==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-96 1UIC . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR H.MOTOSHIMA,T.OHMURA,T.UEDA,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 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 . 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,-0.8 0.000 360.0 360.0 360.0 135.6 2.7 10.8 9.2 2 2 A V B -A 39 0A 96 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.888 360.0-145.8 -97.4 109.0 2.7 14.1 7.4 3 3 A F - 0 0 14 35,-3.1 2,-0.2 -2,-0.8 3,-0.0 -0.406 6.5-125.6 -75.5 154.1 -0.8 15.4 7.3 4 4 A G > - 0 0 34 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.639 31.4-111.3 -90.2 156.4 -2.5 17.4 4.5 5 5 A R H > S+ 0 0 85 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.962 115.5 36.5 -53.2 -61.1 -4.1 20.6 5.7 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.830 115.1 56.8 -64.4 -33.6 -7.7 19.7 5.1 7 7 A E H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 110.8 44.0 -63.5 -42.4 -7.1 16.1 6.2 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.909 109.2 56.1 -67.8 -45.8 -5.7 17.5 9.6 9 9 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.935 109.6 47.1 -51.3 -47.6 -8.6 20.0 10.0 10 10 A A H X S+ 0 0 40 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.912 111.1 49.8 -63.7 -44.7 -11.1 17.2 9.7 11 11 A A H X S+ 0 0 30 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.886 113.5 46.8 -63.1 -37.7 -9.3 14.9 12.1 12 12 A M H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 6,-0.3 0.862 111.0 52.3 -70.8 -37.2 -9.1 17.7 14.7 13 13 A K H ><5S+ 0 0 78 -4,-2.3 3,-2.1 -5,-0.3 5,-0.2 0.958 109.9 47.4 -62.1 -51.1 -12.7 18.6 14.2 14 14 A R H 3<5S+ 0 0 224 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.9 58.3 -59.4 -32.6 -13.8 15.0 14.8 15 15 A A T 3<5S- 0 0 26 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.456 122.0-107.8 -78.4 -3.2 -11.6 15.0 17.9 16 16 A G T < 5S+ 0 0 37 -3,-2.1 -3,-0.2 -4,-0.1 -2,-0.1 0.747 81.5 124.9 84.6 26.0 -13.5 18.0 19.3 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.5 2,-0.1 2,-0.2 0.768 35.7 107.4 -88.0 -27.2 -11.0 20.8 18.8 18 18 A D T 3 S- 0 0 66 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.358 105.5 -9.3 -57.0 114.0 -13.2 23.2 16.8 19 19 A N T > S+ 0 0 94 4,-1.7 3,-2.2 -2,-0.2 -1,-0.3 0.571 89.2 161.4 69.7 15.1 -14.0 26.0 19.2 20 20 A Y B X S-B 23 0B 52 -3,-2.5 3,-2.0 3,-0.6 -1,-0.2 -0.493 80.6 -2.4 -67.1 126.8 -12.6 24.1 22.2 21 21 A R T 3 S- 0 0 142 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.764 135.9 -61.1 58.4 26.6 -12.0 26.8 24.9 22 22 A G T < S+ 0 0 61 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.503 103.0 132.3 83.0 5.0 -13.2 29.3 22.3 23 23 A Y B < -B 20 0B 48 -3,-2.0 -4,-1.7 -6,-0.2 -3,-0.6 -0.800 52.3-133.8 -97.7 115.0 -10.4 28.6 19.7 24 24 A S >> - 0 0 40 -2,-0.7 3,-1.6 -5,-0.2 4,-0.9 -0.188 26.7-106.7 -60.8 154.8 -11.7 28.1 16.2 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.776 117.0 66.2 -51.8 -37.0 -10.3 25.2 14.2 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.864 96.7 56.3 -56.6 -36.1 -8.2 27.5 12.0 27 27 A N H <> S+ 0 0 21 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.932 109.0 45.8 -61.2 -44.0 -6.2 28.4 15.1 