==== 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 OXIDOREDUCTASE 14-MAR-92 1DR1 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.A.MCTIGUE,J.F.DAVIES /II,B.T.KAUFMAN,N.-H.XUONG,J.KRAUT . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 11.8 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 17.2 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+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 1 0 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 0 1 0 1 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 . 1 2 1 0 0 0 0 1 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 . 1 0 0 0 0 0 0 1 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 1 A V 0 0 52 0, 0.0 3,-0.1 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 162.3 1.2 -1.6 19.7 2 2 A R - 0 0 92 1,-0.2 128,-0.6 127,-0.1 2,-0.3 0.841 360.0 -11.3 -70.7 -41.6 -0.4 -3.5 16.9 3 3 A S E -a 130 0A 49 126,-0.1 109,-0.4 2,-0.0 2,-0.3 -0.985 58.9-139.0-161.7 152.3 2.5 -3.5 14.5 4 4 A L E -a 131 0A 1 126,-2.4 128,-1.7 -2,-0.3 2,-0.3 -0.845 7.5-161.0-111.3 157.1 5.9 -1.9 13.9 5 5 A N E -ab 132 113A 13 107,-1.2 109,-2.3 -2,-0.3 2,-0.3 -0.969 7.4-169.6-132.9 144.4 7.6 -0.6 10.8 6 6 A S E -ab 133 114A 0 126,-1.7 128,-2.6 -2,-0.3 2,-0.3 -0.895 1.7-166.7-132.7 147.2 11.4 -0.0 10.5 7 7 A I E +a 134 0A 4 107,-1.9 2,-0.3 -2,-0.3 128,-0.2 -0.963 17.6 151.2-136.1 140.3 13.1 1.8 7.7 8 8 A V E -a 135 0A 11 126,-1.7 128,-2.3 -2,-0.3 2,-0.4 -0.947 34.8-137.0-158.8 157.3 16.8 1.9 6.9 9 9 A A E -a 136 0A 17 -2,-0.3 2,-0.3 126,-0.2 128,-0.2 -0.998 30.4-177.0-116.5 135.3 19.1 2.2 3.8 10 10 A V E -a 137 0A 0 126,-3.0 128,-3.0 -2,-0.4 6,-0.2 -0.945 17.2-139.6-133.3 149.4 22.1 -0.2 3.8 11 11 A C > - 0 0 3 4,-1.6 3,-2.4 -2,-0.3 130,-0.2 -0.295 45.9 -82.1 -96.3-179.7 25.1 -0.8 1.5 12 12 A Q T 3 S+ 0 0 113 128,-2.9 129,-0.2 126,-0.3 127,-0.1 0.758 129.9 49.7 -60.4 -27.4 26.6 -4.1 0.4 13 13 A N T 3 S- 0 0 51 127,-0.3 -1,-0.3 129,-0.2 128,-0.1 0.208 119.9-107.5 -90.7 2.2 28.6 -4.6 3.6 14 14 A M < + 0 0 53 -3,-2.4 134,-2.9 1,-0.3 2,-0.2 0.566 67.5 154.7 84.6 12.0 25.5 -3.9 5.7 15 15 A G E +I 147 0B 0 132,-0.2 -4,-1.6 127,-0.2 132,-0.3 -0.520 21.8 171.9 -72.6 143.3 26.9 -0.5 6.8 16 16 A I E + 0 0 20 130,-2.6 2,-0.3 1,-0.3 131,-0.2 0.468 62.1 18.0-124.5 -12.9 24.4 2.2 7.8 17 17 A G E -I 146 0B 8 129,-1.4 128,-2.4 5,-0.2 129,-1.6 -0.996 47.0-168.2-157.9 162.5 26.7 4.9 9.1 18 18 A K B > S-J 21 0C 50 3,-3.4 3,-1.8 -2,-0.3 126,-0.0 -0.896 76.8 -12.7-158.0 123.9 30.2 6.4 9.3 19 19 A D T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.831 129.0 -48.8 55.7 34.5 31.5 9.2 11.6 20 20 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.521 129.1 66.7 87.9 -2.0 28.1 10.2 12.7 21 21 A N B < S-J 18 0C 101 -3,-1.8 -3,-3.4 1,-0.1 -1,-0.3 -0.665 95.1 -64.6-134.8-164.7 26.6 10.5 9.2 22 22 A L - 0 0 86 -5,-0.3 -5,-0.2 -2,-0.2 -1,-0.1 -0.487 40.6-124.8 -83.3 156.2 25.6 8.2 6.3 23 23 A P S S+ 0 0 20 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.698 91.7 55.4 -78.6 -15.2 28.4 6.4 4.5 24 24 A W S S- 0 0 12 1,-0.1 -2,-0.2 118,-0.1 3,-0.1 -0.782 