==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-JUN-10 3NR0 . COMPND 2 MOLECULE: DEOXYRIBOSE PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.KHERSONSKY,D.ROTHLISBERGE,A.M.WOLLACOTT,O.DYM,D.BAKER,D.S. . 490 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 2 0.4 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 2 2 0 0 0 2 3 3 0 2 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 2 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 A 0 0 98 0, 0.0 4,-0.3 0, 0.0 243,-0.0 0.000 360.0 360.0 360.0 -12.1 -0.2 20.0 1.8 2 3 A T > + 0 0 112 2,-0.1 4,-1.5 3,-0.1 5,-0.1 0.658 360.0 40.0 -77.0 -37.4 3.1 19.0 0.2 3 4 A L H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.843 118.4 47.0 -75.1 -34.1 4.3 20.8 3.4 4 5 A K H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.906 111.9 49.7 -73.9 -42.0 1.6 19.3 5.5 5 6 A A H > S+ 0 0 65 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.861 116.3 41.6 -62.2 -35.2 2.2 15.8 4.2 6 7 A S H X S+ 0 0 17 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.848 111.6 56.4 -86.3 -26.3 5.9 16.0 4.8 7 8 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.894 109.9 45.6 -63.0 -40.7 5.4 17.7 8.2 8 9 A L H X S+ 0 0 55 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.894 112.9 50.9 -68.5 -43.6 3.3 14.8 9.3 9 10 A R H X S+ 0 0 65 -4,-1.5 4,-0.5 1,-0.2 -2,-0.2 0.907 112.3 45.5 -58.0 -50.8 5.8 12.4 8.0 10 11 A A H >X S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 4,-0.5 0.886 107.2 58.5 -65.2 -41.8 8.6 14.1 9.8 11 12 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 28,-0.4 0.919 106.5 48.9 -53.2 -42.0 6.7 14.3 13.1 12 13 A K H 3< S+ 0 0 106 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.636 108.6 54.3 -77.6 -10.4 6.3 10.6 13.0 13 14 A L H << S+ 0 0 10 -3,-1.1 217,-1.6 -4,-0.5 -1,-0.3 0.451 84.8 122.5 -96.4 -1.5 10.0 10.2 12.4 14 15 A M E << -a 230 0A 0 -3,-1.2 26,-1.9 -4,-0.5 25,-0.9 -0.383 48.6-162.1 -68.0 133.5 10.9 12.3 15.4 15 16 A H E -ab 231 40A 22 215,-3.2 217,-1.1 24,-0.2 2,-0.3 -0.877 32.5-144.3-104.2 89.7 13.2 11.0 18.2 16 17 A L E -ab 232 41A 0 24,-2.4 26,-2.3 -2,-0.7 2,-0.3 -0.418 21.2-158.7 -74.7 123.3 12.1 13.7 20.6 17 18 A A E b 0 42A 23 215,-3.2 217,-0.4 -2,-0.3 26,-0.1 -0.694 360.0 360.0-103.6 141.9 14.8 15.0 23.0 18 19 A T 0 0 105 24,-1.0 24,-0.1 -2,-0.3 26,-0.1 -0.762 360.0 360.0-159.4 360.0 15.5 16.6 26.0 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 25 A T > 0 0 87 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 151.2 14.9 15.5 36.0 21 26 A D H > + 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.843 360.0 53.8 -60.8 -36.0 12.0 13.1 36.4 22 27 A E H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 105.6 49.5 -66.8 -50.7 9.6 15.9 35.8 23 28 A N H > S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.827 112.6 49.0 -55.7 -38.2 11.1 17.1 32.5 24 29 A V H X S+ 0 0 8 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.863 108.6 51.4 -73.6 -40.9 11.1 13.5 31.1 25 30 A I H X S+ 0 0 59 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.963 112.4 47.0 -56.9 -53.4 7.4 12.9 32.1 26 31 A A H X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.825 108.9 56.6 -56.3 -36.5 6.5 16.2 30.3 27 32 A L H X S+ 0 0 5 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.928 105.1 49.3 -62.0 -47.4 8.6 15.0 27.4 28 33 A C H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.856 111.4 49.9 -57.2 -38.7 6.6 11.8 27.1 29 34 A H H >< S+ 0 0 97 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.916 109.5 52.0 -70.6 -41.0 3.3 13.8 27.2 30 35 A Q H 3< S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.756 101.0 61.7 -60.2 -29.0 4.7 16.1 24.4 31 36 A A T 3< S+ 0 0 0 -4,-1.4 7,-2.1 -5,-0.1 2,-0.7 0.629 92.4 71.9 -71.9 -16.2 5.6 13.1 22.2 32 37 A K E < S+J 37 0B 98 -3,-1.2 5,-0.2 -4,-0.4 -1,-0.1 -0.912 75.0 177.5-106.0 102.6 1.8 12.2 22.1 33 38 A T E > -J 36 0B 16 3,-2.3 3,-1.1 -2,-0.7 -2,-0.0 -0.689 46.1-106.9-111.5 164.5 0.3 14.8 19.8 34 39 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.604 121.9 43.3 -63.7 -8.4 -3.2 15.5 18.5 35 40 A V T 3 S- 0 0 43 1,-0.5 2,-0.3 -27,-0.0 -3,-0.0 0.435 129.1 -69.9-113.0 0.0 -2.0 14.3 14.9 36 41 A G E < -J 33 0B 24 -3,-1.1 -3,-2.3 -25,-0.0 -1,-0.5 -0.912 59.5 -59.4 138.8-171.0 -0.1 11.3 16.2 37 42 A N E -J 32 0B 43 -2,-0.3 -5,-0.2 -5,-0.2 -23,-0.1 -0.834 39.4-116.4-112.7 141.4 3.0 10.2 18.1 38 43 A T - 0 0 3 -7,-2.1 -26,-0.2 -2,-0.3 -23,-0.1 -0.334 36.4-115.5 -60.0 160.3 6.7 10.8 17.5 39 44 A D S S- 0 0 33 -25,-0.9 25,-2.5 -28,-0.4 2,-0.3 0.779 81.9 -18.3 -64.5 -34.1 8.5 7.5 16.8 40 45 A A E -bc 15 64A 0 -26,-1.9 -24,-2.4 23,-0.3 2,-0.3 -0.969 56.6-117.2-160.7 167.3 10.6 7.7 20.0 41 46 A I E -bc 16 65A 0 23,-2.6 25,-3.3 -2,-0.3 2,-0.4 -0.892 17.5-145.4-112.6 160.4 12.1 9.7 22.8 42 47 A F E +bc 17 66A 45 -26,-2.3 -24,-1.0 -2,-0.3 2,-0.3 -0.963 35.7 142.7-129.0 113.8 15.7 10.3 23.6 43 48 A I - 0 0 4 23,-1.9 25,-0.4 -2,-0.4 5,-0.1 -0.878 54.2 -73.3-145.3 163.2 16.7 10.6 27.3 44 49 A Y > - 0 0 94 -2,-0.3 3,-2.1 23,-0.2 4,-0.3 -0.361 50.5-111.8 -63.4 146.3 19.5 9.6 29.7 45 50 A P G > S+ 0 0 13 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.831 112.0 62.4 -50.8 -36.9 19.6 5.9 30.6 46 51 A R G 3 S+ 0 0 84 1,-0.3 4,-0.3 2,-0.1 285,-0.0 0.696 100.0 54.6 -68.5 -17.1 18.6 6.4 34.2 47 52 A F G <> S+ 0 0 18 -3,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.442 79.9 95.2 -95.8 -2.6 15.2 7.8 33.2 48 53 A I H <> S+ 0 0 1 -3,-2.0 4,-3.2 -4,-0.3 5,-0.2 0.922 83.0 48.8 -55.8 -48.9 14.2 4.9 31.0 49 54 A P H > S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.929 115.0 45.0 -60.8 -43.4 12.1 3.0 33.6 50 55 A I H > S+ 0 0 30 