==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, TRANSFERASE 29-SEP-09 3K28 . COMPND 2 MOLECULE: GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. 'AMES . AUTHOR S.S.SHARMA,J.S.BRUNZELLE,Z.WAWRZAK,T.SKARINA,A.SAVCHENKO, . 1687 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1185 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 10 0.6 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 . 91 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 222 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 549 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.7 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 12 0 4 0 0 0 4 4 8 12 0 0 8 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 8 4 4 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 . 12 0 4 8 8 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 4 4 0 0 4 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 X 0 0 143 0, 0.0 2,-0.1 0, 0.0 1499,-0.1 0.000 360.0 360.0 360.0 114.6 13.8 16.4 14.6 2 2 A R - 0 0 62 383,-0.1 2,-0.4 1,-0.0 383,-0.1 -0.404 360.0-145.4 -69.6 138.4 16.8 14.9 12.7 3 3 A K + 0 0 66 48,-0.2 50,-0.2 -2,-0.1 48,-0.1 -0.869 20.2 179.4-106.8 138.9 16.1 11.6 10.8 4 4 A F > + 0 0 33 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 0.113 41.3 123.9-122.9 19.1 18.8 8.9 10.5 5 5 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 75.9 46.5 -47.5 -53.7 16.8 6.3 8.5 6 6 A K H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 113.5 49.1 -61.5 -40.3 19.2 6.0 5.5 7 7 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.882 109.3 52.8 -65.3 -39.6 22.3 5.7 7.9 8 8 A I H X S+ 0 0 25 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.937 111.7 45.6 -60.2 -48.1 20.5 3.0 9.9 9 9 A A H X S+ 0 0 60 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.905 112.2 50.8 -64.1 -41.4 19.8 1.0 6.7 10 10 A A H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.859 109.0 52.0 -65.5 -33.6 23.4 1.5 5.4 11 11 A F H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.825 102.5 58.1 -73.0 -29.2 24.8 0.3 8.7 12 12 A E H < S+ 0 0 68 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.929 111.5 43.5 -61.6 -43.1 22.6 -2.9 8.6 13 13 A E H >< S+ 0 0 99 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.915 111.8 53.5 -64.2 -49.4 24.4 -3.7 5.3 14 14 A A H >X S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.3 4,-1.8 0.871 98.9 63.3 -56.1 -41.6 27.8 -2.7 6.7 15 15 A Q T 3< S+ 0 0 58 -4,-2.4 -1,-0.3 1,-0.3 6,-0.2 0.668 101.2 51.4 -61.3 -17.7 27.4 -5.1 9.7 16 16 A D T <4 S+ 0 0 104 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.285 116.4 40.8 -97.7 6.2 27.4 -8.1 7.3 17 17 A L T <4 S+ 0 0 16 -3,-2.4 520,-2.8 1,-0.3 -2,-0.2 0.677 113.6 29.5-122.3 -35.5 30.6 -7.0 5.5 18 18 A X S >< S- 0 0 5 -4,-1.8 3,-2.3 518,-0.2 -1,-0.3 -0.889 93.4 -80.4-130.8 157.9 33.2 -5.7 8.0 19 19 A P G > S- 0 0 4 0, 0.0 3,-1.6 0, 0.0 5,-0.1 -0.471 120.4 -6.6 -65.0 122.1 34.1 -6.3 11.7 20 20 A G G 3 S- 0 0 24 1,-0.3 -5,-0.2 -2,-0.2 -4,-0.1 0.613 122.5 -77.7 