==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-OCT-06 2ITH . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOFERAX VOLCANII; . AUTHOR B.BINBUGA . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 11.7 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 141 0, 0.0 2,-0.1 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0-124.7 15.0 5.9 2.0 2 2 A E - 0 0 108 95,-0.1 95,-1.5 1,-0.0 2,-0.3 -0.325 360.0 -45.0-133.4-137.6 11.9 5.7 -0.4 3 3 A L E -a 97 0A 2 109,-0.4 111,-2.0 93,-0.2 112,-0.6 -0.763 33.5-156.8-116.8 148.6 8.4 4.1 -0.2 4 4 A V E -ab 98 115A 3 93,-1.9 95,-1.3 -2,-0.3 2,-0.2 -0.952 18.8-131.5-126.7 124.4 6.9 0.7 0.9 5 5 A S E -ab 99 116A 0 110,-1.8 112,-0.9 -2,-0.4 2,-0.3 -0.570 18.6-170.8 -83.9 136.9 3.4 -0.8 -0.2 6 6 A V E + b 0 117A 10 93,-4.0 2,-0.3 -2,-0.2 112,-0.2 -0.783 20.4 150.2-133.8 80.9 0.9 -2.1 2.5 7 7 A A E - b 0 118A 2 110,-1.2 112,-1.7 -2,-0.3 2,-0.4 -0.854 33.2-141.9-113.3 156.2 -2.3 -4.1 1.1 8 8 A A E + b 0 119A 3 -2,-0.3 2,-0.3 110,-0.2 112,-0.2 -0.959 32.2 158.8-120.0 130.9 -4.4 -7.0 2.7 9 9 A L E - b 0 120A 2 110,-2.7 112,-1.9 -2,-0.4 6,-0.2 -0.984 23.4-170.4-158.9 158.7 -5.8 -9.9 0.6 10 10 A A > + 0 0 24 4,-0.9 3,-1.4 1,-0.4 113,-0.1 0.219 59.6 7.4-122.6-130.6 -7.2 -13.6 0.3 11 11 A E G > S+ 0 0 119 1,-0.2 3,-1.1 2,-0.2 -1,-0.4 -0.283 131.8 12.9 -64.4 147.8 -8.0 -16.2 -2.6 12 12 A N G 3 S- 0 0 84 1,-0.2 119,-0.3 -3,-0.1 -1,-0.2 0.617 126.5 -82.5 55.6 17.1 -7.0 -15.1 -6.2 13 13 A R G < S- 0 0 92 -3,-1.4 118,-2.3 1,-0.2 2,-0.7 0.939 70.9-176.4 43.5 58.0 -4.9 -12.3 -4.3 14 14 A V B < -H 130 0B 0 -3,-1.1 -4,-0.9 116,-0.2 116,-0.2 -0.714 22.1-167.9 -86.6 110.8 -8.1 -10.1 -4.0 15 15 A I - 0 0 2 114,-1.1 2,-0.3 -2,-0.7 -1,-0.2 0.996 61.7 -64.0 -53.9 -66.5 -7.3 -6.6 -2.3 16 16 A G - 0 0 0 5,-0.2 113,-2.3 3,-0.2 112,-0.2 -0.906 26.3-115.1-164.4-162.2 -11.1 -5.9 -1.9 17 17 A R S S+ 0 0 107 -2,-0.3 -1,-0.1 111,-0.2 -2,-0.0 0.758 104.2 22.6-110.0 -61.2 -14.7 -5.3 -3.2 18 18 A D S S- 0 0 156 3,-0.1 32,-0.1 111,-0.0 -2,-0.1 0.970 130.8 -42.2 -75.8 -58.0 -15.8 -1.7 -2.1 19 19 A G S S- 0 0 4 2,-0.2 29,-0.3 31,-0.1 -3,-0.2 0.236 115.9 -12.5-137.6-101.1 -12.4 0.2 -1.6 20 20 A E S S- 0 0 31 28,-0.3 -12,-0.2 27,-0.2 28,-0.1 0.932 126.3 -0.3 -68.9 -54.0 -9.2 -1.2 0.2 21 21 A L - 0 0 27 -5,-0.2 -5,-0.2 2,-0.1 -1,-0.2 -0.997 52.9-135.5-150.9 