==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-NOV-09 3KKW . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR K.A.MAJOREK,M.CHRUSZCZ,A.JOACHIMIAK,W.MINOR,MIDWEST CENTER . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 25.3 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 1.2 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 . 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 24.1 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 1 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 2 1 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 0 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 -18 A S > 0 0 106 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.9 -11.0 41.3 31.2 2 -17 A H T 3 + 0 0 187 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.758 360.0 49.1 -63.9 -26.0 -11.2 37.7 30.3 3 -16 A H T 3 S+ 0 0 186 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.431 85.7 95.5-105.1 -0.2 -14.3 38.4 28.2 4 -15 A H S < S- 0 0 132 -3,-0.7 0, 0.0 2,-0.2 0, 0.0 -0.726 73.0-137.3 -75.5 141.4 -13.2 41.4 26.2 5 -14 A H S S+ 0 0 163 -2,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.895 74.9 105.3 -59.9 -38.3 -11.9 40.3 22.8 6 -13 A H 0 0 80 1,-0.1 -2,-0.2 -3,-0.1 0, 0.0 -0.072 360.0 360.0 -51.5 134.7 -9.0 42.8 23.2 7 -12 A H 0 0 209 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.441 360.0 360.0-113.6 360.0 -5.5 41.4 24.0 8 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 1 A M 0 0 115 0, 0.0 2,-0.5 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 72.1 1.8 29.3 13.9 10 2 A Q - 0 0 78 0, 0.0 56,-0.4 0, 0.0 2,-0.3 -0.701 360.0-173.2 -81.6 119.7 4.6 31.0 12.0 11 3 A L - 0 0 36 -2,-0.5 2,-0.3 54,-0.1 54,-0.2 -0.881 12.6-178.2-117.8 147.7 7.4 28.6 11.4 12 4 A S E -A 64 0A 62 52,-2.4 52,-2.8 -2,-0.3 2,-0.3 -0.856 11.5-149.1-129.3 171.5 10.9 28.9 10.0 13 5 A H E +A 63 0A 97 -2,-0.3 50,-0.2 50,-0.2 48,-0.0 -0.961 17.9 162.5-141.8 161.8 13.7 26.4 9.4 14 6 A R E -A 62 0A 73 48,-1.6 48,-2.7 -2,-0.3 3,-0.1 -0.959 49.3 -71.9-164.7 161.1 17.5 26.2 9.3 15 7 A P E -A 61 0A 95 0, 0.0 46,-0.3 0, 0.0 2,-0.1 -0.314 61.0 -99.1 -57.5 145.1 20.2 23.6 9.4 16 8 A A - 0 0 29 44,-2.3 2,-0.3 3,-0.0 44,-0.1 -0.414 42.5-160.4 -64.7 144.7 20.6 21.9 12.8 17 9 A E >> - 0 0 111 -2,-0.1 3,-1.5 -3,-0.1 4,-0.6 -0.822 32.8-103.4-125.5 159.5 23.5 23.3 14.9 18 10 A T G >4 S+ 0 0 120 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.902 119.2 59.4 -51.6 -41.7 25.5 22.0 17.8 19 11 A G G 34 S+ 0 0 64 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.754 99.6 57.1 -64.3 -20.1 23.5 24.2 20.2 20 12 A D G <> S+ 0 0 15 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.640 84.2 87.1 -78.5 -19.4 20.2 22.6 19.2 21 13 A L H S+ 0 0 141 -4,-0.4 4,-1.0 -3,-0.3 -1,-0.2 0.928 113.9 47.6 -60.5 -42.7 20.4 19.3 23.8 23 15 A T H >4 S+ 0 0 68 -4,-0.5 3,-0.9 1,-0.2 4,-0.3 0.953 114.6 44.3 -61.8 -54.2 16.9 20.6 22.9 24 16 A V H >< S+ 0 0 1 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.904 108.1 57.4 -59.6 -41.8 16.2 18.0 20.2 25 17 A A H 3< S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.735 101.0 61.0 -66.9 -16.9 17.6 15.1 22.3 26 18 A G T << S+ 0 0 40 