==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 23-NOV-93 1CPT . COMPND 2 MOLECULE: CYTOCHROME P450-TERP; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR C.A.HASEMANN,K.G.RAVICHANDRAN,J.A.PETERSON,J.DEISENHOFER . 412 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 71.8 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 . 35 8.5 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 . 22 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 3 0 0 1 1 3 3 0 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 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 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 1 A M 0 0 144 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 79.2 8.3 29.6 97.4 2 2 A D > - 0 0 49 1,-0.1 3,-1.7 2,-0.1 40,-0.0 0.806 360.0-134.1 56.8 105.4 7.5 27.1 94.5 3 3 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.481 97.2 68.2 -73.8 1.2 4.6 25.2 96.1 4 4 A R T 3 S+ 0 0 87 39,-0.1 38,-0.5 37,-0.0 2,-0.4 0.514 74.1 112.3 -95.2 -5.0 5.9 21.8 95.1 5 5 A A < + 0 0 21 -3,-1.7 38,-0.2 1,-0.2 47,-0.1 -0.551 30.2 159.1 -76.6 120.5 8.8 22.2 97.6 6 6 A T + 0 0 81 36,-1.7 37,-0.2 -2,-0.4 -1,-0.2 0.602 33.3 107.5-118.0 -23.2 8.5 19.8 100.5 7 7 A I S S- 0 0 8 35,-2.4 37,-0.3 1,-0.1 2,-0.2 -0.490 79.6-107.4 -66.4 129.0 12.0 19.4 102.0 8 8 A P >> - 0 0 40 0, 0.0 4,-2.4 0, 0.0 3,-1.2 -0.418 26.5-120.4 -56.8 127.7 12.1 21.3 105.4 9 9 A E H 3> S+ 0 0 114 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.754 109.6 57.8 -43.3 -34.5 14.2 24.4 105.0 10 10 A H H 3> S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.941 111.4 41.0 -71.1 -37.0 16.7 23.3 107.7 11 11 A I H <> S+ 0 0 13 -3,-1.2 4,-2.6 2,-0.2 5,-0.2 0.979 115.2 53.4 -68.8 -48.1 17.6 20.1 105.8 12 12 A A H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 5,-0.3 0.880 109.3 46.4 -53.4 -46.5 17.5 22.1 102.5 13 13 A R H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 3,-0.4 0.951 111.5 53.9 -64.3 -42.3 20.0 24.7 103.8 14 14 A T H < S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 113.4 41.1 -61.0 -40.4 22.3 22.0 105.2 15 15 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.777 121.9 36.6 -82.0 -20.9 22.5 20.1 101.9 16 16 A I H < S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.4 -3,-0.2 0.859 95.1 81.2 -99.8 -42.7 22.8 23.0 99.5 17 17 A L S < S- 0 0 31 -4,-2.3 4,-0.3 -5,-0.3 3,-0.2 -0.253 78.0-127.6 -67.0 152.0 24.9 25.6 101.1 18 18 A P S > S+ 0 0 35 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.736 92.0 77.2 -75.5 -17.6 28.7 25.1 101.0 19 19 A Q G > S+ 0 0 121 1,-0.3 3,-2.1 377,-0.2 378,-0.1 0.936 88.6 54.4 -59.2 -51.5 29.4 25.5 104.7 20 20 A G G > S+ 0 0 13 1,-0.3 3,-1.2 -6,-0.2 7,-0.6 0.593 90.2 73.4 -65.9 -15.1 28.2 22.1 105.9 21 21 A Y G < S+ 0 0 6 -3,-1.0 -1,-0.3 -4,-0.3 