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.858 113.5 47.9 -68.4 -39.5 -5.3 24.7 15.7 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.876 112.4 49.9 -70.5 -35.8 -4.4 24.0 12.1 30 30 A b H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.929 110.5 50.1 -66.5 -43.4 -2.2 27.1 12.0 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.902 110.9 48.0 -63.4 -42.6 -0.4 26.1 15.2 32 32 A A H X>S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 6,-1.1 0.917 109.4 55.1 -63.5 -43.7 0.3 22.5 13.9 33 33 A K H X5S+ 0 0 61 -4,-2.0 4,-1.1 4,-0.2 -2,-0.2 0.940 116.6 35.4 -52.7 -52.8 1.6 24.0 10.6 34 34 A F H <5S+ 0 0 61 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.716 120.1 48.7 -80.9 -18.1 4.1 26.2 12.4 35 35 A E H <5S- 0 0 38 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.919 138.0 -4.7 -86.8 -44.0 5.0 23.8 15.2 36 36 A S H ><5S- 0 0 11 -4,-2.8 3,-1.3 19,-0.4 -3,-0.2 0.383 86.0-116.3-130.3 -3.8 5.6 20.6 13.2 37 37 A N T 3< - 0 0 51 4,-3.5 3,-1.6 -2,-0.3 -1,-0.0 -0.614 25.4-109.6-107.1 163.9 15.3 22.5 24.0 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.821 115.0 62.9 -62.7 -32.4 18.2 24.0 25.9 48 48 A D T 3 S- 0 0 86 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.579 122.3-104.7 -69.0 -6.7 16.8 23.1 29.3 49 49 A G S < S+ 0 0 26 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.377 84.8 119.3 100.0 -6.8 17.1 19.4 28.3 50 50 A S - 0 0 0 19,-0.1 -4,-3.5 -5,-0.0 -1,-0.4 -0.417 51.8-142.0 -84.8 170.1 13.4 18.8 27.6 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -2,-0.1 2,-0.4 -0.964 5.2-132.6-135.9 147.2 12.1 17.8 24.1 52 52 A D E -CD 44 59C 27 -8,-3.2 -8,-1.6 -2,-0.3 2,-0.4 -0.875 27.4-157.6 -99.8 138.4 9.0 18.8 22.2 53 53 A Y E > -CD 43 58C 24 5,-2.3 5,-2.1 -2,-0.4 3,-0.4 -0.917 31.3 -19.7-126.7 140.1 7.0 16.0 20.5 54 54 A G T > 5S- 0 0 0 -12,-1.9 3,-1.9 -2,-0.4 30,-0.2 -0.003 97.3 -28.0 76.9-173.5 4.6 15.6 17.7 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.774 141.3 34.4 -52.1 -35.2 2.2 17.5 15.6 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.271 105.5-124.2-109.5 11.9 1.7 20.1 18.4 57 57 A Q T < 5 - 0 0 13 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.886 34.3-166.3 46.6 54.4 5.2 20.0 19.9 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.3 -6,-0.1 2,-0.3 -0.514 18.2-120.4 -74.0 131.5 4.1 19.1 23.4 59 59 A N E >>> -D 52 0C 27 -2,-0.3 4,-2.0 -7,-0.2 3,-0.8 -0.565 6.8-146.4 -83.5 138.6 7.0 19.5 25.9 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.4 -2,-0.3 6,-0.2 0.626 90.3 77.1 -73.2 -16.0 8.4 16.8 28.1 61 61 A R T 345S+ 0 0 42 -10,-0.2 12,-1.5 11,-0.2 -1,-0.2 0.847 120.4 0.0 -64.6 -29.9 9.1 19.2 31.0 62 62 A W T <45S+ 0 0 127 -3,-0.8 13,-3.2 10,-0.3 -2,-0.2 0.713 130.9 41.2-128.1 -37.2 5.4 19.2 32.0 63 63 A W T <5S+ 0 0 27 -4,-2.0 13,-2.1 11,-0.3 15,-0.4 0.787 106.2 21.0 -97.8 -31.8 3.2 17.0 29.9 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 11,-0.1 10,-0.5 -0.885 68.3-114.6-137.1 167.0 4.6 13.7 28.9 65 65 A N B +e 79 0D 76 13,-2.9 15,-2.3 -2,-0.3 16,-0.4 -0.915 33.1 160.4-108.6 124.2 7.3 11.3 30.1 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.243 52.0-123.4-117.4 3.0 10.4 10.6 27.9 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.498 