==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-AUG-07 2V9C . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.-J.WANG,C.HAGEMEIER,N.RAHMAN,E.D.LOWE,M.E.M.NOBLE,M.COUGHT . 396 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.5 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 30.8 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+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 0 2 2 0 0 3 4 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 3 1 4 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 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 2 A S 0 0 71 0, 0.0 2,-0.3 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 109.1 37.1 39.1 12.8 2 3 A R - 0 0 106 33,-0.1 86,-3.0 84,-0.1 87,-2.4 -0.698 360.0-145.6 -87.6 137.3 33.8 38.6 10.9 3 4 A I E -ab 37 89A 4 33,-3.0 35,-2.9 -2,-0.3 2,-0.5 -0.862 16.5-167.9-112.3 137.8 31.6 35.7 11.9 4 5 A L E -ab 38 90A 1 85,-2.6 87,-2.9 -2,-0.4 2,-0.6 -0.980 13.1-163.4-115.4 119.1 29.4 33.3 10.1 5 6 A A E -ab 39 91A 0 33,-3.0 35,-3.2 -2,-0.5 2,-0.6 -0.909 3.6-168.9-107.1 118.6 27.1 31.2 12.3 6 7 A V E -ab 40 92A 0 85,-3.2 87,-2.5 -2,-0.6 2,-0.6 -0.925 5.8-162.1-106.5 117.5 25.5 28.1 10.8 7 8 A H E +ab 41 93A 4 33,-1.7 35,-2.4 -2,-0.6 36,-0.8 -0.891 13.1 175.1-104.3 121.0 22.8 26.6 12.9 8 9 A A + 0 0 0 85,-2.9 97,-0.2 -2,-0.6 96,-0.2 0.528 43.2 102.1-105.1 -7.8 21.8 23.0 12.1 9 10 A S - 0 0 4 84,-0.3 34,-0.3 1,-0.1 35,-0.2 -0.567 59.9-147.7 -77.5 142.2 19.3 22.0 14.8 10 11 A P S S+ 0 0 5 0, 0.0 248,-0.5 0, 0.0 2,-0.2 0.581 77.4 88.7 -80.1 -12.3 15.7 22.0 13.7 11 12 A R - 0 0 83 1,-0.1 -2,-0.1 246,-0.1 33,-0.1 -0.569 59.0-167.6 -85.1 151.9 14.8 22.9 17.3 12 13 A G S > S+ 0 0 10 -2,-0.2 3,-2.2 32,-0.0 6,-0.2 0.612 73.9 5.8-100.6-105.5 14.6 26.5 18.3 13 14 A E T 3 S+ 0 0 186 1,-0.3 -2,-0.1 5,-0.1 6,-0.1 0.786 132.9 53.0 -48.6 -36.1 14.4 27.6 22.0 14 15 A R T 3 S+ 0 0 174 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.479 81.8 112.2 -84.9 -4.6 14.8 24.0 23.0 15 16 A S <> - 0 0 1 -3,-2.2 4,-1.6 1,-0.2 5,-0.1 -0.586 45.7-170.2 -75.5 123.0 18.0 23.5 21.0 16 17 A Q H > S+ 0 0 43 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.879 87.6 52.7 -77.3 -40.5 21.0 23.1 23.2 17 18 A S H > S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.861 113.0 45.6 -63.4 -35.7 23.5 23.3 20.3 18 19 A R H > S+ 0 0 31 2,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.895 113.0 49.9 -71.6 -42.9 21.9 26.5 19.2 19 20 A R H X S+ 0 0 83 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.931 109.7 50.0 -63.5 -47.3 21.8 27.9 22.8 20 21 A L H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.855 112.3 48.0 -60.8 -35.9 25.4 27.2 23.5 21 22 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.852 108.7 52.6 -75.8 -33.2 26.5 28.8 20.3 22 23 A E H X S+ 0 0 54 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.786 104.9 57.7 -70.9 -28.1 24.4 31.9 20.9 23 24 A V H X S+ 0 0 32 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.935 108.8 45.3 -64.7 -46.3 26.1 32.1 24.3 24 25 A F H X S+ 0 0 3 