381,-0.2 0.760 81.9 72.8 -74.9 -15.9 30.4 20.1 103.6 22 22 A A G < S+ 0 0 37 -3,-2.1 372,-0.6 -4,-0.4 2,-0.3 0.537 101.0 48.2 -72.4 1.7 33.4 21.0 105.7 23 23 A D X> - 0 0 82 -3,-1.2 3,-2.1 1,-0.1 4,-1.5 -0.891 67.8-154.6-145.1 114.0 32.2 18.6 108.4 24 24 A D H 3> S+ 0 0 50 -2,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.790 94.8 58.9 -61.0 -29.2 31.0 15.1 107.8 25 25 A E H 34 S+ 0 0 177 1,-0.2 -1,-0.3 2,-0.2 -5,-0.0 0.498 107.1 50.2 -84.1 1.3 28.7 15.0 110.9 26 26 A V H <> S+ 0 0 57 -3,-2.1 4,-0.9 -6,-0.3 -2,-0.2 0.825 118.8 31.6 -90.7 -50.5 26.7 18.0 109.5 27 27 A I H X S+ 0 0 3 -4,-1.5 4,-2.0 -7,-0.6 3,-0.3 0.917 111.5 57.2 -83.9 -39.6 26.1 16.8 106.0 28 28 A Y H X S+ 0 0 13 -4,-1.8 4,-2.7 1,-0.2 -1,-0.1 0.899 106.2 50.4 -65.5 -37.1 25.8 12.9 106.2 29 29 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.850 109.8 51.5 -60.2 -41.4 22.9 13.0 108.8 30 30 A A H X S+ 0 0 7 -4,-0.9 4,-2.5 -3,-0.3 -2,-0.2 0.937 112.1 45.1 -61.4 -50.2 20.9 15.4 106.7 31 31 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.924 110.5 54.9 -61.5 -43.9 21.2 13.2 103.6 32 32 A K H X S+ 0 0 91 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.926 106.8 50.9 -54.6 -41.3 20.4 10.2 105.7 33 33 A W H X S+ 0 0 84 -4,-2.0 4,-3.3 2,-0.2 5,-0.4 0.979 111.0 50.2 -59.2 -49.8 17.1 12.0 106.8 34 34 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.922 110.3 47.1 -54.5 -54.9 16.4 12.6 103.1 35 35 A R H < S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 118.8 41.9 -56.7 -39.4 16.9 9.0 101.9 36 36 A D H < S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.926 132.9 17.8 -75.6 -39.2 14.8 7.7 104.8 37 37 A E H < S+ 0 0 121 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.860 138.0 12.6-101.8 -47.5 12.0 10.3 104.5 38 38 A Q < + 0 0 50 -4,-1.9 3,-0.2 -5,-0.4 -1,-0.1 -0.515 63.9 177.5-133.8 67.4 11.9 12.2 101.2 39 39 A P S S+ 0 0 35 0, 0.0 16,-1.3 0, 0.0 17,-0.5 0.759 80.6 13.9 -49.2 -33.3 14.3 10.3 98.9 40 40 A L E S+A 54 0A 5 14,-0.2 2,-0.3 -6,-0.1 14,-0.1 -0.861 90.3 137.0-148.0 106.3 13.5 12.6 95.9 41 41 A A E -A 53 0A 4 12,-0.5 12,-1.9 -2,-0.4 2,-0.4 -0.890 50.4 -95.6-145.7 172.9 11.9 15.8 96.8 42 42 A M E -A 52 0A 1 -38,-0.5 -35,-2.4 -2,-0.3 -36,-1.7 -0.818 29.8-172.5-103.1 137.4 12.0 19.5 96.0 43 43 A A E -A 51 0A 0 8,-2.9 8,-2.1 -2,-0.4 2,-0.3 -0.878 3.0-177.1-115.8 150.9 13.9 22.0 98.0 44 44 A H + 0 0 40 -2,-0.3 2,-0.2 -37,-0.3 -31,-0.1 -0.797 10.7 174.3-147.9 108.1 13.7 25.8 97.4 45 45 A I > - 0 0 3 4,-0.4 3,-1.8 -2,-0.3 2,-0.1 -0.704 42.7 -78.9-112.5 169.5 15.8 28.0 99.6 46 46 A E T 3 S+ 0 0 159 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.415 115.8 19.6 -64.6 130.2 16.4 31.7 99.5 47 47 A G T 3 S+ 0 0 34 1,-0.3 35,-1.3 -2,-0.1 36,-0.4 0.389 114.1 77.4 92.6 -1.0 18.9 32.7 96.9 48 48 A Y S < S- 