==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-DEC-01 1KO0 . COMPND 2 MOLECULE: DIAMINOPIMELATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.LEVDIKOV,L.BLAGOVA,N.BOSE,C.MOMANY . 421 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 31 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 0 0 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 7 1 1 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 . 2 0 0 3 2 1 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 1 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 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 P 0 0 50 0, 0.0 2,-0.2 0, 0.0 274,-0.0 0.000 360.0 360.0 360.0-179.5 31.5 53.7 53.9 2 3 A H - 0 0 38 273,-0.2 2,-0.4 1,-0.0 370,-0.0 -0.523 360.0-115.5 -91.2 152.3 30.9 56.9 51.9 3 4 A S > - 0 0 46 -2,-0.2 4,-1.9 1,-0.1 8,-0.1 -0.772 13.0-139.6 -84.7 139.1 32.8 60.1 52.2 4 5 A L T 4 S+ 0 0 2 -2,-0.4 9,-2.7 1,-0.2 10,-0.3 0.525 105.3 39.0 -75.0 -6.2 30.8 63.1 53.5 5 6 A F T 4 S+ 0 0 83 7,-0.2 -1,-0.2 8,-0.1 7,-0.1 0.665 112.5 52.6-111.2 -31.8 32.6 65.3 51.0 6 7 A S T 4 S+ 0 0 82 2,-0.0 -2,-0.2 6,-0.0 6,-0.1 0.844 85.3 146.5 -68.0 -38.1 32.7 63.0 48.0 7 8 A T < + 0 0 26 -4,-1.9 5,-0.1 4,-0.2 -3,-0.1 0.419 29.5 166.2 -5.7 110.5 29.0 62.5 48.5 8 9 A D S S+ 0 0 137 3,-0.1 -1,-0.1 4,-0.0 4,-0.1 0.715 72.5 71.4 -91.6 -30.4 26.8 62.0 45.4 9 10 A T S S- 0 0 18 2,-0.1 3,-0.0 1,-0.1 22,-0.0 -0.063 103.1-101.0 -73.0-178.1 24.1 61.0 47.9 10 11 A D S S+ 0 0 25 1,-0.2 2,-1.7 386,-0.1 5,-0.1 0.532 99.5 95.2 -83.9 -4.1 22.2 63.2 50.3 11 12 A L + 0 0 0 4,-0.1 2,-0.2 385,-0.1 -1,-0.2 -0.352 58.8 144.2 -85.5 53.8 24.4 62.2 53.2 12 13 A T > - 0 0 27 -2,-1.7 4,-2.5 1,-0.1 5,-0.2 -0.549 64.6-107.5 -90.0 171.0 26.9 65.1 52.9 13 14 A A H > S+ 0 0 22 -9,-2.7 4,-2.0 1,-0.2 5,-0.1 0.883 119.2 45.4 -62.9 -43.9 28.7 67.1 55.5 14 15 A E H > S+ 0 0 140 -10,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.888 113.1 48.5 -69.3 -44.6 26.5 70.1 55.0 15 16 A N H > S+ 0 0 30 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.906 114.4 46.6 -61.6 -42.4 23.2 68.2 55.0 16 17 A L H < S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.893 106.0 57.2 -71.2 -36.7 24.1 66.3 58.2 17 18 A L H X S+ 0 0 34 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.898 109.3 46.7 -61.1 -40.9 25.3 69.3 60.2 18 19 A R H X S+ 0 0 96 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.734 96.3 74.9 -73.6 -23.6 22.0 71.1 59.8 19 20 A L H >X S+ 0 0 0 -4,-0.9 4,-3.3 -3,-0.5 3,-0.7 0.918 89.8 53.4 -61.3 -48.8 19.8 68.1 60.6 20 21 A P H 3> S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.908 