==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-10 3PNM . COMPND 2 MOLECULE: PTS-DEPENDENT DIHYDROXYACETONE KINASE, DIHYDROXYA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SHI,L.MCDONALD,A.MATTE,M.CYGLER,I.EKIEL,MONTREAL-KINGSTON . 1359 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 90 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.6 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 4 0 0 4 7 1 4 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 2 2 4 4 4 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 . 5 12 0 8 0 0 0 8 4 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 . 4 4 0 0 4 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 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 10 A D > 0 0 160 0, 0.0 4,-1.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -59.9 -11.0 -17.8 -16.1 2 11 A V H > + 0 0 100 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.850 360.0 56.6 -62.4 -34.8 -8.9 -14.8 -17.2 3 12 A L H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 103.8 52.0 -61.2 -47.9 -7.6 -14.4 -13.6 4 13 A D H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 108.9 51.6 -55.9 -40.5 -6.2 -18.0 -13.5 5 14 A E H X S+ 0 0 48 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.905 108.6 50.5 -63.4 -43.2 -4.3 -17.3 -16.8 6 15 A Q H X S+ 0 0 32 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.912 112.0 46.6 -63.4 -43.6 -2.8 -14.1 -15.4 7 16 A L H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.862 111.0 51.3 -67.8 -41.0 -1.6 -15.9 -12.3 8 17 A A H X S+ 0 0 27 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.914 109.8 51.7 -61.1 -41.3 -0.2 -18.8 -14.3 9 18 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.931 108.7 50.6 -55.8 -49.2 1.6 -16.2 -16.4 10 19 A L H X S+ 0 0 12 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.903 112.0 47.7 -52.1 -47.7 3.1 -14.7 -13.2 11 20 A A H < S+ 0 0 29 -4,-2.3 6,-0.3 1,-0.2 3,-0.2 0.915 113.1 46.3 -68.6 -40.3 4.3 -18.1 -12.1 12 21 A K H < S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.0 51.1 -67.6 -37.3 5.9 -19.0 -15.4 13 22 A A H < S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.718 116.1 41.2 -72.0 -23.0 7.5 -15.6 -15.6 14 23 A H >< + 0 0 35 -4,-1.3 3,-2.8 -3,-0.2 -1,-0.2 -0.680 55.6 179.1-132.8 83.2 9.0 -15.8 -12.1 15 24 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.735 83.0 70.5 -52.2 -21.6 10.5 -19.2 -11.1 16 25 A S T 3 S+ 0 0 75 -3,-0.1 13,-3.0 12,-0.1 14,-0.3 0.477 