==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUN-10 3NC5 . COMPND 2 MOLECULE: CYTOCHROME P450 CYPX; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.J.CRYLE,I.SCHLICHTING . 757 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 0.3 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 . 1 0.1 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 . 33 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 0 5 1 2 0 4 0 3 1 2 1 0 3 0 2 0 0 0 0 0 0 0 0 2 1 0 1 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 6 5 0 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 . 3 2 0 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 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 6 A K 0 0 152 0, 0.0 28,-0.2 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 -72.3 4.7 -3.8 -7.8 2 7 A L + 0 0 172 2,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.011 360.0 107.0-105.8 18.3 3.3 -3.3 -11.3 3 8 A F - 0 0 58 2,-0.0 2,-0.4 4,-0.0 0, 0.0 -0.373 67.2-131.6 -81.8 168.1 6.9 -2.4 -12.0 4 9 A S > - 0 0 43 -2,-0.1 3,-0.7 26,-0.1 6,-0.4 -0.994 11.8-153.6-134.5 140.1 9.3 -4.7 -14.0 5 10 A V T 3 S+ 0 0 3 -2,-0.4 25,-0.1 1,-0.2 -1,-0.0 0.181 97.1 56.1 -95.6 15.5 12.8 -6.0 -13.3 6 11 A L T 3 S+ 0 0 25 4,-0.0 -1,-0.2 146,-0.0 146,-0.1 0.355 85.5 114.2-116.9 -6.0 13.6 -6.5 -17.0 7 12 A S S <> S- 0 0 28 -3,-0.7 4,-2.8 1,-0.1 5,-0.2 -0.180 81.1-115.9 -67.4 157.3 12.8 -2.9 -17.9 8 13 A D H > S+ 0 0 137 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.770 118.2 60.4 -56.3 -29.3 15.3 -0.2 -19.1 9 14 A Q H > S+ 0 0 107 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.924 110.1 36.8 -67.2 -49.7 14.4 1.5 -15.9 10 15 A F H >4 S+ 0 0 7 -6,-0.4 3,-0.8 1,-0.2 -2,-0.2 0.936 112.2 58.9 -67.6 -48.5 15.6 -1.3 -13.6 11 16 A Q H 3< S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.750 101.2 58.6 -55.0 -26.7 18.5 -2.2 -15.9 12 17 A N H 3< S- 0 0 120 -4,-1.0 358,-0.3 1,-0.2 -1,-0.3 0.890 131.6 -3.5 -71.2 -42.5 19.8 1.4 -15.4 13 18 A N X< + 0 0 71 -4,-0.9 3,-1.5 -3,-0.8 -1,-0.2 -0.549 62.1 175.8-154.9 82.6 20.1 1.1 -11.6 14 19 A P G >> S+ 0 0 1 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.792 80.5 64.0 -58.6 -31.2 18.9 -2.2 -10.0 15 20 A Y G 34 S+ 0 0 27 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.687 88.3 69.3 -68.9 -18.5 20.0 -1.1 -6.5 16 21 A A G <4 S+ 0 0 61 -3,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.562 108.0 36.2 -76.4 -6.2 17.5 1.8 -6.5 17 22 A Y T <> S+ 0 0 57 -3,-1.4 4,-1.6 -4,-0.2 -1,-0.2 0.454 87.7 92.1-127.0 -8.6 14.6 -0.7 -6.3 18 23 A F H X S+ 0 0 2 -4,-0.5 4,-2.3 -3,-0.3 5,-0.3 0.894 86.0 52.1 -61.0 -43.6 15.8 -3.6 -4.0 19 24 A S H > S+ 0 0 46 -4,-0.4 4,-2.1 1,-0.2 5,-0.2 0.972 111.6 45.8 -58.1 -57.1 14.5 -2.1 -0.8 20 25 A Q H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.829 111.6 57.1 -48.8 -36.9 11.0 -1.6 -2.1 21 26 A L H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.946 112.0 34.9 -71.3 -52.0 11.2 -5.1 -3.6 22 27 A R H < S+ 0 0 15 -4,-2.3 -1,-0.2 17,-0.2 -2,-0.2 0.708 119.3 55.3 -76.2 -17.0 12.0 -7.1 -0.4 23 28 A E H < S+ 0 0 133 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.818 129.4 4.7 -82.4 -34.3 9.7 -4.8 1.6 24 29 A E H < S+ 0 0 93 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.480 138.3 26.9-134.4 -2.8 6.5 -5.1 -0.4 25 30 A D >< + 0 0 36 -4,-1.9 3,-0.6 -5,-0.4 14,-0.1 -0.250 58.1 160.4-152.6 61.4 6.9 -7.7 -3.2 26 31 A P T 3 S+ 0 0 22 0, 0.0 13,-1.2 0, 0.0 14,-0.5 0.576 82.0 46.4 -65.5 -11.1 9.5 -10.2 -2.1 27 32 A V E 3 S-A 38 0A 4 11,-0.2 2,-0.4 -6,-0.1 11,-0.2 -0.609 86.8-172.7-126.3 68.5 8.1 -12.7 -4.6 28 33 A H E < -A 37 0A 1 9,-2.1 9,-3.7 -3,-0.6 2,-0.2 -0.496 10.7-147.0 -73.9 120.1 7.9 -10.4 -7.7 29 34 A Y E -A 36 0A 99 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.597 7.2-150.2 -83.9 144.3 6.1 -11.9 -10.7 30 35 A E - 0 0 5 5,-1.6 5,-0.4 -2,-0.2 -26,-0.1 -0.846 9.0-146.0-112.3 153.3 7.2 -11.0 -14.2 31 36 A E S S+ 0 0 135 -2,-0.3 -1,-0.1 3,-0.1 3,-0.1 0.933 92.7 56.8 -80.7 -48.3 4.9 -10.9 -17.3 32 37 A S S S+ 0 0 97 1,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.932 116.5 29.2 -50.5 -70.0 7.3 -12.0 -20.1 33 38 A I S S- 0 0 28 2,-0.1 2,-0.3 253,-0.0 -1,-0.1 -0.855 79.2-121.5 -93.4 150.3 8.1 -15.2 -18.3 34 39 A D S S+ 0 0 106 -2,-0.4 252,-0.8 -5,-0.1 2,-0.3 -0.813 74.7 115.6 73.5 11.5 6.6 -17.1 -16.3 35 40 A S E - b 0 286A 5 -5,-0.4 -5,-1.6 -2,-0.3 2,-0.4 -0.977 54.9-132.2-145.1 153.5 9.2 -16.7 -13.6 36 41 A Y E -Ab 29 287A 49 250,-1.5 252,-3.5 -2,-0.3 2,-0.5 -0.892 13.0-142.5-111.3 139.7 9.3 -15.2 -10.1 37 42 A F E -Ab 28 288A 2 -9,-3.7 -9,-2.1 -2,-0.4 2,-0.6 -0.899 14.5-156.5-108.6 122.8 12.0 -12.8 -8.8 38 43 A I E +Ab 27 289A 0 250,-2.5 252,-2.0 -2,-0.5 -11,-0.2 -0.863 19.7 168.5-114.9 117.7 13.0 -13.3 -5.2 39 44 A S + 0 0 0 -13,-1.2 2,-0.6 -2,-0.6 -17,-0.2 0.611 43.7 98.0-106.1 -18.8 14.6 -10.4 -3.2 40 45 A R >> - 0 0 85 -14,-0.5 4,-2.8 1,-0.1 3,-0.6 -0.680 66.3-138.8 -86.7 120.4 14.7 -11.4 0.5 41 46 A Y H 3> S+ 0 0 23 -2,-0.6 4,-3.8 252,-0.3 5,-0.2 0.840 103.1 51.3 -38.1 -54.8 18.1 -12.7 1.6 42 47 A H H 3> S+ 0 0 143 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.908 113.0 44.6 -52.2 -50.1 16.5 -15.5 3.7 43 48 A D H <> S+ 0 0 19 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.920 115.8 48.3 -63.5 -43.8 14.3 -16.7 0.8 44 49 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 5,-0.2 0.961 112.9 46.4 -60.3 -53.4 17.3 -16.5 -1.6 45 50 A R H X S+ 0 0 64 -4,-3.8 4,-2.2 1,-0.2 -2,-0.2 0.912 109.6 55.4 -57.4 -45.0 19.7 -18.3 0.8 46 51 A Y H X S+ 0 0 90 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.899 108.0 49.5 -51.6 -47.4 17.0 -21.0 1.4 47 52 A I H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 7,-0.3 0.922 111.5 45.7 -60.3 -52.1 16.7 -21.7 -2.3 48 53 A L H 3< S+ 0 0 3 -4,-1.9 286,-0.2 1,-0.3 -1,-0.2 0.860 110.4 55.2 -60.9 -38.9 20.4 -22.1 -3.1 49 54 A Q H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.642 104.5 57.8 -70.0 -16.0 20.9 -24.3 -0.0 50 55 