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.874 113.0 50.5 -62.3 -40.5 29.4 32.2 22.5 25 26 A L H X S+ 0 0 3 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.849 110.7 47.0 -71.7 -36.3 28.2 34.8 20.0 26 27 A A H X S+ 0 0 57 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.949 113.7 49.1 -68.0 -49.0 26.8 37.2 22.5 27 28 A A H X S+ 0 0 18 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.922 110.8 49.5 -54.2 -48.6 29.9 36.9 24.6 28 29 A Y H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.881 108.8 55.1 -61.0 -34.6 32.0 37.5 21.5 29 30 A R H < S+ 0 0 103 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.804 102.5 54.3 -68.3 -32.2 29.8 40.5 20.8 30 31 A E H < S+ 0 0 170 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.892 113.5 44.2 -66.4 -39.6 30.4 42.1 24.2 31 32 A A H < S+ 0 0 53 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.800 124.5 32.1 -75.9 -29.3 34.1 41.9 23.5 32 33 A H >< + 0 0 54 -4,-1.8 3,-2.7 -5,-0.2 -1,-0.2 -0.563 63.7 174.3-132.5 72.5 33.9 43.1 19.9 33 34 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.668 81.7 51.3 -51.7 -24.1 31.0 45.6 19.5 34 35 A Q T 3 S+ 0 0 175 -3,-0.1 -5,-0.1 2,-0.1 2,-0.0 0.470 84.7 115.9 -93.7 -5.5 32.0 46.4 16.0 35 36 A A < - 0 0 15 -3,-2.7 2,-0.5 -6,-0.2 -33,-0.1 -0.313 62.2-127.9 -70.0 147.6 32.2 42.8 14.8 36 37 A R - 0 0 163 -35,-0.2 -33,-3.0 -2,-0.0 2,-0.5 -0.837 20.0-167.7 -99.1 131.7 29.8 41.5 12.1 37 38 A V E -a 3 0A 29 -2,-0.5 2,-0.4 -35,-0.2 -33,-0.2 -0.971 2.2-172.2-120.4 116.6 27.8 38.4 12.7 38 39 A A E -a 4 0A 44 -35,-2.9 -33,-3.0 -2,-0.5 2,-0.4 -0.866 10.2-152.9-103.9 141.7 26.0 36.7 9.9 39 40 A R E -a 5 0A 129 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.948 8.9-169.9-117.3 136.7 23.6 33.9 10.6 40 41 A R E -a 6 0A 42 -35,-3.2 -33,-1.7 -2,-0.4 2,-0.5 -0.960 13.3-148.6-127.3 113.0 22.7 31.0 8.2 41 42 A E E +a 7 0A 43 -2,-0.5 -33,-0.1 -35,-0.2 -35,-0.1 -0.692 31.9 153.4 -84.5 122.8 19.9 28.7 9.1 42 43 A V S S+ 0 0 3 -35,-2.4 5,-0.2 -2,-0.5 -34,-0.2 0.301 70.6 50.0-127.2 4.8 20.1 25.1 7.9 43 44 A G S S+ 0 0 17 -36,-0.8 -35,-0.1 -34,-0.3 61,-0.1 0.788 113.2 35.6-109.5 -45.1 18.1 23.3 10.5 44 45 A R S S+ 0 0 131 -37,-0.3 -36,-0.1 -35,-0.2 -3,-0.0 0.412 120.2 54.6 -92.2 -0.6 14.8 25.1 10.9 45 46 A V S S- 0 0 72 212,-0.0 2,-0.2 2,-0.0 -1,-0.0 -0.983 92.2-111.2-135.3 139.0 14.7 25.8 7.2 46 47 A P - 0 0 119 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.519 26.5-158.7 -75.3 140.8 15.1 23.4 4.4 47 48 A L - 0 0 21 -5,-0.2 60,-0.1 -2,-0.2 61,-0.1 -0.983 26.1-109.0-123.8 120.8 18.2 23.5 2.3 48 49 A P - 0 0 73 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.095 28.6-130.0 -50.1 137.6 18.2 22.1 -1.2 49 50 A A - 0 0 41 1,-0.1 2,-0.2 259,-0.0 5,-0.1 -0.460 38.7 -82.5 -82.0 159.0 20.1 18.9 -1.8 50 51 A V - 0 0 14 -2,-0.2 2,-0.2 4,-0.1 260,-0.1 -0.483 52.6-163.2 -63.7 126.6 22.5 18.6 -4.6 51 52 A T > - 0 0 72 -2,-0.2 4,-1.8 22,-0.1 166,-0.1 -0.497 35.6-101.9-103.5 177.2 20.7 17.8 -7.8 52 53 A E H > S+ 0 0 64 164,-0.5 4,-2.1 1,-0.2 5,-0.1 0.874 125.4 54.7 -65.9 -37.0 21.9 16.5 -11.2 53 54 A A