==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-DEC-07 2VJK . COMPND 2 MOLECULE: FORMYL-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR C.L.BERTHOLD,C.G.TOYOTA,N.G.J.RICHARDS,Y.LINDQVIST . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.2 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 55 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 7 4 0 6 4 3 2 3 0 4 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 PARALLEL BRIDGES PER LADDER . 3 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 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 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 T 0 0 113 0, 0.0 612,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -56.4 -61.7 27.5 -2.2 2 3 A K > - 0 0 26 27,-0.1 3,-1.5 1,-0.1 26,-0.1 -0.926 360.0-122.3-106.3 144.2 -58.6 26.4 -0.3 3 4 A P T 3 S+ 0 0 1 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.789 107.5 32.4 -52.5 -39.6 -57.2 22.9 -1.0 4 5 A L T > S+ 0 0 0 24,-2.8 3,-2.2 21,-0.2 27,-0.3 0.136 78.9 142.1-112.7 16.3 -57.4 21.6 2.5 5 6 A D T < S+ 0 0 64 -3,-1.5 25,-0.2 23,-0.3 3,-0.1 -0.392 76.5 20.8 -53.1 130.4 -60.5 23.5 3.8 6 7 A G T 3 S+ 0 0 63 23,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.468 90.1 128.3 85.2 2.7 -62.4 21.1 6.1 7 8 A I < - 0 0 15 -3,-2.2 24,-2.7 22,-0.2 2,-0.6 -0.847 49.2-149.5 -94.5 117.6 -59.4 18.8 6.7 8 9 A N E -a 31 0A 37 -2,-0.7 82,-3.3 80,-0.2 83,-1.9 -0.775 11.1-164.3 -92.7 118.4 -59.0 18.3 10.5 9 10 A V E -ab 32 91A 2 22,-3.0 24,-2.5 -2,-0.6 2,-0.8 -0.900 13.2-155.3-108.4 120.9 -55.4 17.7 11.6 10 11 A L E -ab 33 92A 5 81,-2.9 83,-2.2 -2,-0.5 2,-0.7 -0.860 24.9-160.6 -90.8 107.8 -54.5 16.3 15.0 11 12 A D E +ab 34 93A 0 22,-2.6 24,-3.2 -2,-0.8 83,-0.2 -0.816 32.8 160.7-109.0 104.3 -51.0 17.7 15.3 12 13 A F + 0 0 5 81,-2.7 83,-0.2 -2,-0.7 82,-0.2 0.407 41.5 129.3 -89.5 -2.2 -48.6 16.1 17.9 13 14 A T + 0 0 1 80,-0.5 2,-0.3 5,-0.1 29,-0.1 -0.155 32.1 178.3 -71.6 153.4 -45.5 17.6 16.1 14 15 A H > + 0 0 62 81,-0.1 4,-0.5 28,-0.1 2,-0.2 -0.873 46.6 11.0-142.8 170.4 -42.7 19.5 17.7 15 16 A V T 4 S- 0 0 24 -2,-0.3 27,-0.0 1,-0.1 -2,-0.0 -0.370 109.6 -37.8 55.3-120.7 -39.4 21.3 16.8 16 17 A Q T > S+ 0 0 16 -2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.934 119.5 46.7-106.0 -59.3 -38.9 21.6 13.0 17 18 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.917 116.1 38.7 -63.3 -53.8 -39.9 18.8 10.5 18 19 A G H X S+ 0 0 0 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.949 116.5 50.1 -63.2 -53.1 -43.4 18.0 11.7 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.851 107.4 55.6 -57.0 -34.9 -44.5 21.5 12.5 20 21 A A H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 110.0 46.9 -58.3 -49.5 -43.3 22.7 9.0 21 22 A C H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.960 116.1 42.4 -54.3 -55.4 -45.5 20.1 7.4 22 23 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.815 112.0 55.0 -70.2 -29.2 -48.6 21.0 9.5 23 24 A Q H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.910 108.9 47.6 -65.7 -42.6 -48.0 24.7 9.2 24 25 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.879 110.1 51.9 -68.6 -37.2 -48.0 24.4 5.4 25 26 A M H <>S+ 0 0 1 -4,-2.0 5,-2.5 2,-0.2 -1,-0.2 0.913 109.1 52.4 -58.7 -44.7 -51.2 22.3 5.6 26 27 A G H ><5S+ 0 0 3 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.887 105.4 53.6 -53.6 -43.3 -52.5 25.2 7.7 27 28 A F H 3<5S+ 0 0 1 -4,-2.1 366,-0.3 1,-0.3 -1,-0.2 0.828 106.2 53.3 -63.9 -32.7 -51.5 27.7 4.9 28 29 A L T 3<5S- 0 0 0 -4,-1.5 -24,-2.8 -3,-0.2 -23,-0.3 0.239 133.8 -88.4 -88.6 10.5 -53.5 25.6 2.4 29 30 A G T < 5S+ 0 0 17 -3,-1.6 -23,-0.5 1,-0.3 -3,-0.2 0.351 75.3 147.9 108.8 -2.8 -56.6 25.8 4.6 30 31 A A < - 0 0 10 -5,-2.5 2,-1.0 -25,-0.2 -1,-0.3 -0.291 51.0-122.4 -67.2 148.5 -56.3 22.8 7.0 31 32 A N E -a 8 0A 61 -24,-2.7 -22,-3.0 -27,-0.3 2,-0.5 -0.816 35.8-167.2 -91.0 100.4 -57.7 23.0 10.6 32 33 A V E -a 9 0A 3 -2,-1.0 35,-2.1 33,-0.4 2,-0.6 -0.815 14.3-171.3 -99.6 121.8 -54.6 22.3 12.7 33 34 A I E -ac 10 67A 14 -24,-2.5 -22,-2.6 -2,-0.5 2,-0.6 -0.940 15.4-153.6-112.2 107.5 -54.9 21.5 16.4 34 35 A K E -ac 11 68A 1 33,-3.6 35,-2.4 -2,-0.6 2,-0.5 -0.739 1.8-150.5 -90.5 117.3 -51.5 21.4 17.9 35 36 A I E - c 0 69A 10 -24,-3.2 2,-0.3 -2,-0.6 35,-0.2 -0.764 22.4-176.9 -86.8 128.3 -51.1 19.2 21.1 36 37 A E E - c 0 70A 5 33,-2.6 35,-2.5 -2,-0.5 2,-0.1 -0.891 30.9 -99.6-130.4 154.6 -48.4 20.5 23.4 37 38 A R > - 0 0 165 -2,-0.3 4,-1.4 33,-0.2 35,-0.1 -0.456 52.2 -98.0 -69.1 140.6 -46.8 19.4 26.7 38 39 A R T 4 S- 0 0 81 33,-0.2 2,-1.9 1,-0.2 3,-0.1 -0.302 95.7 -1.4 -61.1 140.3 -48.1 21.3 29.7 39 40 A G T 4 S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.1 361,-0.1 -0.361 137.9 39.8 83.6 -59.4 -46.1 24.3 31.1 40 41 A S T 4 S- 0 0 74 -2,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.806 83.5-176.7 -94.6 -36.3 -43.2 24.2 28.6 41 42 A G < - 0 0 4 -4,-1.4 2,-0.2 -3,-0.1 -1,-0.1 -0.219 57.2 -0.9 68.7-162.6 -45.0 23.4 25.3 42 43 A D S > S- 0 0 6 1,-0.1 3,-2.2 -29,-0.1 4,-0.3 -0.450 75.6-128.8 -54.5 125.4 -43.1 22.8 22.0 43 44 A M G > S+ 0 0 100 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.707 103.1 73.5 -55.9 -25.7 -39.4 23.4 23.0 44 45 A T G > S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 15,-0.7 0.790 81.6 73.1 -60.9 -25.5 -39.0 25.9 20.1 45 46 A R G < S+ 0 0 9 -3,-2.2 11,-1.8 1,-0.2 -1,-0.2 0.875 108.4 30.8 -51.6 -41.4 -41.0 28.3 22.2 46 47 A G G < S+ 0 0 43 -3,-1.1 2,-0.5 -4,-0.3 3,-0.4 0.299 99.6 99.9-104.8 7.1 -38.1 28.8 24.5 47 48 A W S < S- 0 0 51 -3,-0.8 11,-0.4 -4,-0.4 12,-0.2 -0.858 95.6 -7.0-100.3 128.3 -35.2 28.3 22.1 48 49 A L S S- 0 0 18 -2,-0.5 9,-0.4 1,-0.2 10,-0.2 0.843 82.9-176.7 63.1 39.3 -33.3 31.3 20.5 49 50 A Q - 0 0 79 -3,-0.4 -1,-0.2 7,-0.2 7,-0.1 -0.399 23.4-161.1 -67.6 141.3 -35.7 33.9 22.0 50 51 A D S S+ 0 0 28 1,-0.3 -1,-0.1 5,-0.1 5,-0.1 0.634 82.7 35.0 -96.3 -20.8 -35.0 37.5 21.0 51 52 A K S > S- 0 0 134 3,-0.3 3,-1.7 4,-0.0 -1,-0.3 -0.999 98.5-101.2-131.9 136.9 -37.1 38.9 23.9 52 53 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.270 102.5 1.9 -60.0 133.7 -37.3 37.3 27.4 53 54 A N T 3 S+ 0 0 160 1,-0.2 2,-0.4 -7,-0.1 -7,-0.1 0.650 102.9 114.6 61.6 20.0 -40.5 35.3 28.0 54 55 A V S < S- 0 0 44 -3,-1.7 -3,-0.3 -9,-0.1 -1,-0.2 -0.954 80.6 -97.3-113.0 139.4 -41.9 35.9 24.5 55 56 A D - 0 0 31 -2,-0.4 -9,-0.2 1,-0.1 -10,-0.1 -0.326 49.5-111.3 -56.2 134.0 -42.2 32.9 22.1 56 57 A S > - 0 0 0 -11,-1.8 4,-2.5 -12,-0.3 3,-0.4 -0.170 14.0-116.5 -67.4 158.1 -39.2 32.7 19.9 57 58 A L H > S+ 0 0 4 -9,-0.4 4,-2.3 1,-0.2 5,-0.1 0.767 117.1 68.4 -62.5 -26.2 -39.2 33.4 16.1 58 59 A Y H 4 S+ 0 0 3 -11,-0.4 4,-0.3 -14,-0.2 -1,-0.2 0.932 109.2 34.0 -55.8 -48.0 -38.1 29.7 16.0 59 60 A F H >> S+ 0 0 0 -15,-0.7 3,-1.4 -3,-0.4 4,-0.7 0.940 117.7 50.6 -72.2 -51.2 -41.6 28.8 17.2 60 61 A T H >< S+ 0 0 4 -4,-2.5 3,-0.7 1,-0.3 4,-0.4 0.880 108.2 52.6 -63.3 -35.3 -43.7 31.6 15.6 61 62 A M T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 320,-0.2 0.571 116.6 39.9 -76.7 -8.5 -42.3 30.9 12.1 62 63 A F T <4 S+ 0 0 0 -3,-1.4 -39,-0.2 -4,-0.3 -1,-0.2 0.374 116.6 48.2-114.1 -0.3 -43.1 27.2 12.3 63 64 A N << + 0 0 0 -4,-0.7 3,-0.5 -3,-0.7 -2,-0.2 0.134 68.2 130.3-138.3 24.9 -46.5 27.4 14.0 64 65 A C S S+ 0 0 0 -4,-0.4 332,-0.2 1,-0.2 -38,-0.2 -0.350 70.6 32.0 -69.5 159.2 -48.7 30.0 12.2 65 66 A N S S+ 0 0 28 330,-2.0 -33,-0.4 331,-0.2 2,-0.3 0.858 100.2 109.5 55.1 43.5 -52.2 28.9 11.3 66 67 A K - 0 0 11 -3,-0.5 2,-0.3 330,-0.4 -1,-0.2 -0.973 58.7-141.1-139.8 153.6 -52.5 26.6 14.3 67 68 A R E -c 33 0A 33 -35,-2.1 -33,-3.6 -2,-0.3 2,-0.4 -0.898 23.1-138.0-110.0 149.4 -54.4 26.4 17.5 68 69 A S E +c 34 0A 0 -2,-0.3 335,-2.4 331,-0.2 2,-0.4 -0.912 20.5 177.4-115.9 131.0 -52.8 25.1 20.7 69 70 A I E -c 35 0A 7 -35,-2.4 -33,-2.6 -2,-0.4 2,-0.4 -0.990 24.7-134.2-125.2 138.9 -54.0 22.8 23.5 70 71 A E E +c 36 0A 37 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.740 34.0 169.4 -87.4 139.0 -52.0 21.7 26.5 71 72 A L - 0 0 8 -35,-2.5 2,-0.8 -2,-0.4 356,-0.2 -0.935 36.4-149.2-157.8 127.3 -52.3 18.0 27.2 72 73 A D - 0 0 61 354,-2.6 3,-0.4 -2,-0.3 6,-0.3 -0.895 19.0-175.1 -91.0 107.3 -50.6 