==== 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 BIOSYNTHETIC PROTEIN 01-OCT-04 1XM3 . COMPND 2 MOLECULE: THIAZOLE BIOSYNTHESIS PROTEIN THIG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.KUZIN,M.ABASHIDZE,S.VOROBIEV,F.FOROUHAR,T.ACTON,L.MA, . 993 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 0.4 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 . 3 0.3 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 . 60 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 4 0 0 0 2 4 6 4 0 8 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 4 16 0 4 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 0 4 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 . 8 0 0 0 0 3 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 2 A S 0 0 136 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.4 4.9 59.0 61.9 2 3 A X - 0 0 78 1,-0.2 9,-0.1 7,-0.0 10,-0.1 -0.210 360.0 -85.3 -54.4 140.1 6.8 56.1 63.6 3 4 A L E -A 10 0A 5 7,-0.5 7,-2.5 192,-0.1 2,-0.4 -0.306 57.4-176.5 -52.5 120.6 7.2 53.1 61.3 4 5 A T E +A 9 0A 58 5,-0.2 2,-0.4 -3,-0.1 5,-0.3 -0.985 11.7 177.8-129.5 123.3 3.9 51.1 61.7 5 6 A I E > S-A 8 0A 4 3,-2.8 3,-2.0 -2,-0.4 138,-0.1 -0.986 73.6 -13.5-128.0 124.2 3.1 47.8 60.1 6 7 A G T 3 S- 0 0 45 -2,-0.4 -1,-0.1 136,-0.4 3,-0.1 0.803 129.7 -52.4 58.6 30.0 -0.1 45.9 60.6 7 8 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.273 116.2 112.2 91.3 -12.2 -0.9 48.1 63.6 8 9 A K E < -A 5 0A 122 -3,-2.0 -3,-2.8 2,-0.0 -1,-0.3 -0.797 55.5-146.3 -98.7 137.1 2.4 47.6 65.3 9 10 A S E -A 4 0A 45 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.2 -0.719 7.8-159.2-102.4 153.6 4.9 50.4 65.7 10 11 A F E -A 3 0A 7 -7,-2.5 -7,-0.5 -2,-0.3 26,-0.0 -0.997 17.0-152.1-134.5 134.3 8.7 50.2 65.6 11 12 A Q S S+ 0 0 155 -2,-0.4 2,-0.4 -9,-0.1 -1,-0.1 0.824 85.7 62.2 -71.6 -33.2 11.3 52.6 67.0 12 13 A S - 0 0 18 1,-0.1 25,-0.3 23,-0.1 26,-0.1 -0.832 60.1-165.2-100.9 131.8 14.0 51.5 64.4 13 14 A R + 0 0 33 -2,-0.4 184,-2.2 204,-0.1 2,-0.6 0.307 67.0 96.9 -93.1 7.5 13.4 51.9 60.7 14 15 A L E -b 197 0B 3 182,-0.2 2,-0.5 20,-0.1 24,-0.5 -0.880 58.7-162.4-102.9 113.7 16.3 49.6 60.0 15 16 A L E -bc 198 38B 1 182,-3.0 184,-2.8 -2,-0.6 2,-0.4 -0.851 15.0-153.9 -94.9 125.5 15.2 45.9 59.3 16 17 A L E -bc 199 39B 1 22,-2.0 24,-2.3 -2,-0.5 184,-0.2 -0.872 4.9-142.7-111.1 132.6 18.2 43.6 59.6 17 18 A G E - c 0 40B 4 182,-2.6 2,-0.3 -2,-0.4 24,-0.2 -0.482 17.1-164.3 -84.6 157.7 18.8 40.2 58.0 18 19 A T + 0 0 9 22,-1.6 24,-0.5 -2,-0.1 183,-0.1 -0.950 51.8 64.6-139.0 156.8 20.5 37.3 59.8 19 20 A G S S+ 0 0 53 -2,-0.3 -1,-0.1 22,-0.1 22,-0.1 0.045 85.3 69.1 122.9 -30.5 22.1 34.1 58.8 