==== 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 4FJ0 . COMPND 2 MOLECULE: 17BETA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COCHLIOBOLUS LUNATUS; . AUTHOR A.CASSETTA,D.LAMBA,I.KRASTANOVA . 1040 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 13.1 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 . 56 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 2 4 9 5 8 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 8 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 4 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 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.9 -4.5 -11.2 48.4 2 12 A I > - 0 0 88 524,-0.0 3,-0.5 523,-0.0 2,-0.1 -0.927 360.0-145.6-112.1 110.5 -5.9 -13.3 45.5 3 13 A P T 3 + 0 0 26 0, 0.0 523,-0.1 0, 0.0 236,-0.0 -0.414 64.0 11.2 -78.8 146.0 -6.1 -11.3 42.2 4 14 A G T 3 S+ 0 0 11 1,-0.2 2,-0.1 -2,-0.1 237,-0.1 0.690 73.9 155.5 79.9 25.0 -8.7 -11.6 39.5 5 15 A R < - 0 0 107 -3,-0.5 238,-0.4 1,-0.1 27,-0.2 -0.419 31.9-157.2 -88.4 165.6 -11.4 -13.8 40.9 6 16 A L > + 0 0 6 25,-3.3 3,-2.4 22,-0.2 28,-0.2 -0.066 26.5 162.8-132.3 28.4 -15.1 -13.8 39.7 7 17 A D T 3 S+ 0 0 99 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.249 72.6 16.3 -57.3 134.8 -17.0 -15.2 42.6 8 18 A G T 3 S+ 0 0 56 24,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.323 102.1 119.6 83.6 -8.1 -20.7 -14.4 42.4 9 19 A K < - 0 0 96 -3,-2.4 25,-2.7 23,-0.1 2,-0.4 -0.528 53.9-144.7 -89.6 159.3 -20.4 -13.6 38.7 10 20 A V E -a 34 0A 2 23,-0.2 78,-2.5 -2,-0.2 79,-1.9 -0.989 18.5-172.7-124.1 130.0 -22.2 -15.3 35.8 11 21 A A E -ab 35 89A 0 23,-3.2 25,-2.8 -2,-0.4 2,-0.4 -0.873 11.8-157.1-122.8 150.1 -20.4 -15.7 32.5 12 22 A L E -ab 36 90A 0 77,-2.2 79,-3.0 -2,-0.3 2,-0.4 -0.998 8.7-169.9-125.6 133.2 -21.6 -16.9 29.0 13 23 A V E > -ab 37 91A 0 23,-2.4 25,-2.0 -2,-0.4 3,-0.7 -0.981 14.8-141.1-125.6 121.5 -19.2 -18.3 26.4 14 24 A T T 3 S+ 0 0 0 77,-2.6 79,-0.3 -2,-0.4 25,-0.1 -0.546 86.2 11.5 -78.5 142.8 -20.2 -19.0 22.8 15 25 A G T 3 S+ 0 0 19 -2,-0.2 3,-0.4 78,-0.1 6,-0.4 0.894 82.0 144.8 60.9 45.4 -18.7 -22.1 21.3 16 26 A S < + 0 0 0 22,-2.5 23,-0.2 -3,-0.7 10,-0.1 0.268 39.5 91.6-105.4 11.8 -17.4 -23.4 24.6 17 27 A G S S- 0 0 4 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.773 102.7 -3.4 -67.9 -28.2 -17.9 -27.1 24.0 18 28 A R S >> S+ 0 0 122 -3,-0.4 4,-0.8 31,-0.0 3,-0.6 -0.956 105.7 20.6-154.7 171.7 -14.3 -27.3 22.6 19 29 A G H 3> S- 0 0 27 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.274 117.6 -15.8 69.3-146.0 -11.2 -25.5 21.7 20 30 A I H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 137.1 56.9 -61.1 -42.2 -10.4 -22.0 23.0 21 31 A G H <> S+ 0 0 0 -3,-0.6 4,-2.7 -6,-0.4 -5,-0.2 0.877 104.2 52.7 -59.8 -38.8 -14.0 -21.6 24.2 22 32 A A H X S+ 0 0 15 -4,-0.8 4,-2.5 -7,-0.3 -1,-0.2 0.920 110.5 46.8 -60.3 -47.9 -13.8 -24.7 26.3 23 33 A A H X S+ 0 0 19 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.894 112.8 50.1 -64.3 -38.7 -10.6 -23.5 28.0 24 34 A V H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.944 111.5 48.0 -62.6 -48.5 -12.2 -20.1 28.6 25 35 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.938 114.1 45.5 -59.9 -47.6 -15.4 -21.5 30.1 26 36 A V H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.902 