==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-13 4L0E . COMPND 2 MOLECULE: P450 MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR M.J.CRYLE . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 0 1 1 1 3 2 1 1 0 1 0 1 0 1 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 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 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 -21 A G 0 0 124 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.9 47.0 -28.7 42.1 2 -20 A S + 0 0 125 1,-0.4 2,-0.4 0, 0.0 0, 0.0 0.807 360.0 28.1-107.9 -54.8 44.5 -25.9 41.2 3 -19 A S S S- 0 0 90 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.951 79.2-137.2-115.4 135.3 45.3 -25.0 37.6 4 -18 A H - 0 0 165 -2,-0.4 2,-0.3 -3,-0.1 0, 0.0 -0.636 17.3-171.5 -99.8 147.3 46.7 -27.5 35.1 5 -17 A H - 0 0 146 -2,-0.3 2,-0.2 0, 0.0 0, 0.0 -0.833 27.9-102.2-126.8 164.0 49.5 -27.1 32.5 6 -16 A H - 0 0 168 -2,-0.3 2,-0.4 1,-0.0 0, 0.0 -0.556 30.0-134.6 -81.7 153.6 51.0 -29.1 29.6 7 -15 A H + 0 0 180 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.950 37.6 150.6-114.4 131.6 54.3 -30.9 30.1 8 -14 A H - 0 0 89 -2,-0.4 3,-0.3 5,-0.0 -1,-0.1 0.822 22.1-169.2-124.2 -58.3 56.8 -30.6 27.3 9 -13 A H S S- 0 0 176 1,-0.2 2,-0.7 3,-0.0 0, 0.0 -0.347 78.8 -25.4 60.1-159.5 60.6 -30.7 27.6 10 -12 A S S S+ 0 0 109 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.158 134.0 13.5 -73.4 24.7 62.5 -29.7 24.4 11 -11 A S + 0 0 78 -2,-0.7 0, 0.0 -3,-0.3 0, 0.0 -0.905 57.6 121.1-167.4-172.6 59.6 -30.7 22.2 12 -10 A G + 0 0 45 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.642 29.3 155.5 112.4 21.3 55.9 -31.6 22.1 13 -9 A L - 0 0 130 -5,-0.0 -1,-0.2 1,-0.0 -5,-0.0 -0.692 27.1-156.0 -83.7 115.1 54.1 -29.1 19.8 14 -8 A V - 0 0 131 -2,-0.7 2,-0.3 1,-0.1 -1,-0.0 -0.637 23.4-104.3 -90.0 144.8 50.9 -30.6 18.4 15 -7 A P - 0 0 90 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.534 29.5-169.9 -66.2 129.2 49.2 -29.4 15.2 16 -6 A R + 0 0 158 3,-0.3 2,-0.1 -2,-0.3 4,-0.1 0.924 67.0 0.6 -84.3 -54.8 46.1 -27.4 16.0 17 -5 A G S S- 0 0 35 2,-0.6 389,-0.0 4,-0.1 0, 0.0 -0.265 101.5 -66.7-114.8-156.9 44.6 -27.1 12.5 18 -4 A S S S+ 0 0 121 -2,-0.1 2,-0.2 -3,-0.0 0, 0.0 0.724 117.6 66.9 -70.1 -23.5 45.4 -28.3 9.0 19 -3 A H S S- 0 0 24 1,-0.1 -2,-0.6 2,-0.0 -3,-0.3 -0.485 71.7-148.1 -89.7 166.6 48.5 -26.1 9.0 20 -2 A S + 0 0 83 -2,-0.2 -1,-0.1 -5,-0.1 -2,-0.0 -0.067 47.1 143.0-124.4 31.3 51.5 -26.4 11.3 21 -1 A G + 0 0 15 386,-0.1 -5,-0.2 1,-0.1 -4,-0.1 -0.273 29.1 177.9 -74.2 157.3 52.4 -22.7 11.6 22 0 A H + 0 0 151 1,-0.1 2,-0.4 384,-0.1 -1,-0.1 0.480 59.8 69.0-130.5 -16.9 53.7 -21.0 14.7 23 1 A M - 0 0 110 1,-0.1 -1,-0.1 385,-0.1 3,-0.1 -0.888 58.4-150.5-120.5 141.0 54.2 -17.4 13.6 24 2 A T S S+ 0 0 79 -2,-0.4 2,-0.3 383,-0.2 -1,-0.1 0.863 89.4 3.4 -68.0 -40.6 51.9 -14.5 12.7 25 3 A A - 0 0 60 382,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.914 67.5-139.0-141.5 167.0 54.6 -13.1 10.3 26 4 A H - 0 0 99 -2,-0.3 2,-0.6 -3,-0.1 0, 0.0 -0.996 20.0-123.2-132.5 137.9 58.1 -13.9 