==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 15-JUL-09 3IBD . COMPND 2 MOLECULE: CYTOCHROME P450 2B6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.C.GAY,L.SUN,J.C.TALAKAD,M.B.SHAH,D.C.STOUT,J.R.HALPERT . 465 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 1 0 0 1 0 0 1 1 1 2 0 0 3 2 0 0 0 0 0 0 1 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 28 A G 0 0 83 0, 0.0 352,-0.2 0, 0.0 351,-0.1 0.000 360.0 360.0 360.0-148.3 13.2 39.6 45.4 2 29 A K + 0 0 139 1,-0.2 352,-2.3 350,-0.1 0, 0.0 -0.108 360.0 10.4-137.9-121.8 16.5 37.7 45.2 3 30 A L S S- 0 0 80 350,-0.2 -1,-0.2 1,-0.1 352,-0.1 -0.395 70.1-105.9 -71.8 141.5 18.2 34.3 45.4 4 31 A P - 0 0 7 0, 0.0 36,-0.2 0, 0.0 35,-0.2 -0.298 42.9-105.9 -61.3 148.9 16.2 31.0 45.4 5 32 A P + 0 0 45 0, 0.0 35,-2.3 0, 0.0 30,-0.1 -0.222 53.4 140.2 -70.7 166.3 16.1 29.3 48.8 6 33 A G - 0 0 26 33,-0.2 35,-0.1 28,-0.1 33,-0.0 -0.960 51.5 -45.7 174.8 178.7 18.1 26.1 49.5 7 34 A P - 0 0 5 0, 0.0 35,-0.2 0, 0.0 8,-0.0 -0.224 63.5-103.2 -64.4 146.3 20.1 24.1 52.0 8 35 A R - 0 0 78 33,-0.1 2,-0.2 7,-0.0 10,-0.0 -0.629 44.5-143.3 -72.5 121.0 22.9 26.1 54.0 9 36 A P - 0 0 59 0, 0.0 6,-0.2 0, 0.0 -1,-0.0 -0.518 6.5-125.8 -88.1 157.3 26.3 25.3 52.4 10 37 A L B > -A 14 0A 82 4,-2.6 4,-2.2 -2,-0.2 6,-0.1 -0.737 36.0-108.3 -90.4 146.7 29.8 24.8 53.9 11 38 A P T 4 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.837 109.6 11.1 -43.9 -53.0 32.6 27.0 52.3 12 39 A L T 4 S+ 0 0 74 2,-0.1 0, 0.0 1,-0.1 0, 0.0 0.762 132.0 48.7 -98.5 -27.8 34.4 24.2 50.4 13 40 A L T >4 S- 0 0 70 1,-0.3 3,-2.0 32,-0.1 31,-0.5 0.586 81.0-168.5 -89.9 -11.1 32.0 21.3 50.6 14 41 A G B 3< -AB 10 43A 2 -4,-2.2 -4,-2.6 1,-0.2 3,-0.3 -0.372 69.2 -26.0 51.3-126.3 28.9 23.2 49.5 15 42 A N T > S+ 0 0 0 27,-2.6 3,-1.4 -6,-0.2 4,-0.4 0.065 98.0 123.4-102.6 24.4 25.9 20.9 50.3 16 43 A L G X S+ 0 0 54 -3,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.892 73.1 52.6 -50.4 -46.3 27.7 17.6 50.1 17 44 A L G 3 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.661 106.9 52.4 -72.7 -14.8 26.7 16.6 53.6 18 45 A Q G < S+ 0 0 54 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.413 90.7 110.4 -92.1 0.1 23.0 17.2 52.9 19 46 A M S < S- 0 0 31 -3,-1.7 2,-0.5 -4,-0.4 5,-0.1 -0.346 78.1-111.0 -77.2 156.8 23.2 15.0 49.8 20 47 A D > - 0 0 26 3,-0.5 3,-2.0 4,-0.1 7,-0.3 -0.785 26.6-135.2 -82.0 127.3 21.5 11.6 49.4 21 48 A R T 3 S+ 0 0 248 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.663 98.8 66.0 -64.4 -15.5 24.4 9.1 49.3 22 49 A R T 3 S- 0 0 162 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.557 114.5 -64.3 -84.7 -7.1 22.8 7.3 46.3 23 50 A G <> - 0 0 13 -3,-2.0 4,-1.9 1,-0.1 -3,-0.5 -0.766 47.2 -73.0 149.4 172.8 23.2 10.2 43.9 24 51 A L H > S+ 0 0 16 -2,-0.2 4,-2.4 424,-0.2 