==== 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(O-GLYCOSYL) 05-JUL-94 1LSA . COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR I.KURINOV,R.W.HARRISON . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 7 5.4 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 . 35 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 0 2 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 79 0, 0.0 39,-3.1 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 130.2 1.0 9.6 9.1 2 2 A V B -A 39 0A 103 37,-0.3 37,-0.2 38,-0.1 2,-0.2 -0.897 360.0-148.9 -99.5 105.2 1.1 13.0 7.2 3 3 A F - 0 0 14 35,-3.1 2,-0.2 -2,-0.8 3,-0.0 -0.555 10.1-125.4 -68.7 138.8 -2.4 14.4 7.4 4 4 A G > - 0 0 37 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.494 33.5-107.4 -70.6 158.2 -3.7 16.5 4.6 5 5 A R H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.954 118.6 35.8 -54.1 -56.2 -5.1 19.9 5.9 6 6 A a H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.838 114.5 59.0 -68.8 -34.3 -8.8 19.2 5.5 7 7 A E H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.953 110.3 41.9 -60.2 -42.3 -8.2 15.6 6.4 8 8 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.942 111.2 55.3 -71.5 -40.4 -6.8 16.8 9.8 9 9 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.912 108.7 49.6 -52.3 -42.8 -9.5 19.4 10.2 10 10 A A H X S+ 0 0 59 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.938 111.4 48.6 -59.0 -50.8 -12.1 16.5 9.8 11 11 A A H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.920 112.4 46.2 -55.2 -52.2 -10.3 14.4 12.4 12 12 A M H <>S+ 0 0 4 -4,-2.7 5,-2.8 2,-0.2 6,-0.3 0.884 112.4 50.5 -64.8 -41.5 -10.0 17.2 15.0 13 13 A K H ><5S+ 0 0 92 -4,-2.4 3,-2.3 -5,-0.3 -2,-0.2 0.971 109.1 51.7 -58.0 -51.6 -13.7 18.3 14.6 14 14 A R H 3<5S+ 0 0 177 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 109.7 49.8 -56.0 -34.8 -14.8 14.6 15.0 15 15 A H T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.495 124.3-107.3 -82.9 -0.2 -12.8 14.4 18.2 16 16 A G T < 5S+ 0 0 30 -3,-2.3 -3,-0.2 -4,-0.3 -2,-0.1 0.790 78.4 130.2 88.6 24.6 -14.4 17.6 19.4 17 17 A L > < + 0 0 0 -5,-2.8 3,-1.9 2,-0.1 2,-0.4 0.706 38.2 108.3 -83.2 -18.3 -11.7 20.2 19.2 18 18 A D T 3 S- 0 0 49 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.402 105.1 -9.1 -59.2 113.2 -13.8 22.8 17.2 19 19 A N T > S+ 0 0 113 4,-1.4 3,-1.9 -2,-0.4 -1,-0.3 0.601 90.8 160.8 63.2 14.5 -14.6 25.5 19.7 20 20 A Y B X S-B 23 0B 75 -3,-1.9 3,-2.0 3,-0.6 -1,-0.2 -0.464 80.8 -3.5 -61.9 128.3 -13.1 23.4 22.6 21 21 A R T 3 S- 0 0 140 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.824 135.9 -59.9 51.0 32.6 -12.3 26.0 25.4 22 22 A G T < S+ 0 0 69 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.440 104.7 131.0 83.4 0.3 -13.5 28.7 22.9 23 23 A Y B < -B 20 0B 47 -3,-2.0 -4,-1.4 -6,-0.1 -3,-0.6 -0.741 52.2-134.5 -89.3 111.5 -10.8 27.9 20.2 24 24 A S >> - 0 0 23 -2,-0.7 3,-1.9 -5,-0.2 4,-1.0 -0.259 27.3-105.2 -55.5 147.7 -12.2 27.4 16.6 25 25 A L H 3> S+ 0 0 18 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.827 120.6 63.9 -42.7 -38.6 -11.0 24.5 14.4 26 26 A G H 3> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.890 98.7 54.5 -54.5 -41.9 -8.8 27.0 12.4 27 27 A N H <> S+ 0 0 22 