==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ANTIBIOTIC 08-MAR-11 3R0I . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR C.T.BEHRENDT,A.KUNFERMANN,V.ILLARIONOVA,A.MATHEEUSSEN,M.K.PE . 786 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 4.8 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 . 2 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 . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 0 0 4 6 0 2 6 3 1 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 8 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 . 3 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 0 1 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 0 104 0, 0.0 2,-0.4 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 114.0 -14.2 11.3 19.5 2 2 A K E -a 28 0A 68 25,-2.6 27,-2.3 93,-0.1 2,-0.4 -0.666 360.0-150.5 -79.4 128.4 -13.3 8.0 21.3 3 3 A Q E -a 29 0A 33 -2,-0.4 92,-2.4 25,-0.2 93,-2.2 -0.862 17.9-156.0-101.6 134.6 -15.9 7.0 23.9 4 4 A L E -ab 30 96A 0 25,-2.7 27,-3.0 -2,-0.4 28,-1.5 -0.875 24.0-164.0-119.5 141.2 -14.6 5.0 26.9 5 5 A T E -ab 32 97A 0 91,-2.2 93,-2.3 -2,-0.4 2,-0.7 -0.984 21.5-154.9-108.0 125.7 -15.8 2.5 29.5 6 6 A I E > -ab 33 98A 0 26,-2.8 28,-2.3 -2,-0.5 2,-0.7 -0.913 2.4-159.5-104.5 111.2 -13.3 2.2 32.3 7 7 A L E 3 S+ab 34 99A 0 91,-2.8 93,-1.9 -2,-0.7 28,-0.2 -0.833 83.4 15.6 -84.0 114.1 -13.4 -1.1 34.1 8 8 A G T > S+ 0 0 14 26,-2.4 3,-1.1 -2,-0.7 6,-0.6 0.890 75.9 171.5 94.8 49.8 -11.7 -0.5 37.5 9 9 A S T < + 0 0 0 25,-2.9 9,-0.2 -3,-0.6 26,-0.2 0.710 66.9 56.3 -69.5 -24.4 -11.7 3.3 37.5 10 10 A T T 3 S+ 0 0 34 24,-0.2 -1,-0.2 4,-0.2 25,-0.1 0.517 88.2 86.6 -92.5 -3.2 -10.5 3.8 41.1 11 11 A G S <> S- 0 0 40 -3,-1.1 4,-2.6 1,-0.1 5,-0.2 -0.222 99.0 -91.1 -79.9 179.3 -7.2 1.8 41.0 12 12 A S H > S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.931 127.2 50.4 -63.6 -38.2 -3.9 3.4 39.8 13 13 A I H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.934 111.6 48.1 -65.0 -45.7 -4.5 2.3 36.2 14 14 A G H > S+ 0 0 0 -6,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.905 113.5 46.7 -58.5 -44.6 -8.0 3.8 36.2 15 15 A C H X S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.903 112.9 49.7 -64.5 -42.6 -6.8 7.1 37.7 16 16 A S H X S+ 0 0 28 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.876 109.6 51.1 -63.8 -38.5 -3.9 7.2 35.2 17 17 A T H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.952 109.5 51.9 -63.8 -41.9 -6.4 6.5 32.3 18 18 A L H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.823 103.7 57.0 -62.2 -33.6 -8.5 9.4 33.6 19 19 A D H X S+ 0 0 26 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.906 106.8 49.2 -63.6 -40.4 -5.5 11.7 33.7 20 20 A V H X S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.941 113.4 46.4 -59.7 -44.3 -5.0 11.0 29.9 21 21 A V H >< S+ 0 0 7 -4,-2.1 3,-1.6 2,-0.2 7,-0.3 0.937 108.5 56.5 -61.6 -47.4 -8.7 11.7 29.3 22 22 A R H 3< S+ 0 0 94 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.893 112.9 40.7 -56.6 -43.7 -8.5 14.9 31.5 23 23 A H H 3< S+ 0 0 110 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.444 119.0 46.4 -86.4 1.6 -5.7 16.3 29.4 