==== 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 2VJL . 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) . 30986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 575 67.3 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 . 47 5.5 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 . 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 . 57 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 13.6 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 . 19 2.2 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 0 2 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 1 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 . 3 2 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 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 0 108 0, 0.0 612,-0.1 0, 0.0 388,-0.1 0.000 360.0 360.0 360.0 -71.3 -27.4 -61.7 -52.3 2 3 A K > - 0 0 31 1,-0.1 3,-1.9 388,-0.1 26,-0.1 -0.907 360.0-123.4 -99.1 137.5 -26.5 -58.7 -50.1 3 4 A P T 3 S+ 0 0 3 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.779 105.6 34.1 -49.3 -42.9 -22.9 -57.3 -50.9 4 5 A L T > S+ 0 0 0 24,-3.1 3,-1.8 21,-0.2 27,-0.3 0.002 77.8 146.3-111.1 25.7 -21.6 -57.6 -47.4 5 6 A D T < S+ 0 0 65 -3,-1.9 25,-0.2 1,-0.3 3,-0.1 -0.422 75.2 18.8 -54.4 131.9 -23.4 -60.8 -46.1 6 7 A G T 3 S+ 0 0 63 23,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.532 89.6 130.1 81.2 6.9 -21.0 -62.6 -43.8 7 8 A I < - 0 0 15 -3,-1.8 24,-3.3 22,-0.2 2,-0.6 -0.866 47.5-150.0 -94.8 119.3 -18.7 -59.6 -43.1 8 9 A N E -a 31 0A 51 -2,-0.6 82,-3.0 80,-0.2 83,-2.0 -0.805 11.4-164.0 -93.1 122.6 -18.2 -59.1 -39.4 9 10 A V E -ab 32 91A 2 22,-3.6 24,-2.7 -2,-0.6 2,-0.8 -0.926 13.2-156.2-115.6 114.2 -17.6 -55.5 -38.3 10 11 A L E -ab 33 92A 7 81,-2.7 83,-2.2 -2,-0.6 2,-0.7 -0.809 24.0-161.3 -84.3 109.6 -16.2 -54.5 -35.0 11 12 A D E +ab 34 93A 0 22,-2.7 24,-2.7 -2,-0.8 83,-0.2 -0.836 31.6 160.5-111.1 104.5 -17.5 -51.0 -34.6 12 13 A F + 0 0 6 81,-2.7 83,-0.2 -2,-0.7 82,-0.2 0.362 41.1 128.0 -93.8 2.3 -15.9 -48.5 -32.1 13 14 A T - 0 0 2 80,-0.4 2,-0.3 81,-0.1 29,-0.1 -0.221 33.1-179.9 -76.7 153.7 -17.3 -45.5 -33.8 14 15 A H > + 0 0 43 81,-0.2 4,-0.6 28,-0.1 2,-0.3 -0.864 47.3 12.8-140.5 170.3 -19.3 -42.7 -32.2 15 16 A V T 4 S- 0 0 30 -2,-0.3 27,-0.0 1,-0.2 -2,-0.0 -0.433 109.7 -40.6 59.5-117.1 -21.0 -39.4 -33.2 16 17 A Q T > S+ 0 0 16 -2,-0.3 4,-2.3 3,-0.1 5,-0.2 0.878 119.6 49.0-114.5 -55.9 -21.4 -39.0 -37.1 17 18 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.934 115.7 39.0 -61.2 -55.7 -18.6 -40.0 -39.5 18 19 A G H X S+ 0 0 0 -4,-0.6 4,-2.3 2,-0.2 5,-0.2 0.957 117.3 48.3 -62.1 -54.3 -17.8 -43.4 -38.2 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.863 107.6 57.1 -55.8 -38.6 -21.4 -44.5 -37.5 20 21 A A H X S+ 0 0 4 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.924 