==== 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 1VGR . 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) . 30625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 66.3 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 . 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 . 3 0.4 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 . 119 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 6 2 2 7 3 2 3 4 0 3 0 0 0 0 0 0 0 2 0 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 . 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 0 106 0, 0.0 388,-0.1 0, 0.0 612,-0.1 0.000 360.0 360.0 360.0-112.1 -60.9 27.6 2.7 2 3 A K > - 0 0 37 1,-0.1 3,-1.5 27,-0.1 26,-0.1 -0.728 360.0-129.9 -92.1 137.6 -58.0 26.2 4.9 3 4 A P T 3 S+ 0 0 8 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.821 103.6 33.0 -50.2 -46.1 -56.7 22.7 4.0 4 5 A L T > S+ 0 0 0 24,-2.7 3,-2.1 21,-0.2 27,-0.3 0.074 79.6 142.6-108.9 21.6 -56.9 21.2 7.5 5 6 A D T < S+ 0 0 92 -3,-1.5 25,-0.2 23,-0.3 3,-0.1 -0.423 74.3 24.8 -56.9 134.3 -59.9 23.0 8.8 6 7 A G T 3 S+ 0 0 53 23,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.419 92.0 124.1 87.2 -0.5 -61.9 20.6 10.9 7 8 A I < - 0 0 11 -3,-2.1 24,-2.7 22,-0.2 2,-0.5 -0.849 47.9-154.6 -99.0 120.8 -58.8 18.4 11.8 8 9 A N E -a 31 0A 52 -2,-0.6 82,-2.3 22,-0.2 83,-1.9 -0.821 7.9-162.8-101.2 129.8 -58.2 18.0 15.5 9 10 A V E -ab 32 91A 2 22,-2.8 24,-2.7 -2,-0.5 2,-0.8 -0.956 14.2-154.0-120.6 121.3 -54.6 17.3 16.6 10 11 A L E -ab 33 92A 5 81,-3.0 83,-2.6 -2,-0.5 2,-0.8 -0.863 23.7-163.1 -91.3 108.4 -53.7 15.8 19.9 11 12 A D E +ab 34 93A 0 22,-2.7 24,-2.8 -2,-0.8 83,-0.2 -0.817 27.8 162.9-111.7 97.6 -50.1 17.2 20.2 12 13 A F + 0 0 2 81,-2.5 83,-0.3 -2,-0.8 82,-0.2 0.279 41.9 124.9 -88.6 9.5 -47.9 15.5 22.8 13 14 A T - 0 0 3 80,-0.3 2,-0.3 81,-0.1 29,-0.1 -0.299 35.1-177.6 -87.3 159.1 -44.7 16.9 21.3 14 15 A H + 0 0 32 28,-0.1 2,-0.6 -2,-0.0 4,-0.5 -0.905 50.6 16.8-138.3 167.7 -41.9 19.0 22.6 15 16 A V S S- 0 0 9 -2,-0.3 673,-0.0 1,-0.2 -2,-0.0 -0.573 107.3 -46.8 73.9-114.1 -38.6 20.6 21.5 16 17 A Q S > S+ 0 0 0 -2,-0.6 4,-2.8 3,-0.1 5,-0.2 0.814 116.4 52.6-126.0 -58.8 -38.5 20.9 17.6 17 18 A A H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.950 117.3 38.7 -54.9 -57.1 -39.4 18.2 15.1 18 19 A G H > S+ 0 0 0 -4,-0.5 4,-2.1 1,-0.2 5,-0.2 0.941 117.5 48.0 -60.9 -54.4 -42.8 17.4 16.6 19 20 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.852 109.0 55.2 -57.5 -34.0 -43.8 21.0 17.4 20 21 A A H X S+ 0 0 4 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.896 109.0 48.7 -62.0 -40.9 -42.7 22.2 