==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-AUG-05 2C0A . COMPND 2 MOLECULE: KHG/KDPG ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.HUTCHINS,S.W.B.FULLERTON,E.J.TOONE,J.H.NAISMITH . 640 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 50 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 0 4 5 0 1 9 5 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 6 6 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 3 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 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 0 106 0, 0.0 127,-0.0 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 -25.8 -7.9 0.5 51.1 2 2 A K + 0 0 190 2,-0.1 103,-0.0 1,-0.0 0, 0.0 0.525 360.0 128.0 85.9 1.0 -7.3 4.2 51.2 3 3 A N + 0 0 67 102,-0.3 2,-0.7 1,-0.1 3,-0.1 0.599 47.4 75.0 -77.5 -14.4 -5.2 3.7 54.3 4 4 A W - 0 0 44 1,-0.2 105,-0.1 105,-0.1 104,-0.1 -0.866 49.7-172.7-110.0 113.4 -2.0 5.5 53.4 5 5 A K S S+ 0 0 215 -2,-0.7 2,-0.6 103,-0.6 -1,-0.2 0.825 85.3 55.7 -69.8 -30.1 -2.0 9.3 53.3 6 6 A T S S- 0 0 53 102,-0.4 -1,-0.1 83,-0.1 2,-0.1 -0.915 90.2-138.0-100.6 119.8 1.5 9.1 51.8 7 7 A S > - 0 0 59 -2,-0.6 4,-1.3 1,-0.1 3,-0.1 -0.434 12.4-127.6 -76.2 153.6 1.5 7.0 48.6 8 8 A A H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.902 111.4 57.4 -62.9 -37.3 4.4 4.5 48.0 9 9 A E H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 100.9 55.9 -63.1 -35.2 4.9 6.2 44.6 10 10 A S H > S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.877 105.5 52.0 -65.4 -34.7 5.4 9.6 46.2 11 11 A I H >< S+ 0 0 1 -4,-1.3 3,-0.7 -3,-0.3 4,-0.4 0.942 113.3 44.0 -63.6 -45.3 8.3 8.2 48.3 12 12 A L H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.695 114.0 49.1 -77.1 -19.3 10.0 6.7 45.2 13 13 A T H 3< S+ 0 0 68 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.449 82.5 90.9-102.4 3.6 9.6 9.7 43.0 14 14 A T S << S- 0 0 45 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.916 107.5 -21.0 -62.8 -43.2 10.8 12.4 45.5 15 15 A G - 0 0 29 -4,-0.4 -1,-0.2 -3,-0.2 26,-0.1 -0.939 67.3-100.8-156.5 174.7 14.4 12.0 44.1 16 16 A P S S+ 0 0 36 0, 0.0 165,-2.2 0, 0.0 2,-0.4 0.672 99.6 45.6 -78.5 -20.9 16.5 9.5 42.2 17 17 A V E -a 181 0A 6 163,-0.2 26,-0.4 187,-0.1 165,-0.2 -0.990 56.3-166.3-131.5 136.7 18.5 8.0 45.1 18 18 A V E -a 182 0A 7 163,-2.5 165,-1.6 -2,-0.4 2,-0.2 -0.977 27.7-131.6-117.9 113.1 17.4 6.8 48.5 19 19 A P E -a 183 0A 0 0, 0.0 26,-1.6 0, 0.0 2,-0.8 -0.481 6.2-138.4 -70.2 137.5 20.3 6.3 50.9 20 20 A V E -c 45 0B 9 163,-1.8 2,-0.5 -2,-0.2 167,-0.3 -0.873 30.3-156.9 -91.9 105.7 20.5 3.0 52.8 21 21 A I E -c 46 0B 0 24,-2.8 26,-2.7 -2,-0.8 2,-0.5 -0.780 23.2-179.0-100.9 127.5 21.5 4.2 56.2 22 22 A V - 0 0 52 -2,-0.5 2,-0.5 165,-0.4 26,-0.1 -0.984 13.8-177.6-118.9 112.1 23.3 2.2 58.9 23 23 A V + 0 0 0 -2,-0.5 29,-0.3 24,-0.3 33,-0.1 -0.956 14.8 176.1-119.6 114.5 23.9 4.4 61.9 24 24 A K S S+ 0 0 174 -2,-0.5 2,-0.5 1,-0.2 28,-0.2 0.831 70.3 50.9 -86.8 -35.0 25.7 2.9 64.9 25 25 A K S > S- 0 0 118 1,-0.1 3,-1.9 26,-0.1 4,-0.3 -0.936 71.4-146.5-110.3 125.5 25.9 5.9 67.1 26 26 A L G > S+ 0 0 65 -2,-0.5 3,-1.8 1,-0.3 4,-0.5 0.809 95.0 65.6 -56.4 -35.3 22.7 7.9 67.8 27 27 A E G 3 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.708 97.5 57.1 -64.5 -19.3 24.5 11.2 68.0 28 28 A H G <> S+ 0 0 33 -3,-1.9 4,-1.9 1,-0.1 -1,-0.3 0.599 86.6 81.7 -83.0 -16.2 25.4 10.9 64.3 29 29 A A H <> S+ 0 0 1 -3,-1.8 4,-2.5 -4,-0.3 5,-0.2 0.940 91.8 41.0 -64.1 -52.3 21.8 10.6 63.1 30 30 A V H > S+ 0 0 14 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.946 117.1 46.2 -67.2 -48.8 20.6 14.2 63.0 31 31 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.875 113.5 52.4 -60.0 -32.6 23.8 15.8 61.6 32 32 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 110.1 47.3 -65.6 -45.6 23.9 13.0 59.0 33 33 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.920 112.7 48.9 -64.5 -42.1 20.2 13.6 58.0 34 34 A K H X S+ 0 0 103 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.889 109.4 53.0 -61.6 -36.2 20.9 17.4 57.7 35 35 A A H X S+ 0 0 7 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.903 110.1 47.5 -68.8 -42.5 24.0 16.7 55.6 36 36 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.9 0.944 111.8 49.9 -61.4 -46.5 22.0 14.5 53.2 37 37 A V H ><5S+ 0 0 30 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.882 106.0 56.2 -60.7 -40.2 19.3 17.2 53.0 38 38 A A H 3<5S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.746 106.4 51.5 -63.0 -23.9 21.9 19.9 52.3 39 39 A G T <<5S- 0 0 7 -3,-0.9 169,-0.3 -4,-0.9 -1,-0.3 0.354 126.8-101.6 -94.5 3.4 23.1 17.7 49.3 40 40 A G T < 5S+ 0 0 51 -3,-1.6 2,-0.6 1,-0.3 -3,-0.2 0.547 86.1 121.2 91.8 13.9 19.5 17.5 48.0 41 41 A V < + 0 0 4 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.934 23.6 156.6-111.7 118.5 18.7 14.0 49.2 42 42 A R + 0 0 127 -2,-0.6 26,-3.5 -3,-0.1 2,-0.6 0.357 43.1 87.0-136.4 9.3 15.7 13.9 51.5 43 43 A V E - d 0 68B 6 -26,-0.4 2,-0.6 24,-0.2 26,-0.2 -0.966 63.8-165.4-105.0 116.5 14.1 10.5 51.6 44 44 A L E - d 0 69B 0 24,-2.4 26,-2.6 -2,-0.6 2,-1.0 -0.912 15.0-161.1-116.3 113.0 16.1 8.8 54.3 45 45 A N E -cd 20 70B 5 -26,-1.6 -24,-2.8 -2,-0.6 2,-0.8 -0.790 10.1-167.4 -93.7 98.4 15.9 5.0 54.7 46 46 A V E -cd 21 71B 0 24,-2.4 26,-2.3 -2,-1.0 2,-0.2 -0.773 18.9-138.8 -89.0 112.2 17.2 4.3 58.3 47 47 A T E - d 0 72B 0 -26,-2.7 2,-2.0 -2,-0.8 3,-0.5 -0.447 9.7-129.0 -78.7 144.5 17.8 0.6 58.4 48 48 A L S S+ 0 0 22 24,-2.5 -1,-0.1 1,-0.2 -26,-0.1 -0.397 78.8 108.7 -85.0 62.5 16.8 -1.5 61.5 49 49 A R + 0 0 90 -2,-2.0 2,-0.3 -26,-0.1 -1,-0.2 0.315 69.2 