==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-OCT-00 1G4E . COMPND 2 MOLECULE: THIAMIN PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.H.PEAPUS,H.-J.CHIU,N.CAMPOBASSO,J.J.REDDICK,T.P.BEGLEY, . 438 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 2 2 0 5 3 0 2 2 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 6 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 H 0 0 87 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 97.5 33.6 30.5 15.8 2 11 A G - 0 0 16 1,-0.2 2,-0.5 93,-0.0 312,-0.2 -0.137 360.0 -38.4-105.0-157.4 36.7 32.2 14.6 3 12 A I - 0 0 25 310,-2.0 2,-0.2 309,-0.1 -1,-0.2 -0.564 66.6-133.2 -70.4 117.9 37.5 34.8 11.9 4 13 A R - 0 0 71 -2,-0.5 110,-0.4 1,-0.1 111,-0.1 -0.520 27.2-179.2 -78.0 137.9 35.3 33.8 8.9 5 14 A M S S+ 0 0 75 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.287 74.6 36.8-113.4 4.0 36.8 33.7 5.4 6 15 A T S S- 0 0 87 108,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.971 97.9 -85.7-150.2 157.5 33.6 32.7 3.8 7 16 A R - 0 0 104 -2,-0.3 108,-0.1 1,-0.1 109,-0.1 -0.404 57.8 -98.5 -65.0 142.3 29.9 33.5 4.2 8 17 A I - 0 0 11 106,-0.3 -1,-0.1 107,-0.1 2,-0.1 -0.298 41.1-108.0 -62.4 144.8 28.2 31.3 6.8 9 18 A S > - 0 0 64 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.437 19.4-124.7 -72.9 150.9 26.3 28.3 5.4 10 19 A R H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 110.9 57.2 -63.1 -36.9 22.5 28.5 5.6 11 20 A E H > S+ 0 0 146 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.934 110.9 42.1 -60.0 -45.8 22.4 25.2 7.5 12 21 A M H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 112.7 53.3 -68.4 -40.5 24.7 26.6 10.2 13 22 A M H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.921 107.4 52.1 -60.3 -44.5 22.9 29.9 10.4 14 23 A K H < S+ 0 0 52 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.842 108.7 49.9 -62.9 -33.6 19.6 28.2 10.9 15 24 A E H >< S+ 0 0 115 -4,-1.3 3,-1.1 1,-0.2 4,-0.3 0.901 108.6 53.1 -72.0 -38.2 20.9 26.1 13.8 16 25 A L H 3< S+ 0 0 17 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.825 101.5 60.5 -64.9 -31.9 22.4 29.2 15.5 17 26 A L T >< S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.2 174,-0.4 0.618 75.2 100.2 -72.7 -12.4 19.0 31.0 15.3 18 27 A S T < S+ 0 0 12 -3,-1.1 173,-2.2 -4,-0.4 2,-0.5 0.863 100.5 8.7 -38.6 -64.2 17.2 28.4 17.4 19 28 A V E 3 S-a 191 0A 0 -3,-0.4 26,-2.0 -4,-0.3 27,-1.4 -0.843 79.5-176.9-127.1 92.2 17.3 30.3 20.7 20 29 A Y E < -ab 192 46A 1 171,-2.6 173,-1.7 -3,-0.6 2,-0.4 -0.788 8.6-160.6 -98.3 97.9 18.5 33.9 20.0 21 30 A F E -ab 193 47A 2 25,-2.1 27,-2.6 -2,-0.9 2,-0.4 -0.659 5.4-168.9 -84.1 127.0 18.9 35.9 23.2 