==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-98 1HSX . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR N.SUKUMAR,B.K.BISWAL,M.VIJAYAN . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 20.2 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 . 5 3.9 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,-2.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 141.1 41.9 -6.3 21.3 2 2 A V B -A 39 0A 96 37,-0.2 2,-0.3 38,-0.1 37,-0.2 -0.972 360.0-148.1-106.0 117.8 40.9 -4.4 18.1 3 3 A F - 0 0 13 35,-2.7 2,-0.3 -2,-0.6 3,-0.0 -0.659 8.9-128.2 -83.5 149.0 37.5 -5.7 17.0 4 4 A G > - 0 0 37 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.678 33.2-105.4 -89.4 152.6 36.6 -5.7 13.3 5 5 A R H > S+ 0 0 89 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.849 117.2 38.3 -44.6 -55.2 33.2 -4.1 12.5 6 6 A a H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.826 111.6 58.0 -69.5 -34.4 31.2 -7.2 11.9 7 7 A E H > S+ 0 0 95 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.860 110.7 44.5 -61.6 -39.2 32.8 -9.2 14.7 8 8 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.894 109.0 55.4 -72.7 -41.4 31.7 -6.5 17.2 9 9 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.932 109.4 48.2 -58.1 -43.3 28.2 -6.3 15.8 10 10 A A H X S+ 0 0 39 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.869 112.9 47.4 -60.9 -46.8 27.9 -10.1 16.3 11 11 A A H X S+ 0 0 3 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.897 111.4 48.9 -65.0 -46.1 29.2 -9.9 19.9 12 12 A M H <>S+ 0 0 1 -4,-2.9 5,-2.3 2,-0.2 6,-0.3 0.870 111.4 51.7 -62.6 -37.2 26.9 -6.9 20.9 13 13 A K H ><5S+ 0 0 87 -4,-2.0 3,-1.9 -5,-0.3 5,-0.2 0.935 108.3 49.9 -62.6 -52.7 23.9 -8.7 19.5 14 14 A R H 3<5S+ 0 0 178 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 109.0 54.3 -56.9 -29.5 24.7 -11.9 21.5 15 15 A H T 3<5S- 0 0 40 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.321 121.7-108.2 -88.1 6.8 24.9 -9.6 24.6 16 16 A G T < 5S+ 0 0 38 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.682 78.9 127.5 75.8 25.8 21.4 -8.2 24.0 17 17 A L > < + 0 0 0 -5,-2.3 3,-1.8 2,-0.1 2,-0.8 0.676 35.2 110.4 -85.1 -17.0 22.1 -4.6 22.8 18 18 A D T 3 S- 0 0 62 -6,-0.3 6,-0.3 1,-0.3 3,-0.1 -0.457 104.6 -11.1 -64.5 109.0 20.1 -4.8 19.6 19 19 A N T > S+ 0 0 100 4,-2.6 3,-2.1 -2,-0.8 -1,-0.3 0.540 90.9 163.7 77.8 8.7 17.1 -2.4 20.3 20 20 A Y B X S-B 23 0B 61 -3,-1.8 3,-1.5 3,-0.7 -1,-0.3 -0.438 76.5 -8.3 -58.8 124.6 18.0 -2.2 24.0 21 21 A R T 3 S- 0 0 153 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.718 