==== 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 10-JUL-07 2V5V . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR B.HERGUEDAS,M.MARTINEZ-JULVEZ,I.PEREZ-DORADO,G.GONI,M.MEDINA . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 69.4 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 . 16 4.7 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 . 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 . 46 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 25.8 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 1 1 0 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 . 2 4 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 A 0 0 122 0, 0.0 4,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 148.9 -9.3 -4.6 31.4 2 2 A K - 0 0 78 2,-0.1 28,-0.1 1,-0.1 29,-0.1 -0.127 360.0-108.3 -68.4 166.5 -7.2 -5.2 28.3 3 3 A K S S+ 0 0 121 1,-0.1 46,-1.0 44,-0.1 45,-0.5 0.866 98.9 48.5 -62.6 -44.2 -4.4 -7.9 28.2 4 4 A I E -ab 31 49A 0 26,-2.8 28,-2.6 44,-0.1 2,-0.6 -0.895 63.1-160.1-112.1 128.0 -1.4 -5.5 28.2 5 5 A G E -ab 32 50A 0 44,-2.1 46,-2.6 -2,-0.5 2,-0.6 -0.920 9.3-166.0-102.5 118.2 -0.8 -2.6 30.5 6 6 A L E -ab 33 51A 0 26,-2.8 28,-2.7 -2,-0.6 2,-0.6 -0.932 3.9-171.0-107.3 115.1 1.8 -0.1 29.1 7 7 A F E +ab 34 52A 0 44,-2.7 46,-2.6 -2,-0.6 2,-0.3 -0.919 13.9 170.6-112.7 109.9 3.1 2.3 31.8 8 8 A Y E -ab 35 53A 18 26,-2.9 28,-2.9 -2,-0.6 2,-0.3 -0.855 21.6-155.2-121.0 154.8 5.2 5.2 30.4 9 9 A G + 0 0 0 44,-1.4 2,-0.3 -2,-0.3 6,-0.1 -0.934 18.7 170.7-121.9 155.8 6.8 8.4 31.6 10 10 A T - 0 0 17 -2,-0.3 55,-0.1 5,-0.1 27,-0.1 -0.987 26.8-179.2-159.5 148.5 7.7 11.4 29.5 11 11 A Q S S+ 0 0 127 -2,-0.3 -1,-0.1 53,-0.0 52,-0.0 0.689 95.6 25.3-110.9 -51.9 8.9 15.0 29.9 12 12 A T S S- 0 0 114 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.231 108.6-109.6-106.6 11.8 9.2 16.2 26.2 13 13 A G S > S+ 0 0 20 1,-0.1 4,-2.3 4,-0.0 5,-0.1 0.268 87.2 110.3 90.4 -8.4 6.8 13.7 24.6 14 14 A K H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 80.4 49.2 -74.3 -37.0 9.1 11.4 22.7 15 15 A T H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 111.5 51.3 -64.3 -38.1 8.5 8.3 25.0 16 16 A E H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.908 107.9 51.8 -65.2 -40.9 4.8 9.0 24.6 17 17 A S H X S+ 0 0 53 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.927 112.1 45.5 -61.3 -44.7 5.0 9.1 20.8 18 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.898 108.4 57.8 -60.0 -47.2 6.8 5.7 20.8 19 