==== 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 20-DEC-10 3Q2D . COMPND 2 MOLECULE: DEOXYRIBOSE PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.KHERSONSKY,D.ROTHLISBERGE,A.M.WOLLACOTT,P.MURPHY,O.DYM,S.A . 473 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 2 2 0 0 0 1 5 1 0 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 7 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 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 3 A T 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.7 -24.9 19.6 1.4 2 4 A D > + 0 0 123 3,-0.1 4,-1.6 2,-0.1 5,-0.2 0.742 360.0 28.7 -92.7 -49.8 -21.4 19.5 0.2 3 5 A L H > S+ 0 0 49 2,-0.2 4,-1.0 3,-0.2 5,-0.1 0.731 124.9 49.5 -73.4 -26.9 -20.3 21.3 3.4 4 6 A K H > S+ 0 0 68 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.938 112.1 48.7 -77.4 -44.6 -23.2 19.8 5.4 5 7 A A H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.809 115.1 42.7 -56.0 -43.2 -22.4 16.3 4.1 6 8 A S H X S+ 0 0 14 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.797 111.1 56.3 -83.1 -25.7 -18.7 16.4 4.9 7 9 A S H X S+ 0 0 0 -4,-1.0 4,-3.1 2,-0.2 5,-0.2 0.977 110.1 44.6 -66.1 -52.2 -19.4 18.1 8.3 8 10 A L H X S+ 0 0 62 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.938 116.0 47.9 -47.9 -53.9 -21.6 15.3 9.4 9 11 A R H < S+ 0 0 64 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.866 113.4 46.9 -65.9 -34.4 -19.1 12.8 8.0 10 12 A A H >X S+ 0 0 0 -4,-2.6 3,-2.2 2,-0.2 4,-0.9 0.951 108.0 54.9 -69.4 -46.6 -16.1 14.5 9.8 11 13 A L H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.3 30,-0.5 0.925 107.2 51.9 -51.5 -45.0 -18.0 14.8 13.1 12 14 A K T 3< S+ 0 0 108 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.608 108.4 52.4 -70.7 -8.9 -18.5 11.0 13.0 13 15 A L T <4 S+ 0 0 10 -3,-2.2 219,-1.1 -4,-0.4 -1,-0.3 0.498 86.8 123.3 -96.7 -7.4 -14.7 10.6 12.4 14 16 A M E << -a 232 0A 0 -3,-1.5 28,-1.4 -4,-0.9 27,-1.0 -0.175 50.5-159.6 -63.2 139.2 -13.7 12.7 15.4 15 17 A H E -ab 233 42A 15 217,-3.0 219,-1.4 26,-0.2 2,-0.3 -0.912 31.3-149.0-107.9 93.2 -11.5 11.6 18.2 16 18 A L E -ab 234 43A 0 26,-2.2 28,-3.3 -2,-0.6 2,-0.3 -0.511 20.0-178.5 -72.6 124.0 -12.7 14.2 20.6 17 19 A A E -ab 235 44A 21 217,-2.4 219,-0.6 -2,-0.3 28,-0.1 -0.871 30.1 -87.9-114.3 160.0 -10.1 15.5 23.3 18 20 A T 0 0 35 26,-0.5 -1,-0.1 -2,-0.3 8,-0.0 0.040 360.0 360.0 -42.1 156.9 -10.2 18.0 26.2 19 21 A S 0 0 149 216,-0.1 -1,-0.2 217,-0.1 216,-0.1 -0.045 360.0 360.0 132.0 360.0 -9.5 21.8 25.9 20 ! 