==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-NOV-09 2WYU . COMPND 2 MOLECULE: ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.M.OTERO,A.J.NOEL,P.GUARDADO-CALVO,A.L.LLAMAS-SAIZ,M.J.VAN . 1009 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 56 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 354 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 4 0 1 0 0 0 10 6 7 0 0 4 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 16 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A M 0 0 111 0, 0.0 2,-0.3 0, 0.0 261,-0.2 0.000 360.0 360.0 360.0 152.9 6.2 18.1 -0.6 2 2 A L E -A 261 0A 19 259,-2.4 259,-3.4 288,-0.2 2,-0.4 -0.873 360.0-151.9-114.3 146.1 8.0 15.0 -1.7 3 3 A T E -A 260 0A 67 -2,-0.3 2,-0.7 257,-0.2 257,-0.3 -0.971 11.1-153.6-124.8 137.1 6.6 12.7 -4.4 4 4 A V E -A 259 0A 6 255,-3.7 255,-3.0 -2,-0.4 2,-0.7 -0.948 21.8-175.7-103.2 105.7 7.0 8.9 -4.9 5 5 A D + 0 0 84 -2,-0.7 29,-0.2 253,-0.2 28,-0.1 -0.892 16.1 171.7-111.9 104.1 6.5 8.4 -8.7 6 6 A L > + 0 0 2 27,-2.8 3,-2.2 -2,-0.7 30,-0.2 0.118 24.9 148.5 -99.8 23.3 6.6 4.8 -9.8 7 7 A S T 3 + 0 0 75 26,-0.3 28,-0.2 1,-0.3 3,-0.1 -0.267 69.6 20.8 -52.4 136.6 5.5 5.5 -13.3 8 8 A G T 3 S+ 0 0 58 26,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.287 96.8 124.8 85.0 -10.2 7.0 3.0 -15.8 9 9 A K < - 0 0 72 -3,-2.2 27,-2.7 25,-0.1 2,-0.4 -0.568 50.2-144.9 -85.6 150.9 7.6 0.5 -13.0 10 10 A K E -b 36 0B 40 25,-0.2 79,-2.4 -2,-0.2 78,-2.3 -0.962 13.6-171.2-125.1 129.2 6.2 -3.1 -13.2 11 11 A A E -bc 37 89B 0 25,-2.9 27,-2.2 -2,-0.4 2,-0.5 -0.916 13.3-158.7-121.7 140.1 4.9 -5.3 -10.2 12 12 A L E -bc 38 90B 0 77,-2.2 79,-2.7 -2,-0.4 2,-0.5 -0.997 15.7-165.3-114.6 121.0 3.9 -8.9 -10.1 13 13 A V E -bc 39 91B 0 25,-2.8 27,-1.9 -2,-0.5 2,-0.4 -0.959 7.6-169.2-115.7 120.5 1.6 -9.5 -7.0 14 14 A M E + c 0 92B 0 77,-3.0 79,-2.3 -2,-0.5 27,-0.1 -0.884 57.0 26.3-119.5 140.7 1.1 -13.2 -6.0 15 15 A G S S+ 0 0 34 -2,-0.4 2,-0.4 1,-0.3 80,-0.2 0.419 75.3 140.3 98.9 1.4 -1.3 -14.9 -3.6 16 16 A V + 0 0 9 24,-0.2 -1,-0.3 -3,-0.2 3,-0.1 -0.654 9.6 151.4 -90.5 127.3 -4.1 -12.3 -3.7 17 17 A T + 0 0 65 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.451 63.7 30.3-125.4 -9.7 -7.8 -13.6 -3.7 18 18 A N S S- 0 0 60 1,-0.1 6,-0.3 35,-0.0 -1,-0.3 -0.986 70.7-120.9-155.9 148.9 -9.8 -10.8 -2.1 19 19 A Q S S+ 0 0 99 -2,-0.3 2,-1.5 1,-0.2 -1,-0.1 0.735 106.1 72.4 -66.3 -25.0 -9.8 -7.0 -1.7 20 20 A R S S+ 0 0 153 4,-0.1 176,-2.0 5,-0.0 177,-0.3 -0.677 82.1 97.3 -93.4 78.5 -9.6 -7.6 2.1 21 21 A S S > S- 0 0 18 -2,-1.5 4,-1.8 174,-0.2 5,-0.1 -0.975 80.1-121.1-157.9 156.7 -6.1 -8.8 2.1 22 22 A L H > S+ 0 0 28 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.881 