H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.846 104.5 53.2 -65.3 -34.6 21.6 20.0 -12.5 54 55 A F H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 109.4 49.1 -67.6 -40.4 23.9 21.2 -9.7 55 56 A V H X S+ 0 0 29 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.892 110.0 50.8 -63.7 -40.5 26.4 18.6 -10.6 56 57 A A H < S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.893 118.0 38.5 -64.3 -41.2 26.3 19.5 -14.3 57 58 A A H >< S+ 0 0 0 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.890 113.4 51.7 -77.8 -45.2 26.8 23.2 -13.5 58 59 A A H 3< S+ 0 0 2 -4,-2.7 57,-0.2 1,-0.2 -1,-0.2 0.753 120.6 35.1 -67.4 -24.5 29.3 23.0 -10.7 59 60 A F T 3< S+ 0 0 109 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.087 80.9 142.9-116.6 19.4 31.6 20.7 -12.7 60 61 A H < - 0 0 39 -3,-1.1 -3,-0.1 1,-0.1 6,-0.1 -0.388 52.2-135.0 -58.8 139.6 31.0 22.2 -16.1 61 62 A P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.771 98.2 37.1 -72.9 -31.1 34.4 22.1 -17.9 62 63 A Q S > S- 0 0 91 1,-0.1 3,-2.5 2,-0.0 4,-0.1 -0.755 71.4-177.4-122.0 80.1 34.1 25.7 -19.3 63 64 A P G > S+ 0 0 52 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.845 78.2 63.7 -49.4 -41.2 32.4 27.6 -16.5 64 65 A E G 3 S+ 0 0 164 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.735 98.7 58.9 -55.2 -23.3 32.3 30.8 -18.4 65 66 A Q G < S+ 0 0 125 -3,-2.5 -1,-0.3 2,-0.0 2,-0.1 0.311 74.9 127.7 -92.1 9.0 30.0 29.1 -20.9 66 67 A R < - 0 0 46 -3,-2.4 -9,-0.0 -4,-0.1 5,-0.0 -0.425 59.3-121.6 -67.1 140.2 27.3 28.2 -18.3 67 68 A S > - 0 0 55 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.187 24.6-104.7 -73.4 170.9 23.8 29.2 -19.4 68 69 A L H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.868 124.4 54.9 -62.9 -38.4 21.7 31.6 -17.3 69 70 A A H > S+ 0 0 64 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.900 107.4 48.9 -61.6 -44.1 19.7 28.5 -16.3 70 71 A M H > S+ 0 0 49 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.874 108.9 52.6 -63.5 -39.1 22.8 26.8 -15.1 71 72 A Q H >< S+ 0 0 96 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.870 104.5 56.5 -65.5 -36.6 23.8 29.9 -13.1 72 73 A A H >< S+ 0 0 67 -4,-1.9 3,-0.7 1,-0.3 4,-0.4 0.833 101.7 57.0 -61.1 -33.2 20.4 29.9 -11.5 73 74 A D H 3< S+ 0 0 74 -4,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.701 112.5 41.8 -69.0 -21.7 21.2 26.3 -10.3 74 75 A L T S+ 0 0 49 -3,-0.7 4,-2.1 -4,-0.4 5,-0.1 0.909 84.1 44.9 -60.4 -49.6 22.8 30.8 -7.2 76 77 A L H > S+ 0 0 49 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.951 113.7 52.1 -60.2 -47.2 22.1 29.6 -3.7 77 78 A S H > S+ 0 0 0 -4,-0.2 4,-2.8 1,-0.2 5,-0.3 0.902 107.5 51.3 -54.0 -46.7 25.5 28.0 -3.6 78 79 A D H X S+ 0 0 78 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.923 110.7 49.5 -58.8 -43.4 27.2 31.2 -4.6 79 80 A Q H X S+ 0 0 109 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.916 112.7 48.3 -59.4 -44.8 25.4 33.0 -1.9 80 81 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.878 113.5 43.1 -65.8 -45.9 26.5 30.3 0.7 81 82 A V H X S+ 0 0 7 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.877 