106.4 54.6 -54.9 -39.0 20.3 68.0 64.4 21 22 A A H 3< S+ 0 0 93 -4,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.848 117.9 35.4 -64.3 -34.6 19.3 71.7 64.7 22 23 A E H << S+ 0 0 127 -4,-1.2 -1,-0.2 -3,-0.7 -3,-0.1 0.881 132.9 22.2 -85.2 -46.2 16.0 71.0 62.9 23 24 A F H < S- 0 0 42 -4,-3.3 -2,-0.2 1,-0.3 384,-0.2 0.463 107.9-108.2-104.6 -9.6 15.0 67.5 64.1 24 25 A G < - 0 0 28 -4,-2.2 -1,-0.3 -5,-0.5 -2,-0.1 -0.313 45.7 -51.1 103.7 174.6 16.9 67.2 67.4 25 26 A C S S+ 0 0 30 -2,-0.1 2,-0.1 -4,-0.1 256,-0.1 -0.994 105.1 28.3-151.7 140.2 19.9 65.0 68.5 26 27 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 255,-0.2 0.628 83.2 165.3 -76.3 173.5 20.9 62.4 68.4 27 28 A V E -A 280 0A 0 253,-1.8 253,-2.5 -2,-0.1 2,-0.4 -0.988 36.8-125.3-158.7 139.7 19.0 61.3 65.3 28 29 A W E -Ab 279 393A 0 364,-2.2 366,-2.6 -2,-0.3 2,-0.4 -0.724 28.7-166.7 -86.3 133.7 18.9 58.5 62.7 29 30 A V E -Ab 278 394A 0 249,-2.7 249,-2.8 -2,-0.4 2,-0.3 -0.973 5.0-174.0-126.7 134.1 19.2 59.6 59.0 30 31 A Y E -Ab 277 395A 2 364,-2.5 366,-3.4 -2,-0.4 2,-0.6 -0.951 19.0-142.4-126.3 150.3 18.5 57.6 55.9 31 32 A D E >> - b 0 396A 2 245,-1.9 4,-1.3 -2,-0.3 3,-1.3 -0.933 7.7-159.7-115.0 106.5 18.9 58.2 52.2 32 33 A A H 3> S+ 0 0 0 364,-2.8 4,-2.3 -2,-0.6 5,-0.1 0.796 89.5 60.0 -52.7 -36.5 16.1 56.7 50.1 33 34 A Q H 3> S+ 0 0 106 363,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.801 100.5 55.7 -70.4 -22.7 18.1 56.7 46.9 34 35 A I H <> S+ 0 0 7 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.929 107.3 49.2 -75.5 -35.8 20.7 54.5 48.5 35 36 A I H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.965 109.9 51.3 -64.5 -46.2 18.0 51.9 49.3 36 37 A R H X S+ 0 0 42 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.886 108.4 52.5 -57.5 -42.3 16.7 52.1 45.7 37 38 A R H X S+ 0 0 102 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.928 109.8 47.6 -59.1 -45.7 20.2 51.5 44.4 38 39 A Q H < S+ 0 0 14 -4,-2.2 4,-0.4 234,-0.3 -2,-0.2 0.885 111.0 52.0 -62.9 -39.5 20.6 48.4 46.6 39 40 A I H >< S+ 0 0 16 -4,-2.6 3,-1.8 233,-0.2 -2,-0.2 0.946 105.6 55.2 -61.5 -39.8 17.2 47.1 45.5 40 41 A A H >< S+ 0 0 58 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.869 96.7 65.1 -66.3 -32.5 18.2 47.5 41.8 41 42 A A T 3< S+ 0 0 34 -4,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.614 102.5 48.6 -64.5 -16.4 21.3 45.4 42.3 42 43 A L T X S+ 0 0 0 -3,-1.8 3,-1.5 -4,-0.4 -1,-0.3 0.057 72.0 120.5-110.8 22.8 19.0 42.4 43.0 43 44 A K T < + 0 0 166 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.679 63.0 68.9 -63.2 -18.4 16.7 42.8 40.0 44 45 A Q T 3 S+ 0 0 65 