==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUL-10 3NUG . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR H.N.CHU . 988 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 769 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 13.3 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 . 68 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.1 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 8 0 0 4 0 0 0 8 8 0 0 4 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 6 9 5 3 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 4 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 2 A T 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.4 -1.9 -5.5 47.2 2 3 A E > + 0 0 125 28,-0.1 3,-1.9 3,-0.1 27,-0.1 -0.048 360.0 120.2-128.8 26.5 -4.6 -2.9 47.3 3 4 A R T 3 S+ 0 0 76 1,-0.3 27,-0.2 3,-0.0 225,-0.1 0.754 74.0 49.9 -64.4 -22.4 -2.2 -0.4 45.8 4 5 A L T > S+ 0 0 5 25,-2.5 3,-2.5 22,-0.1 28,-0.3 0.215 77.1 143.0-100.5 15.4 -4.5 0.1 42.7 5 6 A A T < S+ 0 0 52 -3,-1.9 26,-0.2 24,-0.4 3,-0.1 -0.300 73.3 17.3 -53.7 132.0 -7.7 0.6 44.7 6 7 A G T 3 S+ 0 0 75 24,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.344 102.5 115.9 87.6 -7.4 -9.8 3.2 43.0 7 8 A K < - 0 0 74 -3,-2.5 25,-3.2 23,-0.2 2,-0.5 -0.685 54.7-145.5 -94.8 148.8 -7.9 2.9 39.7 8 9 A T E -a 32 0A 8 -2,-0.3 74,-3.2 23,-0.2 75,-1.9 -0.958 16.6-172.0-114.2 130.3 -9.4 1.6 36.4 9 10 A A E -ab 33 83A 0 23,-2.7 25,-3.4 -2,-0.5 2,-0.5 -0.975 11.9-155.0-125.4 135.1 -7.3 -0.4 34.0 10 11 A L E -ab 34 84A 0 73,-2.6 75,-2.7 -2,-0.4 2,-0.5 -0.899 9.9-172.8-102.2 131.0 -8.0 -1.6 30.5 11 12 A V E > -ab 35 85A 0 23,-2.7 25,-2.6 -2,-0.5 3,-0.5 -0.977 10.2-153.8-123.9 119.1 -6.1 -4.6 29.1 12 13 A T T 3 S+ 0 0 2 73,-1.9 25,-0.2 -2,-0.5 75,-0.2 -0.585 78.4 24.9 -88.7 155.6 -6.6 -5.5 25.5 13 14 A G T > S+ 0 0 11 23,-0.4 3,-0.5 46,-0.2 6,-0.4 0.844 81.6 141.7 64.5 34.6 -6.2 -9.0 24.2 14 15 A A T < + 0 0 0 22,-2.8 23,-0.2 -3,-0.5 -1,-0.1 0.244 31.7 97.1 -99.3 14.4 -7.1 -10.2 27.7 15 16 A A T 3 S- 0 0 14 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.775 100.6 -13.8 -71.2 -25.0 -9.2 -13.3 26.9 16 17 A Q S X> S+ 0 0 89 -3,-0.5 4,-1.7 30,-0.0 3,-0.5 -0.899 106.0 23.1-157.7-178.5 -6.2 -15.6 27.4 17 18 A G H 3> S- 0 0 12 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.055 116.9 -9.9 56.8-142.9 -2.4 -15.7 27.7 18 19 A I H 3> S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 135.3 55.6 -58.1 -42.9 -0.3 -12.8 28.9 19 20 A G H <> S+ 0 0 0 -3,-0.5 4,-2.5 -6,-0.4 -5,-0.3 0.914 108.2 46.1 -59.2 -46.1 -3.2 -10.4 28.6 20 21 A K H X S+ 0 0 69 -4,-1.7 4,-2.9 -7,-0.3 -1,-0.2 0.927 112.7 51.2 -64.5 -41.3 -5.5 -12.5 30.9 21 22 A A H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 110.1 49.4 -62.3 -40.7 -2.6 -12.9 33.4 22 23 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.947 111.4 49.3 -63.5 -47.1 -2.0 -9.1 33.4 23 24 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.924 110.6 50.6 -56.1 -46.0 -5.8 -8.5 34.0 24 25 A A H X S+ 0 0 39 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.897 111.7 47.3 -60.9 -41.9 -5.8 -11.0 36.9 25 26 A R H X S+ 0 0 47 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.920 111.0 49.2 -69.7 -45.0 -2.8 -9.4 38.6 26 27 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.2 0.869 111.1 52.1 -60.8 -37.0 -4.1 -5.8 38.3 27 28 A A H ><5S+ 0 0 3 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.908 108.0 50.7 -62.7 -43.0 -7.4 -7.0 39.7 28 29 A A H 3<5S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.802 103.0 60.4 -64.8 -30.0 -5.6 -8.6 42.6 29 30 A D T 3<5S- 0 0 5 -4,-1.8 -25,-2.5 -5,-0.1 -24,-0.4 0.549 127.9-101.9 -70.9 -11.2 -3.8 -5.2 43.1 30 31 A G T < 5S+ 0 0 8 -3,-1.5 -24,-0.7 1,-0.3 -3,-0.2 0.443 74.7 140.3 106.8 1.7 -7.3 -3.7 43.6 31 32 A A < - 0 0 0 -5,-2.3 2,-0.7 -26,-0.2 22,-0.4 -0.358 59.0-117.9 -75.5 153.7 -8.0 -2.1 40.3 32 33 A T E -a 8 0A 24 -25,-3.2 -23,-2.7 -28,-0.3 2,-0.5 -0.870 43.9-154.6 -84.5 117.7 -11.3 -2.1 38.4 33 34 A V E -a 9 0A 0 -2,-0.7 22,-2.7 -25,-0.2 2,-0.7 -0.844 19.3-154.1-110.0 129.3 -10.2 -4.0 35.3 34 35 A I E -ac 10 55A 0 -25,-3.4 -23,-2.7 -2,-0.5 2,-0.8 -0.898 14.1-156.5 -95.0 115.2 -11.7 -3.9 31.8 35 36 A V E -ac 11 56A 0 20,-3.4 22,-2.0 -2,-0.7 2,-0.4 -0.850 20.0-179.1 -92.6 107.4 -10.9 -7.2 30.1 36 37 A S + 0 0 0 -25,-2.6 -22,-2.8 -2,-0.8 -23,-0.4 -0.896 11.7 147.0-115.4 142.2 -11.1 -6.5 26.4 37 38 A D - 0 0 23 20,-0.4 22,-2.0 -2,-0.4 6,-0.1 -0.975 53.5-121.3-160.2 159.9 -10.5 -8.9 23.5 38 39 A I S S+ 0 0 120 -2,-0.3 2,-1.3 20,-0.2 3,-0.1 0.794 103.9 79.2 -75.4 -28.4 -11.8 -9.4 19.9 39 40 A N S > S- 0 0 66 1,-0.2 4,-2.3 20,-0.1 5,-0.2 -0.689 70.2-172.7 -75.9 93.6 -12.9 -12.8 21.2 40 41 A A H > S+ 0 0 35 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.906 80.4 45.9 -61.4 -45.2 -16.1 -11.6 22.9 41 42 A E H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 113.0 50.6 -66.5 -39.4 -17.0 -14.9 24.5 42 43 A G H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.864 107.8 53.3 -66.2 -36.9 -13.4 -15.4 25.7 43 44 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.932 109.7 48.5 -62.8 -45.7 -13.3 -11.9 27.2 44 45 A K H X S+ 0 0 118 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.948 112.3 47.5 -58.5 -53.0 -16.5 -12.6 29.2 45 46 A A H X S+ 0 0 65 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 112.4 50.7 -56.4 -41.1 -15.2 -15.9 30.5 46 47 A A H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 110.9 46.8 -67.8 -42.6 -11.9 -14.3 31.5 47 48 A A H X S+ 0 0 6 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 114.4 47.7 -64.8 -41.2 -13.5 -11.4 33.4 48 49 A A H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.844 110.2 54.0 -66.5 -33.5 -15.8 -13.8 35.2 49 50 A S H < S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.906 111.1 44.6 -64.2 -43.0 -12.8 -16.0 36.0 50 51 A I H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.834 86.3 174.1 -72.5 -34.8 -10.9 -13.2 37.6 51 52 A G >< + 0 0 29 -4,-1.9 3,-2.2 -5,-0.2 -1,-0.2 -0.334 37.7 95.4 57.6-138.3 -14.0 -11.9 39.5 52 53 A K T 3 S- 0 0 155 1,-0.3 -1,-0.1 -4,-0.1 -20,-0.1 -0.302 115.2 -28.3 50.0-134.5 -13.1 -9.1 41.9 53 54 A K T 3 S+ 0 0 116 -22,-0.4 -1,-0.3 -26,-0.2 -2,-0.1 0.449 100.1 135.5 -92.4 8.9 -13.9 -5.9 40.0 54 55 A A < + 0 0 16 -3,-2.2 2,-0.3 -7,-0.2 -20,-0.2 -0.226 27.0 178.7 -67.3 136.3 -13.3 -7.3 36.5 55 56 A R E -c 34 0A 112 -22,-2.7 -20,-3.4 2,-0.0 2,-0.4 -0.970 19.6-132.9-131.6 