==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE ACTIVATOR 20-FEB-08 3CAN . COMPND 2 MOLECULE: PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS ATCC 8482; . AUTHOR B.NOCEK,R.HENDRICKS,C.HATZOS,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDW . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 0 1 1 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 7 A G 0 0 139 0, 0.0 2,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 -30.6 13.8 -9.2 12.8 2 8 A G - 0 0 66 28,-0.0 29,-0.5 2,-0.0 2,-0.3 -0.470 360.0-172.3 75.5-150.7 13.0 -9.5 16.6 3 9 A G - 0 0 51 27,-0.1 2,-0.4 -2,-0.1 29,-0.2 -0.984 33.4 -43.2 155.8-156.0 15.3 -11.4 18.8 4 10 A V E -a 32 0A 37 27,-2.9 29,-2.3 -2,-0.3 2,-0.4 -0.910 43.6-171.1-115.3 141.1 15.5 -12.7 22.4 5 11 A T E -a 33 0A 76 -2,-0.4 2,-0.5 27,-0.2 29,-0.2 -0.998 11.5-155.0-129.6 134.1 14.5 -10.8 25.5 6 12 A F E -a 34 0A 35 27,-2.2 29,-2.5 -2,-0.4 2,-0.3 -0.937 24.1-174.8-104.5 130.6 15.1 -11.7 29.2 7 13 A C + 0 0 75 -2,-0.5 3,-0.2 27,-0.2 5,-0.1 -0.927 32.3 3.1-125.7 150.0 12.5 -10.1 31.5 8 14 A G S S- 0 0 31 -2,-0.3 4,-0.5 1,-0.2 30,-0.2 -0.143 92.1 -53.7 78.3-172.0 11.9 -9.9 35.2 9 15 A G S > S+ 0 0 28 1,-0.1 4,-0.6 2,-0.1 3,-0.4 0.818 113.5 69.9 -79.6 -33.5 13.7 -11.1 38.3 10 16 A E T >4 S+ 0 0 116 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.894 94.2 52.3 -62.9 -46.4 14.1 -14.8 37.6 11 17 A P G >4 S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 7,-0.3 0.884 105.0 59.1 -56.4 -33.2 16.7 -14.8 34.8 12 18 A L G 34 S+ 0 0 14 -4,-0.5 -2,-0.2 -3,-0.4 28,-0.1 0.644 93.6 64.9 -72.2 -15.3 18.9 -12.5 36.9 13 19 A L G << S+ 0 0 125 -3,-1.7 -1,-0.3 -4,-0.6 3,-0.1 0.467 102.8 50.6 -82.6 -3.7 19.0 -15.2 39.6 14 20 A H S <> S+ 0 0 85 -3,-1.7 4,-2.8 -4,-0.3 -1,-0.2 -0.523 71.3 157.5-125.0 61.2 20.9 -17.4 37.1 15 21 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.869 71.7 47.4 -62.2 -41.0 23.6 -14.9 36.1 16 22 A E H > S+ 0 0 162 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.923 115.5 47.1 -63.3 -44.4 26.2 -17.4 34.7 17 23 A F H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 109.8 53.4 -59.9 -46.9 23.5 -19.2 32.8 18 24 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 -7,-0.3 -2,-0.2 0.939 110.1 47.2 -54.8 -49.9 22.1 -15.8 31.4 19 25 A I H X S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.903 111.0 52.2 -62.3 -40.1 25.6 -14.8 30.1 20 26 A D H X S+ 0 0 64 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.940 112.1 44.6 -61.0 -46.6 26.0 -18.3 28.5 21 27 A I H X S+ 0 0 41 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.926 112.4 52.6 -65.6 -43.2 22.7 -18.1 26.7 22 28 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.930 109.3 49.5 -56.8 -45.4 23.5 -14.5 25.7 23 29 A K H X S+ 0 0 98 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.934 111.0 49.3 -58.7 -45.9 26.8 -15.6 24.3 24 30 A R H X S+ 0 0 144 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.908 111.3 49.2 -60.3 -43.7 25.2 -18.5 22.3 25 