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.878 106.7 48.7 -48.0 -46.6 4.3 4.3 23.3 20 20 A E H X S+ 0 0 82 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.879 109.5 51.5 -66.2 -41.8 1.5 5.1 20.8 21 21 A I H X S+ 0 0 49 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.921 110.9 49.1 -57.5 -44.7 3.3 3.5 17.9 22 22 A I H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.950 110.0 50.9 -60.2 -49.3 3.8 0.3 20.1 23 23 A R H < S+ 0 0 80 -4,-2.5 3,-0.4 1,-0.2 7,-0.3 0.923 114.3 44.1 -50.9 -52.6 0.1 0.3 21.0 24 24 A D H >< S+ 0 0 104 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 0.881 105.0 63.5 -62.4 -41.0 -0.8 0.5 17.3 25 25 A E H 3< S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 86.8 69.6 -56.6 -36.0 1.8 -2.1 16.3 26 26 A F T 3< S- 0 0 0 -4,-1.5 2,-2.8 -3,-0.4 -1,-0.3 0.727 88.0-158.9 -54.9 -18.5 0.0 -4.8 18.3 27 27 A G < + 0 0 64 -3,-2.4 -1,-0.2 -4,-0.2 2,-0.1 -0.370 67.6 76.0 72.9 -67.5 -2.7 -4.4 15.5 28 28 A N S S- 0 0 100 -2,-2.8 2,-2.0 -3,-0.1 3,-0.3 -0.476 100.4-106.9 -71.3 148.3 -5.4 -6.0 17.8 29 29 A D S S+ 0 0 110 1,-0.2 -1,-0.1 -2,-0.1 -5,-0.1 -0.488 77.0 124.0 -80.2 79.7 -6.7 -3.7 20.5 30 30 A V + 0 0 27 -2,-2.0 -26,-2.8 -7,-0.3 2,-0.4 0.395 47.7 83.7-122.1 -0.0 -5.0 -5.4 23.4 31 31 A V E -a 4 0A 2 -3,-0.3 2,-0.5 -8,-0.2 -26,-0.2 -0.912 50.7-164.5-112.9 133.9 -3.0 -2.5 25.1 32 32 A T E -a 5 0A 38 -28,-2.6 -26,-2.8 -2,-0.4 2,-0.4 -0.969 20.3-140.5-107.4 129.3 -4.0 0.2 27.6 33 33 A L E -a 6 0A 43 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.742 17.2-172.3 -89.8 139.0 -1.7 3.2 27.9 34 34 A H E -a 7 0A 36 -28,-2.7 -26,-2.9 -2,-0.4 2,-0.7 -0.998 17.5-147.3-130.3 122.5 -0.9 4.8 31.3 35 35 A D E >> -a 8 0A 22 -2,-0.4 3,-2.4 -28,-0.2 4,-1.8 -0.857 16.7-143.4 -85.3 118.9 1.1 8.0 31.9 36 36 A V T 34 S+ 0 0 10 -28,-2.9 -27,-0.1 -2,-0.7 -1,-0.1 0.589 97.3 67.7 -64.6 -14.1 2.8 7.4 35.2 37 37 A S T 34 S+ 0 0 63 -29,-0.3 -1,-0.3 1,-0.1 -28,-0.1 0.648 116.9 28.3 -67.6 -17.9 2.3 11.1 36.2 38 38 A Q T <4 S+ 0 0 159 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.1 0.656 106.6 90.6-115.9 -25.7 -1.3 10.2 36.3 39 39 A A < - 0 0 21 -4,-1.8 2,-0.3 1,-0.1 -5,-0.0 -0.151 64.2-132.9 -77.2 164.0 -1.3 6.5 37.2 40 40 A E > - 0 0 128 1,-0.1 3,-2.0 29,-0.0 4,-0.3 -0.894 23.4-117.2-115.0 154.9 -1.4 4.8 40.7 41 41 A V G > S+ 0 0 17 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 0.830 113.1 61.1 -61.2 -35.9 0.9 2.0 41.8 42 42 A T G > S+ 0 0 75 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.589 