==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 11-JUN-12 4FIZ . COMPND 2 MOLECULE: 17BETA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COCHLIOBOLUS LUNATUS; . AUTHOR A.CASSETTA,D.LAMBA,I.KRASTANOVA . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 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 . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 0 0 0 0 0 3 1 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 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 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 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 11 A Y 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.2 32.1 -19.3 3.2 2 12 A I > - 0 0 92 5,-0.0 3,-1.5 0, 0.0 5,-0.2 -0.952 360.0-119.6-114.9 116.1 28.8 -20.6 1.8 3 13 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 239,-0.0 -0.187 96.5 17.7 -48.6 138.9 26.2 -18.1 0.5 4 14 A G T 3 S+ 0 0 27 1,-0.3 237,-0.1 235,-0.1 2,-0.1 0.071 103.5 109.5 89.1 -24.6 22.8 -18.2 2.3 5 15 A R < - 0 0 74 -3,-1.5 238,-0.4 1,-0.1 -1,-0.3 -0.268 62.5-145.7 -83.8 168.2 24.3 -20.0 5.3 6 16 A L > + 0 0 4 25,-3.1 3,-2.2 22,-0.2 28,-0.2 -0.134 35.3 160.2-128.3 29.9 24.9 -18.5 8.7 7 17 A D T 3 S+ 0 0 75 24,-0.3 26,-0.2 1,-0.3 3,-0.1 -0.338 71.9 16.3 -62.7 135.7 28.1 -20.3 9.7 8 18 A G T 3 S+ 0 0 61 24,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.405 104.0 119.5 81.4 -1.5 29.9 -18.5 12.5 9 19 A K < - 0 0 66 -3,-2.2 25,-2.3 23,-0.2 2,-0.4 -0.560 54.6-143.4 -96.9 161.0 26.8 -16.5 13.3 10 20 A V E -a 34 0A 2 23,-0.2 78,-2.7 -2,-0.2 79,-1.9 -0.993 20.1-173.7-123.8 127.3 24.8 -16.2 16.5 11 21 A A E -ab 35 89A 0 23,-2.9 25,-2.9 -2,-0.4 2,-0.4 -0.923 14.6-154.5-123.6 144.9 21.0 -15.8 16.4 12 22 A L E -ab 36 90A 0 77,-2.2 79,-3.0 -2,-0.3 2,-0.4 -0.982 13.4-170.9-118.4 131.6 18.3 -15.2 19.0 13 23 A V E -ab 37 91A 0 23,-2.5 25,-2.5 -2,-0.4 3,-0.5 -0.984 6.5-155.5-128.8 117.8 14.8 -16.3 18.3 14 24 A T S S+ 0 0 0 77,-2.9 79,-0.3 -2,-0.4 25,-0.2 -0.526 77.3 31.1 -88.1 161.6 11.7 -15.4 20.5 15 25 A G S > S+ 0 0 26 -2,-0.2 3,-0.6 77,-0.1 6,-0.4 0.800 77.0 143.8 62.4 31.7 8.5 -17.5 20.7 16 26 A S T 3 + 0 0 0 22,-2.7 23,-0.2 -3,-0.5 10,-0.1 0.426 42.4 83.8 -82.6 -5.3 10.6 -20.6 20.0 17 27 A G T 3 S+ 0 0 19 21,-0.2 2,-0.2 32,-0.0 -1,-0.2 0.887 101.5 6.1 -64.8 -36.7 8.7 -23.1 22.2 18 28 A R S <> S- 0 0 127 -3,-0.6 4,-1.9 31,-0.0 3,-0.4 -0.776 103.5 -10.5-140.5 165.8 6.1 -23.8 19.6 19 29 A G H > S+ 0 0 25 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.072 117.3 3.0 51.5-128.7 4.8 -23.4 16.1 20 30 A I H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 131.4 53.1 -63.2 -48.5 6.4 -20.9 13.8 21 31 A G H > S+ 0 