==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-FEB-12 4DNJ . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR W.ZHOU,S.G.BELL,W.YANG,A.B.H.TAN,R.ZHOU,E.O.D.JOHNSON,A.ZHAN . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 69.2 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 . 36 9.0 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 . 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 1 1 0 1 2 1 2 2 3 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 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 . 1 1 3 1 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 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 14 A S 0 0 103 0, 0.0 302,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.4 -15.0 -10.4 14.8 2 15 A Q - 0 0 168 3,-0.1 301,-0.0 0, 0.0 0, 0.0 0.473 360.0-135.8 -82.7 -6.5 -16.6 -8.7 17.9 3 16 A H S S- 0 0 102 1,-0.2 41,-0.1 2,-0.1 40,-0.1 0.927 73.8 -27.4 52.3 51.6 -14.5 -5.5 17.0 4 17 A G S > S+ 0 0 0 1,-0.2 3,-1.2 298,-0.1 -1,-0.2 0.807 79.8 176.6 84.1 32.7 -13.4 -4.8 20.6 5 18 A A T 3 S+ 0 0 46 1,-0.2 297,-0.4 297,-0.0 -1,-0.2 -0.477 70.5 16.2 -59.0 131.3 -16.1 -6.2 22.8 6 19 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.504 106.2 90.5 89.5 -0.4 -15.1 -5.8 26.5 7 20 A V S < S- 0 0 17 -3,-1.2 -1,-0.2 294,-0.1 30,-0.1 -0.916 86.0 -91.4-122.7 155.0 -12.4 -3.2 26.2 8 21 A P - 0 0 53 0, 0.0 30,-2.4 0, 0.0 2,-0.4 -0.433 38.6-145.5 -61.5 138.7 -12.7 0.6 26.3 9 22 A H E -a 38 0A 77 28,-0.2 2,-0.3 -2,-0.1 30,-0.2 -0.862 17.0-173.9-105.9 139.7 -13.1 2.2 22.9 10 23 A L E -a 39 0A 33 28,-2.3 30,-1.9 -2,-0.4 31,-0.5 -0.974 27.0-145.2-132.6 152.3 -11.6 5.6 22.1 11 24 A G + 0 0 60 -2,-0.3 28,-0.1 28,-0.2 -1,-0.0 0.336 53.6 135.4 -94.8 4.2 -11.9 8.0 19.1 12 25 A I - 0 0 20 1,-0.1 29,-0.3 14,-0.1 -2,-0.1 -0.299 46.4-149.7 -58.1 127.4 -8.2 9.2 19.3 13 26 A D > - 0 0 30 1,-0.1 3,-1.6 28,-0.1 6,-0.2 -0.921 9.1-170.0 -95.1 101.9 -6.5 9.3 15.9 14 27 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.364 86.8 54.8 -77.3 8.7 -2.8 8.6 16.7 15 28 A F T 3 S+ 0 0 6 4,-0.0 2,-0.2 161,-0.0 370,-0.0 0.194 81.3 115.6-118.3 15.6 -2.0 9.6 13.1 16 29 A A S <> S- 0 0 33 -3,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.546 72.6-123.1 -85.8 148.4 -3.7 13.0 13.2 17 30 A L H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.873 111.6 52.9 -60.1 -38.2 -1.6 16.1 12.7 18 31 A D H > S+ 0 0 141 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.854 108.5 53.0 -67.6 -31.7 -2.7 17.7 16.0 19 32 A Y H >4 S+ 0 0 5 -6,-0.2 3,-0.6 -3,-0.2 -2,-0.2 0.949 107.7 48.2 -65.6 -46.1 -1.7 14.5 17.7 20 33 A F H 3< S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.880 106.5 59.5 -64.1 -34.4 1.9 14.5 16.2 21 34 A A H 3< S- 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.856 133.2 -1.0 -61.4 -31.3 2.3 18.1 17.3 22 35 A D S << S+ 0 0 87 -4,-1.1 4,-0.4 -3,-0.6 -1,-0.3 -0.573 71.2 164.1-160.4 86.7 1.7 17.2 20.9 23 36 A P > + 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.598 53.8 89.1 -84.1 -10.8 1.0 13.5 21.6 24 37 A Y H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.864 84.8 49.2 -68.8 -38.7 1.6 13.4 25.3 25 38 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.940 116.4 43.5 -64.3 -40.8 -2.0 14.1 26.7 26 39 A E H > S+ 0 0 62 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.848 110.7 55.4 -76.3 -33.1 -3.6 11.5 24.3 27 40 A Q H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.912 108.9 49.0 -60.7 -41.8 -0.8 9.0 25.1 28 41 A E H X S+ 0 0 105 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.943 109.7 50.4 -62.1 -47.6 -1.7 9.5 28.8 29 42 A T H X S+ 0 0 66 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.923 109.7 52.4 -52.7 -46.5 -5.4 9.0 28.0 30 43 A L H X S+ 0 0 1 -4,-2.8 4,-0.7 1,-0.2 18,-0.3 0.887 112.5 44.5 -57.9 -41.8 -4.5 5.8 26.1 31 44 A R H >< S+ 0 0 16 -4,-2.3 3,-0.5 17,-0.2 -2,-0.2 0.909 115.1 47.0 -68.0 -42.9 -2.6 4.4 29.0 32 45 A E H 3< S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.746 99.0 68.6 -72.7 -22.0 -5.3 5.4 31.6 33 46 A A H 3< S- 0 0 37 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 119.3 -71.5 -68.0 -33.7 -8.2 4.0 29.7 34 47 A G << - 0 0 8 -4,-0.7 14,-0.3 -3,-0.5 -1,-0.3 -0.850 45.9 -79.0 156.2 172.1 -6.9 0.5 30.2 35 48 A P S S+ 0 0 37 0, 0.0 2,-0.4 0, 0.0 14,-0.4 0.817 120.2 31.2 -71.9 -28.3 -4.2 -2.1 29.3 36 49 A V S S+ 0 0 3 263,-0.2 2,-0.3 11,-0.1 11,-0.2 -0.996 74.8 178.8-131.1 127.7 -5.9 -2.8 26.0 37 50 A V E - B 0 46A 2 9,-2.5 9,-2.7 -2,-0.4 2,-0.5 -0.780 24.4-132.3-121.0 162.1 -8.0 -0.2 24.1 38 51 A Y E -aB 9 45A 2 -30,-2.4 -28,-2.3 -2,-0.3 2,-0.9 -0.987 16.5-145.4-115.4 125.3 -9.9 -0.4 20.8 39 52 A L E >>> -aB 10 44A 0 5,-3.2 4,-1.6 -2,-0.5 5,-1.1 -0.788 9.2-167.2 -93.7 102.4 -9.3 2.5 18.4 40 53 A D T 345S+ 0 0 76 -30,-1.9 -29,-0.2 -2,-0.9 -1,-0.2 0.807 80.6 67.8 -54.5 -33.7 -12.6 3.3 16.6 41 54 A K T 345S+ 0 0 113 -31,-0.5 -1,-0.2 -29,-0.3 -28,-0.1 0.906 121.8 13.4 -59.4 -42.4 -10.9 5.5 14.0 42 55 A W T <45S- 0 0 55 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.400 99.4-119.6-117.6 3.8 -8.9 2.6 12.4 43 56 A N T <5S+ 0 0 93 -4,-1.6 265,-0.3 1,-0.2 2,-0.3 0.947 71.5 122.3 55.0 52.3 -10.7 -0.5 13.9 44 57 A V E < -B 39 0A 4 -5,-1.1 -5,-3.2 263,-0.1 -1,-0.2 -0.946 63.4-112.4-134.6 158.9 -7.5 -1.8 15.5 45 58 A Y E -Bc 38 309A 6 263,-2.5 265,-3.2 -2,-0.3 2,-0.4 -0.565 32.8-155.2 -82.5 159.0 -6.6 -2.7 19.1 46 59 A G E -Bc 37 310A 0 -9,-2.7 -9,-2.5 263,-0.2 2,-0.4 -0.989 15.7-167.1-139.7 145.3 -4.0 -0.6 20.9 47 60 A V E + c 0 311A 1 263,-2.6 265,-2.4 -2,-0.4 269,-0.2 -0.990 15.2 163.8-131.3 126.3 -1.6 -1.1 23.8 48 61 A A + 0 0 2 -2,-0.4 2,-0.3 -14,-0.3 -17,-0.2 0.480 46.9 89.9-123.7 -8.3 0.1 2.0 25.3 49 62 A R S > S- 0 0 47 -14,-0.4 4,-2.4 -19,-0.2 5,-0.2 -0.659 78.9-120.3 -89.9 155.1 1.5 0.8 28.6 50 63 A Y H > S+ 0 0 25 266,-0.3 4,-2.8 -2,-0.3 5,-0.3 0.888 107.8 56.2 -57.6 -48.6 4.9 -0.6 29.0 51 64 A A H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 114.4 37.2 -56.5 -46.6 3.8 -4.0 30.4 52 65 A E H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.845 114.6 53.7 -76.9 -33.5 1.6 -4.8 27.4 53 66 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.940 112.7 46.0 -58.9 -48.2 3.9 -3.3 24.7 54 67 A Y H X S+ 0 0 99 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.928 112.8 50.1 -60.7 -47.0 6.7 -5.4 26.1 55 68 A A H < S+ 0 0 42 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.914 112.4 45.8 -59.9 -44.4 4.5 -8.6 26.2 56 69 A V H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 7,-0.3 0.940 111.9 51.5 -65.4 -45.1 3.3 -8.2 22.7 57 70 A L H 3< S+ 0 0 7 -4,-2.6 288,-0.3 1,-0.3 289,-0.3 0.859 109.9 50.9 -58.3 -38.7 6.8 -7.5 21.3 58 71 A N T 3< S+ 0 0 63 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.305 100.3 65.4 -88.5 13.3 8.2 -10.6 23.1 59 72 A D <> + 0 0 60 -3,-1.8 4,-2.8 -4,-0.1 3,-0.2 -0.612 59.1 161.6-128.4 73.2 5.5 -12.9 21.7 60 73 A P T 4 + 0 0 15 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.706 69.0 53.7 -75.0 -22.2 6.3 -12.9 17.9 61 74 A L T 4 S+ 0 0 93 3,-0.1 3,-0.3 1,-0.1 232,-0.1 0.866 117.4 38.4 -79.1 -29.3 4.5 -16.1 16.8 62 75 A T T 4 S+ 0 0 8 1,-0.3 231,-1.8 -3,-0.2 2,-0.9 0.902 126.4 35.7 -81.3 -47.0 1.2 -14.9 18.4 63 76 A F E < S-D 292 0A 8 -4,-2.8 -1,-0.3 -7,-0.3 229,-0.2 -0.792 96.8-165.4-111.2 93.3 1.6 -11.2 17.5 64 77 A C E -D 291 0A 1 227,-2.4 227,-1.7 -2,-0.9 -3,-0.1 -0.218 31.5-156.9 -90.7 166.8 3.2 -11.7 14.1 65 78 A S S > S+ 0 0 0 -5,-0.2 3,-1.7 225,-0.2 -1,-0.1 0.473 79.0 84.8-109.6 -11.0 5.1 -9.3 11.7 66 79 A S T 3 S+ 0 0 52 1,-0.3 3,-0.1 225,-0.1 22,-0.1 0.627 84.4 57.8 -77.7 -6.4 4.6 -11.3 8.5 67 80 A R T 3 S- 0 0 29 1,-0.3 7,-1.8 224,-0.1 -1,-0.3 0.130 128.8 -80.7-103.0 22.9 1.2 -9.7 7.9 68 81 A G < - 0 0 0 -3,-1.7 -1,-0.3 5,-0.2 -2,-0.1 0.169 24.0-124.9 98.0 144.2 2.9 -6.2 7.9 69 82 A V S S+ 0 0 0 -3,-0.1 220,-2.5 221,-0.1 2,-0.2 0.195 91.6 72.4-107.2 14.9 3.9 -4.0 10.8 70 83 A G S S- 0 0 7 2,-0.4 106,-0.2 218,-0.2 105,-0.1 -0.497 107.2 -85.8-107.1-169.6 1.9 -1.1 9.4 71 84 A L S S+ 0 0 27 104,-2.3 105,-0.1 -2,-0.2 104,-0.1 0.891 101.9 91.0 -64.1 -40.8 -1.9 -0.8 9.5 72 85 A S S S- 0 0 20 104,-0.3 2,-0.7 103,-0.1 -2,-0.4 -0.326 72.8-139.9 -61.4 132.5 -2.4 -2.7 6.3 73 86 A D >> - 0 0 11 1,-0.1 3,-2.1 -4,-0.1 4,-2.0 -0.865 4.2-151.5 -92.5 118.3 -2.9 -6.5 6.7 74 87 A F T 34 S+ 0 0 41 -7,-1.8 -1,-0.1 -2,-0.7 -6,-0.1 0.662 94.5 63.2 -68.7 -16.4 -0.9 -8.2 3.9 75 88 A K T 34 S+ 0 0 143 -8,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.742 116.2 30.7 -70.9 -25.6 -3.4 -11.1 4.0 76 89 A K T <4 S+ 0 0 149 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.616 125.8 31.8-108.9 -22.3 -6.2 -8.7 2.9 77 90 A E S < S- 0 0 114 -4,-2.0 -1,-0.3 0, 0.0 3,-0.1 -0.999 82.9-106.2-143.2 141.2 -4.3 -6.1 0.8 78 91 A K - 0 0 188 -2,-0.4 -3,-0.1 -3,-0.1 -4,-0.0 -0.375 48.2-109.4 -62.3 132.8 -1.3 -6.2 -1.5 79 92 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.334 17.8-121.3 -66.0 151.3 1.7 -4.4 0.2 80 93 A W S S+ 0 0 54 94,-0.1 -2,-0.1 1,-0.1 94,-0.0 0.743 99.7 9.3 -66.1 -26.0 2.8 -1.1 -1.1 81 94 A R S S- 0 0 13 3,-0.0 3,-0.1 0, 0.0 -1,-0.1 -0.955 107.2 -74.3-141.6 163.8 6.2 -2.6 -1.7 82 95 A P - 0 0 85 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.340 69.3 -90.6 -60.3 139.3 7.4 -6.2 -1.5 83 96 A P - 0 0 47 0, 0.0 2,-0.1 0, 0.0 -17,-0.0 -0.111 41.2-102.9 -53.1 142.0 7.6 -7.2 2.3 84 97 A S > - 0 0 3 1,-0.1 4,-0.7 -3,-0.1 -16,-0.1 -0.448 24.3-138.5 -56.3 134.3 10.9 -6.6 4.1 85 98 A L T 4 S+ 0 0 50 145,-0.2 12,-0.2 142,-0.1 13,-0.2 0.455 99.5 27.6 -74.9 -5.1 12.6 -10.1 4.5 86 99 A I T >4 S+ 0 0 14 11,-0.1 3,-1.1 12,-0.1 12,-0.1 0.642 125.4 39.0-117.9 -57.4 13.6 -9.2 8.1 87 100 A L T 34 S+ 0 0 45 1,-0.3 -2,-0.1 -21,-0.0 -19,-0.0 0.843 123.5 40.7 -65.7 -37.5 11.1 -6.6 9.5 88 101 A E T 3< S+ 0 0 11 -4,-0.7 2,-0.3 -22,-0.1 -1,-0.3 -0.252 102.2 87.8-111.2 43.3 8.0 -8.3 8.0 89 102 A A < - 0 0 11 -3,-1.1 -22,-0.1 -22,-0.1 -4,-0.0 -0.966 61.3-144.1-133.1 155.0 9.0 -11.9 8.5 90 103 A D >> - 0 0 29 -2,-0.3 4,-2.2 -25,-0.1 3,-0.6 -0.784 43.9 -53.5-112.4 159.0 8.5 -14.3 11.4 91 104 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 254,-0.0 -0.394 117.7 32.2 -60.3 145.6 10.9 -17.0 12.7 92 105 A P T 3> S+ 0 0 114 0, 0.0 4,-1.2 0, 0.0 3,-0.2 -0.987 129.6 38.9 -85.3 -16.7 12.2 -19.3 11.2 93 106 A A H <> S+ 0 0 60 -3,-0.6 4,-1.3 1,-0.2 3,-0.3 0.923 