53.1-119.1 1.4 20.3 -3.0 61.6 50 50 A T S > S- 0 0 31 -3,-0.5 3,-1.5 1,-0.1 4,-0.3 -0.964 84.5-114.0-138.0 156.8 21.6 -1.3 64.7 51 51 A E T 3 S+ 0 0 200 -2,-0.3 3,-0.4 1,-0.3 4,-0.3 0.844 114.7 48.8 -55.6 -36.8 20.4 -0.9 68.3 52 52 A C T 3> S+ 0 0 15 -29,-0.3 4,-2.5 -28,-0.2 -1,-0.3 0.453 80.3 103.7 -88.7 1.8 19.9 2.9 67.9 53 53 A A H <> S+ 0 0 1 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.858 80.7 44.7 -57.3 -46.2 18.0 2.8 64.7 54 54 A V H > S+ 0 0 24 -3,-0.4 4,-2.8 -4,-0.3 -1,-0.2 0.936 114.3 50.0 -67.4 -40.5 14.5 3.5 66.0 55 55 A D H > S+ 0 0 86 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.877 109.4 53.5 -60.8 -36.1 15.8 6.3 68.2 56 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.929 109.1 47.9 -62.7 -47.4 17.6 7.7 65.2 57 57 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.941 111.8 50.6 -56.8 -46.6 14.2 7.7 63.2 58 58 A R H X S+ 0 0 77 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.911 112.6 45.8 -58.9 -44.5 12.5 9.3 66.1 59 59 A A H X S+ 0 0 20 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.929 114.1 47.1 -68.3 -44.1 15.2 12.1 66.4 60 60 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 7,-0.2 0.908 108.7 55.9 -63.3 -39.9 15.2 12.7 62.6 61 61 A A H < S+ 0 0 32 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.865 117.1 36.4 -59.2 -35.2 11.4 12.8 62.5 62 62 A K H < S+ 0 0 169 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.851 125.9 34.1 -86.4 -38.3 11.4 15.5 65.1 63 63 A E H < S+ 0 0 109 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.641 113.6 50.3-102.0 -11.2 14.5 17.6 64.2 64 64 A V >< + 0 0 1 -4,-2.4 3,-2.2 -5,-0.3 -1,-0.2 -0.634 52.0 165.1-132.0 70.9 14.8 17.5 60.4 65 65 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.628 73.9 69.5 -65.1 -11.8 11.4 18.4 58.9 66 66 A E T 3 S+ 0 0 94 -3,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.465 95.7 68.5 -82.7 -4.4 13.1 19.0 55.5 67 67 A A S < S- 0 0 2 -3,-2.2 2,-0.7 -7,-0.2 -24,-0.2 -0.860 74.2-140.7-110.2 152.6 13.6 15.2 55.3 68 68 A I E -d 43 0B 42 -26,-3.5 -24,-2.4 -2,-0.3 2,-0.3 -0.957 30.4-161.3-104.5 110.2 11.1 12.4 55.0 69 69 A V E +d 44 0B 0 -2,-0.7 20,-2.9 18,-0.2 21,-0.3 -0.746 17.2 162.8 -99.5 139.9 12.4 9.7 57.3 70 70 A G E -d 45 0B 0 -26,-2.6 -24,-2.4 -2,-0.3 2,-0.4 -0.819 32.8-105.1-139.0-178.0 11.5 6.1 57.1 71 71 A A E -de 46 91B 0 19,-2.2 21,-2.8 -2,-0.3 -24,-0.2 -0.902 25.7-166.1-114.9 144.2 12.6 2.7 58.2 72 72 A G E +d 47 0B 0 -26,-2.3 -24,-2.5 -2,-0.4 21,-0.2 -0.731 67.6 40.8-122.7 171.3 14.4 -0.1 56.3 73 73 A T S S+ 0 0 3 -2,-0.2 2,-0.7 1,-0.2 20,-0.2 0.851 71.0 166.4 57.3 38.1 15.0 -3.8 57.0 74 74 A V + 0 0 0 18,-2.2 -1,-0.2 -3,-0.2 17,-0.0 -0.753 7.2 173.8 -83.4 116.8 11.5 -3.9 58.5 75 75 A L + 0 0 23 -2,-0.7 25,-0.2 -3,-0.1 -1,-0.2 0.601 51.7 5.2-102.0 -15.0 11.0 -7.7 58.8 76 76 A N S > S- 0 0 39 24,-0.1 4,-2.4 23,-0.1 5,-0.1 -0.950 79.7 -88.0-166.0 165.3 7.7 -8.1 60.6 77 77 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.809 118.4 60.6 -61.8 -29.6 4.6 -6.4 62.0 78 78 A Q H > S+ 0 0 144 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.961 110.7 41.0 -59.1 -52.4 6.3 -5.9 65.4 79 79 A Q H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.890 111.8 56.3 -62.4 -40.4 9.0 -3.8 63.8 80 80 A L H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.919 108.8 46.6 -56.9 -43.8 6.5 -2.1 61.5 81 81 A A H X S+ 0 0 64 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 111.0 53.7 -67.7 -40.5 4.4 -0.9 64.6 82 82 A E H X S+ 0 0 87 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.918 111.6 42.9 -58.0 -47.7 7.6 0.3 66.3 83 83 A V H X>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-0.9 0.847 111.7 54.8 -72.1 -34.1 8.7 2.5 63.5 84 84 A T H ><5S+ 0 0 46 -4,-2.2 3,-0.9 -5,-0.3 -2,-0.2 0.947 109.9 47.4 -56.9 -47.4 5.2 3.8 62.9 85 85 A E H 3<5S+ 0 0 131 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.863 109.4 54.5 -60.0 -37.0 5.1 4.8 66.6 86 86 A A H 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.628 125.6 -94.7 -77.6 -13.6 8.6 6.5 66.3 87 87 A G T <<5 + 0 0 29 -4,-0.9 -18,-0.2 -3,-0.9 -3,-0.2 0.518 63.1 161.1 111.9 9.2 7.6 8.7 63.4 88 88 A A < - 0 0 6 -5,-2.7 -18,-0.3 1,-0.2 -1,-0.2 -0.371 27.3-158.4 -59.5 137.7 8.6 6.8 60.2 89 89 A Q S S+ 0 0 67 -20,-2.9 2,-0.3 1,-0.2 -19,-0.2 0.517 74.5 4.9 -94.3 -11.3 6.7 8.1 57.2 90 90 A F - 0 0 0 -21,-0.3 -19,-2.2 19,-0.2 2,-0.4 -0.967 66.7-134.4-163.5 165.6 7.3 4.8 55.2 91 91 A A E -ef 71 111B 0 19,-2.5 21,-2.6 -2,-0.3 2,-0.4 -0.990 9.2-163.4-133.1 139.0 8.8 1.3 55.6 92 92 A I E - f 0 112B 8 -21,-2.8 -18,-2.2 -2,-0.4 -2,-0.0 -0.970 8.8-168.9-118.5 137.8 11.1 -0.6 53.4 93 93 A S E - f 0 113B 0 19,-1.4 21,-1.7 -2,-0.4 40,-0.2 -0.919 27.4-132.4-123.0 152.4 11.5 -4.4 53.8 94 94 A P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 240,-0.2 0.776 90.3 -10.7 -78.0 -21.9 14.1 -6.6 52.1 95 95 A G S S- 0 0 0 238,-0.2 19,-0.4 239,-0.1 2,-0.3 -0.821 80.0-105.1-150.0-168.8 11.5 -9.1 51.1 96 96 A L + 0 0 5 -2,-0.2 2,-0.3 17,-0.2 242,-0.2 -0.903 22.7 179.2-132.1 158.0 7.8 -9.7 51.8 97 97 A T > - 0 0 4 -2,-0.3 4,-2.6 240,-0.1 5,-0.2 -0.947 41.2-109.8-141.0 163.8 5.5 -12.0 53.8 98 98 A E H > S+ 0 0 66 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.917 116.4 52.9 -67.4 -40.3 1.7 -12.1 54.2 99 99 A P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.912 113.6 44.6 -62.5 -36.1 1.7 -10.9 57.8 100 100 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 114.6 47.6 -70.7 -43.3 3.9 -8.0 56.9 101 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.911 114.6 47.6 -63.3 -41.6 1.8 -7.1 53.8 102 102 A