24 24 A N XX + 0 0 8 -3,-1.6 3,-2.0 -4,-0.5 4,-1.7 -0.318 61.4 149.6-133.6 53.5 -7.2 15.2 26.0 25 25 A P T 34 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.704 72.3 59.9 -67.7 -15.5 -10.9 16.2 26.2 26 26 A E T 34 S+ 0 0 115 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.702 114.3 34.7 -81.2 -15.5 -11.1 16.7 22.5 27 27 A H T <4 S+ 0 0 79 -3,-2.0 -25,-2.6 1,-0.2 2,-0.3 0.732 117.7 39.2-110.3 -24.3 -10.2 13.1 21.9 28 28 A F E < -a 2 0A 6 -4,-1.7 2,-0.4 -7,-0.3 -1,-0.2 -0.989 50.3-177.8-135.3 144.6 -11.8 11.1 24.7 29 29 A R E -a 3 0A 121 -27,-2.3 -25,-2.7 -2,-0.3 2,-0.6 -0.995 25.6-128.5-139.6 138.1 -15.0 11.1 26.6 30 30 A V E +a 4 0A 6 19,-0.4 -25,-0.2 -2,-0.4 22,-0.1 -0.790 27.4 170.7 -93.8 123.7 -16.0 8.8 29.4 31 31 A V E + 0 0 13 -27,-3.0 22,-2.0 -2,-0.6 21,-1.7 0.797 67.8 15.8 -93.6 -40.6 -19.3 7.0 29.1 32 32 A A E -ac 5 53A 0 -28,-1.5 -26,-2.8 20,-0.2 2,-0.4 -1.000 55.8-163.5-140.7 140.3 -19.1 4.5 31.9 33 33 A L E -ac 6 54A 0 20,-2.1 22,-2.2 -2,-0.4 2,-0.4 -0.967 10.5-170.7-119.3 134.7 -17.0 4.1 35.1 34 34 A V E +ac 7 55A 4 -28,-2.3 -25,-2.9 -2,-0.4 -26,-2.4 -0.999 17.2 151.0-124.1 131.3 -17.0 0.8 36.9 35 35 A A - 0 0 7 20,-2.7 4,-0.0 -2,-0.4 50,-0.0 -0.673 39.8-115.7-138.9-162.3 -15.4 0.3 40.3 36 36 A G S S- 0 0 18 -2,-0.2 21,-2.7 20,-0.2 22,-0.4 0.755 75.9 -40.1-109.9 -89.5 -15.7 -1.8 43.5 37 37 A K S S+ 0 0 124 19,-0.2 2,-2.1 20,-0.1 3,-0.2 0.401 93.4 115.8-131.0 2.6 -16.6 -0.2 46.8 38 38 A N > + 0 0 71 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.445 32.4 165.5 -80.3 82.4 -14.6 3.0 46.8 39 39 A V H > + 0 0 15 -2,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.872 66.9 56.3 -65.8 -42.3 -17.6 5.4 46.8 40 40 A T H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 111.0 40.9 -63.0 -49.9 -15.6 8.5 47.6 41 41 A R H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 113.3 55.9 -67.2 -38.6 -13.2 8.4 44.8 42 42 A M H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.915 103.6 55.6 -58.7 -41.6 -16.0 7.3 42.4 43 43 A V H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.952 109.0 46.6 -52.3 -51.6 -18.0 10.5 43.4 44 44 A E H X S+ 0 0 104 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.865 112.8 48.6 -61.6 -42.1 -15.1 12.7 42.4 45 45 A Q H X S+ 0 0 10 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.923 111.4 49.4 -66.0 -44.9 -14.6 10.9 39.1 46 46 A C H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.930 112.8 48.6 -60.5 -39.4 -18.3 11.1 38.2 47 47 A L H < S+ 0 0 58 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.875 117.2 40.5 -71.0 -37.0 -18.3 14.8 39.0 48 48 A E H < S+ 0 0 100 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.942 128.1 29.2 -73.3 -43.3 -15.2 15.6 37.0 49 49 A F H < S- 0 0 30 -4,-3.1 -19,-0.4 -5,-0.2 -2,-0.2 0.498 85.5-145.4 -99.8 -5.8 -16.0 13.3 34.0 50 50 A S < - 0 0 88 -4,-1.8 -4,-0.1 -5,-0.3 -3,-0.1 0.803 25.1-173.8 38.5 51.4 -19.8 13.2 33.8 51 51 A P - 0 0 3 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.269 31.1-126.7 -63.9 161.8 -20.1 9.6 32.6 52 52 A R S S+ 0 0 142 -21,-1.7 25,-2.9 1,-0.2 2,-0.3 0.854 91.0 26.9 -72.9 -34.4 -23.6 8.4 31.7 53 53 A Y E -cd 