==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-OCT-11 3U9L . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR Z.ZHANG,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.9 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.5 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 0 0 0 0 1 0 3 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 1 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 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 3 A K 0 0 152 0, 0.0 2,-0.2 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 121.1 68.3 35.4 31.4 2 4 A K - 0 0 60 83,-0.0 25,-2.3 82,-0.0 2,-0.6 -0.602 360.0-124.6-107.6 153.1 68.3 33.6 34.8 3 5 A I E -a 27 0A 9 -2,-0.2 82,-2.3 23,-0.2 83,-1.9 -0.899 39.4-173.6 -97.0 120.9 67.8 30.1 35.9 4 6 A I E -ab 28 86A 1 23,-3.0 25,-3.8 -2,-0.6 2,-0.5 -0.941 19.9-166.5-127.2 132.8 65.0 30.2 38.6 5 7 A L E -ab 29 87A 0 81,-2.6 83,-3.2 -2,-0.4 2,-0.4 -0.985 9.0-174.2-117.4 127.9 63.5 27.7 40.9 6 8 A I E -ab 30 88A 1 23,-2.4 25,-2.4 -2,-0.5 3,-0.4 -0.984 13.3-145.4-118.8 131.1 60.2 28.4 42.7 7 9 A T S S+ 0 0 2 81,-2.3 25,-0.1 -2,-0.4 56,-0.1 -0.554 77.6 18.2 -91.0 157.0 58.7 26.1 45.4 8 10 A G S S+ 0 0 11 54,-0.3 3,-0.5 -2,-0.2 6,-0.3 0.880 76.6 151.5 54.8 43.1 55.0 25.5 45.9 9 11 A A + 0 0 0 22,-2.7 23,-0.1 -3,-0.4 -1,-0.1 0.166 28.2 109.2 -92.2 18.0 54.2 26.8 42.5 10 12 A S S S- 0 0 6 21,-0.2 2,-0.2 4,-0.0 -1,-0.2 0.816 94.7 -31.7 -65.6 -30.5 51.0 24.8 41.8 11 13 A S S >> S+ 0 0 60 -3,-0.5 4,-1.4 4,-0.0 3,-0.7 -0.869 104.6 51.3-160.6-168.8 48.8 27.9 42.2 12 14 A G H 3> S- 0 0 44 -2,-0.2 4,-1.9 1,-0.2 5,-0.3 -0.266 117.3 -21.2 70.9-146.5 48.6 31.2 44.1 13 15 A F H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 137.4 61.9 -65.8 -35.9 51.5 33.6 44.1 14 16 A G H <> S+ 0 0 2 -3,-0.7 4,-2.2 -6,-0.3 -2,-0.2 0.939 107.7 40.1 -55.6 -52.5 53.8 30.8 43.2 15 17 A R H X S+ 0 0 63 -4,-1.4 4,-2.3 -7,-0.2 5,-0.2 0.917 115.9 47.3 -67.2 -46.3 52.1 30.0 39.9 16 18 A L H X S+ 0 0 57 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.876 113.0 52.3 -65.2 -33.8 51.5 33.6 38.7 17 19 A T H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.940 108.0 49.2 -67.0 -43.3 55.1 34.4 39.7 18 20 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.946 114.2 47.2 -59.6 -44.3 56.5 31.5 37.7 19 21 A E H X S+ 0 0 26 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.930 112.9 47.3 -64.9 -45.9 54.4 32.6 34.7 20 22 A A H X S+ 0 0 29 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.908 112.6 49.1 -63.2 -39.2 55.4 36.2 34.9 21 23 A L H <>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 -1,-0.2 0.890 112.1 48.3 -66.5 -38.0 59.1 35.4 35.3 22 24 A A H ><5S+ 0 0 1 -4,-2.2 3,-1.9 1,-0.2 34,-0.4 0.890 107.7 56.4 -69.4 -36.2 58.9 33.1 32.3 23 25 A G H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 100.4 59.5 -60.0 -30.5 57.1 35.9 30.5 24 26 A A T 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.389 128.3 -99.0 -83.4 3.7 60.1 38.1 31.2 25 27 A G T < 5S+ 0 0 41 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.536 77.3 137.1 99.3 5.7 62.3 35.6 29.4 26 28 A H < - 0 0 21 -5,-2.0 2,-0.8 -25,-0.1 30,-0.3 -0.475 61.5-113.0 -85.6 161.1 63.7 33.6 32.2 27 29 A R E -a 3 0A 40 -25,-2.3 -23,-3.0 -2,-0.1 2,-0.5 -0.843 45.0-168.6 -89.3 