==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 22-OCT-96 1BSL . COMPND 2 MOLECULE: BACTERIAL LUCIFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR I.RAYMENT,H.M.HOLDEN,J.B.THODEN,T.O.BALDWIN . 647 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 5 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 . 38 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 0 1 1 0 1 3 3 0 0 3 2 2 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 7 3 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 1 A M 0 0 73 0, 0.0 2,-0.2 0, 0.0 293,-0.2 0.000 360.0 360.0 360.0 130.6 20.9 -15.4 49.6 2 2 A K - 0 0 66 291,-0.5 293,-3.6 321,-0.1 2,-0.4 -0.634 360.0-155.8 -92.7 148.5 19.6 -14.0 46.4 3 3 A F E +a 295 0A 24 32,-0.3 34,-2.9 -2,-0.2 35,-0.4 -0.996 21.0 161.3-128.9 126.2 20.4 -15.4 42.9 4 4 A G E -a 296 0A 1 291,-3.1 293,-2.8 -2,-0.4 2,-0.3 -0.734 31.1-111.9-134.0 178.9 20.3 -13.5 39.7 5 5 A L E -ab 297 39A 3 33,-3.6 35,-3.2 291,-0.3 2,-0.3 -0.843 20.2-164.2-116.7 154.7 21.5 -13.6 36.2 6 6 A F E - b 0 40A 1 291,-2.6 2,-0.5 -2,-0.3 293,-0.3 -0.968 10.5-142.9-135.7 149.6 24.0 -11.5 34.3 7 7 A F E + b 0 41A 5 33,-2.2 35,-2.2 -2,-0.3 67,-0.1 -0.976 18.7 174.3-120.9 127.3 24.7 -11.0 30.6 8 8 A L - 0 0 0 -2,-0.5 44,-0.4 33,-0.1 43,-0.2 0.788 26.4-155.9 -91.3 -41.5 28.2 -10.6 29.2 9 9 A N - 0 0 1 1,-0.2 42,-1.8 41,-0.2 2,-0.5 0.934 17.9-177.7 58.6 56.2 27.1 -10.7 25.6 10 10 A F - 0 0 3 40,-0.2 39,-0.2 39,-0.2 -1,-0.2 -0.677 4.6-164.5 -82.7 126.0 30.3 -11.8 24.1 11 11 A M - 0 0 31 37,-2.6 2,-0.3 -2,-0.5 5,-0.2 -0.596 8.6-179.7-107.3 174.2 30.3 -12.2 20.3 12 12 A N - 0 0 45 3,-2.6 5,-0.0 -2,-0.2 234,-0.0 -0.965 50.3 -81.5-158.3 171.6 32.7 -13.9 17.9 13 13 A S S S+ 0 0 126 -2,-0.3 3,-0.2 1,-0.2 -2,-0.0 0.779 134.1 35.0 -48.2 -30.5 33.2 -14.5 14.2 14 14 A K S S+ 0 0 178 1,-0.2 2,-0.7 2,-0.0 -1,-0.2 0.767 117.5 52.7 -94.3 -37.0 30.7 -17.4 14.6 15 15 A R S S- 0 0 39 4,-0.0 -3,-2.6 3,-0.0 -1,-0.2 -0.869 81.6-153.9-113.7 94.8 28.3 -15.8 17.2 16 16 A S > - 0 0 34 -2,-0.7 4,-2.0 -5,-0.2 5,-0.2 -0.032 28.7-107.8 -63.3 162.5 27.2 -12.4 16.1 17 17 A S H > S+ 0 0 9 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.858 120.7 54.7 -57.8 -35.9 26.0 -9.4 18.0 18 18 A D H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 106.2 51.5 -64.7 -46.2 22.5 -10.2 16.8 19 19 A Q H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 109.5 46.6 -56.7 -50.6 22.6 -13.7 18.0 20 20 A V H X S+ 0 0 6 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.752 109.5 54.0 -66.7 -31.4 23.7 -12.9 21.5 21 21 A I H X S+ 0 0 2 -4,-1.5 4,-2.8 -3,-0.2 -1,-0.2 0.910 108.3 50.8 -68.2 -45.4 21.1 -10.1 22.0 22 22 A E H X S+ 0 0 108 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.936 109.2 50.5 -56.6 -50.6 18.3 -12.4 21.1 23 23 A E H X S+ 0 0 60 