109.9 45.8 -54.9 -47.3 -22.5 -43.2 -41.0 21 22 A C H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.2 -1,-0.2 0.965 115.9 42.5 -60.5 -56.8 -20.0 -45.6 -42.5 22 23 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.810 111.7 55.9 -67.7 -29.4 -20.8 -48.7 -40.4 23 24 A Q H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.903 108.7 47.1 -65.1 -42.2 -24.6 -48.0 -40.8 24 25 A M H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.871 111.0 51.1 -68.1 -37.3 -24.3 -48.0 -44.6 25 26 A M H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 3,-0.3 0.896 109.6 52.1 -62.1 -42.3 -22.2 -51.2 -44.4 26 27 A G H ><5S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.884 105.0 54.8 -55.6 -43.3 -25.0 -52.6 -42.2 27 28 A F H 3<5S+ 0 0 2 -4,-2.2 366,-0.3 1,-0.3 -1,-0.2 0.776 105.1 54.1 -63.1 -28.8 -27.5 -51.6 -44.9 28 29 A L T 3<5S- 0 0 0 -4,-1.2 -24,-3.1 -3,-0.3 -1,-0.3 0.177 133.4 -87.6 -92.6 14.7 -25.5 -53.6 -47.4 29 30 A G T < 5S+ 0 0 19 -3,-1.6 -23,-0.5 1,-0.3 -22,-0.2 0.382 75.0 150.2 104.1 -1.1 -25.7 -56.8 -45.2 30 31 A A < - 0 0 10 -5,-2.4 2,-0.9 -25,-0.2 -1,-0.3 -0.253 50.4-122.6 -64.6 149.8 -22.7 -56.4 -42.8 31 32 A N E -a 8 0A 50 -24,-3.3 -22,-3.6 -27,-0.3 2,-0.6 -0.860 38.0-169.6 -90.3 102.7 -22.8 -57.9 -39.3 32 33 A V E -a 9 0A 3 -2,-0.9 35,-2.0 33,-0.4 2,-0.6 -0.875 14.4-170.0-108.0 119.1 -22.1 -54.8 -37.3 33 34 A I E -ac 10 67A 26 -24,-2.7 -22,-2.7 -2,-0.6 2,-0.7 -0.938 15.1-147.6-108.7 113.4 -21.4 -55.0 -33.5 34 35 A K E -ac 11 68A 1 33,-4.1 35,-2.8 -2,-0.6 2,-0.6 -0.715 5.4-155.2 -82.6 109.0 -21.4 -51.5 -31.8 35 36 A I E + c 0 69A 10 -24,-2.7 2,-0.3 -2,-0.7 35,-0.2 -0.785 24.3 172.0 -84.6 120.2 -18.9 -51.3 -28.9 36 37 A E E - c 0 70A 10 33,-2.4 35,-2.6 -2,-0.6 2,-0.1 -0.893 34.5-104.3-126.9 155.5 -20.1 -48.6 -26.5 37 38 A R > - 0 0 155 -2,-0.3 4,-1.2 33,-0.2 35,-0.1 -0.488 50.3 -90.6 -77.1 153.3 -19.0 -47.4 -23.0 38 39 A R T 4 S+ 0 0 88 1,-0.2 2,-1.9 2,-0.2 3,-0.2 -0.221 96.7 2.0 -67.4 148.1 -21.2 -48.4 -20.1 39 40 A G T 4 S+ 0 0 70 1,-0.2 -1,-0.2 361,-0.0 361,-0.1 -0.199 135.7 38.5 80.0 -47.9 -24.1 -46.2 -18.7 40 41 A S T 4 S+ 0 0 71 -2,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.812 79.2 177.5-104.5 -45.0 -23.8 -43.5 -21.4 41 42 A G < + 0 0 2 -4,-1.2 -3,-0.1 -3,-0.2 -1,-0.0 -0.208 57.8 4.6 66.9-161.3 -23.0 -45.1 -24.7 42 43 A D S > S- 0 0 4 1,-0.2 3,-1.9 -29,-0.1 4,-0.3 -0.314 73.3-130.7 -55.5 132.4 -22.7 -43.1 -27.9 43 44 A M G > S+ 0 0 53 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.748 102.2 71.3 -63.3 -26.0 -23.1 -39.5 -27.0 44 45 A T G > S+ 0 0 0 1,-0.2 15,-0.7 2,-0.2 3,-0.7 0.716 80.8 75.4 -62.5 -21.6 -25.7 -39.0 -29.8 45 46 A R G < S+ 0 0 10 -3,-1.9 11,-1.9 1,-0.2 -1,-0.2 0.888 107.9 30.2 -55.9 -39.4 -28.1 -41.0 -27.7 46 47 A G G < S+ 0 0 44 -3,-1.1 2,-0.5 -4,-0.3 