9.0 27 5 A T - 0 0 144 -2,-0.4 22,-0.0 22,-0.0 -2,-0.0 -0.712 32.1-156.8 -77.9 117.9 61.1 -11.7 8.5 28 6 A L - 0 0 55 -2,-0.6 20,-0.2 1,-0.1 19,-0.1 -0.790 21.6-104.8 -99.3 140.1 62.1 -12.1 4.8 29 7 A P - 0 0 84 0, 0.0 20,-2.3 0, 0.0 -1,-0.1 -0.304 25.2-133.0 -61.9 144.8 65.6 -11.4 3.6 30 8 A I - 0 0 83 18,-0.2 20,-0.1 20,-0.1 18,-0.1 -0.882 26.3-144.5-104.1 102.7 66.1 -8.1 1.7 31 9 A P - 0 0 14 0, 0.0 21,-0.1 0, 0.0 3,-0.0 -0.179 18.8-171.0 -68.9 158.8 68.2 -9.0 -1.5 32 10 A D + 0 0 105 20,-0.1 2,-0.3 21,-0.0 -2,-0.0 0.609 59.4 83.9-123.3 -27.1 70.8 -6.7 -3.0 33 11 A D - 0 0 93 1,-0.1 4,-0.2 2,-0.0 20,-0.0 -0.674 57.3-157.6 -84.8 136.5 71.7 -8.4 -6.3 34 12 A I S > S+ 0 0 22 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.885 93.6 51.0 -76.6 -41.0 69.5 -7.7 -9.4 35 13 A S T 3 S+ 0 0 96 1,-0.2 -1,-0.2 31,-0.0 -2,-0.0 0.592 95.6 71.8 -74.7 -13.0 70.6 -10.8 -11.3 36 14 A T T 3 S+ 0 0 95 1,-0.0 2,-0.5 2,-0.0 -1,-0.2 0.613 85.8 79.5 -78.2 -12.5 69.9 -13.1 -8.3 37 15 A I < - 0 0 5 -3,-1.1 2,-0.6 -4,-0.2 -1,-0.0 -0.867 60.1-161.8-110.0 124.3 66.1 -12.7 -8.7 38 16 A N - 0 0 45 -2,-0.5 3,-0.3 1,-0.1 6,-0.3 -0.910 1.1-169.3-101.4 116.7 64.0 -14.6 -11.2 39 17 A L S S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 6,-0.0 0.540 75.8 75.2 -83.4 -8.7 60.6 -12.9 -11.6 40 18 A T S S+ 0 0 35 62,-0.0 374,-0.2 4,-0.0 -1,-0.2 0.900 86.9 64.7 -70.3 -42.6 59.1 -15.8 -13.6 41 19 A D S > S- 0 0 30 -3,-0.3 3,-1.2 1,-0.1 4,-0.1 -0.696 77.0-137.8 -93.7 135.9 58.6 -18.1 -10.6 42 20 A P G > S+ 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.772 93.5 75.1 -55.6 -33.5 56.1 -17.2 -7.8 43 21 A R G >> S+ 0 0 178 1,-0.3 4,-1.8 2,-0.2 3,-1.7 0.785 82.4 66.9 -55.0 -34.4 58.5 -18.4 -5.0 44 22 A T G <4 S+ 0 0 19 -3,-1.2 -1,-0.3 -6,-0.3 4,-0.1 0.470 98.3 53.3 -71.5 -1.9 60.7 -15.3 -5.4 45 23 A Y G <4 S+ 0 0 12 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.455 112.0 44.9-103.6 -7.1 57.8 -13.1 -4.1 46 24 A E T <4 S+ 0 0 43 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.1 0.658 116.7 41.2-108.2 -25.9 57.4 -15.2 -1.0 47 25 A V S < S+ 0 0 79 -4,-1.8 2,-0.4 -19,-0.1 -3,-0.1 0.626 112.4 61.5 -94.3 -16.4 61.0 -15.7 0.1 48 26 A N - 0 0 29 -5,-0.3 2,-0.8 -20,-0.2 -18,-0.2 -0.887 64.0-145.2-121.6 141.6 62.1 -12.1 -0.6 49 27 A D > - 0 0 70 -20,-2.3 3,-0.6 -2,-0.4 4,-0.3 -0.900 23.5-166.0 -93.6 101.3 61.2 -8.6 0.5 50 28 A L T 3> + 0 0 16 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.281 54.7 111.1 -78.4 12.0 61.7 -6.8 -2.8 51 29 A S H 3> S+ 0 0 26 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.901 86.1 34.9 -53.5 -49.3 61.8 -3.3 -1.3 52 30 A E H <> S+ 0 0 79 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.798 114.6 58.9 -77.5 -31.0 65.5 -2.8 -2.0 53 31 A Y H > S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.939 107.1 46.8 -58.6 -49.2 65.4 -4.7 -5.3 54 32 A W H X S+ 0 0 9 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.778 111.9 49.1 -68.5 -30.6 62.7 -2.4 -6.7 55 33 A R H X S+ 0 0 100 -4,-1.0 4,-0.7 -5,-0.2 -1,-0.2 0.763 107.0 55.3 -81.7 -26.5 64.5 0.8 -5.7 56 34 A Q H X>S+ 0 0 46 -4,-1.6 4,-1.8 2,-0.2 5,-0.9 0.854 114.1 42.2 -67.6 -36.6 67.8 -0.4 -7.2 57 35 A L H <5S+ 0 0 0 -4,-1.6 -2,-0.2 3,-0.2 22,-0.2 0.825 111.7 55.5 -72.7 -34.7 65.8 -0.9 -10.4 58 36 A R H <5S+ 0 0 8 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.590 118.1 32.8 -79.2 -10.3 64.0 2.4 -10.0 59 37 A T H <5S+ 0 0 72 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.728 135.2 14.6-113.1 -35.0 67.3 4.4 -9.7 60 38 A T T <5S+ 0 0 101 -4,-1.8 -3,-0.2 -5,-0.2 3,-0.1 0.757 131.2 32.2-113.0 -37.7 69.8 2.7 -12.0 61 39 A R < + 0 0 115 -5,-0.9 3,-0.4 1,-0.2 -1,-0.1 -0.544 59.1 158.6-124.1 67.1 68.0 0.3 -14.3 62 40 A P S S+ 0 0 10 0, 0.0 17,-1.2 0, 0.0 2,-0.7 0.897 84.3 35.0 -58.3 -43.3 64.5 1.8 -15.0 63 41 A L E S-A 78 0A 4 15,-0.2 2,-0.5 -3,-0.1 15,-0.2 -0.862 89.8-179.0-110.3 90.9 64.2 -0.3 -18.1 64 42 A Y E -A 77 0A 18 13,-2.3 13,-2.9 -2,-0.7 2,-0.9 -0.810 26.4-132.7-102.7 129.6 65.9 -3.5 -17.1 65 43 A W E -A 76 0A 104 -2,-0.5 11,-0.2 11,-0.2 -2,-0.0 -0.699 20.9-149.4 -81.5 106.5 66.4 -6.5 -19.4 66 44 A H E -A 75 0A 1 9,-3.4 9,-0.9 -2,-0.9 3,-0.1 -0.535 23.9-112.7 -71.1 138.3 65.3 -9.6 -17.5 67 45 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.337 36.2 -90.7 -72.0 156.6 67.3 -12.7 -18.7 68 46 A P - 0 0 88 0, 0.0 2,-0.5 0, 0.0 6,-0.2 -0.482 41.7-152.5 -67.1 135.3 65.6 -15.6 -20.5 69 47 A V - 0 0 48 4,-0.7 2,-0.2 2,-0.4 -3,-0.0 -0.955 51.8 -48.7-118.7 123.2 64.3 -18.3 -18.1 70 48 A G S S+ 0 0 79 -2,-0.5 2,-0.2 0, 0.0 0, 0.0 -0.399 129.9 22.9 57.1-120.1 64.0 -22.0 -19.1 71 49 A D S S- 0 0 152 -2,-0.2 -2,-0.4 1,-0.1 35,-0.0 -0.492 116.8 -40.9 -68.9 145.2 62.1 -21.8 -22.4 72 50 A A S S+ 0 0 75 -2,-0.2 -1,-0.1 -4,-0.1 2,-0.0 0.094 80.6 44.3 -48.3 159.1 62.5 -18.4 -24.2 73 51 A P - 0 0 52 0, 0.0 -4,-0.7 0, 0.0 2,-0.1 0.642 36.1-146.2-125.9-164.2 62.6 -15.4 -23.7 74 52 A G - 0 0 3 -6,-0.2 264,-0.4 -2,-0.0 2,-0.3 -0.412 29.2-159.4 -85.8 173.3 63.8 -12.4 -21.7 75 53 A F E -A 66 0A 0 -9,-0.9 -9,-3.4 -2,-0.1 2,-0.4 -0.974 21.4 -96.5-154.4 161.9 61.7 -9.3 -21.1 76 54 A W E -Ab 65 339A 31 262,-2.7 264,-2.8 -2,-0.3 2,-0.6 -0.717 30.0-152.7 -88.7 131.3 61.8 -5.6 -20.2 77 55 A V E -Ab 64 340A 0 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.5 -0.914 7.3-165.9-107.6 118.3 61.1 -4.7 -16.6 78 56 A V E +Ab 63 341A 0 262,-2.6 264,-2.3 -2,-0.6 -15,-0.2 -0.922 17.5 162.0-108.7 123.2 59.6 -1.2 -16.0 79 57 A S + 0 0 0 -17,-1.2 -1,-0.1 -2,-0.5 -21,-0.1 0.790 39.6 93.2-111.3 -41.1 59.8 0.0 -12.4 80 58 A R > - 0 0 75 -18,-0.3 4,-2.8 -23,-0.2 5,-0.2 -0.361 69.0-132.7 -67.4 137.6 59.3 3.8 -12.3 81 59 A Y H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.920 106.9 47.1 -52.3 -53.9 55.8 5.2 -11.7 82 60 A A H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 114.4 48.3 -59.3 -39.0 56.0 7.9 -14.6 83 61 A D H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 113.3 46.6 -66.7 -43.7 57.4 5.2 -16.9 84 62 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.904 112.5 50.4 -67.0 -42.7 54.7 2.7 -16.0 85 63 A M H X S+ 0 0 57 