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.876 108.8 51.7 -59.3 -38.1 19.5 -15.1 23.5 24 24 A M H X S+ 0 0 3 -4,-1.5 4,-3.9 2,-0.2 5,-0.3 0.987 110.6 48.7 -62.4 -49.5 19.6 -12.6 26.2 25 25 A L H X S+ 0 0 25 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.921 114.6 44.1 -52.3 -51.2 16.1 -11.6 25.4 26 26 A D H X S+ 0 0 76 -4,-3.1 4,-3.3 1,-0.2 -1,-0.2 0.929 115.1 51.1 -58.2 -45.4 14.8 -15.1 25.3 27 27 A T H X S+ 0 0 8 -4,-3.0 4,-2.4 -5,-0.3 -2,-0.2 0.907 106.2 52.0 -59.6 -48.8 16.8 -15.9 28.5 28 28 A A H X S+ 0 0 1 -4,-3.9 4,-1.2 -5,-0.2 -1,-0.2 0.916 114.2 44.8 -57.2 -43.8 15.4 -13.0 30.3 29 29 A H H >X S+ 0 0 109 -4,-2.2 3,-1.3 -5,-0.3 4,-0.7 0.990 110.9 52.1 -62.0 -57.1 11.9 -14.1 29.5 30 30 A Y H 3< S+ 0 0 97 -4,-3.3 3,-0.3 1,-0.3 -1,-0.2 0.822 114.6 44.3 -45.5 -38.5 12.6 -17.8 30.3 31 31 A V H >< S+ 0 0 3 -4,-2.4 3,-2.0 -5,-0.2 5,-0.4 0.699 91.2 87.5 -84.2 -20.2 13.9 -16.7 33.7 32 32 A D H << S+ 0 0 23 -3,-1.3 -1,-0.2 -4,-1.2 -2,-0.2 0.837 90.5 43.8 -46.8 -49.0 11.1 -14.2 34.4 33 33 A Q T 3< S+ 0 0 148 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.1 0.341 105.0 87.8 -85.0 8.5 8.6 -16.7 36.0 34 34 A L S < S- 0 0 57 -3,-2.0 -3,-0.1 2,-0.1 -4,-0.0 -0.238 95.2 -97.6 -95.3-172.9 11.4 -18.3 38.0 35 35 A K S S+ 0 0 95 -2,-0.1 -32,-0.3 -31,-0.0 -3,-0.1 0.530 77.6 124.6 -85.2 -8.6 12.9 -17.6 41.3 36 36 A F - 0 0 20 -5,-0.4 -32,-0.2 1,-0.1 34,-0.2 -0.305 47.3-158.6 -55.3 129.4 15.8 -15.5 39.9 37 37 A D + 0 0 45 -34,-2.9 33,-0.7 1,-0.2 2,-0.4 0.712 60.1 25.8 -88.0 -25.2 15.8 -12.1 41.5 38 38 A T E - c 0 70A 11 -35,-0.4 -33,-3.6 31,-0.1 2,-0.5 -0.994 50.1-149.5-148.4 154.1 17.7 -10.0 39.2 39 39 A L E -bc 5 71A 6 31,-2.8 33,-2.6 -2,-0.4 2,-0.3 -0.968 26.9-166.1-119.8 108.4 18.8 -9.5 35.6 40 40 A A E -bc 6 72A 0 -35,-3.2 -33,-2.2 -2,-0.5 2,-0.5 -0.778 6.5-150.9-105.3 141.3 22.2 -7.7 35.3 41 41 A V E -bc 7 73A 0 31,-2.7 33,-3.0 -2,-0.3 34,-0.6 -0.946 6.5-144.3-118.6 124.0 23.8 -6.1 32.2 42 42 A Y - 0 0 24 -35,-2.2 2,-0.4 -2,-0.5 10,-0.3 -0.604 13.6-140.9 -82.9 132.0 27.5 -5.8 31.4 43 43 A E + 0 0 0 -2,-0.3 2,-0.3 10,-0.1 10,-0.3 -0.783 30.1 156.7 -97.9 136.9 28.9 -2.7 29.6 44 44 A N - 0 0 3 8,-3.0 2,-0.4 -2,-0.4 6,-0.1 -0.980 21.8-148.1-153.0 152.0 31.6 -3.0 27.0 45 45 A H - 0 0 10 -2,-0.3 4,-0.1 4,-0.1 437,-0.1 -0.979 63.3 -12.2-133.1 141.0 32.8 -0.9 24.0 46 46 A F S S+ 0 0 28 -2,-0.4 435,-0.3 435,-0.2 2,-0.3 0.686 106.1 85.1 55.9 24.9 34.4 -1.5 20.6 47 47 A S S S- 0 0 24 3,-0.5 3,-0.2 433,-0.1 -36,-0.1 -0.966 82.6-113.2-149.6 167.3 35.3 -5.1 21.1 48 48 A N S S+ 0 0 50 -2,-0.3 -37,-2.6 1,-0.2 2,-1.9 0.723 98.6 82.3 -73.0 -21.6 33.9 -8.6 20.9 49 49 A N S S+ 0 0 6 1,-0.2 -1,-0.2 -39,-0.2 -39,-0.2 -0.286 111.4 0.4 -81.5 55.6 34.0 -9.2 24.6 50 50 A G - 0 0 0 -2,-1.9 -3,-0.5 -41,-0.4 -1,-0.2 0.240 56.6-162.0 126.4 105.5 30.7 -7.4 25.2 51 51 A V + 0 0 0 -42,-1.8 2,-0.8 -43,-0.2 -5,-0.1 0.499 68.0 92.2 -91.1 -4.6 28.5 -5.9 22.6 52 52 A V + 0 0 0 -44,-0.4 -8,-3.0 -10,-0.3 -1,-0.1 -0.782 36.6 164.4 -97.8 105.9 26.5 -3.7 25.0 53 53 A G S S+ 0 0 0 -2,-0.8 -1,-0.2 430,-0.4 -10,-0.1 0.665 76.8 45.2 -89.5 -18.1 28.0 -0.2 25.4 54 54 A A >> + 0 0 3 358,-0.2 4,-1.7 1,-0.1 3,-0.7 -0.800 57.7 173.1-128.8 81.4 24.8 1.3 27.0 55 55 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.714 77.6 65.8 -61.9 -19.2 23.5 -1.1 29.6 56 56 A L H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.869 101.2 46.6 -71.3 -39.4 20.9 1.6 30.6 57 57 A T H <> S+ 0 0 0 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.909 113.7 48.6 -68.5 -43.6 19.1 1.4 27.3 58 58 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.902 106.9 56.4 -62.5 -42.6 19.1 -2.4 27.5 59 59 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.919 104.5 54.4 -55.2 -42.9 17.8 -2.1 31.1 60 60 A G H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.981 111.0 43.4 -55.8 -56.8 14.8 -0.1 29.8 61 61 A F H X S+ 0 0 14 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.939 114.0 51.2 -53.6 -49.8 13.8 -2.7 27.3 62 62 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 113.8 43.1 -57.6 -42.5 14.3 -5.5 29.8 63 63 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.2 0.868 110.8 57.2 -72.8 -34.3 12.2 -3.9 32.4 64 64 A G H 3< S+ 0 0 10 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.862 110.1 43.7 -63.1 -38.4 9.6 -2.9 29.7 65 65 A M T 3< S+ 0 0 40 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.3 0.342 113.9 55.6 -90.4 5.1 9.2 -6.6 28.7 66 66 A T < - 0 0 11 -3,-1.0 -37,-0.1 -5,-0.2 -38,-0.0 -0.818 54.6-171.5-127.5 172.2 9.1 -7.9 32.2 67 67 A K S S+ 0 0 169 -2,-0.3 -1,-0.1 -35,-0.0 -4,-0.0 0.667 84.2 31.8-135.7 -32.1 6.9 -7.1 35.1 68 68 A N S S+ 0 0 132 -36,-0.1 2,-0.1 2,-0.1 -5,-0.0 0.625 95.7 111.4 -99.7 -20.8 8.1 -8.8 38.2 69 69 A A - 0 0 17 -7,-0.1 2,-0.4 -6,-0.1 -31,-0.1 -0.279 59.7-139.2 -67.8 140.3 11.7 -8.7 37.3 70 70 A K E -c 38 0A 80 -33,-0.7 -31,-2.8 -34,-0.2 2,-0.4 -0.781 24.0-166.1 -93.9 125.9 14.6 -6.7 38.9 71 71 A V E -cd 39 101A 2 29,-2.6 31,-3.1 -2,-0.4 2,-0.3 -0.976 7.3-179.0-125.3 138.3 17.0 -5.2 36.4 72 72 A A E -cd 40 102A 2 -33,-2.6 -31,-2.7 -2,-0.4 2,-0.4 -0.965 34.5-120.7-140.9 151.9 20.5 -3.6 36.9 73 73 A S E -cd 41 103A 0 29,-1.9 31,-0.8 -2,-0.3 -31,-0.2 -0.674 28.6-158.4 -76.4 129.4 23.4 -2.0 35.3 74 74 A L E S- 0 0 7 -33,-3.0 -32,-0.2 -2,-0.4 -1,-0.2 0.935 78.1 -6.8 -76.7 -45.7 26.3 -4.3 36.2 75 75 A N E S- 0 0 2 -34,-0.6 2,-0.4 -3,-0.1 30,-0.3 -0.362 71.9-175.0-151.9 56.8 29.2 -1.9 35.7 76 76 A H E - d 0 105A 2 28,-2.9 30,-3.9 1,-0.1 2,-1.1 -0.462 24.3-135.7 -64.7 119.8 28.0 1.4 34.3 77 77 A V E + d 0 106A 5 -2,-0.4 4,-0.4 28,-0.2 30,-0.2 -0.622 30.5 171.9 -79.1 