==== 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 OXIDOREDUCTASE 19-OCT-99 1D7O . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRE . SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA NAPUS; . AUTHOR A.ROUJEINIKOVA,C.LEVY,S.ROWSELL,S.SEDELNIKOVA,P.J.BAKER,C.A. . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 1 0.3 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 . 25 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 1 0 0 0 0 1 3 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 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 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 G 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.2 27.2 23.2 64.1 2 12 A L + 0 0 133 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.688 360.0 170.8-129.4 77.7 24.8 20.7 62.5 3 13 A P - 0 0 82 0, 0.0 2,-1.4 0, 0.0 30,-0.0 -0.668 42.9-123.8 -94.1 146.4 24.3 21.7 58.9 4 14 A I - 0 0 58 -2,-0.3 2,-0.7 265,-0.0 261,-0.0 -0.793 43.2-164.5 -82.3 93.8 22.6 19.7 56.2 5 15 A D + 0 0 61 -2,-1.4 29,-0.2 1,-0.1 28,-0.1 -0.794 33.1 154.8 -97.6 109.6 25.7 19.8 54.1 6 16 A L > + 0 0 1 27,-2.7 3,-2.2 -2,-0.7 30,-0.2 0.103 27.0 142.3-115.5 16.5 25.3 18.8 50.4 7 17 A R T 3 S+ 0 0 181 26,-0.4 28,-0.2 1,-0.3 3,-0.1 -0.370 72.4 19.7 -62.3 133.4 28.3 20.8 49.1 8 18 A G T 3 S+ 0 0 80 26,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.488 103.2 116.2 84.1 0.2 30.1 18.9 46.4 9 19 A K < - 0 0 75 -3,-2.2 27,-2.5 25,-0.2 2,-0.4 -0.772 53.6-148.5-102.9 154.8 26.9 16.9 45.7 10 20 A R E -a 36 0A 48 -2,-0.3 111,-3.3 25,-0.2 112,-2.4 -0.965 10.4-164.9-125.1 135.8 24.9 17.0 42.5 11 21 A A E -ab 37 122A 0 25,-2.7 27,-2.4 -2,-0.4 2,-0.6 -0.945 12.1-154.2-122.1 138.4 21.1 16.5 42.3 12 22 A F E -ab 38 123A 0 110,-3.0 112,-2.5 -2,-0.4 2,-0.7 -0.952 15.7-161.2-110.3 118.1 18.9 15.7 39.3 13 23 A I E -ab 39 124A 0 25,-3.5 27,-2.7 -2,-0.6 2,-0.6 -0.866 1.5-161.4-104.5 108.4 15.4 17.0 40.0 14 24 A A E +ab 40 125A 0 110,-3.0 112,-2.7 -2,-0.7 27,-0.1 -0.750 68.2 35.9 -90.0 122.9 12.7 15.4 37.7 15 25 A G + 0 0 27 25,-2.1 2,-0.5 -2,-0.6 8,-0.3 0.765 66.2 136.8 111.8 31.6 9.5 17.4 37.5 16 26 A I + 0 0 3 24,-1.5 -1,-0.2 -3,-0.4 26,-0.1 -0.942 4.0 145.6-109.2 123.4 10.1 21.1 37.6 17 27 A A S S- 0 0 34 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.396 73.4 -3.6-131.3 -6.2 8.0 23.2 35.2 18 28 A D S S- 0 0 66 34,-0.0 3,-0.4 40,-0.0 -1,-0.3 -0.933 77.4 -94.8-168.6-178.1 7.4 26.3 37.3 19 29 A D S S+ 0 0 36 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 0.251 101.5 78.2 -98.0 10.8 8.1 27.7 40.7 