==== 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 06-OCT-08 3ESZ . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR B.HERGUEDAS,M.MARTINEZ-JULVEZ,J.HERMOSO,G.GONI,M.MEDINA . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.0 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 . 2 0.6 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 3 1 0 0 2 0 0 0 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 . 1 5 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 1 A S 0 0 119 0, 0.0 4,-0.1 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 152.5 14.6 22.6 44.9 2 2 A A - 0 0 19 2,-0.1 28,-0.2 1,-0.1 29,-0.1 -0.248 360.0-110.1 -65.8 164.4 14.4 23.7 41.2 3 3 A A S S+ 0 0 42 26,-0.4 46,-0.8 1,-0.1 45,-0.6 0.917 100.1 41.9 -65.2 -43.3 10.9 24.1 39.8 4 4 A I E -ab 31 49A 0 26,-2.8 28,-2.3 44,-0.1 2,-0.6 -0.905 65.7-158.1-114.9 128.4 11.0 21.1 37.5 5 5 A G E -ab 32 50A 0 44,-2.3 46,-2.5 -2,-0.5 2,-0.7 -0.924 8.4-160.0-101.8 122.2 12.3 17.6 38.3 6 6 A L E -ab 33 51A 0 26,-2.8 28,-2.7 -2,-0.6 2,-0.6 -0.909 7.3-169.9-104.8 107.9 13.3 15.6 35.3 7 7 A F E +ab 34 52A 1 44,-2.4 46,-2.8 -2,-0.7 2,-0.3 -0.901 15.6 169.3-101.7 114.5 13.4 11.9 36.1 8 8 A Y E -ab 35 53A 16 26,-2.1 28,-2.7 -2,-0.6 2,-0.3 -0.905 23.5-158.4-125.5 149.0 14.9 9.8 33.4 9 9 A G + 0 0 0 44,-1.6 2,-0.3 -2,-0.3 6,-0.1 -0.925 16.9 179.2-117.5 156.3 16.2 6.3 32.9 10 10 A T + 0 0 19 -2,-0.3 55,-0.1 44,-0.1 27,-0.0 -0.986 24.5 180.0-158.6 139.7 18.6 5.2 30.2 11 11 A Q S S+ 0 0 26 -2,-0.3 -1,-0.1 53,-0.0 46,-0.0 0.770 95.4 22.3-106.1 -51.0 20.3 2.0 29.0 12 12 A T S S- 0 0 52 323,-0.0 323,-0.0 324,-0.0 324,-0.0 0.192 109.9-108.2-106.5 16.9 22.4 3.2 26.0 13 13 A G S > S+ 0 0 21 1,-0.1 4,-1.9 3,-0.0 5,-0.1 0.353 87.7 112.5 85.9 -6.0 22.6 6.9 27.0 14 14 A K H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.907 78.2 46.9 -72.4 -43.3 20.2 8.3 24.4 15 15 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.813 111.5 54.1 -65.6 -31.3 17.4 9.4 26.7 16 16 A E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.905 106.5 50.7 -69.1 -41.6 20.0 11.0 29.0 17 17 A S H X S+ 0 0 52 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.929 112.2 47.6 -60.8 -45.4 21.4 13.0 26.1 18 18 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.895 108.1 55.9 -60.9 -40.7 17.8 14.2 25.4 19 19 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.890 106.6 50.2 -59.5 -40.4 17.3 15.0 29.1 20 20 A E H X S+ 0 0 79 