==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-NOV-05 2C7X . COMPND 2 MOLECULE: CYTOCHROME P450 MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR D.H.SHERMAN,S.LI,L.V.YERMALITSKAYA,Y.KIM,J.A.SMITH, . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 2 1 1 0 2 1 3 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 S 0 0 79 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.2 -10.0 48.8 11.2 2 12 A P - 0 0 110 0, 0.0 31,-0.2 0, 0.0 2,-0.1 -0.374 360.0-105.7 -67.3 143.2 -9.8 45.3 9.6 3 13 A P - 0 0 32 0, 0.0 31,-0.3 0, 0.0 3,-0.1 -0.382 15.4-151.1 -68.2 147.0 -9.3 42.4 11.9 4 14 A V S S+ 0 0 95 29,-3.1 2,-0.3 1,-0.3 30,-0.2 0.621 85.6 21.5 -90.5 -15.0 -5.8 40.8 12.1 5 15 A L E -a 34 0A 53 28,-0.7 30,-1.9 4,-0.0 2,-0.8 -0.987 65.4-145.3-153.7 139.0 -7.4 37.5 13.0 6 16 A D E >> -a 35 0A 46 -2,-0.3 4,-0.7 28,-0.2 3,-0.6 -0.908 12.9-165.8-107.0 103.5 -10.9 36.0 12.6 7 17 A L T 34 S+ 0 0 5 28,-2.2 4,-0.4 -2,-0.8 3,-0.4 0.767 85.3 60.8 -60.6 -28.5 -11.4 33.8 15.7 8 18 A G T >4 S+ 0 0 31 27,-0.6 3,-1.5 1,-0.2 -1,-0.2 0.893 98.1 57.3 -66.8 -39.1 -14.3 32.0 14.1 9 19 A A T <4 S+ 0 0 83 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.744 95.1 66.1 -63.8 -23.8 -12.2 30.7 11.3 10 20 A L T >< S- 0 0 69 -4,-0.7 3,-0.5 -3,-0.4 4,-0.3 0.726 93.6-165.3 -71.3 -20.1 -9.9 29.1 13.8 11 21 A G T X> - 0 0 36 -3,-1.5 4,-1.5 -4,-0.4 3,-1.4 -0.146 45.6 -24.9 71.3-164.1 -12.8 26.8 14.8 12 22 A Q H 3> S+ 0 0 74 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.792 126.8 69.5 -56.2 -31.8 -13.2 24.5 17.8 13 23 A D H <> S+ 0 0 136 -3,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.859 103.8 42.7 -57.6 -34.9 -9.5 24.2 18.3 14 24 A F H <4 S+ 0 0 14 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.891 113.1 52.1 -76.5 -41.4 -9.4 27.9 19.3 15 25 A A H < S+ 0 0 6 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.924 114.0 44.2 -59.4 -44.0 -12.5 27.5 21.5 16 26 A A H < S+ 0 0 31 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.867 134.6 13.1 -69.1 -40.1 -10.9 24.5 23.2 17 27 A D < + 0 0 83 -4,-1.7 4,-0.3 -5,-0.3 -1,-0.3 -0.701 66.3 155.4-142.5 85.5 -7.5 26.1 23.7 18 28 A P >> + 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.681 54.6 90.1 -83.4 -19.2 -7.4 29.8 23.0 19 29 A Y H 3> S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.837 82.2 51.9 -49.0 -47.2 -4.3 30.5 25.2 20 30 A P H 3> S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 110.8 49.6 -60.4 -39.6 -1.6 30.0 22.6 21 31 A T H <> S+ 0 0 33 -3,-0.5 4,-2.0 -4,-0.3 -2,-0.2 0.939 111.4 47.9 -63.4 -47.6 -3.4 32.5 20.3 22 32 A Y H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.889 112.1 50.4 -60.7 -40.2 -3.7 35.1 23.0 23 33 A A H X S+ 0 0 38 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.888 106.8 52.9 -67.5 -39.1 -0.1 34.7 24.0 24 34 A R H