==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-APR-06 2GQT . COMPND 2 MOLECULE: UDP-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS CALDOPHILUS; . AUTHOR M.-K.KIM,S.H.EOM . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 17.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 1 0.4 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 2 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 4 3 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 E 0 0 169 0, 0.0 31,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.8 0.2 25.6 9.7 2 2 A F + 0 0 180 2,-0.0 3,-0.1 0, 0.0 30,-0.0 -0.020 360.0 146.4-128.5 32.0 3.9 24.7 9.1 3 3 A M - 0 0 15 1,-0.1 2,-0.3 29,-0.0 24,-0.1 -0.333 56.1 -98.3 -71.2 151.5 3.9 21.3 7.5 4 4 A R E -A 26 0A 150 22,-0.7 22,-2.8 2,-0.0 2,-0.4 -0.552 41.2-179.9 -70.7 126.4 6.6 20.4 5.0 5 5 A V E +A 25 0A 55 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.999 12.8 158.5-128.5 125.6 5.5 20.8 1.3 6 6 A E E -A 24 0A 71 18,-2.1 18,-3.0 -2,-0.4 2,-0.4 -0.999 43.2-110.9-151.2 149.4 7.9 19.9 -1.4 7 7 A R E +A 23 0A 164 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.661 47.9 166.1 -75.7 125.0 8.2 19.0 -5.1 8 8 A V E -A 22 0A 17 14,-2.8 14,-2.0 -2,-0.4 2,-0.5 -0.824 40.8-115.4-131.1 170.4 9.4 15.4 -5.5 9 9 A L E > -A 21 0A 75 -2,-0.3 3,-2.1 12,-0.2 11,-0.2 -0.971 22.5-143.3-104.5 125.2 9.6 12.7 -8.1 10 10 A L G > S+ 0 0 0 10,-2.8 3,-1.8 -2,-0.5 7,-0.2 0.674 92.9 80.0 -67.7 -13.0 7.4 9.8 -7.1 11 11 A K G > S+ 0 0 91 8,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.792 92.4 53.1 -54.9 -29.1 10.0 7.3 -8.5 12 12 A D G < S+ 0 0 104 -3,-2.1 -1,-0.3 7,-0.2 -2,-0.2 0.530 109.9 47.5 -84.6 -5.9 11.7 7.9 -5.2 13 13 A Y G < S+ 0 0 57 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.2 0.097 98.1 75.7-124.9 15.3 8.6 7.1 -3.1 14 14 A T S < S- 0 0 13 -3,-0.5 3,-0.3 -4,-0.2 34,-0.2 -0.972 74.7-131.8-130.6 146.5 7.5 3.8 -4.7 15 15 A T S S+ 0 0 57 32,-1.8 180,-0.4 -2,-0.4 181,-0.2 0.854 110.1 56.8 -67.2 -30.7 8.9 0.4 -4.3 16 16 A L S S- 0 0 3 31,-0.6 -1,-0.2 34,-0.4 180,-0.1 0.811 104.0-134.2 -66.2 -32.9 8.8 0.0 -8.2 17 17 A G + 0 0 25 -3,-0.3 2,-0.3 1,-0.3 -6,-0.2 0.777 64.4 110.1 83.1 27.6 10.9 3.1 -8.6 18 18 A V + 0 0 2 -8,-0.2 34,-0.5 224,-0.1 -1,-0.3 -0.940 31.4 106.6-127.2 152.5 9.0 4.9 -11.3 19 19 A G - 0 0 6 -2,-0.3 -8,-2.0 32,-0.1 35,-0.2 -0.259 46.2-123.6 143.8 134.9 6.9 8.0 -11.2 20 20 A G - 0 0 4 33,-2.5 -10,-2.8 -10,-0.2 35,-0.2 