==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JAN-05 1YON . COMPND 2 MOLECULE: 2-DEHYDROPANTOATE 2-REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.CIULLI,C.M.C.LOBLEY,K.L.TUCK,G.WILLIAMS,A.G.SMITH, . 292 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 1 0 0 2 0 2 0 2 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 M 0 0 52 0, 0.0 2,-0.6 0, 0.0 24,-0.5 0.000 360.0 360.0 360.0 149.8 10.6 7.8 -12.8 2 2 A K E -a 25 0A 44 22,-0.2 63,-2.7 61,-0.2 64,-1.1 -0.794 360.0-179.3 -98.6 115.8 14.3 8.5 -11.9 3 3 A I E -ab 26 66A 0 22,-2.6 24,-1.5 -2,-0.6 2,-0.5 -0.969 26.1-156.8-124.1 136.1 15.0 8.1 -8.2 4 4 A T E -ab 27 67A 0 62,-2.2 64,-2.7 -2,-0.4 2,-0.7 -0.953 17.1-156.1 -98.2 120.7 18.1 8.4 -6.0 5 5 A V E -ab 28 68A 0 22,-2.8 24,-2.3 -2,-0.5 2,-0.7 -0.916 5.2-152.1 -99.0 112.4 17.6 6.3 -2.8 6 6 A L E S+ab 29 69A 0 62,-3.0 64,-3.1 -2,-0.7 65,-0.3 -0.790 72.0 37.1 -86.4 117.2 19.8 7.7 -0.0 7 7 A G - 0 0 5 22,-2.9 23,-0.1 -2,-0.7 64,-0.1 0.318 59.4-157.4 104.5 116.0 20.6 4.8 2.2 8 8 A a + 0 0 16 4,-0.1 -1,-0.1 20,-0.1 30,-0.1 -0.007 58.6 109.9-115.7 31.8 21.3 1.3 0.9 9 9 A G S > S- 0 0 31 61,-0.1 4,-2.6 30,-0.0 5,-0.3 0.173 91.9 -57.0 -83.0-155.0 20.5 -0.5 4.2 10 10 A A H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 113,-0.1 0.934 137.6 38.2 -62.6 -54.4 17.4 -2.7 4.7 11 11 A L H > S+ 0 0 41 59,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 116.5 53.3 -63.5 -41.6 14.7 -0.2 3.9 12 12 A G H > S+ 0 0 0 58,-0.3 4,-3.0 1,-0.2 -2,-0.2 0.909 110.0 47.2 -59.8 -42.8 16.7 1.3 1.0 13 13 A Q H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.859 108.4 56.4 -71.2 -32.4 17.2 -2.1 -0.6 14 14 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.983 113.6 39.2 -57.9 -53.3 13.5 -2.9 -0.1 15 15 A W H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.928 114.9 52.5 -64.0 -42.2 12.6 0.3 -2.1 16 16 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.906 111.8 47.1 -61.2 -40.1 15.4 -0.1 -4.7 17 17 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.924 113.7 46.2 -65.3 -52.1 14.3 -3.6 -5.4 18 18 A A H X S+ 0 0 5 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.891 113.2 50.3 -59.8 -42.9 10.7 -2.8 -5.7 19 19 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.0 -5,-0.2 3,-1.0 0.934 109.6 49.3 -60.4 -49.9 11.5 0.2 -7.9 20 20 A C H ><5S+ 0 0 37 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.842 104.5 60.9 -54.8 -38.0 13.8 -1.9 -10.3 21 21 A K H 3<5S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.698 108.2 43.8 -68.6 -17.7 11.0 -4.5 -10.5 22 22 A Q T <<5S- 0 0 107 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.307 120.4-108.8-107.8 8.7 8.7 -1.8 -12.0 23 23 A G T < 5 + 0 0 66 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.608 62.6 152.9 80.6 12.0 11.4 -0.4 -14.3 24 24 A H < - 0 0 33 -5,-2.0 2,-0.5 -6,-0.2 -1,-0.3 -0.563 50.8-115.1 -72.0 141.4 12.1 2.8 -12.6 25 25 A E E +a 2 0A 111 -24,-0.5 -22,-2.6 -2,-0.3 2,-0.3 -0.643 49.3 173.6 -80.9 120.2 15.6 4.1 -13.2 26 26 A V E -a 3 0A 14 -2,-0.5 28,-0.4 -24,-0.2 2,-0.3 -0.869 25.1-177.1-131.5 158.8 17.4 4.1 -9.8 27 27 A Q E -a 4 0A 0 -24,-1.5 -22,-2.8 -2,-0.3 2,-0.3 -0.954 24.0-126.2-141.7 161.2 20.7 4.7 -8.0 28 28 A G E -ac 5 55A 0 26,-3.1 28,-2.0 -2,-0.3 2,-0.4 -0.682 11.9-149.6 -96.2 159.5 21.8 4.4 -4.5 29 29 A W E -a 6 0A 35 -24,-2.3 -22,-2.9 -2,-0.3 2,-0.4 -0.972 11.8-163.9-131.9 122.0 23.5 7.0 -2.5 30 30 A L - 0 0 33 -2,-0.4 4,-0.1 4,-0.2 -24,-0.0 -0.858 21.0-143.6-105.9 129.5 25.9 5.9 0.3 31 31 A R S S+ 0 0 127 -2,-0.4 -1,-0.1 1,-0.2 -25,-0.0 0.928 106.1 44.4 -55.7 -45.3 27.0 8.2 3.1 32 32 A V S S- 0 0 92 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 -0.888 109.0-124.0 -95.4 103.1 30.4 6.5 2.8 33 33 A P + 0 0 84 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.142 34.7 176.7 -58.5 137.6 30.9 6.4 -1.0 34 34 A Q - 0 0 114 -4,-0.1 -4,-0.2 1,-0.0 21,-0.1 -0.900 45.9-107.6-130.2 157.0 31.4 3.0 -2.5 35 35 A P S S+ 0 0 106 0, 0.0 20,-0.7 0, 0.0 2,-0.3 0.807 97.8 4.6 -62.4 -23.2 31.7 2.5 -6.3 36 36 A Y E S-H 54 0B 125 18,-0.2 2,-0.6 -9,-0.0 18,-0.2 -0.946 73.2-108.0-153.4 170.1 28.2 0.8 -6.3 37 37 A a E -H 53 0B 1 16,-3.1 16,-2.8 -2,-0.3 2,-0.5 -0.915 29.0-144.5-108.8 115.0 25.2 -0.1 -4.2 38 38 A S E -H 52 0B 62 -2,-0.6 2,-0.5 14,-0.2 14,-0.2 -0.721 15.6-172.1 -82.0 124.9 24.7 -3.8 -3.4 39 39 A V E +H 51 0B 0 12,-2.6 12,-2.6 -2,-0.5 2,-0.3 -0.984 14.5 162.3-118.8 128.1 21.1 -4.9 -3.3 40 40 A N E +H 50 0B 37 -2,-0.5 89,-2.8 10,-0.2 2,-0.4 -0.789 15.8 162.6-149.7 91.8 20.5 -8.5 -2.0 41 41 A L E -Hi 49 129B 0 8,-2.7 8,-2.6 -2,-0.3 2,-0.6 -0.975 29.7-153.2-130.2 132.3 16.9 -8.9 -1.0 42 42 A V E -Hi 48 130B 33 87,-2.9 89,-2.9 -2,-0.4 6,-0.2 -0.917 25.9-141.4-105.6 118.5 14.7 -12.0 -0.5 43 43 A E > - 0 0 30 4,-2.6 3,-1.9 -2,-0.6 -1,-0.0 -0.151 28.3 -97.0 -77.1 173.5 11.1 -11.2 -1.1 44 44 A T T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.759 125.4 53.7 -62.8 -29.5 8.0 -12.5 0.8 45 45 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.186 122.6-104.0 -86.4 12.3 7.6 -15.3 -1.8 46 46 A G S < S+ 0 