137.6 -51.0 56.8 22.3 16.1 0.8 25.4 22 22 A G T < S+ 0 0 69 -3,-2.1 2,-0.6 1,-0.2 -1,-0.3 0.563 108.5 121.2 95.3 11.7 15.1 1.7 21.9 23 23 A Y B < -B 20 0B 50 -3,-1.5 -4,-2.6 -6,-0.2 -3,-0.7 -0.938 54.5-138.4-116.4 115.8 18.5 1.7 20.2 24 24 A S >> - 0 0 43 -2,-0.6 3,-2.0 -5,-0.3 4,-0.7 -0.344 34.2 -99.7 -63.6 154.0 19.1 -0.6 17.2 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.746 118.0 65.9 -44.7 -40.1 22.4 -2.5 17.0 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.811 94.2 58.5 -57.0 -35.4 23.9 -0.0 14.6 27 27 A N H <> S+ 0 0 18 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.933 107.9 47.0 -58.3 -46.6 23.8 2.8 17.1 28 28 A W H X S+ 0 0 0 -4,-0.7 4,-2.1 -3,-0.3 -2,-0.2 0.850 113.5 46.5 -63.1 -42.8 26.1 0.7 19.5 29 29 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.909 113.7 50.1 -69.1 -38.1 28.5 -0.2 16.7 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.905 109.2 50.4 -67.0 -39.7 28.6 3.4 15.6 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.945 110.1 51.0 -65.6 -41.3 29.3 4.6 19.1 32 32 A A H X>S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 6,-1.5 0.862 107.2 54.4 -64.3 -34.8 32.1 2.2 19.6 33 33 A K H X5S+ 0 0 68 -4,-1.9 4,-1.1 4,-0.3 -1,-0.2 0.956 117.2 33.7 -63.7 -51.2 33.7 3.3 16.3 34 34 A F H <5S+ 0 0 65 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.695 120.5 50.9 -82.4 -15.5 33.9 7.0 17.2 35 35 A E H <5S- 0 0 38 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.955 139.4 -9.7 -84.5 -52.1 34.5 6.4 20.9 36 36 A S H ><5S- 0 0 11 -4,-2.1 3,-1.1 19,-0.5 -3,-0.2 0.343 84.7-116.3-129.3 -1.6 37.4 4.0 20.8 37 37 A N T 3< - 0 0 54 4,-2.7 3,-1.6 -2,-0.3 -2,-0.0 -0.741 30.3-104.6-116.5 167.4 40.1 14.4 31.2 47 47 A T T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.774 115.5 60.4 -61.8 -28.6 40.6 17.8 32.8 48 48 A D T 3 S- 0 0 64 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.308 120.5-102.8 -83.8 5.7 38.5 16.8 35.9 49 49 A G S < S+ 0 0 17 -3,-1.6 -2,-0.1 1,-0.3 2,-0.1 0.342 84.4 121.6 93.8 -11.1 40.9 13.9 36.8 50 50 A S - 0 0 0 19,-0.1 -4,-2.7 20,-0.1 2,-0.3 -0.405 49.1-146.3 -81.1 167.2 38.6 11.2 35.4 51 51 A T E -C 45 0C 2 -6,-0.2 9,-2.4 -2,-0.1 2,-0.4 -0.973 9.5-131.6-133.3 146.5 39.5 8.7 32.7 52 52 A D E -CD 44 59C 25 -8,-2.9 -8,-1.6 -2,-0.3 2,-0.4 -0.848 30.4-152.5 -97.7 134.0 37.4 7.1 30.0 53 53 A Y E > -CD 43 58C 27 5,-2.2 5,-2.0 -2,-0.4 3,-0.4 -0.931 30.6 -29.0-122.3 137.5 37.9 3.3 29.7 54 54 A G T > 5S- 0 0 0 -12,-2.2 3,-1.4 -2,-0.4 -13,-0.2 -0.149 98.2 -27.1 74.8-165.9 37.6 0.7 27.1 55 55 A