==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-FEB-12 4DYD . COMPND 2 MOLECULE: DIKETOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAYLYI; . AUTHOR M.LU,M.A.WHITE,Y.HUANG,X.WU,N.LIU,X.CHENG,Y.CHEN . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.2 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 2 0 0 0 2 1 0 0 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.7 14.7 8.0 65.4 2 2 A T + 0 0 127 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.627 360.0 178.7-125.3 -56.4 16.7 10.0 67.9 3 3 A G - 0 0 43 2,-0.0 2,-0.4 84,-0.0 166,-0.0 0.094 46.2 -50.6 68.5 171.7 18.6 12.8 66.1 4 4 A I + 0 0 26 1,-0.2 3,-0.1 165,-0.2 82,-0.0 -0.657 66.7 140.3 -82.3 133.0 20.8 15.4 67.7 5 5 A T + 0 0 74 -2,-0.4 24,-2.5 1,-0.3 2,-0.6 0.523 58.0 58.7-135.8 -47.7 19.3 17.3 70.6 6 6 A N E -a 29 0A 41 79,-0.2 81,-2.2 22,-0.2 82,-1.9 -0.828 64.6-177.8 -94.3 121.1 22.0 17.9 73.3 7 7 A V E -ab 30 88A 1 22,-2.7 24,-2.6 -2,-0.6 2,-0.5 -0.974 10.7-164.7-123.4 129.3 25.0 19.8 72.1 8 8 A T E -ab 31 89A 2 80,-2.8 82,-2.9 -2,-0.5 2,-0.5 -0.947 6.0-157.7-110.7 131.4 28.1 20.6 74.1 9 9 A V E -ab 32 90A 0 22,-2.8 24,-3.1 -2,-0.5 2,-0.7 -0.939 8.3-147.9-107.3 125.0 30.5 23.2 72.9 10 10 A L E S+ab 33 91A 0 80,-2.9 82,-2.7 -2,-0.5 24,-0.2 -0.832 71.6 21.1 -93.3 117.1 34.1 23.0 74.2 11 11 A G - 0 0 7 22,-2.7 22,-0.2 -2,-0.7 23,-0.1 0.252 60.9-146.0 96.7 133.3 35.5 26.5 74.5 12 12 A T + 0 0 2 4,-0.1 34,-0.1 20,-0.1 -1,-0.1 -0.113 55.5 120.6-126.2 34.1 33.6 29.7 74.7 13 13 A G S > S- 0 0 28 79,-0.4 4,-2.4 4,-0.0 5,-0.3 0.218 86.3 -53.3 -77.1-153.1 36.0 32.1 72.8 14 14 A V H > S+ 0 0 87 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.919 141.1 23.3 -54.6 -51.5 35.2 34.1 69.7 15 15 A L H > S+ 0 0 38 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.820 118.2 60.6 -86.4 -33.6 34.0 31.1 67.7 16 16 A G H > S+ 0 0 2 76,-0.3 4,-2.4 1,-0.2 5,-0.2 0.920 108.6 45.2 -57.2 -43.5 33.0 28.8 70.6 17 17 A S H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.873 112.7 50.0 -69.3 -38.8 30.5 31.3 71.8 18 18 A Q H X S+ 0 0 9 -4,-0.9 4,-2.8 -5,-0.3 5,-0.2 0.908 112.4 48.0 -67.6 -41.1 29.1 32.0 68.3 19 19 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.950 114.3 45.3 -61.8 -50.9 28.6 28.3 67.7 20 20 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.895 116.3 46.7 -61.6 -38.9 27.0 27.7 71.0 21 21 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.957 111.2 48.6 -72.9 -47.5 24.7 30.7 70.6 22 22 A Q H X S+ 0 0 8 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.892 114.5 49.1 -53.5 -41.4 23.7 30.0 67.0 23 23 A T H <>S+ 0 0 0 -4,-2.2 5,-1.7 -5,-0.2 3,-0.2 0.901 112.3 45.7 -68.9 -42.1 22.9 26.4 68.1 24 24 A A H ><5S+ 0 0 12 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.877 107.4 59.4 -65.7 -38.5 20.9 27.6 71.2 25 25 A F H 3<5S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 102.3 54.9 -61.4 -28.5 19.0 30.1 69.0 26 26 A H T 3<5S- 0 0 73 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.208 125.8 -97.7 -96.2 16.1 17.8 27.2 66.8 27 27 