32 77A 34 -22,-2.0 -20,-2.1 23,-0.2 2,-0.4 -0.954 57.0-171.5-129.6 148.1 -23.2 5.4 34.0 54 54 A A E -cd 33 78A 0 23,-2.6 25,-3.1 -2,-0.3 2,-0.4 -1.000 12.8-163.5-133.6 138.3 -21.3 4.4 37.2 55 55 A V E -cd 34 79A 1 -22,-2.2 -20,-2.7 -2,-0.4 25,-0.2 -0.976 4.5-172.3-123.2 135.6 -21.3 0.8 38.5 56 56 A M E - d 0 80A 1 23,-1.9 25,-2.1 -2,-0.4 -20,-0.2 -0.681 37.2-105.0-114.5 170.8 -20.3 -0.4 42.0 57 57 A D S S+ 0 0 80 -21,-2.7 2,-0.3 -2,-0.2 25,-0.2 0.857 93.1 9.9 -63.0 -41.0 -19.8 -4.0 43.3 58 58 A D S > S- 0 0 56 -22,-0.4 4,-2.3 22,-0.1 5,-0.2 -0.849 76.6-100.7-143.9 170.4 -23.0 -4.1 45.4 59 59 A E H > S+ 0 0 119 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.853 115.6 58.7 -66.7 -33.4 -26.2 -2.5 46.2 60 60 A A H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 112.1 39.9 -61.6 -45.5 -24.8 -0.9 49.5 61 61 A S H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 114.4 53.7 -69.0 -41.9 -22.1 1.0 47.6 62 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.922 108.4 49.5 -59.8 -45.8 -24.4 1.9 44.7 63 63 A K H X S+ 0 0 142 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.899 112.0 47.4 -61.5 -42.7 -26.9 3.4 47.2 64 64 A L H X S+ 0 0 100 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.928 113.3 49.3 -58.5 -46.3 -24.2 5.5 48.9 65 65 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.944 109.4 51.6 -61.3 -47.6 -22.9 6.6 45.6 66 66 A K H X S+ 0 0 94 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.896 110.6 48.7 -52.6 -47.9 -26.4 7.5 44.4 67 67 A T H X S+ 0 0 82 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.940 114.8 43.9 -64.2 -47.9 -27.0 9.7 47.5 68 68 A M H X S+ 0 0 69 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.862 114.5 48.5 -64.2 -40.1 -23.7 11.5 47.2 69 69 A L H ><>S+ 0 0 3 -4,-3.0 5,-2.2 2,-0.2 3,-0.8 0.952 112.2 51.0 -66.6 -45.1 -24.0 12.1 43.4 70 70 A Q H ><5S+ 0 0 146 -4,-2.9 3,-2.2 -5,-0.3 -2,-0.2 0.930 104.4 55.1 -56.7 -54.5 -27.5 13.3 44.0 71 71 A Q H 3<5S+ 0 0 144 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.786 111.9 47.1 -40.3 -36.7 -26.4 15.8 46.7 72 72 A Q T <<5S- 0 0 120 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.372 117.2-112.7 -96.9 3.7 -23.9 17.2 44.1 73 73 A G T < 5 + 0 0 57 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.521 57.8 162.5 81.2 10.0 -26.5 17.4 41.3 74 74 A S < - 0 0 28 -5,-2.2 -1,-0.2 -6,-0.2 -27,-0.1 -0.290 35.0-155.9 -68.6 145.7 -24.9 14.7 39.1 75 75 A R + 0 0 236 -24,-0.1 -1,-0.1 2,-0.1 -5,-0.1 0.464 51.8 128.3 -93.9 -4.8 -26.9 13.1 36.3 76 76 A T - 0 0 15 1,-0.1 2,-0.4 -23,-0.1 -23,-0.2 -0.290 58.0-132.6 -55.0 133.7 -24.8 9.9 36.3 77 77 A E E -d 53 0A 100 -25,-2.9 -23,-2.6 -26,-0.1 2,-0.4 -0.789 18.8-139.9 -91.6 133.0 -26.9 6.9 36.6 78 78 A V E +d 54 0A 10 -2,-0.4 2,-0.2 -25,-0.2 -23,-0.2 -0.756 26.5 165.0-104.8 128.0 -25.8 4.3 39.2 79 79 A L E -d 55 0A 50 -25,-3.1 -23,-1.9 -2,-0.4 2,-0.3 -0.785 15.0-152.2-124.4 175.6 -25.9 0.6 38.7 80 80 A S E +d 56 0A 31 -25,-0.2 4,-0.4 -2,-0.2 -23,-0.2 -0.997 39.3 36.1-148.5 157.5 -24.3 -2.4 40.5 81 81 A G S > S- 0 0 24 -25,-2.1 4,-1.6 -2,-0.3 -23,-0.1 -0.062 84.8 -64.7 98.4 168.4 -23.1 -6.0 40.2 82 