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.727 82.1 87.9 -67.8 -35.0 17.6 39.4 38.6 45 46 A F S < S- 0 0 11 -3,-1.5 3,-0.1 1,-0.1 220,-0.1 -0.499 79.3-134.2 -66.1 148.0 15.8 37.6 41.5 46 47 A D S S+ 0 0 88 218,-0.8 2,-0.4 1,-0.2 219,-0.2 0.864 92.1 21.3 -64.8 -42.5 12.1 36.9 41.0 47 48 A V E -f 265 0B 14 217,-1.8 219,-2.1 2,-0.0 2,-0.6 -0.996 59.1-164.9-131.7 129.9 11.3 38.2 44.5 48 49 A V E -f 266 0B 16 -2,-0.4 22,-2.7 20,-0.3 2,-0.7 -0.980 17.2-169.8-108.1 112.1 13.3 40.4 46.8 49 50 A R E -g 70 0B 1 217,-2.9 22,-0.3 -2,-0.6 2,-0.2 -0.937 16.7-136.9-109.0 104.6 11.7 39.9 50.3 50 51 A F E -g 71 0B 0 20,-2.7 22,-3.0 -2,-0.7 2,-1.3 -0.459 5.9-136.8 -67.5 127.5 13.0 42.5 52.8 51 52 A A E > -g 72 0B 9 217,-2.2 3,-2.0 -2,-0.2 4,-0.3 -0.733 21.8-164.7 -79.5 90.5 13.8 41.2 56.2 52 53 A Q G > S+ 0 0 0 -2,-1.3 3,-2.0 20,-1.2 -1,-0.2 0.774 74.6 81.2 -64.4 -11.9 12.2 44.2 58.0 53 54 A K G 3 S+ 0 0 55 19,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.774 85.2 63.8 -65.0 -14.9 13.9 43.4 61.3 54 55 A A G < S- 0 0 0 -3,-2.0 323,-2.4 1,-0.3 324,-0.6 0.797 131.2 -9.6 -75.8 -26.0 16.9 45.2 59.8 55 56 A C < + 0 0 3 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.1 -0.640 69.7 177.7-176.7 94.4 15.0 48.6 59.6 56 57 A S + 0 0 17 -3,-0.3 5,-0.1 -2,-0.2 -3,-0.1 0.382 25.3 138.1 -96.0 -4.6 11.3 48.5 60.2 57 58 A N >> - 0 0 10 1,-0.2 4,-2.2 -5,-0.1 3,-0.8 -0.267 56.3-130.7 -45.8 133.4 10.1 52.1 60.0 58 59 A I H 3> S+ 0 0 43 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.762 105.3 56.8 -61.9 -28.5 6.8 51.9 58.1 59 60 A H H 3> S+ 0 0 51 345,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.833 107.9 47.9 -71.4 -32.0 7.8 54.7 55.7 60 61 A I H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.912 110.9 51.2 -76.6 -31.4 10.9 52.7 54.7 61 62 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.881 107.4 53.9 -66.9 -37.2 8.6 49.7 54.3 62 63 A R H X S+ 0 0 90 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.878 107.0 51.3 -62.4 -41.0 6.4 51.8 52.1 63 64 A L H X S+ 0 0 4 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.917 108.7 51.2 -62.2 -41.2 9.4 52.7 49.9 64 65 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.6 0.960 111.4 47.2 -58.6 -52.4 10.2 48.9 49.6 65 66 A R H ><5S+ 0 0 103 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.919 106.5 57.7 -57.8 -44.8 6.7 48.2 48.5 66 67 A E H 3<5S+ 0 0 129 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.837 107.1 50.2 -50.0 -39.0 6.8 51.1 46.0 67 68 A Q T <<5S- 0 0 82 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.238 124.6-102.5 -86.7 7.2 9.8 49.4 44.5 68 69 A