0 2 -6,-0.4 4,-2.6 -3,-0.4 -5,-0.3 0.866 107.3 51.7 -55.7 -43.4 9.1 -19.8 16.2 22 32 A A H X S+ 0 0 17 -4,-1.9 4,-2.3 -7,-0.4 -1,-0.2 0.902 110.3 48.4 -59.7 -44.8 10.3 -23.3 16.8 23 33 A A H X S+ 0 0 18 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.882 112.0 50.7 -66.2 -36.1 10.7 -24.0 13.1 24 34 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 110.0 48.6 -64.9 -47.4 12.6 -20.7 12.7 25 35 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.929 114.3 45.6 -57.7 -49.8 15.0 -21.5 15.6 26 36 A V H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 112.7 51.7 -62.2 -39.6 15.7 -25.0 14.1 27 37 A H H X S+ 0 0 22 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 106.8 50.8 -67.0 -42.1 16.1 -23.6 10.6 28 38 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -1,-0.2 0.897 112.0 49.7 -66.0 -34.4 18.6 -20.9 11.6 29 39 A G H ><5S+ 0 0 1 -4,-1.8 3,-1.5 -5,-0.2 -2,-0.2 0.888 107.1 53.1 -64.4 -42.5 20.5 -23.8 13.3 30 40 A R H 3<5S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.832 105.2 57.0 -61.0 -32.6 20.3 -25.9 10.2 31 41 A L T 3<5S- 0 0 28 -4,-1.9 -25,-3.1 -5,-0.2 -24,-0.3 0.513 129.8 -97.1 -77.0 -7.7 21.8 -22.9 8.3 32 42 A G T < 5S+ 0 0 11 -3,-1.5 -24,-0.7 1,-0.3 -23,-0.2 0.414 79.1 131.8 109.0 1.3 24.8 -23.0 10.7 33 43 A A < - 0 0 0 -5,-2.4 -1,-0.3 -26,-0.2 2,-0.3 -0.559 58.0-122.7 -81.0 149.0 24.0 -20.4 13.3 34 44 A K E -a 10 0A 91 -25,-2.3 -23,-2.9 -2,-0.2 2,-0.5 -0.733 39.7-141.6 -78.3 142.0 24.3 -21.0 17.1 35 45 A V E -ac 11 60A 0 24,-2.3 26,-2.1 -2,-0.3 2,-0.7 -0.933 23.6-155.2-125.3 126.9 20.8 -20.3 18.5 36 46 A V E -ac 12 61A 0 -25,-2.9 -23,-2.5 -2,-0.5 2,-1.1 -0.892 24.0-152.2 -88.1 113.5 19.4 -18.7 21.7 37 47 A V E -ac 13 62A 0 24,-3.0 26,-1.9 -2,-0.7 2,-0.4 -0.802 16.3-171.6 -90.4 96.4 16.0 -20.4 21.9 38 48 A N E + c 0 63A 0 -25,-2.5 -22,-2.7 -2,-1.1 2,-0.3 -0.771 11.9 164.8 -93.2 143.3 14.0 -17.8 23.7 39 49 A Y E - c 0 64A 14 24,-0.7 26,-2.1 -2,-0.4 4,-0.0 -0.953 36.5-140.0-155.0 165.0 10.5 -18.9 24.9 40 50 A A S S+ 0 0 75 -2,-0.3 3,-0.1 24,-0.2 -1,-0.1 0.664 82.1 3.7-106.3 -26.9 7.7 -17.8 27.2 41 51 A N S S+ 0 0 131 1,-0.2 2,-0.6 2,-0.0 -2,-0.1 0.593 103.0 54.0-130.2 -82.4 6.3 -21.0 28.8 42 52 A S > - 0 0 38 1,-0.2 4,-2.0 2,-0.1 -1,-0.2 -0.543 42.5-173.4 -86.1 115.3 7.4 -24.6 28.6 43 53 A T H > S+ 0 0 64 -2,-0.6 4,-2.5 2,-0.2 5,-0.2 0.903 88.2 56.3 -68.2 -41.3 11.1 -25.2 29.4 44 54 A K H > S+ 0 0 156 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 108.7 47.3 -54.1 -46.0 10.8 -28.9 28.4 45 55 A D H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 111.6 50.6 -62.6 -45.2 9.5 -27.9 24.9 46 56 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.877 108.5 