==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-OCT-09 3KEG . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.-J.WANG,N.LAURIERI,A.ABUHAMMAD,E.LOWE,I.WESTWOOD,A.RYAN, . 398 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 3.8 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 . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 42 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 31.2 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+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 1 2 0 0 2 4 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 3 2 3 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 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 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 61 0, 0.0 35,-0.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.8 -13.8 12.5 -1.0 2 3 A R E -a 36 0A 107 33,-0.2 86,-3.0 35,-0.0 87,-2.1 -0.834 360.0-154.6 -91.7 130.6 -11.9 9.2 -0.9 3 4 A I E -ab 37 89A 3 33,-2.7 35,-2.7 -2,-0.5 2,-0.6 -0.906 17.0-162.6-115.8 133.3 -14.3 6.4 -1.7 4 5 A L E -ab 38 90A 1 85,-2.3 87,-3.0 -2,-0.4 2,-0.7 -0.968 14.1-163.4-107.4 118.5 -14.2 2.7 -0.9 5 6 A A E -ab 39 91A 0 33,-3.2 35,-3.0 -2,-0.6 2,-0.6 -0.896 3.3-168.4-106.5 111.8 -16.4 0.7 -3.1 6 7 A V E -ab 40 92A 0 85,-2.9 87,-2.4 -2,-0.7 2,-0.5 -0.886 5.9-160.8-101.6 115.2 -17.2 -2.8 -1.9 7 8 A H E +ab 41 93A 3 33,-1.6 35,-2.6 -2,-0.6 36,-0.8 -0.847 14.7 174.2-101.1 124.9 -18.9 -5.0 -4.6 8 9 A A + 0 0 0 85,-2.3 96,-0.2 -2,-0.5 97,-0.2 0.604 43.2 102.6-109.2 -15.6 -20.8 -8.0 -3.3 9 10 A S - 0 0 2 84,-0.2 35,-0.3 1,-0.1 34,-0.3 -0.522 60.0-148.2 -71.7 136.0 -22.5 -9.6 -6.3 10 11 A P S S+ 0 0 5 0, 0.0 237,-0.5 0, 0.0 2,-0.2 0.680 76.7 89.7 -71.2 -19.2 -20.8 -12.7 -7.7 11 12 A R - 0 0 87 1,-0.1 33,-0.1 235,-0.1 -2,-0.1 -0.476 61.1-162.0 -82.4 151.3 -22.0 -11.6 -11.2 12 13 A G S > S+ 0 0 12 -2,-0.2 3,-1.4 32,-0.0 7,-0.2 0.724 76.8 1.0 -95.1-102.3 -19.9 -9.4 -13.4 13 14 A E T 3 S+ 0 0 159 1,-0.3 6,-0.1 5,-0.1 -2,-0.1 0.831 131.6 57.7 -59.7 -33.6 -21.6 -7.6 -16.3 14 15 A R T 3 S+ 0 0 168 4,-0.0 2,-0.6 5,-0.0 -1,-0.3 0.563 78.5 111.6 -76.3 -8.8 -25.0 -9.0 -15.4 15 16 A S <> - 0 0 1 -3,-1.4 4,-2.0 1,-0.2 5,-0.1 -0.552 47.0-170.8 -72.3 116.0 -24.9 -7.6 -11.9 16 17 A Q H > S+ 0 0 70 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.865 88.7 49.8 -70.2 -37.7 -27.5 -4.8 -11.6 17 18 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 112.7 46.6 -70.1 -38.8 -26.2 -3.7 -8.2 18 19 A R H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.931 114.2 48.5 -63.8 -47.2 -22.6 -3.6 -9.5 19 20 A R H X S+ 0 0 104 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.933 112.1 47.7 -59.5 -49.3 -23.8 -1.7 -12.6 20 21 A L H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.897 111.5 50.7 -60.6 -42.3 -25.8 0.8 -10.6 21 22 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.846 109.8 50.2 -65.4 -34.5 -23.0 1.4 -8.1 22 23 A E H X S+ 0 0 55 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.775 104.6 57.7 -76.0 -27.3 -20.5 2.0 -11.0 23 24 A V H X S+ 0 0 32 