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.953 111.3 43.5 -56.3 -50.8 -6.8 27.6 15.6 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.820 113.8 49.4 -65.4 -37.1 -6.1 23.9 16.1 29 29 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.958 111.3 51.0 -68.5 -41.7 -5.3 23.2 12.4 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.921 109.6 49.0 -60.5 -48.0 -2.9 26.3 12.4 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.949 110.6 51.0 -56.7 -50.3 -1.1 25.0 15.5 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 6,-1.2 0.918 107.2 54.4 -55.8 -44.2 -0.7 21.5 13.9 33 33 A K H X5S+ 0 0 63 -4,-2.5 4,-1.2 4,-0.3 -1,-0.2 0.942 117.9 33.4 -52.5 -53.5 0.8 22.9 10.7 34 34 A F H <5S+ 0 0 57 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.717 122.0 48.4 -83.2 -19.9 3.6 24.9 12.5 35 35 A E H <5S- 0 0 34 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.899 140.7 -7.8 -78.1 -44.8 4.1 22.4 15.3 36 36 A S H ><5S- 0 0 11 -4,-2.6 3,-1.7 19,-0.4 -3,-0.2 0.414 82.5-119.3-133.6 -1.8 4.4 19.2 13.3 37 37 A N T 3< - 0 0 45 4,-3.2 3,-1.5 -2,-0.2 -1,-0.1 -0.487 26.5-106.1 -82.9 162.7 13.6 20.8 23.8 47 47 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.816 114.8 57.4 -59.1 -33.3 16.5 22.7 25.5 48 48 A D T 3 S- 0 0 77 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.189 123.9 -96.6 -83.8 9.3 15.7 21.5 29.0 49 49 A G S < S+ 0 0 38 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.219 89.6 114.3 95.0 -15.2 16.0 17.9 28.1 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.187 54.4-137.8 -76.6 173.1 12.3 17.1 27.5 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.8 -3,-0.1 2,-0.4 -0.990 2.9-131.9-133.2 152.1 10.9 16.2 24.1 52 52 A D E -CD 44 59C 22 -8,-2.6 -8,-1.7 -2,-0.4 2,-0.4 -0.844 25.3-157.4-110.1 135.1 7.8 17.1 22.1 53 53 A Y E > -CD 43 58C 21 5,-1.6 5,-2.5 -2,-0.4 3,-0.4 -0.942 31.3 -25.7-122.2 134.9 5.7 14.5 20.4 54 54 A G T > 5S- 0 0 0 -12,-2.6 3,-1.6 -2,-0.4 30,-0.2 -0.127 98.4 -19.3 84.0-162.5 3.2 14.2 17.6 55 55 A I T 3 5S+ 0 0 5 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.816 141.8 28.4 -57.0 -30.1 0.8 16.3 15.6 56 56 A L T 3 5S- 0 0 3 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.082 107.1-118.6-123.5 22.9 0.6 19.0 18.4 57 57 A Q T < 5 - 0 0 8 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.880 35.7-160.4 40.3 59.5 4.1 18.5 19.9 58 58 A I E < -D 53 0C 1 -5,-2.5 -5,-1.6 25,-0.1 2,-0.3 -0.599 17.6-116.7 -77.6 124.8 3.0 17.5 23.4 59 59 A N E >>> -D 52 0C 42 -2,-0.4 4,-2.2 -7,-0.2 5,-0.9 -0.408 10.5-151.8 -71.6 129.7 5.7 17.9 25.9 60 60 A S T 345S+ 0 0 1 -9,-2.8 6,-0.2 -2,-0.3 13,-0.2 0.555 89.1 75.1 -72.3 -5.8 7.3 15.2 27.9 61 61 A R T 345S- 0 0 56 -10,-0.2 12,-2.1 11,-0.2 -1,-0.2 0.842 122.2 -2.3 -75.2 -33.0 8.1 17.6 30.9 62 62 A W T <45S+ 0 0 139 -3,-0.8 13,-2.9 10,-0.2 -2,-0.2 0.640 131.4 42.7-125.0 -34.5 4.5 17.6 32.0 63 63 A W T <5S+ 0 0 26 -4,-2.2 13,-2.0 11,-0.3 15,-0.4 0.796 105.6 20.6-106.0 -29.7 2.0 15.6 29.8 64 64 A c < - 0 0 0 -5,-0.9 2,-0.6 9,-0.3 11,-0.1 -0.920 69.7-113.0-135.0 161.7 3.3 12.2 28.7 65 65 A N B +e 79 0D 86 13,-2.8 15,-2.4 -2,-0.3 16,-0.4 -0.876 36.0 156.8-101.0 123.1 6.0 9.7 29.8 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.137 53.3-124.1-116.3 6.8 