51.1 -61.8 -39.3 12.3 -25.3 24.6 47 57 A E H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.805 104.5 59.4 -68.7 -29.9 15.0 -27.9 25.5 48 58 A K H X S+ 0 0 108 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.917 107.3 45.6 -56.9 -47.3 13.4 -30.1 22.9 49 59 A V H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.926 110.7 52.6 -66.4 -45.4 14.2 -27.4 20.3 50 60 A V H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.913 108.6 52.3 -50.8 -45.4 17.7 -27.0 21.7 51 61 A S H X S+ 0 0 73 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.842 107.1 50.7 -65.3 -38.0 18.2 -30.7 21.3 52 62 A E H X S+ 0 0 101 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.908 110.2 50.3 -62.2 -44.3 17.1 -30.7 17.6 53 63 A I H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.4 0.929 112.2 46.8 -63.3 -45.0 19.5 -27.9 16.9 54 64 A K H ><5S+ 0 0 112 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.885 107.8 56.6 -63.2 -39.7 22.4 -29.7 18.6 55 65 A A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 103.5 55.2 -61.5 -30.0 21.4 -32.9 16.7 56 66 A L T 3<5S- 0 0 82 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.558 128.0-100.4 -75.6 -13.3 21.9 -30.9 13.5 57 67 A G T < 5S+ 0 0 68 -3,-1.5 2,-0.3 1,-0.4 -3,-0.2 0.472 87.5 107.3 106.4 5.5 25.4 -30.0 14.5 58 68 A S < - 0 0 22 -5,-2.0 -1,-0.4 -25,-0.0 2,-0.2 -0.787 67.0-113.4-112.6 160.1 24.9 -26.5 15.9 59 69 A D + 0 0 66 -2,-0.3 -24,-2.3 -3,-0.1 2,-0.3 -0.603 36.9 171.6 -91.4 150.7 25.0 -25.2 19.5 60 70 A A E -c 35 0A 3 -26,-0.2 2,-0.3 -2,-0.2 -24,-0.2 -0.986 16.9-163.8-153.0 158.5 21.9 -23.8 21.2 61 71 A I E -c 36 0A 49 -26,-2.1 -24,-3.0 -2,-0.3 2,-0.6 -0.990 19.9-131.2-146.4 139.5 20.7 -22.7 24.6 62 72 A A E +c 37 0A 16 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.824 26.0 176.8 -92.0 122.9 17.2 -22.0 26.0 63 73 A I E -c 38 0A 15 -26,-1.9 -24,-0.7 -2,-0.6 2,-0.1 -0.974 19.4-143.5-127.7 115.3 16.8 -18.7 27.8 64 74 A K E +c 39 0A 110 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.443 24.4 168.1 -73.9 147.3 13.3 -17.9 29.0 65 75 A A - 0 0 2 -26,-2.1 2,-1.0 -2,-0.1 3,-0.1 -0.932 37.9-135.0-157.0 141.7 11.8 -14.4 29.0 66 76 A D > - 0 0 56 -2,-0.3 3,-2.1 1,-0.1 6,-0.3 -0.854 22.9-161.9 -87.4 102.9 8.5 -12.7 29.5 67 77 A I T 3 S+ 0 0 7 -2,-1.0 -1,-0.1 1,-0.3 56,-0.1 0.645 84.5 70.4 -70.7 -12.1 8.7 -10.3 26.5 68 78 A R T 3 S+ 0 0 76 1,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.739 90.6 70.5 -66.4 -23.6 5.9 -8.2 28.1 69 79 A Q S X> S- 0 0 91 -3,-2.1 3,-1.3 1,-0.2 4,-1.3 -0.843 70.4-161.1-102.5 105.7 8.5 -7.1 30.7 70 80 A V H 3> S+ 0 0 21 -2,-0.8 4,-2.3 1,-0.3 3,-0.3 0.870 90.1 61.1 -55.9 -37.0 11.2 -4.9 29.1 71 