96.8 31.1 3.5 33.8 78 78 A I > + 0 0 0 28,-1.7 3,-1.2 -2,-1.1 -1,-0.2 0.851 66.7 72.9 -76.0 -31.0 30.1 6.9 35.1 79 79 A T T 3 S+ 0 0 0 27,-0.6 -1,-0.2 1,-0.3 28,-0.1 0.837 103.8 40.4 -52.2 -39.3 33.5 8.4 34.8 80 80 A T T 3 S+ 0 0 6 -3,-0.2 2,-0.3 38,-0.1 -1,-0.3 0.580 108.7 74.2 -88.1 -10.8 33.2 8.6 31.0 81 81 A H S < S- 0 0 4 -3,-1.2 37,-0.0 -4,-0.4 36,-0.0 -0.821 94.0 -98.2-110.1 146.3 29.5 9.6 31.0 82 82 A H > - 0 0 32 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 -0.385 31.8-141.4 -56.8 126.5 28.0 13.0 31.8 83 83 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.802 99.3 53.1 -60.6 -30.0 26.8 12.6 35.5 84 84 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 109.6 46.0 -69.6 -48.0 23.6 14.6 34.7 85 85 A R H > S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.965 110.8 53.8 -57.8 -54.6 22.7 12.4 31.8 86 86 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.898 109.6 49.0 -47.1 -50.1 23.4 9.4 33.9 87 87 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.908 113.2 45.7 -60.0 -43.3 21.0 10.7 36.7 88 88 A E H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.971 112.5 50.9 -61.9 -53.2 18.2 11.4 34.3 89 89 A E H X S+ 0 0 8 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.920 115.0 42.4 -49.4 -51.9 18.6 8.2 32.5 90 90 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.834 113.4 51.7 -68.8 -34.8 18.5 6.2 35.8 91 91 A C H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 72,-0.3 0.855 107.4 54.6 -69.6 -36.1 15.6 8.3 37.3 92 92 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.948 110.5 44.7 -59.8 -48.2 13.6 7.7 34.2 93 93 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 7,-0.4 0.852 110.0 54.8 -65.4 -38.0 14.1 3.9 34.6 94 94 A D H <>S+ 0 0 0 -4,-1.8 5,-3.2 2,-0.2 6,-0.4 0.922 114.8 41.4 -59.2 -45.5 13.2 4.1 38.3 95 95 A Q H ><5S+ 0 0 10 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.937 114.8 48.1 -65.4 -58.4 10.0 5.9 37.3 96 96 A M H 3<5S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.853 120.0 37.3 -53.8 -43.5 8.9 3.8 34.4 97 97 A S T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.482 109.2-122.2 -91.0 -6.3 9.5 0.5 36.1 98 98 A E T < 5S- 0 0 124 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.938 78.6 -33.4 64.1 53.4 8.2 1.7 39.4 99 99 A G S > S+ 0 0 87 -2,-0.3 3,-2.2 2,-0.1 4,-0.7 0.803 96.4 48.0-106.2 -55.9 42.5 3.9 29.6 112 112 A A H 3> S+ 0 0 43 1,-0.3 4,-1.0 2,-0.2 3,-0.1 0.718 101.6 69.6 -57.6 -22.3 42.1 4.3 25.9 113 113 A D H 34 S+ 0 0 24 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.891 91.1 60.2 -65.8 -31.3 38.5 3.9 26.5 114 114 A M H X> S+ 0 0 8 -3,-2.2 4,-3.2 1,-0.2 3,-1.5 0.885 98.6 56.2 -57.5 -46.3 38.5 7.3 28.2 115 115 A R H 3< S+ 0 0 150 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 97.3 63.0 -59.4 -33.6 39.7 9.1 25.1 116 