15.3 29.4 73 74 A M S S+ 0 0 15 -2,-0.8 -1,-0.1 1,-0.2 6,-0.1 0.502 72.7 74.6 -86.6 -5.9 -51.1 12.3 27.2 74 75 A K S S+ 0 0 166 4,-0.1 -1,-0.2 352,-0.1 3,-0.0 -0.288 83.1 86.0 -97.0 43.0 -49.6 10.0 29.9 75 76 A T S > S- 0 0 21 -3,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.976 85.4-123.4-132.2 147.1 -52.8 10.2 32.0 76 77 A P H > S+ 0 0 102 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.854 116.3 51.2 -53.5 -35.0 -55.9 8.1 31.6 77 78 A E H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.856 108.3 50.8 -72.9 -37.3 -57.9 11.3 31.1 78 79 A G H > S+ 0 0 0 -6,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.917 109.0 50.8 -63.2 -45.2 -55.5 12.5 28.3 79 80 A K H X S+ 0 0 62 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.861 108.2 52.7 -63.0 -37.1 -55.7 9.2 26.4 80 81 A E H X S+ 0 0 96 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.877 108.0 51.4 -65.4 -39.0 -59.5 9.4 26.5 81 82 A L H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.914 106.7 54.0 -63.1 -44.3 -59.4 12.9 25.0 82 83 A L H X S+ 0 0 1 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.893 104.1 55.6 -55.2 -43.7 -57.1 11.7 22.2 83 84 A E H X S+ 0 0 39 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.889 110.1 45.3 -57.5 -42.2 -59.6 9.0 21.3 84 85 A Q H X S+ 0 0 58 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.891 115.6 46.7 -66.7 -42.1 -62.3 11.7 20.9 85 86 A M H >X S+ 0 0 15 -4,-2.3 4,-0.9 1,-0.2 3,-0.7 0.882 108.3 55.4 -68.3 -40.5 -60.0 13.9 18.9 86 87 A I H >< S+ 0 0 0 -4,-3.4 3,-0.5 1,-0.2 -1,-0.2 0.867 102.9 57.3 -59.6 -37.4 -58.8 11.0 16.7 87 88 A K H 3< S+ 0 0 111 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 110.3 43.2 -65.9 -25.8 -62.5 10.3 15.8 88 89 A K H << S+ 0 0 91 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.562 99.8 97.3 -93.6 -10.0 -62.9 13.9 14.5 89 90 A A << - 0 0 7 -4,-0.9 -80,-0.2 -3,-0.5 3,-0.1 -0.441 48.9-170.1 -85.8 150.9 -59.5 14.0 12.6 90 91 A D S S+ 0 0 27 -82,-3.3 29,-2.1 1,-0.3 2,-0.4 0.668 83.8 23.0 -96.8 -32.5 -58.7 13.4 9.0 91 92 A V E -bd 9 119A 0 -83,-1.9 -81,-2.9 27,-0.2 2,-0.4 -0.995 59.9-161.5-141.7 130.4 -54.9 13.3 9.6 92 93 A M E -bd 10 120A 0 27,-3.4 29,-3.1 -2,-0.4 2,-0.4 -0.943 16.8-169.9-105.2 134.6 -52.7 12.6 12.6 93 94 A V E +bd 11 121A 0 -83,-2.2 -81,-2.7 -2,-0.4 -80,-0.5 -0.990 10.1 166.7-128.9 130.1 -49.1 13.9 12.4 94 95 A E E - d 0 122A 9 27,-2.3 29,-1.7 -2,-0.4 -81,-0.1 -0.995 25.3-178.9-142.1 146.8 -46.3 13.2 14.8 95 96 A N + 0 0 19 -2,-0.3 -81,-0.1 27,-0.2 -77,-0.1 -0.273 40.8 134.9-137.1 49.3 -42.5 13.5 14.9 96 97 A F - 0 0 41 1,-0.2 3,-0.1 -83,-0.1 27,-0.1 -0.348 68.0 -74.4 -75.1 171.9 -41.7 12.0 18.3 97 98 A G S > S- 0 0 23 1,-0.2 3,-1.9 -2,-0.1 4,-0.3 -0.240 73.1 -65.2 -62.9 159.1 -38.8 9.5 18.7 98 99 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 -0.184 121.0 7.1 -50.6 133.6 -39.3 6.0 17.3 99 100 A G T 3> S+ 0 0 29 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 0.267 91.7 119.6 80.9 -9.6 -42.0 3.9 19.1 100 101 A A H <> S+ 0 0 20 -3,-1.9 4,-1.0 1,-0.2 -1,-0.1 0.870 74.6 45.9 -59.6 -44.6 -43.2 6.9 21.2 101 102 A L H 4>S+ 0 0 4 -4,-0.3 5,-2.0 1,-0.2 4,-0.3 0.843 112.1 52.7 -68.2 -35.0 -46.8 6.9 19.9 102 103 A D H >45S+ 0 0 81 1,-0.2 3,-1.7 3,-0.2 5,-0.2 0.900 104.7 54.9 -65.1 -42.8 -47.1 3.1 20.3 103 104 A R H 3<5S+ 0 0 185 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 101.7 58.8 -64.3 -26.4 -45.9 3.3 23.9 104 105 A M T 3<5S- 0 0 28 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.588 126.2-104.8 -72.9 -13.7 -48.8 5.8 24.6 105 106 A G T < 5S+ 0 0 41 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.2 0.571 90.0 114.5 99.4 13.5 -51.2 3.0 23.4 106 107 A F < + 0 0 5 -5,-2.0 -3,-0.1 4,-0.1 -2,-0.1 -0.636 37.3 164.8-117.7 71.2 -52.0 4.4 20.0 107 108 A T > - 0 0 41 -2,-0.5 4,-2.8 -5,-0.2 5,-0.2 -0.376 54.2-104.5 -73.6 162.6 -50.5 1.9 17.5 108 109 A W H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.876 123.2 55.6 -56.9 -37.8 -51.6 2.1 13.9 109 110 A E H > S+ 0 0 132 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.931 111.8 40.8 -60.6 -49.0 -53.7 -1.0 14.6 110 111 A Y H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.855 111.5 56.4 -70.7 -36.5 -55.6 0.7 17.4 111 112 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.885 105.6 52.1 -60.6 -40.7 -55.9 4.0 15.6 112 113 A Q H < S+ 0 0 59 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.851 107.5 52.7 -62.1 -38.8 -57.6 2.2 12.7 113 114 A E H < S+ 0 0 152 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 111.9 45.4 -59.3 -50.1 -60.0 0.7 15.2 114 115 A L H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 135.1 5.4 -61.9 -42.2 -60.8 4.2 16.5 115 116 A N >< - 0 0 18 -4,-2.5 3,-0.9 -5,-0.1 -1,-0.3 -0.817 54.9-168.0-151.6 102.8 -61.2 5.8 13.0 116 117 A P T 3 S+ 0 0 65 0, 0.0 76,-2.0 0, 0.0 -4,-0.1 0.565 92.4 51.7 -68.4 -8.1 -61.0 3.9 9.7 117 118 A R T 3 S+ 0 0 114 74,-0.3 76,-0.2 -28,-0.1 2,-0.1 0.628 85.2 106.0 -98.5 -16.3 -60.8 7.2 7.7 118 119 A V < - 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0 0 51 -2,-0.4 4,-2.2 -63,-0.2 3,-0.2 -0.295 38.2 -97.3 -76.0 168.7 -21.1 44.5 -7.9 332 333 A K H > S+ 0 0 7 -63,-0.3 4,-2.0 1,-0.2 5,-0.1 0.787 121.8 53.3 -60.7 -30.3 -23.1 41.3 -8.1 333 334 A F H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 110.2 45.9 -75.3 -39.8 -26.2 43.0 -9.5 334 335 A E H > S+ 0 0 76 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.839 