==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-OCT-91 2FX2 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR W.WATT,K.D.WATENPAUGH . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.0 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 . 0 0.0 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 . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 62 0, 0.0 30,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 140.4 22.9 -0.1 112.1 2 3 A K E -a 31 0A 74 28,-0.2 48,-1.8 30,-0.0 49,-1.6 -0.979 360.0-168.7-108.1 127.3 22.6 -2.4 109.0 3 4 A A E -ab 32 51A 0 28,-2.9 30,-2.7 -2,-0.5 2,-0.4 -0.966 10.7-157.6-122.4 142.1 23.1 -0.2 105.8 4 5 A L E -ab 33 52A 0 47,-2.4 49,-2.7 -2,-0.4 2,-0.5 -0.983 4.9-165.6-116.0 136.3 22.5 -1.3 102.2 5 6 A I E -ab 34 53A 0 28,-2.7 30,-3.1 -2,-0.4 2,-0.5 -0.985 7.2-177.3-121.6 125.0 24.3 0.5 99.3 6 7 A V E +ab 35 54A 0 47,-2.6 49,-3.0 -2,-0.5 2,-0.3 -0.999 10.2 179.1-122.5 120.0 22.9 -0.2 95.7 7 8 A Y E -ab 36 55A 23 28,-1.8 30,-3.3 -2,-0.5 2,-0.4 -0.933 25.6-155.9-127.2 156.0 24.7 1.5 92.8 8 9 A G E + b 0 56A 0 47,-1.4 49,-1.0 -2,-0.3 2,-0.4 -0.995 27.2 165.9-119.7 126.8 24.5 1.7 89.0 9 10 A S - 0 0 15 -2,-0.4 -2,-0.0 47,-0.2 47,-0.0 -0.978 22.7-179.5-149.7 127.2 27.8 2.5 87.3 10 11 A T S S+ 0 0 67 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.853 92.3 25.1 -98.3 -41.8 28.8 2.3 83.6 11 12 A T S S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.299 113.2-103.1-104.5 9.9 32.4 3.5 83.7 12 13 A G S > S+ 0 0 19 4,-0.0 4,-1.9 3,-0.0 5,-0.1 0.422 91.7 111.2 90.6 -0.0 33.1 2.6 87.5 13 14 A N H > S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -4,-0.1 0.927 83.1 39.6 -75.0 -46.7 32.8 6.3 88.9 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.764 115.6 55.3 -72.9 -37.2 29.6 5.8 90.9 15 16 A E H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.899 106.6 48.4 -63.0 -46.7 31.0 2.4 91.9 16 17 A Y H X S+ 0 0 41 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.866 112.1 51.6 -58.0 -42.9 34.2 4.0 93.2 17 18 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.931 109.4 48.4 -58.3 -55.5 31.9 6.4 95.1 18 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.773 110.3 52.0 -57.4 -43.7 29.9 3.6 96.6 19 20 A E H X S+ 0 0 112 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.856 109.3 50.2 -65.6 -41.4 33.0 1.7 97.7 20 21 A T H X S+ 0 0 15 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.886 112.7 45.5 -65.9 -50.1 34.4 4.8 99.5 21 22 