==== 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 01-MAR-07 2EGH . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI STR. K12 SUBSTR.; . AUTHOR S.YAJIMA,K.HARA,D.IINO,Y.SASAKI,T.KUZUYAMA,H.SETO . 798 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 9.8 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 . 45 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 4 0 0 0 3 7 0 2 5 3 1 1 0 2 0 2 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 10 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 0 A G 0 0 84 0, 0.0 2,-0.3 0, 0.0 27,-0.3 0.000 360.0 360.0 360.0 113.5 24.8 -15.6 54.5 2 1 A K E -a 28 0A 91 25,-2.8 27,-2.7 93,-0.1 2,-0.5 -0.590 360.0-137.1 -78.6 135.4 25.8 -12.5 56.6 3 2 A Q E -a 29 0A 49 -2,-0.3 93,-2.5 90,-0.2 92,-2.5 -0.795 29.5-176.2 -92.0 128.6 25.9 -13.1 60.4 4 3 A L E -ab 30 96A 0 25,-2.1 27,-2.6 -2,-0.5 28,-1.2 -0.969 26.6-155.6-137.2 148.5 24.5 -10.2 62.4 5 4 A T E -ab 32 97A 0 91,-2.0 93,-2.0 -2,-0.4 2,-0.7 -0.936 19.9-146.2-110.7 134.5 23.9 -9.1 65.9 6 5 A I E > -ab 33 98A 0 26,-3.2 28,-2.6 -2,-0.4 2,-0.7 -0.917 6.4-159.9-108.0 111.2 21.1 -6.6 66.5 7 6 A L E 3 S+ab 34 99A 1 91,-3.0 93,-2.1 -2,-0.7 28,-0.1 -0.819 84.6 10.0 -89.6 113.3 21.8 -4.1 69.2 8 7 A G T > S+ 0 0 10 26,-1.9 3,-0.8 -2,-0.7 6,-0.4 0.930 79.4 168.9 82.1 54.3 18.4 -2.7 70.3 9 8 A S T < + 0 0 0 25,-2.5 9,-0.2 -3,-0.6 26,-0.1 0.771 65.0 58.7 -71.6 -29.2 16.3 -5.3 68.4 10 9 A T T 3 S+ 0 0 24 24,-0.3 -1,-0.2 4,-0.2 25,-0.1 0.507 90.7 88.2 -82.2 -3.8 12.9 -4.5 69.9 11 10 A G S <> S- 0 0 36 -3,-0.8 4,-2.8 89,-0.1 5,-0.3 -0.148 97.5 -88.2 -83.9-174.5 12.8 -0.9 68.9 12 11 A S H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.955 128.7 41.4 -59.6 -54.2 11.6 0.7 65.6 13 12 A I H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.898 114.6 55.1 -61.3 -39.1 14.9 0.4 63.8 14 13 A G H > S+ 0 0 0 -6,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.939 110.5 42.4 -59.2 -50.7 15.3 -3.1 65.3 15 14 A C H X S+ 0 0 23 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.844 114.2 54.3 -65.9 -33.4 12.0 -4.4 64.0 16 15 A S H X S+ 0 0 26 -4,-2.3 4,-1.4 -5,-0.3 3,-0.2 0.943 108.4 46.4 -67.4 -45.2 12.6 -2.7 60.7 17 16 A T H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.881 110.2 55.9 -64.9 -33.1 15.9 -4.4 60.2 18 17 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.862 102.0 55.6 -65.8 -33.8 14.3 -7.6 61.2 19 18 A D H X S+ 0 0 30 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.858 103.8 54.9 -66.9 -32.6 11.7 -7.2 58.4 20 19 A V H X S+ 0 0 0 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.867 106.6 50.8 -67.5 -34.4 14.5 -6.9 55.9 21 20 A V H >< S+ 0 0 7 -4,-1.4 3,-1.4 2,-0.2 7,-0.2 0.938 106.1 55.7 -66.7 -44.8 15.8 -10.2 57.1 22 21 A R H 3< S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.919 107.1 49.5 -51.2 -48.3 12.3 -11.7 56.7 23 22 A H H 3< S+ 0 0 73 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.646 123.1 32.7 -67.2 -16.4 12.4 -10.6 53.0 24 23 A N XX + 0 0 17 -3,-1.4 3,-2.0 -4,-0.6 4,-1.4 -0.355 66.8 158.9-140.7 61.4 15.8 -12.2 52.5 25 24 A P T 34 S+ 0 0 76 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.851 78.4 50.4 -50.1 -45.2 16.1 -15.3 54.8 26 25 A E T 34 S+ 0 0 169 1,-0.2 3,-0.1 -25,-0.1 -5,-0.0 0.485 109.1 55.0 -76.4 -1.9 18.9 -16.9 52.7 27 26 A H T <4 S+ 0 0 99 -3,-2.0 -25,-2.8 -6,-0.2 2,-0.4 0.778 111.6 32.0 -99.0 -36.2 20.9 -13.6 52.9 28 27 A F E < -a 2 0A 11 -4,-1.4 2,-0.5 -27,-0.3 -1,-0.2 -0.973 56.4-162.7-130.6 143.9 21.1 -12.9 56.6 29 28 A R E -a 3 0A 103 -27,-2.7 -25,-2.1 -2,-0.4 2,-0.6 -0.982 22.1-134.3-124.1 119.6 21.2 -15.1 59.7 30 29 A V E +a 4 0A 5 -2,-0.5 22,-0.3 19,-0.2 -25,-0.2 -0.621 28.7 171.1 -75.3 116.1 20.4 -13.5 63.1 31 30 A V E + 0 0 0 -27,-2.6 22,-1.9 -2,-0.6 21,-0.9 0.768 64.3 8.5 -94.9 -32.4 23.1 -14.6 65.6 32 31 A A E -ac 5 53A 0 -28,-1.2 -26,-3.2 20,-0.2 2,-0.4 -0.974 53.9-159.4-157.2 139.0 22.1 -12.4 68.5 33 32 A L E -ac 6 54A 0 20,-1.8 22,-2.3 -2,-0.3 2,-0.4 -0.967 13.6-170.2-118.7 132.0 19.4 -10.0 69.6 34 33 A V E +ac 7 55A 4 -28,-2.6 -25,-2.5 -2,-0.4 -26,-1.9 -0.975 16.5 147.7-125.1 136.0 19.9 -7.4 72.4 35 34 A A E - c 0 56A 7 20,-2.3 22,-1.8 -2,-0.4 23,-0.2 -0.846 41.1-119.3-150.3-174.5 17.3 -5.2 74.1 36 35 A G S S- 0 0 33 20,-0.3 22,-1.5 -2,-0.2 -1,-0.2 0.878 80.3 -36.9 -98.6 -76.1 16.4 -3.4 77.3 37 36 A K S S+ 0 0 148 20,-0.1 2,-1.4 19,-0.1 3,-0.2 0.576 92.9 113.3-128.5 -23.8 13.1 -4.5 78.9 38 37 A N > + 0 0 71 1,-0.2 4,-1.1 2,-0.1 -28,-0.1 -0.431 34.2 164.7 -63.0 82.6 10.6 -5.2 76.1 39 38 A V H > + 0 0 15 -2,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.884 66.0 60.7 -66.2 -46.4 10.5 -8.9 76.9 40 39 A T H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.924 107.9 41.3 -45.1 -63.7 7.3 -9.5 74.8 41 40 A R H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 112.8 56.0 -52.5 -48.1 8.9 -8.4 71.5 42 41 A M H X S+ 0 0 0 -4,-1.1 4,-3.0 1,-0.2 5,-0.3 0.924 103.8 54.2 -51.7 -49.5 12.1 -10.2 72.3 43 42 A V H X S+ 0 0 14 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.930 110.1 46.3 -50.7 -52.4 10.2 -13.5 72.8 44 43 A E H X S+ 0 0 111 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.910 113.5 47.8 -58.7 -45.6 8.5 -13.2 69.3 45 44 A Q H X S+ 0 0 5 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.922 112.3 49.2 -63.6 -44.3 11.8 -12.3 67.5 46 45 A C H X S+ 0 0 1 -4,-3.0 4,-1.7 -5,-0.2 -2,-0.2 0.926 111.3 49.8 -60.5 -45.2 13.7 -15.1 69.2 47 46 A L H < S+ 0 0 61 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.779 117.6 41.4 -64.3 -27.9 10.9 -17.6 68.3 48 47 A E H < S+ 0 0 97 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.895 125.3 29.1 -88.9 -43.7 11.0 -16.4 64.7 49 48 A F H < S- 0 0 29 -4,-3.3 -19,-0.2 -5,-0.2 -2,-0.2 0.414 89.0-137.8-101.2 3.5 14.7 -16.0 64.0 50 49 A S < - 0 0 81 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.893 28.1-161.0 41.6 57.1 16.2 -18.7 66.4 51 50 A P - 0 0 3 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.340 22.2-133.3 -66.8 148.7 19.1 -16.4 67.5 52 51 A R S S+ 0 0 128 -21,-0.9 25,-2.0 -22,-0.3 2,-0.3 0.927 90.6 17.6 -66.5 -43.6 22.0 -18.1 69.1 53 52 A Y E -cd 32 77A 39 -22,-1.9 -20,-1.8 23,-0.2 2,-0.3 -0.922 60.9-173.3-129.9 155.9 22.0 -15.6 71.9 54 53 A A E -cd 33 78A 0 23,-2.2 25,-2.4 -2,-0.3 2,-0.4 -0.981 11.3-174.2-146.6 130.8 19.5 -13.0 73.4 55 54 A V E -cd 34 79A 0 -22,-2.3 -20,-2.3 -2,-0.3 2,-0.4 -0.978 13.8-164.1-133.8 146.0 20.3 -10.5 76.0 56 55 A M E -cd 35 80A 0 23,-1.6 25,-1.4 -2,-0.4 -20,-0.3 -0.971 19.3-142.8-121.8 138.0 18.3 -7.9 78.0 57 56 A D S S+ 0 0 92 -22,-1.8 2,-0.6 -2,-0.4 25,-0.2 0.788 85.0 79.7 -72.5 -26.8 20.1 -5.2 79.9 58 57 A D S > S- 0 0 50 -22,-1.5 4,-2.5 -23,-0.2 5,-0.2 -0.737 74.4-148.4 -86.7 120.7 17.7 -5.4 82.8 59 58 A E H > S+ 0 0 131 -2,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.895 98.3 44.5 -52.4 -48.3 18.5 -8.3 85.1 60 59 A A H >> S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 3,-1.2 0.975 112.7 50.0 -62.2 -55.6 14.8 -8.8 86.0 61 60 A S H 3> S+ 0 0 13 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.851 109.4 55.4 -50.4 -36.4 13.6 -8.5 82.4 62 61 A A H 3X S+ 0 0 5 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.813 103.3 53.8 -68.4 -32.4 16.3 -11.0 81.5 63 62 A K H S+ 0 0 2 -4,-2.3 5,-2.5 -5,-0.2 -1,-0.3 0.728 107.9 62.8 -79.4 -22.8 11.7 -18.9 76.2 70 69 A Q H >45S+ 0 0 134 -3,-0.5 3,-1.5 -4,-0.4 -2,-0.2 0.981 109.0 38.3 -64.3 -56.8 12.6 -22.0 78.0 71 70 A Q H 3<5S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.886 105.5 66.9 -61.9 -40.3 9.0 -23.3 78.1 72 71 A Q T 3<5S- 0 0 100 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.500 117.5-113.9 -60.9 -0.1 8.3 -22.0 74.6 73 72 A G T < 5 + 0 0 63 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.719 65.3 153.9 73.5 19.8 10.8 -24.7 73.6 74 73 A S < - 0 0 23 -5,-2.5 -1,-0.3 -6,-0.1 -27,-0.1 -0.611 35.9-160.7 -81.7 141.0 13.3 -22.1 72.4 75 74 A R + 0 0 236 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.119 50.1 123.0-108.4 20.9 16.9 -23.1 72.5 76 75 A T - 0 0 13 -7,-0.1 2,-0.5 -23,-0.1 -23,-0.2 -0.673 64.0-124.1 -83.1 132.5 18.3 -19.5 72.4 77 76 A E E -d 53 0A 110 -25,-2.0 -23,-2.2 -2,-0.4 2,-0.4 -0.670 21.9-145.2 -82.3 126.3 20.6 -18.7 75.4 78 77 A V E +d 54 0A 21 -2,-0.5 -23,-0.2 -25,-0.2 2,-0.2 -0.764 23.6 169.7 -95.7 132.9 19.5 -15.7 77.5 79 78 A L E -d 55 0A 43 -25,-2.4 -23,-1.6 -2,-0.4 2,-0.3 -0.702 14.5-146.0-127.9-179.8 22.1 -13.4 79.1 80 79 A S E +d 56 0A 33 -25,-0.2 4,-0.4 -2,-0.2 -23,-0.2 -1.000 41.2 39.3-154.6 155.3 22.0 -10.0 80.8 81 80 A G S > S- 0 0 19 -25,-1.4 4,-1.9 -2,-0.3 3,-0.2 -0.012 82.8 -75.1 94.9 160.4 23.8 -6.8 81.4 82 81 A Q H > S+ 0 0 77 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.897 125.1 60.7 -58.4 -46.4 26.0 -4.4 79.4 83 82 A Q H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 108.0 44.7 -48.1 -49.4 29.0 -6.7 79.5 84 83 A A H > S+ 0 0 10 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.894 110.5 53.8 -63.9 -42.5 26.9 -9.3 77.6 85 84 A A H X S+ 0 0 5 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.932 109.8 48.9 -57.5 -46.1 25.6 -6.8 75.2 86 85 A C H X S+ 0 0 18 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.874 108.6 52.9 -63.4 -37.8 29.1 -5.8 74.4 87 86 A D H >< S+ 0 0 96 -4,-2.0 3,-0.9 -5,-0.3 4,-0.3 0.893 104.3 55.9 -66.1 -37.5 30.2 -9.4 73.9 88 87 A M H >< S+ 0 0 6 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.853 104.7 53.4 -60.9 -35.2 27.4 -9.9 71.4 89 88 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.678 113.1 45.0 -73.0 -18.6 28.7 -7.0 69.4 90 89 A A T << S+ 0 0 41 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.246 76.3 145.8-109.9 11.9 32.1 -8.7 69.3 91 90 A L X - 0 0 25 -3,-0.9 3,-1.4 -4,-0.3 -3,-0.1 -0.253 52.6-130.0 -54.5 130.8 31.2 -12.3 68.5 92 91 A E T 3 S+ 0 0 189 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.825 104.3 44.5 -51.4 -39.2 33.9 -13.9 66.4 93 92 A D T 3 S+ 0 0 72 -89,-0.0 2,-0.3 -62,-0.0 -1,-0.3 0.498 88.2 105.1 -89.1 -4.2 31.4 -15.2 63.8 94 93 A V < - 0 0 3 -3,-1.4 -90,-0.2 1,-0.2 3,-0.1 -0.604 43.7-175.5 -79.9 133.2 29.3 -12.0 63.4 95 94 A D + 0 0 66 -92,-2.5 24,-2.1 -2,-0.3 2,-0.3 0.836 