==== 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 ELECTRON TRANSPORT 11-JUL-00 1F9M . COMPND 2 MOLECULE: THIOREDOXIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR G.CAPITANI,Z.MARKOVIC-HOUSLEY,G.DELVAL,M.MORRIS, . 224 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.5 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 . 2 0.9 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 . 2 0.9 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 . 26 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 3 1 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 . 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 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 M 0 0 243 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.0 7.0 21.5 9.5 2 11 A E - 0 0 182 2,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.821 360.0-115.9-111.2 150.0 10.4 22.1 11.1 3 12 A A - 0 0 70 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.609 14.4-159.8 -81.5 138.2 11.3 23.3 14.5 4 13 A I > + 0 0 46 -2,-0.3 3,-0.6 2,-0.0 55,-0.2 0.653 61.1 93.8 -91.3 -18.0 13.2 26.6 14.6 5 14 A V T 3 + 0 0 42 1,-0.2 50,-0.1 50,-0.1 53,-0.1 -0.219 64.1 48.1 -76.1 165.4 14.7 26.2 18.1 6 15 A G T 3 S+ 0 0 29 45,-0.6 2,-0.3 51,-0.4 -1,-0.2 0.353 108.7 54.7 87.4 -2.9 18.2 24.8 19.0 7 16 A K S < S- 0 0 90 -3,-0.6 52,-0.6 44,-0.2 2,-0.5 -0.917 87.3 -99.8-149.5 173.9 19.9 27.0 16.4 8 17 A V E -a 59 0A 23 -2,-0.3 2,-0.5 -3,-0.1 52,-0.2 -0.902 33.9-159.4-103.9 124.5 20.3 30.6 15.3 9 18 A T E -a 60 0A 33 50,-2.3 52,-1.7 -2,-0.5 2,-0.3 -0.894 11.5-136.2-107.6 129.3 18.2 31.6 12.4 10 19 A E E -a 61 0A 106 -2,-0.5 2,-0.2 50,-0.2 52,-0.2 -0.644 27.1-174.1 -81.9 138.1 19.1 34.7 10.3 11 20 A V E -a 62 0A 3 50,-3.0 52,-0.6 -2,-0.3 2,-0.2 -0.721 8.6-162.2-123.2 175.7 16.2 36.9 9.4 12 21 A N >> - 0 0 50 -2,-0.2 4,-1.8 50,-0.1 3,-0.6 -0.820 48.5 -70.3-146.4-177.2 15.6 40.0 7.2 13 22 A K T 34 S+ 0 0 78 -2,-0.2 4,-0.3 1,-0.2 55,-0.0 0.770 130.5 41.7 -53.5 -29.9 13.1 42.8 6.7 14 23 A D T 34 S+ 0 0 109 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.728 119.6 39.0 -90.8 -23.9 10.5 40.4 5.3 15 24 A T T <> S+ 0 0 57 -3,-0.6 4,-1.1 2,-0.1 -2,-0.2 0.511 94.3 78.0-107.8 -7.4 10.9 37.4 7.6 16 25 A F H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.3 0.981 95.7 42.8 -67.8 -58.2 11.4 38.8 11.1 17 26 A W H > S+ 0 0 59 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.884 110.2 54.9 -59.0 -44.7 7.8 39.8 12.0 18 27 A P H > S+ 0 0 73 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.918 110.8 47.4 -56.1 -40.1 6.2 36.6 10.7 19 28 A I H < S+ 0 0 41 -4,-1.1 3,-0.4 -3,-0.3 4,-0.3 0.913 111.6 49.8 -66.3 -41.9 8.6 34.5 12.9 20 29 A V H >< S+ 0 0 4 -4,-2.0 3,-1.8 1,-0.2 4,-0.4 0.940 108.6 53.2 -61.4 -48.7 7.9 36.7 16.0 21 30 A K H 3< S+ 0 0 136 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.737 110.8 47.2 -59.5 -25.0 4.2 36.4 15.5 22 31 A A T 3< S+ 0 0 83 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.355 85.9 92.6 -99.5 5.7 4.5 32.5 15.4 23 32 A A X - 0 0 3 -3,-1.8 3,-0.8 -4,-0.3 2,-0.4 0.794 69.7-163.2 -69.0 -28.8 6.7 