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 21 26 A D 0 0 48 0, 0.0 2,-0.3 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 120.4 -7.9 16.4 32.1 22 27 A T > - 0 0 62 27,-0.0 4,-1.9 1,-0.0 3,-0.4 -0.906 360.0 -98.2-131.3 170.4 -9.7 16.0 35.5 23 28 A D H > S+ 0 0 72 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.830 123.4 49.4 -57.4 -33.9 -12.6 13.5 36.3 24 29 A E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.813 110.9 49.4 -81.3 -32.9 -15.3 16.2 35.8 25 30 A N H > S+ 0 0 86 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.757 107.2 54.0 -69.6 -31.2 -13.9 17.2 32.4 26 31 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.956 110.1 49.7 -68.7 -44.3 -13.7 13.6 31.2 27 32 A I H X S+ 0 0 54 -4,-1.8 4,-1.8 1,-0.3 3,-0.5 0.953 111.1 45.7 -56.0 -60.4 -17.3 13.4 32.1 28 33 A A H X S+ 0 0 42 -4,-2.2 4,-3.0 1,-0.3 -1,-0.3 0.782 110.0 58.9 -52.4 -31.9 -18.4 16.6 30.3 29 34 A L H X S+ 0 0 1 -4,-1.3 4,-1.4 2,-0.2 -1,-0.3 0.938 103.7 48.5 -64.7 -48.7 -16.2 15.3 27.4 30 35 A C H < S+ 0 0 0 -4,-2.1 4,-0.4 -3,-0.5 -2,-0.2 0.853 113.9 47.2 -60.3 -38.7 -18.3 12.1 27.0 31 36 A H H >< S+ 0 0 100 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.918 108.5 55.5 -67.1 -47.3 -21.5 14.2 27.1 32 37 A Q H 3< S+ 0 0 92 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.764 102.8 58.6 -50.3 -28.3 -19.9 16.6 24.5 33 38 A A T 3< S+ 0 0 0 -4,-1.4 7,-2.2 -3,-0.1 2,-0.7 0.516 90.6 71.4 -85.0 -17.8 -19.3 13.6 22.2 34 39 A K E < S+J 39 0B 101 -3,-1.4 5,-0.2 -4,-0.4 -1,-0.1 -0.936 74.5 175.1 -98.3 97.3 -23.0 12.5 22.0 35 40 A T E > -J 38 0B 19 3,-1.9 3,-0.6 -2,-0.7 -2,-0.1 -0.541 45.1-104.4-103.1 174.1 -24.4 15.4 19.8 36 41 A P T 3 S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.665 122.0 44.9 -73.5 -15.9 -27.9 15.9 18.3 37 42 A V T 3 S- 0 0 61 1,-0.5 2,-0.2 -29,-0.0 -3,-0.0 0.404 130.2 -76.2-103.2 -0.1 -26.8 14.9 14.8 38 43 A G E < -J 35 0B 23 -3,-0.6 -3,-1.9 -27,-0.0 -1,-0.5 -0.813 57.7 -51.9 138.3-174.2 -24.9 11.9 16.2 39 44 A N E -J 34 0B 39 -2,-0.2 -5,-0.2 -5,-0.2 -6,-0.1 -0.769 40.3-119.9-102.1 137.3 -21.8 10.7 18.0 40 45 A T - 0 0 3 -7,-2.2 -28,-0.2 -2,-0.3 -25,-0.1 -0.210 36.2-112.7 -58.0 166.5 -18.1 11.3 17.4 41 46 A D S S- 0 0 31 -27,-1.0 25,-2.5 -30,-0.5 2,-0.3 0.794 83.5 -22.6 -73.7 -26.0 -16.3 8.0 16.8 42 47 A A E -bc 15 66A 0 -28,-1.4 -26,-2.2 23,-0.3 2,-0.3 -0.975 56.4-114.4-168.1 166.8 -14.3 8.2 20.0 43 48 A I E -bc 16 67A 0 23,-2.7 25,-3.1 -2,-0.3 2,-0.5 -0.866 22.2-141.3-113.7 163.5 -12.9 10.3 22.7 44 49 A F E +bc 17 68A 47 -28,-3.3 -26,-0.5 -2,-0.3 2,-0.3 -0.929 36.6 144.8-129.4 114.4 -9.2 10.8 23.4 45 50 A I - 0 0 3 23,-2.3 25,-0.5 -2,-0.5 5,-0.1 -0.861 51.9 -74.1-142.0 171.3 -8.0 10.9 27.0 46 51 A Y > - 0 0 73 -2,-0.3 3,-1.6 23,-0.2 4,-0.3 -0.369 48.4-117.9 -65.7 141.2 -5.4 10.1 29.5 47 52 A P G > S+ 0 0 14 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.898 109.6 62.6 -53.4 -38.6 -5.3 6.4 30.4 48 53 A R G 3 S+ 0 0 76 1,-0.3 4,-0.4 2,-0.1 268,-0.0 0.832 101.4 55.5 -57.1 -26.5 -6.1 6.9 34.1 49 54 A F G <> S+ 0 0 10 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.378 79.3 95.2 -89.5 2.0 -9.5 8.4 33.1 50 55 A I H <> S+ 0 0 0 -3,-2.5 4,-2.9 -4,-0.3 -1,-0.2 0.859 80.4 50.8 -61.0 -43.6 -10.6 5.4 31.0 51 56 A P H > S+ 0 0 9 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.945 113.3 45.7 -63.8 -43.1 -12.7 3.6 33.6 52 57 A I H > S+ 0 0 30 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.932 115.1 46.8 -67.3 -39.5 -14.6 6.6 34.5 53 58 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.929 107.0 57.2 -64.6 -45.8 -15.2 7.6 30.8 54 59 A R H X S+ 0 0 74 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.912 110.5 45.7 -54.6 -36.9 -16.2 4.0 29.9 55 60 A K H X S+ 0 0 39 -4,-1.8 4,-3.6 2,-0.2 -2,-0.2 0.928 110.9 49.5 -69.4 -51.5 -18.9 4.3 32.6 56 61 A T H X S+ 0 0 13 -4,-2.3 4,-2.1 1,-0.2 6,-0.2 0.906 113.2 49.1 -51.7 -47.2 -20.2 7.8 31.6 57 62 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 -1,-0.2 0.875 113.3 46.2 -64.4 -43.2 -20.4 6.6 28.0 58 63 A K H ><5S+ 0 0 165 -4,-2.1 3,-1.8 -5,-0.3 -2,-0.2 0.956 111.6 51.7 -65.1 -46.6 -22.3 3.4 29.0 59 64 A E H 3<5S+ 0 0 153 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.887 106.4 54.2 -60.6 -31.0 -24.7 5.3 31.2 60 65 A Q T 3<5S- 0 0 32 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.336 120.6 -99.2 -89.5 5.9 -25.6 7.8 28.6 61 66 A G T < 5S+ 0 0 50 -3,-1.8 -3,-0.2 -4,-0.2 3,-0.2 0.608 95.6 102.8 89.8 16.1 -26.7 5.3 25.9 62 67 A T > < + 0 0 2 -5,-2.2 3,-1.3 -6,-0.2 -4,-0.1 -0.358 22.8 145.9-132.7 62.2 -23.4 5.4 23.8 63 68 A P T 3 S+ 0 0 87 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.658 70.7 68.6 -68.0 -18.1 -21.3 2.3 24.5 64 69 A E T 3 S+ 0 0 115 -3,-0.2 2,-0.4 -7,-0.1 -2,-0.1 0.561 71.0 102.9 -84.2 -12.8 -20.1 2.3 20.9 65 70 A I S < S- 0 0 2 -3,-1.3 -23,-0.3 -8,-0.1 -24,-0.1 -0.584 73.4-131.8 -67.4 127.4 -18.1 5.5 21.3 66 71 A R E -c 42 0A 63 -25,-2.5 -23,-2.7 -2,-0.4 2,-0.5 -0.405 5.9-135.4 -86.4 160.6 -14.5 4.4 21.5 67 72 A I E -c 43 0A 0 -25,-0.2 29,-2.6 27,-0.2 30,-1.4 -0.965 22.3-175.5-121.4 117.7 -11.9 5.4 24.0 68 73 A C E +cd 44 97A 3 -25,-3.1 -23,-2.3 -2,-0.5 2,-0.2 -0.849 6.5 175.2-111.7 150.6 -8.5 6.2 22.6 69 74 A T E - d 0 98A 0 28,-1.9 30,-3.6 -2,-0.3 2,-0.3 -0.814 20.2-117.4-149.0-178.8 -5.4 7.1 24.7 70 75 A S E - d 0 99A 7 -25,-0.5 2,-0.3 28,-0.2 30,-0.2 -0.917 16.9-175.5-134.0 