==== 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 ELECTRON TRANSPORT 12-MAY-99 1QHE . COMPND 2 MOLECULE: PROTEIN (FLAVODOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR A.ROMERO,J.FERNANDEZ-RECIO,J.SANCHO . 168 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.0 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 12 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 3 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 . 1 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 . 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 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 K 0 0 168 0, 0.0 28,-0.2 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 -26.7 15.3 0.5 34.7 2 3 A K + 0 0 120 27,-2.4 46,-0.6 1,-0.2 2,-0.5 0.636 360.0 63.2-131.2 -24.8 11.5 0.5 34.1 3 4 A I E -ab 30 48A 1 26,-2.6 28,-2.4 43,-0.1 2,-0.6 -0.940 65.7-150.7-110.7 122.2 10.1 4.0 33.8 4 5 A G E -ab 31 49A 0 44,-2.4 46,-2.5 -2,-0.5 2,-0.7 -0.821 8.0-165.4 -92.8 119.5 11.3 6.2 31.0 5 6 A L E -ab 32 50A 0 26,-2.5 28,-2.9 -2,-0.6 2,-0.6 -0.909 6.6-174.4-108.6 108.4 11.2 9.9 31.8 6 7 A F E +ab 33 51A 0 44,-2.4 46,-3.0 -2,-0.7 2,-0.3 -0.920 11.6 169.6-104.0 120.1 11.6 12.0 28.6 7 8 A Y E -ab 34 52A 14 26,-2.2 28,-3.1 -2,-0.6 2,-0.3 -0.922 23.3-161.6-131.5 157.4 11.9 15.8 29.2 8 9 A G - 0 0 0 44,-1.1 2,-0.3 -2,-0.3 54,-0.1 -0.939 19.9-170.8-129.8 148.9 12.8 18.8 27.1 9 10 A T - 0 0 27 -2,-0.3 55,-0.1 1,-0.1 -2,-0.0 -0.997 26.3-172.9-148.8 149.0 13.9 22.0 28.8 10 11 A Q S S+ 0 0 110 -2,-0.3 -1,-0.1 53,-0.0 46,-0.0 0.793 94.9 14.0-105.1 -49.7 14.5 25.7 28.0 11 12 A T S S- 0 0 102 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.303 109.3-102.1-112.8 12.0 16.0 27.2 31.2 12 13 A G S > S+ 0 0 25 3,-0.0 4,-1.8 4,-0.0 5,-0.1 0.357 90.1 111.4 89.7 -4.3 16.7 24.0 33.0 13 14 A K H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.893 77.8 50.4 -70.5 -42.2 13.8 23.8 35.5 14 15 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 111.2 51.9 -64.3 -32.6 12.0 20.8 34.0 15 16 A E H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.916 108.6 48.6 -71.1 -41.5 15.4 19.0 34.0 16 17 A S H X S+ 0 0 35 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.869 112.3 48.6 -68.0 -34.8 16.0 19.7 37.8 17 18 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.889 106.3 58.1 -71.0 -34.1 12.5 18.5 38.6 18 19 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.848 105.9 49.3 -61.5 -36.8 13.1 15.3 36.5 19 20 A E H X S+ 0 