116 A F T 3< S+ 0 0 11 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.633 123.8 13.5 -68.5 -16.5 36.9 7.9 23.0 117 117 A F T <4 S+ 0 0 17 -3,-1.5 -2,-0.2 -4,-0.4 2,-0.1 0.665 125.1 15.1-127.7 -45.3 34.3 9.7 25.2 118 118 A N S < S- 0 0 26 -4,-3.2 -1,-0.1 -5,-0.2 -38,-0.1 -0.385 88.5 -73.4-119.5-161.0 35.8 12.3 27.6 119 119 A R - 0 0 150 -2,-0.1 -4,-0.1 -3,-0.1 -3,-0.0 -0.895 56.4-131.7-100.2 101.8 39.0 14.2 28.3 120 120 A P + 0 0 69 0, 0.0 2,-0.2 0, 0.0 -9,-0.0 -0.220 35.5 166.9 -58.8 149.0 41.4 11.6 29.7 121 121 A T - 0 0 66 1,-0.1 3,-0.1 0, 0.0 -7,-0.1 -0.796 46.1-125.3-144.8-172.8 43.2 12.5 32.8 122 122 A D S S+ 0 0 165 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.607 106.6 64.0-112.7 -29.0 45.4 11.1 35.6 123 123 A S > + 0 0 64 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.280 68.7 133.9 -91.9 40.7 43.1 12.4 38.4 124 124 A Q H > + 0 0 49 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.885 60.3 58.2 -61.1 -46.7 40.5 10.1 37.0 125 125 A F H > S+ 0 0 24 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.803 105.2 54.6 -56.9 -30.5 39.4 8.6 40.3 126 126 A Q H > S+ 0 0 91 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.902 106.2 49.4 -70.2 -39.9 38.6 12.2 41.3 127 127 A L H X S+ 0 0 10 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.980 111.0 51.5 -61.4 -51.7 36.4 12.7 38.3 128 128 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.914 110.2 47.2 -51.4 -49.0 34.7 9.5 39.2 129 129 A S H X S+ 0 0 17 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.883 114.3 47.4 -63.9 -35.8 34.1 10.6 42.8 130 130 A E H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.859 110.5 52.7 -71.8 -35.4 32.8 13.9 41.7 131 131 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.956 110.6 46.7 -63.2 -52.1 30.5 12.3 39.0 132 132 A H H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.829 108.2 58.4 -59.0 -34.9 29.0 10.0 41.6 133 133 A K H X S+ 0 0 122 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.956 108.3 44.2 -61.0 -50.3 28.5 13.0 43.9 134 134 A I H >X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 3,-0.7 0.971 114.5 50.3 -58.1 -52.7 26.5 14.8 41.3 135 135 A I H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.915 110.9 47.0 -53.2 -46.7 24.5 11.6 40.5 136 136 A N H 3X S+ 0 0 48 -4,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.771 105.7 61.3 -70.4 -23.6 23.7 10.8 44.1 137 137 A D H S- 0 0 51 -73,-0.1 3,-2.6 1,-0.1 2,-0.5 -0.697 101.2-108.5 -86.1 131.2 12.2 5.3 45.0 165 165 A E T 3 S+ 0 0 178 -2,-0.4 -25,-0.1 1,-0.3 -2,-0.1 -0.522 109.7 18.6 -64.5 117.7 13.0 7.6 48.0 166 166 A G T 3 S- 0 0 25 -27,-0.6 -1,-0.3 -2,-0.5 -26,-0.2 0.398 124.2 -89.0 100.5 1.3 16.8 8.0 47.8 167 167 A G S < S- 0 0 5 -3,-2.6 3,-0.1 -27,-0.1 -76,-0.1 -0.175 72.7 -32.1 86.7 179.7 17.0 7.0 44.1 168 