==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-AUG-11 3TE9 . COMPND 2 MOLECULE: TRANSALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR G.MINASOV,S.H.LIGHT,A.HALAVATY,L.SHUVALOVA,L.PAPAZISI,W.F.AN . 623 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.6 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 . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 4 6 2 0 2 0 2 0 2 2 0 0 0 2 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 6 6 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 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 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 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 Q 0 0 210 0, 0.0 259,-0.0 0, 0.0 260,-0.0 0.000 360.0 360.0 360.0 95.5 -12.4 25.0 36.6 2 3 A K - 0 0 116 1,-0.1 254,-0.0 2,-0.1 0, 0.0 -0.269 360.0-108.8 -66.4 149.9 -9.3 24.1 34.6 3 4 A S > - 0 0 21 1,-0.1 4,-2.2 253,-0.0 256,-0.3 -0.240 33.4-105.4 -68.1 167.4 -6.4 26.6 34.4 4 5 A V H > S+ 0 0 0 254,-2.4 4,-2.7 251,-0.9 252,-0.2 0.901 123.2 57.1 -63.3 -34.8 -5.8 28.3 31.1 5 6 A L H > S+ 0 0 2 250,-1.6 4,-2.0 253,-0.4 -1,-0.2 0.933 108.2 44.5 -61.4 -46.9 -2.8 26.0 30.7 6 7 A E H > S+ 0 0 86 249,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.891 113.9 49.7 -67.8 -36.5 -5.0 22.9 31.0 7 8 A Q H >X S+ 0 0 22 -4,-2.2 3,-0.8 1,-0.2 4,-0.5 0.889 108.8 53.8 -66.5 -38.9 -7.7 24.3 28.7 8 9 A L H >X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 3,-1.7 0.915 101.6 58.3 -62.0 -42.0 -5.0 25.2 26.1 9 10 A K H 3< S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 96.0 65.1 -60.6 -22.3 -3.7 21.6 26.1 10 11 A Q H << S+ 0 0 123 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.747 119.3 19.7 -71.9 -22.3 -7.2 20.4 25.1 11 12 A V H << S+ 0 0 57 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.480 125.1 43.4-125.8 -6.8 -6.9 22.3 21.7 12 13 A T S < S- 0 0 5 -4,-1.9 2,-0.8 -5,-0.1 232,-0.2 -0.995 79.2-113.7-144.2 143.1 -3.2 22.8 21.1 13 14 A M E -a 244 0A 43 230,-2.6 232,-1.9 -2,-0.3 2,-0.4 -0.710 38.2-144.1 -77.8 112.0 -0.1 20.8 21.5 14 15 A V E -a 245 0A 1 -2,-0.8 16,-2.9 230,-0.2 17,-0.8 -0.683 19.1-172.2 -83.5 131.3 1.8 22.6 24.3 15 16 A V E -ab 246 31A 0 230,-2.5 232,-3.0 -2,-0.4 2,-0.5 -0.955 19.6-130.2-127.4 137.0 5.5 22.7 23.9 16 17 A A E -ab 247 32A 1 15,-2.1 17,-2.7 -2,-0.4 2,-1.1 -0.799 11.1-151.2 -93.8 127.9 8.1 24.0 26.4 17 18 A D E + b 0 33A 30 230,-2.8 2,-0.3 -2,-0.5 17,-0.2 -0.752 57.4 88.2-100.7 86.6 10.7 26.5 25.1 18 19 A T - 0 0 9 15,-1.5 21,-0.1 -2,-1.1 15,-0.1 -0.983 66.0-138.9-169.0 163.6 13.6 25.9 27.4 19 20 A G S S+ 0 0 2 19,-0.3 2,-1.3 -2,-0.3 3,-0.1 0.388 79.6 100.4-108.0 -2.1 16.8 23.9 28.0 20 21 A D >> - 0 0 21 1,-0.2 3,-1.6 2,-0.1 4,-1.1 -0.670 50.9-176.9 -90.1 88.1 16.0 23.6 31.7 21 22 A F H 3> S+ 0 0 22 -2,-1.3 4,-1.1 1,-0.3 3,-0.2 0.811 76.4 64.1 -59.0 -31.4 14.6 20.1 31.9 22 23 A E H 34 S+ 0 0 103 