113.3 56.2 -68.8 -37.9 -2.7 -7.4 2.8 23 23 A G H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 108.0 46.9 -58.5 -47.0 -1.5 -8.4 -0.7 24 24 A F H > S+ 0 0 15 -6,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.918 107.9 56.8 -61.5 -43.9 -4.3 -6.4 -2.3 25 25 A A H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.882 109.5 45.5 -56.8 -42.3 -3.5 -3.5 -0.0 26 26 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.914 111.5 51.7 -66.5 -45.3 0.1 -3.4 -1.3 27 27 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 109.0 51.9 -55.6 -43.0 -1.0 -3.8 -4.9 28 28 A A H X S+ 0 0 36 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.913 109.8 47.9 -63.8 -43.0 -3.4 -0.9 -4.4 29 29 A K H X S+ 0 0 39 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.886 109.5 53.4 -66.1 -35.4 -0.7 1.4 -3.1 30 30 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.6 0.916 110.1 48.1 -59.3 -43.5 1.6 0.4 -5.9 31 31 A K H ><5S+ 0 0 52 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.921 110.1 51.8 -62.7 -45.6 -1.1 1.4 -8.4 32 32 A E H 3<5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.1 52.9 -60.9 -34.9 -1.6 4.7 -6.6 33 33 A A H 3<5S- 0 0 1 -4,-1.9 -27,-2.8 -5,-0.2 226,-0.4 0.608 127.2 -99.4 -79.6 -9.8 2.1 5.4 -6.8 34 34 A G T <<5S+ 0 0 27 -3,-1.2 -26,-0.6 -4,-0.6 -3,-0.2 0.389 74.6 136.7 113.0 -1.0 2.0 4.8 -10.6 35 35 A A < - 0 0 3 -5,-2.4 2,-0.4 -28,-0.2 -1,-0.3 -0.381 52.9-121.5 -74.9 155.1 3.2 1.2 -11.1 36 36 A E E -b 10 0B 73 -27,-2.7 -25,-2.9 -30,-0.2 2,-0.4 -0.824 31.4-150.9 -92.6 139.8 1.6 -1.3 -13.4 37 37 A V E -b 11 0B 0 -2,-0.4 24,-1.7 22,-0.4 2,-0.4 -0.906 16.4-167.7-117.9 136.9 0.5 -4.5 -11.7 38 38 A A E -bd 12 61B 0 -27,-2.2 -25,-2.8 -2,-0.4 2,-0.4 -0.974 15.6-155.7-112.9 136.4 0.1 -8.1 -12.9 39 39 A L E -bd 13 62B 2 22,-3.0 24,-2.0 -2,-0.4 2,-0.2 -0.946 4.6-144.0-109.7 133.8 -1.8 -10.5 -10.6 40 40 A S E - d 0 63B 9 -27,-1.9 2,-0.3 -2,-0.4 -24,-0.2 -0.618 13.1-163.1 -81.7 156.5 -1.4 -14.2 -10.5 41 41 A Y E - d 0 64B 20 22,-1.9 24,-2.7 -2,-0.2 -24,-0.1 -0.989 17.4-134.4-140.7 149.8 -4.4 -16.5 -9.9 42 42 A Q S S+ 0 0 106 -2,-0.3 2,-0.3 22,-0.2 -1,-0.1 0.833 77.5 8.0 -76.3 -38.3 -4.3 -20.1 -8.9 43 43 A A > - 0 0 28 22,-0.1 3,-2.0 21,-0.1 4,-0.1 -0.973 69.4-114.1-149.5 148.1 -6.8 -22.0 -11.1 44 44 A E G > S+ 0 0 104 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.819 111.6 66.6 -64.0 -27.2 -8.9 -21.1 -14.2 45 45 A R G 3 S+ 0 0 207 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.706 99.1 56.3 -64.1 -14.6 -12.2 -21.5 -12.2 46 46 A L G <> S+ 0 0 36 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.356 74.0 103.1 -97.3 3.0 -11.0 -18.4 -10.2 47 47 A R H <> S+ 0 0 76 