0 51 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.0 0.296 75.3 140.4 80.0 -10.0 11.2 -16.5 -1.4 47 47 A S - 0 0 45 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 -0.283 43.7-137.1 -62.5 150.8 12.4 -14.9 -4.7 48 48 A I E -H 42 0B 115 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.930 15.5-168.0-117.1 136.9 15.9 -13.3 -4.7 49 49 A F E +H 41 0B 32 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.5 -0.970 15.3 170.7-121.1 111.6 16.9 -9.9 -6.1 50 50 A N E +H 40 0B 107 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.971 15.5 146.4-128.6 113.4 20.7 -9.6 -6.2 51 51 A E E -H 39 0B 92 -12,-2.6 -12,-2.6 -2,-0.5 2,-0.6 -0.999 44.3-136.8-153.5 138.9 22.0 -6.6 -8.1 52 52 A S E -H 38 0B 70 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.913 34.8-170.6-101.2 122.5 24.8 -4.1 -8.1 53 53 A L E -H 37 0B 21 -16,-2.8 -16,-3.1 -2,-0.6 -26,-0.1 -0.787 30.5 -85.6-116.1 156.1 23.3 -0.7 -8.8 54 54 A T E -H 36 0B 73 -28,-0.4 -26,-3.1 -2,-0.3 2,-0.4 -0.272 47.8-165.7 -55.2 143.4 24.9 2.7 -9.6 55 55 A A B +c 28 0A 11 -20,-0.7 -26,-0.2 -28,-0.2 -51,-0.0 -0.998 52.9 0.7-134.5 144.6 25.8 4.7 -6.5 56 56 A N + 0 0 29 -28,-2.0 -27,-0.1 -2,-0.4 -1,-0.1 0.782 68.4 157.6 61.6 33.8 26.8 8.3 -5.8 57 57 A D > - 0 0 57 -29,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.875 27.7-161.1 -87.3 112.5 26.5 9.6 -9.3 58 58 A P H > S+ 0 0 67 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.803 88.8 54.6 -71.2 -27.0 26.0 13.4 -8.9 59 59 A D H > S+ 0 0 121 2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.857 109.5 47.8 -70.7 -37.6 24.7 13.9 -12.5 60 60 A F H >4 S+ 0 0 17 -3,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.892 113.1 49.5 -63.8 -45.3 22.0 11.2 -11.8 61 61 A L H >< S+ 0 0 1 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.943 106.7 55.3 -57.1 -48.3 21.2 13.0 -8.5 62 62 A A H 3< S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.608 115.6 37.7 -65.0 -16.2 21.0 16.3 -10.3 63 63 A T T << S+ 0 0 79 -3,-0.8 -1,-0.3 -4,-0.5 2,-0.2 0.100 87.9 126.4-120.2 18.9 18.4 14.9 -12.7 64 64 A S < - 0 0 2 -3,-1.8 -61,-0.2 1,-0.1 3,-0.1 -0.531 52.6-150.1 -80.9 145.0 16.4 12.7 -10.3 65 65 A D S S+ 0 0 78 -63,-2.7 2,-0.3 1,-0.3 -62,-0.2 0.586 83.7 19.1 -83.6 -16.2 12.7 13.2 -10.0 66 66 A L E -b 3 0A 0 -64,-1.1 -62,-2.2 25,-0.2 2,-0.6 -0.952 58.2-151.8-155.3 135.6 12.8 12.1 -6.3 67 67 A L E -bd 4 93A 0 25,-2.1 27,-2.8 -2,-0.3 2,-0.6 -0.975 22.6-164.1-103.1 111.8 15.4 11.7 -3.5 68 68 A L E -bd 5 94A 1 -64,-2.7 -62,-3.0 -2,-0.6 2,-0.6 -0.902 