==== 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 TRANSFERASE 28-APR-04 1VGQ . COMPND 2 MOLECULE: FORMYL-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR S.RICAGNO,S.JONSSON,N.G.RICHARDS,Y.LINDQVIST . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 5.4 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 . 54 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 14.5 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 4 4 2 8 2 1 5 2 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 5 3 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 . 4 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 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 0 102 0, 0.0 388,-0.1 0, 0.0 612,-0.1 0.000 360.0 360.0 360.0-105.2 -61.2 27.9 2.3 2 3 A K > - 0 0 31 1,-0.1 3,-1.7 27,-0.1 26,-0.1 -0.727 360.0-130.2 -93.8 135.8 -58.4 26.5 4.6 3 4 A P T 3 S+ 0 0 7 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.782 103.3 34.7 -50.9 -41.8 -57.0 22.9 3.9 4 5 A L T > S+ 0 0 0 24,-2.7 3,-1.8 21,-0.2 27,-0.3 0.013 77.2 145.4-112.3 25.2 -57.2 21.6 7.4 5 6 A D T < S+ 0 0 62 -3,-1.7 25,-0.2 23,-0.2 3,-0.1 -0.443 76.0 19.6 -51.3 130.1 -60.4 23.3 8.6 6 7 A G T 3 S+ 0 0 64 23,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.445 90.5 126.1 83.1 2.0 -62.2 20.9 10.9 7 8 A I < - 0 0 11 -3,-1.8 24,-2.5 22,-0.2 2,-0.5 -0.852 48.2-153.2 -94.4 116.9 -59.1 18.7 11.6 8 9 A N E -a 31 0A 55 -2,-0.6 82,-2.3 22,-0.2 83,-1.9 -0.814 8.8-161.4 -96.7 126.4 -58.6 18.3 15.4 9 10 A V E -ab 32 91A 2 22,-3.1 24,-2.8 -2,-0.5 2,-0.9 -0.938 13.5-154.3-116.6 117.9 -55.0 17.6 16.4 10 11 A L E -ab 33 92A 4 81,-2.7 83,-2.4 -2,-0.5 2,-0.9 -0.833 23.9-161.7 -88.3 104.2 -54.0 16.2 19.8 11 12 A D E +ab 34 93A 0 22,-2.8 24,-2.4 -2,-0.9 83,-0.2 -0.756 28.3 163.6-105.3 93.7 -50.5 17.6 20.0 12 13 A F + 0 0 2 81,-2.3 83,-0.2 -2,-0.9 82,-0.2 0.386 40.5 129.3 -79.3 1.2 -48.2 15.9 22.5 13 14 A T + 0 0 2 80,-0.4 2,-0.3 5,-0.1 29,-0.1 -0.149 32.7 179.5 -75.9 154.9 -45.1 17.4 21.0 14 15 A H > + 0 0 34 81,-0.1 4,-0.6 28,-0.1 2,-0.3 -0.894 50.5 16.4-137.0 173.8 -42.2 19.3 22.4 15 16 A V T 4 S- 0 0 13 -2,-0.3 673,-0.1 1,-0.2 29,-0.0 -0.512 107.9 -50.8 65.2-119.3 -38.9 20.9 21.3 16 17 A Q T > S+ 0 0 2 -2,-0.3 4,-2.5 3,-0.1 5,-0.2 0.820 118.5 56.7-123.2 -51.5 -38.8 21.4 17.4 17 18 A A H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -2,-0.1 0.942 115.4 36.8 -58.9 -55.4 -39.6 18.5 15.1 18 19 A G H X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.941 118.8 47.8 -63.2 -53.3 -43.1 17.8 16.5 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.820 107.3 57.5 -60.1 -30.4 -44.1 21.4 17.2 20 21 A A H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.934 108.9 47.5 -63.1 -44.6 -43.0 22.5 13.7 21 22 A C H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.955 115.8 41.2 -58.5 -57.2 -45.3 20.0 12.2 22 23 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.818 112.3 56.0 -68.2 -30.9 -48.4 20.8 14.3 23 24 A Q H X S+ 0 0 0 -4,-2.3 4,-2.3 39,-0.2 -1,-0.2 0.938 109.4 46.4 -62.6 -44.9 -47.7 24.6 14.0 24 25 A M H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.872 110.7 51.9 -68.4 -37.5 -47.7 24.3 10.2 25 26 A M H <>S+ 0 0 2 -4,-2.0 5,-2.3 2,-0.2 3,-0.3 0.915 109.8 51.2 -58.5 -45.3 -50.9 22.2 10.3 26 27 A G H ><5S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.883 104.8 55.1 -58.4 -42.9 -52.3 25.0 12.5 27 28 A F H 3<5S+ 0 0 2 -4,-2.3 366,-0.3 1,-0.3 -1,-0.2 0.809 106.6 52.6 -58.5 -33.4 -51.3 27.6 9.9 28 29 A L T 3<5S- 0 0 0 -4,-1.4 -24,-2.7 -3,-0.3 -1,-0.3 0.261 134.7 -86.7 -88.8 9.1 -53.3 25.6 7.3 29 30 A G T < 5S+ 0 0 18 -3,-1.7 -23,-0.5 1,-0.3 -3,-0.2 0.373 76.0 146.0 109.8 -2.1 -56.4 25.7 9.6 30 31 A A < - 0 0 10 -5,-2.3 2,-0.9 -25,-0.2 -1,-0.3 -0.346 52.1-122.7 -66.2 147.2 -56.1 22.7 11.9 31 32 A N E -a 8 0A 52 -24,-2.5 -22,-3.1 -27,-0.3 2,-0.6 -0.818 36.4-166.6 -88.0 100.2 -57.4 23.0 15.5 32 33 A V E -a 9 0A 3 -2,-0.9 35,-2.2 33,-0.5 2,-0.6 -0.825 14.4-171.3-102.1 119.3 -54.3 22.2 17.5 33 34 A I E -ac 10 67A 22 -24,-2.8 -22,-2.8 -2,-0.6 2,-0.6 -0.944 15.0-152.5-108.1 112.5 -54.5 21.4 21.2 34 35 A K E -ac 11 68A 1 33,-3.4 35,-2.3 -2,-0.6 2,-0.5 -0.758 1.8-151.0 -91.6 117.8 -51.1 21.2 22.7 35 36 A I E - c 0 69A 8 -24,-2.4 2,-0.3 -2,-0.6 35,-0.2 -0.794 23.8-180.0 -89.3 127.1 -50.7 19.0 25.7 36 37 A E E - c 0 70A 6 33,-2.4 35,-2.6 -2,-0.5 2,-0.1 -0.859 32.9 -91.7-128.0 155.5 -47.9 20.2 28.1 37 38 A R > - 0 0 149 -2,-0.3 4,-0.8 33,-0.2 2,-0.2 -0.391 51.1-102.9 -59.1 140.5 -46.3 19.2 31.4 38 39 A R T 4 S+ 0 0 99 33,-0.3 2,-1.0 1,-0.2 -1,-0.1 -0.486 98.1 4.9 -63.3 128.6 -47.8 20.8 34.5 39 40 A G T 4 S+ 0 0 59 -2,-0.2 -1,-0.2 1,-0.2 361,-0.1 -0.463 138.0 31.2 100.9 -62.8 -45.6 23.7 35.7 40 41 A S T 4 S- 0 0 83 -2,-1.0 -1,-0.2 1,-0.1 5,-0.1 0.750 84.1-171.4-102.5 -29.9 -42.8 24.1 33.2 41 42 A G < + 0 0 2 -4,-0.8 -1,-0.1 4,-0.1 5,-0.1 -0.248 55.3 6.5 68.8-160.0 -44.6 23.0 29.9 42 43 A D S > S- 0 0 7 1,-0.1 3,-2.4 -29,-0.1 4,-0.4 -0.332 76.6-123.1 -52.6 127.1 -42.6 22.5 26.7 43 44 A M G > S+ 0 0 47 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.730 107.1 69.6 -43.0 -33.8 -38.9 22.8 27.4 44 45 A T G > S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 15,-0.8 0.720 82.1 