65.1 16.4 31.6 -4.3 13.7 21 21 A G G < S+ 0 0 1 -3,-2.3 2,-0.3 -7,-0.3 -1,-0.3 0.608 108.2 92.3 69.9 17.9 30.4 -2.9 10.4 22 22 A V S < S- 0 0 3 -3,-1.6 -1,-0.2 -7,-0.1 701,-0.1 -0.943 71.4-136.9-141.1 163.9 33.4 -0.4 10.1 23 23 A N S S+ 0 0 0 -2,-0.3 699,-0.1 1,-0.2 696,-0.1 0.360 100.7 27.2 -96.5 -1.8 37.0 0.0 8.7 24 24 A S S > S- 0 0 10 694,-0.1 3,-1.8 -5,-0.1 -1,-0.2 -0.893 84.6-121.8-160.0 135.3 38.2 1.7 12.0 25 25 A P G > S+ 0 0 16 0, 0.0 3,-1.8 0, 0.0 5,-0.3 0.798 105.0 58.4 -57.7 -40.5 36.8 1.1 15.5 26 26 A V G > S+ 0 0 43 1,-0.3 3,-1.6 2,-0.1 5,-0.1 0.759 91.2 73.4 -62.2 -22.2 35.8 4.6 16.4 27 27 A R G < S+ 0 0 9 -3,-1.8 -1,-0.3 1,-0.3 10,-0.1 0.532 80.8 72.2 -68.9 -9.2 33.4 4.8 13.4 28 28 A A G < S- 0 0 6 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.1 0.507 96.1-137.1 -83.3 -6.2 30.9 2.5 15.0 29 29 A F X>> + 0 0 3 -3,-1.6 5,-1.4 -4,-0.1 3,-0.8 0.737 54.6 144.1 59.4 27.9 29.9 5.3 17.5 30 30 A K G >45 + 0 0 104 -5,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.861 60.2 62.9 -67.3 -33.3 29.9 2.8 20.4 31 31 A S G 345S+ 0 0 81 361,-0.4 -1,-0.2 1,-0.2 346,-0.1 0.753 114.3 34.3 -61.4 -26.5 31.2 5.3 23.0 32 32 A V G <45S- 0 0 7 -3,-0.8 -1,-0.2 360,-0.2 -2,-0.2 0.421 103.8-128.9-108.6 -2.9 28.1 7.5 22.5 33 33 A G T <<5 + 0 0 14 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.853 62.8 130.6 55.9 43.7 25.6 4.6 21.9 34 34 A X < - 0 0 20 -5,-1.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.842 69.3 -93.4-121.3 161.1 24.2 6.1 18.7 35 35 A N - 0 0 20 -2,-0.3 -27,-0.1 -3,-0.1 -6,-0.1 -0.556 56.5-104.4 -69.5 131.2 23.5 4.9 15.2 36 36 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -25,-0.1 -0.297 30.2-122.8 -59.8 139.8 26.6 5.7 13.1 37 37 A L - 0 0 2 -10,-0.1 2,-0.5 -3,-0.1 -8,-0.0 -0.757 18.0-146.8 -84.5 125.7 26.3 8.7 10.8 38 38 A F - 0 0 1 -2,-0.5 12,-2.1 477,-0.1 2,-0.3 -0.857 16.5-143.5 -93.5 125.7 27.0 7.8 7.1 39 39 A X E +A 49 0A 3 477,-2.2 479,-0.4 -2,-0.5 10,-0.3 -0.728 23.3 177.6 -97.6 139.2 28.6 10.7 5.3 40 40 A E E - 0 0 85 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.773 63.8 -17.4-101.8 -48.2 27.9 11.6 1.7 41 41 A R E -A 48 0A 90 7,-1.2 7,-2.8 472,-0.0 -1,-0.4 -0.977 51.3-152.5-157.4 167.3 29.9 14.8 1.0 42 42 A G E -A 47 0A 2 467,-2.2 2,-0.3 -2,-0.3 5,-0.2 -0.986 5.3-173.9-144.1 155.3 31.7 17.7 2.6 43 43 A K E > -A 46 0A 90 3,-2.6 3,-2.1 -2,-0.3 27,-0.2 -0.886 64.3 -45.5-153.3 116.3 32.5 21.3 1.7 44 44 A G B 3 S-D 69 0B 20 25,-2.4 25,-2.4 -2,-0.3 360,-0.1 -0.367 126.2 -14.3 64.1-129.9 34.8 23.5 3.9 45 45 A S T 3 S+ 0 0 5 358,-0.5 12,-3.3 23,-0.2 2,-0.4 0.363 121.1 94.8 -84.0 7.4 33.8 23.1 7.5 46 46 A K E < -AB 43 56A 41 -3,-2.1 -3,-2.6 10,-0.2 2,-0.3 -0.826 50.1-175.5-108.2 137.4 30.4 21.5 6.5 47 47 A V E -AB 42 55A 0 8,-2.4 8,-2.3 -2,-0.4 2,-0.4 -0.952 10.2-152.3-128.8 145.1 29.7 17.7 6.3 48 48 A Y E -AB 41 54A 40 -7,-2.8 -8,-2.8 -2,-0.3 -7,-1.2 -0.975 5.3-145.3-123.2 130.5 26.5 16.1 5.1 49 49 A D E > -A 39 0A 1 4,-2.2 3,-1.6 -2,-0.4 -10,-0.3 -0.373 35.9-100.1 -85.4 175.5 25.1 