5,-0.2 0.917 119.0 50.4 -62.2 -49.5 22.6 13.7 42.6 25 52 A L H > S+ 0 0 16 423,-0.3 4,-2.3 2,-0.2 5,-0.2 0.913 112.2 46.0 -60.6 -47.9 19.0 13.2 41.3 26 53 A K H > S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 112.3 54.0 -60.3 -42.0 17.8 11.6 44.6 27 54 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 -7,-0.3 -2,-0.2 0.922 110.2 45.6 -55.1 -46.3 19.5 14.4 46.4 28 55 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.876 107.7 55.9 -72.3 -35.8 17.7 17.1 44.4 29 56 A L H X S+ 0 0 70 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.842 107.4 51.1 -65.1 -30.4 14.3 15.5 44.7 30 57 A R H X S+ 0 0 134 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.909 109.1 49.0 -72.9 -43.7 14.7 15.6 48.5 31 58 A F H X S+ 0 0 5 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.855 107.4 58.1 -55.2 -38.1 15.6 19.3 48.4 32 59 A R H X S+ 0 0 70 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.899 100.5 55.2 -63.0 -37.1 12.5 19.8 46.2 33 60 A E H < S+ 0 0 93 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 119.2 33.8 -64.7 -33.6 10.2 18.3 48.9 34 61 A K H < S+ 0 0 147 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.844 131.3 28.3 -87.7 -39.8 11.6 20.9 51.4 35 62 A Y H < S- 0 0 56 -4,-3.2 3,-0.4 1,-0.3 -3,-0.2 0.557 98.7-132.3-108.2 -9.4 12.2 23.9 49.2 36 63 A G < - 0 0 31 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.425 53.1 -32.2 88.1-159.0 9.6 23.6 46.4 37 64 A D S S+ 0 0 57 1,-0.1 15,-2.2 -2,-0.1 2,-0.4 0.564 124.4 45.2 -81.1 -10.9 10.1 24.0 42.6 38 65 A V E S+ C 0 51A 9 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.979 73.5 141.3-137.4 117.3 12.9 26.6 42.4 39 66 A F E - C 0 50A 0 11,-1.5 11,-3.1 -2,-0.4 2,-0.4 -0.976 42.1-117.8-155.0 162.2 15.9 26.2 44.7 40 67 A T E - C 0 49A 8 -35,-2.3 2,-0.4 -2,-0.3 9,-0.2 -0.854 22.0-177.9-110.6 138.3 19.7 26.6 45.0 41 68 A V E - C 0 48A 0 7,-2.6 7,-3.0 -2,-0.4 2,-0.7 -0.995 23.2-134.8-133.4 136.7 22.2 23.8 45.7 42 69 A H E - C 0 47A 52 -2,-0.4 -27,-2.6 5,-0.2 2,-0.9 -0.869 13.9-164.6 -96.6 115.8 26.0 24.4 46.0 43 70 A L E > -BC 14 46A 2 3,-2.8 3,-2.0 -2,-0.7 -29,-0.2 -0.887 69.4 -50.6 -96.6 101.0 27.9 21.8 44.1 44 71 A G T 3 S- 0 0 1 -2,-0.9 149,-0.1 -31,-0.5 -29,-0.1 -0.420 125.8 -17.9 59.6-131.7 31.3 22.2 45.6 45 72 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -32,-0.1 0.565 122.9 94.3 -82.4 3.3 32.1 25.9 45.4 46 73 A R E < -C 43 0A 73 -3,-2.0 -3,-2.8 146,-0.3 2,-0.3 -0.790 64.5-145.0-107.8 120.9 29.4 26.5 42.8 47 74 A P E -C 42 0A 62 0, 0.0 313,-0.6 0, 0.0 2,-0.4 -0.610 22.8-175.9 -75.7 133.6 25.7 27.6 43.3 48 75 A V E -Cd 41 360A 0 -7,-3.0 -7,-2.6 -2,-0.3 2,-0.4 -1.000 18.4-136.8-130.2 138.2 23.3 25.9 40.8 49 76 A V E -Cd 40 361A 1 311,-2.3 313,-2.6 -2,-0.4 2,-0.5 -0.787 15.0-154.1 -91.1 130.8 19.6 26.6 