==== 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 DEHYDROGENASE 16-JAN-98 1A27 . COMPND 2 MOLECULE: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAZZA,R.BRETON,D.HOUSSET,J.-C.FONTECILLA-CAMPS . 285 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.6 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.5 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 2 0 2 1 1 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 2 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 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 1 A A 0 0 50 0, 0.0 30,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 177.4 25.3 -1.6 26.1 2 2 A R + 0 0 138 26,-0.2 2,-0.5 28,-0.1 28,-0.2 0.869 360.0 63.9 -49.0 -64.3 22.1 0.0 27.3 3 3 A T E S-a 30 0A 44 26,-2.2 28,-3.1 82,-0.1 2,-0.6 -0.434 74.8-149.6 -69.4 114.1 19.9 0.8 24.2 4 4 A V E -a 31 0A 0 -2,-0.5 82,-2.3 26,-0.2 81,-2.0 -0.723 16.6-173.5 -85.0 117.5 19.0 -2.6 22.7 5 5 A V E -ab 32 86A 0 26,-2.8 28,-3.3 -2,-0.6 2,-0.5 -0.934 9.2-168.6-114.7 128.2 18.6 -2.2 18.9 6 6 A L E -ab 33 87A 0 80,-2.5 82,-2.8 -2,-0.4 2,-0.4 -0.993 11.5-171.8-119.2 121.0 17.3 -5.1 16.7 7 7 A I E -ab 34 88A 0 26,-2.3 28,-2.6 -2,-0.5 2,-0.3 -0.945 12.1-143.3-118.8 134.4 17.6 -4.5 12.9 8 8 A T S S+ 0 0 3 80,-2.0 28,-0.1 -2,-0.4 57,-0.1 -0.684 76.0 21.5 -96.0 148.1 16.3 -6.6 10.0 9 9 A G + 0 0 23 55,-0.3 6,-0.5 -2,-0.3 3,-0.4 0.958 66.7 155.4 65.4 61.4 18.1 -7.2 6.7 10 10 A C + 0 0 0 25,-2.9 26,-0.2 -3,-0.3 -1,-0.1 0.245 40.8 97.2-102.8 11.7 21.7 -6.6 7.7 11 11 A S S S- 0 0 43 24,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.796 101.5 -16.8 -69.8 -22.2 23.6 -8.6 5.1 12 12 A S S >> S+ 0 0 43 -3,-0.4 4,-1.3 32,-0.1 3,-0.6 -0.930 104.7 21.4-162.9-178.3 24.1 -5.4 3.1 13 13 A G H 3> S- 0 0 5 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 -0.024 113.9 -3.5 47.7-144.7 23.0 -1.9 2.4 14 14 A I H 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.883 135.2 49.7 -43.4 -50.4 21.1 0.3 4.9 15 15 A G H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.5 -5,-0.2 0.941 111.5 48.3 -60.7 -47.3 20.8 -2.4 7.5 16 16 A L H X S+ 0 0 2 -4,-1.3 4,-1.7 -7,-0.4 -2,-0.2 0.935 115.5 42.8 -59.4 -52.1 24.5 -3.3 7.4 17 17 A H H X S+ 0 0 38 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.838 113.3 52.9 -67.1 -32.7 25.7 0.3 7.6 18 18 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.936 106.7 52.0 -68.5 -45.7 23.2 1.1 10.3 19 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.936 116.1 40.0 -56.2 -46.9 24.2 -1.8 12.6 20 20 A V H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.832 110.9 56.8 -74.5 -29.8 27.9 -0.8 12.4 21 21 A R H < S+ 0 0 54 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.904 114.4 41.1 -66.4 -36.9 27.2 2.9 12.7 22 22 A L H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 8,-0.4 0.906 115.4 47.3 -76.0 -45.6 25.3 2.2 16.0 23 23 A A H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.839 114.4 48.4 -69.3 -24.7 27.7 -0.4 17.4 24 24 A S T 3< S+ 0 0 28 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.215 82.9 138.0 -96.8 14.9 30.8 1.8 16.6 25 25 A D X - 0 0 18 -3,-1.3 3,-2.9 1,-0.1 5,-0.2 -0.433 61.5-126.7 -64.9 131.0 29.1 4.9 18.2 26 26 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.850 109.9 54.1 -36.9 -55.3 31.4 7.1 20.3 27 27 A S T 3 S- 0 0 72 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.568 94.2-146.4 -62.0 -11.5 29.0 6.9 23.3 28 28 A Q < + 0 0 132 -3,-2.9 -26,-0.2 1,-0.1 -1,-0.1 0.818 55.9 132.8 44.2 37.2 29.1 3.1 23.1 29 29 A S + 0 0 38 -28,-0.1 -26,-2.2 -7,-0.1 2,-0.4 0.417 42.4 87.0 -94.5 -0.3 25.4 3.2 24.3 30 30 A F E -a 3 0A 16 -8,-0.4 2,-0.6 -28,-0.2 -26,-0.2 -0.837 52.4-165.1-109.8 137.2 24.0 0.7 21.8 31 31 A K E -a 4 0A 14 -28,-3.1 -26,-2.8 -2,-0.4 2,-0.6 -0.963 26.2-156.2-112.0 111.1 23.8 -3.1 21.9 32 32 A V E -ac 5 59A 0 26,-3.6 28,-3.0 -2,-0.6 2,-0.8 -0.840 21.3-166.9-104.1 125.3 23.0 -4.2 18.4 33 33 A Y E -ac 6 60A 0 -28,-3.3 -26,-2.3 -2,-0.6 2,-0.7 -0.896 17.2-162.7-100.5 100.8 21.3 -7.4 17.2 34 34 A A E -ac 7 61A 0 26,-2.6 28,-1.7 -2,-0.8 2,-0.3 -0.856 10.0-160.1 -90.2 111.4 22.0 -7.4 13.5 35 35 A T E - c 0 62A 0 -28,-2.6 -25,-2.9 -2,-0.7 2,-0.3 -0.675 10.2-174.6-100.5 145.9 19.6 -9.9 11.9 36 36 A L E - c 0 63A 0 26,-1.9 28,-2.7 -2,-0.3 3,-0.3 -0.998 33.9-129.6-136.7 149.6 20.0 -11.5 8.5 37 37 A R S S+ 0 0 140 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.909 107.4 23.8 -62.5 -40.7 17.8 -13.8 6.4 38 38 A D S > S- 0 0 39 1,-0.1 3,-2.2 26,-0.1 -1,-0.3 -0.919 70.2-155.4-131.2 110.7 20.8 -16.1 6.0 39 39 A L G > S+ 0 0 54 -2,-0.5 3,-2.3 -3,-0.3 -1,-0.1 0.826 88.9 71.3 -51.2 -34.7 23.6 -16.1 8.6 40 40 A K G 3 S+ 0 0 181 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.694 90.7 60.8 -62.3 -10.8 26.2 -17.4 6.2 41 41 A T G X S+ 0 0 54 -3,-2.2 3,-0.8 1,-0.2 4,-0.4 0.342 71.2 105.6 -95.9 10.7 26.2 -14.1 4.3 42 42 A Q T <> + 0 0 50 -3,-2.3 4,-2.0 1,-0.2 3,-0.2 0.492 48.9 97.6 -72.0 -0.5 27.3 -12.1 7.4 43 43 A G H 3> S+ 0 0 47 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.867 81.4 47.2 -53.8 -48.3 30.9 -11.7 6.0 44 44 A R H <> S+ 0 0 137 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.865 108.1 56.7 -67.3 -33.6 30.4 -8.2 4.7 45 45 A L H > S+ 0 0 0 -4,-0.4 4,-2.9 -3,-0.2 -1,-0.2 0.958 110.8 43.3 -60.6 -54.3 28.8 -7.0 7.9 46 46 A W H X S+ 0 0 89 -4,-2.0 4,-3.4 2,-0.2 5,-0.4 0.947 109.2 56.7 -62.7 -42.5 31.8 -8.0 10.0 47 47 A E H X S+ 0 0 145 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.961 114.3 40.3 -52.4 -48.7 34.3 -6.6 7.4 48 48 A A H X S+ 0 0 27 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.919 113.8 53.9 -66.0 -40.0 32.6 -3.2 7.8 49 49 A A H ><>S+ 0 0 2 -4,-2.9 5,-1.1 1,-0.2 3,-0.6 