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.426 75.5 136.6 95.7 0.2 16.3 25.3 69.7 28 28 A F < - 0 0 36 -5,-1.7 2,-0.9 1,-0.1 -1,-0.3 -0.406 63.1-107.6 -77.8 158.1 19.0 22.8 70.7 29 29 A A E -a 6 0A 48 -24,-2.5 -22,-2.7 -2,-0.1 2,-0.4 -0.773 46.9-163.3 -87.6 104.9 19.9 22.1 74.3 30 30 A V E -a 7 0A 6 -2,-0.9 44,-2.7 -24,-0.2 2,-0.5 -0.754 20.5-172.1-103.4 133.3 23.3 23.7 74.6 31 31 A T E -ac 8 74A 10 -24,-2.6 -22,-2.8 -2,-0.4 2,-0.6 -0.988 13.6-153.1-114.5 128.5 25.9 23.2 77.2 32 32 A A E -ac 9 75A 0 42,-3.5 44,-2.2 -2,-0.5 2,-0.4 -0.903 13.6-162.9-102.4 118.2 28.9 25.6 77.1 33 33 A Y E +ac 10 76A 31 -24,-3.1 -22,-2.7 -2,-0.6 2,-0.3 -0.815 19.0 153.1-102.6 139.6 32.1 24.1 78.5 34 34 A D - 0 0 31 42,-1.7 6,-0.1 -2,-0.4 45,-0.0 -0.941 51.2 -95.4-154.6 175.1 35.2 26.0 79.6 35 35 A I S S- 0 0 118 -2,-0.3 2,-0.3 43,-0.1 42,-0.1 0.800 89.8 -5.9 -74.3 -34.1 38.0 25.5 82.1 36 36 A N S > S- 0 0 71 40,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.900 76.8 -87.4-151.0 178.9 36.9 27.5 85.2 37 37 A T H > S+ 0 0 82 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.827 122.2 55.0 -64.9 -33.2 34.3 29.9 86.6 38 38 A D H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 108.3 48.3 -65.8 -40.8 36.1 33.0 85.4 39 39 A A H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.906 111.6 51.0 -62.8 -40.6 36.1 31.6 81.8 40 40 A L H X S+ 0 0 18 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.839 106.6 54.1 -67.0 -34.4 32.4 30.8 82.2 41 41 A D H X S+ 0 0 92 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.922 110.3 46.5 -61.4 -45.6 31.8 34.4 83.4 42 42 A A H X S+ 0 0 38 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.902 109.2 55.2 -64.0 -41.2 33.5 35.7 80.3 43 43 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.923 105.1 53.2 -55.4 -44.8 31.5 33.2 78.2 44 44 A K H X S+ 0 0 105 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.866 107.0 51.9 -62.1 -36.7 28.3 34.7 79.7 45 45 A K H X S+ 0 0 142 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.904 109.0 50.3 -63.7 -42.8 29.4 38.2 78.7 46 46 A R H X S+ 0 0 100 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.894 109.9 50.5 -63.0 -40.2 30.0 37.0 75.1 47 47 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.915 108.8 51.0 -65.0 -43.0 26.5 35.4 75.0 48 48 A E H X S+ 0 0 88 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.904 111.8 48.3 -60.9 -41.3 24.9 38.6 76.2 49 49 A G H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.921 111.8 49.2 -62.1 -44.2 26.7 40.5 73.5 50 50 A L H X S+ 0 0 17 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.876 106.6 55.4 -64.0 -39.8 25.6 37.9 70.9 51 51 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.921 109.1 48.9 -58.2 -42.2 22.0 38.1 72.0 52 52 A A H X S+ 0 0 38 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.929 111.0 48.8 -63.5 -46.1 22.2 41.9 71.4 53 53 A V H X S+ 0 0 50 -4,-2.2 4,-2.6 1,-0.2 3,-0.5 0.924 112.1 49.5 -59.0 -46.4 23.7 41.5 68.0 54 54 A Y H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 7,-0.3 0.929 103.8 57.7 -59.9 -47.4 21.1 38.9 67.0 55 55 A E H < S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 118.6 33.9 -57.7 -26.3 18.1 41.0 68.1 56 56 A K H < S+ 0 0 171 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.780 133.6 24.7 -93.7 -30.8 19.4 43.7 65.7 57 57 A E H < S+ 0 0 136 -4,-2.6 2,-0.5 -5,-0.2 -3,-0.2 0.646 103.3 75.8-113.3 -20.4 20.8 41.6 62.9 58 58 A V S >< S- 0 0 30 -4,-3.2 3,-2.0 -5,-0.3 4,-0.3 -0.863 76.6-115.0-114.6 127.8 19.1 38.2 62.8 59 59 A A T 3 S+ 0 0 94 -2,-0.5 -2,-0.1 1,-0.3 -3,-0.1 -0.228 100.5 13.6 -51.3 132.2 15.6 37.2 61.6 60 60 A G T 3 S+ 0 0 62 -5,-0.1 -1,-0.3 1,-0.1 5,-0.1 0.418 97.4 102.5 84.4 -1.8 13.4 36.0 64.4 61 61 A A < > + 0 0 0 -3,-2.0 5,-1.7 -7,-0.3 6,-0.3 0.633 57.2 99.3 -89.5 -15.7 15.6 37.2 67.2 62 62 A A T > 5 + 0 0 50 -4,-0.3 3,-1.3 1,-0.2 -6,-0.1 -0.120 69.3 35.5 -67.5 165.4 13.6 40.3 68.1 63 63 A D T 3 5S- 0 0 171 1,-0.3 -1,-0.2 2,-0.1 -8,-0.0 0.864 134.7 -51.4 61.2 40.3 11.1 40.5 70.9 64 64 A G T 3>5S+ 0 0 37 -3,-0.3 4,-2.3 1,-0.1 -1,-0.3 0.332 104.7 116.6 89.0 -7.6 13.0 38.4 73.4 65 65 A A H <>5S+ 0 0 40 -3,-1.3 4,-1.6 1,-0.2 -3,-0.2 0.888 83.8 44.2 -63.1 -38.3 13.7 35.2 71.3 66 66 A A H > S+ 0 0 102 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.849 107.9 51.6 -73.7 -33.3 17.1 36.6 75.2 68 68 A K H X S+ 0 0 171 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.867 108.9 49.8 -68.5 -38.5 15.3 33.3 75.7 69 69 A A H X S+ 0 0 12 -4,-1.6 4,-0.6 2,-0.2 3,-0.4 0.914 110.0 52.7 -64.2 -41.7 18.0 31.4 73.8 70 70 A L H >< S+ 0 0 19 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.940 108.3 50.3 -55.5 -49.9 20.5 33.2 76.1 71 71 A G H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.725 104.8 57.2 -66.1 -23.5 18.6 32.1 79.2 72 72 A G H 3< S+ 0 0 60 -4,-1.2 -1,-0.2 -3,-0.4 2,-0.2 0.588 79.2 110.3 -85.4 -10.2 18.5 28.4 78.2 73 73 A I << - 0 0 10 -3,-1.2 2,-0.3 -4,-0.6 -42,-0.2 -0.452 59.1-144.0 -70.8 131.0 22.3 27.9 77.8 74 74 A R E -c 31 0A 105 -44,-2.7 -42,-3.5 -2,-0.2 2,-0.4 -0.761 8.9-149.6 -95.7 142.4 23.9 25.7 80.5 75 75 A Y E +c 32 0A 71 -2,-0.3 2,-0.3 -44,-0.2 -42,-0.2 -0.923 20.1 169.8-112.6 136.4 27.4 26.4 81.8 76 76 A S E -c 33 0A 12 -44,-2.2 -42,-1.7 -2,-0.4 -40,-0.1 -0.998 29.5-177.9-146.2 139.9 29.8 23.8 83.0 77 77 A D S S+ 0 0 67 -2,-0.3 2,-0.6 -44,-0.2 -44,-0.1 0.084 72.6 88.3-116.4 20.5 33.5 23.7 83.9 78 78 A D > - 0 0 76 1,-0.2 4,-2.8 -42,-0.1 3,-0.3 -0.915 63.0-161.7-120.2 101.5 33.3 19.9 84.6 79 79 A L H > S+ 0 0 13 -2,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.859 88.8 53.1 -53.7 -43.4 34.0 18.1 81.3 80 80 A A H 4 S+ 0 0 38 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.922 115.5 39.8 -59.3 -47.7 32.5 14.8 82.5 81 81 A Q H >4 S+ 0 0 89 -3,-0.3 3,-0.8 1,-0.2 4,-0.3 0.848 110.5 60.9 -68.7 -34.8 29.2 16.5 83.5 82 82 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.800 116.7 28.9 -65.3 -30.5 29.3 18.7 80.4 83 83 A V T >< S+ 0 0 0 -4,-1.6 3,-1.3 -3,-0.2 -1,-0.2 0.256 84.6 114.0-114.1 12.4 29.2 15.8 78.0 84 84 A K T < S+ 0 0 122 -3,-0.8 -1,-0.1 -4,-0.3 -2,-0.1 0.796 96.7 