A H XX + 0 0 71 -3,-1.1 4,-3.1 -4,-0.6 3,-0.7 -0.632 54.0 157.8-123.5 75.3 18.2 -26.7 -1.2 51 56 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.751 72.3 65.8 -72.6 -27.4 19.0 -28.1 -4.7 52 57 A D T 34 S+ 0 0 136 1,-0.2 3,-0.2 3,-0.1 -2,-0.1 0.856 117.2 28.8 -58.6 -36.1 16.8 -31.2 -4.3 53 58 A I T <4 S+ 0 0 28 -3,-0.7 218,-1.4 1,-0.2 2,-0.7 0.835 128.2 43.6 -90.0 -41.4 13.9 -28.8 -4.2 54 59 A F E < S-C 270 0A 0 -4,-3.1 -1,-0.2 -7,-0.3 216,-0.2 -0.813 83.6-166.7-113.1 92.5 15.4 -26.0 -6.4 55 60 A T E -C 269 0A 55 214,-2.4 214,-2.9 -2,-0.7 2,-0.2 -0.367 11.4-178.3 -83.6 153.1 17.1 -27.7 -9.3 56 61 A T - 0 0 64 212,-0.2 2,-0.2 -2,-0.1 212,-0.1 -0.689 39.4 -70.7-131.2-175.0 19.6 -26.2 -11.9 57 62 A K - 0 0 120 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.528 49.6-105.2 -86.2 153.8 21.3 -27.7 -14.9 58 63 A S > - 0 0 41 -2,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.325 27.4-113.9 -71.0 157.8 24.1 -30.3 -14.8 59 64 A L T 3 S+ 0 0 36 1,-0.3 153,-0.2 -2,-0.1 154,-0.1 0.773 116.2 50.0 -64.5 -30.0 27.7 -29.3 -15.5 60 65 A V T 3 S+ 0 0 18 152,-0.1 2,-0.3 151,-0.1 -1,-0.3 0.349 90.6 95.7 -95.6 6.4 27.7 -31.4 -18.6 61 66 A E S < S- 0 0 120 -3,-1.6 -4,-0.0 1,-0.1 151,-0.0 -0.768 76.0-108.0 -97.6 147.9 24.6 -29.9 -20.1 62 67 A R - 0 0 88 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.243 33.8 -77.2 -70.1 178.9 24.8 -27.0 -22.6 63 68 A A + 0 0 19 145,-0.0 -1,-0.2 3,-0.0 83,-0.0 -0.564 47.8 172.9 -70.0 141.0 24.1 -23.3 -22.7 64 69 A E - 0 0 106 -2,-0.2 3,-0.1 85,-0.0 2,-0.0 -0.956 47.0 -79.0-146.2 156.3 20.5 -22.1 -23.1 65 70 A P - 0 0 26 0, 0.0 84,-0.2 0, 0.0 85,-0.2 -0.407 38.6-154.3 -59.5 134.8 18.9 -18.7 -22.9 66 71 A V S S+ 0 0 27 83,-2.1 84,-0.1 85,-0.1 86,-0.1 0.973 89.4 34.3 -73.6 -55.7 18.7 -17.9 -19.2 67 72 A M 0 0 8 82,-0.5 85,-0.1 84,-0.3 83,-0.1 0.980 360.0 360.0 -67.4 -61.1 15.7 -15.4 -19.5 68 73 A R 0 0 189 83,-0.4 84,-0.1 84,-0.1 -2,-0.1 0.972 360.0 360.0 -73.4 360.0 13.8 -17.1 -22.3 69 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 70 86 A S 0 0 115 0, 0.0 -12,-0.0 0, 0.0 -13,-0.0 0.000 360.0 360.0 360.0-178.1 23.8 -34.2 -10.7 71 87 A A - 0 0 78 128,-0.0 -13,-0.0 0, 0.0 0, 0.0 0.187 360.0-100.6-128.4 9.0 26.2 -37.1 -10.0 72 88 A K S > S+ 0 0 67 3,-0.0 4,-0.5 1,-0.0 3,-0.1 0.937 71.1 143.1 68.3 57.3 28.7 -34.9 -8.1 73 89 A R H > + 0 0 49 2,-0.2 4,-4.2 1,-0.1 5,-0.4 0.540 59.3 89.5 -81.3 -15.5 31.6 -34.1 -10.4 74 90 A R H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 90.7 42.0 -49.2 -52.2 31.5 -30.7 -8.6 75 91 A I H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.961 116.2 48.7 -53.4 -58.4 33.9 -32.1 -6.0 76 92 A V H X S+ 0 0 26 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.885 116.0 43.1 -53.2 -46.6 36.0 -33.9 -8.6 77 93 A V H X S+ 0 0 5 -4,-4.2 4,-2.8 2,-0.2 5,-0.3 0.896 112.6 53.6 -65.4 -42.0 36.2 -30.7 -10.8 78 94 A R H X S+ 0 0 72 -4,-2.9 4,-0.9 -5,-0.4 -2,-0.2 0.828 107.7 51.0 -63.4 -35.4 36.8 -28.5 -7.7 79 95 A S H X S+ 0 0 58 