82 A Q H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 124.3 53.9 -59.4 -47.1 -21.3 -8.1 37.6 83 83 A Q H > S+ 0 0 135 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.906 108.3 51.8 -58.7 -40.5 -23.9 -8.1 34.8 84 84 A A H > S+ 0 0 11 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.889 108.3 51.4 -66.5 -38.5 -24.0 -4.3 34.8 85 85 A A H X S+ 0 0 7 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.911 110.7 47.3 -64.7 -45.0 -20.3 -4.2 34.5 86 86 A C H X S+ 0 0 15 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.918 109.9 55.9 -55.2 -43.8 -20.4 -6.6 31.4 87 87 A D H < S+ 0 0 77 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.841 106.7 47.4 -59.4 -41.6 -23.2 -4.4 30.0 88 88 A M H >< S+ 0 0 6 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.822 109.0 55.8 -69.1 -32.2 -20.9 -1.2 30.2 89 89 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.749 114.9 39.2 -70.0 -20.5 -18.1 -3.1 28.6 90 90 A A T 3< S+ 0 0 42 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.298 81.3 145.1-110.7 6.0 -20.5 -3.9 25.7 91 91 A L X - 0 0 31 -3,-0.8 3,-1.4 -4,-0.2 -3,-0.1 -0.172 53.8-124.2 -55.6 141.4 -22.3 -0.6 25.4 92 92 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 3,-0.0 -4,-0.0 0.859 105.0 39.5 -56.7 -46.4 -23.2 0.3 21.8 93 93 A D T 3 S+ 0 0 81 -89,-0.0 2,-0.4 -62,-0.0 -1,-0.3 0.384 89.0 108.8 -96.5 14.1 -21.6 3.6 21.5 94 94 A V < - 0 0 3 -3,-1.4 -90,-0.2 1,-0.1 3,-0.1 -0.704 41.0-178.3 -80.4 133.1 -18.5 2.8 23.5 95 95 A D + 0 0 70 -92,-2.4 24,-2.1 -2,-0.4 2,-0.4 0.799 66.1 30.3 -92.7 -40.6 -15.3 2.5 21.3 96 96 A Q E -be 4 119A 4 -93,-2.2 -91,-2.2 22,-0.2 2,-0.5 -0.958 57.5-160.6-131.5 141.0 -12.7 1.5 24.0 97 97 A V E -be 5 120A 0 22,-2.6 24,-2.9 -2,-0.4 2,-0.8 -0.979 12.3-149.8-122.4 115.0 -12.8 -0.4 27.2 98 98 A M E -be 6 121A 0 -93,-2.3 -91,-2.8 -2,-0.5 2,-1.4 -0.763 18.1-156.7 -75.8 110.3 -9.9 0.0 29.6 99 99 A A E +be 7 122A 0 22,-2.8 24,-1.7 -2,-0.8 -91,-0.1 -0.658 39.4 141.3 -97.9 78.6 -10.1 -3.5 31.1 100 100 A A + 0 0 13 -93,-1.9 2,-0.6 -2,-1.4 -1,-0.2 0.270 24.8 113.0-107.1 11.6 -8.4 -2.8 34.5 101 101 A I - 0 0 32 5,-0.2 2,-0.1 -3,-0.1 9,-0.1 -0.755 56.9-155.3 -79.6 128.3 -10.5 -5.0 36.9 102 102 A V + 0 0 97 -2,-0.6 3,-0.5 3,-0.1 4,-0.2 -0.436 45.3 30.2 -99.3 174.0 -8.0 -7.6 38.1 103 103 A G S > S- 0 0 20 1,-0.2 3,-1.7 2,-0.2 4,-0.3 -0.194 116.7 -40.7 76.0-172.6 -8.3 -11.1 39.5 104 104 A A G >> S+ 0 0 44 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.781 132.8 70.0 -57.2 -29.0 -11.1 -13.5 38.5 105 105 A A G 34 S+ 0 0 59 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.711 92.9 57.6 -68.3 -19.3 -13.6 -10.5 38.7 106 106 A G G <> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.2 -1,-0.3 0.645 87.9 80.7 -83.8 -11.6 -12.0 -9.0 35.5 107 107 A L H <> S+ 0 0 4 -3,-1.5 4,-2.8 -4,-0.3 5,-0.2 0.965 93.5 38.2 -65.0 -57.5 -12.7 -12.1 33.4 108 108 A L H X S+ 0 0 57 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.883 117.2 48.9 -65.7 -43.6 -16.4 -11.8 32.4 109 109 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.885 113.8 46.8 -61.3 -40.0 -16.4 -8.0 31.9 110 110 A T H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.937 