==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-FEB-07 2JGP . COMPND 2 MOLECULE: TYROCIDINE SYNTHETASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR S.A.SAMEL,G.SCHOENAFINGER,T.A.KNAPPE,M.A.MARAHIEL,L.-O.ESSEN . 520 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 12.9 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 41 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 1 0 0 2 1 1 1 3 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 5 1 0 0 1 2 3 1 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 1 0 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 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 3 A R 0 0 161 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 125.9 -2.6 8.5 62.4 2 4 A S - 0 0 48 1,-0.2 30,-0.1 31,-0.1 27,-0.1 -0.379 360.0 -77.2 -70.1 158.3 0.7 7.4 61.0 3 5 A E - 0 0 150 1,-0.1 2,-0.5 28,-0.1 28,-0.4 -0.339 58.9-106.3 -50.8 136.8 3.8 8.1 63.1 4 6 A Y + 0 0 55 -3,-0.1 2,-0.4 26,-0.1 -1,-0.1 -0.616 40.3 176.0 -79.3 125.0 4.7 11.7 62.7 5 7 A V - 0 0 36 -2,-0.5 25,-2.9 -3,-0.0 27,-0.2 -0.992 30.5-127.0-123.1 118.7 7.7 12.5 60.6 6 8 A A - 0 0 27 -2,-0.4 23,-0.1 23,-0.2 7,-0.1 -0.328 41.5 -81.9 -65.7 146.8 8.3 16.2 60.1 7 9 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.193 43.3-172.8 -49.3 135.4 8.7 17.5 56.4 8 10 A R + 0 0 144 -3,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.376 62.2 33.7-115.3 -2.4 12.2 16.9 55.2 9 11 A S S > S- 0 0 35 1,-0.1 4,-2.3 352,-0.0 5,-0.2 -0.943 87.3-100.1-147.7 167.4 12.2 18.6 51.9 10 12 A V H > S+ 0 0 10 350,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.899 121.8 46.9 -60.1 -42.6 10.6 21.6 50.2 11 13 A W H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.849 110.0 52.7 -73.3 -32.0 7.9 19.5 48.5 12 14 A E H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 113.0 46.0 -63.9 -41.4 7.1 17.6 51.7 13 15 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 114.2 46.8 -64.1 -49.1 6.6 21.0 53.4 14 16 A R H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.929 116.2 44.2 -60.4 -47.9 4.5 22.4 50.6 15 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.920 110.7 53.3 -63.3 -46.6 2.3 19.4 50.3 16 18 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.2 12,-0.2 0.887 108.5 51.3 -58.1 -43.0 1.8 18.9 54.0 17 19 A Q H X S+ 0 0 45 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.907 111.2 47.4 -58.8 -47.3 0.7 22.5 54.3 18 20 A V H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.911 111.0 50.9 -62.8 -43.5 -1.9 22.1 51.5 19 21 A W H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.902 107.9 53.2 -61.7 -42.6 -3.2 18.8 53.1 20 22 A E H X>S+ 0 0 31 -4,-2.2 4,-1.4 -5,-0.2 5,-0.9 0.914 113.5 43.2 -58.1 -44.6 -3.7 20.4 56.5 21 23 A Q H <5S+ 0 0 151 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.936 