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.758 103.5 49.3 -65.9 -23.6 13.9 20.3 35.6 23 24 A L H X4 S+ 0 0 44 -3,-1.6 3,-0.5 1,-0.1 4,-0.5 0.794 100.6 65.7 -80.5 -31.4 11.4 23.1 34.8 24 25 A I H >X S+ 0 0 1 -4,-1.1 3,-1.6 1,-0.2 4,-1.3 0.870 87.8 68.1 -58.1 -42.0 9.7 21.1 32.1 25 26 A K T 3< S+ 0 0 107 -4,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.849 95.7 53.3 -47.4 -48.3 8.3 18.3 34.4 26 27 A K T <4 S+ 0 0 106 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.661 110.9 44.5 -69.5 -17.4 5.8 20.6 36.1 27 28 A Y T <4 S- 0 0 9 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.616 91.2-147.2-100.0 -14.2 4.1 21.9 33.0 28 29 A K < - 0 0 143 -4,-1.3 -14,-0.1 -3,-0.5 -3,-0.1 0.930 25.6-178.5 48.3 56.5 3.9 18.5 31.3 29 30 A P - 0 0 7 0, 0.0 63,-0.5 0, 0.0 64,-0.2 -0.384 31.2-131.0 -75.8 167.0 4.3 19.7 27.7 30 31 A V S S+ 0 0 45 -16,-2.9 63,-2.1 61,-0.1 2,-0.2 0.929 86.7 11.1 -80.5 -53.3 4.1 17.2 24.9 31 32 A D E -b 15 0A 9 -17,-0.8 -15,-2.1 62,-0.2 2,-0.3 -0.667 69.3-146.8-115.9 173.1 7.3 18.4 23.1 32 33 A A E -bc 16 95A 0 62,-2.4 64,-1.6 -17,-0.3 2,-0.4 -0.986 3.9-155.2-141.6 152.7 10.2 20.8 24.0 33 34 A T E -bc 17 96A 5 -17,-2.7 -15,-1.5 -2,-0.3 2,-0.4 -0.980 5.5-172.2-130.0 142.6 12.4 23.2 22.0 34 35 A T E - c 0 97A 1 62,-1.2 64,-0.7 -2,-0.4 100,-0.1 -0.914 7.5-171.6-135.4 104.9 15.9 24.5 22.8 35 36 A N > - 0 0 21 -2,-0.4 4,-2.2 62,-0.1 3,-0.5 -0.410 44.2 -94.7 -88.1 172.5 17.3 27.2 20.6 36 37 A P H > S+ 0 0 10 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.799 125.5 54.1 -58.8 -29.1 21.0 28.4 20.8 37 38 A S H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.870 110.1 46.3 -71.6 -37.3 20.1 31.2 23.2 38 39 A L H > S+ 0 0 31 -3,-0.5 4,-2.3 2,-0.2 -19,-0.3 0.841 111.2 51.4 -73.6 -35.2 18.3 28.8 25.6 39 40 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.942 111.4 49.2 -64.4 -46.0 21.2 26.3 25.5 40 41 A L H X S+ 0 0 7 -4,-2.1 4,-3.4 -5,-0.2 5,-0.2 0.942 110.2 50.1 -57.3 -49.0 23.5 29.2 26.3 41 42 A K H X S+ 0 0 102 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.915 110.7 49.4 -55.6 -46.8 21.3 30.3 29.2 42 43 A A H <>S+ 0 0 6 -4,-2.3 5,-0.7 1,-0.2 6,-0.6 0.882 115.3 43.7 -62.1 -41.0 21.2 26.7 30.6 43 44 A V H ><5S+ 0 0 12 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.917 114.3 49.5 -70.9 -44.9 25.0 26.4 30.4 44 45 A K H 3<5S+ 0 0 105 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 105.0 55.9 -61.2 -42.1 25.7 29.9 31.8 45 46 A E T 3<5S- 0 0 117 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.564 99.7-140.9 -70.8 -8.5 23.4 29.6 34.8 46 47 A Q T X 5 + 0 0 140 -3,-1.0 3,-0.9 -4,-0.3 4,-0.2 0.661 58.7 133.9 57.7 28.3 25.4 26.4 35.8 47 48 A K T 3 S+ 0 0 18 -6,-0.6 4,-1.8 1,-0.1 -1,-0.2 -0.217 73.6 134.0-124.2 43.3 24.0 21.4 35.0 49 50 A S H <> S+ 0 0 60 -3,-0.9 4,-3.1 1,-0.2 5,-0.2 0.862 75.0 54.2 -62.5 -37.4 27.8 22.0 35.2 50 51 A N H > S+ 0 0 121 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.941 