12.7 6.0 50 50 A I T 3 S+ 0 0 12 -12,-2.1 -11,-0.1 1,-0.3 -1,-0.1 0.627 122.1 61.6 -70.5 -13.6 23.2 10.4 3.6 51 51 A D T 3 S- 0 0 37 -13,-0.3 -1,-0.3 -48,-0.1 -48,-0.2 0.306 121.9-107.0 -88.7 3.8 19.8 11.6 5.1 52 52 A G < + 0 0 56 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.500 69.1 149.7 82.1 7.7 20.7 15.1 3.9 53 53 A N - 0 0 27 -50,-0.2 -4,-2.2 1,-0.0 2,-0.4 -0.496 37.6-140.3 -74.0 143.2 21.5 16.5 7.4 54 54 A E E -B 48 0A 86 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.830 21.2-176.8-106.8 138.6 24.1 19.3 7.6 55 55 A Y E -B 47 0A 0 -8,-2.3 -8,-2.4 -2,-0.4 2,-0.6 -0.992 32.8-122.6-136.3 147.5 26.8 19.5 10.3 56 56 A I E -Bc 46 388A 16 331,-2.5 333,-3.2 -2,-0.3 2,-0.6 -0.778 44.2-131.4 -81.5 124.9 29.6 21.8 11.4 57 57 A D E + c 0 389A 0 -12,-3.3 333,-0.2 -2,-0.6 331,-0.0 -0.730 45.1 157.3 -92.7 116.0 32.5 19.4 11.3 58 58 A Y S S+ 0 0 0 331,-2.7 341,-2.8 -2,-0.6 -1,-0.1 0.132 75.3 66.1-112.3 13.8 35.0 19.3 14.2 59 59 A V >> - 0 0 0 330,-0.4 3,-1.6 331,-0.2 4,-1.2 0.823 68.2-176.2 -96.3 -47.4 36.1 15.7 13.3 60 60 A L G >4>S- 0 0 0 1,-0.3 5,-1.8 2,-0.2 3,-1.0 0.915 81.9 -52.5 48.6 48.1 37.8 16.7 10.0 61 61 A S G 345S- 0 0 0 452,-0.8 -1,-0.3 1,-0.2 453,-0.2 0.682 104.9 -58.5 59.4 25.5 38.5 12.9 9.3 62 62 A W G <45S- 0 0 18 -3,-1.6 -1,-0.2 451,-0.2 -2,-0.2 0.755 115.5 -31.8 74.7 32.0 40.2 12.8 12.9 63 63 A G T <<5S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 -0.151 112.9 95.7 125.5 -40.2 42.8 15.5 12.0 64 64 A P T 5 + 0 0 1 0, 0.0 2,-2.0 0, 0.0 204,-0.2 0.788 67.9 77.0 -55.5 -34.9 43.8 15.4 8.3 65 65 A L > < + 0 0 9 -5,-1.8 3,-2.1 1,-0.2 -4,-0.1 -0.378 47.4 155.6 -84.0 65.3 41.4 18.0 7.0 66 66 A I T 3 S+ 0 0 1 -2,-2.0 336,-2.8 1,-0.3 337,-0.2 0.693 83.5 36.8 -62.5 -24.6 43.2 21.2 8.1 67 67 A H T 3 S- 0 0 9 1,-0.4 -1,-0.3 334,-0.3 -23,-0.2 0.028 117.4-120.0-112.1 20.2 41.5 23.2 5.3 68 68 A G < - 0 0 6 -3,-2.1 3,-0.5 332,-0.1 -1,-0.4 -0.175 56.9 -18.9 70.8-162.8 38.2 21.3 5.6 69 69 A H B S-D 44 0B 3 -25,-2.4 -25,-2.4 1,-0.2 -23,-0.1 -0.547 121.2 -5.2 -84.2 140.7 36.6 19.2 2.9 70 70 A A S S- 0 0 12 -2,-0.2 -1,-0.2 -27,-0.2 2,-0.2 0.896 73.6-160.2 48.9 50.6 37.3 19.5 -0.9 71 71 A N > - 0 0 31 -3,-0.5 4,-2.9 1,-0.1 3,-0.2 -0.496 19.4-129.0 -59.5 126.5 39.7 22.5 -0.6 72 72 A D H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 104.7 47.4 -47.4 -50.8 39.8 24.0 -4.2 73 73 A R H > S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 115.1 45.8 -60.1 -43.1 43.6 24.0 -4.6 74 74 A V H > S+ 0 0 10 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.938 113.2 50.4 -67.0 -46.2 44.0 20.5 -3.3 75 75 A V H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.908 110.6 48.4 -58.2 -49.1 41.1 19.2 -5.5 76 76 A E H X S+ 0 0 113 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 111.8 49.5 -62.3 -38.8 42.5 20.8 -8.7 77 77 A A H X S+ 0 0 19 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.883 111.2 49.5 -67.0 -39.3 46.0 19.3 -8.0 78 78 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.915 112.1 48.2 -63.5 -46.6 44.5 