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.866 109.0 51.2 -67.3 -36.2 20.4 17.2 29.0 21 21 A I H X S+ 0 0 44 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.862 109.9 49.7 -69.7 -37.3 19.1 19.1 25.9 22 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.911 111.3 49.4 -64.2 -44.0 15.7 19.7 27.6 23 23 A R H X S+ 0 0 71 -4,-2.2 4,-2.5 1,-0.2 8,-0.2 0.904 108.5 53.4 -62.0 -41.0 17.5 21.0 30.7 24 24 A D H < S+ 0 0 98 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.859 110.1 48.0 -61.4 -37.7 19.6 23.3 28.5 25 25 A E H < S+ 0 0 94 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.2 38.2 -70.1 -47.9 16.4 24.7 26.9 26 26 A F H < S- 0 0 12 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.809 121.9-106.2 -69.4 -32.9 14.6 25.3 30.2 27 27 A G >X - 0 0 20 -4,-2.5 4,-1.8 -5,-0.3 3,-1.6 -0.002 19.6 -95.9 108.0 144.6 17.8 26.4 31.9 28 28 A N T 34 S+ 0 0 102 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.810 123.2 51.1 -62.6 -31.5 20.0 24.8 34.5 29 29 A D T 34 S+ 0 0 152 1,-0.2 -26,-0.4 -3,-0.1 -1,-0.3 0.491 111.0 48.7 -88.9 -2.2 18.3 26.5 37.4 30 30 A V T <4 S+ 0 0 44 -3,-1.6 -26,-2.8 1,-0.2 2,-0.5 0.747 111.8 44.3-101.3 -36.0 14.8 25.5 36.3 31 31 A V E < -a 4 0A 2 -4,-1.8 2,-0.5 -8,-0.2 -1,-0.2 -0.957 61.5-164.2-119.2 129.4 15.3 21.8 35.7 32 32 A T E -a 5 0A 51 -28,-2.3 -26,-2.8 -2,-0.5 2,-0.3 -0.960 19.8-136.1-109.6 127.8 17.2 19.3 37.9 33 33 A L E -a 6 0A 35 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.635 19.3-173.2 -85.0 135.5 18.1 16.0 36.3 34 34 A H E -a 7 0A 36 -28,-2.7 -26,-2.1 -2,-0.3 2,-0.5 -0.957 15.8-149.0-131.6 111.7 17.5 12.8 38.3 35 35 A D E >> -a 8 0A 41 -2,-0.4 3,-1.8 -28,-0.2 4,-0.8 -0.706 13.3-145.6 -75.3 122.0 18.8 9.4 36.9 36 36 A V T 34 S+ 0 0 7 -28,-2.7 -27,-0.1 -2,-0.5 -1,-0.1 0.572 92.3 76.8 -75.1 -6.8 16.3 6.9 38.3 37 37 A S T 34 S+ 0 0 56 -29,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.725 114.2 22.6 -65.7 -23.1 19.1 4.3 38.7 38 38 A Q T <4 S+ 0 0 175 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.438 104.4 104.8-121.8 -2.1 20.0 6.3 41.8 39 39 A A < - 0 0 20 -4,-0.8 2,-0.4 -5,-0.0 -5,-0.0 -0.426 58.2-140.2 -83.3 152.6 16.8 8.1 42.6 40 40 A E > - 0 0 129 -2,-0.1 3,-2.1 1,-0.1 4,-0.4 -0.874 24.6-120.8-100.7 146.6 14.4 7.3 45.5 41 41 A V G > S+ 0 0 7 -2,-0.4 3,-1.5 1,-0.3 4,-0.2 0.807 112.2 65.7 -57.9 -30.4 10.6 7.6 44.8 42 42 A T G > S+ 0 0 68 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.638 81.3 78.4 -68.1 -15.4 10.4 10.2 