83.6 80.4 -70.3 -11.7 -2.1 -0.4 42.2 43 43 A D G X S+ 0 0 37 -3,-2.0 3,-1.1 1,-0.2 -1,-0.3 0.804 83.3 64.0 -62.5 -27.8 -2.9 -0.0 38.4 44 44 A L G X S+ 0 0 1 -3,-1.5 3,-1.3 -4,-0.3 -1,-0.2 0.768 88.3 68.7 -64.2 -26.3 -0.1 -2.6 37.8 45 45 A N G < S+ 0 0 80 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.752 87.1 69.5 -65.2 -19.4 -2.1 -5.2 39.7 46 46 A D G < S+ 0 0 97 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.2 0.645 94.2 62.0 -74.9 -13.4 -4.6 -5.2 36.8 47 47 A Y < - 0 0 12 -3,-1.3 -43,-0.1 -4,-0.2 -44,-0.1 -0.908 49.1-166.3-124.9 141.1 -2.3 -6.8 34.2 48 48 A Q S S+ 0 0 81 -45,-0.5 34,-2.1 -2,-0.4 2,-0.5 0.687 91.2 48.9 -81.2 -27.6 -0.5 -10.1 33.6 49 49 A Y E S-bc 4 82A 46 -46,-1.0 -44,-2.1 32,-0.2 2,-0.4 -0.980 75.3-173.9-118.6 126.2 1.6 -8.6 30.8 50 50 A L E -bc 5 83A 0 32,-2.2 34,-2.5 -2,-0.5 2,-0.5 -0.959 16.7-162.0-124.0 141.6 3.3 -5.3 31.4 51 51 A I E -bc 6 84A 0 -46,-2.6 -44,-2.7 -2,-0.4 2,-0.6 -0.994 13.7-158.1-120.0 125.8 5.2 -3.0 29.1 52 52 A I E -bc 7 85A 0 32,-3.5 34,-2.8 -2,-0.5 2,-0.5 -0.889 7.4-170.0-107.3 117.1 7.4 -0.4 31.0 53 53 A G E +bc 8 86A 0 -46,-2.6 -44,-1.4 -2,-0.6 34,-0.2 -0.903 16.6 152.8-112.9 126.4 8.4 2.8 29.1 54 54 A C - 0 0 0 32,-2.0 48,-0.3 -2,-0.5 2,-0.2 -0.915 29.2-149.6-155.4 121.9 11.0 5.2 30.5 55 55 A P - 0 0 14 0, 0.0 8,-0.6 0, 0.0 2,-0.5 -0.520 31.9-112.7 -79.6 161.8 13.5 7.8 29.2 56 56 A T E -F 62 0B 34 32,-0.9 2,-0.3 -2,-0.2 6,-0.2 -0.818 38.2-171.0 -95.8 131.7 16.8 8.5 31.1 57 57 A E E > +F 61 0B 35 4,-2.5 4,-2.4 -2,-0.5 32,-0.0 -0.801 55.3 13.6-118.6 159.4 17.0 12.0 32.6 58 58 A N T 4 S- 0 0 135 -2,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.763 126.2 -55.9 54.5 29.1 19.7 14.1 34.3 59 59 A I T 4 S- 0 0 104 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.991 126.9 -4.7 66.7 77.5 22.6 11.8 33.2 60 60 A G T 4 S+ 0 0 5 37,-0.3 2,-0.3 1,-0.3 -2,-0.2 0.550 103.9 120.8 92.4 10.7 21.8 8.3 34.4 61 61 A E E < -F 57 0B 97 -4,-2.4 -4,-2.5 1,-0.1 -1,-0.3 -0.714 65.8-101.3-106.6 157.9 18.6 8.9 36.4 62 62 A L E -F 56 0B 6 -2,-0.3 -6,-0.1 -6,-0.2 -1,-0.1 -0.388 51.7 -91.2 -65.9 150.1 15.0 7.7 36.2 63 63 A Q > - 0 0 0 -8,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.336 45.4-109.3 -60.3 144.6 12.4 10.0 34.6 64 64 A S H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.865 115.8 45.1 -50.9 -46.0 10.9 12.2 37.3 65 65 A D H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 114.2 48.7 -67.5 -40.6 7.4 10.6 37.3 66 66 A W