==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-NOV-08 3F9I . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RICKETTSIA PROWAZEKII; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 449 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 15.1 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 . 1 0.2 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 . 40 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 0 0 0 2 3 1 2 4 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 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 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 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 59 0, 0.0 2,-0.8 0, 0.0 204,-0.1 0.000 360.0 360.0 360.0 -59.7 7.6 -8.9 27.7 2 2 A I + 0 0 12 201,-0.1 2,-0.5 202,-0.1 198,-0.1 -0.689 360.0 169.5 -90.8 109.6 9.7 -5.9 26.6 3 3 A D + 0 0 92 -2,-0.8 201,-0.4 1,-0.1 27,-0.2 -0.965 16.4 176.0-121.1 123.6 13.0 -5.7 28.4 4 4 A L > + 0 0 1 25,-3.0 3,-2.1 -2,-0.5 28,-0.2 0.206 31.0 145.4-110.0 18.2 15.6 -3.3 27.3 5 5 A T T 3 + 0 0 93 24,-0.4 26,-0.2 1,-0.3 25,-0.1 -0.292 68.0 19.9 -59.9 129.8 18.0 -4.1 30.1 6 6 A G T 3 S+ 0 0 62 24,-0.9 -1,-0.3 1,-0.3 2,-0.2 0.123 101.1 117.1 98.5 -15.1 21.6 -3.9 29.1 7 7 A K < - 0 0 35 -3,-2.1 25,-3.2 23,-0.1 2,-0.5 -0.457 54.0-146.0 -90.3 155.1 20.9 -1.8 26.0 8 8 A T E -a 32 0A 13 23,-0.2 70,-2.9 -2,-0.2 71,-1.9 -0.983 19.6-172.2-116.0 125.3 22.0 1.7 25.0 9 9 A S E -ab 33 79A 0 23,-2.7 25,-2.9 -2,-0.5 2,-0.4 -0.911 12.5-153.5-113.3 145.5 19.6 3.7 23.0 10 10 A L E -ab 34 80A 0 69,-2.8 71,-3.3 -2,-0.4 2,-0.5 -0.982 11.1-169.3-116.5 125.2 20.1 7.1 21.3 11 11 A I E > -ab 35 81A 0 23,-2.7 25,-2.8 -2,-0.4 3,-0.5 -0.980 7.3-154.4-116.4 120.3 17.1 9.3 20.8 12 12 A T T 3 S+ 0 0 0 69,-2.9 71,-0.3 -2,-0.5 25,-0.2 -0.540 81.6 25.4 -88.3 162.6 17.4 12.4 18.6 13 13 A G T > S+ 0 0 24 -2,-0.2 3,-1.6 1,-0.1 6,-0.4 0.836 79.9 164.9 49.3 41.2 15.1 15.4 19.1 14 14 A A T < + 0 0 0 22,-2.9 9,-0.2 -3,-0.5 23,-0.1 0.581 60.2 61.6 -70.2 -13.1 14.8 14.1 22.7 15 15 A S T 3 S+ 0 0 41 21,-0.3 -1,-0.3 4,-0.1 22,-0.1 0.574 80.3 97.2 -92.1 -4.4 13.2 17.2 24.1 16 16 A S S <> S- 0 0 50 -3,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.258 93.2-106.9 -66.8 165.3 10.0 17.2 22.0 17 17 A G H > S+ 0 0 45 2,-0.2 4,-1.3 3,-0.2 -1,-0.1 0.848 123.2 43.7 -66.5 -32.7 7.1 15.6 23.7 18 18 A I H > S+ 0 0 16 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.948 113.9 50.0 -72.6 -51.0 7.4 12.5 21.5 19 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.916 114.7 44.4 -49.8 -49.2 11.2 12.4 21.9 20 20 A S H X S+ 0 0 18 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.816 110.4 53.1 -73.6 -29.2 10.9 12.7 25.7 21 21 A A H X S+ 0 0 8 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.916 111.9 47.1 -69.4 -39.9 8.1 10.2 26.0 22 22 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.957 111.2 51.7 -61.3 -49.9 10.3 7.7 24.0 23 23 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.909 112.0 45.5 -57.9 -44.5 13.3 8.5 26.2 24 24 A R H X S+ 0 0 122 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.894 113.8 48.6 -65.4 -39.2 11.5 7.9 29.4 25 25 A L H X S+ 0 0 25 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.960 