==== 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 TRANSFERASE (ACYLTRANSFERASE) 03-AUG-95 1QCA . COMPND 2 MOLECULE: TYPE III CHLORAMPHENICOL ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR A.G.W.LESLIE . 211 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 0.9 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 2 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A M 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.1 23.9 24.9 7.3 2 7 A N + 0 0 72 78,-0.0 79,-2.5 79,-0.0 80,-0.5 -0.064 360.0 55.6 -90.3 29.3 22.2 23.8 10.5 3 8 A Y E -A 80 0A 46 77,-0.3 2,-0.3 78,-0.1 77,-0.2 -0.981 68.9-141.0-156.5 156.3 22.7 20.0 9.8 4 9 A T E -A 79 0A 76 75,-2.1 75,-2.2 -2,-0.3 2,-0.3 -0.959 27.4-111.3-122.9 143.8 25.6 17.6 8.9 5 10 A K E -A 78 0A 134 -2,-0.3 2,-0.3 73,-0.2 73,-0.3 -0.537 39.3-123.4 -77.0 134.8 25.5 14.7 6.4 6 11 A F - 0 0 56 71,-3.2 2,-1.8 -2,-0.3 71,-0.2 -0.623 11.2-124.1 -80.8 135.4 25.8 11.5 8.3 7 12 A D > + 0 0 99 -2,-0.3 3,-0.5 1,-0.2 4,-0.4 -0.512 38.3 170.2 -76.7 80.5 28.6 9.0 7.5 8 13 A V G > + 0 0 44 -2,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.793 66.8 60.7 -67.6 -26.5 26.4 6.0 6.7 9 14 A K G 3 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 5,-0.1 0.802 112.0 36.1 -75.1 -28.2 29.2 3.8 5.3 10 15 A N G < S+ 0 0 99 -3,-0.5 -1,-0.2 4,-0.0 2,-0.2 0.348 91.6 118.8-105.4 12.8 31.3 3.7 8.5 11 16 A W X - 0 0 35 -3,-0.6 3,-1.4 -4,-0.4 4,-0.2 -0.578 65.2-136.7 -77.7 138.8 28.3 3.7 10.9 12 17 A V T 3 S+ 0 0 134 1,-0.3 3,-0.3 -2,-0.2 4,-0.2 0.742 105.0 49.2 -64.7 -30.8 27.9 0.7 13.1 13 18 A R T 3> S+ 0 0 16 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.112 73.7 117.0 -90.8 16.4 24.2 0.5 12.4 14 19 A R H <> S+ 0 0 46 -3,-1.4 4,-2.0 1,-0.2 5,-0.3 0.927 78.8 45.9 -61.1 -35.5 24.5 0.7 8.6 15 20 A E H > S+ 0 0 159 -3,-0.3 4,-2.6 -4,-0.2 -1,-0.2 0.981 113.1 49.4 -68.1 -44.1 23.0 -2.8 8.1 16 21 A H H > S+ 0 0 80 1,-0.2 4,-2.7 -4,-0.2 5,-0.3 0.869 108.0 55.2 -57.8 -42.1 20.2 -2.1 10.5 17 22 A F H X S+ 0 0 12 -4,-2.2 4,-1.3 2,-0.2 5,-0.2 0.969 112.1 40.8 -59.9 -55.9 19.4 1.2 8.8 18 23 A E H X>S+ 0 0 100 -4,-2.0 4,-2.5 1,-0.2 5,-1.4 0.892 115.8 54.1 -60.0 -41.6 18.9 -0.4 5.3 19 24 A F H <>S+ 0 0 75 -4,-2.6 5,-3.4 -5,-0.3 4,-0.4 0.961 117.1 32.3 -55.1 -59.1 17.1 -3.4 6.9 20 25 A Y H <5S+ 0 0 55 -4,-2.7 6,-1.1 3,-0.2 169,-0.4 0.565 119.2 53.8 -81.7 -9.3 14.4 -1.4 8.8 21 26 A R H <5S- 0 0 44 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.853 134.1 -4.8 -89.8 -38.2 14.2 1.5 6.2 22 27 A H T <5S+ 0 0 99 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.800 128.1 52.5-131.1 -37.4 13.6 -0.8 3.1 23 28 A R T + 0 0 1 142,-2.8 4,-2.0 -2,-0.7 5,-0.2 0.149 42.6 113.8-106.5 23.1 7.6 13.6 38.3 37 42 A T H > S+ 0 0 56 141,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.956 84.6 38.8 -57.9 -53.6 7.5 13.8 42.1 38 43 A T H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 113.0 55.5 -61.4 -46.8 10.7 16.0 42.3 39 44 A L H > S+ 0 0 0 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.865 104.2 54.7 -55.6 -41.4 9.8 18.1 39.2 40 45 A K H