67.8 21.2 -94.5 -43.3 29.9 -10.0 60.3 96 95 A Q E -be 4 119A 4 -93,-2.5 -91,-2.0 22,-0.2 2,-0.4 -0.946 58.7-158.6-131.4 152.1 27.6 -7.0 60.9 97 96 A V E -be 5 120A 0 22,-2.1 24,-1.6 -2,-0.3 2,-0.8 -0.959 14.4-143.9-133.5 114.9 26.1 -5.3 63.9 98 97 A M E -be 6 121A 0 -93,-2.0 -91,-3.0 -2,-0.4 2,-1.3 -0.685 16.2-156.1 -73.9 110.6 23.1 -3.1 63.7 99 98 A A E +be 7 122A 0 22,-2.5 24,-1.5 -2,-0.8 -91,-0.1 -0.710 38.9 143.3 -94.3 84.7 23.8 -0.5 66.4 100 99 A A + 0 0 20 -93,-2.1 2,-0.5 -2,-1.3 -86,-0.2 0.124 27.9 114.8-108.6 16.0 20.3 0.6 67.2 101 100 A I - 0 0 31 5,-0.1 2,-0.1 -3,-0.1 9,-0.1 -0.798 56.1-147.3 -88.5 129.6 20.6 1.2 70.9 102 101 A V + 0 0 111 -2,-0.5 3,-0.3 22,-0.1 5,-0.1 -0.409 45.2 15.3 -96.4 169.2 20.2 4.9 71.8 103 102 A G S S- 0 0 12 1,-0.2 4,-0.1 -2,-0.1 24,-0.1 -0.089 114.6 -31.5 69.8-168.2 21.6 7.3 74.4 104 103 A A S > S+ 0 0 34 2,-0.1 3,-1.5 3,-0.1 4,-0.4 0.865 127.1 73.4 -52.6 -40.1 24.6 6.9 76.6 105 104 A A T 3 S+ 0 0 52 -3,-0.3 21,-0.1 1,-0.2 -23,-0.0 -0.263 90.2 44.0 -64.6 168.1 23.9 3.2 76.6 106 105 A G T 3> S+ 0 0 1 1,-0.1 4,-1.7 20,-0.0 -1,-0.2 0.322 89.0 96.7 77.8 -18.8 24.8 1.7 73.3 107 106 A L H <> S+ 0 0 3 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.979 91.4 34.4 -68.4 -55.1 28.0 3.7 73.4 108 107 A L H > S+ 0 0 55 -4,-0.4 4,-2.4 2,-0.2 5,-0.2 0.897 117.6 54.0 -67.4 -39.8 30.1 0.8 74.8 109 108 A P H > S+ 0 0 4 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.899 112.8 43.9 -62.4 -36.6 28.2 -1.8 72.8 110 109 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.911 112.8 51.3 -73.1 -40.6 28.9 0.1 69.6 111 110 A L H X S+ 0 0 31 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.836 104.1 59.0 -63.6 -32.4 32.5 0.7 70.6 112 111 A A H X S+ 0 0 22 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.914 106.3 47.9 -62.4 -41.3 32.8 -3.0 71.2 113 112 A A H <>S+ 0 0 0 -4,-1.3 5,-2.0 1,-0.2 3,-0.4 0.898 110.4 51.4 -66.9 -40.1 31.8 -3.7 67.6 114 113 A I H ><5S+ 0 0 1 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.929 108.7 50.6 -62.5 -45.0 34.3 -1.1 66.3 115 114 A R H 3<5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.695 105.5 56.8 -66.7 -19.6 37.2 -2.7 68.3 116 115 A A T 3<5S- 0 0 40 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.242 113.3-123.1 -93.2 11.1 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38.9 3.8 66.8 139 138 A V H X>S+ 0 0 9 -4,-2.8 5,-1.4 1,-0.2 4,-1.1 0.902 111.8 49.1 -61.7 -38.9 37.3 2.8 63.4 140 139 A K H <5S+ 0 0 109 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.946 115.5 42.6 -63.5 -49.4 40.5 3.9 61.6 141 140 A Q H <5S+ 0 0 141 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 121.1 39.4 -63.7 -46.2 42.8 1.9 64.0 142 141 A S H <5S- 0 0 32 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.568 103.9-129.4 -83.6 -7.9 40.6 -1.2 64.1 143 142 A K T <5 + 0 0 161 -4,-1.1 -3,-0.2 -5,-0.3 2,-0.2 0.876 47.5 163.9 62.1 38.8 39.7 -1.0 60.4 144 143 A A < - 0 0 15 -5,-1.4 2,-0.6 -6,-0.2 -25,-0.2 -0.510 36.2-125.9 -84.4 156.7 36.0 -1.3 61.0 145 144 A Q E -f 119 0A 30 -27,-1.0 -25,-3.4 -2,-0.2 2,-0.4 -0.920 18.4-156.0-108.0 119.9 33.5 -0.3 58.4 146 145 A L E -f 120 0A 6 -2,-0.6 -25,-0.2 -27,-0.2 22,-0.1 -0.791 10.1-176.1 -92.8 135.3 30.8 2.2 59.3 147 146 A L E -f 121 0A 2 -27,-3.0 -25,-1.2 -2,-0.4 2,-0.1 -0.893 23.8-135.2-132.6 99.0 27.6 2.1 57.3 148 147 A P E -f 122 0A 3 0, 0.0 -25,-0.2 