94.4 68.2 -73.8 -0.1 11.4 -17.5 -7.7 17 26 A L E < S-A 28 0A 10 -3,-2.8 2,-0.4 -6,-0.3 11,-0.2 -0.866 71.9-148.8-112.6 154.5 7.6 -17.4 -6.9 18 27 A T E -A 27 0A 52 9,-2.5 9,-2.1 -2,-0.3 2,-0.7 -0.996 4.8-150.0-123.5 129.0 5.3 -20.4 -6.2 19 28 A L E -A 26 0A 61 -2,-0.4 2,-0.2 7,-0.2 7,-0.2 -0.864 16.9-158.0 -96.5 113.8 1.7 -20.4 -7.1 20 29 A H E > -A 25 0A 37 5,-2.7 5,-1.0 -2,-0.7 2,-0.3 -0.634 2.6-152.4 -91.9 152.3 -0.4 -22.6 -4.7 21 30 A Q T 5 + 0 0 153 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.888 62.3 50.3-122.0 153.9 -3.8 -24.1 -5.5 22 31 A D T 5S+ 0 0 108 -2,-0.3 -1,-0.2 0, 0.0 2,-0.1 0.929 131.6 23.4 48.2 68.1 -6.7 -25.0 -3.3 23 32 A P T 5S- 0 0 27 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.527 106.4-129.5 -90.8 168.1 -6.7 -22.4 -2.1 24 33 A V T 5 + 0 0 40 -3,-0.1 2,-0.3 -2,-0.1 -3,-0.2 -0.611 47.5 127.6 -80.3 125.7 -4.9 -19.9 -4.4 25 34 A Y E < -A 20 0A 14 -5,-1.0 -5,-2.7 -2,-0.4 2,-0.4 -0.946 44.9-123.5-160.7 173.8 -2.1 -17.7 -3.1 26 35 A V E +AB 19 63A 3 37,-2.5 37,-2.8 -2,-0.3 2,-0.3 -0.978 27.1 169.8-127.4 136.8 1.5 -16.8 -4.0 27 36 A T E -AB 18 62A 2 -9,-2.1 -9,-2.5 -2,-0.4 35,-0.3 -0.908 46.3 -81.6-133.3 164.8 4.7 -17.2 -1.9 28 37 A R E > -A 17 0A 27 33,-2.7 3,-1.9 -2,-0.3 -11,-0.3 -0.458 47.8-118.0 -56.0 140.2 8.5 -16.9 -2.4 29 38 A A T 3 S+ 0 0 50 -13,-3.0 -12,-0.1 1,-0.3 -1,-0.1 0.750 114.5 48.3 -55.6 -26.0 9.6 -20.3 -3.9 30 39 A D T 3 S+ 0 0 97 -14,-0.3 -1,-0.3 -12,-0.0 -13,-0.1 0.342 93.2 165.6 -99.0 9.8 11.9 -20.9 -0.8 31 40 A A < + 0 0 14 -3,-1.9 53,-0.1 30,-0.1 54,-0.1 -0.416 49.9 56.6 -67.0 144.5 9.1 -20.0 1.8 32 41 A P S S- 0 0 68 0, 0.0 2,-0.8 0, 0.0 53,-0.1 0.451 73.5-168.8 -73.5 136.5 9.1 -20.6 4.7 33 42 A V > - 0 0 39 51,-0.5 3,-0.8 3,-0.1 53,-0.2 -0.866 22.1-136.0 -94.8 109.9 12.4 -18.7 5.1 34 43 A A T 3 S+ 0 0 81 -2,-0.8 53,-0.2 1,-0.2 3,-0.1 -0.313 74.6 26.9 -72.8 148.2 13.3 -19.5 8.7 35 44 A G T 3 S+ 0 0 42 51,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.528 100.4 87.0 86.9 7.6 14.7 -17.0 11.2 36 45 A K S < S- 0 0 67 -3,-0.8 52,-0.5 50,-0.1 50,-0.4 -0.995 84.3-102.8-133.1 146.5 13.0 -13.9 9.8 37 46 A V - 0 0 7 122,-0.5 2,-0.4 -2,-0.3 53,-0.2 -0.403 42.0-131.5 -56.3 133.8 9.7 -12.3 10.4 38 47 A A E -c 90 0A 2 51,-2.4 53,-3.2 43,-0.1 2,-0.5 -0.785 13.4-147.6 -93.5 139.7 7.5 -13.1 7.4 39 48 A L E -c 91 0A 1 -2,-0.4 22,-3.6 20,-0.3 23,-1.3 -0.925 17.5-179.5-108.5 132.0 5.5 -10.3 5.7 40 49 A L E +cd 92 62A 0 51,-2.4 53,-2.8 -2,-0.5 2,-0.3 -0.990 7.5 159.7-133.5 