22 31 A I E + b 0 48A 12 171,-2.6 2,-0.3 -2,-0.4 176,-0.2 -0.951 18.3 158.9-114.8 130.8 18.9 39.7 22.8 23 32 A M E + b 0 49A 0 25,-2.4 27,-2.0 -2,-0.4 2,-0.3 -0.980 24.2 179.0-161.0 148.3 19.9 41.9 25.7 24 33 A G > - 0 0 0 -2,-0.3 3,-1.8 25,-0.2 27,-0.2 -0.831 50.2 -97.2-132.5 168.8 21.2 45.2 27.0 25 34 A S G > S+ 0 0 22 -2,-0.3 3,-0.9 1,-0.3 26,-0.1 0.789 121.1 59.1 -61.6 -28.4 21.7 46.4 30.6 26 35 A N G 3 S+ 0 0 72 1,-0.2 -1,-0.3 26,-0.1 29,-0.1 0.415 91.3 71.2 -82.7 4.5 18.4 48.2 30.6 27 36 A N G < S+ 0 0 29 -3,-1.8 2,-0.3 1,-0.1 -1,-0.2 0.381 100.1 41.9 -99.3 2.6 16.5 44.9 30.0 28 37 A T < - 0 0 23 -3,-0.9 171,-0.1 2,-0.1 -1,-0.1 -0.994 58.1-147.8-148.7 154.1 17.1 43.4 33.4 29 38 A K S S+ 0 0 198 -2,-0.3 170,-0.1 169,-0.3 -1,-0.1 0.509 85.4 74.4 -94.4 -9.7 17.2 44.3 37.1 30 39 A A S S- 0 0 53 168,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.190 108.9 -62.4 -90.8-174.6 19.9 41.8 37.7 31 40 A D > - 0 0 90 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.639 49.8-140.3 -74.0 119.8 23.6 42.0 36.8 32 41 A P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.891 96.9 43.2 -45.0 -59.5 23.7 42.2 33.0 33 42 A V H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 112.0 55.1 -60.3 -38.4 26.7 40.0 32.3 34 43 A T H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 106.9 50.7 -61.5 -39.8 25.6 37.5 34.9 35 44 A V H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.903 110.1 49.7 -64.7 -40.9 22.2 37.2 33.1 36 45 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 110.0 51.0 -64.0 -43.3 24.0 36.6 29.8 37 46 A Q H X S+ 0 0 99 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.910 112.2 47.0 -60.0 -42.6 26.2 33.9 31.4 38 47 A K H X S+ 0 0 92 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.895 110.0 52.1 -67.2 -41.1 23.1 32.2 32.7 39 48 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.2 0.908 112.3 46.6 -61.8 -41.4 21.2 32.4 29.4 40 49 A L H <5S+ 0 0 17 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.902 110.1 52.7 -67.9 -40.5 24.2 30.8 27.7 41 50 A K H <5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 108.4 52.7 -62.6 -35.6 24.6 28.1 30.3 42 51 A G H <5S- 0 0 7 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.768 131.6 -82.5 -73.1 -27.7 20.9 27.2 29.8 43 52 A G T <5 + 0 0 10 -4,-1.2 -3,-0.2 -3,-0.3 -24,-0.2 0.507 64.8 158.8 140.3 3.7 21.1 26.8 26.1 44 53 A A < - 0 0 3 -5,-2.2 -1,-0.2 1,-0.1 -24,-0.2 -0.343 23.6-161.2 -56.6 135.1 20.9 30.1 24.2 45 54 A T + 0 0 14 -26,-2.0 2,-0.3 1,-0.2 -25,-0.2 0.581 69.7 18.4 -96.6 -13.6 22.4 29.4 20.7 46 55 A L E -b 20 0A 0 -27,-1.4 -25,-2.1 32,-0.2 2,-0.4 -0.978 66.3-153.6-154.4 148.3 