20 21 A K + 0 0 95 3,-0.0 -2,-0.0 7,-0.0 180,-0.0 0.075 66.4 123.9-111.0 24.5 25.2 34.9 56.7 21 22 A Y S S- 0 0 22 1,-0.1 3,-0.1 184,-0.0 184,-0.1 -0.444 72.7-114.9 -80.0 157.1 27.4 36.4 59.4 22 23 A P S S- 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.812 93.5 -5.0 -61.5 -30.6 30.9 35.0 60.0 23 24 A S > - 0 0 45 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.985 67.4-111.1-158.9 161.7 29.8 33.8 63.5 24 25 A F H > S+ 0 0 92 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.846 116.6 56.0 -66.6 -33.9 27.0 34.0 65.9 25 26 A D H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 110.7 43.3 -63.2 -48.1 29.0 36.2 68.3 26 27 A I H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.913 114.0 52.4 -63.4 -41.8 29.5 38.7 65.5 27 28 A Q H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.934 109.6 47.4 -59.8 -48.7 25.9 38.4 64.4 28 29 A K H X S+ 0 0 105 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.888 113.6 48.9 -60.8 -39.9 24.5 39.0 68.0 29 30 A E H X S+ 0 0 105 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.917 112.2 48.3 -65.6 -44.2 26.9 42.0 68.3 30 31 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.932 110.0 51.2 -62.2 -47.8 25.8 43.4 65.0 31 32 A V H X>S+ 0 0 1 -4,-2.9 4,-1.0 1,-0.2 5,-0.7 0.919 112.6 48.1 -55.8 -44.2 22.1 43.0 65.7 32 33 A A H ><5S+ 0 0 51 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.959 112.5 44.6 -62.9 -54.8 22.6 44.8 69.0 33 34 A V H 3<5S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.672 108.5 59.8 -66.4 -16.4 24.5 47.8 67.7 34 35 A S H 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.762 91.5-149.8 -80.3 -26.0 22.1 48.1 64.8 35 36 A E T <<5 + 0 0 114 -3,-1.0 -3,-0.1 -4,-1.0 -21,-0.1 0.672 34.8 165.3 63.2 19.2 19.2 48.6 67.3 36 37 A S < - 0 0 3 -5,-0.7 -1,-0.2 1,-0.1 -21,-0.1 -0.334 30.3-164.9 -65.5 146.8 16.9 47.0 64.7 37 38 A D S S+ 0 0 48 -23,-0.5 23,-2.6 -25,-0.3 2,-0.5 0.606 75.1 59.4-105.1 -19.3 13.5 45.9 66.0 38 39 A I E -cd 15 60B 2 -24,-0.5 -22,-2.0 21,-0.2 2,-0.5 -0.953 65.9-168.0-116.9 121.1 12.7 43.7 63.1 39 40 A L E -cd 16 61B 2 21,-2.1 23,-3.1 -2,-0.5 2,-0.3 -0.914 5.5-164.4-110.0 132.0 14.9 40.7 62.1 40 41 A T E +cd 17 62B 3 -24,-2.3 -22,-1.6 -2,-0.5 2,-0.3 -0.839 12.4 166.8-115.5 153.1 14.5 38.9 58.8 41 42 A F E - d 0 63B 8 21,-1.0 23,-2.8 -2,-0.3 2,-1.0 -0.989 42.8 -99.3-162.2 153.1 15.8 35.5 57.7 42 43 A A E > - d 0 64B 11 -24,-0.5 3,-0.7 -2,-0.3 23,-0.1 -0.658 30.0-159.5 -81.4 104.0 15.5 32.8 55.1 43 44 A V T 3 S+ 0 0 1 21,-1.4 3,-0.3 -2,-1.0 6,-0.2 0.884 86.0 59.8 -46.3 -53.6 13.3 30.2 56.6 44 45 A R T 3 S+ 0 0 88 22,-0.4 2,-1.9 20,-0.4 -1,-0.2 0.861 95.3 64.6 -45.6 -46.8 