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.904 111.3 49.1 -58.7 -44.3 52.0 5.4 -16.4 86 64 A A H X S+ 0 0 55 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.847 111.4 47.8 -67.3 -37.0 53.4 6.4 -19.9 87 65 A L H < S+ 0 0 14 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.788 106.9 55.8 -78.6 -29.5 53.5 2.9 -21.2 88 66 A Y H < S+ 0 0 4 -4,-1.8 288,-0.4 1,-0.2 -1,-0.2 0.842 105.9 54.4 -63.3 -36.0 50.0 2.0 -20.0 89 67 A K H < S+ 0 0 123 -4,-1.2 2,-1.0 -5,-0.2 -2,-0.2 0.834 91.3 82.2 -68.5 -35.5 48.8 5.0 -22.0 90 68 A D < + 0 0 52 -4,-1.0 4,-0.1 1,-0.2 -1,-0.1 -0.631 39.3 151.4 -81.1 102.1 50.4 3.8 -25.3 91 69 A N S S+ 0 0 22 -2,-1.0 31,-0.2 2,-0.1 -1,-0.2 0.320 70.9 61.0-106.4 3.2 48.1 1.3 -27.0 92 70 A K S S+ 0 0 183 -3,-0.1 232,-0.1 3,-0.1 -2,-0.1 0.881 113.6 28.7 -91.0 -53.0 49.4 2.2 -30.4 93 71 A K S S+ 0 0 100 230,-0.1 230,-2.2 229,-0.1 231,-0.9 0.680 130.1 43.0 -84.1 -19.5 53.1 1.4 -30.2 94 72 A L E S-C 322 0A 1 228,-0.2 2,-0.3 229,-0.1 228,-0.2 -0.907 73.5-161.0-119.9 153.2 52.4 -1.3 -27.6 95 73 A T E -C 321 0A 16 226,-2.8 226,-2.5 -2,-0.3 3,-0.2 -0.979 28.0-160.3-134.7 151.3 49.6 -4.0 -27.6 96 74 A S S > S+ 0 0 0 -2,-0.3 3,-2.8 224,-0.2 5,-0.1 0.512 75.6 100.6 -91.3 -11.1 47.8 -6.3 -25.1 97 75 A E T 3 S+ 0 0 77 1,-0.3 13,-0.3 224,-0.1 -1,-0.1 0.409 81.7 46.5 -63.8 0.1 46.7 -8.3 -28.1 98 76 A K T 3 S- 0 0 81 1,-0.5 11,-0.4 -3,-0.2 -1,-0.3 0.058 133.5 -61.6-123.3 21.4 49.5 -10.9 -27.6 99 77 A G < - 0 0 0 -3,-2.8 -1,-0.5 10,-0.1 222,-0.1 -0.185 33.1-138.4 113.1 153.5 48.8 -11.2 -23.8 100 78 A N S S+ 0 0 24 -2,-0.1 219,-3.4 -3,-0.1 2,-0.3 0.340 80.6 58.8-127.3 3.1 48.9 -8.9 -20.8 101 79 A V S > S- 0 0 16 217,-0.2 4,-2.8 -5,-0.1 5,-0.3 -0.907 90.7-103.8-127.6 161.0 50.5 -11.1 -18.1 102 80 A L H > S+ 0 0 1 -2,-0.3 4,-3.0 1,-0.2 5,-0.4 0.869 115.5 54.3 -49.4 -48.3 53.9 -12.9 -18.0 103 81 A V H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.942 117.1 35.4 -54.5 -53.1 52.4 -16.4 -18.7 104 82 A T H >>S+ 0 0 25 2,-0.2 5,-3.3 1,-0.2 4,-0.8 0.859 118.8 50.9 -70.7 -38.0 50.7 -15.4 -21.9 105 83 A L H <5S+ 0 0 3 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.896 115.2 41.1 -69.5 -41.1 53.3 -12.9 -23.0 106 84 A L H <5S+ 0 0 36 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.797 112.9 54.2 -76.6 -30.0 56.2 -15.4 -22.6 107 85 A A H <5S- 0 0 89 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.641 121.2-111.0 -76.0 -15.7 54.2 -18.2 -24.1 108 86 A G T <5S+ 0 0 45 -4,-0.8 -3,-0.2 -10,-0.2 2,-0.2 0.804 74.8 4.8 93.3 34.5 53.6 -16.0 -27.1 109 87 A G < - 0 0 29 -5,-3.3 2,-0.4 -11,-0.4 -11,-0.2 -0.702 63.7-104.2 147.9 164.2 49.9 -15.1 -27.0 110 88 A D > - 0 0 33 -13,-0.3 3,-2.0 -2,-0.2 -11,-0.1 -0.991 24.8-140.5-117.7 129.9 46.5 -15.2 -25.3 111 89 A S T 3 S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 -13,-0.0 0.740 103.8 50.9 -63.6 -22.6 44.0 -17.6 -26.9 112 90 A A T >> S+ 0 0 6 3,-0.1 4,-2.4 2,-0.0 3,-1.7 0.312 82.3 138.5 -95.6 7.6 41.2 -15.0 -26.3 113 91 A A T <4 + 0 0 31 -3,-2.0 7,-0.2 1,-0.3 4,-0.1 -0.190 66.3 22.4 -58.2 