==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-01 1JIY . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.DATTA,B.K.BISWAL,M.VIJAYAN . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6655.0 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 . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 24.8 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 88 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 138.6 2.5 10.5 9.1 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.914 360.0-145.5-104.0 112.7 2.5 13.8 7.3 3 3 A F - 0 0 13 35,-2.9 2,-0.2 -2,-0.7 3,-0.0 -0.377 7.8-124.2 -77.0 155.3 -1.1 15.2 7.2 4 4 A G > - 0 0 34 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.610 31.6-109.9 -90.4 158.7 -2.7 17.2 4.5 5 5 A R H > S+ 0 0 67 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.956 117.3 34.9 -54.0 -58.1 -4.1 20.5 5.5 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.824 113.8 59.6 -67.9 -33.7 -7.8 19.5 5.1 7 7 A E H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 109.0 43.7 -61.6 -42.4 -7.2 16.0 6.2 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.885 109.3 56.7 -70.2 -39.5 -5.9 17.3 9.6 9 9 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.898 109.3 46.8 -58.9 -40.1 -8.7 19.8 9.9 10 10 A A H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.901 112.3 49.7 -68.8 -40.6 -11.3 17.0 9.6 11 11 A A H X S+ 0 0 17 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.909 113.2 45.6 -65.3 -42.7 -9.4 14.8 12.1 12 12 A M H <>S+ 0 0 1 -4,-2.9 5,-2.3 2,-0.2 6,-0.3 0.906 111.6 52.4 -67.0 -41.0 -9.2 17.7 14.6 13 13 A K H ><5S+ 0 0 83 -4,-2.2 3,-1.6 -5,-0.3 5,-0.2 0.917 108.2 51.5 -60.0 -43.7 -12.9 18.6 14.1 14 14 A R H 3<5S+ 0 0 198 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 106.7 54.0 -64.8 -30.0 -13.9 15.0 14.7 15 15 A H T 3<5S- 0 0 28 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.337 123.0-104.1 -87.7 7.9 -11.9 14.9 18.0 16 16 A G T < 5S+ 0 0 36 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.726 82.1 126.6 81.0 25.0 -13.7 18.0 19.2 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.0 2,-0.1 2,-0.4 0.710 37.5 107.0 -86.3 -20.5 -11.1 20.7 18.8 18 18 A D T 3 S- 0 0 55 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.458 105.1 -9.8 -64.3 116.5 -13.3 23.1 16.7 19 19 A N T > S+ 0 0 101 4,-1.7 3,-2.3 -2,-0.4 2,-0.3 0.582 91.3 164.4 69.6 13.3 -14.2 26.0 19.1 20 20 A Y B X S-B 23 0B 60 -3,-2.0 3,-1.6 3,-0.7 -1,-0.2 -0.469 77.5 -7.3 -64.5 122.2 -12.7 24.1 22.0 21 21 A R T 3 S- 0 0 150 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.792 136.0 -56.5 60.2 27.6 -12.3 26.6 24.8 22 22 A G T < S+ 0 0 65 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.464 104.8 127.5 87.2 1.7 -13.2 29.3 22.3 23 23 A Y B < -B 20 0B 49 -3,-1.6 -4,-1.7 -6,-0.1 -3,-0.7 -0.837 54.1-134.2 -99.8 114.8 -10.5 28.6 19.6 24 24 A S >> - 0 0 42 -2,-0.7 3,-1.8 -5,-0.2 4,-0.9 -0.183 28.2-103.8 -61.1 154.4 -11.9 28.1 16.1 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.826 117.4 65.6 -48.2 -40.4 -10.6 25.1 14.0 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.811 96.2 57.1 -54.9 -33.4 -8.3 27.4 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.912 