32.3 18.5 24 33 A G T 3 - 0 0 46 -4,-0.4 64,-0.6 -3,-0.3 -1,-0.2 -0.657 65.6 -25.7 80.3-132.2 3.8 31.9 20.8 25 34 A D T 3 S+ 0 0 112 -2,-0.4 -1,-0.2 62,-0.1 -2,-0.0 0.017 108.1 117.2-105.8 26.7 4.8 32.5 24.4 26 35 A K S < S- 0 0 73 -3,-0.8 62,-0.3 31,-0.0 31,-0.2 -0.789 72.9-117.3 -90.3 134.1 8.3 31.7 23.6 27 36 A P - 0 0 6 0, 0.0 31,-2.4 0, 0.0 2,-0.4 -0.494 26.6-143.0 -70.7 144.9 10.6 34.7 24.2 28 37 A V E -bC 58 86A 2 58,-2.6 58,-3.0 29,-0.2 2,-0.4 -0.939 10.8-161.5-112.0 131.0 12.4 35.8 21.0 29 38 A V E -bC 59 85A 0 29,-3.2 31,-3.0 -2,-0.4 2,-0.5 -0.932 4.3-164.8-112.6 135.1 16.0 37.1 21.0 30 39 A L E -bC 60 84A 0 54,-2.9 54,-2.5 -2,-0.4 2,-0.7 -0.981 8.8-157.4-125.6 124.3 17.4 39.1 18.1 31 40 A D E -bC 61 83A 7 29,-2.4 31,-2.8 -2,-0.5 2,-0.7 -0.895 11.7-161.6 -99.7 108.9 21.1 39.8 17.6 32 41 A M E +bC 62 82A 0 50,-3.2 50,-1.9 -2,-0.7 2,-0.2 -0.853 28.6 148.6 -94.7 115.2 21.4 43.0 15.4 33 42 A F E -b 63 0A 26 29,-2.2 31,-3.7 -2,-0.7 2,-0.3 -0.741 34.5-140.6-134.8-179.4 24.9 43.1 13.9 34 43 A T > - 0 0 11 -2,-0.2 3,-0.8 29,-0.2 6,-0.1 -0.894 36.5 -89.1-137.8 167.9 26.8 44.3 10.8 35 44 A Q T 3 S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 158,-0.1 -0.386 109.8 27.2 -72.9 160.1 29.6 42.7 8.7 36 45 A W T 3 S+ 0 0 56 1,-0.2 157,-2.5 155,-0.2 2,-0.7 0.700 84.1 148.0 60.6 24.2 33.2 43.5 9.8 37 46 A a <> - 0 0 8 -3,-0.8 4,-2.2 155,-0.2 5,-0.2 -0.811 35.8-161.6 -96.5 113.6 32.0 44.0 13.4 38 47 A G H > S+ 0 0 28 -2,-0.7 4,-1.7 155,-0.5 -1,-0.2 0.958 90.9 40.5 -56.5 -60.7 34.7 43.0 16.0 39 48 A P H > S+ 0 0 55 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.783 113.5 57.5 -61.1 -27.1 32.4 42.7 19.1 40 49 A a H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.936 106.8 46.7 -68.2 -46.7 29.7 41.0 17.0 41 50 A K H < S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.825 110.3 53.7 -65.1 -33.1 32.1 38.2 15.8 42 51 A A H X S+ 0 0 63 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.912 112.2 44.3 -67.9 -40.4 33.3 37.7 19.4 43 52 A M H X S+ 0 0 8 -4,-1.7 4,-2.2 1,-0.2 3,-0.3 0.765 95.2 81.9 -73.7 -26.7 29.7 37.2 20.6 44 53 A A H X S+ 0 0 38 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.874 91.2 44.6 -48.6 -54.6 28.7 35.0 17.7 45 54 A P H > S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.876 116.1 48.7 -59.6 -39.0 30.1 31.6 19.0 46 55 A K H X S+ 0 0 106 -4,-0.5 4,-1.6 -3,-0.3 -2,-0.2 0.808 107.6 54.8 -69.6 -33.5 28.6 32.3 22.4 47 56 A Y H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.882 106.9 50.8 -67.8 -40.6 25.2 33.2 20.9 48 57 A E H X S+ 0 0 80 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.878 108.5 51.7 -65.7 -39.7 25.0 29.9 19.1 49 58 A K H X S+ 0 0 122 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.876 106.4 54.9 -65.6 -35.9 25.8 28.0 22.3 50 59 A L H X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.893 105.1 53.2 -62.0 -40.3 23.0 29.9 24.0 51 60 A A H < S+ 0 0 0 -4,-1.7 -45,-0.6 1,-0.2 -1,-0.2 0.857 108.1 50.9 -63.3 -35.4 20.6 28.7 21.3 52 61 A E H < S+ 0 0 119 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.830 115.3 41.8 -71.1 -34.0 