113.5 49.4 -66.5 -42.8 -13.2 -8.2 29.7 111 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50 B S < - 0 0 92 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.1 0.887 25.3-169.1 49.1 52.2 23.9 -12.2 -14.9 446 51 B P - 0 0 3 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.438 28.4-130.7 -69.7 155.3 22.9 -8.6 -15.1 447 52 B R S S+ 0 0 149 -21,-0.7 25,-2.6 -22,-0.3 2,-0.3 0.895 91.6 27.4 -62.0 -38.3 21.5 -7.3 -18.4 448 53 B Y E -st 427 472D 33 -22,-2.1 -20,-2.0 23,-0.2 2,-0.4 -0.941 56.2-173.5-130.8 146.8 23.8 -4.3 -18.1 449 54 B A E -st 428 473D 0 23,-2.4 25,-2.9 -2,-0.3 2,-0.4 -0.996 13.0-166.3-132.7 134.5 27.2 -3.4 -16.7 450 55 B V E -st 429 474D 2 -22,-2.3 -20,-3.0 -2,-0.4 25,-0.2 -0.988 3.0-171.5-123.8 134.8 28.5 0.2 -16.8 451 56 B M E - t 0 475D 1 23,-2.0 25,-1.8 -2,-0.4 -20,-0.2 -0.711 38.2-103.1-112.0 169.3 32.1 1.3 -16.0 452 57 B D S S+ 0 0 80 -21,-2.9 2,-0.3 -2,-0.2 25,-0.2 0.817 94.6 9.1 -58.9 -39.0 33.5 4.9 -15.7 453 58 B D S > S- 0 0 54 -22,-0.4 4,-2.6 22,-0.1 5,-0.2 -0.928 75.1-102.0-148.3 168.0 35.1 5.0 -19.1 454 59 B E H > S+ 0 0 133 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.842 116.8 55.9 -63.9 -36.4 35.6 3.4 -22.5 455 60 B A H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.933 113.4 41.5 -61.6 -46.1 39.0 2.0 -21.5 456 61 B S H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 114.8 52.4 -66.1 -38.1 37.5 0.2 -18.5 457 62 B A H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.870 107.0 52.1 -65.2 -41.1 34.4 -0.8 -20.5 458 63 B K H X S+ 0 0 145 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.902 109.9 48.7 -63.7 -40.4 36.6 -2.3 -23.3 459 64 B L H X S+ 0 0 106 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.929 113.0 48.2 -61.5 -46.2 38.5 -4.4 -20.7 460 65 B L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.921 110.4 50.9 -61.8 -44.0 35.3 -5.6 -19.1 461 66 B K H X S+ 0 0 111 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.930 111.0 48.7 -62.4 -45.6 33.7 -6.5 -22.5 462 67 B T H X S+ 0 0 81 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.923 114.3 45.7 -57.8 -48.1 36.8 -8.6 -23.5 463 68 B M H X S+ 0 0 77 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.895 114.6 46.0 -70.8 -37.4 36.8 -10.4 -20.2 464 69 B L H <>S+ 0 0 3 -4,-3.0 5,-2.7 2,-0.2 3,-0.4 0.869 110.6 54.5 -69.0 -38.0 33.1 -11.2 -20.2 465 70 B Q H ><5S+ 0 0 132 -4,-2.4 3,-2.1 -5,-0.3 -2,-0.2 0.960 104.7 54.0 -56.8 -49.8 33.2 -12.3 -23.8 466 71 B Q H 3<5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.709 112.3 44.7 -61.1 -24.9 36.0 -14.8 -22.9 467 72 B Q T 3<5S- 0 0 118 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.268 117.5-111.0-100.9 9.1 33.6 -16.3 -20.2 468 73 B G T < 5 + 0 0 65 -3,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.697 57.8 163.4 71.4 22.9 30.5 -16.3 -22.4 469 74 B S < - 0 0 31 -5,-2.7 -1,-0.2 1,-0.1 -27,-0.1 -0.452 33.4-157.5 -70.3 144.6 28.6 -13.6 -20.6 470 75 B R + 0 0 240 -2,-0.1 -1,-0.1 -24,-0.1 -5,-0.1 0.438 51.2 129.5 -95.4 -3.5 25.6 -11.9 -22.3 471 76 B T - 0 0 15 1,-0.1 2,-0.5 -7,-0.1 -23,-0.2 -0.247 57.5-134.4 -54.7 132.1 25.9 -8.8 -20.1 472 77 B E E -t 448 0D 102 -25,-2.6 -23,-2.4 -26,-0.2 2,-0.4 -0.785 18.9-141.6 -92.2 135.7 25.9 -5.7 -22.3 473 78 B V E +t 449 0D 20 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.800 25.0 168.1-108.7 132.3 28.6 -3.2 -21.3 474 79 B L E -t 450 0D 45 -25,-2.9 -23,-2.0 -2,-0.4 2,-0.3 -0.794 14.5-150.4-126.5 169.4 28.3 0.6 -21.3 475 80 B S E +t 451 0D 34 -2,-0.3 4,-0.4 -25,-0.2 -23,-0.2 -0.990 40.5 41.1-139.8 159.4 30.2 3.5 -20.0 476 81 B G S > S- 0 0 26 -25,-1.8 4,-1.5 -2,-0.3 -23,-0.1 -0.121 83.3 -70.4 104.6 170.3 29.9 7.0 -18.7 477 82 B Q H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 124.4 54.8 -72.9 -39.2 27.7 9.1 -16.4 478 83 B Q H > S+ 0 0 130 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.881 106.1 52.7 -60.4 -39.8 24.6 9.1 -18.7 479 84 B A H > S+ 0 0 12 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.900 108.1 51.5 -66.1 -34.8 24.6 5.3 -18.9 480 85 B A H X S+ 0 0 5 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.929 110.2 47.7 -65.2 -43.9 24.6 5.2 -15.2 481 86 B C H X S+ 0 0 12 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.898 110.4 53.9 -60.3 -38.3 21.6 7.6 -15.0 482 87 B D H < S+ 0 0 80 -4,-2.7 3,-0.4 1,-0.2 4,-0.3 0.886 106.8 50.4 -66.2 -39.3 19.9 5.4 -17.7 483 88 B M H >< S+ 0 0 6 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.870 109.3 52.5 -61.6 -36.6 20.4 2.3 -15.4 484 89 B A H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.725 114.5 42.4 -71.1 -21.5 18.9 4.2 -12.5 485 90 B A T 3< S+ 0 0 45 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.288 78.8 141.9-107.8 4.1 15.8 5.1 -14.6 486 91 B L X - 0 0 30 -3,-0.7 3,-2.0 -4,-0.3 -3,-0.1 -0.258 55.3-126.4 -57.7 135.6 15.1 1.8 -16.4 487 92 B E T 3 S+ 0 0 188 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.880 106.3 43.1 -43.1 -51.2 11.4 0.9 -16.9 488 93 B D T 3 S+ 0 0 65 -89,-0.0 2,-0.4 -62,-0.0 -1,-0.3 0.387 88.7 103.6 -93.9 10.4 11.6 -2.5 -15.3 489 94 B V < - 0 0 2 -3,-2.0 -90,-0.2 1,-0.1 3,-0.1 -0.769 40.9-179.5 -85.8 136.0 13.9 -1.6 -12.3 490 95 B D + 0 0 74 -92,-2.5 24,-2.5 -2,-0.4 2,-0.4 0.770 66.5 31.9 -95.0 -41.3 12.1 -1.4 -8.9 491 96 B Q E -ru 399 514D 4 -93,-2.1 -91,-2.4 22,-0.2 2,-0.5 -0.951 57.4-161.4-131.1 141.0 15.0 -0.5 -6.6 492 97 B V E -ru 400 515D 0 22,-2.6 24,-3.0 -2,-0.4 2,-1.0 -0.969 13.0-149.4-125.5 115.9 18.2 1.4 -7.0 493 98 B M E -ru 401 516D 0 -93,-2.8 -91,-3.2 -2,-0.5 2,-1.3 -0.782 17.6-157.4 -79.0 110.4 21.0 0.9 -4.5 494 99 B A E +ru 402 517D 0 22,-2.8 24,-1.9 -2,-1.0 -91,-0.1 -0.643 39.3 140.2 -96.8 82.8 22.5 4.5 -4.7 495 100 B A + 0 0 14 -93,-2.1 2,-0.5 -2,-1.3 -1,-0.2 0.208 25.5 112.8-114.3 11.2 26.0 3.7 -3.4 496 101 B I - 0 0 34 5,-0.2 2,-0.2 -3,-0.1 9,-0.1 -0.779 55.7-156.8 -81.1 132.2 28.2 5.9 -5.6 497 102 B V + 0 0 99 -2,-0.5 3,-0.4 22,-0.1 4,-0.1 -0.479 45.4 30.5-105.5 174.4 29.6 8.5 -3.3 498 103 B G S > S- 0 0 20 1,-0.2 3,-1.6 2,-0.2 4,-0.3 -0.207 115.9 -41.7 76.8-174.7 31.0 12.0 -3.9 499 104 B A G >> S+ 0 0 46 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.779 131.5 70.2 -52.4 -36.4 29.8 14.3 -6.6 500 105 B A G 34 S+ 0 0 61 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.636 