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.887 77.9 54.2 -52.9 -42.2 -10.6 -16.2 -13.3 48 48 A P H > S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.933 109.8 47.0 -60.1 -44.6 -13.9 -14.3 -12.5 49 49 A E H > S+ 0 0 76 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.905 113.0 49.6 -56.0 -47.4 -12.7 -13.5 -9.0 50 50 A A H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.864 107.3 54.1 -65.4 -41.3 -9.3 -12.4 -10.4 51 51 A E H X S+ 0 0 94 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.896 106.7 51.9 -58.5 -42.1 -11.0 -10.2 -13.0 52 52 A K H X S+ 0 0 143 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.859 109.7 49.9 -65.7 -34.4 -12.9 -8.4 -10.3 53 53 A L H X S+ 0 0 9 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.914 109.2 51.4 -64.7 -42.7 -9.7 -7.8 -8.4 54 54 A A H <>S+ 0 0 10 -4,-2.3 5,-2.9 1,-0.2 3,-0.3 0.912 111.4 47.0 -63.1 -41.9 -8.0 -6.4 -11.6 55 55 A E H ><5S+ 0 0 143 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.893 107.4 56.5 -68.2 -37.7 -11.0 -4.0 -12.1 56 56 A A H 3<5S+ 0 0 44 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.767 107.5 50.6 -62.8 -25.0 -10.9 -2.9 -8.4 57 57 A L T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.436 122.2-107.8 -86.0 -4.0 -7.2 -2.0 -9.0 58 58 A G T < 5S- 0 0 65 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.731 87.5 -18.4 73.8 27.0 -8.1 0.1 -12.1 59 59 A G < + 0 0 37 -5,-2.9 -22,-0.4 -6,-0.2 2,-0.3 0.116 66.5 173.0 117.3 130.8 -6.6 -2.5 -14.4 60 60 A A - 0 0 21 -24,-0.1 -22,-0.2 -9,-0.1 2,-0.1 -0.931 32.4-114.6-159.5 146.0 -4.1 -5.3 -14.0 61 61 A L E -d 38 0B 64 -24,-1.7 -22,-3.0 -2,-0.3 2,-0.4 -0.489 33.4-141.6 -76.2 152.5 -2.8 -8.1 -16.2 62 62 A L E +d 39 0B 25 -24,-0.2 2,-0.4 -2,-0.1 -22,-0.2 -0.967 19.5 180.0-124.9 137.8 -3.7 -11.6 -15.1 63 63 A F E -d 40 0B 35 -24,-2.0 -22,-1.9 -2,-0.4 2,-0.4 -0.991 22.0-134.0-139.1 129.2 -1.7 -14.8 -15.2 64 64 A R E +d 41 0B 122 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.666 41.1 140.1 -83.0 125.8 -2.7 -18.3 -14.1 65 65 A A - 0 0 4 -24,-2.7 2,-0.5 -2,-0.4 -22,-0.1 -0.838 40.4-147.6-164.5 136.5 -0.2 -20.3 -12.0 66 66 A D > - 0 0 31 -2,-0.3 3,-2.0 3,-0.1 7,-0.3 -0.913 22.8-140.2 -98.6 126.1 -0.2 -22.7 -9.0 67 67 A V T 3 S+ 0 0 15 -2,-0.5 -1,-0.1 1,-0.3 60,-0.1 0.533 98.3 64.8 -73.3 -3.8 3.0 -22.1 -7.0 68 68 A T T 3 S+ 0 0 27 1,-0.1 2,-0.7 59,-0.0 -1,-0.3 0.478 90.3 78.3 -88.7 -4.3 3.3 -25.9 -6.4 69 69 A Q <> - 0 0 94 -3,-2.0 4,-2.3 1,-0.2 3,-0.3 -0.893 61.1-166.4-115.2 104.4 3.8 -26.5 -10.2 70 70 A D H > S+ 0 0 54 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.872 90.1 52.7 -58.7 -37.8 7.2 -25.7 -11.5 71 71 A E H > S+ 0 0 169 