118.9 42.2 -66.1 -48.4 -5.7 23.2 54.9 22 24 A V H <5S+ 0 0 22 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.918 125.2 34.0 -68.2 -44.9 -7.8 21.0 52.6 23 25 A L H <5S- 0 0 5 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.653 97.9-132.9 -82.9 -17.1 -8.4 18.2 55.2 24 26 A N T <5 + 0 0 145 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.941 63.1 131.9 54.8 49.8 -8.6 20.6 58.2 25 27 A V < - 0 0 30 -5,-0.9 3,-0.3 -6,-0.3 -1,-0.3 -0.995 50.7-131.3-128.6 136.0 -6.2 18.2 60.1 26 28 A P S S+ 0 0 97 0, 0.0 -5,-0.0 0, 0.0 -7,-0.0 -0.494 73.9 19.3 -87.3 157.5 -3.2 19.5 62.0 27 29 A Q - 0 0 90 1,-0.2 2,-0.4 -2,-0.2 -10,-0.1 0.880 68.6-171.6 61.3 48.4 0.5 18.3 61.9 28 30 A V - 0 0 1 -3,-0.3 -1,-0.2 -12,-0.2 2,-0.2 -0.596 11.5-168.7 -73.2 127.3 0.5 16.3 58.6 29 31 A G > - 0 0 0 -2,-0.4 3,-1.5 -23,-0.1 41,-0.4 -0.565 36.6 -88.2-116.7 179.3 3.8 14.5 58.3 30 32 A A T 3 S+ 0 0 0 -25,-2.9 41,-2.4 1,-0.3 42,-0.3 0.728 122.6 45.5 -62.1 -28.6 5.8 12.6 55.7 31 33 A L T 3 S+ 0 0 51 -28,-0.4 -1,-0.3 -26,-0.2 -28,-0.1 0.481 83.8 120.3 -94.1 -4.6 4.2 9.2 56.4 32 34 A D < - 0 0 0 -3,-1.5 38,-1.4 -27,-0.2 2,-0.5 -0.371 55.2-142.5 -68.2 139.4 0.6 10.4 56.5 33 35 A D B > -A 69 0A 41 36,-0.2 4,-2.2 1,-0.1 36,-0.2 -0.906 7.5-139.7-106.0 127.5 -1.8 8.9 54.0 34 36 A F T 4>S+ 0 0 0 34,-2.7 5,-2.2 -2,-0.5 -1,-0.1 0.840 103.2 42.0 -54.1 -40.4 -4.4 11.2 52.5 35 37 A F T >45S+ 0 0 59 33,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.831 110.9 54.7 -83.3 -32.6 -7.2 8.6 52.6 36 38 A A T 345S+ 0 0 79 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.849 104.0 58.0 -63.4 -34.1 -6.3 7.3 56.1 37 39 A L T 3<5S- 0 0 28 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.492 131.5 -94.7 -75.6 -4.7 -6.6 11.0 57.2 38 40 A G T < 5S+ 0 0 26 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.397 77.8 140.4 109.1 -0.7 -10.2 11.0 56.0 39 41 A G < + 0 0 1 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.2 -0.411 22.8 176.7 -70.6 147.4 -9.8 12.4 52.4 40 42 A H > - 0 0 131 -2,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.623 52.0 -63.0-129.7-162.1 -11.9 11.0 49.6 41 43 A S H > S+ 0 0 67 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.857 128.1 52.6 -56.2 -43.4 -12.3 12.0 45.9 42 44 A L H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.940 115.0 38.9 -60.8 -51.1 -13.7 15.4 46.5 43 45 A R H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.774 111.1 59.4 -75.8 -25.4 -11.0 16.6 48.8 44 46 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.915 106.0 49.2 -62.8 -43.2 -8.3 14.9 46.7 45 47 A M H X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.857 108.2 54.4 -63.2 -35.0 -9.4 17.0 43.7 46 48 A R H X S+ 0 0 130 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.860 105.7 52.3 -65.5 -37.2 -9.2 20.1 46.1 