==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-99 1LZ9 . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Z.DAUTER,M.DAUTER . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 K 0 0 85 0, 0.0 39,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 142.2 1.9 10.3 8.9 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.3 38,-0.1 2,-0.2 -0.917 360.0-148.8-105.4 116.1 2.0 13.6 7.2 3 3 A F - 0 0 12 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.406 9.5-124.7 -80.3 154.3 -1.5 14.9 7.0 4 4 A G > - 0 0 38 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.545 35.4-104.8 -83.2 166.8 -2.8 17.1 4.3 5 5 A R H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.970 118.4 39.0 -65.7 -54.8 -4.3 20.3 5.5 6 6 A a H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.827 113.0 57.2 -65.6 -26.9 -8.0 19.5 5.1 7 7 A E H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.875 110.1 46.1 -62.2 -45.6 -7.4 15.9 6.2 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.927 108.8 54.0 -64.9 -36.3 -6.0 17.2 9.5 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.946 111.2 46.8 -59.8 -38.2 -8.8 19.8 9.9 10 10 A A H X S+ 0 0 44 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.849 112.2 49.3 -71.2 -43.2 -11.3 16.9 9.6 11 11 A A H X S+ 0 0 19 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.900 111.8 50.2 -59.5 -40.4 -9.4 14.7 12.0 12 12 A M H <>S+ 0 0 0 -4,-3.3 5,-2.9 1,-0.2 6,-0.4 0.870 111.7 46.7 -65.7 -39.9 -9.3 17.6 14.5 13 13 A K H ><5S+ 0 0 74 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.858 108.3 55.2 -70.6 -36.9 -13.0 18.3 14.2 14 14 A R H 3<5S+ 0 0 216 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.878 107.4 51.6 -59.9 -38.3 -13.9 14.6 14.6 15 15 A H T 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.310 123.3-102.9 -88.3 8.3 -11.9 14.5 17.8 16 16 A G T < 5S+ 0 0 35 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.587 84.2 123.1 92.5 15.1 -13.7 17.6 19.3 17 17 A L > < + 0 0 0 -5,-2.9 3,-2.7 -6,-0.1 -4,-0.2 0.762 37.7 106.1 -87.3 -14.5 -11.1 20.3 18.8 18 18 A D T 3 S- 0 0 72 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.360 105.0 -6.6 -71.4 113.3 -13.2 22.7 16.7 19 19 A N T > S+ 0 0 99 4,-0.9 3,-2.7 1,-0.2 -1,-0.3 0.577 90.7 164.8 65.2 19.4 -14.0 25.6 19.1 20 20 A Y B X S-B 23 0B 69 -3,-2.7 3,-2.3 3,-0.5 -1,-0.2 -0.478 78.5 -5.5 -65.1 121.4 -12.4 23.7 22.0 21 21 A R T 3 S- 0 0 157 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.645 135.5 -59.9 56.7 34.4 -12.0 26.3 24.8 22 22 A G T < S+ 0 0 60 -3,-2.7 2,-0.7 1,-0.2 -1,-0.3 0.479 102.9 133.2 78.9 3.3 -13.1 28.8 22.2 23 23 A Y B < -B 20 0B 47 -3,-2.3 -4,-0.9 -6,-0.2 -3,-0.5 -0.908 51.5-136.6 -95.6 108.1 -10.4 28.2 19.7 24 24 A S >> - 0 0 50 -2,-0.7 3,-2.2 -5,-0.2 4,-1.0 -0.182 28.9-102.1 -59.9 152.7 -11.9 27.8 16.1 25 25 A L H 3> S+ 0 0 6 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.835 116.7 64.2 -48.7 -40.0 -10.5 25.0 14.0 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.813 98.9 57.9 -60.3 -29.4 -8.2 27.2 11.8 27 27 A N H <> S+ 0 0 19 -3,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.921 108.0 44.2 -70.0 -37.5 -6.2 