106.5 51.7 -61.8 -44.9 28.5 18.4 36.0 51 52 A L H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 113.2 45.9 -57.5 -41.4 26.5 17.3 32.9 52 53 A V H X S+ 0 0 14 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.943 113.0 48.0 -66.2 -49.3 28.7 19.8 30.9 53 54 A A H X S+ 0 0 53 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.911 112.9 49.4 -58.2 -43.8 32.0 18.7 32.5 54 55 A E H X S+ 0 0 122 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.874 109.1 52.6 -63.6 -38.6 31.1 15.0 31.9 55 56 A T H X S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.930 109.0 49.6 -64.2 -43.6 30.2 15.8 28.2 56 57 A I H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.936 112.2 47.2 -61.9 -46.1 33.6 17.4 27.7 57 58 A S H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.921 112.3 50.4 -61.5 -44.9 35.5 14.5 29.2 58 59 A K H X S+ 0 0 84 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.898 111.0 47.3 -60.0 -46.5 33.5 11.9 27.2 59 60 A V H X S+ 0 0 4 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.907 111.4 50.6 -66.3 -41.8 34.1 13.7 23.8 60 61 A K H >< S+ 0 0 80 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.934 110.7 50.4 -58.6 -47.5 37.8 14.1 24.4 61 62 A A H 3< S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 114.8 42.5 -58.9 -41.6 38.1 10.4 25.3 62 63 A N H 3< S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.511 116.9 48.2 -86.1 -4.8 36.3 9.3 22.2 63 64 A N X< + 0 0 37 -4,-0.9 3,-1.3 -3,-0.8 -1,-0.2 -0.428 54.1 149.7-136.0 62.6 38.0 11.8 19.8 64 65 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.630 74.1 62.7 -69.2 -12.9 41.8 11.7 20.4 65 66 A D T 3 S+ 0 0 127 -3,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.624 82.0 100.6 -86.6 -13.7 42.3 12.6 16.7 66 67 A L < - 0 0 47 -3,-1.3 -3,-0.1 -6,-0.1 2,-0.0 -0.554 62.6-139.5 -84.5 137.3 40.6 16.0 16.9 67 68 A N > - 0 0 93 -2,-0.3 4,-3.0 1,-0.0 5,-0.2 -0.201 42.1 -84.8 -76.8 175.9 42.5 19.4 17.1 68 69 A S H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 126.5 43.1 -51.0 -55.1 41.2 22.2 19.3 69 70 A D H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 117.7 45.1 -60.9 -49.6 38.7 23.7 16.9 70 71 A D H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 112.1 52.9 -61.7 -40.3 37.3 20.4 15.7 71 72 A L H X S+ 0 0 22 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.923 107.8 50.3 -60.8 -46.7 37.1 19.1 19.3 72 73 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.900 109.8 51.4 -60.0 -39.1 35.1 22.2 20.4 73 74 A K H X S+ 0 0 50 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.890 110.9 47.5 -65.0 -41.1 32.6 21.7 17.6 74 75 A E H X S+ 0 0 28 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.891 111.8 50.3 -67.6 -40.0 32.1 18.1 18.5 75 76 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.906 106.8 55.8 -62.6 -41.9 31.6 19.0 22.2 76 77 A A H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.933 109.9 45.5 -57.8 -46.4 29.1 21.7 21.2 77 78 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.925 111.5 51.8 -62.8 -43.8 27.0 19.1 19.4 78 79 A E H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.864 108.0 52.7 -63.2 -34.9 27.3 16.6 22.3 79 80 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.925 108.0 50.4 -66.5 -42.4 26.1 19.4 24.7 80 81 A L H X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.932 115.0 44.3 -58.0 -47.1 23.0 20.0 22.5 81 82 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.913 109.0 55.9 -65.0 -43.8 22.3 16.3 22.5 82 83 A S H X S+ 0 0 9 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.896 110.6 45.2 -57.9 -43.5 23.0 15.9 26.3 83 84 A F H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.920 112.3 52.0 -65.1 -43.1 20.4 18.5 27.1 84 85 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.896 107.7 52.4 -58.7 -42.2 18.0 16.9 24.6 85 86 A I H X S+ 0 0 32 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.916 108.9 49.0 -61.8 -43.4 18.4 13.5 26.2 86 87 A K H < S+ 0 0 79 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.850 112.1 49.6 -64.8 -37.0 17.6 14.9 29.7 87 88 A I H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-0.5 0.924 104.9 57.2 -66.0 -45.5 14.5 16.6 28.3 88 89 A L H 3< S+ 0 0 7 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.742 97.2 64.6 -59.2 -26.3 13.4 13.4 26.6 89 90 A D T 3< S+ 0 0 116 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.764 110.1 37.1 -65.8 -25.1 13.5 11.7 30.0 90 91 A V S < S+ 0 0 36 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.2 0.300 111.1 61.2-114.4 8.7 10.7 14.0 31.2 91 92 A I - 0 0 16 -3,-0.5 -61,-0.1 -4,-0.5 -60,-0.1 -0.934 62.6-144.0-132.0 159.2 8.4 14.3 28.1 92 93 A E S S+ 0 0 158 -63,-0.5 -61,-0.1 -2,-0.3 -62,-0.1 0.666 83.5 47.5 -90.8 -19.9 6.4 12.0 26.0 93 94 A G S S- 0 0 12 -63,-2.1 2,-0.2 -64,-0.2 -62,-0.2 0.302 94.5 -50.2 -99.1-138.4 7.1 13.8 22.7 94 95 A K - 0 0 38 37,-0.0 -62,-2.4 -7,-0.0 2,-0.4 -0.649 32.2-143.1-107.4 159.1 9.9 15.2 20.8 95 96 A V E -cd 32 131A 0 35,-2.1 37,-2.5 -2,-0.2 2,-0.5 -0.945 14.9-139.7-119.3 140.2 12.8 17.6 21.4 96 97 A S E -cd 33 132A 3 -64,-1.6 -62,-1.2 -2,-0.4 2,-0.4 -0.888 16.4-172.7-101.0 132.1 14.1 20.2 18.9 97 98 A S E -cd 34 133A 0 35,-2.4 37,-2.7 -2,-0.5 2,-0.4 -0.994 18.6-134.1-124.2 130.5 17.9 20.7 18.6 98 99 A E E - d 0 134A 8 -64,-0.7 37,-0.2 -2,-0.4 3,-0.1 -0.666 11.2-126.3 -96.7 136.1 19.2 23.6 16.5 99 100 A V - 0 0 2 35,-2.4 2,-0.2 -2,-0.4 37,-0.1 -0.286 50.5 -75.4 -68.9 158.8 22.0 23.4 14.0 100 101 A D > - 0 0 13 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 -0.403 40.7-138.8 -56.7 121.7 24.9 25.9 14.2 101 102 A A G > S+ 0 0 1 1,-0.3 3,-1.7 -2,-0.2 -1,-0.2 0.733 96.2 75.4 -59.3 -22.6 23.4 29.2 12.9 102 103 A R G 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.675 90.7 54.9 -64.5 -17.4 26.7 29.8 11.1 103 104 A V G X S+ 0 0 24 -3,-2.2 3,-2.3 1,-0.2 -1,-0.3 0.311 