0.116 54.7 -38.0 -83.8-164.7 6.9 11.7 -12.2 21 21 A P E +A 9 0A 52 0, 0.0 36,-1.6 0, 0.0 2,-0.3 -0.196 56.6 163.0 -65.5 145.2 6.5 15.0 -10.3 22 22 A A E -A 8 0A 0 -14,-2.0 -14,-2.8 34,-0.2 2,-0.8 -0.979 40.6-116.3-154.8 154.5 4.2 15.6 -7.4 23 23 A E E -Ab 7 60A 64 36,-0.6 38,-2.8 34,-0.3 2,-0.5 -0.861 36.3-154.4 -94.2 110.4 3.7 18.1 -4.6 24 24 A L E -Ab 6 61A 2 -18,-3.0 -18,-2.1 -2,-0.8 2,-0.6 -0.781 10.2-165.9 -96.4 123.1 4.2 16.1 -1.4 25 25 A W E -Ab 5 62A 13 36,-3.2 38,-2.7 -2,-0.5 2,-0.7 -0.928 6.9-158.3-105.4 113.9 2.6 17.3 1.9 26 26 A T E -Ab 4 63A 13 -22,-2.8 -22,-0.7 -2,-0.6 2,-0.4 -0.863 13.2-161.3 -98.0 112.5 4.0 15.6 5.0 27 27 A V E + b 0 64A 0 36,-2.9 38,-3.3 -2,-0.7 41,-0.2 -0.810 23.0 168.8-101.0 130.7 1.4 15.9 7.8 28 28 A E + 0 0 102 -2,-0.4 39,-2.3 36,-0.2 2,-0.3 0.536 62.7 37.7-114.8 -12.5 2.4 15.5 11.5 29 29 A T S > S- 0 0 48 37,-0.2 4,-2.4 38,-0.1 5,-0.2 -0.904 79.9-109.6-139.9 164.0 -0.8 16.6 13.3 30 30 A R H > S+ 0 0 111 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.903 120.6 50.6 -61.7 -40.2 -4.6 16.6 13.1 31 31 A E H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 108.9 50.5 -65.7 -38.8 -4.5 20.3 12.3 32 32 A E H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.893 109.8 51.4 -65.7 -38.7 -2.0 19.8 9.6 33 33 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.914 107.0 53.1 -62.0 -43.7 -4.2 17.1 8.1 34 34 A K H < S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.5 44.4 -58.2 -39.9 -7.2 19.3 8.2 35 35 A R H >< S+ 0 0 78 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.912 109.9 53.0 -71.2 -46.0 -5.2 22.0 6.2 36 36 A A H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.822 106.3 55.2 -60.0 -32.2 -3.7 19.6 3.7 37 37 A T T 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.277 77.3 95.8 -88.9 10.7 -7.1 18.2 2.7 38 38 A E T < S+ 0 0 154 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.1 0.620 90.8 37.3 -77.4 -14.2 -8.6 21.6 1.9 39 39 A A S < S- 0 0 30 -3,-0.7 20,-0.0 -4,-0.2 21,-0.0 -0.877 115.2 -60.7-128.3 164.1 -7.8 21.0 -1.8 40 40 A P + 0 0 99 0, 0.0 20,-2.2 0, 0.0 2,-0.3 -0.159 68.7 171.9 -46.8 133.3 -7.9 17.8 -4.0 41 41 A Y E -c 60 0A 59 18,-0.2 2,-0.3 -4,-0.1 20,-0.2 -0.923 31.3-153.7-144.0 160.3 -5.5 15.2 -2.6 42 42 A R E -c 61 0A 48 18,-2.6 20,-3.1 -2,-0.3 2,-0.5 -0.916 25.1-127.4-126.2 157.5 -4.3 11.7 -2.7 43 43 A V E -c 62 0A 53 -2,-0.3 2,-0.5 18,-0.2 20,-0.2 -0.929 16.7-156.8-108.8 131.4 -2.7 9.7 0.2 44 44 A L + 0 0 