==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-MAR-97 1ROM . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR S.-Y.PARK,A.NAKAGAWA . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 66.4 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 . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 3 0 3 0 2 2 0 2 2 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 5 A A 0 0 69 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 126.0 32.3 -11.4 21.3 2 6 A P - 0 0 67 0, 0.0 29,-2.8 0, 0.0 2,-0.2 -0.446 360.0-102.4 -74.2 149.4 35.4 -11.5 19.1 3 7 A S B -a 31 0A 82 27,-0.2 29,-0.2 -2,-0.1 30,-0.0 -0.494 47.7-115.8 -72.8 140.9 38.8 -11.3 20.7 4 8 A F S S+ 0 0 10 27,-2.5 29,-0.3 -2,-0.2 2,-0.1 -0.930 85.6 57.7-127.8 150.6 40.5 -7.9 20.4 5 9 A P S S- 0 0 42 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.449 82.4-141.7 -63.0 149.3 43.0 -6.6 19.2 6 10 A F - 0 0 13 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.454 16.6-108.3 -81.6 158.6 42.0 -7.7 15.7 7 11 A S - 0 0 64 -2,-0.1 9,-0.6 1,-0.1 10,-0.3 -0.703 35.2-105.0 -90.3 140.9 44.7 -8.8 13.3 8 12 A R E -F 15 0B 8 378,-2.6 3,-0.1 -2,-0.3 378,-0.1 -0.352 26.1-123.3 -60.8 142.0 45.5 -6.5 10.3 9 13 A A E S- 0 0 56 5,-1.7 2,-0.3 1,-0.1 -1,-0.1 0.853 85.8 -25.8 -56.2 -34.3 44.1 -7.9 7.1 10 14 A S E > S-F 13 0B 38 3,-0.7 3,-1.0 4,-0.1 -1,-0.1 -0.942 91.3 -57.7-165.1-179.9 47.6 -7.9 5.7 11 15 A G T 3 S+ 0 0 17 -2,-0.3 380,-0.3 1,-0.3 373,-0.2 0.836 131.2 15.9 -35.0 -69.3 51.0 -6.2 6.1 12 16 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 378,-0.1 0.383 110.6 97.3 -93.0 5.6 50.0 -2.6 5.4 13 17 A E E < -F 10 0B 95 -3,-1.0 -3,-0.7 1,-0.1 -4,-0.1 -0.717 69.6-122.8-103.9 146.0 46.3 -3.0 5.9 14 18 A P E - 0 0 20 0, 0.0 -5,-1.7 0, 0.0 -4,-0.1 -0.187 54.7 -65.3 -71.6 168.6 44.0 -2.4 8.9 15 19 A P E > -F 8 0B 9 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.329 39.7-134.3 -56.5 136.2 41.9 -5.1 10.5 16 20 A A T 3> S+ 0 0 63 -9,-0.6 4,-0.9 1,-0.2 3,-0.3 0.746 97.3 72.7 -64.4 -21.7 39.2 -6.3 8.1 17 21 A E H 3> S+ 0 0 49 -10,-0.3 4,-2.6 1,-0.2 5,-0.2 0.818 82.0 66.0 -63.6 -38.7 36.7 -6.1 11.0 18 22 A F H <> S+ 0 0 5 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.913 98.8 51.3 -53.7 -48.2 36.4 -2.4 11.3 19 23 A A H > S+ 0 0 45 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.913 114.1 43.4 -57.6 -46.3 34.7 -1.9 7.9 20 24 A K H X S+ 0 0 110 -4,-0.9 4,-2.7 2,-0.2 5,-0.4 0.895 115.2 48.2 -68.6 -39.7 32.0 -4.5 8.5 21 25 A L H X S+ 0 0 19 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.912 107.4 56.4 -65.4 -42.0 31.4 -3.3 12.1 22 26 A R H < S+ 0 0 16 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.846 116.5 37.4 -57.5 -34.3 