20 30 A N S S+ 0 0 122 4,-0.0 -1,-0.2 236,-0.0 2,-0.1 0.470 80.1 70.6 -98.7 -3.9 4.7 26.7 42.3 21 31 A G S > S- 0 0 28 -3,-0.4 4,-1.1 1,-0.1 -5,-0.0 -0.343 91.9 -96.5-103.3-171.1 5.1 23.0 43.0 22 32 A Y H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.824 115.8 66.2 -74.2 -30.0 7.0 20.8 45.4 23 33 A G H > S+ 0 0 2 -8,-0.3 4,-2.3 103,-0.2 -1,-0.2 0.925 101.4 47.5 -56.1 -46.9 9.7 20.2 42.8 24 34 A W H > S+ 0 0 10 -6,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 112.0 51.4 -59.6 -45.0 10.8 23.8 42.9 25 35 A A H X S+ 0 0 8 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.881 108.2 49.3 -63.0 -39.5 10.8 23.8 46.7 26 36 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.943 111.3 51.2 -65.9 -42.9 13.0 20.7 47.0 27 37 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.924 109.1 50.6 -59.1 -44.7 15.4 22.3 44.5 28 38 A K H X S+ 0 0 62 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.935 111.7 48.3 -58.8 -44.6 15.5 25.4 46.6 29 39 A S H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 112.8 45.9 -63.2 -45.2 16.2 23.4 49.7 30 40 A L H <>S+ 0 0 1 -4,-3.0 5,-2.6 2,-0.2 4,-0.4 0.876 112.4 52.2 -65.9 -35.6 19.0 21.3 48.1 31 41 A A H ><5S+ 0 0 17 -4,-2.7 3,-1.1 -5,-0.3 -2,-0.2 0.909 107.8 51.5 -68.4 -37.3 20.5 24.5 46.7 32 42 A A H 3<5S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.904 107.3 53.3 -65.6 -34.9 20.4 26.1 50.1 33 43 A A T 3<5S- 0 0 18 -4,-2.1 -27,-2.7 -5,-0.2 -26,-0.4 0.563 128.6 -98.4 -74.7 -6.9 22.3 23.0 51.5 34 44 A G T < 5S+ 0 0 29 -3,-1.1 -26,-0.7 -4,-0.4 -25,-0.2 0.477 71.2 146.3 107.0 2.5 24.9 23.4 48.8 35 45 A A < - 0 0 10 -5,-2.6 2,-0.5 -28,-0.2 -1,-0.3 -0.371 51.2-118.5 -75.6 154.1 24.0 21.0 46.0 36 46 A E E -a 10 0A 54 -27,-2.5 -25,-2.7 -30,-0.2 2,-0.5 -0.774 36.7-136.8 -88.0 126.1 24.5 21.6 42.3 37 47 A I E +ac 11 72A 2 34,-0.5 36,-2.0 -2,-0.5 37,-1.0 -0.820 26.5 176.6-102.2 121.8 21.1 21.6 40.7 38 48 A L E -ac 12 74A 0 -27,-2.4 -25,-3.5 -2,-0.5 2,-0.4 -0.939 19.0-151.8-113.9 137.9 20.2 19.8 37.4 39 49 A V E -ac 13 75A 0 35,-2.9 37,-4.1 -2,-0.4 2,-0.6 -0.911 14.1-153.8-122.1 142.4 16.6 19.9 36.3 40 50 A G E -ac 14 76A 1 -27,-2.7 -25,-2.1 -2,-0.4 -24,-1.5 -0.948 21.7-169.9-107.0 113.4 14.4 17.6 34.2 41 51 A T E - c 0 77A 0 35,-2.8 37,-2.2 -2,-0.6 5,-0.1 -0.926 28.9-109.6-112.7 133.2 11.5 19.6 32.5 42 52 A W E >> - c 0 78A 112 -2,-0.4 3,-2.4 35,-0.2 4,-1.1 -0.398 32.9-120.9 -60.6 128.4 8.6 18.0 30.8 43 53 A V H >> S+ 0 0 3 35,-1.3 3,-1.2 1,-0.3 4,-0.5 0.818 108.2 51.7 -38.5 -56.9 9.0 18.6 27.1 44 54 A P H 34 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.710 