13.9 21 22 A C H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.950 114.5 42.1 -66.3 -50.8 -45.0 19.6 12.3 22 23 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.764 112.2 55.5 -71.5 -25.9 -48.1 20.4 14.4 23 24 A Q H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.901 108.6 47.7 -67.9 -41.4 -47.5 24.2 14.1 24 25 A M H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.3 -2,-0.2 0.876 110.4 50.4 -70.7 -37.7 -47.4 24.0 10.3 25 26 A M H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-0.4 0.916 110.3 53.1 -60.7 -42.8 -50.6 21.9 10.4 26 27 A G H ><5S+ 0 0 2 -4,-1.9 3,-1.6 1,-0.2 -2,-0.3 0.872 104.4 53.5 -53.7 -42.4 -51.9 24.7 12.6 27 28 A F H 3<5S+ 0 0 1 -4,-2.0 366,-0.3 1,-0.3 -1,-0.2 0.767 106.7 53.4 -67.0 -27.5 -50.9 27.3 10.0 28 29 A L T 3<5S- 0 0 0 -4,-1.2 -24,-2.7 -3,-0.4 -23,-0.3 0.212 133.9 -87.7 -94.4 10.5 -53.0 25.3 7.4 29 30 A G T < 5S+ 0 0 20 -3,-1.6 -23,-0.5 1,-0.3 -3,-0.2 0.394 75.3 147.3 108.6 -1.0 -56.0 25.4 9.7 30 31 A A < - 0 0 10 -5,-2.4 2,-0.9 -25,-0.2 -1,-0.3 -0.358 51.6-122.9 -66.0 146.7 -55.8 22.4 12.0 31 32 A N E -a 8 0A 51 -24,-2.7 -22,-2.8 -27,-0.3 2,-0.5 -0.849 36.9-166.9 -88.9 104.3 -57.1 22.7 15.6 32 33 A V E -a 9 0A 3 -2,-0.9 35,-2.2 33,-0.4 2,-0.6 -0.868 14.5-170.0-108.7 120.4 -54.0 21.8 17.6 33 34 A I E -ac 10 67A 16 -24,-2.7 -22,-2.7 -2,-0.5 2,-0.6 -0.928 13.2-152.5-109.6 108.7 -54.1 21.0 21.3 34 35 A K E -ac 11 68A 0 33,-3.6 35,-2.4 -2,-0.6 2,-0.6 -0.717 5.0-151.7 -84.2 119.1 -50.7 20.9 22.9 35 36 A I E + c 0 69A 9 -24,-2.8 2,-0.3 -2,-0.6 35,-0.2 -0.861 24.4 179.0 -93.1 122.6 -50.6 18.6 25.9 36 37 A E E - c 0 70A 8 33,-2.4 35,-2.3 -2,-0.6 2,-0.1 -0.847 32.3 -94.3-126.9 156.5 -47.9 19.7 28.4 37 38 A R > - 0 0 135 -2,-0.3 4,-1.0 33,-0.2 2,-0.2 -0.429 49.2-102.0 -64.6 141.9 -46.4 18.8 31.8 38 39 A R T 4 S+ 0 0 96 1,-0.2 2,-0.7 2,-0.1 -1,-0.1 -0.489 100.3 5.3 -62.5 127.6 -47.9 20.5 34.8 39 40 A G T 4 S+ 0 0 66 -2,-0.2 -1,-0.2 1,-0.2 361,-0.1 -0.336 138.0 33.8 100.7 -50.1 -45.5 23.3 36.1 40 41 A S T 4 S- 0 0 80 -2,-0.7 -1,-0.2 1,-0.1 5,-0.2 0.751 78.9-178.3-109.7 -37.7 -42.8 23.3 33.4 41 42 A G < + 0 0 3 -4,-1.0 -3,-0.1 4,-0.1 -1,-0.1 -0.157 57.6 4.8 60.9-160.1 -44.5 22.4 30.1 42 43 A D S > S- 0 0 5 1,-0.2 3,-2.1 -29,-0.1 4,-0.4 -0.297 74.3-128.7 -56.1 128.1 -42.5 22.1 26.9 43 44 A M G > S+ 0 0 34 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.713 102.1 72.8 -58.6 -20.8 -38.8 22.5 27.7 44 45 A T G > S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 15,-0.7 0.764 81.2 73.3 -65.6 -22.6 -38.4 25.2 25.0 45 46 A R G < S+ 0 0 10 -3,-2.1 11,-1.6 1,-0.2 -1,-0.2 0.876 108.1 31.8 -55.5 -41.5 -40.4 27.6 27.2 46 47 A G G < S+ 0 0 48 -3,-0.8 2,-0.6 -4,-0.4 3,-0.4 0.322 98.3 103.3 -98.4 4.2 -37.3 27.9 29.5 47 48 A W S < S- 0 0 37 -3,-0.8 11,-0.5 -4,-0.4 12,-0.2 -0.806 96.3 -13.4 -97.9 124.2 -34.5 27.4 26.9 48 49 A L S S- 0 0 39 -2,-0.6 9,-0.4 1,-0.2 10,-0.2 0.897 81.4-171.0 59.8 46.6 -32.5 30.4 25.7 49 50 A Q - 0 0 74 -3,-0.4 -1,-0.2 7,-0.2 7,-0.1 -0.454 21.5-159.8 -66.9 134.6 -34.9 33.0 27.1 50 51 A D S S+ 0 0 24 1,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.747 88.8 28.3 -87.1 -29.0 -34.2 36.6 25.9 51 52 A K S > S- 0 0 121 3,-0.3 3,-1.4 4,-0.1 -1,-0.3 -0.999 94.0-118.7-128.4 135.0 -36.2 37.9 28.9 52 53 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.381 98.3 23.7 -75.5 146.9 -36.5 35.8 32.1 53 54 A N T 3 S+ 0 0 164 1,-0.2 2,-0.4 -7,-0.0 -7,-0.0 0.165 106.2 100.7 81.8 -14.1 -40.0 34.7 33.2 54 55 A V S < S- 0 0 44 -3,-1.4 -3,-0.3 1,-0.0 -1,-0.2 -0.886 86.1-101.3-109.0 131.4 -41.1 35.0 29.5 55 56 A D - 0 0 27 -2,-0.4 -9,-0.2 1,-0.1 -10,-0.2 -0.164 48.3-109.9 -47.2 132.9 -41.5 32.1 27.1 56 57 A S > - 0 0 0 -11,-1.6 4,-2.1 -12,-0.4 3,-0.3 -0.151 16.2-114.8 -66.7 156.9 -38.4 31.9 24.9 57 58 A L H > S+ 0 0 3 -9,-0.4 4,-1.9 1,-0.2 5,-0.2 0.781 117.1 68.5 -58.7 -25.8 -38.4 32.7 21.2 58 59 A Y H 4 S+ 0 0 5 -11,-0.5 4,-0.5 -14,-0.2 -1,-0.2 0.946 107.2 37.9 -55.8 -47.0 -37.5 28.9 20.9 59 60 A F H >> S+ 0 0 0 -15,-0.7 3,-0.9 -3,-0.3 4,-0.6 0.926 115.9 48.6 -71.8 -46.3 -41.0 28.2 22.1 60 61 A T H >X S+ 0 0 4 -4,-2.1 3,-0.8 1,-0.3 4,-0.6 0.893 108.6 53.0 -69.6 -34.4 -43.1 30.9 20.4 61 62 A M H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.2 320,-0.2 0.625 117.7 38.3 -76.2 -13.2 -41.6 30.4 16.9 62 63 A F H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.346 117.2 50.0-112.4 3.2 -42.5 26.7 17.1 63 64 A N H << + 0 0 0 -3,-0.8 3,-0.4 -4,-0.6 -2,-0.2 0.224 68.1 128.2-138.0 21.2 -45.8 26.9 18.9 64 65 A C S < S+ 0 0 0 -4,-0.6 332,-0.2 1,-0.2 -38,-0.2 -0.310 70.0 32.6 -63.3 156.6 -48.0 29.4 17.2 65 66 A N S S+ 0 0 27 330,-1.9 -33,-0.4 331,-0.2 2,-0.3 0.882 100.0 109.9 58.2 42.4 -51.6 28.3 16.2 66 67 A K - 0 0 10 -3,-0.4 2,-0.3 330,-0.4 -1,-0.2 -0.977 57.5-142.9-140.3 154.1 -51.8 26.0 19.2 67 68 A R E -c 33 0A 34 -35,-2.2 -33,-3.6 -2,-0.3 2,-0.4 -0.852 21.5-137.8-112.4 153.5 -53.7 25.8 22.5 68 69 A S E +c 34 0A 0 -2,-0.3 335,-2.2 331,-0.2 2,-0.4 -0.950 19.7 177.7-121.0 128.5 -52.2 24.5 25.7 69 70 A I E -c 35 0A 8 -35,-2.4 -33,-2.4 -2,-0.4 2,-0.4 -0.982 24.1-136.3-118.2 140.0 -53.5 22.2 28.4 70 71 A E E +c 36 0A 34 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.771 33.5 167.2 -86.5 141.7 -51.5 21.1 