1 18,-3.0 20,-0.5 -2,-0.5 66,-0.0 -0.932 14.8 173.6-105.9 125.9 0.6 8.0 -0.3 45 45 A G S S- 0 0 22 -2,-0.5 -1,-0.1 18,-0.1 61,-0.1 0.304 70.6 -40.1 -93.9-129.9 1.6 5.1 2.0 46 46 A N S S- 0 0 60 61,-0.1 -31,-0.2 1,-0.0 -2,-0.0 0.425 75.6-123.3 -80.8 3.1 4.7 3.1 1.4 47 47 A G S S+ 0 0 4 -33,-0.2 -32,-1.8 1,-0.1 -31,-0.6 0.749 70.9 131.9 65.6 25.9 4.2 3.2 -2.3 48 48 A S S S+ 0 0 24 -34,-0.2 -1,-0.1 1,-0.2 -34,-0.1 0.501 72.4 37.9 -93.7 -5.5 4.2 -0.6 -2.6 49 49 A N S S+ 0 0 33 214,-0.1 215,-2.6 148,-0.0 2,-0.4 0.266 95.9 107.5-119.5 13.2 1.1 -1.0 -4.8 50 50 A L E -d 264 0B 14 -3,-0.3 2,-0.6 213,-0.2 -34,-0.4 -0.778 44.7-170.4-103.6 131.8 1.5 2.0 -7.0 51 51 A L E -d 265 0B 0 213,-2.8 215,-2.2 -2,-0.4 2,-0.5 -0.951 22.9-166.4-106.2 102.8 2.4 2.3 -10.6 52 52 A V E -d 266 0B 0 -2,-0.6 191,-0.2 -34,-0.5 213,-0.1 -0.834 16.8-125.5 -97.8 126.1 2.9 6.1 -11.0 53 53 A L > - 0 0 28 213,-3.1 -33,-2.5 -2,-0.5 3,-2.0 -0.180 23.8-106.8 -70.7 161.7 3.1 7.4 -14.6 54 54 A D T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -35,-0.2 -43,-0.1 0.724 118.0 59.4 -66.1 -20.9 6.0 9.5 -15.8 55 55 A E T 3 S- 0 0 131 1,-0.2 -1,-0.3 -35,-0.2 -2,-0.0 0.546 96.8-151.8 -81.3 -8.5 3.9 12.6 -15.9 56 56 A G < - 0 0 1 -3,-2.0 -1,-0.2 210,-0.2 -34,-0.2 -0.297 26.1 -64.2 68.9-156.3 3.2 12.3 -12.1 57 57 A V - 0 0 10 -36,-1.6 -34,-0.3 -37,-0.1 4,-0.1 -0.964 22.7-147.0-133.4 147.8 0.0 13.7 -10.5 58 58 A P S S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.676 71.6 89.4 -87.0 -17.2 -1.4 17.2 -10.0 59 59 A E S S- 0 0 52 1,-0.1 -36,-0.6 -18,-0.0 2,-0.3 -0.242 92.3 -87.7 -76.8 164.2 -3.1 16.7 -6.7 60 60 A R E -bc 23 41A 53 -20,-2.2 -18,-2.6 -24,-0.1 2,-0.6 -0.581 41.0-146.3 -65.3 129.5 -1.6 17.3 -3.2 61 61 A V E -bc 24 42A 0 -38,-2.8 -36,-3.2 -2,-0.3 2,-0.4 -0.934 15.3-153.5-105.1 115.8 0.0 14.0 -2.2 62 62 A I E -bc 25 43A 0 -20,-3.1 -18,-3.0 -2,-0.6 2,-0.4 -0.779 12.7-171.2 -99.0 129.3 -0.3 13.5 1.5 63 63 A R E -b 26 0A 69 -38,-2.7 -36,-2.9 -2,-0.4 2,-0.6 -0.969 20.0-135.8-112.5 135.5 2.1 11.5 3.7 64 64 A L E +b 27 0A 7 -20,-0.5 -36,-0.2 -2,-0.4 2,-0.2 -0.819 42.6 139.6 -96.4 119.5 1.2 10.8 7.3 65 65 A A > + 0 0 13 -38,-3.3 3,-2.4 -2,-0.6 5,-0.2 -0.482 40.9 43.2-133.2-157.4 4.1 11.2 9.8 66 66 A G G > S+ 0 0 26 1,-0.3 3,-2.3 2,-0.2 4,-0.3 -0.231 128.0 7.1 54.7-125.4 4.5 12.7 13.3 67 67 A E G > S+ 0 0 66 -39,-2.3 3,-0.9 1,-0.3 -1,-0.3 0.762 127.8 64.9 -61.0 -22.7 1.6 11.6 15.5 68 68 A F G < S+ 0 0 0 -3,-2.4 12,-2.5 1,-0.2 