31.2 0.3 10.9 23 27 A A H < S+ 0 0 84 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.855 133.0 21.2 -87.7 -37.5 28.4 -0.7 8.5 24 28 A T H < S+ 0 0 110 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.689 137.7 9.7-107.4 -22.9 26.6 -3.3 10.6 25 29 A N < + 0 0 57 -4,-2.9 -2,-0.1 -5,-0.4 -3,-0.1 -0.408 58.7 178.6-162.1 74.4 27.4 -2.7 14.3 26 30 A P S S+ 0 0 42 0, 0.0 16,-1.5 0, 0.0 2,-0.6 0.782 80.5 38.0 -48.1 -43.6 29.3 0.6 15.0 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.953 84.2 146.1-118.3 110.7 29.4 0.2 18.8 28 32 A S E - B 0 40A 8 12,-2.1 12,-3.8 -2,-0.6 2,-0.3 -0.861 44.5-100.4-138.9 172.9 29.9 -3.4 19.8 29 33 A Q E - B 0 39A 70 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.743 30.7-179.5-100.0 143.0 31.6 -5.6 22.4 30 34 A V E - B 0 38A 0 8,-2.4 8,-2.2 -2,-0.3 2,-0.5 -0.882 26.5-116.9-131.0 161.0 34.8 -7.5 22.0 31 35 A K E -aB 3 37A 91 -29,-2.8 -27,-2.5 -2,-0.3 6,-0.2 -0.899 22.4-146.5-109.1 133.7 36.6 -9.7 24.5 32 36 A L > - 0 0 9 4,-2.8 3,-2.1 -2,-0.5 36,-0.1 -0.382 37.2 -90.3 -85.2 170.6 40.0 -8.9 25.9 33 37 A F T 3 S+ 0 0 101 35,-0.3 35,-0.1 1,-0.3 36,-0.1 0.780 124.2 51.6 -53.5 -33.2 42.8 -11.4 26.8 34 38 A D T 3 S- 0 0 70 33,-0.3 -1,-0.3 35,-0.0 3,-0.1 0.284 124.0 -96.6 -91.9 13.3 41.6 -11.9 30.4 35 39 A G S < S+ 0 0 56 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.0 0.270 79.4 141.0 92.1 -12.2 37.9 -12.6 29.4 36 40 A S - 0 0 50 -5,-0.1 -4,-2.8 1,-0.1 2,-0.5 -0.233 46.5-135.3 -61.9 154.6 36.8 -9.0 30.0 37 41 A L E +B 31 0A 86 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.949 26.5 177.4-115.8 128.6 34.3 -7.5 27.7 38 42 A A E -Bc 30 306A 0 -8,-2.2 -8,-2.4 -2,-0.5 2,-0.4 -0.894 31.1-109.3-128.8 158.2 34.9 -3.9 26.4 39 43 A W E -Bc 29 307A 23 267,-2.9 269,-2.9 -2,-0.3 2,-0.5 -0.723 26.2-157.0 -88.8 137.8 33.0 -1.7 24.0 40 44 A L E -Bc 28 308A 0 -12,-3.8 -12,-2.1 -2,-0.4 2,-0.4 -0.978 4.4-163.7-118.5 117.9 34.6 -1.0 20.7 41 45 A V E +Bc 27 309A 0 267,-2.3 269,-2.3 -2,-0.5 -14,-0.2 -0.884 12.7 173.3-102.9 136.3 33.6 2.2 18.8 42 46 A T + 0 0 0 -16,-1.5 2,-0.3 -2,-0.4 -20,-0.1 0.579 44.9 93.0-117.8 -17.2 34.4 2.4 15.1 43 47 A K S > S- 0 0 16 -17,-0.3 4,-2.3 1,-0.1 271,-0.2 -0.634 72.2-130.4 -85.6 144.0 32.8 5.6 13.7 44 48 A H H > S+ 0 0 8 -2,-0.3 4,-2.5 270,-0.3 5,-0.2 0.908 110.3 56.6 -53.7 -44.3 34.7 8.9 13.6 45 49 A K H > S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 110.9 40.9 -53.2 -51.8 31.7 10.5 15.2 46 50 A D H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.783 110.4 57.5 -72.0 -31.2 31.8 8.1 18.2 47 51 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.937 107.3 48.4 -66.1 -45.0 35.6 8.2 18.5 48 52 A C H X S+ 0 0 21 