108.8 61.5 -70.3 -32.7 30.1 30.2 -0.2 82 83 A G H X S+ 0 0 27 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.880 101.6 51.9 -56.0 -41.2 30.1 34.0 -0.4 83 84 A E H < S+ 0 0 40 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.9 47.1 -63.7 -35.2 29.1 34.1 3.3 84 85 A L H >< S+ 0 0 1 -4,-1.1 3,-1.5 1,-0.2 -2,-0.2 0.891 108.9 52.8 -73.8 -42.0 32.0 31.8 4.0 85 86 A F H 3< S+ 0 0 95 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.861 107.1 54.2 -62.1 -34.8 34.4 33.9 2.0 86 87 A D T 3< S+ 0 0 96 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.3 0.470 99.7 84.1 -77.7 -1.9 33.4 37.0 3.9 87 88 A S < - 0 0 3 -3,-1.5 -84,-0.2 1,-0.1 3,-0.1 -0.730 49.0-172.6-109.8 156.6 34.1 35.4 7.2 88 89 A D S S+ 0 0 55 -86,-3.0 49,-2.0 1,-0.3 2,-0.4 0.696 85.2 37.3-105.4 -35.2 37.1 34.9 9.4 89 90 A L E -bc 3 137A 7 -87,-2.4 -85,-2.6 47,-0.2 2,-0.5 -0.976 66.7-161.2-127.3 127.8 35.4 32.6 11.9 90 91 A L E -bc 4 138A 1 47,-2.3 49,-3.1 -2,-0.4 2,-0.5 -0.902 5.7-167.3-106.0 122.6 32.8 30.0 11.2 91 92 A V E -bc 5 139A 1 -87,-2.9 -85,-3.2 -2,-0.5 2,-0.5 -0.949 3.9-171.7-111.4 123.9 30.6 28.7 14.0 92 93 A I E -bc 6 140A 0 47,-2.9 49,-2.8 -2,-0.5 2,-0.5 -0.965 4.4-167.0-117.4 123.0 28.6 25.6 13.4 93 94 A S E +bc 7 141A 0 -87,-2.5 -85,-2.9 -2,-0.5 -84,-0.3 -0.922 24.0 152.7-105.6 130.7 26.0 24.4 15.9 94 95 A T E - c 0 142A 0 47,-2.4 49,-1.4 -2,-0.5 2,-0.2 -0.989 36.0-137.2-158.1 145.0 24.7 20.9 15.4 95 96 A P E - c 0 143A 15 0, 0.0 2,-0.7 0, 0.0 49,-0.2 -0.606 37.4-105.0 -92.7 162.9 23.2 18.0 17.3 96 97 A M - 0 0 27 47,-1.9 2,-0.6 -2,-0.2 49,-0.3 -0.830 39.0-173.4 -89.6 114.4 24.3 14.4 16.6 97 98 A Y B > -E 100 0B 39 3,-2.2 3,-1.2 -2,-0.7 219,-0.1 -0.938 69.1 -24.2-112.2 114.1 21.5 12.8 14.6 98 99 A N T 3 S- 0 0 36 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.907 125.9 -49.3 49.7 51.3 22.0 9.0 14.0 99 100 A F T 3 S+ 0 0 20 1,-0.3 61,-1.7 -3,-0.1 -1,-0.3 0.572 133.1 50.2 68.5 15.6 25.8 9.1 14.4 100 101 A S B < S-E 97 0B 1 -3,-1.2 -3,-2.2 59,-0.1 61,-0.3 -0.625 96.6 -64.3-150.8-154.3 26.2 12.1 12.0 101 102 A V - 0 0 0 59,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.731 58.4 -83.7-106.4 159.0 24.7 15.5 11.4 102 103 A P >> - 0 0 8 0, 0.0 4,-1.2 0, 0.0 3,-1.0 -0.239 46.6-110.3 -52.7 149.6 21.2 16.5 10.5 103 104 A S H 3> S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.773 113.7 64.1 -59.2 -29.7 20.6 16.3 6.7 104 105 A G H 3> S+ 0 0 9 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.853 102.1 48.8 -60.8 -39.1 20.4 20.1 6.3 105 106 A L H <> S+ 0 0 0 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.842 108.8 53.4 -70.7 -34.7 24.0 20.5 7.4 106 107 A K H X S+ 0 0 1 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.879 108.5 50.6 -64.7 -38.0 25.1 17.9 5.0 107 108 A A H X S+ 0 0 1 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.848 106.6 54.7 -69.7 -33.2 23.3 19.8 2.3 108 109 A W H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 3,-0.4 0.932 108.9 47.6 -65.7 -44.8 25.0 23.0 3.4 109 110 A I H >X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 