==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 04-APR-97 1AG9 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.M.HOOVER,M.L.LUDWIG . 350 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.7 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 2 1 0 0 0 4 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 6 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 . 0 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 60 0, 0.0 28,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 164.2 7.2 36.7 41.5 2 3 A I + 0 0 59 26,-0.3 46,-0.6 27,-0.2 45,-0.6 0.709 360.0 63.2 -75.1 -25.1 7.0 39.5 44.1 3 4 A T E -ab 30 48A 0 26,-2.0 28,-3.0 44,-0.1 2,-0.6 -0.914 66.1-164.4-106.5 125.4 6.6 42.2 41.5 4 5 A G E -ab 31 49A 0 44,-2.4 46,-2.1 -2,-0.5 2,-0.6 -0.938 4.6-159.3-111.7 116.4 3.5 42.3 39.3 5 6 A I E -ab 32 50A 0 26,-3.1 28,-2.8 -2,-0.6 2,-0.5 -0.855 9.6-173.9 -93.7 121.6 3.7 44.6 36.3 6 7 A F E +ab 33 51A 0 44,-2.6 46,-2.7 -2,-0.6 2,-0.3 -0.969 9.7 175.9-119.3 115.0 0.2 45.5 34.9 7 8 A F E -ab 34 52A 7 26,-2.5 28,-3.3 -2,-0.5 2,-0.4 -0.809 21.5-159.3-117.5 161.9 0.2 47.5 31.7 8 9 A G + 0 0 0 44,-1.2 2,-0.3 -2,-0.3 54,-0.1 -0.984 22.4 175.7-134.7 135.2 -2.5 48.8 29.4 9 10 A S - 0 0 18 -2,-0.4 -2,-0.0 1,-0.1 44,-0.0 -0.974 27.8-177.2-152.5 135.3 -1.5 49.6 25.8 10 11 A D S S+ 0 0 54 -2,-0.3 -1,-0.1 1,-0.0 46,-0.0 0.866 96.7 18.1 -93.2 -52.1 -3.2 50.7 22.6 11 12 A T S S- 0 0 96 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.213 111.2-105.3-107.6 14.0 -0.3 50.8 20.1 12 13 A G S > S+ 0 0 16 1,-0.0 4,-2.4 3,-0.0 5,-0.1 0.334 87.4 115.5 84.5 -3.8 2.1 48.6 22.1 13 14 A N H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.948 81.4 43.0 -65.0 -48.7 4.5 51.2 23.4 14 15 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.850 112.0 56.0 -66.0 -31.2 3.7 50.8 27.1 15 16 A E H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 106.3 51.5 -64.0 -42.4 3.7 47.0 26.6 16 17 A N H X S+ 0 0 70 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.940 110.1 48.1 -59.2 -47.4 7.2 47.4 25.2 17 18 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.901 107.8 55.9 -61.8 -37.9 8.2 49.4 28.3 18 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.897 108.8 47.2 -60.8 -41.9 6.6 46.7 30.6 19 20 A K H X S+ 0 0 93 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.855 108.8 53.9 -70.0 -34.4 8.8 44.0 29.0 20 21 A M H X S+ 0 0 71 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.927 110.2 48.2 -63.6 -45.9 12.0 46.1 29.3 21 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.926 112.1 47.7 -60.7 -47.8 11.3 46.5 33.0 22 23 A Q H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 8,-0.3 0.905 113.1 49.6 -59.2 -44.8 10.6 42.8 33.6 23 24 A K H < S+ 0 0 162 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.877 