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.900 111.7 51.3 -61.2 -39.5 35.5 12.0 18.9 49 53 A F H >X S+ 0 0 79 -4,-1.5 4,-2.2 -5,-0.2 3,-1.1 0.952 110.4 47.1 -61.6 -50.9 32.8 11.6 21.5 50 54 A V H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 110.2 54.6 -59.2 -37.6 34.7 9.0 23.5 51 55 A A H 3< S+ 0 0 7 -4,-2.5 295,-0.4 1,-0.2 294,-0.4 0.612 119.3 30.2 -73.7 -12.9 37.8 11.2 23.4 52 56 A T H << S+ 0 0 74 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.613 85.2 119.5-121.0 -17.5 36.1 14.3 24.8 53 57 A S >< - 0 0 16 -4,-2.2 3,-0.7 -5,-0.2 -4,-0.0 -0.224 50.7-151.9 -57.5 136.4 33.4 13.1 27.1 54 58 A E T 3 S+ 0 0 151 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.572 93.6 68.1 -82.2 -15.3 33.6 14.1 30.8 55 59 A K T 3 S+ 0 0 82 236,-0.1 236,-3.5 235,-0.0 237,-0.9 0.448 90.8 79.3 -83.5 -0.6 31.8 11.0 31.8 56 60 A L E < -D 290 0A 7 -3,-0.7 2,-0.4 234,-0.2 234,-0.2 -0.843 68.1-149.2-111.6 145.9 34.8 8.9 30.7 57 61 A S E -D 289 0A 1 232,-3.1 232,-1.4 -2,-0.3 29,-0.1 -0.927 20.0-167.0-121.1 144.5 38.0 8.3 32.6 58 62 A K + 0 0 21 -2,-0.4 2,-0.3 230,-0.2 -1,-0.1 0.484 53.4 121.5-101.1 -4.7 41.6 7.7 31.6 59 63 A V > - 0 0 39 1,-0.2 3,-0.8 230,-0.1 26,-0.1 -0.442 50.7-157.4 -64.5 118.5 42.7 6.5 35.1 60 64 A R T 3 S+ 0 0 53 24,-0.4 5,-0.2 -2,-0.3 -1,-0.2 0.612 84.9 69.5 -74.2 -15.3 44.1 3.0 34.7 61 65 A T T 3 S+ 0 0 116 2,-0.1 -1,-0.2 3,-0.1 2,-0.1 0.750 75.9 104.2 -75.7 -20.8 43.6 2.1 38.4 62 66 A R S X S- 0 0 66 -3,-0.8 3,-1.7 1,-0.1 2,-0.2 -0.371 83.6-112.4 -64.4 131.5 39.8 2.1 37.8 63 67 A Q T 3 S+ 0 0 177 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.493 104.8 38.1 -66.0 127.7 38.3 -1.4 37.6 64 68 A G T 3 S+ 0 0 33 1,-0.4 -1,-0.3 -2,-0.2 226,-0.1 0.323 74.0 144.1 111.9 -7.2 37.1 -1.8 34.1 65 69 A F < - 0 0 15 -3,-1.7 2,-1.5 -5,-0.2 -1,-0.4 -0.525 59.6-115.8 -66.3 126.8 39.9 -0.0 32.3 66 70 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.484 37.4-176.9 -69.6 86.1 40.5 -2.0 29.1 67 71 A E - 0 0 11 -2,-1.5 -33,-0.3 1,-0.1 -34,-0.2 -0.705 12.7-158.5 -83.4 131.8 44.0 -3.4 29.5 68 72 A L + 0 0 24 -2,-0.4 -35,-0.3 -36,-0.1 2,-0.3 0.603 66.8 23.8 -89.8 -13.1 45.0 -5.3 26.3 69 73 A S S > S- 0 0 50 1,-0.1 4,-1.6 -37,-0.1 5,-0.1 -0.972 75.4-112.9-148.7 161.8 47.7 -7.5 27.6 70 74 A A H > S+ 0 0 49 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 0.943 119.3 52.0 -59.1 -48.2 49.0 -9.1 30.8 71 75 A S H > S+ 0 0 85 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.865 107.2 53.4 -56.2 -40.6 52.1 -6.9 30.7 72 76 A G H > S+ 0 0 11 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.842 104.2 56.0 -64.2 -33.4 49.9 -3.9 30.3 73 77 A K H < S+ 0 0 85 -4,-1.6 3,-0.3 -3,-0.5 -1,-0.2 0.888 109.4 46.1 -66.9 -37.0 