3,-0.5 0.932 108.4 55.1 -57.7 -47.4 28.4 21.3 3.0 110 111 A D H 3< S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.755 109.2 49.0 -60.9 -25.0 27.4 19.9 -0.4 111 112 A Q H 3< S+ 0 0 8 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.775 112.1 46.8 -83.5 -30.3 26.6 23.5 -1.5 112 113 A I H << S+ 0 0 1 -4,-1.5 2,-1.1 -3,-0.5 -2,-0.2 0.690 86.1 85.2 -91.6 -18.8 29.9 25.0 -0.3 113 114 A V < + 0 0 11 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.1 -0.752 65.7 169.9 -83.8 102.9 32.5 22.6 -1.6 114 115 A R >>> - 0 0 6 -2,-1.1 4,-2.8 -37,-0.0 3,-2.0 -0.973 36.9-116.1-128.9 129.5 32.8 24.1 -5.1 115 116 A L B 345S+f 119 0C 35 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.323 101.4 8.3 -61.9 131.1 35.3 23.4 -7.8 116 117 A G T 345S+ 0 0 44 3,-2.4 -1,-0.3 1,-0.1 4,-0.2 0.496 131.2 58.4 77.5 1.8 37.4 26.4 -8.7 117 118 A V T <45S+ 0 0 44 -3,-2.0 -2,-0.2 2,-0.7 -1,-0.1 0.642 121.5 7.4-127.2 -54.9 36.0 28.2 -5.7 118 119 A T T <5S+ 0 0 0 -4,-2.8 14,-1.8 1,-0.4 15,-0.5 0.484 137.4 7.8-111.6 -4.7 36.6 26.4 -2.4 119 120 A F E < -fG 115 131C 12 -5,-1.4 -3,-2.4 12,-0.3 -2,-0.7 -0.957 63.3-173.0-162.8 159.5 38.9 23.8 -3.9 120 121 A D E - G 0 130C 53 10,-2.4 10,-2.7 -2,-0.3 2,-0.3 -0.896 10.4-143.9-145.7 175.4 40.6 23.0 -7.1 121 122 A F E - G 0 129C 78 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.958 6.2-160.8-145.1 165.4 42.5 20.2 -8.6 122 123 A V E - G 0 128C 95 6,-1.9 6,-3.7 -2,-0.3 2,-0.4 -0.923 32.9 -98.4-139.3 160.1 45.4 19.4 -10.9 123 124 A L E G 0 127C 114 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.711 360.0 360.0 -98.0 140.2 46.3 16.3 -12.7 124 125 A D 0 0 140 2,-1.3 -1,-0.1 -2,-0.4 3,-0.1 0.378 360.0 360.0 -29.2 360.0 48.8 13.5 -11.8 125 ! 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 0.0 126 128 A V 0 0 102 0, 0.0 -2,-1.3 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 115.9 44.9 11.1 -10.7 127 129 A A E -G 123 0C 28 -4,-0.2 2,-0.6 -3,-0.1 -4,-0.2 -0.303 360.0-152.6 -61.6 135.7 43.5 14.4 -9.5 128 130 A Q E -G 122 0C 130 -6,-3.7 -6,-1.9 -2,-0.0 2,-0.2 -0.961 17.7-144.1-113.1 119.2 45.4 16.3 -6.9 129 131 A Y E -G 121 0C 112 -2,-0.6 -8,-0.2 -8,-0.2 -10,-0.0 -0.481 15.7-171.4 -89.4 152.3 43.2 18.5 -4.8 130 132 A R E -G 120 0C 144 -10,-2.7 -10,-2.4 -2,-0.2 2,-0.2 -0.993 20.4-128.4-143.6 132.5 44.0 21.9 -3.3 131 133 A P E -G 119 0C 56 0, 0.0 -12,-0.3 0, 0.0 41,-0.2 -0.533 11.7-164.3 -80.1 148.7 42.0 23.9 -0.8 132 134 A L + 0 0 44 -14,-1.8 2,-0.5 40,-0.5 -13,-0.2 0.402 58.1 96.8-113.5 -1.5 41.2 27.5 -1.7 133 135 A L + 0 0 5 39,-1.8 2,-0.4 -15,-0.5 3,-0.1 -0.768 50.7 179.7 -94.0 128.8 40.2 28.9 1.7 134 136 A R + 0 0 221 -2,-0.5 3,-0.1 1,-0.1 40,-0.1 -0.975 52.2 16.2-133.0 146.3 42.8 30.7 3.8 135 137 A G S S+ 0 0 75 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.601 86.4 125.9 79.4 15.3 42.9 32.4 7.1 136 138 A K - 0 0 24 37,-0.2 40,-0.6 -3,-0.1 39,-0.3 -0.787 39.0-164.1-110.8 150.0 39.7 30.9 8.5 137 139 A R E -cd 89 176A 62 -49,-2.0 -47,-2.3 -2,-0.3 2,-0.4 -0.842 9.1-147.4-120.4 163.0 39.0 29.1 11.7 138 140 A A E -cd 90 177A 