119.2 51.5 -53.6 -43.3 12.4 -17.2 7.9 94 107 A H H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.866 100.8 62.6 -61.4 -35.1 13.3 -14.1 10.1 95 108 A T H > S+ 0 0 79 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.916 104.7 44.6 -59.9 -44.7 16.0 -16.0 11.9 96 109 A R H X S+ 0 0 101 -4,-1.2 4,-1.0 -3,-0.3 -1,-0.2 0.850 117.1 43.3 -71.3 -38.4 18.3 -16.6 8.8 97 110 A T H X S+ 0 0 3 -4,-1.3 4,-1.6 -12,-0.2 3,-0.3 0.904 113.7 51.1 -81.5 -38.8 17.9 -13.0 7.3 98 111 A R H X S+ 0 0 51 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.873 104.2 58.8 -56.2 -44.0 18.4 -11.3 10.7 99 112 A A H X S+ 0 0 36 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.885 103.8 52.6 -61.7 -33.0 21.6 -13.4 11.3 100 113 A V H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.970 112.5 42.8 -63.8 -50.3 23.1 -11.9 8.1 101 114 A L H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.866 109.1 57.9 -67.7 -31.1 22.5 -8.3 9.1 102 115 A S H < S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.897 110.9 45.0 -65.6 -34.2 23.7 -9.1 12.8 103 116 A K H >< S+ 0 0 97 -4,-1.7 3,-1.2 -5,-0.2 -2,-0.2 0.913 112.5 50.2 -74.8 -41.6 27.0 -10.2 11.2 104 117 A V H 3< S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.873 119.6 36.3 -62.0 -37.8 27.3 -7.2 8.9 105 118 A L T 3< S+ 0 0 5 -4,-2.2 -1,-0.3 -5,-0.2 247,-0.2 -0.287 93.4 154.0-107.4 41.7 26.6 -4.7 11.7 106 119 A S <> - 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0 0 40 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.309 51.2 -93.2 105.4 -4.0 30.0 31.0 15.1 133 146 A G S -F 393 0B 37 -2,-0.3 4,-2.0 257,-0.2 5,-0.4 -0.844 25.4-151.6 -91.4 112.7 20.3 24.5 12.8 137 150 A A T 4>S+ 0 0 0 255,-2.8 5,-2.8 -2,-0.8 4,-0.1 0.670 92.3 45.8 -56.0 -21.1 20.6 21.4 14.9 138 151 A I I >4>S+ 0 0 1 3,-0.2 5,-3.1 4,-0.2 3,-1.3 0.900 122.1 26.8 -85.9 -78.5 18.6 19.5 12.2 139 152 A A I 34>S+ 0 0 44 251,-0.3 5,-0.7 1,-0.3 -2,-0.1 0.873 129.7 42.4 -50.3 -45.6 20.0 20.5 8.8 140 153 A D I 3<5S- 0 0 34 -4,-2.0 -1,-0.3 3,-0.1 -3,-0.2 0.564 135.7 -0.1 -84.8 -9.9 23.5 21.3 10.1 141 154 A L I <>5S+ 0 0 1 -3,-1.3 4,-2.5 -5,-0.4 -3,-0.2 0.515 125.5 47.8-143.7 -66.3 24.0 18.4 12.4 142 155 A A I 4X S+ 0 0 0 -4,-2.5 3,-1.0 2,-0.2 4,-0.8 0.979 110.4 41.7 -62.6 -54.5 26.3 14.1 10.3 146 159 A P H >> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-1.1 0.910 112.8 56.2 -62.7 -35.6 24.6 10.7 9.3 147 160 A L H 3< S+ 0 0 56 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.857 104.4 55.0 -57.8 -28.3 24.7 11.9 5.6 148 161 A S H << S+ 0 0 55 -4,-1.5 -1,-0.2 -3,-1.0 -3,-0.1 0.619 125.5 