X S+ 0 0 60 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.912 112.3 47.0 -62.2 -39.7 1.2 35.1 20.4 25 35 A L H >X S+ 0 0 9 -4,-2.0 3,-1.2 1,-0.2 4,-1.0 0.921 108.8 54.1 -66.1 -43.8 -0.8 38.3 20.2 26 36 A R H 3< S+ 0 0 57 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.851 100.6 61.5 -59.1 -35.5 0.6 39.5 23.6 27 37 A A H 3< S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.761 110.7 39.4 -64.3 -24.6 4.1 39.0 22.3 28 38 A E H << S- 0 0 139 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.548 129.6 -42.1-102.7 -8.4 3.5 41.5 19.6 29 39 A G < - 0 0 9 -4,-1.0 -1,-0.3 -3,-0.5 17,-0.1 -0.872 48.0 -97.9 160.9 166.4 1.5 44.1 21.5 30 40 A P S S+ 0 0 14 0, 0.0 16,-2.3 0, 0.0 2,-0.4 0.754 100.0 47.8 -81.3 -26.5 -1.3 44.9 24.1 31 41 A A E + B 0 45A 5 263,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.956 60.1 173.5-123.7 138.0 -4.1 45.7 21.7 32 42 A H E - B 0 44A 13 12,-2.0 12,-3.0 -2,-0.4 2,-0.5 -0.994 28.3-130.8-145.5 134.6 -5.4 43.8 18.6 33 43 A R E + B 0 43A 30 -2,-0.4 -29,-3.1 10,-0.2 -28,-0.7 -0.703 42.2 160.4 -82.7 125.2 -8.3 44.1 16.3 34 44 A V E -aB 5 42A 0 8,-3.0 8,-2.2 -2,-0.5 2,-0.5 -0.885 39.4-123.2-139.8 171.0 -10.2 40.8 15.8 35 45 A R E -aB 6 41A 83 -30,-1.9 -28,-2.2 -2,-0.3 -27,-0.6 -0.984 31.0-133.3-118.8 125.9 -13.5 39.3 14.7 36 46 A T > - 0 0 2 4,-3.1 3,-1.7 -2,-0.5 -28,-0.2 -0.286 29.2-102.5 -73.9 161.8 -15.3 37.1 17.2 37 47 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 345,-0.1 0.698 125.3 58.5 -56.8 -17.0 -16.7 33.6 16.3 38 48 A E T 3 S- 0 0 77 343,-0.1 344,-0.1 2,-0.1 -3,-0.0 0.756 123.0-104.9 -83.7 -27.4 -20.1 35.5 16.3 39 49 A G S < S+ 0 0 45 -3,-1.7 2,-0.3 1,-0.3 -33,-0.0 0.424 73.8 136.8 115.8 3.3 -18.9 38.0 13.7 40 50 A D - 0 0 76 1,-0.0 -4,-3.1 -5,-0.0 2,-0.6 -0.640 47.7-138.0 -86.1 139.0 -18.4 41.0 15.8 41 51 A E E +B 35 0A 76 -2,-0.3 263,-0.3 -6,-0.2 2,-0.3 -0.860 40.7 144.4 -99.6 120.2 -15.3 43.2 15.3 42 52 A V E -B 34 0A 1 -8,-2.2 -8,-3.0 -2,-0.6 2,-0.4 -0.870 47.3-100.4-144.5 175.0 -13.7 44.3 18.5 43 53 A W E -Bc 33 305A 22 261,-2.8 263,-3.5 -2,-0.3 2,-0.5 -0.849 27.2-148.6-103.6 139.1 -10.3 45.0 20.1 44 54 A L E -Bc 32 306A 4 -12,-3.0 -12,-2.0 -2,-0.4 2,-0.6 -0.907 4.0-158.5-106.7 132.8 -8.6 42.5 22.4 45 55 A V E -Bc 31 307A 0 261,-2.3 263,-2.7 -2,-0.5 2,-0.3 -0.968 20.0-178.7-111.1 122.7 -6.4 43.8 25.3 46 56 A V + 0 0 2 -16,-2.3 4,-0.2 -2,-0.6 263,-0.1 -0.784 33.7 64.3-119.4 163.8 -4.0 41.1 26.4 47 57 A G S > S- 0 0 10 261,-0.3 4,-2.7 -2,-0.3 265,-0.3 0.371 75.8-106.0 94.8 130.2 -1.3 40.9 29.1 48 58 A Y H > S+ 0 0 4 264,-0.3 4,-3.2 263,-0.3 5,-0.3 0.924 114.7 47.6 -53.7 -56.0 -1.9 41.1 32.9 49 59 A D H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 117.6 41.7 -54.9 -47.7 -0.6 44.6 33.5 50 60 A R H > S+ 0 0 95 2,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.882 