==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-MAR-12 4E0C . COMPND 2 MOLECULE: TRANSALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR S.H.LIGHT,G.MINASOV,A.S.HALAVATY,L.SHUVALOVA,L.PAPAZISI,W.F. . 623 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26309.0 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 . 70 11.2 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 . 36 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 2 2 0 2 6 1 2 3 0 1 0 2 2 0 0 0 2 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 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 1 A M 0 0 203 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.0 16.5 -35.8 14.7 2 2 A Q - 0 0 174 1,-0.0 2,-0.3 260,-0.0 259,-0.1 -0.437 360.0-168.3 -69.2 137.8 14.3 -35.5 11.6 3 3 A K - 0 0 121 -2,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.862 24.6 -96.8-127.1 160.4 11.3 -33.2 12.0 4 4 A S > - 0 0 25 -2,-0.3 4,-2.5 1,-0.1 256,-0.2 -0.162 42.4-104.8 -69.2 165.9 8.1 -32.4 10.1 5 5 A V H > S+ 0 0 0 254,-2.2 4,-2.8 251,-0.6 252,-0.2 0.887 123.1 55.3 -56.6 -38.2 8.0 -29.4 7.8 6 6 A L H > S+ 0 0 4 250,-1.6 4,-1.9 253,-0.3 -1,-0.2 0.929 110.2 44.0 -62.6 -44.6 5.9 -27.6 10.5 7 7 A E H > S+ 0 0 77 249,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.891 114.9 50.1 -71.4 -31.7 8.6 -28.2 13.2 8 8 A Q H >X S+ 0 0 36 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.914 107.2 54.2 -69.8 -41.8 11.3 -27.2 10.8 9 9 A L H >X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 3,-1.6 0.902 100.1 60.8 -58.5 -40.7 9.5 -24.1 9.9 10 10 A K H 3< S+ 0 0 47 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.726 98.6 60.0 -56.3 -32.5 9.3 -23.1 13.6 11 11 A Q H << S+ 0 0 161 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.692 118.4 25.1 -68.3 -22.8 13.1 -23.0 13.8 12 12 A V H << S+ 0 0 60 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.539 126.7 35.0-121.0 -8.6 13.5 -20.3 11.1 13 13 A T S < S- 0 0 6 -4,-2.0 2,-0.8 -5,-0.1 -1,-0.2 -0.988 81.9-108.9-146.1 148.1 10.2 -18.4 11.3 14 14 A M E -a 245 0A 43 230,-2.3 232,-1.9 -2,-0.3 2,-0.4 -0.715 40.4-145.2 -79.0 115.6 7.8 -17.4 14.0 15 15 A V E -a 246 0A 1 -2,-0.8 16,-2.7 230,-0.2 17,-0.9 -0.669 19.5-173.6 -90.4 129.8 4.8 -19.7 13.2 16 16 A V E -ab 247 32A 1 230,-2.2 232,-2.9 -2,-0.4 2,-0.5 -0.953 19.2-131.8-126.9 138.2 1.4 -18.1 13.9 17 17 A A E -ab 248 33A 1 15,-1.8 17,-2.8 -2,-0.4 2,-1.0 -0.864 9.4-150.8 -98.3 133.9 -2.0 -19.7 13.8 18 18 A D E + b 0 34A 18 230,-2.4 2,-0.3 -2,-0.5 17,-0.2 -0.761 56.8 91.7-104.6 86.4 -4.7 -17.8 11.9 19 19 A T - 0 0 14 15,-1.3 -2,-0.1 -2,-1.0 15,-0.1 -0.972 66.7-138.2-167.4 154.2 -7.9 -18.9 13.7 20 20 A G S S+ 0 0 3 -2,-0.3 2,-1.1 19,-0.2 15,-0.1 0.395 79.4 102.4 -94.4 6.0 -10.4 -18.0 16.4 21 21 A D > - 0 0 27 1,-0.2 4,-1.6 2,-0.1 3,-0.4 -0.711 50.5-173.2 -94.8 99.6 -10.6 -21.8 17.4 22 22 A F H > S+ 0 0 41 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.756 80.1 61.0 -64.7 -28.1 -8.4 -22.1 20.5 23 23 A E H > S+ 0 0 119 