48.0 -4.9 33.4 74 78 A Q H >< S+ 0 0 122 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.825 106.2 58.4 -74.6 -31.8 51.3 -4.9 35.4 75 79 A A H >< S+ 0 0 54 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.712 91.4 72.5 -70.4 -19.9 52.4 -1.6 34.0 76 80 A A T 3< S+ 0 0 19 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.638 83.3 69.1 -70.3 -15.7 49.3 0.1 35.4 77 81 A K T < S+ 0 0 168 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.643 78.0 98.8 -79.1 -17.3 50.5 -0.1 39.0 78 82 A A S < S- 0 0 47 -3,-1.0 -3,-0.0 -4,-0.2 0, 0.0 -0.262 93.2 -82.1 -68.8 157.9 53.3 2.4 38.5 79 83 A K - 0 0 122 1,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.445 58.1-116.0 -62.8 128.8 52.9 6.1 39.6 80 84 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.317 22.8-160.1 -74.3 146.5 51.0 7.9 36.9 81 85 A T > - 0 0 13 146,-0.1 3,-1.9 -2,-0.1 9,-0.1 -0.558 52.7 -77.3-107.1 178.0 52.1 10.8 34.7 82 86 A F G > S+ 0 0 10 1,-0.3 3,-1.4 -2,-0.2 12,-0.1 0.680 123.2 74.2 -55.8 -19.6 49.6 13.1 32.8 83 87 A V G 3 S+ 0 0 53 1,-0.3 -1,-0.3 7,-0.0 7,-0.0 0.838 104.5 37.7 -64.1 -29.9 49.0 10.4 30.2 84 88 A D G < S+ 0 0 31 -3,-1.9 -24,-0.4 2,-0.1 2,-0.3 0.037 102.3 102.6-109.1 24.4 46.9 8.4 32.7 85 89 A M < - 0 0 26 -3,-1.4 -4,-0.0 -26,-0.1 -3,-0.0 -0.779 55.7-146.9-112.8 156.0 45.3 11.4 34.4 86 90 A D >> - 0 0 20 -2,-0.3 4,-2.2 1,-0.1 3,-0.7 -0.600 49.3 -40.3-107.2 167.3 41.9 13.0 34.3 87 91 A P T 34 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 258,-0.0 -0.400 117.5 19.9 -67.2 152.2 41.2 16.8 34.7 88 92 A P T 3> S+ 0 0 106 0, 0.0 4,-1.4 0, 0.0 5,-0.1 -0.983 127.3 47.2 -94.2 2.2 42.3 18.8 36.5 89 93 A E H <> S+ 0 0 115 -3,-0.7 4,-2.2 2,-0.2 5,-0.3 0.878 107.3 62.4 -65.5 -36.8 45.5 16.9 37.4 90 94 A H H X S+ 0 0 1 -4,-2.2 4,-3.1 1,-0.2 3,-0.4 0.967 108.4 35.8 -53.4 -65.8 46.0 16.2 33.7 91 95 A M H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.818 112.1 62.8 -62.3 -28.3 46.4 19.7 32.4 92 96 A H H < S+ 0 0 136 -4,-1.4 4,-0.2 1,-0.2 -1,-0.2 0.928 114.9 30.9 -63.5 -44.1 48.2 20.8 35.5 93 97 A Q H >< S+ 0 0 18 -4,-2.2 3,-1.2 -3,-0.4 4,-0.5 0.883 118.3 55.4 -81.0 -37.8 51.0 18.3 34.8 94 98 A R H >X S+ 0 0 19 -4,-3.1 4,-1.5 -5,-0.3 3,-1.3 0.875 99.4 60.9 -61.1 -39.2 50.8 18.5 31.0 95 99 A S T 3< S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.659 91.0 70.8 -64.0 -16.4 51.2 22.3 31.0 96 100 A M T <4 S+ 0 0 20 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.822 115.1 21.4 -70.0 -32.0 54.6 21.9 32.6 97 101 A V T X4 S+ 0 0 3 -3,-1.3 3,-1.0 -4,-0.5 4,-0.4 0.526 100.3 91.8-113.1 -8.6 56.2 20.5 29.4 98 102 A E G >< + 0 0 50 -4,-1.5 3,-1.7 1,-0.2 4,-0.4 0.791 68.8 74.8 -57.6 -36.8 53.7 21.7 26.8 99 103 A P G > S+ 0 0 78 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.771 92.0 54.4 -49.5 -35.7 55.6 25.0 25.9 100 104 A T G < S+ 0 0 14 -3,-1.0 -2,-0.2 1,-0.2 -3,-0.0 0.743 110.1 49.1 -73.5 -19.5 58.4 23.3 23.9 101 105 A F G < S+ 0 0 5 -3,-1.7 251,-0.3 -4,-0.4 252,-0.2 0.325 79.8 118.4-103.2 5.1 55.7 21.6 21.8 102 106 A T S <> S- 0 0 53 -3,-0.7 4,-2.5 -4,-0.4 5,-0.2 -0.351 80.0-105.1 -69.8 155.4 53.6 24.6 20.8 103 107 A P H > S+ 0 0 71 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.834 120.7 46.3 -49.0 -39.0 53.3 25.4 17.0 104 108 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.865 109.3 52.7 -75.0 -37.8 55.6 28.4 17.4 105 109 A A H > S+ 0 0 24 -3,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.923 112.2 47.9 -62.0 -39.8 58.2 26.6 19.5 106 110 A V H < S+ 0 0 9 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.807 106.2 56.6 -69.9 -32.1 58.2 24.0 16.8 107 111 A K H >< S+ 0 0 128 -4,-1.4 3,-0.8 -5,-0.2 -1,-0.2 0.852 106.8 50.3 -66.7 -34.5 58.6 26.6 14.0 108 112 A N H 3< S+ 0 0 113 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.680 106.2 57.1 -76.3 -16.9 61.7 27.9 15.8 109 113 A L T 3X S+ 0 0 34 -4,-0.7 4,-2.5 -3,-0.2 3,-0.3 0.509 79.9 93.8 -89.1 -8.1 63.0 24.3 15.9 110 114 A Q H <> S+ 0 0 67 -3,-0.8 4,-3.0 -4,-0.4 5,-0.2 0.901 80.7 52.7 -53.5 -48.7 62.8 23.9 12.1 111 115 A P H > S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.901 113.9 45.2 -56.7 -37.6 66.4 24.9 11.3 112 116 A Y H > S+ 0 0 44 -3,-0.3 4,-2.3 -4,-0.3 -2,-0.2 0.915 112.3 49.4 -69.4 -47.7 67.6 22.3 13.9 113 117 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.925 111.4 51.4 -58.6 -43.1 65.2 19.6 12.6 114 118 A Q H X S+ 0 0 53 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.937 110.0 47.5 -61.6 -48.4 66.4 20.3 9.0 115 119 A R H X S+ 0 0 144 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.882 110.2 52.7 -61.8 -36.9 70.1 20.0 9.9 116 120 A T H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.947 112.4 45.2 -62.8 -46.7 69.5 16.8 11.8 117 121 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.931 114.2 49.3 -62.3 -44.3 67.8 15.3 8.8 118 122 A D H X S+ 0 0 68 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.881 110.9 49.8 -62.9 -41.0 70.5 16.6 6.4 119 123 A D H X S+ 0 0 98 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.891 111.6 47.4 -65.9 -40.7 73.3 15.2 8.6 120 124 A L H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.807 110.6 51.7 -71.5 -31.1 71.7 11.7 8.8 121 125 A L H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 109.6 50.2 -69.6 -44.5 71.1 11.6 5.0 122 126 A E H X S+ 0 0 75 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.856 107.8 53.0 -61.6 -37.7 74.7 12.5 4.4 