0 81 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.856 111.6 49.1 -70.1 -34.3 16.1 14.6 38.8 20 21 A I H X S+ 0 0 55 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.914 110.9 49.2 -69.2 -45.6 13.9 15.1 41.9 21 22 A I H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 5,-0.2 0.943 110.3 52.6 -58.3 -46.1 11.2 12.9 40.5 22 23 A R H X S+ 0 0 94 -4,-2.3 4,-2.1 1,-0.2 8,-0.3 0.924 111.3 45.9 -55.3 -48.2 13.9 10.3 39.8 23 24 A D H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 108.2 55.0 -65.4 -39.3 15.1 10.5 43.4 24 25 A E H < S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.2 43.7 -64.1 -31.4 11.6 10.3 44.9 25 26 A F H < S+ 0 0 14 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.830 95.6 170.8 -78.3 -40.6 11.0 7.1 42.9 26 27 A G >< + 0 0 23 -4,-2.1 3,-1.7 -5,-0.2 4,-0.3 0.162 36.2 84.5 58.8-174.6 14.5 5.7 43.8 27 28 A N T 3 S- 0 0 159 1,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.655 116.6 -70.4 54.1 30.2 16.0 2.2 43.2 28 29 A D T 3 S+ 0 0 115 -6,-0.1 -1,-0.3 2,-0.1 -26,-0.2 0.768 98.9 133.5 61.9 26.0 17.1 2.7 39.6 29 30 A V < + 0 0 19 -3,-1.7 -26,-2.6 -7,-0.2 -27,-2.4 0.937 58.0 50.3 -73.9 -46.3 13.4 2.7 38.6 30 31 A V E -a 3 0A 11 -8,-0.3 2,-0.5 -4,-0.3 -26,-0.2 -0.779 64.2-161.1-104.5 134.4 13.5 5.8 36.4 31 32 A T E -a 4 0A 42 -28,-2.4 -26,-2.5 -2,-0.4 2,-0.3 -0.957 20.3-133.6-110.4 124.9 15.9 6.5 33.6 32 33 A L E -a 5 0A 48 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.654 20.1-173.2 -80.8 135.0 16.2 10.1 32.4 33 34 A H E -a 6 0A 39 -28,-2.9 -26,-2.2 -2,-0.3 2,-0.5 -0.968 14.7-152.1-131.2 110.9 16.2 10.9 28.7 34 35 A D E > -a 7 0A 26 -2,-0.4 3,-1.5 -28,-0.2 -26,-0.2 -0.751 17.8-141.7 -77.9 124.9 16.8 14.5 27.6 35 36 A V G > S+ 0 0 5 -28,-3.1 3,-1.1 -2,-0.5 -27,-0.1 0.634 94.3 74.3 -68.8 -12.7 14.9 14.7 24.3 36 37 A S G 3 S+ 0 0 68 -29,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.811 109.7 33.7 -66.9 -24.1 17.5 16.8 22.7 37 38 A Q G < S+ 0 0 158 -3,-1.5 -1,-0.2 2,-0.1 2,-0.2 0.070 107.0 92.6-117.2 23.7 19.5 13.6 22.5 38 39 A A < - 0 0 11 -3,-1.1 2,-0.3 -5,-0.1 3,-0.0 -0.686 59.4-141.1-116.1 169.2 16.7 11.1 22.1 39 40 A E > - 0 0 119 -2,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.919 28.7-117.2-124.5 150.9 14.9 9.4 19.1 40 41 A V G > S+ 0 0 5 -2,-0.3 3,-2.0 1,-0.3 4,-0.5 0.886 113.6 65.2 -58.7 -34.6 11.1 8.7 19.0 41 42 A T G 3 S+ 0 0 89 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.651 85.9 72.3 -63.4 -13.9 11.9 5.0 18.9 42 43 A D G