112.0 46.8 -63.9 -40.1 13.7 41.9 31.7 24 25 A Q H < S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 119.4 40.4 -69.8 -40.4 15.9 44.3 33.6 25 26 A L H < S- 0 0 24 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.777 120.3-116.6 -76.2 -25.5 14.5 43.1 36.9 26 27 A G >X - 0 0 17 -4,-2.5 3,-2.4 -5,-0.3 4,-1.6 0.302 18.3 -98.5 93.7 132.6 14.5 39.5 35.7 27 28 A K T 34 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.707 121.6 64.1 -55.1 -24.3 11.5 37.4 35.2 28 29 A D T 34 S+ 0 0 140 1,-0.2 -26,-0.3 -6,-0.1 -1,-0.3 0.664 109.5 39.5 -76.3 -13.5 12.0 35.7 38.5 29 30 A V T <4 S+ 0 0 19 -3,-2.4 -26,-2.0 -7,-0.2 2,-0.4 0.735 121.9 33.8-104.2 -29.3 11.5 39.1 40.2 30 31 A A E < -a 3 0A 0 -4,-1.6 2,-0.3 -8,-0.3 -1,-0.2 -0.986 58.7-155.7-138.5 140.3 8.6 40.5 38.1 31 32 A D E -a 4 0A 45 -28,-3.0 -26,-3.1 -2,-0.4 2,-0.5 -0.711 18.0-137.7-103.0 154.7 5.6 39.1 36.2 32 33 A V E +a 5 0A 44 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.973 24.2 174.1-119.4 128.3 3.9 40.9 33.3 33 34 A H E -a 6 0A 48 -28,-2.8 -26,-2.5 -2,-0.5 2,-0.5 -0.978 29.9-131.8-131.9 144.5 0.1 41.2 32.9 34 35 A D E > -a 7 0A 36 -2,-0.3 3,-1.8 -28,-0.2 -26,-0.2 -0.848 19.1-140.8 -93.4 127.1 -2.1 43.0 30.5 35 36 A I G > S+ 0 0 2 -28,-3.3 3,-1.7 -2,-0.5 -27,-0.2 0.825 99.6 66.2 -58.5 -31.3 -4.8 44.9 32.5 36 37 A A G 3 S+ 0 0 54 -29,-0.4 -1,-0.3 1,-0.3 -28,-0.1 0.675 108.7 38.6 -64.0 -18.9 -7.3 44.0 29.8 37 38 A K G < S+ 0 0 171 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.077 102.3 98.4-117.7 20.0 -7.0 40.4 30.8 38 39 A S < - 0 0 19 -3,-1.7 2,-0.2 -5,-0.1 -3,-0.0 -0.788 54.8-150.5-114.3 154.2 -6.6 40.9 34.6 39 40 A S >> - 0 0 41 -2,-0.3 4,-1.0 1,-0.1 3,-0.5 -0.687 37.2-100.1-112.0 170.7 -9.0 40.6 37.5 40 41 A K H 3> S+ 0 0 48 1,-0.2 4,-2.2 -2,-0.2 3,-0.5 0.863 123.6 54.9 -56.7 -38.4 -9.1 42.5 40.8 41 42 A E H 3> S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.828 95.9 65.0 -67.1 -34.6 -7.5 39.4 42.4 42 43 A D H <4 S+ 0 0 56 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.3 37.0 -55.9 -39.1 -4.6 39.4 40.0 43 44 A L H >< S+ 0 0 0 -4,-1.0 3,-2.1 -3,-0.5 -2,-0.2 0.894 111.0 57.4 -80.2 -44.9 -3.5 42.8 41.5 44 45 A E H 3< S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.770 94.1 72.1 -57.5 -25.4 -4.4 42.1 45.0 45 46 A A T 3< S+ 0 0 75 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.3 0.610 92.6 66.7 -67.1 -14.2 -2.1 39.1 44.8 46 47 A Y < - 0 0 23 -3,-2.1 3,-0.1 1,-0.1 -43,-0.1 -0.834 54.8-166.1-113.6 152.0 1.0 41.4 44.8 47 48 A D S S+ 0 0 104 -45,-0.6 34,-2.9 -2,-0.3 2,-0.4 0.375 88.9 51.5-107.2 -6.6 2.5 43.7 47.4 48 49 A I E S+bc 3 81A 5 -46,-0.6 -44,-2.4 32,-0.2 2,-0.4 -0.962 73.0 177.9-133.6 114.8 4.7 45.4 44.8 49 50 A L E -bc 4 82A 0 32,-2.5 34,-2.0 -2,-0.4 2,-0.5 -0.953 19.1-164.6-122.1 138.3 2.9 46.7 41.7 50 51 A L E -bc 5 83A 0 -46,-2.1 -44,-2.6 -2,-0.4 2,-0.5 -0.992 18.4-161.0-120.2 115.7 4.3 48.6 38.7 51 52 A L E -bc 6 84A 0 32,-2.8 34,-2.3 -2,-0.5 2,-0.5 -0.909 3.7-162.2-107.5 123.4 1.4 50.1 36.8 52 53 A G E +bc 7 85A 0 -46,-2.7 -44,-1.2 -2,-0.5 34,-0.3 -0.911 17.2 164.0-107.4 125.8 1.9 51.1 33.2 53 54 A I - 0 0 1 32,-2.7 2,-0.2 -2,-0.5 -44,-0.1 -0.946 21.5-155.0-147.3 115.3 -0.6 53.5 31.6 54 55 A P - 0 0 7 0, 0.0 8,-1.2 0, 0.0 2,-0.5 -0.519 25.2-121.2 -82.6 159.5 -0.3 55.6 28.4 55 56 A T E +F 61 0B 22 32,-1.6 2,-0.3 6,-0.2 6,-0.2 -0.887 36.4 176.4-104.5 130.1 -2.5 58.8 28.0 56 57 A W E > +F 60 0B 86 4,-3.1 4,-2.7 -2,-0.5 43,-0.0 -0.810 48.2 20.9-130.0 167.7 -4.9 58.9 25.1 57 58 A Y T 4 S- 0 0 28 -2,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.851 128.7 -43.0 40.9 58.4 -7.5 61.2 23.6 58 59 A Y T 4 S- 0 0 80 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.972 127.8 -21.4 59.0 64.7 -6.5 64.4 25.3 59 60 A G T 4 S+ 0 0 11 1,-0.3 2,-0.2 37,-0.3 -1,-0.2 0.505 99.8 136.5 88.8 6.6 -5.7 63.5 28.9 60 61 A E E < -F 56 0B 29 -4,-2.7 -4,-3.1 1,-0.1 -1,-0.3 -0.590 58.1-108.1 -91.9 150.4 -7.7 60.2 29.1 61 62 A A E -F 55 0B 4 -2,-0.2 -6,-0.2 -6,-0.2 5,-0.1 -0.409 52.8 -83.6 -69.8 144.9 -6.5 57.0 30.7 62 63 A Q >> - 0 0 0 -8,-1.2 4,-2.6 1,-0.1 3,-0.7 -0.249 49.4-111.1 -48.4 137.0 -5.8 54.1 28.2 63 64 A C H 3> S+ 0 0 10 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.746 114.5 49.1 -46.8 -38.4 -9.1 52.5 27.4 64 65 A D H 3> S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.876 113.3 47.0 -72.4 -38.0 -8.5 49.2 29.1 65 66 A W H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.909 110.2 53.9 -67.8 -39.7 -7.3 50.9 32.3 66 67 A D H < S+ 0 0 44 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.906 107.5 50.1 -60.4 -42.0 -10.3 53.2 32.1 67 68 A D H < S+ 0 0 78 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.851 114.0 47.0 -62.8 -34.8 -12.6 50.2 32.0 68 69 A F H >X S+ 0 0 19 -4,-1.5 4,-2.3 1,-0.2 3,-0.7 0.671 85.2 92.5 -82.5 -20.0 -10.8 48.7 35.0 69 70 A F H 3X S+ 0 0 18 -4,-1.6 4,-2.6 -3,-0.3 5,-0.2 0.847 80.8 55.6 -44.8 -48.5 -10.8 51.9 37.1 70 71 A P H 34 S+ 0 0 79 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.933 113.1 43.5 -53.8 -42.5 -14.0 51.1 39.0 71 72 A T H X4 S+ 0 0 42 -3,-0.7 3,-1.6 -4,-0.3 -2,-0.2 0.898 110.3 55.4 -67.8 -40.5 -12.5 47.8 40.0 72 73 A L H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.868 101.1 60.6 -61.1 -33.3 -9.2 49.5 40.9 73 74 A E T 3< S+ 0 0 93 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.638 98.8 56.7 -71.5 -12.6 -11.1 51.8 43.2 74 75 A E T < S+ 0 0 114 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.3 -0.063 86.4 101.5-108.4 31.6 -12.2 48.8 45.3 75 76 A I < - 0 0 3 -3,-1.3 2,-0.7 -32,-0.0 -34,-0.0 -0.953 68.9-134.9-116.5 132.8 -8.7 47.6 46.0 76 77 