K H X S+ 0 0 115 -4,-3.1 4,-1.9 -5,-0.2 5,-0.2 0.957 114.4 45.1 -64.4 -49.5 -1.4 -7.4 55.8 103 103 A A H X S+ 0 0 29 -4,-2.5 4,-0.9 -5,-0.3 -2,-0.2 0.891 115.6 48.2 -62.7 -42.4 -0.2 -5.3 58.7 104 104 A A H >< S+ 0 0 0 -4,-2.8 3,-0.7 2,-0.2 5,-0.2 0.956 112.8 45.0 -62.8 -51.3 1.3 -2.7 56.3 105 105 A T H 3< S+ 0 0 22 -4,-2.6 -102,-0.3 1,-0.3 -1,-0.2 0.775 115.9 47.7 -68.3 -24.9 -1.8 -2.3 54.1 106 106 A E H 3< S+ 0 0 122 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.644 108.9 74.6 -80.0 -19.2 -4.1 -2.2 57.1 107 107 A G S << S- 0 0 24 -4,-0.9 -3,-0.1 -3,-0.7 -26,-0.0 -0.070 91.1-102.6 -92.5-169.6 -1.7 0.4 58.7 108 108 A T S S+ 0 0 92 -104,-0.1 -103,-0.6 2,-0.1 -102,-0.4 0.492 89.6 59.8-101.5 -6.1 -1.0 4.1 58.2 109 109 A I S S- 0 0 16 -5,-0.2 -19,-0.2 -105,-0.1 -2,-0.2 -0.952 83.7-102.4-127.5 148.0 2.3 4.2 56.3 110 110 A P - 0 0 0 0, 0.0 -19,-2.5 0, 0.0 2,-0.5 -0.333 26.9-151.9 -68.4 141.6 3.4 2.9 52.9 111 111 A L E -f 91 0B 1 -21,-0.2 -19,-0.2 -10,-0.1 20,-0.2 -0.960 6.9-167.3-108.6 129.4 5.5 -0.2 52.7 112 112 A I E -f 92 0B 1 -21,-2.6 -19,-1.4 -2,-0.5 2,-0.3 -0.939 22.9-163.9-110.7 96.1 7.8 -0.6 49.7 113 113 A P E -f 93 0B 0 0, 0.0 20,-2.3 0, 0.0 2,-0.2 -0.655 15.2-117.5 -90.8 148.4 8.8 -4.3 50.0 114 114 A G E -g 133 0C 0 -21,-1.7 2,-0.3 -19,-0.4 20,-0.2 -0.479 30.1-175.0 -73.3 147.9 11.6 -6.0 48.3 115 115 A I E -g 134 0C 0 18,-2.3 20,-1.6 -2,-0.2 3,-0.1 -0.964 21.9-178.2-135.0 159.3 11.1 -8.8 45.8 116 116 A S S S+ 0 0 13 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.539 71.4 39.8-121.5 -21.1 13.5 -11.1 43.9 117 117 A T S > S- 0 0 7 1,-0.1 4,-2.4 32,-0.0 -1,-0.2 -0.890 78.6-114.4-133.4 162.6 11.0 -13.2 41.9 118 118 A V H > S+ 0 0 0 -2,-0.3 4,-2.8 446,-0.2 406,-0.2 0.858 115.4 57.2 -65.2 -34.6 7.8 -12.8 39.9 119 119 A S H > S+ 0 0 8 2,-0.2 4,-2.2 404,-0.2 -1,-0.2 0.892 107.8 48.1 -61.4 -40.4 5.9 -15.0 42.4 120 120 A E H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 110.8 51.0 -66.9 -41.8 6.9 -12.6 45.1 121 121 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.930 110.0 50.6 -55.5 -46.4 5.8 -9.6 43.0 122 122 A M H X S+ 0 0 2 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.883 106.8 52.7 -62.4 -37.8 2.5 -11.3 42.4 123 123 A L H X S+ 0 0 39 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.934 111.0 48.4 -64.9 -43.8 1.9 -11.9 46.1 124 124 A G H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-1.1 0.917 109.9 51.9 -61.1 -39.0 2.6 -8.2 46.7 125 125 A M H ><5S+ 0 0 64 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.831 99.4 63.5 -66.8 -31.3 0.2 -7.3 43.8 126 126 A D H 3<5S+ 0 0 64 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.756 102.5 51.0 -62.1 -23.8 -2.5 -9.5 45.5 127 127 A Y T <<5S- 0 0 65 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.259 