142.6 43.1 -12.2 -28.0 114 92 A G T 34 S+ 0 0 31 5,-2.0 -1,-0.3 2,-0.3 6,-0.1 0.357 128.1 52.4 81.1 -4.4 41.2 -9.9 -30.4 115 93 A K T <4 S+ 0 0 66 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.642 91.1 70.7-126.4 -42.8 38.0 -10.9 -28.6 116 94 A M S >< S- 0 0 27 -4,-2.4 3,-1.9 3,-0.2 -2,-0.3 -0.728 78.8-129.5 -91.2 128.4 38.5 -10.4 -24.8 117 95 A L G > S+ 0 0 15 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.820 105.5 53.9 -42.2 -51.7 38.7 -6.7 -23.7 118 96 A A G 3 S+ 0 0 40 1,-0.3 -1,-0.3 143,-0.1 -5,-0.1 0.781 117.0 39.0 -58.4 -29.2 41.9 -7.1 -21.7 119 97 A V G < S+ 0 0 0 -3,-1.9 -5,-2.0 -7,-0.2 2,-0.4 -0.145 100.9 91.8-115.7 35.8 43.6 -8.5 -24.7 120 98 A T < + 0 0 0 -3,-1.7 2,-0.2 -7,-0.2 -7,-0.0 -0.995 45.7 176.5-134.4 138.0 42.1 -6.3 -27.5 121 99 A D >> + 0 0 11 -2,-0.4 4,-0.7 4,-0.1 3,-0.5 -0.630 42.6 30.8-125.3-176.3 43.3 -3.0 -29.0 122 100 A G H >> S- 0 0 41 -31,-0.2 4,-2.0 1,-0.2 3,-0.7 -0.183 117.0 -18.5 65.0-154.1 42.2 -0.6 -31.8 123 101 A A H 3> S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.844 133.5 59.2 -54.6 -42.3 38.6 -0.1 -32.9 124 102 A M H <> S+ 0 0 55 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.856 108.6 44.5 -60.2 -39.2 37.3 -3.3 -31.3 125 103 A H H X S+ 0 0 110 -4,-1.4 4,-0.6 -5,-0.2 3,-0.6 0.880 105.7 50.6 -72.6 -40.7 31.7 2.3 -24.9 131 109 A V H 3< S+ 0 0 28 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.775 116.9 43.6 -66.3 -25.0 28.8 -0.2 -24.9 132 110 A L T 3X S+ 0 0 1 -4,-0.8 4,-0.7 -5,-0.2 -1,-0.2 0.463 90.4 88.2 -99.7 -5.2 29.8 -1.1 -21.3 133 111 A L T X4 S+ 0 0 118 -3,-0.6 3,-1.1 -4,-0.4 4,-0.3 0.943 91.9 42.7 -58.9 -53.1 30.4 2.5 -20.1 134 112 A K G >< S+ 0 0 174 -4,-0.6 3,-0.7 1,-0.2 6,-0.3 0.802 110.3 58.5 -64.5 -30.2 26.7 3.1 -19.0 135 113 A S G 34 S+ 0 0 13 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.650 112.4 39.9 -74.5 -15.9 26.6 -0.4 -17.5 136 114 A F G << S+ 0 0 20 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.243 86.9 119.7-118.9 9.3 29.6 0.5 -15.2 137 115 A S S <> S- 0 0 36 -3,-0.7 4,-2.1 -4,-0.3 3,-0.4 -0.457 76.5-112.7 -72.1 148.5 28.6 4.1 -14.3 138 116 A P H > S+ 0 0 72 0, 0.0 4,-0.9 0, 0.0 7,-0.2 0.853 115.9 55.5 -44.4 -43.5 28.1 5.0 -10.6 139 117 A Q H 4 S+ 0 0 163 1,-0.2 3,-0.4 2,-0.2 -4,-0.1 0.886 111.7 40.2 -63.8 -44.1 24.3 5.6 -11.3 140 118 A A H 4 S+ 0 0 40 -3,-0.4 4,-0.3 -6,-0.3 -1,-0.2 0.778 116.6 52.0 -75.0 -27.5 23.7 2.2 -12.8 141 119 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.545 81.4 94.2 -86.8 -7.6 25.9 0.5 -10.2 142 120 A K H X S+ 0 0 130 -4,-0.9 4,-2.4 -3,-0.4 -1,-0.2 0.859 86.1 47.2 -57.7 -42.0 24.2 2.1 -7.2 143 121 A P H > S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.894 114.9 47.8 -64.7 -38.0 21.8 -0.9 -6.6 144 122 A I H > S+ 0 0 20 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.949 112.5 48.0 -62.1 -51.3 24.7 -3.3 -7.0 145 123 A V H X S+ 0 0 17 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.899 110.0 52.9 -56.6 -44.7 26.9 -1.2 -4.6 146 124 A D H X S+ 0 0 63 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.866 