47.6 43 43 A D G X S+ 0 0 37 -3,-2.1 3,-1.7 1,-0.2 -1,-0.3 0.823 82.3 67.2 -56.0 -31.7 12.6 12.5 45.4 44 44 A L G X S+ 0 0 1 -3,-1.5 3,-1.3 -4,-0.4 -1,-0.2 0.730 84.4 71.4 -63.8 -24.3 9.3 13.2 43.5 45 45 A N G < S+ 0 0 91 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.702 86.1 67.9 -59.0 -23.9 8.0 14.9 46.7 46 46 A D G < S+ 0 0 93 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.2 0.487 97.6 59.5 -77.3 -4.5 10.4 17.8 45.9 47 47 A Y < - 0 0 14 -3,-1.3 -43,-0.1 -4,-0.1 -44,-0.1 -0.974 44.8-172.9-135.2 140.3 8.6 18.9 42.8 48 48 A Q S S+ 0 0 96 -45,-0.6 34,-2.1 -2,-0.4 2,-0.4 0.457 90.4 53.7 -97.8 -9.9 5.2 20.2 41.6 49 49 A Y E S-bc 4 82A 67 -46,-0.8 -44,-2.3 32,-0.2 2,-0.4 -0.997 73.2-177.5-126.8 126.7 6.3 20.0 38.0 50 50 A L E -bc 5 83A 0 32,-2.3 34,-2.4 -2,-0.4 2,-0.4 -0.930 20.8-163.1-126.0 144.6 7.8 16.8 36.6 51 51 A I E -bc 6 84A 0 -46,-2.5 -44,-2.4 -2,-0.4 2,-0.6 -0.998 16.4-159.9-122.0 122.5 9.3 15.6 33.3 52 52 A I E -bc 7 85A 0 32,-2.8 34,-2.5 -2,-0.4 2,-0.5 -0.927 7.6-170.4-106.7 119.1 9.4 11.8 33.1 53 53 A G E +bc 8 86A 0 -46,-2.8 -44,-1.6 -2,-0.6 34,-0.2 -0.956 16.6 151.9-116.0 125.0 11.9 10.4 30.5 54 54 A C - 0 0 0 32,-2.1 48,-0.4 -2,-0.5 2,-0.2 -0.942 29.0-148.8-156.4 126.8 11.9 6.7 29.6 55 55 A P - 0 0 6 0, 0.0 8,-1.0 0, 0.0 2,-0.5 -0.540 29.0-114.9 -85.5 163.7 12.9 4.7 26.5 56 56 A T E -F 62 0B 25 32,-0.9 6,-0.2 -2,-0.2 2,-0.2 -0.869 35.1-170.4-103.1 129.9 11.1 1.4 25.7 57 57 A W E > -F 61 0B 59 4,-2.5 4,-2.4 -2,-0.5 3,-0.3 -0.562 46.8 -9.5-118.4-177.2 13.2 -1.7 25.8 58 58 A N T 4 S- 0 0 12 1,-0.3 230,-0.1 -2,-0.2 -1,-0.1 -0.275 128.3 -17.2 -67.3 109.0 12.8 -5.3 24.8 59 59 A I T 4 S- 0 0 29 -2,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.504 118.0 -42.1-131.8 140.8 9.9 -5.2 24.2 60 60 A G T 4 S+ 0 0 8 -3,-0.3 2,-0.3 1,-0.3 -2,-0.2 0.666 99.8 127.2 67.0 19.3 7.2 -2.8 25.0 61 61 A E E < -F 57 0B 64 -4,-2.4 -4,-2.5 1,-0.1 -1,-0.3 -0.706 67.2 -98.8-107.9 155.7 8.8 -2.7 28.5 62 62 A L E -F 56 0B 12 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.409 51.2 -91.6 -62.6 143.6 10.0 0.1 30.7 63 63 A Q >> - 0 0 0 -8,-1.0 4,-2.4 1,-0.1 3,-0.6 -0.340 49.1-105.4 -51.2 140.7 13.8 0.7 30.8 64 64 A S H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.796 117.0 48.1 -52.0 -43.4 15.2 -1.4 33.6 65 65 A D H 3> S+ 0 0 53 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.903 114.1 46.5 -66.5 -41.1 15.8 1.4 36.1 66 66 A W H <> S+ 0 0 0 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.844 