131.6 2.1 -11.0 4.1 41 50 A S E +cd 93 63A 0 21,-1.3 23,-1.7 -2,-0.4 2,-0.3 -0.832 3.7 158.2-135.5-177.8 -0.3 -8.8 2.3 42 51 A G E + d 0 64A 1 51,-0.5 53,-0.4 -2,-0.3 2,-0.3 -0.952 2.4 148.6 175.2 173.2 -3.1 -9.1 -0.2 43 52 A G E - d 0 65A 4 21,-1.8 23,-1.7 -2,-0.3 27,-0.1 -0.965 53.1 -24.6 167.6-169.9 -6.2 -7.5 -1.6 44 53 A G E - 0 0 14 25,-0.3 3,-0.4 -2,-0.3 24,-0.2 -0.131 65.0-106.8 -58.3 154.8 -8.3 -7.3 -4.8 45 54 A S E S+ d 0 68A 6 22,-2.6 24,-1.8 25,-0.3 -1,-0.1 -0.405 93.1 63.4 -73.4 164.4 -6.9 -7.9 -8.2 46 55 A G S S+ 0 0 1 22,-0.2 262,-2.9 -2,-0.1 -1,-0.2 0.531 75.8 90.8 95.0 9.9 -6.2 -5.0 -10.6 47 56 A A S > S- 0 0 9 3,-0.4 3,-1.9 -3,-0.4 259,-1.3 0.277 74.8-168.1-109.3 5.6 -3.6 -3.2 -8.5 48 57 A E T 3 + 0 0 41 1,-0.4 258,-0.4 257,-0.2 569,-0.3 0.016 68.4 30.1 -37.1 134.1 -0.7 -5.1 -10.1 49 58 A P T 3> S+ 0 0 15 0, 0.0 4,-3.1 0, 0.0 2,-0.6 -0.996 102.4 112.0 -80.8 -4.4 2.2 -5.2 -9.3 50 59 A M T <4 S- 0 0 4 -3,-1.9 -3,-0.4 1,-0.3 256,-0.1 -0.641 91.5 -5.9 -74.2 114.2 0.6 -4.7 -5.9 51 60 A H T >4 S+ 0 0 11 -2,-0.6 3,-1.9 -4,-0.1 -1,-0.3 -0.997 133.0 45.9-114.5 -9.0 0.9 -7.2 -4.3 52 61 A C G >4 S+ 0 0 18 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.848 106.1 61.8 -65.1 -30.6 2.5 -10.1 -6.2 53 62 A G G 3< S+ 0 0 3 -4,-3.1 283,-2.4 1,-0.2 284,-0.5 0.537 101.0 57.7 -67.0 -5.3 5.2 -8.0 -7.8 54 63 A Y G < S+ 0 0 0 -3,-1.9 6,-2.5 -5,-0.5 2,-0.6 0.215 75.5 112.5-111.1 10.4 6.5 -7.3 -4.3 55 64 A I B < +f 60 0B 1 -3,-1.5 2,-0.3 4,-0.2 6,-0.2 -0.752 53.2 74.2 -81.9 123.3 7.0 -10.9 -3.1 56 65 A G S > S- 0 0 7 4,-3.1 3,-2.1 -2,-0.6 278,-0.2 -0.878 86.2 -29.0 155.8 173.5 10.7 -11.6 -2.6 57 66 A Q B 3 S+G 333 0C 78 276,-0.6 276,-2.8 1,-0.3 3,-0.1 -0.257 125.9 18.2 -55.6 130.1 13.8 -11.0 -0.5 58 67 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.3 94,-0.3 95,-0.3 0.489 129.6 42.6 87.3 6.4 13.6 -7.7 1.4 59 68 A M S < S- 0 0 8 -3,-2.1 -1,-0.3 1,-0.3 -20,-0.3 -0.396 105.0 -4.3-148.1-134.8 9.9 -7.4 0.9 60 69 A L B -f 55 0B 0 -6,-2.5 -4,-3.1 -9,-0.1 -1,-0.3 -0.354 41.2-156.5 -69.9 150.9 6.8 -9.6 1.0 61 70 A S S S- 0 0 13 -22,-3.6 -33,-2.7 1,-0.4 2,-0.3 0.688 77.0 -15.3 -95.7 -25.5 7.1 -13.3 1.7 62 71 A G E -Bd 27 40A 0 -23,-1.3 -21,-1.3 -35,-0.3 -1,-0.4 -0.968 61.5-146.4-162.0 172.6 3.7 -14.1 0.1 63 72 A A E -Bd 26 41A 1 -37,-2.8 -37,-2.5 -2,-0.3 -21,-0.3 -0.997 9.5-138.8-148.3 152.3 0.5 -12.4 -1.1 64 73 A C E - d 0 42A 1 -23,-1.7 -21,-1.8 -2,-0.3 2,-0.2 -0.904 17.1-155.7-114.6 109.4 -3.2 -13.2 -1.4 65 