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.920 107.4 44.9 -65.1 -37.2 -8.7 -26.0 20.6 24 24 A L H >4 S+ 0 0 50 -3,-0.4 3,-0.5 1,-0.2 4,-0.4 0.869 108.4 57.4 -71.7 -36.6 -7.1 -26.3 17.2 25 25 A I H >X S+ 0 0 2 -4,-1.6 3,-2.0 1,-0.2 4,-1.4 0.933 97.0 64.7 -58.8 -44.0 -4.4 -23.8 18.1 26 26 A K H 3< S+ 0 0 102 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.833 100.3 49.6 -51.6 -37.8 -3.4 -26.0 21.0 27 27 A K T << S+ 0 0 102 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.474 110.4 45.9 -88.4 -4.4 -2.3 -28.8 18.8 28 28 A Y T <4 S- 0 0 8 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.529 92.7-145.2-101.9 -14.6 -0.0 -27.0 16.4 29 29 A K < - 0 0 153 -4,-1.4 -3,-0.1 -3,-0.3 -14,-0.1 0.919 25.4-177.2 51.0 55.8 1.7 -25.0 19.2 30 30 A P - 0 0 7 0, 0.0 63,-0.5 0, 0.0 64,-0.3 -0.390 31.6-127.9 -71.3 166.2 2.2 -21.7 17.3 31 31 A V S S+ 0 0 67 -16,-2.7 63,-2.0 61,-0.1 2,-0.2 0.944 89.1 7.2 -77.1 -53.5 4.0 -18.9 19.1 32 32 A D E S-b 16 0A 8 -17,-0.9 -15,-1.8 62,-0.2 2,-0.3 -0.676 70.2-147.7-117.5 177.9 1.3 -16.2 18.4 33 33 A A E -bc 17 96A 0 62,-2.1 64,-1.5 -17,-0.3 2,-0.4 -0.975 5.6-146.3-142.9 154.4 -2.2 -16.4 16.9 34 34 A T E -bc 18 97A 2 -17,-2.8 -15,-1.3 -2,-0.3 2,-0.3 -0.964 12.5-176.6-126.4 143.9 -4.3 -13.9 14.8 35 35 A T + 0 0 2 62,-1.4 -15,-0.1 -2,-0.4 100,-0.1 -0.837 2.4 179.9-124.3 166.1 -8.1 -13.4 14.8 36 36 A N > - 0 0 13 -2,-0.3 4,-2.2 62,-0.1 5,-0.2 -0.919 47.1 -90.6-157.5 175.0 -10.1 -11.0 12.6 37 37 A P H > S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.778 123.8 54.2 -69.8 -23.4 -13.8 -10.3 12.4 38 38 A S H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.941 111.2 44.1 -72.9 -45.5 -14.4 -13.0 9.8 39 39 A L H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -19,-0.2 0.889 113.0 51.8 -66.8 -32.5 -12.8 -15.7 12.0 40 40 A I H X S+ 0 0 6 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.945 109.0 50.8 -69.5 -43.9 -14.7 -14.4 15.1 41 41 A L H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.936 110.3 49.8 -59.6 -44.5 -18.0 -14.6 13.3 42 42 A K H X S+ 0 0 127 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.931 113.2 46.1 -61.9 -45.6 -17.4 -18.1 12.2 43 43 A A H >< S+ 0 0 7 -4,-2.4 3,-1.3 1,-0.2 6,-0.4 0.907 109.2 54.8 -59.5 -44.9 -16.4 -19.2 15.7 44 44 A V H 3< S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.4 52.2 -59.8 -37.4 -19.4 -17.4 17.2 45 45 A K H 3< S+ 0 0 115 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.591 86.6 105.8 -75.5 -12.1 -21.8 -19.4 14.9 46 46 A E S X< S- 0 0 90 -3,-1.3 3,-1.6 -4,-0.6 4,-0.1 -0.364 83.7-113.6 -72.9 143.1 -20.3 -22.8 15.9 47 47 A Q G > S+ 0 0 156 1,-0.2 3,-1.8 2,-0.2 4,-0.1 0.814 111.0 64.4 -48.1 -38.0 -22.5 -25.0 18.2 48 48 A K G 3 S+ 0 0 123 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.812 105.5 46.8 -52.1 -37.0 -20.0 -24.8 21.2 49 49 A Y G X> S+ 0 0 38 -3,-1.6 3,-1.4 -6,-0.4 4,-0.6 0.150 70.7 122.7 -98.1 20.6 -20.7 -21.1 21.4 50 50 A S T <4 S+ 0 0 71 -3,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.701 