72.8 115.2 -96.9 13.0 25.7 27.2 8.4 104 105 A S T < S+ 0 0 5 -3,-1.7 37,-0.4 1,-0.3 34,-0.2 0.664 78.2 44.2 -57.3 -24.2 22.4 28.9 7.6 105 106 A F T 3 S+ 0 0 27 -3,-0.3 2,-0.4 35,-0.1 -1,-0.3 0.120 101.9 75.4-107.7 20.5 23.4 29.8 4.1 106 107 A N <> - 0 0 56 -3,-2.3 4,-1.7 1,-0.1 5,-0.2 -0.892 54.2-172.0-136.4 102.9 24.9 26.4 3.2 107 108 A S H > S+ 0 0 21 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.897 87.0 53.1 -62.4 -40.8 22.5 23.6 2.5 108 109 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 112.4 42.0 -62.6 -46.6 25.3 21.0 2.4 109 110 A T H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.743 112.8 55.4 -73.3 -24.1 26.8 21.8 5.8 110 111 A T H X S+ 0 0 0 -4,-1.7 4,-3.0 -7,-0.2 -1,-0.2 0.916 108.5 48.2 -67.9 -48.2 23.3 22.2 7.2 111 112 A I H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.951 113.7 46.8 -56.0 -51.0 22.6 18.6 6.0 112 113 A D H X S+ 0 0 98 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.899 112.8 48.6 -60.8 -40.9 25.8 17.3 7.5 113 114 A Y H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.935 111.7 49.8 -65.3 -45.8 25.3 19.1 10.8 114 115 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.927 111.6 48.8 -56.5 -48.2 21.7 17.8 11.1 115 116 A K H X S+ 0 0 75 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.847 108.9 53.0 -62.3 -35.7 22.9 14.3 10.4 116 117 A R H X S+ 0 0 101 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 108.8 49.3 -66.3 -44.1 25.7 14.6 13.0 117 118 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.958 112.8 47.9 -57.4 -51.8 23.2 15.6 15.7 118 119 A I H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.903 110.5 51.4 -56.5 -42.8 21.0 12.7 14.7 119 120 A A H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.873 109.0 50.9 -64.8 -36.7 23.9 10.3 14.8 120 121 A R H X S+ 0 0 52 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.899 109.9 49.5 -69.3 -39.6 24.9 11.5 18.3 121 122 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 3,-0.5 0.954 112.9 47.6 -59.7 -47.6 21.4 11.0 19.6 122 123 A E H ><5S+ 0 0 96 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.872 107.3 55.3 -62.8 -37.1 21.4 7.4 18.1 123 124 A S H 3<5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.1 51.2 -64.0 -29.7 24.8 6.7 19.6 124 125 A N T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.251 127.4 -99.9 -90.8 10.4 23.2 7.6 23.0 125 126 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.588 82.0 128.7 84.0 12.7 20.2 5.3 22.5 126 127 A I < - 0 0 23 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.898 53.7-135.1-104.0 119.3 17.7 7.9 21.3 127 128 A P > - 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.453 20.4-117.2 -71.8 147.9 15.9 7.0 18.1 128 129 A K G > S+ 0 0 77 1,-0.3 3,-1.8 2,-0.2 26,-0.3 0.696 106.7 76.9 -59.3 -21.4 15.5 9.8 15.5 129 130 A D G 3 S+ 0 0 91 1,-0.3 -1,-0.3 24,-0.1 23,-0.0 0.721 91.4 55.4 -61.8 -18.1 11.7 9.7 15.8 130 131 A R G < S+ 0 0 62 -3,-2.2 -35,-2.1 -36,-0.1 2,-0.4 0.364 101.8 74.8 -93.8 3.8 12.0 11.6 19.1 131 132 A V E < -d 95 0A 0 -3,-1.8 23,-0.4 -37,-0.2 2,-0.4 -0.928 53.8-165.7-127.1 143.2 14.0 14.5 17.6 132 133 A L E -d 96 0A 1 -37,-2.5 -35,-2.4 -2,-0.4 2,-0.6 -0.984 20.7-139.7-118.0 134.4 13.4 17.5 15.4 133 134 A I E -de 97 155A 0 21,-2.2 23,-2.6 -2,-0.4 2,-0.4 -0.868 19.0-142.0 -94.2 121.2 16.3 19.3 13.8 134 135 A M E +de 98 156A 6 -37,-2.7 -35,-2.4 -2,-0.6 2,-0.4 -0.726 25.0 175.5 -91.3 130.1 15.8 23.0 14.0 135 136 A I E - e 0 157A 3 21,-2.3 23,-2.3 -2,-0.4 2,-0.2 -0.993 35.8-109.2-138.0 133.0 17.0 25.0 10.9 136 137 A A E - e 0 158A 3 -2,-0.4 2,-2.3 21,-0.2 5,-0.2 -0.449 36.4-119.1 -64.3 133.7 16.6 28.7 10.1 137 138 A A + 0 0 0 21,-2.7 2,-0.2 -2,-0.2 -1,-0.1 -0.262 64.4 134.5 -77.4 54.6 14.1 29.1 7.2 138 139 A T S > S- 0 0 4 -2,-2.3 4,-2.5 -34,-0.2 5,-0.2 -0.525 76.3 -99.4 -83.5 170.4 16.4 30.7 4.7 139 140 A W H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 127.4 51.7 -57.7 -42.7 16.1 29.2 1.2 140 141 A E H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 108.9 50.1 -61.6 -39.1 19.3 27.1 1.9 141 142 A G H > S+ 0 0 0 -37,-0.4 4,-2.7 -5,-0.2 -1,-0.2 0.909 110.7 48.9 -66.8 -42.1 17.7 25.8 5.2 142 143 A I H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 110.8 50.2 -64.2 -43.2 14.5 24.8 3.4 143 144 A K H X S+ 0 0 128 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.893 111.9 48.6 -62.3 -40.0 16.5 23.0 0.7 144 145 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.940 111.0 50.4 -63.7 -45.6 18.4 21.2 3.3 145 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.864 103.2 59.9 -62.4 -34.5 15.2 20.3 5.2 146 147 A K H X S+ 0 0 106 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.929 111.6 40.2 -58.1 -46.2 13.7 18.9 1.9 147 148 A L H X S+ 0 0 53 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.919 113.7 52.9 -68.6 -45.0 16.5 16.4 1.7 148 149 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.4 0.922 108.9 50.0 -59.6 -42.9 16.5 15.6 5.4 149 150 A Q H ><5S+ 0 0 32 -4,-3.0 3,-1.9 1,-0.2 -1,-0.2 0.896 106.3 55.5 -62.3 -42.1 12.8 14.9 5.3 150 151 A K H 3<5S+ 0 0 160 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.8 49.3 -59.3 -29.6 13.3 12.6 2.3 151 152 A E T 3<5S- 0 0 95 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.183 126.4-100.6 -95.1 14.8 15.8 10.7 4.5 152 153 A G T < 5S+ 0 0 32 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.628 80.4 130.5 78.4 15.4 13.4 10.4 7.5 153 154 A I < - 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0 0 179 1,-0.0 2,-0.3 260,-0.0 260,-0.0 -0.385 360.0-157.4 -68.6 148.2 41.6 79.0 -11.6 315 3 B K - 0 0 108 257,-0.1 -1,-0.0 -2,-0.1 0, 0.0 -0.889 18.8-102.4-130.6 157.6 38.6 76.6 -11.8 316 4 B S > - 0 0 26 -2,-0.3 4,-2.4 1,-0.1 256,-0.3 -0.222 42.1-104.6 -68.2 166.5 35.4 75.8 -10.0 317 5 B V H > S+ 0 0 0 254,-2.4 4,-2.7 251,-0.7 252,-0.2 0.894 123.2 54.9 -60.7 -38.4 35.3 