107.0 46.9 -64.9 -43.8 -6.2 28.2 15.0 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.880 112.8 48.2 -67.2 -39.9 -5.4 24.6 15.7 29 29 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.885 111.5 51.0 -68.4 -38.4 -4.5 23.8 12.1 30 30 A b H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.913 110.5 49.3 -64.9 -41.2 -2.3 26.9 12.0 31 31 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.923 111.3 48.4 -64.2 -44.4 -0.5 25.9 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 6,-1.2 0.895 108.3 56.4 -62.1 -41.0 0.1 22.4 13.8 33 33 A K H X5S+ 0 0 62 -4,-2.2 4,-1.2 4,-0.2 -1,-0.2 0.934 116.6 32.8 -57.1 -50.6 1.4 23.8 10.6 34 34 A F H <5S+ 0 0 58 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.662 118.9 52.0 -85.3 -15.8 4.1 25.9 12.2 35 35 A E H <5S- 0 0 36 -4,-1.9 -2,-0.2 20,-0.2 -3,-0.2 0.891 138.4 -7.0 -84.9 -40.2 4.9 23.7 15.1 36 36 A S H ><5S- 0 0 12 -4,-2.4 3,-1.2 19,-0.4 -3,-0.2 0.403 85.6-115.8-136.6 -0.5 5.5 20.5 13.1 37 37 A N T 3< - 0 0 55 4,-3.1 3,-2.1 -2,-0.3 -1,-0.0 -0.708 26.3-109.4-108.5 160.7 15.4 22.3 24.0 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.822 115.6 60.3 -55.8 -34.7 18.2 23.9 25.9 48 48 A D T 3 S- 0 0 82 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.428 121.6-103.7 -77.4 4.0 16.7 22.9 29.2 49 49 A G S < S+ 0 0 22 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.319 84.1 120.1 94.1 -10.2 16.9 19.2 28.3 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.376 50.8-142.6 -83.9 167.7 13.3 18.7 27.5 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.0 -2,-0.1 2,-0.4 -0.974 5.0-135.2-134.1 146.0 11.9 17.6 24.2 52 52 A D E -CD 44 59C 27 -8,-2.7 -8,-1.5 -2,-0.3 2,-0.4 -0.853 26.9-157.3-100.4 136.0 8.8 18.6 22.2 53 53 A Y E > -CD 43 58C 25 5,-2.0 5,-2.2 -2,-0.4 3,-0.4 -0.932 31.3 -22.4-125.4 140.4 6.8 15.8 20.6 54 54 A G T > 5S- 0 0 0 -12,-1.9 3,-1.7 -2,-0.4 30,-0.2 -0.039 98.2 -25.3 75.7-171.3 4.4 15.4 17.7 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.792 142.1 32.1 -50.2 -38.2 2.0 17.4 15.6 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.245 105.8-124.5-108.8 11.6 1.5 20.0 18.4 57 57 A Q T < 5 - 0 0 11 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.910 32.4-163.4 45.6 60.7 5.0 19.7 19.9 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.0 -6,-0.1 2,-0.2 -0.599 17.2-120.9 -77.7 129.0 4.0 18.9 23.4 59 59 A N E >>> -D 52 0C 29 -2,-0.4 4,-2.0 -7,-0.2 3,-0.7 -0.469 5.4-144.8 -77.9 139.2 6.8 19.4 25.9 60 60 A S T 345S+ 0 0 0 -9,-2.0 6,-0.2 1,-0.2 9,-0.1 0.541 89.6 77.5 -76.8 -10.1 8.2 16.7 28.2 61 61 A R T 345S- 0 0 54 -10,-0.2 12,-3.0 11,-0.2 -1,-0.2 0.855 120.3 -0.2 -69.6 -32.2 8.9 19.0 31.1 62 62 A W T <45S+ 0 0 138 -3,-0.7 13,-2.8 10,-0.2 -2,-0.2 0.688 131.3 42.7-127.8 -28.8 5.2 19.1 32.0 63 63 A W T <5S+ 0 0 30 -4,-2.0 13,-1.8 11,-0.2 15,-0.4 0.773 107.2 17.7-101.1 -28.4 3.0 17.0 29.8 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.3 -1,-0.1 -0.952 67.3-115.7-142.5 162.6 4.5 13.6 28.9 65 65 A N B +e 79 0D 75 13,-2.2 15,-2.1 -2,-0.3 16,-0.4 -0.880 31.3 162.3-104.7 126.2 7.2 11.2 30.1 66 66 A D - 0 0 37 -2,-0.5 -1,-0.1 -6,-0.2 -6,-0.0 0.248 53.0-119.8-119.8 8.2 10.2 10.4 28.0 