9.0 9.0 27.6 67 67 A G S S+ 0 0 63 1,-0.1 -2,-0.1 2,-0.1 -7,-0.0 0.577 94.8 76.8 63.6 6.1 11.3 7.7 30.5 68 68 A R + 0 0 130 1,-0.1 -1,-0.1 2,-0.1 -8,-0.0 0.013 64.9 91.4-134.3 30.1 14.1 10.2 29.8 69 69 A T > - 0 0 14 -9,-0.1 3,-1.4 -19,-0.0 -2,-0.1 -0.821 69.2-141.1-125.0 88.8 12.8 13.5 31.2 70 70 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.112 80.7 13.6 -37.6 136.1 14.0 14.0 34.8 71 71 A G T 3 S+ 0 0 90 1,-0.2 -10,-0.0 0, 0.0 0, 0.0 0.305 100.5 151.7 81.3 -16.4 11.6 15.6 37.3 72 72 A S < - 0 0 36 -3,-1.4 2,-0.3 1,-0.1 -10,-0.2 0.265 40.5-138.1 -47.3 161.4 8.7 15.1 34.9 73 73 A R - 0 0 123 -12,-2.1 -9,-0.3 -13,-0.2 2,-0.1 -0.838 7.6-160.7-120.2 158.5 5.1 14.7 34.9 74 74 A N > + 0 0 33 -2,-0.3 3,-1.0 -11,-0.2 -11,-0.3 -0.635 27.9 159.2-131.6 62.8 2.8 12.5 32.9 75 75 A L T 3 S+ 0 0 74 -13,-2.9 -12,-0.2 1,-0.2 -11,-0.1 0.775 75.4 52.5 -65.0 -24.7 -0.5 14.4 33.4 76 76 A d T 3 S- 0 0 19 -13,-2.0 -1,-0.2 -14,-0.1 -12,-0.1 0.535 106.9-134.5 -84.6 0.0 -2.2 12.9 30.3 77 77 A N < + 0 0 133 -3,-1.0 -13,-0.1 -14,-0.2 -2,-0.1 0.871 61.0 118.0 46.6 56.6 -1.1 9.6 31.8 78 78 A I S S- 0 0 28 -15,-0.4 -13,-2.8 12,-0.0 2,-0.3 -0.970 72.6 -99.7-144.0 146.9 0.1 8.2 28.6 79 79 A P B >> -e 65 0D 72 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.607 32.7-132.2 -63.4 135.4 3.3 6.9 26.9 80 80 A c G >4 S+ 0 0 1 -15,-2.4 3,-1.4 -2,-0.3 -14,-0.2 0.879 106.4 65.6 -60.3 -29.4 4.7 9.7 24.7 81 81 A S G >4 S+ 0 0 85 -16,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.849 90.6 64.7 -61.5 -30.3 5.0 7.1 21.9 82 82 A A G X4 S+ 0 0 33 -3,-1.5 3,-0.8 1,-0.3 9,-0.3 0.787 90.7 65.1 -69.3 -16.7 1.2 6.9 21.8 83 83 A L G << S+ 0 0 2 -3,-1.4 -28,-0.6 -4,-0.6 -1,-0.3 0.436 95.3 60.3 -78.7 3.2 1.1 10.5 20.7 84 84 A L G < S+ 0 0 41 -3,-1.7 -1,-0.2 -30,-0.2 -2,-0.2 0.434 78.3 117.2-111.8 -0.1 2.8 9.4 17.4 85 85 A S S < S- 0 0 56 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.182 75.8-119.2 -60.9 158.8 0.1 7.0 16.2 86 86 A S S S+ 0 0 77 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.640 102.4 75.6 -76.5 -16.8 -1.8 7.6 13.0 87 87 A D S > S- 0 0 88 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.867 72.4-159.8 -90.7 115.7 -5.0 7.8 15.1 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.6 1,-0.2 5,-0.3 0.457 59.3 108.3 -82.3 4.1 -4.9 11.2 16.8 89 89 A T H 3> S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.836 82.6 45.6 -47.6 -46.0 -7.4 10.4 19.7 90 90 A A H <> S+ 0 0 20 -3,-0.6 4,-2.3 -8,-0.2 -1,-0.2 0.899 111.6 50.1 -70.8 -47.6 -4.7 10.4 22.3 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.9 -9,-0.3 -2,-0.2 0.941 115.1 45.5 -53.8 -47.9 -3.1 13.6 21.1 92 92 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.939 111.9 50.1 -61.0 -48.8 -6.6 15.4 21.1 93 93 A N H X S+ 0 0 89 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.886 116.3 44.9 -55.6 -39.3 -7.6 13.9 24.6 94 94 A d H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.898 109.9 52.3 -73.7 -41.5 -4.2 15.2 25.8 95 95 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.894 104.6 58.5 -60.5 -34.6 -4.5 18.7 24.1 96 96 A K H X S+ 0 0 45 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.926 107.6 46.2 -61.3 -40.8 -7.9 19.1 25.8 97 97 A K H X S+ 0 0 103 -4,-1.1 