112.0 51.8 -70.9 -31.8 -24.4 44.7 -12.4 335 336 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.940 111.0 48.9 -63.6 -46.1 -22.6 41.4 -13.2 336 337 A T H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.889 113.1 46.1 -58.9 -42.8 -26.0 39.7 -13.2 337 338 A E H X S+ 0 0 146 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.900 112.7 51.0 -69.1 -42.6 -27.5 42.3 -15.5 338 339 A W H >X S+ 0 0 51 -4,-2.3 3,-0.7 2,-0.2 4,-0.6 0.957 112.7 44.8 -56.6 -55.4 -24.4 42.2 -17.8 339 340 A A H >X>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 3,-1.6 0.891 107.4 59.4 -57.7 -41.4 -24.6 38.3 -18.1 340 341 A A H ><5S+ 0 0 44 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.789 93.4 66.3 -61.5 -27.7 -28.4 38.5 -18.7 341 342 A Q H <<5S+ 0 0 154 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.796 108.6 39.5 -57.6 -30.8 -27.7 40.7 -21.8 342 343 A Y H <<5S- 0 0 74 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.457 115.1-116.8 -96.7 -6.4 -26.1 37.5 -23.3 343 344 A G T <<5 + 0 0 18 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.596 62.2 154.0 77.4 13.4 -28.7 35.1 -21.9 344 345 A I < - 0 0 6 -5,-1.9 2,-0.4 1,-0.1 -1,-0.3 -0.591 52.8-112.8 -78.1 129.7 -25.9 33.5 -19.8 345 346 A P + 0 0 6 0, 0.0 -63,-2.2 0, 0.0 2,-0.3 -0.502 63.9 133.0 -66.6 121.3 -27.2 31.8 -16.6 346 347 A C E +J 281 0C 8 218,-0.4 -65,-0.2 -2,-0.4 218,-0.1 -0.929 22.7 166.4-169.5 138.9 -25.8 33.8 -13.8 347 348 A G E -J 280 0C 2 -67,-1.7 -67,-2.6 -2,-0.3 2,-0.1 -0.990 32.2 -90.8-160.4 164.6 -27.1 35.4 -10.6 348 349 A P E -J 279 0C 2 0, 0.0 2,-0.9 0, 0.0 -69,-0.3 -0.369 31.8-114.2 -80.8 153.4 -26.2 36.9 -7.3 349 350 A V - 0 0 0 -71,-2.4 2,-0.4 -73,-0.4 -71,-0.3 -0.794 40.9-146.7 -76.6 107.6 -25.6 35.4 -3.9 350 351 A M - 0 0 17 222,-2.5 228,-0.4 -2,-0.9 2,-0.1 -0.697 7.1-136.3 -82.7 129.1 -28.5 37.0 -2.1 351 352 A S > - 0 0 6 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.427 20.4-116.2 -77.2 158.8 -27.9 37.9 1.6 352 353 A M H > S+ 0 0 0 326,-0.4 4,-2.5 2,-0.2 5,-0.2 0.862 119.2 54.8 -64.1 -33.9 -30.5 37.1 4.2 353 354 A K H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.932 109.0 46.9 -61.4 -44.8 -30.7 40.9 4.8 354 355 A E H 4 S+ 0 0 55 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.896 114.5 47.1 -65.0 -39.8 -31.4 41.5 1.1 355 356 A L H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.895 107.4 55.4 -68.3 -42.1 -34.0 38.7 1.0 356 357 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 118.8 33.6 -62.9 -29.3 -35.8 39.8 4.2 357 358 A H T 3< S+ 0 0 102 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.190 85.2 128.3-114.5 17.1 -36.4 43.3 2.8 358 359 A D <> - 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