.3 3,-0.1 -2,-0.0 -0.892 4.7-165.5-108.4 102.2 25.6 14.3 57.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.663 89.2 48.8 -61.6 -17.0 23.8 13.1 54.5 20 29 A Y T 3 S+ 0 0 46 1,-0.2 364,-0.4 365,-0.0 -1,-0.3 0.553 130.8 14.7 -99.8 -8.9 27.2 11.9 53.0 21 30 A N S < S- 0 0 107 -3,-1.3 -1,-0.2 362,-0.1 -2,-0.2 -0.354 81.6-165.2-161.4 66.8 28.3 10.0 56.1 22 31 A P > - 0 0 3 0, 0.0 3,-2.0 0, 0.0 11,-0.1 -0.317 27.5-118.7 -63.0 138.8 25.4 9.5 58.5 23 32 A S T 3 S+ 0 0 122 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.829 109.5 41.6 -43.7 -49.9 26.2 8.4 62.1 24 33 A N T > S+ 0 0 83 8,-0.2 3,-2.4 1,-0.2 4,-0.3 0.073 71.6 128.4 -93.8 27.3 24.4 5.1 62.1 25 34 A L G X + 0 0 22 -3,-2.0 3,-2.0 1,-0.3 357,-0.3 0.803 64.1 68.5 -50.3 -33.7 25.4 4.0 58.6 26 35 A S G 3 S+ 0 0 107 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.755 94.3 57.0 -59.2 -25.3 26.6 0.7 60.0 27 36 A A G < S- 0 0 49 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.509 132.0 -73.4 -84.3 -4.9 23.0 -0.3 60.7 28 37 A G <> - 0 0 9 -3,-2.0 4,-1.9 -4,-0.3 -1,-0.3 -0.153 42.1-101.0 120.4 143.7 22.0 0.2 57.1 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 121.5 49.6 -65.9 -41.7 21.6 3.5 55.2 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 113.3 48.9 -61.5 -40.2 17.8 3.6 55.4 31 40 A E H 4 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.846 108.0 54.9 -65.1 -35.0 18.1 3.0 59.1 32 41 A A H >< S+ 0 0 1 -4,-1.9 3,-0.8 1,-0.2 -8,-0.2 0.899 111.1 43.1 -66.4 -41.8 20.7 5.7 59.4 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.842 102.2 69.9 -71.9 -32.6 18.4 8.3 57.8 34 43 A A G >< S+ 0 0 21 -4,-2.0 3,-2.2 1,-0.3 -1,-0.2 0.634 77.2 79.7 -60.8 -15.6 15.5 7.0 59.9 35 44 A V G X S+ 0 0 25 -3,-0.8 3,-1.4 -4,-0.4 -1,-0.3 0.776 81.8 67.9 -63.0 -22.8 17.2 8.5 63.0 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.615 97.3 53.7 -70.3 -10.9 15.7 11.7 61.7 37 46 A Q G < S+ 0 0 13 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.145 79.0 127.1-110.8 18.1 12.3 10.3 62.5 38 47 A E S X S- 0 0 104 -3,-1.4 3,-2.3 1,-0.1 -3,-0.0 -0.393 76.0 -98.5 -73.7 155.1 12.9 9.4 66.2 39 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.793 119.2 47.3 -40.4 -49.4 10.5 10.6 68.8 40 49 A N T 3 S+ 0 0 127 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.405 89.7 101.7 -81.5 3.7 12.5 13.6 70.0 41 50 A V S < S- 0 0 9 -3,-2.3 -28,-0.1 -6,-0.1 4,-0.1 -0.786 71.0-125.8 -96.0 126.5 13.3 15.0 66.5 42 51 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.097 23.2-112.1 -60.1 162.9 11.3 17.9 65.1 43 52 A D S S+ 0 0 50 1,-0.2 14,-3.0 256,-0.1 15,-0.6 0.802 108.6 31.4 -66.8 -31.0 9.5 17.7 61.8 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.985 78.6 173.0-133.1 120.5 12.0 20.3 60.3 45 54 A V E - B 0 55A 0 10,-2.3 10,-2.2 -2,-0.4 2,-0.4 -0.784 26.0-130.6-124.8 167.9 15.6 20.5 61.5 46 55 A W E -aB 14 54A 10 -33,-3.2 -31,-2.8 -2,-0.3 2,-0.4 -0.979 16.8-162.8-120.8 128.4 18.8 22.3 60.7 47 56 A T E - B 0 53A 0 6,-2.6 6,-2.1 -2,-0.4 -31,-0.2 -0.907 15.1-153.3-109.4 139.6 22.1 20.5 60.3 48 57 A R > + 0 0 83 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.448 67.0 106.1 -87.7 -0.8 25.4 22.4 60.4 49 58 A C G > S+ 0 0 11 -32,-0.3 3,-2.1 