148.3 -15.7 -6.5 33.6 56 57 A A E +c 35 0A 12 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.845 22.6 172.0-105.1 137.4 -15.5 -7.6 29.9 57 58 A I - 0 0 9 -22,-2.0 -20,-0.4 -2,-0.4 -2,-0.0 -0.912 27.1-134.7-139.9 117.9 -16.0 -5.4 26.8 58 59 A A + 0 0 42 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.327 34.0 157.4 -68.0 147.2 -15.2 -6.8 23.4 59 60 A A - 0 0 5 -22,-2.0 2,-0.7 10,-0.1 -46,-0.2 -0.922 41.6-134.3-166.2 146.0 -13.3 -4.8 20.8 60 61 A D > - 0 0 45 -2,-0.3 3,-2.0 3,-0.2 7,-0.3 -0.935 21.3-152.5 -95.4 113.3 -11.1 -5.2 17.7 61 62 A I T 3 S+ 0 0 9 -2,-0.7 57,-0.2 1,-0.3 56,-0.1 0.745 93.1 57.1 -62.9 -20.5 -8.1 -2.9 18.4 62 63 A S T 3 S+ 0 0 12 55,-0.1 -1,-0.3 1,-0.1 53,-0.0 0.519 90.9 82.8 -86.6 -4.2 -7.6 -2.4 14.7 63 64 A D <> - 0 0 73 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 -0.880 64.4-160.0-108.1 109.8 -11.2 -1.1 14.2 64 65 A P H > S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.866 93.7 49.2 -56.8 -42.0 -11.5 2.7 15.1 65 66 A G H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 109.7 51.1 -62.6 -47.2 -15.3 2.4 15.5 66 67 A S H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 111.8 47.9 -54.6 -43.5 -15.0 -0.7 17.8 67 68 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 -7,-0.3 -1,-0.2 0.889 108.1 53.8 -68.9 -39.8 -12.4 1.1 19.9 68 69 A K H X S+ 0 0 160 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.924 111.0 47.1 -60.3 -43.8 -14.6 4.3 20.2 69 70 A A H X S+ 0 0 61 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.922 109.6 54.8 -63.2 -44.8 -17.5 2.1 21.4 70 71 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.942 112.0 42.4 -51.0 -52.9 -15.1 0.4 23.9 71 72 A F H X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.845 109.0 57.1 -72.9 -31.2 -14.1 3.7 25.4 72 73 A A H X S+ 0 0 63 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.1 46.1 -61.3 -43.3 -17.5 5.2 25.5 73 74 A E H X S+ 0 0 89 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.874 111.7 50.8 -69.3 -37.7 -18.7 2.2 27.6 74 75 A I H X>S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 6,-0.8 0.931 109.7 50.7 -62.4 -44.4 -15.7 2.4 29.9 75 76 A Q H X5S+ 0 0 83 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.933 112.5 46.8 -61.6 -43.0 -16.3 6.1 30.4 76 77 A A H <5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 118.6 41.0 -65.6 -38.7 -20.0 5.4 31.3 77 78 A L H <5S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.811 135.9 7.7 -79.1 -31.2 -19.1 2.5 33.6 78 79 A T H <5S- 0 0 35 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.549 94.3-105.2-133.4 -14.8 -16.1 3.9 35.4 79 80 A G S < - 0 0 41 -2,-0.4 3,-2.4 1,-0.1 4,-0.3 -0.301 37.0-109.3 -57.3 146.2 9.0 -18.0 6.7 96 97 A W G > S+ 0 0 8 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.863 117.8 55.4 -47.3 -44.9 10.5 -14.9 5.0 97 98 A D G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.571 104.9 55.5 -73.1 -3.6 9.5 -15.9 1.5 98 99 A D G < S+ 0 0 110 -3,-2.4 2,-1.2 2,-0.1 -1,-0.3 0.350 80.0 104.7-103.3 -1.1 5.9 -16.2 2.7 99 100 A V < + 0 0 0 -3,-2.1 2,-0.2 -4,-0.3 -3,-0.0 -0.720 50.5 163.3 -82.3 99.1 5.9 -12.7 3.9 100 101 A D > - 0 0 87 -2,-1.2 4,-2.8 1,-0.0 5,-0.2 -0.548 54.2 -90.9-110.1 177.7 3.8 -10.8 