94.6 57.0 -63.9 -14.6 29.7 11.4 -9.1 501 106 B G G <> S+ 0 0 0 -3,-1.6 4,-1.9 2,-0.1 -1,-0.3 0.654 87.3 79.3 -92.4 -10.6 26.7 10.0 -7.2 502 107 B L H <> S+ 0 0 4 -3,-1.6 4,-2.8 -4,-0.3 5,-0.2 0.964 94.6 39.6 -64.7 -58.2 24.5 13.1 -7.5 503 108 B L H X S+ 0 0 53 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.889 116.4 49.8 -63.6 -41.3 23.1 12.8 -11.1 504 109 B P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.912 114.5 45.3 -66.1 -37.3 22.6 9.0 -11.0 505 110 B T H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.936 112.7 50.4 -65.1 -48.5 20.7 9.2 -7.6 506 111 B L H X S+ 0 0 6 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.892 107.1 56.2 -58.4 -37.1 18.7 12.1 -8.9 507 112 B A H X S+ 0 0 18 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.960 108.0 46.4 -60.7 -46.4 17.9 10.0 -12.0 508 113 B A H <>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 -2,-0.2 0.919 113.9 50.3 -59.1 -40.5 16.4 7.2 -9.8 509 114 B I H ><5S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.2 30,-0.3 0.935 109.5 47.6 -67.9 -44.1 14.5 9.8 -7.9 510 115 B R H 3<5S+ 0 0 164 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.755 107.2 61.0 -67.8 -23.6 13.0 11.5 -11.0 511 116 B A T 3<5S- 0 0 40 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.390 113.8-116.5 -83.3 4.0 12.1 8.0 -12.2 512 117 B G T < 5 + 0 0 37 -3,-1.7 28,-0.2 -4,-0.2 -3,-0.2 0.719 62.9 153.6 79.4 15.7 9.8 7.3 -9.2 513 118 B K < - 0 0 25 -5,-2.1 27,-1.2 -6,-0.2 2,-0.6 -0.232 56.2-102.8 -77.6 170.4 12.1 4.4 -8.1 514 119 B T E -uv 491 540D 37 -24,-2.5 -22,-2.6 25,-0.2 2,-0.7 -0.829 43.7-152.5 -83.0 118.8 12.6 3.0 -4.6 515 120 B I E -uv 492 541D 0 25,-3.6 27,-3.1 -2,-0.6 2,-1.2 -0.890 15.7-158.0-105.1 118.6 15.9 4.5 -3.7 516 121 B L E -uv 493 542D 0 -24,-3.0 -22,-2.8 -2,-0.7 2,-0.7 -0.803 28.1-147.8 -85.7 96.1 18.2 2.6 -1.2 517 122 B L E +uv 494 543D 9 25,-1.6 27,-2.7 -2,-1.2 28,-0.8 -0.586 36.7 156.2 -81.5 110.4 20.1 5.8 -0.3 518 123 B A + 0 0 15 -24,-1.9 2,-0.3 -2,-0.7 -1,-0.1 -0.124 48.1 76.7-128.6 30.4 23.7 4.9 0.5 519 124 B N - 0 0 6 1,-0.1 4,-0.4 -22,-0.1 -22,-0.1 -0.991 59.0-152.0-139.5 146.2 25.6 8.1 -0.1 520 125 B K S > S+ 0 0 31 -2,-0.3 4,-2.2 1,-0.2 3,-0.5 0.764 87.0 70.7 -82.5 -29.0 25.7 11.3 2.0 521 126 B E H >>S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-1.0 0.894 86.2 69.9 -65.3 -36.8 26.3 13.9 -0.7 522 127 B S H >5S+ 0 0 0 1,-0.2 4,-1.3 3,-0.2 8,-0.3 0.908 117.2 18.0 -34.9 -61.9 22.8 13.5 -2.1 523 128 B L H >5S+ 0 0 2 -3,-0.5 4,-0.8 -4,-0.4 -1,-0.2 0.725 122.0 60.1 -98.0 -20.9 21.1 15.2 1.0 524 129 B V H <5S+ 0 0 0 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.2 0.918 126.6 16.2 -68.2 -40.0 24.2 17.0 2.4 525 130 B T H <5S+ 0 0 5 -4,-2.6 199,-0.2 -5,-0.3 -2,-0.2 0.808 141.4 26.5-102.9 -34.3 24.6 19.0 -0.7 526 131 B C H X S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 117.0 47.2 -69.4 -42.6 16.2 20.7 -1.0 529 134 B L H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 116.4 44.2 -60.2 -42.4 16.6 19.7 -4.7 530 135 B F H X S+ 0 0 2 -4,-3.0 4,-2.3 -8,-0.3 -1,-0.2 0.834 112.5 49.0 -79.5 -36.3 16.2 15.9 -4.0 531 136 B M H X S+ 0 0 9 