0 0 19 -3,-1.8 -1,-0.3 33,-0.2 33,-0.1 -0.804 79.9-103.8-134.9 169.6 18.5 29.6 94.8 49 49 A D - 0 0 42 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.584 48.6 -93.0 -82.8 155.9 16.2 28.0 92.3 50 50 A P + 0 0 33 0, 0.0 272,-0.5 0, 0.0 2,-0.3 -0.363 55.3 176.0 -57.2 151.2 13.9 25.1 93.3 51 51 A M E -Ab 43 322A 2 -8,-2.1 -8,-2.9 270,-0.1 2,-0.3 -0.984 33.9-121.2-163.2 149.6 15.5 21.8 92.7 52 52 A W E -Ab 42 323A 12 270,-2.4 272,-3.3 -2,-0.3 2,-0.7 -0.724 26.2-143.6 -88.5 144.0 15.0 18.1 93.2 53 53 A I E -Ab 41 324A 1 -12,-1.9 2,-0.9 -2,-0.3 -12,-0.5 -0.925 5.6-155.4-115.6 110.0 17.7 16.4 95.3 54 54 A A E +Ab 40 325A 0 270,-2.0 272,-2.1 -2,-0.7 276,-0.2 -0.803 26.8 161.0 -84.5 110.2 18.5 12.9 94.1 55 55 A T + 0 0 0 -16,-1.3 2,-0.3 -2,-0.9 -1,-0.2 0.510 41.4 91.0-105.1 -16.4 19.8 11.3 97.2 56 56 A K S > S- 0 0 12 -17,-0.5 4,-2.0 1,-0.1 3,-0.3 -0.661 71.8-133.5 -93.0 144.0 19.4 7.6 96.3 57 57 A H H > S+ 0 0 4 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.883 108.4 50.0 -53.0 -43.7 22.0 5.4 94.5 58 58 A A H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.869 109.9 49.5 -71.8 -33.9 19.5 4.1 92.1 59 59 A D H > S+ 0 0 4 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.823 107.7 52.6 -75.0 -28.7 18.1 7.5 91.2 60 60 A V H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.950 110.2 50.3 -72.4 -43.8 21.6 9.1 90.5 61 61 A M H X S+ 0 0 36 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.911 112.8 47.6 -57.8 -41.8 22.3 6.1 88.1 62 62 A Q H X S+ 0 0 63 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.877 112.3 45.3 -69.7 -42.1 19.0 6.6 86.3 63 63 A I H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.2 7,-0.2 0.989 113.2 52.2 -65.7 -50.2 19.2 10.4 85.8 64 64 A G H 3< S+ 0 0 4 -4,-2.2 295,-1.8 1,-0.3 296,-0.3 0.678 103.8 57.8 -62.0 -19.8 22.9 10.1 84.6 65 65 A K H 3< S+ 0 0 117 -4,-1.0 -1,-0.3 293,-0.3 3,-0.2 0.666 99.7 61.8 -83.8 -17.2 22.0 7.4 82.0 66 66 A Q XX + 0 0 63 -3,-2.0 4,-2.4 -4,-0.6 3,-1.8 -0.550 48.8 159.1-112.0 72.7 19.5 9.6 80.2 67 67 A P T 34 S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.791 77.6 66.0 -59.7 -23.8 21.2 12.8 78.8 68 68 A G T 34 S+ 0 0 64 -3,-0.2 3,-0.2 1,-0.2 -2,-0.1 0.766 114.5 29.1 -67.7 -23.3 18.2 13.0 76.4 69 69 A L T <4 S+ 0 0 31 -3,-1.8 238,-2.9 1,-0.3 2,-0.6 0.752 123.9 42.0-106.5 -34.9 16.1 13.7 79.4 70 70 A F E < S-C 306 0A 1 -4,-2.4 -1,-0.3 -7,-0.2 2,-0.3 -0.952 83.9-145.8-126.4 108.3 18.3 15.4 82.0 71 71 A S E -C 305 0A 0 234,-3.1 234,-1.8 -2,-0.6 4,-0.4 -0.540 27.2-173.8 -78.2 131.9 20.5 17.9 80.4 72 72 A N S S+ 0 0 1 -2,-0.3 -1,-0.1 232,-0.2 34,-0.1 0.872 91.4 46.3 -77.9 -43.0 24.1 19.0 81.2 73 73 A A S S+ 0 0 27 1,-0.2 -1,-0.1 3,-0.1 4,-0.1 0.752 95.6 67.9 -78.8 -28.3 24.1 21.8 78.8 74 74 A E S S+ 0 0 118 