==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAR-05 1Z41 . COMPND 2 MOLECULE: PROBABLE NADH-DEPENDENT FLAVIN OXIDOREDUCTASE YQJ . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.KITZING,T.B.FITZPATRICK,C.WILKEN,J.SAWA,G.P.BOURENKOV,P.MA . 674 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 0.3 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 . 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 . 47 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 2 2 0 2 2 0 2 2 3 0 1 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 3 3 4 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 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 2 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 A 0 0 123 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 175.2 -16.1 53.5 33.5 2 3 A R > - 0 0 97 1,-0.1 3,-1.2 3,-0.1 321,-0.0 -0.495 360.0-125.8 -75.4 145.4 -12.6 54.1 34.7 3 4 A K G > S+ 0 0 64 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.863 108.7 65.0 -60.9 -34.1 -10.9 57.2 33.1 4 5 A L G 3 S+ 0 0 0 1,-0.3 14,-2.9 13,-0.1 15,-0.3 0.793 109.2 40.0 -58.6 -26.1 -8.0 54.9 32.0 5 6 A F G < S+ 0 0 27 -3,-1.2 -1,-0.3 12,-0.2 -2,-0.2 0.081 92.8 106.3-112.9 26.3 -10.4 53.2 29.7 6 7 A T S < S- 0 0 47 -3,-2.0 9,-0.0 -5,-0.1 -3,-0.0 -0.813 72.8-112.6-101.3 140.9 -12.4 56.3 28.6 7 8 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.199 26.4-164.7 -70.5 164.4 -11.8 57.5 25.0 8 9 A I E -A 15 0A 29 7,-1.6 7,-3.0 9,-0.2 2,-0.5 -0.978 9.2-145.8-148.2 138.4 -10.1 60.8 24.0 9 10 A T E -A 14 0A 87 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.938 13.7-178.0-111.0 127.7 -10.2 62.5 20.7 10 11 A I E > -A 13 0A 18 3,-2.8 3,-2.5 -2,-0.5 2,-0.2 -0.985 69.3 -41.8-124.1 115.8 -7.2 64.5 19.4 11 12 A K T 3 S- 0 0 102 -2,-0.5 198,-0.1 1,-0.3 197,-0.0 -0.468 126.4 -26.3 61.1-128.2 -7.7 66.2 16.1 12 13 A D T 3 S+ 0 0 167 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.318 119.5 101.1 -98.6 12.8 -9.6 63.5 14.1 13 14 A X E < -A 10 0A 11 -3,-2.5 -3,-2.8 145,-0.1 2,-0.6 -0.839 52.5-164.2-104.1 123.1 -8.1 60.6 16.0 14 15 A T E -A 9 0A 64 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.901 6.2-156.3-106.5 123.5 -10.0 58.8 18.8 15 16 A L E -A 8 0A 1 -7,-3.0 -7,-1.6 -2,-0.6 39,-0.1 -0.815 10.8-145.4 -93.3 135.7 -8.0 56.6 21.2 16 17 A K S S+ 0 0 77 -2,-0.4 2,-0.3 37,-0.3 -1,-0.1 