21.7 25.1 22.0 53 62 A E H < S+ 0 0 99 -4,-1.7 2,-0.9 1,-0.2 -2,-0.2 0.822 110.3 55.7 -84.0 -34.1 21.1 25.5 25.8 54 63 A Y >< + 0 0 35 -4,-2.6 3,-1.4 -5,-0.2 -48,-0.3 -0.684 56.6 166.2-105.8 84.5 17.8 27.4 25.8 55 64 A L T 3 S+ 0 0 106 -2,-0.9 -1,-0.2 1,-0.3 -50,-0.1 0.484 74.2 61.5 -71.9 -6.7 15.4 25.4 23.7 56 65 A D T 3 S+ 0 0 64 -3,-0.1 2,-0.4 -51,-0.1 -1,-0.3 0.241 96.5 72.0-103.0 10.8 12.4 27.4 24.9 57 66 A V S < S- 0 0 1 -3,-1.4 2,-0.5 -6,-0.2 -51,-0.4 -0.972 76.4-135.3-126.4 139.1 13.8 30.6 23.4 58 67 A I E - b 0 28A 5 -31,-2.4 -29,-3.2 -2,-0.4 2,-0.5 -0.845 19.7-156.4 -96.3 126.3 14.0 31.5 19.7 59 68 A F E +ab 8 29A 2 -52,-0.6 -50,-2.3 -2,-0.5 2,-0.3 -0.913 18.1 170.7-109.4 123.8 17.3 33.0 18.7 60 69 A L E -ab 9 30A 0 -31,-3.0 -29,-2.4 -2,-0.5 2,-0.4 -0.830 17.8-155.0-126.0 161.2 17.5 35.2 15.6 61 70 A K E -ab 10 31A 61 -52,-1.7 -50,-3.0 -2,-0.3 2,-0.4 -0.997 3.6-163.1-138.4 145.3 20.1 37.5 13.9 62 71 A L E -ab 11 32A 0 -31,-2.8 -29,-2.2 -2,-0.4 2,-0.8 -0.991 17.5-138.3-130.7 123.3 19.6 40.4 11.6 63 72 A D E - b 0 33A 14 -52,-0.6 2,-2.1 -2,-0.4 5,-0.3 -0.726 18.3-144.4 -81.2 113.1 22.3 41.9 9.4 64 73 A C + 0 0 5 -31,-3.7 84,-0.1 -2,-0.8 2,-0.1 -0.488 51.3 134.1 -81.5 72.0 21.8 45.7 9.8 65 74 A N S S- 0 0 30 -2,-2.1 4,-0.4 -31,-0.1 7,-0.2 -0.329 73.8 -78.0-107.7-171.9 22.8 46.5 6.2 66 75 A Q S > S+ 0 0 91 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.919 126.8 52.0 -59.0 -46.5 21.3 48.7 3.5 67 76 A E T 3 S+ 0 0 86 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.867 115.8 40.0 -59.0 -38.6 18.6 46.2 2.5 68 77 A N T >> S+ 0 0 3 -5,-0.3 4,-2.1 1,-0.2 3,-0.7 0.305 80.9 116.0 -96.6 10.6 17.3 45.8 6.1 69 78 A K H <> S+ 0 0 115 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.856 70.6 54.4 -44.7 -53.8 17.7 49.5 7.0 70 79 A T H 3> S+ 0 0 101 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.859 112.1 43.5 -54.0 -41.2 13.9 50.2 7.6 71 80 A L H <> S+ 0 0 3 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.885 110.8 53.6 -74.9 -40.2 13.6 47.3 10.1 72 81 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.940 113.8 44.2 -58.9 -45.3 16.8 48.1 12.0 73 82 A K H < S+ 0 0 147 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.941 110.9 53.7 -64.1 -47.3 15.5 51.7 12.4 74 83 A E H < S+ 0 0 124 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 111.7 46.0 -55.1 -37.1 12.0 50.6 13.4 75 84 A L H < S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.742 120.4-113.7 -80.0 -21.7 13.6 48.4 16.1 76 85 A G < - 0 0 37 -4,-1.3 2,-0.4 -3,-0.5 -3,-0.2 0.829 41.9-177.3 87.7 94.6 15.8 51.2 17.2 77 86 A I + 0 0 20 1,-0.1 -1,-0.1 -4,-0.1 3,-0.1 -0.961 22.9 156.0-127.0 144.7 19.5 50.7 16.7 78 87 A R S S+ 0 0 202 1,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.550 73.3 6.2-129.8 -44.5 22.4 53.0 17.6 79 88 A V S S- 0 0 30 71,-0.1 -1,-0.5 2,-0.0 18,-0.3 -0.973 85.0 -81.6-144.3 153.1 25.4 50.7 17.8 80 89 A V S S+ 0 0 11 69,-2.1 71,-0.4 -2,-0.3 18,-0.2 -0.847 97.4 37.5-111.1 149.4 26.1 47.0 17.1 81 90 A P S S+ 0 0 1 0, 0.0 16,-2.8 0, 0.0 2,-0.4 0.562 72.7 164.4 -82.3 151.9 25.8 44.4 18.4 82 91 