1,-0.2 -2,-0.1 -0.374 76.6 17.2 -76.4 157.6 27.0 19.7 58.3 50 59 A N G 3 S- 0 0 42 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.832 141.4 -45.9 50.6 41.6 27.8 20.2 54.6 51 60 A G G < S- 0 0 64 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.231 105.3 -72.8 90.8 -15.1 27.6 24.0 54.7 52 61 A G < + 0 0 4 -3,-2.1 256,-0.3 1,-0.1 2,-0.3 0.439 64.9 160.0 96.8 126.4 24.4 24.1 56.7 53 62 A H E -B 47 0A 0 -6,-2.1 -6,-2.6 254,-0.1 256,-0.2 -0.982 36.9 -98.1-170.6 160.6 20.9 23.3 55.5 54 63 A W E -Bc 46 309A 0 254,-2.7 256,-3.1 -2,-0.3 2,-0.4 -0.437 27.9-158.5 -81.9 159.7 17.3 22.4 56.6 55 64 A I E -Bc 45 310A 0 -10,-2.2 -10,-2.3 254,-0.2 2,-0.5 -0.959 8.8-148.6-141.8 120.8 16.0 18.9 56.5 56 65 A A E -B 44 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.797 15.7-173.4 -86.4 130.5 12.3 18.0 56.3 57 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.5 -13,-0.1 0.522 54.5 66.6-106.5 -7.2 11.9 14.7 58.2 58 67 A R S > S- 0 0 6 -15,-0.6 4,-2.3 1,-0.1 3,-0.5 -0.910 77.3-124.8-120.6 145.9 8.3 13.7 57.6 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.8 256,-0.3 5,-0.3 0.824 108.0 61.0 -52.5 -37.2 6.4 12.7 54.5 60 69 A Q H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 111.1 37.4 -58.1 -48.6 3.8 15.4 55.0 61 70 A L H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.857 114.9 55.0 -71.5 -37.2 6.3 18.2 54.8 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.938 111.7 43.9 -62.0 -46.8 8.4 16.6 52.1 63 72 A R H X S+ 0 0 55 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.923 113.5 51.4 -64.5 -44.8 5.3 16.2 49.8 64 73 A E H X S+ 0 0 73 -4,-2.0 4,-1.6 -5,-0.3 3,-0.3 0.922 110.6 47.4 -59.6 -45.5 4.2 19.8 50.6 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.882 109.6 53.5 -65.5 -38.4 7.5 21.3 49.7 66 75 A Y H < S+ 0 0 5 -4,-1.9 279,-0.5 -5,-0.2 -1,-0.2 0.793 109.7 48.8 -67.7 -25.9 7.8 19.4 46.5 67 76 A E H < S+ 0 0 114 -4,-1.5 2,-1.3 -3,-0.3 -1,-0.2 0.811 100.3 68.8 -82.1 -30.0 4.4 20.6 45.4 68 77 A D >X + 0 0 39 -4,-1.6 4,-2.3 1,-0.2 3,-0.7 -0.608 52.9 160.8 -93.3 79.3 5.2 24.3 46.2 69 78 A Y T 34 + 0 0 59 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.634 66.5 71.7 -73.3 -13.4 7.8 25.2 43.6 70 79 A R T 34 S+ 0 0 172 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.875 115.4 22.0 -69.6 -35.7 7.1 28.9 44.0 71 80 A H T <4 S+ 0 0 53 -3,-0.7 222,-1.9 1,-0.2 2,-0.7 0.757 126.6 52.0 -98.6 -32.8 8.8 28.8 47.5 72 81 A F E < S-D 292 0A 1 -4,-2.3 -1,-0.2 -7,-0.2 220,-0.2 -0.831 79.0-166.8-111.2 94.4 11.0 25.7 47.0 73 82 A S E > -D 291 0A 2 218,-2.6 218,-2.1 -2,-0.7 3,-0.5 -0.504 26.2-147.8 -86.3 147.4 13.0 26.1 43.8 74 83 A S T 3 S+ 0 0 1 1,-0.2 -1,-0.1 216,-0.2 215,-0.1 0.369 76.2 101.3 -89.6 2.9 14.9 23.4 41.9 75 84 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.835 97.6 24.0 -56.2 -34.3 17.5 26.0 40.7 76 85 A C S < S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.766 78.2 157.5-133.7 81.9 19.9 24.7 43.4 77 86 A P + 0 0 2 0, 0.0 212,-2.7 0, 0.0 2,-0.3 0.504 47.8 73.2 -87.5 -8.7 18.7 21.1 44.1 78 87 A F S S- 0 0 12 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.834 75.3-111.7-113.7 152.1 21.9 19.6 45.6 79 88 A I S S+ 0 0 4 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.921 