==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JAN-10 2X3L . COMPND 2 MOLECULE: ORN/LYS/ARG DECARBOXYLASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.F.WHITE, . 843 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 3 0.4 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 . 56 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 0 0 0 0 4 8 4 1 1 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 2 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 . 7 5 5 8 0 2 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 . 6 2 2 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 5 A P > 0 0 59 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.0 -13.5 5.7 19.3 2 6 A I H > + 0 0 0 476,-0.3 4,-2.1 2,-0.2 5,-0.1 0.936 360.0 43.5 -62.8 -45.8 -10.5 3.6 18.3 3 7 A L H > S+ 0 0 30 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.934 109.6 56.1 -64.6 -47.8 -8.9 4.3 21.7 4 8 A N H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 111.0 44.9 -52.4 -42.7 -12.2 3.7 23.6 5 9 A K H X S+ 0 0 43 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.936 112.3 50.8 -66.1 -48.8 -12.5 0.3 22.1 6 10 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.890 111.9 48.6 -57.1 -41.2 -8.9 -0.6 22.7 7 11 A E H X S+ 0 0 73 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.884 109.5 50.8 -65.7 -41.1 -9.2 0.5 26.4 8 12 A S H X S+ 0 0 36 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.786 105.8 56.9 -70.6 -29.3 -12.4 -1.6 26.9 9 13 A L H ><>S+ 0 0 1 -4,-2.0 5,-1.9 2,-0.2 3,-0.5 0.893 109.3 46.0 -62.0 -42.5 -10.6 -4.6 25.5 10 14 A N H ><5S+ 0 0 51 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.867 109.4 54.8 -66.9 -37.7 -8.0 -4.1 28.2 11 15 A Q H 3<5S+ 0 0 167 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.599 107.4 50.5 -72.4 -12.5 -10.7 -3.6 30.9 12 16 A E T <<5S- 0 0 87 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 -0.012 111.8-118.9-113.4 27.1 -12.3 -7.0 30.0 13 17 A E T < 5 - 0 0 75 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.826 36.1-153.9 32.4 55.9 -9.0 -8.9 30.2 14 18 A A < - 0 0 13 -5,-1.9 2,-0.6 1,-0.1 293,-0.2 -0.298 1.1-144.5 -58.7 129.2 -9.1 -9.9 26.5 15 19 A I E -a 307 0A 4 291,-2.6 293,-2.8 290,-0.1 2,-0.5 -0.887 14.1-141.0 -99.8 117.9 -7.2 -13.2 25.8 16 20 A S E +a 308 0A 2 -2,-0.6 293,-0.1 7,-0.3 294,-0.1 -0.664 38.3 158.4 -83.0 123.1 -5.5 -13.2 22.4 17 21 A L E +a 309 0A 5 291,-2.8 303,-2.3 -2,-0.5 293,-0.7 -0.238 67.5 79.1-118.3 37.6 -5.3 -16.3 20.3 18 22 A H S S- 0 0 1 291,-0.2 5,-0.2 2,-0.2 292,-0.1 -0.768 82.4 -39.2-132.3 174.2 -4.7 -14.0 17.3 19 23 A V S S+ 0 0 5 -2,-0.2 182,-0.2 2,-0.1 2,-0.1 -0.474 91.2 64.6 -71.4 149.4 -1.9 -11.9 15.7 20 24 A P S > S- 0 0 0 0, 0.0 3,-1.5 0, 0.0 181,-0.3 0.565 75.0-132.3 -83.4 173.7 0.4 -10.3 16.7 21 25 A G T 3 S+ 0 0 3 179,-3.0 302,-0.4 182,-0.8 180,-0.1 0.362 96.9 72.3 -78.6 0.8 2.7 -12.8 18.5 22 26 A H T 3>>S- 0 0 0 183,-0.4 5,-3.1 181,-0.3 4,-1.6 0.581 91.9-143.2 -85.5 -13.6 3.2 -10.7 21.7 23 27 A K T <45S- 0 0 3 -3,-1.5 3,-0.3 1,-0.2 -7,-0.3 0.908 72.0 -33.4 61.1 54.3 -0.4 -11.6 22.6 24 28 A N T 45S- 0 0 12 438,-0.3 -1,-0.2 