3,-0.3 0.243 98.8 99.4-108.6 11.2 -28.6 -38.0 -25.4 47 48 A W S < S- 0 0 64 -3,-0.7 11,-0.4 -4,-0.3 12,-0.2 -0.879 96.6 -7.0 -99.8 129.7 -28.0 -35.1 -27.8 48 49 A L S S- 0 0 17 -2,-0.5 9,-0.4 1,-0.2 10,-0.2 0.847 82.7-178.7 62.1 39.1 -31.0 -33.2 -29.3 49 50 A Q - 0 0 74 -3,-0.3 -1,-0.2 7,-0.2 7,-0.1 -0.438 24.9-159.6 -67.6 140.7 -33.6 -35.6 -27.9 50 51 A D S S+ 0 0 31 1,-0.2 -1,-0.1 4,-0.1 5,-0.1 0.521 84.5 35.7 -93.8 -11.4 -37.3 -34.8 -28.9 51 52 A K S > S- 0 0 132 3,-0.3 3,-1.5 597,-0.0 -1,-0.2 -0.992 96.0-106.1-143.0 129.9 -38.5 -36.9 -25.9 52 53 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.295 100.3 6.0 -60.9 143.2 -36.8 -37.2 -22.5 53 54 A N T 3 S+ 0 0 152 1,-0.2 2,-0.4 -7,-0.1 -7,-0.1 0.609 104.2 111.2 57.5 20.5 -35.0 -40.5 -21.7 54 55 A V S < S- 0 0 42 -3,-1.5 -3,-0.3 -9,-0.1 -1,-0.2 -0.971 81.8 -99.8-118.5 136.0 -35.6 -41.8 -25.3 55 56 A D - 0 0 32 -2,-0.4 -9,-0.2 1,-0.1 -10,-0.1 -0.314 48.6-115.9 -54.0 129.6 -32.6 -42.2 -27.7 56 57 A S > - 0 0 0 -11,-1.9 4,-2.2 -12,-0.3 3,-0.5 -0.159 15.5-111.9 -66.2 161.7 -32.6 -39.1 -30.0 57 58 A L H > S+ 0 0 3 -9,-0.4 4,-2.1 1,-0.2 5,-0.1 0.747 117.4 69.6 -61.2 -27.5 -33.2 -39.1 -33.7 58 59 A Y H 4 S+ 0 0 4 -11,-0.4 4,-0.3 -14,-0.2 -1,-0.2 0.935 108.2 34.6 -51.9 -49.8 -29.5 -38.1 -33.8 59 60 A F H >> S+ 0 0 0 -15,-0.7 3,-1.3 -3,-0.5 4,-0.6 0.938 118.1 49.7 -72.2 -47.5 -28.6 -41.6 -32.6 60 61 A T H >< S+ 0 0 5 -4,-2.2 3,-0.5 1,-0.3 4,-0.3 0.822 106.8 54.1 -71.8 -30.6 -31.3 -43.7 -34.4 61 62 A M T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 320,-0.3 0.550 116.9 39.1 -78.3 -8.2 -30.8 -42.2 -37.9 62 63 A F T <4 S+ 0 0 0 -3,-1.3 -39,-0.2 -4,-0.3 -1,-0.2 0.364 115.6 50.6-115.5 0.0 -27.1 -43.1 -37.7 63 64 A N X< + 0 0 0 -4,-0.6 3,-0.5 -3,-0.5 -2,-0.1 0.146 67.0 130.1-137.7 25.6 -27.3 -46.5 -35.9 64 65 A C T 3 S+ 0 0 0 -4,-0.3 332,-0.2 1,-0.2 -38,-0.2 -0.370 70.3 30.9 -69.9 157.7 -29.8 -48.8 -37.7 65 66 A N T 3 S+ 0 0 30 330,-1.7 -33,-0.4 331,-0.2 2,-0.3 0.839 100.1 110.3 55.9 40.1 -28.7 -52.3 -38.6 66 67 A K < - 0 0 11 -3,-0.5 2,-0.3 330,-0.3 -1,-0.2 -0.940 58.3-141.0-133.1 158.5 -26.4 -52.6 -35.7 67 68 A R E -c 33 0A 31 -35,-2.0 -33,-4.1 -2,-0.3 2,-0.5 -0.928 21.7-137.9-114.4 149.5 -26.2 -54.5 -32.4 68 69 A S E +c 34 0A 0 -2,-0.3 335,-2.5 331,-0.2 336,-0.4 -0.920 20.5 176.7-116.0 127.4 -24.9 -52.8 -29.2 69 70 A I E -c 35 0A 3 -35,-2.8 -33,-2.4 -2,-0.5 2,-0.4 -0.956 24.6-133.7-118.6 144.6 -22.6 -54.2 -26.5 70 71 A E E +c 36 0A 37 -2,-0.4 2,-0.3 331,-0.2 -33,-0.2 -0.795 32.9 168.2 -93.0 141.3 -21.4 -52.3 -23.5 71 72 A L - 0 0 3 -35,-2.6 2,-0.8 -2,-0.4 356,-0.2 -0.852 35.9-149.7-161.5 118.9 -17.6 -52.5 -22.7 72 73 A D - 0 0 60 354,-3.1 3,-0.3 -2,-0.3 6,-0.1 -0.826 20.8-174.8 -80.6 109.8 -15.1 -50.8 -20.5 73 74 A M S S+ 0 0 21 -2,-0.8 2,-0.4 1,-0.2 -1,-0.1 0.551 70.4 75.7 -89.3 -10.0 -12.0 -51.2 -22.7 74 75 A K S S+ 0 0 165 352,-0.1 -1,-0.2 4,-0.1 3,-0.1 -0.352 83.1 86.3 -94.2 49.8 -9.6 -49.7 -20.0 75 76 A T S >> S- 0 0 25 -2,-0.4 4,-1.7 -3,-0.3 3,-0.5 -0.983 84.0-122.6-144.6 140.5 -9.8 -53.0 -18.0 76 77 A P H 3> S+ 0 0 102 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.864 114.8 47.0 -47.8 -44.2 -7.7 -56.2 -18.3 77 78 A E H 3> S+ 0 0 69 1,-0.2 4,-0.8 2,-0.2 -4,-0.1 0.762 108.9 54.7 -74.4 -27.2 -10.8 -58.3 -18.8 78 79 A G H <> S+ 0 0 0 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.792 106.3 53.9 -69.8 -30.3 -12.2 -55.9 -21.4 79 80 A K H X S+ 0 0 62 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.883 107.3 47.3 -73.9 -40.9 -9.0 -56.2 -23.4 80 81 A E H X S+ 0 0 123 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.734 109.4 56.7 -70.9 -22.7 -9.1 -60.0 -23.6 81 82 A L H X S+ 0 0 8 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.881 106.0 49.6 -73.2 -40.5 -12.7 -59.7 -24.7 82 83 A L H X S+ 0 0 2 -4,-1.5 4,-3.7 2,-0.2 5,-0.3 0.924 104.6 58.6 -59.7 -47.1 -11.7 -57.5 -27.6 83 84 A E H X S+ 0 0 53 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.863 106.7 47.4 -54.8 -40.5 -9.0 -59.9 -28.7 84 85 A Q H X S+ 0 0 60 -4,-1.2 4,-0.7 2,-0.2 -1,-0.3 0.886 114.8 46.6 -66.2 -40.2 -11.6 -62.6 -29.1 85 86 A M H >X S+ 0 0 13 -4,-1.6 4,-1.0 2,-0.2 3,-0.9 0.909 109.5 53.4 -68.5 -42.9 -13.9 -60.2 -31.1 86 87 A I H 3< S+ 0 0 0 -4,-3.7 3,-0.4 1,-0.2 -1,-0.2 0.861 104.9 55.8 -58.9 -37.5 -11.0 -59.0 -33.2 87 88 A K H 3< S+ 0 0 128 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.732 111.1 44.2 -67.9 -22.9 -10.2 -62.6 -34.2 88 89 A K H << S+ 0 0 107 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.603 99.4 99.6 -90.0 -15.9 -13.8 -63.0 -35.4 89 90 A A < - 0 0 5 -4,-1.0 -80,-0.2 -3,-0.4 3,-0.1 -0.402 47.6-172.3 -84.0 147.2 -13.8 -59.6 -37.2 90 91 A D S S+ 0 0 22 -82,-3.0 29,-2.2 1,-0.3 2,-0.4 0.711 83.2 19.8 -94.8 -36.4 -13.3 -58.8 -40.9 91 92 A V E -bd 9 119A 0 -83,-2.0 -81,-2.7 27,-0.2 2,-0.5 -0.999 60.0-159.7-138.2 140.3 -13.2 -55.0 -40.4 92 93 A M E -bd 10 120A 1 27,-3.4 29,-3.4 -2,-0.4 2,-0.4 -0.988 16.5-170.2-117.1 124.3 -12.5 -52.8 -37.4 93 94 A V E +bd 11 121A 0 -83,-2.2 -81,-2.7 -2,-0.5 -80,-0.4 -0.942 10.4 165.7-118.2 135.4 -13.8 -49.2 -37.7 94 95 A E E - d 0 122A 16 27,-2.1 29,-1.6 -2,-0.4 -81,-0.1 -0.998 25.7-178.6-147.6 143.2 -13.0 -46.3 -35.3 95 96 A N + 0 0 17 -2,-0.3 -81,-0.2 27,-0.2 -77,-0.1 -0.346 42.2 131.6-134.4 55.3 -13.2 -42.5 -35.1 96 97 A F S S- 0 0 55 1,-0.2 27,-0.1 2,-0.1 -2,-0.1 -0.266 71.6 -66.2 -78.2-179.1 -11.7 -41.8 -31.7 97 98 A G > - 0 0 25 -2,-0.1 3,-1.3 27,-0.1 4,-0.4 -0.303 64.8 -87.9 -63.3 159.2 -9.0 -39.1 -31.4 98 99 A P T 3 S+ 0 0 49 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.804 121.4 28.3 -39.7 -58.2 -5.6 -39.7 -33.1 99 