I T 3 5S+ 0 0 2 28,-0.4 -19,-0.5 1,-0.3 -17,-0.3 0.763 141.6 36.6 -58.9 -31.0 35.5 0.1 23.9 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.291 106.2-125.7-107.6 10.4 32.6 2.3 25.1 57 57 A Q T < 5 - 0 0 20 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.865 33.7-166.2 46.4 55.7 34.9 4.9 26.9 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-2.2 -6,-0.2 2,-0.3 -0.539 17.2-121.2 -77.8 124.0 33.1 4.7 30.3 59 59 A N E >> -D 52 0C 28 -2,-0.3 4,-2.1 -7,-0.3 5,-0.8 -0.518 4.7-144.8 -75.2 130.8 34.1 7.4 32.7 60 60 A S T 45S+ 0 0 0 -9,-2.4 14,-0.3 -2,-0.3 6,-0.3 0.529 91.3 70.4 -69.5 -11.4 35.6 6.8 36.1 61 61 A R T 45S+ 0 0 93 11,-0.2 12,-2.2 -10,-0.2 13,-0.3 0.933 119.8 7.4 -77.0 -39.9 33.8 9.7 37.8 62 62 A W T 45S+ 0 0 99 -3,-0.5 13,-2.9 10,-0.2 -2,-0.2 0.779 133.7 34.4-110.5 -27.0 30.3 8.2 37.7 63 63 A W T <5S+ 0 0 35 -4,-2.1 13,-1.9 11,-0.3 15,-0.4 0.829 109.3 18.8-106.8 -37.5 30.6 4.6 36.5 64 64 A c < - 0 0 0 -5,-0.8 2,-0.6 11,-0.1 10,-0.4 -0.901 68.6-117.2-133.1 163.0 33.6 2.6 37.4 65 65 A N B +e 79 0D 69 13,-2.4 15,-2.2 -2,-0.3 16,-0.3 -0.900 31.2 165.0-106.6 124.4 36.2 2.9 40.1 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.0 0.339 48.9-124.6-112.0 1.9 39.9 3.5 39.2 67 67 A G S S+ 0 0 64 -7,-0.1 -2,-0.1 2,-0.1 5,-0.0 0.285 97.1 70.5 76.9 -10.6 41.0 4.6 42.7 68 68 A R + 0 0 122 -19,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.254 68.7 102.4-121.2 12.8 42.5 7.8 41.5 69 69 A T > - 0 0 13 -9,-0.1 3,-1.5 -18,-0.0 2,-0.4 -0.860 65.4-134.8-104.8 118.1 39.4 10.0 40.5 70 70 A P T 3 S+ 0 0 92 0, 0.0 -20,-0.1 0, 0.0 -2,-0.0 -0.532 92.4 22.4 -70.7 122.7 38.2 12.7 42.9 71 71 A G T 3 S+ 0 0 53 -2,-0.4 -21,-0.0 1,-0.2 -10,-0.0 0.494 83.6 174.6 100.4 6.5 34.4 12.5 43.3 72 72 A S < + 0 0 41 -3,-1.5 -10,-0.2 1,-0.1 -1,-0.2 -0.110 18.2 176.6 -50.0 129.4 34.0 8.9 42.2 73 73 A R - 0 0 160 -12,-2.2 -11,-0.2 -13,-0.2 -1,-0.1 0.646 20.2-154.9-107.6 -21.8 30.5 7.4 42.4 74 74 A N > + 0 0 38 -10,-0.4 3,-1.1 -14,-0.3 -11,-0.3 0.880 23.3 170.1 43.7 58.8 31.1 3.9 40.9 75 75 A L T 3 S+ 0 0 99 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.543 75.2 49.5 -75.0 -13.9 27.4 3.4 39.8 76 76 A d T 3 S- 0 0 13 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.456 104.8-133.9 -97.0 -7.6 28.2 0.2 37.7 77 77 A N < + 0 0 132 -3,-1.1 -13,-0.1 -14,-0.2 -2,-0.1 0.929 61.8 118.4 53.5 60.7 30.0 -1.2 40.8 78 78 A I S S- 0 0 50 -15,-0.4 -13,-2.4 16,-0.0 2,-0.3 -0.987 70.6-106.0-154.1 144.6 33.0 -2.4 38.8 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.636 31.9-127.2 -71.4 