23.2 33.0 19.7 47 56 A Y E -bc 21 80A 1 32,-1.5 34,-3.0 -2,-0.3 2,-0.5 -0.995 0.5-158.6-133.5 135.5 23.5 36.3 21.6 48 57 A Q E -bc 22 81A 3 -27,-2.6 -25,-2.4 -2,-0.4 2,-0.8 -0.952 13.1-144.0-115.9 120.6 22.9 39.9 20.4 49 58 A F E +bc 23 82A 2 32,-3.3 34,-2.6 -2,-0.5 2,-0.5 -0.723 26.3 173.5 -80.9 109.8 24.5 42.8 22.3 50 59 A R + 0 0 81 -27,-2.0 2,-0.6 -2,-0.8 34,-0.1 -0.848 7.4 158.9-125.5 94.9 21.9 45.5 22.2 51 60 A E + 0 0 4 -2,-0.5 2,-0.3 32,-0.2 -2,-0.0 -0.862 28.1 107.0-121.3 95.0 22.9 48.5 24.3 52 61 A K + 0 0 107 -2,-0.6 3,-0.1 1,-0.1 -26,-0.1 -0.989 49.9 18.8-161.4 164.4 21.2 51.8 23.3 53 62 A G S > S+ 0 0 57 -2,-0.3 3,-2.3 1,-0.2 -27,-0.1 0.191 93.8 35.8 60.6 176.1 18.6 54.4 24.3 54 63 A G T 3 S- 0 0 78 1,-0.3 -1,-0.2 -28,-0.0 0, 0.0 -0.099 130.8 -21.6 46.8-133.5 17.0 55.0 27.6 55 64 A D T 3 S+ 0 0 158 -3,-0.1 -1,-0.3 -29,-0.1 -2,-0.1 -0.018 95.0 145.6 -97.1 29.7 19.4 54.5 30.5 56 65 A A < - 0 0 15 -3,-2.3 -3,-0.1 1,-0.1 6,-0.1 -0.233 57.8 -94.9 -64.8 155.9 21.8 52.3 28.6 57 66 A L - 0 0 70 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.361 45.7-164.0 -68.5 152.9 25.5 52.5 29.2 58 67 A T >> - 0 0 111 -3,-0.1 4,-1.3 -6,-0.1 3,-0.9 -0.822 41.2 -1.1-133.2 171.8 27.5 54.8 27.0 59 68 A G H 3> S- 0 0 52 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 -0.072 124.0 -9.1 51.2-139.7 31.1 55.4 26.0 60 69 A E H 3> S+ 0 0 152 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.810 133.8 58.9 -60.9 -33.9 33.9 53.3 27.6 61 70 A A H <> S+ 0 0 54 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.901 107.5 47.1 -63.2 -40.4 31.5 51.7 30.1 62 71 A R H X S+ 0 0 40 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.897 111.5 50.9 -67.2 -41.3 29.4 50.4 27.2 63 72 A I H X S+ 0 0 55 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 49.2 -63.7 -42.4 32.5 49.1 25.5 64 73 A K H X S+ 0 0 59 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.883 109.8 51.5 -65.3 -38.4 33.7 47.3 28.6 65 74 A F H X S+ 0 0 13 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.934 109.1 51.7 -62.8 -44.0 30.3 45.7 29.1 66 75 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.916 107.2 52.6 -58.2 -44.6 30.4 44.5 25.5 67 76 A E H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.895 111.4 46.4 -58.9 -41.8 33.9 43.0 26.0 68 77 A K H X S+ 0 0 108 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.871 112.0 49.4 -70.5 -37.2 32.6 41.0 29.0 69 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.906 112.1 49.8 -67.3 -39.4 29.5 39.8 27.2 70 79 A Q H X S+ 0 0 22 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.899 108.4 52.5 -64.5 -40.7 31.7 38.7 24.3 71 80 A A H