31 A C H <>S+ 0 0 21 -4,-2.6 5,-2.4 1,-0.2 4,-0.2 0.886 107.6 55.3 -64.0 -38.4 22.6 -16.1 20.9 26 32 A G H ><5S+ 0 0 28 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.903 103.7 54.4 -60.6 -41.7 25.3 -13.6 19.8 27 33 A Q H 3<5S+ 0 0 165 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.868 108.4 49.2 -60.5 -37.4 27.1 -16.3 17.9 28 34 A Q T 3<5S- 0 0 160 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.408 117.5-115.0 -84.6 1.8 23.9 -17.0 15.9 29 35 A G T < 5 + 0 0 70 -3,-1.5 2,-0.4 -4,-0.2 -3,-0.2 0.739 62.0 153.1 75.4 23.2 23.4 -13.2 15.2 30 36 A I < - 0 0 71 -5,-2.4 -1,-0.2 -6,-0.1 -27,-0.1 -0.724 48.3-116.2 -91.2 130.5 20.3 -12.9 17.3 31 37 A H - 0 0 86 -29,-0.5 -27,-2.9 -2,-0.4 2,-0.4 -0.450 33.4-153.3 -65.2 139.4 19.5 -9.5 18.8 32 38 A R E +a 4 0A 25 -29,-0.2 21,-2.4 -2,-0.1 22,-1.2 -0.972 18.5 178.6-127.9 126.9 19.5 -9.6 22.6 33 39 A A E -ab 5 54A 4 -29,-2.3 -27,-2.2 -2,-0.4 2,-0.4 -0.982 10.6-166.5-124.2 139.6 17.7 -7.4 25.2 34 40 A V E -ab 6 55A 0 20,-2.0 22,-2.4 -2,-0.4 2,-0.7 -0.986 20.2-137.3-134.3 126.6 18.0 -7.9 28.9 35 41 A D E + b 0 56A 8 -29,-2.5 22,-0.2 -2,-0.4 3,-0.2 -0.723 27.4 170.7 -76.1 111.8 16.0 -6.5 31.8 36 42 A T > + 0 0 0 20,-1.8 3,-1.8 -2,-0.7 21,-0.2 0.162 35.5 120.8-110.1 15.9 18.6 -5.6 34.5 37 43 A T T 3 S+ 0 0 9 19,-0.6 44,-0.2 1,-0.3 -1,-0.1 0.891 83.7 33.1 -46.0 -51.7 16.2 -3.7 36.8 38 44 A L T 3 S+ 0 0 79 -3,-0.2 2,-0.4 -30,-0.2 -1,-0.3 0.214 82.1 132.2 -97.7 14.2 16.9 -6.0 39.8 39 45 A L < - 0 0 8 -3,-1.8 42,-0.1 1,-0.2 -3,-0.1 -0.543 34.9-169.9 -71.5 120.8 20.6 -6.9 39.1 40 46 A A + 0 0 73 -2,-0.4 2,-0.5 -28,-0.1 -1,-0.2 0.914 59.9 67.0 -78.8 -44.4 22.5 -6.4 42.4 41 47 A R >> - 0 0 133 1,-0.1 4,-1.7 2,-0.0 3,-0.8 -0.675 63.3-150.8 -98.7 127.0 26.1 -6.6 41.3 42 48 A K H 3> S+ 0 0 130 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.839 97.6 59.2 -59.8 -34.5 27.8 -4.1 39.1 43 49 A E H 3> S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.853 106.5 50.0 -63.6 -32.0 30.3 -6.6 37.7 44 50 A T H <> S+ 0 0 13 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.892 107.4 51.8 -73.5 -39.9 27.2 -8.6 36.4 45 51 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.934 111.0 50.0 -58.4 -44.7 25.7 -5.5 34.8 46 52 A D H X S+ 0 0 41 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.916 111.5 46.9 -60.4 -44.1 29.0 -5.0 33.1 47 53 A E H X S+ 0 0 55 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.879 110.1 53.0 -68.1 -38.6 29.2 -8.6 31.8 48 54 A V H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.946 107.1 52.9 -59.7 -45.6 25.6 -8.5 30.6 49 55 A X H >< S+ 0 0 18 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.849 103.6 56.8 -59.7 -33.4 26.4 -5.3 28.6 50 56 A R H 3< S+ 0 0 157 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.684 113.3 42.1 -68.4 -14.1 29.3 -7.1 27.0 51 57 A N T << S+ 0 0 19 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.2 -0.043 110.1 49.3-130.1 30.2 26.9 -9.8 25.7 52 58 A C < - 0 0 9 -3,-0.9 -19,-0.2 