28.0 15.0 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.5 -2,-0.2 0.853 114.4 49.8 -68.5 -40.5 -5.5 24.4 15.7 29 29 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.933 112.1 47.6 -63.9 -37.3 -4.6 23.8 12.0 30 30 A b H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.928 111.3 50.4 -66.7 -44.8 -2.3 26.8 11.9 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.912 112.3 48.3 -61.3 -45.8 -0.6 25.7 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 6,-1.4 0.860 108.1 56.4 -52.5 -52.8 -0.1 22.2 13.7 33 33 A K H X5S+ 0 0 60 -4,-2.2 4,-1.5 4,-0.2 -2,-0.2 0.991 115.9 32.9 -46.7 -48.4 1.3 23.7 10.5 34 34 A F H <5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.744 118.3 52.3 -88.6 -19.3 4.1 25.6 12.2 35 35 A E H <5S- 0 0 35 -4,-2.2 -1,-0.2 20,-0.2 -3,-0.2 0.889 137.5 -7.2 -79.4 -36.0 4.8 23.3 15.0 36 36 A S H ><5S- 0 0 12 -4,-2.1 3,-1.5 19,-0.4 -3,-0.2 0.417 83.2-114.0-140.5 0.0 5.3 20.1 12.9 37 37 A N T 3< - 0 0 49 4,-2.9 3,-2.1 -2,-0.2 -1,-0.0 -0.546 27.2-107.8 -94.9 165.1 14.7 21.8 23.7 47 47 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.775 116.1 61.4 -65.3 -21.9 17.8 23.4 25.3 48 48 A D T 3 S- 0 0 81 2,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.381 120.2-103.0 -85.7 -3.0 16.7 22.2 28.7 49 49 A G S < S+ 0 0 20 -3,-2.1 2,-0.2 1,-0.4 -2,-0.1 0.262 87.0 117.4 98.1 -18.9 16.8 18.5 27.7 50 50 A S - 0 0 0 19,-0.1 -4,-2.9 -5,-0.0 -1,-0.4 -0.493 54.5-142.8 -74.4-178.3 13.0 18.1 27.4 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.0 -2,-0.2 2,-0.4 -0.963 3.9-133.0-143.3 152.0 11.7 17.1 23.9 52 52 A D E -CD 44 59C 26 -8,-2.8 -8,-1.7 -2,-0.3 2,-0.4 -0.816 26.8-159.9-109.7 138.0 8.6 18.2 22.0 53 53 A Y E > -CD 43 58C 23 5,-2.0 5,-2.0 -2,-0.4 3,-0.3 -0.954 33.0 -13.0-130.6 132.4 6.5 15.4 20.2 54 54 A G T > 5S- 0 0 0 -12,-2.3 3,-1.3 -2,-0.4 30,-0.2 -0.107 97.6 -31.8 89.9-172.7 4.0 15.1 17.5 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.4 1,-0.2 -17,-0.3 0.787 140.2 35.4 -59.9 -18.3 1.8 17.4 15.4 56 56 A L T 3 5S- 0 0 0 -3,-0.3 -1,-0.2 27,-0.2 -2,-0.2 0.264 107.0-123.7-122.8 16.0 1.3 19.9 18.2 57 57 A Q T < 5 - 0 0 12 -3,-1.3 -3,-0.2 26,-0.2 2,-0.2 0.924 34.8-167.4 47.5 57.3 4.8 19.5 19.6 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-2.0 -6,-0.1 2,-0.2 -0.506 15.8-124.0 -87.2 129.2 3.9 18.6 23.1 59 59 A N E >> -D 52 0C 26 -2,-0.2 4,-1.8 -7,-0.2 3,-0.6 -0.601 7.9-144.9 -92.7 145.1 6.7 18.8 25.6 60 60 A S T 34 S+ 0 0 0 -9,-2.0 6,-0.2 -2,-0.2 13,-0.2 0.526 90.3 80.0 -80.0 -9.3 8.0 16.1 28.0 61 61 A R T 34 S- 0 0 54 11,-0.2 12,-2.3 1,-0.2 -1,-0.2 0.877 120.3 -1.8 -62.9 -38.6 8.8 18.7 30.7 62 62 A W T <4 S+ 0 0 143 -3,-0.6 13,-3.0 10,-0.2 -2,-0.2 0.595 133.4 40.7-117.7 -29.7 5.1 18.7 31.8 63 63 A W S < S+ 0 0 27 -4,-1.8 13,-2.0 11,-0.3 15,-0.3 0.787 103.5 22.3-110.0 -26.3 3.0 16.5 29.7 64 64 A c - 0 0 0 9,-0.5 2,-0.5 -5,-0.4 -1,-0.2 -0.952 67.6-115.3-141.7 160.0 4.3 13.1 28.6 65 65 A N B +e 79 0D 77 13,-2.7 15,-2.8 -2,-0.3 16,-0.4 -0.859 33.9 160.8-104.8 127.0 6.9 10.7 29.8 66 66 A D - 0 0 33 -2,-0.5 -1,-0.1 13,-0.2 8,-0.0 0.452 53.3-119.7-124.4 5.9 9.9 9.9 27.6 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.401 