140.8 36.8 -1.7 38.7 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-1.3 -2,-0.3 -14,-0.1 0.835 106.8 65.4 -57.1 -30.4 37.7 0.4 35.6 81 81 A S G > S+ 0 0 88 -16,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.723 89.2 65.2 -64.0 -26.8 40.3 -2.3 34.7 82 82 A A G X S+ 0 0 31 -3,-1.4 3,-0.8 1,-0.2 8,-0.3 0.737 95.3 61.0 -65.5 -22.6 37.6 -4.9 34.0 83 83 A L G < S+ 0 0 1 -3,-1.3 -28,-0.4 -4,-0.5 -1,-0.2 0.371 93.5 63.6 -83.4 -1.0 36.4 -2.6 31.2 84 84 A L G < S+ 0 0 45 -3,-1.3 -1,-0.2 -30,-0.1 -2,-0.1 0.206 79.2 119.1-108.0 12.0 39.8 -3.0 29.3 85 85 A S S < S- 0 0 55 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.322 74.7-125.6 -74.5 158.6 39.3 -6.7 28.9 86 86 A S S S+ 0 0 61 -45,-0.0 2,-0.5 -2,-0.0 -1,-0.1 0.681 99.1 78.9 -74.2 -21.2 39.1 -8.3 25.4 87 87 A D S S- 0 0 96 1,-0.1 3,-0.4 -47,-0.0 4,-0.3 -0.818 73.8-156.1 -86.9 119.5 35.7 -9.8 26.6 88 88 A I > + 0 0 6 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.464 65.6 102.6 -82.1 -2.3 33.1 -7.0 26.2 89 89 A T H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 80.6 46.5 -45.7 -57.5 30.7 -8.4 28.8 90 90 A A H > S+ 0 0 25 -3,-0.4 4,-1.8 -8,-0.3 -1,-0.2 0.868 115.0 48.3 -58.3 -38.8 31.6 -6.0 31.7 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.5 -9,-0.2 -1,-0.2 0.881 112.5 47.9 -67.4 -41.7 31.5 -3.0 29.3 92 92 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.929 110.8 51.4 -65.7 -45.1 28.1 -4.1 27.9 93 93 A N H X S+ 0 0 70 -4,-2.9 4,-0.9 -5,-0.2 -2,-0.2 0.896 114.8 42.5 -59.9 -40.0 26.6 -4.7 31.4 94 94 A d H >X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.2 3,-0.6 0.901 110.2 56.1 -73.8 -40.2 27.7 -1.2 32.5 95 95 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.867 103.2 57.4 -57.6 -38.4 26.5 0.4 29.2 96 96 A K H 3X S+ 0 0 45 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.857 108.3 45.5 -59.7 -37.8 23.1 -1.1 29.9 97 97 A K H << S+ 0 0 98 -4,-0.9 3,-0.5 -3,-0.6 4,-0.4 0.888 111.9 52.1 -73.2 -41.6 23.0 0.8 33.3 98 98 A I H >< S+ 0 0 6 -4,-2.4 3,-1.3 1,-0.2 5,-0.4 0.929 109.1 47.9 -61.3 -46.9 24.2 4.0 31.7 99 99 A V H 3<>S+ 0 0 6 -4,-2.6 5,-0.5 1,-0.3 3,-0.5 0.667 105.4 59.0 -69.1 -18.9 21.6 4.1 29.0 100 100 A S T 3<5S+ 0 0 46 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.541 82.0 94.9 -83.8 -4.9 18.8 3.4 31.4 101 101 A D T < 5S- 0 0 112 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.313 106.5 -98.9 -73.7 7.9 19.8 6.6 33.3 102 102 A G T 5S+ 0 0 74 -3,-0.5 -1,-0.1 1,-0.0 -3,-0.1 0.315 111.3 74.1 98.0 -15.3 17.3 8.8 31.6 103 103 A N T > 5S- 0 0 104 -5,-0.4 