1,-0.1 3,-0.1 -0.965 63.7-131.4-157.1 175.0 23.8 -7.9 24.5 53 59 A E S S+ 0 0 73 -21,-2.4 2,-0.3 1,-0.3 -20,-0.2 0.632 85.8 16.0-100.0 -22.8 22.5 -5.1 22.4 54 60 A L E -b 33 0A 15 -22,-1.2 -20,-2.0 36,-0.1 2,-0.4 -0.984 59.2-142.4-159.2 136.9 20.1 -3.3 24.7 55 61 A L E -bc 34 92A 0 36,-2.0 38,-2.4 -2,-0.3 2,-0.4 -0.834 12.6-156.4-102.9 147.7 19.2 -3.0 28.4 56 62 A L E -bc 35 93A 9 -22,-2.4 -20,-1.8 -2,-0.4 -19,-0.6 -0.984 13.6-179.9-120.0 128.6 15.6 -2.6 29.7 57 63 A I E - c 0 94A 0 36,-2.4 38,-2.2 -2,-0.4 2,-0.4 -0.995 20.1-139.5-133.4 133.6 15.0 -1.1 33.1 58 64 A D E - c 0 95A 34 -2,-0.4 2,-0.4 36,-0.2 38,-0.2 -0.705 10.4-169.4 -85.0 135.6 11.7 -0.5 34.8 59 65 A L + 0 0 0 36,-2.8 3,-0.1 -2,-0.4 53,-0.0 -0.738 17.1 164.5-122.7 80.2 11.3 2.8 36.7 60 66 A K - 0 0 60 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.853 64.3 -10.1 -70.0 -35.9 8.0 2.2 38.7 61 67 A S - 0 0 4 -3,-0.1 -1,-0.2 1,-0.1 42,-0.1 -0.955 38.4-145.7-163.0 145.1 8.5 5.1 41.1 62 68 A X S S+ 0 0 42 -2,-0.3 2,-0.8 -3,-0.1 -1,-0.1 0.596 89.6 87.1 -80.1 -14.7 10.9 7.6 42.4 63 69 A D > - 0 0 81 1,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.793 69.1-158.9 -86.5 109.4 9.3 7.1 45.8 64 70 A S H > S+ 0 0 25 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.808 91.2 56.2 -62.3 -28.8 11.1 4.2 47.4 65 71 A T H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.9 45.7 -69.3 -44.0 8.1 3.5 49.7 66 72 A V H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.943 114.0 50.8 -59.0 -46.4 5.8 3.2 46.7 67 73 A H H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 6,-0.7 0.904 110.4 48.0 -60.1 -42.7 8.4 1.0 45.1 68 74 A Q H X S+ 0 0 82 -4,-2.6 4,-1.6 4,-0.2 -1,-0.2 0.878 111.1 52.0 -65.3 -38.8 8.7 -1.3 48.2 69 75 A T H < S+ 0 0 98 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 122.7 27.7 -64.2 -42.2 5.0 -1.6 48.5 70 76 A F H < S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.620 134.2 30.8 -99.2 -17.2 4.4 -2.7 44.8 71 77 A C H < S- 0 0 25 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.455 92.4-127.5-121.2 -5.4 7.8 -4.4 44.1 72 78 A D S < S+ 0 0 139 -4,-1.6 -4,-0.2 -5,-0.3 -3,-0.1 0.724 85.0 82.1 61.0 22.0 8.9 -5.7 47.5 73 79 A V S S- 0 0 38 -6,-0.7 -2,-0.2 -9,-0.1 -1,-0.1 -0.989 82.1-114.0-151.1 143.7 12.2 -3.9 47.0 74 80 A P - 0 0 55 0, 0.0 4,-0.3 0, 0.0 3,-0.3 -0.322 26.1-124.2 -69.7 167.8 13.4 -0.4 47.5 75 81 A N S > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.476 85.5 97.8 -93.3 -1.6 14.4 1.7 44.4 76 82 A E H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 89.2 42.7 -54.3 -46.7 17.9 2.6 45.5 77 83 A L H > S+ 0 0 46 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.869 110.4 56.4 -66.8 -38.9 19.5 -0.3 43.5 78 84 A I H > S+ 0 0 0 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.940 109.9 45.5 -59.1 -46.0 17.2 0.4 40.5 79 85 A L H X S+ 0 0 34 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.890 111.4 52.2 -66.6 -40.6 18.5 4.0 40.3 80 86 A K H X S+ 0 0 130 