4,-1.2 -5,-0.2 3,-0.4 0.953 113.1 49.5 -64.1 -45.7 -6.1 18.8 29.1 98 98 A I H >< S+ 0 0 7 -4,-2.3 3,-1.1 1,-0.2 5,-0.3 0.967 110.2 48.9 -60.1 -53.4 -3.3 21.2 28.1 99 99 A V H 3< S+ 0 0 0 -4,-3.0 5,-0.4 1,-0.3 3,-0.3 0.658 111.6 52.6 -58.6 -20.8 -5.8 24.1 26.8 100 100 A S H 3< S+ 0 0 33 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.769 81.6 92.4 -88.7 -18.2 -7.7 23.7 29.9 101 101 A D S << S- 0 0 114 -4,-1.2 -1,-0.1 -3,-1.1 -2,-0.1 0.571 109.9 -89.2 -47.7 -18.0 -4.6 24.1 32.2 102 102 A G S S+ 0 0 52 -3,-0.3 -1,-0.1 -4,-0.2 -3,-0.1 0.025 114.9 67.2 131.9 -36.7 -5.1 28.0 32.5 103 103 A N S > S- 0 0 121 -5,-0.3 3,-1.7 1,-0.3 -4,-0.1 0.261 83.4-147.2-100.5 17.5 -3.3 29.7 29.6 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.4 1,-0.2 -1,-0.3 -0.219 68.2 -16.0 53.2-135.6 -5.4 28.4 26.8 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 7,-0.4 0.476 114.7 91.9 -79.6 3.1 -3.6 27.8 23.5 106 106 A N G < + 0 0 49 -3,-1.7 -1,-0.3 1,-0.3 6,-0.2 0.786 67.5 79.1 -66.1 -24.0 -0.7 29.9 24.6 107 107 A A G < S+ 0 0 51 -3,-1.4 2,-1.0 1,-0.1 -1,-0.3 0.809 82.4 72.6 -50.1 -28.7 0.7 26.6 25.9 108 108 A W S X> S- 0 0 8 -3,-1.5 4,-2.4 1,-0.2 3,-0.7 -0.756 73.4-161.9 -94.2 104.1 1.7 26.0 22.2 109 109 A V H 3> S+ 0 0 89 -2,-1.0 4,-2.7 1,-0.3 5,-0.2 0.909 90.2 52.0 -44.3 -49.3 4.6 28.4 21.6 110 110 A A H 3> S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.745 106.9 52.1 -68.0 -29.1 4.1 28.1 17.9 111 111 A W H <>>S+ 0 0 12 -3,-0.7 5,-2.9 -6,-0.2 4,-2.4 0.963 110.3 48.3 -70.1 -52.2 0.4 29.0 18.1 112 112 A R H <5S+ 0 0 113 -4,-2.4 -2,-0.2 -7,-0.4 -3,-0.2 0.945 121.0 36.4 -52.7 -52.3 1.1 32.1 20.1 113 113 A N H <5S+ 0 0 105 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.802 133.3 20.6 -76.5 -26.1 3.8 33.3 17.7 114 114 A R H <5S+ 0 0 143 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.654 132.3 26.2-121.7 -9.5 2.4 32.2 14.3 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.4 -3,-0.2 0.757 85.1 99.0-119.2 -43.8 -1.3 31.7 14.7 116 116 A K T 3 + 0 0 92 1,-0.2 3,-1.5 -3,-0.1 4,-0.4 -0.494 55.2 169.4 -71.0 75.1 -7.1 34.7 10.0 120 120 A V G > + 0 0 11 -2,-2.3 3,-0.9 1,-0.3 4,-0.3 0.722 65.6 71.5 -72.9 -13.8 -7.1 31.1 11.4 121 121 A Q G >> S+ 0 0 74 1,-0.2 3,-1.8 -3,-0.2 4,-0.7 0.820 80.4 76.3 -71.1 -15.9 -10.3 30.2 9.5 122 122 A A G X4 S+ 0 0 29 -3,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.852 86.2 64.3 -52.4 -34.0 -8.1 30.3 6.3 123 123 A W G <4 S+ 0 0 51 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.719 105.0 41.1 -69.9 -23.0 -6.8 27.0 7.5 124 124 A I G X4 S+ 0 0 46 -3,-1.8 3,-2.1 -4,-0.3 -1,-0.3 0.468 85.2 136.0-103.0 7.8 -10.2 25.3 7.1 125 125 A R T << S+ 0 0 153 -3,-0.9 3,-0.1 -4,-0.7 -119,-0.1 -0.080 77.1 4.5 -55.6 128.4 -11.0 27.0 3.8 126 126 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -120,-0.0 2,-0.3 0.438 91.9 142.8 79.2 -5.8 -12.5 24.7 1.2 127 127 A a < - 0 0 21 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.0 -0.532 64.8 -86.0 -67.2 130.7 -12.6 21.8 3.6 128 128 A R 0 0 244 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.065 360.0 360.0 -56.3 123.3 -15.7 19.8 3.1 129 129 A L 0 0 202 -3,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.386 360.0 360.0-135.1 360.0 -18.7 20.8 4.8