113.9 50.9 -63.0 -39.8 -13.5 -23.9 32.4 27 37 A H H X S+ 0 0 19 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.917 107.0 51.1 -65.6 -45.4 -11.2 -21.1 33.4 28 38 A L H <>S+ 0 0 1 -4,-2.9 5,-2.5 1,-0.2 4,-0.2 0.912 112.2 49.4 -59.5 -38.8 -14.0 -18.6 34.2 29 39 A G H ><5S+ 0 0 3 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.910 106.8 54.4 -62.0 -42.3 -15.4 -21.4 36.4 30 40 A R H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.831 105.0 54.6 -59.1 -34.5 -12.1 -21.9 38.0 31 41 A L T 3<5S- 0 0 21 -4,-2.0 -25,-3.3 -5,-0.1 -24,-0.4 0.501 130.6 -97.2 -79.7 -4.9 -12.1 -18.2 38.9 32 42 A G T < 5S+ 0 0 13 -3,-1.6 -24,-0.7 1,-0.3 -3,-0.2 0.410 77.8 136.2 109.4 1.1 -15.5 -18.7 40.6 33 43 A A < - 0 0 0 -5,-2.5 -1,-0.3 -26,-0.2 2,-0.3 -0.509 55.5-123.9 -78.1 148.5 -18.0 -17.7 37.9 34 44 A K E -a 10 0A 87 -25,-2.7 -23,-3.2 -28,-0.2 2,-0.4 -0.682 39.6-145.1 -80.5 143.6 -21.1 -19.6 37.1 35 45 A V E -ac 11 60A 0 24,-2.4 26,-1.8 -2,-0.3 2,-0.7 -0.951 23.3-154.0-130.6 130.3 -21.0 -20.5 33.4 36 46 A V E -ac 12 61A 0 -25,-2.8 -23,-2.4 -2,-0.4 2,-0.9 -0.893 21.9-156.0 -94.4 116.3 -23.3 -20.8 30.5 37 47 A V E -ac 13 62A 0 24,-3.2 26,-2.2 -2,-0.7 2,-0.3 -0.825 10.0-164.8 -98.0 100.4 -21.7 -23.1 28.0 38 48 A N E + c 0 63A 1 -25,-2.0 -22,-2.5 -2,-0.9 -21,-0.5 -0.664 14.5 165.6 -85.4 141.0 -23.0 -22.5 24.5 39 49 A Y E - c 0 64A 34 24,-1.2 26,-2.3 -2,-0.3 4,-0.0 -0.945 28.2-161.3-142.2 165.5 -22.5 -25.0 21.7 40 50 A A S S- 0 0 38 -2,-0.3 26,-0.1 24,-0.2 -1,-0.1 0.685 89.2 -7.8-113.0 -39.6 -23.9 -25.6 18.3 41 51 A N S S+ 0 0 139 24,-0.1 2,-2.0 1,-0.1 3,-0.2 0.601 109.2 85.6-129.0 -31.9 -23.0 -29.3 17.5 42 52 A S > + 0 0 29 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.442 44.6 156.7 -85.3 69.4 -20.6 -30.6 20.1 43 53 A T H > S+ 0 0 60 -2,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.914 72.1 45.8 -59.5 -48.4 -23.2 -31.8 22.7 44 54 A K H > S+ 0 0 161 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.888 112.8 49.9 -66.2 -41.2 -20.9 -34.3 24.5 45 55 A D H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 108.3 53.3 -63.8 -41.8 -18.0 -32.0 24.7 46 56 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.897 107.6 52.1 -59.9 -40.0 -20.2 -29.3 26.1 47 57 A E H X S+ 0 0 109 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.865 107.7 52.3 -62.8 -38.4 -21.3 -31.8 28.8 48 58 A K H X S+ 0 0 127 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.901 110.2 47.5 -62.5 -42.0 -17.7 -32.5 29.6 49 59 A V H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.946 111.8 50.1 -65.3 -45.8 -17.0 -28.8 30.1 50 60 A V H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.938 111.4 49.6 -54.1 -50.2 -20.1 -28.4 32.3 51 61 A S H X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.870 109.9 50.9 -58.3 -41.5 -18.9 -31.4 34.3 52 62 A E H X S+ 0 0 97 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.893 109.0 50.2 -65.4 -39.6 -15.5 -29.9 34.7 53 63 A I H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 -2,-0.2 0.897 111.5 48.3 -65.5 -40.4 -16.9 -26.6 35.9 54 64 A K H ><5S+ 0 0 111 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.871 108.2 56.2 -66.2 -35.0 -19.0 -28.4 38.5 55 65 A A H 