15.7 -60.0 -34.1 27.3 13.2 80.0 85 85 A D T 3 S+ 0 0 88 -4,-0.3 -1,-0.3 -3,-0.2 -79,-0.2 0.030 93.6 146.2-126.2 26.0 24.2 13.2 77.8 86 86 A A < - 0 0 1 -3,-1.3 -79,-0.2 1,-0.2 3,-0.1 -0.449 30.4-176.8 -72.2 131.3 25.7 14.9 74.7 87 87 A D S S+ 0 0 24 -81,-2.2 29,-2.3 1,-0.3 2,-0.4 0.763 81.9 21.0 -87.2 -34.3 24.6 13.8 71.2 88 88 A L E -bd 7 116A 0 -82,-1.9 -80,-2.8 27,-0.2 2,-0.5 -0.998 63.7-164.8-139.1 131.7 27.1 16.2 69.7 89 89 A V E -bd 8 117A 0 27,-3.0 29,-2.5 -2,-0.4 2,-0.6 -0.975 7.1-162.8-115.1 122.5 30.3 17.8 71.0 90 90 A I E -bd 9 118A 0 -82,-2.9 -80,-2.9 -2,-0.5 2,-0.6 -0.925 11.7-149.4-105.6 116.4 31.7 20.7 69.0 91 91 A E E +bd 10 119A 0 27,-3.4 29,-2.4 -2,-0.6 30,-0.2 -0.770 31.0 156.7 -91.5 116.0 35.4 21.3 69.9 92 92 A A + 0 0 19 -82,-2.7 -79,-0.4 -2,-0.6 -76,-0.3 -0.304 24.9 139.5-131.1 47.1 36.5 25.0 69.7 93 93 A V - 0 0 18 1,-0.2 27,-0.1 -82,-0.1 7,-0.1 -0.377 65.5 -59.7 -83.3 169.4 39.5 25.1 72.0 94 94 A P - 0 0 83 0, 0.0 2,-3.2 0, 0.0 -1,-0.2 -0.068 58.0-100.7 -51.6 150.6 42.7 27.0 71.2 95 95 A E S S+ 0 0 81 -3,-0.1 2,-0.5 4,-0.1 -3,-0.0 -0.298 78.7 130.9 -76.1 62.8 44.5 26.0 68.1 96 96 A S > - 0 0 50 -2,-3.2 4,-3.1 1,-0.1 5,-0.3 -0.971 52.3-150.2-122.0 120.4 47.1 24.0 70.1 97 97 A L H > S+ 0 0 73 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.904 100.2 41.1 -53.6 -49.3 48.0 20.4 69.1 98 98 A D H > S+ 0 0 93 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.860 114.6 52.0 -70.9 -35.8 48.8 19.3 72.6 99 99 A L H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.914 115.2 41.3 -67.1 -42.4 45.8 21.2 74.1 100 100 A K H X S+ 0 0 2 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.856 113.1 55.6 -70.6 -34.8 43.5 19.5 71.6 101 101 A R H X S+ 0 0 95 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.928 107.9 48.4 -60.8 -46.4 45.3 16.2 72.1 102 102 A D H X S+ 0 0 69 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.924 111.8 50.5 -59.3 -47.0 44.7 16.4 75.9 103 103 A I H X S+ 0 0 19 -4,-1.8 4,-3.9 1,-0.2 5,-0.2 0.937 110.3 45.7 -59.9 -53.7 41.0 17.2 75.3 104 104 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.806 108.1 59.3 -65.1 -28.8 40.1 14.4 72.9 105 105 A T H X S+ 0 0 60 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.986 116.9 32.2 -58.1 -56.8 42.0 11.9 75.2 106 106 A K H >X S+ 0 0 98 -4,-1.9 4,-2.8 1,-0.2 3,-1.0 0.942 117.4 55.9 -64.1 -50.5 39.7 12.8 78.0 107 107 A L H 3X S+ 0 0 0 -4,-3.9 4,-2.5 1,-0.3 -3,-0.2 0.894 102.6 55.7 -53.2 -46.4 36.6 13.5 75.9 108 108 A G H 3< S+ 0 0 20 -4,-2.3 -1,-0.3 24,-0.3 -2,-0.2 0.839 115.0 40.0 -56.1 -33.8 36.8 10.0 74.3 109 109 A E H << S+ 0 0 152 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.904 119.0 43.0 -80.4 -45.0 36.7 8.4 77.7 110 110 A L H < S+ 0 0 75 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.733 97.2 84.7 -79.3 -24.3 34.1 10.7 79.4 111 111 A A S < S- 0 0 6 -4,-2.5 -27,-0.1 -5,-0.3 -26,-0.1 -0.594 85.9-107.1 -86.7 139.1 31.6 11.0 76.6 112 112 A P > - 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0 0 75 -2,-0.3 4,-2.3 -3,-0.1 3,-0.3 -0.399 