231,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.965 112.4 12.4 -67.2 -47.0 20.7 23.6 79.3 75 75 A G S S- 0 0 8 -4,-0.4 2,-0.5 1,-0.1 230,-0.1 -0.307 107.6 -62.0-110.9-167.1 21.5 25.1 82.7 76 76 A S - 0 0 1 1,-0.2 21,-0.1 -2,-0.1 4,-0.1 -0.638 36.0-153.5 -74.7 124.0 24.7 25.3 84.8 77 77 A E S S+ 0 0 10 -2,-0.5 226,-2.6 19,-0.4 2,-0.4 0.666 80.9 72.8 -70.9 -10.2 26.0 21.9 85.5 78 78 A I S S- 0 0 33 224,-0.2 2,-1.0 1,-0.0 224,-0.1 -0.850 96.6-109.1-106.8 141.1 27.6 23.4 88.7 79 79 A L + 0 0 6 -2,-0.4 2,-0.4 319,-0.2 319,-0.2 -0.619 51.6 158.7 -74.9 102.6 25.5 24.4 91.6 80 80 A Y - 0 0 56 -2,-1.0 -4,-0.1 -4,-0.1 2,-0.1 -0.963 40.9-121.2-121.0 141.3 25.4 28.2 91.8 81 81 A D >> - 0 0 46 -2,-0.4 4,-2.4 -33,-0.1 3,-0.5 -0.390 43.0 -97.7 -67.0 158.9 22.8 30.4 93.5 82 82 A Q H 3> S+ 0 0 82 -35,-1.3 4,-2.6 1,-0.2 5,-0.2 0.893 122.3 56.8 -50.2 -48.6 21.1 32.8 91.1 83 83 A N H 3> S+ 0 0 128 -36,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.894 112.5 40.7 -44.2 -49.1 23.3 35.6 92.0 84 84 A N H <> S+ 0 0 66 -3,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.879 109.5 55.2 -78.5 -37.3 26.3 33.8 91.1 85 85 A E H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.859 108.0 55.4 -65.1 -28.9 25.0 32.1 88.0 86 86 A A H X S+ 0 0 50 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.963 106.4 47.0 -63.9 -55.9 24.2 35.7 86.8 87 87 A F H X S+ 0 0 86 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.906 113.3 51.9 -54.6 -39.6 27.8 36.9 87.3 88 88 A M H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.930 104.9 52.5 -65.4 -45.1 28.9 33.8 85.5 89 89 A R H <>S+ 0 0 88 -4,-2.6 5,-1.8 2,-0.2 4,-0.4 0.817 108.8 53.9 -64.1 -24.7 26.6 34.4 82.5 90 90 A S H ><5S+ 0 0 82 -4,-1.9 3,-2.3 2,-0.2 -2,-0.2 0.993 111.7 41.9 -65.8 -70.6 28.1 37.9 82.3 91 91 A I H 3<5S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.824 120.2 47.5 -34.2 -47.0 31.7 36.5 82.2 92 92 A S T ><5S- 0 0 23 -4,-2.8 3,-0.7 3,-0.2 -1,-0.3 0.282 113.2-108.7 -89.1 2.5 30.5 33.8 79.7 93 93 A G T < 5S- 0 0 65 -3,-2.3 2,-1.4 -4,-0.4 -3,-0.2 0.999 79.3 -41.4 62.8 66.4 28.4 35.8 77.2 94 94 A G T 3 - 0 0 10 -2,-1.6 3,-2.3 143,-0.1 4,-0.4 -0.599 67.9 -89.3 -98.2 169.7 34.3 21.6 78.4 102 102 A L G > S+ 0 0 20 1,-0.3 3,-1.3 -2,-0.2 12,-0.1 0.779 121.3 62.3 -48.0 -31.4 32.7 18.2 78.2 103 103 A T G 3 S+ 0 0 39 1,-0.3 -1,-0.3 -31,-0.0 -3,-0.1 0.677 100.7 51.4 -78.9 -14.8 30.4 18.9 81.2 104 104 A S G < S+ 0 0 10 -3,-2.3 2,-0.4 -5,-0.1 -1,-0.3 0.521 98.3 91.8 -92.6 -2.9 28.7 21.8 79.5 105 105 A M < - 0 0 15 -3,-1.3 -33,-0.1 -4,-0.4 -31,-0.0 -0.821 54.9-162.1-101.9 125.4 27.9 19.6 76.5 106 106 A D > - 0 0 23 -2,-0.4 4,-2.5 1,-0.1 3,-0.4 -0.530 46.6 -60.1 -90.8 155.6 24.8 17.4 75.6 107 107 A P T 4 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 252,-0.0 -0.455 115.5 36.7 -68.8 153.8 25.1 14.7 72.9 108 108 A P T > S+ 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.991 129.4 40.3 -73.8 -17.1 25.7 14.6 69.9 109 109 A T H >> S+ 0 0 66 -3,-0.4 4,-2.7 1,-0.2 3,-0.5 0.979 117.8 49.7 -54.1 -53.6 28.3 17.4 70.6 110 110 A H H 3X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.3 5,-0.3 0.836 108.4 52.6 -55.0 -37.8 29.4 15.8 73.8 111 111 A T H 3> S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.897 111.8 46.6 -71.9 -35.1 29.8 12.4 72.1 112 112 A A H X S+ 0 0 32 -4,-2.7 3,-1.1 2,-0.2 4,-0.6 0.973 117.7 47.3 -68.9 -42.6 34.3 15.9 71.8 114 114 A R H >X S+ 0 0 41 -4,-2.8 4,-2.4 -5,-0.3 3,-0.9 0.879 105.8 62.5 -63.4 -33.3 34.4 13.1 74.4 115 115 A G H 3X S+ 0 0 42 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.3 0.835 88.8 69.1 -58.7 -35.8 35.2 10.8 71.5 116 116 A L H << S+ 0 0 26 -4,-1.1 -1,-0.2 -3,-1.1 -2,-0.2 0.829 118.0 17.2 -57.4 -39.7 38.4 12.6 70.7 117 117 A T H XX S+ 0 0 1 -3,-0.9 3,-1.8 -4,-0.6 4,-1.6 0.613 95.5 102.7-105.4 -19.6 40.2 11.5 73.9 118 118 A L H 3< S+ 0 0 49 -4,-2.4 4,-0.4 1,-0.3 3,-0.3 0.802 84.5 43.5 -38.1 -47.4 38.1 8.5 75.2 119 119 A N T 3< S+ 0 0 116 -4,-0.5 3,-0.5 1,-0.2 6,-0.4 0.765 106.7 59.7 -78.7 -19.4 40.4 5.7 74.0 120 120 A W T <4 S+ 0 0 29 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 107.9 49.7 -69.2 -35.2 43.6 7.4 75.3 121 121 A F S < S+ 0 0 5 -4,-1.6 245,-0.3 -3,-0.3 246,-0.2 0.516 88.7 107.3 -83.0 -3.3 41.9 7.3 78.7 122 122 A Q S >> S- 0 0 68 -3,-0.5 4,-2.1 -4,-0.4 3,-1.4 -0.514 85.9-102.9 -78.2 151.6 41.0 3.5 78.5 123 123 A P H 3> S+ 0 0 71 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.714 117.0 50.6 -42.3 -44.1 43.0 1.0 80.6 124 124 A A H 34 S+ 0 0 77 2,-0.2 4,-0.5 1,-0.2 -4,-0.1 0.870 113.5 45.5 -66.9 -36.3 45.2 -0.4 77.9 125 125 A S H X> S+ 0 0 24 -3,-1.4 3,-1.7 -6,-0.4 4,-0.5 0.958 108.7 55.6 -72.3 -50.6 46.3 3.0 76.8 126 126 A I H >< S+ 0 0 4 -4,-2.1 3,-0.6 1,-0.3 4,-0.4 0.765 93.7 71.6 -56.4 -21.3 46.9 4.3 80.3 127 127 A R G >< S+ 0 0 131 -4,-1.1 3,-1.6 -5,-0.2 -1,-0.3 0.853 83.3 68.7 -68.1 -30.5 49.3 1.3 81.0 128 128 A K G X4 S+ 0 0 142 -3,-1.7 3,-0.6 -4,-0.5 4,-0.3 0.950 95.7 57.7 -52.0 -40.6 52.0 2.9 78.7 129 129 A L G S+ 0 0 42 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.2 0.691 77.9 47.9 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-33.7 56.6 12.1 96.1 141 141 A V H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.952 110.5 51.4 -69.3 -40.3 57.0 9.3 98.6 142 142 A Q H X S+ 0 0 93 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.878 105.9 54.7 -57.3 -46.8 60.6 10.3 99.1 143 143 A R H < S+ 0 0 103 -4,-2.0 3,-0.5 2,-0.2 -1,-0.2 0.921 111.2 43.9 -51.0 -53.2 59.7 13.9 99.8 144 144 A L H >< S+ 0 0 2 -4,-1.7 3,-2.3 1,-0.2 -2,-0.2 0.960 112.2 53.2 -63.0 -47.8 57.2 12.9 102.5 145 