150.1 -1.7 7.8 24.6 71 76 A T E S+ d 0 100A 3 28,-2.0 30,-1.8 -2,-0.3 12,-0.1 -0.914 74.4 27.2-139.6 162.5 1.6 6.3 25.8 72 77 A N S > S- 0 0 8 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.810 105.7-164.8 52.1 33.9 5.3 7.5 25.7 73 78 A F T 4 - 0 0 33 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 -0.855 38.4 -11.6-121.0 138.2 3.4 10.8 25.6 74 79 A P T 4 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 95,-0.1 -1.000 130.2 47.4 -94.6 2.0 4.0 13.6 24.9 75 80 A H T 4 S- 0 0 107 1,-0.1 -2,-0.2 28,-0.0 29,-0.1 0.765 76.7-146.1 -79.5 -29.9 7.8 13.3 24.7 76 81 A G < - 0 0 1 -4,-2.3 29,-0.5 27,-0.1 30,-0.4 0.933 28.3-177.6 61.2 46.8 8.5 10.2 22.7 77 82 A N - 0 0 79 -5,-0.2 -1,-0.1 26,-0.1 27,-0.1 -0.227 33.0-116.6 -61.7 169.2 11.6 9.2 24.6 78 83 A D S S+ 0 0 91 25,-0.1 2,-0.7 24,-0.1 -1,-0.1 0.056 73.4 117.5-105.3 21.5 13.5 6.1 23.4 79 84 A D > - 0 0 39 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.826 43.5-169.0 -88.4 117.4 13.1 3.9 26.4 80 85 A I H > S+ 0 0 54 -2,-0.7 4,-3.6 2,-0.2 5,-0.2 0.860 81.4 58.8 -72.4 -43.0 11.2 0.9 25.2 81 86 A D H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 110.7 42.7 -50.6 -48.8 10.5 -0.6 28.6 82 87 A I H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.925 114.9 48.9 -69.5 -45.0 8.7 2.6 29.7 83 88 A A H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.935 116.2 44.5 -65.8 -44.8 6.8 2.9 26.5 84 89 A L H X S+ 0 0 48 -4,-3.6 4,-2.4 2,-0.2 -1,-0.2 0.861 111.0 50.1 -62.0 -44.8 5.8 -0.7 26.6 85 90 A A H X S+ 0 0 19 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.917 111.4 52.0 -64.8 -39.6 4.8 -0.9 30.4 86 91 A E H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.847 109.7 48.8 -59.2 -34.9 2.6 2.3 29.7 87 92 A T H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.889 106.9 55.3 -76.3 -41.0 1.0 0.6 26.8 88 93 A R H X S+ 0 0 79 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.803 110.2 46.2 -61.2 -29.0 0.3 -2.5 28.9 89 94 A A H X S+ 0 0 0 -4,-1.3 4,-3.8 2,-0.2 -2,-0.2 0.866 106.9 56.3 -84.0 -40.3 -1.5 -0.4 31.4 90 95 A A H X>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 4,-1.0 0.916 110.6 47.1 -47.6 -48.0 -3.5 1.5 28.8 91 96 A I H ><5S+ 0 0 36 -4,-2.1 3,-1.1 2,-0.2 -2,-0.2 0.955 111.7 49.7 -63.0 -49.2 -4.7 -1.9 27.7 92 97 A A H 3<5S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.901 104.8 58.7 -61.7 -39.4 -5.4 -3.0 31.3 93 98 A Y H 3<5S- 0 0 14 -4,-3.8 -1,-0.3 222,-0.1 -2,-0.2 0.796 126.8 -94.7 -54.1 -32.2 -7.4 0.2 31.9 94 99 A G T <<5 + 0 0 29 -3,-1.1 -3,-0.2 -4,-1.0 -27,-0.2 0.455 62.1 166.8 128.3 1.6 -9.8 -0.6 29.0 95 100 A A < - 