96.7 73.9 70.3 4.7 12.5 9.3 30.7 68 68 A R + 0 0 118 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.121 67.7 89.0-136.7 24.6 15.3 11.8 30.1 69 69 A T S > S- 0 0 5 -9,-0.1 3,-2.1 -19,-0.0 -2,-0.1 -0.838 71.2-141.2-124.5 89.0 13.9 15.1 31.5 70 70 A P T 3 S+ 0 0 115 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.294 85.4 15.0 -54.6 122.9 14.8 15.4 35.2 71 71 A G T 3 S+ 0 0 76 1,-0.2 -10,-0.0 -2,-0.0 0, 0.0 0.478 85.3 155.0 93.1 3.5 11.9 17.0 37.1 72 72 A S < - 0 0 33 -3,-2.1 -10,-0.3 1,-0.1 -1,-0.2 -0.295 35.0-150.3 -62.5 150.8 9.3 16.5 34.4 73 73 A R - 0 0 165 -12,-1.5 -11,-0.2 -9,-0.1 -10,-0.1 0.644 10.3-148.4-100.5 -12.9 5.7 16.4 35.7 74 74 A N > + 0 0 32 -10,-0.5 3,-1.8 -14,-0.4 -11,-0.3 0.860 26.4 171.5 43.5 52.6 3.9 14.1 33.1 75 75 A L T 3 S+ 0 0 40 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.1 0.695 76.4 48.1 -63.9 -23.5 0.5 15.9 33.5 76 76 A d T 3 S- 0 0 20 -13,-2.1 -1,-0.3 2,-0.1 -12,-0.1 0.444 105.4-133.5 -94.8 -0.8 -1.0 14.1 30.5 77 77 A N < + 0 0 133 -3,-1.8 -13,-0.1 -14,-0.2 -2,-0.1 0.919 61.8 116.2 46.4 61.7 0.2 10.8 31.9 78 78 A I S S- 0 0 36 -15,-0.4 -13,-2.9 16,-0.0 2,-0.3 -0.989 72.3-103.3-152.0 151.4 1.6 9.4 28.7 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.636 36.1-124.9 -75.9 139.2 5.0 8.4 27.2 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-1.8 -2,-0.3 4,-0.2 0.829 108.3 68.6 -53.6 -31.2 6.1 11.2 24.9 81 81 A S G > S+ 0 0 85 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.785 86.4 66.9 -60.1 -28.8 6.4 8.6 22.1 82 82 A A G X S+ 0 0 34 -3,-1.8 3,-0.9 1,-0.3 -1,-0.3 0.782 92.9 62.7 -62.2 -25.9 2.6 8.2 22.1 83 83 A L G < S+ 0 0 3 -3,-1.8 -28,-0.5 -4,-0.4 -1,-0.3 0.483 93.3 61.6 -78.2 -6.9 2.5 11.8 20.8 84 84 A L G < S+ 0 0 41 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.406 78.4 121.2 -99.2 -0.3 4.3 10.8 17.5 85 85 A S S < S- 0 0 53 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.171 73.8-122.4 -61.5 154.7 1.7 8.4 16.4 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.7 -45,-0.0 -1,-0.1 0.763 102.0 76.6 -68.3 -25.4 -0.1 8.8 13.0 87 87 A D S S- 0 0 95 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.795 73.7-158.7 -86.6 118.3 -3.3 8.8 15.1 88 88 A I > + 0 0 10 -2,-0.7 4,-2.5 1,-0.2 3,-0.3 0.486 61.9 105.4 -79.6 -0.2 -3.5 12.3 16.7 89 89 A T H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 80.5 47.1 -46.5 -50.3 -5.9 11.3 19.5 90 90 A A H > S+ 0 0 29 -3,-0.5 4,-1.9 -8,-0.2 -1,-0.2 0.902 113.0 49.5 -60.8 -43.8 -3.2 11.4 22.3 91 91 A S H > S+ 0 0 2 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.878 112.6 48.4 -63.8 -38.8 -1.9 14.7 21.1 92 92 A V H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.926 110.1 49.5 -68.3 -44.9 -5.4 16.2 21.0 93 93 A N H X S+ 0 0 87 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.863 115.7 44.5 -62.6 -37.0 -6.3 14.9 24.5 94 94 A d H >X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 3,-0.6 0.921 109.8 54.5 -73.3 -42.9 -3.1 16.4 25.9 95 95 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.866 103.0 59.0 -56.9 -36.9 -3.5 19.7 24.0 96 96 A K H 3X S+ 0 0 46 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.884 107.5 44.8 -60.7 -39.1 -7.0 20.0 25.6 97 97 A K H << S+ 0 0 101 -4,-1.0 