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.921 109.9 49.7 -58.3 -44.6 22.1 2.9 40.8 81 87 A N H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.869 108.9 50.7 -65.0 -39.5 21.7 0.5 37.9 82 88 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.939 111.8 48.3 -64.2 -44.8 20.2 3.1 35.6 83 89 A R H X S+ 0 0 92 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.917 110.0 52.8 -60.7 -41.2 23.1 5.4 36.4 84 90 A R H X S+ 0 0 77 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.916 110.6 45.7 -62.9 -43.9 25.6 2.7 35.7 85 91 A V H <>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 3,-0.2 0.918 113.6 50.0 -64.0 -43.5 24.3 1.9 32.3 86 92 A A H ><5S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.909 110.3 49.6 -59.8 -44.1 24.1 5.6 31.4 87 93 A E H 3<5S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.740 105.0 58.8 -69.4 -23.4 27.7 6.1 32.5 88 94 A A T 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.448 109.3-126.6 -80.2 -2.5 28.8 3.1 30.4 89 95 A D T < 5 + 0 0 112 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.903 60.2 146.5 54.5 47.2 27.4 4.9 27.4 90 96 A F < - 0 0 36 -5,-1.6 -1,-0.2 31,-0.1 2,-0.1 -0.895 54.7 -99.6-118.6 141.0 25.2 1.8 26.6 91 97 A P + 0 0 34 0, 0.0 -36,-2.0 0, 0.0 2,-0.3 -0.371 49.4 165.7 -65.3 134.1 21.8 1.8 25.0 92 98 A Y E -c 55 0A 0 30,-0.3 32,-3.1 -38,-0.2 33,-0.5 -0.992 27.7-145.6-145.1 152.9 18.8 1.4 27.3 93 99 A Y E -cd 56 125A 82 -38,-2.4 -36,-2.4 -2,-0.3 2,-0.5 -0.914 14.0-146.5-110.2 145.6 15.1 1.7 27.4 94 100 A I E -cd 57 126A 0 31,-2.1 33,-2.8 -2,-0.4 2,-0.4 -0.949 11.6-161.5-109.8 130.7 13.1 2.8 30.5 95 101 A R E -cd 58 127A 49 -38,-2.2 -36,-2.8 -2,-0.5 33,-0.2 -0.949 6.6-172.7-112.5 132.2 9.7 1.4 31.1 96 102 A I E - d 0 128A 0 31,-2.9 33,-2.5 -2,-0.4 2,-0.5 -0.923 16.6-149.2-124.2 100.6 7.1 3.0 33.4 97 103 A P E - d 0 129A 36 0, 0.0 2,-0.7 0, 0.0 31,-0.1 -0.652 27.2-141.9 -65.4 119.7 4.0 1.0 34.0 98 104 A L E + d 0 130A 0 31,-2.1 33,-2.6 -2,-0.5 2,-0.5 -0.842 26.7 175.3-104.3 112.3 1.7 4.0 34.5 99 105 A I >>> - 0 0 15 -2,-0.7 3,-2.2 31,-0.2 4,-2.2 -0.968 29.9-132.2-126.3 114.1 -0.9 3.5 37.2 100 106 A E B 345S+F 137 0B 52 37,-2.2 37,-2.0 -2,-0.5 -2,-0.0 -0.549 100.8 27.4 -64.8 125.0 -3.4 6.3 38.3 101 107 A G T 345S+ 0 0 43 -2,-0.3 -1,-0.3 35,-0.2 35,-0.1 0.186 125.2 49.0 101.5 -11.3 -3.2 6.2 42.1 102 108 A V T <45S- 0 0 16 -3,-2.2 -2,-0.2 35,-0.2 34,-0.1 0.714 128.6 -15.2-120.8 -50.8 0.4 4.9 42.2 103 109 A N T <5S+ 0 0 1 -4,-2.2 -3,-0.2 -42,-0.1 -41,-0.1 0.279 99.8 94.2-150.8 12.2 2.9 6.8 40.0 104 110 A A < + 0 0 8 -5,-1.0 -4,-0.1 4,-0.1 2,-0.1 0.320 57.2 121.3 -95.4 6.7 1.1 9.0 37.4 105 111 A D S > S- 0 0 76 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.423 74.7-119.7 -68.2 146.2 1.2 12.1 39.6 106 112 A E H > S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.870 111.9 57.7 -54.4 -40.8 3.0 15.1 38.1 107 113 A K H > S+ 0 0 150 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.960 108.3 43.9 -57.7 -52.7 5.5 15.0 41.0 108 