0.890 109.8 47.2 -61.4 -39.8 32.2 -3.7 11.5 50 50 A R H 3<5S+ 0 0 193 -4,-3.4 3,-0.3 1,-0.2 -1,-0.2 0.758 105.8 58.7 -74.2 -22.9 36.0 -4.4 11.9 51 51 A A H 3<5S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.687 111.8 42.8 -75.7 -15.1 36.8 -1.4 9.8 52 52 A L T <<5S- 0 0 90 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.446 109.9-121.9-109.2 -4.2 34.9 0.7 12.3 53 53 A A T 5 - 0 0 80 -4,-0.5 -3,-0.2 -3,-0.3 -4,-0.1 0.984 32.8-169.4 66.0 59.6 36.2 -0.9 15.5 54 54 A C < - 0 0 26 -5,-1.1 -1,-0.2 1,-0.1 -30,-0.2 -0.707 26.9-114.6 -86.2 121.5 33.1 -2.1 17.2 55 55 A P > - 0 0 47 0, 0.0 3,-2.9 0, 0.0 4,-0.5 -0.158 40.6 -90.8 -54.1 137.4 33.8 -3.2 20.8 56 56 A P T 3 S+ 0 0 136 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.257 117.1 25.1 -49.3 137.7 33.2 -6.9 21.5 57 57 A G T 3 S+ 0 0 55 2,-0.4 3,-0.1 -3,-0.1 -25,-0.1 0.186 94.4 96.6 87.9 -15.8 29.6 -7.3 22.6 58 58 A S S < S+ 0 0 10 -3,-2.9 -26,-3.6 1,-0.2 2,-0.4 0.752 89.9 38.6 -74.7 -19.8 28.3 -4.2 20.9 59 59 A L E +c 32 0A 12 -4,-0.5 -2,-0.4 -28,-0.2 2,-0.4 -0.987 61.9 171.6-139.3 124.9 27.2 -6.3 17.9 60 60 A E E -c 33 0A 70 -28,-3.0 -26,-2.6 -2,-0.4 2,-0.4 -0.994 20.8-142.6-128.7 140.1 25.6 -9.8 17.7 61 61 A T E +c 34 0A 25 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.807 18.9 178.0-106.3 144.2 24.2 -11.4 14.6 62 62 A L E -c 35 0A 17 -28,-1.7 -26,-1.9 -2,-0.4 2,-0.4 -0.950 33.3-110.9-131.6 160.6 21.1 -13.6 14.5 63 63 A Q E +c 36 0A 104 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.748 42.5 165.6 -86.8 130.2 19.2 -15.4 11.7 64 64 A L - 0 0 4 -28,-2.7 2,-0.6 -2,-0.4 -55,-0.3 -0.847 17.5-172.1-152.1 110.8 15.8 -13.8 11.1 65 65 A D > - 0 0 33 -2,-0.3 3,-1.8 3,-0.2 7,-0.3 -0.944 15.6-151.7-102.5 109.6 13.7 -14.5 8.0 66 66 A V T 3 S+ 0 0 10 -2,-0.6 54,-0.2 1,-0.3 55,-0.1 0.587 90.2 65.7 -59.8 -14.3 10.7 -12.1 7.9 67 67 A R T 3 S+ 0 0 117 1,-0.2 2,-0.5 53,-0.1 -1,-0.3 0.571 97.3 65.1 -82.0 -11.7 8.5 -14.6 5.9 68 68 A D <> - 0 0 70 -3,-1.8 4,-2.2 1,-0.1 3,-0.4 -0.910 62.2-164.7-120.4 108.1 8.6 -17.0 8.9 69 69 A S H > S+ 0 0 72 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.740 93.2 58.2 -62.1 -24.6 7.0 -16.1 12.2 70 70 A K H > S+ 0 0 170 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.904 107.3 47.0 -71.4 -39.1 8.8 -19.0 14.0 71 71 A S H > S+ 0 0 22 -3,-0.4 4,-2.6 -6,-0.2 -2,-0.2 0.898 113.0 50.3 -65.2 -44.5 12.1 -17.5 12.8 72 72 A V H X S+ 0 0 2 -4,-2.2 4,-2.0 -7,-0.3 -2,-0.2 0.938 114.0 43.1 -59.7 -48.4 10.9 -14.0 14.1 73 73 A A H X S+ 0 0 29 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.962 111.7 54.2 -65.1 -45.3 9.9 -15.4 17.5 74 74 A A H X S+ 0 0 33 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.944 109.6 48.6 -51.7 -46.4 13.1 -17.5 17.8 75 75 A A H >< S+ 0 0 2 -4,-2.6 3,-0.8 1,-0.2 4,-0.3 0.913 108.0 53.8 -61.0 -42.9 15.1 -14.3 17.2 76 76 A R H >< S+ 0 0 