114.8 52.1 -68.0 -39.6 -2.5 46.2 30.6 51 61 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.970 110.7 47.1 -60.2 -54.4 -5.6 44.1 31.4 52 62 A R H X S+ 0 0 75 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.914 114.2 47.9 -53.3 -48.2 -5.6 45.2 35.0 53 63 A A H X S+ 0 0 56 -4,-2.1 4,-1.9 -5,-0.3 3,-0.4 0.918 111.4 48.8 -61.2 -47.1 -5.1 48.9 34.1 54 64 A V H < S+ 0 0 3 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.882 104.0 60.7 -62.5 -40.3 -7.8 48.9 31.4 55 65 A L H < S+ 0 0 8 -4,-2.4 287,-0.3 1,-0.2 -1,-0.2 0.865 117.5 29.8 -55.7 -38.7 -10.4 47.3 33.7 56 66 A A H < S+ 0 0 43 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.648 90.7 116.6 -96.5 -17.4 -10.2 50.2 36.2 57 67 A D >< - 0 0 31 -4,-1.9 3,-2.0 -5,-0.2 -4,-0.0 -0.341 55.7-152.0 -58.3 114.8 -9.3 53.0 33.7 58 68 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 231,-0.1 0.623 90.8 75.4 -63.3 -13.4 -12.1 55.6 33.7 59 69 A R T 3 S+ 0 0 119 1,-0.1 230,-2.9 229,-0.1 2,-0.7 0.703 86.4 68.9 -71.5 -19.8 -11.1 56.4 30.1 60 70 A F E < S-E 288 0B 9 -3,-2.0 2,-0.1 228,-0.3 -1,-0.1 -0.904 79.1-161.1-104.0 110.7 -12.8 53.1 29.1 61 71 A S E -E 287 0B 1 226,-3.4 226,-3.3 -2,-0.7 25,-0.1 -0.439 25.1-159.6 -89.7 161.0 -16.6 53.5 29.6 62 72 A K + 0 0 4 224,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.295 64.5 107.1-117.5 3.0 -19.3 50.8 29.9 63 73 A D > - 0 0 10 224,-0.2 3,-2.2 1,-0.1 22,-0.2 -0.746 66.6-144.8 -85.9 118.6 -22.1 53.2 29.0 64 74 A W G > S+ 0 0 29 -2,-0.6 3,-2.4 20,-0.4 -1,-0.1 0.690 93.1 79.3 -58.0 -18.4 -23.3 52.4 25.4 65 75 A R G 3 S+ 0 0 190 1,-0.3 -1,-0.3 5,-0.0 -2,-0.0 0.583 95.0 51.1 -66.5 -4.7 -23.9 56.1 24.9 66 76 A N G < S+ 0 0 64 -3,-2.2 2,-0.5 3,-0.1 -1,-0.3 0.268 90.7 98.8-112.0 6.7 -20.1 56.1 24.3 67 77 A S < - 0 0 18 -3,-2.4 236,-0.2 2,-0.1 4,-0.1 -0.833 62.6-151.8 -99.6 131.9 -20.1 53.3 21.8 68 78 A T S S+ 0 0 89 234,-2.2 -1,-0.1 -2,-0.5 235,-0.1 0.676 85.0 82.5 -71.2 -15.2 -20.0 54.0 18.1 69 79 A T S S- 0 0 68 233,-0.6 -2,-0.1 -5,-0.1 -3,-0.1 -0.822 84.4-132.1 -94.1 118.8 -21.9 50.7 17.8 70 80 A P - 0 0 110 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.300 17.3-115.8 -69.0 151.1 -25.6 51.1 18.4 71 81 A L - 0 0 44 -4,-0.1 2,-0.1 1,-0.1 8,-0.0 -0.654 29.4-118.1 -86.4 143.1 -27.6 48.8 20.7 72 82 A T > - 0 0 54 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.380 32.3-101.4 -75.8 160.4 -30.3 46.5 19.2 73 83 A E H > S+ 0 0 183 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.905 122.7 46.4 -46.7 -52.1 -33.9 47.0 20.3 74 84 A A H >> S+ 0 0 13 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.912 114.0 46.5 -59.9 -47.1 -33.8 44.0 22.6 75 85 A E H >> S+ 0 0 55 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.846 104.6 61.8 -65.5 -34.3 -30.4 44.9 24.2 76 86 A A H 3< S+ 0 0 44 -4,-2.8 -1,-0.3 1,-0.2 4,-0.2 0.674 