110.8 47.2 -59.2 -38.6 23.9 -1.1 -2.1 147 125 A Q H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.857 108.2 54.8 -72.1 -37.4 23.7 -4.9 -2.3 148 126 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.920 108.7 50.2 -57.1 -44.4 27.5 -5.2 -1.8 149 127 A R H X S+ 0 0 96 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.888 110.1 48.3 -65.5 -41.0 27.1 -3.2 1.3 150 128 A V H X S+ 0 0 78 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.943 115.2 45.7 -62.1 -49.1 24.3 -5.3 2.7 151 129 A N H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.919 113.5 47.9 -59.9 -49.0 26.2 -8.5 2.0 152 130 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.905 112.4 48.8 -61.4 -44.2 29.5 -7.3 3.5 153 131 A T H X S+ 0 0 23 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.900 113.0 47.9 -64.9 -40.4 27.9 -6.0 6.7 154 132 A R H X S+ 0 0 99 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.920 113.1 47.8 -63.7 -44.9 26.1 -9.2 7.2 155 133 A L H X S+ 0 0 15 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.857 115.0 45.4 -66.7 -36.2 29.2 -11.3 6.5 156 134 A V H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 111.6 51.0 -72.0 -46.4 31.3 -9.2 8.9 157 135 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.920 112.1 47.4 -57.6 -46.6 28.7 -9.1 11.7 158 136 A D H X S+ 0 0 73 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.879 112.5 49.8 -61.6 -39.7 28.3 -12.9 11.6 159 137 A A H X S+ 0 0 5 -4,-1.5 4,-1.5 2,-0.2 267,-0.3 0.822 111.3 50.2 -67.2 -32.6 32.2 -13.1 11.6 160 138 A A H < S+ 0 0 1 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.888 111.3 46.7 -71.8 -42.7 32.2 -10.8 14.6 161 139 A R H < S+ 0 0 119 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 112.7 51.7 -62.8 -38.7 29.5 -12.8 16.5 162 140 A R H < S- 0 0 170 -4,-2.1 2,-2.1 -5,-0.2 -2,-0.2 0.849 84.9-168.9 -66.3 -37.6 31.5 -16.0 15.6 163 141 A G < + 0 0 15 -4,-1.5 263,-2.7 -5,-0.1 2,-0.6 -0.369 66.6 67.5 78.6 -59.3 34.7 -14.4 17.0 164 142 A E E +E 425 0B 105 -2,-2.1 2,-0.3 261,-0.2 261,-0.2 -0.852 69.7 134.1 -97.2 116.3 36.9 -17.2 15.5 165 143 A C E -E 424 0B 10 259,-2.1 259,-3.1 -2,-0.6 2,-0.8 -0.993 58.3-116.3-155.6 160.3 37.1 -17.2 11.7 166 144 A D E > -E 423 0B 34 -2,-0.3 4,-2.5 257,-0.3 5,-0.4 -0.896 30.8-152.7 -97.3 104.9 39.3 -17.5 8.6 167 145 A F H >>S+ 0 0 4 255,-2.3 5,-2.5 -2,-0.8 4,-1.4 0.760 86.7 55.5 -53.7 -34.6 38.8 -14.1 7.1 168 146 A A H 4>S+ 0 0 1 254,-0.2 5,-2.5 3,-0.2 -1,-0.2 0.960 118.4 28.9 -63.6 -53.3 39.5 -15.3 3.5 169 147 A A H 45S+ 0 0 32 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.791 125.5 44.1 -81.2 -31.4 36.9 -18.1 3.3 170 148 A D H <5S+ 0 0 57 -4,-2.5 -3,-0.2 3,-0.1 -1,-0.2 0.732 134.9 3.4 -91.6 -25.6 34.3 -16.7 5.7 171 149 A V T ><5S+ 0 0 0 -4,-1.4 3,-1.5 -5,-0.4 -3,-0.2 0.678 126.4 47.3-120.4 -63.4 34.2 -13.1 4.5 172 150 A A G > S+ 0 0 2 -3,-0.8 4,-1.4 -4,-0.1 -2,-0.1 0.793 100.6 48.6-113.3 -59.8 31.4 -10.9 -1.9 176 154 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.822 109.1 45.4 -68.1 -42.1 33.1 -10.3 -5.3 