X S+ 0 0 42 -3,-2.0 3,-0.8 1,-0.2 -1,-0.3 0.746 88.5 61.8 -72.2 -23.5 13.3 5.2 22.4 43 44 A L G X S+ 0 0 0 -3,-2.0 3,-1.4 -4,-0.4 -1,-0.2 0.779 90.9 67.4 -70.4 -30.7 9.7 5.7 23.8 44 45 A N G 3 S+ 0 0 79 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.673 87.8 69.6 -63.3 -20.7 8.8 2.2 22.4 45 46 A D G < S+ 0 0 121 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.3 0.579 91.4 64.6 -78.8 -12.5 11.1 0.6 25.0 46 47 A Y < - 0 0 32 -3,-1.4 -43,-0.1 -4,-0.1 3,-0.1 -0.858 53.3-163.8-115.5 152.7 9.1 1.4 28.1 47 48 A Q S S+ 0 0 95 -45,-0.5 34,-2.4 -2,-0.3 2,-0.4 0.498 89.4 51.9-103.4 -9.0 5.7 0.3 29.2 48 49 A Y E S+bc 3 81A 82 -46,-0.6 -44,-2.4 32,-0.2 2,-0.3 -0.996 73.6 179.7-130.2 127.4 5.7 3.2 31.8 49 50 A L E -bc 4 82A 0 32,-2.6 34,-2.3 -2,-0.4 2,-0.4 -0.970 21.7-165.1-136.7 146.5 6.4 6.8 30.7 50 51 A I E -bc 5 83A 0 -46,-2.5 -44,-2.4 -2,-0.3 2,-0.5 -1.000 16.4-159.4-127.6 122.1 6.7 10.2 32.2 51 52 A I E -bc 6 84A 0 32,-2.7 34,-2.2 -2,-0.4 2,-0.5 -0.931 6.8-170.5-107.8 124.6 6.7 13.1 29.7 52 53 A G E +bc 7 85A 0 -46,-3.0 -44,-1.1 -2,-0.5 34,-0.2 -0.955 17.8 148.4-119.4 131.1 8.1 16.5 30.8 53 54 A C - 0 0 0 32,-1.9 48,-0.3 -2,-0.5 -44,-0.1 -0.879 31.2-140.0-162.9 124.0 7.7 19.6 28.8 54 55 A P - 0 0 3 0, 0.0 2,-0.6 0, 0.0 8,-0.5 -0.394 15.1-130.9 -81.9 164.0 7.4 23.3 29.8 55 56 A T + 0 0 3 32,-2.2 34,-0.3 1,-0.1 43,-0.2 -0.973 53.7 129.0-117.7 112.4 5.2 25.9 28.1 56 57 A W + 0 0 45 -2,-0.6 2,-0.7 4,-0.2 -1,-0.1 0.302 52.3 88.0-136.8 -6.4 6.9 29.2 27.2 57 58 A N S > S- 0 0 43 3,-0.4 3,-1.6 -3,-0.2 -1,-0.1 -0.901 73.8-141.2-105.4 111.9 5.8 29.4 23.5 58 59 A I T 3 S+ 0 0 129 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.429 96.1 0.1 -50.7 -5.8 2.5 31.3 23.3 59 60 A G T 3 S+ 0 0 71 1,-0.1 -1,-0.3 37,-0.0 2,-0.3 0.067 124.9 64.4-179.1 41.7 1.3 28.9 20.6 60 61 A E S < S- 0 0 107 -3,-1.6 -3,-0.4 0, 0.0 2,-0.3 -0.939 73.4-104.8-160.3 174.1 4.1 26.4 20.0 61 62 A L - 0 0 7 -2,-0.3 5,-0.2 -5,-0.1 -6,-0.1 -0.784 47.5 -77.7-115.0 154.6 6.0 23.6 21.7 62 63 A Q >> - 0 0 5 -8,-0.5 4,-2.6 -2,-0.3 3,-0.9 -0.267 50.0-119.5 -49.4 122.2 9.5 23.4 23.2 63 64 A S H 3> S+ 0 0 81 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.783 110.1 49.2 -31.1 -58.9 11.9 23.0 20.2 64 65 A D H 3> S+ 0 0 51 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.912 118.4 41.2 -54.4 -44.0 13.4 19.6 21.2 65 66 A W H <> S+ 0 0 0 -3,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.828 103.5 67.8 -74.3 -31.5 9.9 18.3 21.7 66 67 A E