13,-0.7 0.515 99.6 52.7 -79.3 -4.3 0.4 9.3 12.7 69 69 A Q G < S+ 0 0 105 -3,-2.3 2,-0.2 11,-0.2 -1,-0.2 0.319 88.4 96.1-109.8 1.0 3.7 7.2 13.0 70 70 A T < + 0 0 92 -3,-0.9 8,-2.6 -4,-0.3 2,-0.3 -0.644 54.0 179.8 -91.0 156.3 3.4 6.5 16.7 71 71 A Y B -E 77 0C 80 6,-0.2 2,-0.3 -2,-0.2 6,-0.3 -0.994 30.4-165.0-154.8 153.4 1.9 3.3 18.0 72 72 A D > - 0 0 94 4,-1.2 3,-2.2 -2,-0.3 -2,-0.0 -0.942 21.0-146.5-139.1 118.7 1.0 1.2 21.0 73 73 A L T 3 S+ 0 0 22 -2,-0.3 93,-0.3 1,-0.3 95,-0.1 0.782 103.9 43.3 -56.4 -28.1 0.2 -2.5 20.2 74 74 A K T 3 S+ 0 0 132 2,-0.1 -1,-0.3 91,-0.1 2,-0.1 0.252 128.5 21.5-101.8 10.5 -2.4 -2.5 22.9 75 75 A G S < S- 0 0 12 -3,-2.2 91,-0.6 1,-0.1 2,-0.3 -0.380 113.5 -15.0-142.1-138.1 -3.8 0.9 22.0 76 76 A W E - F 0 165C 87 -2,-0.1 -4,-1.2 89,-0.1 2,-0.5 -0.596 51.1-160.5 -83.4 140.2 -3.9 3.2 19.0 77 77 A V E -EF 71 164C 0 87,-2.9 87,-2.5 -2,-0.3 -6,-0.2 -0.979 21.5-122.8-121.9 118.0 -1.6 2.5 16.1 78 78 A G E > - F 0 163C 1 -8,-2.6 3,-1.5 -2,-0.5 85,-0.3 -0.308 13.5-130.0 -63.8 143.5 -0.9 5.4 13.7 79 79 A A T 3 S+ 0 0 1 83,-2.4 30,-2.6 1,-0.3 31,-0.4 0.696 105.9 61.9 -69.3 -20.4 -1.7 4.7 10.0 80 80 A G T 3 S+ 0 0 1 -12,-2.5 -1,-0.3 82,-0.4 -11,-0.2 0.508 80.3 110.0 -80.4 -6.2 1.8 6.0 8.9 81 81 A T S < S- 0 0 5 -3,-1.5 27,-2.7 -13,-0.7 2,-0.4 -0.455 78.9-110.0 -66.7 140.5 3.4 3.2 10.9 82 82 A L B >> -I 107 0D 72 25,-0.2 4,-1.7 -13,-0.1 3,-0.7 -0.603 14.4-142.6 -75.8 127.9 5.0 0.5 8.8 83 83 A L H 3> S+ 0 0 1 23,-3.0 4,-2.6 -2,-0.4 5,-0.2 0.890 100.6 60.0 -56.1 -42.7 3.2 -2.9 8.9 84 84 A P H 3> S+ 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.856 104.4 51.6 -57.3 -30.9 6.6 -4.8 8.8 85 85 A L H <> S+ 0 0 67 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.944 109.9 48.0 -65.1 -49.9 7.5 -3.0 12.1 86 86 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.880 106.3 57.4 -61.1 -39.1 4.2 -4.0 13.7 87 87 A V H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.937 113.6 39.3 -55.5 -48.0 4.6 -7.7 12.6 88 88 A Q H X S+ 0 0 68 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.893 114.5 53.0 -71.7 -38.9 8.0 -7.9 14.4 89 89 A E H X S+ 0 0 46 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.886 106.1 53.9 -62.8 -39.0 6.8 -5.8 17.4 90 90 A A H <>S+ 0 0 2 -4,-2.7 5,-2.9 2,-0.2 4,-0.5 0.943 108.3 49.2 -62.1 -46.4 3.8 -8.1 17.9 91 91 A A H ><5S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.931 109.9 51.8 -56.3 -46.8 6.1 -11.2 18.0 92 92 A R