0.669 80.2 5.8 -77.2 -19.7 -10.1 53.9 22.8 17 18 A N S S- 0 0 7 2,-0.2 -12,-0.2 -9,-0.1 -9,-0.2 -0.900 76.7-109.6-149.4 176.9 -8.2 54.1 26.1 18 19 A R S S+ 0 0 20 -14,-2.9 285,-2.9 -2,-0.3 2,-0.5 0.238 76.0 115.0-100.0 13.8 -5.5 56.3 27.7 19 20 A I E -b 303 0B 1 -15,-0.3 35,-1.6 32,-0.2 34,-0.6 -0.737 42.5-174.7 -88.6 126.5 -2.7 53.7 27.6 20 21 A V E -bc 304 54B 0 283,-2.6 285,-2.9 -2,-0.5 2,-0.8 -0.973 26.2-131.6-121.7 133.2 0.2 54.5 25.4 21 22 A X E -bc 305 55B 2 33,-2.7 35,-2.0 -2,-0.4 285,-0.2 -0.769 34.6-130.2 -82.0 114.2 3.2 52.2 24.6 22 23 A S - 0 0 6 283,-2.4 36,-0.1 -2,-0.8 2,-0.1 -0.328 30.5 -92.8 -65.0 143.0 6.1 54.6 25.1 23 24 A P + 0 0 12 0, 0.0 2,-0.4 0, 0.0 34,-0.2 -0.373 51.5 177.9 -61.2 130.0 8.7 54.6 22.3 24 25 A X - 0 0 31 32,-0.4 34,-0.4 -3,-0.1 -3,-0.0 -0.916 26.8-126.8-141.9 115.3 11.5 52.1 23.0 25 26 A C - 0 0 20 -2,-0.4 47,-0.1 1,-0.1 35,-0.1 -0.298 16.0-169.2 -58.8 139.3 14.4 51.3 20.8 26 27 A X - 0 0 4 45,-0.1 -1,-0.1 645,-0.0 46,-0.1 0.507 20.7-144.6-107.2 -9.7 14.9 47.7 20.0 27 28 A Y + 0 0 81 1,-0.1 45,-0.2 42,-0.1 43,-0.1 0.859 62.5 124.3 44.4 44.6 18.4 47.9 18.4 28 29 A S + 0 0 12 43,-0.4 2,-2.1 1,-0.1 44,-0.2 0.276 18.1 110.1-119.2 9.0 17.2 45.1 16.1 29 30 A S > + 0 0 0 42,-2.7 3,-2.1 1,-0.2 5,-0.3 -0.566 45.0 176.0 -84.1 76.2 17.6 46.4 12.5 30 31 A H T 3 + 0 0 86 -2,-2.1 -1,-0.2 1,-0.3 42,-0.1 0.668 69.2 62.3 -61.6 -21.3 20.5 43.9 12.0 31 32 A E T 3 S- 0 0 136 4,-0.2 -1,-0.3 -3,-0.1 40,-0.1 0.451 104.4-129.5 -83.3 2.7 21.1 44.7 8.4 32 33 A K S < S+ 0 0 99 -3,-2.1 -2,-0.1 3,-0.1 39,-0.1 0.716 80.5 108.9 58.0 27.5 22.0 48.2 9.5 33 34 A D S S- 0 0 58 2,-0.1 -1,-0.1 -4,-0.1 3,-0.1 0.238 91.0-111.3-114.2 8.5 19.7 49.8 6.9 34 35 A G S S+ 0 0 1 -5,-0.3 40,-2.5 36,-0.3 2,-0.1 0.493 71.4 139.2 73.5 4.5 17.0 51.1 9.3 35 36 A K - 0 0 77 38,-0.2 -1,-0.2 1,-0.1 -4,-0.2 -0.431 55.4-103.4 -84.7 157.1 14.4 48.5 8.1 36 37 A L - 0 0 36 44,-0.1 -1,-0.1 -2,-0.1 48,-0.0 -0.313 32.7-160.5 -71.6 157.6 11.9 46.5 10.0 37 38 A T > - 0 0 16 -2,-0.0 4,-1.8 1,-0.0 3,-0.4 -0.850 37.7 -96.5-132.4 167.3 12.4 42.9 10.8 38 39 A P H > S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.863 122.9 60.0 -56.2 -34.7 10.0 40.1 11.9 39 40 A F H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.941 104.3 48.4 -59.0 -46.1 11.0 40.7 15.5 40 41 A H H > S+ 0 0 0 -3,-0.4 4,-2.6 1,-0.2 5,-0.3 0.911 110.3 52.6 -61.2 -41.4 9.8 44.3 15.3 41 42 A X H X S+ 0 0 35 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.947 113.9 40.8 -61.0 -49.0 6.5 43.2 13.8 42 43 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.913 113.7 55.7 -66.1 -41.1 5.7 40.7 16.5 43 44 A H H X S+ 0 0 0 -4,-2.8 4,-0.7 -5,-0.3 -2,-0.2 0.943 117.6 31.9 -54.4 -54.0 7.0 43.0 19.2 44 45 A Y H >X S+ 0 0 1 -4,-2.6 4,-1.0 -5,-0.2 3,-0.8 0.932 117.6 52.7 -74.0 -45.8 4.6 45.9 18.2 45 46 A I H >X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.3 3,-0.6 0.860 100.9 62.3 -62.9 -34.0 1.6 43.9 17.0 46 47 A S H 3X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.3 0.864 101.8 50.6 -62.2 -31.9 1.5 41.9 20.1 47 48 A R H <<>S+ 0 0 1 -3,-0.8 5,-2.2 -4,-0.7 -1,-0.3 0.757 108.7 53.1 -76.3 -21.4 0.7 45.0 22.2 48 49 A A H X<5S+ 0 0 0 -4,-1.0 3,-1.8 -3,-0.6 -2,-0.2 0.890 108.6 47.5 -74.7 -43.4 -2.0 45.9 19.7 49 50 A I H 3<5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.911 108.0 60.9 -57.9 -37.8 -3.5 42.4 20.2 50 51 A G T 3<5S- 0 0 0 -4,-1.9 266,-0.4 -5,-0.3 267,-0.3 0.369 118.6-114.7 -70.4 1.4 -3.0 43.4 23.9 51 52 A Q T < 5 + 0 0 15 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.658 52.1 164.8 75.0 20.5 -5.4 46.4 23.5 52 53 A V < - 0 0 0 -5,-2.2 45,-0.2 261,-0.2 -1,-0.2 -0.505 35.6-138.8 -66.5 131.7 -3.0 49.3 24.1 53 54 A G S S+ 0 0 2 -34,-0.6 44,-2.1 1,-0.2 2,-0.4 0.883 82.8 13.8 -61.3 -40.1 -4.8 52.4 22.8 54 55 A L E -cd 20 97B 0 -35,-1.6 -33,-2.7 42,-0.2 2,-0.5 -0.984 64.8-160.6-143.5 126.0 -1.8 54.0 21.1 55 56 A I E -cd 21 98B 0 42,-2.2 44,-3.0 -2,-0.4 2,-0.7 -0.940 8.7-158.2-108.5 120.1 1.5 52.3 20.2 56 57 A I E - d 0 99B 1 -35,-2.0 -32,-0.4 -2,-0.5 44,-0.2 -0.899 17.8-132.3-100.9 116.9 4.4 54.7 19.5 57 58 A V E - d 0 100B 0 42,-3.0 44,-1.4 -2,-0.7 3,-0.2 -0.419 35.8 -90.9 -66.1 141.8 7.2 53.2 17.4 58 59 A E E - 0 0 0 -34,-0.4 43,-0.4 1,-0.2 -1,-0.1 0.086 63.7 -56.9 -46.8 158.6 10.7 53.7 18.7 59 60 A A E - 0 0 4 41,-0.1 2,-0.5 43,-0.1 14,-0.5 -0.148 58.9-163.8 -43.6 117.7 13.0 56.6 17.8 60 61 A S E - d 0 102B 0 41,-2.9 43,-2.5 -3,-0.2 14,-0.3 -0.954 19.3-120.0-117.9 117.9 13.3 56.4 14.0 61 62 A A E -ed 74 103B 2 12,-2.0 14,-2.8 -2,-0.5 15,-0.4 -0.315 13.6-160.2 -65.7 132.2 16.2 58.4 12.5 62 63 A V S S+ 0 0 2 41,-2.4 -1,-0.1 1,-0.2 42,-0.1 0.557 88.0 24.4 -84.6 -10.3 15.5 61.2 10.0 63 64 A N S > S- 0 0 22 40,-0.3 3,-2.4 1,-0.1 -1,-0.2 -0.972 84.3-121.2-148.8 139.9 19.1 60.9 8.7 64 65 A P G > S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 0.859 114.6 53.6 -56.2 -33.0 21.4 57.8 8.9 65 66 A Q G 3 S+ 0 0 38 1,-0.3 51,-0.4 -3,-0.0 46,-0.1 0.427 98.7 66.7 -84.0 8.9 24.0 59.7 10.9 66 67 A G G < S+ 0 0 2 -3,-2.4 39,-2.9 37,-0.1 -1,-0.3 0.249 75.4 115.3-104.4 5.2 21.3 60.7 13.3 67 68 A R < - 0 0 26 -3,-1.3 43,-0.2 37,-0.2 3,-0.1 -0.463 64.7-142.5 -71.1 152.0 20.8 57.1 14.5 68 69 A I S S+ 0 0 10 1,-0.3 42,-2.9 41,-0.2 2,-0.3 0.904 88.3 3.2 -78.0 -46.9 21.7 56.3 18.1 69 70 A T S > S- 0 0 19 40,-0.2 3,-1.8 -3,-0.1 -1,-0.3 -0.913 78.6-109.3-133.6 162.9 23.1 52.9 16.9 70 71 A D T 3 S+ 0 0 43 40,-0.4 -36,-0.3 -2,-0.3 41,-0.1 0.539 117.1 60.2 -72.2 0.3 23.6 51.3 13.6 71 72 A Q T 3 S+ 0 0 56 -39,-0.1 -42,-2.7 -38,-0.1 -43,-0.4 0.201 82.5 117.9-106.9 13.4 20.8 48.8 14.5 72 73 A D S < S- 0 0 2 -3,-1.8 -38,-0.3 -45,-0.2 2,-0.1 -0.389 71.3-104.9 -76.8 155.9 18.2 51.6 14.9 73 74 A L - 0 0 0 -14,-0.5 -12,-2.0 -2,-0.1 2,-0.3 -0.454 40.5-156.2 -72.0 154.3 15.0 51.9 12.8 74 75 A G B -e 61 0B 0 -40,-2.5 -12,-0.2 -14,-0.3 -38,-0.1 -0.888 32.5-178.6-131.7 162.3 15.1 54.6 10.2 75 76 A I + 0 0 2 -14,-2.8 76,-0.2 -2,-0.3 -13,-0.1 -0.007 59.1 106.8-144.6 29.2 12.7 56.8 8.2 76 77 A W S S+ 0 0 56 -15,-0.4 2,-0.3 75,-0.1 -14,-0.1 0.534 75.0 53.8 -86.8 -7.1 15.2 58.7 6.2 77 78 A S S > S- 0 0 31 1,-0.1 3,-1.9 -14,-0.1 4,-0.3 -0.950 77.2-128.2-132.0 149.7 14.4 56.9 2.9 78 79 A D T >> S+ 0 0 109 -2,-0.3 3,-1.3 1,-0.3 4,-0.5 0.739 107.8 73.5 -64.8 -18.3 11.4 56.2 0.8 79 80 A E H 3> S+ 0 0 130 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.731 88.3 61.2 -65.7 -20.4 12.5 52.5 1.0 80 81 A H H <> S+ 0 0 9 -3,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.665 87.1 76.8 -79.6 -15.8 11.4 52.5 4.7 81 82 A I H <> S+ 0 0 18 -3,-1.3 4,-2.7 -4,-0.3 5,-0.2 0.912 85.7 56.1 -62.2 -47.8 7.8 53.2 3.7 82 83 A E H X S+ 0 0 142 -4,-0.5 4,-1.5 -3,-0.2 -1,-0.2 0.910 110.0 45.6 -53.1 -48.9 6.8 49.8 2.5 83 84 A G H X S+ 0 0 23 -4,-0.5 4,-2.1 1,-0.2 3,-0.3 0.936 114.1 47.7 -63.2 -46.7 7.7 48.1 5.8 84 85 A F H X S+ 0 0 4 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.858 106.3 58.9 -63.7 -33.1 6.0 50.8 7.9 85 86 A A H X S+ 0 0 36 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.878 107.5 46.7 -63.7 -36.7 2.9 50.6 5.8 86 87 A K H X S+ 0 0 109 