114 A N H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 115.5 47.6 -61.2 -42.0 6.7 11.4 40.3 109 115 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.904 113.3 48.2 -69.2 -39.4 6.9 11.9 36.6 110 116 A K H X S+ 0 0 72 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.927 112.2 48.5 -64.2 -43.6 8.8 15.2 37.0 111 117 A L H X S+ 0 0 69 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.905 112.5 50.2 -62.5 -39.7 11.3 13.6 39.5 112 118 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.926 111.6 47.3 -61.1 -46.9 11.7 10.7 37.0 113 119 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.904 111.3 51.1 -62.6 -43.3 12.4 13.1 34.1 114 120 A E H X S+ 0 0 94 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.894 111.5 47.7 -63.9 -39.5 14.9 15.1 36.2 115 121 A F H X S+ 0 0 23 -4,-2.2 4,-0.5 -5,-0.2 3,-0.4 0.976 117.2 41.3 -63.0 -53.7 16.7 12.0 37.2 116 122 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.890 112.0 54.3 -64.6 -42.6 16.9 10.7 33.6 117 123 A A H 3< S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 103.6 58.2 -62.3 -29.7 17.6 14.0 32.0 118 124 A S H 3< S+ 0 0 75 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.632 84.6 102.8 -76.2 -14.8 20.6 14.5 34.3 119 125 A L S << S- 0 0 5 -3,-1.3 3,-0.1 -4,-0.5 -36,-0.1 -0.389 80.5-123.2 -75.2 148.9 22.3 11.2 33.1 120 126 A P S S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.699 103.7 32.8 -67.3 -23.2 25.2 11.4 30.7 121 127 A R S S- 0 0 60 -5,-0.1 -31,-0.1 -38,-0.1 -33,-0.1 -0.991 84.3-144.6-128.9 127.3 23.4 9.2 28.2 122 128 A H - 0 0 75 -2,-0.4 -30,-0.3 1,-0.1 -5,-0.1 -0.455 33.1 -86.7 -81.0 163.1 19.6 9.4 28.0 123 129 A P - 0 0 5 0, 0.0 34,-0.4 0, 0.0 -30,-0.2 -0.332 29.3-125.1 -63.5 149.6 17.3 6.4 27.4 124 130 A E S S- 0 0 77 -32,-3.1 2,-0.3 1,-0.3 -31,-0.2 0.884 91.9 -14.6 -56.9 -41.4 16.7 5.5 23.7 125 131 A I E -d 93 0A 36 -33,-0.5 -31,-2.1 2,-0.0 2,-0.5 -0.970 59.4-134.9-158.5 151.5 13.0 5.7 24.6 126 132 A I E -de 94 158A 0 31,-1.6 33,-2.4 -2,-0.3 2,-0.7 -0.984 23.5-153.7-110.7 116.8 10.8 5.9 27.7 127 133 A N E -de 95 159A 7 -33,-2.8 -31,-2.9 -2,-0.5 2,-0.6 -0.841 2.3-159.1 -95.1 112.2 7.8 3.6 27.3 128 134 A L E -de 96 160A 0 31,-3.1 33,-3.3 -2,-0.7 -33,-0.0 -0.839 8.8-166.0 -87.9 119.1 4.7 4.6 29.3 129 135 A L E -d 97 0A 58 -33,-2.5 -31,-2.1 -2,-0.6 3,-0.1 -0.846 13.7-141.1-112.2 93.1 2.6 1.5 29.7 130 136 A P E -d 98 0A 23 0, 0.0 2,-0.2 0, 0.0 -31,-0.2 -0.267 23.1-111.3 -59.0 136.8 -0.9 2.4 31.0 131 137 A Y - 0 0 63 -33,-2.6 2,-0.4 6,-0.3 -31,-0.1 -0.457 33.4-171.5 -67.7 132.7 -2.4 0.1 33.5 132 138 A H 0 0 132 -2,-0.2 5,-0.1 6,-0.1 -33,-0.0 -0.984 360.0 360.0-130.6 119.9 -5.3 -1.9 32.2 133 139 A D 0 0 179 -2,-0.4 -1,-0.1 3,-0.1 4,-0.1 -0.047 360.0 360.0 164.6 360.0 -7.3 -4.0 34.7 134 ! 