123 127 A Q H < S+ 0 0 97 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.917 109.4 49.4 -64.2 -40.9 75.9 9.8 6.7 124 128 A M H < S+ 0 0 1 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.813 108.8 52.4 -68.0 -29.7 73.8 7.3 4.8 125 129 A K H >< S+ 0 0 84 -4,-1.7 3,-1.2 1,-0.2 2,-1.0 0.764 96.8 71.3 -75.0 -26.1 75.3 8.5 1.6 126 130 A Q T 3< S+ 0 0 117 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.1 -0.277 102.9 39.2 -87.3 48.1 78.7 7.9 3.1 127 131 A K T 3 S- 0 0 105 -2,-1.0 3,-0.5 -3,-0.4 -1,-0.2 0.170 91.0-169.4-170.8 1.2 78.4 4.1 2.9 128 132 A G < - 0 0 26 -3,-1.2 -2,-0.1 1,-0.2 0, 0.0 0.251 41.2 -74.7 33.1-146.4 76.6 3.8 -0.5 129 133 A C > + 0 0 35 270,-0.1 3,-1.6 4,-0.1 2,-1.1 -0.205 52.4 176.7-137.6 39.2 75.1 0.6 -1.7 130 134 A A T 3 S- 0 0 98 -3,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.315 85.1 -43.4 -53.5 91.9 78.3 -1.4 -2.7 131 135 A N T 3 S+ 0 0 175 -2,-1.1 -1,-0.3 1,-0.1 -2,-0.0 0.888 135.7 85.3 43.6 44.3 76.5 -4.6 -3.6 132 136 A G S < S- 0 0 30 -3,-1.6 -2,-0.1 265,-0.0 -1,-0.1 -0.613 70.2-144.3-174.6 107.7 74.5 -4.1 -0.5 133 137 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 265,-0.2 -0.352 28.6-119.8 -69.5 155.8 71.3 -1.9 0.1 134 138 A V E -G 397 0C 15 263,-2.0 263,-2.7 261,-0.0 2,-0.8 -0.651 19.2-112.1 -98.5 155.5 71.1 -0.2 3.5 135 139 A D E > -G 396 0C 41 -2,-0.2 4,-2.2 261,-0.2 5,-0.3 -0.830 23.7-157.8 -85.6 112.6 68.4 -0.7 6.0 136 140 A L H >>S+ 0 0 0 259,-3.2 5,-2.8 -2,-0.8 4,-1.4 0.775 87.9 58.3 -62.3 -28.1 66.6 2.7 6.0 137 141 A V H 4>S+ 0 0 14 3,-0.2 5,-2.9 258,-0.2 -1,-0.2 0.977 112.0 35.5 -68.2 -54.1 65.2 2.0 9.5 138 142 A K H 45S+ 0 0 133 1,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.887 124.1 42.7 -68.2 -38.2 68.5 1.6 11.3 139 143 A E H <5S- 0 0 48 -4,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.706 138.4 -8.9 -83.0 -21.4 70.4 4.2 9.3 140 144 A F T X5S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.3 -3,-0.2 0.584 121.8 59.1-140.9 -57.4 67.8 6.9 9.1 141 145 A A T 4 S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.879 102.6 64.4 -58.8 -43.3 68.1 8.1 14.3 144 148 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 5,-0.1 0.943 111.6 30.3 -49.5 -63.4 66.0 11.0 13.1 145 149 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.853 120.4 54.9 -69.5 -28.7 63.3 11.0 15.8 146 150 A S H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.960 107.7 45.8 -66.9 -53.2 65.6 9.7 18.5 147 151 A Y H X S+ 0 0 29 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.854 114.3 51.7 -57.8 -37.0 68.4 12.3 18.3 148 152 A I H X S+ 0 0 1 -4,-1.4 4,-2.3 -5,-0.4 -2,-0.2 0.977 113.4 39.7 -66.8 -55.1 65.7 15.0 18.2 149 153 A I H X S+ 0 0 15 