145 A L H 3< S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.694 93.8 71.8 -65.0 -19.1 59.8 10.4 104.1 146 146 A D T 3< S+ 0 0 117 -4,-1.5 2,-0.3 -3,-0.5 -1,-0.3 0.539 82.5 87.6 -70.4 -6.4 62.4 13.1 104.2 147 147 A F S < S- 0 0 66 -3,-2.3 2,-2.2 -4,-0.1 4,-0.1 -0.726 92.9-115.7 -85.9 145.8 60.3 14.6 107.1 148 148 A D S S- 0 0 161 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.1 -0.361 76.5 -58.0 -84.7 66.3 61.2 13.3 110.6 149 149 A G S S+ 0 0 15 -2,-2.2 261,-1.6 -5,-0.2 2,-0.3 0.574 118.1 78.7 80.2 11.4 57.8 11.6 111.2 150 150 A E E +E 409 0B 113 259,-0.3 2,-0.3 -6,-0.2 259,-0.2 -0.983 44.1 116.5-151.2 138.5 55.5 14.6 110.9 151 151 A C E -E 408 0B 14 257,-1.6 257,-3.2 -2,-0.3 2,-0.8 -0.958 64.6 -86.8-177.9 172.2 54.0 16.6 108.0 152 152 A D E > -E 407 0B 22 -2,-0.3 4,-2.3 255,-0.3 5,-0.3 -0.920 35.7-149.8 -93.8 111.1 50.7 17.6 106.4 153 153 A F H >>S+ 0 0 1 253,-2.1 5,-2.2 -2,-0.8 4,-0.5 0.822 91.9 45.7 -52.1 -33.2 50.1 14.7 104.0 154 154 A M H >4>S+ 0 0 7 252,-0.5 5,-2.8 3,-0.2 3,-1.8 0.977 118.7 33.3 -73.3 -73.7 48.2 17.0 101.7 155 155 A T H 345S+ 0 0 55 249,-0.3 -2,-0.2 1,-0.3 -1,-0.1 0.638 125.6 43.5 -64.8 -17.2 50.3 20.2 101.4 156 156 A D H 3<5S- 0 0 39 -4,-2.3 -1,-0.3 3,-0.0 -3,-0.2 0.509 137.5 -9.1 -99.5 -6.4 53.7 18.3 101.7 157 157 A C T XX5S+ 0 0 0 -3,-1.8 3,-1.6 -4,-0.5 4,-1.4 0.274 122.9 51.7-150.1 -77.3 52.8 15.4 99.4 158 158 A A T 34 S+ 0 0 43 -3,-1.6 4,-2.7 -6,-0.4 3,-0.2 0.859 103.6 71.6 -93.0 -38.9 51.7 17.8 93.9 161 161 A Y H X S+ 0 0 1 -4,-1.4 4,-1.5 1,-0.2 3,-0.2 0.933 102.4 42.1 -49.3 -58.8 51.5 14.0 93.0 162 162 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.811 114.2 52.6 -62.2 -29.1 48.2 14.2 91.0 163 163 A L H > S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.2 -2,-0.2 0.923 107.2 52.0 -73.6 -38.2 49.2 17.5 89.3 164 164 A H H X S+ 0 0 48 -4,-2.7 4,-2.2 -3,-0.2 -1,-0.2 0.885 111.0 48.3 -64.7 -32.6 52.5 15.9 88.1 165 165 A V H X S+ 0 0 2 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.937 112.5 46.1 -73.0 -48.1 50.7 13.0 86.6 166 166 A V H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 6,-0.2 0.900 110.8 54.9 -67.3 -30.3 48.1 15.1 84.8 167 167 A M H X>S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 5,-1.8 0.979 110.6 46.2 -64.9 -50.9 51.0 17.4 83.5 168 168 A T H <5S+ 0 0 50 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 111.1 51.4 -54.8 -43.9 52.7 14.3 82.1 169 169 A A H <5S+ 0 0 3 -4,-2.5 54,-2.6 1,-0.2 55,-0.3 0.962 116.4 41.0 -65.2 -41.7 49.5 13.0 80.5 170 170 A L H <5S- 0 0 0 -4,-2.7 54,-2.0 52,-0.2 55,-0.3 0.901 113.2-116.3 -68.8 -38.0 49.0 16.5 78.8 171 171 A G T <5 + 0 0 17 -4,-2.9 -3,-0.2 1,-0.3 -4,-0.1 0.501 59.7 152.4 106.3 15.8 52.7 17.0 77.9 172 172 A V < - 0 0 8 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.636 