4.7-157.5-103.0 118.8 14.1 8.9 -1.3 69 69 A V E +bd 6 95A 0 25,-3.2 27,-3.0 -2,-0.6 -62,-0.2 -0.891 25.9 162.3-111.3 119.4 15.8 8.9 2.0 70 70 A T + 0 0 17 -64,-3.1 -58,-0.3 -2,-0.6 -59,-0.2 0.061 33.4 128.1-126.4 21.7 15.9 5.8 4.1 71 71 A L - 0 0 15 -65,-0.3 5,-0.1 1,-0.1 25,-0.1 -0.338 69.5 -89.0 -70.9 159.5 18.7 6.6 6.5 72 72 A K >> - 0 0 85 1,-0.1 3,-2.0 25,-0.1 4,-1.0 -0.364 48.0-103.9 -66.0 150.6 18.5 6.3 10.3 73 73 A A H >> S+ 0 0 0 25,-0.3 4,-0.6 1,-0.3 3,-0.6 0.792 118.2 53.6 -53.1 -45.1 17.3 9.5 11.9 74 74 A W H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.699 111.7 47.1 -68.5 -16.7 20.5 10.8 13.2 75 75 A Q H <> S+ 0 0 36 -3,-2.0 4,-1.5 2,-0.1 -1,-0.2 0.593 95.1 81.3 -90.4 -17.3 22.2 10.5 9.7 76 76 A V H S+ 0 0 116 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 115.6 47.1 -64.4 -41.4 23.4 16.2 7.4 79 79 A A H X S+ 0 0 10 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.918 114.0 46.8 -67.8 -41.0 23.3 13.8 4.4 80 80 A V H >X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-1.2 0.933 110.6 51.2 -69.2 -43.3 20.3 15.6 2.8 81 81 A K H 3X S+ 0 0 107 -4,-2.4 4,-0.5 1,-0.3 -1,-0.2 0.857 106.0 57.1 -61.2 -32.0 21.7 19.0 3.3 82 82 A S H 3< S+ 0 0 79 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.670 115.1 37.1 -71.5 -19.8 24.9 17.8 1.6 83 83 A L H XX S+ 0 0 8 -3,-1.2 4,-2.0 -4,-0.7 3,-1.5 0.576 93.1 87.4-103.2 -15.6 23.0 16.8 -1.5 84 84 A A H 3< S+ 0 0 15 -4,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.797 83.2 57.1 -66.1 -30.5 20.4 19.6 -1.6 85 85 A S T 3< S+ 0 0 115 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.671 112.8 42.2 -71.9 -16.4 22.5 21.9 -3.7 86 86 A T T <4 S+ 0 0 56 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.799 97.5 83.0 -93.3 -39.9 22.8 19.3 -6.4 87 87 A L S < S- 0 0 5 -4,-2.0 -25,-0.2 1,-0.1 -24,-0.1 -0.423 97.3-100.9 -65.9 134.2 19.2 18.1 -6.4 88 88 A P > - 0 0 40 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.301 28.5-120.0 -58.8 149.0 17.1 20.3 -8.5 89 89 A V T 3 S+ 0 0 77 1,-0.3 -2,-0.1 22,-0.1 -3,-0.0 0.667 112.1 53.0 -71.8 -16.1 15.1 22.8 -6.4 90 90 A T T 3 S+ 0 0 104 21,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.473 85.5 105.6 -91.6 -5.1 11.7 21.4 -7.7 91 91 A T S < S- 0 0 8 -3,-1.5 -25,-0.2 1,-0.1 -26,-0.1 -0.658 71.5-125.6 -88.9 124.0 12.6 17.8 -6.8 92 92 A P - 0 0 3 0, 0.0 -25,-2.1 0, 0.0 2,-0.5 -0.287 13.2-149.2 -64.8 145.8 10.8 16.4 -3.9 93 93 A I E -de 67 113A 0 19,-2.5 21,-3.2 -27,-0.2 2,-0.5 -0.979 11.1-164.1-116.8 119.5 12.7 14.9 -1.0 94 94 A L E -de 68 114A 1 -27,-2.8 -25,-3.2 -2,-0.5 2,-0.5 -0.953 2.0-161.0-112.8 116.1 10.9 12.0 0.9 95 95 A L E -de 69 115A 1 19,-2.6 21,-2.2 -2,-0.5 2,-0.5 -0.812 9.0-178.8 -96.5 126.0 12.2 11.0 4.3 96 96 A I E + e 0 116A 4 -27,-3.0 2,-0.3 -2,-0.5 21,-0.2 -0.957 31.4 112.9-124.1 110.0 11.2 7.6 5.7 97 97 A H - 0 0 20 19,-0.8 2,-0.2 -2,-0.5 -25,-0.1 -0.975 61.3 -98.3-158.4 173.6 12.5 6.8 9.1 98 98 A N S S+ 0 0 58 -2,-0.3 -25,-0.3 19,-0.1 162,-0.0 -0.568 84.1 36.5 -92.4 156.8 11.6 6.3 12.7 99 99 A G S S- 0 0 11 -2,-0.2 2,-0.3 74,-0.2 161,-0.2 -0.005 74.8-114.3 87.4 166.8 12.0 9.1 15.2 100 100 A M S S+ 0 0 4 159,-2.6 163,-0.1 1,-0.1 164,-0.1 -0.885 72.8 75.8-134.5 164.5 11.3 12.8 14.7 101 101 A G > + 0 0 4 -2,-0.3 4,-0.6 162,-0.1 -1,-0.1 0.307 63.5 103.4 114.6 -3.3 13.2 16.0 14.7 102 102 A T T 4 S+ 0 0 0 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.833 78.7 57.6 -74.1 -27.5 14.9 15.8 11.3 103 103 A I T >4 S+ 0 0 3 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.890 99.3 57.3 -69.0 -36.0 12.5 18.3 9.8 104 104 A E G >4 S+ 0 0 72 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.795 107.9 49.8 -61.8 -26.8 13.4 20.8 12.4 105 105 A E G 3< S+ 0 0 58 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.561 110.8 50.0 -85.8 -9.4 17.0 20.4 11.1 106 106 A L G X + 0 0 1 -3,-1.4 3,-1.5 -4,-0.5 -1,-0.2 -0.042 67.3 123.7-122.5 29.7 15.9 20.8 7.4 107 107 A Q T < S+ 0 0 94 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.805 75.0 51.3 -65.0 -29.7 13.8 24.0 7.7 108 108 A N T 3 S+ 0 0 155 -3,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.346 76.1 124.6 -92.0 5.4 15.9 25.8 5.1 109 109 A I < - 0 0 10 -3,-1.5 4,-0.1 1,-0.2 -3,-0.1 -0.507 47.2-159.7 -64.7 133.9 15.6 23.1 2.4 110 110 A Q + 0 0 157 -2,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.789 64.8 86.6 -90.5 -25.9 14.2 24.7 -0.7 111 111 A Q S S- 0 0 6 1,-0.1 -21,-0.2 -24,-0.1 2,-0.1 -0.267 99.0 -87.2 -64.7 157.4 13.0 21.5 -2.2 112 112 A P - 0 0 14 0, 0.0 -19,-2.5 0, 0.0 2,-0.4 -0.454 49.6-151.6 -60.0 135.7 9.5 20.1 -1.4 113 113 A L E -e 93 0A 0 -21,-0.2 29,-2.8 -2,-0.1 30,-0.5 -0.981 16.8-179.8-121.9 126.3 10.1 18.0 1.7 114 114 A L E -eF 94 141A 0 -21,-3.2 -19,-2.6 -2,-0.4 2,-0.4 -0.860 11.8-151.5-126.8 154.2 7.9 15.0 2.5 115 115 A M E -eF 95 140A 8 25,-2.9 25,-2.7 -2,-0.3 2,-0.3 -0.959 15.0-178.9-131.9 154.2 7.8 12.6 5.3 116 116 A G E -eF 96 139A 2 -21,-2.2 -19,-0.8 -2,-0.4 2,-0.3 -0.940 15.6-163.9-149.3 158.6 6.7 9.0 5.5 117 117 A T E - F 0 138A 16 21,-2.3 21,-2.6 -2,-0.3 2,-0.3 -0.957 