47 49 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.924 110.0 48.7 -62.8 -44.5 -5.5 19.1 46.9 48 50 A L H X S+ 0 0 25 -4,-2.0 4,-1.8 1,-0.2 11,-0.3 0.915 112.9 48.0 -59.4 -45.4 -4.8 19.0 43.1 49 51 A S H X S+ 0 0 66 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 111.1 50.3 -61.4 -45.7 -6.5 22.4 42.7 50 52 A S H X S+ 0 0 40 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.872 109.8 49.4 -63.3 -40.6 -4.6 24.0 45.6 51 53 A M H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 6,-1.3 0.847 112.0 49.9 -68.2 -34.1 -1.2 22.8 44.3 52 54 A H H X S+ 0 0 83 -4,-1.8 4,-1.4 4,-0.2 -2,-0.2 0.922 115.3 43.1 -65.9 -45.0 -2.0 24.1 40.9 53 55 A N H < S+ 0 0 105 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.903 123.6 33.4 -69.6 -44.1 -3.0 27.5 42.3 54 56 A E H < S+ 0 0 45 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.869 139.0 13.7 -81.6 -37.5 -0.2 28.0 44.8 55 57 A Y H < S- 0 0 1 -4,-1.8 30,-0.3 -5,-0.3 -3,-0.2 0.397 88.1-124.3-124.2 0.5 2.7 26.3 43.0 56 58 A Q < + 0 0 56 -4,-1.4 29,-1.0 -5,-0.3 2,-0.5 0.889 64.0 140.0 49.6 41.7 1.6 25.8 39.3 57 59 A V B -B 84 0B 5 -6,-1.3 2,-0.8 27,-0.2 27,-0.2 -0.982 44.4-149.1-115.3 125.0 2.3 22.0 39.7 58 60 A D - 0 0 85 25,-2.7 -9,-0.1 -2,-0.5 -10,-0.1 -0.843 13.8-172.9-101.5 105.0 -0.2 19.8 38.0 59 61 A I - 0 0 8 -2,-0.8 -7,-0.1 -11,-0.3 -8,-0.1 -0.882 24.3-127.7 -99.2 117.0 -0.6 16.5 39.9 60 62 A P >> - 0 0 43 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.364 15.2-126.7 -61.9 144.9 -2.7 13.9 38.0 61 63 A L H 3> S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.896 110.2 61.7 -59.2 -40.1 -5.5 12.5 40.3 62 64 A R H 3> S+ 0 0 195 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.815 101.4 52.4 -51.9 -36.6 -4.3 9.0 39.3 63 65 A I H <> S+ 0 0 21 -3,-0.8 4,-3.7 2,-0.2 -1,-0.2 0.868 104.6 53.8 -72.6 -38.4 -0.9 9.8 40.9 64 66 A L H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.903 113.1 44.8 -61.2 -40.8 -2.5 11.0 44.3 65 67 A F H < S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.4 43.3 -64.0 -44.8 -4.3 7.6 44.4 66 68 A E H < S+ 0 0 124 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.854 125.3 33.6 -69.5 -37.3 -1.1 5.8 43.4 67 69 A K S < S+ 0 0 67 -4,-3.7 -1,-0.3 1,-0.1 6,-0.2 -0.694 73.0 164.6-122.0 72.8 1.2 7.8 45.7 68 70 A P + 0 0 22 0, 0.0 -34,-2.7 0, 0.0 2,-0.3 0.419 49.1 77.8 -81.0 1.5 -1.1 8.5 48.7 69 71 A T B > S-A 33 0A 18 -36,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.804 83.7-118.9-110.6 153.8 1.5 9.6 51.2 70 72 A I H > S+ 0 0 0 -38,-1.4 4,-2.6 -41,-0.4 5,-0.2 0.895 113.2 50.0 -52.6 -45.9 3.3 12.9 51.5 71 73 A Q H > S+ 0 0 68 -41,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.897 112.9 45.6 -67.0 -38.2 6.8 11.3 51.0 72 74 A E H > S+ 0 0 71 -42,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.906 