H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 103.6 62.5 -66.1 -34.3 8.8 7.0 37.3 67 67 A E H X S+ 0 0 83 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.935 105.0 47.9 -50.2 -46.2 11.1 8.1 40.1 68 68 A G H < S+ 0 0 36 -4,-1.5 4,-0.2 -3,-0.2 -2,-0.2 0.901 114.0 44.3 -62.5 -46.3 7.9 8.7 42.2 69 69 A L H >< S+ 0 0 9 -4,-1.8 3,-1.3 1,-0.2 4,-0.2 0.797 104.5 64.3 -70.4 -30.8 6.3 5.3 41.3 70 70 A Y H >< S+ 0 0 19 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.899 94.8 58.2 -63.4 -40.9 9.5 3.4 41.8 71 71 A S T 3< S+ 0 0 76 -4,-1.2 -1,-0.3 1,-0.3 3,-0.3 0.644 106.6 51.9 -67.0 -11.3 9.6 4.2 45.5 72 72 A E T X S+ 0 0 96 -3,-1.3 3,-0.5 -4,-0.2 4,-0.4 0.399 87.8 83.3-104.7 1.5 6.1 2.5 45.7 73 73 A L T < + 0 0 0 -3,-1.8 -1,-0.1 -4,-0.2 -2,-0.1 0.458 61.8 86.9 -83.9 -4.7 7.1 -0.8 44.0 74 74 A D T 3 S+ 0 0 11 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.774 97.7 40.1 -72.6 -16.7 8.6 -2.7 47.0 75 75 A D S < S+ 0 0 90 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.722 88.5 106.0 -95.6 -32.0 5.1 -4.0 48.0 76 76 A V - 0 0 5 -4,-0.4 2,-0.9 1,-0.1 -34,-0.0 -0.282 68.9-128.8 -66.0 136.0 3.6 -4.8 44.6 77 77 A D + 0 0 91 1,-0.2 36,-0.1 36,-0.1 -1,-0.1 -0.786 36.6 163.1 -92.2 108.0 3.3 -8.5 43.7 78 78 A F > + 0 0 0 34,-1.2 3,-2.2 -2,-0.9 37,-0.3 0.359 24.5 143.0 -98.8 0.3 4.8 -9.1 40.3 79 79 A N T 3 S+ 0 0 102 33,-0.4 35,-0.2 1,-0.3 34,-0.1 -0.153 74.8 2.9 -54.6 133.1 5.2 -12.9 40.8 80 80 A G T 3 S+ 0 0 60 33,-0.9 -1,-0.3 1,-0.2 34,-0.1 0.277 99.9 126.2 73.6 -9.0 4.5 -14.8 37.6 81 81 A K < - 0 0 23 -3,-2.2 34,-2.5 32,-0.1 2,-0.4 -0.388 55.8-134.2 -75.3 156.9 4.0 -11.7 35.5 82 82 A L E -cd 49 115A 36 -34,-2.1 -32,-2.2 32,-0.2 2,-0.4 -0.956 24.5-168.1-113.0 135.8 5.9 -11.1 32.3 83 83 A V E -cd 50 116A 0 32,-3.1 34,-2.4 -2,-0.4 2,-0.3 -0.981 10.5-169.2-134.7 131.9 7.4 -7.6 31.8 84 84 A A E -c 51 0A 0 -34,-2.5 -32,-3.5 -2,-0.4 2,-0.4 -0.843 11.3-151.3-117.0 153.9 9.0 -5.9 28.8 85 85 A Y E +c 52 0A 0 32,-0.4 56,-1.9 54,-0.4 2,-0.3 -0.971 14.1 176.2-127.2 137.8 10.9 -2.6 28.8 86 86 A F E -ce 53 141A 0 -34,-2.8 -32,-2.0 -2,-0.4 2,-0.3 -0.997 7.3-178.8-135.9 149.6 11.4 0.2 26.3 87 87 A G E - e 0 142A 0 54,-2.3 56,-3.2 -2,-0.3 2,-0.4 -0.974 22.6-139.7-140.5 154.5 13.2 3.5 26.5 88 88 A T E + e 0 143A 7 -2,-0.3 -32,-0.9 54,-0.2 2,-0.3 -0.880 39.4 149.4-104.6 146.5 14.0 6.6 24.5 89 89 A G - 0 0 10 54,-1.2 2,-0.6 -2,-0.4 57,-0.5 -0.973 47.0-109.9-166.8 174.2 17.5 8.0 24.9 90 90 A D > - 0 0 37 -2,-0.3 4,-1.6 1,-0.1 7,-0.2 -0.907 