91.0-103.7-115.1 158.3 27.4 7.8 1.0 25 25 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.162 69.5 -51.4 -67.7 173.6 26.9 11.4 -0.2 26 26 A P - 0 0 115 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.196 45.0-167.8 -59.7 133.6 23.4 12.6 -0.5 27 27 A L > - 0 0 11 1,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.944 7.6-166.9-118.4 100.9 20.9 10.6 -2.5 28 28 A R H > S+ 0 0 147 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.922 82.5 44.6 -59.4 -51.7 17.9 13.0 -3.0 29 29 A N H > S+ 0 0 59 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.817 112.3 51.6 -65.6 -39.0 15.3 10.5 -4.2 30 30 A E H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.939 111.6 48.4 -66.3 -42.5 16.2 7.9 -1.6 31 31 A Y H X S+ 0 0 125 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.895 108.8 52.5 -64.4 -47.3 15.9 10.5 1.2 32 32 A K H X S+ 0 0 90 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.785 106.5 55.4 -59.0 -29.5 12.5 11.7 -0.2 33 33 A Y H X S+ 0 0 10 -4,-1.3 4,-2.6 -3,-0.2 -2,-0.2 0.912 107.8 48.0 -66.0 -45.5 11.3 8.1 -0.1 34 34 A F H X S+ 0 0 46 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.911 113.4 48.4 -58.7 -45.3 12.2 7.9 3.6 35 35 A Q H X S+ 0 0 45 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.957 113.5 46.3 -60.2 -47.2 10.4 11.2 4.2 36 36 A R H X S+ 0 0 117 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.899 113.9 47.7 -65.2 -46.5 7.3 10.1 2.3 37 37 A M H < S+ 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.921 118.2 38.4 -62.7 -50.9 7.1 6.7 4.0 38 38 A T H < S+ 0 0 0 -4,-2.3 10,-0.2 -5,-0.2 -2,-0.2 0.792 118.9 48.0 -71.0 -33.7 7.6 8.0 7.6 39 39 A S H < S+ 0 0 33 -4,-2.5 2,-0.8 -5,-0.3 9,-0.3 0.722 88.1 95.1 -79.0 -32.4 5.4 11.1 7.2 40 40 A T < - 0 0 66 -4,-1.7 2,-0.2 -5,-0.2 -1,-0.1 -0.647 50.0-178.0 -77.1 113.3 2.4 9.6 5.4 41 41 A S - 0 0 28 -2,-0.8 4,-0.1 5,-0.2 -2,-0.0 -0.619 24.7-143.7 -97.7 152.5 -0.5 8.6 7.8 42 42 A H S S+ 0 0 140 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.111 79.7 69.2-105.6 25.5 -3.7 7.0 6.5 43 43 A V S > S- 0 0 70 3,-0.2 3,-1.9 0, 0.0 -2,-0.1 -0.977 81.7-122.6-148.0 123.5 -6.0 8.8 8.9 44 44 A E T 3 S+ 0 0 199 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.410 99.9 25.4 -64.7 138.1 -6.9 12.4 9.0 45 45 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.327 105.3 94.7 91.1 -10.5 -6.1 14.0 12.3 46 46 A K < - 0 0 71 -3,-1.9 2,-0.3 63,-0.0 -1,-0.3 -0.788 53.2-161.0-115.0 159.8 -3.3 11.5 13.1 47 47 A Q E -c 109 0A 74 61,-2.4 63,-1.9 -2,-0.3 2,-0.2 -0.914 25.3-109.1-129.5 162.7 0.5 11.7 12.6 48 48 A N E - d 0 70A 0 21,-0.6 23,-2.0 -9,-0.3 2,-0.4 -0.478 27.2-132.2 -89.0 160.5 3.1 8.9 12.6 49 49 A A E -cd 112 71A 0 62,-3.5 64,-3.1 21,-0.2 2,-0.4 -0.900 13.5-158.1-112.5 144.8 5.6 8.5 15.4 50 50 A V E -cd 113 72A 0 21,-2.5 23,-2.5 -2,-0.4 2,-0.5 -0.972 5.5-161.0-117.1 127.8 9.3 8.0 14.7 51 51 A I E +cd 114 73A 0 62,-2.5 64,-2.3 -2,-0.4 65,-0.3 -0.980 20.3 160.7-113.7 140.9 11.5 6.4 17.3 52 52 A M E - d 0 74A 0 21,-2.3 23,-2.0 -2,-0.5 65,-0.3 -0.958 35.8-103.3-151.7 163.3 15.3 6.8 17.2 53 53 A G E > - d 0 75A 11 