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.514 83.8 83.7 -81.1 -3.5 14.9 16.1 24.9 27 19 A F < + 0 0 7 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.915 67.5 79.5 -73.1 -44.9 12.1 15.5 22.5 28 20 A P - 0 0 12 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.473 58.6-171.5 -70.8 124.6 11.5 11.7 22.9 29 21 A Q + 0 0 102 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.581 61.3 6.0 -95.4 -10.6 9.5 11.2 26.0 30 22 A D S > S- 0 0 66 1,-0.0 4,-2.3 14,-0.0 5,-0.2 -0.953 85.0 -87.8-162.5 170.4 9.6 7.4 26.4 31 23 A R H > S+ 0 0 162 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.825 122.9 54.5 -57.3 -38.5 11.2 4.3 24.9 32 24 A D H > S+ 0 0 97 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.951 108.3 47.6 -60.4 -52.3 8.3 4.0 22.3 33 25 A E H > S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.901 112.5 49.8 -55.5 -42.0 8.8 7.5 21.0 34 26 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.938 110.4 50.6 -65.5 -41.6 12.5 7.0 20.7 35 27 A F H < S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 107.2 53.8 -62.5 -40.5 12.0 3.8 18.9 36 28 A Y H < S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 90,-0.2 0.857 120.6 30.3 -62.5 -36.9 9.6 5.3 16.4 37 29 A C H < S+ 0 0 18 -4,-1.5 51,-1.0 -3,-0.3 -1,-0.2 0.642 138.7 17.0-100.3 -16.0 12.0 8.1 15.4 38 30 A Y >< - 0 0 23 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 -0.550 64.2-179.3-158.7 75.9 15.4 6.4 15.9 39 31 A P T 3 S+ 0 0 55 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.755 81.8 52.8 -63.9 -20.5 15.0 2.6 16.1 40 32 A K T 3 S+ 0 0 188 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.607 88.5 103.9 -88.6 -7.1 18.7 1.9 16.6 41 33 A A < - 0 0 11 -3,-1.7 2,-0.4 -7,-0.2 4,-0.1 -0.242 65.1-135.2 -71.0 156.3 19.0 4.3 19.6 42 34 A I - 0 0 122 2,-0.2 7,-0.1 4,-0.0 4,-0.1 -0.891 35.2 -82.8-114.2 139.6 19.2 3.1 23.1 43 35 A W S S+ 0 0 81 -2,-0.4 2,-0.1 2,-0.1 -12,-0.0 -0.749 108.4 50.3 -82.8 136.7 17.2 4.6 26.0 44 36 A P S S- 0 0 94 0, 0.0 -2,-0.2 0, 0.0 -1,-0.0 0.494 89.7-139.6 -78.6 147.6 18.0 7.0 27.5 45 37 A F - 0 0 26 -17,-0.2 2,-0.3 -20,-0.1 -2,-0.1 -0.254 24.2-173.8 -66.3 158.6 18.6 9.2 24.6 46 38 A S > - 0 0 45 1,-0.1 4,-2.1 -4,-0.1 5,-0.2 -0.987 40.2-108.3-153.3 160.7 21.6 11.5 24.6 47 39 A V H > S+ 0 0 38 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.883 117.4 57.6 -60.8 -38.9 23.3 14.2 22.6 48 40 A A H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 107.1 47.6 -62.3 -39.3 26.1 11.9 21.6 49 41 A Q H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 113.4 48.3 -66.8 -40.0 23.5 9.5 20.0 50 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.941 111.0 49.7 -61.5 -48.4 21.9 12.3 18.2 51 43 A A H X S+ 0 0 38 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.878 107.0 56.1 -61.0 -35.6 25.2 13.7 16.9 52 44 A A H X S+ 0 0 43 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.918 108.4 48.0 -64.1 -41.1 26.2 10.2 15.7 53 45 A A H X S+ 0 0 2 -4,-1.9 4,-0.9 2,-0.2 3,-0.4 0.938 110.4 50.7 -62.8 -49.1 23.0 10.1 13.6 54 46 A I H >< S+ 0 0 47 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.929 107.9 53.7 -54.0 -44.2 23.5 13.5 12.2 55 47 A A H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 113.4 42.4 -61.7 -33.7 27.1 12.6 11.2 56 48 A E H 3< S+ 0 0 149 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.496 115.5 54.5 -90.3 -7.8 25.9 9.5 9.3 57 49 A R S << S- 0 0 43 -3,-1.0 2,-0.3 -4,-0.9 19,-0.2 -0.380 74.0-122.6-117.9-173.1 22.9 11.2 7.6 58 50 A R E S+ B 0 75A 108 17,-1.8 17,-3.0 -2,-0.1 19,-0.1 -0.971 74.7 24.3-132.9 153.9 22.1 14.3 5.5 59 51 A G E - 0 0 25 -2,-0.3 2,-0.3 15,-0.2 14,-0.1 0.739 61.8-175.9 73.5 27.1 19.9 17.3 5.7 60 52 A S E + 0 0 16 -6,-0.2 -44,-2.3 15,-0.1 2,-0.3 -0.418 16.1 174.7 -64.8 120.3 19.5 17.6 9.4 61 53 A T E -AB 15 73A 11 12,-2.5 12,-1.6 -46,-0.3 2,-0.3 -0.966 22.6-149.5-135.0 141.9 17.1 20.6 9.8 62 54 A V E -AB 14 72A 0 -48,-2.7 -48,-1.6 -2,-0.3 2,-0.4 -0.857 9.7-141.5-111.0 149.3 15.3 22.3 12.7 63 55 A A E -AB 13 71A 0 8,-2.0 7,-2.8 -2,-0.3 8,-1.4 -0.932 21.3-162.2-104.9 135.7 11.9 24.0 12.7 64 56 A V E +AB 12 69A 24 -52,-2.8 -52,-2.4 -2,-0.4 2,-0.3 -0.937 13.9 172.7-124.0 134.3 11.7 27.2 14.8 65 57 A H E > S- B 0 68A 46 3,-2.3 3,-1.4 -2,-0.4 -54,-0.1 -0.977 71.2 -10.3-140.0 137.3 8.6 29.1 16.2 66 58 A D T 3 S- 0 0 139 -56,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.892 130.7 -50.9 48.9 44.4 8.5 32.0 18.6 67 59 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.726 115.3 109.6 66.1 27.6 12.2 31.5 19.4 68 60 A Q E < -B 65 0A 116 -3,-1.4 -3,-2.3 0, 0.0 2,-0.6 -0.996 69.9-126.0-132.7 136.7 12.0 27.8 20.1 69 61 A V E +B 64 0A 22 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.763 39.5 164.7 -74.6 114.7 13.4 24.7 18.2 70 62 A L E + 0 0 10 -7,-2.8 22,-2.6 -2,-0.6 2,-0.3 0.523 52.7 28.8-112.9 -16.2 10.2 22.6 17.9 71 63 A G E -BC 63 91A 0 -8,-1.4 -8,-2.0 20,-0.2 2,-0.3 -0.987 52.2-171.7-150.1 156.7 11.1 20.0 15.3 72 64 A F E +BC 62 90A 2 18,-2.1 18,-2.4 -2,-0.3 2,-0.3 -0.985 12.7 158.1-147.5 144.4 13.9 18.1 13.7 73 65 A A E +B 61 0A 0 -12,-1.6 -12,-2.5 -2,-0.3 2,-0.3 -0.974 5.8 173.0-157.9 162.6 14.3 15.8 10.7 74 66 A N E - C 0 87A 0 13,-2.2 13,-3.2 -2,-0.3 2,-0.5 -0.898 35.6 -95.7-152.4-177.5 16.9 14.4 8.3 75 67 A F E -BC 58 86A 0 -17,-3.0 -17,-1.8 -2,-0.3 11,-0.2 -0.947 22.2-176.5-105.9 132.6 17.4 11.9 5.5 76 68 A Y E S+ 0 0 84 9,-2.0 2,-0.3 -2,-0.5 10,-0.1 0.603 80.3 31.8-101.1 -11.8 18.8 8.5 6.3 77 69 A Q E + C 0 85A 84 8,-1.1 8,-2.6 45,-0.1 2,-0.3 -0.988 66.2 172.9-137.5 147.1 18.8 7.5 2.7 78 70 A W E + C 0 84A 62 -2,-0.3 2,-0.3 6,-0.3 6,-0.2 -0.982 6.3 178.0-152.9 131.1 19.5 9.7 -0.3 79 71 A Q E >> - C 0 83A 107 4,-2.0 3,-2.4 -2,-0.3 4,-1.1 -0.865 34.0-122.2-143.3 107.5 20.0 8.7 -4.0 80 72 A H T 34 S+ 0 0 129 -2,-0.3 37,-0.2 1,-0.3 36,-0.1 -0.179 94.5 9.5 -57.7 132.7 20.5 11.5 -6.4 81 73 A G T 34 S+ 0 0 28 35,-3.2 -1,-0.3 1,-0.1 36,-0.2 0.467 131.0 55.8 80.4 1.3 17.9 11.6 -9.2 82 74 A D T <4 S- 0 0 88 -3,-2.4 37,-2.1 34,-0.4 38,-1.1 0.618 102.4 -41.5-130.2 -79.9 15.8 8.9 -7.4 83 75 A F E < -Cd 79 120A 23 -4,-1.1 -4,-2.0 35,-0.2 2,-0.3 -0.989 30.2-143.0-154.6 163.2 14.6 9.3 -3.8 84 76 A C E -Cd 78 121A 0 36,-1.6 38,-2.8 -2,-0.3 2,-0.5 -0.932 17.2-142.5-126.3 154.7 15.3 10.4 -0.3 85 77 A A E -Cd 77 122A 0 -8,-2.6 -9,-2.0 -2,-0.3 -8,-1.1 -0.988 18.5-132.8-118.6 124.7 14.0 8.6 2.9 86 78 A L E +C 75 0A 8 36,-2.3 38,-0.5 -2,-0.5 2,-0.3 -0.628 32.5 170.6 -78.7 135.0 13.0 