==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-AUG-11 3VGM . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.MIYAZONO,N.TABEI,S.MORITA,Y.OHNISHI,S.HORINOUCHI,M.TANOKUR . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 1 0 0 0 3 0 0 1 0 2 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 3 0 0 0 2 1 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 . 0 1 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 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 2 A G 0 0 37 0, 0.0 2,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0-170.2 94.7 17.8 10.3 2 3 A L E -a 56 0A 38 53,-0.7 55,-3.0 17,-0.1 56,-0.4 -0.504 360.0-179.0 -81.5 141.4 94.9 21.5 9.4 3 4 A T E - B 0 18A 4 15,-1.8 15,-3.2 53,-0.2 2,-0.4 -0.878 23.1-120.6-130.4 168.0 96.0 24.1 11.9 4 5 A I E -aB 59 17A 0 54,-2.5 56,-3.0 -2,-0.3 2,-0.4 -0.917 17.5-157.9-109.1 137.8 96.4 27.9 11.8 5 6 A G E -aB 60 16A 0 11,-2.5 11,-2.2 -2,-0.4 2,-0.4 -0.907 7.2-157.6-108.5 144.9 99.6 29.8 12.4 6 7 A V E -aB 61 15A 0 54,-2.2 56,-2.7 -2,-0.4 2,-0.5 -0.984 5.5-164.1-123.5 131.7 99.6 33.5 13.5 7 8 A D E -aB 62 14A 55 7,-2.9 7,-2.2 -2,-0.4 2,-0.8 -0.977 8.9-156.2-112.6 117.1 102.5 35.9 12.9 8 9 A I E + B 0 13A 14 54,-1.5 56,-0.4 -2,-0.5 5,-0.2 -0.857 23.1 178.4 -96.2 108.5 102.2 39.0 15.1 9 10 A G - 0 0 23 3,-1.9 -2,-0.0 -2,-0.8 0, 0.0 -0.514 43.3-107.3-104.3 173.2 104.2 41.7 13.3 10 11 A G S S+ 0 0 73 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.792 118.2 16.6 -68.3 -28.4 104.9 45.4 14.1 11 12 A T S S+ 0 0 121 1,-0.3 21,-2.6 20,-0.1 2,-0.3 0.728 130.6 27.7-114.7 -39.5 102.6 46.5 11.2 12 13 A K E - C 0 31A 101 19,-0.3 -3,-1.9 2,-0.0 2,-0.5 -0.933 55.5-148.4-131.1 150.5 100.5 43.5 10.3 13 14 A I E -BC 8 30A 0 17,-2.8 17,-2.6 -2,-0.3 2,-0.4 -0.987 24.7-168.5-111.4 122.5 99.1 40.3 12.0 14 15 A A E -BC 7 29A 8 -7,-2.2 -7,-2.9 -2,-0.5 2,-0.4 -0.946 8.4-172.0-116.5 136.5 98.8 37.4 9.5 15 16 A A E -BC 6 28A 0 13,-2.5 13,-2.7 -2,-0.4 2,-0.3 -0.965 8.8-179.0-123.2 144.3 97.0 34.1 10.1 16 17 A G E -BC 5 27A 0 -11,-2.2 -11,-2.5 -2,-0.4 2,-0.5 -0.999 29.8-123.9-143.8 140.8 97.2 31.2 7.7 17 18 A V E -BC 4 26A 0 9,-1.0 8,-3.0 -2,-0.3 9,-0.9 -0.756 36.2-166.7 -79.8 128.8 95.8 27.7 7.5 18 19 A V E -BC 3 24A 0 -15,-3.2 -15,-1.8 -2,-0.5 6,-0.2 -0.970 8.5-143.5-125.9 130.9 98.7 25.3 7.2 19 20 A D > - 0 0 18 4,-2.5 3,-1.7 -2,-0.4 -17,-0.1 -0.177 38.2 -90.8 -84.4-176.1 98.6 21.6 6.2 20 21 A E T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -18,-0.0 0.682 126.8 55.1 -72.5 -17.7 100.7 18.7 7.5 21 22 A E T 3 S- 0 0 103 2,-0.1 -1,-0.3 94,-0.0 -2,-0.0 0.301 122.6-105.6 -93.0 7.9 103.3 19.3 4.8 22 23 A G < + 0 0 13 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.640 70.0 150.4 78.1 18.1 103.7 22.9 5.9 23 24 A R - 0 0 144 280,-0.0 -4,-2.5 1,-0.0 2,-0.6 -0.699 45.0-131.6 -87.4 134.3 101.7 24.3 2.9 24 25 A I E +C 18 0A 50 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.731 26.3 176.4 -90.0 118.9 99.8 27.5 3.4 25 26 A L E + 0 0 81 -8,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.672 66.9 8.4 -93.9 -25.3 96.3 27.2 2.1 26 27 A S E -C 17 0A 26 -9,-0.9 -9,-1.0 2,-0.0 2,-0.3 -0.980 59.4-163.7-153.4 152.7 94.9 30.6 3.1 27 28 A T E -C 16 0A 75 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.987 5.6-178.3-143.1 131.5 96.2 33.9 4.5 28 29 A F E -C 15 0A 86 -13,-2.7 -13,-2.5 -2,-0.3 2,-0.4 -0.998 9.8-162.1-132.6 130.3 94.4 36.7 6.1 29 30 A K E -C 14 0A 113 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.875 7.5-176.8-115.6 143.6 96.1 39.9 7.3 30 31 A V E -C 13 0A 29 -17,-2.6 -17,-2.8 -2,-0.4 2,-0.1 -0.955 36.3 -97.1-132.1 153.2 94.8 42.6 9.7 31 32 A A E -C 12 0A 79 -2,-0.3 -19,-0.3 -19,-0.2 -20,-0.1 -0.461 38.4-115.7 -68.4 139.3 96.5 45.8 10.8 32 33 A T - 0 0 29 -21,-2.6 -1,-0.1 -2,-0.1 7,-0.1 -0.702 36.1-130.9 -72.6 118.9 98.3 45.6 14.1 33 34 A P - 0 0 33 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 -0.267 11.4-120.9 -69.4 158.9 96.4 48.0 16.4 34 35 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.708 92.8 72.7 -72.9 -16.4 98.2 50.6 18.5 35 36 A T S > S- 0 0 79 1,-0.1 4,-1.4 45,-0.1 45,-0.0 -0.751 75.4-138.1-106.4 141.8 96.9 49.1 21.7 36 37 A A H > S+ 0 0 24 -2,-0.3 4,-1.0 2,-0.2 3,-0.3 0.916 107.7 51.9 -58.1 -47.1 97.7 45.7 23.5 37 38 A E H > S+ 0 0 146 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.865 107.9 52.8 -59.2 -38.7 94.0 45.0 24.2 38 39 A G H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.837 95.7 68.8 -64.6 -33.9 93.2 45.5 20.6 39 40 A I H X S+ 0 0 6 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.871 96.7 53.7 -58.7 -36.7 95.9 43.0 19.5 40 41 A V H X S+ 0 0 14 -4,-1.0 4,-2.1 -3,-0.4 -1,-0.2 0.921 109.6 45.6 -63.0 -46.5 93.9 40.2 21.0 41 42 A D H X S+ 0 0 92 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.899 113.1 52.3 -60.9 -40.9 90.7 41.1 19.0 42 43 A A H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.903 106.3 51.9 -64.2 -44.3 92.9 41.5 15.9 43 44 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.934 111.6 48.9 -54.8 -45.3 94.5 38.0 16.4 44 45 A C H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.869 110.8 48.6 -65.9 -36.4 90.9 36.6 16.6 45 46 A A H X S+ 0 0 48 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.892 