97.8 61.2 -66.1 -15.3 -31.6 48.5 24.6 77 87 A A H << S+ 0 0 34 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.753 114.2 30.0 -82.2 -26.9 -34.3 47.1 26.9 78 88 A L H << S+ 0 0 3 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.245 91.6 99.8-116.3 10.7 -31.9 45.6 29.5 79 89 A N < + 0 0 14 -4,-0.7 2,-2.3 1,-0.2 5,-0.2 0.703 56.5 87.8 -71.2 -23.7 -29.0 48.1 29.1 80 90 A H + 0 0 41 -4,-0.2 2,-0.3 141,-0.2 145,-0.3 -0.331 64.7 116.0 -79.3 62.3 -29.8 50.2 32.2 81 91 A N S > S- 0 0 2 -2,-2.3 3,-1.2 144,-0.1 145,-0.1 -0.849 78.7-105.5-125.0 162.4 -27.9 48.1 34.7 82 92 A M G > S+ 0 0 12 -2,-0.3 3,-1.1 1,-0.3 12,-0.1 0.816 116.2 57.4 -57.3 -34.6 -24.9 48.9 36.8 83 93 A L G 3 S+ 0 0 41 1,-0.3 -1,-0.3 7,-0.0 -3,-0.1 0.756 109.6 45.5 -70.9 -22.6 -22.4 46.9 34.7 84 94 A E G < S+ 0 0 42 -3,-1.2 -20,-0.4 -5,-0.2 2,-0.3 -0.229 106.2 77.0-112.8 43.8 -23.3 48.9 31.6 85 95 A S < - 0 0 0 -3,-1.1 -22,-0.1 -22,-0.2 -5,-0.0 -0.950 63.1-143.6-145.4 161.1 -23.2 52.3 33.4 86 96 A D >> - 0 0 39 -2,-0.3 4,-2.2 1,-0.1 3,-0.7 -0.755 50.6 -40.7-119.1 167.8 -20.5 54.7 34.6 87 97 A P T 34 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 254,-0.0 -0.389 119.4 29.4 -64.2 151.7 -20.6 56.9 37.7 88 98 A P T 3> S+ 0 0 108 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.996 129.0 40.7 -84.7 -12.4 -22.8 58.4 39.0 89 99 A R H <> S+ 0 0 30 -3,-0.7 4,-2.5 1,-0.2 5,-0.2 0.921 118.3 49.2 -59.9 -44.3 -25.5 56.0 37.7 90 100 A H H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.934 109.8 52.5 -59.1 -45.5 -23.3 53.0 38.4 91 101 A T H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.909 112.1 45.1 -56.6 -46.1 -22.7 54.3 41.9 92 102 A R H X S+ 0 0 76 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.892 115.1 46.8 -66.3 -42.0 -26.4 54.7 42.6 93 103 A L H < S+ 0 0 2 -4,-2.5 3,-0.4 -5,-0.2 4,-0.4 0.899 111.1 49.9 -70.9 -41.2 -27.4 51.4 41.2 94 104 A R H >X S+ 0 0 61 -4,-2.8 4,-1.7 1,-0.2 3,-1.6 0.909 103.5 60.4 -65.8 -39.2 -24.7 49.3 42.9 95 105 A K H 3< S+ 0 0 150 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.812 93.0 68.0 -57.3 -31.6 -25.5 50.9 46.3 96 106 A L T 3< S+ 0 0 30 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.749 118.9 16.1 -62.1 -24.8 -29.1 49.5 46.1 97 107 A V T X> S+ 0 0 1 -3,-1.6 3,-1.3 -4,-0.4 4,-0.6 0.461 92.8 102.0-129.2 -1.7 -27.9 45.9 46.4 98 108 A A G >< S+ 0 0 43 -4,-1.7 3,-1.5 1,-0.3 -3,-0.1 0.900 83.2 53.5 -50.0 -49.7 -24.3 46.0 47.7 99 109 A R G >4 S+ 0 0 64 -4,-0.5 3,-0.9 1,-0.3 -1,-0.3 0.743 97.9 68.4 -60.0 -24.1 -25.3 45.0 51.3 100 110 A E G <4 S+ 0 0 98 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.739 103.2 41.2 -69.2 -24.4 -27.2 42.0 49.9 101 111 A F G << S+ 0 0 15 -3,-1.5 -1,-0.2 -4,-0.6 248,-0.2 0.047 77.1 132.1-118.4 31.5 -24.0 40.1 48.9 102 112 A T <> - 0 0 40 -3,-0.9 4,-2.7 1,-0.1 5,-0.3 -0.362 