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.860 111.0 55.1 -64.6 -44.0 31.1 5.3 101.3 22 23 A A H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.855 107.5 49.0 -54.7 -47.5 31.0 1.6 102.2 23 24 A R H X S+ 0 0 134 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.890 109.9 50.3 -62.9 -47.9 34.4 1.8 103.8 24 25 A E H X S+ 0 0 33 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.837 114.3 43.8 -62.0 -41.6 33.6 4.8 105.9 25 26 A L H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-0.5 0.915 115.0 50.3 -73.1 -42.0 30.3 3.3 107.3 26 27 A A H ><5S+ 0 0 30 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.871 107.3 52.7 -59.4 -47.5 32.1 -0.1 107.8 27 28 A D H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.690 106.7 56.8 -60.2 -29.7 35.0 1.7 109.7 28 29 A A T 3<5S- 0 0 51 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.416 125.7 -99.7 -80.6 -8.3 32.3 3.2 111.9 29 30 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.344 75.3 138.7 95.1 3.9 30.8 -0.2 113.0 30 31 A Y < - 0 0 37 -5,-2.1 2,-0.5 -28,-0.1 -1,-0.3 -0.492 57.8-124.3 -71.0 156.2 27.9 -0.4 110.6 31 32 A E E -a 2 0A 136 -30,-2.3 -28,-2.9 -2,-0.1 2,-0.4 -0.915 39.5-162.7 -92.1 119.9 27.2 -3.8 109.0 32 33 A V E -a 3 0A 45 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.957 21.3-170.3-117.9 132.0 27.3 -2.8 105.2 33 34 A D E -a 4 0A 53 -30,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.995 12.1-169.4-114.6 124.9 25.9 -4.7 102.2 34 35 A S E +a 5 0A 49 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.995 8.9 176.8-119.6 123.4 27.0 -3.2 98.9 35 36 A R E -a 6 0A 78 -30,-3.1 -28,-1.8 -2,-0.5 2,-0.3 -0.972 31.5-127.0-130.1 137.8 25.4 -4.4 95.7 36 37 A D E > -a 7 0A 43 -2,-0.4 3,-1.7 -30,-0.2 -28,-0.2 -0.673 29.8-126.4 -70.6 133.2 25.7 -3.4 92.0 37 38 A A G > S+ 0 0 7 -30,-3.3 3,-1.5 -2,-0.3 -29,-0.1 0.704 103.8 75.5 -55.9 -27.9 22.1 -2.8 90.7 38 39 A A G 3 S+ 0 0 66 -31,-0.3 -1,-0.3 1,-0.3 -30,-0.1 0.759 101.7 41.1 -56.4 -27.6 22.7 -5.3 87.8 39 40 A S G < S+ 0 0 90 -3,-1.7 -1,-0.3 2,-0.0 2,-0.3 0.333 93.7 93.6-109.0 16.0 22.4 -8.1 90.4 40 41 A V < - 0 0 31 -3,-1.5 2,-0.4 -5,-0.1 33,-0.0 -0.691 57.5-141.8-111.3 165.2 19.5 -7.3 92.7 41 42 A E - 0 0 175 -2,-0.3 32,-0.0 2,-0.1 -2,-0.0 -0.971 17.6-139.7-117.5 132.5 15.8 -8.2 92.6 42 43 A A > + 0 0 14 -2,-0.4 3,-1.7 2,-0.1 4,-0.3 0.684 64.3 106.3 -66.4 -38.4 13.5 -5.4 93.7 43 44 A G T 3 S- 0 0 52 1,-0.3 37,-0.3 2,-0.1 -2,-0.1 -0.360 106.8 -19.7 -54.4 120.4 10.8 -7.1 95.8 44 45 A G T > S+ 0 0 28 35,-3.5 