90 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.903 104.6 56.3 -56.8 -42.4 13.1 -12.4 19.8 77 77 A E H 3< S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 98.8 60.5 -62.0 -24.4 13.9 -15.1 22.3 78 78 A R T << S+ 0 0 147 -4,-1.0 2,-1.2 -3,-0.8 -1,-0.3 0.434 72.1 106.9 -82.7 -5.3 17.7 -14.6 21.8 79 79 A V X - 0 0 9 -3,-1.6 3,-1.5 -4,-0.3 -73,-0.0 -0.685 58.2-164.6 -72.7 103.4 17.5 -11.0 22.9 80 80 A T T 3 S+ 0 0 108 -2,-1.2 -1,-0.2 1,-0.3 -4,-0.0 0.847 80.9 63.5 -61.5 -32.9 19.2 -11.7 26.3 81 81 A E T 3 S- 0 0 43 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.689 101.8-131.2 -64.5 -15.6 18.2 -8.4 27.8 82 82 A G S < S+ 0 0 45 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.640 78.2 76.6 70.7 13.7 14.5 -9.5 27.5 83 83 A R - 0 0 44 -7,-0.0 2,-0.5 46,-0.0 -2,-0.2 -0.995 62.6-150.6-150.4 156.1 13.7 -6.1 25.9 84 84 A V + 0 0 14 -2,-0.3 3,-0.2 41,-0.2 -79,-0.2 -0.991 11.4 178.8-126.9 120.6 14.1 -4.2 22.6 85 85 A D S S+ 0 0 39 -81,-2.0 51,-2.0 -2,-0.5 2,-0.4 0.746 77.4 27.7 -89.4 -32.0 14.4 -0.4 22.8 86 86 A V E -bd 5 136A 2 -82,-2.3 -80,-2.5 49,-0.2 2,-0.6 -0.962 66.7-170.5-134.2 115.4 14.7 0.3 19.1 87 87 A L E -bd 6 137A 0 49,-2.9 51,-3.0 -2,-0.4 2,-0.6 -0.938 6.8-164.5-107.5 121.9 13.2 -2.0 16.4 88 88 A V E -bd 7 138A 1 -82,-2.8 -80,-2.0 -2,-0.6 2,-1.0 -0.916 5.3-161.4-112.1 110.3 14.3 -1.2 12.9 89 89 A C E + d 0 139A 6 49,-3.2 51,-2.6 -2,-0.6 -82,-0.1 -0.803 37.4 138.2 -93.1 101.7 12.2 -2.8 10.1 90 90 A N + 0 0 22 -2,-1.0 -1,-0.2 49,-0.2 -81,-0.1 0.635 20.4 115.8-119.5 -24.5 14.4 -2.6 7.1 91 91 A A + 0 0 26 -3,-0.2 2,-0.3 26,-0.1 -82,-0.1 -0.239 41.2 152.3 -55.3 142.3 14.2 -5.9 5.1 92 92 A G - 0 0 24 -83,-0.0 2,-0.3 25,-0.0 18,-0.1 -0.964 31.1-147.6-170.6 152.7 12.8 -5.3 1.7 93 93 A L - 0 0 49 -2,-0.3 2,-0.2 17,-0.2 99,-0.1 -0.887 12.5-139.2-127.2 152.8 12.7 -6.5 -2.0 94 94 A G - 0 0 18 -2,-0.3 2,-0.3 98,-0.3 58,-0.0 -0.541 10.2-167.3-105.2 168.2 12.2 -4.8 -5.3 95 95 A L - 0 0 12 -2,-0.2 60,-0.5 56,-0.0 2,-0.3 -0.774 11.6-177.2-160.0 119.0 10.2 -6.0 -8.3 96 96 A L + 0 0 8 100,-0.8 56,-0.2 -2,-0.3 102,-0.1 -0.957 28.0 61.3-127.2 146.6 10.6 -4.5 -11.7 97 97 A G S S- 0 0 2 54,-2.0 56,-0.3 -2,-0.3 5,-0.1 -0.622 83.4 -32.4 134.1 173.0 8.9 -4.9 -15.2 98 98 A P > - 0 0 1 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.293 58.3-123.0 -52.5 137.1 5.7 -4.7 -17.1 99 99 A L G > S+ 0 0 98 1,-0.3 3,-1.6 2,-0.2 108,-0.0 0.910 111.1 53.4 -52.0 -45.8 2.7 -5.5 -14.9 100 100 A E G 3 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.0 107,-0.0 0.675 103.2 57.6 -67.5 -13.2 1.6 -8.3 -17.2 101 101 A A G < S+ 0 0 18 -3,-1.4 2,-0.5 2,-0.1 -1,-0.2 0.496 83.1 103.5 -92.8 -5.9 5.1 -10.0 -17.2 102 102 A L < - 0 0 31 -3,-1.6 2,-0.1 -4,-0.5 -5,-0.1 -0.647 65.9-139.0 -82.5 130.3 5.1 -10.4 -13.4 103 103 A G > - 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0 