A D - 0 0 100 -2,-0.4 36,-0.1 1,-0.1 -2,-0.1 -0.804 21.0-179.0 -87.3 117.4 -7.0 48.3 49.4 77 78 A F > + 0 0 0 34,-2.3 3,-2.3 -2,-0.7 37,-0.3 0.306 37.5 127.8 -99.1 7.1 -3.5 49.4 48.6 78 79 A N T 3 S+ 0 0 108 33,-0.3 35,-0.1 1,-0.3 3,-0.1 -0.476 80.5 18.6 -63.9 128.2 -2.6 49.8 52.3 79 80 A G T 3 S+ 0 0 66 33,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.392 104.0 111.9 89.9 -3.8 0.6 47.8 52.7 80 81 A K < - 0 0 15 -3,-2.3 34,-1.9 32,-0.2 2,-0.4 -0.820 57.3-144.5-106.2 145.5 1.4 47.8 48.9 81 82 A L E -cd 48 114A 53 -34,-2.9 -32,-2.5 -2,-0.3 2,-0.3 -0.886 23.5-171.3-106.0 137.0 4.3 49.5 47.2 82 83 A V E -cd 49 115A 0 32,-2.3 34,-2.4 -2,-0.4 2,-0.4 -0.985 17.8-172.3-137.3 144.2 3.6 51.0 43.8 83 84 A A E -c 50 0A 0 -34,-2.0 -32,-2.8 -2,-0.3 2,-0.3 -0.967 16.7-149.5-129.7 142.5 5.5 52.5 40.9 84 85 A L E +c 51 0A 0 32,-0.5 57,-2.2 55,-0.4 2,-0.3 -0.899 18.4 168.6-117.3 145.0 3.9 54.1 37.8 85 86 A F E +ce 52 141A 0 -34,-2.3 -32,-2.7 -2,-0.3 2,-0.3 -0.967 7.9 148.6-148.4 155.6 5.2 54.3 34.2 86 87 A G E - e 0 142A 0 55,-1.9 57,-2.5 -2,-0.3 2,-0.3 -0.969 33.9-108.5-176.8 170.1 3.6 55.3 30.9 87 88 A C E + e 0 143A 8 -2,-0.3 -32,-1.6 55,-0.2 2,-0.3 -0.747 32.0 158.6-114.5 160.5 4.0 56.9 27.5 88 89 A G - 0 0 10 55,-1.8 2,-0.5 -2,-0.3 58,-0.5 -0.949 40.4-112.3-165.9 172.6 2.8 60.1 26.0 89 90 A D > - 0 0 16 -2,-0.3 4,-1.4 -34,-0.1 7,-0.2 -0.943 22.3-168.3-122.5 103.2 3.6 62.5 23.1 90 91 A Q T 4 S+ 0 0 1 -2,-0.5 37,-0.2 2,-0.2 7,-0.1 0.565 82.7 48.0 -69.0 -14.8 4.9 65.9 24.5 91 92 A E T >4 S+ 0 0 118 2,-0.1 3,-1.0 35,-0.1 -1,-0.1 0.910 117.6 33.3 -90.6 -61.6 4.6 67.7 21.2 92 93 A D T 34 S+ 0 0 91 1,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.683 135.1 30.7 -69.1 -18.4 1.1 66.9 19.9 93 94 A Y T >< S+ 0 0 86 -4,-1.4 3,-2.0 1,-0.1 -1,-0.3 -0.217 71.8 144.5-135.7 47.6 -0.3 66.7 23.5 94 95 A A T < S+ 0 0 9 -3,-1.0 34,-3.0 1,-0.3 33,-2.1 0.695 75.0 51.5 -60.3 -24.3 1.8 69.2 25.4 95 96 A E T 3 S+ 0 0 110 32,-0.3 -1,-0.3 1,-0.2 -5,-0.1 0.464 119.6 35.2 -93.2 -1.9 -1.1 70.3 27.6 96 97 A Y S X S+ 0 0 38 -3,-2.0 3,-1.7 -7,-0.2 2,-0.3 0.071 78.8 162.4-136.2 26.0 -2.0 66.7 28.5 97 98 A F T 3 S- 0 0 1 31,-1.3 34,-0.5 -3,-0.3 33,-0.1 -0.281 78.4 -24.8 -59.1 110.5 1.4 65.1 28.7 98 99 A C T >> S+ 0 0 2 -2,-0.3 3,-1.3 -43,-0.1 4,-0.6 0.827 83.3 156.2 55.2 36.8 1.2 61.8 30.6 99 100 A D H X> + 0 0 9 -3,-1.7 4,-1.7 1,-0.2 3,-1.1 0.837 61.7 70.4 -58.5 -36.3 -1.9 63.0 32.5 100 101 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.3 5,-0.2 0.720 86.8 65.3 -58.2 -23.2 -3.0 59.4 33.1 101 102 A L H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.919 106.4 42.9 -65.4 -40.8 -0.1 58.9 35.6 102 103 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.8 0.881 113.0 54.7 -76.0 -34.1 -4.2 56.5 38.4 105 106 A R H 3X S+ 0 0 33 -4,-1.8 4,-2.3 