==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JAN-09 3FSU . COMPND 2 MOLECULE: 5,10-METHYLENETETRAHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR J.J.TANNER . 831 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 51 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.6 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 3 0 3 3 4 1 6 4 4 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 9 6 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 6 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 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 3 A F > 0 0 227 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 92.3 21.5 0.0 50.4 2 4 A F H > + 0 0 77 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 360.0 50.6 -59.2 -50.4 23.0 0.2 46.9 3 5 A H H > S+ 0 0 175 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 113.1 45.9 -62.2 -39.0 24.3 -3.3 46.4 4 6 A A H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.959 114.5 47.1 -66.9 -50.5 21.1 -5.0 47.5 5 7 A S H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.918 111.0 52.7 -56.1 -45.9 18.9 -2.7 45.3 6 8 A Q H X S+ 0 0 42 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.894 109.0 50.1 -58.6 -42.0 21.3 -3.2 42.3 7 9 A R H X S+ 0 0 153 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.909 109.4 49.9 -62.7 -44.9 21.0 -7.0 42.7 8 10 A D H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.909 113.3 46.9 -61.7 -43.0 17.2 -7.0 42.8 9 11 A A H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.912 113.4 47.8 -65.7 -45.0 17.1 -4.8 39.7 10 12 A L H X S+ 0 0 46 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.889 113.7 47.8 -62.2 -41.6 19.6 -6.9 37.8 11 13 A N H X S+ 0 0 52 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.901 112.6 47.8 -67.6 -41.3 17.7 -10.1 38.8 12 14 A Q H X S+ 0 0 45 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.901 110.3 51.7 -69.3 -39.1 14.3 -8.8 37.8 13 15 A S H < S+ 0 0 12 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.927 109.0 51.4 -62.0 -41.6 15.7 -7.5 34.5 14 16 A L H >< S+ 0 0 21 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.915 106.6 54.5 -59.3 -42.3 17.1 -11.0 33.8 15 17 A A H >< S+ 0 0 52 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.833 104.9 53.8 -61.5 -30.3 13.7 -12.5 34.6 16 18 A E T 3< S+ 0 0 39 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.483 90.0 77.3 -86.6 -1.1 12.0 -10.3 32.0 17 19 A V T X + 0 0 1 -3,-1.5 3,-1.6 -4,-0.4 4,-0.3 0.711 63.2 134.9 -77.3 -22.6 14.4 -11.4 29.3 18 20 A Q T < S+ 0 0 108 -3,-0.8 265,-0.2 -4,-0.4 266,-0.1 0.078 72.7 14.2 -35.6 125.4 12.5 -14.7 28.9 19 21 A G T 3 S+ 0 0 75 264,-0.5 -1,-0.3 263,-0.2 264,-0.1 0.537 109.8 82.1 86.2 9.2 12.0 -15.5 25.2 20 22 A Q < + 0 0 84 -3,-1.6 2,-0.5 262,-0.3 -2,-0.1 0.507 65.1 94.0-120.6 -8.0 14.5 -13.0 23.8 21 23 A I - 0 0 14 261,-0.3 2,-0.4 -4,-0.3 242,-0.2 -0.786 54.8-156.9 -98.7 125.2 17.9 -14.8 24.1 22 24 A N E -a 263 0A 65 240,-2.7 242,-1.8 -2,-0.5 2,-0.3 -0.823 17.6-172.5 -93.3 137.4 19.4 -16.8 21.3 23 25 A V E -a 264 0A 5 -2,-0.4 29,-2.5 27,-0.2 30,-0.7 -0.914 13.2-168.8-129.9 157.9 21.9 -19.4 22.2 24 26 A S E -ab 265 53A 3 240,-1.9 242,-2.7 -2,-0.3 2,-0.4 -0.968 12.7-143.5-139.2 155.8 24.3 -21.8 20.5 25 27 A F E -ab 266 54A 0 28,-1.1 30,-2.5 -2,-0.3 2,-0.5 -0.977 4.1-150.4-127.2 136.4 26.4 -24.7 21.8 26 28 A Q E +ab 267 55A 20 240,-2.8 242,-1.3 -2,-0.4 244,-0.6 -0.911 18.5 176.5-106.2 131.6 29.9 -25.9 20.9 27 29 A F E - b 0 56A 4 28,-2.8 30,-2.5 -2,-0.5 -2,-0.0 -0.732 16.8-141.8-122.1 170.2 30.9 -29.5 21.1 28 30 A F - 0 0 58 -2,-0.2 30,-0.1 28,-0.2 11,-0.0 -0.942 36.8 -86.5-131.5 156.0 34.1 -31.5 20.2 29 31 A P - 0 0 25 0, 0.0 39,-0.1 0, 0.0 7,-0.1 -0.449 48.9-118.8 -65.4 126.0 34.5 -34.9 18.7 30 32 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 41,-0.0 -0.286 20.6-164.5 -62.2 148.2 34.5 -37.6 21.4 31 33 A R S S+ 0 0 197 1,-0.1 2,-0.3 0, 0.0 3,-0.0 0.445 70.6 40.7-114.1 -6.1 37.7 -39.6 21.8 32 34 A T S > S- 0 0 81 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.939 82.8-115.0-137.2 160.9 36.3 -42.5 23.9 33 35 A S H > S+ 0 0 111 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.868 118.5 56.3 -62.5 -34.0 33.1 -44.5 24.0 34 36 A E H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 110.0 42.9 -62.7 -45.5 32.4 -42.9 27.4 35 37 A M H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.837 109.5 58.7 -69.4 -33.0 32.7 -39.4 25.9 36 38 A E H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.954 108.3 45.6 -59.8 -48.1 30.6 -40.4 22.9 37 39 A Q H X S+ 0 0 135 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 112.7 50.4 -59.3 -47.2 27.8 -41.4 25.2 38 40 A T H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.916 109.7 51.7 -57.3 -45.8 28.1 -38.2 27.2 39 41 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.930 109.7 46.2 -60.5 -50.2 28.1 -36.1 24.1 40 42 A W H X S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.887 112.2 52.5 -67.2 -32.8 24.9 -37.6 22.6 41 43 A N H X S+ 0 0 92 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.937 112.2 45.7 -58.6 -47.5 23.2 -37.2 26.0 42 44 A S H X S+ 0 0 6 -4,-2.6 4,-3.0 228,-0.3 5,-0.3 0.877 110.3 53.6 -65.8 -38.6 24.2 -33.6 26.1 43 45 A I H X S+ 0 0 5 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.926 110.9 46.5 -62.5 -44.3 23.1 -33.1 22.5 44 46 A D H X S+ 0 0 66 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.942 115.8 46.0 -60.9 -47.0 19.6 -34.5 23.4 45 47 A R H >< S+ 0 0 131 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.939 117.9 40.5 -62.3 -51.3 19.4 -32.4 26.5 46 48 A L H >< S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.801 103.2 68.1 -73.4 -28.5 20.6 -29.1 25.0 47 49 A S H >< S+ 0 0 33 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 0.821 88.7 68.0 -59.3 -28.0 18.6 -29.6 21.7 48 50 A S T << S+ 0 0 46 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.657 90.2 63.7 -67.1 -14.8 15.4 -29.2 23.8 49 51 A L T < S- 0 0 8 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.415 106.6-127.5 -88.0 0.3 16.4 -25.5 24.3 50 52 A K < - 0 0 186 -3,-1.9 -27,-0.2 -4,-0.1 -3,-0.1 0.940 30.4-159.8 53.8 57.3 16.1 -24.8 20.6 51 53 A P - 0 0 9 0, 0.0 31,-0.3 0, 0.0 -27,-0.2 -0.304 25.2-122.6 -64.6 152.1 19.6 -23.3 20.0 52 54 A K S S- 0 0 112 -29,-2.5 30,-0.3 1,-0.2 2,-0.3 0.871 87.9 -26.9 -63.1 -38.4 20.0 -21.2 16.9 53 55 A F E -b 24 0A 3 -30,-0.7 -28,-1.1 28,-0.1 