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.918 113.2 49.3 -68.8 -43.2 2.6 46.9 6.7 87 88 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.930 111.4 47.2 -63.2 -46.8 3.1 47.6 10.3 88 89 A T H X S+ 0 0 6 -4,-3.0 4,-2.5 67,-0.3 5,-0.2 0.928 112.6 50.4 -62.9 -40.8 0.6 50.4 10.6 89 90 A E H X S+ 0 0 118 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.919 113.4 45.2 -62.6 -42.8 -2.0 48.3 8.8 90 91 A Q H X S+ 0 0 27 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.882 113.2 48.8 -71.3 -36.7 -1.5 45.3 11.0 91 92 A V H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-0.6 0.945 113.3 47.2 -67.9 -43.7 -1.5 47.3 14.3 92 93 A K H ><5S+ 0 0 82 -4,-2.5 3,-1.5 -5,-0.3 -2,-0.2 0.846 104.9 61.0 -66.8 -32.5 -4.7 49.1 13.3 93 94 A E H 3<5S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.847 101.6 53.4 -62.0 -32.3 -6.3 45.8 12.3 94 95 A Q T <<5S- 0 0 36 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.509 128.8 -97.7 -81.5 -3.5 -5.9 44.6 15.9 95 96 A G T < 5S+ 0 0 30 -3,-1.5 2,-0.2 1,-0.3 -79,-0.2 0.497 83.4 113.6 104.9 5.7 -7.7 47.8 17.1 96 97 A S < - 0 0 2 -5,-1.6 -1,-0.3 -81,-0.1 2,-0.3 -0.635 59.1-126.2-107.1 163.7 -5.0 50.2 18.1 97 98 A K E -d 54 0B 65 -44,-2.1 -42,-2.2 -45,-0.2 2,-0.4 -0.716 29.8-147.9 -97.6 161.1 -3.8 53.6 16.8 98 99 A I E +d 55 0B 0 -2,-0.3 60,-2.7 -44,-0.2 61,-1.3 -0.983 17.2 178.8-138.5 142.1 -0.1 53.9 15.9 99 100 A G E -df 56 159B 0 -44,-3.0 -42,-3.0 -2,-0.4 2,-0.4 -0.835 16.1-139.9-130.9 173.1 2.5 56.7 16.0 100 101 A I E -df 57 160B 0 59,-1.5 61,-2.8 -2,-0.3 2,-0.7 -0.995 12.6-134.2-137.2 140.2 6.1 57.1 15.2 101 102 A Q E - f 0 161B 5 -44,-1.4 -41,-2.9 -43,-0.4 2,-0.5 -0.867 19.1-148.4 -96.9 113.9 8.8 59.1 17.0 102 103 A L E +df 60 162B 0 59,-3.0 61,-2.7 -2,-0.7 2,-0.3 -0.709 30.7 177.2 -82.0 129.9 11.0 61.1 14.6 103 104 A A E -d 61 0B 7 -43,-2.5 -41,-2.4 -2,-0.5 -40,-0.3 -0.858 37.2-173.4-140.3 160.9 14.5 61.4 15.9 104 105 A H - 0 0 5 59,-0.3 65,-2.6 -2,-0.3 66,-0.4 -0.857 17.7-153.6-151.0 118.3 18.1 62.6 15.5 105 106 A A > - 0 0 1 -39,-2.9 3,-2.3 -2,-0.3 4,-0.1 0.584 24.7-177.4 -71.4 -14.5 20.7 61.5 18.1 106 107 A G G > S- 0 0 0 1,-0.3 3,-1.7 2,-0.2 10,-0.3 -0.200 70.1 -2.7 53.9-132.3 23.0 64.4 17.6 107 108 A R G 3 S+ 0 0 6 1,-0.3 16,-0.4 60,-0.2 -1,-0.3 0.566 131.0 64.8 -70.9 -6.6 26.1 64.2 19.8 108 109 A K G < S+ 0 0 36 -3,-2.3 2,-0.3 59,-0.2 -1,-0.3 0.332 