1.3 101 102 A L H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.880 123.5 52.8 -59.1 -42.7 2.1 -7.4 1.3 102 103 A D H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 113.4 43.1 -58.7 -47.4 -1.2 -8.8 2.6 103 104 A H H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.946 115.5 49.8 -62.5 -50.4 0.5 -10.5 5.5 104 105 A W H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.932 110.3 49.1 -53.6 -51.4 2.7 -7.5 6.2 105 106 A R H X S+ 0 0 105 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.883 110.7 51.5 -60.3 -38.1 -0.2 -5.0 6.1 106 107 A K H X S+ 0 0 103 -4,-1.9 4,-2.3 -5,-0.2 5,-0.3 0.914 111.5 45.0 -67.3 -42.8 -2.3 -7.2 8.5 107 108 A I H X>S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 5,-0.6 0.922 116.9 45.5 -68.8 -43.3 0.4 -7.5 11.2 108 109 A I H X>S+ 0 0 4 -4,-2.5 5,-2.7 -5,-0.2 4,-1.7 0.928 112.4 53.5 -61.6 -42.3 1.3 -3.8 11.0 109 110 A D H <>S+ 0 0 46 -4,-2.6 5,-1.5 -5,-0.3 -2,-0.2 0.932 120.5 27.7 -64.3 -47.7 -2.4 -2.9 11.1 110 111 A V H <5S+ 0 0 16 -4,-2.3 5,-0.4 3,-0.2 -2,-0.2 0.966 127.4 40.1 -76.7 -53.9 -3.3 -4.9 14.2 111 112 A N H <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.852 133.5 15.6 -71.7 -35.7 -0.0 -4.9 16.1 112 113 A L T X S+ 0 0 7 -5,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.925 110.1 46.6 -62.6 -43.1 -1.9 0.0 19.3 116 117 A F H X S+ 0 0 2 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.944 109.9 53.1 -59.9 -49.9 -2.1 3.6 18.1 117 118 A I H X S+ 0 0 11 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.928 114.9 40.9 -53.4 -50.5 -5.9 3.6 17.8 118 119 A V H X S+ 0 0 0 -4,-2.4 4,-3.2 -57,-0.2 -1,-0.2 0.889 116.4 49.3 -66.9 -40.7 -6.3 2.3 21.3 119 120 A T H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.3 5,-0.4 0.906 108.4 53.3 -66.9 -43.0 -3.7 4.6 22.7 120 121 A R H X S+ 0 0 30 -4,-3.4 4,-1.7 2,-0.2 -1,-0.2 0.949 117.5 37.3 -52.2 -53.0 -5.1 7.7 21.0 121 122 A A H X S+ 0 0 27 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.917 118.0 50.4 -71.2 -43.4 -8.5 7.1 22.5 122 123 A G H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.903 113.1 43.2 -64.7 -45.7 -7.2 5.8 25.8 123 124 A T H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.837 110.5 56.3 -71.3 -31.1 -4.9 8.7 26.5 124 125 A D H X S+ 0 0 62 -4,-1.7 4,-2.4 -5,-0.4 -2,-0.2 0.916 109.0 49.2 -61.5 -39.0 -7.5 11.3 25.3 125 126 A Q H X S+ 0 0 16 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.926 109.4 50.3 -65.6 -47.9 -9.8 9.7 27.9 126 127 A M H >X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-1.1 0.956 113.5 46.1 -50.0 -53.5 -7.1 10.0 30.7 127 128 A R H 3<5S+ 0 0 57 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.859 104.1 60.7 -64.6 -38.3 -6.5 13.6 29.8 128 129 A A H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.0 39.7 -53.6 -38.4 -10.3 14.4 29.6 129 130 A A H <<5S- 0 0 53 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.638 111.0-122.8 -86.1 -17.1 -10.4 13.4 33.3 130 131 A G T <5 + 0 0 66 -4,-1.1 2,-0.3 -3,-0.2 -3,-0.2 0.751 55.3 159.2 79.7 24.7 -7.1 15.0 34.2 131 132 A K < - 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f 0 239A 0 56,-2.8 58,-2.4 -2,-0.4 -42,-0.2 -0.847 14.4-163.7-112.0 95.7 9.6 -6.9 25.9 183 184 A P E - f 0 240A 