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.917 110.2 45.3 -63.4 -43.1 -23.0 4.5 -12.5 24 25 A F H X S+ 0 0 7 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.912 112.7 49.9 -64.1 -44.7 -22.8 6.4 -9.2 25 26 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.869 112.5 45.8 -66.7 -38.9 -19.0 6.2 -9.1 26 27 A A H X S+ 0 0 50 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.904 115.2 47.5 -69.5 -41.8 -18.4 7.4 -12.6 27 28 A A H X S+ 0 0 18 -4,-1.9 4,-1.5 -5,-0.2 3,-0.3 0.898 112.6 49.3 -64.6 -41.5 -20.9 10.3 -12.1 28 29 A Y H X S+ 0 0 12 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.891 106.4 56.3 -65.9 -40.2 -19.3 11.1 -8.8 29 30 A R H < S+ 0 0 91 -4,-2.0 6,-0.2 1,-0.2 -1,-0.2 0.798 105.0 53.9 -60.8 -29.5 -15.8 11.1 -10.4 30 31 A E H < S+ 0 0 163 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.866 110.3 44.0 -75.4 -36.7 -17.1 13.7 -12.9 31 32 A A H < S+ 0 0 48 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.595 126.6 34.6 -81.2 -11.9 -18.3 16.1 -10.2 32 33 A H S >< S- 0 0 66 -4,-1.1 3,-1.8 -5,-0.2 -1,-0.3 -0.651 70.1-180.0-144.4 83.4 -15.0 15.5 -8.3 33 34 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.648 81.1 49.0 -63.5 -23.3 -12.1 15.0 -10.7 34 35 A Q T 3 S+ 0 0 163 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.258 82.8 127.9-104.7 14.0 -9.4 14.5 -8.1 35 36 A A < - 0 0 8 -3,-1.8 2,-0.4 -6,-0.2 -33,-0.2 -0.302 52.1-139.3 -60.1 150.2 -11.4 11.9 -6.2 36 37 A R E -a 2 0A 174 -35,-0.8 -33,-2.7 2,-0.0 2,-0.4 -0.957 14.8-164.1-113.7 135.2 -9.7 8.6 -5.4 37 38 A V E -a 3 0A 27 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.976 5.7-169.5-119.9 132.1 -11.6 5.3 -5.6 38 39 A A E -a 4 0A 41 -35,-2.7 -33,-3.2 -2,-0.4 2,-0.5 -0.978 12.6-152.2-114.3 132.9 -10.5 2.0 -4.1 39 40 A R E -a 5 0A 127 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.918 8.3-168.9-109.6 129.7 -12.5 -1.1 -5.1 40 41 A R E -a 6 0A 49 -35,-3.0 -33,-1.6 -2,-0.5 2,-0.6 -0.947 12.5-150.5-118.1 110.6 -12.8 -4.1 -2.8 41 42 A E E +a 7 0A 45 -2,-0.5 -33,-0.1 -35,-0.2 -35,-0.1 -0.693 32.7 152.9 -85.0 119.9 -14.2 -7.2 -4.5 42 43 A V S S+ 0 0 2 -35,-2.6 5,-0.2 -2,-0.6 -34,-0.2 0.288 70.2 52.5-124.9 5.6 -16.1 -9.5 -2.1 43 44 A G S S+ 0 0 15 -36,-0.8 -35,-0.1 -34,-0.3 61,-0.1 0.828 112.0 34.6-104.7 -51.4 -18.5 -11.1 -4.6 44 45 A R S S+ 0 0 139 -35,-0.3 -36,-0.1 -37,-0.2 203,-0.1 0.505 120.4 53.5 -86.1 -5.9 -16.5 -12.5 -7.5 45 46 A V S S- 0 0 78 201,-0.0 2,-0.2 0, 0.0 -1,-0.0 -0.977 92.0-105.7-131.3 143.4 -13.6 -13.4 -5.2 46 47 A P - 0 0 116 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.445 24.9-159.7 -70.2 135.9 -13.6 -15.6 -2.1 47 48 A L - 0 0 23 -5,-0.2 60,-0.1 -2,-0.2 61,-0.1 -0.976 27.7-114.8-108.6 129.1 -13.2 -13.9 1.3 48 49 A P - 0 0 72 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.327 29.1-124.2 -60.0 139.4 -12.0 -16.1 4.1 49 50 A A - 0 0 38 1,-0.1 2,-0.2 248,-0.0 58,-0.1 -0.429 38.4 -84.1 -75.5 158.6 -14.5 -16.7 6.9 50 51 A V - 0 0 12 -2,-0.1 2,-0.2 4,-0.1 249,-0.1 -0.471 53.3-163.6 -61.3 130.7 -13.6 -15.9 10.5 51 52 A T > - 0 0 69 -2,-0.2 4,-2.1 22,-0.1 5,-0.1 -0.597 36.0-102.1-111.1 173.9 -11.8 -18.9 12.0 52 53 A E H > S+ 0 0 64 153,-0.5 4,-2.2 1,-0.2 5,-0.1 0.853 125.7 55.3 -65.0 -32.5 -11.1 -19.9 15.6 53 54 A A H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 105.8 51.0 -65.4 -41.3 -7.5 -18.6 14.9 54 55 A F H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 110.0 50.5 -59.2 -44.7 -9.0 -15.3 13.9 55 56 A V H X S+ 0 0 29 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.903 108.9 50.4 -61.8 -43.2 -11.0 -15.1 17.1 56 57 A A H < S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 117.5 39.8 -66.2 -36.0 -8.1 -15.9 19.3 57 58 A A H >< S+ 0 0 0 -4,-1.8 3,-1.2 2,-0.2 -2,-0.2 0.918 115.3 49.8 -77.7 -45.5 -6.0 -13.2 17.7 58 59 A A H 3< S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.824 119.4 37.0 -67.4 -32.9 -8.7 -10.5 17.3 59 60 A F T 3< S+ 0 0 113 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.094 80.7 146.9-108.3 21.3 -9.8 -10.8 20.9 60 61 A H < - 0 0 32 -3,-1.2 -3,-0.1 1,-0.2 6,-0.1 -0.387 47.7-140.9 -54.3 127.7 -6.4 -11.3 22.4 61 62 A P S S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.675 99.7 34.2 -72.0 -19.0 -6.4 -9.7 25.8 62 63 A Q S > S+ 0 0 92 1,-0.1 3,-2.4 2,-0.0 4,-0.1 -0.641 73.5 175.7-133.0 72.7 -2.9 -8.3 25.3 63 64 A P G > S+ 0 0 57 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.685 73.4 69.6 -55.7 -26.6 -2.8 -7.6 21.6 64 65 A E G 3 S+ 0 0 146 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.637 97.4 54.8 -68.0 -13.4 0.7 -6.1 21.8 65 66 A Q G < S+ 0 0 114 -3,-2.4 -1,-0.3 2,-0.0 0, 0.0 0.345 76.1 137.6-100.9 3.4 1.9 -9.6 22.5 66 67 A R < - 0 0 49 -3,-1.5 -9,-0.0 -4,-0.1 2,-0.0 -0.227 52.7-124.4 -53.2 135.6 0.4 -11.3 19.4 67 68 A S > - 0 0 56 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.259 25.5-103.2 -72.6 168.1 2.8 -13.7 17.8 68 69 A L H > S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.859 123.5 54.6 -59.8 -37.4 3.8 -13.5 14.1 69 70 A A H > S+ 0 0 65 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.893 108.1 48.5 -65.4 -40.2 1.4 -16.3 13.3 70 71 A M H > S+ 0 0 56 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.886 108.7 53.1 -65.9 -40.7 -1.5 -14.4 14.9 71 72 A Q H < S+ 0 0 97 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.853 106.8 54.0 -63.4 -33.8 -0.6 -11.3 13.0 72 73 A A H >< S+ 0 0 64 -4,-1.7 3,-1.0 1,-0.2 4,-0.5 0.855 102.9 56.0 -67.2 -35.7 -0.7 -13.3 9.8 73 74 A D H 3< S+ 0 0 71 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.749 114.9 40.0 -66.5 -23.2 -4.2 -14.5 10.8 74 75 A L T 3X S+ 0 0 2 -4,-1.0 4,-2.6 -3,-0.3 -1,-0.2 0.290 87.0 100.2-106.9 7.6 -5.2 -10.8 11.0 75 76 A A H <> S+ 0 0 53 -3,-1.0 4,-1.9 2,-0.2 -2,-0.1 0.945 86.4 41.9 -62.3 -51.1 -3.2 -9.6 7.9 76 77 A L H > S+ 0 0 49 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.926 114.0 54.0 -61.0 -44.8 -6.2 -9.5 5.5 77 78 A S H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.907 106.9 50.8 -55.2 -45.6 -8.4 -8.0 8.2 78 79 A D H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.886 111.1 49.5 -60.6 -40.1 -5.9 -5.2 8.8 79 80 A Q H X S+ 0 0 113 