111.2 50.7 -68.7 -40.2 89.8 38.4 13.5 46 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.935 111.0 48.7 -62.2 -46.0 92.8 37.2 11.5 47 48 A V H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.916 111.6 49.7 -59.0 -44.8 92.1 33.6 12.7 48 49 A A H X S+ 0 0 57 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.925 111.7 47.9 -62.1 -44.9 88.5 33.9 11.6 49 50 A G H < S+ 0 0 31 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.902 115.7 43.2 -64.3 -42.5 89.3 35.3 8.2 50 51 A A H < S+ 0 0 1 -4,-2.4 -33,-0.2 1,-0.2 -1,-0.2 0.839 109.9 58.5 -68.3 -34.3 92.0 32.6 7.5 51 52 A S H >< S+ 0 0 33 -4,-2.2 3,-2.4 -5,-0.2 -1,-0.2 0.678 72.6 121.4 -74.1 -21.9 89.8 29.8 8.8 52 53 A E T 3< S+ 0 0 156 -4,-1.0 3,-0.1 -3,-0.4 -3,-0.0 -0.209 85.6 6.8 -52.0 121.6 86.8 30.3 6.4 53 54 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.547 111.1 99.4 84.2 8.7 86.2 27.1 4.5 54 55 A H S < S- 0 0 59 -3,-2.4 2,-1.2 2,-0.0 -1,-0.2 -0.981 73.4-126.7-129.7 141.8 88.8 24.9 6.4 55 56 A D - 0 0 129 -2,-0.4 -53,-0.7 -3,-0.1 2,-0.4 -0.721 38.0-167.9 -83.2 93.0 88.4 22.4 9.2 56 57 A V E -a 2 0A 12 -2,-1.2 -53,-0.2 -5,-0.1 3,-0.1 -0.704 18.2-177.8 -94.2 132.4 90.9 23.9 11.7 57 58 A E E - 0 0 107 -55,-3.0 2,-0.3 -2,-0.4 -54,-0.2 0.687 63.8 -0.7-100.2 -25.5 92.1 21.9 14.7 58 59 A A E - 0 0 9 -56,-0.4 -54,-2.5 39,-0.2 2,-0.4 -0.973 58.3-130.4-160.9 163.3 94.4 24.2 16.6 59 60 A V E -ad 4 99A 0 39,-2.5 41,-2.4 -2,-0.3 2,-0.5 -0.992 13.4-164.8-125.4 129.5 96.0 27.7 16.5 60 61 A G E -ad 5 100A 0 -56,-3.0 -54,-2.2 -2,-0.4 2,-0.5 -0.973 8.0-162.2-113.4 133.8 99.7 28.4 17.0 61 62 A I E -ad 6 101A 0 39,-2.7 41,-3.2 -2,-0.5 2,-0.5 -0.959 4.7-157.2-119.0 123.1 100.8 32.0 17.7 62 63 A G E +ad 7 102A 3 -56,-2.7 -54,-1.5 -2,-0.5 2,-0.4 -0.876 18.8 179.0 -98.2 128.4 104.3 33.3 17.3 63 64 A A E - d 0 103A 2 39,-2.3 41,-1.8 -2,-0.5 42,-0.2 -0.996 31.0-118.9-131.1 135.4 105.2 36.4 19.3 64 65 A A S S+ 0 0 31 -56,-0.4 2,-0.2 -2,-0.4 15,-0.2 -0.470 79.7 44.3 -64.0 139.0 108.4 38.5 19.7 65 66 A G S S- 0 0 6 12,-0.2 2,-0.6 -2,-0.1 12,-0.2 -0.670 102.8 -33.9 118.4-172.2 109.6 38.4 23.3 66 67 A Y E -E 76 0B 53 10,-2.0 9,-2.6 -2,-0.2 10,-1.1 -0.754 54.1-169.8 -95.6 119.6 110.0 35.9 26.1 67 68 A V E -E 74 0B 4 -2,-0.6 7,-0.2 82,-0.5 36,-0.1 -0.879 23.4-115.3-109.8 138.7 107.4 33.1 26.1 68 69 A D > - 0 0 18 5,-2.3 3,-1.6 -2,-0.4 81,-0.3 -0.149 25.4-106.9 -71.2 170.6 107.1 30.7 29.1 69 70 A D T 3 S+ 0 0 65 79,-0.6 80,-0.2 1,-0.3 -1,-0.1 0.673 118.0 64.6 -75.7 -16.5 107.8 27.0 29.0 70 71 A K T 3 S- 0 0 159 78,-0.2 -1,-0.3 3,-0.1 31,-0.1 0.481 105.7-130.6 -78.1 -3.0 104.0 