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.923 115.4 47.6 -69.4 -40.9 10.2 6.1 34.6 51 56 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.902 107.9 55.6 -59.2 -45.6 9.6 7.1 30.9 52 57 A R H X S+ 0 0 76 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.883 111.1 45.8 -57.6 -36.2 8.5 3.5 30.0 53 58 A K H X S+ 0 0 35 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.907 112.0 48.1 -75.1 -45.8 5.9 3.7 32.7 54 59 A T H X S+ 0 0 9 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.878 113.1 48.9 -61.2 -44.7 4.6 7.2 31.8 55 60 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 -1,-0.2 0.872 112.0 50.8 -61.5 -40.5 4.4 6.2 28.1 56 61 A K H ><5S+ 0 0 158 -4,-1.8 3,-1.3 -5,-0.3 -2,-0.2 0.941 109.0 50.9 -62.5 -45.3 2.5 3.0 29.1 57 62 A E H 3<5S+ 0 0 148 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 106.3 52.2 -58.5 -46.8 0.0 4.9 31.2 58 63 A Q T 3<5S- 0 0 34 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.1 0.157 121.6-102.5 -81.4 17.3 -1.0 7.5 28.5 59 64 A G T < 5S+ 0 0 51 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.758 91.5 110.2 71.1 28.6 -1.7 4.7 26.1 60 65 A T > < + 0 0 2 -5,-2.6 3,-1.5 -6,-0.2 -4,-0.1 -0.333 19.6 144.9-134.1 58.0 1.5 5.0 23.9 61 66 A P T 3 + 0 0 87 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.457 68.4 67.5 -72.3 -4.6 3.6 1.9 24.6 62 67 A E T 3 S+ 0 0 109 -7,-0.1 2,-0.6 -3,-0.1 -2,-0.1 0.511 71.1 104.7 -93.6 -8.9 4.8 1.9 21.0 63 68 A I S < S- 0 0 2 -3,-1.5 -23,-0.3 -8,-0.1 -24,-0.1 -0.699 74.4-132.7 -70.1 119.6 6.7 5.1 21.4 64 69 A R E -c 40 0A 81 -25,-2.5 -23,-2.6 -2,-0.6 2,-0.6 -0.240 6.2-133.9 -75.4 158.6 10.3 3.9 21.6 65 70 A I E -c 41 0A 0 -25,-0.2 29,-2.8 27,-0.2 30,-1.4 -0.954 23.0-176.8-120.4 118.3 13.0 4.9 24.1 66 71 A C E +cd 42 95A 6 -25,-3.3 -23,-1.9 -2,-0.6 2,-0.3 -0.806 4.9 175.6-108.7 153.8 16.4 5.7 22.8 67 72 A T E - d 0 96A 0 28,-2.1 30,-3.6 -2,-0.3 2,-0.3 -0.887 20.4-118.5-150.8 178.2 19.4 6.6 24.9 68 73 A S E - d 0 97A 6 -25,-0.4 2,-0.3 -2,-0.3 30,-0.2 -0.865 17.5-175.7-129.6 152.0 23.2 7.4 24.7 69 74 A T E S+ d 0 98A 4 28,-2.5 30,-1.9 -2,-0.3 12,-0.1 -0.940 74.0 28.5-143.7 159.5 26.5 6.0 26.0 70 75 A N S > S- 0 0 9 -2,-0.3 4,-2.0 28,-0.2 5,-0.2 0.847 105.4-160.8 55.5 35.8 30.1 7.1 25.8 71 76 A F T 4 - 0 0 35 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 -0.842 38.2 -15.7-120.7 138.2 28.3 10.4 25.7 72 77 A P T 4 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 95,-0.1 -0.997 129.4 48.5 -94.5 -4.2 28.9 13.2 24.8 73 78 A H T 4 S- 0 0 107 1,-0.1 -2,-0.2 28,-0.0 29,-0.1 0.743 79.0-143.2 -73.6 -27.6 32.7 13.0 24.7 74 79 A G < - 0 0 2 -4,-2.0 29,-0.4 27,-0.1 30,-0.3 0.924 27.9-174.5 63.9 44.3 33.3 9.9 22.7 75 80 A N - 0 0 82 -5,-0.2 -1,-0.1 26,-0.1 27,-0.0 -0.185 30.8-119.7 -62.2 168.2 36.4 8.8 24.6 76 81 A D S S+ 0 0 94 25,-0.1 2,-0.8 24,-0.1 -1,-0.1 0.188 71.8 118.7-105.8 