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.926 112.4 46.1 -63.8 -46.6 -5.8 -4.5 5.1 80 81 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.904 113.8 48.8 -64.9 -42.5 -9.6 -4.4 4.8 81 82 A V H X S+ 0 0 8 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.883 107.6 56.5 -63.2 -39.6 -9.9 -2.2 7.9 82 83 A G H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.889 103.1 53.1 -59.9 -42.4 -7.2 0.1 6.5 83 84 A E H < S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.0 47.7 -60.3 -37.7 -9.2 0.7 3.3 84 85 A L H >< S+ 0 0 0 -4,-1.3 3,-1.3 1,-0.2 -2,-0.2 0.900 110.9 50.3 -70.4 -42.4 -12.2 1.7 5.4 85 86 A F H 3< S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.863 109.0 52.7 -62.0 -36.5 -10.1 4.0 7.6 86 87 A D T 3< S+ 0 0 104 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.3 0.382 100.4 83.0 -83.8 4.6 -8.7 5.7 4.5 87 88 A S < - 0 0 2 -3,-1.3 -84,-0.2 1,-0.1 3,-0.1 -0.782 50.4-170.7-112.4 153.0 -12.1 6.4 3.1 88 89 A D S S+ 0 0 42 -86,-3.0 45,-2.2 1,-0.3 2,-0.5 0.741 84.5 38.2-101.4 -40.1 -14.7 9.1 3.6 89 90 A L E -bc 3 133A 6 -87,-2.1 -85,-2.3 43,-0.2 2,-0.5 -0.963 69.2-159.0-119.4 123.0 -17.5 7.5 1.7 90 91 A L E -bc 4 134A 0 43,-2.8 45,-2.8 -2,-0.5 2,-0.6 -0.889 7.4-168.0 -99.9 123.4 -18.2 3.8 1.7 91 92 A V E -bc 5 135A 0 -87,-3.0 -85,-2.9 -2,-0.5 2,-0.5 -0.954 4.3-174.6-114.2 116.6 -20.2 2.4 -1.2 92 93 A I E -bc 6 136A 0 43,-2.3 45,-2.9 -2,-0.6 2,-0.5 -0.944 5.1-168.0-111.8 121.9 -21.5 -1.1 -0.9 93 94 A S E +bc 7 137A 1 -87,-2.4 -85,-2.3 -2,-0.5 -84,-0.2 -0.922 22.0 157.4-105.5 135.3 -23.3 -2.8 -3.8 94 95 A T E - c 0 138A 0 43,-2.4 45,-1.2 -2,-0.5 2,-0.1 -0.982 35.8-132.8-158.3 140.9 -25.1 -6.0 -3.0 95 96 A P E - c 0 139A 11 0, 0.0 2,-0.7 0, 0.0 45,-0.2 -0.448 36.4-109.3 -75.2 162.3 -27.9 -8.3 -4.2 96 97 A M - 0 0 25 43,-1.5 2,-0.6 5,-0.1 45,-0.3 -0.910 37.9-171.0 -91.6 115.4 -30.5 -9.7 -1.7 97 98 A Y B > -E 100 0B 39 3,-2.3 3,-1.3 -2,-0.7 208,-0.1 -0.936 68.7 -26.9-109.7 112.4 -29.7 -13.4 -1.4 98 99 A N T 3 S- 0 0 36 -2,-0.6 -1,-0.2 1,-0.3 266,-0.1 0.916 125.3 -49.2 47.6 52.9 -32.3 -15.3 0.6 99 100 A F T 3 S+ 0 0 21 1,-0.3 57,-1.8 -3,-0.1 -1,-0.3 0.606 133.5 55.5 67.4 15.4 -33.4 -12.3 2.6 100 101 A S B < S-E 97 0B 1 -3,-1.3 -3,-2.3 55,-0.1 57,-0.3 -0.642 95.7 -69.3-144.3-154.1 -29.9 -11.3 3.5 101 102 A V - 0 0 0 55,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.729 58.2 -82.0-105.3 158.8 -26.6 -10.5 1.7 102 103 A P >> - 0 0 6 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.234 46.4-111.9 -53.0 150.7 -24.3 -12.9 -0.2 103 104 A S H 3> S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.758 114.1 64.7 -63.0 -26.3 -22.0 -14.8 2.2 104 105 A G H 3> S+ 0 0 10 -96,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.856 102.3 47.6 -64.1 -36.6 -18.9 -12.9 0.9 105 106 A L H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.855 108.7 53.9 -74.1 -36.1 -20.2 -9.6 2.2 106 107 A K H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.914 109.1 50.3 -59.1 -42.1 -21.0 -11.2 5.6 107 108 A A H X S+ 0 0 1 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.862 106.9 54.1 -65.7 -36.8 -17.4 -12.3 5.6 108 109 A W H >X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 3,-1.0 0.956 109.4 47.3 -60.6 -51.0 -16.2 -8.8 4.8 109 110 A I H 3X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.3 3,-0.3 0.906 108.5 55.8 -54.8 -43.6 -18.1 -7.4 7.7 110 111 A D H 3< S+ 0 0 3 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.706 109.3 47.6 -66.8 -20.0 -16.8 -10.1 10.0 111 112 A Q H << S+ 0 0 7 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.780 113.4 45.4 -85.9 -30.3 -13.2 -9.1 9.0 112 113 A I H < S+ 0 0 0 -4,-1.6 2,-1.0 -3,-0.3 -2,-0.2 0.571 88.0 85.4-100.1 -9.9 -13.7 -5.3 9.5 113 114 A V < + 0 0 10 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.1 -0.815 66.1 169.6 -87.3 101.8 -15.5 -5.3 12.9 114 115 A R >>> - 0 0 4 -2,-1.0 4,-2.4 -37,-0.0 3,-2.1 -0.963 37.4-118.0-129.3 124.1 -12.4 -5.4 15.1 115 116 A L B 345S+f 119 0C 31 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.323 101.5 10.2 -58.6 133.6 -12.0 -5.0 18.8 116 117 A G T 345S+ 0 0 43 3,-2.4 -1,-0.3 1,-0.1 4,-0.2 0.438 129.6 59.1 75.9 0.4 -9.8 -2.0 19.7 117 118 A V T <45S+ 0 0 46 -3,-2.1 -2,-0.2 2,-0.7 3,-0.1 0.701 122.2 5.5-124.9 -54.9 -9.8 -0.9 16.1 118 119 A T T <5S+ 0 0 0 -4,-2.4 10,-1.9 1,-0.3 11,-0.7 0.444 138.4 16.6-113.3 -6.0 -13.3 -0.1 14.7 119 120 A F E < -fG 115 127C 8 -5,-1.4 -3,-2.4 8,-0.3 -2,-0.7 -0.961 66.4-165.0-156.3 156.3 -15.0 -0.6 18.1 120 121 A D E - G 0 126C 52 6,-2.3 6,-2.3 -2,-0.3 2,-0.4 -0.852 11.9-134.3-134.7 168.7 -13.9 -0.8 21.7 121 122 A F E G 0 125C 118 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.988 360.0 360.0-138.8 135.6 -15.5 -1.9 25.0 122 123 A V 0 0 139 2,-3.0 3,-0.1 -2,-0.4 -1,-0.1 0.330 360.0 360.0-136.2 360.0 -15.7 -0.5 28.5 123 ! 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 0.0 124 130 A Q 0 0 182 0, 0.0 -2,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 118.1 -20.5 -0.6 26.9 125 131 A F E -G 121 0C 119 -4,-0.2 -4,-0.2 -3,-0.1 -6,-0.0 -0.680 360.0-168.8 -88.5 149.0 -19.4 -1.0 23.3 126 132 A R E -G 120 0C 108 -6,-2.3 -6,-2.3 -2,-0.3 41,-0.1 -1.000 21.3-113.5-144.6 142.6 -18.5 2.1 21.4 127 133 A P E -G 119 0C 40 0, 0.0 -8,-0.3 0, 0.0 42,-0.2 -0.351 17.6-170.8 -72.9 150.8 -17.8 2.9 17.8 128 134 A L + 0 0 39 -10,-1.9 2,-0.5 40,-0.7 -9,-0.2 0.466 60.6 91.3-118.4 -10.4 -14.3 4.1 16.7 129 135 A L + 0 0 2 39,-2.3 2,-0.3 -11,-0.7 3,-0.1 -0.773 54.0 170.6 -87.5 126.4 -15.1 5.1 13.1 130 136 A R + 0 0 152 -2,-0.5 3,-0.1 1,-0.1 40,-0.1 -0.990 49.1 29.1-137.8 148.1 -16.0 8.7 12.7 131 137 A G S S+ 0 0 72 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.593 86.7 123.0 88.6 13.8 -16.6 11.2 9.8 132 138 A K - 0 0 21 37,-0.2 40,-0.5 -3,-0.1 2,-0.3 -0.768 41.8-162.5-111.8 152.2 -17.8 8.5 7.3 133 139 A R E -c 89 0A 87 -45,-2.2 -43,-2.8 -2,-0.3 2,-0.4 -0.872 9.4-150.2-121.4 159.6 -20.9 8.1 5.3 134 140 A A E -cd 90 173A 3 38,-2.5 40,-2.2 -2,-0.3 2,-0.5 -0.995 7.4-163.8-133.8 143.5 -22.2 5.0 3.5 135 141 A L E -cd 91 174A 8 -45,-2.8 -43,-2.3 -2,-0.4 2,-0.6 -0.989 10.8-160.0-122.2 118.8 -24.3 4.4 0.4 136 142 A I E -cd 92 175A 0 38,-3.1 40,-2.7 -2,-0.5 2,-0.7 -0.895 4.3-169.4-103.1 117.2 -25.8 1.0 -0.0 137 143 A V E +cd 93 176A 0 -45,-2.9 -43,-2.4 -2,-0.6 2,-0.3 -0.923 18.9 169.4-105.9 112.3 -26.9 0.1 -3.6 138 144 A T E -cd 94 177A 0 38,-2.1 40,-2.1 -2,-0.7 2,-0.4 -0.922 21.0-161.1-127.1 148.4 -29.0 -3.1 -3.5 139 145 A S E -cd 95 178A 16 -45,-1.2 -43,-1.5 -2,-0.3 2,-0.3 -0.966 9.4-169.8-126.1 147.6 -31.1 -5.0 -6.1 140 146 A R - 0 0 12 38,-2.5 40,-0.3 -2,-0.4 -43,-0.1 -0.972 26.7-138.6-136.3 147.2 -33.8 -7.6 -5.3 141 147 A G S S+ 0 0 70 -2,-0.3 -1,-0.1 -45,-0.3 38,-0.0 0.872 88.4 45.0 -69.3 -38.0 -35.7 -10.0 -7.5 142 148 A G S S- 0 0 23 37,-0.1 38,-1.6 1,-0.1 2,-0.3 -0.090 82.2-108.8 -98.5-166.1 -39.0 -9.3 -5.7 143 149 A H S S+ 0 0 96 36,-0.2 -1,-0.1 1,-0.1 8,-0.1 -0.841 77.0 37.0-126.3 159.5 -40.9 -6.3 -4.4 144 150 A G + 0 0 18 -2,-0.3 7,-2.4 6,-0.1 8,-0.3 0.690 65.8 121.0 81.2 23.0 -41.9 -4.7 -1.1 145 151 A F + 0 0 18 -3,-0.2 10,-0.1 5,-0.1 3,-0.1 0.536 57.6 85.4 -93.2 -6.5 -38.7 -5.2 1.0 146 152 A G S > S- 0 0 14 1,-0.2 3,-2.3 2,-0.1 6,-0.2 -0.194 98.2 -50.5 -86.5 179.9 -38.2 -1.4 1.5 147 153 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.234 129.7 9.2 -53.2 133.2 -39.6 0.9 4.1 148 154 A G T 3 S+ 0 0 76 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.1 0.462 101.7 146.1 74.2 0.7 -43.4 0.6 4.4 149 155 A G X - 0 0 22 -3,-2.3 3,-1.3 1,-0.1 -1,-0.3 -0.305 62.5-119.9 -75.0 156.0 -43.1 -2.4 2.2 150 156 A E T 3 S+ 0 0 180 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.781 115.5 32.3 -63.6 -31.2 -45.4 -5.4 2.4 151 157 A N T > S+ 0 0 41 -7,-2.4 3,-2.0 1,-0.1 4,-0.5 0.071 79.8 123.5-114.2 20.1 -42.4 -7.7 3.0 152 158 A Q G X + 0 0 95 -3,-1.3 3,-1.2 1,-0.3 -1,-0.1 0.800 69.5 59.9 -55.4 -33.0 -40.2 -5.2 5.0 153 159 A A G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.683 99.1 58.2 -72.6 -17.0 -39.9 -7.5 8.0 154 160 A M G < S+ 0 0 70 -3,-2.0 2,-1.0 209,-0.1 -1,-0.3 0.582 81.3 104.8 -84.1 -11.9 -38.3 -10.2 5.8 155 161 A N < + 0 0 6 -3,-1.2 -55,-0.1 -4,-0.5 -56,-0.0 -0.613 27.3 151.3 -80.7 103.7 -35.5 -7.8 4.8 156 162 A H + 0 0 17 -57,-1.8 -55,-0.3 -2,-1.0 -1,-0.2 -0.022 57.2 79.8-115.3 26.3 -32.3 -8.8 6.7 157 163 A A S > S+ 0 0 0 -57,-0.3 4,-1.7 3,-0.1 -56,-0.2 0.860 105.8 9.8 -94.0 -82.7 -30.0 -7.5 4.0 158 164 A D H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.832 127.6 57.3 -75.0 -32.5 -29.5 -3.7 4.1 159 165 A P H > S+ 0 0 37 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.889 109.2 47.0 -64.2 -34.6 -31.3 -3.2 7.4 160 166 A W H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 107.8 55.9 -68.5 -39.5 -28.7 -5.6 8.9 161 167 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.879 104.5 54.5 -58.5 -38.0 -25.9 -3.7 7.2 162 168 A R H X S+ 0 0 110 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.913 108.3 48.9 -59.7 -44.7 -27.2 -0.6 8.9 163 169 A T H X S+ 0 0 32 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.925 115.1 42.5 -63.1 -47.0 -26.9 -2.3 12.3 164 170 A A H X S+ 0 0 2 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.907 116.8 46.6 -69.1 -43.3 -23.4 -3.6 11.8 165 171 A L