0, 0.0 9,-0.1 -0.350 20.5-175.5 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73.3-176.5 9.8 21.4 60.8 189 188 A P T 3 S+ 0 0 49 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.641 129.2 59.3 -75.7 -16.5 6.2 22.7 61.3 190 189 A F T 3 + 0 0 10 -3,-0.3 -2,-0.1 1,-0.2 8,-0.1 0.110 64.4 117.7-102.6 21.7 7.3 26.3 62.1 191 190 A R S < S+ 0 0 88 -3,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.848 90.2 26.6 -55.7 -36.8 9.1 26.9 58.9 192 191 A E S S+ 0 0 150 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.634 92.7 121.2-102.5 -18.1 6.7 29.7 58.0 193 192 A T S S- 0 0 26 -4,-0.2 5,-0.1 1,-0.1 2,-0.1 -0.086 73.4-103.7 -48.0 138.0 5.6 30.8 61.5 194 193 A P >> - 0 0 75 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.432 28.4-123.7 -64.7 141.0 6.3 34.5 62.5 195 194 A L G >4 S+ 0 0 73 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.868 109.7 61.8 -53.2 -38.4 9.4 34.6 64.7 196 195 A R G 34 S+ 0 0 216 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.752 102.1 52.4 -59.1 -28.2 7.3 36.4 67.4 197 196 A D G X4 S+ 0 0 70 -3,-1.6 3,-1.3 1,-0.2 4,-0.3 0.556 84.3 84.1 -87.6 -11.7 4.9 33.4 67.7 198 197 A L G X< S+ 0 0 11 -3,-1.2 3,-1.8 -4,-0.6 155,-0.3 0.900 81.2 64.5 -58.7 -41.3 7.5 30.7 68.3 199 198 A A G 3 S+ 0 0 29 -4,-0.5 154,-0.4 1,-0.3 -1,-0.2 0.678 106.5 42.6 -56.5 -21.9 7.7 31.5 72.0 200 199 A T G < S+ 0 0 89 -3,-1.3 -1,-0.3 152,-0.1 -2,-0.2 0.327 80.2 126.3-110.0 6.2 4.0 30.4 72.5 201 200 A M < - 0 0 29 -3,-1.8 152,-0.5 -4,-0.3 153,-0.1 -0.410 54.1-134.1 -65.3 140.8 4.0 27.2 70.3 202 201 A T > - 0 0 58 1,-0.1 4,-2.6 150,-0.1 5,-0.2 -0.478 19.9-106.6 -93.7 166.6 2.7 24.2 72.2 203 202 A P H > S+ 0 0 12 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.927 120.8 52.1 -58.3 -45.6 4.1 20.7 72.4 204 203 A D H 4 S+ 0 0 107 1,-0.2 -3,-0.0 2,-0.2 143,-0.0 0.907 111.3 47.8 -58.2 -40.9 1.3 19.3 70.2 205 204 A Q H >4 S+ 0 0 55 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.913 112.7 48.5 -65.7 -41.9 2.0 22.0 67.7 206 205 A A H 3< S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.877 109.0 53.2 -66.9 -36.3 5.8 21.3 67.8 207 206 A C T 3< S+ 0 0 14 -4,-2.9 2,-0.7 -5,-0.2 -1,-0.3 0.144 79.7 118.3 -85.9 20.6 5.2 17.5 67.4 208 207 A R < + 0 0 158 -3,-1.2 -3,-0.0 -5,-0.1 -4,-0.0 -0.804 38.8 161.7 -92.0 112.6 3.2 18.0 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1,-0.2 2,-0.3 0.924 92.0 21.5 -71.3 -45.5 50.2 16.4 16.7 454 52 B Y E -st 433 478D 53 -22,-1.6 -20,-1.8 23,-0.2 2,-0.4 -0.912 60.1-165.1-126.3 152.8 47.7 16.0 13.9 455 53 B A E -st 434 479D 0 23,-2.2 25,-2.8 -2,-0.3 2,-0.4 -0.998 14.8-166.5-133.9 126.1 44.7 18.0 12.6 456 54 B V E -st 435 480D 0 -22,-2.6 -20,-2.8 -2,-0.4 2,-0.4 -0.965 6.0-170.1-121.6 130.8 42.3 16.3 10.3 457 55 B M E -st 436 481D 0 23,-1.6 25,-1.8 -2,-0.4 -20,-0.2 -0.890 22.3-138.9-114.2 147.1 39.6 18.0 8.1 458 56 B D S S+ 0 0 89 -22,-0.9 24,-0.3 -21,-0.4 2,-0.2 0.971 88.8 64.7 -65.1 -55.5 36.9 16.0 6.3 459 57 B D S > S- 0 0 53 -22,-1.2 4,-2.0 1,-0.1 -2,-0.1 -0.488 75.8-144.7 -71.8 134.9 37.1 18.1 3.1 460 58 B E H > S+ 0 0 148 2,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.878 102.4 53.3 -67.5 -38.4 40.4 18.0 1.2 461 59 B A H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 108.8 49.5 -63.1 -40.4 40.0 21.6 0.3 462 60 B S H > S+ 0 0 12 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.915 108.5 53.7 -64.8 -42.2 39.6 22.5 3.9 463 61 B A H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.937 110.6 46.1 -56.8 -49.4 42.7 20.5 4.8 464 62 B K H X S+ 0 0 151 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.922 114.6 46.9 -59.6 -48.1 44.7 22.4 2.2 465 63 B L H X S+ 0 0 87 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.909 112.4 50.0 -61.7 -42.8 43.4 25.8 3.4 466 64 B L H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.915 107.8 55.8 -60.7 -42.7 44.0 24.8 7.1 467 65 B K H X S+ 0 0 95 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.897 108.7 44.8 -56.8 -45.6 47.5 23.8 6.1 468 66 B T H X S+ 0 0 71 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.843 111.8 54.6 -70.9 -31.0 48.3 27.2 4.7 469 67 B M H X S+ 0 0 54 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.963 110.0 45.0 -64.4 -52.5 46.7 28.9 7.7 470 68 B L H <>S+ 0 0 2 -4,-2.8 5,-2.5 1,-0.2 -2,-0.2 0.853 112.1 51.3 -61.8 -38.6 48.9 27.0 10.2 471 69 B Q H ><5S+ 0 0 117 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.935 106.2 54.1 -66.2 -43.4 52.1 27.5 8.3 472 70 B Q H 3<5S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.790 112.3 46.8 -58.7 -26.1 51.5 31.3 8.0 473 71 B Q T 3<5S- 0 0 108 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.363 117.4-116.0 -96.3 1.5 51.1 31.1 11.8 474 72 B G T < 5 + 0 0 60 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.539 63.3 148.2 77.4 6.6 54.3 29.0 12.2 475 73 B S < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.585 38.1-158.5 -78.2 136.8 52.5 25.9 13.6 476 74 B R + 0 0 204 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.080 40.3 142.4-100.9 20.8 54.0 22.5 12.8 477 75 B T - 0 0 16 1,-0.1 2,-0.5 -7,-0.1 -23,-0.2 -0.458 57.1-119.2 -63.1 126.3 50.8 20.5 13.3 478 76 B E E -t 454 0D 81 -25,-2.4 -23,-2.2 -2,-0.2 2,-0.5 -0.576 28.8-147.4 -73.0 122.3 50.7 17.8 10.7 479 77 B V E +t 455 0D 16 -2,-0.5 2,-0.2 -25,-0.2 -23,-0.2 -0.800 22.9 169.5 -97.7 129.4 47.5 18.3 8.6 480 78 B L E -t 456 0D 50 -25,-2.8 -23,-1.6 -2,-0.5 2,-0.3 -0.702 14.0-153.2-124.3 175.7 45.6 15.3 7.1 481 79 B S E +t 457 0D 47 -25,-0.2 4,-0.3 -2,-0.2 -23,-0.2 -0.988 40.9 42.6-151.9 155.5 42.2 14.9 5.4 482 80 B G S > S- 0 0 22 -25,-1.8 4,-1.8 -24,-0.3 5,-0.1 -0.006 81.5 -74.9 96.8 161.8 39.6 12.3 4.8 483 81 B Q H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 124.4 53.8 -62.4 -49.9 37.7 9.6 6.7 484 82 B Q H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 110.0 50.6 -54.9 -38.2 40.5 7.0 6.8 485 83 B A H > S+ 0 0 11 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.901 108.0 51.8 -65.9 -41.6 42.6 9.7 8.4 486 84 B A H X S+ 0 0 9 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.877 110.3 49.7 -62.2 -37.9 39.9 10.4 11.0 487 85 B C H X S+ 0 0 16 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.896 107.2 53.7 -68.5 -41.1 39.8 6.7 11.8 488 86 B D H >X S+ 0 0 83 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.893 105.9 53.7 -61.3 -38.4 43.5 6.6 12.2 489 87 B M H >< S+ 0 0 6 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.886 105.6 53.9 -63.3 -36.8 43.4 9.4 14.7 490 88 B A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.639 114.0 42.3 -71.7 -14.8 40.8 7.5 16.7 491 89 B A H << S+ 0 0 39 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.329 74.3 145.3-115.0 5.9 43.1 4.5 16.9 492 90 B L X< - 0 0 36 -3,-0.8 3,-1.0 -4,-0.5 -3,-0.1 -0.197 53.3-129.8 -48.2 128.9 46.5 6.1 17.6 493 91 B E T 3 S+ 0 0 176 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.826 104.2 49.5 -50.1 -39.5 48.5 3.7 19.9 494 92 B D T 3 S+ 0 0 108 -89,-0.0 -90,-0.3 -62,-0.0 -1,-0.2 0.719 88.1 97.5 -77.3 -24.0 49.3 6.5 22.3 495 93 B V < - 0 0 2 -3,-1.0 -90,-0.2 1,-0.1 3,-0.1 -0.413 46.5-173.0 -73.0 142.9 45.9 8.0 22.8 496 94 B D + 0 0 72 -92,-3.0 24,-2.3 1,-0.3 2,-0.4 0.826 67.4 31.2 -98.7 -43.9 43.8 7.0 25.9 497 95 B Q E -ru 405 520D 6 -93,-1.9 -91,-2.1 22,-0.2 2,-0.5 -0.924 56.8-159.9-125.0 147.6 40.4 8.7 25.2 498 96 B V E -ru 406 521D 0 22,-2.4 24,-2.5 -2,-0.4 2,-1.1 -0.969 12.9-148.5-126.1 113.3 38.4 9.5 22.1 499 97 B M E -ru 407 522D 0 -93,-2.4 -91,-2.5 -2,-0.5 2,-1.6 -0.723 15.4-156.0 -81.0 102.3 35.7 12.2 22.3 500 98 B A E +ru 408 523D 0 22,-2.2 24,-1.8 -2,-1.1 -91,-0.1 -0.627 41.9 137.8 -84.0 87.2 33.3 10.8 19.8 501 99 B A + 0 0 16 -93,-1.9 2,-0.6 -2,-1.6 -86,-0.2 0.196 21.0 122.8-117.1 13.7 31.5 14.0 18.9 502 100 B I - 0 0 30 5,-0.1 2,-0.2 -3,-0.1 5,-0.2 -0.716 59.3-135.9 -77.9 120.5 31.2 13.8 15.1 503 101 B V + 0 0 121 -2,-0.6 3,-0.5 3,-0.1 22,-0.1 -0.497 54.2 1.4 -79.8 145.4 27.4 14.0 14.4 504 102 B G S > S- 0 0 15 1,-0.2 3,-2.1 -2,-0.2 4,-0.4 -0.205 114.4 -31.0 80.3-171.3 25.5 11.8 12.0 505 103 B A G > S+ 0 0 32 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.758 127.0 72.6 -57.3 -23.6 26.5 8.9 9.8 506 104 B A G 3 S+ 0 0 59 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.790 92.5 53.7 -63.7 -28.9 29.9 10.5 9.5 507 105 B G G <> S+ 0 0 1 -3,-2.1 4,-2.2 -5,-0.2 5,-0.3 0.609 86.7 86.9 -83.1 -11.4 30.8 9.6 13.0 508 106 B L H <> S+ 0 0 0 -3,-1.0 4,-2.2 -4,-0.4 5,-0.2 0.938 92.3 35.8 -54.1 -61.6 30.1 5.9 12.6 509 107 B L H > S+ 0 0 49 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.915 117.1 51.6 -64.9 -44.3 33.4 4.6 11.2 510 108 B P H > S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.937 113.3 46.0 -59.0 -42.8 35.7 6.9 13.3 511 109 B T H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 112.5 49.9 -65.1 -41.8 33.8 5.8 16.5 512 110 B L H X S+ 0 0 14 -4,-2.2 4,-3.3 -5,-0.3 -1,-0.2 0.880 107.0 55.9 -64.7 -36.5 34.0 2.2 15.5 513 111 B A H X S+ 0 0 22 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.902 107.9 48.1 -61.9 -40.4 37.7 2.5 14.9 514 112 B A H <>S+ 0 0 0 -4,-1.7 5,-2.4 2,-0.2 -1,-0.2 0.906 112.6 48.8 -66.7 -41.6 38.2 3.9 18.4 515 113 B I H ><5S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.945 109.4 51.7 -62.1 -48.5 36.1 1.0 19.8 516 114 B R H 3<5S+ 0 0 165 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.2 53.9 -56.9 -35.3 38.1 -1.6 17.8 517 115 B A T 3<5S- 0 0 43 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.388 114.7-120.9 -80.5 2.5 41.3 -0.1 19.2 518 116 B G T < 5 + 0 0 33 -3,-2.2 28,-0.3 1,-0.2 -3,-0.2 0.756 56.6 159.3 63.9 26.1 39.9 -0.6 22.7 519 117 B K < - 0 0 24 -5,-2.4 2,-0.7 -6,-0.2 27,-0.5 -0.256 53.1 -98.6 -74.6 165.9 40.1 3.1 23.5 520 118 B T E -uv 497 546D 39 -24,-2.3 -22,-2.4 25,-0.2 2,-0.6 -0.799 45.4-147.0 -84.1 119.7 38.1 4.7 26.2 521 119 B I E -uv 498 547D 0 25,-3.2 27,-2.6 -2,-0.7 2,-1.3 -0.830 16.2-159.5 -99.5 120.8 35.2 6.3 24.3 522 120 B L E -uv 499 548D 0 -24,-2.5 -22,-2.2 -2,-0.6 2,-0.9 -0.815 27.5-149.3 -92.9 94.1 33.6 9.5 25.4 523 121 B L E +uv 500 549D 10 25,-1.8 27,-2.6 -2,-1.3 28,-0.8 -0.592 36.6 154.3 -77.4 104.2 30.4 8.9 23.5 524 