70.4 123.2 -96.9 8.1 24.8 60.9 21.3 109 110 A A < - 0 0 9 -3,-1.7 2,-0.8 7,-0.2 -41,-0.2 -0.544 53.3-152.4 -69.6 130.1 25.0 59.0 18.1 110 111 A E + 0 0 140 -42,-2.9 -40,-0.4 -2,-0.3 2,-0.3 -0.569 52.1 121.8-102.9 64.2 27.2 56.0 18.5 111 112 A L - 0 0 20 -2,-0.8 2,-0.2 2,-0.2 -46,-0.0 -0.836 66.7-104.4-124.4 162.4 28.3 55.7 14.9 112 113 A E S S+ 0 0 126 -2,-0.3 2,-0.1 2,-0.0 -2,-0.0 -0.556 85.5 33.1 -82.8 148.7 31.6 55.8 13.1 113 114 A G S S- 0 0 60 -2,-0.2 -2,-0.2 2,-0.0 0, 0.0 -0.204 109.6 -24.2 93.8 172.1 32.4 59.0 11.3 114 115 A D - 0 0 110 -2,-0.1 2,-0.3 16,-0.1 -2,-0.0 -0.259 59.3-161.0 -58.4 139.7 31.6 62.6 12.1 115 116 A I - 0 0 7 14,-0.3 16,-3.2 -8,-0.1 2,-0.3 -0.854 14.3-126.9-118.6 159.4 28.5 63.1 14.4 116 117 A F E +k 131 0C 39 -51,-0.4 -7,-0.2 -10,-0.3 16,-0.2 -0.762 31.5 150.3-120.0 155.7 26.7 66.4 14.7 117 118 A A E -k 132 0C 1 14,-1.8 16,-2.5 -2,-0.3 3,-0.1 -0.968 56.4 -96.4-163.8 168.4 25.4 68.9 17.3 118 119 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 61,-0.1 0.872 110.7 15.1 -64.8 -31.5 24.7 72.6 17.8 119 120 A S S S- 0 0 5 59,-0.4 2,-2.1 2,-0.2 62,-0.0 -0.965 86.5-103.3-141.1 153.6 28.2 73.0 19.3 120 121 A A S S+ 0 0 60 -2,-0.3 2,-0.4 9,-0.1 11,-0.1 -0.476 73.6 126.6 -78.3 71.9 31.4 71.0 19.5 121 122 A I - 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0 0 0 -4,-2.1 4,-1.7 -5,-0.1 3,-1.2 -0.685 67.2-147.5 -91.8 134.3 19.7 73.7 26.4 176 177 A P T 34 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.699 98.3 66.9 -64.5 -20.5 22.4 76.4 27.3 177 178 A L T 34 S+ 0 0 46 1,-0.2 3,-0.1 44,-0.1 47,-0.1 0.804 116.8 22.2 -70.1 -28.3 24.6 73.6 28.6 178 179 A S T <4 S+ 0 0 2 -3,-1.2 2,-0.6 -6,-0.3 -59,-0.4 0.539 113.7 71.4-114.7 -13.2 25.0 72.1 25.1 179 180 A N < + 0 0 7 -4,-1.7 8,-0.3 -61,-0.1 -1,-0.1 -0.926 39.2 153.0-114.7 106.7 24.3 75.1 22.8 180 181 A H + 0 0 125 -2,-0.6 6,-0.1 6,-0.1 -1,-0.1 -0.029 29.8 148.5-116.4 24.9 26.9 77.8 22.7 181 182 A R - 0 0 15 4,-0.2 -62,-0.1 1,-0.1 -2,-0.1 -0.261 40.0-157.6 -66.6 149.1 26.1 79.0 19.2 182 183 A T + 0 0 150 5,-0.1 2,-0.1 3,-0.1 -1,-0.1 0.089 68.5 74.7-111.9 18.4 26.5 82.6 18.1 183 184 A D S > S- 0 0 49 8,-0.0 3,-1.8 4,-0.0 8,-0.0 -0.386 108.6 -64.8-113.6-163.2 24.0 82.5 15.2 184 185 A E T 3 S+ 0 0 74 1,-0.3 10,-0.2 -2,-0.1 -3,-0.0 0.596 128.3 59.8 -63.0 -11.4 20.2 82.5 15.0 185 186 A Y T 3 S+ 0 0 0 9,-0.1 2,-0.3 -67,-0.1 -1,-0.3 0.315 103.1 53.0-101.3 9.3 20.1 79.1 16.6 186 187 A G S < S+ 0 0 4 -3,-1.8 2,-0.7 -6,-0.1 -6,-0.1 -0.950 81.7 36.1-141.7 162.2 21.8 80.0 19.9 187 188 A G S S+ 0 0 51 -2,-0.3 -8,-0.1 -8,-0.3 -3,-0.1 -0.882 93.3 48.1 111.8-108.7 21.6 82.5 22.8 188 189 A S S > S- 0 0 48 -2,-0.7 4,-2.8 1,-0.1 5,-0.2 -0.130 89.7-104.6 -65.3 164.2 18.2 83.6 24.0 189 190 A P H > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.890 123.8 56.3 -61.4 -33.5 15.4 81.1 24.7 190 191 A E H > S+ 0 0 104 2,-0.2 4,-0.9 1,-0.2 -3,-0.1 0.936 110.9 42.3 -62.1 -45.2 13.8 82.3 21.4 191 192 A N H 4 S+ 0 0 36 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.909 114.2 50.7 -69.5 -39.6 17.0 81.4 19.5 192 193 A R H < S+ 0 0 21 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.821 113.0 46.8 -67.5 -29.5 17.5 78.1 21.3 193 194 A Y H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.636 89.6 90.9 -83.5 -13.9 13.9 77.2 20.6 194 195 A R H X S+ 0 0 68 -4,-0.9 4,-2.8 -3,-0.4 5,-0.2 0.841 80.7 53.7 -54.5 -42.8 14.2 78.2 16.9 195 196 A F H > S+ 0 0 0 -4,-0.5 4,-2.3 -3,-0.3 -1,-0.2 0.962 114.3 42.1 -57.0 -50.5 15.3 74.8 15.6 196 197 A L H > S+ 0 0 0 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.909 112.2 55.6 -64.1 -39.4 12.2 73.1 17.2 197 198 A R H X S+ 0 0 70 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.928 110.2 45.0 -58.0 -45.9 10.0 76.0 16.0 198 199 A E H X S+ 0 0 47 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.872 111.3 52.9 -67.9 -37.9 11.1 75.5 12.4 199 200 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.951 111.0 46.9 -61.7 -48.3 10.7 71.7 12.6 200 201 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.941 114.1 47.0 -59.9 -46.4 7.1 72.1 13.9 201 202 A D H < S+ 0 0 74 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.904 115.4 45.0 -63.8 -40.8 6.2 74.6 11.3 202 203 A E H >X S+ 0 0 48 -4,-2.5 3,-1.2 2,-0.2 4,-0.5 0.906 111.0 52.1 -71.1 -40.8 7.7 72.6 8.4 203 204 A V H >X S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 4,-1.7 0.916 104.5 59.2 -60.7 -39.8 6.2 69.3 9.6 204 205 A K H 3< S+ 0 0 47 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.702 94.0 65.7 -63.6 -15.7 2.8 71.1 9.7 205 206 A Q H <4 S+ 0 0 141 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.721 117.7 23.8 -76.7 -20.5 3.2 71.8 6.0 206 207 A V H << S+ 0 0 41 -3,-1.8 2,-0.4 -4,-0.5 -2,-0.2 0.476 123.9 