112.8 45.5 -70.0 -48.2 9.9 4.7 28.2 26 26 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 -1,-0.2 0.866 116.2 48.6 -62.3 -34.2 13.1 3.2 26.9 27 27 A H H ><5S+ 0 0 42 -4,-2.0 3,-2.3 -5,-0.3 -2,-0.2 0.956 109.5 50.8 -70.8 -45.2 14.8 4.2 30.1 28 28 A K H 3<5S+ 0 0 151 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 105.8 57.7 -60.2 -27.9 12.0 2.8 32.2 29 29 A L T 3<5S- 0 0 21 -4,-1.8 -25,-3.0 -5,-0.1 -24,-0.4 0.304 130.8 -92.9 -85.9 7.4 12.4 -0.5 30.3 30 30 A G T < 5S+ 0 0 32 -3,-2.3 -24,-0.9 1,-0.3 2,-0.2 0.430 79.5 138.5 99.8 1.1 16.1 -0.7 31.3 31 31 A S < - 0 0 2 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.549 54.1-129.7 -79.7 142.4 17.8 1.0 28.4 32 32 A K E -a 8 0A 101 -25,-3.2 -23,-2.7 -28,-0.2 2,-0.4 -0.736 38.1-146.2 -74.7 140.0 20.7 3.4 29.1 33 33 A V E -ac 9 54A 2 20,-1.9 22,-2.0 -2,-0.4 2,-0.7 -0.946 22.6-158.6-125.0 135.7 19.6 6.5 27.0 34 34 A I E -ac 10 55A 17 -25,-2.9 -23,-2.7 -2,-0.4 2,-0.7 -0.954 20.1-160.3-106.9 112.9 21.6 9.1 25.1 35 35 A I E -ac 11 56A 0 20,-2.6 22,-2.1 -2,-0.7 2,-0.3 -0.879 14.5-176.7-103.2 118.2 19.2 12.0 24.8 36 36 A S E + c 0 57A 0 -25,-2.8 -22,-2.9 -2,-0.7 -21,-0.3 -0.849 19.0 108.6-121.0 153.0 20.3 14.2 22.1 37 37 A G E - c 0 58A 6 20,-2.0 22,-2.9 -2,-0.3 23,-0.1 -0.951 65.9 -89.9 163.0-179.9 19.0 17.6 20.7 38 38 A S S S+ 0 0 88 -2,-0.3 2,-1.0 20,-0.2 3,-0.1 0.657 98.2 79.0 -95.6 -16.3 19.7 21.3 20.4 39 39 A N > + 0 0 53 1,-0.2 4,-2.6 20,-0.1 5,-0.2 -0.751 53.1 179.7 -99.2 90.8 18.1 22.6 23.6 40 40 A E H > S+ 0 0 93 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.910 80.6 55.5 -54.6 -46.7 20.5 21.8 26.4 41 41 A E H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 112.0 41.7 -57.2 -46.0 18.3 23.4 29.0 42 42 A K H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 112.4 54.2 -71.0 -38.1 15.3 21.1 28.1 43 43 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.899 107.4 52.2 -59.4 -38.9 17.5 18.1 27.7 44 44 A K H X S+ 0 0 104 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.884 107.3 50.3 -69.4 -37.3 18.8 18.7 31.3 45 45 A S H X S+ 0 0 62 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.881 112.4 48.4 -70.4 -35.3 15.3 18.9 32.7 46 46 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.951 110.2 53.0 -58.8 -50.6 14.6 15.6 30.9 47 47 A G H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.892 104.8 53.9 -48.9 -49.0 17.9 14.3 32.4 48 48 A N H < S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.888 108.4 49.5 -56.3 -44.1 16.8 15.3 35.9 49 49 A A H < S+ 0 0 49 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.839 111.1 49.8 -61.8 -36.1 13.6 13.3 35.5 50 50 A L H < S- 0 0 8 -4,-2.0 2,-1.7 1,-0.1 -2,-0.2 0.807 87.3-169.4 -72.3 -33.0 15.6 10.3 34.3 51 51 A K < + 0 0 176 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.1 -0.321 57.3 3.0 76.4 -50.0 18.0 10.6 37.3 52 52 A D S S+ 0 0 112 -2,-1.7 3,-0.1 1,-0.1 0, 0.0 -0.924 102.5 54.2-153.1 175.1 20.7 8.2 36.1 53 53 A N S S+ 0 0 79 -2,-0.3 -20,-1.9 1,-0.2 2,-0.3 0.923 87.9 96.8 57.7 47.2 21.7 5.9 33.2 54 54 A Y E -c 33 0A 64 -22,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.965 53.2-156.7-149.9 165.8 21.5 8.7 30.5 55 55 A T E -c 34 0A 