109.6 64.2 29.9 32.5 28 30 A V E -ac 4 57A 0 28,-2.6 30,-3.3 -2,-0.8 2,-0.8 -0.897 21.6-160.9-114.1 119.0 61.7 29.0 35.3 29 31 A Y E -ac 5 58A 17 -25,-3.8 -23,-2.4 -2,-0.5 2,-1.0 -0.863 10.5-165.8 -93.8 107.6 61.4 25.8 37.2 30 32 A A E -ac 6 59A 1 28,-3.7 30,-1.3 -2,-0.8 2,-0.2 -0.793 17.5-168.9 -94.8 102.5 57.9 25.8 38.7 31 33 A S E + c 0 60A 0 -25,-2.4 -22,-2.7 -2,-1.0 2,-0.3 -0.535 16.1 152.7 -99.9 157.1 58.1 23.0 41.3 32 34 A X E - c 0 61A 0 28,-1.8 30,-2.7 -24,-0.2 3,-0.3 -0.974 40.3 -88.0-169.2 164.5 55.4 21.2 43.3 33 35 A R S S+ 0 0 75 -2,-0.3 6,-0.2 28,-0.2 30,-0.1 -0.449 94.9 5.9 -81.4 152.6 54.5 17.9 45.1 34 36 A D > + 0 0 65 1,-0.1 5,-2.2 -2,-0.1 3,-0.4 0.862 61.8 176.1 50.5 57.4 52.7 14.9 43.5 35 37 A I T 5S+ 0 0 46 -3,-0.3 8,-0.2 1,-0.2 -1,-0.1 0.713 77.8 53.2 -70.0 -18.8 52.6 16.1 39.9 36 38 A V T 5S+ 0 0 127 3,-0.1 -1,-0.2 7,-0.0 -2,-0.1 0.779 125.3 14.3 -84.4 -28.2 51.1 12.7 38.8 37 41 A G T > 5S+ 0 0 39 -3,-0.4 3,-2.4 3,-0.1 4,-0.4 0.582 130.4 19.3-105.8-101.7 48.2 12.8 41.3 38 42 A R T 3 5S+ 0 0 205 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.717 132.1 37.2 -49.0 -36.2 47.1 15.8 43.3 39 43 A N T 3> S+ 0 0 29 -3,-2.4 4,-2.1 -6,-0.3 -1,-0.1 0.897 82.4 45.9 -56.7 -40.8 48.1 16.8 37.6 41 45 A S H > S+ 0 0 85 -4,-0.4 4,-2.6 -3,-0.2 -1,-0.3 0.846 111.1 51.3 -69.9 -35.2 45.6 19.5 36.7 42 46 A N H > S+ 0 0 40 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 108.3 52.5 -67.4 -39.7 47.8 22.3 37.8 43 47 A V H X S+ 0 0 30 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.943 111.1 48.1 -56.3 -48.7 50.6 20.8 35.8 44 48 A E H X S+ 0 0 135 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.909 111.3 50.0 -61.7 -44.2 48.2 20.8 32.8 45 49 A A H X S+ 0 0 40 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.920 116.0 41.2 -58.9 -46.2 47.2 24.4 33.4 46 50 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.871 113.6 52.2 -70.8 -44.1 50.8 25.6 33.6 47 51 A A H X S+ 0 0 19 -4,-3.0 4,-2.1 -5,-0.2 5,-0.3 0.912 108.6 52.0 -60.0 -40.7 52.0 23.5 30.7 48 52 A G H X S+ 0 0 35 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.916 109.9 48.8 -62.4 -45.5 49.2 24.9 28.5 49 53 A F H X S+ 0 0 64 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.912 109.9 52.4 -57.6 -45.9 50.2 28.5 29.4 50 54 A A H X>S+ 0 0 10 -4,-2.4 5,-2.1 1,-0.2 4,-0.7 0.893 114.4 40.5 -61.0 -42.6 53.9 27.8 28.7 51 55 A R H <5S+ 0 0 198 -4,-2.1 3,-0.2 2,-0.2 -1,-0.2 0.882 112.8 54.6 -76.4 -37.0 53.2 26.4 25.2 52 56 A D H <5S+ 0 0 137 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.870 119.0 34.0 -64.1 -31.9 50.6 29.0 24.4 53 57 A N H <5S- 0 0 78 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.494 104.5-126.2-102.3 -2.6 53.0 31.8 25.2 54 58 A D T <5 + 0 0 153 -4,-0.7 2,-0.3 -3,-0.2 -3,-0.2 0.940 56.8 149.2 56.3 53.7 56.2 30.1 24.0 55 59 A V < - 0 0 33 -5,-2.1 2,-2.0 -6,-0.1 -1,-0.2 -0.842 60.1-110.7-120.3 155.9 58.0 30.6 27.3 56 60 A D + 0 0 33 -34,-0.4 -28,-2.6 -30,-0.3 2,-0.5 -0.467 62.4 144.5 -84.7 63.3 60.7 28.6 29.1 57 61 A L E -c 28 0A 16 -2,-2.0 2,-0.3 -30,-0.2 -28,-0.2 -0.935 24.7-176.8-105.5 119.5 58.4 27.5 31.9 58 62 A R E -c 29 0A 82 -30,-3.3 -28,-3.7 -2,-0.5 2,-0.3 -0.900 17.6-141.4-121.6 147.3 59.1 24.0 33.2 59 63 A T E -c 30 0A 49 