G T < 5S+ 0 0 57 -3,-2.3 -20,-0.3 1,-0.3 2,-0.3 0.499 74.6 143.0 83.3 12.3 8.1 46.0 44.2 69 70 A V < - 0 0 4 -5,-2.3 -1,-0.3 -6,-0.2 -20,-0.2 -0.577 37.9-149.5 -86.4 135.7 9.9 44.5 47.2 70 71 A K E -g 49 0B 53 -22,-2.7 -20,-2.7 -2,-0.3 2,-0.4 -0.277 17.3-119.8 -93.0-171.4 7.9 42.1 49.4 71 72 A V E -gh 50 96B 0 24,-2.2 26,-1.6 -22,-0.3 2,-0.5 -0.960 8.3-147.3-144.3 141.7 8.4 41.7 53.2 72 73 A D E -gh 51 97B 7 -22,-3.0 -20,-1.2 -2,-0.4 2,-0.4 -0.967 17.8-161.9-103.7 126.5 9.3 39.1 55.8 73 74 A S E - h 0 98B 0 24,-2.7 26,-3.2 -2,-0.5 3,-0.1 -0.824 14.3-178.6-104.9 135.3 7.8 39.4 59.2 74 75 A V + 0 0 53 -2,-0.4 2,-0.3 24,-0.2 -1,-0.1 0.392 69.3 24.4-112.8 5.8 9.2 37.6 62.2 75 76 A S S > S- 0 0 51 1,-0.1 4,-1.7 25,-0.1 5,-0.1 -0.963 84.2-100.2-156.7 170.2 6.7 38.8 64.9 76 77 A L H > S+ 0 0 49 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.917 121.5 56.5 -63.6 -38.7 3.1 40.0 65.3 77 78 A G H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 105.8 49.9 -60.1 -40.0 4.5 43.6 65.6 78 79 A E H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.841 106.7 55.5 -70.9 -32.0 6.2 43.2 62.2 79 80 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.962 108.9 47.3 -59.9 -47.0 2.9 41.9 60.6 80 81 A E H X S+ 0 0 72 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.870 110.5 52.8 -65.1 -34.5 1.1 45.1 61.8 81 82 A R H X S+ 0 0 88 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.915 108.1 50.3 -65.2 -43.7 4.0 47.2 60.5 82 83 A A H <>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 3,-0.4 0.935 111.1 49.1 -61.9 -42.5 3.7 45.5 57.0 83 84 A L H ><5S+ 0 0 43 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.937 108.4 53.2 -64.6 -37.3 -0.1 46.2 57.0 84 85 A A H 3<5S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 104.4 56.7 -68.9 -24.3 0.5 49.8 58.0 85 86 A A T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.365 127.0-100.0 -86.3 2.3 2.9 50.2 55.0 86 87 A G T < 5S+ 0 0 35 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.395 72.5 145.0 96.9 1.5 0.1 49.1 52.7 87 88 A Y < - 0 0 5 -5,-2.0 -1,-0.3 8,-0.1 -2,-0.1 -0.487 31.7-162.1 -66.2 151.9 1.0 45.4 52.2 88 89 A N > - 0 0 52 4,-0.2 4,-2.6 -2,-0.1 7,-0.2 -0.868 24.6-170.4-148.6 106.1 -2.3 43.4 51.8 89 90 A P T 4 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.659 86.5 64.8 -68.6 -21.8 -2.7 39.7 52.2 90 91 A Q T 4 S+ 0 0 162 2,-0.2 -2,-0.0 1,-0.1 24,-0.0 0.990 117.8 23.6 -68.0 -45.7 -6.3 39.8 51.0 91 92 A T T 4 S+ 0 0 76 1,-0.3 -1,-0.1 -3,-0.1 0, 0.0 0.842 137.2 30.6 -88.5 -37.3 -5.4 40.9 47.4 92 93 A H >< - 0 0 108 -4,-2.6 3,-2.0 1,-0.1 4,-0.4 -0.727 66.7-173.3-126.9 