91.3 56.8-111.5 138.4 23.7 20.0 48.9 80 89 A P S >> S- 0 0 27 0, 0.0 4,-2.1 0, 0.0 3,-1.0 0.569 89.0-125.8 -71.6 168.4 26.4 21.2 49.4 81 90 A R H 3> S+ 0 0 84 -31,-0.4 4,-2.7 1,-0.3 5,-0.2 0.840 108.1 57.5 -52.5 -42.1 25.7 24.7 47.9 82 91 A E H 3> S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.857 109.4 47.2 -59.8 -33.8 28.6 24.6 45.5 83 92 A A H <> S+ 0 0 5 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.930 112.4 48.3 -72.4 -46.3 27.1 21.4 44.0 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.6 -1,-0.2 0.850 111.5 50.7 -62.8 -34.4 23.6 22.8 43.8 85 94 A E H < S+ 0 0 131 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.916 113.0 44.1 -71.3 -41.0 24.9 26.0 42.1 86 95 A A H < S+ 0 0 16 -4,-1.8 2,-0.3 -5,-0.2 -2,-0.2 0.790 90.2 103.1 -72.5 -27.4 26.9 24.1 39.5 87 96 A Y < + 0 0 15 -4,-2.1 -9,-0.1 1,-0.1 98,-0.0 -0.392 34.9 150.5 -60.0 114.7 24.0 21.7 38.9 88 97 A D + 0 0 35 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.166 14.6 144.3-136.0 21.2 22.3 22.8 35.7 89 98 A F > - 0 0 2 3,-0.1 4,-2.1 145,-0.1 143,-0.2 -0.211 51.4 -90.5 -61.4 151.9 20.8 19.6 34.2 90 99 A I T 4 S+ 0 0 1 141,-1.6 145,-0.3 1,-0.2 -1,-0.1 -0.938 97.9 1.4-113.0 138.5 17.5 19.9 32.3 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.995 123.8 63.3 -92.3 0.4 14.8 19.6 33.3 92 101 A T T 34 S+ 0 0 26 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.693 100.9 53.0 -58.0 -23.6 15.7 19.0 37.0 93 102 A S T 3< S+ 0 0 13 -4,-2.1 2,-0.3 -5,-0.1 -1,-0.3 0.377 100.5 79.7 -94.6 6.8 17.4 22.4 37.5 94 103 A M < - 0 0 35 -3,-2.0 -6,-0.0 -5,-0.1 -5,-0.0 -0.834 65.5-145.2-115.6 152.3 14.3 24.3 36.3 95 104 A D > - 0 0 38 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.698 43.1 -60.5-107.3 161.8 10.9 25.2 37.9 96 105 A P T 4 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.456 112.5 37.9 -69.1 156.6 7.6 25.3 36.1 97 106 A P T >> S+ 0 0 82 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.941 127.9 36.1 -78.0 -29.8 6.5 27.0 33.8 98 107 A E H 3> S+ 0 0 117 1,-0.2 4,-0.6 -3,-0.2 3,-0.5 0.810 111.7 63.3 -52.9 -33.9 9.8 26.8 31.9 99 108 A Q H >X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 3,-1.0 0.885 89.2 67.5 -59.6 -43.2 10.5 23.2 33.1 100 109 A R H <> S+ 0 0 123 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.802 91.0 57.9 -51.5 -42.3 7.5 21.6 31.4 101 110 A Q H 3X S+ 0 0 35 -4,-0.6 4,-0.9 -3,-0.5 119,-0.4 0.862 111.4 43.2 -60.7 -35.1 8.5 22.0 27.8 102 111 A F H X S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 4,-1.1 0.920 104.8 55.1 -64.4 -43.8 12.7 13.9 28.0 107 116 A N H 3X S+ 0 0 70 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.806 99.6 65.7 -58.9 -27.6 9.6 11.7 28.5 108 117 A Q H 3< S+ 0 0 119 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.802 108.0 35.9 -65.8 -30.3 9.9 11.0 24.7 109 118 A V H << S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.546 132.1 25.4-103.1 -7.4 13.3 9.2 25.1 110 119 A V H < S+ 0 0 21 -4,-1.1 243,-0.3 -3,-0.2 -2,-0.2 0.402 95.6 112.0-132.2 -2.2 12.8 7.4 28.4 111 120 A G S >X S- 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 3,-1.2 0.051 85.9 -82.6 -68.5 179.0 9.0 7.0 28.7 112 121 A M H 3> S+ 0 0 73 