40.5 50 77 A M E -Cd 39 362A 0 -11,-3.1 -11,-1.5 -2,-0.4 2,-0.5 -0.911 5.2-165.3-103.1 128.9 17.2 23.7 40.1 51 78 A L E -Cd 38 363A 0 311,-2.3 313,-2.9 -2,-0.5 2,-0.3 -0.978 14.1-179.4-114.4 130.4 13.9 24.1 38.3 52 79 A C E + d 0 364A 0 -15,-2.2 4,-0.4 -2,-0.5 313,-0.1 -0.911 35.5 42.4-128.5 150.7 11.4 21.3 38.8 53 80 A G S > S- 0 0 5 311,-0.6 4,-2.1 -2,-0.3 315,-0.3 0.167 84.6 -87.3 93.0 148.7 8.0 20.6 37.6 54 81 A V H > S+ 0 0 2 313,-0.4 4,-2.0 1,-0.2 5,-0.2 0.882 122.2 49.0 -55.3 -47.3 6.3 21.1 34.2 55 82 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.948 111.8 46.3 -66.0 -46.0 5.3 24.7 34.8 56 83 A A H > S+ 0 0 1 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.906 113.5 49.2 -66.6 -39.0 8.6 26.0 36.0 57 84 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.924 112.8 46.6 -67.4 -43.4 10.6 24.3 33.2 58 85 A R H X>S+ 0 0 48 -4,-2.0 4,-2.5 -5,-0.2 5,-1.3 0.901 108.8 56.3 -64.7 -43.8 8.4 25.6 30.5 59 86 A E H <>S+ 0 0 53 -4,-2.5 5,-0.8 -5,-0.2 -1,-0.2 0.870 114.8 38.0 -51.7 -45.4 8.4 29.1 31.9 60 87 A A H X5S+ 0 0 0 -4,-1.7 4,-1.0 3,-0.2 8,-0.4 0.972 122.4 39.4 -68.6 -58.9 12.2 29.2 31.8 61 88 A L H <5S+ 0 0 4 -4,-2.7 345,-0.5 -5,-0.2 -3,-0.2 0.787 132.1 20.1 -73.1 -31.3 12.8 27.4 28.5 62 89 A V T ><5S+ 0 0 62 -4,-2.5 3,-0.7 -5,-0.3 -3,-0.2 0.834 129.6 40.7-102.5 -42.7 10.0 28.8 26.4 63 90 A D T 344 S+ 0 0 85 2,-0.2 3,-1.5 1,-0.2 -1,-0.3 0.898 112.6 53.0 -77.6 -45.0 17.0 33.4 25.3 67 94 A A G >4 S+ 0 0 21 1,-0.2 278,-2.5 2,-0.1 3,-0.5 0.900 115.2 43.3 -54.3 -41.4 18.1 34.1 28.9 68 95 A F G 3< S+ 0 0 1 -4,-2.2 -1,-0.2 -8,-0.4 275,-0.2 0.330 88.3 97.1 -88.3 13.4 18.0 30.3 29.5 69 96 A S G < + 0 0 9 -3,-1.5 -1,-0.2 -5,-0.2 275,-0.1 0.447 55.4 108.2 -85.0 -1.9 19.7 29.4 26.2 70 97 A G E < -E 343 0A 1 273,-1.3 273,-1.4 -3,-0.5 2,-0.5 -0.442 65.8-130.4 -77.3 152.8 23.2 29.1 27.7 71 98 A R E -E 342 0A 22 271,-0.3 271,-0.3 -2,-0.1 -2,-0.1 -0.912 18.2-149.8-103.6 127.0 24.9 25.7 28.0 72 99 A G - 0 0 6 269,-2.3 2,-0.3 -2,-0.5 271,-0.1 -0.258 27.7 -95.2 -85.6 175.0 26.5 24.8 31.4 73 100 A K - 0 0 50 269,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.685 15.5-146.9 -96.5 149.4 29.5 22.5 31.7 74 101 A I >> - 0 0 30 -2,-0.3 4,-2.2 1,-0.1 3,-1.6 -0.978 21.2-147.7-107.3 107.8 29.5 18.8 32.4 75 102 A A T 34 S+ 0 0 18 -2,-0.6 -1,-0.1 1,-0.3 116,-0.1 0.775 88.4 58.0 -53.1 -38.4 32.7 18.5 34.4 76 103 A M T 34 S+ 0 0 6 1,-0.2 -1,-0.3 111,-0.2 4,-0.1 0.741 120.6 24.1 -66.6 -30.8 33.7 15.0 33.2 77 104 A V T X> S+ 0 0 0 -3,-1.6 4,-2.1 2,-0.1 3,-1.1 0.574 98.0 87.8-111.1 -15.3 33.8 15.9 29.4 78 105 A D H 3X S+ 0 0 52 -4,-2.2 4,-2.2 1,-0.3 -2,-0.1 0.872 82.5 61.1 -55.8 -38.4 34.4 19.7 29.4 79 106 A P H 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.880 112.2 39.9 -58.5 -33.6 38.2 19.2 29.5 80 