4,-0.3 -3,-0.6 3,-0.3 0.901 113.5 51.1 -71.9 -40.8 -5.4 20.0 29.1 98 98 A I H >< S+ 0 0 9 -4,-2.2 3,-1.9 1,-0.2 5,-0.4 0.951 109.3 48.5 -61.0 -50.7 -2.7 22.4 28.0 99 99 A V H 3< S+ 0 0 6 -4,-3.1 5,-0.4 1,-0.3 3,-0.4 0.700 110.5 53.2 -66.4 -17.7 -5.0 25.0 26.5 100 100 A S T 3< S+ 0 0 48 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.459 83.0 95.7 -93.3 -1.6 -7.2 24.8 29.7 101 101 A D S < S- 0 0 102 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 0.459 107.1 -93.4 -70.2 -4.8 -4.1 25.5 31.8 102 102 A G S S+ 0 0 65 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.017 114.1 68.6 118.9 -31.9 -4.7 29.2 32.1 103 103 A N S > S- 0 0 116 -5,-0.4 3,-1.5 1,-0.3 4,-0.1 0.332 81.9-152.3-105.3 11.1 -2.7 30.8 29.3 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.2 1,-0.2 -1,-0.3 -0.233 64.9 -18.9 57.7-143.8 -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 0.496 116.6 89.3 -75.6 -3.5 -3.0 28.9 23.1 106 106 A N G < + 0 0 46 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.606 68.7 81.2 -67.5 -12.9 -0.2 31.2 24.1 107 107 A A G < S+ 0 0 53 -3,-1.2 2,-0.7 1,-0.1 -1,-0.3 0.714 83.9 68.0 -62.6 -24.5 1.3 28.0 25.5 108 108 A W S <> S- 0 0 9 -3,-2.0 4,-2.2 1,-0.2 3,-0.4 -0.904 73.3-160.1-103.4 111.2 2.4 27.4 21.9 109 109 A V H > S+ 0 0 73 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.842 90.4 53.5 -58.0 -41.5 5.1 30.0 20.9 110 110 A A H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 5,-0.5 0.869 109.6 49.4 -65.4 -32.8 4.6 29.5 17.1 111 111 A W H >>S+ 0 0 12 -3,-0.4 5,-3.4 -6,-0.2 4,-2.3 0.955 112.4 47.9 -67.6 -46.9 0.8 30.2 17.6 112 112 A R H <5S+ 0 0 104 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.930 121.5 34.9 -59.3 -45.2 1.6 33.3 19.6 113 113 A N H <5S+ 0 0 115 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.649 134.0 20.4 -88.0 -16.0 4.1 34.6 17.1 114 114 A R H <5S+ 0 0 144 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.585 129.8 29.1-129.9 -15.7 2.6 33.5 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.5 -3,-0.2 0.721 84.8 103.7-114.5 -40.7 -1.1 32.7 14.2 116 116 A K T 3 + 0 0 81 1,-0.2 3,-1.0 -2,-0.2 4,-0.2 -0.641 53.6 169.0 -81.8 84.8 -6.8 35.4 9.5 120 120 A V G > + 0 0 7 -2,-1.8 3,-1.5 1,-0.2 4,-0.3 0.664 63.3 80.6 -73.2 -13.6 -6.6 31.8 10.8 121 121 A Q G >> S+ 0 0 109 1,-0.3 3,-2.1 -3,-0.2 4,-0.7 0.873 78.6 69.0 -58.8 -35.6 -9.8 31.2 8.8 122 122 A A G <4 S+ 0 0 32 -3,-1.0 3,-0.5 1,-0.3 -1,-0.3 0.762 85.5 70.6 -56.0 -25.4 -7.7 30.8 5.7 123 123 A W G <4 S+ 0 0 56 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.670 108.8 31.4 -68.4 -19.4 -6.2 27.6 7.2 124 124 A I T X4 S+ 0 0 51 -3,-2.1 3,-1.9 -4,-0.3 -1,-0.2 0.350 88.4 128.4-117.6 3.1 -9.5 25.7 6.7 125 125 A R T 3< S+ 0 0 159 -4,-0.7 3,-0.1 -3,-0.5 -119,-0.1 -0.320 76.1 17.7 -61.7 136.7 -10.7 27.5 3.6 126 126 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -120,-0.0 -1,-0.3 0.338 94.8 127.2 85.2 -6.3 -11.6 25.1 0.9 127 127 A a < - 0 0 23 -3,-1.9 2,-0.7 -122,-0.0 -1,-0.2 -0.626 58.0-136.2 -89.9 143.4 -11.9 22.1 3.1 128 128 A R 0 0 245 -2,-0.3 -118,-0.1 1,-0.2 -3,-0.0 -0.870 360.0 360.0 -92.9 112.6 -15.0 19.8 3.2 129 129 A L 0 0 96 -2,-0.7 -1,-0.2 -120,-0.0 -116,-0.0 0.749 360.0 360.0-117.2 360.0 -15.5 19.3 6.9