H X S+ 0 0 77 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.856 102.1 49.4 -56.7 -35.4 8.6 20.0 18.6 67 68 A G H >X S+ 0 0 40 -4,-1.5 3,-0.7 -3,-0.3 4,-0.6 0.941 110.1 46.3 -71.0 -50.6 10.8 17.6 16.6 68 69 A L H >< S+ 0 0 14 -4,-1.2 3,-1.1 1,-0.2 4,-0.5 0.844 100.0 71.7 -61.7 -32.9 9.7 14.4 18.2 69 70 A Y H >< S+ 0 0 65 -4,-2.4 3,-1.4 1,-0.3 4,-0.3 0.875 92.8 54.8 -50.8 -44.0 6.0 15.5 17.9 70 71 A S H << S+ 0 0 81 -4,-0.8 3,-0.4 -3,-0.7 -1,-0.3 0.795 111.3 45.2 -63.1 -28.1 6.0 15.0 14.1 71 72 A E T X< S+ 0 0 87 -3,-1.1 3,-1.7 -4,-0.6 -1,-0.3 0.359 80.8 97.8 -98.0 4.6 7.2 11.4 14.5 72 73 A L G X S+ 0 0 0 -3,-1.4 3,-1.1 -4,-0.5 -1,-0.2 0.704 75.4 66.7 -65.6 -17.2 4.8 10.4 17.3 73 74 A D G 3 S+ 0 0 72 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.672 89.1 66.8 -74.0 -17.7 2.6 8.9 14.6 74 75 A D G < S+ 0 0 126 -3,-1.7 2,-0.4 2,-0.0 -1,-0.2 0.397 93.9 72.8 -83.1 2.1 5.4 6.3 14.0 75 76 A V < - 0 0 3 -3,-1.1 2,-0.6 -4,-0.1 -34,-0.0 -0.970 68.9-144.5-129.3 133.4 4.8 4.8 17.5 76 77 A D - 0 0 100 -2,-0.4 36,-0.1 1,-0.1 -3,-0.1 -0.819 16.1-179.7 -91.4 119.3 2.0 2.6 18.9 77 78 A F > + 0 0 0 34,-1.9 3,-2.1 -2,-0.6 37,-0.3 0.312 30.7 135.8-102.5 6.1 1.4 3.5 22.6 78 79 A N T 3 S+ 0 0 100 33,-0.6 35,-0.2 1,-0.3 3,-0.1 -0.312 75.1 18.6 -59.1 132.8 -1.4 1.0 23.2 79 80 A G T 3 S+ 0 0 56 33,-0.8 -1,-0.3 1,-0.3 2,-0.2 0.148 98.6 119.4 93.1 -18.4 -0.9 -0.7 26.6 80 81 A K < - 0 0 10 -3,-2.1 34,-2.7 32,-0.1 2,-0.5 -0.590 57.7-139.3 -86.8 142.6 1.5 1.9 27.9 81 82 A L E -cd 48 114A 38 -34,-2.4 -32,-2.6 -2,-0.2 2,-0.4 -0.876 24.4-168.7 -99.8 127.1 0.8 4.0 31.0 82 83 A V E -cd 49 115A 0 32,-2.5 34,-2.7 -2,-0.5 2,-0.3 -0.972 12.7-175.9-127.3 135.5 1.8 7.7 30.6 83 84 A A E -c 50 0A 0 -34,-2.3 -32,-2.7 -2,-0.4 2,-0.3 -0.854 13.2-153.4-120.3 156.6 2.1 10.6 33.1 84 85 A Y E +c 51 0A 0 32,-0.4 56,-2.0 54,-0.3 2,-0.3 -0.974 15.8 170.4-136.8 149.0 2.9 14.2 32.3 85 86 A F E +ce 52 140A 0 -34,-2.2 -32,-1.9 -2,-0.3 2,-0.3 -0.980 7.3 166.7-152.0 154.2 4.4 17.3 34.0 86 87 A G E - e 0 141A 0 54,-1.9 56,-2.4 -2,-0.3 2,-0.3 -0.981 27.5-122.3-162.5 166.0 5.5 20.7 33.0 87 88 A T E + e 0 142A 4 -2,-0.3 -32,-2.2 54,-0.2 2,-0.3 -0.796 40.2 139.7-111.9 157.9 6.6 24.2 34.1 88 89 A G - 0 0 1 54,-0.9 57,-0.6 -2,-0.3 2,-0.4 -0.972 50.4 -96.9-174.7-172.6 4.9 27.4 33.2 89 90 A D > - 0 0 31 -34,-0.3 4,-1.9 -2,-0.3 54,-0.1 -0.904 22.1-166.5-132.4 100.2 3.7 30.9 34.3 90 91 A Q T 4 S+ 0 0 7 -2,-0.4 37,-0.2 1,-0.2 7,-0.1 0.574 90.1 41.2 -63.4 -13.4 0.0 