3 38,-2.4 40,-2.4 -2,-0.3 2,-0.5 -0.993 6.1-162.2-135.8 141.6 36.0 27.0 12.7 139 141 A L E -cd 91 178A 7 -49,-3.1 -47,-2.9 -2,-0.4 2,-0.6 -0.990 9.9-161.5-121.5 123.2 34.2 26.4 16.0 140 142 A I E -cd 92 179A 0 38,-3.3 40,-2.8 -2,-0.5 2,-0.6 -0.917 4.2-170.6-108.6 114.7 31.9 23.4 16.2 141 143 A V E +cd 93 180A 0 -49,-2.8 -47,-2.4 -2,-0.6 2,-0.3 -0.906 18.2 175.8-103.3 114.9 29.4 23.4 19.0 142 144 A T E -cd 94 181A 0 38,-2.4 40,-1.6 -2,-0.6 2,-0.4 -0.869 20.7-157.0-124.6 156.0 27.6 20.1 19.2 143 145 A S E -cd 95 182A 15 -49,-1.4 -47,-1.9 -2,-0.3 2,-0.3 -0.977 10.2-169.4-129.7 141.8 25.1 18.3 21.4 144 146 A R - 0 0 10 38,-2.4 -47,-0.1 -2,-0.4 -2,-0.0 -0.974 22.8-149.8-134.5 146.5 24.5 14.6 21.9 145 147 A G S S+ 0 0 62 -2,-0.3 -1,-0.1 -49,-0.3 2,-0.1 0.823 86.8 39.8 -82.0 -37.6 21.9 12.6 23.6 146 148 A G S S- 0 0 15 38,-0.1 38,-2.9 37,-0.1 2,-0.3 -0.089 83.7-117.2 -96.2-161.8 24.1 9.7 24.6 147 149 A H S S+ 0 0 116 36,-0.2 8,-0.1 37,-0.1 -2,-0.1 -0.896 73.3 51.1-139.5 166.9 27.7 9.6 25.8 148 150 A G + 0 0 11 -2,-0.3 7,-1.4 6,-0.1 -1,-0.1 0.619 65.1 118.5 84.6 15.2 31.1 8.4 24.9 149 151 A F + 0 0 16 5,-0.1 10,-0.1 -3,-0.1 3,-0.1 0.559 55.9 86.8 -89.7 -6.5 31.4 9.9 21.5 150 152 A G S > S- 0 0 15 1,-0.2 3,-2.3 2,-0.1 6,-0.1 -0.225 97.2 -54.1 -86.1 176.5 34.3 12.1 22.3 151 153 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.206 128.4 10.8 -55.1 135.8 38.0 11.3 22.2 152 154 A G T 3 S+ 0 0 78 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.1 0.493 101.3 143.2 72.6 3.2 39.0 8.3 24.2 153 155 A G X - 0 0 22 -3,-2.3 3,-1.2 1,-0.1 -1,-0.2 -0.307 63.9-118.8 -76.0 159.3 35.3 7.6 24.5 154 156 A E T 3 S+ 0 0 155 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.886 115.4 36.4 -59.4 -44.0 33.7 4.2 24.4 155 157 A N T > S+ 0 0 36 -7,-1.4 3,-1.3 1,-0.2 4,-0.3 -0.013 79.9 124.1-102.4 25.5 31.7 5.0 21.3 156 158 A Q G X + 0 0 98 -3,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.845 68.3 56.4 -56.2 -40.3 34.3 7.1 19.6 157 159 A A G 3 S+ 0 0 91 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.660 99.0 62.5 -71.5 -15.5 34.4 5.1 16.4 158 160 A M G < S+ 0 0 72 -3,-1.3 2,-0.7 211,-0.1 -1,-0.3 0.543 78.0 107.9 -81.7 -10.8 30.7 5.6 15.9 159 161 A N < + 0 0 7 -3,-1.5 -59,-0.1 -4,-0.3 -60,-0.0 -0.609 25.6 150.3 -78.6 109.2 31.1 9.3 15.6 160 162 A H + 0 0 16 -61,-1.7 -59,-0.3 -2,-0.7 -1,-0.2 0.030 58.8 74.8-122.0 21.7 30.6 10.5 12.1 161 163 A A S > S+ 0 0 0 -61,-0.3 4,-1.8 3,-0.1 3,-0.3 0.809 106.5 14.4 -95.5 -85.9 29.3 13.9 13.0 162 164 A D H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.829 127.0 54.5 -65.5 -31.6 32.1 16.2 14.1 163 165 A P H > S+ 0 0 42 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.858 110.0 48.3 -69.9 -30.6 34.9 14.1 12.9 164 166 A W H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.864 107.6 55.0 -73.2 -37.0 33.4 14.1 9.4 165 167 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.873 105.9 52.7 -63.4 -37.6 32.9 17.9 9.5 166 168 A R H X S+ 0 0 112 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.921 108.2 50.6 -61.2 -47.9 36.6 18.4 10.2 167 