X S+ 0 0 69 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.897 107.6 50.5 -59.1 -43.8 6.4 19.0 40.9 41 46 A K H X S+ 0 0 53 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.950 111.2 46.6 -59.3 -57.7 8.3 20.3 43.9 42 47 A S H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 112.5 51.8 -55.5 -34.7 10.7 22.4 41.7 43 48 A L H >< S+ 0 0 15 -4,-2.3 3,-1.7 -5,-0.2 -1,-0.2 0.938 105.9 54.8 -68.0 -42.6 7.6 23.7 39.8 44 49 A D H 3< S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.815 106.6 51.3 -56.5 -38.3 6.0 24.6 43.2 45 50 A D T 3< S+ 0 0 116 -4,-1.7 -1,-0.3 -5,-0.1 2,-0.3 0.050 113.4 50.9 -87.8 24.2 9.0 26.7 44.1 46 51 A S S < S- 0 0 45 -3,-1.7 -3,-0.0 2,-0.2 0, 0.0 -0.822 81.0-117.5-147.1-174.7 8.9 28.6 40.8 47 52 A A S S+ 0 0 103 -2,-0.3 2,-0.1 2,-0.1 -4,-0.1 0.364 76.4 113.5-109.6 -0.9 6.7 30.6 38.5 48 53 A Y - 0 0 42 -5,-0.1 2,-0.3 1,-0.1 -2,-0.2 -0.335 60.7-134.6 -71.9 147.5 7.1 28.1 35.6 49 54 A K > - 0 0 84 -2,-0.1 4,-1.5 1,-0.1 5,-0.1 -0.751 19.0-112.4-104.6 156.3 4.1 26.1 34.4 50 55 A F H > S+ 0 0 44 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.818 105.6 50.0 -51.3 -55.8 4.0 22.4 33.7 51 56 A Y H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 112.7 45.4 -58.7 -58.1 3.5 22.1 29.9 52 57 A P H > S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.805 113.6 51.8 -53.8 -36.1 6.2 24.6 28.9 53 58 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.953 111.0 45.8 -69.0 -49.7 8.6 22.9 31.3 54 59 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.866 111.6 52.5 -61.0 -43.9 8.0 19.4 30.0 55 60 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.966 112.1 47.0 -54.6 -51.7 8.3 20.7 26.4 56 61 A Y H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.952 114.6 45.0 -55.3 -54.9 11.7 22.2 27.3 57 62 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.861 113.9 48.7 -61.1 -41.1 13.0 19.1 29.1 58 63 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.966 114.6 46.6 -62.8 -52.4 11.8 16.7 26.2 59 64 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.872 111.3 53.1 -57.6 -40.9 13.5 19.1 23.7 60 65 A Q H X S+ 0 0 54 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.979 110.8 44.9 -59.0 -50.2 16.6 19.2 25.9 61 66 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.4 0.938 113.5 50.6 -60.5 -47.1 16.9 15.3 26.0 62 67 A V H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 6,-0.3 0.900 103.8 58.9 -55.1 -46.5 16.2 15.0 22.3 63 68 A N H 3< S+ 0 0 31 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.541 99.3 61.8 -61.1 -13.2 18.9 17.6 21.5 64 69 A Q T << S+ 0 0 64 -3,-1.2 2,-0.5 -4,-0.5 -1,-0.3 0.620 97.1 60.5 -91.8 -11.9 21.4 15.4 23.3 65 70 A F X - 0 0 26 -3,-2.1 3,-0.8 -4,-0.4 -1,-0.1 -0.980 61.4-155.9-127.2 123.8 21.1 12.3 21.0 66 71 A D G > S+ 0 0 74 -2,-0.5 3,-2.1 1,-0.2 14,-0.2 0.800 92.0 64.8 -56.6 -42.5 21.9 12.3 17.3 67 72 A E G 3 S+ 0 0 22 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.717 100.1 53.8 -57.1 -24.2 19.7 9.3 16.5 68 73 A L G < S+ 0 0 7 -3,-0.8 -1,-0.3 -6,-0.3 -2,-0.2 0.415 107.5 51.1 -89.5 2.3 16.6 11.4 17.5 