15.8 -7.4 79 79 A K H X S+ 0 0 34 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.905 111.9 49.6 -61.5 -43.6 42.5 16.1 -10.7 80 80 A A H X S+ 0 0 51 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.908 115.1 43.3 -63.3 -43.4 45.7 17.2 -12.6 81 81 A V H >X S+ 0 0 22 -4,-2.3 3,-1.4 1,-0.2 4,-1.1 0.909 108.4 58.3 -65.6 -48.2 47.8 14.3 -11.2 82 82 A A H >< S+ 0 0 3 -4,-2.7 3,-0.8 1,-0.3 4,-0.2 0.893 103.2 53.6 -51.6 -42.5 45.0 11.7 -11.7 83 83 A E H 3< S+ 0 0 103 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.713 114.7 42.1 -63.9 -23.2 45.0 12.5 -15.5 84 84 A R H << S- 0 0 102 -3,-1.4 383,-2.1 -4,-0.6 -1,-0.2 0.471 130.7 -73.2-103.5 -6.5 48.8 11.9 -15.7 85 85 A G << - 0 0 3 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.1 0.147 29.8-136.1 113.9 127.5 49.1 8.8 -13.5 86 86 A T S S+ 0 0 12 1,-0.2 216,-1.3 -4,-0.2 217,-0.3 0.592 85.5 17.3 -86.9 -17.6 48.7 8.4 -9.7 87 87 A S + 0 0 1 213,-0.2 -1,-0.2 214,-0.1 213,-0.1 -0.959 49.4 174.8-158.5 138.3 51.7 6.0 -9.0 88 88 A F - 0 0 6 -2,-0.3 398,-0.9 2,-0.3 399,-0.2 0.663 36.8-131.5-120.8 -26.5 54.8 5.0 -11.0 89 89 A G S S+ 0 0 4 1,-0.3 208,-0.0 397,-0.2 211,-0.0 0.672 85.2 80.2 75.8 17.4 57.0 2.8 -8.8 90 90 A A S S- 0 0 2 374,-0.1 -1,-0.3 371,-0.1 -2,-0.3 -0.939 96.7 -71.3-144.3 160.7 60.0 4.9 -9.8 91 91 A P - 0 0 5 0, 0.0 373,-2.5 0, 0.0 2,-0.3 -0.107 46.0-165.4 -58.3 152.8 61.1 8.4 -8.5 92 92 A T >> - 0 0 6 371,-0.2 4,-0.7 207,-0.1 3,-0.6 -0.976 29.0-125.3-134.4 153.4 59.1 11.5 -9.3 93 93 A E H 3> S+ 0 0 94 -2,-0.3 4,-1.8 371,-0.3 3,-0.3 0.782 107.3 66.1 -67.8 -27.9 60.0 15.2 -8.9 94 94 A I H 3> S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 94.8 58.7 -64.9 -30.6 56.9 15.9 -6.8 95 95 A E H <> S+ 0 0 6 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.886 105.8 49.5 -63.1 -39.6 58.4 13.7 -4.0 96 96 A N H X S+ 0 0 4 -4,-0.7 4,-2.6 -3,-0.3 -1,-0.2 0.911 108.6 53.3 -63.9 -45.7 61.4 16.1 -4.0 97 97 A K H X S+ 0 0 95 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.911 114.0 39.9 -59.6 -46.3 59.1 19.1 -3.7 98 98 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.895 113.3 54.2 -70.3 -41.4 57.2 17.7 -0.7 99 99 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.947 108.7 50.0 -57.7 -45.7 60.3 16.3 1.0 100 100 A K H X S+ 0 0 64 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.893 112.1 47.7 -55.7 -46.6 62.0 19.8 0.7 101 101 A L H X S+ 0 0 12 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.916 112.1 48.8 -63.7 -44.5 58.9 21.5 2.3 102 102 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 7,-0.2 0.905 110.1 51.5 -62.0 -43.8 58.7 19.0 5.2 103 103 A I H < S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.1 44.3 -60.2 -42.5 62.4 19.4 5.9 104 104 A E H < S+ 0 0 138 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.854 117.6 45.0 -70.1 -38.6 62.0 23.3 6.1 105 105 A R H < S+ 0 0 6 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.811 106.6 60.2 -77.8 -34.6 58.8 23.1 8.1 106 106 A V S >< S- 0 0 0 -4,-2.6 3,-1.1 -5,-0.2 -1,-0.1 -0.884 