69.5-108.0 -74.9 160.7 -21.5 40.7 51.7 103 113 A M H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.872 119.2 48.2 -57.2 -40.2 -19.6 37.7 53.0 104 114 A R H > S+ 0 0 153 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.868 112.8 46.8 -70.9 -36.4 -21.5 37.7 56.3 105 115 A R H >4 S+ 0 0 137 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.901 113.8 48.6 -70.7 -40.6 -24.9 38.0 54.6 106 116 A V H >< S+ 0 0 4 -4,-2.7 3,-2.5 1,-0.2 4,-0.3 0.851 98.6 67.9 -68.0 -33.3 -24.1 35.2 52.2 107 117 A E H >< S+ 0 0 83 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.830 90.7 64.2 -56.5 -29.8 -22.8 33.0 55.0 108 118 A L T << S+ 0 0 139 -3,-0.7 -1,-0.3 -4,-0.7 4,-0.3 0.622 95.2 59.7 -69.9 -11.5 -26.4 32.8 56.2 109 119 A L T <> S+ 0 0 45 -3,-2.5 4,-2.6 -4,-0.2 3,-0.3 0.511 77.4 96.0 -92.4 -5.6 -27.3 31.0 52.9 110 120 A R H <> S+ 0 0 88 -3,-1.6 4,-3.0 -4,-0.3 5,-0.3 0.903 78.4 54.1 -51.9 -49.7 -24.9 28.2 53.6 111 121 A P H > S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.907 114.2 41.0 -53.4 -45.6 -27.5 25.8 55.1 112 122 A R H > S+ 0 0 107 -3,-0.3 4,-2.3 -4,-0.3 -2,-0.2 0.894 114.6 50.3 -72.2 -40.1 -29.8 26.1 52.1 113 123 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.912 110.4 51.7 -64.2 -38.5 -27.0 26.0 49.5 114 124 A Q H X S+ 0 0 62 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.869 108.9 50.6 -64.9 -36.6 -25.6 22.8 51.2 115 125 A E H X S+ 0 0 110 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.921 111.1 48.4 -66.4 -43.5 -29.1 21.2 51.1 116 126 A I H X S+ 0 0 13 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.934 114.0 45.8 -63.2 -46.6 -29.3 22.0 47.4 117 127 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.949 113.1 48.8 -62.7 -48.4 -25.9 20.6 46.6 118 128 A D H X S+ 0 0 52 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.894 113.0 50.6 -58.5 -39.1 -26.4 17.5 48.7 119 129 A G H X S+ 0 0 40 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.966 112.7 43.3 -62.9 -53.4 -29.7 17.0 46.9 120 130 A L H X S+ 0 0 38 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.908 115.6 49.1 -60.4 -43.5 -28.3 17.4 43.4 121 131 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.925 111.4 48.0 -64.6 -44.2 -25.3 15.2 44.2 122 132 A D H < S+ 0 0 83 -4,-2.4 4,-0.2 -5,-0.3 -1,-0.2 0.896 111.9 50.6 -63.8 -38.3 -27.4 12.4 45.7 123 133 A A H >< S+ 0 0 69 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.2 0.939 110.7 49.4 -62.6 -45.2 -29.7 12.5 42.8 124 134 A M H >< S+ 0 0 8 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.881 104.2 60.0 -60.3 -38.4 -26.7 12.3 40.4 125 135 A L T 3< S+ 0 0 47 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.479 83.8 81.0 -70.2 -2.5 -25.4 9.3 42.5 126 136 A A T < + 0 0 72 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.575 61.2 125.1 -79.6 -8.5 -28.6 