69 74 A R S < S+ 0 0 19 -3,-2.1 11,-2.8 94,-0.1 2,-0.2 -0.061 80.5 125.3-130.8 31.9 17.5 14.2 15.1 70 75 A M E +B 79 0A 6 -3,-0.5 2,-0.3 92,-0.3 9,-0.2 -0.610 28.2 164.1 -93.1 156.4 18.0 12.3 11.8 71 76 A A E -B 78 0A 19 7,-1.9 7,-3.1 -2,-0.2 2,-0.6 -0.962 40.3-108.4-161.9 165.4 16.3 13.1 8.6 72 77 A I E +B 77 0A 42 88,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.939 38.4 174.3 -99.9 119.4 16.4 12.4 4.9 73 78 A K E > S-B 76 0A 46 3,-3.1 3,-1.9 -2,-0.6 -2,-0.1 -0.989 72.1 -11.7-129.8 122.0 17.4 15.6 3.0 74 80 A D T 3 S- 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.888 129.3 -56.6 56.8 44.0 18.0 15.4 -0.8 75 81 A D T 3 S+ 0 0 147 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.617 118.2 113.7 59.0 21.7 17.9 11.6 -0.5 76 82 A E E < S- B 0 73A 82 -3,-1.9 -3,-3.1 0, 0.0 2,-0.6 -0.873 72.2-113.4-121.0 151.8 20.7 11.7 2.1 77 83 A L E + B 0 72A 11 -2,-0.3 -71,-3.2 -71,-0.2 2,-0.3 -0.701 45.2 172.7 -80.0 122.0 20.9 10.8 5.8 78 84 A I E -AB 5 71A 0 -7,-3.1 -7,-1.9 -2,-0.6 2,-0.4 -0.864 29.3-139.8-127.4 165.9 21.5 13.9 7.9 79 85 A V E -AB 4 70A 6 -75,-2.2 -75,-2.1 -2,-0.3 -9,-0.2 -0.994 22.8-131.1-124.5 125.1 21.6 15.0 11.5 80 86 A W E -A 3 0A 13 -11,-2.8 -77,-0.3 -2,-0.4 3,-0.2 -0.537 11.3-137.8 -69.5 137.3 20.1 18.3 12.6 81 87 A D S S- 0 0 92 -79,-2.5 2,-0.3 1,-0.3 -1,-0.1 0.879 88.5 -6.7 -66.2 -38.3 22.5 20.3 14.8 82 88 A S - 0 0 47 -80,-0.5 2,-0.3 -13,-0.1 -1,-0.3 -0.971 68.1-145.6-153.0 150.9 19.4 21.1 16.8 83 89 A V - 0 0 1 -2,-0.3 54,-0.3 -24,-0.2 -20,-0.1 -0.916 12.1-139.0-115.8 150.9 15.6 20.6 16.6 84 90 A D E -d 137 0B 33 52,-3.0 54,-1.5 -2,-0.3 2,-0.2 -0.822 29.2-107.7-106.5 146.0 12.8 22.9 17.8 85 91 A P E -d 138 0B 0 0, 0.0 17,-1.4 0, 0.0 2,-0.5 -0.478 22.0-160.4 -70.9 140.5 9.7 21.5 19.5 86 92 A C E +dE 139 101B 14 52,-2.9 54,-2.6 15,-0.2 2,-0.3 -0.999 25.9 177.6-116.8 119.9 6.4 21.4 17.6 87 93 A F E -dE 140 100B 1 13,-2.8 13,-3.0 -2,-0.5 2,-0.2 -0.903 28.3-108.4-132.4 155.4 3.5 21.1 20.3 88 94 A T E - E 0 99B 27 52,-1.1 2,-0.4 -2,-0.3 11,-0.2 -0.528 23.1-162.9 -84.6 146.0 -0.2 21.0 20.4 89 95 A V E - E 0 98B 14 9,-2.3 9,-2.1 -2,-0.2 2,-0.4 -0.999 12.0-143.3-130.5 123.5 -2.4 23.8 21.7 90 96 A F E - E 0 97B 84 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.744 3.3-149.8 -91.0 139.6 -6.0 23.2 22.7 91 97 A H E >> - E 0 96B 6 5,-2.9 4,-2.4 -2,-0.4 5,-1.0 -0.952 3.8-163.4-105.9 102.9 -8.6 25.9 22.0 92 98 A Q T 45S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.835 86.5 59.6 -59.7 -32.1 -11.3 25.5 24.6 93 99 A E T 45S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.873 121.5 19.9 -63.1 -42.6 -13.6 27.6 22.5 94 100 A T T 45S- 0 0 69 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.579 97.0-130.6-105.1 -9.7 -13.7 25.5 19.4 95 101 A E T <5S+ 0 0 149 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.827 71.3 116.4 59.9 38.2 -12.5 22.3 21.2 96 102 A T E < -E 91 0B 64 -5,-1.0 -5,-2.9 -7,-0.0 2,-0.3 -0.822 57.1-129.8-128.1 167.8 -9.9 21.9 18.5 97 103 A F E -E 90 0B 110 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.822 10.9-161.4-121.1 