41.4-102.7 -84.0 163.9 49.5 49.7 44.6 215 215 A P H > S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 18,-0.3 0.896 119.5 52.4 -51.1 -47.2 46.6 48.2 46.7 216 216 A E H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 111.2 46.4 -59.7 -42.8 44.0 50.5 45.1 217 217 A T H > S+ 0 0 52 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 113.4 48.9 -66.5 -43.6 44.9 49.5 41.6 218 218 A I H X S+ 0 0 13 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.921 113.2 47.8 -62.7 -45.3 45.0 45.8 42.5 219 219 A D H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.924 110.7 48.3 -63.8 -47.9 41.6 46.0 44.2 220 220 A K H X S+ 0 0 110 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.871 108.5 56.8 -64.2 -32.7 39.8 47.9 41.4 221 221 A T H X S+ 0 0 89 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.909 109.9 44.6 -61.0 -42.3 41.2 45.5 38.9 222 222 A W H X S+ 0 0 94 -4,-1.6 4,-2.1 2,-0.2 6,-0.8 0.913 114.1 48.3 -70.4 -42.6 39.6 42.6 40.8 223 223 A R H X S+ 0 0 87 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.933 119.4 38.5 -64.0 -44.3 36.3 44.3 41.3 224 224 A I H < S+ 0 0 145 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.894 117.7 49.7 -72.9 -40.5 36.0 45.3 37.6 225 225 A G H < S+ 0 0 64 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.821 130.0 16.5 -70.1 -31.9 37.5 42.1 36.3 226 226 A T H < S- 0 0 76 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.458 97.0-118.7-120.3 -5.9 35.3 39.7 38.3 227 227 A G < + 0 0 62 -4,-1.6 -4,-0.2 -5,-0.3 -3,-0.2 0.574 58.5 158.3 74.4 7.8 32.4 41.9 39.5 228 228 A A - 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0 0 15 -4,-2.5 4,-2.4 -5,-0.2 33,-0.2 0.293 8.7-117.9 100.4 126.5 42.5 41.9 60.1 241 241 A L H > S+ 0 0 0 31,-3.0 4,-2.8 1,-0.2 5,-0.2 0.810 112.4 58.6 -71.7 -28.5 46.2 42.7 59.4 242 242 A T H > S+ 0 0 59 30,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.957 110.9 44.0 -60.4 -48.0 47.4 41.2 62.6 243 243 A T H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 113.0 50.1 -61.2 -47.9 45.9 37.9 61.5 244 244 A A H X S+ 0 0 4 -4,-2.4 4,-2.6 -8,-0.2 5,-0.2 0.899 110.6 52.1 -59.4 -41.3 47.2 38.3 57.9 245 245 A Y H X S+ 0 0 64 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.965 109.6 47.5 -57.3 -55.2 50.7 39.0 59.4 246 246 A N H X S+ 0 0 87 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.937 115.4 45.2 -53.1 -51.1 50.7 35.9 61.6 247 247 A I H >< S+ 0 0 94 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.901 114.8 46.9 -61.5 -44.8 49.6 33.6 58.7 248 248 A S H >< S+ 0 0 8 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.812 102.7 64.4 -68.4 -30.6 52.0 35.1 56.1 249 249 A S H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 106.0 43.9 -68.6 -23.9 54.9 34.9 58.5 250 250 A V T << S+ 0 0 121 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 -0.010 106.0 81.2-107.8 28.6 54.7 31.1 58.6 251 251 A S S < S- 0 0 45 -3,-1.6 -3,-0.1 1,-0.3 5,-0.1 -0.343 91.2 -44.6-114.8-164.3 54.2 30.8 54.8 252 252 A G > - 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