1,-0.2 436,-0.2 0.881 116.0 -60.4 63.2 40.2 -1.5 -8.3 24.3 25 29 A M T 45S+ 0 0 41 434,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.742 116.6 110.7 61.8 28.9 2.1 -7.8 25.6 26 30 A T T <5 + 0 0 22 -4,-1.6 303,-2.8 -3,-0.3 2,-0.4 0.644 69.8 56.7 -98.9 -23.5 1.9 -11.1 27.6 27 31 A I S S+ 0 0 55 175,-0.3 3,-1.6 -2,-0.2 -1,-0.1 -0.075 78.4 123.2-127.2 33.5 10.1 -8.9 26.2 30 34 A L G > + 0 0 3 1,-0.3 3,-1.1 -3,-0.3 -1,-0.1 0.464 57.1 84.8 -77.1 -2.0 8.5 -5.8 24.5 31 35 A S G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.597 78.9 68.5 -66.7 -13.6 8.0 -4.4 28.0 32 36 A Q G < S+ 0 0 100 -3,-1.6 -1,-0.2 2,-0.0 2,-0.2 0.600 89.3 83.4 -78.3 -13.8 11.6 -3.2 27.6 33 37 A L < - 0 0 15 -3,-1.1 2,-0.3 -4,-0.1 426,-0.1 -0.568 58.1-174.8 -86.8 153.8 10.3 -0.8 24.9 34 38 A S > - 0 0 47 -2,-0.2 3,-1.8 424,-0.0 424,-0.0 -0.977 37.2-122.4-139.9 153.1 8.8 2.6 25.6 35 39 A M G > S+ 0 0 15 -2,-0.3 3,-1.1 1,-0.3 414,-0.2 0.587 109.2 76.3 -71.1 -9.7 7.2 5.1 23.2 36 40 A T G 3 S+ 0 0 38 1,-0.2 -1,-0.3 412,-0.2 414,-0.1 0.779 88.7 60.1 -62.0 -27.3 9.9 7.5 24.5 37 41 A M G < S+ 0 0 7 -3,-1.8 2,-1.6 1,-0.1 -1,-0.2 0.349 71.4 109.9 -84.4 2.7 12.1 5.5 22.1 38 42 A D < + 0 0 0 -3,-1.1 410,-0.4 200,-0.1 411,-0.2 -0.652 52.0 134.6 -78.6 88.6 10.0 6.5 19.1 39 43 A K - 0 0 2 -2,-1.6 199,-0.4 408,-0.1 2,-0.2 -0.038 43.5-122.0-118.5-146.8 12.7 8.7 17.6 40 44 A T - 0 0 12 197,-0.1 2,-2.7 -2,-0.1 5,-0.2 -0.830 49.8 -50.8-155.2-173.6 14.3 9.3 14.2 41 45 A E S S+ 0 0 112 -2,-0.2 3,-0.1 3,-0.1 6,-0.0 -0.175 75.9 146.4 -73.0 51.5 17.6 9.4 12.1 42 46 A I > - 0 0 5 -2,-2.7 3,-1.5 1,-0.1 692,-0.1 -0.453 65.9 -75.6 -74.9 156.6 19.4 11.6 14.7 43 47 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.362 124.4 36.1 -57.6 134.6 23.2 11.0 15.1 44 48 A G T 3 S+ 0 0 21 1,-0.5 2,-0.3 -3,-0.1 10,-0.2 -0.311 105.6 77.5 110.0 -46.4 23.7 7.8 17.2 45 49 A L S < S- 0 0 8 -3,-1.5 -1,-0.5 1,-0.2 381,-0.0 -0.680 81.0-138.1 -87.0 154.9 20.7 6.1 15.6 46 50 A D - 0 0 20 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.584 19.6 -97.6 -90.2-127.2 21.5 4.8 12.1 47 51 A D > - 0 0 29 1,-0.0 3,-1.5 -6,-0.0 6,-0.1 -0.735 14.6-149.5-165.3 110.5 19.3 4.9 8.9 48 52 A L T 3 S+ 0 0 18 1,-0.3 24,-0.1 -2,-0.2 -1,-0.0 0.793 101.5 48.9 -56.3 -30.3 17.2 1.9 7.8 49 53 A H T 3 S+ 0 0 27 1,-0.2 -1,-0.3 185,-0.1 180,-0.1 0.594 127.5 24.0 -88.2 -12.4 17.6 2.9 4.1 50 54 A H S < S- 0 0 147 -3,-1.5 2,-0.4 179,-0.0 -1,-0.2 -0.440 83.5-178.2-145.9 64.6 21.4 3.3 4.4 51 55 A P + 0 0 30 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.574 26.7 136.6 -81.0 122.2 22.5 1.2 7.4 52 56 A E S S+ 0 0 162 -2,-0.4 2,-0.1 4,-0.0 -6,-0.0 0.193 70.6 29.1-142.0 13.9 26.2 1.2 8.3 53 57 A E S > S- 0 0 114 -6,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.022 121.9 -5.2-138.3-115.2 26.2 1.5 12.2 54 58 A V H > S+ 0 0 23 -10,-0.2 4,-2.0 1,-0.2 372,-0.2 0.829 133.1 46.4 -66.9 -33.9 23.7 0.3 14.9 55 59 A I H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.808 112.0 51.1 -78.0 -33.0 21.0 -1.0 12.5 56 60 A L H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.909 111.4 48.5 -64.1 -45.2 23.6 -2.8 10.3 57 61 A K H