100 A G T 3> S+ 0 0 22 1,-0.2 4,-2.0 35,-0.2 3,-0.2 0.482 93.0 100.9 -89.2 -1.4 -3.7 -41.7 -30.4 100 101 A A T <4 S+ 0 0 23 -3,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.840 82.1 41.9 -57.1 -48.5 -6.7 -43.3 -28.6 101 102 A L T >4>S+ 0 0 4 -4,-0.4 5,-1.4 -3,-0.3 3,-0.7 0.839 114.1 51.5 -73.0 -34.8 -6.7 -46.8 -30.0 102 103 A D G >45S+ 0 0 86 -4,-0.3 3,-2.1 1,-0.2 5,-0.3 0.901 103.8 57.7 -66.2 -42.8 -2.9 -47.3 -29.8 103 104 A R G 3<5S+ 0 0 189 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.509 96.5 64.1 -71.8 -5.1 -2.7 -46.2 -26.2 104 105 A M G < 5S- 0 0 29 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.348 123.7-104.2 -90.1 2.3 -5.1 -49.0 -25.3 105 106 A G T < 5S+ 0 0 46 -3,-2.1 2,-0.4 1,-0.1 -3,-0.2 0.584 92.7 114.8 84.4 12.3 -2.4 -51.5 -26.5 106 107 A F < + 0 0 6 -5,-1.4 -3,-0.1 4,-0.1 2,-0.1 -0.563 39.3 164.1-114.8 65.4 -4.2 -52.2 -29.8 107 108 A T > - 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0 0 59 -2,-0.4 4,-2.0 -63,-0.2 5,-0.2 -0.265 38.3 -97.1 -77.2 171.2 -44.6 -20.9 -57.9 332 333 A K H > S+ 0 0 6 -63,-0.2 4,-2.0 1,-0.2 5,-0.1 0.792 122.8 50.0 -63.6 -31.4 -41.4 -22.9 -58.1 333 334 A F H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 109.9 50.8 -75.5 -38.5 -43.0 -26.1 -59.5 334 335 A E H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.866 112.2 47.5 -62.8 -39.1 -44.8 -24.0 -62.2 335 336 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.913 111.5 50.0 -67.8 -43.3 -41.5 -22.4 -63.2 336 337 A T H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.883 112.8 47.8 -62.5 -39.1 -39.7 -25.8 -63.2 337 338 A E H X S+ 0 0 149 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.911 111.8 49.4 -64.6 -47.4 -42.5 -27.2 -65.4 338 339 A W H >X S+ 0 0 50 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.947 113.2 46.1 -57.2 -51.7 -42.3 -24.2 -67.8 339 340 A A H >X>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 3,-1.4 0.885 105.5 61.2 -59.4 -41.5 -38.5 -24.5 -68.1 340 341 A A H ><5S+ 0 0 45 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.830 93.4 64.6 -55.7 -36.7 -38.8 -28.3 -68.7 341 342 A Q H <<5S+ 0 0 164 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.814 107.9 41.7 -53.0 -34.4 -40.9 -27.6 -71.8 342 343 A Y H <<5S- 0 0 76 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.480 114.7-115.5 -92.7 -6.0 -37.8 -25.9 -73.3 343 344 A G T <<5 + 0 0 19 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.647 63.6 153.1 76.5 17.3 -35.3 -28.6 -72.0 344 345 A I < - 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0 0 9 -5,-1.6 2,-1.4 -54,-0.1 -1,-0.2 -0.576 48.9-118.4 -82.1 139.7 -10.4 -25.6 -27.4 773 346 B P + 0 0 13 0, 0.0 -63,-1.8 0, 0.0 2,-0.4 -0.655 58.4 144.3 -80.5 93.1 -11.8 -26.8 -30.8 774 347 B C E +U 709 0G 15 -2,-1.4 -65,-0.2 -10,-0.2 -6,-0.1 -0.998 