177 155 A L H > S+ 0 0 23 -4,-0.3 4,-1.7 1,-0.2 5,-0.2 0.874 114.5 48.4 -70.6 -39.2 32.0 -13.3 -7.4 178 156 A N H > S+ 0 0 42 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.775 110.1 55.2 -70.1 -27.4 28.4 -13.1 -6.4 179 157 A T H X S+ 0 0 8 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.917 108.7 45.6 -66.5 -46.8 28.5 -9.4 -7.1 180 158 A I H X S+ 0 0 8 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.834 110.9 50.4 -73.6 -34.3 29.7 -9.8 -10.7 181 159 A S H X>S+ 0 0 6 -4,-1.7 5,-2.6 2,-0.2 4,-1.4 0.735 108.6 55.0 -74.9 -24.2 27.3 -12.6 -11.7 182 160 A D H <5S+ 0 0 71 -4,-0.8 -2,-0.2 3,-0.2 -1,-0.2 0.896 109.9 46.1 -68.3 -43.9 24.5 -10.4 -10.3 183 161 A L H <5S+ 0 0 13 -4,-1.8 56,-1.8 1,-0.2 -2,-0.2 0.843 111.5 51.9 -65.5 -36.6 25.7 -7.6 -12.6 184 162 A L H <5S- 0 0 0 -4,-2.0 56,-1.1 54,-0.2 57,-0.3 0.828 115.7-117.6 -69.7 -32.9 25.9 -10.1 -15.5 185 163 A G T <5 + 0 0 25 -4,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.763 55.6 154.9 99.3 31.6 22.3 -11.2 -14.8 186 164 A V < - 0 0 10 -5,-2.6 -1,-0.3 1,-0.1 5,-0.1 -0.703 48.0-108.4 -83.2 141.0 22.7 -14.9 -13.9 187 165 A P > - 0 0 63 0, 0.0 3,-0.6 0, 0.0 4,-0.4 -0.275 24.3-114.6 -64.8 158.4 19.8 -16.2 -11.7 188 166 A A G >> S+ 0 0 77 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.834 115.3 56.9 -64.7 -35.3 20.5 -17.0 -8.0 189 167 A A G 34 S+ 0 0 90 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.791 104.8 53.2 -64.2 -29.6 19.9 -20.7 -8.5 190 168 A D G <> S+ 0 0 50 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.506 87.4 84.8 -86.5 -6.2 22.6 -20.8 -11.2 191 169 A R H <> S+ 0 0 77 -3,-1.0 4,-2.3 -4,-0.4 3,-0.3 0.947 90.1 44.8 -62.8 -53.4 25.3 -19.2 -9.0 192 170 A E H X S+ 0 0 135 -4,-0.5 4,-2.0 1,-0.2 5,-0.2 0.811 110.0 58.6 -62.5 -31.6 26.5 -22.4 -7.3 193 171 A F H > S+ 0 0 98 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.906 110.2 42.6 -59.1 -45.2 26.5 -24.0 -10.7 194 172 A L H X S+ 0 0 17 -4,-1.7 4,-1.5 -3,-0.3 -2,-0.2 0.862 111.3 55.0 -70.2 -38.8 28.9 -21.4 -11.9 195 173 A L H X S+ 0 0 56 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.939 112.5 39.6 -64.4 -51.6 31.1 -21.4 -8.8 196 174 A K H X S+ 0 0 157 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.766 114.9 55.6 -69.5 -25.7 31.9 -25.2 -8.8 197 175 A L H X S+ 0 0 26 -4,-1.0 4,-0.6 -5,-0.2 -1,-0.2 0.760 110.9 44.0 -77.5 -26.7 32.2 -25.1 -12.6 198 176 A N H X S+ 0 0 10 -4,-1.5 4,-1.6 -3,-0.3 -2,-0.2 0.824 103.2 64.7 -84.6 -35.6 34.9 -22.3 -12.4 199 177 A K H < S+ 0 0 150 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.866 110.3 37.5 -54.9 -42.9 36.9 -23.9 -9.5 200 178 A S H >< S+ 0 0 55 -4,-1.0 3,-0.7 2,-0.2 -1,-0.2 0.740 109.6 62.4 -83.7 -25.7 37.8 -26.9 -11.6 201 179 A A H 3< S+ 0 0 9 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.798 112.5 38.4 -63.3 -29.7 38.2 -24.7 -14.7 202 180 A L T 3< S+ 0 0 101 -4,-1.6 -1,-0.2 14,-0.0 -2,-0.2 0.235 92.2 121.7-106.3 10.7 41.0 -22.9 -12.8 203 181 A S < - 0 0 62 -3,-0.7 3,-0.1 1,-0.1 10,-0.1 -0.391 34.9-179.5 -73.2 152.7 42.4 -26.0 -11.1 204 182 A S + 0 0 94 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.748 39.6 98.1-117.2 -51.6 46.1 -27.0 -11.7 205 183 A E 0 0 151 1,-0.3 -1,-0.3 4,-0.0 0, 0.0 -0.853 360.0 360.0-114.8 132.1 47.1 -30.1 -9.9 206 184 A D 0 0 171 -2,-0.4 -1,-0.3 -3,-0.1 3,-0.2 0.293 360.0 360.0-116.5 360.0 47.3 -32.8 -10.9 207 ! 