84.9 35.0 -56.9 -19.8 -24.5 -21.1 21.2 51 51 A N T 3> S+ 0 0 100 -3,-0.3 4,-2.6 -4,-0.1 -1,-0.2 0.412 90.4 97.0-112.6 -0.8 -24.9 -19.3 24.6 52 52 A L H <> S+ 0 0 28 -3,-1.4 4,-2.3 2,-0.2 5,-0.2 0.883 84.5 47.1 -55.9 -47.2 -21.8 -17.0 24.4 53 53 A V H X S+ 0 0 11 -4,-0.6 4,-3.1 2,-0.2 5,-0.2 0.963 112.5 48.3 -63.0 -53.4 -23.7 -14.0 23.1 54 54 A A H > S+ 0 0 50 -4,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.910 114.1 48.2 -54.0 -43.8 -26.5 -14.2 25.8 55 55 A E H X S+ 0 0 116 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.914 112.2 47.6 -61.8 -45.2 -23.8 -14.6 28.5 56 56 A T H X S+ 0 0 8 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.908 111.5 51.0 -64.3 -41.9 -21.8 -11.7 27.3 57 57 A I H X S+ 0 0 8 -4,-3.1 4,-3.8 2,-0.2 5,-0.3 0.985 111.0 50.2 -57.2 -54.2 -25.0 -9.6 27.0 58 58 A S H X S+ 0 0 78 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.902 115.3 40.7 -44.6 -60.1 -25.8 -10.6 30.6 59 59 A K H X S+ 0 0 95 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.891 117.7 47.6 -60.6 -45.1 -22.5 -9.6 32.0 60 60 A V H X S+ 0 0 1 -4,-3.0 4,-0.6 -5,-0.2 -2,-0.2 0.902 111.5 49.7 -67.9 -44.5 -22.1 -6.5 29.9 61 61 A K H >< S+ 0 0 84 -4,-3.8 3,-1.7 -5,-0.3 -2,-0.2 0.963 110.4 52.2 -53.2 -56.0 -25.7 -5.2 30.7 62 62 A A H 3< S+ 0 0 69 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.937 112.1 44.5 -45.9 -56.0 -25.0 -5.8 34.4 63 63 A N H 3< S+ 0 0 112 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.444 127.7 27.7 -72.8 -3.2 -21.7 -3.7 34.3 64 64 A N X< + 0 0 50 -3,-1.7 3,-1.5 -4,-0.6 -1,-0.3 -0.290 64.9 157.4-152.6 56.9 -23.2 -0.8 32.2 65 65 A P T 3 S+ 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.695 72.4 60.1 -62.8 -15.9 -26.9 -0.6 32.9 66 66 A D T 3 S+ 0 0 162 -5,-0.1 2,-0.2 -3,-0.0 -5,-0.1 0.467 77.7 107.8 -93.2 -3.1 -27.0 3.0 31.8 67 67 A L < - 0 0 63 -3,-1.5 -3,-0.1 -6,-0.2 0, 0.0 -0.457 69.1-117.8 -77.0 144.8 -25.9 2.8 28.2 68 68 A N > - 0 0 94 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.259 39.9 -93.7 -74.0 167.6 -28.2 3.3 25.2 69 69 A S H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.908 125.5 48.9 -48.4 -49.7 -28.8 0.3 22.9 70 70 A D H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.950 112.8 47.7 -55.2 -51.9 -26.1 1.4 20.4 71 71 A D H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 112.6 49.7 -58.0 -42.9 -23.5 1.9 23.2 72 72 A L H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.950 107.1 51.7 -59.8 -56.1 -24.3 -1.4 24.7 73 73 A V H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.866 109.5 53.4 -49.8 -40.1 -24.1 -3.5 21.4 74 74 A K H X S+ 0 0 59 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.3 0.896 108.5 47.6 -62.4 -46.6 -20.7 -1.9 20.9 75 75 A E H X S+ 0 0 17 -4,-1.8 4,-2.3 -3,-0.2 -2,-0.2 0.881 111.2 51.3 -65.7 -35.7 -19.5 -3.0 24.4 76 76 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.896 107.4 53.8 -67.5 -39.2 -20.8 -6.5 23.8 77 77 A A H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.920 110.8 44.8 -62.6 -44.4 -18.9 -6.7 20.5 78 78 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.911 111.1 54.9 -62.4 -43.9 -15.6 -5.8 22.1 79 79 A E H X S+ 0 0 12 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.907 109.4 47.3 -58.2 -39.3 -16.3 -8.2 24.9 80 80 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.966 112.2 48.0 -66.3 -47.0 -16.8 -11.0 22.4 81 81 A L H X S+ 0 0 20 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.922 115.7 45.6 -58.7 -44.3 -13.6 -10.3 20.4 82 82 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.877 106.0 59.6 -69.8 -39.5 -11.6 -10.1 23.6 83 83 A S H X S+ 0 0 33 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.911 107.6 45.6 -55.8 -40.5 -13.2 -13.3 25.0 84 84 A F H X S+ 0 0 6 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.912 112.1 52.6 -69.6 -39.8 -11.9 -15.3 22.0 85 85 A G H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.919 108.9 49.9 -60.1 -42.6 -8.5 -13.6 22.4 86 86 A I H X S+ 0 0 27 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.918 108.4 51.6 -64.3 -43.4 -8.3 -14.5 26.0 87 87 A K H < S+ 0 0 115 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.829 111.9 47.9 -63.4 -32.2 -9.1 -18.1 25.4 88 88 A I H >X S+ 0 0 0 -4,-1.6 3,-2.0 1,-0.2 4,-0.6 0.906 107.5 54.7 -70.3 -45.1 -6.3 -18.3 22.8 89 89 A L H >< S+ 0 0 4 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.808 98.8 64.1 -61.1 -30.7 -3.8 -16.6 25.1 90 90 A D T 3< S+ 0 0 104 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.720 109.9 39.2 -61.9 -21.7 -4.6 -19.3 27.7 91 91 A V T <4 S+ 0 0 42 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.2 0.381 111.1 57.1-113.4 2.7 -3.1 -21.9 25.2 92 92 A I << - 0 0 9 -3,-0.6 -61,-0.1 -4,-0.6 -60,-0.1 -0.923 66.1-137.7-129.6 162.8 -0.1 -20.1 23.7 93 93 A E S S+ 0 0 179 -63,-0.5 -61,-0.1 -2,-0.3 -62,-0.1 0.795 84.4 49.3 -85.3 -26.4 3.0 -18.5 25.0 94 94 A G S S- 0 0 13 -63,-2.0 -62,-0.2 -64,-0.3 2,-0.2 0.405 92.8 -52.8 -93.8-142.0 2.9 -15.5 22.7 95 95 A K - 0 0 34 37,-0.0 -62,-2.1 35,-0.0 2,-0.4 -0.591 31.3-143.3-106.9 160.5 0.6 -12.8 21.5 96 96 A V E -cd 33 132A 0 35,-2.2 37,-2.6 -64,-0.2 2,-0.5 -0.951 14.9-137.5-122.6 144.7 -2.9 -12.6 20.0 97 97 A S E -cd 34 133A 2 -64,-1.5 -62,-1.4 -2,-0.4 2,-0.4 -0.902 20.0-174.6-101.2 131.5 -4.0 -10.1 17.4 98 98 A S E - d 0 134A 0 35,-2.3 37,-2.7 -2,-0.5 2,-0.4 -0.989 19.8-131.5-128.0 131.5 -7.5 -8.6 17.9 99 99 A E E - d 0 135A 9 -2,-0.4 37,-0.2 35,-0.2 3,-0.1 -0.671 9.7-125.2 -94.8 138.3 -8.9 -6.3 15.2 100 100 A V - 0 0 3 35,-2.4 2,-0.2 -2,-0.4 37,-0.1 -0.290 53.6 -75.5 -67.4 158.6 -10.5 -2.9 15.6 101 101 A D > - 0 0 23 1,-0.2 3,-2.3 2,-0.1 -1,-0.2 -0.394 42.1-137.5 -58.1 121.6 -14.0 -2.4 14.1 102 102 A A G > S+ 0 0 1 1,-0.3 3,-1.7 -2,-0.2 -1,-0.2 0.719 96.7 76.0 -56.8 -23.6 -13.3 -2.2 10.4 103 103 A R G 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.619 91.0 54.2 -64.2 -14.6 -15.9 0.7 10.2 104 104 A V G X S+ 0 0 26 -3,-2.3 3,-2.4 1,-0.2 7,-0.3 0.276 73.1 115.7 -99.4 15.6 -13.3 3.1 11.8 105 105 A S T < S+ 0 