108.8 56.6 -65.7 -35.3 12.3 2.9 35.6 67 67 A E H X S+ 0 0 58 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.921 105.9 52.2 -59.9 -42.3 10.9 -0.7 35.9 68 68 A G H < S+ 0 0 37 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.846 115.3 39.1 -60.3 -38.5 12.6 -0.9 39.3 69 69 A L H < S+ 0 0 7 -4,-1.4 4,-0.5 1,-0.2 3,-0.5 0.625 96.2 83.2 -88.5 -16.6 11.0 2.4 40.5 70 70 A Y H >< S+ 0 0 72 -4,-1.6 3,-1.3 1,-0.2 4,-0.2 0.884 88.4 51.4 -58.1 -45.1 7.6 1.8 38.9 71 71 A S G >< S+ 0 0 81 -4,-0.7 3,-0.8 1,-0.3 -1,-0.2 0.811 105.9 56.7 -63.3 -32.0 6.3 -0.4 41.8 72 72 A E G > S+ 0 0 87 -3,-0.5 3,-1.9 -4,-0.3 -1,-0.3 0.550 80.2 89.9 -76.8 -8.6 7.3 2.2 44.3 73 73 A L G X S+ 0 0 0 -3,-1.3 3,-1.0 -4,-0.5 -1,-0.2 0.736 77.8 64.5 -63.4 -22.1 5.2 4.9 42.6 74 74 A D G < S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.587 89.6 67.5 -73.5 -11.5 2.2 3.9 44.8 75 75 A D G < S+ 0 0 120 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.2 0.426 102.1 53.7 -84.7 -0.6 4.1 5.0 47.9 76 76 A V S < S- 0 0 6 -3,-1.0 2,-0.3 -4,-0.1 -34,-0.0 -0.966 75.8-133.9-138.0 148.0 3.9 8.6 46.7 77 77 A D - 0 0 91 -2,-0.3 36,-0.1 1,-0.1 35,-0.0 -0.724 6.7-164.8-103.1 154.0 1.1 11.0 45.7 78 78 A F > + 0 0 0 34,-2.0 3,-2.3 -2,-0.3 37,-0.3 0.135 33.3 151.0-122.7 16.9 1.0 13.3 42.6 79 79 A N T 3 S+ 0 0 116 1,-0.3 35,-0.1 33,-0.3 3,-0.1 -0.267 75.5 6.7 -50.1 129.5 -2.0 15.5 43.7 80 80 A G T 3 S+ 0 0 65 33,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.303 99.6 130.0 79.2 -9.6 -1.6 19.0 42.2 81 81 A K < - 0 0 8 -3,-2.3 34,-2.4 32,-0.1 2,-0.5 -0.502 50.2-145.7 -77.4 145.4 1.5 18.0 40.0 82 82 A L E -cd 49 115A 34 -34,-2.1 -32,-2.3 32,-0.2 2,-0.4 -0.955 24.1-168.0-102.7 133.4 1.7 18.7 36.3 83 83 A V E -cd 50 116A 0 32,-2.4 34,-2.3 -2,-0.5 2,-0.3 -0.987 12.1-173.5-132.9 128.4 3.6 16.0 34.6 84 84 A A E -c 51 0A 0 -34,-2.4 -32,-2.8 -2,-0.4 2,-0.3 -0.816 12.1-149.4-115.3 162.1 5.1 15.7 31.1 85 85 A Y E +c 52 0A 0 32,-0.4 56,-2.0 54,-0.3 2,-0.3 -0.956 15.7 173.4-134.9 142.7 6.7 12.7 29.4 86 86 A F E +ce 53 141A 0 -34,-2.5 -32,-2.1 -2,-0.3 2,-0.3 -0.985 6.5 175.3-144.0 152.2 9.3 12.1 26.8 87 87 A G E - e 0 142A 0 54,-2.1 56,-2.9 -2,-0.3 2,-0.3 -0.993 25.3-133.5-147.0 155.7 11.0 9.0 25.4 88 88 A T E + e 0 143A 9 -2,-0.3 -32,-0.9 54,-0.2 2,-0.3 -0.805 39.9 150.3 -99.3 156.1 13.4 7.8 22.9 89 89 A G - 0 0 12 54,-1.0 2,-0.6 -2,-0.3 57,-0.5 -0.967 46.8-105.9-171.1 175.9 12.5 4.8 20.8 90 90 A D > - 0 0 37 -2,-0.3 4,-1.8 -34,-0.1 7,-0.2 -0.916 24.1-177.1-126.3 100.1 12.9 3.0 17.4 91 91 A Q T 4 S+ 0 0 4 -2,-0.6 37,-0.2 2,-0.2 -1,-0.1 0.698 83.2 47.5 -73.4 -21.7 9.8 3.3 15.2 92 92 A I T >4 S+ 0 0 101 2,-0.1 3,-0.6 1,-0.1 -1,-0.2 0.921 119.6 34.8 -82.7 -51.6 11.3 1.2 12.4 93 93 A G T 34 S+ 0 0 46 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.727 132.4 29.8 -75.7 -24.0 12.6 -1.7 14.4 94 94 A Y T >< S+ 0 0 101 -4,-1.8 3,-1.2 1,-0.1 -1,-0.2 -0.426 70.3 149.4-136.9 57.1 9.8 -1.7 17.1 95 95 A A T < S+ 0 0 18 -3,-0.6 34,-2.4 1,-0.3 33,-2.1 0.693 72.6 52.9 -70.8 -23.5 6.8 -0.3 15.2 96 96 A D T 3 S+ 0 0 98 32,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.544 120.9 31.3 -87.2 -9.5 4.2 -2.3 17.2 97 97 A N S X S+ 0 0 50 -3,-1.2 3,-1.5 -7,-0.2 2,-0.4 -0.060 78.0 159.4-138.3 31.4 5.6 -1.0 20.6 98 98 A F T 3 S- 0 0 1 31,-1.4 34,-0.5 -3,-0.4 -9,-0.1 -0.481 78.1 -12.4 -70.7 117.9 6.9 2.5 19.7 99 99 A Q T 3> S+ 0 0 1 -2,-0.4 4,-1.1 -11,-0.1 3,-0.4 0.706 83.6 147.8 64.9 27.1 7.2 4.6 22.9 100 100 A D H <> + 0 0 2 -3,-1.5 4,-2.3 1,-0.2 3,-0.3 0.877 61.2 67.6 -55.4 -38.4 5.1 2.1 25.0 101 101 A A H > S+ 0 0 0 -4,-0.3 4,-2.4 -40,-0.3 -1,-0.2 0.888 98.6 46.3 -55.7 -49.3 7.2 3.1 28.1 102 102 A I H > S+ 0 0 0 -3,-0.4 4,-2.4 -48,-0.4 -1,-0.3 0.841 111.5 54.6 -65.6 -30.6 5.9 6.7 28.5 103 103 A G H X S+ 0 0 2 -4,-1.1 4,-2.0 -3,-0.3 -2,-0.2 0.921 109.4 46.9 -62.5 -44.5 2.4 5.4 28.0 104 104 A I H X S+ 0 0 37 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.905 114.2 46.8 -65.0 -43.5 2.8 2.9 30.8 105 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.910 112.2 49.3 -67.2 -42.3 4.3 5.5 33.2 106 106 A E H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.866 105.0 58.5 -66.8 -37.4 1.6 8.1 32.4 107 107 A E H X S+ 0 0 112 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.929 113.6 39.2 -54.4 -46.2 -1.1 5.6 33.0 108 108 A K H X S+ 0 0 19 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.946 116.7 47.2 -69.4 -52.0 0.2 5.0 36.5 109 109 A I H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 -2,-0.2 0.850 112.9 48.8 -65.5 -36.2 1.1 8.6 37.4 110 110 A S H ><5S+ 0 0 39 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.836 106.9 56.3 -73.2 -32.2 -2.2 10.0 36.2 111 111 A Q H 3<5S+ 0 0 117 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.784 105.7 53.9 -63.5 -27.6 -4.1 7.3 38.2 112 112 A R T 3<5S- 0 0 55 -4,-1.2 -34,-2.0 -3,-0.1 -33,-0.3 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