3<5S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 101.7 56.2 -63.6 -39.5 -15.9 -30.4 39.6 56 66 A L T 3<5S- 0 0 71 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.467 128.1 -99.6 -70.7 -5.5 -14.0 -27.1 40.2 57 67 A G T < 5S+ 0 0 70 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.536 90.0 99.4 102.2 8.9 -16.8 -26.1 42.6 58 68 A S < - 0 0 19 -5,-2.1 2,-0.3 -25,-0.0 -1,-0.3 -0.342 68.1-108.3-108.5-166.1 -18.9 -23.8 40.4 59 69 A D + 0 0 58 -26,-0.2 -24,-2.4 -2,-0.1 2,-0.3 -0.934 33.7 169.0-127.1 152.9 -22.1 -24.3 38.4 60 70 A A E -c 35 0A 3 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.989 16.9-159.9-157.0 158.8 -22.8 -24.5 34.7 61 71 A I E -c 36 0A 50 -26,-1.8 -24,-3.2 -2,-0.3 2,-0.5 -0.989 18.6-133.7-141.3 142.9 -25.4 -25.3 32.1 62 72 A A E -c 37 0A 33 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.849 23.5-175.2 -95.7 131.2 -25.0 -26.2 28.4 63 73 A I E -c 38 0A 13 -26,-2.2 -24,-1.2 -2,-0.5 2,-0.3 -0.972 18.7-136.9-130.9 120.9 -27.3 -24.4 26.0 64 74 A K E +c 39 0A 137 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.572 36.6 151.5 -73.1 129.3 -27.5 -25.2 22.3 65 75 A A - 0 0 3 -26,-2.3 2,-0.8 -2,-0.3 -24,-0.1 -0.890 42.8-134.0-159.1 132.6 -27.7 -22.1 20.0 66 76 A D > - 0 0 55 -2,-0.3 3,-2.2 1,-0.1 6,-0.3 -0.781 17.2-155.9 -85.2 109.8 -26.6 -21.5 16.4 67 77 A I T 3 S+ 0 0 6 -2,-0.8 -1,-0.1 1,-0.3 56,-0.1 0.597 88.3 70.7 -71.2 -10.1 -24.9 -18.1 16.6 68 78 A R T 3 S+ 0 0 67 1,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.724 89.2 73.0 -68.8 -23.1 -25.5 -17.6 12.9 69 79 A Q X> - 0 0 97 -3,-2.2 4,-1.5 1,-0.2 3,-0.8 -0.846 69.6-161.3-100.4 108.7 -29.2 -17.2 13.8 70 80 A V H 3> S+ 0 0 3 -2,-0.7 4,-2.4 1,-0.3 3,-0.4 0.902 91.8 55.8 -59.5 -41.8 -29.9 -13.9 15.6 71 81 A P H 3> S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.872 106.8 52.0 -58.3 -30.9 -33.2 -15.1 17.1 72 82 A E H <> S+ 0 0 66 -3,-0.8 4,-2.1 -6,-0.3 -2,-0.2 0.819 107.1 52.8 -74.5 -28.5 -31.3 -18.0 18.6 73 83 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.4 5,-0.2 0.939 108.3 49.7 -65.6 -49.3 -28.8 -15.6 20.1 74 84 A V H X S+ 0 0 41 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.949 113.3 46.9 -53.8 -48.1 -31.6 -13.6 21.7 75 85 A K H X S+ 0 0 114 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.868 107.8 56.3 -62.6 -42.0 -33.1 -16.8 23.1 76 86 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.932 111.5 42.3 -55.3 -49.0 -29.7 -18.0 24.4 77 87 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.897 113.1 53.0 -68.7 -40.6 -29.3 -14.8 26.4 78 88 A D H X S+ 0 0 87 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.917 112.3 45.5 -57.0 -45.4 -32.9 -14.9 27.6 79 89 A Q H X S+ 0 0 98 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.851 109.7 55.5 -68.1 -36.1 -32.4 -18.5 28.8 80 90 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.952 112.5 41.2 -59.1 -52.0 -29.1 -17.6 30.5 81 91 A V H X S+ 0 0 42 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.885 112.4 54.6 -67.4 -39.1 -30.6 -14.9 32.5 82 92 A A H < S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.876 114.3 42.9 -60.5 -35.6 -33.8 -16.9 33.3 83 93 A H H < S+ 0 0 96 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.941 128.4 22.9 -78.1 -51.1 -31.6 -19.7 34.7 84 94 A F