168 A P S S- 0 0 4 0, 0.0 -66,-0.1 0, 0.0 -68,-0.0 -0.298 79.8 -84.9 -68.5 155.4 17.4 3.5 42.8 169 169 A A - 0 0 70 -68,-0.5 -66,-3.0 -70,-0.1 2,-0.3 -0.250 54.1-151.2 -56.1 143.3 19.5 1.0 44.9 170 170 A Q E +e 103 0A 23 -68,-0.2 2,-0.3 -3,-0.1 -66,-0.2 -0.858 19.6 178.5-122.1 161.0 23.2 1.4 44.0 171 171 A F E -e 104 0A 6 -68,-1.8 -66,-3.0 -2,-0.3 2,-0.4 -0.955 16.9-138.8-161.5 139.4 26.3 -0.8 44.0 172 172 A V E -ef 105 190A 1 17,-2.6 19,-2.3 -2,-0.3 2,-0.3 -0.858 18.2-122.1-108.0 142.2 29.9 -0.3 43.1 173 173 A N E - f 0 191A 10 -68,-2.5 2,-1.7 -2,-0.4 3,-0.2 -0.507 25.4-130.0 -76.5 125.5 32.3 -2.6 41.2 174 174 A A + 0 0 0 17,-2.4 19,-0.4 -2,-0.3 -1,-0.1 -0.612 51.4 147.2 -83.4 91.1 35.3 -3.5 43.3 175 175 A T - 0 0 36 -2,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.511 64.8 -4.4 -99.1 -9.6 38.0 -2.6 40.8 176 176 A S S > S- 0 0 33 -3,-0.2 4,-2.3 1,-0.1 -1,-0.2 -0.966 70.7-100.6-171.5 168.2 40.7 -1.4 43.1 177 177 A K H > S+ 0 0 94 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.846 118.4 58.2 -68.9 -36.6 41.5 -0.6 46.7 178 178 A E H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 111.9 39.8 -58.1 -51.2 40.9 3.1 46.1 179 179 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.937 113.7 54.2 -66.0 -46.2 37.4 2.5 45.0 180 180 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.901 110.5 47.6 -54.8 -43.7 36.7 -0.2 47.6 181 181 A E H X S+ 0 0 79 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.877 111.5 49.9 -65.5 -40.4 37.8 2.2 50.3 182 182 A W H X S+ 0 0 22 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.953 111.6 48.3 -62.2 -49.4 35.6 5.0 48.9 183 183 A A H <>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 4,-0.4 0.902 111.7 50.3 -55.1 -48.3 32.5 2.8 48.7 184 184 A A H ><5S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.850 107.9 52.9 -60.0 -38.5 33.1 1.6 52.3 185 185 A K H 3<5S+ 0 0 97 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.816 113.7 43.1 -67.8 -31.9 33.4 5.1 53.4 186 186 A L T 3<5S- 0 0 85 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.403 113.1-117.4 -94.5 -1.3 30.1 5.9 51.8 187 187 A G T < 5 + 0 0 22 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.726 60.8 153.1 73.6 18.3 28.4 2.8 53.0 188 188 A L < - 0 0 21 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.531 43.7-121.4 -83.1 152.1 27.9 1.4 49.4 189 189 A P - 0 0 32 0, 0.0 -17,-2.6 0, 0.0 2,-0.2 -0.562 30.8-138.2 -84.9 153.6 27.6 -2.4 48.6 190 190 A L E -f 172 0A 0 -19,-0.2 35,-3.0 -2,-0.2 2,-0.5 -0.666 7.6-133.1-108.8 168.6 30.0 -3.8 46.1 191 191 A V E -fg 173 225A 1 -19,-2.3 -17,-2.4 -2,-0.2 2,-0.4 -0.989 22.2-145.7-118.8 114.9 30.0 -6.1 43.2 192 192 A F E - g 0 226A 2 33,-2.7 35,-2.7 -2,-0.5 2,-0.3 -0.760 24.9-120.5 -84.0 133.0 32.8 -8.7 43.4 193 193 A R > - 0 0 34 -2,-0.4 3,-1.8 -19,-0.4 