116.2 44.1 -59.7 -18.4 5.7 20.5 26.4 45 55 A A H <> S+ 0 0 17 -3,-2.4 4,-2.0 1,-0.1 -2,-0.2 0.593 86.4 95.5-101.2 -11.3 6.6 22.8 29.3 46 56 A L H S+ 0 0 99 -4,-0.3 4,-2.5 2,-0.2 5,-0.3 0.875 115.9 54.2 -62.8 -34.9 7.8 28.7 28.9 49 59 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.983 111.1 41.3 -63.2 -58.2 9.9 27.4 31.7 50 60 A E H X S+ 0 0 83 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.888 117.6 50.5 -57.3 -38.8 13.3 28.3 30.3 51 61 A T H X S+ 0 0 63 -4,-2.3 4,-2.4 -5,-0.3 6,-0.2 0.894 111.4 44.7 -66.9 -44.0 11.9 31.6 29.0 52 62 A S H <>S+ 0 0 7 -4,-2.5 5,-2.8 2,-0.2 6,-0.6 0.900 113.3 52.3 -67.1 -40.3 10.4 32.8 32.3 53 63 A L H ><5S+ 0 0 33 -4,-2.6 3,-1.2 -5,-0.3 -2,-0.2 0.966 112.2 46.7 -59.3 -49.0 13.5 31.7 34.0 54 64 A R H 3<5S+ 0 0 232 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.850 107.6 53.8 -60.4 -42.2 15.5 33.8 31.5 55 65 A R T 3<5S- 0 0 188 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.419 119.1-110.1 -72.8 -1.3 13.3 36.9 31.8 56 66 A G T X 5S+ 0 0 24 -3,-1.2 3,-1.4 -4,-0.4 4,-0.3 0.688 73.7 143.1 78.3 20.6 13.8 36.8 35.5 57 67 A K T 3 S+ 0 0 17 -6,-0.6 4,-0.8 -5,-0.2 3,-0.4 0.297 80.3 112.0-100.9 10.6 11.2 33.4 38.9 59 69 A D T X4 S+ 0 0 58 -3,-1.4 3,-1.0 1,-0.2 4,-0.4 0.870 76.3 49.8 -52.6 -42.7 13.7 35.6 40.6 60 70 A Q G >4 S+ 0 0 172 -4,-0.3 3,-1.0 -3,-0.3 -1,-0.2 0.892 111.4 52.4 -64.3 -33.4 11.8 36.3 43.7 61 71 A S G 34 S+ 0 0 32 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.589 102.8 60.1 -73.7 -13.7 11.2 32.5 44.0 62 72 A R G << S+ 0 0 52 -3,-1.0 8,-3.1 -4,-0.8 2,-0.3 0.473 73.7 120.1 -92.4 -6.0 15.0 31.9 43.7 63 73 A V B < -G 69 0B 52 -3,-1.0 6,-0.2 -4,-0.4 5,-0.1 -0.480 50.3-155.3 -67.4 122.4 16.0 33.8 46.7 64 74 A L > - 0 0 14 4,-4.0 3,-2.8 -2,-0.3 -2,-0.1 -0.534 32.1-106.7 -91.3 163.0 17.7 31.6 49.3 65 75 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.925 123.1 67.6 -51.1 -43.6 17.8 32.2 53.0 66 76 A D T 3 S- 0 0 126 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.728 116.8-119.5 -44.5 -30.5 21.4 33.1 52.3 67 77 A G S < S+ 0 0 50 -3,-2.8 -1,-0.2 1,-0.5 0, 0.0 -0.037 82.2 111.0 103.1 -25.7 19.9 36.1 50.4 68 78 A S S S- 0 0 49 -5,-0.1 -4,-4.0 1,-0.1 -1,-0.5 -0.216 73.1-105.8 -73.9 167.3 21.6 34.8 47.2 69 79 A L B -G 63 0B 71 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.1 -0.761 31.0-106.8 -99.5 144.9 19.6 33.3 44.3 70 80 A M - 0 0 2 -8,-3.1 2,-0.5 -2,-0.4 -42,-0.1 -0.401 30.6-144.9 -66.6 138.4 19.3 29.7 43.4 71 81 A E - 0 0 69 -2,-0.1 2,-0.8 -40,-0.0 -34,-0.5 -0.892 4.9-155.0-109.1 130.9 