49.4-105.1 -78.2 131.0 53.3 20.1 80.1 173 173 A P > - 0 0 55 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.185 18.2-121.4 -56.4 144.9 57.0 20.6 81.2 174 174 A E G > S+ 0 0 176 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 0.847 110.7 63.1 -53.2 -39.6 58.1 19.8 84.8 175 175 A D G 3 S+ 0 0 141 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.445 90.1 66.5 -64.0 -10.8 59.2 23.4 85.1 176 176 A D G X> + 0 0 45 -3,-2.3 4,-1.9 1,-0.2 3,-0.9 0.359 60.5 113.8-101.3 16.2 55.8 24.9 84.6 177 177 A E H <> S+ 0 0 41 -3,-1.3 4,-2.7 1,-0.3 5,-0.3 0.847 70.9 61.5 -48.5 -38.8 54.4 23.6 87.8 178 178 A P H 3> S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.931 107.5 43.0 -55.7 -45.2 54.1 27.2 89.1 179 179 A L H <> S+ 0 0 55 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.822 113.8 50.0 -76.3 -29.6 51.6 28.1 86.4 180 180 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.869 111.1 49.1 -73.4 -38.0 49.6 24.9 86.6 181 181 A L H X>S+ 0 0 33 -4,-2.7 4,-2.8 -5,-0.3 5,-1.0 0.912 109.5 53.4 -67.8 -37.4 49.3 25.3 90.4 182 182 A K H X>S+ 0 0 95 -4,-2.0 5,-2.7 -5,-0.3 4,-0.6 0.936 110.9 48.0 -60.4 -46.3 48.2 28.9 89.6 183 183 A L H <>S+ 0 0 0 -4,-2.2 5,-2.3 3,-0.2 -2,-0.2 0.947 123.2 29.1 -57.2 -52.8 45.5 27.5 87.2 184 184 A T H <5S+ 0 0 4 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.898 131.7 32.3 -85.3 -37.0 44.0 24.8 89.5 185 185 A Q H <5S+ 0 0 46 -4,-2.8 -3,-0.2 -5,-0.3 5,-0.2 0.933 130.4 23.5 -87.5 -46.3 44.7 26.4 92.9 186 186 A D T >< 0 0 96 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 155.3 35.8 44.6 88.1 193 208 A A H > + 0 0 61 2,-0.2 4,-3.0 1,-0.2 3,-0.2 0.958 360.0 53.9 -72.6 -48.4 36.0 40.8 88.5 194 209 A A H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.760 105.8 55.8 -54.9 -26.8 34.8 40.2 84.9 195 210 A R H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.959 114.0 38.3 -71.2 -46.3 37.6 42.5 83.7 196 211 A R H X S+ 0 0 123 -4,-1.6 4,-2.0 -3,-0.2 -2,-0.2 0.840 112.2 57.7 -80.6 -23.5 40.2 40.4 85.4 197 212 A F H X S+ 0 0 30 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.983 107.1 49.0 -56.4 -60.9 38.5 37.0 84.6 198 213 A H H X S+ 0 0 91 -4,-1.7 4,-1.3 1,-0.3 -2,-0.2 0.811 113.8 42.5 -54.7 -42.1 38.6 37.7 80.9 199 214 A E H X S+ 0 0 74 -4,-1.5 4,-1.8 2,-0.2 -1,-0.3 0.837 112.1 55.2 -82.2 -23.3 42.2 38.7 80.7 200 215 A T H X S+ 0 0 35 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.911 108.8 46.6 -68.6 -41.8 43.4 35.9 83.0 201 216 A I H X S+ 0 0 19 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.918 109.6 57.4 -66.2 -35.5 41.8 33.1 80.9 202 217 A A H X S+ 0 0 40 -4,-1.3 4,-2.5 -5,-0.3 5,-0.2 0.930 104.7 50.5 -56.1 -46.2 43.4 34.9 77.9 203 218 A T H X S+ 0 0 94 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.898 112.1 45.8 -63.0 -41.2 46.8 