A T E -CD 32 96A 2 -50,-1.9 -50,-3.2 14,-0.2 2,-0.5 -0.993 22.4-151.6-126.9 138.0 22.4 45.2 20.0 83 92 A F E -CD 31 95A 1 12,-3.1 12,-2.3 -2,-0.4 2,-0.4 -0.953 7.4-164.3-112.2 124.1 20.2 42.4 21.4 84 93 A K E -CD 30 94A 10 -54,-2.5 -54,-2.9 -2,-0.5 2,-0.5 -0.869 4.5-156.1-105.2 142.2 16.4 42.8 21.4 85 94 A I E -CD 29 93A 3 8,-2.4 7,-2.9 -2,-0.4 8,-1.2 -0.983 15.7-172.9-118.2 126.7 14.2 40.5 23.6 86 95 A L E +CD 28 91A 0 -58,-3.0 -58,-2.6 -2,-0.5 2,-0.3 -0.857 12.9 175.4-121.5 156.2 10.6 40.2 22.5 87 96 A K E > S+ D 0 90A 53 3,-2.0 3,-1.1 -2,-0.3 -62,-0.1 -0.927 73.7 2.6-158.1 132.6 7.6 38.5 24.0 88 97 A E T 3 S- 0 0 123 -64,-0.6 -67,-0.1 -2,-0.3 -63,-0.1 0.905 132.7 -55.7 53.0 44.6 4.0 38.5 22.8 89 98 A N T 3 S+ 0 0 64 -69,-0.3 2,-0.4 -65,-0.2 -1,-0.3 0.729 116.9 110.2 63.3 25.8 5.1 40.5 19.7 90 99 A S E < S-D 87 0A 65 -3,-1.1 -3,-2.0 -70,-0.1 2,-0.5 -0.985 73.5-118.9-134.7 142.3 6.6 43.2 21.9 91 100 A V E +D 86 0A 69 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.664 37.9 167.3 -74.7 124.1 10.1 44.4 22.6 92 101 A V E + 0 0 85 -7,-2.9 2,-0.3 -2,-0.5 -6,-0.2 0.351 59.6 8.4-120.6 2.5 10.4 43.9 26.4 93 102 A G E -D 85 0A 26 -8,-1.2 -8,-2.4 2,-0.0 2,-0.3 -0.969 55.0-161.5-173.9 162.1 14.1 44.3 26.8 94 103 A E E -D 84 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.984 5.1-162.0-155.5 142.3 17.3 45.3 25.1 95 104 A V E -D 83 0A 11 -12,-2.3 -12,-3.1 -2,-0.3 2,-0.5 -0.995 15.9-153.5-128.6 122.4 21.1 44.9 25.7 96 105 A T E +D 82 0A 52 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.864 57.2 2.0-102.7 126.3 23.5 47.2 23.9 97 106 A G S S- 0 0 17 -16,-2.8 2,-2.3 -2,-0.5 -14,-0.1 -0.220 109.9 -45.7 92.7 174.1 27.0 46.1 23.2 98 107 A A S S+ 0 0 51 -18,-0.2 2,-0.9 1,-0.1 -1,-0.1 -0.447 76.7 148.9 -79.3 68.4 28.7 42.8 23.8 99 108 A K > + 0 0 122 -2,-2.3 4,-2.1 1,-0.2 5,-0.1 -0.747 18.0 176.2-106.8 83.1 27.5 42.5 27.4 100 109 A Y H > S+ 0 0 62 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.884 76.4 48.4 -53.5 -46.8 27.2 38.7 27.8 101 110 A D H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 112.3 47.6 -64.0 -44.5 26.2 38.8 31.5 102 111 A K H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.828 110.0 55.5 -65.6 -32.0 23.5 41.4 31.0 103 112 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.926 106.1 50.1 -66.3 -44.8 22.3 39.3 28.0 104 113 A L H X S+ 0 0 38 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 110.8 49.0 -58.5 -45.7 21.9 36.2 30.1 105 114 A E H X S+ 0 0 112 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.861 108.6 53.8 -62.8 -37.1 19.9 38.1 32.8 106 115 A A H X S+ 0 0 25 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.853 111.0 46.5 -66.8 -34.5 17.6 39.6 30.1 107 116 A I H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.944 110.3 50.4 -72.7 -50.4 16.9 36.1 28.8 108 117 A Q H X S+ 0 0 75 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 110.7 52.6 -52.4 -45.8 16.2 34.5 32.2 109 118 A A H < S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.881 106.9 50.8 -57.8 -44.0 13.8 37.4 32.9 110 119 A A H < S+ 0 0 12 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.864 111.7 49.6 -65.6 -35.1 11.9 36.9 29.7 111 120 A R H < 0 0 82 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.998 360.0 360.0 -66.9 -67.1 11.4 33.2 30.4 112 121 A S < 0 0 151 -4,-2.0 -3,-0.2 0, 0.0 -2,-0.1 0.949 360.0 360.0 -84.0 360.0 10.2 33.2 34.0 113 !