122 B A + 0 0 19 -24,-1.8 2,-0.3 -2,-0.9 -1,-0.1 -0.342 48.8 77.4-124.0 48.0 28.8 12.2 22.5 525 123 B N - 0 0 15 1,-0.1 4,-0.4 -22,-0.1 26,-0.1 -0.969 57.9-153.3-154.3 143.4 26.8 11.2 19.4 526 124 B K S > S+ 0 0 50 -2,-0.3 4,-2.3 1,-0.1 5,-0.3 0.767 83.6 78.2 -88.6 -31.1 23.4 9.4 19.0 527 125 B E H >>S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 5,-0.6 0.851 87.6 62.4 -45.7 -45.3 24.0 7.8 15.5 528 126 B S H >5S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.954 115.4 23.0 -49.0 -70.6 26.1 5.1 17.0 529 127 B L H >5S+ 0 0 2 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.852 120.7 57.7 -71.6 -35.1 23.7 3.3 19.3 530 128 B V H <5S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.888 124.5 21.2 -63.5 -38.1 20.5 4.4 17.6 531 129 B T H <5S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 203,-0.2 0.782 139.1 27.0-100.6 -33.0 21.6 2.9 14.3 532 130 B C H X S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.881 120.8 53.9 -64.6 -40.4 23.9 -4.3 18.7 535 133 B L H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.958 116.0 38.2 -59.6 -51.2 26.8 -4.0 16.2 536 134 B F H X S+ 0 0 6 -4,-3.4 4,-2.2 -8,-0.2 -2,-0.2 0.912 114.8 51.9 -68.3 -43.9 28.5 -1.4 18.4 537 135 B M H X S+ 0 0 18 -4,-2.8 4,-1.9 -5,-0.4 -1,-0.2 0.885 112.4 47.6 -62.3 -34.7 27.7 -3.0 21.7 538 136 B D H X S+ 0 0 85 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.893 109.0 54.4 -70.0 -38.2 29.1 -6.3 20.4 539 137 B A H X S+ 0 0 11 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.861 108.6 50.0 -61.8 -36.2 32.2 -4.4 19.1 540 138 B V H X>S+ 0 0 3 -4,-2.2 5,-1.4 2,-0.2 4,-1.0 0.893 108.7 49.2 -70.1 -44.3 32.8 -3.0 22.6 541 139 B K H <5S+ 0 0 111 -4,-1.9 -2,-0.2 3,-0.2 3,-0.2 0.928 111.6 53.1 -61.5 -43.2 32.5 -6.3 24.4 542 140 B Q H <5S+ 0 0 163 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.974 119.3 29.8 -53.9 -66.4 35.0 -7.8 21.9 543 141 B S H <5S- 0 0 34 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.482 103.5-129.1 -76.0 -2.6 37.8 -5.2 22.2 544 142 B K T <5 + 0 0 129 -4,-1.0 2,-0.2 -3,-0.2 -3,-0.2 0.903 45.7 171.1 53.8 44.2 36.8 -4.6 25.9 545 143 B A < - 0 0 3 -5,-1.4 2,-0.6 -6,-0.2 -25,-0.2 -0.569 34.5-116.7 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49.4 -67.7 -46.2 25.7 10.4 31.9 556 154 B A H X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.3 -2,-0.2 0.904 113.0 48.0 -59.9 -42.9 23.4 11.2 34.8 557 155 B I H >< S+ 0 0 0 -4,-2.8 3,-0.9 2,-0.2 -2,-0.2 0.938 109.2 53.7 -63.6 -45.0 22.2 7.6 34.7 558 156 B F H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.931 108.1 49.6 -54.1 -48.6 25.8 6.3 34.5 559 157 B Q H 3< S+ 0 0 15 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 109.4 52.8 -65.1 -20.7 26.7 8.3 37.7 560 158 B S T << S+ 0 0 4 -4,-0.9 -1,-0.3 -3,-0.9 109,-0.2 0.249 95.9 90.6 -99.0 11.5 23.7 6.9 39.5 561 159 B L S < S- 0 0 10 -3,-1.7 2,-0.1 -4,-0.2 100,-0.0 -0.713 82.8-100.7-106.4 156.4 24.7 3.2 38.7 562 160 B P >> - 0 0 26 0, 0.0 4,-1.9 0, 0.0 3,-1.5 -0.371 35.2-109.3 -75.1 157.1 26.8 0.8 40.7 563 161 B Q H 3> S+ 0 0 64 1,-0.3 4,-2.5 2,-0.2 -2,-0.0 0.840 113.8 62.2 -55.3 -39.5 30.5 0.2 39.7 564 162 B P H 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 8,-0.1 0.790 110.5 42.5 -60.5 -23.0 30.0 -3.4 38.4 565 163 B I H <4 S+ 0 0 1 -3,-1.5 7,-0.2 1,-0.1 -2,-0.2 0.862 107.0 59.1 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