26.2 29.2 71 72 A R S < S+ 0 0 46 -3,-1.6 30,-2.2 2,-0.1 -2,-0.1 0.933 84.9 93.3 54.4 51.4 103.8 27.9 25.8 72 73 A A + 0 0 14 1,-0.3 16,-2.3 28,-0.2 2,-0.4 0.552 68.0 56.5-142.5 -32.3 100.9 30.0 27.2 73 74 A T - 0 0 30 13,-0.2 -5,-2.3 14,-0.2 2,-0.9 -0.941 61.2-141.7-126.1 132.6 102.1 33.3 28.6 74 75 A V E -EF 67 85B 0 11,-2.4 11,-2.6 -2,-0.4 10,-0.3 -0.865 18.5-171.4 -89.1 110.6 104.1 36.2 27.0 75 76 A L E S- 0 0 47 -9,-2.6 9,-1.2 -2,-0.9 2,-0.3 0.879 70.8 -7.0 -71.4 -38.8 106.4 37.2 29.9 76 77 A F E -EF 66 83B 45 -10,-1.1 -10,-2.0 7,-0.2 -1,-0.3 -0.933 60.7-162.4-157.5 133.4 107.6 40.3 28.1 77 78 A A - 0 0 1 5,-1.3 5,-0.3 3,-0.5 3,-0.3 -0.981 15.8-145.4-118.6 136.8 107.2 41.6 24.6 78 79 A P S S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -13,-0.1 0.752 98.6 25.8 -72.2 -21.3 109.6 44.3 23.2 79 80 A N S S+ 0 0 120 -15,-0.2 2,-0.4 1,-0.1 -14,-0.0 0.309 115.2 62.1-124.6 2.7 106.9 46.1 21.1 80 81 A I S S- 0 0 29 -3,-0.3 2,-2.6 2,-0.2 -3,-0.5 -0.985 84.4-117.6-130.1 142.8 103.6 45.3 22.9 81 82 A D + 0 0 125 -2,-0.4 2,-0.5 -5,-0.1 -45,-0.1 -0.407 66.7 137.6 -78.9 65.0 102.7 46.3 26.4 82 83 A W + 0 0 2 -2,-2.6 -5,-1.3 -5,-0.3 2,-0.4 -0.971 22.5 168.3-112.3 126.6 102.4 42.6 27.4 83 84 A R E S-F 76 0B 120 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.2 -0.961 81.2 -17.1-140.1 114.5 103.8 41.6 30.8 84 85 A H E S- 0 0 140 -9,-1.2 -9,-0.2 -2,-0.4 -8,-0.1 0.908 90.4-178.8 48.9 47.6 102.9 38.1 32.0 85 86 A E E -F 74 0B 28 -11,-2.6 -11,-2.4 1,-0.1 2,-2.3 -0.679 28.7-141.4 -82.2 119.9 100.1 38.2 29.4 86 87 A P > + 0 0 44 0, 0.0 4,-2.0 0, 0.0 -13,-0.2 -0.419 39.5 159.0 -81.0 68.0 98.0 35.0 29.4 87 88 A L H > + 0 0 0 -2,-2.3 4,-2.3 1,-0.2 5,-0.2 0.865 66.2 53.7 -61.5 -42.3 97.6 35.0 25.6 88 89 A K H > S+ 0 0 58 -16,-2.3 4,-3.0 -3,-0.3 5,-0.3 0.951 110.4 46.9 -57.9 -51.6 96.8 31.3 25.2 89 90 A D H > S+ 0 0 96 -17,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.914 112.6 48.9 -57.8 -46.8 93.9 31.6 27.7 90 91 A K H X S+ 0 0 64 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.873 115.9 42.6 -63.7 -41.7 92.4 34.7 26.1 91 92 A V H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.912 112.0 52.4 -74.0 -42.7 92.5 33.3 22.6 92 93 A E H X S+ 0 0 57 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.924 108.3 52.8 -56.4 -46.1 91.3 29.8 23.5 93 94 A Q H < S+ 0 0 171 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.891 117.6 38.3 -54.6 -41.2 88.3 31.4 25.3 94 95 A R H < S+ 0 0 135 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.851 125.3 32.1 -83.1 -39.2 87.5 33.4 22.1 95 96 A V H < S- 0 0 38 