X S+ 0 0 144 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.913 111.5 50.1 -60.5 -42.5 24.9 -4.4 13.5 58 62 A S H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.858 105.6 56.3 -64.2 -37.8 21.3 -5.3 14.4 59 63 A M H X S+ 0 0 20 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.909 103.1 55.6 -58.1 -42.4 20.8 -6.8 10.9 60 64 A K H >< S+ 0 0 130 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.894 107.4 48.8 -58.4 -40.7 23.7 -9.1 11.6 61 65 A Q H 3< S+ 0 0 117 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.769 101.0 64.8 -71.6 -24.6 22.0 -10.3 14.8 62 66 A V H 3< S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.615 78.3 122.7 -71.1 -11.7 18.7 -10.9 12.8 63 67 A E << + 0 0 58 -3,-1.0 3,-0.1 -4,-0.5 6,-0.1 -0.233 29.8 167.0 -55.2 132.1 20.6 -13.6 10.9 64 68 A K S S+ 0 0 52 1,-0.4 2,-0.4 4,-0.1 -1,-0.2 0.587 74.1 28.6-110.1 -29.8 19.0 -17.1 11.0 65 69 A H > - 0 0 51 3,-0.1 3,-1.6 1,-0.1 -1,-0.4 -0.997 67.6-138.6-140.0 137.5 21.2 -18.4 8.1 66 70 A S T 3 S+ 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.619 101.5 65.5 -72.8 -13.1 24.7 -17.5 6.9 67 71 A D T 3 S+ 0 0 69 121,-0.1 149,-2.7 148,-0.1 2,-0.3 0.477 101.0 63.7 -84.2 -1.6 23.6 -17.8 3.2 68 72 A Y E < -B 215 0B 2 -3,-1.6 2,-0.5 147,-0.3 147,-0.2 -0.913 66.0-144.0-127.5 151.0 21.2 -14.8 3.7 69 73 A D E -B 214 0B 50 145,-2.2 145,-2.6 -2,-0.3 2,-0.3 -0.956 26.7-143.5-105.2 126.9 21.2 -11.1 4.5 70 74 A G E -B 213 0B 6 -2,-0.5 2,-0.4 -11,-0.3 143,-0.2 -0.720 12.8-164.6 -92.7 141.6 18.2 -10.0 6.6 71 75 A Y E -B 212 0B 31 141,-2.3 141,-2.4 -2,-0.3 2,-0.1 -0.995 21.2-120.4-128.3 128.0 16.5 -6.6 6.1 72 76 A F E -B 211 0B 3 -2,-0.4 2,-0.4 139,-0.2 139,-0.2 -0.387 23.5-160.1 -66.2 141.1 14.1 -5.0 8.5 73 77 A L E +B 210 0B 0 137,-2.8 137,-2.5 1,-0.1 3,-0.3 -0.995 19.2 174.4-123.6 122.8 10.6 -4.3 7.2 74 78 A V S S+ 0 0 0 -2,-0.4 -1,-0.1 135,-0.2 3,-0.1 0.563 82.0 57.7-101.5 -13.8 8.4 -1.7 9.0 75 79 A N S > S- 0 0 0 1,-0.4 4,-1.6 424,-0.1 -1,-0.2 -0.281 114.4-106.7-106.8 42.3 5.6 -1.9 6.4 76 80 A G H > - 0 0 0 132,-2.9 4,-0.9 -3,-0.3 3,-0.4 0.095 49.4 -56.6 69.5-179.1 5.0 -5.6 6.8 77 81 A T H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.777 128.9 75.3 -66.0 -28.5 5.9 -8.5 4.6 78 82 A T H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.929 92.8 48.8 -43.6 -55.6 3.8 -6.6 2.0 79 83 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.892 112.5 49.6 -59.8 -40.8 6.7 -4.1 1.5 80 84 A G H X S+ 0 0 0 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.926 110.3 49.1 -59.0 -49.6 9.1 -7.0 1.1 81 85 A I H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.942 112.3 49.1 -59.6 -44.6 6.9 -8.8 -1.4 82 86 A L H X S+ 0 0 1 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.905 110.0 51.8 -60.7 -40.2 6.5 -5.5 -3.4 83 87 A S H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.929 110.8 45.7 -67.0 -45.2 10.3 -4.9 -3.4 84 88 A V H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 4,-0.4 0.954 115.8 44.8 -61.2 -51.0 11.3 -8.4 -4.8 85 89 A I H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 4,-0.3 0.892 105.6 59.9 -66.2 -42.3 8.6 -8.5 -7.5 86 90 A Q