21.8 179.2-131.8 133.6 -11.0 -23.8 -33.0 775 348 B G E -U 708 0G 2 -67,-2.0 -67,-3.2 -2,-0.4 2,-0.1 -0.991 23.8-116.4-140.2 148.3 -9.9 -23.9 -36.6 776 349 B P E -U 707 0G 9 0, 0.0 2,-0.8 0, 0.0 -69,-0.3 -0.445 28.4-112.6 -81.7 148.8 -9.1 -21.4 -39.4 777 350 B V - 0 0 0 -71,-2.6 2,-0.5 -73,-0.3 -71,-0.3 -0.740 38.0-144.9 -72.6 111.6 -10.9 -20.8 -42.7 778 351 B M - 0 0 21 -634,-2.7 -628,-0.4 -2,-0.8 -631,-0.1 -0.741 7.5-142.3 -85.2 122.9 -8.4 -22.1 -45.2 779 352 B S > - 0 0 2 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.393 22.7-113.4 -73.2 159.7 -8.3 -20.2 -48.5 780 353 B M H > S+ 0 0 0 -530,-0.3 4,-2.9 1,-0.2 5,-0.2 0.828 117.0 54.7 -65.4 -33.0 -7.8 -22.1 -51.8 781 354 B K H > S+ 0 0 74 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.889 109.6 48.2 -68.9 -35.5 -4.4 -20.4 -52.4 782 355 B E H 4 S+ 0 0 44 2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.920 115.8 43.9 -64.9 -44.1 -3.3 -21.7 -48.9 783 356 B L H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.907 108.6 56.5 -69.3 -42.4 -4.6 -25.2 -49.7 784 357 B A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 120.9 29.5 -59.6 -30.4 -3.1 -25.3 -53.2 785 358 B H T 3< S+ 0 0 94 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.187 83.3 132.0-120.5 15.5 0.4 -24.6 -51.9 786 359 B D <> - 0 0 33 -3,-1.0 4,-1.3 -4,-0.3 5,-0.2 -0.551 48.8-148.7 -68.8 121.5 0.3 -26.1 -48.4 787 360 B P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.890 93.1 56.7 -59.3 -39.8 3.4 -28.3 -47.9 788 361 B S H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.904 104.9 50.1 -57.8 -48.2 1.6 -30.8 -45.6 789 362 B L H 4>S+ 0 0 0 1,-0.2 5,-2.3 2,-0.2 6,-1.9 0.818 113.1 46.8 -63.7 -33.0 -1.2 -31.7 -48.1 790 363 B Q H ><5S+ 0 0 78 -4,-1.3 3,-0.6 4,-0.2 -1,-0.2 0.836 108.7 56.1 -75.3 -32.2 1.5 -32.3 -50.7 791 364 B K H 3<5S+ 0 0 152 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 110.7 43.9 -63.8 -38.0 3.5 -34.4 -48.3 792 365 B V T 3<5S- 0 0 22 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.469 115.4-114.6 -88.8 -1.3 0.5 -36.7 -47.6 793 366 B G T < 5S+ 0 0 26 -3,-0.6 18,-0.4 2,-0.3 -3,-0.2 0.722 85.5 115.2 76.3 22.6 -0.4 -37.0 -51.3 794 367 B T S - 0 0 1 -2,-1.0 4,-1.7 1,-0.1 -2,-0.0 -0.910 14.3-178.2-121.4 99.1 2.3 -33.5 -67.5 801 374 B E T 4 S+ 0 0 131 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.667 80.6 50.4 -73.4 -17.9 5.0 -33.2 -70.1 802 375 B I T 4 S+ 0 0 90 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.905 126.6 16.8 -84.8 -49.3 2.5 -32.2 -72.8 803 376 B R T 4 S- 0 0 25 1,-0.2 -2,-0.2 -321,-0.0 2,-0.1 0.553 114.0 -99.4-102.9 -12.2 0.6 -29.4 -71.2 804 377 B G < - 0 0 37 -4,-1.7 -1,-0.2 2,-0.0 -2,-0.1 -0.013 55.5 -58.1 93.5 150.3 2.9 -28.5 -68.3 805 378 B N - 0 0 65 -2,-0.1 2,-0.3 -4,-0.1 -6,-0.2 -0.188 55.2-179.5 -65.8 153.5 2.4 -29.7 -64.7 