14.4 27.4 54.3 45 46 A R S < S+ 0 0 143 -3,-0.7 2,-0.3 21,-0.1 -1,-0.3 -0.348 89.7 89.7 -81.4 58.9 18.1 27.7 55.4 46 47 A X S > S- 0 0 44 -2,-1.9 3,-2.3 -3,-0.3 -3,-0.0 -0.992 85.3-108.3-151.9 154.0 17.4 26.6 59.0 47 48 A N T 3 S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.847 112.7 66.1 -48.2 -45.2 17.4 23.4 61.1 48 49 A I T 3 0 0 56 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.696 360.0 360.0 -53.6 -19.2 13.6 23.5 61.5 49 50 A F < 0 0 100 -3,-2.3 -1,-0.2 -6,-0.2 -2,-0.2 0.823 360.0 360.0 -93.5 360.0 13.5 22.9 57.7 50 ! 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 51 58 A L > 0 0 29 0, 0.0 3,-0.7 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 -2.9 20.1 32.6 64.6 52 59 A E T 3 + 0 0 135 1,-0.2 3,-0.1 3,-0.0 -24,-0.1 -0.024 360.0 41.2 -61.9 168.5 21.0 31.1 68.0 53 60 A Q T 3 S+ 0 0 101 1,-0.2 2,-0.4 -25,-0.0 -1,-0.2 0.532 89.1 117.0 68.6 8.9 22.1 33.1 71.0 54 61 A L < - 0 0 16 -3,-0.7 2,-1.4 -23,-0.0 -1,-0.2 -0.913 66.7-134.8-112.4 133.2 19.4 35.7 70.3 55 62 A D > - 0 0 86 -2,-0.4 3,-2.5 1,-0.2 4,-0.2 -0.684 19.2-168.5 -84.4 90.0 16.5 36.5 72.6 56 63 A L G > S+ 0 0 63 -2,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.629 76.7 78.8 -55.6 -14.4 13.7 36.5 70.0 57 64 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.681 89.4 55.2 -69.1 -16.9 11.4 38.0 72.6 58 65 A K G < S+ 0 0 142 -3,-2.5 2,-0.3 2,-0.0 -1,-0.3 0.381 108.6 54.6 -95.9 3.0 13.1 41.4 72.0 59 66 A Y S < S- 0 0 48 -3,-1.4 2,-0.5 -4,-0.2 -21,-0.2 -0.896 74.4-123.0-136.9 164.4 12.4 41.4 68.3 60 67 A T E -d 38 0B 28 -23,-2.6 -21,-2.1 -2,-0.3 2,-0.5 -0.924 36.6-134.1-104.3 127.0 9.6 41.0 65.7 61 68 A L E -d 39 0B 12 -2,-0.5 27,-2.0 -23,-0.2 28,-1.6 -0.738 22.4-176.7 -92.3 128.3 10.4 38.2 63.3 62 69 A L E -d 40 0B 0 -23,-3.1 -21,-1.0 -2,-0.5 28,-0.2 -0.729 12.2-171.3-118.9 77.0 10.1 38.7 59.5 63 70 A P E -d 41 0B 0 0, 0.0 28,-2.7 0, 0.0 2,-0.3 -0.419 11.4-148.4 -67.2 147.1 10.9 35.3 58.0 64 71 A N E -de 42 91B 14 -23,-2.8 -21,-1.4 26,-0.2 -20,-0.4 -0.783 17.8-126.5-116.1 164.0 11.2 35.4 54.2 65 72 A T > + 0 0 0 26,-1.5 3,-2.1 -2,-0.3 -23,-0.1 -0.091 44.4 163.1 -99.1 35.3 10.4 32.8 51.5 66 73 A A T 3 + 0 0 7 1,-0.3 -22,-0.4 -25,-0.1 -21,-0.1 -0.272 63.7 39.1 -54.8 133.2 13.8 32.9 49.8 67 74 A G T 3 S+ 0 0 46 1,-0.4 -1,-0.3 -23,-0.1 2,-0.2 0.080 84.2 127.6 111.1 -22.1 14.2 29.8 47.6 68 75 A A < + 0 0 2 -3,-2.1 27,-0.8 25,-0.5 -1,-0.4 -0.475 32.5 179.1 -71.4 137.2 10.6 29.8 46.4 69 76 A S S S+ 0 0 73 -2,-0.2 2,-0.3 25,-0.2 -1,-0.1 0.609 70.3 30.9-108.4 -24.2 10.1 29.7 42.6 70 77 A T S > S- 0 0 51 1,-0.1 4,-1.8 37,-0.1 3,-0.2 -0.859 86.4-107.1-130.4 166.1 6.3 29.7 42.6 71 78 A A