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0 0 13 -2,-0.6 28,-0.3 1,-0.3 29,-0.1 -0.223 54.0 -19.9 -93.8-161.0 0.4 20.1 14.5 174 179 A A - 0 0 5 26,-3.1 -1,-0.3 -2,-0.1 3,-0.1 0.050 56.1-170.4 -32.6 136.3 -0.9 18.7 11.1 175 180 A T > - 0 0 51 -3,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.939 38.9-112.2-128.8 158.6 -0.4 20.6 7.9 176 181 A P H > S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.916 122.4 53.1 -51.2 -36.6 -2.0 19.8 4.5 177 182 A E H > S+ 0 0 124 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 109.4 42.5 -70.5 -44.7 1.6 19.0 3.6 178 183 A S H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.839 115.0 53.2 -66.4 -33.4 2.5 16.5 6.4 179 184 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.965 111.7 43.3 -70.6 -42.9 -0.8 15.0 6.0 180 185 A R H X S+ 0 0 71 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.929 112.2 53.4 -63.4 -43.4 -0.2 14.4 2.4 181 186 A I H X S+ 0 0 11 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.951 112.0 45.8 -58.6 -41.7 3.3 13.2 2.9 182 187 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 3,-0.3 0.936 113.5 46.5 -69.6 -49.3 2.0 10.6 5.4 183 188 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.883 107.2 59.8 -54.5 -42.2 -0.9 9.3 3.3 184 189 A E H X S+ 0 0 55 -4,-3.0 4,-4.1 -5,-0.3 -1,-0.2 0.883 102.3 52.9 -53.7 -40.6 1.5 9.2 0.4 185 190 A V H X S+ 0 0 7 -4,-1.6 4,-2.1 -3,-0.3 6,-0.3 0.890 107.6 50.8 -61.5 -39.3 3.6 6.7 2.5 186 191 A I H X>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 4,-0.7 0.958 116.8 41.1 -60.7 -47.4 0.4 4.6 3.0 187 192 A R H ><5S+ 0 0 99 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.983 112.5 53.7 -66.3 -53.9 -0.1 4.6 -0.8 188 193 A D H 3<5S+ 0 0 105 -4,-4.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 113.6 43.4 -54.6 -27.1 3.6 4.2 -1.6 189 194 A M H 3<5S- 0 0 72 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.600 107.7-124.8 -97.1 -3.3 3.7 1.0 0.6 190 195 A G T <<5S+ 0 0 51 -3,-1.8 3,-0.4 -4,-0.7 -3,-0.2 0.750 72.1 127.6 74.3 25.9 0.4 -0.3 -0.6 191 196 A V >>< + 0 0 28 -5,-2.2 3,-2.0 -6,-0.3 4,-1.6 0.293 16.0 123.5-105.9 15.3 -1.0 -0.5 2.9 192 197 A E T 34 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.3 -5,-0.1 0.724 74.8 56.1 -43.4 -30.8 -4.3 1.4 2.6 193 198 A K T 34 S+ 0 0 186 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.808 118.7 28.6 -75.4 -31.3 -6.2 -1.6 3.9 194 199 A T T <4 S+ 0 0 74 -3,-2.0 2,-0.4 1,-0.1 -2,-0.2 0.478 113.1 61.4-111.0 -3.0 -4.2 -1.9 7.2 195 200 A V < - 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0 0 35 -4,-2.3 3,-0.9 -5,-0.3 4,-0.5 -0.197 47.6 -77.6 96.7 162.0 -11.1 7.2 -3.5 222 227 A A T 3 S+ 0 0 61 1,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.653 123.6 60.4 -75.2 -15.8 -14.1 8.4 -1.4 223 228 A D T 3 S+ 0 0 156 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.553 87.2 77.0 -85.8 -11.4 -14.8 5.1 0.4 224 229 A W S < S+ 0 0 25 -3,-0.9 2,-3.3 1,-0.2 5,-0.3 0.974 75.0 70.8 -72.1 -52.4 -11.4 4.8 2.0 225 230 A A + 0 0 5 -4,-0.5 -1,-0.2 -12,-0.1 2,-0.1 -0.273 64.6 146.0 -69.9 61.8 -11.7 7.3 4.9 226 231 A D S >> S- 0 0 79 -2,-3.3 4,-1.9 -3,-0.2 3,-1.1 -0.360 71.2 -86.5 -80.8 176.5 -14.1 5.2 7.0 227 232 A A T 34 S+ 0 0 41 1,-0.3 -2,-0.1 2,-0.2 -1,-0.0 0.861 129.9 55.1 -62.3 -32.7 -13.8 5.5 10.9 228 233 A R T 34 S+ 0 0 77 1,-0.2 -1,-0.3 -32,-0.0 -32,-0.1 0.847 118.0 34.8 -59.4 -33.6 -11.1 2.7 10.9 229 234 A H T <4 S+ 0 0 25 -3,-1.1 -32,-3.0 -5,-0.3 2,-0.4 0.591 120.7 36.0-107.7 -10.0 -8.9 4.6 8.4 230 235 A Y B < +h 197 0A 1 -4,-1.9 2,-0.3 -34,-0.2 -32,-0.2 -0.996 55.5 164.0-150.2 135.2 -9.4 8.3 9.2 231 236 A A - 0 0 2 -34,-1.4 2,-0.7 -2,-0.4 -217,-0.2 -0.983 31.0-134.2-143.9 153.0 -9.9 10.3 12.4 232 237 A F E -a 14 0A 0 -219,-1.1 -217,-3.0 -2,-0.3 2,-1.4 -0.962 18.1-152.2-106.5 111.8 -9.7 14.0 13.3 233 238 A G E +ai 15 200A 13 -34,-2.6 -32,-1.0 -2,-0.7 2,-0.3 -0.737 49.1 125.2 -81.5 96.6 -7.8 14.2 16.5 234 239 A A E -a 16 0A 18 -219,-1.4 -217,-2.4 -2,-1.4 -190,-0.1 -0.899 49.3-110.6-151.4-176.0 -9.3 17.4 17.8 235 240 A S E >> -a 17 0A 24 -2,-0.3 4,-1.8 -219,-0.2 3,-0.9 -0.373 48.7 -71.3-114.3-175.5 -11.1 19.3 20.4 236 241 A A H 3> S+ 0 0 25 -219,-0.6 4,-2.2 1,-0.2 5,-0.1 0.742 120.2 57.4 -47.7 -37.2 -14.4 21.0 21.3 237 242 A S H 3> S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 104.5 47.6 -75.8 -36.6 -13.9 23.9 18.8 238 243 A L H <> S+ 0 0 4 -3,-0.9 4,-2.6 2,-0.2 3,-0.5 0.977 113.6 51.7 -59.7 -48.6 -13.6 21.9 15.7 239 244 A L H X S+ 0 0 9 -4,-1.8 4,-2.2 1,-0.3 -2,-0.2 0.864 109.4 48.8 -55.4 -40.8 -16.7 20.0 16.9 240 245 A A H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -1,-0.3 0.814 110.7 50.6 -70.2 -31.8 -18.6 23.3 17.4 241 246 A S H X S+ 0 0 32 -4,-1.9 4,-2.4 -3,-0.5 -2,-0.2 0.906 110.7 50.0 -68.5 -40.9 -17.6 24.5 13.9 242 247 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.919 113.7 44.3 -60.7 -47.6 -18.8 21.2 12.5 243 248 A L H >< S+ 0 0 48 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 0.887 109.7 56.5 -67.8 -41.2 -22.1 21.5 14.3 244 249 A K H >< S+ 0 0 95 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.899 106.1 50.5 -54.8 -44.0 -22.4 25.2 13.4 245 250 A A H 3< S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.648 109.1 53.2 -72.9 -13.0 -22.2 24.3 9.6 246 251 A L T << 0 0 41 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.319 360.0 360.0 -95.9 8.0 -24.9 21.7 10.2 247 252 A G < 0 0 100 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.248 360.0 360.0 79.7 360.0 -27.2 24.3 11.8 248 !