* 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 0.0 114 10 B M 0 0 241 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.8 40.6 73.4 -9.6 115 11 B E - 0 0 200 1,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.334 360.0-114.3 -74.2 150.1 39.7 72.8 -6.0 116 12 B A - 0 0 73 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.661 19.5-169.6 -85.9 134.2 42.0 71.5 -3.2 117 13 B I > + 0 0 53 -2,-0.4 3,-0.7 2,-0.0 55,-0.2 0.737 60.5 90.8 -92.5 -27.2 41.2 68.1 -1.7 118 14 B V T 3 + 0 0 44 1,-0.2 50,-0.1 53,-0.1 53,-0.1 -0.167 69.0 48.4 -67.4 163.4 43.7 68.3 1.2 119 15 B G T 3 S+ 0 0 26 45,-0.5 2,-0.3 51,-0.5 -1,-0.2 0.423 108.2 54.1 86.7 0.4 42.8 69.8 4.6 120 16 B K S < S- 0 0 94 -3,-0.7 52,-0.6 44,-0.1 2,-0.5 -0.926 87.3 -97.7-153.2 172.9 39.6 67.8 4.9 121 17 B V E -e 172 0B 21 -2,-0.3 2,-0.5 -3,-0.1 52,-0.2 -0.875 34.5-158.5-101.7 127.9 38.2 64.2 4.8 122 18 B T E -e 173 0B 27 50,-2.1 52,-1.7 -2,-0.5 2,-0.3 -0.918 10.5-137.0-110.3 127.4 36.6 63.2 1.5 123 19 B E E -e 174 0B 106 -2,-0.5 2,-0.2 50,-0.2 52,-0.2 -0.620 27.5-178.3 -80.1 138.7 34.1 60.3 1.3 124 20 B V E -e 175 0B 3 50,-2.5 52,-0.5 -2,-0.3 2,-0.2 -0.758 10.7-160.0-127.4 175.2 34.6 58.0 -1.6 125 21 B N >> - 0 0 52 -2,-0.2 4,-1.7 50,-0.1 3,-0.6 -0.754 50.1 -68.3-141.5-171.5 32.9 54.9 -3.0 126 22 B K T 34 S+ 0 0 73 1,-0.2 4,-0.3 -2,-0.2 55,-0.1 0.738 131.7 40.9 -59.5 -25.0 33.7 52.0 -5.2 127 23 B D T 34 S+ 0 0 109 2,-0.1 -1,-0.2 1,-0.1 54,-0.0 0.655 116.6 43.8 -98.1 -18.2 33.9 54.3 -8.3 128 24 B T T <> S+ 0 0 56 -3,-0.6 4,-1.2 2,-0.1 -2,-0.2 0.626 94.7 76.6-103.3 -14.2 35.7 57.3 -6.9 129 25 B F H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 3,-0.4 0.978 92.8 43.2 -62.1 -63.8 38.5 55.8 -4.8 130 26 B W H > S+ 0 0 62 -4,-0.3 4,-3.2 1,-0.2 5,-0.2 0.845 110.4 55.6 -56.6 -39.1 41.2 54.7 -7.3 131 27 B P H > S+ 0 0 76 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.906 109.9 47.2 -61.8 -37.6 41.0 57.8 -9.5 132 28 B I H < S+ 0 0 37 -4,-1.2 4,-0.3 -3,-0.4 3,-0.3 0.927 112.9 49.7 -67.4 -41.0 41.7 59.9 -6.4 133 29 B V H >< S+ 0 0 4 -4,-2.2 3,-1.4 1,-0.2 69,-0.3 0.927 110.3 50.2 -62.0 -45.1 44.5 57.5 -5.5 134 30 B K H 3< S+ 0 0 142 -4,-3.2 3,-0.4 1,-0.3 -1,-0.2 0.745 110.4 50.2 -67.1 -22.2 46.0 57.7 -9.0 135 31 B A T 3< S+ 0 0 82 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.398 86.1 90.0 -95.7 4.0 45.9 61.6 -9.0 136 32 B A X - 0 0 3 -3,-1.4 3,-1.8 -4,-0.3 2,-0.3 0.633 68.2-164.6 -76.5 -13.8 47.7 61.8 -5.6 137 33 B G T 3 - 0 0 51 -3,-0.4 64,-0.6 1,-0.2 -1,-0.2 -0.498 68.4 -21.1 66.6-125.0 51.2 62.0 -7.0 138 34 B D T 3 S+ 0 0 110 -2,-0.3 -1,-0.2 62,-0.1 -2,-0.1 0.251 106.8 113.5-103.4 11.6 53.6 61.3 -4.2 139 35 B K S < S- 0 0 66 -3,-1.8 62,-0.3 1,-0.1 31,-0.2 -0.663 71.8-117.3 -84.6 132.8 51.3 62.2 -1.3 140 36 B P - 0 0 7 0, 0.0 31,-2.3 0, 0.0 2,-0.4 -0.398 25.6-144.7 -64.8 153.4 50.3 59.3 0.9 141 37 B V E -fG 171 199B 1 58,-2.6 58,-2.5 29,-0.2 2,-0.4 -0.983 8.5-158.1-121.8 127.2 46.6 58.6 0.9 142 38 B V E -fG 172 198B 0 29,-3.3 31,-2.9 -2,-0.4 2,-0.5 -0.906 4.9-161.5-107.8 134.8 44.9 57.4 4.1 143 39 B L E -fG 173 197B 0 54,-2.9 54,-2.0 -2,-0.4 2,-0.8 -0.959 7.1-156.2-121.3 119.3 41.6 55.5 3.9 144 40 B D E -fG 174 196B 8 29,-2.4 31,-2.9 -2,-0.5 2,-0.6 -0.829 12.4-162.8 -92.8 110.6 39.3 55.2 6.9 145 41 B M E +fG 175 195B 0 50,-3.1 50,-1.8 -2,-0.8 2,-0.2 -0.861 27.1 147.7 -97.6 119.4 37.1 52.0 6.3 146 42 B F E -f 176 0B 27 29,-2.2 31,-3.5 -2,-0.6 2,-0.3 -0.770 32.5-143.2-137.7 179.7 34.0 52.1 8.6 147 43 B T > - 0 0 11 -2,-0.2 3,-0.7 29,-0.2 31,-0.1 -0.888 35.3 -86.1-140.2 172.4 30.4 51.0 8.7 148 44 B Q T 3 S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 -68,-0.1 -0.373 110.5 27.0 -74.0 159.7 27.2 52.4 10.0 149 45 B W T 3 S+ 0 0 49 1,-0.2 -69,-2.1 -71,-0.1 2,-0.7 0.710 85.5 147.9 60.9 23.1 26.4 51.6 13.7 150 46 B b <> - 0 0 8 -3,-0.7 4,-2.3 -71,-0.2 5,-0.2 -0.803 35.4-163.5-100.4 111.5 30.1 51.3 14.6 151 47 B G H > S+ 0 0 29 -2,-0.7 4,-1.7 -71,-0.4 -1,-0.2 0.939 90.2 40.5 -53.5 -62.1 31.1 52.3 18.1 152 48 B P H > S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.832 113.0 58.5 -59.5 -32.9 34.9 52.6 17.6 153 49 B b H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.932 106.2 46.9 -61.8 -48.2 34.4 54.2 14.2 154 50 B K H < S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.866 110.6 53.4 -63.9 -34.2 32.3 57.0 15.7 155 51 B A H < S+ 0 0 57 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.898 113.0 43.4 -66.8 -40.0 34.9 57.5 18.4 156 52 B M H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 3,-0.2 0.728 93.7 82.8 -76.6 -26.0 37.7 57.9 15.9 157 53 B A H X S+ 0 0 38 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.885 91.9 44.7 -48.7 -54.6 35.7 60.2 13.4 158 54 B P H > S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.884 114.8 50.4 -58.2 -39.9 36.4 63.5 15.2 159 55 B K H > S+ 0 0 101 -4,-0.5 4,-1.4 -3,-0.2 -2,-0.2 0.824 107.5 53.6 -65.8 -37.0 40.1 62.6 15.7 160 56 B Y H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.849 106.2 52.5 -68.8 -37.5 40.4 61.7 12.0 161 57 B E H X S+ 0 0 76 -4,-1.8 4,-1.4 -5,-0.2 3,-0.3 0.937 107.8 51.7 -63.3 -47.6 39.1 65.1 10.9 162 58 B K H X S+ 0 0 113 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.832 106.6 54.4 -58.5 -35.5 41.6 66.9 13.1 163 59 B L H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.868 104.4 54.1 -67.4 -36.9 44.4 64.9 11.5 164 60 B A H < S+ 0 0 0 -4,-1.5 -45,-0.5 -3,-0.3 -1,-0.2 0.823 107.4 52.5 -65.5 -32.5 43.3 66.0 8.0 165 61 B E H < S+ 0 0 113 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 113.7 41.1 -72.7 -35.1 43.6 69.6 9.2 166 62 B E H < S+ 0 0 96 -4,-1.5 2,-0.6 1,-0.2 -2,-0.2 0.682 110.0 55.9 -90.5 -17.6 47.1 69.3 10.5 167 63 B Y >< + 0 0 36 -4,-1.7 3,-1.1 1,-0.1 -48,-0.3 -0.762 56.5 168.4-118.0 86.9 48.7 67.2 7.8 168 64 B L T 3 S+ 0 0 104 -2,-0.6 -1,-0.1 1,-0.3 -50,-0.1 0.651 72.4 64.4 -70.0 -17.7 48.2 69.0 4.5 169 65 B D T 3 S+ 0 0 70 -3,-0.1 