63,-2.2 4,-2.0 -2,-0.3 23,-0.1 -0.260 41.5-101.3 -82.5 169.3 18.5 6.6 19.3 54 54 A K H > S+ 0 0 59 21,-0.6 4,-2.1 1,-0.2 5,-0.1 0.873 119.6 48.4 -60.9 -45.4 20.5 9.5 20.7 55 55 A K H > S+ 0 0 137 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.833 110.7 52.0 -66.5 -38.7 23.2 9.5 18.0 56 56 A T H >> S+ 0 0 39 2,-0.2 3,-0.7 1,-0.2 4,-0.6 0.929 108.8 51.5 -62.0 -44.5 20.6 9.3 15.2 57 57 A W H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.949 112.1 45.2 -53.3 -56.3 18.8 12.4 16.7 58 58 A F H 3< S+ 0 0 100 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.584 99.9 70.8 -68.0 -10.9 22.0 14.4 16.9 59 59 A S H << S+ 0 0 48 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.646 81.9 87.7 -79.5 -12.8 22.9 13.3 13.3 60 60 A I S << S- 0 0 25 -3,-1.5 5,-0.1 -4,-0.6 -39,-0.0 -0.684 96.7-104.9 -91.3 128.6 20.1 15.5 12.0 61 61 A P > - 0 0 80 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.338 33.3-119.3 -50.6 138.3 21.2 19.1 11.4 62 62 A E G > S+ 0 0 119 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.733 110.0 55.6 -52.4 -39.1 19.7 21.2 14.2 63 63 A K G 3 S+ 0 0 173 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.713 104.6 55.9 -71.2 -20.9 17.6 23.4 12.1 64 64 A N G < S+ 0 0 103 -3,-1.8 -1,-0.3 3,-0.0 4,-0.2 0.083 89.1 141.2 -92.0 7.7 15.9 20.4 10.6 65 65 A R < + 0 0 52 -3,-1.1 2,-0.1 2,-0.1 21,-0.1 -0.922 49.0 35.3-106.9 142.5 14.8 19.0 14.0 66 66 A P S S- 0 0 43 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.572 98.4-109.7 -82.6 159.3 12.3 17.6 14.9 67 67 A L > - 0 0 19 -2,-0.1 3,-1.1 1,-0.1 -2,-0.1 -0.421 50.8-106.7 -53.3 121.3 11.6 15.7 11.7 68 68 A K T 3 S+ 0 0 144 1,-0.2 -1,-0.1 -4,-0.2 3,-0.1 -0.133 91.2 11.4 -57.5 144.0 8.5 17.7 10.5 69 69 A D T 3 S+ 0 0 82 1,-0.1 -21,-0.6 -3,-0.1 2,-0.3 0.571 107.7 86.3 68.1 17.2 5.1 16.2 10.7 70 70 A R E < S-d 48 0A 8 -3,-1.1 2,-0.6 -23,-0.2 -21,-0.2 -0.946 82.9-108.7-139.2 157.9 5.9 13.2 12.9 71 71 A I E -d 49 0A 7 -23,-2.0 -21,-2.5 -2,-0.3 2,-0.6 -0.787 38.3-143.5 -87.0 122.6 6.1 12.8 16.7 72 72 A N E -d 50 0A 0 -2,-0.6 16,-1.9 -23,-0.2 15,-1.6 -0.792 19.5-177.3 -93.4 120.4 9.8 12.4 17.5 73 73 A I E -de 51 88A 0 -23,-2.5 -21,-2.3 -2,-0.6 2,-0.3 -0.964 7.4-162.2-118.4 128.5 10.8 10.1 20.3 74 74 A V E -de 52 89A 0 14,-2.1 16,-1.7 -2,-0.5 2,-0.4 -0.822 10.2-142.3-103.3 144.0 14.5 9.7 21.3 75 75 A L E +de 53 90A 22 -23,-2.0 -21,-0.6 -2,-0.3 2,-0.3 -0.880 32.3 152.8-106.2 134.3 15.7 6.8 23.3 76 76 A S - 0 0 12 14,-1.8 -2,-0.0 -2,-0.4 16,-0.0 -0.872 36.5-165.8-164.0 137.3 18.5 7.4 25.9 77 77 A R S S+ 0 0 225 -2,-0.3 -1,-0.1 1,-0.1 14,-0.1 0.695 97.6 44.7 -92.0 -23.4 19.5 5.7 29.2 78 78 A E S S+ 0 0 160 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.577 91.0 88.3 -96.3 -29.0 21.7 8.8 30.0 79 79 A L - 0 0 57 1,-0.1 -3,-0.1 4,-0.0 3,-0.1 -0.677 52.1-161.7 -82.9 152.7 19.5 11.9 29.3 80 80 A K S S+ 0 0 144 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.610 74.5 21.2 -97.0 -37.4 17.2 13.4 31.8 81 81 A E S S- 0 0 160 7,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.957 96.5 -82.7-135.8 158.5 14.9 15.4 29.6 82 82 A A - 0 0 32 -2,-0.3 3,-0.2 5,-0.1 7,-0.1 -0.409 55.1-105.6 -63.5 134.5 14.1 15.3 25.9 83 83 A P > - 0 0 18 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.157 56.2 -73.0 -58.1 153.8 16.7 17.1 23.8 84 84 A K T 3 S+ 0 0 195 1,-0.3 3,-0.1 -3,-0.1 -19,-0.0 -0.344 122.8 18.8 -55.9 122.8 15.5 20.5 22.5 85 85 A G T 3 S+ 0 0 23 1,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.068 95.1 112.0 99.9 -22.3 13.0 19.9 19.7 86 86 A A < - 0 0 15 -3,-2.3 -1,-0.4 1,-0.1 -13,-0.1 -0.600 59.7-144.0 -80.4 154.4 12.1 16.2 20.4 87 87 A H S S+ 0 0 86 -15,-1.6 2,-0.3 1,-0.2 -14,-0.2 0.847 76.2 10.9 -83.7 -40.1 8.6 15.5 21.6 88 88 A Y E -e 73 0A 84 -16,-1.9 -14,-2.1 -7,-0.1 2,-0.4 -0.953 54.7-150.8-146.5 151.2 9.4 12.6 24.1 89 89 A L E -e 74 0A 24 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.952 20.9-178.2-117.4 134.7 12.3 10.9 25.8 90 90 A S E -e 75 0A 4 -16,-1.7 -14,-1.8 -2,-0.4 3,-0.1 -0.956 26.8-141.6-134.6 154.3 12.0 7.2 26.7 91 91 A K S S+ 0 0 103 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.461 82.9 0.1 -94.5 -11.4 14.5 4.9 28.4 92 92 A S S > S- 0 0 45 1,-0.1 4,-1.4 -16,-0.0 -1,-0.1 -0.917 78.4 -99.4-162.6 169.8 13.9 1.8 26.4 93 93 A L H > S+ 0 0 9 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.860 120.5 60.6 -63.2 -44.4 11.7 0.7 23.5 94 94 A D H > S+ 0 0 85 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.916 107.4 44.9 -47.1 -45.8 9.3 -0.9 25.9 95 95 A D H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.760 111.0 51.8 -69.0 -37.3 8.7 2.5 27.5 96 96 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.877 112.1 49.3 -67.4 -39.1 8.4 4.2 24.1 97 97 A L H X S+ 0 0 10 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.946 110.9 46.8 -63.4 -49.0 5.8 1.5 23.3 98 98 A A H X S+ 0 0 58 -4,-2.6 4,-0.7 1,-0.2 3,-0.4 0.942 110.8 54.2 -57.4 -42.8 3.8 2.0 26.6 99 99 A L H >< S+ 0 0 41 -4,-2.5 3,-1.3 1,-0.2 6,-0.3 0.913 105.4 53.8 -55.3 -46.1 3.9 5.8 26.0 100 100 A L H 3< S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.874 108.2 48.5 -57.3 -43.3 2.4 5.2 22.5 101 101 A D H 3< S+ 0 0 61 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.438 88.3 115.2 -74.1 -12.0 -0.5 3.3 23.9 102 102 A S S S+ 0 0 117 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.915 113.9 50.6 -59.7 -53.8 -4.4 7.8 26.3 104 104 A E H 4 S+ 0 0 55 1,-0.2 -4,-0.1 2,-0.1 -3,-0.1 0.649 121.3 32.5 -59.2 -28.0 -3.1 11.1 25.1 105 105 A L H >> S+ 0 0 3 -6,-0.3 3,-3.4 -3,-0.3 4,-1.7 0.819 103.2 70.5 -96.9 -51.2 -1.0 9.6 22.2 106 106 A K H 3< S+ 0 0 113 -4,-2.2 3,-0.2 1,-0.3 -2,-0.1 0.833 103.0 46.1 -36.5 -50.7 -3.0 6.6 21.1 107 107 A S T 3< S+ 0 0 90 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.609 116.2 47.2 -74.8 -11.8 -5.7 8.8 19.7 108 108 A K T <4 S+ 0 0 70 -3,-3.4 -61,-2.4 -62,-0.1 2,-0.4 0.639 97.9 76.9-103.9 -16.7 -3.0 11.0 18.0 109 109 A V E < + c 0 47A 13 -4,-1.7 -61,-0.2 -63,-0.2 3,-0.1 -0.865 40.8 172.7-110.3 134.6 -0.7 8.4 16.4 110 110 A D E + 0 0 50 -63,-1.9 2,-0.3 -2,-0.4 -1,-0.2 0.818 68.6 15.0 -96.7 -86.0 -1.2 6.4 13.2 111 111 A M E - 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