* 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 0.0 249 27 B T > 0 0 112 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 159.6 5.3 15.3 38.0 250 28 B D H > + 0 0 81 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.929 360.0 55.9 -62.1 -47.1 8.2 13.3 36.5 251 29 B E H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 108.7 44.9 -51.9 -51.1 10.6 15.8 38.0 252 30 B N H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.788 113.0 51.2 -71.7 -21.3 9.2 15.4 41.6 253 31 B V H X S+ 0 0 11 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.846 108.0 52.5 -80.5 -32.7 9.1 11.5 41.3 254 32 B I H >X S+ 0 0 61 -4,-2.3 4,-1.6 2,-0.2 3,-0.8 0.988 112.5 44.2 -66.9 -55.2 12.7 11.4 40.1 255 33 B A H 3X S+ 0 0 46 -4,-2.2 4,-3.5 1,-0.3 5,-0.2 0.888 109.3 57.9 -52.0 -44.7 13.8 13.5 43.2 256 34 B L H 3X S+ 0 0 54 -4,-1.9 4,-1.5 1,-0.3 -1,-0.3 0.884 104.0 52.0 -52.2 -41.1 11.6 11.4 45.4 257 35 B C H < S+ 0 0 101 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.938 107.8 55.3 -66.8 -47.3 16.8 10.2 45.2 259 37 B Q H 3< S+ 0 0 98 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 101.3 61.6 -51.6 -32.9 15.4 11.3 48.6 260 38 B A H 3< S+ 0 0 5 -4,-1.5 7,-2.1 -5,-0.2 2,-0.9 0.726 89.6 71.0 -71.9 -26.9 14.7 7.7 49.3 261 39 B K E << S+K 266 0C 111 -3,-1.4 5,-0.2 -4,-0.6 -1,-0.1 -0.829 77.1 176.1 -89.7 101.9 18.4 6.6 49.1 262 40 B T E > -K 265 0C 21 3,-1.5 3,-1.2 -2,-0.9 -2,-0.1 -0.591 45.9-104.9-112.3 172.3 19.8 8.2 52.2 263 41 B P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.725 120.0 45.8 -73.1 -15.4 23.1 8.3 54.0 264 42 B V T 3 S- 0 0 78 1,-0.4 2,-0.2 0, 0.0 -3,-0.0 0.371 129.4 -68.5-100.2 7.7 21.9 5.8 56.7 265 43 B G E < -K 262 0C 38 -3,-1.2 -3,-1.5 2,-0.0 -1,-0.4 -0.761 64.3 -60.9 126.8 179.2 20.2 3.3 54.3 266 44 B N E -K 261 0C 63 -2,-0.2 -5,-0.2 -5,-0.2 -6,-0.1 -0.779 40.3-113.5-104.6 144.2 17.2 3.3 52.0 267 45 B T - 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0 0 34 -4,-2.0 3,-2.1 -5,-0.4 4,-0.4 0.148 48.0 -80.3 92.6 145.9 6.5 -8.9 70.1 449 227 B A T 3 S+ 0 0 70 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.564 122.7 60.0 -64.1 -15.2 9.4 -6.9 68.9 450 228 B D T 3 S+ 0 0 161 -3,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.541 85.8 78.6 -87.1 -9.6 10.3 -9.1 65.9 451 229 B W S < S+ 0 0 27 -3,-2.1 2,-2.7 1,-0.2 5,-0.2 0.918 72.1 76.4 -67.1 -40.3 7.0 -8.7 64.1 452 230 