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.881 125.0 60.6 -50.1 -47.7 6.8 3.9 28.5 113 122 A P H 3> S+ 0 0 86 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.848 106.1 49.1 -52.6 -33.2 6.8 3.8 24.7 114 123 A V H <> S+ 0 0 30 -3,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.867 106.2 56.0 -73.8 -36.8 10.6 3.4 24.8 115 124 A V H >X S+ 0 0 3 -4,-1.5 4,-1.5 -3,-0.3 3,-1.0 0.930 103.0 55.7 -60.0 -45.5 10.4 0.7 27.4 116 125 A D H 3< S+ 0 0 106 -4,-2.3 4,-0.4 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-5,-0.2 -1,-0.2 0.923 112.9 45.7 -63.4 -46.6 21.8 -14.1 29.7 129 138 A L H X S+ 0 0 19 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.926 116.3 44.9 -63.0 -47.1 23.6 -12.4 32.6 130 139 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.896 110.7 53.0 -66.5 -41.5 21.9 -14.7 35.2 131 140 A E H < S+ 0 0 67 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.896 107.2 53.3 -61.8 -38.7 22.4 -17.9 33.2 132 141 A S H < S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.857 115.5 40.0 -64.3 -35.1 26.1 -17.1 33.0 133 142 A L H >X>S+ 0 0 13 -4,-1.4 3,-2.1 1,-0.1 4,-0.8 0.845 95.4 82.4 -82.1 -36.4 26.4 -16.7 36.7 134 143 A R G ><5S+ 0 0 40 -4,-2.9 3,-0.8 1,-0.3 -2,-0.1 0.805 91.8 46.3 -37.0 -54.4 24.1 -19.6 37.8 135 144 A P G 345S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.662 99.7 70.1 -69.7 -15.7 26.8 -22.4 37.4 136 145 A Q G <45S- 0 0 110 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.796 89.6-142.7 -72.4 -28.9 29.5 -20.4 39.3 137 146 A G T <<5S+ 0 0 8 -3,-0.8 260,-2.4 -4,-0.8 2,-0.3 0.634 73.6 45.8 75.6 12.7 27.7 -20.7 42.7 138 147 A Q E < +F 396 0B 124 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.968 57.4 171.1-174.0 162.0 28.8 -17.2 43.6 139 148 A C E -F 395 0B 9 256,-1.9 256,-2.8 -2,-0.3 2,-0.9 -0.978 41.6-113.6-171.3 165.0 29.1 -13.6 42.4 140 149 A N E > -F 394 0B 79 -2,-0.3 4,-2.8 254,-0.2 3,-0.5 -0.899 38.2-161.7-107.1 91.3 29.8 -10.0 43.3 141 150 A F H >>S+ 0 0 0 252,-2.1 5,-2.6 -2,-0.9 4,-1.8 0.804 79.0 58.1 -48.8 -41.0 26.3 -8.8 42.6 142 151 A T H 4>S+ 0 0 14 1,-0.2 5,-1.7 3,-0.2 -1,-0.2 0.946 120.9 25.2 -60.2 -48.5 27.1 -5.1 42.3 143 152 A E H 45S+ 0 0 116 -3,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.743 123.9 51.7 -89.2 -21.0 29.6 -5.5 39.5 144 153 A D H <5S- 0 0 43 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.649 135.5 -13.4 -90.0 -16.1 28.3 -8.8 38.0 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -3,-0.2 0.444 122.2 65.0-147.4 -54.7 24.6 -7.8 37.6 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.838 109.0 55.9 -56.1 -38.3 25.8 -4.3 33.8 149 158 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 5,-0.2 0.991 118.1 28.6 -61.4 -63.5 22.1 -5.0 33.5 150 159 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.907 124.1 50.3 -64.8 -41.2 20.7 -1.5 33.8 151 160 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.905 108.2 49.1 -66.8 -43.0 23.8 0.2 32.4 152 161 A R H X S+ 0 0 95 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.887 111.7 51.1 -65.3 -35.6 24.2 -1.9 29.2 153 162 A I H X S+ 0 0 4 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.925 112.4 47.1 -64.6 -43.9 20.5 -1.3 28.5 154 163 A