73.9 -66.0 -20.9 -38.6 25.6 24.8 45 46 A R G < S+ 0 0 9 -3,-2.4 11,-1.7 1,-0.2 -1,-0.2 0.920 109.6 29.1 -54.0 -45.2 -40.6 27.9 27.0 46 47 A G G < S+ 0 0 52 -3,-0.7 2,-0.7 -4,-0.4 3,-0.4 0.237 97.3 110.9-100.7 13.8 -37.6 28.4 29.3 47 48 A W S < S- 0 0 16 -3,-0.8 11,-0.5 1,-0.2 12,-0.2 -0.810 95.9 -23.3-102.9 111.5 -34.9 27.8 26.6 48 49 A L S S- 0 0 27 -2,-0.7 9,-0.4 1,-0.1 -1,-0.2 0.904 79.9-169.8 54.5 52.2 -32.9 30.9 25.7 49 50 A Q - 0 0 76 -3,-0.4 -1,-0.1 7,-0.2 7,-0.1 -0.404 21.7-155.1 -64.1 140.6 -35.4 33.5 26.8 50 51 A D S S+ 0 0 25 1,-0.3 -1,-0.1 5,-0.2 5,-0.1 0.695 88.0 34.1 -86.3 -26.8 -34.6 37.0 25.7 51 52 A K S > S- 0 0 92 3,-0.3 3,-1.1 4,-0.1 -1,-0.3 -0.998 96.8-108.5-129.0 135.7 -36.7 38.3 28.7 52 53 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.325 100.8 8.9 -68.3 140.4 -36.9 36.6 32.1 53 54 A N T 3 S+ 0 0 149 1,-0.2 2,-0.3 -7,-0.0 3,-0.0 0.077 105.5 108.1 76.2 -21.8 -40.3 34.9 32.9 54 55 A V S < S- 0 0 37 -3,-1.1 -3,-0.3 1,-0.1 -1,-0.2 -0.689 83.6 -99.6 -88.5 137.7 -41.5 35.5 29.2 55 56 A D - 0 0 25 -2,-0.3 -5,-0.2 1,-0.1 -9,-0.2 -0.299 47.5-109.6 -56.5 133.6 -41.8 32.5 26.9 56 57 A S > - 0 0 0 -11,-1.7 4,-2.5 -12,-0.4 -7,-0.2 -0.146 17.5-113.3 -65.3 160.2 -38.7 32.4 24.6 57 58 A L H > S+ 0 0 3 -9,-0.4 4,-2.2 2,-0.2 5,-0.1 0.741 117.4 66.1 -63.6 -23.5 -38.8 33.1 20.9 58 59 A Y H > S+ 0 0 0 -11,-0.5 4,-0.6 -14,-0.3 -1,-0.2 0.961 108.4 38.3 -59.6 -49.9 -38.0 29.4 20.5 59 60 A F H >> S+ 0 0 0 -15,-0.8 3,-1.0 -12,-0.2 4,-0.8 0.945 117.1 48.4 -66.2 -49.5 -41.4 28.6 21.9 60 61 A T H >< S+ 0 0 5 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.886 109.5 52.1 -65.5 -35.7 -43.3 31.4 20.3 61 62 A M H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 320,-0.2 0.619 118.5 37.3 -76.3 -12.3 -41.9 30.8 16.8 62 63 A F H << S+ 0 0 0 -3,-1.0 -39,-0.2 -4,-0.6 -1,-0.2 0.333 116.4 50.4-114.5 1.6 -42.9 27.1 16.9 63 64 A N << + 0 0 0 -4,-0.8 3,-0.4 -3,-0.6 -2,-0.2 0.202 68.7 128.6-136.1 21.9 -46.2 27.2 18.8 64 65 A C + 0 0 0 -4,-0.5 332,-0.2 1,-0.2 -38,-0.2 -0.322 69.2 33.0 -64.3 158.1 -48.4 29.8 17.1 65 66 A N S S+ 0 0 29 330,-1.7 -33,-0.5 1,-0.2 2,-0.3 0.870 100.3 107.9 55.1 43.8 -51.9 28.7 16.1 66 67 A K - 0 0 10 -3,-0.4 2,-0.3 330,-0.4 -1,-0.2 -0.982 59.1-141.0-141.8 153.2 -52.2 26.4 19.1 67 68 A R E -c 33 0A 35 -35,-2.2 -33,-3.4 -2,-0.3 2,-0.5 -0.820 23.0-135.6-106.9 156.8 -54.0 26.2 22.4 68 69 A S E +c 34 0A 0 -2,-0.3 335,-2.3 331,-0.2 336,-0.4 -0.959 21.1 177.0-122.4 127.1 -52.4 24.9 25.6 69 70 A I E -c 35 0A 0 -35,-2.3 -33,-2.4 -2,-0.5 2,-0.4 -0.991 24.2-137.5-120.4 133.3 -53.7 22.5 28.2 70 71 A E E +c 36 0A 34 