H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.908 118.7 58.4 -58.9 -41.3 3.6 31.1 44.9 72 79 A E H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 105.1 47.7 -57.6 -42.8 2.9 27.6 46.1 73 80 A E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 111.6 51.7 -66.5 -37.0 6.4 27.1 47.4 74 81 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.909 109.9 48.5 -65.4 -41.3 6.3 30.5 49.1 75 82 A V H X S+ 0 0 9 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.890 109.7 53.2 -65.3 -39.4 3.0 29.6 50.8 76 83 A R H X S+ 0 0 132 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.933 111.8 45.2 -60.7 -46.8 4.5 26.2 52.0 77 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 113.3 49.9 -63.4 -44.6 7.5 28.0 53.5 78 85 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 109.2 50.9 -62.1 -44.8 5.3 30.7 55.1 79 86 A R H X S+ 0 0 129 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.887 111.3 49.2 -60.9 -38.2 3.0 28.1 56.7 80 87 A L H X S+ 0 0 60 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.913 108.8 52.0 -67.9 -42.5 6.0 26.2 58.1 81 88 A A H <>S+ 0 0 1 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.922 112.6 46.0 -58.4 -45.3 7.5 29.4 59.5 82 89 A K H ><5S+ 0 0 105 -4,-2.3 3,-1.6 1,-0.2 5,-0.3 0.932 112.1 49.5 -63.8 -48.6 4.2 30.1 61.3 83 90 A A H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.3 55.5 -62.3 -28.4 3.7 26.6 62.6 84 91 A S T 3<5S- 0 0 50 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.491 115.4-115.9 -83.7 -3.6 7.3 26.7 63.9 85 92 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.806 86.2 111.0 74.5 29.9 6.6 29.8 65.9 86 93 A L < + 0 0 25 -5,-2.5 2,-0.3 -6,-0.2 -4,-0.2 -0.195 52.6 88.1-126.6 41.7 9.0 32.0 64.0 87 94 A C + 0 0 27 -5,-0.3 -25,-0.2 -6,-0.1 3,-0.1 -0.842 21.5 150.1-148.9 108.6 6.7 34.3 62.1 88 95 A D S S+ 0 0 85 -27,-2.0 2,-0.3 1,-0.5 -26,-0.2 0.671 90.3 1.6 -99.6 -29.1 5.2 37.6 63.3 89 96 A X S S- 0 0 8 -28,-1.6 -1,-0.5 31,-0.1 2,-0.5 -0.972 76.8-127.2-153.2 151.8 5.0 38.9 59.7 90 97 A I E - f 0 122B 0 31,-2.8 33,-2.6 -2,-0.3 2,-0.8 -0.912 5.3-150.9-114.6 131.5 5.9 37.2 56.4 91 98 A K E -ef 64 123B 3 -28,-2.7 -26,-1.5 -2,-0.5 2,-0.7 -0.871 20.3-144.3 -96.5 110.7 8.2 38.6 53.7 92 99 A V E + f 0 124B 0 31,-1.5 33,-3.0 -2,-0.8 2,-0.4 -0.680 27.1 170.5 -81.0 115.9 7.0 37.3 50.4 93 100 A E + 0 0 19 -2,-0.7 2,-0.5 31,-0.2 -25,-0.5 -0.951 10.1 167.8-132.3 111.8 10.0 36.6 48.1 94 101 A V - 0 0 0 -2,-0.4 10,-3.0 31,-0.3 2,-0.3 -0.852 21.4-155.0-127.1 94.5 9.6 34.7 44.9 95 102 A I B -H 103 0C 30 -27,-0.8 7,-0.1 -2,-0.5 3,-0.1 -0.519 13.7-178.9 -71.5 127.8 12.7 35.0 42.7 96 103 A G + 0 0 11 6,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.313 