3,-0.9 -2,-0.2 -1,-0.3 0.725 89.5 147.3 55.3 27.9 11.3 -6.3 99.6 45 46 A L T < S+ 0 0 15 -3,-1.7 36,-0.2 1,-0.2 -2,-0.1 0.823 70.2 45.3 -61.9 -38.0 15.0 -5.4 98.8 46 47 A F T > S+ 0 0 0 34,-2.1 3,-1.7 -4,-0.3 -1,-0.2 0.486 83.4 117.8 -86.1 -8.4 15.1 -2.7 101.6 47 48 A E T < S+ 0 0 126 -3,-0.9 3,-0.1 33,-0.6 34,-0.1 -0.359 75.6 26.2 -65.1 133.1 13.4 -4.8 104.3 48 49 A G T 3 S+ 0 0 53 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.540 96.3 111.6 97.0 5.8 15.8 -5.3 107.2 49 50 A F < - 0 0 13 -3,-1.7 -1,-0.3 1,-0.1 37,-0.2 -0.930 51.8-159.6-116.8 149.7 17.9 -2.2 106.8 50 51 A D S S+ 0 0 89 -48,-1.8 36,-0.5 -2,-0.4 2,-0.3 0.729 88.2 22.5 -79.6 -36.3 18.2 0.8 109.0 51 52 A L E -bc 3 86A 0 -49,-1.6 -47,-2.4 34,-0.1 2,-0.4 -1.000 63.1-166.8-137.3 136.7 19.8 2.9 106.1 52 53 A V E -bc 4 87A 0 34,-1.7 36,-1.5 -2,-0.3 2,-0.5 -0.994 5.3-168.0-126.7 125.9 19.6 2.5 102.3 53 54 A L E -bc 5 88A 0 -49,-2.7 -47,-2.6 -2,-0.4 2,-0.5 -0.981 6.2-164.5-114.7 122.2 22.0 4.5 100.1 54 55 A L E -bc 6 89A 1 34,-1.8 36,-2.6 -2,-0.5 2,-0.4 -0.933 5.6-170.2-114.6 122.2 21.1 4.5 96.3 55 56 A G E +bc 7 90A 0 -49,-3.0 -47,-1.4 -2,-0.5 2,-0.3 -0.932 11.0 162.4-119.9 140.4 23.7 5.7 93.8 56 57 A C E -b 8 0A 1 34,-1.8 48,-0.2 -2,-0.4 -47,-0.2 -0.904 28.9-134.1-161.1 134.7 23.4 6.3 90.0 57 58 A S - 0 0 9 -49,-1.0 10,-1.6 -2,-0.3 2,-0.4 -0.403 28.0-123.3 -81.0 155.1 25.2 8.1 87.2 58 59 A T E +F 66 0B 24 34,-1.3 8,-0.2 8,-0.2 2,-0.2 -0.919 35.1 164.1-107.3 131.9 23.2 10.3 84.8 59 60 A W E +F 65 0B 110 6,-2.6 6,-1.8 -2,-0.4 2,-0.2 -0.519 38.9 81.2-127.3-175.9 23.3 9.8 80.9 60 61 A G - 0 0 24 4,-0.2 2,-2.7 -2,-0.2 4,-0.2 -0.192 58.0-154.6 104.0 -42.0 21.1 11.0 78.0 61 62 A D S S+ 0 0 102 1,-0.3 37,-0.4 -2,-0.2 38,-0.4 -0.434 90.6 40.5 70.3 -69.2 22.6 14.5 77.4 62 63 A D S S+ 0 0 125 -2,-2.7 2,-0.3 36,-0.1 -1,-0.3 0.633 133.1 12.0 -83.2 -15.8 19.5 16.0 75.9 63 64 A S S S- 0 0 55 36,-0.1 2,-0.6 -4,-0.0 36,-0.1 -0.876 96.7 -86.2-143.2 178.8 17.1 14.3 78.3 64 65 A I + 0 0 72 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.829 44.2 174.6 -93.9 130.9 17.7 12.4 81.6 65 66 A E E -F 59 0B 106 -6,-1.8 -6,-2.6 -2,-0.6 2,-0.2 -0.998 24.7-134.4-124.2 126.0 18.5 8.8 81.3 66 67 A L E -F 58 0B 21 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.2 -0.475 43.5 -78.9 -76.4 162.3 19.5 6.8 84.4 67 68 A Q >> - 0 0 1 -10,-1.6 3,-1.1 -2,-0.2 4,-0.9 -0.189 50.2-115.1 -51.5 143.6 22.5 4.4 84.2 68 69 A D G >4 S+ 0 0 105 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.819 109.5 