81 A P H 3> S+ 0 0 89 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.879 104.4 49.8 -58.5 -31.7 13.6 -5.6 32.0 72 82 A E H <> S+ 0 0 69 -3,-1.3 4,-2.5 -6,-0.3 -2,-0.2 0.815 106.4 55.1 -75.6 -28.2 13.5 -9.3 31.0 73 83 A I H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.3 5,-0.2 0.937 108.1 50.1 -66.4 -45.8 14.2 -8.4 27.3 74 84 A V H X S+ 0 0 39 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.951 113.4 44.6 -54.3 -51.7 17.3 -6.5 28.5 75 85 A K H X S+ 0 0 128 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.895 109.5 56.2 -65.7 -39.2 18.5 -9.5 30.6 76 86 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 112.6 41.3 -53.0 -50.7 17.8 -12.0 27.8 77 87 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.874 113.5 52.6 -68.7 -39.4 20.0 -10.0 25.3 78 88 A D H X S+ 0 0 82 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.932 113.3 45.2 -58.1 -45.8 22.7 -9.4 27.9 79 89 A Q H X S+ 0 0 96 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.830 108.6 56.2 -70.2 -35.4 22.8 -13.2 28.7 80 90 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.958 112.4 42.1 -58.4 -50.7 22.7 -14.1 25.0 81 91 A V H X S+ 0 0 42 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.901 113.5 52.1 -64.2 -44.9 25.9 -12.0 24.4 82 92 A A H < S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.847 113.8 44.9 -61.9 -33.5 27.6 -13.2 27.6 83 93 A H H < S+ 0 0 95 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.945 127.5 23.7 -77.3 -49.3 27.0 -16.9 26.6 84 94 A F H < S- 0 0 24 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.562 101.0-119.5 -97.3 -9.6 28.0 -16.9 23.0 85 95 A G S < S+ 0 0 57 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.1 -0.044 84.6 14.4 96.8 -31.9 30.3 -13.8 23.0 86 96 A H - 0 0 66 -6,-0.2 2,-0.4 47,-0.0 -2,-0.1 -0.973 64.5-133.6-163.1 169.7 28.3 -11.9 20.4 87 97 A L + 0 0 0 44,-0.5 46,-2.3 -2,-0.3 -76,-0.2 -0.995 20.7 168.0-139.4 130.5 24.9 -11.7 18.7 88 98 A D + 0 0 14 -78,-2.7 49,-2.1 -2,-0.4 2,-0.4 0.711 66.0 37.0-108.4 -34.0 24.3 -11.2 15.0 89 99 A I E -bd 11 137A 3 -79,-1.9 -77,-2.2 47,-0.2 2,-0.4 -0.971 52.8-174.0-133.1 137.8 20.6 -11.9 14.4 90 100 A A E -bd 12 138A 1 47,-2.3 49,-2.2 -2,-0.4 2,-0.5 -0.981 6.9-178.5-134.9 120.7 17.4 -11.4 16.4 91 101 A V E -bd 13 139A 0 -79,-3.0 -77,-2.9 -2,-0.4 2,-0.6 -0.986 11.1-156.1-120.9 123.3 14.0 -12.7 15.2 92 102 A S + 0 0 0 47,-2.9 -77,-0.1 -2,-0.5 -79,-0.1 -0.874 25.3 162.6 -97.8 121.8 10.8 -12.1 17.1 93 103 A N + 0 0 26 -2,-0.6 2,-0.3 -79,-0.3 -72,-0.2 -0.063 37.2 137.5-112.2 26.3 7.9 -14.5 16.8 94 104 A S + 0 0 9 22,-0.1 2,-0.2 -73,-0.1 47,-0.2 -0.557 25.8 103.5 -81.2 132.9 6.3 -13.2 19.9 95 105 A G - 0 0 37 -2,-0.3 2,-0.3 25,-0.0 19,-0.1 -0.852 47.5-135.1 170.0 162.0 2.6 -12.6 19.9 96 106 A V - 0 0 37 -2,-0.2 2,-0.2 17,-0.2 21,-0.1 -0.981 23.2-129.5-131.2 147.4 -0.9 -13.6 20.9 97 107 A V - 0 0 32 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.523 24.9-174.6 -91.7 159.2 -4.1 -13.6 18.8 98 108 A S - 0 0 7 -2,-0.2 2,-0.4 56,-0.1 59,-0.3 -0.984 7.0-167.9-155.7 144.9 -7.4 -12.0 19.8 99 109 A F + 0 0 47 -2,-0.3 55,-0.2 57,-0.1 2,-0.2 -0.996 26.5 111.2-136.7 145.4 -10.9 -11.8 18.5 100 110 A G - 0 0 24 53,-3.0 55,-0.5 -2,-0.4 56,-0.3 -0.672 61.0 -87.1 162.3 149.0 -14.0 -9.7 19.3 101 111 A H >> - 0 0 79 -2,-0.2 3,-2.1 1,-0.1 4,-0.6 -0.434 45.6-113.7 -61.2 139.2 -16.3 -7.1 17.9 102 112 A L G >4 S+ 0 0 129 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.845 114.3 63.3 -36.0 -50.5 -15.1 -3.5 18.7 103 113 A K G 34 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.676 108.4 40.7 -55.3 -23.9 -18.1 -2.9 21.0 104 114 A D G <4 S+ 0 0 102 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.381 81.8 118.8-109.0 -5.4 -16.9 -5.7 23.4 105 115 A V << - 0 0 48 -3,-1.4 2,-0.2 -4,-0.6 -5,-0.1 -0.529 51.3-151.7 -70.6 129.8 -13.1 -5.1 23.5 106 116 A T > - 0 0 70 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.581 26.3-112.6 -98.0 161.2 -12.0 -4.3 27.0 107 117 A E H > S+ 0 0 153 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.895 118.4 54.5 -50.1 -45.5 -9.1 -2.3 28.4 108 118 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 109.2 45.5 -64.5 -39.4 -7.6 -5.5 29.7 109 119 A E H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.915 110.2 54.0 -70.7 -44.4 -7.7 -7.3 26.4 110 120 A F H X S+ 0 0 87 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.960 113.2 44.0 -50.7 -51.8 -6.3 -4.3 24.5 111 121 A D H X S+ 0 0 95 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.886 109.0 56.0 -65.0 -38.9 -3.4 -4.3 27.0 112 122 A R H X S+ 0 0 94 -4,-2.4 4,-0.7 2,-0.2 5,-0.2 0.900 116.1 38.2 -55.6 -43.6 -2.9 -8.1 26.9 113 123 A V H >X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.6 0.959 118.8 43.7 -76.7 -53.7 -2.5 -7.9 23.1 114 124 A F H 3X>S+ 0 0 48 -4,-2.8 5,-2.8 -5,-0.2 4,-1.5 0.839 104.5 64.1 -65.3 -34.3 -0.5 -4.6 22.7 115 125 A S H 3<>S+ 0 0 26 -4,-2.3 5,-1.0 -5,-0.3 -1,-0.2 0.842 120.4 21.7 -59.3 -35.8 1.9 -5.4 25.6 116 126 A L H <<>S+ 0 0 20 -4,-0.7 5,-1.1 -3,-0.6 -2,-0.2 0.901 126.8 44.0 -93.7 -56.7 3.3 -8.4 23.7 117 127 A N H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.762 133.5 10.1 -64.6 -31.2 2.5 -8.0 20.0 118 128 A T T X5S+ 0 0 9 -4,-1.5 4,-2.0 -5,-0.4 -3,-0.2 0.775 133.5 37.2-119.8 -62.2 3.5 -4.3 19.7 119 129 A R H > - 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