64.1 54.0-111.7 8.4 12.0 34.5 39.0 97 104 A C > - 0 0 15 5,-0.5 4,-2.1 1,-0.1 -1,-0.2 -0.912 56.6-161.3-146.3 115.6 15.5 34.9 37.5 98 105 A S T 4 S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.721 94.1 48.2 -67.8 -20.7 18.6 32.8 38.6 99 106 A R T 4 S+ 0 0 91 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.936 128.1 18.2 -84.4 -54.0 20.9 35.4 37.0 100 107 A S T 4 S- 0 0 0 2,-0.1 51,-0.3 819,-0.0 -2,-0.2 0.692 88.8-140.1 -90.9 -22.2 19.6 38.7 38.3 101 108 A L < + 0 0 50 -4,-2.1 50,-0.2 1,-0.2 -3,-0.1 0.663 45.8 157.0 68.9 16.9 17.6 37.3 41.2 102 109 A L - 0 0 13 -5,-0.1 -6,-2.3 -7,-0.1 -5,-0.5 -0.435 45.2 -92.8 -73.7 150.0 14.8 39.8 40.5 103 110 A P B -H 95 0C 2 0, 0.0 782,-0.4 0, 0.0 -8,-0.2 -0.236 23.8-123.5 -67.4 147.5 11.3 39.0 41.7 104 111 A D > - 0 0 6 -10,-3.0 4,-2.2 1,-0.2 5,-0.2 -0.816 20.8-160.8 -90.3 112.4 8.5 37.3 39.7 105 112 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.850 86.4 50.9 -63.3 -39.3 5.5 39.7 39.7 106 113 A V H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.947 115.7 40.8 -66.0 -48.3 2.9 37.2 38.8 107 114 A E H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.838 114.2 52.8 -68.6 -34.6 3.9 34.7 41.5 108 115 A T H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.919 110.8 47.4 -67.2 -41.8 4.5 37.5 44.1 109 116 A L H X S+ 0 0 31 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.928 115.1 47.2 -62.3 -45.3 1.0 38.9 43.4 110 117 A K H X S+ 0 0 99 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 114.1 44.5 -64.5 -47.2 -0.4 35.3 43.7 111 118 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.892 111.3 54.3 -66.5 -39.9 1.4 34.4 46.9 112 119 A S H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.916 109.3 47.5 -61.0 -44.3 0.6 37.8 48.6 113 120 A E H X S+ 0 0 120 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 113.6 47.8 -63.5 -44.3 -3.1 37.4 47.9 114 121 A Q H X S+ 0 0 69 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.918 111.7 48.6 -65.2 -43.4 -3.2 33.8 49.3 115 122 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 -1,-0.2 0.798 109.6 53.0 -68.8 -27.3 -1.2 34.6 52.4 116 123 A L H ><5S+ 0 0 38 -4,-1.6 3,-1.5 -5,-0.2 -1,-0.2 0.897 107.3 51.8 -71.9 -39.0 -3.5 37.6 53.1 117 124 A E H 3<5S+ 0 0 148 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.799 107.0 54.9 -65.5 -28.9 -6.5 35.3 52.9 118 125 A E T 3<5S- 0 0 54 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.390 123.4-103.6 -86.6 2.7 -4.8 33.0 55.4 119 126 A G T < 5 + 0 0 56 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.583 69.6 143.7 90.7 10.2 -4.4 35.8 57.9 120 127 A F < - 