7.4 41.6 127 137 A A X - 0 0 25 -3,-1.5 3,-1.9 1,-0.2 5,-0.0 -0.342 58.1-147.5 -57.1 114.8 -27.0 6.5 38.3 128 138 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.701 97.8 44.2 -57.0 -22.6 -27.1 2.7 38.0 129 139 A D T 3 S- 0 0 107 2,-0.2 266,-0.1 265,-0.0 3,-0.1 0.308 110.7-116.5-107.1 8.1 -23.9 2.8 35.9 130 140 A G S < S+ 0 0 10 -3,-1.9 265,-1.9 1,-0.2 2,-0.3 0.833 78.0 115.8 60.6 34.7 -22.0 5.2 38.0 131 141 A R E +F 394 0C 129 263,-0.2 2,-0.3 -7,-0.1 -2,-0.2 -0.968 30.9 152.1-133.6 148.6 -21.8 7.8 35.1 132 142 A A E -F 393 0C 22 261,-1.8 261,-3.2 -2,-0.3 2,-0.7 -0.976 45.6-108.5-165.7 164.2 -23.3 11.2 34.7 133 143 A D E > -F 392 0C 38 -2,-0.3 4,-2.5 259,-0.2 5,-0.2 -0.920 24.8-154.0-103.3 114.4 -22.8 14.5 33.0 134 144 A L H >>S+ 0 0 0 257,-3.0 5,-2.5 -2,-0.7 4,-2.0 0.794 90.3 59.2 -60.3 -29.9 -21.7 17.0 35.7 135 145 A M H 4>S+ 0 0 2 3,-0.2 5,-2.8 4,-0.2 -1,-0.2 0.980 113.4 35.4 -63.7 -54.8 -23.1 20.0 33.7 136 146 A E H 45S+ 0 0 129 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.890 122.4 45.7 -66.6 -40.9 -26.7 18.7 33.6 137 147 A S H <5S- 0 0 28 -4,-2.5 -1,-0.2 3,-0.1 -13,-0.2 0.762 136.6 -15.8 -77.4 -28.4 -26.6 17.1 37.1 138 148 A L T X5S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -3,-0.2 0.580 119.2 64.7-143.0 -49.7 -25.0 19.8 39.2 139 149 A A T 4 S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.845 103.5 62.2 -59.7 -36.7 -29.0 23.4 38.3 142 152 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.964 105.6 39.9 -58.2 -59.5 -27.2 24.7 41.4 143 153 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.915 116.6 49.7 -58.4 -44.7 -26.6 28.4 40.5 144 154 A I H X S+ 0 0 3 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.868 111.6 50.0 -62.8 -36.9 -30.1 28.9 38.9 145 155 A T H X S+ 0 0 28 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.940 113.1 45.7 -67.0 -46.1 -31.8 27.3 41.9 146 156 A V H X S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.948 116.6 42.5 -62.9 -50.6 -29.9 29.5 44.4 147 157 A I H X S+ 0 0 17 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.853 111.6 55.4 -67.5 -34.6 -30.4 32.8 42.5 148 158 A S H X>S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.3 5,-2.6 0.883 108.5 47.7 -66.1 -38.2 -34.0 32.1 41.7 149 159 A E H <5S+ 0 0 71 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.911 113.9 48.5 -68.1 -40.6 -34.9 31.5 45.4 150 160 A L H <5S+ 0 0 43 -4,-1.9 53,-2.2 -5,-0.2 54,-0.3 0.918 121.7 33.6 -64.3 -45.9 -33.1 34.7 46.3 151 161 A L H <5S- 0 0 3 -4,-2.8 53,-1.2 51,-0.2 54,-0.4 0.808 112.9-112.8 -81.1 -32.3 -34.8 36.8 43.6 152 162 A G T <5 + 0 0 13 -4,-2.9 -3,-0.2 -5,-0.3 -4,-0.1 0.793 52.2 163.5 101.4 37.7 -38.1 35.0 43.7 153 163 A V < - 0 0 2 -5,-2.6 -1,-0.2 -6,-0.1 5,-0.1 -0.813 43.5-115.3 -91.0 115.5 -38.2 33.3 40.3 154 164 A P >> - 