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 108.7 50.0 -65.9 -39.7 6.1 -25.8 -15.1 72 72 A E H > S+ 0 0 55 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.873 109.6 51.0 -66.3 -40.5 3.2 -23.4 -14.4 73 73 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -7,-0.3 -2,-0.2 0.909 108.4 52.7 -65.0 -38.5 5.7 -21.0 -12.7 74 74 A D H X S+ 0 0 81 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.949 111.4 46.0 -56.9 -47.7 7.9 -21.2 -15.8 75 75 A A H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.898 110.0 55.2 -65.5 -41.1 5.0 -20.3 -18.0 76 76 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.939 110.5 44.4 -52.6 -50.8 3.9 -17.4 -15.7 77 77 A F H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.832 110.3 53.9 -72.4 -30.7 7.4 -15.8 -15.8 78 78 A A H X S+ 0 0 60 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.904 111.3 47.9 -63.7 -40.7 7.6 -16.3 -19.6 79 79 A G H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 112.4 47.7 -65.9 -44.0 4.2 -14.4 -19.8 80 80 A V H X>S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.6 0.924 111.1 51.3 -60.8 -44.3 5.4 -11.7 -17.5 81 81 A K H X5S+ 0 0 130 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.910 112.5 46.3 -59.4 -44.4 8.6 -11.3 -19.5 82 82 A E H <5S+ 0 0 166 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.917 118.1 42.5 -66.0 -44.6 6.7 -11.0 -22.8 83 83 A A H <5S+ 0 0 52 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 132.6 16.9 -66.6 -46.4 4.2 -8.5 -21.3 84 84 A F H <5S- 0 0 18 -4,-3.1 2,-1.0 -5,-0.2 -3,-0.2 0.622 82.7-139.2-107.5 -22.5 6.6 -6.3 -19.3 85 85 A G S <> - 0 0 14 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.190 29.4-120.8 -53.5 144.2 -4.3 -27.4 5.5 99 99 A R H 3> S+ 0 0 186 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.890 112.2 56.8 -51.0 -43.6 -7.3 -27.0 7.8 100 100 A E H 34 S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.2 13,-0.0 0.855 106.3 50.7 -62.6 -34.1 -6.5 -30.3 9.6 101 101 A A H <4 S+ 0 0 2 -3,-0.7 58,-0.3 1,-0.2 -1,-0.3 0.848 111.6 47.3 -68.8 -35.0 -3.0 -28.9 10.5 102 102 A M H < S+ 0 0 6 -4,-1.6 2,-0.3 -3,-0.3 -2,-0.2 0.744 99.8 76.9 -84.4 -23.6 -4.5 -25.7 11.8 103 103 A E S < S- 0 0 89 -4,-2.1 53,-0.0 -5,-0.2 2,-0.0 -0.599 103.1 -6.3 -80.1 145.3 -7.1 -27.4 14.0 104 104 A G S S- 0 0 53 -2,-0.3 2,-0.2 3,-0.0 52,-0.1 -0.356 109.9 -10.4 67.5-151.1 -5.8 -28.9 17.2 105 105 A R > - 0 0 82 1,-0.1 3,-0.9 53,-0.1 4,-0.1 -0.534 44.1-134.2 -98.7 147.5 -2.1 -29.1 18.1 106 106 A Y G > S+ 0 0 0 1,-0.2 3,-2.0 -2,-0.2 -1,-0.1 0.891 108.0 60.0 -58.7 -41.6 1.1 -28.5 16.3 107 107 A I G 3 S+ 0 0 0 1,-0.3 -1,-0.2 575,-0.2 532,-0.2 0.767 102.1 54.4 -60.1 -23.3 2.6 -31.7 17.7 108 108 A D G < S+ 0 0 69 -3,-0.9 -1,-0.3 -7,-0.1 -2,-0.2 0.290 77.0 133.9 -93.9 6.4 -0.2 -33.6 16.0 109 109 A T < - 0 0 3 -3,-2.0 2,-0.2 -4,-0.1 530,-0.1 -0.387 55.6-126.1 -62.3 130.3 0.5 -32.2 12.5 110 110 A R > - 0 0 153 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.524 17.3-116.7 -78.4 151.6 0.5 -34.9 9.8 111 111 A R H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 111.1 44.3 -56.1 -52.2 3.5 -35.2 7.5 112 112 A Q H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 114.8 50.3 -66.2 -35.0 1.9 -34.4 4.2 113 113 A D H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 111.1 48.9 -67.0 -43.8 -0.0 -31.5 5.7 114 114 A W H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.937 112.2 48.1 -62.4 -46.3 3.2 -30.0 7.2 115 115 A L H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.895 110.6 50.9 -64.7 -39.1 5.1 -30.4 4.0 116 116 A L H X S+ 0 0 59 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.903 109.1 51.1 -66.8 -40.0 2.4 -28.7 1.9 117 117 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -21,-0.3 0.933 114.2 43.5 -61.7 -47.2 2.2 -25.8 4.3 118 118 A L H X>S+ 0 0 0 -4,-2.3 5,-2.4 3,-0.2 4,-2.1 0.898 114.1 52.5 -63.3 -37.4 6.0 -25.3 4.0 119 119 A E H <>S+ 0 0 28 -4,-2.8 5,-1.3 3,-0.2 -2,-0.2 0.948 119.1 32.3 -63.3 -50.8 5.9 -25.8 0.3 120 120 A V H <5S+ 0 0 18 -4,-2.9 -2,-0.2 -24,-0.2 -1,-0.2 0.905 126.8 39.3 -76.9 -39.6 3.2 -23.2 -0.4 121 121 A S H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -25,-0.4 -2,-0.2 0.744 134.0 10.2 -86.9 -27.6 4.0 -20.7 2.4 122 122 A A T >X5S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 4,-0.9 0.729 123.2 51.2-118.5 -54.3 7.9 -20.8 2.3 123 123 A Y H >> S+ 0 0 0 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.914 109.4 44.9 -63.4 -42.0 9.3 -17.5 -2.2 126 126 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-1.4 0.764 90.8 83.9 -69.7 -30.5 12.1 -13.3 -11.1 133 133 A E T 3< S+ 0 0 24 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.867 90.7 43.5 -46.5 -55.7 15.9 -12.9 -10.8 134 134 A P T 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.685 118.5 46.8 -66.4 -17.5 16.8 -12.5 -14.5 135 135 A L T <4 S+ 0 0 17 -3,-1.4 -48,-2.2 -4,-0.3 2,-0.2 0.718 88.6 101.6 -88.9 -28.1 13.8 -10.2 -15.0 136 136 A L E < -e 87 0B 11 -4,-2.0 -48,-0.2 -3,-0.3 2,-0.2 -0.446 63.0-144.7 -74.1 128.3 14.4 -7.9 -12.0 137 137 A R E > - 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0 0 20 -3,-1.4 4,-1.9 1,-0.2 5,-0.1 -0.293 69.2-137.5 -51.1 134.5 24.9 14.5 10.8 279 22 B L H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 109.8 60.3 -62.2 -31.8 22.3 11.8 10.1 280 23 B G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.870 100.4 51.6 -58.4 -39.9 20.1 14.2 12.0 281 24 B F H > S+ 0 0 15 -6,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.932 106.2 56.0 -63.6 -42.2 20.7 16.9 9.4 282 25 B A H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.891 110.4 43.9 -54.2 -45.0 19.7 14.4 6.7 283 26 B I H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.923 112.4 51.5 -69.9 -42.1 16.4 13.8 8.4 284 27 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.903 107.9 54.2 -58.6 -40.5 15.8 17.6 9.0 285 28 B A H X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.906 110.2 45.8 -63.5 -45.0 16.6 18.2 5.2 286 29 B K H X S+ 0 0 25 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.892 110.7 52.7 -65.7 -37.8 13.9 15.7 4.2 287 30 B L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.7 0.927 111.6 46.4 -61.0 -48.7 11.4 17.1 6.6 288 31 B K H ><5S+ 0 0 45 -4,-2.7 3,-1.0 3,-0.2 -2,-0.2 0.900 111.7 51.5 -54.1 -48.9 12.0 20.6 5.1 289 32 B E H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.890 107.7 52.6 -61.1 -36.7 11.7 19.2 1.6 290 33 B A H 3<5S- 0 0 0 -4,-2.2 -27,-2.7 -5,-0.1 -26,-0.5 0.614 128.3 -98.0 -77.0 -12.5 8.4 17.6 2.6 291 34 B G T <<5S+ 0 0 29 -3,-1.0 -26,-0.6 -4,-0.7 -3,-0.2 0.434 75.5 135.5 116.6 0.7 7.1 21.0 3.8 292 35 B A < - 0 0 2 -5,-2.4 2,-0.4 -28,-0.2 -1,-0.3 -0.433 52.5-121.9 -78.9 159.5 7.6 21.0 7.6 293 36 B E E -j 267 0E 101 -27,-2.6 -25,-2.7 -30,-0.2 2,-0.4 -0.816 32.1-151.7 -96.3 140.4 9.0 23.8 9.7 294 37 B V E -j 268 0E 0 -2,-0.4 24,-2.2 22,-0.3 2,-0.4 -0.896 16.9-164.9-122.1 139.0 12.1 22.9 11.7 295 38 B A E -jl 269 318E 0 -27,-2.5 -25,-2.9 -2,-0.4 2,-0.4 -0.969 15.0-157.3-114.1 137.6 13.7 24.1 15.0 296 39 B L E -jl 270 319E 3 22,-3.1 24,-2.0 -2,-0.4 2,-0.2 -0.964 5.4-145.1-114.7 130.9 17.3 23.1 15.7 297 40 B S E - l 0 320E 10 -27,-1.8 2,-0.3 -2,-0.4 -24,-0.3 -0.612 12.7-166.0 -84.6 154.4 18.8 23.0 19.1 298 41 B Y E - l 0 321E 18 22,-2.0 24,-2.7 -2,-0.2 3,-0.1 -0.981 21.7-127.9-141.0 152.4 22.4 23.9 19.8 299 42 B Q S S- 0 0 90 -2,-0.3 2,-0.3 22,-0.2 -1,-0.1 0.840 76.9 -5.7 -74.0 -37.0 24.4 23.2 22.9 300 43 B A S > S- 0 0 22 22,-0.1 3,-2.2 21,-0.1 4,-0.2 -0.978 70.7-100.2-161.0 158.5 25.9 26.5 23.9 301 44 B E G > S+ 0 0 107 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.798 115.6 65.9 -63.0 -29.9 26.2 30.1 22.7 302 45 B R G 3 S+ 0 0 175 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.723 102.3 50.6 -58.0 -25.6 29.8 29.5 21.4 303 46 B L G <> S+ 0 0 54 -3,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.328 79.2 101.1 -94.9 6.0 28.2 27.1 18.9 304 47 B R H <> S+ 0 0 75 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.891 75.7 58.4 -63.6 -36.8 25.6 29.6 17.7 305 48 B P H > S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.918 108.0 