34.5 79.3 204 219 A F H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.926 111.6 53.2 -66.3 -40.3 46.3 30.8 80.0 205 220 A Y H X S+ 0 0 44 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.905 107.2 50.5 -63.3 -36.7 44.9 30.3 76.5 206 221 A D H X S+ 0 0 127 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.876 110.7 51.8 -66.0 -35.2 48.0 32.0 74.9 207 222 A Y H >< S+ 0 0 48 -4,-1.5 3,-0.5 -5,-0.2 4,-0.5 0.923 113.4 40.9 -63.9 -49.9 50.1 29.6 77.0 208 223 A F H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-1.7 0.898 105.9 66.3 -69.1 -35.6 48.3 26.4 75.9 209 224 A N H 3X S+ 0 0 38 -4,-2.7 4,-1.8 1,-0.3 5,-0.2 0.811 93.7 59.6 -53.4 -29.5 48.1 27.7 72.4 210 225 A G H S+ 0 0 25 -3,-1.7 4,-2.7 -4,-0.5 5,-0.2 0.904 107.2 54.2 -78.1 -46.0 51.7 23.8 72.8 212 227 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 112.6 44.6 -49.5 -46.9 48.9 23.1 70.2 213 228 A V H < S+ 0 0 84 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.915 114.1 50.1 -66.1 -43.4 51.1 24.8 67.5 214 229 A D H >X S+ 0 0 62 -4,-1.1 4,-2.9 -5,-0.2 3,-1.2 0.900 108.9 49.4 -64.3 -40.8 54.1 22.9 68.7 215 230 A R H 3< S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.845 102.5 64.4 -73.6 -31.5 52.3 19.5 68.7 216 231 A R T 3< S+ 0 0 65 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.586 118.3 23.9 -62.1 -16.3 51.1 20.2 65.2 217 232 A S T <4 S+ 0 0 97 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.598 135.2 34.9-115.5 -28.7 54.7 20.2 63.8 218 233 A C S < S- 0 0 73 -4,-2.9 2,-0.2 -5,-0.2 -1,-0.1 -0.778 82.0-165.5-130.9 82.0 56.4 18.1 66.6 219 234 A P + 0 0 90 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.490 10.4 176.3 -75.9 140.3 53.9 15.4 67.7 220 235 A K - 0 0 109 -2,-0.2 2,-1.1 2,-0.1 6,-0.0 -0.778 44.0 -96.0-129.6 171.7 54.4 13.4 70.9 221 236 A D S S+ 0 0 123 -2,-0.2 2,-0.3 4,-0.1 3,-0.1 -0.818 83.8 103.8 -95.6 100.5 52.1 10.7 72.5 222 237 A D S > S- 0 0 10 -2,-1.1 4,-2.3 1,-0.1 -52,-0.2 -0.955 85.3 -95.6-163.3 168.9 50.3 12.9 74.9 223 238 A V H > S+ 0 0 0 -54,-2.6 4,-2.7 -2,-0.3 5,-0.2 0.871 119.4 55.3 -68.4 -32.1 46.9 14.5 75.2 224 239 A M H > S+ 0 0 0 -54,-2.0 4,-2.3 -55,-0.3 -1,-0.2 0.950 111.5 44.6 -63.2 -44.0 48.0 17.9 73.8 225 240 A S H > S+ 0 0 3 -55,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.897 112.4 52.2 -64.2 -44.2 49.4 16.2 70.7 226 241 A L H X S+ 0 0 54 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.960 117.2 37.8 -58.5 -55.0 46.3 14.0 70.3 227 242 A L H < S+ 0 0 0 -4,-2.7 10,-0.4 2,-0.2 -1,-0.2 0.772 114.0 55.5 -72.6 -24.5 43.9 17.0 70.5 228 243 A A H < S+ 0 0 0 -4,-2.3 9,-0.2 -5,-0.2 -2,-0.2 0.988 115.2 39.3 -68.4 -51.1 46.1 19.4 68.5 229 244 A N H < S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.469 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