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.773 31.5 171.6 -83.7 135.4 -51.5 21.4 31.1 71 72 A L - 0 0 6 -35,-2.6 2,-0.9 -2,-0.4 -33,-0.3 -0.984 34.0-147.7-150.2 130.1 -51.9 17.7 31.9 72 73 A D > - 0 0 60 354,-2.1 3,-1.1 -2,-0.3 6,-0.3 -0.880 18.6-175.7 -94.8 100.5 -50.1 15.2 34.2 73 74 A M T 3 S+ 0 0 13 -2,-0.9 -1,-0.1 1,-0.2 6,-0.1 0.514 74.3 72.5 -78.6 -5.9 -50.4 12.0 32.0 74 75 A K T 3 S+ 0 0 175 4,-0.1 -1,-0.2 -3,-0.0 352,-0.0 0.669 84.9 80.7 -78.9 -19.5 -48.8 9.9 34.8 75 76 A T S <> S- 0 0 27 -3,-1.1 4,-1.3 1,-0.1 3,-0.1 -0.545 86.2-126.6 -81.6 153.7 -52.0 10.2 36.9 76 77 A P H > S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.788 110.2 55.9 -71.5 -28.0 -55.0 7.9 36.1 77 78 A E H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.807 105.1 53.6 -71.8 -30.9 -57.4 10.9 35.8 78 79 A G H > S+ 0 0 0 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.861 106.3 51.9 -67.9 -39.0 -55.1 12.4 33.1 79 80 A K H X S+ 0 0 59 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.878 107.8 52.3 -63.0 -40.3 -55.2 9.1 31.2 80 81 A E H X S+ 0 0 112 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.902 110.2 48.5 -61.8 -42.0 -59.0 9.2 31.3 81 82 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.902 108.9 53.2 -65.0 -43.4 -58.9 12.8 29.9 82 83 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.882 106.6 52.8 -57.8 -41.8 -56.6 11.7 27.1 83 84 A E H X S+ 0 0 45 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.890 109.1 49.1 -63.5 -41.5 -58.9 8.9 26.1 84 85 A Q H X S+ 0 0 58 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.880 113.3 47.5 -63.0 -39.2 -61.8 11.4 25.9 85 86 A M H >X S+ 0 0 10 -4,-2.1 3,-0.7 1,-0.2 4,-0.7 0.850 107.3 55.7 -72.3 -35.7 -59.6 13.8 23.8 86 87 A I H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.849 101.8 58.1 -64.9 -34.1 -58.4 10.9 21.5 87 88 A K H 3< S+ 0 0 127 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 111.0 42.0 -70.4 -20.8 -62.1 10.1 20.7 88 89 A K H << S+ 0 0 117 -3,-0.7 2,-0.2 -4,-0.5 -1,-0.2 0.493 99.9 94.3-100.3 -6.6 -62.6 13.7 19.4 89 90 A A << - 0 0 7 -4,-0.7 -80,-0.2 -3,-0.6 3,-0.1 -0.610 53.4-162.8 -93.0 144.5 -59.3 14.0 17.5 90 91 A D S S+ 0 0 28 -82,-2.3 29,-1.7 1,-0.3 2,-0.3 0.711 84.4 16.1 -86.6 -31.6 -58.5 13.3 13.8 91 92 A V E -bd 9 119A 0 -83,-1.9 -81,-2.7 27,-0.2 2,-0.4 -0.985 59.5-158.5-148.8 141.2 -54.7 13.1 14.5 92 93 A M E -bd 10 120A 0 27,-3.0 29,-2.8 -2,-0.3 2,-0.4 -0.951 15.5-165.5-113.5 132.2 -52.4 12.7 17.4 93 94 A V E +bd 11 121A 0 -83,-2.4 -81,-2.3 -2,-0.4 -80,-0.4 -0.981 11.3 170.2-125.6 130.5 -48.8 13.8 17.1 94 95 A E E + d 0 122A 