107 A F H <4 S+ 0 0 24 -3,-1.1 -2,-0.2 -4,-0.1 -3,-0.1 0.951 125.2 31.7 -74.5 -59.8 38.0 17.4 26.2 81 108 A F H >< S- 0 0 0 -4,-2.1 3,-1.5 2,-0.1 -3,-0.2 0.860 75.5-168.5 -68.8 -43.4 35.4 19.4 24.3 82 109 A R T 3< S- 0 0 156 -4,-2.2 3,-0.1 -5,-0.3 -4,-0.1 0.856 76.6 -44.7 53.3 42.4 36.0 22.9 25.7 83 110 A G T 3 S+ 0 0 16 1,-0.3 7,-0.3 6,-0.1 -1,-0.3 0.550 105.9 128.2 82.6 11.1 32.9 24.3 24.2 84 111 A Y < + 0 0 62 -3,-1.5 4,-0.3 5,-0.1 -1,-0.3 -0.725 46.3 45.3 -95.0 151.8 33.2 22.8 20.7 85 112 A G S > S- 0 0 2 -2,-0.3 4,-1.3 2,-0.1 3,-0.4 0.066 96.6 -85.3 97.3 151.8 30.3 20.9 19.1 86 113 A V T 4 S+ 0 0 11 178,-0.2 3,-0.4 1,-0.2 -1,-0.1 0.890 126.1 55.6 -59.1 -38.4 26.6 21.9 19.0 87 114 A I T 4 S+ 0 0 32 1,-0.2 -1,-0.2 177,-0.1 -2,-0.1 0.862 118.4 28.9 -61.5 -41.3 26.1 20.3 22.4 88 115 A F T 4 S+ 0 0 18 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.468 96.6 106.9-104.0 -4.2 28.7 22.2 24.3 89 116 A A < - 0 0 0 -4,-1.3 2,-0.3 -3,-0.4 -5,-0.1 -0.369 46.4-163.3 -81.8 158.3 28.9 25.5 22.4 90 117 A N >> - 0 0 68 -7,-0.3 4,-1.6 -20,-0.1 3,-0.5 -0.850 46.1 -6.1-130.5 170.4 27.7 28.8 23.5 91 118 A G H 3> S- 0 0 45 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 -0.118 122.4 -10.1 51.5-134.5 26.8 32.3 21.9 92 119 A N H 3> S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.874 133.9 57.0 -67.5 -45.9 27.6 32.8 18.3 93 120 A R H <> S+ 0 0 70 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.913 113.2 44.3 -44.2 -47.5 29.6 29.7 17.7 94 121 A W H X S+ 0 0 13 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.963 112.4 48.9 -68.9 -53.1 26.5 27.8 19.0 95 122 A K H X S+ 0 0 89 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.889 115.8 44.6 -53.6 -42.3 23.9 29.7 16.9 96 123 A V H X S+ 0 0 32 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.910 114.9 46.9 -74.5 -42.3 25.9 29.4 13.7 97 124 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.926 114.5 47.3 -61.2 -47.9 26.7 25.7 14.2 98 125 A R H X S+ 0 0 41 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.899 111.1 50.1 -67.1 -40.4 23.2 24.8 15.1 99 126 A R H X S+ 0 0 173 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.887 110.4 50.8 -63.1 -38.6 21.6 26.7 12.2 100 127 A F H X S+ 0 0 37 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 108.6 51.7 -67.3 -43.7 24.0 25.0 9.7 101 128 A S H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.921 112.0 47.3 -48.2 -53.6 23.1 21.6 11.1 102 129 A V H X S+ 0 0 68 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.918 114.9 43.4 -59.4 -52.8 19.4 22.4 10.6 103 130 A T H X S+ 0 0 43 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.832 113.3 54.1 -65.0 -33.7 19.8 23.7 7.1 104 131 A T H X S+ 0 0 10 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.934 109.6 45.6 -65.9 -45.5 22.1 20.8 6.2 105 132 A M H < S+ 0 0 56 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.772 106.0 59.2 -74.3 -22.8 19.6 18.2 7.3 106 133 A R H < S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.5 43.0 -66.8 -35.9 16.7 19.9 5.5 107 134 A D H >X S+ 0 0 118 -4,-1.3 3,-1.4 -5,-0.1 4,-0.8 0.691 92.2 110.3 -79.7 -19.1 18.7 19.5 2.3 108 135 A F T 3< S+ 0 0 33 -4,-1.0 7,-0.3 1,-0.2 -3,-0.0 -0.425 80.5 19.1 -64.7 123.0 19.7 15.9 3.3 109 136 A G T 34 S+ 0 0 23 -2,-0.3 5,-0.3 5,-0.2 -1,-0.2 0.049 98.8 85.7 104.9 -20.5 18.1 13.3 1.1 110 137 A M T <4 S+ 0 0 103 -3,-1.4 -2,-0.1 1,-0.1 -3,-0.1 0.957 110.7 27.4 -67.2 -47.6 17.1 15.4 -1.9 111 138 A G S < S+ 0 0 84 -4,-0.8 2,-0.3 2,-0.1 -1,-0.1 0.841 139.7 19.1 -70.5 -40.7 20.6 14.6 -3.1 112 139 A K S S- 0 0 42 1,-0.1 -1,-0.1 0, 0.0 124,-0.0 -0.824 103.7 -66.1-133.5 163.8 20.9 11.3 -1.2 113 140 A R - 0 0 105 -2,-0.3 -3,-0.1 1,-0.1 -1,-0.1 -0.232 63.5-102.3 -56.4 141.4 18.6 8.8 0.4 114 141 A S > - 0 0 31 -5,-0.3 4,-1.7 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108.0 48.6 -60.2 -45.0 32.9 6.5 28.7 179 206 A F H X S+ 0 0 33 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.917 110.7 49.2 -67.7 -40.6 29.2 6.9 29.4 180 207 A S H < S+ 0 0 22 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.845 111.1 51.0 -66.9 -28.5 29.2 4.6 32.4 181 208 A L H >< S+ 0 0 31 -4,-2.0 3,-1.2 2,-0.2 6,-0.6 0.938 107.6 52.8 -67.1 -44.7 32.3 6.5 33.8 182 209 A I H 3< S+ 0 0 4 -4,-2.2 268,-0.2 1,-0.3 -2,-0.2 0.901 116.7 39.3 -58.1 -39.7 30.5 9.9 33.4 183 210 A S T 3< S+ 0 0 5 -4,-1.8 265,-0.4 266,-0.2 -1,-0.3 0.388 94.6 108.5 -94.8 2.4 27.5 8.5 35.4 184 211 A S S <> S- 0 0 19 -3,-1.2 4,-2.1 -4,-0.4 5,-0.2 -0.138 89.1 -98.0 -69.8 171.0 29.4 6.6 38.0 185 212 A V H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.898 128.1 51.0 -55.2 -43.5 29.7 7.7 41.6 186 213 A F H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 106.7 53.7 -61.2 -43.5 33.1 9.2 40.8 187 214 A G H > S+ 0 0 3 -6,-0.6 4,-1.3 1,-0.2 -2,-0.2 0.873 109.1 48.4 -59.3 -39.0 31.6 11.1 37.8 188 215 A Q H X S+ 0 0 23 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.862 111.1 50.3 -69.1 -35.2 29.0 12.6 40.1 189 216 A L H >X S+ 0 0 66 -4,-1.9 4,-2.7 1,-0.2 3,-0.8 0.893 106.6 54.8 -68.1 -39.3 31.7 13.6 42.6 190 217 A F H 3X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.847 98.6 64.1 -59.3 -34.9 33.7 15.2 39.8 191 218 A E H 3< S+ 0 0 20 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.874 114.1 31.7 -55.9 -37.8 30.7 17.3 39.0 192 219 A L H << S+ 0 0 7 -4,-0.8 -146,-0.3 -3,-0.8 -2,-0.2 0.875 134.0 25.4 -85.9 -42.2 31.0 18.9 42.5 193 220 A F H >X S+ 0 0 17 -4,-2.7 4,-3.0 1,-0.2 3,-1.2 0.013 70.1 126.0-120.6 26.4 34.8 18.8 43.1 194 221 A S H 3X + 0 0 38 -4,-1.6 4,-2.5 1,-0.3 5,-0.2 0.857 