0 73 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.511 41.9-108.1 -82.5 162.6 3.7 -6.3 -26.2 209 209 A I H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.783 116.2 50.6 -62.7 -33.0 6.4 -4.6 -28.3 210 210 A H H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 111.9 46.0 -75.5 -41.7 5.4 -1.1 -27.3 211 211 A T H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 111.5 54.1 -63.7 -43.3 5.3 -1.8 -23.6 212 212 A F H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.946 108.9 47.8 -55.3 -48.5 8.7 -3.5 -24.0 213 213 A H H X S+ 0 0 96 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.923 110.4 50.9 -59.9 -45.2 10.1 -0.4 -25.7 214 214 A R H X S+ 0 0 107 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.854 108.1 55.2 -64.4 -30.9 8.7 1.8 -22.9 215 215 A F H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 105.4 50.0 -66.6 -42.7 10.4 -0.6 -20.5 216 216 A Y H X S+ 0 0 164 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.820 110.7 51.6 -61.9 -37.5 13.8 -0.1 -22.1 217 217 A Q H X S+ 0 0 49 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.840 108.8 49.5 -69.4 -36.4 13.2 3.6 -21.9 218 218 A Y H X S+ 0 0 17 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.858 111.4 50.5 -68.8 -37.9 12.4 3.4 -18.2 219 219 A L H X S+ 0 0 70 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.886 109.1 49.5 -67.6 -39.3 15.6 1.3 -17.7 220 220 A A H >X S+ 0 0 50 -4,-2.1 4,-1.5 2,-0.2 3,-0.7 0.978 114.1 48.2 -61.5 -50.3 17.7 3.9 -19.6 221 221 A H H 3X S+ 0 0 31 -4,-2.3 4,-2.7 1,-0.3 3,-0.3 0.930 108.5 50.4 -59.7 -42.1 16.2 6.6 -17.3 222 222 A S H 3X S+ 0 0 23 -4,-3.0 4,-2.2 1,-0.2 -1,-0.3 0.814 102.2 63.1 -72.3 -18.7 16.6 4.8 -14.0 223 223 A K H > - 0 0 69 -2,-0.2 4,-1.6 -44,-0.2 3,-1.1 -0.783 26.4-118.4 -94.2 147.8 25.4 6.0 0.2 233 233 A P H 3> S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.759 111.8 63.8 -55.1 -27.0 24.0 3.8 3.0 234 234 A E H 3> S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.899 102.8 48.4 -63.7 -41.3 26.2 5.7 5.6 235 235 A E H <> S+ 0 0 92 -3,-1.1 4,-0.8 2,-0.2 3,-0.3 0.935 112.2 49.0 -64.7 -45.1 24.3 8.9 4.9 236 236 A V H >X S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.2 4,-1.4 0.950 105.5 58.4 -62.7 -43.4 21.0 7.1 5.2 237 237 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.825 99.6 58.2 -53.5 -35.7 22.2 5.5 8.5 238 238 A E H 3X S+ 0 0 72 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.3 0.796 100.6 56.2 -66.3 -28.9 22.7 9.0 10.0 239 239 A V H S+ 0 0 122 -2,-0.3 3,-1.2 1,-0.2 -2,-0.0 0.372 76.8 101.0 -99.3 -3.5 15.0 17.1 0.0 258 258 A R T 3 S+ 0 0 125 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.620 79.5 40.1 -50.2 -40.8 15.4 16.3 -3.7 259 259 A F T 3> S+ 0 0 29 -3,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.320 86.4 99.4-102.3 6.8 12.0 14.7 -4.5 260 260 A L H <> S+ 0 