10.8 5.9 87 79 A G E +C 74 0A 10 -13,-3.2 -13,-2.2 -2,-0.3 3,-0.2 -0.861 46.8 30.0-138.0 173.1 14.3 9.9 9.3 88 80 A N E + 0 0 3 -51,-1.0 2,-0.7 -2,-0.3 -1,-0.1 0.813 63.7 178.7 48.8 40.0 14.5 11.1 12.9 89 81 A M E + 0 0 25 -53,-0.2 2,-0.4 -16,-0.1 -16,-0.2 -0.625 11.8 168.6 -76.8 112.1 11.3 13.1 12.7 90 82 A M E -C 72 0A 9 -18,-2.4 -18,-2.1 -2,-0.7 2,-0.4 -0.986 19.3-167.7-134.6 139.2 11.0 14.5 16.2 91 83 A V E -C 71 0A 20 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.980 32.9-103.3-130.6 139.3 8.7 17.2 17.7 92 84 A A > - 0 0 10 -22,-2.6 3,-1.9 -2,-0.4 -65,-0.1 -0.299 31.6-123.8 -58.1 140.6 8.9 19.0 21.0 93 85 A P G > S+ 0 0 62 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.768 109.7 54.3 -66.2 -21.5 6.3 17.6 23.5 94 86 A A G 3 S+ 0 0 98 1,-0.2 -2,-0.1 -24,-0.0 -24,-0.0 0.571 110.7 48.2 -81.9 -9.5 4.7 20.9 24.1 95 87 A A G X S+ 0 0 4 -3,-1.9 3,-0.9 -25,-0.1 5,-0.4 -0.031 75.5 138.2-121.1 27.7 4.1 21.4 20.4 96 88 A R T < S+ 0 0 93 -3,-0.7 -4,-0.0 1,-0.2 -26,-0.0 -0.541 72.3 14.1 -74.7 140.0 2.6 18.1 19.3 97 89 A G T 3 S+ 0 0 87 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.560 94.1 109.1 77.0 10.4 -0.3 18.3 16.9 98 90 A L S < S- 0 0 90 -3,-0.9 -2,-0.1 0, 0.0 -1,-0.1 0.279 97.8 -93.2-104.9 10.9 0.3 21.9 16.0 99 91 A G S > S+ 0 0 27 -4,-0.1 4,-2.5 3,-0.0 5,-0.2 0.469 88.3 123.4 93.7 8.3 1.6 21.4 12.4 100 92 A V H > S+ 0 0 3 -5,-0.4 4,-2.5 2,-0.2 5,-0.2 0.935 79.2 42.3 -70.2 -46.2 5.3 21.3 13.2 101 93 A A H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.936 114.0 53.1 -66.1 -40.8 5.9 17.9 11.5 102 94 A R H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.931 112.1 45.7 -55.9 -47.4 3.7 18.8 8.6 103 95 A Y H X S+ 0 0 67 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.944 114.4 46.0 -60.9 -50.5 5.7 22.0 8.1 104 96 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.888 108.4 56.1 -69.2 -35.9 9.1 20.3 8.3 105 97 A I H X S+ 0 0 1 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.930 107.5 50.7 -58.6 -42.6 8.0 17.4 6.0 106 98 A G H X S+ 0 0 24 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.1 49.3 -62.1 -40.4 7.2 20.0 3.4 107 99 A V H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.929 111.7 48.5 -62.2 -42.0 10.6 21.6 3.9 108 100 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.868 108.0 54.8 -69.4 -35.4 12.3 18.2 3.5 109 101 A E H X S+ 0 0 16 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.923 109.3 47.8 -60.7 -46.9 10.3 17.4 0.4 110 102 A N H X S+ 0 0 67 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.913 111.5 50.4 -60.3 -41.5 11.5 20.7 -1.1 111 103 A L H X>S+ 0 0 42 -4,-2.4 4,-2.6 2,-0.2 5,-1.0 0.923 109.8 50.2 -62.2 -43.9 15.1 19.8 -0.1 112 104 A A H X5S+ 0 0 0 -4,-2.8 6,-2.3 1,-0.2 4,-0.9 0.932 115.2 44.0 -59.5 -45.1 14.8 16.4 -1.7 113 105 A R H X5S+ 0 0 73 -4,-2.4 4,-0.6 4,-0.2 -2,-0.2 0.907 122.3 35.6 -62.0 -47.6 13.5 17.9 -4.9 114 106 A E H <5S+ 0 0 121 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.935 128.5 28.8 -83.5 -48.0 16.0 20.7 -5.1 115 107 A Q H <5S+ 0 0 104 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.883 134.0 27.4 -80.2 -43.7 19.2 19.3 -3.8 116 108 A Y H < - 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