H X>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.2 4,-0.6 0.872 110.8 54.2 -65.3 -36.9 -22.1 -0.4 10.2 166 172 A G H ><5S+ 0 0 28 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.2 0.861 100.1 61.5 -64.6 -36.5 -23.8 1.6 13.0 167 173 A F H 3<5S+ 0 0 47 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.6 41.6 -57.9 -38.1 -21.9 -0.5 15.6 168 174 A I H 3<5S- 0 0 1 -4,-1.0 -39,-2.3 -3,-0.4 -40,-0.7 0.444 130.3 -89.5 -96.6 -1.0 -18.6 0.6 14.3 169 175 A G T <<5S+ 0 0 10 -3,-0.8 2,-1.2 -4,-0.6 -38,-0.2 0.329 88.1 121.2 118.8 -6.9 -19.6 4.3 13.9 170 176 A I < + 0 0 1 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.720 22.7 146.3 -88.7 91.8 -21.0 4.6 10.4 171 177 A D + 0 0 122 -2,-1.2 2,-1.0 -39,-0.3 -1,-0.2 0.379 46.0 86.7-109.8 0.8 -24.6 5.9 11.1 172 178 A E + 0 0 120 -40,-0.5 -38,-2.5 -3,-0.1 2,-0.4 -0.797 63.0 158.0 -98.4 90.3 -25.1 8.2 8.1 173 179 A V E -d 134 0A 17 -2,-1.0 2,-0.4 -40,-0.2 -38,-0.2 -0.950 27.4-167.7-125.7 133.7 -26.4 5.6 5.6 174 180 A T E -d 135 0A 53 -40,-2.2 -38,-3.1 -2,-0.4 2,-0.5 -0.966 9.2-156.5-118.4 132.1 -28.4 5.9 2.5 175 181 A V E -d 136 0A 37 -2,-0.4 2,-0.5 -40,-0.2 -38,-0.2 -0.938 7.4-172.4-111.9 125.0 -30.0 2.9 0.7 176 182 A V E -d 137 0A 9 -40,-2.7 -38,-2.1 -2,-0.5 2,-0.4 -0.972 16.6-168.1-113.0 118.3 -31.0 3.0 -3.0 177 183 A A E -d 138 0A 40 -2,-0.5 2,-0.5 -40,-0.2 -38,-0.2 -0.862 19.3-162.7-114.8 139.0 -32.9 -0.1 -4.0 178 184 A A E +d 139 0A 12 -40,-2.1 -38,-2.5 -2,-0.4 2,-0.2 -0.956 22.7 178.6-115.8 109.8 -33.9 -1.6 -7.3 179 185 A E 0 0 65 -2,-0.5 -36,-0.2 -40,-0.2 -38,-0.2 -0.611 360.0 360.0-105.5 166.9 -36.7 -4.1 -7.0 180 186 A G 0 0 58 -38,-1.6 -2,-0.1 -40,-0.3 -37,-0.0 -0.504 360.0 360.0 73.9 360.0 -38.6 -6.2 -9.6 181 ! 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 0.0 182 199 A D > 0 0 135 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 26.9 -34.5 3.6 -14.5 183 200 A E H > + 0 0 170 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 360.0 48.8 -67.3 -44.3 -35.6 5.3 -11.2 184 201 A A H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 109.7 53.1 -59.6 -47.2 -32.7 4.0 -9.2 185 202 A E H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 111.1 45.2 -56.1 -46.3 -30.2 5.1 -11.8 186 203 A Q H X S+ 0 0 99 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.885 111.1 53.9 -65.8 -39.8 -31.6 8.7 -11.8 187 204 A R H X S+ 0 0 125 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.895 110.3 47.7 -58.7 -41.5 -31.6 8.7 -8.0 188 205 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.868 107.9 53.7 -70.6 -38.8 -28.0 7.8 -8.0 189 206 A L H X S+ 0 0 41 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.919 109.5 49.4 -60.7 -43.4 -27.0 10.4 -10.5 190 207 A A H X S+ 0 0 45 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.889 110.1 51.3 -61.7 -40.7 -28.6 13.0 -8.3 191 208 A L H >< S+ 0 0 35 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.871 104.4 56.8 -64.9 -38.2 -26.8 11.7 -5.3 192 209 A A H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.748 99.8 59.9 -67.2 -23.4 -23.4 11.9 -7.1 193 210 A R H 3< 0 0 169 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.749 360.0 360.0 -79.1 -24.6 -24.0 15.6 -7.8 194 211 A S << 0 0 114 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.2 0.603 360.0 360.0-107.3 360.0 -24.1 16.2 -4.0 195 !