8 27,-2.3 29,-1.9 -2,-0.4 -81,-0.1 -0.998 23.3 175.4-140.9 141.6 -46.0 12.9 19.4 95 96 A N + 0 0 21 -2,-0.3 -81,-0.1 27,-0.2 -77,-0.1 -0.238 40.3 133.3-135.4 45.5 -42.2 13.3 19.5 96 97 A F - 0 0 33 1,-0.2 3,-0.1 -83,-0.1 27,-0.1 -0.324 69.3 -68.1 -76.5 175.2 -41.4 12.0 23.0 97 98 A G S > S- 0 0 24 1,-0.2 3,-1.9 -2,-0.1 4,-0.4 -0.145 73.7 -68.2 -61.6 160.2 -38.6 9.5 23.4 98 99 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 36,-0.0 -0.275 120.7 5.7 -52.7 130.3 -38.9 6.0 22.0 99 100 A G T 3> S+ 0 0 27 -3,-0.1 4,-2.0 1,-0.1 5,-0.1 0.337 93.1 118.7 78.4 -4.5 -41.6 3.9 23.8 100 101 A A H <> S+ 0 0 19 -3,-1.9 4,-1.2 1,-0.2 6,-0.2 0.927 77.6 43.3 -61.4 -51.9 -42.8 6.9 26.0 101 102 A L H 4>S+ 0 0 5 -4,-0.4 5,-1.9 1,-0.2 3,-0.3 0.886 112.5 55.4 -58.4 -41.7 -46.4 7.0 24.7 102 103 A D H >45S+ 0 0 84 1,-0.2 3,-1.3 3,-0.2 5,-0.3 0.875 104.7 53.1 -57.4 -41.4 -46.5 3.2 24.9 103 104 A R H 3<5S+ 0 0 190 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.754 99.7 61.4 -68.7 -29.3 -45.5 3.3 28.7 104 105 A M T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.481 127.1-101.1 -72.8 -4.3 -48.4 5.8 29.4 105 106 A G T < 5S+ 0 0 40 -3,-1.3 2,-0.7 -4,-0.2 -3,-0.2 0.428 92.5 116.5 99.2 3.1 -50.7 2.9 28.2 106 107 A F < + 0 0 2 -5,-1.9 -3,-0.1 -6,-0.2 -2,-0.1 -0.579 33.9 160.1-111.2 68.3 -51.3 4.4 24.8 107 108 A T > - 0 0 40 -2,-0.7 4,-2.1 -5,-0.3 5,-0.2 -0.324 57.6-101.6 -71.9 166.5 -49.9 1.9 22.3 108 109 A W H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.907 123.6 54.1 -57.1 -42.3 -51.1 2.0 18.7 109 110 A E H > S+ 0 0 138 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.895 109.5 45.8 -62.6 -40.7 -53.3 -1.0 19.4 110 111 A Y H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 110.6 53.3 -71.5 -35.5 -55.1 0.7 22.3 111 112 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 7,-0.2 0.859 104.5 56.0 -65.6 -35.9 -55.5 4.0 20.4 112 113 A Q H < S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 105.9 51.5 -63.9 -38.5 -57.2 2.2 17.6 113 114 A E H < S+ 0 0 143 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.8 46.6 -60.8 -46.4 -59.8 0.8 20.0 114 115 A L H < S+ 0 0 18 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.900 135.9 3.9 -64.9 -42.3 -60.5 4.3 21.4 115 116 A N >< - 0 0 19 -4,-2.4 3,-1.1 -5,-0.1 -1,-0.3 -0.807 55.4-170.7-150.1 97.7 -60.8 5.8 17.9 116 117 A P T 3 S+ 0 0 55 0, 0.0 76,-2.2 0, 0.0 -4,-0.1 0.520 92.2 55.3 -65.9 -5.6 -60.6 3.7 14.7 117 118 A R T 3 S+ 0 0 116 74,-0.3 76,-0.2 -28,-0.1 2,-0.1 0.583 84.5 105.4 -95.7 -17.8 -60.5 7.0 12.7 118 119 A V < - 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