137.0 -10.7 -4.4 1.8 22 22 A P S S+ 0 0 37 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.680 90.6 70.5 -78.2 -18.9 -14.2 -6.3 2.2 23 23 A W S S- 0 0 37 1,-0.1 -2,-0.1 3,-0.0 3,-0.0 -0.688 95.3-116.9 -77.3 153.9 -13.9 -7.0 6.0 24 24 A P - 0 0 133 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.916 65.3 -74.4 -63.9 -48.8 -14.4 -3.7 8.1 25 25 A S - 0 0 32 -3,-0.0 -4,-0.0 4,-0.0 0, 0.0 -0.005 39.6-135.6 154.6 112.2 -10.8 -3.7 9.7 26 26 A I >> - 0 0 46 122,-0.1 4,-1.8 1,-0.1 3,-0.6 -0.400 32.7-108.6 -61.9 150.9 -9.5 -6.0 12.5 27 27 A P H 3> S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.868 120.7 54.8 -53.5 -38.3 -7.3 -4.3 15.4 28 28 A A H 3> S+ 0 0 9 120,-0.2 4,-2.0 2,-0.2 5,-0.3 0.836 109.0 48.8 -60.3 -35.2 -4.0 -5.9 14.1 29 29 A D H <> S+ 0 0 13 -3,-0.6 4,-2.4 119,-0.3 5,-0.3 0.995 117.0 39.5 -61.2 -65.0 -4.8 -4.3 10.5 30 30 A K H X S+ 0 0 61 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.711 120.9 46.3 -64.7 -21.3 -5.5 -0.8 11.9 31 31 A K H X S+ 0 0 136 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.843 115.9 43.1 -81.7 -42.4 -2.5 -1.1 14.5 32 32 A Q H X S+ 0 0 16 -4,-2.0 4,-1.8 -5,-0.2 5,-0.2 0.988 116.8 48.3 -65.3 -55.6 0.1 -2.5 12.0 33 33 A Y H X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.825 115.1 46.7 -42.8 -40.4 -1.1 0.1 9.4 34 34 A R H X S+ 0 0 131 -4,-0.6 4,-0.9 -5,-0.3 5,-0.4 0.860 114.2 43.9 -83.1 -33.5 -0.8 2.9 12.2 35 35 A S H < S+ 0 0 93 -4,-2.3 -2,-0.2 -3,-0.1 -1,-0.2 0.628 126.6 37.2 -75.4 -11.7 2.8 1.9 13.5 36 36 A R H < S+ 0 0 54 -4,-1.8 4,-0.5 -5,-0.2 3,-0.2 0.838 136.1 12.9 -87.2 -69.0 3.8 1.5 9.8 37 37 A V H < S+ 0 0 0 -4,-2.5 22,-0.3 -5,-0.2 -3,-0.2 0.454 99.9 85.7-100.2 -6.8 1.9 4.5 8.0 38 38 A A S < S+ 0 0 26 -4,-0.9 -1,-0.1 -5,-0.3 -3,-0.1 0.858 105.2 31.4 -71.5 -34.0 0.5 7.0 10.7 39 39 A D S S+ 0 0 150 -5,-0.4 20,-0.3 -3,-0.2 -1,-0.2 0.832 118.6 68.6 -73.7 -39.9 3.7 9.1 11.0 40 40 A D S S- 0 0 31 -4,-0.5 20,-0.2 18,-0.1 57,-0.2 -0.497 88.1-106.9 -89.6 146.6 4.7 8.4 7.2 41 41 A P - 0 0 0 0, 0.0 57,-3.1 0, 0.0 2,-0.4 -0.433 32.7-140.8 -69.4 142.0 2.9 9.7 3.8 42 42 A V E -cd 61 98A 0 18,-2.5 20,-3.1 55,-0.2 2,-0.5 -0.856 6.7-153.0-113.7 134.2 0.8 7.1 1.8 43 43 A V E +c 62 0A 0 55,-2.7 2,-0.2 -2,-0.4 20,-0.2 -0.846 36.5 153.1-104.2 120.0 0.6 6.8 -2.2 44 44 A L E -c 63 0A 0 18,-3.4 20,-1.6 -2,-0.5 2,-0.1 -0.758 35.4-109.4-147.9 175.2 -2.8 5.2 -3.3 45 45 A G > - 0 0 8 -2,-0.2 4,-1.1 18,-0.2 20,-0.1 -0.264 37.9-100.4 -97.7-171.0 -5.6 4.8 -6.0 46 46 A R H > S+ 0 0 79 18,-0.2 4,-2.2 3,-0.2 5,-0.2 0.829 122.1 57.3 -80.7 -29.0 -9.2 5.9 -6.5 47 47 A T H > S+ 0 0 49 2,-0.2 4,-1.1 1,-0.2 -27,-0.2 0.994 118.5 31.4 -50.1 -68.1 -10.4 2.4 -5.3 48 48 A T H > S+ 0 0 2 -29,-0.3 4,-2.4 1,-0.2 -28,-0.3 0.816 122.4 50.4 -58.6 -38.4 -8.5 2.8 -1.9 49 49 A F H X S+ 0 0 1 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.853 98.7 62.1 -76.1 -37.9 -9.0 6.7 -1.7 50 50 A E H < S+ 0 0 118 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 114.3 40.6 -56.3 -32.1 -12.9 6.8 -2.4 51 51 A S H >< S+ 0 0 46 -4,-1.1 3,-2.7 -5,-0.2 4,-0.3 0.985 110.5 55.8 -59.0 -70.8 -12.8 4.8 0.9 52 52 A M H 3< S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.547 81.8 84.8 -60.7 -8.3 -10.1 6.9 2.7 53 53 A R T 3< S+ 0 0 129 -4,-1.9 -1,-0.3 3,-0.1 3,-0.1 0.769 103.3 36.6 -43.9 -32.5 -12.1 10.2 2.2 54 54 A D S < S+ 0 0 155 -3,-2.7 2,-0.7 1,-0.2 -2,-0.2 0.877 128.5 30.5 -81.3 -77.4 -13.7 8.8 5.5 55 55 A D S S- 0 0 96 -4,-0.3 -1,-0.2 1,-0.0 -4,-0.0 -0.714 80.1-152.7 -88.5 113.4 -10.5 7.2 7.4 56 56 A L - 0 0 61 -2,-0.7 -3,-0.1 -3,-0.1 5,-0.1 -0.532 1.8-147.3 -82.5 148.5 -7.2 9.1 6.6 57 57 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.987 50.9 -40.6 -80.2 -80.2 -3.7 7.2 6.7 58 58 A G S S- 0 0 15 2,-0.6 -20,-0.2 17,-0.1 -19,-0.2 -0.265 91.5 -36.4-127.8-148.2 -0.6 9.4 7.9 59 59 A S S S+ 0 0 68 -20,-0.3 2,-0.3 -22,-0.3 -19,-0.1 0.734 125.2 14.3 -65.1 -19.8 1.1 12.8 7.5 60 60 A A - 0 0 0 -20,-0.2 -18,-2.5 2,-0.0 -2,-0.6 -0.991 60.1-147.6-146.8 170.5 -0.1 12.9 3.8 61 61 A Q E -ce 42 76A 2 14,-0.6 16,-2.4 -2,-0.3 2,-0.4 -0.876 22.8-171.4-134.5 95.3 -2.5 11.1 1.3 62 62 A I E -ce 43 77A 0 -20,-3.1 -18,-3.4 -2,-0.4 2,-0.6 -0.752 10.1-152.9 -94.1 132.4 -1.2 10.9 -2.4 63 63 A V E -ce 44 78A 0 14,-1.4 2,-1.3 -2,-0.4 16,-0.7 -0.893 7.1-149.5-107.6 114.3 -3.3 9.7 -5.4 64 64 A M E + e 0 79A 21 -20,-1.6 2,-0.2 -2,-0.6 -18,-0.2 -0.600 63.6 91.4 -70.8 89.9 -1.4 8.2 -8.4 65 65 A S S S- 0 0 50 14,-1.9 -2,-0.0 -2,-1.3 -20,-0.0 -0.868 85.6-100.3-153.8-169.6 -3.9 9.2 -11.2 66 66 A R + 0 0 204 -2,-0.2 2,-0.1 3,-0.0 14,-0.1 -0.246 69.1 132.9-119.8 54.0 -4.4 12.2 -13.7 67 67 A S S S- 0 0 39 -4,-0.2 -2,-0.1 1,-0.1 -4,-0.0 -0.378 71.8 -98.7 -84.7 174.4 -7.3 14.0 -11.7 68 68 A E - 0 0 178 1,-0.2 10,-0.1 -2,-0.1 2,-0.1 0.440 58.0-119.9 -72.7 2.8 -7.4 17.9 -11.0 69 69 A R S S+ 0 0 153 8,-0.1 -1,-0.2 1,-0.1 8,-0.1 -0.233 73.2 97.3 71.0-177.9 -6.0 17.6 -7.3 70 70 A S + 0 0 110 6,-0.2 7,-0.1 4,-0.1 -2,-0.1 0.928 38.5 160.4 65.6 102.6 -8.0 18.9 -4.2 71 71 A F - 0 0 34 5,-0.5 3,-0.1 2,-0.3 6,-0.1 0.835 53.9 -63.8-121.9 -73.4 -10.0 16.0 -2.4 72 72 A S S S+ 0 0 67 1,-0.6 2,-0.2 4,-0.1 -19,-0.1 0.219 102.8 50.2-154.4 -65.9 -11.3 16.3 1.4 73 73 A V S > S- 0 0 46 1,-0.1 3,-0.6 2,-0.1 -1,-0.6 -0.556 76.8-122.0 -78.3 153.4 -8.6 16.7 4.2 74 74 A D T 3 S+ 0 0 155 1,-0.3 2,-0.9 -2,-0.2 -1,-0.1 0.882 113.6 63.3 -61.1 -37.1 -5.7 19.3 4.1 75 75 A T T 3 S+ 0 0 54 -15,-0.1 -14,-0.6 -17,-0.1 2,-0.4 -0.133 88.4 98.3 -72.3 42.8 -3.1 16.3 4.4 76 76 A A E < +e 61 0A 8 -2,-0.9 -5,-0.5 -3,-0.6 -6,-0.2 -0.963 44.3 149.7-145.0 126.4 -4.5 15.0 0.9 77 77 A H E -e 62 0A 79 -16,-2.4 -14,-1.4 -2,-0.4 2,-0.4 -0.760 36.1-107.3-151.1 170.2 -2.8 15.7 -2.5 78 78 A R E -e 63 0A 47 -16,-0.2 2,-0.4 -2,-0.2 -14,-0.2 -0.940 15.1-158.3-130.2 125.1 -2.3 14.2 -6.1 79 79 A A E -e 64 0A 0 -16,-0.7 -14,-1.9 -2,-0.4 6,-0.1 -0.745 7.0-166.9 -90.3 135.0 0.7 12.5 -7.9 80 80 A A S S- 0 0 23 -2,-0.4 2,-0.2 -16,-0.2 -1,-0.1 0.781 77.1 -2.8 -81.5 -30.9 1.0 12.3 -11.7 81 81 A S S > S- 0 0 31 1,-0.1 4,-1.0 -17,-0.0 -16,-0.1 -0.647 82.7 -90.2-137.4-171.1 4.0 9.7 -11.7 82 82 A V H > S+ 0 0 20 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.923 129.9 52.2 -69.8 -51.2 6.3 7.8 -9.2 83 83 A E H > S+ 0 0 159 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 112.0 45.4 -44.7 -50.1 8.8 10.8 -9.5 84 84 A E H > S+ 0 0 98 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.806 113.1 51.2 -64.7 -31.7 5.7 13.2 -8.6 85 85 A A H X S+ 0 0 0 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.924 115.4 40.5 -66.5 -46.2 4.7 10.8 -5.7 86 86 A V H X S+ 0 0 53 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.956 115.7 51.1 -62.9 -52.5 8.3 10.8 -4.2 87 87 A D H X S+ 0 0 115 -4,-2.7 4,-1.5 -5,-0.2 -3,-0.2 0.893 112.8 46.0 -56.0 -41.6 8.8 14.6 -4.8 88 88 A I H X S+ 0 0 46 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.924 113.9 48.1 -67.5 -41.9 5.4 15.5 -3.1 89 89 A A H >X S+ 0 0 5 -4,-1.9 4,-1.2 1,-0.2 3,-0.5 0.948 115.6 44.1 -58.0 -50.1 