2,-0.4 -51,-0.1 -1,-0.3 0.158 95.2 68.2 -93.9 18.5 50.6 66.8 2.6 170 66 B V S < S- 0 0 1 -3,-1.1 2,-0.5 -31,-0.2 -51,-0.5 -0.993 77.9-131.9-136.2 139.4 48.5 63.7 3.1 171 67 B I E - f 0 141B 6 -31,-2.3 -29,-3.3 -2,-0.4 2,-0.6 -0.819 19.9-156.8 -93.9 126.3 45.0 63.0 1.5 172 68 B F E +ef 121 142B 2 -52,-0.6 -50,-2.1 -2,-0.5 2,-0.2 -0.920 19.8 167.6-109.9 121.9 42.5 61.7 4.1 173 69 B L E -ef 122 143B 0 -31,-2.9 -29,-2.4 -2,-0.6 2,-0.3 -0.759 19.0-151.9-124.6 168.2 39.5 59.7 2.7 174 70 B K E -ef 123 144B 61 -52,-1.7 -50,-2.5 -2,-0.2 2,-0.4 -0.997 2.5-161.1-144.7 147.2 36.8 57.5 4.2 175 71 B L E -ef 124 145B 0 -31,-2.9 -29,-2.2 -2,-0.3 2,-0.9 -0.982 16.6-140.4-133.1 121.5 34.8 54.6 2.8 176 72 B D E - f 0 146B 16 -52,-0.5 2,-2.2 -2,-0.4 5,-0.3 -0.723 20.5-145.3 -80.3 110.5 31.4 53.3 4.1 177 73 B C + 0 0 6 -31,-3.5 -142,-0.1 -2,-0.9 2,-0.1 -0.465 49.6 136.8 -79.5 70.7 31.9 49.5 3.8 178 74 B N S S- 0 0 33 -2,-2.2 4,-0.3 -31,-0.1 7,-0.2 -0.230 73.1 -80.8-103.4-168.9 28.3 48.7 2.9 179 75 B Q S > S+ 0 0 85 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.903 127.5 53.2 -65.8 -39.7 26.6 46.5 0.4 180 76 B E T 3 S+ 0 0 82 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.852 116.1 38.6 -61.0 -38.4 27.1 49.0 -2.5 181 77 B N T >> S+ 0 0 5 -5,-0.3 4,-2.3 1,-0.2 3,-0.5 0.241 81.8 115.5 -98.6 10.8 30.9 49.3 -1.8 182 78 B K H <> S+ 0 0 126 -3,-1.0 4,-2.6 -4,-0.3 5,-0.3 0.879 71.6 54.9 -48.0 -50.4 31.4 45.6 -1.0 183 79 B T H 3> S+ 0 0 93 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.909 111.8 43.7 -55.2 -43.3 33.7 44.9 -4.0 184 80 B L H <> S+ 0 0 4 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.889 111.8 52.5 -69.8 -40.8 36.1 47.7 -3.0 185 81 B A H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 -2,-0.2 0.916 114.2 44.0 -59.8 -44.2 36.1 46.8 0.7 186 82 B K H ><5S+ 0 0 161 -4,-2.6 3,-2.1 -5,-0.2 -2,-0.2 0.898 108.4 56.5 -69.7 -40.8 37.0 43.2 -0.2 187 83 B E H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.907 110.5 46.6 -56.5 -39.5 39.6 44.3 -2.8 188 84 B L T 3<5S- 0 0 10 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.272 119.5-115.1 -86.8 10.6 41.3 46.2 0.1 189 85 B G T < 5 - 0 0 46 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.844 39.6-169.2 62.5 44.5 41.0 43.2 2.4 190 86 B I < + 0 0 15 -5,-2.1 -1,-0.1 1,-0.2 3,-0.1 -0.310 21.7 157.7 -66.4 145.2 38.6 44.4 5.1 191 87 B R - 0 0 175 1,-0.5 2,-0.3 -155,-0.1 -155,-0.2 0.564 67.2 -1.6-132.6 -49.6 38.2 42.2 8.2 192 88 B V S S- 0 0 23 -155,-0.0 -1,-0.5 -157,-0.0 18,-0.3 -0.983 85.7 -83.3-146.5 149.5 37.0 44.4 11.1 193 89 B V S S+ 0 0 9 -157,-2.5 -155,-0.5 -2,-0.3 18,-0.2 -0.815 97.1 42.0-108.6 150.5 36.2 48.2 11.3 194 90 B P S S+ 0 0 2 0, 0.0 16,-2.7 0, 0.0 2,-0.4 0.550 73.5 161.7 -81.3 149.5 37.6 50.7 11.7 195 91 B T E -GH 145 209B 3 -50,-1.8 -50,-3.1 14,-0.2 2,-0.5 -0.991 25.3-150.0-129.5 140.5 40.6 49.9 9.5 196 92 B F E -GH 144 208B 0 12,-3.1 12,-2.5 -2,-0.4 2,-0.4 -0.960 8.9-165.4-115.5 121.3 43.1 52.4 8.1 197 93 B K E -GH 143 207B 14 -54,-2.0 -54,-2.9 -2,-0.5 2,-0.5 -0.863 4.1-158.1-102.8 138.8 44.8 51.8 4.8 198 94 B I E -GH 142 