72.8 -7.7 318 6 B L H > S+ 0 0 2 250,-1.7 4,-1.8 253,-0.3 -1,-0.2 0.945 110.2 44.8 -61.3 -46.3 33.3 70.9 -10.4 319 7 B E H > S+ 0 0 68 249,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.878 113.7 49.8 -66.0 -35.7 35.9 71.6 -13.1 320 8 B Q H >X S+ 0 0 36 -4,-2.4 3,-1.1 1,-0.2 4,-0.6 0.900 107.5 54.9 -67.7 -41.0 38.7 70.6 -10.7 321 9 B L H >X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.3 3,-1.4 0.899 99.9 60.4 -59.5 -40.1 36.9 67.4 -9.8 322 10 B K H 3< S+ 0 0 48 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.741 97.7 60.7 -60.3 -23.0 36.7 66.5 -13.5 323 11 B Q H << S+ 0 0 140 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.747 119.2 23.9 -78.0 -22.6 40.5 66.5 -13.6 324 12 B V H << S+ 0 0 59 -3,-1.4 2,-0.3 -4,-0.6 -2,-0.2 0.542 126.4 37.8-118.2 -10.1 40.9 63.7 -11.0 325 13 B T S < S- 0 0 5 -4,-2.1 2,-0.8 -5,-0.2 232,-0.2 -0.994 81.1-111.2-144.7 143.2 37.5 61.9 -11.2 326 14 B M E -j 557 0C 42 230,-2.4 232,-1.9 -2,-0.3 2,-0.4 -0.697 39.8-144.2 -76.9 112.5 35.1 60.8 -14.0 327 15 B V E -j 558 0C 1 -2,-0.8 16,-2.8 230,-0.2 17,-1.0 -0.664 19.9-174.1 -84.1 130.1 32.1 63.0 -13.2 328 16 B V E -jk 559 344C 0 230,-2.5 232,-2.8 -2,-0.4 2,-0.5 -0.954 20.2-130.5-127.5 139.5 28.8 61.4 -13.9 329 17 B A E -jk 560 345C 1 15,-2.0 17,-2.7 -2,-0.4 2,-1.0 -0.831 10.1-151.2 -94.5 129.9 25.3 63.0 -13.8 330 18 B D E + k 0 346C 33 230,-2.4 2,-0.3 -2,-0.5 17,-0.2 -0.754 58.7 84.5-100.9 87.3 22.7 61.2 -11.8 331 19 B T - 0 0 11 15,-1.5 15,-0.1 -2,-1.0 -2,-0.1 -0.980 68.9-134.0-173.0 160.9 19.4 62.2 -13.6 332 20 B G S S+ 0 0 2 -2,-0.3 2,-1.4 19,-0.3 15,-0.1 0.397 79.0 104.7-101.3 -2.0 17.0 61.5 -16.4 333 21 B D >> + 0 0 19 1,-0.2 4,-1.5 2,-0.1 3,-0.7 -0.622 46.4 180.0 -86.1 88.5 16.9 65.3 -17.2 334 22 B F H 3> S+ 0 0 16 -2,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.773 76.2 61.6 -61.3 -30.0 19.0 65.6 -20.3 335 23 B E H 34 S+ 0 0 97 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.876 106.9 46.5 -65.8 -34.9 18.6 69.4 -20.7 336 24 B L H X4 S+ 0 0 40 -3,-0.7 3,-1.3 1,-0.2 4,-0.4 0.857 99.8 67.6 -72.1 -37.3 20.3 69.8 -17.3 337 25 B I H >X S+ 0 0 2 -4,-1.5 4,-1.7 1,-0.3 3,-1.7 0.889 92.7 63.7 -50.6 -39.0 23.1 67.4 -18.2 338 26 B K T 3< S+ 0 0 95 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.800 96.1 53.9 -59.6 -32.9 24.2 70.0 -20.7 339 27 B K T <4 S+ 0 0 100 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.520 115.9 39.4 -82.5 -0.5 25.0 72.7 -18.2 340 28 B Y T <4 S- 0 0 8 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.600 88.9-147.9-116.7 -18.5 27.3 70.4 -16.2 341 29 B K < - 0 0 148 -4,-1.7 -14,-0.1 1,-0.1 -3,-0.1 0.922 24.9-178.4 50.2 55.7 29.1 68.5 -19.0 342 30 B P - 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0 0 137 -3,-0.6 -3,-0.2 -4,-0.3 2,-0.2 0.830 44.8-177.7 48.5 38.0 20.1 58.8 16.8 507 195 B L < - 0 0 67 -5,-2.1 -1,-0.2 -6,-0.3 -2,-0.1 -0.456 21.5-164.1 -68.8 134.5 22.5 61.4 15.4 508 196 