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.908 117.2 50.6 -63.0 -41.7 63.8 14.0 21.3 150 154 A Y H X>S+ 0 0 3 -4,-2.8 5,-2.2 -5,-0.2 4,-2.0 0.938 111.6 48.1 -61.1 -46.1 67.0 13.1 23.2 151 155 A T H <5S+ 0 0 48 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.867 110.5 50.8 -62.7 -39.9 68.5 16.5 22.3 152 156 A L H <5S+ 0 0 19 -4,-2.3 54,-2.9 1,-0.2 -1,-0.2 0.854 109.5 51.3 -66.6 -34.8 65.3 18.4 23.4 153 157 A L H <5S- 0 0 0 -4,-2.0 54,-1.6 52,-0.2 55,-0.3 0.856 126.8-100.6 -69.1 -36.7 65.4 16.5 26.7 154 158 A G T <5 + 0 0 8 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.479 64.8 153.2 130.3 4.9 69.0 17.5 27.2 155 159 A V < - 0 0 7 -5,-2.2 -1,-0.2 -6,-0.1 5,-0.1 -0.416 48.0-114.6 -66.5 132.5 71.2 14.5 26.3 156 160 A P > - 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.365 27.3-111.0 -65.6 153.7 74.7 15.6 25.2 157 161 A F G > S+ 0 0 160 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.845 111.5 57.5 -55.0 -45.6 75.6 14.8 21.5 158 162 A N G 3 S+ 0 0 128 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.620 105.3 53.1 -65.4 -12.6 78.2 12.1 22.1 159 163 A D G <> S+ 0 0 49 -3,-1.3 4,-2.3 1,-0.1 -1,-0.2 0.568 84.6 86.7 -98.4 -10.5 75.7 10.0 24.0 160 164 A L H <> S+ 0 0 2 -3,-1.2 4,-1.9 -4,-0.5 5,-0.2 0.873 84.6 53.5 -56.1 -46.5 72.9 10.0 21.4 161 165 A E H > S+ 0 0 149 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.928 113.7 40.8 -58.6 -49.6 74.2 7.0 19.4 162 166 A Y H > S+ 0 0 108 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.913 116.5 48.1 -67.2 -44.9 74.3 4.6 22.5 163 167 A L H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.760 106.2 59.4 -68.0 -24.8 71.1 5.8 24.0 164 168 A T H X S+ 0 0 6 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.903 106.4 46.8 -69.8 -40.6 69.3 5.5 20.7 165 169 A Q H X S+ 0 0 99 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.882 110.1 54.2 -69.2 -37.3 70.2 1.8 20.5 166 170 A Q H X S+ 0 0 18 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.897 108.6 46.7 -62.9 -44.7 69.0 1.2 24.1 167 171 A N H >X S+ 0 0 4 -4,-1.8 4,-1.0 1,-0.2 3,-0.6 0.888 109.9 55.0 -64.9 -38.4 65.6 2.7 23.6 168 172 A A H 3X S+ 0 0 29 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.848 101.2 60.1 -62.7 -34.6 65.2 0.7 20.4 169 173 A I H 3< S+ 0 0 41 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.811 96.3 60.7 -64.2 -32.5 66.0 -2.5 22.4 170 174 A R H << S+ 0 0 48 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.938 116.5 30.1 -61.1 -46.1 62.9 -1.9 24.6 171 175 A T H < S+ 0 0 80 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.371 92.2 121.3 -95.1 1.5 60.5 -2.1 21.7 172 176 A N >< - 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