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.895 112.0 51.1 -74.7 -31.5 13.3 16.2 -1.6 532 137 B D H X S+ 0 0 78 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.914 110.7 47.7 -59.2 -43.2 11.5 18.4 -4.2 533 138 B A H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 6,-0.3 0.915 110.8 52.8 -70.0 -38.8 12.1 15.9 -6.9 534 139 B V H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.921 107.8 51.2 -57.0 -47.3 10.9 13.1 -4.4 535 140 B K H < S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 113.4 45.5 -54.8 -45.8 7.6 15.1 -3.8 536 141 B Q H < S+ 0 0 152 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.935 124.0 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40.2 -58.2 -48.0 23.0 2.9 10.0 547 152 B E H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 118.5 44.9 -69.3 -48.0 21.6 5.8 12.0 548 153 B H H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.829 111.3 54.0 -64.7 -36.3 19.1 7.0 9.4 549 154 B N H X S+ 0 0 1 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.926 109.2 49.2 -62.7 -41.8 17.9 3.5 8.8 550 155 B A H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.927 111.4 48.8 -63.2 -43.3 17.4 3.1 12.6 551 156 B I H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.946 111.6 50.2 -59.9 -47.8 15.4 6.4 12.7 552 157 B F H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.919 109.4 49.0 -55.2 -51.7 13.4 5.2 9.8 553 158 B Q H 3< S+ 0 0 11 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 112.2 51.6 -60.0 -21.5 12.6 1.8 11.4 554 159 B S T << S+ 0 0 4 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.450 93.9 90.2 -98.3 0.2 11.6 3.7 14.5 555 160 B L S < S- 0 0 5 -3,-1.6 2,-0.1 -4,-0.4 96,-0.0 -0.558 86.5 -95.5 -95.8 156.9 9.2 6.1 12.8 556 161 B P >> - 0 0 26 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.377 35.6-106.9 -74.4 157.6 5.6 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0.919 114.8 47.5 -64.2 -38.3 39.2 28.3 -0.8 780 389 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.923 108.2 53.8 -69.4 -43.2 40.0 25.5 1.6 781 390 B R H X S+ 0 0 112 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 109.9 49.3 -53.6 -44.6 43.2 24.5 -0.4 782 391 B K H X S+ 0 0 140 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.890 108.9 51.5 -65.4 -40.2 44.4 28.1 -0.0 783 392 B E H X S+ 0 0 14 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.893 108.5 51.7 -61.9 -42.3 43.7 28.2 3.7 784 393 B V H >X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 3,-0.7 0.938 109.7 50.2 -57.3 -46.6 45.7 24.9 4.2 785 394 B M H 3< S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.858 101.6 61.5 -66.2 -31.6 48.6 26.5 2.3 786 395 B R H 3< S+ 0 0 154 -4,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.911 119.2 28.7 -53.5 -38.9 48.4 29.6 4.6 787 396 B L H << S+ 0 0 60 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.768 116.9 54.9 -92.2 -31.1 49.2 27.2 7.5 788 397 B A < 0 0 28 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 -0.157 360.0 360.0-103.2 34.8 51.3 24.4 5.9 789 398 B S 0 0 136 -3,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.118 360.0 360.0 45.9 360.0 53.9 27.0 4.5