F H X S+ 0 0 16 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 110.5 50.1 -64.0 -44.9 21.0 2.4 29.0 155 164 A M H X>S+ 0 0 3 -4,-2.9 5,-2.4 1,-0.2 4,-0.6 0.825 108.8 55.7 -63.9 -29.0 24.1 2.5 26.8 156 165 A L H ><5S+ 0 0 79 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.961 111.1 41.3 -66.2 -51.6 22.1 0.7 24.2 157 166 A L H 3<5S+ 0 0 20 -4,-2.2 53,-3.2 1,-0.2 54,-0.2 0.828 117.1 49.2 -67.2 -30.2 19.4 3.2 24.1 158 167 A A H 3<5S- 0 0 0 -4,-2.4 53,-0.3 51,-0.2 -1,-0.2 0.521 107.0-127.4 -85.7 -5.9 21.9 6.1 24.3 159 168 A G T <<5 + 0 0 32 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.876 60.0 142.1 62.1 38.5 24.0 4.6 21.5 160 169 A L < - 0 0 11 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.895 56.0-103.7-114.0 142.3 27.2 4.8 23.5 161 170 A P > - 0 0 58 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.354 20.3-132.9 -65.3 137.9 30.0 2.2 23.6 162 171 A E G > S+ 0 0 107 1,-0.3 3,-1.4 2,-0.2 -6,-0.0 0.721 102.7 70.1 -62.5 -21.3 30.1 -0.1 26.6 163 172 A E G 3 S+ 0 0 165 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.675 90.5 62.9 -71.6 -13.1 33.9 0.5 26.9 164 173 A D G <> S+ 0 0 40 -3,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.518 78.4 92.1 -86.5 -6.1 33.0 4.0 28.1 165 174 A I H <> S+ 0 0 28 -3,-1.4 4,-3.4 1,-0.2 5,-0.4 0.923 77.8 54.7 -55.5 -53.5 31.1 2.7 31.1 166 175 A P H > S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.905 113.8 41.4 -48.9 -49.2 34.0 2.8 33.7 167 176 A H H > S+ 0 0 101 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.947 118.3 44.6 -65.1 -50.0 34.8 6.5 33.0 168 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.885 112.6 51.9 -63.5 -39.8 31.1 7.6 32.8 169 178 A K H X S+ 0 0 18 -4,-3.4 4,-2.2 -5,-0.2 -1,-0.2 0.894 108.7 51.5 -64.0 -41.0 30.2 5.6 35.9 170 179 A Y H X S+ 0 0 87 -4,-1.8 4,-1.2 -5,-0.4 -2,-0.2 0.941 111.6 46.9 -61.6 -47.1 33.0 7.2 37.9 171 180 A L H >X S+ 0 0 4 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.923 111.4 49.7 -61.3 -46.9 31.9 10.7 36.9 172 181 A T H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.7 0.900 108.2 54.7 -59.1 -41.8 28.3 10.1 37.7 173 182 A D H 3X S+ 0 0 33 -4,-2.2 4,-3.2 1,-0.3 3,-0.4 0.780 100.3 59.7 -64.1 -28.3 29.2 8.7 41.1 174 183 A Q H << S+ 0 0 8 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.727 103.1 53.1 -73.1 -19.6 31.2 11.8 42.0 175 184 A M H << S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.688 123.3 25.7 -86.5 -18.9 28.0 13.9 41.6 176 185 A T H < S+ 0 0 2 -4,-0.7 210,-2.1 -3,-0.4 211,-0.4 0.735 140.9 13.7-112.6 -35.9 26.0 11.7 44.0 177 186 A R S < S- 0 0 41 -4,-3.2 -2,-0.2 208,-0.2 208,-0.1 -0.498 81.4-161.7-141.6 64.6 28.6 10.1 46.4 178 187 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.173 15.0-157.1 -53.5 135.1 31.8 12.1 45.9 179 188 A D - 0 0 99 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.486 51.2-103.1 -90.6 -5.2 35.0 10.4 47.1 180 189 A G S S+ 0 0 67 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.245 100.7 99.8 104.7 -12.8 36.7 13.8 47.3 181 190 A S S S+ 0 0 70 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.767 88.2 34.2 -77.0 -25.1 38.9 13.7 44.2 182 191 A M S S- 0 0 43 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.993 