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 0.0 135 158 A K 0 0 154 0, 0.0 2,-0.4 0, 0.0 -36,-0.0 0.000 360.0 360.0 360.0 153.1 -6.2 2.8 44.0 136 159 A X + 0 0 79 -35,-0.1 2,-0.3 -34,-0.1 -35,-0.2 -0.882 360.0 149.4-136.4 102.8 -5.0 1.3 40.7 137 160 A Q B -F 100 0B 102 -37,-2.0 -37,-2.2 -2,-0.4 -6,-0.3 -0.865 52.8 -92.2-129.7 160.8 -6.8 2.6 37.7 138 161 A T - 0 0 54 -2,-0.3 2,-0.1 -39,-0.2 -39,-0.1 -0.576 49.7-115.8 -67.8 128.6 -6.0 3.2 34.0 139 162 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -41,-0.0 -0.485 34.2-106.1 -68.0 142.2 -4.7 6.8 33.6 140 163 A S > - 0 0 59 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.172 27.3-109.0 -59.1 158.7 -7.0 9.0 31.5 141 164 A E H > S+ 0 0 151 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 122.2 55.2 -55.5 -37.6 -5.9 10.0 28.0 142 165 A E H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 109.1 44.9 -63.4 -47.4 -5.3 13.5 29.4 143 166 A V H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 111.0 54.2 -63.1 -45.4 -3.0 12.3 32.1 144 167 A Q H X S+ 0 0 29 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.930 112.2 43.7 -53.7 -47.8 -1.1 10.0 29.7 145 168 A Q H X S+ 0 0 102 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.844 109.9 55.8 -69.6 -35.1 -0.5 12.9 27.3 146 169 A Q H X S+ 0 0 93 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.898 108.2 49.6 -60.8 -39.7 0.5 15.2 30.3 147 170 A C H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.909 110.5 49.3 -66.3 -42.5 3.1 12.6 31.3 148 171 A I H X S+ 0 0 23 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.913 110.6 51.3 -60.3 -43.0 4.4 12.5 27.7 149 172 A Q H X S+ 0 0 103 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.905 107.8 51.9 -61.9 -44.4 4.6 16.3 27.6 150 173 A I H X S+ 0 0 20 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.953 112.2 44.9 -56.2 -52.4 6.6 16.4 30.9 151 174 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.5 0.921 114.3 49.4 -61.1 -42.5 9.2 14.0 29.7 152 175 A T H ><5S+ 0 0 69 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.894 105.4 58.0 -61.3 -42.6 9.4 15.8 26.3 153 176 A D H 3<5S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.779 103.9 52.6 -59.4 -29.4 9.8 19.1 28.1 154 177 A Y T <<5S- 0 0 82 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.292 125.8-102.3 -90.0 8.0 12.9 17.7 29.9 155 178 A G T < 5S+ 0 0 52 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.656 78.4 133.5 82.9 20.7 14.4 16.7 26.5 156 179 A L < - 0 0 8 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.649 57.6-120.0-103.9 155.1 13.6 13.0 26.8 157 180 A K + 0 0 138 -34,-0.4 -31,-1.6 -2,-0.2 2,-0.3 -0.863 42.4 168.4 -96.7 121.1 12.1 10.7 24.2 158 181 A A E +e 126 0A 21 -2,-0.6 2,-0.3 -33,-0.2 -31,-0.2 -0.956 12.7 172.9-138.2 151.9 8.8 9.1 25.4 159 182 A T E -e 127 0A 60 -33,-2.4 -31,-3.1 -2,-0.3 2,-0.5 -0.964 34.3-109.0-150.4 160.8 5.9 7.2 24.0 160 183 A I E S+e 128 0A 53 -2,-0.3 -31,-0.2 -33,-0.2 -33,-0.1 -0.842 85.1 12.1 -92.9 131.1 2.8 5.3 25.1 161 184 A G 0 0 25 -33,-3.3 -33,-0.2 -2,-0.5 -2,-0.1 -0.157 360.0 360.0 90.8 171.8 3.0 1.6 24.7 162 185 A G 0 0 101 -35,-0.1 -1,-0.2 -2,-0.1 -35,-0.1 0.345 360.0 360.0 -77.9 360.0 6.0 -0.8 24.1