2,-0.3 -0.968 57.3-139.5-160.1 167.7 22.8 -23.5 15.9 54 56 A V E -bc 25 83A 3 28,-2.1 30,-3.1 -2,-0.3 2,-0.3 -0.924 19.3-155.2-125.8 162.4 25.4 -25.9 17.4 55 57 A S E -bc 26 84A 0 -30,-2.5 -28,-2.8 -2,-0.3 2,-0.4 -0.926 7.2-148.0-137.2 160.2 29.0 -26.3 16.3 56 58 A V E -bc 27 85A 0 28,-1.9 30,-2.5 -2,-0.3 -28,-0.2 -0.978 22.0-127.3-134.4 121.1 31.6 -29.0 16.4 57 59 A T - 0 0 33 -30,-2.5 2,-0.4 -2,-0.4 30,-0.0 -0.073 10.8-155.0 -63.2 161.1 35.4 -28.3 16.6 58 60 A Y - 0 0 23 -30,-0.1 2,-0.5 27,-0.1 7,-0.1 -0.932 20.2-131.2-138.7 110.8 38.1 -29.6 14.3 59 61 A G > - 0 0 45 -2,-0.4 3,-1.8 5,-0.1 4,-0.4 -0.510 26.9-122.4 -69.2 115.4 41.5 -29.8 15.8 60 62 A A T 3 S+ 0 0 20 -2,-0.5 -1,-0.1 1,-0.3 57,-0.1 -0.258 92.9 9.1 -54.5 137.5 44.0 -28.3 13.4 61 63 A N T 3 S+ 0 0 94 1,-0.1 -1,-0.3 27,-0.1 -2,-0.1 0.545 98.0 112.2 71.0 7.0 46.8 -30.6 12.3 62 64 A S < - 0 0 54 -3,-1.8 -2,-0.1 1,-0.0 -1,-0.1 0.809 69.3-144.6 -80.8 -32.3 45.0 -33.5 14.0 63 65 A G + 0 0 77 -4,-0.4 3,-0.2 1,-0.1 -3,-0.1 0.639 69.6 111.8 75.6 14.8 44.1 -35.3 10.7 64 66 A E >> + 0 0 86 -5,-0.4 3,-1.3 1,-0.2 4,-0.9 -0.148 25.9 132.5-111.1 35.9 40.8 -36.4 12.3 65 67 A R H 3> + 0 0 63 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.837 63.6 66.0 -57.1 -36.2 38.5 -34.3 10.1 66 68 A D H 3> S+ 0 0 128 -3,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.803 95.1 58.4 -60.2 -28.4 36.2 -37.2 9.4 67 69 A R H <> S+ 0 0 67 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.927 105.0 49.7 -65.7 -45.3 35.2 -37.3 13.0 68 70 A T H X S+ 0 0 4 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.936 112.4 46.6 -56.7 -49.4 34.0 -33.7 12.9 69 71 A H H X S+ 0 0 45 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.879 111.8 51.6 -64.3 -38.6 31.9 -34.4 9.7 70 72 A S H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.899 110.3 47.9 -66.6 -41.5 30.4 -37.6 11.1 71 73 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.923 110.3 53.1 -65.5 -43.0 29.3 -35.8 14.4 72 74 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 110.1 46.4 -58.6 -45.4 27.8 -33.0 12.4 73 75 A K H X S+ 0 0 117 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.912 110.5 54.2 -63.9 -40.6 25.7 -35.4 10.2 74 76 A G H X S+ 0 0 22 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 109.0 48.4 -59.1 -43.1 24.6 -37.3 13.3 75 77 A I H X>S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.6 0.930 112.5 47.0 -63.8 -47.2 23.4 -34.1 15.0 76 78 A K H X5S+ 0 0 56 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.933 115.6 45.7 -61.3 -46.1 21.4 -32.9 11.9 77 79 A D H <5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.896 119.9 40.4 -61.8 -42.1 19.9 -36.4 11.4 78 80 A R H <5S+ 0 0 126 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.837 132.2 16.3 -79.3 -35.9 19.0 -36.7 15.1 79 81 A T H <5S- 0 0 37 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.639 83.0-129.0-118.7 -22.7 17.8 -33.2 16.0 80 82 A G << + 0 0 69 -4,-1.7 -4,-0.2 -5,-0.6 -3,-0.1 0.505 62.3 142.1 77.8 3.9 17.0 -31.3 12.9 81 83 A L - 0 0 26 -6,-0.5 2,-0.5 1,-0.1 -1,-0.3 -0.358 63.6-102.2 -75.4 154.5 19.2 -28.5 14.2 82 84 A E - 0 0 71 -30,-0.3 -28,-2.1 -31,-0.3 2,-0.5 -0.683 43.7-166.8 -70.1 124.4 21.6 -26.3 12.2 