7 0, 0.0 -42,-2.4 0, 0.0 -41,-0.3 -0.430 10.7-138.4 -69.1 149.0 8.7 -10.4 27.0 184 185 A G - 0 0 10 56,-2.0 2,-0.3 1,-0.2 58,-0.1 -0.131 62.1 -39.3 -81.2-164.5 10.9 -13.3 25.9 185 186 A L S S- 0 0 31 56,-0.2 28,-0.6 -2,-0.1 2,-0.4 -0.451 71.6-169.3 -60.9 122.0 9.3 -16.5 24.7 186 187 A I B -g 213 0B 5 -2,-0.3 2,-2.0 -3,-0.1 28,-0.2 -0.931 30.1-122.6-120.8 142.7 6.3 -17.1 27.1 187 188 A E + 0 0 45 26,-2.6 -170,-0.1 -2,-0.4 2,-0.1 -0.368 55.4 152.8 -82.7 58.8 4.2 -20.3 27.4 188 189 A S > - 0 0 17 -2,-2.0 4,-2.6 26,-0.1 5,-0.2 -0.337 62.1-104.8 -75.6 169.0 0.9 -18.5 26.7 189 190 A D H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.876 123.0 55.1 -61.7 -38.4 -2.0 -20.4 25.1 190 191 A G H 4 S+ 0 0 37 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.919 110.7 43.3 -60.3 -46.3 -1.2 -18.7 21.8 191 192 A V H >4 S+ 0 0 16 1,-0.2 3,-2.2 2,-0.2 6,-0.6 0.919 107.7 58.8 -68.8 -42.7 2.4 -19.8 21.8 192 193 A K H 3< S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 110.6 44.8 -54.1 -28.9 1.5 -23.4 22.9 193 194 A A T 3< S+ 0 0 90 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.379 105.8 82.2 -96.8 0.8 -0.7 -23.5 19.8 194 195 A S S X S- 0 0 22 -3,-2.2 3,-1.8 -4,-0.1 4,-0.2 -0.662 88.0-117.5-106.6 159.0 2.0 -22.0 17.6 195 196 A P G > S+ 0 0 72 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.661 111.6 76.6 -63.6 -14.8 5.1 -23.4 15.9 196 197 A H G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.714 75.1 76.6 -68.0 -19.3 6.9 -21.0 18.2 197 198 A N G X S+ 0 0 39 -3,-1.8 3,-1.0 -6,-0.6 -1,-0.3 0.756 84.2 64.3 -59.9 -23.3 6.2 -23.6 20.9 198 199 A E G < S+ 0 0 153 -3,-1.4 3,-0.5 1,-0.2 4,-0.3 0.614 87.4 70.5 -79.8 -8.7 9.1 -25.6 19.5 199 200 A A G <> + 0 0 38 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.574 69.1 94.6 -83.9 -8.4 11.7 -22.9 20.3 200 201 A F H <> S+ 0 0 8 -3,-1.0 4,-2.8 -4,-0.2 5,-0.3 0.851 80.2 55.1 -55.4 -37.5 11.5 -23.5 24.1 201 202 A G H > S+ 0 0 49 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.958 113.9 38.6 -60.8 -50.9 14.5 -25.9 24.1 202 203 A F H > S+ 0 0 93 -4,-0.3 4,-1.7 -3,-0.2 -2,-0.2 0.923 117.6 50.4 -65.9 -44.9 16.8 -23.5 22.4 203 204 A V H X S+ 0 0 16 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 0.938 108.1 51.0 -63.4 -49.2 15.5 -20.5 24.2 204 205 A E H < S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 109.7 52.3 -56.4 -36.8 15.8 -22.0 27.7 205 206 A M H < S+ 0 0 148 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.851 110.1 47.8 -68.3 -32.5 19.4 -23.0 26.9 206 207 A L H < S+ 0 0 52 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.720 96.3 93.3 -77.2 -24.9 20.2 -19.4 25.9 207 208 A Q S < S- 0 0 16 -4,-1.8 36,-0.2 -5,-0.2 35,-0.1 -0.351 72.7-140.7 -65.5 149.7 18.5 -18.0 29.1 208 209 A A S S+ 0 0 16 34,-2.1 2,-0.3 522,-0.1 35,-0.2 0.782 89.9 53.0 -76.1 -29.2 20.6 -17.3 32.2 209 210 A M S S- 0 0 19 33,-1.6 2,-0.2 32,-0.1 460,-0.1 -0.719 89.2-114.9-105.0 158.3 17.7 -18.7 34.4 210 211 A K + 0 0 182 458,-0.3 2,-0.1 -2,-0.3 -2,-0.1 -0.557 64.5 49.4 -92.4 157.2 16.0 -22.0 34.0 211 212 A G S S- 0 0 27 -2,-0.2 2,-0.5 -4,-0.1 -2,-0.1 -0.076 84.6 -71.6 106.7 157.6 12.4 -22.8 33.2 212 213 A K - 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