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.842 21.1-176.5-109.3 150.4 57.3 22.0 35.9 60 64 A L E -c 31 0A 13 -30,-1.3 -28,-1.8 -2,-0.3 2,-0.5 -0.999 29.3-117.2-149.8 134.7 59.3 19.8 38.3 61 65 A E E +c 32 0A 54 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.658 44.9 156.7 -76.8 123.8 58.3 17.4 41.0 62 66 A L - 0 0 3 -30,-2.7 2,-0.8 -2,-0.5 -54,-0.3 -0.849 24.3-166.6-154.1 106.4 59.6 18.7 44.3 63 67 A D > - 0 0 46 -2,-0.3 3,-2.3 3,-0.2 7,-0.5 -0.859 8.2-160.2 -95.5 108.9 58.0 17.7 47.6 64 68 A V T 3 S+ 0 0 10 -2,-0.8 56,-0.2 1,-0.3 57,-0.1 0.581 88.2 63.7 -73.5 -7.3 59.5 20.0 50.2 65 69 A Q T 3 S+ 0 0 84 1,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.509 96.8 67.2 -89.2 -3.9 58.6 17.7 53.0 66 70 A S <> - 0 0 38 -3,-2.3 4,-2.8 1,-0.2 5,-0.2 -0.936 62.3-163.0-121.1 113.7 61.0 15.0 51.6 67 71 A Q H > S+ 0 0 61 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.923 97.2 53.6 -58.0 -40.5 64.8 15.6 51.6 68 72 A V H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 110.0 46.5 -59.6 -47.2 65.1 12.9 49.0 69 73 A S H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 114.0 48.1 -55.4 -50.7 62.5 14.6 46.8 70 74 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 -7,-0.5 5,-0.2 0.936 111.5 49.8 -56.4 -49.3 64.2 17.9 47.2 71 75 A D H X S+ 0 0 66 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.933 110.0 50.6 -59.9 -46.3 67.7 16.5 46.5 72 76 A R H X S+ 0 0 143 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.905 110.8 48.2 -56.4 -47.7 66.6 14.8 43.3 73 77 A A H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.844 112.0 48.9 -67.1 -37.1 64.9 17.9 41.9 74 78 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.915 109.5 52.7 -68.9 -45.6 68.0 20.1 42.7 75 79 A D H X S+ 0 0 95 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.869 106.8 54.5 -54.2 -36.6 70.3 17.5 41.0 76 80 A Q H X S+ 0 0 78 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.947 110.5 43.9 -62.8 -47.9 68.0 17.6 37.9 77 81 A I H X>S+ 0 0 0 -4,-1.7 4,-3.4 2,-0.2 5,-0.6 0.928 116.0 46.9 -60.6 -48.1 68.3 21.4 37.5 78 82 A I H X5S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.969 111.7 50.8 -65.3 -46.8 72.1 21.4 38.2 79 83 A G H <5S+ 0 0 71 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.832 120.2 37.7 -55.0 -33.3 72.7 18.5 35.7 80 84 A E H <5S+ 0 0 118 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.893 135.1 15.6 -84.3 -43.0 70.6 20.4 33.1 81 85 A D H <5S- 0 0 33 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.534 87.4-128.1-117.0 -14.2 71.6 24.0 33.6 82 86 A G S <> - 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.393 51.3-131.6 -63.8 135.1 41.5 28.9 68.4 99 103 A A G >4 S+ 0 0 43 1,-0.3 3,-1.2 2,-0.2 -3,-0.0 0.850 103.7 60.0 -62.4 -39.2 45.2 28.2 69.1 100 104 A E G 34 S+ 0 0 95 1,-0.2 -1,-0.3 99,-0.1 100,-0.1 0.762 100.0 57.6 -58.5 -26.3 44.4 26.0 72.1 101 105 A A G <4 S+ 0 0 0 -3,-1.4 95,-1.7 98,-0.1 2,-0.4 0.563 87.5 88.6 -86.7 -13.4 42.5 23.6 69.9 102 106 A F S << S- 0 0 9 -3,-1.2 -5,-0.0 -4,-0.5 5,-0.0 -0.740 81.2-126.0 -80.0 133.6 45.4 22.9 67.6 103 107 A T > - 0 0 31 -2,-0.4 4,-1.9 1,-0.1 3,-0.2 -0.364 20.0-109.1 -79.8 162.3 47.5 20.1 68.9 104 108 A P H > S+ 0 0 102 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.859 123.0 52.2 -55.0 -38.1 51.3 20.3 69.5 