16.7 38.4 5.7 23.5 77 82 A D > - 0 0 50 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.733 43.8-168.3 -83.1 111.3 38.0 3.5 26.6 78 83 A I H > S+ 0 0 47 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.876 79.3 54.3 -69.1 -42.9 36.2 0.5 25.3 79 84 A D H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 111.5 46.3 -64.7 -38.9 35.3 -1.2 28.7 80 85 A I H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 112.0 50.4 -67.4 -43.9 33.6 2.0 29.9 81 86 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.922 115.5 44.1 -58.4 -45.5 31.7 2.5 26.7 82 87 A L H X S+ 0 0 45 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.890 110.2 51.6 -70.1 -43.9 30.6 -1.1 26.9 83 88 A A H X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 111.4 50.7 -59.3 -47.5 29.6 -1.2 30.6 84 89 A E H X S+ 0 0 43 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.872 110.9 48.8 -53.8 -40.0 27.5 2.0 29.9 85 90 A T H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.894 109.2 51.6 -71.5 -41.0 25.9 0.2 27.0 86 91 A R H X S+ 0 0 78 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.831 110.5 48.9 -60.7 -37.3 25.1 -2.9 29.1 87 92 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 250,-0.2 -2,-0.2 0.903 107.1 55.6 -68.7 -44.0 23.5 -0.7 31.8 88 93 A A H X>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 4,-0.8 0.892 110.2 46.3 -50.7 -45.5 21.4 1.1 29.1 89 94 A I H ><5S+ 0 0 35 -4,-1.7 3,-1.8 2,-0.2 -1,-0.2 0.963 110.5 51.5 -61.2 -55.3 20.1 -2.3 28.0 90 95 A A H 3<5S+ 0 0 11 -4,-2.1 -2,-0.2 1,-0.3 244,-0.2 0.876 105.4 58.0 -57.1 -32.9 19.4 -3.4 31.6 91 96 A Y H 3<5S- 0 0 14 -4,-2.9 -1,-0.3 242,-0.1 -2,-0.2 0.823 126.6-103.4 -63.8 -27.1 17.5 -0.1 32.0 92 97 A G T <<5 + 0 0 27 -3,-1.8 -3,-0.2 -4,-0.8 -27,-0.2 0.589 55.8 172.5 112.3 14.3 15.2 -1.2 29.1 93 98 A A < - 0 0 6 -5,-2.3 -27,-0.2 1,-0.2 -1,-0.1 -0.247 29.3-155.0 -53.7 141.0 16.5 0.9 26.2 94 99 A D S S+ 0 0 36 -29,-2.8 36,-1.6 1,-0.4 2,-0.3 0.732 83.4 4.4 -84.1 -32.5 15.0 0.1 22.7 95 100 A S E -de 66 130A 7 -30,-1.4 -28,-2.1 34,-0.2 2,-0.4 -0.981 64.5-146.1-150.7 158.6 18.2 1.5 21.3 96 101 A V E -de 67 131A 0 34,-2.3 36,-3.1 -2,-0.3 2,-0.7 -0.966 5.4-154.0-118.0 128.8 21.5 2.9 22.4 97 102 A A E -de 68 132A 10 -30,-3.6 -28,-2.5 -2,-0.4 2,-0.4 -0.918 18.4-167.5 -99.2 100.6 23.5 5.7 20.6 98 103 A V E -de 69 133A 0 34,-2.4 36,-2.5 -2,-0.7 2,-0.6 -0.761 22.8-119.8 -83.7 140.0 27.2 5.2 21.5 99 104 A V E - e 0 134A 0 -30,-1.9 36,-0.2 -2,-0.4 34,-0.1 -0.736 26.2-126.2 -80.8 123.1 29.6 8.0 20.6 100 105 A F - 0 0 1 34,-2.7 2,-1.9 -2,-0.6 3,-0.2 -0.414 26.5-108.7 -57.7 142.9 32.3 7.0 18.2 101 106 A P > + 0 0 1 0, 0.0 4,-1.6 0, 0.0 12,-0.2 -0.509 54.2 163.4 -76.0 81.2 35.8 7.7 19.4 102 107 A Y H > + 0 0 10 -2,-1.9 4,-2.2 1,-0.2 5,-0.1 0.838 65.8 56.4 -80.5 -31.6 36.3 10.5 16.9 103 108 A R H > S+ 0 0 100 -29,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.903 107.5 51.9 -61.4 -41.3 39.3 12.2 18.5 104 109 A A H >4>S+ 0 0 10 -30,-0.3 5,-3.2 2,-0.2 3,-0.5 0.891 109.4 47.8 -60.0 -48.6 41.1 8.9 18.3 105 110 A L H ><5S+ 0 0 7 -4,-1.6 3,-1.3 3,-0.2 -1,-0.2 0.855 110.4 54.2 -57.6 -37.1 40.3 8.6 14.6 106 111 A M H 3<5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.663 105.4 51.5 -72.9 -18.7 41.5 12.2 14.2 107 112 A A T <<5S- 0 0 93 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.159 133.1 -93.0-103.5 14.2 44.8 11.3 15.8 108 113 A G T < 5S+ 0 0 63 -3,-1.3 2,-0.9 1,-0.2 -3,-0.2 0.421 85.7 128.3 100.1 2.4 45.1 8.4 13.3 109 114 A N >< + 0 0 69 -5,-3.2 4,-0.5 1,-0.2 -1,-0.2 -0.759 16.0 159.7-101.4 101.8 43.6 5.5 15.2 110 115 A E H > + 0 0 109 -2,-0.9 4,-1.2 2,-0.1 -1,-0.2 0.586 68.0 66.7 -89.2 -14.9 40.9 3.8 13.1 111 116 A Q H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.908 92.0 55.4 -85.4 -40.7 41.0 0.5 15.1 112 117 A V H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 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55.5-171.6 -56.6 144.2 23.9 18.2 11.2 173 178 A T > - 0 0 56 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.915 38.6-111.3-129.3 157.7 24.3 20.1 7.9 174 179 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.869 120.3 51.8 -54.2 -39.6 22.7 19.1 4.6 175 180 A E H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 110.3 44.1 -63.5 -52.1 26.2 18.4 3.3 176 181 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.900 114.0 53.1 -60.9 -33.0 27.3 16.1 6.3 177 182 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.966 110.7 46.4 -65.3 -46.1 23.9 14.4 6.0 178 183 A R H X S+ 0 0 80 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.930 111.0 51.8 -63.7 -39.8 24.5 13.8 2.3 179 184 A I H X S+ 0 0 10 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.959 111.8 46.1 -61.8 -48.3 28.0 12.5 2.9 180 185 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-0.3 0.891 113.0 48.5 -59.5 -46.1 26.9 10.0 5.5 181 186 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.840 106.9 58.0 -66.4 -31.2 23.9 8.7 3.4 182 187 A E H X S+ 0 0 34 -4,-2.4 4,-3.3 -5,-0.3 -1,-0.2 0.809 102.0 54.1 -70.1 -29.9 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A S >> - 0 0 40 -2,-0.3 4,-1.7 -217,-0.2 3,-0.7 -0.402 48.8 -78.6-108.1-170.3 13.6 18.9 20.3 234 239 A A H 3> S+ 0 0 34 -217,-0.4 4,-2.4 1,-0.3 5,-0.2 0.605 119.1 67.4 -71.4 -11.6 10.2 20.5 20.9 235 240 A S H 3> S+ 0 0 91 2,-0.2 4,-1.8 3,-0.2 -1,-0.3 0.938 104.8 42.7 -72.5 -41.6 11.1 23.5 18.7 236 241 A L H <> S+ 0 0 3 -3,-0.7 4,-2.9 2,-0.2 5,-0.2 0.957 115.9 50.9 -61.2 -46.9 11.1 21.3 15.7 237 242 A L H X S+ 0 0 8 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.912 109.7 47.5 -60.0 -46.0 8.0 19.6 16.9 238 243 A A H X S+ 0 0 60 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.839 