169 A T H X S+ 0 0 37 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.912 115.7 41.6 -57.0 -46.7 37.5 16.2 7.3 168 170 A A H X S+ 0 0 2 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.871 114.7 48.4 -72.4 -41.6 35.3 18.2 5.0 169 171 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.9 0.894 110.7 55.1 -63.9 -37.8 36.1 21.6 6.3 170 172 A G H ><5S+ 0 0 27 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.806 97.4 62.5 -64.2 -32.2 39.7 20.6 6.0 171 173 A F H 3<5S+ 0 0 46 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.739 107.8 43.7 -66.4 -24.5 39.4 19.8 2.4 172 174 A I T <<5S- 0 0 0 -3,-0.9 -39,-1.8 -4,-0.7 -40,-0.5 0.442 131.4 -88.0-102.1 -1.9 38.5 23.3 1.6 173 175 A G T < 5S+ 0 0 11 -3,-0.7 2,-1.2 -4,-0.4 -37,-0.2 0.373 87.3 123.4 118.0 -5.0 41.1 24.9 3.8 174 176 A I < + 0 0 2 -5,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.699 20.3 145.4 -91.4 92.2 39.7 25.2 7.2 175 177 A D + 0 0 126 -2,-1.2 2,-0.9 -39,-0.3 -1,-0.2 0.548 46.6 84.0-110.3 -0.5 42.0 23.3 9.4 176 178 A E E +d 137 0A 127 -40,-0.6 -38,-2.4 -3,-0.2 2,-0.4 -0.871 64.4 160.0 -95.7 104.7 42.0 25.3 12.7 177 179 A V E -d 138 0A 15 -2,-0.9 2,-0.4 -40,-0.2 -38,-0.2 -0.991 25.4-166.0-135.0 127.8 38.9 23.7 14.1 178 180 A T E -d 139 0A 51 -40,-2.4 -38,-3.3 -2,-0.4 2,-0.5 -0.929 7.6-154.5-114.0 133.5 37.7 23.5 17.7 179 181 A V E -d 140 0A 39 -2,-0.4 2,-0.5 -40,-0.2 -38,-0.2 -0.928 8.3-173.5-111.4 123.9 35.0 21.2 19.0 180 182 A V E -d 141 0A 8 -40,-2.8 -38,-2.4 -2,-0.5 2,-0.4 -0.963 17.7-171.1-114.9 117.1 32.9 21.9 22.1 181 183 A A E -d 142 0A 37 -2,-0.5 2,-0.5 -40,-0.2 -38,-0.2 -0.869 21.9-168.0-118.5 143.7 30.7 19.1 23.1 182 184 A A E -d 143 0A 0 -40,-1.6 -38,-2.4 -2,-0.4 2,-0.1 -0.993 22.7-179.2-124.5 122.5 27.8 18.5 25.5 183 185 A E 0 0 40 -2,-0.5 -36,-0.2 -40,-0.2 7,-0.2 -0.404 360.0 360.0-111.0-173.0 26.8 14.9 26.0 184 186 A G 0 0 52 -38,-2.9 -39,-0.2 -2,-0.1 -38,-0.1 0.641 360.0 360.0 55.6 360.0 24.3 12.8 28.0 185 ! 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 0.0 186 193 A S > 0 0 126 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 7.0 24.3 15.9 34.8 187 194 A F H > + 0 0 60 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.722 360.0 59.3 -85.7 -27.1 23.6 16.8 31.2 188 195 A E H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.793 102.3 52.3 -65.2 -29.2 23.4 20.2 32.9 189 196 A D H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.947 108.2 48.2 -72.6 -48.3 26.9 19.7 34.0 190 197 A S H X S+ 0 0 29 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.860 115.0 48.7 -58.9 -34.3 28.2 18.9 30.5 191 198 A C H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.871 109.6 48.7 -74.0 -40.6 26.3 22.0 29.4 192 199 A D H X S+ 0 0 85 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.891 113.2 49.7 -68.7 -35.2 27.6 24.3 32.1 193 200 A E H X S+ 0 0 127 -4,-2.8 4,-2.3 2,-0.2 3,-0.3 0.961 111.4 47.0 -63.5 -51.2 31.1 23.1 31.3 194 201 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.862 110.5 54.4 -57.3 -38.0 30.7 23.7 27.6 195 202 A E H X S+ 0 0 49 