B K S S+ 0 0 208 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.878 73.6 36.3 -85.3 -44.8 21.1 64.9 15.2 509 197 B T S S- 0 0 110 1,-0.1 -2,-0.0 -7,-0.0 0, 0.0 -0.629 99.5 -86.8-106.5 168.6 23.7 66.4 12.8 510 198 B F - 0 0 68 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.465 52.4-107.4 -72.5 139.4 25.6 64.8 10.0 511 199 B P - 0 0 19 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.226 36.8 -93.0 -68.7 160.9 28.7 63.0 11.0 512 200 B A >> - 0 0 56 1,-0.1 3,-1.3 3,-0.1 4,-0.7 -0.370 40.6-109.1 -63.2 150.9 32.2 64.4 10.3 513 201 B I G >4 S+ 0 0 56 1,-0.3 3,-1.3 2,-0.2 7,-0.2 0.895 121.0 55.6 -49.9 -43.9 33.6 63.1 7.1 514 202 B A G 34 S+ 0 0 75 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.787 114.0 40.0 -61.8 -28.3 36.1 60.9 9.0 515 203 B D G <4 S+ 0 0 102 -3,-1.3 2,-0.7 4,-0.0 -1,-0.3 0.364 85.7 119.0 -99.8 -0.7 33.2 59.3 10.9 516 204 B D S+ 0 0 73 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.824 90.2 51.6 -58.3 -35.4 30.1 55.3 7.3 518 206 B G H > S+ 0 0 0 2,-0.2 4,-1.8 -24,-0.2 -1,-0.2 0.933 111.9 44.4 -67.8 -49.0 29.1 56.0 3.6 519 207 B V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.951 114.4 50.7 -61.2 -45.7 32.2 57.9 2.7 520 208 B N H X S+ 0 0 60 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.833 104.6 58.4 -62.5 -31.7 34.3 55.3 4.6 521 209 B S H X S+ 0 0 20 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.942 109.0 43.7 -63.3 -46.3 32.6 52.5 2.7 522 210 B V H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.918 112.9 52.5 -66.0 -41.2 33.7 53.9 -0.7 523 211 B K H X S+ 0 0 59 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.896 110.6 48.2 -60.6 -40.2 37.2 54.6 0.6 524 212 B A H X S+ 0 0 35 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 113.3 46.4 -67.3 -42.3 37.4 50.9 1.8 525 213 B I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.924 112.4 50.6 -65.3 -45.3 36.2 49.6 -1.6 526 214 B Y H X S+ 0 0 28 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.929 112.7 46.5 -58.1 -45.5 38.6 51.9 -3.4 527 215 B K H X S+ 0 0 163 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.920 112.4 50.4 -63.9 -45.7 41.5 50.7 -1.3 528 216 B L H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 6,-0.2 0.938 112.2 48.0 -55.2 -51.4 40.5 47.0 -1.7 529 217 B Y H X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.8 0.927 113.2 45.1 -58.9 -48.7 40.3 47.4 -5.5 530 218 B K H ><5S+ 0 0 90 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.900 113.6 50.0 -66.3 -38.9 43.7 49.2 -5.9 531 219 B S H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 116.0 42.5 -66.4 -36.4 45.5 46.8 -3.6 532 220 B H H 3<5S- 0 0 93 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.497 110.1-122.2 -87.2 -4.7 44.0 43.8 -5.5 533 221 B G T <<5 + 0 0 50 -4,-0.8 2,-0.2 -3,-0.5 -3,-0.2 0.764 50.3 166.6 69.6 23.4 44.6 45.4 -8.9 534 222 B F < - 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