51.5 -55.5 -48.2 21.3 1.2 82.4 69 70 A D G 34 S+ 0 0 51 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.768 108.8 55.4 -66.4 -25.2 21.7 -1.4 85.2 70 71 A F G <> S+ 0 0 0 -3,-1.1 4,-1.8 1,-0.2 3,-0.3 0.729 85.0 81.8 -78.9 -28.2 19.7 0.8 87.4 71 72 A I H S+ 0 0 82 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.910 112.6 48.5 -51.5 -39.5 14.9 -2.1 86.2 73 74 A L H 4 S+ 0 0 6 -4,-0.4 3,-0.3 -3,-0.3 -2,-0.2 0.930 109.3 49.8 -65.9 -46.1 15.2 -1.1 89.9 74 75 A F H >< S+ 0 0 45 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.861 108.8 54.3 -57.7 -41.4 13.9 2.4 89.5 75 76 A D H 3< S+ 0 0 120 -4,-2.2 3,-0.2 1,-0.3 -1,-0.2 0.767 114.6 40.6 -64.6 -35.3 10.9 0.9 87.6 76 77 A S T >< S+ 0 0 34 -4,-1.3 3,-1.9 -3,-0.3 -1,-0.3 0.021 76.7 122.6-101.0 21.0 10.2 -1.4 90.5 77 78 A L G X + 0 0 1 -3,-1.1 3,-1.5 1,-0.3 4,-0.4 0.730 66.7 63.1 -54.6 -33.0 10.9 1.0 93.4 78 79 A E G 3 S+ 0 0 163 1,-0.3 -1,-0.3 -3,-0.2 5,-0.1 0.597 97.8 57.6 -72.1 -8.0 7.4 0.6 95.0 79 80 A E G < S+ 0 0 111 -3,-1.9 -35,-3.5 1,-0.1 -1,-0.3 0.190 88.3 81.7 -95.2 -1.1 8.1 -3.1 95.6 80 81 A T S < S- 0 0 0 -3,-1.5 -34,-2.1 -37,-0.3 -33,-0.6 0.778 100.3-111.8 -81.8 -36.1 11.2 -2.3 97.7 81 82 A G + 0 0 21 -4,-0.4 -3,-0.1 -35,-0.2 -2,-0.1 0.803 66.3 144.1 100.3 47.7 9.8 -1.5 101.2 82 83 A A > + 0 0 5 -5,-0.4 3,-2.5 2,-0.1 35,-0.3 0.648 27.7 113.3 -88.3 -21.3 10.9 2.1 101.0 83 84 A Q T 3 S- 0 0 164 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.319 97.0 -0.7 -52.6 126.2 7.9 3.6 102.9 84 85 A G T 3 S+ 0 0 58 31,-2.7 -1,-0.3 1,-0.2 2,-0.2 0.478 102.3 136.6 69.6 3.8 9.1 5.0 106.1 85 86 A R < - 0 0 45 -3,-2.5 32,-3.9 1,-0.0 2,-0.5 -0.564 59.1-120.9 -83.7 143.9 12.7 3.9 105.3 86 87 A K E +cd 51 117A 58 -36,-0.5 -34,-1.7 -2,-0.2 2,-0.3 -0.814 46.9 167.1 -82.9 120.5 15.7 6.3 106.0 87 88 A V E -cd 52 118A 0 30,-2.6 32,-2.1 -2,-0.5 33,-0.5 -0.913 25.5-173.7-139.0 159.2 17.4 6.9 102.6 88 89 A A E -c 53 0A 0 -36,-1.5 -34,-1.8 -2,-0.3 2,-0.3 -0.966 17.1-144.2-147.7 150.5 20.0 9.2 101.0 89 90 A C E +c 54 0A 1 31,-0.4 34,-1.5 -2,-0.3 2,-0.3 -0.899 16.5 175.9-120.3 155.3 21.0 9.3 97.2 90 91 A F E +ce 55 123A 2 -36,-2.6 -34,-1.8 -2,-0.3 2,-0.3 -0.954 6.6 161.5-146.0 167.6 24.4 10.0 95.5 91 92 A G E - e 0 124A 0 32,-2.1 34,-2.4 -2,-0.3 2,-0.3 -0.966 32.7-115.5-179.0 159.5 25.6 9.9 91.9 92 93 A C E + e 0 125A 8 -2,-0.3 -34,-1.3 32,-0.2 2,-0.3 -0.779 43.3 141.7-103.8 149.2 28.3 11.1 89.4 93 94 A G E - e 0 126A 18 32,-2.2 34,-2.2 -2,-0.3 2,-0.3 -0.839 44.8-108.7-159.9-163.3 