115.4 45.9 -68.6 -43.0 5.7 9.4 47.9 73 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.879 112.0 51.1 -71.6 -38.8 3.9 12.4 46.3 74 76 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.915 109.4 51.5 -60.2 -44.5 6.8 14.8 47.1 75 77 A A H X S+ 0 0 28 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.903 107.7 52.9 -58.2 -43.6 9.2 12.3 45.5 76 78 A F H X S+ 0 0 39 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.931 109.8 47.6 -57.3 -47.0 6.9 12.2 42.4 77 79 A I H >< S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.901 110.6 52.5 -62.7 -41.1 7.0 16.0 42.1 78 80 A E H 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 114.3 42.2 -60.9 -32.3 10.8 16.0 42.5 79 81 A E H 3< S+ 0 0 154 -4,-1.6 2,-0.5 -3,-0.3 -1,-0.2 0.410 100.8 84.8 -98.4 1.5 11.2 13.5 39.7 80 82 A T << + 0 0 34 -3,-0.9 7,-0.1 -4,-0.6 -1,-0.0 -0.921 40.2 174.4-118.2 119.4 8.7 15.0 37.3 81 83 A A > + 0 0 43 -2,-0.5 3,-1.5 6,-0.1 6,-0.3 0.786 58.4 96.8 -84.6 -32.8 9.4 17.8 34.8 82 84 A K T 3 S- 0 0 170 1,-0.3 -24,-0.1 3,-0.0 3,-0.1 -0.365 102.3 -2.5 -64.9 130.7 6.0 17.7 33.2 83 85 A G T 3 S+ 0 0 31 1,-0.1 -25,-2.7 -2,-0.1 2,-0.4 0.834 106.4 115.2 56.8 34.3 3.5 20.2 34.5 84 86 A N B X -B 57 0B 17 -3,-1.5 3,-1.5 -27,-0.2 -27,-0.2 -0.892 46.1-171.3-136.8 102.5 6.1 21.4 37.1 85 87 A V T 3 S+ 0 0 49 -29,-1.0 -28,-0.1 -2,-0.4 -29,-0.1 0.562 86.2 63.3 -72.8 -7.7 7.3 25.0 36.7 86 88 A F T 3 S+ 0 0 20 -31,-0.1 -1,-0.3 -30,-0.1 2,-0.2 0.447 76.1 117.9 -90.1 -4.9 10.0 24.3 39.4 87 89 A S < - 0 0 27 -3,-1.5 2,-0.6 -6,-0.3 -6,-0.1 -0.466 52.1-154.2 -71.8 131.0 11.8 21.7 37.2 88 90 A I + 0 0 20 -2,-0.2 168,-0.1 3,-0.0 167,-0.1 -0.930 22.9 168.4-108.7 113.6 15.4 22.5 36.3 89 91 A E - 0 0 82 -2,-0.6 170,-0.1 166,-0.2 162,-0.0 -0.802 45.8 -75.0-120.5 160.9 16.5 20.7 33.0 90 92 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.312 55.6-134.1 -54.7 135.2 19.5 21.1 30.7 91 93 A V - 0 0 40 1,-0.1 2,-0.1 -3,-0.0 3,-0.1 -0.564 19.0 -94.6 -97.7 157.9 19.2 24.2 28.6 92 94 A Q - 0 0 170 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.421 53.1 -93.6 -67.1 142.2 19.7 24.8 24.9 93 95 A K + 0 0 189 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.286 53.9 172.5 -60.7 139.9 23.1 26.1 23.9 94 96 A Q - 0 0 122 1,-0.1 3,-0.1 -3,-0.1 -3,-0.0 -0.946 45.4-113.5-148.2 159.4 23.4 29.9 23.7 95 97 A A S S+ 0 0 77 -2,-0.3 2,-0.3 1,-0.2 70,-0.3 0.894 102.1 3.5 -64.7 -41.4 26.0 32.6 23.2 96 98 A Y S S- 0 0 100 68,-0.1 68,-0.2 -3,-0.1 -1,-0.2 -0.928 70.1-142.5-138.8 163.4 25.5 33.9 26.7 97 99 A Y E -C 163 0C 17 66,-2.1 66,-3.1 -2,-0.3 158,-0.1 -0.947 29.5 -99.7-127.8 148.6 23.3 32.9 29.7 98 100 A P E -C 162 0C 26 0, 0.0 2,-0.2 0, 0.0 64,-0.2 -0.300 37.1-120.7 -61.7 150.0 21.4 35.0 32.2 99 101 A V - 0 0 18 62,-0.8 2,-0.1 1,-0.1 55,-0.0 -0.554 30.0-107.0 -77.5 