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.186 20.0-120.3 -51.3 135.3 -40.9 30.6 40.4 155 165 A E G >4 S+ 0 0 128 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.847 111.3 55.7 -44.5 -46.6 -39.6 27.1 40.0 156 166 A P G >4 S+ 0 0 89 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.807 102.4 57.0 -60.5 -30.1 -41.6 26.4 36.8 157 167 A D G <4 S+ 0 0 51 -3,-1.5 4,-0.4 1,-0.2 3,-0.4 0.554 89.2 77.2 -79.1 -8.4 -40.2 29.5 35.1 158 168 A R G XX S+ 0 0 43 -3,-1.4 3,-0.8 -4,-0.5 4,-0.6 0.773 78.2 68.0 -75.3 -27.2 -36.6 28.3 35.5 159 169 A A H X> S+ 0 0 71 -3,-0.6 4,-1.0 -4,-0.4 3,-0.9 0.851 94.5 60.1 -60.9 -33.6 -36.6 25.7 32.7 160 170 A A H 3> S+ 0 0 35 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.793 95.2 61.0 -65.4 -29.7 -36.9 28.6 30.2 161 171 A F H <> S+ 0 0 5 -3,-0.8 4,-2.2 -4,-0.4 -1,-0.3 0.745 96.4 63.0 -69.5 -21.6 -33.6 30.0 31.4 162 172 A R H - 0 0 29 -6,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.881 57.8-131.4 169.4 151.1 -27.5 32.5 15.3 174 184 A P H > S+ 0 0 101 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.835 117.3 46.5 -60.5 -40.9 -27.0 36.1 15.7 175 185 A A H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.826 103.2 60.2 -78.3 -36.5 -30.6 36.3 15.5 176 186 A Q H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 99.8 55.1 -60.0 -39.8 -31.3 33.7 17.8 177 187 A A H X S+ 0 0 15 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.933 109.4 49.6 -64.1 -40.6 -29.5 35.4 20.7 178 188 A Q H X S+ 0 0 54 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.893 108.2 53.0 -61.0 -43.5 -31.6 38.5 20.1 179 189 A T H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.919 109.2 49.0 -58.7 -45.8 -34.8 36.4 20.1 180 190 A A H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.905 111.2 50.8 -61.2 -42.7 -33.8 34.9 23.4 181 191 A M H X S+ 0 0 29 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.907 109.7 48.6 -61.5 -45.7 -33.2 38.3 24.9 182 192 A A H X S+ 0 0 55 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.906 114.3 47.9 -61.8 -41.4 -36.5 39.7 23.7 183 193 A E H X S+ 0 0 100 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.945 114.9 42.7 -63.6 -51.9 -38.2 36.6 25.2 184 194 A M H X S+ 0 0 1 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.893 113.8 52.4 -63.2 -42.0 -36.4 36.8 28.6 185 195 A S H X S+ 0 0 13 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.934 109.8 49.1 -59.7 -46.8 -36.8 40.6 28.8 186 196 A G H X S+ 0 0 30 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.922 111.8 49.7 -58.6 -44.2 -40.5 40.1 28.2 187 197 A Y H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.911 107.9 52.0 -61.3 -46.5 -40.6 37.5 30.9 188 198 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.907 107.8 53.1 -58.4 -41.8 -38.8 39.6 33.4 189 199 A S H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.894 