* 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 0.0 196 2 B S 0 0 68 0, 0.0 2,-0.3 0, 0.0 86,-0.1 0.000 360.0 360.0 360.0 116.6 -36.9 -38.9 13.3 197 3 B R - 0 0 109 33,-0.1 86,-3.0 84,-0.1 87,-2.2 -0.600 360.0-147.7 -74.1 130.8 -33.8 -38.6 11.1 198 4 B I E -hi 232 284D 4 33,-2.9 35,-2.9 -2,-0.3 2,-0.5 -0.860 17.3-165.9-110.2 136.4 -31.7 -35.7 12.2 199 5 B L E -hi 233 285D 1 85,-2.3 87,-2.8 -2,-0.4 2,-0.6 -0.979 13.4-163.1-113.3 116.8 -29.4 -33.4 10.2 200 6 B A E -hi 234 286D 0 33,-3.2 35,-2.9 -2,-0.5 2,-0.6 -0.887 4.2-169.8-104.9 113.9 -27.1 -31.3 12.5 201 7 B V E -hi 235 287D 0 85,-2.7 87,-2.2 -2,-0.6 2,-0.5 -0.904 6.2-162.0-104.5 112.0 -25.5 -28.3 10.9 202 8 B H E +hi 236 288D 4 33,-1.3 35,-2.5 -2,-0.6 36,-0.8 -0.825 13.6 175.0 -98.0 127.7 -22.8 -26.7 13.1 203 9 B A + 0 0 0 85,-2.2 96,-0.2 -2,-0.5 97,-0.2 0.547 42.5 103.7-113.4 -11.1 -21.8 -23.1 12.2 204 10 B S - 0 0 3 84,-0.2 35,-0.3 1,-0.1 34,-0.3 -0.552 60.9-146.1 -72.9 137.8 -19.3 -22.0 14.9 205 11 B P S S+ 0 0 6 0, 0.0 -153,-0.5 0, 0.0 2,-0.2 0.690 78.5 87.4 -70.9 -20.4 -15.7 -22.0 13.8 206 12 B R - 0 0 54 1,-0.1 33,-0.1 -155,-0.1 -2,-0.1 -0.499 59.6-167.5 -84.2 151.6 -14.7 -23.0 17.3 207 13 B G S > S+ 0 0 12 -2,-0.2 3,-1.4 6,-0.0 7,-0.2 0.718 75.1 8.0-101.1 -99.1 -14.6 -26.7 18.4 208 14 B E T 3 S+ 0 0 195 1,-0.3 -2,-0.1 5,-0.1 6,-0.1 0.794 133.5 51.6 -57.1 -29.7 -14.3 -27.7 22.0 209 15 B R T 3 S+ 0 0 178 4,-0.0 2,-0.4 5,-0.0 -1,-0.3 0.542 80.2 111.7 -89.7 -8.5 -14.9 -24.1 23.1 210 16 B S <> - 0 0 1 -3,-1.4 4,-1.7 1,-0.2 5,-0.1 -0.535 47.3-168.0 -69.2 122.3 -18.0 -23.5 21.0 211 17 B Q H > S+ 0 0 41 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.852 88.6 50.9 -76.1 -37.9 -21.0 -23.1 23.3 212 18 B S H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.878 113.1 46.6 -68.8 -37.3 -23.5 -23.4 20.5 213 19 B R H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.937 113.4 48.6 -64.9 -49.2 -21.9 -26.6 19.3 214 20 B R H X S+ 0 0 83 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.904 111.9 48.4 -59.5 -44.6 -21.7 -28.0 22.9 215 21 B L H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.885 111.4 49.8 -66.0 -39.7 -25.3 -27.2 23.6 216 22 B A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.865 109.9 51.4 -65.5 -36.6 -26.5 -28.8 20.3 217 23 B E H X S+ 0 0 54 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.798 104.2 57.7 -71.7 -30.0 -24.4 -31.9 21.1 218 24 B V H X S+ 0 0 29 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.925 110.3 44.3 -60.9 -45.3 -26.1 -32.1 24.5 219 25 B F H X S+ 0 0 7 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.897 113.0 51.2 -64.5 -41.7 -29.4 -32.2 22.7 220 26 B L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.900 111.4 45.9 -67.4 -42.7 -28.1 -34.8 20.1 221 27 B A H X S+ 0 0 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