B A + 0 0 26 -4,-0.4 -1,-0.2 -3,-0.2 2,-0.1 -0.232 61.9 145.5 -78.2 54.5 7.4 -5.3 62.6 453 231 B D S >> S- 0 0 79 -2,-2.7 3,-2.1 -3,-0.3 4,-1.6 -0.347 71.6 -84.3 -74.0 170.4 9.6 -6.2 59.6 454 232 B A T 34 S+ 0 0 58 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.776 129.9 53.5 -45.9 -37.7 9.4 -4.4 56.3 455 233 B R T 34 S+ 0 0 75 1,-0.2 -1,-0.3 -32,-0.0 -32,-0.2 0.700 115.6 37.1 -66.0 -27.1 6.5 -6.8 55.2 456 234 B H T <4 S+ 0 0 21 -3,-2.1 -32,-2.7 1,-0.2 2,-0.3 0.526 119.4 35.2-116.1 -7.5 4.3 -6.2 58.3 457 235 B Y B < +q 424 0D 15 -4,-1.6 2,-0.4 -34,-0.2 -1,-0.2 -0.984 55.9 165.5-151.2 136.8 4.8 -2.5 59.0 458 236 B A - 0 0 36 -34,-1.3 2,-0.7 -2,-0.3 -5,-0.0 -0.998 29.2-137.4-147.6 147.5 5.3 0.7 57.0 459 237 B F - 0 0 56 -2,-0.4 2,-1.0 -34,-0.2 -32,-0.2 -0.921 17.3-156.7 -99.3 110.0 5.2 4.4 57.6 460 238 B G B +r 427 0E 29 -34,-2.2 -32,-1.3 -2,-0.7 2,-0.3 -0.794 46.1 122.0 -88.3 104.2 3.4 6.0 54.7 461 239 B A - 0 0 62 -2,-1.0 -190,-0.1 -34,-0.2 2,-0.1 -0.912 49.5-125.2-150.8 171.5 4.8 9.5 55.0 462 240 B S > - 0 0 79 -2,-0.3 4,-1.6 4,-0.0 3,-0.4 -0.238 54.2 -52.7-107.8-151.8 6.7 12.1 53.0 463 241 B A H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.665 120.1 62.8 -66.1 -29.0 9.8 14.3 53.4 464 242 B S H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.965 107.1 42.2 -68.0 -49.1 9.0 15.8 56.8 465 243 B L H > S+ 0 0 8 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.923 115.3 51.6 -59.4 -43.4 9.1 12.6 58.7 466 244 B L H X S+ 0 0 36 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.939 110.5 48.1 -58.6 -48.5 12.2 11.4 56.8 467 245 B A H X S+ 0 0 56 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.906 112.4 49.0 -56.7 -43.4 14.0 14.6 57.6 468 246 B S H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.865 111.1 49.5 -72.0 -34.4 13.0 14.2 61.2 469 247 B L H X S+ 0 0 63 -4,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.911 114.7 46.0 -62.3 -41.6 14.2 10.6 61.2 470 248 B L H <>S+ 0 0 31 -4,-2.8 5,-1.6 2,-0.2 3,-0.4 0.889 110.2 51.7 -70.9 -39.3 17.5 11.7 59.6 471 249 B K H ><5S+ 0 0 67 -4,-3.2 3,-1.6 4,-0.4 -1,-0.2 0.895 105.4 57.2 -66.0 -37.9 17.9 14.7 62.1 472 250 B A H 3<5S+ 0 0 67 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.825 108.3 48.4 -53.8 -33.7 17.4 12.2 64.9 473 251 B L T 3<5S- 0 0 110 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.304 130.8 -87.8 -94.3 10.2 20.4 10.3 63.5 474 252 B G T < 5 0 0 68 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.740 360.0 360.0 91.6 27.8 22.8 13.3 63.0 475 253 B H < 0 0 129 -5,-1.6 -4,-0.4 -8,-0.2 -5,-0.1 0.562 360.0 360.0-139.5 360.0 21.8 14.4 59.5