111.4 45.8 -60.2 -41.3 -41.2 42.5 32.9 190 200 A R H X S+ 0 0 161 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.848 111.4 52.0 -70.8 -34.5 -44.2 40.2 33.5 191 201 A L H X S+ 0 0 6 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.898 109.5 50.0 -67.8 -41.0 -42.5 38.7 36.6 192 202 A I H >X S+ 0 0 8 -4,-2.6 4,-1.6 1,-0.2 3,-1.3 0.931 110.3 49.3 -62.8 -46.9 -41.9 42.2 38.0 193 203 A D H 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 105.7 58.1 -61.8 -34.8 -45.5 43.2 37.4 194 204 A S H 3< S+ 0 0 64 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.674 107.2 49.3 -69.3 -15.7 -46.6 39.9 39.2 195 205 A K H X< S+ 0 0 27 -3,-1.3 3,-2.4 -4,-0.6 5,-0.4 0.812 82.5 108.0 -90.5 -36.2 -44.7 41.1 42.3 196 206 A R T 3< S+ 0 0 90 -4,-1.6 9,-0.0 1,-0.3 -3,-0.0 -0.178 94.2 1.4 -50.3 124.2 -46.0 44.6 42.6 197 207 A G T 3 S+ 0 0 69 8,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.552 99.7 108.5 75.4 9.9 -48.4 44.9 45.5 198 208 A Q S < S- 0 0 133 -3,-2.4 -2,-0.1 7,-0.0 -1,-0.1 0.421 79.2-129.5 -98.1 2.1 -48.0 41.3 46.7 199 209 A D + 0 0 132 -4,-0.2 -3,-0.1 1,-0.1 7,-0.0 0.788 45.6 168.0 56.9 32.0 -46.0 42.1 49.8 200 210 A G - 0 0 19 -5,-0.4 -1,-0.1 1,-0.1 -3,-0.1 -0.339 33.7-148.8 -73.5 159.1 -43.3 39.6 49.0 201 211 A E + 0 0 164 4,-0.1 -1,-0.1 -2,-0.0 -49,-0.1 0.378 59.8 110.5-109.4 2.2 -40.0 39.5 50.9 202 212 A D S > S- 0 0 38 1,-0.1 4,-2.1 -51,-0.1 -51,-0.2 -0.244 83.7-102.1 -71.4 167.1 -37.7 38.3 48.1 203 213 A L H > S+ 0 0 21 -53,-2.2 4,-2.2 1,-0.2 -52,-0.2 0.854 120.6 51.6 -60.6 -38.2 -35.1 40.6 46.6 204 214 A L H > S+ 0 0 3 -53,-1.2 4,-2.6 -54,-0.3 -1,-0.2 0.919 109.4 50.6 -67.7 -39.5 -37.1 41.3 43.4 205 215 A S H > S+ 0 0 5 -54,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.907 111.5 48.8 -61.9 -40.8 -40.1 42.2 45.5 206 216 A A H X S+ 0 0 33 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.871 111.1 49.5 -67.0 -36.4 -38.0 44.6 47.6 207 217 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.891 107.7 54.1 -69.4 -38.8 -36.5 46.1 44.4 208 218 A V H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.925 110.6 47.0 -59.9 -43.7 -40.0 46.6 43.0 209 219 A R H X S+ 0 0 75 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.894 109.3 53.5 -65.2 -41.1 -40.9 48.5 46.2 210 220 A T H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 8,-0.2 0.903 110.8 47.3 -60.0 -41.2 -37.7 50.6 46.0 211 221 A S H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 113.6 47.3 -67.6 -39.5 -38.6 51.6 42.5 212 222 A D H < S+ 0 0 84 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.813 110.9 52.3 -73.0 -29.4 -42.2 52.4 43.5 213 223 A E H < S+ 0 0 154 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.875 131.0 8.2 -73.6 -37.8 -41.0 54.4 46.5 214 224 A D >X - 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