112.8 51.8 -68.6 -27.8 6.1 22.8 17.5 239 244 A S H X S+ 0 0 30 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.951 111.2 46.2 -65.4 -48.3 7.2 23.9 14.1 240 245 A L H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.850 115.0 46.5 -62.0 -38.2 5.9 20.7 12.5 241 246 A L H ><>S+ 0 0 26 -4,-2.3 5,-1.9 -5,-0.2 3,-1.3 0.879 109.2 54.4 -73.1 -39.3 2.7 20.9 14.4 242 247 A K H ><5S+ 0 0 58 -4,-1.9 3,-2.5 4,-0.3 -2,-0.2 0.938 103.8 56.2 -59.2 -46.8 2.2 24.6 13.5 243 248 A A 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<> S+ 0 0 20 -3,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.399 79.2 94.8 -97.5 2.9 29.9 6.9 37.6 295 53 B I H <> S+ 0 0 0 -3,-2.1 4,-3.3 -4,-0.3 5,-0.2 0.923 78.7 53.2 -64.6 -48.9 30.9 3.4 38.4 296 54 B P H > S+ 0 0 9 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.947 114.9 42.5 -53.7 -46.7 32.9 2.6 35.1 297 55 B I H > S+ 0 0 36 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.882 114.4 50.8 -70.8 -38.1 35.1 5.8 35.6 298 56 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.966 107.7 52.4 -58.2 -52.1 35.4 5.1 39.3 299 57 B R H X S+ 0 0 83 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.905 112.3 47.9 -50.9 -39.5 36.6 1.5 38.7 300 58 B K H X S+ 0 0 21 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.900 110.0 49.5 -68.2 -44.6 39.2 2.9 36.4 301 59 B T H X S+ 0 0 10 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.836 111.9 48.1 -64.0 -36.3 40.5 5.6 38.7 302 60 B L H <>S+ 0 0 1 -4,-2.3 5,-3.4 2,-0.2 -1,-0.2 0.881 110.4 52.9 -74.2 -42.5 40.9 3.2 41.6 303 61 B K H ><5S+ 0 0 159 -4,-2.1 3,-0.9 -5,-0.3 -2,-0.2 0.921 110.3 48.1 -54.9 -44.2 42.7 0.7 39.3 304 62 B E H 3<5S+ 0 0 159 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.745 108.9 50.0 -72.1 -31.8 45.1 3.5 38.2 305 63 B Q T 3<5S- 0 0 26 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.293 121.6-109.8 -85.8 8.0 46.0 4.8 41.8 306 64 B G T < 5S+ 0 0 51 -3,-0.9 -3,-0.2 -4,-0.1 -2,-0.1 0.892 87.3 115.4 68.9 45.3 46.6 1.1 42.6 307 65 B T > < + 0 0 2 -5,-3.4 3,-1.0 -6,-0.1 -4,-0.2 -0.409 21.0 148.1-139.1 61.7 43.7 0.5 44.9 308 66 B P T 3 + 0 0 82 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.585 67.8 65.3 -69.4 -12.8 41.6 -2.0 42.9 309 67 B E T 3 S+ 0 0 109 -7,-0.2 2,-0.4 -3,-0.1 -6,-0.0 0.690 71.3 104.3 -94.0 -14.7 40.4 -3.6 46.2 310 68 B I S < S- 0 0 2 -3,-1.0 -23,-0.3 -8,-0.1 -24,-0.1 -0.505 74.1-130.9 -60.0 116.7 38.4 -0.5 47.3 311 69 B R E -m 287 0C 76 -25,-2.6 -23,-2.9 -2,-0.4 2,-0.6 -0.269 7.9-134.6 -75.8 161.4 34.8 -1.5 46.6 312 70 B I E -m 288 0C 0 -25,-0.2 29,-2.9 27,-0.2 30,-1.2 -0.947 21.9-175.0-123.1 118.2 32.2 0.5 44.8 313 71 B C E +mn 289 342C 5 -25,-3.6 -23,-2.1 -2,-0.6 2,-0.3 -0.727 4.5 177.2-107.6 160.2 28.7 0.8 46.2 314 72 B T E - n 0 343C 0 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