==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-98 1B0D . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.C.VANEY,I.BROUTIN,P.RETAILLEAU,S.LAFONT,C.HAMIAUX, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6730.0 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 . 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 . 34 26.4 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 87 0, 0.0 39,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.1 2.4 10.5 9.3 2 2 A V B -A 39 0A 102 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.902 360.0-146.2-101.5 109.0 2.5 13.9 7.5 3 3 A F - 0 0 13 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.421 6.5-127.5 -76.3 148.4 -1.1 15.3 7.4 4 4 A G > - 0 0 35 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.598 31.9-109.3 -85.9 157.3 -2.5 17.3 4.6 5 5 A R H > S+ 0 0 89 -2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.945 117.1 35.7 -53.5 -56.2 -4.1 20.6 5.7 6 6 A a H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.847 114.5 57.7 -68.6 -34.5 -7.7 19.7 5.1 7 7 A E H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 110.9 43.1 -60.6 -45.5 -7.2 16.1 6.3 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.872 109.6 57.3 -68.9 -39.3 -5.9 17.4 9.6 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.944 109.2 46.3 -55.7 -47.6 -8.7 19.9 9.9 10 10 A A H X S+ 0 0 43 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.843 112.6 48.5 -64.5 -40.1 -11.3 17.1 9.6 11 11 A A H X S+ 0 0 22 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.889 113.1 47.8 -69.0 -40.1 -9.5 14.8 12.1 12 12 A M H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.3 0.882 112.5 49.5 -66.7 -39.1 -9.2 17.7 14.7 13 13 A K H ><5S+ 0 0 86 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.910 109.1 52.0 -65.4 -43.4 -12.9 18.7 14.1 14 14 A R H 3<5S+ 0 0 199 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.6 53.6 -62.7 -31.7 -13.9 15.0 14.6 15 15 A H T 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.268 123.7-103.9 -88.2 11.2 -11.9 15.0 17.9 16 16 A G T < 5S+ 0 0 36 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.717 81.6 127.0 77.2 25.8 -13.8 18.1 19.2 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.3 2,-0.1 2,-0.3 0.752 36.7 107.3 -85.2 -24.7 -11.2 20.9 18.7 18 18 A D T 3 S- 0 0 65 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.399 105.1 -10.2 -60.0 116.4 -13.3 23.3 16.7 19 19 A N T > S+ 0 0 97 4,-1.3 3,-2.5 -2,-0.3 2,-0.3 0.607 89.0 166.9 66.7 16.7 -14.1 26.2 19.0 20 20 A Y B X S-B 23 0B 68 -3,-2.3 3,-1.7 3,-0.7 -1,-0.3 -0.496 79.9 -7.9 -64.2 118.9 -12.7 24.2 21.9 21 21 A R T 3 S- 0 0 169 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.764 134.9 -57.0 60.1 29.1 -12.4 26.9 24.7 22 22 A G T < S+ 0 0 66 -3,-2.5 2,-0.8 1,-0.2 -1,-0.3 0.423 105.1 130.0 85.8 -0.3 -13.3 29.5 22.0 23 23 A Y B < -B 20 0B 48 -3,-1.7 -4,-1.3 -6,-0.1 -3,-0.7 -0.789 53.1-137.3 -93.9 107.7 -10.4 28.6 19.6 24 24 A S >> - 0 0 33 -2,-0.8 3,-1.6 -5,-0.2 4,-0.9 -0.126 27.0-103.3 -57.2 157.2 -11.7 28.1 16.1 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.792 117.7 66.2 -52.9 -35.9 -10.4 25.2 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.810 96.1 56.9 -58.4 -33.2 -8.1 27.5 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.908 108.7 45.3 -64.4 -43.0 -6.1 28.2 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.845 114.5 47.4 -68.8 -38.7 -5.3 24.5 15.7 29 29 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.887 112.6 50.0 -71.2 -38.0 -4.4 23.9 12.1 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.905 111.2 49.0 -66.5 -41.5 -2.2 27.0 12.0 31 31 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 5,-0.2 0.920 109.6 51.0 -64.7 -44.2 -0.4 25.9 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 6,-1.3 0.886 108.0 53.9 -61.5 -40.6 0.2 22.4 13.9 33 33 A K H X5S+ 0 0 64 -4,-1.8 4,-1.5 4,-0.2 -1,-0.2 0.950 116.0 36.5 -58.4 -52.0 1.7 23.7 10.7 34 34 A F H <5S+ 0 0 56 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.579 119.2 49.3 -81.7 -10.4 4.2 25.9 12.4 35 35 A E H <5S- 0 0 36 -4,-1.4 -2,-0.2 20,-0.2 -3,-0.2 0.868 138.8 -6.2 -92.2 -42.5 5.0 23.6 15.3 36 36 A S H ><5S- 0 0 10 -4,-2.4 3,-1.0 19,-0.4 -3,-0.2 0.403 86.5-113.2-133.6 -4.0 5.6 20.4 13.3 37 37 A N T 3< - 0 0 54 4,-3.3 3,-1.7 -2,-0.3 -1,-0.0 -0.627 24.7-110.1-102.3 164.4 15.2 22.1 24.1 47 47 A T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.791 114.8 62.5 -62.4 -30.1 18.0 23.8 26.0 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.479 121.6-104.2 -76.4 0.5 16.5 22.9 29.3 49 49 A G S < S+ 0 0 24 -3,-1.7 -2,-0.1 1,-0.4 -1,-0.1 0.247 86.0 117.1 97.1 -13.8 16.9 19.2 28.5 50 50 A S - 0 0 0 19,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.317 53.3-141.5 -80.5 170.4 13.2 18.6 27.7 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.2 -3,-0.1 2,-0.4 -0.980 5.7-132.6-136.9 145.2 11.9 17.6 24.3 52 52 A D E -CD 44 59C 27 -8,-3.1 -8,-1.7 -2,-0.3 2,-0.4 -0.838 27.2-155.7 -98.1 137.2 8.8 18.5 22.3 53 53 A Y E > -CD 43 58C 25 5,-2.2 5,-2.2 -2,-0.4 3,-0.4 -0.938 31.7 -24.2-126.1 138.2 6.8 15.7 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.1 3,-1.6 -2,-0.4 30,-0.2 -0.116 97.4 -25.2 77.1-170.1 4.4 15.3 17.8 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.760 141.5 32.2 -52.3 -36.3 2.0 17.4 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.213 107.4-122.1-110.9 12.4 1.5 20.0 18.5 57 57 A Q T < 5 - 0 0 12 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.895 33.9-163.3 46.8 58.6 5.0 19.7 20.0 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.2 -6,-0.1 2,-0.2 -0.562 18.0-118.5 -76.0 127.5 4.0 18.8 23.5 59 59 A N E >> -D 52 0C 28 -2,-0.3 4,-1.9 -7,-0.2 5,-0.9 -0.469 6.8-146.4 -74.7 136.4 6.8 19.3 26.1 60 60 A S T 45S+ 0 0 0 -9,-2.2 14,-0.3 -2,-0.2 6,-0.3 0.548 90.7 71.7 -76.7 -11.3 8.3 16.4 28.2 61 61 A R T 45S+ 0 0 49 11,-0.2 12,-2.0 -10,-0.2 13,-0.2 0.924 121.5 3.1 -71.3 -42.3 8.9 18.6 31.2 62 62 A W T 45S+ 0 0 130 -3,-0.4 13,-3.3 10,-0.2 -2,-0.2 0.758 132.8 38.8-114.7 -34.8 5.2 18.9 32.1 63 63 A W T <5S+ 0 0 27 -4,-1.9 13,-1.9 11,-0.3 15,-0.4 0.805 110.5 17.3 -97.2 -35.0 3.0 16.9 29.9 64 64 A c < - 0 0 0 -5,-0.9 2,-0.5 11,-0.1 10,-0.4 -0.934 66.7-118.0-138.2 164.3 4.5 13.6 28.9 65 65 A N B +e 79 0D 71 13,-2.1 15,-2.4 -2,-0.3 16,-0.4 -0.899 27.4 168.0-106.1 125.2 7.2 11.2 30.1 66 66 A D - 0 0 36 -2,-0.5 -1,-0.1 -6,-0.3 -5,-0.0 0.241 52.8-116.8-113.7 8.8 10.1 10.4 27.8 67 67 A G S S+ 0 0 66 