806 379 B H E -V 798 0H 5 -8,-1.1 -8,-3.2 -318,-0.1 2,-0.3 -0.942 25.9-109.4-143.2 164.0 -0.8 -29.0 -62.7 807 380 B L E +V 797 0H 11 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.671 35.5 169.7 -90.2 150.9 -2.1 -29.7 -59.3 808 381 B T E -V 796 0H 0 -12,-2.0 -12,-2.8 -2,-0.3 2,-0.4 -0.933 39.3 -98.0-144.9 171.2 -4.9 -32.1 -58.5 809 382 B V E -V 795 0H 0 -2,-0.3 -14,-0.2 -320,-0.3 -15,-0.1 -0.820 42.0-154.1 -90.1 135.5 -6.5 -33.8 -55.5 810 383 B G - 0 0 0 -16,-2.8 -16,-0.2 -2,-0.4 -1,-0.1 0.236 42.2 -45.7 -86.4-151.5 -5.2 -37.3 -54.8 811 384 B A - 0 0 3 -18,-0.4 -1,-0.2 1,-0.1 -16,-0.0 -0.762 42.7-157.1 -83.3 122.9 -6.8 -40.3 -53.1 812 385 B P S S+ 0 0 0 0, 0.0 -614,-0.7 0, 0.0 2,-0.5 0.592 76.2 79.0 -76.9 -10.7 -8.4 -39.2 -49.8 813 386 B F E S-F 197 0A 1 -616,-0.2 2,-0.5 -612,-0.1 -616,-0.2 -0.877 71.7-155.3 -96.4 127.3 -8.1 -42.8 -48.4 814 387 B K E -F 196 0A 42 -618,-2.9 -618,-2.2 -2,-0.5 2,-0.3 -0.916 9.2-160.4-106.5 129.7 -4.6 -43.6 -47.2 815 388 B F E > -FG 195 818A 14 3,-0.6 3,-0.6 -2,-0.5 -620,-0.2 -0.832 21.5-141.1-114.8 146.8 -3.6 -47.3 -47.2 816 389 B S T 3 S+ 0 0 65 -622,-1.9 -1,-0.1 -2,-0.3 -621,-0.1 0.810 103.0 35.4 -72.1 -30.4 -0.8 -49.1 -45.3 817 390 B G T 3 S+ 0 0 37 -623,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.005 115.9 48.1-115.6 29.7 0.1 -51.4 -48.2 818 391 B F B < -G 815 0A 16 -3,-0.6 -3,-0.6 -388,-0.0 -388,-0.1 -0.963 50.1-164.3-172.2 140.3 -0.4 -49.2 -51.2 819 392 B Q - 0 0 126 -2,-0.3 2,-0.1 -5,-0.1 -5,-0.1 -0.996 28.5-121.2-133.8 127.3 0.3 -45.8 -52.8 820 393 B P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 -364,-0.1 -0.396 15.7-150.4 -64.8 145.1 -1.5 -44.3 -55.8 821 394 B E - 0 0 133 -366,-0.4 2,-0.5 -2,-0.1 -364,-0.1 -0.917 14.6-155.1-116.5 102.6 0.6 -43.4 -58.9 822 395 B I - 0 0 32 -2,-0.6 -23,-0.4 -25,-0.1 2,-0.3 -0.681 13.4-175.5 -89.8 122.4 -1.1 -40.4 -60.6 823 396 B T - 0 0 80 -2,-0.5 -330,-1.8 1,-0.1 -329,-0.2 -0.870 32.6 -84.3-119.6 149.0 -0.3 -40.0 -64.3 824 397 B R - 0 0 42 -25,-0.6 -330,-0.4 -2,-0.3 -331,-0.3 0.034 48.2 -95.5 -56.9 153.4 -1.4 -37.3 -66.7 825 398 B A - 0 0 0 -333,-0.2 -333,-0.2 -337,-0.1 -1,-0.1 -0.360 46.8-101.7 -70.1 146.6 -4.8 -37.1 -68.5 826 399 B P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.330 23.8-121.0 -74.1 145.8 -5.0 -38.5 -72.1 827 400 B L > - 0 0 63 1,-0.1 3,-2.0 -331,-0.1 2,-0.3 -0.428 56.6 -74.2 -69.5 159.3 -5.0 -36.5 -75.3 828 401 B L T 3 S- 0 0 47 1,-0.3 -1,-0.1 2,-0.1 -330,-0.1 -0.431 117.5 -5.1 -63.7 121.1 -8.1 -37.1 -77.4 829 402 B G T > S+ 0 0 15 -2,-0.3 3,-1.0 -3,-0.1 4,-0.3 0.674 89.5 142.7 70.1 20.9 -7.8 -40.5 -79.0 830 403 B E T < S+ 0 0 71 -3,-2.0 4,-0.2 1,-0.2 -333,-0.1 0.770 75.0 31.9 -65.7 -27.1 -4.3 -41.0 -77.7 831 404 B H T 3> S+ 0 0 28 -335,-2.4 4,-2.9 -4,-0.3 5,-0.3 0.190 82.7 115.3-118.0 14.7 -4.6 -44.7 -77.0 832 405 B T H <> S+ 0 0 3 -3,-1.0 4,-2.4 -336,-0.3 5,-0.1 0.934 85.1 35.6 -50.0 -59.8 -7.1 -45.7 -79.8 833 406 B D H > S+ 0 0 46 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.875 115.4 56.7 -67.6 -39.0 -4.7 -48.0 -81.7 834 407 B E H > S+ 0 0 98 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.917 112.1 42.6 -53.8 -46.6 -3.0 -49.2 -78.5 835 408 B V H X S+ 0 0 3 -4,-2.9 4,-1.1 2,-0.2 3,-0.5 0.876 111.3 54.4 -70.7 -40.0 -6.5 -50.3 -77.2 836 409 B L H X>S+ 0 0 1 -4,-2.4 5,-1.5 -5,-0.3 4,-0.5 0.887 104.1 55.6 -61.4 -40.1 -7.5 -51.8 -80.6 837 410 B K H <5S+ 0 0 98 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.761 103.3 56.1 -63.6 -26.4 -4.3 -54.0 -80.6 838 411 B E H <5S+ 0 0 86 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.790 99.4 58.4 -75.0 -29.7 -5.4 -55.4 -77.2 839 412 B L H <5S- 0 0 28 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.633 123.8-109.5 -69.9 -15.3 -8.8 -56.5 -78.7 840 413 B G T <5 + 0 0 64 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.2 0.702 65.8 150.3 96.0 25.1 -6.6 -58.5 -81.1 841 414 B L < - 0 0 30 -5,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.693 41.1-123.6 -92.7 141.1 -7.1 -56.6 -84.3 842 415 B D > - 0 0 93 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.220 27.0-102.1 -78.6 170.5 -4.3 -56.5 -87.0 843 416 B D H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.769 122.1 53.7 -63.6 -29.7 -2.6 -53.3 -88.5 844 417 B A H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.903 109.4 47.2 -70.2 -43.9 -4.7 -53.7 -91.6 845 418 B K H > S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.884 112.9 49.7 -64.1 -41.6 -8.0 -53.8 -89.7 846 419 B I H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.914 109.7 49.2 -64.5 -46.3 -7.0 -50.7 -87.5 847 420 B K H X S+ 0 0 104 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.790 111.6 49.0 -69.1 -28.9 -6.0 -48.5 -90.5 848 421 B E H X S+ 0 0 110 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.746 106.3 56.6 -80.8 -25.5 -9.2 -49.2 -92.3 849 422 B L H <>S+ 0 0 2 -4,-1.3 5,-2.8 2,-0.2 6,-1.1 0.869 109.3 46.9 -68.3 -38.1 -11.2 -48.4 -89.2 850 423 B H H ><5S+ 0 0 68 -4,-1.8 3,-0.7 3,-0.2 -2,-0.2 0.914 114.5 47.0 -62.2 -45.6 -9.5 -45.0 -89.2 851 424 B A H 3<5S+ 0 0 61 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.896 110.5 50.8 -64.9 -43.1 -10.3 -44.7 -93.0 852 425 B K T 3<5S- 0 0 107 -4,-3.0 -1,-0.3 1,-0.1 -2,-0.2 0.562 113.7-124.7 -67.2 -10.5 -13.9 -45.8 -92.3 853 426 B Q T < 5S+ 0 0 113 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.820 74.6 127.5 65.7 35.3 -13.9 -43.1 -89.6 854 427 B V < 0 0 1 -5,-2.8 -354,-2.7 -6,-0.1 -4,-0.2 0.785 360.0 360.0 -84.9 -34.8 -15.0 -45.5 -86.9 855 428 B V 0 0 7 -6,-1.1 -356,-0.2 -356,-0.2 -2,-0.1 -0.792 360.0 360.0-127.5 360.0 -12.1 -44.5 -84.7