X S+ 0 0 60 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 107.6 52.6 -62.5 -38.5 34.0 36.9 26.7 72 81 A A H X S+ 0 0 10 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.908 109.5 48.7 -63.3 -41.5 30.9 35.1 28.1 73 82 A C H X>S+ 0 0 1 -4,-2.0 5,-2.4 1,-0.2 4,-1.2 0.908 108.9 53.3 -64.6 -42.0 29.9 34.0 24.6 74 83 A R H ><5S+ 0 0 101 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.924 107.5 51.0 -58.7 -44.8 33.4 32.8 23.9 75 84 A E H 3<5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.797 114.1 44.5 -64.4 -28.6 33.4 30.6 27.0 76 85 A A H 3<5S- 0 0 48 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.576 110.6-120.9 -91.5 -11.4 30.1 29.1 26.0 77 86 A G T <<5 + 0 0 53 -4,-1.2 -3,-0.2 -3,-0.6 -2,-0.1 0.803 68.8 133.8 75.1 30.2 31.1 28.6 22.3 78 87 A V < - 0 0 18 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.884 60.3-105.7-114.5 141.6 28.3 30.8 21.1 79 88 A P - 0 0 1 0, 0.0 -32,-1.5 0, 0.0 2,-0.6 -0.348 25.6-138.0 -67.6 148.6 28.6 33.6 18.5 80 89 A F E -c 47 0A 1 -34,-0.1 15,-2.3 -32,-0.1 16,-1.0 -0.937 20.6-170.4-110.6 115.2 28.5 37.3 19.7 81 90 A I E -cd 48 96A 0 -34,-3.0 -32,-3.3 -2,-0.6 2,-0.4 -0.873 10.9-144.4-109.0 139.5 26.4 39.6 17.5 82 91 A V E -cd 49 97A 0 14,-2.4 16,-2.4 -2,-0.4 2,-0.5 -0.865 14.5-128.2-106.1 135.2 26.3 43.4 17.8 83 92 A N E S- d 0 98A 14 -34,-2.6 2,-2.5 -2,-0.4 -32,-0.2 -0.714 73.5 -38.3 -84.8 123.3 23.2 45.5 17.2 84 93 A D S S+ 0 0 62 14,-3.3 2,-1.5 -2,-0.5 -1,-0.1 -0.077 104.2 109.5 60.8 -37.7 23.6 48.4 14.8 85 94 A D > + 0 0 49 -2,-2.5 4,-2.3 1,-0.2 5,-0.2 -0.535 36.6 173.2 -76.6 86.1 27.2 49.4 15.9 86 95 A V H > S+ 0 0 29 -2,-1.5 4,-2.5 1,-0.2 5,-0.2 0.904 78.6 53.4 -58.0 -45.9 29.4 48.4 12.9 87 96 A E H > S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 109.9 47.5 -58.2 -42.2 32.5 50.1 14.4 88 97 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 110.6 52.3 -65.7 -43.8 32.1 48.2 17.7 89 98 A A H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-0.8 0.913 114.1 42.7 -59.0 -43.7 31.6 44.9 15.9 90 99 A L H <5S+ 0 0 22 -4,-2.5 136,-2.3 3,-0.2 3,-0.4 0.922 113.6 51.9 -68.9 -43.9 34.8 45.5 13.9 91 100 A N H <5S+ 0 0 60 -4,-2.7 -2,-0.2 134,-0.3 -1,-0.2 0.866 117.4 37.3 -60.8 -39.9 36.8 46.7 16.9 92 101 A L H <5S- 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.523 107.4-121.5 -90.4 -6.8 35.9 43.7 19.1 93 102 A K T <5 - 0 0 21 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.937 45.3-173.9 63.3 45.7 36.0 41.2 16.3 94 103 A A < - 0 0 2 -5,-2.8 -13,-0.2 -6,-0.2 3,-0.1 -0.190 33.9-117.1 -64.3 166.2 32.4 40.3 16.9 95 104 A D S S- 0 0 22 -15,-2.3 21,-2.6 1,-0.2 2,-0.3 0.695 80.3 -34.6 -81.4 -17.6 30.9 37.4 15.0 96 105 A G E -de 81 116A 0 -16,-1.0 -14,-2.4 19,-0.2 2,-0.3 -0.990 53.9-108.9-178.9-175.0 28.4 39.6 13.3 97 106 A I E -de 82 117A 0 19,-2.7 21,-2.8 -2,-0.3 2,-0.4 -0.985 12.4-152.6-140.9 148.4 26.0 42.5 13.3 98 107 A H E -de 83 118A 18 -16,-2.4 -14,-3.3 -2,-0.3 2,-0.3 -0.989 19.2-178.3-122.0 129.3 22.2 43.0 13.3 99 108 A I E - e 0 119A 3 19,-2.7 21,-2.4 -2,-0.4 2,-0.2 -0.911 15.3-142.9-127.5 155.8 20.6 46.0 11.7 100 109 A G 0 0 27 -2,-0.3 21,-0.1 19,-0.2 5,-0.0 -0.434 360.0 360.0-103.5-177.7 17.1 47.3 11.3 101 110 A Q 0 0 99 -2,-0.2 4,-0.1 3,-0.1 -1,-0.0 0.744 360.0 360.0 -72.9 360.0 15.5 49.1 8.4 102 ! 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 0.0 103 113 A A 0 0 91 0, 0.0 2,-0.7 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 131.7 21.1 51.7 7.9 104 114 A N > - 0 0 81 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.878 360.0-159.9 -99.8 110.6 22.1 50.5 4.4 105 115 A A H > S+ 0 0 8 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.863 90.8 53.5 -57.5 -40.8 22.5 46.7 4.3 106 116 A K H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 110.7 46.9 -61.7 -42.2 24.7 46.8 1.2 107 117 A E H > S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.895 112.2 49.9 -67.2 -41.2 27.1 49.2 2.8 108 118 A V H X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.928 108.6 52.2 -64.6 -44.4 27.2 47.2 6.1 109 119 A R H X S+ 0 0 31 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.891 109.5 50.8 -58.3 -39.0 27.9 44.0 4.2 110 120 A A H < S+ 0 0 81 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.870 110.8 48.9 -66.4 -36.3 30.8 45.7 2.5 111 121 A A H < S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.761 112.5 45.8 -76.4 -25.2 32.2 47.0 5.8 112 122 A I H >< S- 0 0 0 -4,-1.7 3,-1.9 1,-0.3 2,-0.2 0.336 85.3-153.7-103.9 7.9 32.1 43.6 7.6 113 123 A G T 3< S- 0 0 27 -4,-0.5 -1,-0.3 -3,-0.5 -108,-0.1 -0.385 72.6 -15.5 60.9-122.3 33.5 41.2 5.1 114 124 A D T 3 S+ 0 0 57 -110,-0.4 -106,-0.3 -2,-0.2 -1,-0.2 0.151 98.7 129.3-103.6 18.9 32.2 37.7 5.8 115 125 A M S < S- 0 0 12 -3,-1.9 -19,-0.2 -6,-0.2 2,-0.2 -0.216 73.0 -82.3 -66.4 163.0 30.9 38.3 9.3 116 126 A I E -e 96 0A 3 -21,-2.6 -19,-2.7 -109,-0.1 2,-0.5 -0.496 47.1-162.3 -69.9 133.7 27.3 37.3 10.1 117 127 A L E -e 97 0A 0 -21,-0.2 19,-2.9 -2,-0.2 20,-1.5 -0.967 8.0-174.7-124.8 119.8 24.7 39.9 9.0 118 128 A G E -ef 98 137A 0 -21,-2.8 -19,-2.7 -2,-0.5 2,-0.4 -0.907 3.6-167.4-112.0 141.2 21.2 40.0 10.2 119 129 A V E -ef 99 138A 4 18,-1.9 20,-2.0 -2,-0.4 2,-0.3 -0.991 20.5-129.8-132.0 128.1 18.5 42.3 8.9 120 130 A A E - 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