21.6-175.8-127.1 96.4 20.3 9.9 23.3 91 91 A Q T 4 S+ 0 0 5 -2,-0.6 37,-0.2 1,-0.2 -1,-0.1 0.635 85.3 47.6 -69.6 -16.8 23.4 7.7 22.5 92 92 A I T >4 S+ 0 0 125 2,-0.1 3,-0.5 1,-0.1 -1,-0.2 0.858 116.4 40.0 -89.5 -45.0 25.5 10.6 21.2 93 93 A G T 34 S+ 0 0 45 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.744 131.3 26.6 -70.1 -27.4 24.8 13.2 24.0 94 94 A Y T >< + 0 0 118 -4,-1.6 3,-1.8 1,-0.1 -1,-0.2 -0.413 68.1 159.5-142.3 56.5 25.0 10.6 26.8 95 95 A A T < S+ 0 0 37 -3,-0.5 34,-2.4 1,-0.3 33,-2.1 0.698 76.4 48.9 -59.3 -25.3 27.3 7.8 25.5 96 96 A D T 3 S+ 0 0 89 32,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.464 119.3 35.2 -95.0 -1.7 28.1 6.5 29.1 97 97 A N S X S+ 0 0 41 -3,-1.8 3,-1.6 -7,-0.2 -37,-0.3 -0.054 75.4 159.1-139.0 29.9 24.5 6.4 30.3 98 98 A F T 3 S- 0 0 2 31,-1.5 34,-0.5 -3,-0.4 -9,-0.1 -0.473 79.1 -13.0 -73.1 121.8 22.5 5.3 27.3 99 99 A Q T >> S+ 0 0 1 -2,-0.3 4,-1.1 -11,-0.1 3,-0.5 0.706 84.6 149.4 60.4 27.6 19.1 3.8 28.4 100 100 A D H <> + 0 0 3 -3,-1.6 4,-2.0 1,-0.2 5,-0.2 0.857 61.6 66.3 -52.6 -40.9 20.2 3.5 32.1 101 101 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.6 -40,-0.2 -1,-0.2 0.890 96.1 49.8 -57.6 -44.5 16.6 4.0 33.3 102 102 A I H <> S+ 0 0 0 -3,-0.5 4,-2.6 -48,-0.3 -1,-0.2 0.877 110.8 53.1 -65.5 -32.0 15.1 0.8 31.9 103 103 A G H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.887 109.5 47.8 -63.6 -38.1 18.0 -1.1 33.5 104 104 A I H X S+ 0 0 26 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.957 114.5 46.0 -66.9 -47.5 17.2 0.6 36.9 105 105 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.912 113.2 49.7 -60.0 -43.1 13.5 -0.2 36.6 106 106 A E H X S+ 0 0 16 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.871 105.3 56.7 -68.3 -37.8 14.2 -3.8 35.5 107 107 A E H X S+ 0 0 100 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.892 113.1 42.2 -56.5 -40.5 16.6 -4.5 38.3 108 108 A K H X S+ 0 0 7 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.916 117.1 42.9 -75.5 -47.0 13.8 -3.5 40.8 109 109 A I H ><>S+ 0 0 1 -4,-2.5 5,-1.7 1,-0.2 3,-0.9 0.891 110.9 54.7 -72.3 -39.1 10.8 -5.3 39.1 110 110 A S H ><5S+ 0 0 49 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.889 104.3 56.4 -61.1 -39.4 12.7 -8.5 38.4 111 111 A Q H 3<5S+ 0 0 72 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.721 104.3 55.1 -58.3 -27.6 13.7 -8.7 42.1 112 112 A R T <<5S- 0 0 46 -3,-0.9 -34,-1.2 -4,-0.7 -33,-0.4 0.318 130.8 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