128.4-101.0 -96.2 11.5 -2.3 -7.0 48.4 128 128 A G T < 5S+ 0 0 66 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.481 74.3 144.1 89.3 4.2 -2.8 -4.1 46.0 129 129 A L < + 0 0 14 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.516 21.9 167.9 -81.7 147.9 0.8 -3.0 45.8 130 130 A K + 0 0 100 -2,-0.2 27,-2.5 1,-0.2 2,-0.4 0.333 60.9 70.7-133.8 -1.6 2.5 -1.7 42.6 131 131 A E E + h 0 157C 14 25,-0.2 2,-0.3 -20,-0.2 27,-0.2 -0.990 61.6 168.5-122.6 128.8 5.8 -0.2 43.8 132 132 A F E - 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m 0 283E 7 -26,-0.3 2,-0.7 24,-0.2 26,-0.2 -0.835 60.7-167.0 -91.5 109.4 25.7 -35.5 60.5 259 44 B L E - m 0 284E 0 24,-2.5 26,-2.8 -2,-0.8 2,-1.2 -0.870 15.3-161.2-110.9 110.1 24.1 -37.7 57.7 260 45 B N E -lm 235 285E 6 -26,-1.7 -24,-3.0 -2,-0.7 2,-0.9 -0.744 10.3-169.8 -90.2 90.6 21.6 -36.1 55.4 261 46 B V E -lm 236 286E 0 24,-2.4 26,-1.9 -2,-1.2 -24,-0.1 -0.765 19.2-140.8 -85.3 105.7 19.8 -39.2 53.9 262 47 B T E > - m 0 287E 0 -26,-2.3 2,-1.9 -2,-0.9 3,-0.5 -0.392 11.6-126.1 -73.3 144.3 17.7 -37.7 51.1 263 48 B L T 3 S+ 0 0 24 24,-2.6 -1,-0.1 1,-0.2 -26,-0.1 -0.431 79.5 109.2 -84.0 62.5 14.2 -38.9 50.4 264 49 B R T 3 + 0 0 95 -2,-1.9 2,-0.3 -26,-0.1 -1,-0.2 0.328 68.9 51.6-117.8 -1.0 15.1 -39.5 46.7 265 50 B T S X S- 0 0 34 -3,-0.5 3,-1.3 1,-0.1 4,-0.3 -0.943 84.4-113.6-138.3 159.4 15.0 -43.3 46.7 266 51 B E T 3 S+ 0 0 202 -2,-0.3 3,-0.4 1,-0.3 4,-0.3 0.829 114.5 48.2 -62.2 -34.4 12.5 -46.0 47.8 267 52 B C T 3> S+ 0 0 19 -29,-0.3 4,-2.5 -28,-0.2 -1,-0.3 0.438 79.2 103.6 -88.7 -0.3 14.7 -47.3 50.6 268 53 B A H <> S+ 0 0 1 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.886 82.0 46.1 -46.8 -50.0 15.6 -43.9 52.2 269 54 B V H > S+ 0 0 15 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.930 113.7 48.7 -67.1 -41.1 13.3 -44.2 55.2 270 55 B D H > S+ 0 0 82 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.869 109.3 54.9 -64.0 -33.2 14.4 -47.7 55.9 271 56 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.920 107.0 49.9 -64.4 -44.9 18.0 -46.5 55.6 272 57 B I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.952 112.5 47.3 -55.8 -47.5 17.3 -43.8 58.2 273 58 B R H X S+ 0 0 68 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.917 113.0 48.8 -61.5 -43.8 15.8 -46.4 60.6 274 59 B A H X S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.892 113.7 45.3 -64.6 -42.3 18.7 -48.8 60.0 275 60 B I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 7,-0.3 0.920 110.4 54.4 -67.3 -41.6 21.3 -46.1 60.7 276 61 B A H < S+ 0 0 32 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.859 116.7 39.0 -59.9 -33.9 19.5 -44.9 63.7 277 62 B K H < S+ 0 0 151 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.908 127.2 29.2 -81.2 -47.3 19.5 -48.4 65.1 278 63 B E H < S+ 0 