21.3 28.6 40.4 72 82 A I E -c 37 0A 33 -2,-0.5 -34,-0.2 1,-0.2 3,-0.2 -0.902 8.2-160.3-100.1 109.9 19.9 25.9 38.1 73 83 A K E - 0 0 133 -36,-2.0 2,-0.3 -2,-0.8 -35,-0.2 0.884 68.7 -10.3 -61.5 -36.6 23.1 24.5 36.5 74 84 A K E -c 38 0A 89 -37,-1.0 -35,-2.9 -3,-0.1 2,-0.5 -0.928 55.4-141.0-167.7 138.2 21.2 22.9 33.5 75 85 A V E -c 39 0A 20 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.889 19.8-164.0-103.4 128.0 17.7 22.2 32.3 76 86 A Y E -c 40 0A 7 -37,-4.1 -35,-2.8 -2,-0.5 2,-0.1 -0.952 19.1-127.6-113.2 130.3 17.2 18.9 30.5 77 87 A P E +c 41 0A 26 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.432 40.7 172.1 -70.5 148.1 14.0 18.2 28.4 78 88 A L E -c 42 0A 6 -37,-2.2 -35,-1.3 -2,-0.1 2,-0.4 -0.971 34.6-169.4-160.1 144.5 12.4 15.0 29.5 79 89 A D > - 0 0 9 25,-2.5 3,-1.8 -2,-0.3 27,-0.4 -0.896 13.4-165.5-136.5 99.8 9.3 12.9 29.0 80 90 A A T 3 S+ 0 0 10 -2,-0.4 78,-0.1 1,-0.3 79,-0.1 0.338 80.4 71.8 -70.4 5.2 9.4 10.1 31.7 81 91 A V T 3 S+ 0 0 54 1,-0.1 2,-0.5 77,-0.0 -1,-0.3 0.584 92.9 65.7 -93.9 -13.1 6.7 8.1 30.0 82 92 A F < - 0 0 28 -3,-1.8 24,-2.6 22,-0.2 -3,-0.2 -0.921 56.5-177.2-113.4 121.1 9.3 7.1 27.3 83 93 A D + 0 0 31 -2,-0.5 24,-3.0 22,-0.2 25,-0.3 0.906 69.7 7.2 -79.6 -40.2 12.3 5.0 28.1 84 94 A N S > S- 0 0 30 22,-0.2 3,-3.1 23,-0.1 4,-0.4 -0.968 77.1-102.8-144.7 157.4 14.1 5.0 24.7 85 95 A P G > S+ 0 0 52 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.842 116.6 59.5 -47.0 -44.4 13.8 6.5 21.3 86 96 A E G 3 S+ 0 0 152 1,-0.3 -4,-0.0 -3,-0.0 -3,-0.0 0.646 96.2 66.0 -64.8 -10.0 12.3 3.5 19.8 87 97 A D G < S+ 0 0 77 -3,-3.1 -1,-0.3 2,-0.1 -4,-0.0 0.660 80.8 96.2 -83.0 -17.1 9.4 3.8 22.3 88 98 A V S < S- 0 0 29 -3,-1.9 2,-0.2 -4,-0.4 -6,-0.0 -0.600 72.2-131.4 -81.4 132.6 8.1 7.0 20.9 89 99 A P >> - 0 0 61 0, 0.0 4,-2.9 0, 0.0 3,-1.2 -0.561 17.2-128.5 -77.2 141.6 5.2 7.1 18.4 90 100 A E H 3> S+ 0 0 76 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.812 112.4 70.1 -58.7 -28.0 5.9 9.3 15.3 91 101 A D H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.930 110.2 30.4 -52.9 -48.0 2.6 10.7 16.3 92 102 A V H X4 S+ 0 0 35 -3,-1.2 3,-1.8 2,-0.2 6,-0.3 0.916 116.1 57.8 -76.5 -47.1 4.4 12.2 19.4 93 103 A K H 3< S+ 0 0 47 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.877 106.7 52.6 -49.3 -42.1 7.8 12.6 17.7 94 104 A A T 3< S+ 0 0 77 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.607 80.5 109.9 -73.2 -16.1 6.0 14.8 15.1 95 105 A N S <> S- 0 0 83 -3,-1.8 4,-3.0 -4,-0.3 5,-0.2 -0.432 78.4-121.3 -65.0 138.1 4.4 17.1 17.6 96 106 A K