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.495 98.8 72.6 68.6 4.1 12.4 9.1 30.7 68 68 A R + 0 0 119 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.155 66.2 90.3-136.1 22.2 15.2 11.7 30.2 69 69 A T S > S- 0 0 7 -9,-0.1 3,-0.9 3,-0.0 -2,-0.1 -0.813 74.3-138.6-120.7 86.1 13.8 14.9 31.5 70 70 A P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -20,-0.0 -0.091 79.1 3.9 -46.8 134.5 14.8 15.0 35.2 71 71 A G T 3 S+ 0 0 84 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.866 96.7 149.7 55.6 41.0 12.2 16.3 37.7 72 72 A S < - 0 0 35 -3,-0.9 2,-0.2 1,-0.0 -10,-0.2 -0.638 43.4-121.9-103.4 161.9 9.6 16.6 35.0 73 73 A R - 0 0 141 -12,-3.0 -9,-0.3 -2,-0.2 3,-0.1 -0.659 5.5-156.4 -99.0 156.8 5.8 16.3 35.2 74 74 A N > + 0 0 55 -2,-0.2 3,-2.0 -11,-0.1 -11,-0.2 -0.507 29.1 160.0-128.6 59.0 3.6 13.9 33.3 75 75 A L T 3 S+ 0 0 68 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.720 74.6 49.2 -56.3 -27.1 0.4 15.9 33.5 76 76 A d T 3 S- 0 0 9 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.500 104.6-132.0 -91.7 -4.2 -1.1 14.1 30.5 77 77 A N < + 0 0 125 -3,-2.0 -13,-0.1 1,-0.2 -2,-0.1 0.901 65.4 109.4 55.3 50.4 -0.2 10.7 31.9 78 78 A I S S- 0 0 35 -15,-0.4 -13,-2.2 16,-0.0 2,-0.3 -0.994 74.7-103.0-151.6 153.1 1.3 9.3 28.8 79 79 A P B > -e 65 0D 70 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.602 35.6-124.5 -75.8 138.4 4.7 8.3 27.3 80 80 A c G > S+ 0 0 0 -15,-2.1 3,-1.7 1,-0.3 -14,-0.1 0.784 108.0 69.5 -54.3 -26.8 5.8 11.1 24.9 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.812 86.3 66.8 -62.1 -28.7 6.2 8.4 22.2 82 82 A A G X S+ 0 0 33 -3,-2.1 3,-0.8 1,-0.3 -1,-0.3 0.714 91.7 63.5 -64.0 -19.9 2.4 8.1 22.1 83 83 A L G < S+ 0 0 2 -3,-1.7 -28,-0.5 -4,-0.4 -1,-0.3 0.423 92.9 62.1 -84.9 0.7 2.3 11.6 20.8 84 84 A L G < S+ 0 0 47 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.382 78.4 120.7-105.0 1.4 4.2 10.6 17.6 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.212 73.7-124.7 -66.0 154.4 1.4 8.2 16.4 86 86 A S S S+ 0 0 75 2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.687 102.0 78.9 -70.8 -17.2 -0.4 8.5 13.1 87 87 A D S > S- 0 0 89 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.848 72.1-161.6 -92.6 113.2 -3.5 8.5 15.3 88 88 A I T 3> + 0 0 7 -2,-0.7 4,-2.9 1,-0.2 5,-0.3 0.455 61.6 105.2 -78.0 0.7 -3.7 12.0 16.8 89 89 A T H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 80.9 46.6 -46.7 -52.2 -6.1 11.1 19.6 90 90 A A H <> S+ 0 0 28 -3,-0.5 4,-1.9 -8,-0.3 -1,-0.2 0.914 114.0 48.3 -59.4 -45.2 -3.4 11.2 22.3 91 91 A S H > S+ 0 0 5 -4,-0.3 4,-2.6 -9,-0.3 -1,-0.2 0.930 112.7 48.1 -61.3 -47.3 -2.1 14.6 21.1 92 92 A V H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.931 111.3 49.2 -61.1 -47.9 -5.5 16.1 20.9 93 93 A N H X S+ 0 0 81 -4,-2.7 4,-0.8 -5,-0.3 -1,-0.2 0.865 114.2 45.6 -62.2 -35.6 -6.6 14.9 24.4 94 94 A d H >X S+ 0 0 3 -4,-1.9 4,-2.1 -5,-0.2 3,-0.5 0.892 109.3 55.8 -74.4 -37.1 -3.3 16.3 25.9 95 95 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.2 0.874 101.7 58.0 -61.4 -36.5 -3.7 19.6 24.0 96 96 A K H 3X S+ 0 0 44 -4,-2.0 4,-0.6 1,-0.2 -1,-0.3 0.845 107.8 46.8 -62.9 -32.7 -7.2 20.0 25.5 97 97 A K H << S+ 0 0 106 -4,-0.8 3,-0.3 -3,-0.5 -1,-0.2 0.882 