16.6 -81.7 -13.8 28.6 12.3 6.1 149 162 A V H >S+ 0 0 0 0, 0.0 5,-2.4 0, 0.0 4,-0.9 0.917 116.0 47.6 -58.8 -40.6 26.0 6.3 2.7 152 165 A D H >45S+ 0 0 84 -5,-0.3 3,-0.7 1,-0.2 -2,-0.2 0.922 109.9 52.4 -63.9 -40.9 29.8 5.9 2.5 153 166 A A H 3<5S+ 0 0 16 -4,-2.3 57,-2.6 1,-0.3 -1,-0.2 0.849 109.5 50.5 -64.0 -31.1 29.6 3.0 5.1 154 167 A M H 3<5S- 0 0 0 -4,-2.3 57,-1.7 55,-0.3 58,-0.4 0.728 114.6-121.0 -73.2 -25.4 27.0 1.4 2.9 155 168 A G T <<5 + 0 0 8 -4,-0.9 51,-2.8 -3,-0.7 -3,-0.2 0.735 53.6 163.5 84.7 25.7 29.3 1.8 -0.2 156 169 A L < - 0 0 9 -5,-2.4 -1,-0.2 49,-0.2 49,-0.1 -0.508 41.9-109.1 -75.5 144.6 26.7 4.0 -2.1 157 170 A K - 0 0 103 47,-0.5 -1,-0.1 -2,-0.2 4,-0.0 -0.254 27.6-116.1 -60.2 161.5 27.9 6.0 -5.1 158 171 A Q S > S+ 0 0 120 2,-0.1 3,-1.2 3,-0.0 -1,-0.1 0.920 91.6 83.0 -67.1 -45.8 28.0 9.8 -4.6 159 172 A E T 3 S+ 0 0 147 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.324 93.7 18.5 -67.9 133.6 25.3 10.6 -7.2 160 173 A G T > S+ 0 0 15 -2,-0.0 3,-2.3 1,-0.0 -1,-0.2 0.434 75.3 129.3 99.1 -2.2 21.6 10.3 -6.2 161 174 A R G X + 0 0 31 -3,-1.2 3,-2.2 1,-0.3 4,-0.5 0.756 58.2 77.4 -67.5 -19.7 22.0 10.4 -2.4 162 175 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.623 85.9 65.5 -58.2 -14.0 19.3 13.2 -2.2 163 176 A N G <> S+ 0 0 25 -3,-2.3 4,-2.1 1,-0.1 -1,-0.3 0.633 83.3 77.8 -80.6 -14.2 16.9 10.3 -2.7 164 177 A L H <> S+ 0 0 6 -3,-2.2 4,-2.4 2,-0.2 77,-0.2 0.907 93.4 41.9 -69.9 -51.0 17.7 8.7 0.7 165 178 A L H > S+ 0 0 38 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.917 115.8 50.1 -65.7 -41.5 15.9 10.8 3.2 166 179 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.903 110.3 52.2 -58.3 -40.2 12.7 11.1 1.0 167 180 A Y H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.950 111.0 45.7 -60.6 -47.6 12.8 7.3 0.6 168 181 A A H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.929 110.3 53.8 -60.6 -42.5 12.9 6.8 4.3 169 182 A G H X S+ 0 0 15 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.926 110.9 48.6 -56.6 -45.3 10.1 9.4 4.9 170 183 A L H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.936 109.9 48.7 -59.7 -53.1 8.0 7.4 2.5 171 184 A V H X S+ 0 0 3 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.945 115.2 46.1 -54.9 -44.9 8.7 4.0 4.2 172 185 A F H >< S+ 0 0 9 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.895 113.7 48.2 -72.1 -32.8 7.9 5.5 7.6 173 186 A N H >< S+ 0 0 18 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.858 103.7 62.5 -68.8 -31.3 4.8 7.2 6.3 174 187 A A H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.663 90.6 63.8 -75.5 -16.8 3.6 4.0 4.6 175 188 A F T << S+ 0 0 10 -4,-0.8 -104,-2.3 -3,-0.6 -1,-0.3 0.686 95.7 85.4 -68.6 -20.9 3.3 2.0 7.9 176 189 A G S < S- 0 0 3 -3,-1.3 -104,-0.3 -4,-0.4 -105,-0.2 -0.047 94.5 -84.1 -73.3 176.5 0.6 4.5 8.7 177 190 A P - 0 0 0 0, 0.0 2,-2.7 0, 0.0 5,-0.3 -0.295 59.2 -80.6 -73.4 172.4 -3.1 4.5 7.7 178 191 A P S S+ 0 0 93 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.304 83.1 135.8 -75.5 61.9 -4.2 5.8 4.4 179 192 A N S > S- 0 0 30 -2,-2.7 4,-2.8 -164,-0.0 5,-0.2 -0.270 74.3 -83.6 -98.0-175.9 -4.2 9.5 5.4 180 193 A E H > S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.898 126.7 55.0 -57.3 -44.5 -2.8 12.5 3.5 181 194 A L H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 115.0 40.0 -57.8 -45.0 0.8 11.9 4.7 182 195 A R H > S+ 0 0 47 -5,-0.3 4,-2.5 2,-0.2 5,-0.3 0.957 116.3 48.2 -70.1 -48.4 0.7 8.4 3.4 183 196 A Q H X S+ 0 0 110 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.914 114.0 47.0 -58.2 -46.6 -1.2 9.0 0.1 184 197 A S H X S+ 0 0 21 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.882 110.8 50.6 -64.6 -46.3 1.0 12.0 -0.8 185 198 A A H < S+ 0 0 8 -4,-1.8 4,-0.3 -5,-0.4 -1,-0.2 0.925 111.7 47.7 -60.1 -45.4 4.3 10.1 -0.1 186 199 A I H >< S+ 0 0 53 -4,-2.5 3,-1.6 1,-0.2 4,-0.4 0.931 109.4 55.2 -62.1 -39.7 3.3 7.1 -2.3 187 200 A E H 3< S+ 0 0 137 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.842 115.2 37.1 -63.5 -35.7 2.2 9.5 -5.1 188 201 A R T 3< S+ 0 0 146 -4,-1.7 4,-0.4 1,-0.1 -1,-0.3 0.361 96.0 95.2 -93.4 9.9 5.6 11.2 -5.2 189 202 A S X> + 0 0 6 -3,-1.6 4,-2.7 -4,-0.3 3,-0.7 0.719 50.6 91.2 -80.5 -23.6 7.6 7.9 -4.5 190 203 A A H 3> S+ 0 0 68 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.812 89.4 43.1 -50.4 -51.9 8.6 6.6 -8.0 191 204 A P H 3> S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.887 116.7 48.5 -64.1 -32.1 12.0 8.2 -8.4 192 205 A H H <> S+ 0 0 36 -3,-0.7 4,-2.2 -4,-0.4 -2,-0.2 0.910 113.1 47.0 -72.1 -45.0 13.0 7.5 -4.8 193 206 A Q H X S+ 0 0 59 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.856 112.5 50.5 -61.4 -42.1 11.9 3.8 -5.1 194 207 A A H X S+ 0 0 43 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.922 108.9 50.8 -62.6 -46.3 13.7 3.5 -8.4 195 208 A Y H X S+ 0 0 18 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.924 114.1 44.9 -54.8 -51.6 16.9 5.0 -7.0 196 209 A V H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.953 109.2 54.4 -59.6 -50.8 16.8 2.6 -4.1 197 210 A A H < S+ 0 0 53 -4,-2.9 4,-0.2 1,-0.2 3,-0.2 0.900 113.5 44.6 -49.8 -46.2 16.0 -0.5 -6.2 198 211 A E H >< S+ 0 0 116 -4,-2.3 3,-2.0 1,-0.2 