H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 -1,-0.1 0.865 109.7 50.9 -44.1 -50.0 6.0 20.6 17.4 97 107 A R H > S+ 0 0 31 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.975 116.9 37.5 -56.1 -58.5 7.0 20.6 21.1 98 108 A Y H >4 S+ 0 0 28 -6,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.825 115.4 59.4 -63.8 -25.7 8.7 17.2 21.0 99 109 A A H 3< S+ 0 0 62 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 98.4 58.1 -66.7 -41.8 9.8 18.3 17.5 100 110 A G H 3< S+ 0 0 65 -4,-2.8 2,-0.3 -3,-0.3 -1,-0.2 0.521 110.7 33.1 -69.3 -9.5 11.7 21.3 18.9 101 111 A S << - 0 0 29 -3,-0.7 2,-0.3 -4,-0.5 3,-0.1 -0.863 65.8-152.5-141.3 177.4 14.0 19.5 21.3 102 112 A S + 0 0 78 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 -0.860 61.2 45.4-144.9 178.0 15.9 16.3 21.6 103 113 A N + 0 0 72 -2,-0.3 9,-0.2 1,-0.1 -1,-0.1 0.745 68.0 135.1 58.0 27.7 17.4 13.7 23.9 104 114 A W + 0 0 18 4,-0.1 -25,-2.5 -6,-0.1 -22,-0.2 0.367 30.7 99.9 -89.1 2.9 14.3 13.7 26.0 105 115 A T S > S- 0 0 1 -27,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.520 86.3-109.0 -82.2 161.9 13.7 9.9 26.6 106 116 A V H > S+ 0 0 0 -24,-2.6 4,-2.5 -27,-0.4 5,-0.2 0.946 119.3 50.4 -57.1 -48.0 14.8 8.6 30.0 107 117 A Q H > S+ 0 0 85 -24,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.904 113.9 46.5 -56.6 -39.8 17.7 6.7 28.5 108 118 A E H > S+ 0 0 45 -25,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.901 109.9 50.4 -70.3 -42.4 18.9 9.8 26.6 109 119 A A H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.926 110.6 51.9 -62.7 -43.6 18.6 12.2 29.4 110 120 A A H X S+ 0 0 5 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.920 109.4 48.6 -61.7 -41.2 20.7 9.9 31.6 111 121 A E H X S+ 0 0 50 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.909 110.3 52.4 -66.7 -37.4 23.4 9.6 28.9 112 122 A C H X S+ 0 0 34 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.936 109.1 48.5 -63.9 -42.9 23.5 13.4 28.5 113 123 A V H X>S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-1.3 0.927 111.8 50.5 -62.4 -39.0 23.9 13.9 32.3 114 124 A R H X5S+ 0 0 129 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.944 113.8 44.6 -60.2 -47.6 26.7 11.2 32.2 115 125 A Q H <5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 120.1 42.1 -64.3 -43.8 28.4 13.0 29.3 116 126 A D H <5S- 0 0 67 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.795 139.4 -0.2 -75.5 -32.4 27.9 16.4 30.9 117 127 A F H <5S- 0 0 53 -4,-3.3 2,-0.6 -5,-0.2 -3,-0.2 0.497 79.1-137.6-134.8 -15.0 28.8 15.7 34.6 118 128 A G S < - 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