74 A P E - d 0 43A 12 0, 0.0 -21,-0.2 0, 0.0 2,-0.2 -0.521 9.1-167.0 -78.6 146.3 -5.0 -12.2 -4.5 66 75 A G E - 0 0 2 -23,-1.7 5,-0.2 1,-0.3 3,-0.1 -0.490 37.4 -76.4-104.1-171.4 -8.7 -11.7 -4.4 67 76 A E E S- 0 0 108 4,-0.4 -22,-2.6 -2,-0.2 -1,-0.3 -0.129 83.2 -48.7 -64.6 178.5 -11.1 -11.3 -7.3 68 77 A I E S- d 0 45A 77 -24,-0.2 -1,-0.2 1,-0.2 -22,-0.2 -0.421 124.0 -20.6 -59.7 119.0 -11.2 -7.9 -9.1 69 78 A F S S+ 0 0 61 -24,-1.8 2,-0.4 -2,-0.3 -25,-0.3 0.171 114.1 111.5 62.4 -15.1 -11.4 -5.2 -6.4 70 79 A T S S- 0 0 75 -2,-0.1 -25,-0.3 -27,-0.1 -3,-0.2 -0.702 73.0-109.0 -93.1 142.3 -12.8 -7.7 -3.8 71 80 A S - 0 0 15 -2,-0.4 -4,-0.4 -5,-0.2 2,-0.1 -0.107 37.4 -98.4 -59.3 152.7 -10.7 -8.7 -0.8 72 81 A P - 0 0 1 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.491 42.3-107.6 -74.2 150.9 -9.3 -12.2 -0.5 73 82 A T >> - 0 0 55 -2,-0.1 4,-1.2 1,-0.1 3,-1.0 -0.382 29.2-109.0 -77.6 155.1 -11.2 -14.7 1.6 74 83 A P H 3> S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.754 112.9 65.6 -63.3 -25.8 -9.8 -15.7 5.0 75 84 A D H 3> S+ 0 0 23 835,-0.3 4,-2.4 1,-0.2 5,-0.2 0.887 103.0 48.3 -57.2 -42.5 -8.9 -19.3 3.9 76 85 A K H <> S+ 0 0 23 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.878 113.6 47.2 -63.1 -40.6 -6.3 -17.8 1.5 77 86 A I H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.940 113.5 47.1 -69.9 -44.7 -4.9 -15.6 4.2 78 87 A F H X S+ 0 0 25 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.948 115.9 42.9 -63.2 -51.5 -4.7 -18.3 6.8 79 88 A E H X S+ 0 0 75 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.874 114.0 52.1 -61.2 -41.3 -3.0 -20.9 4.5 80 89 A C H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.935 109.8 48.5 -61.3 -46.0 -0.6 -18.3 3.0 81 90 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.879 111.0 50.9 -62.2 -40.0 0.5 -17.2 6.5 82 91 A M H < S+ 0 0 71 -4,-1.9 3,-0.2 -5,-0.2 -1,-0.2 0.891 109.5 50.8 -64.8 -39.3 1.0 -20.8 7.6 83 92 A Q H < S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 115.5 41.3 -64.6 -37.4 3.1 -21.4 4.5 84 93 A V H < S+ 0 0 2 -4,-1.9 -51,-0.5 -53,-0.1 2,-0.4 0.573 80.8 120.7 -92.1 -9.8 5.4 -18.4 5.0 85 94 A D < - 0 0 39 -4,-1.2 5,-0.1 -3,-0.2 -48,-0.1 -0.389 35.2-178.4 -62.5 115.1 5.8 -18.7 8.8 86 95 A G - 0 0 12 -50,-0.4 -51,-2.1 3,-0.4 -1,-0.2 0.084 57.6 -96.3 -98.7 21.9 9.6 -19.0 9.5 87 96 A G S S+ 0 0 58 -53,-0.2 -50,-0.1 -52,-0.1 3,-0.1 0.510 113.0 87.2 77.5 4.7 9.0 -19.3 13.3 88 97 A E S S- 0 0 90 -52,-0.5 73,-0.4 1,-0.3 -51,-0.2 0.419 