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.862 108.1 48.5 -67.4 -34.9 29.3 27.0 28.3 196 203 A Q H X S+ 0 0 109 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.872 109.5 52.4 -71.6 -38.1 32.3 28.0 30.4 197 204 A R H X S+ 0 0 130 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.863 110.9 48.4 -63.9 -36.7 34.7 26.8 27.6 198 205 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.876 107.2 53.2 -73.5 -39.5 32.8 28.9 25.1 199 206 A L H X S+ 0 0 66 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.932 111.4 49.0 -59.3 -44.0 32.9 32.0 27.3 200 207 A A H < S+ 0 0 56 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.903 110.7 48.9 -60.4 -44.9 36.6 31.5 27.5 201 208 A L H >< S+ 0 0 33 -4,-1.8 3,-0.7 1,-0.2 4,-0.5 0.820 108.0 54.9 -68.5 -30.4 37.0 31.1 23.8 202 209 A A H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.852 103.7 55.0 -69.7 -34.3 35.0 34.2 23.1 203 210 A R T 3< S+ 0 0 225 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.562 115.1 38.1 -77.1 -7.2 37.2 36.4 25.3 204 211 A S T < 0 0 93 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.313 360.0 360.0-128.4 6.9 40.3 35.4 23.4 205 212 A A < 0 0 46 -3,-0.6 -3,-0.1 -4,-0.5 -4,-0.0 -0.138 360.0 360.0-100.9 360.0 39.5 35.1 19.7 206 !* 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 0.0 207 2 B S 0 0 65 0, 0.0 35,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -9.4 13.1 -12.7 -1.6 208 3 B R E -h 242 0D 104 33,-0.2 86,-3.2 2,-0.0 87,-2.2 -0.991 360.0-168.0-127.4 123.0 11.9 -9.2 -0.9 209 4 B I E -hi 243 295D 3 33,-2.3 35,-2.8 -2,-0.5 2,-0.6 -0.921 17.0-163.0-118.2 135.1 14.1 -6.4 -1.7 210 5 B L E -hi 244 296D 0 85,-2.2 87,-3.0 -2,-0.4 2,-0.6 -0.974 16.8-161.5-110.0 123.2 14.0 -2.7 -0.8 211 6 B A E -hi 245 297D 0 33,-2.9 35,-2.9 -2,-0.6 2,-0.6 -0.930 3.6-166.1-111.5 113.4 16.2 -0.8 -3.1 212 7 B V E -hi 246 298D 0 85,-3.6 87,-2.8 -2,-0.6 2,-0.5 -0.877 3.1-163.2-102.2 116.9 17.3 2.7 -1.9 213 8 B H E +hi 247 299D 3 33,-1.6 35,-2.3 -2,-0.6 36,-1.1 -0.882 12.3 174.9-103.7 121.0 18.8 4.9 -4.6 214 9 B A + 0 0 0 85,-1.8 96,-0.2 -2,-0.5 97,-0.2 0.597 43.8 99.2-103.4 -16.1 20.7 7.9 -3.3 215 10 B S - 0 0 3 1,-0.1 34,-0.3 84,-0.1 35,-0.2 -0.539 61.4-145.6 -77.6 140.1 22.3 9.6 -6.3 216 11 B P S S+ 0 0 5 0, 0.0 -164,-0.5 0, 0.0 2,-0.2 0.610 77.0 90.9 -77.3 -13.0 20.6 12.6 -7.8 217 12 B R - 0 0 85 1,-0.1 -2,-0.1 -166,-0.1 33,-0.1 -0.536 58.4-164.5 -85.5 151.6 21.8 11.4 -11.2 218 13 B G S > S+ 0 0 13 -2,-0.2 3,-1.0 32,-0.0 -1,-0.1 0.762 75.5 2.2 -97.1 -96.6 19.7 9.2 -13.5 219 14 B E T 3 S+ 0 0 159 1,-0.2 6,-0.1 5,-0.1 -2,-0.1 0.799 131.4 55.4 -66.8 -31.9 21.4 7.4 -16.4 220 15 B R T 3 S+ 0 0 147 4,-0.0 2,-0.3 5,-0.0 -1,-0.2 0.531 80.3 112.0 -82.0 -4.5 24.8 8.8 -15.6 221 16 B S <> - 0 0 2 -3,-1.0 4,-1.2 1,-0.2 5,-0.1 -0.547 45.8-171.3 -72.9 128.3 24.7 7.4 -12.1 222 17 B Q H > S+ 0 0 66 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.862 86.9 52.6 -84.9 -39.9 27.3 4.7 -11.7 223 18 B S H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.890 111.4 47.7 -62.3 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