0 113 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.681 128.2 35.7 -93.6 -23.0 23.0 -49.6 64.2 279 64 B V >< + 0 0 1 -4,-2.6 3,-2.4 -5,-0.3 -1,-0.2 -0.521 64.5 157.3-127.8 60.9 25.0 -46.5 64.1 280 65 B P T 3 + 0 0 87 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.724 68.4 69.7 -66.8 -13.9 23.5 -44.5 67.0 281 66 B E T 3 S+ 0 0 105 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.551 87.3 82.9 -78.3 -11.2 26.7 -42.5 67.3 282 67 B A S < S- 0 0 2 -3,-2.4 2,-0.9 -7,-0.3 -24,-0.2 -0.637 82.9-130.1 -82.4 154.7 25.8 -40.8 63.9 283 68 B I E -m 258 0E 27 -26,-3.4 -24,-2.5 -2,-0.2 2,-0.3 -0.882 37.1-170.3-102.0 93.1 23.4 -37.9 63.8 284 69 B V E +m 259 0E 1 -2,-0.9 20,-3.5 -26,-0.2 21,-0.4 -0.694 12.6 159.6 -92.8 141.3 21.1 -39.3 61.1 285 70 B G E -m 260 0E 0 -26,-2.8 -24,-2.4 -2,-0.3 2,-0.4 -0.872 34.6-103.2-144.8-174.0 18.5 -37.2 59.5 286 71 B A E -mn 261 306E 0 19,-2.1 21,-2.8 -2,-0.3 -24,-0.3 -0.899 26.4-168.6-119.0 139.7 16.3 -36.9 56.4 287 72 B G E +m 262 0E 0 -26,-1.9 -24,-2.6 -2,-0.4 21,-0.2 -0.707 67.1 43.5-120.3 172.8 16.7 -34.6 53.4 288 73 B T S S+ 0 0 5 -2,-0.2 2,-0.6 1,-0.2 20,-0.2 0.858 70.7 165.8 57.0 38.2 14.4 -33.7 50.5 289 74 B V + 0 0 0 18,-2.1 -1,-0.2 -3,-0.2 17,-0.0 -0.734 6.7 172.1 -85.1 117.1 11.5 -33.5 53.1 290 75 B L + 0 0 27 -2,-0.6 25,-0.2 1,-0.1 -1,-0.1 0.605 51.4 8.2-109.1 -13.0 8.7 -31.8 51.1 291 76 B N S > S- 0 0 48 24,-0.1 4,-2.1 23,-0.1 5,-0.1 -0.947 80.8 -87.9-161.1 169.3 5.6 -31.9 53.3 292 77 B P H > S+ 0 0 52 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.856 119.3 58.3 -57.5 -35.7 4.1 -32.7 56.7 293 78 B Q H > S+ 0 0 157 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.944 109.4 43.0 -60.1 -46.6 3.5 -36.4 55.7 294 79 B Q H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.897 112.4 54.4 -67.4 -36.5 7.2 -37.0 54.9 295 80 B L H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.929 111.0 45.1 -61.8 -46.1 8.2 -35.1 58.0 296 81 B A H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.912 111.8 53.3 -63.6 -41.8 6.0 -37.3 60.2 297 82 B E H X S+ 0 0 94 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.926 112.5 42.6 -61.5 -46.2 7.2 -40.4 58.4 298 83 B V H X>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.6 0.862 111.5 54.6 -72.6 -31.5 11.0 -39.6 59.0 299 84 B T H ><5S+ 0 0 40 -4,-2.1 3,-1.3 -5,-0.3 -2,-0.2 0.947 108.6 48.7 -63.3 -46.9 10.4 -38.5 62.6 300 85 B E H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.865 107.6 57.2 -59.4 -36.8 8.7 -41.9 63.3 301 86 B A H 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.564 126.7 -96.4 -69.8 -16.0 11.7 -43.7 61.6 302 87 B G T <<5 + 0 0 31 -3,-1.3 -3,-0.2 -4,-0.6 -18,-0.2 0.519 63.3 162.1 110.0 7.3 14.3 -42.0 64.0 303 88 B A < - 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