0 4 -3,-1.7 37,-0.4 1,-0.3 34,-0.2 0.676 78.0 42.9 -64.7 -18.4 -10.7 2.3 9.2 106 106 A F T 3 S+ 0 0 25 -3,-0.3 2,-0.5 35,-0.1 -1,-0.3 0.122 102.1 77.6-108.6 19.1 -10.6 5.9 7.7 107 107 A N <> - 0 0 54 -3,-2.4 4,-2.0 1,-0.2 5,-0.2 -0.902 55.2-172.8-133.0 103.1 -10.7 7.6 11.1 108 108 A S H > S+ 0 0 19 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.923 86.4 50.2 -61.9 -42.9 -7.4 7.7 13.0 109 109 A A H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 113.9 43.1 -65.9 -42.2 -8.8 9.2 16.2 110 110 A T H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.818 112.3 55.5 -74.6 -24.5 -11.7 6.6 16.5 111 111 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 -7,-0.3 -2,-0.2 0.919 109.0 47.5 -65.9 -48.6 -9.2 3.8 15.6 112 112 A I H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.936 112.3 49.4 -56.6 -45.2 -7.0 5.0 18.5 113 113 A D H X S+ 0 0 78 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 112.8 46.5 -63.9 -44.2 -10.0 5.1 20.8 114 114 A Y H X S+ 0 0 11 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.899 110.8 52.8 -63.4 -42.9 -11.1 1.6 19.8 115 115 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.929 110.6 47.1 -59.0 -46.9 -7.6 0.2 20.1 116 116 A K H X S+ 0 0 84 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.839 108.8 55.2 -62.9 -35.3 -7.3 1.6 23.7 117 117 A R H X S+ 0 0 91 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.905 108.8 48.2 -64.1 -42.5 -10.8 0.1 24.5 118 118 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.950 112.2 48.4 -58.2 -49.9 -9.6 -3.3 23.4 119 119 A I H X S+ 0 0 22 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.925 111.1 51.6 -58.1 -43.3 -6.4 -3.0 25.5 120 120 A A H X S+ 0 0 50 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.890 107.2 52.2 -61.7 -40.3 -8.5 -1.9 28.5 121 121 A R H X S+ 0 0 37 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.903 111.8 45.9 -66.7 -42.7 -10.8 -4.9 28.2 122 122 A Y H ><>S+ 0 0 1 -4,-2.3 5,-2.3 1,-0.2 3,-1.4 0.936 111.3 52.7 -61.2 -42.9 -7.8 -7.2 28.2 123 123 A E H ><5S+ 0 0 127 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.886 101.8 60.0 -61.5 -38.9 -6.3 -5.3 31.1 124 124 A S H 3<5S+ 0 0 88 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.681 106.3 49.2 -58.5 -20.5 -9.6 -5.7 33.1 125 125 A N T <<5S- 0 0 75 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.358 126.2-100.8-102.4 6.3 -9.0 -9.4 32.8 126 126 A G T < 5S+ 0 0 65 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.517 81.1 131.9 88.2 5.1 -5.4 -9.4 34.0 127 127 A I < - 0 0 20 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.828 50.1-140.8 -94.3 121.6 -3.9 -9.6 30.4 128 128 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.452 22.9-109.5 -82.9 160.0 -1.1 -7.0 29.9 129 129 A K G > S+ 0 0 94 1,-0.3 3,-1.9 2,-0.2 26,-0.3 0.719 109.9 75.1 -63.0 -21.3 -0.8 -5.1 26.7 130 130 A D G 3 S+ 0 0 93 1,-0.3 -1,-0.3 24,-0.1 24,-0.0 0.533 94.0 54.3 -68.1 -7.3 2.5 -7.0 25.8 131 131 A R G < S+ 0 0 55 -3,-2.0 -35,-2.2 -36,-0.1 2,-0.4 0.326 