H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.836 111.4 48.1 -58.2 -34.2 8.4 -9.4 20.6 93 93 A A T 3<5S- 0 0 55 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.440 115.0-114.7 -86.6 -3.2 5.3 -8.7 22.7 94 94 A G T < 5 + 0 0 13 -3,-1.5 77,-2.1 -4,-0.5 2,-0.5 0.867 69.7 143.2 67.3 36.4 4.0 -12.3 22.5 95 95 A L E < -J 170 0E 6 -5,-2.9 3,-0.3 75,-0.2 2,-0.3 -0.947 35.4-157.5-116.2 120.8 1.0 -11.0 20.6 96 96 A S E +J 169 0E 6 73,-3.5 73,-2.1 -2,-0.5 77,-0.0 -0.678 56.8 77.7 -97.4 146.3 -0.5 -13.1 17.8 97 97 A G S S+ 0 0 34 -2,-0.3 -1,-0.2 71,-0.2 70,-0.1 0.225 82.5 64.4 143.1 -13.4 -2.6 -11.9 14.9 98 98 A L > + 0 0 2 -3,-0.3 3,-2.3 -11,-0.1 4,-0.2 0.425 66.1 101.9-111.4 -0.7 -0.2 -10.3 12.4 99 99 A E G > S+ 0 0 14 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.835 78.0 57.8 -57.6 -37.2 1.9 -13.3 11.4 100 100 A G G 3 S+ 0 0 10 1,-0.3 21,-0.4 20,-0.2 20,-0.3 0.512 98.4 62.6 -71.2 -4.5 0.0 -13.7 8.1 101 101 A L G X S+ 0 0 4 -3,-2.3 3,-1.6 19,-0.1 -1,-0.3 0.351 72.3 127.5-103.0 2.9 1.0 -10.2 7.1 102 102 A L T < S+ 0 0 26 -3,-1.5 -3,-0.0 1,-0.2 -19,-0.0 -0.356 70.1 27.7 -57.6 136.5 4.7 -10.9 7.1 103 103 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.442 86.0 120.2 90.1 2.3 6.4 -9.8 3.9 104 104 A I < - 0 0 20 -3,-1.6 2,-2.0 2,-0.1 -1,-0.2 -0.874 52.5-154.9-100.7 108.4 3.8 -7.1 3.0 105 105 A P + 0 0 48 0, 0.0 2,-0.3 0, 0.0 -57,-0.2 -0.306 46.9 133.0 -85.1 59.3 5.8 -3.8 2.8 106 106 A A - 0 0 6 -2,-2.0 -23,-3.0 -59,-0.1 2,-0.3 -0.682 59.3-123.8-104.1 154.2 2.8 -1.6 3.6 107 107 A Q B > -I 82 0D 26 -25,-0.3 4,-2.5 -2,-0.3 -25,-0.2 -0.664 42.3-108.2 -77.0 156.1 2.0 1.3 5.9 108 108 A V H > S+ 0 0 0 -27,-2.7 4,-2.2 -30,-0.3 5,-0.2 0.906 120.0 52.1 -51.0 -45.6 -0.9 0.5 8.1 109 109 A G H > S+ 0 0 13 -30,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.893 111.0 46.5 -62.9 -41.0 -3.2 2.9 6.2 110 110 A G H > S+ 0 0 28 -31,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.853 110.1 53.7 -67.0 -37.1 -2.3 1.3 2.8 111 111 A A H <>S+ 0 0 1 -4,-2.5 5,-2.1 2,-0.2 12,-0.2 0.853 111.9 45.6 -66.3 -36.6 -2.8 -2.2 4.2 112 112 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.951 112.4 49.8 -68.2 -50.2 -6.3 -1.2 5.4 113 113 A K H 3<5S+ 0 0 94 -4,-2.6 40,-0.3 1,-0.3 -2,-0.2 0.899 122.9 32.6 -55.8 -41.7 -7.1 0.5 2.0 114 114 A M T 3<5S- 0 0 49 -4,-2.3 -1,-0.3 38,-0.1 -2,-0.2 0.177 101.3-130.2-101.9 15.1 -6.0 -2.6 0.1 115 115 A N T < 5 - 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