105 109 A E H > S+ 0 0 132 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.868 103.6 57.8 -66.3 -37.6 51.8 18.1 66.4 106 110 A Q H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 106.8 46.9 -57.6 -48.2 49.7 20.4 64.4 107 111 A F H X S+ 0 0 74 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.908 112.4 52.3 -60.5 -42.4 52.0 23.3 65.1 108 112 A A H X S+ 0 0 56 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.909 107.3 50.9 -58.4 -43.7 54.9 21.0 64.2 109 113 A E H X S+ 0 0 94 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.879 109.3 50.9 -64.2 -39.1 53.4 20.1 60.9 110 114 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.963 109.4 49.6 -63.4 -52.1 52.9 23.8 60.1 111 115 A Y H X>S+ 0 0 89 -4,-2.5 4,-2.5 2,-0.2 5,-2.1 0.886 109.7 53.8 -48.7 -46.7 56.5 24.5 60.9 112 116 A D H <>S+ 0 0 32 -4,-2.4 5,-1.8 3,-0.2 -2,-0.2 0.976 114.4 40.0 -54.3 -56.8 57.5 21.6 58.7 113 117 A I H <5S+ 0 0 22 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.866 126.0 32.4 -62.6 -40.7 55.5 23.0 55.8 114 118 A N H <5S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.739 136.5 11.5 -97.7 -20.5 56.4 26.6 56.1 115 119 A V T >X5S+ 0 0 4 -4,-2.5 4,-1.5 -5,-0.4 3,-0.7 0.734 121.0 51.4-122.1 -54.8 59.9 26.5 57.6 116 120 A L H 3> S+ 0 0 4 -3,-0.7 4,-3.0 1,-0.2 -1,-0.2 0.825 109.5 54.3 -64.3 -33.9 63.0 26.1 53.2 119 123 A Q H X S+ 0 0 70 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.912 107.7 48.8 -69.1 -42.5 65.8 24.4 55.1 120 124 A R H X S+ 0 0 48 -4,-2.4 4,-1.5 -56,-0.2 -2,-0.2 0.948 116.0 44.5 -57.0 -49.4 65.6 21.2 53.0 121 125 A V H X S+ 0 0 1 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.933 114.8 47.8 -63.8 -46.4 65.7 23.3 49.9 122 126 A N H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.923 108.6 53.1 -60.9 -44.5 68.4 25.6 51.1 123 127 A R H < S+ 0 0 170 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 116.0 42.2 -62.1 -30.5 70.7 22.8 52.3 124 128 A A H < S+ 0 0 11 -4,-1.5 4,-0.4 -5,-0.2 -2,-0.2 0.898 124.4 32.6 -76.9 -45.7 70.3 21.2 48.8 125 129 A A H >X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 3,-0.7 0.833 103.4 70.2 -85.9 -37.2 70.7 24.4 46.7 126 130 A L H 3X S+ 0 0 8 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.821 88.8 61.4 -57.4 -38.5 73.0 26.5 48.6 127 131 A P H 3> S+ 0 0 34 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.911 109.7 45.3 -55.1 -42.7 76.2 24.5 48.1 128 132 A H H <> S+ 0 0 34 -3,-0.7 4,-1.3 -4,-0.4 -2,-0.2 0.914 113.7 47.4 -67.5 -40.9 75.8 25.1 44.4 129 133 A X H X>S+ 0 0 0 -4,-1.7 5,-1.2 1,-0.2 4,-0.8 0.879 109.4 54.6 -69.5 -32.3 75.0 28.8 44.8 130 134 A R H ><5S+ 0 0 77 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.869 103.8 54.9 -68.5 -36.9 77.9 29.2 47.1 131 135 A R H 3<5S+ 0 0 163 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.853 108.0 50.3 -63.0 -33.0 80.3 27.7 44.5 132 136 A Q H 3<5S- 0 0 93 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.727 97.4-143.2 -72.1 -23.2 79.1 30.4 42.1 133 137 A K T <<5S+ 0 0 141 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.834 75.5 74.3 57.2 36.1 79.7 33.1 44.6 134 138 A H < + 0 0 95 -5,-1.2 2,-0.2 45,-0.0 45,-0.2 -0.969 51.4 107.4-169.0 153.0 76.6 34.7 43.2 135 139 A G E - 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