H >< S+ 0 0 5 -4,-2.1 3,-1.7 1,-0.3 4,-0.3 0.842 96.2 63.9 -51.7 -38.1 9.2 -4.9 -8.8 87 91 A S T 3< S+ 0 0 5 -4,-1.1 -1,-0.3 -3,-0.4 3,-0.3 0.686 98.1 54.3 -65.0 -20.7 12.9 -5.8 -9.5 88 92 A F T X S+ 0 0 4 -3,-1.8 3,-1.7 -4,-0.4 -1,-0.3 0.465 79.9 102.2 -88.7 -2.5 11.8 -8.4 -12.2 89 93 A S T < S+ 0 0 25 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.835 80.6 43.4 -55.5 -44.5 9.7 -5.8 -14.1 90 94 A Q T 3 S+ 0 0 144 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.491 99.0 94.2 -84.9 1.1 12.1 -5.1 -17.0 91 95 A K S < S- 0 0 77 -3,-1.7 2,-0.1 1,-0.1 47,-0.1 -0.639 79.6-108.6 -95.5 152.6 13.0 -8.8 -17.5 92 96 A K S S+ 0 0 193 -2,-0.2 2,-0.1 45,-0.1 -1,-0.1 -0.439 73.9 44.6 -83.0 149.1 11.3 -11.1 -19.9 93 97 A G S S- 0 0 6 -2,-0.1 22,-0.3 45,-0.1 2,-0.2 -0.364 80.6 -78.1 108.0 172.1 8.9 -13.9 -18.9 94 98 A D - 0 0 30 -2,-0.1 44,-2.6 20,-0.1 45,-1.0 -0.592 35.2-109.7-106.9 166.6 6.0 -14.3 -16.5 95 99 A I E -cd 116 139B 0 20,-2.1 22,-2.1 -2,-0.2 2,-0.3 -0.881 31.4-140.5 -98.7 121.7 5.8 -14.7 -12.7 96 100 A L E -cd 117 140B 29 43,-3.6 45,-3.0 -2,-0.6 2,-0.4 -0.603 26.4-169.5 -85.7 140.0 4.6 -18.2 -11.7 97 101 A M E -cd 118 141B 0 20,-2.4 22,-3.1 -2,-0.3 45,-0.2 -0.992 27.1-127.7-143.2 133.8 2.2 -18.3 -8.8 98 102 A A > - 0 0 1 43,-2.0 3,-1.3 -2,-0.4 22,-0.1 -0.395 35.1-120.2 -59.8 149.4 0.4 -20.6 -6.3 99 103 A R T 3 S+ 0 0 2 20,-0.3 -1,-0.1 1,-0.3 31,-0.1 0.637 112.4 58.8 -75.3 -12.6 -3.4 -20.0 -6.2 100 104 A N T 3 S+ 0 0 36 43,-0.1 -1,-0.3 29,-0.0 2,-0.1 -0.068 74.1 138.9-103.6 31.1 -3.1 -19.1 -2.5 101 105 A V < - 0 0 9 -3,-1.3 2,-0.1 1,-0.1 -4,-0.0 -0.455 60.4-104.8 -65.4 150.0 -0.6 -16.2 -3.1 102 106 A H >> - 0 0 32 -2,-0.1 3,-1.6 1,-0.1 4,-1.0 -0.363 29.1-105.4 -75.1 157.5 -1.5 -13.3 -0.9 103 107 A K H 3> S+ 0 0 88 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.798 116.4 66.9 -55.3 -32.4 -3.1 -10.2 -2.3 104 108 A S H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.774 96.0 57.3 -61.8 -27.1 0.2 -8.2 -2.1 105 109 A V H <> S+ 0 0 0 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.942 111.0 40.5 -68.3 -47.5 1.6 -10.5 -4.8 106 110 A L H X S+ 0 0 11 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.856 113.7 54.7 -69.4 -35.5 -1.2 -9.7 -7.2 107 111 A H H X S+ 0 0 20 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.912 107.4 52.2 -59.4 -40.7 -1.0 -6.0 -6.1 108 112 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.920 108.7 47.4 -66.3 -45.6 2.7 -6.2 -7.0 109 113 A L H X>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 4,-1.0 0.857 113.7 50.8 -59.8 -35.5 2.1 -7.6 -10.6 110 114 A D H <5S+ 0 0 13 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.917 113.3 41.6 -71.9 -46.1 -0.5 -4.9 -11.1 111 115 A I H <5S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.884 123.1 40.3 -69.0 -36.1 1.6 -1.9 -10.0 112 116 A S H <5S- 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.566 105.5-131.5 -87.9 -12.1 4.6 -3.3 -11.8 113 117 A Q T <5 + 0 0 91 -4,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.959 47.7 158.4 59.5 58.0 2.5 -4.4 -14.9 114 118 A Q < - 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