0 41 -3,-1.2 4,-3.3 1,-0.2 5,-0.2 0.922 77.1 53.6 -65.1 -41.5 9.8 17.0 -2.5 261 261 A P H > S+ 0 0 90 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.867 111.7 47.7 -55.3 -44.1 8.6 19.3 -5.3 262 262 A L H 4 S+ 0 0 37 2,-0.2 -2,-0.2 -3,-0.2 17,-0.1 0.906 112.5 49.6 -64.1 -41.6 7.5 16.3 -7.1 263 263 A L H >< S+ 0 0 20 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.899 107.4 54.5 -65.9 -38.8 5.8 15.1 -3.9 264 264 A R H >X S+ 0 0 136 -4,-3.3 4,-2.5 1,-0.3 3,-1.4 0.873 96.7 65.9 -64.8 -32.5 4.1 18.4 -3.4 265 265 A M T 3< S+ 0 0 59 -4,-1.6 10,-0.7 1,-0.2 -1,-0.3 0.342 92.6 61.3 -75.9 15.7 2.6 18.3 -6.9 266 266 A R T <4 S+ 0 0 83 -3,-1.4 -1,-0.2 8,-0.1 6,-0.2 0.571 114.7 33.7-105.8 -17.8 0.4 15.3 -5.9 267 267 A L T <4 S+ 0 0 84 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.785 111.1 56.7-100.9 -51.3 -1.3 17.4 -3.3 268 268 A D S < S+ 0 0 121 -4,-2.5 -3,-0.2 1,-0.3 3,-0.1 0.697 118.2 41.2 -65.4 -14.0 -1.4 20.9 -4.8 269 269 A D S > S- 0 0 22 -5,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.797 77.8-176.4-129.2 88.3 -3.3 19.2 -7.6 270 270 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.806 77.6 70.4 -58.8 -22.8 -5.6 16.8 -5.8 271 271 A S T 3 S- 0 0 93 1,-0.1 -4,-0.1 -3,-0.1 -5,-0.0 0.679 101.2-138.4 -66.7 -17.5 -6.9 15.2 -9.0 272 272 A G S <> S+ 0 0 24 -3,-2.2 4,-1.3 -6,-0.2 -1,-0.1 0.457 71.1 113.7 71.8 11.4 -3.4 13.8 -9.1 273 273 A S H > + 0 0 58 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.774 64.7 62.3 -81.6 -30.1 -2.9 14.4 -12.8 274 274 A N H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.964 106.9 47.6 -59.1 -49.8 -0.2 17.1 -12.6 275 275 A Y H > S+ 0 0 15 -10,-0.7 4,-3.3 -6,-0.3 5,-0.3 0.957 111.6 49.8 -54.5 -54.4 2.0 14.5 -11.0 276 276 A V H X S+ 0 0 96 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.917 113.7 45.4 -55.0 -47.1 1.1 11.8 -13.7 277 277 A T H X S+ 0 0 96 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.932 115.9 46.7 -62.4 -46.4 1.9 14.2 -16.5 278 278 A A H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.853 112.6 48.3 -63.8 -40.7 5.2 15.4 -14.9 279 279 A M H X S+ 0 0 19 -4,-3.3 4,-2.3 -5,-0.2 5,-0.2 0.917 110.1 52.6 -70.8 -37.8 6.4 11.9 -14.0 280 280 A H H X>S+ 0 0 93 -4,-2.2 4,-2.5 -5,-0.3 5,-0.7 0.910 111.0 47.7 -62.0 -40.1 5.7 10.7 -17.6 281 281 A R H X5S+ 0 0 186 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.936 111.8 49.6 -67.8 -41.5 7.7 13.6 -19.0 282 282 A E H <5S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 120.5 35.4 -65.2 -37.3 10.7 12.9 -16.6 283 283 A V H <5S+ 0 0 7 -4,-2.3 -62,-0.2 -5,-0.2 -2,-0.2 0.915 131.3 21.5 -82.1 -48.6 10.8 9.2 -17.5 284 284 A F H <5 0 0 29 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.628 360.0 360.0-100.1 -17.1 9.9 8.9 -21.1 285 285 A G << 0 0 81 -4,-1.2 -1,-0.2 -5,-0.7 -2,-0.1 -0.269 360.0 360.0 105.2 360.0 10.7 12.4 -22.5