94.8 -1.8 39.7 47.4 93 94 A P T 3 S+ 0 0 60 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.638 82.0 46.1 -66.4 -22.5 -1.3 36.6 49.5 94 95 A D T 3 S+ 0 0 39 1,-0.2 -23,-0.2 -6,-0.1 3,-0.1 0.337 81.9 93.9-105.0 10.3 2.5 36.3 49.2 95 96 A D S < S+ 0 0 26 -3,-2.0 -24,-2.2 1,-0.2 2,-0.4 0.844 93.0 38.5 -72.7 -24.4 3.4 39.9 49.9 96 97 A I E -h 71 0B 1 -4,-0.4 2,-0.4 -3,-0.2 -1,-0.2 -0.984 66.8-176.4-123.8 128.0 3.8 39.1 53.6 97 98 A V E -h 72 0B 3 -26,-1.6 -24,-2.7 -2,-0.4 2,-0.6 -0.973 19.7-142.0-114.2 134.2 5.4 35.9 54.9 98 99 A F E -hi 73 118B 4 19,-2.6 21,-3.4 -2,-0.4 2,-0.4 -0.890 26.5-175.2 -95.5 116.5 5.5 35.2 58.7 99 100 A T E + i 0 119B 6 -26,-3.2 2,-0.3 -2,-0.6 21,-0.2 -0.960 20.3 112.0-122.0 127.4 8.9 33.6 59.5 100 101 A A E - i 0 120B 22 19,-1.9 21,-1.8 -2,-0.4 22,-0.2 -0.979 62.9-115.2-174.1 172.4 10.1 32.2 62.8 101 102 A D S S+ 0 0 10 -2,-0.3 2,-0.3 20,-0.2 24,-0.3 0.533 101.7 37.7 -95.3 -10.7 11.0 29.1 64.9 102 103 A V - 0 0 106 23,-0.1 2,-0.4 22,-0.1 -1,-0.1 -0.954 63.7-161.6-136.9 154.5 8.1 29.7 67.3 103 104 A I - 0 0 12 -2,-0.3 2,-0.2 -3,-0.1 25,-0.0 -0.996 9.7-154.3-139.6 135.3 4.5 31.0 67.0 104 105 A D > - 0 0 91 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.530 33.9 -98.0-102.1 171.3 2.3 32.3 69.9 105 106 A Q H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 119.6 49.1 -54.6 -51.2 -1.5 32.4 70.2 106 107 A A H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 113.3 47.8 -61.2 -37.2 -2.0 36.0 69.1 107 108 A T H > S+ 0 0 3 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.932 108.5 54.5 -71.1 -40.1 0.1 35.4 66.0 108 109 A L H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.907 110.5 47.2 -55.6 -45.1 -1.6 32.2 65.1 109 110 A E H X S+ 0 0 114 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.902 114.3 46.9 -66.0 -40.6 -5.0 34.0 65.2 110 111 A R H X S+ 0 0 58 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.936 114.1 45.0 -69.8 -46.6 -3.6 36.9 63.1 111 112 A V H X>S+ 0 0 0 -4,-3.5 5,-1.7 1,-0.2 4,-0.8 0.878 115.8 48.1 -68.1 -32.7 -2.0 34.6 60.4 112 113 A S H <5S+ 0 0 26 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.901 112.4 49.0 -67.6 -45.9 -5.1 32.4 60.3 113 114 A E H <5S+ 0 0 124 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 122.9 30.6 -59.7 -46.2 -7.4 35.4 60.0 114 115 A L H <5S- 0 0 44 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.387 103.8-125.3 -95.8 -6.1 -5.5 37.1 57.2 115 116 A Q T <5 + 0 0 89 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.952 42.3 175.3 56.9 50.7 -4.2 33.9 55.6 116 117 A I < - 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