67.2 74.5 -52.7 -36.7 36.5 18.8 39.6 195 222 A G H 34 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.837 117.7 13.0 -48.6 -43.7 38.5 21.9 40.8 196 223 A F H X4 S+ 0 0 118 -3,-1.2 3,-1.4 2,-0.1 -1,-0.2 0.753 121.6 63.7-105.2 -26.5 40.7 19.8 43.0 197 224 A L H >< S+ 0 0 28 -4,-3.0 3,-1.9 1,-0.2 -3,-0.2 0.800 88.3 73.8 -62.2 -25.8 39.9 16.2 41.8 198 225 A K T 3< S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.1 0.727 86.9 63.9 -57.9 -21.9 41.3 17.1 38.4 199 226 A H T < S+ 0 0 128 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.602 98.5 67.2 -79.7 -9.2 44.8 16.9 40.0 200 227 A F S < S- 0 0 113 -3,-1.9 5,-0.1 -4,-0.2 -3,-0.0 -0.639 92.3 -94.6-111.6 158.8 44.5 13.2 40.8 201 228 A P + 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.303 68.5 112.7 -58.5 158.9 44.3 9.9 38.8 202 229 A G S >> S- 0 0 32 1,-0.1 3,-1.7 -4,-0.1 4,-1.2 -0.903 77.8 -53.6 156.1 179.9 40.7 8.8 38.2 203 230 A A H 3> S+ 0 0 17 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.754 119.1 66.6 -56.4 -32.9 37.8 8.2 35.9 204 231 A H H 3> S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.854 102.8 48.3 -58.6 -32.1 38.0 11.8 34.4 205 232 A R H <> S+ 0 0 119 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.889 109.6 50.7 -74.4 -39.0 41.4 10.8 32.9 206 233 A Q H X S+ 0 0 70 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.885 110.2 50.7 -63.0 -39.5 40.1 7.6 31.5 207 234 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.911 110.5 48.7 -62.0 -43.2 37.2 9.5 29.9 208 235 A Y H X S+ 0 0 96 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 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4,-2.0 1,-0.2 -1,-0.2 0.875 108.8 46.6 -58.9 -42.1 -1.4 -6.9 17.0 300 327 A E H X S+ 0 0 32 -4,-1.5 4,-3.1 2,-0.2 5,-0.5 0.868 112.5 49.3 -64.1 -43.2 -1.3 -3.3 15.8 301 328 A I H X>S+ 0 0 1 -4,-2.0 5,-2.4 2,-0.2 4,-2.4 0.942 111.9 49.7 -58.6 -45.7 1.6 -4.0 13.6 302 329 A E H <5S+ 0 0 107 -4,-3.3 -2,-0.2 3,-0.2 -1,-0.2 0.917 116.5 41.7 -60.3 -46.2 -0.2 -7.0 12.2 303 330 A Q H <5S+ 0 0 169 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.920 126.3 29.5 -65.1 -49.2 -3.3 -5.0 11.5 304 331 A V H <5S+ 0 0 40 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.879 137.9 14.7 -87.3 -36.3 -1.8 -1.8 10.1 305 332 A I T X5S- 0 0 14 -4,-2.4 4,-0.5 -5,-0.5 3,-0.3 0.814 86.6-154.5-108.6 -44.1 1.4 -3.0 8.4 306 333 A G T 4< - 0 0 14 -5,-2.4 -3,-0.1 1,-0.2 -1,-0.1 -0.245 38.1 -69.9 87.8-176.1 1.3 -6.8 8.1 307 334 A P T 4 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.512 118.8 50.5 -91.1 -6.7 4.2 -9.3 7.8 308 335 A H T 4 S+ 0 0 181 -3,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.886 93.0 63.4-104.9 -44.8 5.6 -8.4 4.4 309 336 A R S < S- 0 0 88 -4,-0.5 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