31.4 71 72 A L - 0 0 6 -35,-2.3 2,-1.0 -2,-0.4 356,-0.2 -0.883 35.1-147.1-162.2 120.0 -52.0 17.4 32.1 72 73 A D > - 0 0 64 354,-2.3 3,-0.8 -2,-0.3 6,-0.3 -0.841 17.3-174.0 -85.8 102.4 -50.2 14.9 34.4 73 74 A M T 3 S+ 0 0 15 -2,-1.0 -1,-0.2 1,-0.2 9,-0.1 0.751 75.0 73.0 -69.8 -24.9 -50.7 11.7 32.3 74 75 A K T 3 S+ 0 0 160 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.0 0.709 83.6 81.0 -65.8 -22.2 -49.1 9.6 35.1 75 76 A T S <> S- 0 0 29 -3,-0.8 4,-0.6 351,-0.1 3,-0.0 -0.516 86.0-127.1 -77.9 153.9 -52.3 10.0 37.2 76 77 A P H > S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.789 110.2 56.3 -69.3 -30.2 -55.3 7.7 36.4 77 78 A E H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.808 104.3 54.4 -70.8 -29.7 -57.6 10.7 36.1 78 79 A G H > S+ 0 0 0 -6,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.674 103.9 55.8 -74.8 -21.1 -55.3 12.1 33.4 79 80 A K H X S+ 0 0 65 -4,-0.6 4,-1.5 -3,-0.3 -2,-0.2 0.848 105.3 50.2 -78.0 -37.7 -55.6 8.9 31.5 80 81 A E H X S+ 0 0 121 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.803 109.4 52.5 -70.4 -29.5 -59.4 9.0 31.3 81 82 A L H X S+ 0 0 7 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.925 108.1 51.4 -66.4 -45.9 -59.1 12.6 30.0 82 83 A L H X S+ 0 0 1 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.830 106.2 54.7 -58.4 -35.2 -56.7 11.4 27.3 83 84 A E H X S+ 0 0 49 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.901 108.6 47.4 -70.0 -39.8 -59.2 8.7 26.3 84 85 A Q H < S+ 0 0 74 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.863 114.1 48.3 -66.2 -35.9 -62.0 11.3 25.8 85 86 A M H >X S+ 0 0 6 -4,-1.9 3,-1.1 1,-0.2 4,-0.7 0.882 107.5 54.2 -73.1 -39.6 -59.6 13.5 23.8 86 87 A I H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.877 102.5 58.3 -62.8 -36.7 -58.4 10.7 21.6 87 88 A K T 3< S+ 0 0 135 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.665 110.8 42.7 -68.9 -16.7 -61.9 9.9 20.7 88 89 A K T <4 S+ 0 0 125 -3,-1.1 2,-0.2 -4,-0.4 -1,-0.2 0.493 99.4 94.5-102.6 -7.7 -62.3 13.5 19.3 89 90 A A << - 0 0 4 -3,-0.8 -80,-0.2 -4,-0.7 3,-0.1 -0.603 51.0-166.7 -91.6 144.4 -58.9 13.6 17.6 90 91 A D S S+ 0 0 24 -82,-2.3 29,-2.0 1,-0.3 2,-0.3 0.666 83.3 22.5 -91.0 -30.2 -58.1 12.9 13.9 91 92 A V E -bd 9 119A 0 -83,-1.9 -81,-3.0 27,-0.2 2,-0.4 -0.988 58.4-162.7-146.2 138.1 -54.4 12.8 14.6 92 93 A M E -bd 10 120A 1 27,-3.4 29,-3.3 -2,-0.3 2,-0.4 -0.958 15.4-167.7-111.6 130.2 -52.1 12.2 17.6 93 94 A V E +bd 11 121A 0 -83,-2.6 -81,-2.5 -2,-0.4 2,-0.3 -0.982 12.2 167.4-123.6 129.1 -48.5 13.4 17.3 94 95 A E E + d 0 122A 7 27,-2.5 29,-1.7 -2,-0.4 -81,-0.1 -0.992 21.7 