31.0 35.2 91 92 A I T >4 S+ 0 0 105 2,-0.1 3,-0.9 35,-0.1 -1,-0.2 0.823 117.6 42.4-101.5 -43.2 -0.0 34.8 35.2 92 93 A G T 34 S+ 0 0 50 1,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.642 130.4 29.8 -76.6 -17.2 2.1 35.6 32.1 93 94 A Y T >< S+ 0 0 58 -4,-1.9 3,-1.4 1,-0.1 -1,-0.3 -0.345 75.3 150.3-135.7 49.9 0.4 32.8 30.1 94 95 A A T < S+ 0 0 25 -3,-0.9 33,-2.6 1,-0.3 34,-1.7 0.796 76.8 42.2 -54.7 -35.7 -3.1 32.8 31.8 95 96 A D T 3 S+ 0 0 97 32,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.479 125.4 33.5 -91.7 -5.0 -4.8 31.7 28.7 96 97 A N S X S+ 0 0 39 -3,-1.4 3,-1.4 33,-0.1 2,-0.4 -0.075 76.1 159.3-140.3 33.9 -2.3 29.1 27.7 97 98 A F T 3 S- 0 0 1 31,-1.4 34,-0.4 -3,-0.4 -9,-0.1 -0.511 78.6 -9.7 -66.9 116.4 -1.0 27.8 31.0 98 99 A Q T 3> S+ 0 0 0 -2,-0.4 4,-0.9 -43,-0.2 3,-0.4 0.742 83.5 149.0 67.9 26.7 0.6 24.3 30.5 99 100 A D H <> + 0 0 10 -3,-1.4 4,-2.2 1,-0.2 3,-0.4 0.848 60.0 68.7 -56.7 -39.1 -0.6 23.9 26.9 100 101 A A H > S+ 0 0 2 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 100.0 44.6 -50.2 -50.1 2.4 21.9 26.0 101 102 A I H > S+ 0 0 0 -3,-0.4 4,-2.2 -48,-0.3 -1,-0.2 0.795 111.6 54.4 -69.6 -24.5 1.5 18.8 28.0 102 103 A G H X S+ 0 0 2 -4,-0.9 4,-1.9 -3,-0.4 -1,-0.2 0.873 108.8 47.9 -74.1 -38.2 -2.1 19.0 26.9 103 104 A I H X S+ 0 0 39 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.958 114.0 47.5 -64.2 -48.7 -1.0 18.9 23.2 104 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.885 111.5 50.1 -58.6 -46.1 1.4 16.0 23.9 105 106 A E H X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.892 106.4 55.1 -62.9 -41.2 -1.3 14.0 25.8 106 107 A E H X S+ 0 0 132 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.952 113.6 42.0 -57.9 -46.3 -3.9 14.5 23.0 107 108 A K H X S+ 0 0 33 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.966 116.9 46.3 -64.6 -54.6 -1.5 13.0 20.5 108 109 A I H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 -31,-0.2 0.864 112.5 47.8 -60.6 -41.7 -0.2 10.1 22.7 109 110 A S H ><5S+ 0 0 46 -4,-2.8 3,-1.3 3,-0.2 -1,-0.2 0.836 107.8 57.4 -71.9 -25.7 -3.6 9.0 24.0 110 111 A Q H 3<5S+ 0 0 120 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.882 105.0 51.9 -66.6 -38.3 -4.9 9.0 20.4 111 112 A R T 3<5S- 0 0 58 -4,-1.6 -34,-1.9 -5,-0.1 -33,-0.6 0.323 136.8 -88.8 -78.6 1.8 -2.0 6.6 19.6 112 113 A G T < 5S+ 0 0 17 -3,-1.3 -33,-0.8 1,-0.3 -3,-0.2 0.439 76.5 145.2 108.8 -1.5 -3.3 4.4 22.5 113 114 A G < - 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