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.869 111.0 49.4 -66.5 -39.5 39.7 -30.7 -6.8 80 96 A F H X S+ 0 0 13 -4,-1.5 4,-1.9 2,-0.3 3,-0.5 0.983 110.4 46.6 -66.2 -58.1 41.1 -30.4 -10.3 81 97 A I H X S+ 0 0 14 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.804 114.0 56.1 -47.1 -30.1 40.8 -26.6 -10.4 82 98 A G H < S+ 0 0 28 -4,-0.9 4,-0.4 -5,-0.3 -2,-0.3 0.868 105.7 44.1 -76.0 -42.2 42.4 -27.0 -7.0 83 99 A D H < S+ 0 0 118 -4,-2.1 4,-0.3 -3,-0.5 3,-0.3 0.751 113.2 60.1 -68.8 -22.9 45.5 -28.9 -8.0 84 100 A A H >X S+ 0 0 12 -4,-1.9 3,-1.8 -5,-0.2 4,-1.2 0.885 84.7 68.3 -74.8 -43.9 45.8 -26.5 -10.9 85 101 A L H 3X S+ 0 0 26 -4,-1.2 4,-1.8 1,-0.3 -1,-0.2 0.718 90.7 62.5 -62.2 -25.7 46.2 -23.0 -9.4 86 102 A D H 34 S+ 0 0 117 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.762 111.8 36.8 -73.9 -26.9 49.7 -23.6 -7.9 87 103 A H H <4 S+ 0 0 94 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.575 117.6 54.5 -93.8 -13.3 51.3 -24.1 -11.4 88 104 A L H >X S+ 0 0 2 -4,-1.2 4,-2.2 1,-0.1 3,-1.5 0.715 85.8 81.5 -90.0 -23.6 49.0 -21.5 -12.9 89 105 A S H 3X S+ 0 0 25 -4,-1.8 4,-2.0 1,-0.3 -1,-0.1 0.848 90.4 50.4 -54.3 -41.3 49.9 -18.7 -10.6 90 106 A P H 3> S+ 0 0 66 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.705 112.4 51.1 -70.6 -15.3 53.1 -17.7 -12.4 91 107 A L H <> S+ 0 0 45 -3,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.817 105.0 51.7 -88.2 -35.8 51.0 -17.7 -15.6 92 108 A I H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -3,-0.1 0.935 112.4 51.6 -58.6 -44.6 48.3 -15.4 -14.2 93 109 A K H X S+ 0 0 83 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.882 109.0 46.2 -56.7 -49.8 51.2 -13.2 -13.2 94 110 A Q H X S+ 0 0 83 -4,-1.4 4,-3.5 2,-0.2 5,-0.3 0.978 112.0 53.4 -60.9 -53.9 52.9 -13.1 -16.7 95 111 A N H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.936 110.8 45.2 -40.0 -63.8 49.4 -12.4 -18.3 96 112 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.957 117.8 43.5 -46.2 -62.6 48.8 -9.5 -16.0 97 113 A E H X S+ 0 0 74 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.822 115.1 49.6 -52.7 -41.8 52.4 -8.1 -16.6 98 114 A N H < S+ 0 0 108 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 111.9 45.9 -69.4 -39.6 52.3 -8.7 -20.4 99 115 A L H < S+ 0 0 37 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.727 112.0 50.5 -80.9 -23.1 49.0 -7.1 -21.1 100 116 A L H >X S+ 0 0 4 -4,-1.7 3,-2.3 -5,-0.3 4,-1.2 0.724 90.9 83.0 -81.6 -20.5 49.6 -4.0 -19.0 101 117 A A T 3< S+ 0 0 63 -4,-0.8 4,-0.4 1,-0.3 -1,-0.2 0.758 83.0 56.0 -62.8 -31.7 53.0 -3.4 -20.7 102 118 A P T 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.508 112.7 44.8 -76.2 0.5 51.6 -1.6 -23.8 103 119 A Y T X>>S+ 0 0 45 -3,-2.3 4,-1.8 2,-0.1 5,-0.8 0.673 84.9 82.9-115.0 -23.1 49.9 0.9 -21.6 104 120 A L T 3<5S+ 0 0 66 -4,-1.2 -3,-0.1 1,-0.2 281,-0.1 0.860 90.0 58.2 -50.6 -41.7 52.4 2.0 -18.9 105 121 A E T 345S+ 0 0 185 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.905 107.9 44.4 -54.9 -47.5 54.0 4.5 -21.3 106 122 A R T <45S- 0 0 166 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.860 96.2-137.7 -68.4 -37.6 50.8 6.4 -21.8 107 123 A G T <5S+ 0 0 11 -4,-1.8 278,-2.0 1,-0.2 2,-0.3 0.833 73.9 92.5 76.0 37.3 49.8 6.5 -18.1 108 124 A K E < +E 384 0B 100 -5,-0.8 2,-0.3 276,-0.3 -1,-0.2 -0.937 44.8 158.5-165.5 128.4 46.2 5.7 -19.2 109 125 A S E -E 383 0B 3 274,-1.8 274,-2.4 -2,-0.3 2,-0.6 -0.956 39.6-127.2-146.3 165.9 44.1 2.5 -19.7 110 126 A D E >> -E 382 0B 17 -2,-0.3 4,-1.9 272,-0.2 5,-0.8 -0.958 23.8-162.5-111.4 104.9 40.6 1.3 -19.8 111 127 A L I 4>S+ 0 0 3 270,-2.5 5,-2.7 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0.738 108.9 55.3 -63.8 -21.8 40.2 -31.8 -32.2 176 192 A V H > S+ 0 0 29 -3,-0.4 4,-2.5 -4,-0.3 5,-0.2 0.902 103.0 52.9 -74.5 -45.7 41.9 -30.9 -28.8 177 193 A I H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.873 111.1 48.6 -54.8 -39.9 39.8 -33.4 -26.8 178 194 A K H X S+ 0 0 106 -4,-1.6 4,-0.8 2,-0.2 3,-0.5 0.951 111.0 49.9 -65.7 -49.7 40.9 -36.1 -29.3 179 195 A E H X S+ 0 0 121 -4,-1.7 4,-1.9 1,-0.2 3,-0.4 0.885 117.2 40.2 -49.2 -46.5 44.6 -35.0 -29.0 180 196 A R H < S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.540 98.1 73.1 -94.3 -8.8 44.5 -35.1 -25.2 181 197 A R H < S+ 0 0 80 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.818 119.7 19.9 -65.5 -31.2 42.4 -38.2 -24.8 182 198 A V H < S+ 0 0 125 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.627 136.2 36.9-115.6 -24.3 45.5 -40.1 -25.9 183 199 A N S < S+ 0 0 109 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.661 81.6 176.6-125.0 77.9 48.3 -37.6 -25.2 184 200 A P - 0 0 57 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.288 7.8-178.9 -78.9 166.0 47.2 -35.8 -22.0 185 201 A G - 0 0 49 2,-0.2 -56,-0.0 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-2,-0.2 0.940 110.1 50.6 -62.4 -48.4 30.0 -34.1 -22.6 206 223 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.954 109.3 51.5 -58.0 -50.8 33.6 -32.9 -22.1 207 224 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.940 111.9 47.2 -46.2 -53.9 33.1 -30.2 -24.8 208 225 A A H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.920 111.4 51.8 -57.2 -46.1 29.9 -29.1 -23.0 209 226 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 3,-0.3 0.948 112.3 42.6 -56.2 -56.3 31.6 -29.1 -19.6 210 227 A I H X S+ 0 0 0 -4,-2.6 4,-3.7 1,-0.2 -1,-0.2 0.845 109.4 59.5 -63.9 -32.6 34.6 -26.9 -20.7 211 228 A L H X S+ 0 0 10 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.908 109.1 44.7 -56.6 -43.8 32.2 -24.7 -22.6 212 229 A N H X S+ 0 0 39 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.886 112.3 50.5 -67.6 -41.9 30.5 -24.1 -19.3 213 230 A V H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.931 108.7 53.8 -59.6 -44.8 33.9 -23.6 -17.6 214 231 A L H < S+ 0 0 9 -4,-3.7 4,-0.5 1,-0.2 -2,-0.2 0.926 113.8 40.5 -54.3 -49.8 34.7 -21.1 -20.3 215 232 A L H X S+ 0 0 28 -4,-2.0 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