101.5 71.0 -98.8 1.2 0.4 -10.1 25.0 132 132 A V E < -d 96 0A 1 -3,-1.9 2,-0.5 -37,-0.2 23,-0.4 -0.966 55.7-163.6-125.5 139.0 -1.9 -8.3 22.4 133 133 A L E -d 97 0A 2 -37,-2.6 -35,-2.3 -2,-0.4 2,-0.6 -0.973 22.4-138.8-111.4 128.5 -1.4 -6.9 18.9 134 134 A I E -de 98 156A 0 21,-2.3 23,-2.5 -2,-0.5 2,-0.5 -0.844 18.1-139.0 -89.5 123.6 -4.1 -4.5 17.8 135 135 A K E +de 99 157A 7 -37,-2.7 -35,-2.4 -2,-0.6 2,-0.4 -0.719 26.3 176.6 -87.0 125.7 -5.0 -5.2 14.2 136 136 A I E - e 0 158A 2 21,-2.3 23,-2.4 -2,-0.5 2,-0.1 -0.999 35.4-112.6-131.3 132.6 -5.6 -2.1 12.0 137 137 A A E - e 0 159A 2 -2,-0.4 2,-2.1 21,-0.2 5,-0.2 -0.430 36.0-119.0 -62.5 135.0 -6.3 -2.0 8.3 138 138 A A + 0 0 0 21,-2.5 2,-0.1 4,-0.1 -1,-0.1 -0.249 64.8 136.1 -81.7 54.1 -3.3 -0.4 6.6 139 139 A T S > S- 0 0 5 -2,-2.1 4,-2.4 -34,-0.2 5,-0.2 -0.421 75.7 -98.6 -79.3 171.2 -5.1 2.6 5.1 140 140 A W H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.922 128.2 50.1 -59.3 -40.7 -3.2 5.9 5.6 141 141 A E H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 107.9 53.1 -69.4 -32.6 -5.4 6.7 8.6 142 142 A G H > S+ 0 0 0 -37,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.894 109.8 48.9 -64.8 -42.9 -4.7 3.2 10.1 143 143 A I H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 110.9 50.1 -66.9 -41.1 -0.9 3.8 9.8 144 144 A K H X S+ 0 0 93 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.911 112.0 47.4 -60.6 -42.8 -1.3 7.3 11.5 145 145 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.926 113.3 48.9 -64.5 -46.5 -3.3 5.7 14.4 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.881 104.8 58.6 -60.2 -40.6 -0.7 3.0 14.7 147 147 A K H X S+ 0 0 102 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.936 112.5 40.3 -56.0 -42.2 2.1 5.5 14.7 148 148 A L H X S+ 0 0 82 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.894 113.3 53.0 -74.4 -40.6 0.5 7.1 17.8 149 149 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-0.9 0.926 106.8 53.2 -61.7 -41.8 -0.5 3.9 19.5 150 150 A Q H ><5S+ 0 0 34 -4,-3.1 3,-2.0 1,-0.3 -1,-0.2 0.851 100.6 61.3 -61.5 -32.9 3.1 2.6 19.2 151 151 A K H 3<5S+ 0 0 147 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.831 105.5 48.0 -62.0 -31.9 4.3 5.8 20.9 152 152 A E T <<5S- 0 0 109 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.156 126.0-101.9 -89.3 15.2 2.2 4.7 24.0 153 153 A G T < 5S+ 0 0 32 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.697 78.7 136.3 72.4 21.2 3.7 1.2 23.9 154 154 A I < - 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0 0 36 -3,-1.5 4,-2.7 -4,-0.4 5,-0.2 -0.874 60.6-175.5-107.9 98.9 -18.4 1.4 -3.6 598 293 B A H > S+ 0 0 25 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.903 85.7 50.2 -62.5 -40.6 -16.2 -1.1 -5.3 599 294 B M H > S+ 0 0 19 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.948 113.0 45.7 -63.5 -43.6 -16.9 0.3 -8.8 600 295 B A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.908 110.8 53.1 -68.8 -40.9 -16.2 3.9 -7.7 601 296 B T H X S+ 0 0 23 -4,-2.7 4,-1.3 -7,-0.4 -1,-0.2 0.930 116.3 38.9 -57.1 -46.1 -13.0 2.9 -5.9 602 297 B H H X S+ 0 0 21 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.933 117.2 48.1 -69.9 -49.9 -11.7 1.2 -8.9 603 298 B K H X S+ 0 0 12 -4,-3.4 4,-2.7 -5,-0.2 5,-0.2 0.870 108.9 51.5 -68.6 -35.8 -12.9 3.7 -11.6 604 299 B L H X S+ 0 0 18 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.963 115.2 43.9 -62.1 -45.9 -11.7 6.9 -9.8 605 300 B A H X S+ 0 0 2 -4,-1.3 4,-2.2 -5,-0.4 -2,-0.2 0.932 114.8 48.2 -64.8 -47.4 -8.2 5.3 -9.5 606 301 B E H X S+ 0 0 40 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.886 108.4 55.0 -58.4 -43.9 -8.2 4.0 -13.0 607 302 B G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.905 109.1 47.8 -57.9 -45.3 -9.4 7.4 -14.4 608 303 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.903 112.4 49.7 -63.6 -44.4 -6.4 9.2 -12.8 609 304 B R H X S+ 0 0 40 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.941 112.8 46.1 -62.3 -41.7 -4.0 6.5 -14.1 610 305 B L H X S+ 0 0 79 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.882 113.2 47.5 -69.7 -39.0 -5.3 6.8 -17.7 611 306 B F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.862 110.7 55.4 -68.9 -34.2 -5.3 10.6 -17.7 612 307 B T H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.941 105.2 50.9 -61.0 -45.8 -1.8 10.4 -16.3 613 308 B K H X S+ 0 0 97 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.918 112.1 47.5 -58.5 -44.3 -0.6 8.1 -19.2 614 309 B D H X S+ 0 0 37 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.796 110.2 51.0 -66.8 -32.8 -2.0 10.6 -21.7 615 310 B T H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.896 111.2 49.3 -71.3 -38.4 -0.5 13.6 -20.0 616 311 B I H X S+ 0 0 54 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 110.0 51.0 -66.7 -40.8 2.9 11.8 -20.0 617 312 B E H X S+ 0 0 66 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.942 109.3 50.7 -63.6 -43.1 2.5 11.0 -23.7 618 313 B L H X S+ 0 0 17 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.919 108.7 52.5 -59.6 -40.8 1.7 14.7 -24.5 619 314 B E H X S+ 0 0 9 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.885 106.8 52.7 -61.1 -40.1 4.9 15.7 -22.5 620 315 B N H X S+ 0 0 70 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.919 108.5 49.5 -61.8 -39.9 6.9 13.3 -24.7 621 316 B I H X S+ 0 0 30 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.924 111.6 49.7 -65.2 -40.9 5.5 15.0 -27.9 622 317 B I H >< S+ 0 0 3 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.960 109.2 52.0 -61.8 -46.9 6.4 18.4 -26.5 623 318 B K H >< S+ 0 0 90 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.860 106.9 53.6 -56.9 -36.5 9.9 17.1 -25.7 624 319 B Q H 3< S+ 0 0 144 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.648 110.4 47.2 -71.7 -18.3 10.3 15.9 -29.2 625 320 B N T << 0 0 92 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.157 360.0 360.0-109.7 10.3 9.4 19.3 -30.6 626 321 B L < 0 0 85 -3,-1.0 -254,-0.1 -4,-0.3 -3,-0.0 -0.143 360.0 360.0 -71.9 360.0 11.6 21.5 -28.4