6.1 13.1 -0.0 90 90 A A H 3< S+ 0 0 68 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.750 108.6 60.5 -63.8 -26.5 9.7 14.6 0.4 91 91 A S H 3< S+ 0 0 103 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.762 106.5 45.2 -67.2 -31.3 8.3 18.2 -0.1 92 92 A L H << S- 0 0 54 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.1 0.982 129.7 -74.4 -76.8 -66.7 5.9 18.0 3.1 93 93 A D S < S+ 0 0 153 -4,-1.2 2,-0.3 1,-0.0 -3,-0.1 -0.073 78.3 124.3 170.5 89.6 8.4 16.4 5.7 94 94 A A - 0 0 38 -4,-0.3 3,-0.1 1,-0.1 -54,-0.0 -0.936 41.6-165.9-157.9 139.9 9.4 12.6 5.4 95 95 A E S S+ 0 0 177 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.889 91.8 20.2 -79.7 -51.9 12.4 10.1 5.2 96 96 A T - 0 0 29 -7,-0.1 2,-0.3 -95,-0.0 -93,-0.2 -0.838 68.9-165.6-106.6 156.0 10.2 7.0 4.2 97 97 A A E -a 3 0A 5 -95,-1.5 -93,-1.9 -2,-0.3 -55,-0.2 -0.837 8.0-145.7-123.5 177.0 6.7 6.9 2.7 98 98 A Y E -ad 4 42A 30 -57,-3.1 -55,-2.7 -95,-0.3 2,-0.3 -0.685 2.4-143.7-127.9-175.5 4.1 4.0 2.3 99 99 A V E -a 5 0A 0 -95,-1.3 -93,-4.0 -57,-0.3 -55,-0.2 -0.867 8.4-167.4-148.3 119.2 1.3 2.8 -0.3 100 100 A I - 0 0 11 -2,-0.3 -56,-0.1 -95,-0.2 -1,-0.1 0.974 55.7-178.3 -65.6 -65.7 -2.2 1.1 0.6 101 101 A G + 0 0 0 -96,-0.1 2,-0.2 -58,-0.1 -57,-0.1 -0.072 24.5 61.9 73.4-176.0 -2.6 0.2 -3.1 102 102 A G > + 0 0 3 -95,-0.1 5,-0.8 -87,-0.1 4,-0.1 -0.705 38.5 100.8-148.7 134.6 -4.0 -0.9 -5.8 103 103 A A T 5S+ 0 0 57 -2,-0.2 27,-0.0 1,-0.2 -1,-0.0 0.876 135.9 3.9 -36.2 -56.2 -5.9 -1.9 -8.9 104 104 A A T >5S+ 0 0 60 -40,-0.1 4,-1.4 3,-0.1 5,-0.2 0.611 128.9 68.6-100.5 -21.7 -3.3 0.3 -10.7 105 105 A I H >>5S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 3,-0.8 0.990 103.8 35.0 -75.7 -66.4 -0.9 1.2 -7.7 106 106 A Y H 3>5S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 119.4 55.6 -48.2 -40.6 0.9 -2.0 -6.6 107 107 A A H 34X S+ 0 0 0 -4,-3.3 3,-1.8 -5,-0.2 4,-0.9 0.750 79.0 100.7 -72.7 -29.3 4.9 0.6 -8.2 110 110 A Q G >< S+ 0 0 50 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.745 90.8 36.7 -27.4 -56.1 6.3 -3.1 -8.0 111 111 A P G 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.741 118.3 52.9 -69.2 -23.9 9.8 -2.1 -9.5 112 112 A H G <4 S+ 0 0 97 -3,-1.8 -109,-0.4 -4,-0.3 2,-0.2 0.453 85.0 107.2 -93.6 -5.1 10.0 1.3 -7.7 113 113 A L << - 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