3,-2.0 1,-0.3 4,-0.1 0.244 80.8-152.5-116.8 14.5 19.5 10.5 28.9 104 104 A G G > < - 0 0 12 -5,-0.5 3,-1.0 1,-0.2 -1,-0.3 -0.207 65.7 -19.9 51.3-138.9 19.7 7.5 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.1 7,-0.2 0.377 111.0 97.0 -84.7 8.3 22.8 7.3 24.4 106 106 A N G < + 0 0 41 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.636 64.8 83.8 -69.4 -9.7 23.5 11.0 24.8 107 107 A A G < S+ 0 0 50 -3,-1.0 2,-0.7 1,-0.1 -1,-0.3 0.699 83.0 65.9 -60.9 -24.3 25.8 9.7 27.5 108 108 A W S <> S- 0 0 8 -3,-1.9 4,-2.4 1,-0.1 3,-0.5 -0.895 70.6-162.5-106.6 108.2 28.3 9.2 24.7 109 109 A V H > S+ 0 0 69 -2,-0.7 4,-3.1 1,-0.2 5,-0.2 0.865 91.3 52.6 -55.8 -39.8 29.5 12.5 23.1 110 110 A A H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.842 110.0 48.5 -66.7 -34.8 30.8 10.7 19.9 111 111 A W H >>S+ 0 0 14 -3,-0.5 5,-2.5 2,-0.2 4,-2.4 0.931 114.0 47.7 -66.6 -45.8 27.5 9.0 19.5 112 112 A R H <5S+ 0 0 104 -4,-2.4 -2,-0.2 -7,-0.2 -1,-0.2 0.911 120.3 37.2 -57.1 -49.3 25.8 12.3 20.0 113 113 A N H <5S+ 0 0 122 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.821 133.2 18.7 -77.5 -36.3 28.1 14.1 17.5 114 114 A R H <5S+ 0 0 141 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.558 126.9 33.8-117.2 -11.8 28.6 11.4 14.8 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.1 -5,-0.4 -3,-0.2 0.752 82.5 98.2-113.1 -40.9 25.8 8.8 15.0 116 116 A K T 3 + 0 0 91 1,-0.2 3,-1.5 -2,-0.2 4,-0.2 -0.635 51.5 174.0 -84.0 84.0 21.9 5.9 8.8 120 120 A V G > + 0 0 16 -2,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.675 67.7 77.5 -66.9 -17.3 23.4 3.9 11.6 121 121 A Q G >> S+ 0 0 110 1,-0.3 3,-1.7 2,-0.2 4,-1.0 0.706 75.4 77.4 -64.5 -20.3 22.3 0.7 9.8 122 122 A A G X4 S+ 0 0 43 -3,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.881 84.7 65.3 -53.8 -37.0 25.3 1.2 7.6 123 123 A W G <4 S+ 0 0 51 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.623 108.2 35.3 -65.4 -17.1 27.3 -0.2 10.5 124 124 A I G X4 S+ 0 0 34 -3,-1.7 3,-1.6 -4,-0.2 -1,-0.2 0.450 88.1 113.0-115.9 -5.3 25.8 -3.6 10.3 125 125 A R T << S+ 0 0 128 -4,-1.0 3,-0.1 -3,-0.7 -119,-0.0 -0.466 78.7 27.9 -70.8 135.8 25.3 -4.0 6.5 126 126 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.292 97.1 116.8 96.9 -7.0 27.5 -6.7 5.0 127 127 A a < - 0 0 25 -3,-1.6 2,-1.0 -122,-0.0 -1,-0.3 -0.649 65.6-133.9 -97.0 147.3 27.6 -8.7 8.3 128 128 A R 0 0 238 -2,-0.3 -3,-0.0 1,-0.1 -118,-0.0 -0.831 360.0 360.0 -98.7 93.4 26.3 -12.2 8.8 129 129 A L 0 0 100 -2,-1.0 -1,-0.1 -5,-0.1 -119,-0.0 0.720 360.0 360.0-102.8 360.0 24.4 -11.7 12.1