112.7 50.0 -75.6 -37.8 -5.6 19.9 28.9 98 98 A I H >< S+ 0 0 7 -4,-2.1 3,-1.7 1,-0.2 4,-0.3 0.940 109.0 49.4 -64.9 -49.6 -2.8 22.3 27.9 99 99 A V H 3< S+ 0 0 4 -4,-2.8 3,-0.3 1,-0.3 5,-0.3 0.662 109.3 53.7 -67.2 -15.7 -5.1 25.0 26.5 100 100 A S T 3< S+ 0 0 43 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.445 83.8 94.1 -95.0 -2.2 -7.3 24.8 29.6 101 101 A D S < S- 0 0 114 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.756 106.7 -93.6 -62.4 -29.6 -4.2 25.5 31.8 102 102 A G S S+ 0 0 63 -3,-0.3 3,-0.1 -4,-0.3 -3,-0.1 -0.043 113.0 66.6 144.0 -41.5 -4.7 29.2 31.9 103 103 A N S > S- 0 0 122 1,-0.3 3,-1.6 -5,-0.3 -4,-0.1 0.327 85.1-149.2 -92.8 7.2 -2.7 30.9 29.1 104 104 A G G > - 0 0 9 -5,-0.3 3,-1.3 1,-0.2 -1,-0.3 -0.275 64.9 -18.8 60.7-145.4 -4.8 29.4 26.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.495 116.2 90.9 -74.9 -2.0 -3.1 28.8 23.1 106 106 A N G < + 0 0 40 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.658 68.5 80.2 -66.0 -12.3 -0.3 31.2 24.0 107 107 A A G < S+ 0 0 55 -3,-1.3 2,-0.7 1,-0.1 -1,-0.3 0.781 82.1 71.9 -63.1 -26.6 1.3 28.0 25.4 108 108 A W S <> S- 0 0 11 -3,-2.0 4,-2.2 1,-0.2 3,-0.2 -0.837 72.5-159.7 -95.3 113.0 2.3 27.3 21.9 109 109 A V H > S+ 0 0 80 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.878 90.8 52.7 -58.7 -41.4 5.1 29.7 20.8 110 110 A A H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.860 109.1 49.9 -65.3 -35.9 4.4 29.2 17.1 111 111 A W H >>S+ 0 0 12 -6,-0.2 5,-3.4 3,-0.2 4,-2.2 0.939 111.9 47.7 -66.9 -46.5 0.7 30.0 17.5 112 112 A R H <5S+ 0 0 97 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.893 121.6 35.3 -61.8 -40.9 1.5 33.2 19.4 113 113 A N H <5S+ 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.684 133.7 21.1 -89.7 -18.5 4.0 34.4 16.9 114 114 A R H <5S+ 0 0 143 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.563 130.5 28.0-127.8 -11.1 2.6 33.2 13.7 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.2 -5,-0.4 -3,-0.2 0.733 86.3 99.3-117.7 -44.5 -1.2 32.6 14.1 116 116 A K T 3 + 0 0 113 -2,-0.2 3,-1.3 1,-0.2 4,-0.2 -0.547 54.6 167.1 -80.6 79.2 -6.7 35.3 9.3 120 120 A V G > + 0 0 16 -2,-2.0 3,-1.9 1,-0.3 4,-0.2 0.693 63.7 75.5 -68.8 -19.8 -6.7 31.8 10.7 121 121 A Q G > S+ 0 0 110 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.803 81.5 73.2 -62.5 -24.9 -9.9 30.9 8.9 122 122 A A G X S+ 0 0 22 -3,-1.3 3,-0.7 1,-0.3 -1,-0.3 0.741 83.8 68.1 -60.9 -22.0 -7.8 30.8 5.8 123 123 A W G < S+ 0 0 50 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.657 105.2 38.7 -74.8 -14.4 -6.3 27.5 7.1 124 124 A I G X S+ 0 0 33 -3,-1.8 3,-1.5 -4,-0.2 -1,-0.2 0.291 85.8 130.9-116.0 9.0 -9.6 25.6 6.6 125 125 A R T < S+ 0 0 133 -3,-0.7 3,-0.1 -4,-0.4 -119,-0.1 -0.300 74.2 14.6 -63.1 143.9 -10.7 27.2 3.3 126 126 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -120,-0.0 2,-0.2 0.451 96.5 132.4 71.8 -0.7 -11.7 24.9 0.6 127 127 A a < - 0 0 22 -3,-1.5 2,-1.2 1,-0.1 -1,-0.2 -0.597 62.1-128.3 -85.9 145.9 -12.0 22.0 3.0 128 128 A R 0 0 239 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.787 360.0 360.0 -92.5 95.4 -15.0 19.7 3.2 129 129 A L 0 0 102 -2,-1.2 -1,-0.2 -5,-0.1 -5,-0.0 0.782 360.0 360.0-109.0 360.0 -15.8 20.0 6.9