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 0.0 208 187 A Q > 0 0 200 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 18.7 43.1 -36.2 -18.1 209 188 A S H > + 0 0 42 -3,-0.2 4,-1.3 1,-0.2 5,-0.1 0.676 360.0 73.0 -78.6 -19.2 42.8 -33.2 -15.8 210 189 A A H > S+ 0 0 91 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.880 106.7 33.3 -61.5 -41.9 44.2 -30.9 -18.5 211 190 A T H > S+ 0 0 85 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.676 104.7 73.2 -90.6 -21.5 41.0 -31.1 -20.6 212 191 A D H X S+ 0 0 72 -4,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.878 101.0 47.1 -53.7 -40.1 38.7 -31.4 -17.5 213 192 A A H X S+ 0 0 18 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.839 110.6 51.4 -70.6 -36.2 39.5 -27.7 -17.0 214 193 A W H X S+ 0 0 135 -4,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.890 110.2 48.1 -69.2 -41.6 38.8 -27.0 -20.7 215 194 A L H X S+ 0 0 85 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.874 109.5 53.7 -65.5 -39.2 35.4 -28.7 -20.6 216 195 A A H X S+ 0 0 5 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.889 112.2 44.4 -60.3 -42.1 34.5 -26.8 -17.4 217 196 A R H X S+ 0 0 89 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.925 111.1 54.5 -67.8 -46.8 35.3 -23.6 -19.1 218 197 A N H X S+ 0 0 49 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.898 105.9 52.3 -50.8 -48.0 33.4 -24.7 -22.2 219 198 A E H X S+ 0 0 92 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.838 108.7 49.7 -62.1 -38.1 30.3 -25.4 -20.2 220 199 A I H X S+ 0 0 1 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.923 112.7 47.6 -63.9 -46.0 30.3 -21.9 -18.6 221 200 A L H X S+ 0 0 33 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.854 112.4 49.1 -64.9 -36.9 30.7 -20.4 -22.1 222 201 A L H X S+ 0 0 89 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.865 110.0 51.4 -70.0 -38.1 27.9 -22.5 -23.4 223 202 A Y H X S+ 0 0 18 -4,-2.1 4,-1.8 2,-0.2 3,-0.4 0.910 109.9 49.1 -63.3 -44.3 25.6 -21.6 -20.4 224 203 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.841 106.4 57.6 -62.4 -34.7 26.3 -17.9 -21.1 225 204 A S H X S+ 0 0 15 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.786 105.5 50.3 -65.2 -31.0 25.5 -18.5 -24.8 226 205 A E H X S+ 0 0 124 -4,-1.2 4,-0.9 -3,-0.4 -2,-0.2 0.862 110.9 47.6 -74.8 -38.3 22.1 -19.8 -23.6 227 206 A L H < S+ 0 0 23 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.816 110.1 54.8 -67.5 -31.9 21.7 -16.6 -21.5 228 207 A V H >< S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.924 98.7 60.7 -64.6 -45.3 22.8 -14.7 -24.6 229 208 A A H >X S+ 0 0 57 -4,-1.9 3,-0.7 1,-0.3 4,-0.6 0.829 94.5 65.0 -50.4 -35.3 20.0 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