72.2-137.0-135.3 138.9 36.4 15.8 42.2 183 192 A T > - 0 0 75 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.384 39.1-105.6 -79.3 167.6 34.1 18.7 43.0 184 193 A F H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.937 123.0 53.7 -60.1 -44.8 30.6 18.5 41.5 185 194 A A H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 108.0 49.0 -57.0 -42.7 31.6 21.2 39.0 186 195 A E H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 112.2 48.0 -65.9 -40.9 34.7 19.2 37.9 187 196 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.894 111.3 52.3 -66.0 -39.3 32.7 16.1 37.4 188 197 A K H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.930 108.8 48.0 -62.2 -48.5 30.1 18.1 35.4 189 198 A E H X S+ 0 0 106 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.850 110.8 52.0 -63.8 -32.3 32.6 19.6 33.1 190 199 A A H X S+ 0 0 25 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.893 110.4 48.7 -69.7 -37.9 34.1 16.2 32.5 191 200 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 114.4 45.1 -66.7 -42.4 30.7 14.8 31.6 192 201 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.831 105.6 60.4 -70.5 -32.5 30.0 17.7 29.3 193 202 A D H < S+ 0 0 126 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.885 110.2 44.1 -60.2 -37.3 33.5 17.4 27.7 194 203 A Y H X S+ 0 0 38 -4,-1.5 4,-0.6 -5,-0.1 -2,-0.2 0.913 119.1 41.4 -72.0 -45.2 32.4 13.9 26.8 195 204 A L H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.6 0.876 96.0 72.0 -74.1 -43.9 28.9 14.8 25.5 196 205 A I H 3X S+ 0 0 88 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.866 102.1 42.9 -43.2 -53.4 29.4 18.1 23.6 197 206 A P H 3> S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.843 113.3 52.7 -66.5 -31.8 31.2 16.5 20.5 198 207 A I H X S+ 0 0 84 -4,-2.0 4,-1.7 -5,-0.2 3,-0.6 0.912 112.0 53.8 -64.1 -40.7 27.2 18.0 17.5 201 210 A Q H 3X S+ 0 0 115 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.871 112.8 43.2 -60.6 -38.1 28.1 14.8 15.7 202 211 A R H 3< S+ 0 0 41 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.560 108.3 57.0 -87.7 -8.2 24.5 13.6 16.0 203 212 A R H << S+ 0 0 76 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.762 112.9 43.3 -87.0 -28.0 23.0 16.9 15.1 204 213 A Q H < S+ 0 0 127 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.905 133.1 19.6 -79.4 -45.4 25.0 16.7 11.9 205 214 A K S < S- 0 0 159 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.740 89.2-150.8-129.0 82.2 24.2 13.0 11.2 206 215 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.179 13.8-172.2 -56.3 137.9 21.1 12.0 13.3 207 216 A G - 0 0 38 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.412 37.3-106.8-114.3-167.0 20.7 8.5 14.6 208 217 A T S S+ 0 0 141 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.350 82.7 110.6-105.6 2.9 17.7 6.8 16.3 209 218 A D S > S- 0 0 27 -51,-0.1 4,-2.2 1,-0.1 -51,-0.2 -0.261 84.6-103.4 -74.4 164.2 19.5 6.7 19.7 210 219 A A H > S+ 0 0 6 -53,-3.2 4,-2.3 1,-0.2 5,-0.2 0.829 119.7 53.6 -58.3 -38.1 18.4 8.8 22.6 211 220 A I H > S+ 0 0 1 -53,-0.3 4,-3.2 -54,-0.2 -1,-0.2 0.925 109.7 48.5 -65.2 -42.9 21.2 11.4 22.2 212 221 A S H > S+ 0 0 1 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