1,-0.3 -2,-0.2 0.870 102.5 57.7 -64.0 -37.4 -2.2 58.0 41.3 106 107 A D H 3< S+ 0 0 94 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.720 111.4 43.7 -65.1 -23.2 -5.3 59.9 42.4 107 108 A I H S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 -31,-0.2 0.838 109.4 59.3 -72.0 -39.1 -4.4 54.5 44.4 109 110 A E T ><5S+ 0 0 91 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.905 105.9 48.0 -60.5 -45.4 -2.7 57.0 46.8 110 111 A P T 345S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.839 106.9 61.4 -64.6 -26.3 -5.9 57.9 48.7 111 112 A R T 3<5S- 0 0 76 -4,-0.8 -34,-2.3 -3,-0.1 -33,-0.3 0.053 130.4 -92.5 -86.9 23.5 -6.4 54.1 48.9 112 113 A G T < 5S+ 0 0 20 -3,-1.5 -33,-0.5 1,-0.2 -3,-0.2 0.398 70.0 154.0 87.5 0.1 -3.1 53.7 50.9 113 114 A A < - 0 0 8 -5,-2.0 2,-0.8 -35,-0.1 -1,-0.2 -0.306 39.2-139.2 -65.1 142.3 -0.5 53.0 48.2 114 115 A T E -d 81 0A 79 -34,-1.9 -32,-2.3 -37,-0.3 2,-0.4 -0.913 26.1-149.7-102.2 106.6 3.1 54.0 49.0 115 116 A I E +d 82 0A 23 -2,-0.8 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17.0 336 161 B V H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.944 114.8 47.1 -67.2 -44.7 -36.6 69.4 16.4 337 162 B K H X S+ 0 0 102 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.936 113.5 51.0 -59.7 -42.0 -40.4 69.4 15.8 338 163 B Q H X S+ 0 0 53 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.948 111.9 43.5 -61.9 -54.2 -40.7 67.4 19.0 339 164 B I H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.780 107.5 60.1 -66.4 -26.6 -38.6 69.7 21.1 340 165 B S H X>S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 5,-1.9 0.936 109.0 45.3 -64.4 -41.4 -40.3 72.8 19.7 341 166 B E H <5S+ 0 0 106 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.955 115.2 46.2 -63.2 -52.3 -43.6 71.4 21.0 342 167 B E H <5S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.768 119.1 41.3 -61.9 -31.4 -42.0 70.5 24.4 343 168 B L H <5S- 0 0 8 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.719 104.9-134.2 -87.0 -23.7 -40.3 73.9 24.6 344 169 B H T >X5 + 0 0 91 -4,-2.0 4,-2.5 -5,-0.2 3,-0.6 0.859 40.6 166.2 70.1 42.2 -43.4 75.7 23.3 345 170 B L H 3> S+ 0 0 81 -6,-0.4 4,-1.7 3,-0.2 -1,-0.2 0.963 110.9 30.2 -68.7 -52.8 -45.0 78.5 19.4 347 172 B E H <> S+ 0 0 92 -3,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.906 117.0 54.9 -75.8 -45.2 -46.2 80.3 22.5 348 173 B I H < S+ 0 0 90 -4,-2.5 3,-0.2 1,-0.2 -3,-0.2 0.908 119.3 33.6 -56.3 -45.9 -42.9 81.9 23.8 349 174 B L H < S+ 0 0 81 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.873 141.0 3.2 -80.2 -39.4 -42.2 83.5 20.4 350 175 B N H < 0 0 128 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 -0.397 360.0 360.0-153.9 74.9 -45.8 84.3 19.4 351 176 B A < 0 0 132 -4,-1.0 -4,-0.0 -3,-0.2 0, 0.0 -0.967 360.0 360.0-176.9 360.0 -48.8 83.5 21.7