H < S- 0 0 31 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.533 98.9-122.0 -98.2 -7.6 -28.9 -17.8 36.7 85 95 A G S < S+ 0 0 56 -4,-2.3 2,-0.3 -5,-0.3 -4,-0.1 -0.070 82.6 17.2 94.8 -33.8 -30.9 -14.6 37.4 86 96 A H - 0 0 66 -6,-0.2 2,-0.4 47,-0.0 46,-0.1 -0.968 64.7-134.5-159.1 170.5 -28.4 -12.3 35.8 87 97 A L E + d 0 132A 0 44,-0.5 46,-2.2 -2,-0.3 -76,-0.2 -0.999 21.6 166.2-139.5 130.8 -25.4 -12.1 33.5 88 98 A D E + 0 0 11 -78,-2.5 49,-2.1 -2,-0.4 2,-0.4 0.659 65.3 40.7-112.1 -31.0 -22.1 -10.3 34.0 89 99 A I E -bd 11 137A 4 -79,-1.9 -77,-2.2 47,-0.2 2,-0.4 -0.993 53.7-174.3-135.4 130.0 -19.7 -11.6 31.4 90 100 A A E -bd 12 138A 1 47,-2.5 49,-2.4 -2,-0.4 2,-0.5 -0.991 3.0-171.9-126.8 121.4 -20.1 -12.5 27.7 91 101 A V E -bd 13 139A 2 -79,-3.0 -77,-2.6 -2,-0.4 2,-0.8 -0.969 9.3-157.8-114.8 116.2 -17.3 -14.1 25.8 92 102 A S + 0 0 2 47,-3.2 49,-0.4 -2,-0.5 -77,-0.1 -0.867 34.5 144.3 -95.9 109.0 -17.9 -14.3 22.0 93 103 A N + 0 0 22 -2,-0.8 -1,-0.2 -79,-0.3 -78,-0.1 0.581 22.5 118.5-122.3 -24.3 -15.6 -17.1 20.8 94 104 A S + 0 0 18 -73,-0.1 2,-0.3 22,-0.0 47,-0.2 -0.219 38.1 141.0 -56.6 133.6 -17.5 -19.0 18.1 95 105 A G - 0 0 26 -80,-0.1 2,-0.3 25,-0.0 18,-0.1 -0.966 37.9-144.5-167.8 158.0 -15.7 -18.9 14.7 96 106 A V - 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0 0 74 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.274 38.6-108.3 -64.3 159.4 4.4 -33.5 8.7 211 221 A A H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.848 121.9 50.7 -59.2 -35.2 1.6 -32.3 11.0 212 222 A E H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 109.3 49.5 -70.6 -46.5 4.0 -32.8 14.0 213 223 A Q H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.880 108.6 54.5 -55.5 -40.9 6.8 -30.8 12.3 214 224 A R H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.911 107.1 49.5 -63.8 -40.8 4.3 -28.0 11.5 215 225 A Q H X S+ 0 0 54 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.900 112.0 49.3 -63.6 -41.5 3.4 -27.7 15.2 216 226 A Q H X S+ 0 0 112 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.911 111.7 48.3 -62.3 -44.2 7.1 -27.6 16.0 217 227 A M H X S+ 0 0 46 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.875 108.8 53.3 -65.4 -37.4 7.7 -24.9 13.4 218 228 A A H >X S+ 0 0 19 -4,-2.6 3,-0.9 1,-0.2 4,-0.5 0.865 106.0 55.2 -61.2 -38.0 4.8 -23.0 14.8 219 229 A A H >< S+ 0 0 11 -4,-1.8 3,-1.1 1,-0.2 7,-1.0 0.894 104.0 53.6 -60.0 -41.6 6.4 -23.3 18.2 220 230 A H H 3< S+ 0 0 123 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.543 91.5 74.3 -75.5 -5.8 9.6 -21.7 16.8 221 231 A A H << S+ 0 0 60 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.786 89.3 68.9 -74.1 -27.4 7.7 -18.7 15.5 222 232 A S S X< S- 0 0 4 -3,-1.1 3,-2.1 -4,-0.5 36,-0.2 -0.759 86.8-133.5 -85.5 139.1 7.4 -17.5 19.1 223 233 A P T 3 S+ 0 0 14 0, 0.0 477,-0.3 0, 0.0 -1,-0.1 0.630 108.9 64.1 -62.8 -13.2 10.7 -16.4 20.6 224 234 A L T 3 S- 0 0 6 33,-0.6 -4,-0.1 2,-0.2 3,-0.1 0.510 106.1-132.9 -86.3 -5.2 9.6 -18.5 23.6 225 235 A H < + 0 0 98 -3,-2.1 2,-0.3 -6,-0.3 -5,-0.2 0.912 67.4 98.3 56.2 48.8 9.8 -21.6 21.4 226 236 A R S S- 0 0 58 -7,-1.0 -4,-0.3 -8,-0.2 -1,-0.2 -0.966 72.8-100.7-152.3 164.4 6.5 -23.1 22.3 227 237 A N - 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