8,-0.1 -0.605 6.9-145.4 -84.8 132.0 34.0 -9.5 39.9 194 194 A W T 3 S+ 0 0 7 -2,-0.3 35,-0.2 1,-0.3 -1,-0.1 0.772 101.4 59.4 -58.9 -28.4 34.0 -13.0 38.3 195 195 A D T 3 S+ 0 0 10 33,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.452 91.8 84.1 -82.6 -1.2 37.2 -12.1 36.5 196 196 A D S < S- 0 0 21 -3,-1.8 2,-0.1 1,-0.1 -21,-0.0 -0.693 86.0-104.8 -98.6 160.2 39.1 -11.4 39.7 197 197 A S > - 0 0 20 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.357 26.3-113.5 -79.0 160.3 40.8 -14.1 41.8 198 198 A N H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.759 116.3 55.0 -63.5 -28.7 39.4 -15.3 45.0 199 199 A A H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 107.9 47.3 -75.0 -41.0 42.3 -13.8 46.9 200 200 A Q H > S+ 0 0 57 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.945 112.2 50.4 -64.2 -45.0 41.7 -10.4 45.5 201 201 A R H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.938 110.5 49.2 -56.1 -49.7 38.0 -10.6 46.3 202 202 A K H X S+ 0 0 124 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.907 111.5 51.0 -56.5 -41.2 38.7 -11.7 49.8 203 203 A E H X S+ 0 0 88 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.966 111.3 45.8 -59.5 -53.6 41.2 -8.8 50.2 204 204 A Y H X S+ 0 0 16 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.944 111.7 52.8 -55.1 -50.8 38.7 -6.3 48.9 205 205 A A H X S+ 0 0 19 -4,-3.3 4,-1.9 -5,-0.2 -1,-0.2 0.911 111.7 46.5 -55.0 -40.7 36.0 -7.8 51.2 206 206 A G H X S+ 0 0 37 -4,-2.7 4,-2.0 -5,-0.2 5,-0.2 0.935 111.9 49.8 -68.8 -43.9 38.4 -7.4 54.1 207 207 A L H X S+ 0 0 39 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.958 109.9 51.1 -55.6 -54.2 39.3 -3.9 53.2 208 208 A Y H X S+ 0 0 3 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.906 109.2 51.3 -50.0 -48.1 35.7 -2.9 52.9 209 209 A H H X S+ 0 0 80 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.887 113.2 43.0 -59.2 -44.4 34.8 -4.3 56.3 210 210 A E H X S+ 0 0 128 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.896 116.5 45.3 -73.0 -40.6 37.5 -2.5 58.2 211 211 A V H X S+ 0 0 19 -4,-2.7 4,-0.8 -5,-0.2 -2,-0.2 0.944 114.5 50.3 -68.9 -42.8 37.1 0.8 56.5 212 212 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.5 -5,-0.3 3,-0.5 0.907 110.3 46.4 -59.4 -51.4 33.4 0.7 56.8 213 213 A Q H ><5S+ 0 0 92 -4,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.931 109.2 54.6 -61.9 -43.8 33.2 -0.1 60.5 214 214 A A H 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.781 107.3 54.6 -61.9 -21.2 35.7 2.5 61.3 215 215 A H T <<5S- 0 0 108 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.198 121.3-105.7 -96.4 16.1 33.4 4.8 59.5 216 216 A G T < 5 + 0 0 72 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.573 68.4 154.6 75.1 6.9 30.3 4.0 61.6 217 217 A V < - 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