72.2-150.9-104.7 114.7 59.8 20.5 10.8 107 107 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 149,-0.1 0.873 92.2 44.0 -50.0 -54.0 62.8 21.5 12.9 108 108 A S T 3 S+ 0 0 7 168,-0.1 2,-0.7 170,-0.0 -5,-0.1 0.640 92.6 98.3 -67.0 -20.1 64.3 18.0 13.7 109 109 A I < + 0 0 3 -3,-1.1 169,-0.2 -7,-0.2 -3,-0.1 -0.655 26.5 146.7 -82.4 116.9 63.9 16.7 10.1 110 110 A E S S+ 0 0 102 167,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.688 79.4 23.9-108.2 -36.4 67.0 16.9 7.9 111 111 A I E S-E 277 0C 24 166,-1.6 166,-1.8 -8,-0.1 -1,-0.4 -0.985 77.7-165.2-130.9 139.6 66.2 13.7 5.9 112 112 A V E -E 276 0C 0 330,-3.0 2,-0.4 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27.1 8.3 403 407 A V T 3 S+ 0 0 58 -337,-0.2 -358,-0.5 2,-0.1 2,-0.3 0.355 71.1 115.8-100.3 6.1 37.8 27.3 7.0 404 408 A H < - 0 0 4 -3,-1.4 2,-0.2 -360,-0.1 -79,-0.0 -0.593 57.0-147.8 -68.1 132.3 35.9 27.4 10.2 405 409 A S > - 0 0 49 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.575 24.3-111.7 -98.9 169.5 34.1 30.7 10.3 406 410 A D H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 122.3 56.6 -64.5 -31.2 33.2 33.0 13.3 407 411 A A H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 105.4 50.5 -64.9 -39.0 29.5 32.1 12.4 408 412 A D H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 111.4 48.7 -60.7 -46.3 30.4 28.3 12.8 409 413 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.934 112.4 47.9 -60.8 -46.8 32.0 29.1 16.3 410 414 A E H X S+ 0 0 129 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.900 112.4 48.1 -63.2 -42.3 29.0 31.1 17.4 411 415 A A H X S+ 0 0 46 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.847 111.5 52.2 -66.5 -34.3 26.6 28.4 16.3 412 416 A T H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.916 111.0 45.3 -66.6 -47.9 28.7 25.7 18.1 413 417 A I H X S+ 0 0 33 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.884 112.4 52.0 -61.3 -41.2 28.7 27.7 21.3 414 418 A A H X S+ 0 0 50 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.875 111.7 47.1 -64.7 -37.4 24.9 28.2 21.0 415 419 A A H X S+ 0 0 3 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.890 109.9 53.3 -66.9 -43.9 24.4 24.4 20.5 416 420 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.877 104.9 55.0 -62.7 -36.6 26.7 23.6 23.5 417 421 A E H X S+ 0 0 49 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.930 112.7 42.1 -61.9 -46.9 24.6 25.9 25.7 418 422 A I H X S+ 0 0 69 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.934 115.1 50.5 -63.1 -48.9 21.4 23.9 24.7 419 423 A A H >< S+ 0 0 1 -4,-3.2 3,-0.9 1,-0.2 4,-0.2 0.900 111.7 47.3 -60.1 -39.6 23.3 20.6 25.1 420 424 A X H >< S+ 0 0 1 -4,-3.0 3,-1.1 1,-0.2 4,-0.4 0.808 103.5 63.6 -67.9 -32.7 24.6 21.5 28.6 421 425 A S H 3< S+ 0 0 53 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.598 103.0 48.7 -66.1 -17.5 21.1 22.6 29.7 422 426 A K T << S+ 0 0 103 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.385 87.7 85.2-104.8 -0.9 19.8 19.1 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