206B 2 8,-2.2 7,-2.1 -2,-0.4 8,-1.8 -0.979 14.2-179.0-119.0 130.5 47.8 53.8 3.8 199 95 B L E +GH 141 204B 0 -58,-2.5 -58,-2.6 -2,-0.5 2,-0.3 -0.908 9.4 180.0-127.5 155.2 48.7 54.0 0.1 200 96 B K E > S+ H 0 203B 54 3,-2.4 3,-1.1 -2,-0.3 -62,-0.1 -0.920 71.6 0.1-158.0 129.9 51.5 55.8 -1.7 201 97 B E T 3 S- 0 0 124 -64,-0.6 -63,-0.1 -62,-0.3 -67,-0.1 0.896 130.1 -55.6 56.0 45.1 52.2 55.9 -5.5 202 98 B N T 3 S+ 0 0 85 -69,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.607 117.1 107.5 66.2 16.2 49.2 53.6 -6.2 203 99 B S E < S-H 200 0B 67 -3,-1.1 -3,-2.4 -70,-0.1 2,-0.6 -0.953 74.0-120.4-126.1 144.5 50.4 50.9 -3.9 204 100 B V E +H 199 0B 73 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.732 37.7 167.6 -80.4 120.8 49.1 49.8 -0.5 205 101 B V E - 0 0 90 -7,-2.1 2,-0.3 -2,-0.6 -6,-0.2 0.592 54.8 -1.1-110.8 -16.8 52.1 50.3 1.8 206 102 B G E -H 198 0B 26 -8,-1.8 -8,-2.2 2,-0.0 2,-0.3 -0.982 50.7-160.7-163.7 174.8 50.5 49.9 5.2 207 103 B E E -H 197 0B 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.968 9.5-157.1-166.2 149.0 47.6 49.4 7.5 208 104 B V E -H 196 0B 9 -12,-2.5 -12,-3.1 -2,-0.3 2,-0.5 -0.995 17.3-153.9-131.0 121.8 46.3 49.8 11.0 209 105 B T E +H 195 0B 37 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.854 58.9 8.1-101.4 128.9 43.4 47.6 12.1 210 106 B G S S- 0 0 19 -16,-2.7 2,-2.6 -2,-0.5 -14,-0.1 -0.082 107.5 -50.7 93.5 166.5 41.2 48.9 14.9 211 107 B A S S+ 0 0 50 -18,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.424 76.4 148.2 -76.0 68.7 40.8 52.2 16.6 212 108 B K > + 0 0 122 -2,-2.6 4,-2.3 1,-0.2 5,-0.2 -0.782 20.5 178.7-107.0 85.5 44.6 52.4 17.4 213 109 B Y H > S+ 0 0 74 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.901 78.0 50.1 -55.7 -47.3 45.3 56.2 17.3 214 110 B D H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.919 112.4 46.7 -58.9 -46.3 49.0 55.9 18.2 215 111 B K H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 112.3 51.6 -63.9 -38.2 49.7 53.3 15.5 216 112 B L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.958 112.4 44.1 -63.1 -52.4 47.7 55.4 13.0 217 113 B L H X S+ 0 0 39 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.945 114.4 50.9 -56.1 -50.2 49.7 58.5 13.7 218 114 B E H X S+ 0 0 124 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.874 110.3 49.6 -54.7 -42.8 52.9 56.5 13.7 219 115 B A H X S+ 0 0 24 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.847 108.4 52.5 -68.9 -34.9 51.9 55.0 10.3 220 116 B I H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.935 110.0 47.8 -67.4 -44.0 51.2 58.4 8.8 221 117 B Q H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.912 109.9 54.2 -61.6 -40.8 54.6 59.8 9.8 222 118 B A H < S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 108.9 47.3 -59.5 -42.1 56.2 56.6 8.4 223 119 B A H < S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.0 53.6 -68.8 -31.7 54.5 57.2 5.0 224 120 B R H < 0 0 96 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.940 360.0 360.0 -68.5 -50.2 55.6 60.9 5.0 225 121 B S < 0 0 151 -4,-2.1 0, 0.0 0, 0.0 0, 0.0 -0.431 360.0 360.0 -78.6 360.0 59.3 60.5 5.5