6,-0.2 0.936 110.1 51.9 -65.2 -48.5 19.1 0.3 -8.4 199 212 A Q H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.686 98.9 66.4 -70.2 -19.2 21.5 1.0 -5.6 200 213 A C T 3< S+ 0 0 3 -4,-1.7 -1,-0.3 -3,-0.2 2,-0.2 0.639 81.6 101.1 -70.7 -14.5 20.6 -2.3 -3.9 201 214 A Q S X S- 0 0 88 -3,-2.0 3,-1.9 -4,-0.2 4,-0.3 -0.506 82.3-118.4 -79.5 146.4 22.1 -4.2 -6.8 202 215 A R G > S+ 0 0 96 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.827 106.8 54.8 -52.4 -44.4 25.6 -5.7 -6.4 203 216 A P G 3 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.683 104.2 58.1 -66.5 -12.4 27.5 -3.8 -9.1 204 217 A N G < S+ 0 0 47 -3,-1.9 2,-0.5 -6,-0.2 -47,-0.5 0.419 89.9 85.2 -96.6 2.7 26.4 -0.5 -7.7 205 218 A L S < S- 0 0 13 -3,-1.7 -49,-0.2 -4,-0.3 -50,-0.1 -0.919 78.6-124.2-118.5 116.0 27.9 -1.1 -4.2 206 219 A A > - 0 0 49 -51,-2.8 3,-1.5 -2,-0.5 6,-0.5 -0.175 34.9 -96.9 -57.7 145.2 31.6 -0.3 -3.5 207 220 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.237 106.7 27.7 -57.5 145.9 33.8 -3.0 -2.1 208 221 A G T 3 S+ 0 0 67 1,-0.3 -53,-0.1 -3,-0.1 -2,-0.1 0.177 97.2 109.7 93.5 -17.0 34.3 -3.1 1.7 209 222 A G S <> S- 0 0 9 -3,-1.5 4,-2.4 -55,-0.1 -1,-0.3 -0.275 84.9 -98.9 -92.5 177.8 30.9 -1.4 2.5 210 223 A F H > S+ 0 0 8 -57,-2.6 4,-2.1 1,-0.2 -56,-0.2 0.849 120.3 56.0 -65.2 -41.3 27.8 -2.9 4.2 211 224 A G H > S+ 0 0 0 -57,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.944 111.0 42.6 -52.1 -52.0 26.1 -3.4 0.8 212 225 A A H > S+ 0 0 23 -6,-0.5 4,-2.1 -58,-0.4 -2,-0.2 0.890 109.8 58.0 -70.4 -34.4 28.9 -5.5 -0.6 213 226 A C H X S+ 0 0 52 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.909 107.1 48.0 -57.4 -43.4 29.3 -7.4 2.6 214 227 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.938 109.7 52.7 -60.1 -47.9 25.6 -8.5 2.4 215 228 A H H >< S+ 0 0 6 -4,-2.0 3,-1.7 1,-0.3 4,-0.5 0.836 97.7 66.2 -61.8 -31.0 26.1 -9.5 -1.2 216 229 A A H >X S+ 0 0 45 -4,-2.1 3,-1.2 1,-0.3 4,-0.9 0.772 89.8 65.7 -60.2 -28.8 29.0 -11.7 -0.2 217 230 A F T <<>S+ 0 0 30 -3,-1.4 6,-1.6 -4,-0.7 5,-1.0 0.692 93.8 60.4 -68.5 -16.3 26.6 -13.9 1.8 218 231 A S T <45S+ 0 0 17 -3,-1.7 3,-0.4 -4,-0.4 -1,-0.3 0.735 97.2 58.8 -79.0 -18.0 25.1 -14.9 -1.5 219 232 A D T <45S+ 0 0 113 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.818 107.0 46.1 -79.4 -31.7 28.4 -16.3 -2.7 220 233 A T T <5S- 0 0 105 -4,-0.9 -1,-0.2 3,-0.0 -2,-0.2 0.385 115.0-113.3 -87.5 -2.2 28.6 -18.8 0.3 221 234 A G T 5S+ 0 0 61 -3,-0.4 -3,-0.2 2,-0.3 -4,-0.1 0.428 84.2 121.8 81.9 0.4 24.9 -19.9 -0.2 222 235 A E S - 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