27.6 13.5 86.5 94 95 A D > - 0 0 68 -2,-0.3 3,-1.8 32,-0.2 7,-0.2 -0.964 15.7-140.9-147.3 125.5 29.2 16.4 84.7 95 96 A S T 3 S+ 0 0 66 -2,-0.3 5,-0.1 1,-0.3 31,-0.0 0.386 93.8 75.9 -73.2 3.8 28.0 20.0 85.1 96 97 A S T 3 S+ 0 0 98 3,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.557 82.7 86.6 -85.7 -11.0 28.5 20.9 81.5 97 98 A Y S X S- 0 0 116 -3,-1.8 3,-0.5 1,-0.1 -35,-0.1 -0.504 88.4-121.9 -89.6 157.3 25.3 18.9 80.8 98 99 A E T 3 S+ 0 0 143 -37,-0.4 2,-0.8 1,-0.3 -1,-0.1 0.906 108.3 42.2 -68.1 -36.8 22.0 20.6 81.0 99 100 A Y T > S- 0 0 100 -38,-0.4 3,-1.7 -36,-0.1 2,-0.3 -0.785 84.7-160.7-109.7 81.4 20.6 18.2 83.7 100 101 A F T < S- 0 0 62 -2,-0.8 -5,-0.1 -3,-0.5 -7,-0.1 -0.447 77.5 -14.2 -57.4 112.9 23.7 17.8 86.0 101 102 A C T >> S+ 0 0 1 -2,-0.3 4,-1.2 -7,-0.2 3,-1.1 0.804 84.1 160.4 52.4 32.7 23.1 14.6 88.0 102 103 A G H <> + 0 0 0 -3,-1.7 4,-2.4 1,-0.3 5,-0.2 0.758 66.1 67.9 -52.6 -27.8 19.4 14.6 87.0 103 104 A A H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.906 97.5 52.0 -59.3 -50.1 19.3 10.9 87.9 104 105 A V H <> S+ 0 0 1 -3,-1.1 4,-2.6 -48,-0.2 -1,-0.2 0.923 110.0 49.5 -50.4 -52.6 19.8 11.9 91.6 105 106 A D H X S+ 0 0 72 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.914 111.0 47.7 -59.3 -47.2 16.8 14.4 91.3 106 107 A A H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 112.8 48.7 -58.0 -45.9 14.5 11.8 89.7 107 108 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 111.6 49.7 -63.7 -43.6 15.3 9.1 92.4 108 109 A E H X S+ 0 0 14 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.904 110.9 49.8 -60.1 -49.8 14.8 11.6 95.3 109 110 A E H X S+ 0 0 97 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.896 112.5 46.2 -55.5 -46.2 11.4 12.7 93.9 110 111 A K H X S+ 0 0 83 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.903 111.2 52.8 -63.6 -46.1 10.2 9.2 93.5 111 112 A L H X>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.5 0.901 107.4 52.6 -60.4 -46.1 11.4 8.2 97.0 112 113 A K H ><5S+ 0 0 106 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.880 108.4 49.3 -55.4 -44.4 9.6 11.2 98.5 113 114 A N H 3<5S+ 0 0 129 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.721 108.1 55.0 -67.0 -29.4 6.2 10.1 96.8 114 115 A L H 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.505 120.1-111.6 -81.7 -11.2 6.7 6.5 98.1 115 116 A G T <<5 + 0 0 39 -3,-1.0 -31,-2.7 -4,-0.5 -3,-0.2 0.744 63.3 150.3 88.3 19.2 7.0 7.9 101.6 116 117 A A < - 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