171.0-137.3 147.7 -45.7 12.4 19.7 95 96 A N + 0 0 16 -2,-0.3 5,-0.3 -83,-0.3 6,-0.3 0.370 35.4 124.1-105.6 -95.2 -42.0 12.5 20.0 96 97 A F S S- 0 0 50 -82,-0.1 27,-0.1 4,-0.1 -2,-0.0 0.142 79.2 -33.1 55.0 174.4 -40.8 11.5 23.5 97 98 A G S > S- 0 0 18 1,-0.1 3,-1.9 2,-0.1 4,-0.4 -0.146 80.1 -88.7 -53.4 155.5 -38.3 8.7 23.9 98 99 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 0.596 123.8 20.2 -47.0 -22.9 -38.6 5.8 21.4 99 100 A G T 3> S+ 0 0 19 35,-0.1 4,-1.1 2,-0.1 -2,-0.1 -0.088 88.6 114.0-139.2 41.1 -41.2 3.9 23.6 100 101 A A H <> S+ 0 0 19 -3,-1.9 4,-0.9 -5,-0.3 -4,-0.1 0.851 74.6 49.7 -86.6 -41.2 -42.6 6.5 26.0 101 102 A L H 4>S+ 0 0 2 -4,-0.4 5,-1.5 -6,-0.3 -1,-0.2 0.809 109.8 55.5 -64.5 -31.4 -46.3 6.7 24.9 102 103 A D H >45S+ 0 0 73 1,-0.2 3,-1.7 3,-0.2 5,-0.2 0.923 102.3 54.9 -67.9 -46.6 -46.4 2.9 25.1 103 104 A R H 3<5S+ 0 0 193 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.770 100.1 63.0 -53.6 -32.2 -45.2 2.9 28.7 104 105 A M T 3<5S- 0 0 38 -4,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.318 123.5 -98.7 -83.0 7.1 -48.1 5.2 29.6 105 106 A G T < 5S+ 0 0 42 -3,-1.7 2,-0.2 1,-0.1 -3,-0.2 0.674 96.1 107.9 85.4 20.3 -50.8 2.7 28.6 106 107 A F < + 0 0 3 -5,-1.5 2,-0.1 -4,-0.2 -2,-0.1 -0.594 40.9 164.0-130.4 68.8 -51.5 4.1 25.2 107 108 A T > - 0 0 46 -5,-0.2 4,-2.5 -2,-0.2 3,-0.5 -0.451 54.7-104.0 -81.3 159.2 -50.1 1.6 22.7 108 109 A W H > S+ 0 0 27 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.918 123.8 56.7 -47.5 -44.7 -51.1 1.7 19.0 109 110 A E H > S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.878 109.5 42.7 -56.7 -46.3 -53.2 -1.3 19.7 110 111 A Y H > S+ 0 0 61 -3,-0.5 4,-1.8 1,-0.2 3,-0.3 0.887 109.1 58.5 -68.9 -39.3 -55.2 0.4 22.5 111 112 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 7,-0.2 0.856 101.7 55.6 -59.2 -36.2 -55.5 3.7 20.5 112 113 A Q H < S+ 0 0 55 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.865 104.8 52.7 -67.6 -38.6 -57.3 1.9 17.7 113 114 A E H < S+ 0 0 146 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.929 112.5 44.8 -58.4 -47.6 -59.9 0.5 20.1 114 115 A L H < S+ 0 0 24 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.897 137.2 4.3 -66.5 -41.4 -60.7 4.1 21.4 115 116 A N >< - 0 0 20 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.3 -0.793 55.0-172.2-149.7 99.4 -60.8 5.6 17.9 116 117 A P T 3 S+ 0 0 58 0, 0.0 76,-2.0 0, 0.0 -4,-0.1 0.512 91.2 57.0 -69.3 -3.5 -60.4 3.5 14.7 117 118 A R T 3 S+ 0 0 114 74,-0.3 76,-0.2 -28,-0.1 2,-0.1 0.578 83.1 105.6 -95.9 -17.9 -60.3 6.8 12.8 118 119 A V < - 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