83 85 A A E -c 54 0A 2 -2,-0.5 28,-0.3 -30,-0.2 -28,-0.2 -0.979 5.7-159.6-123.7 124.4 25.0 -27.8 12.9 84 86 A A E -c 55 0A 0 -30,-3.1 -28,-1.9 -2,-0.5 28,-0.2 -0.894 8.0-145.5-109.8 117.4 28.2 -25.9 11.9 85 87 A P E -c 56 0A 0 0, 0.0 28,-2.6 0, 0.0 2,-0.4 -0.499 17.7-126.8 -73.1 144.8 31.5 -27.7 11.5 86 88 A H E -e 113 0B 13 -30,-2.5 2,-0.4 26,-0.2 28,-0.2 -0.751 28.9-168.1 -82.0 142.7 34.6 -25.8 12.4 87 89 A L E -e 114 0B 14 26,-2.6 28,-2.8 -2,-0.4 2,-0.3 -1.000 5.2-163.0-137.0 131.9 37.1 -25.7 9.6 88 90 A T E -e 115 0B 12 -2,-0.4 28,-0.2 26,-0.2 29,-0.2 -0.818 10.8-163.3-114.8 155.4 40.8 -24.7 9.8 89 91 A C S > S+ 0 0 4 26,-0.9 3,-1.3 27,-0.6 33,-0.3 0.550 72.5 85.9-114.7 -8.1 43.1 -23.7 7.0 90 92 A I T 3 S+ 0 0 51 26,-2.1 27,-0.1 1,-0.3 -1,-0.1 0.766 99.7 39.1 -66.1 -21.2 46.5 -24.0 8.6 91 93 A D T 3 S+ 0 0 68 25,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.105 109.8 60.3-118.2 20.0 46.6 -27.7 7.8 92 94 A A S < S- 0 0 22 -3,-1.3 0, 0.0 4,-0.0 0, 0.0 -0.993 75.3-114.7-146.5 151.6 45.0 -28.0 4.3 93 95 A T > - 0 0 66 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.491 35.1-110.3 -81.4 157.1 45.6 -26.7 0.8 94 96 A P H > S+ 0 0 53 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.887 120.7 52.2 -52.9 -39.7 43.2 -24.3 -0.8 95 97 A D H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.917 109.9 47.5 -64.3 -43.8 42.2 -27.1 -3.2 96 98 A E H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 111.9 52.1 -61.1 -38.3 41.5 -29.5 -0.4 97 99 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.882 106.6 51.6 -69.7 -38.0 39.5 -26.8 1.4 98 100 A R H X S+ 0 0 82 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.890 111.2 48.6 -64.0 -39.3 37.3 -26.1 -1.6 99 101 A T H X S+ 0 0 57 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.931 112.1 48.1 -66.1 -45.9 36.5 -29.8 -1.9 100 102 A I H X S+ 0 0 57 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.925 113.9 47.9 -58.6 -44.2 35.7 -30.0 1.8 101 103 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.905 111.0 49.6 -66.9 -42.4 33.5 -26.9 1.5 102 104 A R H X S+ 0 0 115 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.893 110.2 50.9 -63.3 -40.2 31.7 -28.2 -1.6 103 105 A D H X S+ 0 0 80 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.905 110.3 49.9 -66.5 -40.5 31.0 -31.5 0.1 104 106 A Y H ><>S+ 0 0 9 -4,-2.1 5,-2.7 -5,-0.2 3,-1.0 0.967 111.9 48.1 -59.2 -52.7 29.6 -29.7 3.2 105 107 A W H ><5S+ 0 0 61 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.932 111.1 49.5 -55.2 -48.4 27.3 -27.5 1.0 106 108 A N H 3<5S+ 0 0 115 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.695 107.4 56.9 -65.9 -17.6 26.0 -30.5 -1.0 107 109 A N T <<5S- 0 0 93 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.233 124.3-102.8 -96.8 11.9 25.3 -32.3 2.3 108 110 A G T < 5S+ 0 0 35 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.602 81.7 132.9 81.7 11.7 23.1 -29.5 3.5 109 111 A I < + 0 0 2 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.848 18.0 156.3-100.1 103.9 25.8 -28.0 5.8 110 112 A R + 0 0 117 -2,-0.8 28,-2.8 -3,-0.1 2,-0.4 0.162 47.1 73.2-125.9 16.4 25.8 -24.3 5.1 111 113 A H E - 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