154.9 23.1 35.6 35.6 100 102 A S > - 0 0 2 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.364 34.6-102.9 -69.6 164.2 21.2 34.5 38.7 101 103 A S H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.913 124.3 49.5 -55.2 -45.1 19.7 37.1 40.9 102 104 A A H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 110.7 49.2 -64.1 -44.3 22.6 36.7 43.4 103 105 A Q H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.869 106.9 57.0 -59.5 -39.8 25.2 37.0 40.6 104 106 A K H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 107.9 46.5 -60.5 -45.0 23.5 40.1 39.3 105 107 A R H X S+ 0 0 125 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.916 113.5 48.2 -63.5 -45.6 23.8 41.9 42.7 106 108 A M H X S+ 0 0 15 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.910 111.7 50.4 -62.3 -43.5 27.5 40.9 43.1 107 109 A Y H X S+ 0 0 12 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.947 112.8 45.3 -58.4 -51.6 28.3 42.0 39.5 108 110 A I H X>S+ 0 0 67 -4,-2.3 4,-2.5 2,-0.2 5,-0.8 0.900 116.3 45.4 -61.2 -44.5 26.7 45.4 40.0 109 111 A L H X>S+ 0 0 30 -4,-2.5 4,-1.1 1,-0.2 5,-0.9 0.923 114.5 48.9 -66.7 -43.4 28.3 46.0 43.4 110 112 A D H <5S+ 0 0 31 -4,-2.9 5,-0.4 -5,-0.2 -2,-0.2 0.867 121.4 34.4 -58.8 -39.4 31.7 44.8 42.2 111 113 A Q H <5S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.804 132.5 21.5 -94.5 -34.5 31.7 47.0 39.0 112 114 A F H <5S+ 0 0 157 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.693 125.7 44.2-108.2 -27.8 29.9 50.2 40.1 113 115 A E T < - 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0 0 71 -4,-2.4 3,-1.7 -5,-0.1 -1,-0.3 -0.736 60.8-175.8-149.8 92.1 9.8 23.1 81.3 510 512 A P T 3 S+ 0 0 30 0, 0.0 -122,-1.5 0, 0.0 -4,-0.1 0.651 86.3 60.4 -63.8 -17.4 8.8 23.7 77.6 511 513 A H T 3 S+ 0 0 118 -124,-0.2 -5,-0.1 -125,-0.1 -122,-0.1 0.414 74.3 124.4 -94.4 2.1 5.5 25.1 78.7 512 514 A I < - 0 0 33 -3,-1.7 -125,-2.8 -7,-0.2 -124,-0.2 -0.309 69.2-112.3 -55.6 140.6 7.0 27.9 80.7 513 515 A R B >> -P 386 0H 120 -127,-0.3 3,-1.4 1,-0.1 4,-0.8 -0.580 21.4-119.3 -81.1 143.8 5.7 31.3 79.6 514 516 A L G >4 S+ 0 0 6 -129,-2.8 3,-1.0 -132,-0.4 -131,-0.2 0.865 113.3 52.1 -53.0 -42.5 8.3 33.6 77.9 515 517 A G G 34 S+ 0 0 38 -132,-2.3 -1,-0.3 -130,-0.2 -131,-0.1 0.756 106.3 54.9 -64.5 -26.8 8.0 36.3 80.5 516 518 A E G <4 S+ 0 0 131 -3,-1.4 2,-0.7 -133,-0.3 -1,-0.2 0.572 77.0 112.0 -84.3 -11.5 8.5 33.8 83.3 517 519 A I << - 0 0 4 -3,-1.0 2,-1.4 -4,-0.8 3,-0.2 -0.528 64.9-145.6 -65.4 108.6 11.8 32.6 81.8 518 520 A D + 0 0 119 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.1 -0.649 35.5 159.1 -82.5 91.0 14.4 33.9 84.4 519 521 A M 0 0 23 -2,-1.4 -1,-0.2 1,-0.1 -18,-0.1 0.785 360.0 360.0 -76.1 -28.8 17.3 34.7 82.2 520 522 A L 0 0 162 -3,-0.2 -1,-0.1 -19,-0.1 -2,-0.0 -0.484 360.0 360.0 89.7 360.0 18.8 37.1 84.9