98.3 69.5 84.3 -11.8 12.2 8.5 30.3 68 68 A R + 0 0 119 1,-0.1 -1,-0.0 2,-0.1 -3,-0.0 0.228 64.6 94.1-136.9 29.8 14.9 11.1 29.9 69 69 A T > - 0 0 9 -9,-0.1 3,-2.1 -19,-0.0 -2,-0.1 -0.792 68.0-141.1-120.7 96.2 13.6 14.5 31.1 70 70 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.008 79.4 9.0 -64.0 128.2 14.8 14.9 34.6 71 71 A G T 3 S+ 0 0 83 1,-0.2 -10,-0.0 0, 0.0 0, 0.0 0.395 98.4 137.1 98.9 -14.2 12.4 16.5 37.0 72 72 A S < - 0 0 32 -3,-2.1 2,-0.2 1,-0.1 -10,-0.2 0.036 44.4-134.4 -76.8 167.7 9.5 16.5 34.6 73 73 A R - 0 0 149 -12,-2.3 -9,-0.5 -13,-0.2 -1,-0.1 -0.657 4.1-148.2-106.6 169.5 5.9 15.6 34.9 74 74 A N > + 0 0 49 -2,-0.2 3,-1.8 -11,-0.2 -11,-0.3 -0.578 29.3 161.5-138.9 73.3 3.5 13.5 32.8 75 75 A L T 3 S+ 0 0 62 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.784 74.4 54.6 -78.0 -12.9 0.3 15.3 33.3 76 76 A d T 3 S- 0 0 7 -13,-2.0 -1,-0.3 -14,-0.2 -12,-0.1 0.440 103.2-134.8 -78.9 -14.5 -1.3 13.7 30.2 77 77 A N < + 0 0 125 -3,-1.8 -2,-0.1 1,-0.2 -13,-0.1 0.901 63.1 108.9 55.8 60.0 -0.4 10.3 31.6 78 78 A I S S- 0 0 29 -15,-0.3 -13,-2.7 12,-0.0 2,-0.2 -0.991 75.3 -98.5-156.5 151.2 1.0 8.9 28.3 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.621 35.9-124.3 -64.6 137.4 4.3 7.9 26.8 80 80 A c G > S+ 0 0 1 -15,-2.8 3,-1.8 1,-0.3 -14,-0.1 0.816 109.7 70.1 -59.9 -31.9 5.5 10.7 24.6 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.822 85.7 67.1 -52.0 -30.7 5.7 8.0 21.8 82 82 A A G X S+ 0 0 29 -3,-1.5 3,-1.0 1,-0.3 9,-0.3 0.761 92.5 63.1 -51.2 -34.2 1.9 8.0 21.8 83 83 A L G < S+ 0 0 1 -3,-1.8 -28,-0.5 -4,-0.4 -1,-0.3 0.451 95.4 57.2 -71.7 -4.8 2.1 11.5 20.5 84 84 A L G < S+ 0 0 43 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.459 80.6 123.8-112.3 7.3 3.9 10.3 17.3 85 85 A S S < S- 0 0 52 -3,-1.0 6,-0.1 -4,-0.2 -3,-0.0 -0.149 71.6-125.7 -68.3 153.8 1.1 8.0 16.2 86 86 A S S S+ 0 0 75 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.796 102.4 75.6 -68.1 -17.2 -0.7 8.3 12.8 87 87 A D S > S- 0 0 86 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.820 75.7-156.6 -98.1 118.1 -3.8 8.4 15.0 88 88 A I T 3> + 0 0 5 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.306 61.9 107.1 -77.9 5.4 -4.0 11.8 16.5 89 89 A T H 3> S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 82.1 45.3 -52.8 -44.7 -6.2 10.9 19.5 90 90 A A H <> S+ 0 0 26 -3,-0.5 4,-2.5 -8,-0.3 5,-0.3 0.946 112.6 50.0 -72.2 -24.9 -3.5 11.1 22.1 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.848 113.5 47.4 -71.3 -45.7 -2.2 14.4 20.7 92 92 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 111.3 48.0 -63.5 -46.1 -5.7 15.9 20.8 93 93 A N H X S+ 0 0 75 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.860 114.9 46.8 -63.3 -41.0 -6.6 14.7 24.3 94 94 A d H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.903 109.7 53.0 -69.2 -36.3 -3.4 16.1 25.6 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.865 104.5 56.8 -58.4 -41.1 -3.8 19.4 23.7 96 96 A K H X S+ 0 0 40 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.912 109.5 46.0 -66.9 -27.6 -7.3 19.8 25.3 97 97 A K H < S+ 0 0 89 -4,-1.2 3,-0.4 -3,-0.2 4,-0.3 0.917 113.5 49.5 -68.1 -41.9 -5.6 19.5 28.8 98 98 A I H >< S+ 0 0 7 -4,-2.5 3,-1.7 1,-0.2 5,-0.3 0.948 110.3 47.5 -63.3 -44.2 -2.8 22.0 27.8 99 99 A V H 3< S+ 0 0 4 -4,-3.0 5,-0.5 1,-0.3 3,-0.3 0.614 109.9 55.2 -75.8 -10.0 -5.1 24.7 26.4 100 100 A S T 3< S+ 0 0 32 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.420 84.4 90.4 -89.4 -6.5 -7.3 24.4 29.6 101 101 A D S < S- 0 0 116 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.518 110.3 -84.0 -80.6 -12.5 -4.2 25.0 31.9 102 102 A G S S+ 0 0 64 -3,-0.3 -3,-0.1 -4,-0.1 -4,-0.0 -0.051 117.2 62.5 143.8 -37.5 -4.5 28.9 32.1 103 103 A N S > S- 0 0 125 1,-0.4 3,-1.7 -5,-0.3 -4,-0.1 0.251 81.0-152.1-111.1 15.4 -2.8 30.5 29.0 104 104 A G G > S- 0 0 11 -5,-0.5 3,-1.4 1,-0.2 -1,-0.4 -0.323 70.4 -13.5 49.9-142.0 -5.0 29.0 26.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.4 0.567 117.2 87.9 -80.8 3.6 -3.2 28.6 23.1 106 106 A N G < + 0 0 48 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.627 69.2 79.1 -71.7 -10.1 -0.3 30.8 24.2 107 107 A A G < S+ 0 0 56 -3,-1.4 2,-0.9 1,-0.2 -1,-0.3 0.723 84.9 68.4 -65.7 -20.7 1.2 27.6 25.6 108 108 A W S <> S- 0 0 11 -3,-2.2 4,-2.0 1,-0.2 3,-0.4 -0.862 74.3-164.9 -99.5 100.9 2.2 27.0 21.9 109 109 A V H > S+ 0 0 81 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.856 87.6 55.4 -56.8 -32.5 4.8 29.7 21.3 110 110 A A H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.840 106.2 51.2 -70.3 -32.6 4.5 29.2 17.5 111 111 A W H >>S+ 0 0 12 -3,-0.4 5,-3.2 -6,-0.2 4,-2.7 0.974 111.0 47.5 -72.1 -32.8 0.7 29.8 17.7 112 112 A R H <5S+ 0 0 113 -4,-2.0 -2,-0.2 -7,-0.4 -1,-0.2 0.902 121.7 36.8 -63.6 -39.2 1.3 33.1 19.6 113 113 A N H <5S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.697 133.0 20.3 -90.8 -14.5 3.9 34.2 17.1 114 114 A R H <5S+ 0 0 137 -4,-2.1 -3,-0.2 -3,-0.3 -2,-0.2 0.591 132.6 26.6-130.9 -11.2 2.6 33.0 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.7 3,-2.1 -5,-0.4 -3,-0.2 0.743 85.2 103.7-125.4 -47.9 -1.1 32.3 14.2 116 116 A K T 3 + 0 0 114 1,-0.2 3,-1.8 -2,-0.2 4,-0.3 -0.479 54.3 172.1 -84.0 82.0 -6.9 35.1 9.5 120 120 A V G > + 0 0 15 -2,-2.3 3,-1.5 1,-0.3 4,-0.3 0.686 64.1 77.3 -68.3 -26.9 -6.7 31.6 10.8 121 121 A Q G >> S+ 0 0 103 1,-0.2 3,-1.9 -3,-0.2 4,-0.7 0.811 76.5 75.4 -56.9 -13.5 -9.8 30.7 8.8 122 122 A A G X4 S+ 0 0 31 -3,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.832 86.3 65.3 -61.4 -25.2 -7.6 30.5 5.7 123 123 A W G <4 S+ 0 0 53 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.645 111.3 31.9 -74.9 -11.8 -6.3 27.2 7.0 124 124 A I G X4 S+ 0 0 33 -3,-1.9 3,-2.0 -4,-0.3 -1,-0.3 0.449 89.0 127.4-121.0 3.7 -9.7 25.5 6.7 125 125 A R T << S+ 0 0 129 -3,-0.7 3,-0.1 -4,-0.7 -3,-0.1 -0.126 77.9 15.0 -73.2 136.4 -10.9 27.4 3.6 126 126 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -120,-0.0 2,-0.3 0.383 95.9 128.0 87.6 -12.0 -12.0 25.1 0.9 127 127 A a < - 0 0 19 -3,-2.0 2,-0.6 1,-0.0 -1,-0.2 -0.626 63.9-122.5 -86.0 143.1 -12.2 22.0 3.1 128 128 A R 0 0 249 -2,-0.3 -118,-0.1 -3,-0.1 -1,-0.0 -0.707 360.0 360.0 -78.1 114.6 -15.3 19.8 3.4 129 129 A L 0 0 95 -2,-0.6 -119,-0.0 -116,-0.0 -2,-0.0 -0.940 360.0 360.0-127.5 360.0 -16.1 19.9 7.1