165.3 -6.1 22.0 18.5 98 104 A S E -E 89 0B 2 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.5 -0.915 19.6-126.6-133.5 161.2 -3.4 23.7 16.6 99 105 A A E +E 88 0B 12 29,-3.1 32,-0.4 -2,-0.3 2,-0.3 -0.945 31.0 175.1-115.2 128.9 0.3 22.8 16.3 100 106 A L E -E 87 0B 4 -13,-3.0 -13,-2.8 -2,-0.5 2,-0.4 -0.878 12.3-159.6-129.3 156.6 2.9 25.5 17.1 101 107 A S E -E 86 0B 23 -2,-0.3 -15,-0.2 -15,-0.3 36,-0.0 -0.961 6.1-175.1-134.0 155.7 6.7 25.5 17.3 102 108 A C - 0 0 1 -17,-1.4 13,-0.1 -2,-0.4 12,-0.0 -0.984 39.2 -85.8-146.6 152.3 9.1 27.8 19.0 103 109 A P - 0 0 70 0, 0.0 2,-0.1 0, 0.0 11,-0.1 -0.267 41.0-127.2 -63.7 135.2 13.0 27.9 19.0 104 110 A Y - 0 0 38 10,-0.1 2,-0.3 -45,-0.0 -20,-0.1 -0.490 28.6-177.0 -76.6 150.7 14.7 25.7 21.5 105 111 A S - 0 0 27 -2,-0.1 6,-0.1 1,-0.1 -45,-0.1 -0.955 32.7-137.0-151.6 136.5 17.3 27.4 23.8 106 112 A S S S+ 0 0 96 -2,-0.3 2,-0.8 4,-0.1 -1,-0.1 0.699 91.4 84.5 -64.5 -25.0 19.5 25.7 26.4 107 113 A D S >> S- 0 0 81 1,-0.2 4,-2.5 -3,-0.1 3,-0.5 -0.745 73.6-153.8 -82.1 111.3 18.6 28.7 28.7 108 114 A I H 3> S+ 0 0 6 -2,-0.8 4,-2.0 1,-0.3 -1,-0.2 0.829 92.5 54.2 -57.4 -33.6 15.3 27.8 30.3 109 115 A D H 3> S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.825 108.2 46.7 -71.1 -39.3 14.4 31.5 30.7 110 116 A Q H <> S+ 0 0 61 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.828 110.5 54.8 -69.2 -32.8 15.0 32.3 27.1 111 117 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.959 106.6 51.2 -62.6 -43.6 12.9 29.3 26.1 112 118 A M H X S+ 0 0 18 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.848 107.7 53.0 -62.9 -37.4 10.0 30.5 28.3 113 119 A V H X S+ 0 0 85 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.907 110.3 46.5 -60.6 -48.1 10.2 33.9 26.6 114 120 A N H X S+ 0 0 32 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.933 112.8 51.1 -59.0 -49.5 10.0 32.2 23.1 115 121 A Y H X S+ 0 0 20 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.946 112.2 44.1 -55.9 -58.0 7.0 30.0 24.3 116 122 A L H X S+ 0 0 108 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.850 111.6 55.9 -57.4 -36.6 5.0 32.9 25.7 117 123 A S H X S+ 0 0 74 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.946 111.6 41.0 -64.5 -48.2 5.7 34.9 22.7 118 124 A V H X S+ 0 0 16 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.881 116.6 48.6 -65.7 -44.6 4.4 32.3 20.3 119 125 A M H X S+ 0 0 43 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.849 110.3 54.6 -59.0 -41.6 1.4 31.5 22.5 120 126 A E H >< S+ 0 0 49 -4,-2.8 3,-0.7 -5,-0.2 4,-0.3 0.991 111.9 41.9 -53.9 -66.5 0.8 35.3 22.8 121 127 A R H 3< S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.756 127.7 26.9 -54.7 -38.1 0.6 35.8 19.0 122 128 A Y H >< S+ 0 0 51 -4,-1.9 3,-1.3 1,-0.1 -1,-0.2 0.233 78.1 110.8-116.4 11.6 -1.5 32.7 18.1 123 129 A K T << S+ 0 0 84 -4,-1.3 -1,-0.1 -3,-0.7 -2,-0.1 0.803 89.6 45.3 -56.2 -31.1 -3.6 31.8 21.1 124 130 A S T 3 S+ 0 0 104 -4,-0.3 2,-0.6 -3,-0.2 -1,-0.3 0.581 89.3 106.8 -90.0 -10.0 -6.5 32.9 19.1 125 131 A D < - 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