13.1-167.5-141.2 156.5 6.2 6.0 7.6 118 118 A T E - F 0 137A 26 -2,-0.3 19,-0.2 19,-0.3 45,-0.1 -0.998 27.9-150.4-146.4 152.1 5.6 2.4 6.7 119 119 A T + 0 0 96 17,-2.1 18,-0.1 -2,-0.3 -1,-0.1 0.317 63.9 117.6-100.6 5.2 4.6 -0.9 8.3 120 120 A H - 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0 0 39 -5,-2.0 2,-0.5 -8,-0.2 -1,-0.2 -0.941 44.7-131.8-112.3 136.4 6.0 20.4 30.3 274 274 A A + 0 0 83 -2,-0.4 -9,-0.0 1,-0.1 -5,-0.0 -0.749 24.9 178.0 -86.3 125.4 7.9 18.3 32.9 275 275 A V > + 0 0 13 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 -0.518 12.3 159.2-130.0 65.8 8.9 15.0 31.6 276 276 A P H > S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.860 74.9 45.4 -60.2 -41.5 10.8 13.2 34.4 277 277 A E H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.910 112.5 49.3 -73.4 -41.8 10.4 9.6 33.1 278 278 A N H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.8 54.8 -60.8 -37.7 11.3 10.4 29.5 279 279 A T H X S+ 0 0 39 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.916 107.9 48.8 -60.4 -41.6 14.3 12.3 30.8 280 280 A R H X S+ 0 0 135 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.898 111.6 48.0 -67.0 -40.9 15.5 9.2 32.8 281 281 A L H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.923 114.2 47.7 -61.6 -44.8 15.0 6.9 29.8 282 282 A F H X S+ 0 0 41 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.966 114.8 43.4 -63.4 -54.4 16.9 9.4 27.6 283 283 A E H X S+ 0 0 113 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.912 112.9 54.3 -60.1 -37.3 19.9 9.9 30.1 284 284 A M H X S+ 0 0 59 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.912 110.3 44.4 -65.8 -42.8 20.0 6.2 30.8 285 285 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.851 111.4 53.7 -69.4 -36.1 20.3 5.2 27.1 286 286 A K H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.900 109.6 49.5 -62.7 -38.6 22.9 8.0 26.6 287 287 A R H < S+ 0 0 165 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 111.2 48.2 -65.0 -45.7 24.9 6.5 29.5 288 288 A K H >< S+ 0 0 47 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.872 109.8 54.3 -61.8 -34.1 24.7 3.0 28.0 289 289 A E H >< S+ 0 0 16 -4,-2.1 3,-1.7 1,-0.3 2,-0.7 0.921 101.9 56.9 -67.1 -46.9 25.8 4.5 24.6 290 290 A S T 3< S+ 0 0 97 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 -0.212 88.2 75.2 -84.8 40.5 28.9 6.1 26.0 291 291 A E T < 0 0 170 -3,-0.9 -1,-0.3 -2,-0.7 -2,-0.2 0.206 360.0 360.0-113.5 0.4 30.2 2.8 27.4 292 292 A Y < 0 0 95 -3,-1.7 -39,-0.1 -4,-0.1 -40,-0.0 -0.579 360.0 360.0-144.5 360.0 31.1 1.9 23.7