75 -22,-2.0 -20,-2.6 -2,-0.3 2,-0.4 -0.981 16.1-133.5-146.2 141.1 23.8 11.0 28.8 56 56 A I E -c 35 0A 41 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.760 15.3-171.6 -93.0 137.0 23.1 14.3 27.1 57 57 A E E -c 36 0A 33 -22,-2.1 -20,-2.0 -2,-0.4 2,-0.5 -0.931 13.5-151.3-130.4 109.0 24.4 15.2 23.6 58 58 A V E +c 37 0A 64 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.712 35.5 160.0 -84.1 121.6 23.8 18.7 22.6 59 59 A C - 0 0 4 -22,-2.9 2,-0.7 -2,-0.5 3,-0.1 -0.997 42.4-146.3-154.4 133.9 23.6 18.5 18.9 60 60 A N > - 0 0 74 -2,-0.3 3,-1.6 1,-0.2 6,-0.2 -0.898 11.0-167.6-104.0 107.4 22.3 20.4 15.9 61 61 A L T 3 S+ 0 0 31 -2,-0.7 6,-0.3 1,-0.3 -1,-0.2 0.900 80.1 78.0 -64.0 -35.5 21.1 18.0 13.3 62 62 A A T 3 S+ 0 0 64 -3,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.766 84.9 75.3 -40.8 -31.1 20.9 20.7 10.7 63 63 A N S <> S- 0 0 71 -3,-1.6 4,-1.7 1,-0.1 3,-0.4 -0.795 75.4-152.2 -88.4 120.5 24.7 20.4 10.5 64 64 A K H > S+ 0 0 60 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.888 94.6 51.1 -59.5 -44.2 25.8 17.3 8.6 65 65 A E H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.822 106.9 55.7 -63.4 -31.1 29.2 16.8 10.4 66 66 A E H > S+ 0 0 63 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.880 107.0 48.6 -73.1 -37.4 27.3 17.1 13.7 67 67 A C H X S+ 0 0 0 -4,-1.7 4,-1.1 -6,-0.3 -2,-0.2 0.927 113.9 47.7 -58.0 -47.6 25.0 14.2 12.7 68 68 A S H X S+ 0 0 37 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.886 115.3 45.1 -63.9 -37.3 28.1 12.2 11.7 69 69 A N H X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.828 99.2 70.1 -74.3 -33.7 29.8 13.1 14.9 70 70 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.901 101.8 44.4 -54.1 -47.9 26.9 12.4 17.2 71 71 A I H >< S+ 0 0 1 -4,-1.1 3,-2.0 1,-0.2 -1,-0.2 0.899 109.5 53.8 -68.0 -46.4 27.1 8.6 16.6 72 72 A S H 3< S+ 0 0 68 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.926 96.9 66.9 -52.5 -50.0 30.9 8.3 17.0 73 73 A K T 3< S+ 0 0 106 -4,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.566 95.3 75.5 -41.9 -11.1 30.6 10.0 20.4 74 74 A T < - 0 0 4 -3,-2.0 3,-0.1 1,-0.2 -64,-0.0 -0.939 55.8-177.7-118.4 134.2 28.8 6.8 21.4 75 75 A S S S+ 0 0 105 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.918 76.8 40.1 -95.5 -56.9 30.5 3.4 22.1 76 76 A N + 0 0 97 -67,-0.0 -1,-0.2 -69,-0.0 2,-0.2 -0.788 67.3 162.8 -87.5 137.7 27.6 1.2 22.8 77 77 A L + 0 0 13 -2,-0.4 -68,-0.2 -3,-0.1 3,-0.1 -0.719 12.7 151.7-154.9 104.7 24.6 1.7 20.5 78 78 A D S S+ 0 0 30 -70,-2.9 39,-2.2 1,-0.3 2,-0.4 0.757 72.2 35.0 -97.3 -30.1 21.9 -0.9 20.2 79 79 A I E -bd 9 117A 0 -71,-1.9 -69,-2.8 37,-0.2 2,-0.5 -0.981 59.2-170.0-134.9 124.6 19.0 1.3 19.4 80 80 A L E -bd 10 118A 0 37,-3.2 39,-2.9 -2,-0.4 2,-0.5 -0.975 3.3-171.0-111.4 130.5 18.7 4.5 17.4 81 81 A V E -bd 11 119A 0 -71,-3.3 -69,-2.9 -2,-0.5 2,-0.9 -0.959 5.0-164.0-122.3 111.3 15.6 6.5 17.4 82 82 A C E - d 0 120A 0 37,-2.6 39,-3.2 -2,-0.5 2,-0.2 -0.835 8.7-167.2 -95.2 101.0 15.5 9.4 14.9 83 83 A N - 0 0 5 -2,-0.9 2,-0.5 -71,-0.3 39,-0.1 -0.525 32.0 -80.4 -77.4 152.0 12.8 11.8 15.7 84 84 A A 0 0 27 -2,-0.2 -65,-0.1 38,-0.2 40,-0.1 -0.758 360.0 360.0 -67.3 131.2 11.6 14.4 13.2 85 85 A G 0 0 59 -2,-0.5 10,-0.2 6,-0.1 -1,-0.1 -0.005 360.0 360.0 102.4 360.0 13.0 17.1 12.6 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 99 A D > 0 0 87 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 110.9 11.7 26.0 2.5 88 100 A F H > + 0 0 108 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.959 360.0 56.1 -50.7 -51.8 11.1 22.7 0.9 89 101 A D H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.777 102.2 54.2 -56.2 -34.5 14.9 22.3 1.2 90 102 A K H > S+ 0 0 140 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 110.2 43.7 -69.6 -45.9 14.9 22.9 4.9 91 103 A V H X S+ 0 0 12 -4,-1.4 4,-2.9 -3,-0.3 5,-0.4 0.912 116.1 48.3 -67.0 -42.4 12.3 20.2 5.8 92 104 A I H X>S+ 0 0 25 -4,-2.2 5,-2.0 1,-0.2 4,-1.8 0.943 113.2 48.1 -62.5 -46.0 14.0 17.7 3.4 93 105 A D H <>S+ 0 0 65 -4,-2.4 5,-1.6 -5,-0.2 -2,-0.2 0.882 121.6 35.1 -66.3 -36.6 17.4 18.5 4.9 94 106 A I H <5S+ 0 0 40 -4,-2.4 5,-0.5 3,-0.2 4,-0.2 0.972 125.2 37.3 -81.6 -52.9 16.2 18.1 8.5 95 107 A N H <5S+ 0 0 5 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.598 135.7 14.2 -76.4 -12.7 13.7 15.3 8.2 96 108 A L T X5S+ 0 0 40 -4,-1.8 4,-2.2 -5,-0.4 -3,-0.2 0.672 123.1 46.2-132.0 -50.8 15.5 13.2 5.6 97 109 A K H > S+ 0 0 1 -5,-0.5 4,-3.0 1,-0.2 5,-0.2 0.886 103.7 56.9 -63.2 -40.8 18.3 11.0 9.2 100 112 A F H X S+ 0 0 88 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.931 110.5 45.7 -48.4 -51.3 20.3 9.3 6.4 101 113 A I H X S+ 0 0 20 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.938 113.1 48.2 -65.3 -46.8 23.5 10.2 8.1 102 114 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 116.1 44.7 -57.3 -45.6 22.4 9.2 11.5 103 115 A N H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.934 114.8 46.9 -66.0 -50.2 21.1 5.8 10.1 104 116 A R H X S+ 0 0 88 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.938 115.0 46.2 -58.4 -48.2 24.2 5.2 8.0 105 117 A E H X S+ 0 0 30 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.894 112.7 49.9 -64.7 -37.3 26.6 6.0 10.8 106 118 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.3 -1,-0.2 0.916 108.1 54.4 -68.8 -39.6 24.6 3.9 13.3 107 119 A I H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.898 103.1 55.7 -58.2 -44.9 24.7 1.0 10.8 108 120 A K H X S+ 0 0 108 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.884 113.7 41.8 -55.3 -41.0 28.5 1.1 10.6 109 121 A K H >X S+ 0 0 61 -4,-1.4 3,-0.8 1,-0.2 4,-0.6 0.939 115.0 49.1 -71.5 -45.7 28.5 0.7 14.4 110 122 A M H 3X>S+ 0 0 2 -4,-3.2 5,-1.6 1,-0.2 4,-0.7 0.751 99.4 66.1 -69.1 -27.0 25.8 -1.9 14.6 111 123 A I H ><5S+ 0 0 43 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.872 94.8 60.4 -56.8 -37.6 27.4 -4.1 11.8 112 124 A Q H <<5S+ 0 0 145 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.827 113.5 35.1 -65.9 -32.0 30.3 -4.7 14.2 113 125 A K H 3<5S- 0 0 132 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.473 100.9-130.6 -94.8 -4.5 28.0 -6.3 16.8 114 126 A R T <<5S+ 0 0 150 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.882 79.6 92.6 49.2 39.6 25.6 -8.0 14.3 115 127 A Y < + 0 0 43 -5,-1.6 -2,-0.3 2,-0.0 43,-0.3 -0.977 44.5 118.3-155.1 146.3 22.8 -6.4 16.3 116 128 A G E - 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