51.6-121.0 -5.5 3.0 68.1 5.2 207 208 A W < + 0 0 16 -4,-1.7 -1,-0.2 -5,-0.1 -57,-0.1 -0.950 43.4 168.9-142.7 116.0 1.1 66.8 8.3 208 209 A D + 0 0 123 -2,-0.4 3,-0.1 -3,-0.1 -1,-0.1 0.546 54.5 85.2 -97.5 -8.8 -2.1 67.9 9.8 209 210 A G S S- 0 0 18 1,-0.2 -198,-0.1 -198,-0.1 -50,-0.1 0.040 93.5 -28.9 -82.2-160.6 -3.0 65.2 12.2 210 211 A P - 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0 0 2 -2,-0.1 -6,-2.6 -3,-0.1 -5,-0.5 -0.471 51.0-179.9 -77.2 148.5 17.0 73.8 31.7 226 227 A D >> - 0 0 78 -8,-0.2 4,-1.7 -2,-0.1 3,-0.6 -0.789 48.4 -78.9-135.6-177.0 14.3 73.3 34.4 227 228 A I H 3> S+ 0 0 30 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.854 125.6 59.2 -58.7 -34.0 10.6 73.0 34.5 228 229 A A H 3> S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 105.5 49.9 -60.3 -40.8 10.1 76.8 34.3 229 230 A D H <> S+ 0 0 53 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.919 112.0 48.5 -62.7 -41.4 12.0 76.8 31.0 230 231 A H H X S+ 0 0 2 -4,-1.7 4,-2.3 -13,-0.3 -1,-0.2 0.785 104.6 56.3 -72.5 -26.8 9.8 74.0 29.6 231 232 A I H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.909 109.2 50.4 -67.9 -38.9 6.6 75.7 30.6 232 233 A G H X S+ 0 0 28 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.941 111.8 44.9 -62.4 -46.6 7.8 78.6 28.5 233 234 A F H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.880 109.6 57.9 -64.4 -36.2 8.6 76.3 25.5 234 235 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.871 102.2 53.1 -62.5 -38.2 5.2 74.6 26.0 235 236 A K H X S+ 0 0 101 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.892 110.6 47.5 -65.0 -38.1 3.3 77.9 25.7 236 237 A W H X S+ 0 0 59 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.910 110.9 51.8 -69.1 -37.3 5.1 78.5 22.3 237 238 A X H <>S+ 0 0 2 -4,-2.5 5,-2.3 1,-0.2 4,-0.5 0.899 106.3 53.7 -65.2 -38.9 4.4 74.9 21.2 238 239 A K H ><5S+ 0 0 88 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.930 106.9 52.0 -60.6 -43.8 0.7 75.4 22.0 239 240 A E H 3<5S+ 0 0 147 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 108.4 52.4 -60.4 -33.9 0.7 78.6 19.8 240 241 A Q T 3<5S- 0 0 18 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.495 123.6-102.2 -81.2 -6.0 2.2 76.5 17.0 241 242 A G T < 5 + 0 0 24 -3,-1.4 2,-0.3 -4,-0.5 -30,-0.2 0.712 61.1 159.4 95.7 19.5 -0.4 73.8 17.2 242 243 A V < - 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