44.7 -58.6 -42.1 27.5 30.5 14.5 306 49 B E H > S+ 0 0 65 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.895 112.0 53.7 -69.2 -35.1 27.6 26.9 13.3 307 50 B A H X S+ 0 0 6 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.886 107.1 51.5 -63.0 -41.0 23.9 26.5 14.2 308 51 B E H X S+ 0 0 103 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.884 109.0 50.9 -62.3 -40.6 23.2 29.6 12.1 309 52 B K H X S+ 0 0 125 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.924 110.5 48.6 -61.7 -46.4 25.1 28.0 9.2 310 53 B L H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.917 109.4 52.8 -60.4 -43.4 23.1 24.8 9.5 311 54 B A H <>S+ 0 0 10 -4,-2.5 5,-2.8 1,-0.2 -1,-0.2 0.900 111.3 46.5 -59.3 -41.3 19.8 26.7 9.6 312 55 B E H ><5S+ 0 0 157 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.899 107.7 56.8 -67.2 -40.0 20.8 28.5 6.4 313 56 B A H 3<5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.808 106.0 51.7 -59.9 -29.2 21.8 25.2 4.8 314 57 B L T 3<5S- 0 0 15 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.507 122.0-107.6 -83.4 -3.7 18.2 23.9 5.5 315 58 B G T < 5S- 0 0 65 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.690 87.9 -18.8 80.9 20.1 16.7 27.0 3.8 316 59 B G < + 0 0 32 -5,-2.8 -22,-0.3 -6,-0.2 2,-0.3 0.121 67.9 167.9 117.2 128.3 15.6 28.4 7.2 317 60 B A - 0 0 25 -24,-0.1 2,-0.3 -9,-0.1 -22,-0.2 -0.968 34.3-109.9-160.6 158.3 15.1 27.1 10.7 318 61 B L E -l 295 0E 70 -24,-2.2 -22,-3.1 -2,-0.3 2,-0.4 -0.706 33.0-143.6 -93.1 144.3 14.5 28.4 14.2 319 62 B L E -l 296 0E 20 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.880 17.5-179.6-113.1 143.9 17.4 28.0 16.7 320 63 B F E -l 297 0E 32 -24,-2.0 -22,-2.0 -2,-0.4 2,-0.5 -0.995 22.5-132.2-139.0 137.7 17.2 27.3 20.5 321 64 B R E +l 298 0E 123 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.740 41.7 140.0 -87.9 125.0 20.1 26.9 23.0 322 65 B A - 0 0 4 -24,-2.7 2,-0.5 -2,-0.5 -22,-0.1 -0.858 39.9-147.8-162.6 135.8 20.1 23.9 25.3 323 66 B D > - 0 0 34 -2,-0.3 3,-2.1 3,-0.1 7,-0.3 -0.898 23.7-139.1 -96.4 125.4 22.6 21.5 26.8 324 67 B V T 3 S+ 0 0 16 -2,-0.5 -1,-0.1 1,-0.3 60,-0.1 0.574 99.2 64.3 -71.8 -7.1 20.8 18.1 27.3 325 68 B T T 3 S+ 0 0 26 1,-0.1 2,-0.7 59,-0.0 -1,-0.3 0.506 91.0 78.4 -82.1 -9.0 22.5 17.6 30.6 326 69 B Q <> - 0 0 93 -3,-2.1 4,-2.2 1,-0.2 3,-0.4 -0.866 61.0-166.7-111.6 106.4 20.7 20.6 32.0 327 70 B D H > S+ 0 0 55 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.844 89.7 52.0 -59.3 -40.1 17.1 20.2 33.0 328 71 B E H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.865 109.4 51.2 -61.6 -40.6 16.4 24.0 33.3 329 72 B E H > S+ 0 0 47 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.874 109.3 49.4 -69.6 -37.8 17.8 24.5 29.9 330 73 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 -7,-0.3 -2,-0.2 0.899 110.0 52.1 -62.6 -39.3 15.6 21.8 28.4 331 74 B D H X S+ 0 0 75 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.934 110.8 47.1 -61.4 -43.2 12.6 23.4 30.2 332 75 B A H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.882 110.1 54.6 -65.4 -37.9 13.5 26.8 28.6 333 76 B L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.938 110.6 44.0 -60.3 -50.7 13.9 25.1 25.2 334 77 B F H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.824 110.5 53.9 -72.0 -29.0 10.5 23.6 25.3 335 78 B A H X S+ 0 0 60 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.911 111.0 48.7 -63.1 -44.0 8.9 26.8 26.6 336 79 B G H X S+ 0 0 21 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.890 111.6 48.6 -59.0 -45.7 10.5 28.5 23.5 337 80 B V H X>S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.7 0.943 110.1 51.6 -62.0 -45.1 9.2 25.8 21.2 338 81 B K H X5S+ 0 0 129 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.906 112.6 45.5 -59.3 -43.2 5.7 26.1 22.6 339 82 B E H <5S+ 0 0 182 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 119.9 39.3 -70.2 -38.4 5.7 29.9 22.2 340 83 B A H <5S+ 0 0 54 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.737 133.1 19.7 -81.4 -31.4 7.1 29.8 18.6 341 84 B F H <5S- 0 0 25 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.589 85.1-138.4-114.4 -23.7 5.2 26.7 17.2 342 85 B G S < - 0 0 13 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.209 31.2-120.5 -53.3 145.3 34.2 10.9 26.4 356 99 B R H > S+ 0 0 164 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.877 113.0 57.6 -57.1 -38.2 37.3 10.3 24.2 357 100 B E H >4 S+ 0 0 94 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.888 104.7 51.0 -61.8 -42.0 38.9 8.4 27.1 358 101 B A H 34 S+ 0 0 3 -3,-0.4 58,-0.3 1,-0.2 -1,-0.2 0.842 109.7 50.6 -62.8 -34.9 36.0 6.0 27.3 359 102 B M H 3< S+ 0 0 58 -4,-1.5 2,-0.4 -3,-0.2 -1,-0.2 0.554 98.7 78.2 -85.0 -9.5 36.3 5.3 23.6 360 103 B E S << S- 0 0 104 -4,-0.8 2,-0.2 -3,-0.7 53,-0.0 -0.867 101.2 -7.9 -96.1 135.4 40.1 4.7 23.8 361 104 B G S S- 0 0 55 -2,-0.4 2,-0.2 5,-0.0 52,-0.1 -0.556 109.0 -13.3 83.0-147.9 41.1 1.3 25.0 362 105 B R > - 0 0 79 -2,-0.2 3,-0.8 1,-0.1 -2,-0.1 -0.600 45.2-131.6-103.7 149.4 38.8 -1.3 26.5 363 106 B Y G > S+ 0 0 0 1,-0.2 3,-2.2 -2,-0.2 -1,-0.1 0.894 109.0 61.0 -59.7 -42.6 35.2 -1.2 27.7 364 107 B I G 3 S+ 0 0 0 1,-0.3 -1,-0.2 577,-0.2 534,-0.2 0.754 102.2 55.1 -57.0 -24.2 36.2 -3.0 30.9 365 108 B D G < S+ 0 0 72 -3,-0.8 -1,-0.3 -7,-0.1 -2,-0.2 0.363 76.7 134.2 -92.8 7.5 38.5 -0.0 31.6 366 109 B T < - 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