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.677 90.8-137.7 -96.2 -20.9 88.2 31.0 19.2 96 97 A G < + 0 0 61 -4,-2.2 -4,-0.1 -5,-0.4 -3,-0.1 0.774 67.3 103.8 67.9 28.3 87.2 27.7 21.0 97 98 A L S S- 0 0 48 -6,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.937 83.9 -85.5-129.6 155.9 90.2 25.7 19.7 98 99 A P - 0 0 76 0, 0.0 -39,-2.5 0, 0.0 2,-0.4 -0.374 48.7-160.6 -59.9 141.8 93.4 24.7 21.4 99 100 A V E -d 59 0A 1 -41,-0.2 2,-0.4 -39,-0.0 -39,-0.2 -0.967 13.8-167.9-127.7 138.1 96.1 27.4 21.3 100 101 A V E -d 60 0A 19 -41,-2.4 -39,-2.7 -2,-0.4 2,-0.5 -0.985 10.1-153.3-119.7 142.5 99.9 27.3 21.7 101 102 A V E +d 61 0A 0 -30,-2.2 2,-0.3 -2,-0.4 -39,-0.2 -0.954 20.5 174.6-112.9 129.2 102.0 30.5 22.1 102 103 A E E -d 62 0A 1 -41,-3.2 -39,-2.3 -2,-0.5 -34,-0.1 -0.955 40.9 -93.4-130.6 151.2 105.7 30.3 20.9 103 104 A N E > -d 63 0A 7 -2,-0.3 4,-2.4 -41,-0.2 -39,-0.2 -0.404 41.8-121.7 -57.1 142.2 108.5 32.8 20.6 104 105 A D H > S+ 0 0 63 -41,-1.8 4,-2.3 1,-0.2 -40,-0.1 0.880 110.2 44.0 -60.7 -41.4 108.4 34.1 17.0 105 106 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.807 110.5 55.4 -79.9 -28.4 112.0 33.1 16.1 106 107 A N H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 110.3 47.5 -58.5 -49.0 111.5 29.6 17.8 107 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 112.6 47.7 -58.6 -47.7 108.5 29.2 15.5 108 109 A A H X S+ 0 0 16 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.887 111.0 52.3 -60.6 -39.2 110.5 30.4 12.4 109 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.921 110.1 47.5 -62.9 -46.0 113.3 28.0 13.4 110 111 A W H X S+ 0 0 17 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.919 110.9 52.6 -64.1 -41.8 110.9 25.1 13.6 111 112 A G H X>S+ 0 0 0 -4,-2.6 4,-2.7 189,-0.2 5,-0.7 0.949 113.1 43.5 -55.0 -50.8 109.4 26.1 10.2 112 113 A E H X5S+ 0 0 7 -4,-2.7 6,-2.4 3,-0.2 4,-1.2 0.896 115.6 49.4 -63.7 -39.3 112.9 26.1 8.6 113 114 A Y H <5S+ 0 0 26 -4,-2.7 8,-0.2 5,-0.2 -2,-0.2 0.937 120.5 33.1 -64.4 -48.8 113.9 22.9 10.3 114 115 A R H <5S+ 0 0 87 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.851 140.9 9.8 -77.4 -39.7 110.7 20.9 9.3 115 116 A F H <5S+ 0 0 29 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.433 123.6 42.6-124.3 -6.6 109.9 22.4 5.9 116 117 A G S >< + 0 0 0 -6,-2.4 3,-2.0 -9,-0.1 -1,-0.3 0.561 66.8 122.6 -87.1 -7.9 117.0 22.5 8.0 119 120 A Q T < S+ 0 0 112 -3,-1.4 3,-0.1 -7,-0.5 -5,-0.1 -0.254 74.7 25.2 -60.9 136.0 115.6 19.2 6.5 120 121 A G T 3 S+ 0 0 84 1,-0.4 2,-0.3 -7,-0.1 -1,-0.3 0.333 101.6 101.1 92.7 -9.6 118.1 16.4 6.8 121 122 A H < - 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