102.0-100.1-104.3 -2.8 9.7 -15.6 14.1 89 98 A G - 0 0 2 -53,-0.2 -51,-2.4 71,-0.1 2,-0.4 -0.292 30.8 -92.5 106.0 164.8 6.0 -14.8 13.4 90 99 A V E -ce 38 118A 0 27,-2.8 29,-1.5 -53,-0.2 2,-0.5 -0.951 23.0-153.3-121.3 137.3 4.0 -13.3 10.6 91 100 A L E -ce 39 119A 0 -53,-3.2 -51,-2.4 -2,-0.4 2,-0.6 -0.954 11.9-151.9-112.3 124.9 3.1 -9.6 10.1 92 101 A L E -ce 40 120A 0 27,-2.9 29,-2.1 -2,-0.5 2,-0.6 -0.852 2.4-155.8-103.5 120.7 -0.0 -8.9 8.2 93 102 A I E -ce 41 121A 1 -53,-2.8 2,-0.5 -2,-0.6 -51,-0.5 -0.864 16.1-172.1-100.5 119.2 -0.2 -5.7 6.2 94 103 A I E - e 0 122A 4 27,-3.5 29,-2.6 -2,-0.6 2,-0.2 -0.935 18.3-144.6-122.7 120.2 -3.8 -4.6 5.7 95 104 A K E - e 0 123A 6 -2,-0.5 2,-1.7 -53,-0.4 29,-0.1 -0.541 40.2-101.7 -74.5 148.1 -5.1 -1.8 3.5 96 105 A N S S+ 0 0 15 27,-2.0 2,-0.4 -2,-0.2 44,-0.2 -0.526 72.2 126.7 -83.6 81.7 -8.1 -0.1 5.1 97 106 A Y > - 0 0 5 -2,-1.7 4,-2.9 42,-0.1 38,-0.3 -0.991 65.4-121.6-129.5 139.8 -11.1 -1.4 3.2 98 107 A T H > S+ 0 0 72 36,-2.5 4,-2.1 -2,-0.4 5,-0.2 0.857 112.6 49.0 -52.4 -41.6 -14.0 -3.0 5.1 99 108 A G H > S+ 0 0 29 35,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.930 114.2 45.6 -59.1 -45.8 -13.7 -6.3 3.3 100 109 A D H > S+ 0 0 6 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.937 111.7 51.2 -65.5 -47.8 -9.9 -6.5 3.9 101 110 A I H X S+ 0 0 33 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.911 113.9 45.1 -54.3 -47.4 -10.2 -5.6 7.5 102 111 A L H X S+ 0 0 51 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.947 115.7 43.9 -64.4 -54.2 -12.9 -8.2 8.1 103 112 A N H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.950 115.8 47.7 -60.7 -47.3 -11.2 -11.1 6.3 104 113 A F H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.850 110.1 53.0 -63.9 -34.6 -7.7 -10.3 7.8 105 114 A E H X S+ 0 0 24 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.965 109.0 49.2 -63.9 -47.5 -9.1 -10.1 11.3 106 115 A T H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.953 113.8 45.5 -50.1 -57.1 -10.8 -13.5 10.9 107 116 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.889 111.0 55.8 -58.8 -39.1 -7.6 -15.1 9.7 108 117 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.918 106.5 45.6 -61.6 -51.3 -5.6 -13.4 12.4 109 118 A E H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.925 116.0 48.9 -56.6 -45.7 -7.5 -14.6 15.4 110 119 A L H X S+ 0 0 6 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.893 109.0 51.6 -67.1 -43.2 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