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0 0 26 -4,-1.3 4,-0.1 -3,-0.3 -36,-0.0 -0.180 41.7-173.7 -59.6 145.0 47.1 62.9 48.9 423 178 B K S S+ 0 0 198 2,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.314 78.7 46.1-115.1 -2.3 49.8 63.2 51.6 424 179 B V S S- 0 0 41 1,-0.1 -29,-0.2 -173,-0.0 -173,-0.1 -0.865 108.2 -68.9-131.2 165.5 47.7 65.7 53.6 425 180 B P - 0 0 18 0, 0.0 -29,-2.3 0, 0.0 2,-0.5 -0.193 40.6-146.5 -60.9 152.0 44.0 65.5 54.6 426 181 B V B -t 396 0J 1 -31,-0.2 21,-2.5 19,-0.2 22,-1.1 -0.979 14.7-174.0-119.2 119.1 41.4 65.9 51.9 427 182 B I E -q 448 0G 1 -31,-2.2 2,-0.4 -2,-0.5 22,-0.3 -0.962 23.1-132.6-120.1 119.1 38.1 67.5 52.9 428 183 B V E -q 449 0G 0 20,-1.9 22,-2.8 -2,-0.5 2,-0.6 -0.562 28.2-152.9 -69.9 123.8 35.3 67.7 50.4 429 184 B D E -q 450 0G 1 -31,-2.1 -29,-0.4 -2,-0.4 -28,-0.3 -0.892 36.4 -47.0-114.3 116.5 34.0 71.2 50.5 430 185 B A S S+ 0 0 3 20,-2.5 -30,-1.8 -2,-0.6 -29,-0.7 0.315 86.3 98.5 54.6 175.4 30.4 72.4 49.6 431 186 B G + 0 0 3 1,-0.4 -23,-2.8 -31,-0.2 2,-0.3 0.470 64.1 135.5 85.6 2.4 28.2 71.4 46.7 432 187 B I + 0 0 4 18,-0.2 -1,-0.4 -25,-0.2 -26,-0.2 -0.612 30.0 173.0 -83.7 142.1 26.8 69.0 49.3 433 188 B G - 0 0 0 1,-0.4 -201,-0.5 -2,-0.3 -1,-0.1 0.705 57.6 -1.7-120.3 -32.3 23.0 68.7 49.4 434 189 B S S >> S- 0 0 0 -203,-0.1 4,-1.4 34,-0.0 3,-1.3 -0.935 80.4 -83.4-153.3 172.1 22.0 65.9 51.8 435 190 B P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.820 119.1 64.9 -51.5 -36.2 23.5 63.2 54.1 436 191 B K H 3> S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 104.5 46.1 -57.6 -36.8 23.9 60.8 51.2 437 192 B D H <> S+ 0 0 7 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.888 112.7 48.3 -72.4 -41.3 26.5 63.1 49.7 438 193 B A H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.915 113.3 48.4 -65.5 -42.9 28.4 63.7 53.0 439 194 B A H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.923 108.7 54.0 -63.0 -43.7 28.4 59.9 53.6 440 195 B Y H X S+ 0 0 46 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.893 103.9 55.2 -58.8 -42.1 29.7 59.2 50.1 441 196 B A H <>S+ 0 0 2 -4,-1.9 5,-2.0 1,-0.2 4,-0.3 0.938 112.5 42.9 -56.7 -46.8 32.6 61.6 50.5 442 197 B X H ><5S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.877 108.8 58.3 -67.7 -36.7 33.7 59.7 53.6 443 198 B E H 3<5S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.811 102.7 54.9 -63.0 -28.2 33.0 56.4 51.9 444 199 B L T 3<5S- 0 0 3 -4,-1.8 550,-0.3 -3,-0.3 -1,-0.3 0.553 130.2 -95.4 -81.0 -8.3 35.5 57.4 49.2 445 200 B G T < 5 + 0 0 11 -3,-1.5 -3,-0.2 -4,-0.3 -19,-0.2 0.572 67.3 158.0 107.4 10.0 38.1 58.0 51.9 446 201 B A < - 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