2,-0.2 -2,-0.1 -7,-0.1 -7,-0.0 0.413 102.9 66.5 72.1 1.0 12.2 8.8 30.5 68 68 A R + 0 0 120 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.274 69.6 96.1-134.5 9.4 15.0 11.3 30.2 69 69 A T > - 0 0 10 -9,-0.1 3,-1.3 -18,-0.0 2,-0.2 -0.904 68.8-137.1-108.0 107.5 13.5 14.6 31.5 70 70 A P T 3 S+ 0 0 101 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.452 87.1 15.6 -64.4 127.3 14.3 15.2 35.2 71 71 A G T 3 S+ 0 0 63 1,-0.2 2,-0.2 -2,-0.2 -10,-0.0 0.729 83.3 171.8 82.0 22.6 11.4 16.5 37.2 72 72 A S < - 0 0 32 -3,-1.3 -10,-0.2 1,-0.1 -1,-0.2 -0.460 22.1-164.1 -66.4 132.5 8.8 15.5 34.5 73 73 A R - 0 0 147 -12,-2.0 -11,-0.2 -2,-0.2 -1,-0.1 0.699 13.1-154.9 -89.8 -24.5 5.2 16.0 35.8 74 74 A N > + 0 0 36 -10,-0.4 3,-1.8 -14,-0.3 -11,-0.3 0.894 21.7 173.6 48.2 51.6 3.6 13.9 33.1 75 75 A L T 3 S+ 0 0 56 -13,-3.3 -12,-0.2 1,-0.3 -11,-0.1 0.710 75.8 50.8 -62.1 -23.1 0.3 15.8 33.5 76 76 A d T 3 S- 0 0 20 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.486 104.4-134.1 -92.1 -3.6 -1.2 14.0 30.5 77 77 A N < + 0 0 131 -3,-1.8 -13,-0.1 -14,-0.2 -2,-0.1 0.901 63.8 111.6 50.6 54.9 -0.2 10.6 31.9 78 78 A I S S- 0 0 33 -15,-0.4 -13,-2.1 16,-0.0 2,-0.2 -0.986 74.4-104.0-150.6 150.1 1.2 9.2 28.7 79 79 A P B > -e 65 0D 71 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.606 36.8-120.9 -75.1 141.9 4.7 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.4 3,-1.9 1,-0.3 -14,-0.1 0.817 109.9 68.3 -53.2 -30.5 5.8 10.9 24.9 81 81 A S G > S+ 0 0 86 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.758 86.9 67.1 -61.2 -26.5 6.1 8.3 22.2 82 82 A A G X S+ 0 0 33 -3,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.725 93.4 61.3 -65.7 -20.9 2.3 7.9 22.3 83 83 A L G < S+ 0 0 2 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.432 93.0 63.9 -85.0 -2.5 2.2 11.5 20.9 84 84 A L G < S+ 0 0 44 -3,-1.6 -1,-0.2 -30,-0.2 -2,-0.2 0.397 78.2 119.5-100.9 1.3 4.1 10.5 17.7 85 85 A S S < S- 0 0 56 -3,-0.7 6,-0.1 2,-0.2 -3,-0.0 -0.201 73.8-124.4 -66.5 153.3 1.4 8.1 16.4 86 86 A S S S+ 0 0 73 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.667 101.3 78.3 -70.7 -16.1 -0.5 8.6 13.1 87 87 A D S > S- 0 0 91 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.865 73.0-159.9 -94.5 112.4 -3.6 8.6 15.3 88 88 A I T 3> + 0 0 5 -2,-0.7 4,-2.8 1,-0.2 5,-0.3 0.396 61.3 105.9 -78.4 6.9 -3.8 12.0 16.8 89 89 A T H 3> S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 80.6 46.3 -52.2 -50.5 -6.1 11.1 19.7 90 90 A A H <> S+ 0 0 27 -3,-0.5 4,-2.0 -8,-0.3 -1,-0.2 0.892 115.1 46.7 -61.5 -42.5 -3.5 11.2 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.5 -9,-0.2 -1,-0.2 0.890 114.1 47.9 -66.6 -41.9 -2.1 14.6 21.2 92 92 A V H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.918 112.4 48.6 -66.0 -43.0 -5.5 16.1 20.9 93 93 A N H X S+ 0 0 92 -4,-2.7 4,-0.9 -5,-0.3 -2,-0.2 0.874 115.0 44.7 -65.6 -36.8 -6.6 14.9 24.4 94 94 A d H X S+ 0 0 4 -4,-2.0 4,-2.2 -5,-0.2 3,-0.4 0.904 110.3 55.5 -73.8 -37.8 -3.4 16.2 25.9 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.847 102.1 57.1 -61.6 -36.6 -3.7 19.5 24.0 96 96 A K H X S+ 0 0 43 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.861 108.3 47.1 -63.2 -35.9 -7.2 20.0 25.4 97 97 A K H X S+ 0 0 101 -4,-0.9 4,-0.6 -3,-0.4 -2,-0.2 0.922 113.0 48.4 -71.1 -44.2 -5.7 19.8 28.9 98 98 A I H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.946 112.2 47.9 -60.2 -50.0 -2.9 22.2 28.0 99 99 A V H 3< S+ 0 0 6 -4,-3.0 5,-0.2 1,-0.3 -1,-0.2 0.767 110.0 52.9 -65.5 -24.5 -5.3 24.8 26.4 100 100 A S H 3< S+ 0 0 43 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.569 91.5 89.6 -84.5 -10.1 -7.6 24.6 29.5 101 101 A D S << S- 0 0 111 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.1 0.967 104.9 -84.4 -50.8 -83.3 -4.6 25.3 31.7 102 102 A G S S+ 0 0 62 -4,-0.5 -3,-0.1 2,-0.2 -1,-0.1 0.341 116.6 52.5-164.2 -39.0 -4.4 29.1 32.1 103 103 A N S > S- 0 0 121 1,-0.3 3,-1.8 -5,-0.2 4,-0.1 0.333 86.3-154.0 -95.0 7.5 -2.5 30.8 29.2 104 104 A G G > - 0 0 8 -6,-0.3 3,-1.3 1,-0.3 -1,-0.3 -0.257 66.4 -12.2 58.3-138.6 -4.6 29.1 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.1 7,-0.3 0.511 115.9 88.5 -74.4 -3.4 -3.0 28.7 23.2 106 106 A N G < + 0 0 45 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.673 69.1 79.4 -67.5 -14.6 -0.2 31.0 24.2 107 107 A A G < S+ 0 0 59 -3,-1.3 2,-0.8 1,-0.1 -1,-0.3 0.668 82.4 73.3 -64.7 -17.9 1.5 27.9 25.5 108 108 A W S X> S- 0 0 9 -3,-1.8 4,-2.3 1,-0.2 3,-0.6 -0.894 71.0-162.1-103.9 105.4 2.4 27.2 21.8 109 109 A V H 3> S+ 0 0 78 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.860 90.6 54.0 -51.9 -43.0 5.2 29.7 20.8 110 110 A A H 3> S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.842 109.1 48.4 -65.0 -34.3 4.5 29.1 17.1 111 111 A W H <>>S+ 0 0 12 -3,-0.6 5,-3.4 -6,-0.2 4,-2.3 0.933 113.3 47.2 -69.7 -46.4 0.8 29.9 17.6 112 112 A R H <5S+ 0 0 102 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.895 121.6 35.3 -61.9 -41.8 1.6 33.1 19.5 113 113 A N H <5S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.662 134.5 20.4 -88.9 -17.3 4.2 34.4 17.1 114 114 A R H <5S+ 0 0 142 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.521 130.4 28.3-131.1 -8.6 2.7 33.2 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-1.7 -5,-0.3 -3,-0.2 0.705 87.9 96.4-119.9 -45.7 -1.1 32.5 14.2 116 116 A K T 3 + 0 0 103 -2,-0.2 3,-1.0 1,-0.2 4,-0.1 -0.680 50.9 170.7 -83.1 85.7 -6.8 35.4 9.6 120 120 A V G > + 0 0 6 -2,-1.7 3,-1.6 1,-0.2 4,-0.2 0.649 64.8 79.0 -71.7 -14.2 -6.5 31.8 10.9 121 121 A Q G >> S+ 0 0 107 1,-0.3 3,-1.9 2,-0.2 4,-0.7 0.813 78.4 71.2 -62.6 -29.4 -9.7 31.0 9.0 122 122 A A G <4 S+ 0 0 58 -3,-1.0 -1,-0.3 1,-0.3 3,-0.3 0.719 85.1 69.3 -59.7 -21.5 -7.6 30.8 5.8 123 123 A W G <4 S+ 0 0 52 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.687 107.3 34.6 -72.4 -19.7 -6.2 27.5 7.2 124 124 A I T X4 S+ 0 0 44 -3,-1.9 3,-1.8 -4,-0.2 -1,-0.2 0.416 86.6 127.7-114.3 2.3 -9.5 25.7 6.7 125 125 A R T 3< S+ 0 0 197 -4,-0.7 3,-0.1 -3,-0.3 -119,-0.1 -0.307 77.3 16.3 -60.8 135.8 -10.7 27.5 3.5 126 126 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 -120,-0.0 2,-0.2 0.237 96.0 128.1 85.5 -12.6 -11.6 25.1 0.8 127 127 A a < - 0 0 20 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 -0.548 61.8-129.5 -81.3 137.4 -11.8 22.1 3.2 128 128 A R 0 0 238 -2,-0.2 -1,-0.1 1,-0.2 -118,-0.1 -0.753 360.0 360.0 -85.9 106.5 -14.9 19.9 3.3 129 129 A L 0 0 99 -2,-1.1 -1,-0.2 -5,-0.1 -2,-0.0 0.844 360.0 360.0-108.2 360.0 -15.7 19.8 7.0