==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-AUG-00 1FLY . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.MASUMOTO,T.UEDA,H.MOTOSHIMA,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6579.0 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 . 28 21.7 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 . 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 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 86 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 130.1 2.2 10.3 9.1 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.912 360.0-142.2 -99.7 112.6 2.2 13.7 7.4 3 3 A F - 0 0 14 35,-3.1 2,-0.3 -2,-0.7 3,-0.1 -0.273 6.4-122.6 -73.2 158.4 -1.3 14.9 7.3 4 4 A G > - 0 0 33 1,-0.1 4,-3.0 -2,-0.0 5,-0.3 -0.742 30.5-114.5 -94.2 150.8 -3.1 16.8 4.6 5 5 A R H > S+ 0 0 83 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.942 116.1 36.3 -50.2 -57.8 -4.5 20.2 5.6 6 6 A a H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 115.1 57.7 -68.0 -31.9 -8.2 19.3 5.2 7 7 A E H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.948 109.7 43.0 -62.4 -49.5 -7.5 15.8 6.4 8 8 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.885 111.0 56.4 -63.8 -38.7 -6.2 17.1 9.7 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.925 109.1 46.8 -58.1 -45.1 -9.0 19.7 9.9 10 10 A A H X S+ 0 0 48 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.875 112.7 47.7 -65.9 -42.9 -11.6 16.9 9.7 11 11 A A H X S+ 0 0 15 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.875 113.4 49.4 -67.0 -38.7 -9.9 14.6 12.2 12 12 A M H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 6,-0.3 0.919 112.0 47.9 -65.8 -42.0 -9.5 17.6 14.6 13 13 A K H ><5S+ 0 0 84 -4,-2.5 3,-3.0 1,-0.2 5,-0.3 0.973 110.0 52.6 -61.9 -52.6 -13.2 18.5 14.2 14 14 A R H 3<5S+ 0 0 180 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 107.1 53.2 -49.3 -45.2 -14.3 14.9 14.7 15 15 A H T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.352 122.9-105.1 -75.5 4.1 -12.3 14.9 18.0 16 16 A G T < 5S+ 0 0 36 -3,-3.0 -3,-0.2 -5,-0.1 -2,-0.1 0.727 80.9 126.2 82.6 24.5 -14.0 18.0 19.2 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.2 2,-0.1 2,-0.4 0.700 35.5 109.4 -87.2 -19.4 -11.4 20.7 18.8 18 18 A D T 3 S- 0 0 68 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.454 105.4 -10.6 -62.6 112.9 -13.6 23.1 16.8 19 19 A N T > S+ 0 0 92 4,-1.7 3,-1.9 -2,-0.4 -1,-0.3 0.651 88.7 165.0 68.8 23.1 -14.2 26.0 19.2 20 20 A Y B X S-B 23 0B 71 -3,-2.2 3,-2.1 3,-0.7 -1,-0.2 -0.538 79.6 -5.2 -71.0 126.0 -12.8 24.0 22.2 21 21 A R T 3 S- 0 0 128 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.763 136.2 -57.7 57.4 27.5 -12.3 26.7 24.9 22 22 A G T < S+ 0 0 59 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.451 104.5 128.0 86.9 2.5 -13.2 29.3 22.3 23 23 A Y B < -B 20 0B 45 -3,-2.1 -4,-1.7 -6,-0.1 -3,-0.7 -0.818 53.3-135.6 -99.9 118.1 -10.6 28.5 19.7 24 24 A S >> - 0 0 39 -2,-0.7 3,-1.9 -5,-0.2 4,-0.9 -0.278 28.1-104.0 -65.3 155.5 -11.9 27.9 16.2 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.784 116.9 68.1 -48.4 -37.5 -10.6 25.0 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.828 97.3 53.8 -55.3 -34.7 -8.5 27.4 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.913 108.3 47.1 -65.3 -49.5 -6.3 28.0 15.1 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.856 114.0 47.6 -62.6 -38.5 -5.6 24.4 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.918 112.6 49.4 -69.4 -43.3 -4.7 23.7 12.1 30 30 A b H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.919 110.6 50.4 -61.2 -44.7 -2.5 26.7 12.0 31 31 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.918 111.1 47.8 -60.8 -45.1 -0.7 25.7 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-1.2 0.933 109.1 56.1 -62.2 -42.9 -0.1 22.1 13.8 33 33 A K H X5S+ 0 0 58 -4,-2.6 4,-0.9 4,-0.2 -2,-0.2 0.930 117.7 31.2 -52.9 -56.0 1.2 23.6 10.6 34 34 A F H <5S+ 0 0 59 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.699 120.3 51.1 -81.3 -20.9 3.9 25.8 12.2 35 35 A E H <5S- 0 0 33 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.927 138.0 -5.6 -81.1 -45.2 4.6 23.5 15.2 36 36 A S H ><5S- 0 0 11 -4,-2.5 3,-1.0 19,-0.5 -3,-0.2 0.427 85.4-117.9-129.1 -7.6 5.2 20.3 13.3 37 37 A N T 3< - 0 0 54 4,-2.7 3,-2.1 -2,-0.3 -1,-0.0 -0.721 26.0-108.6-106.1 161.5 15.0 22.0 24.0 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.790 116.6 60.2 -58.4 -33.1 17.9 23.6 25.9 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.362 120.7-106.9 -79.2 7.7 16.5 22.5 29.2 49 49 A G S < S+ 0 0 21 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.304 83.1 120.9 87.6 -13.4 16.8 18.9 28.1 50 50 A S - 0 0 0 19,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.276 51.9-141.4 -75.1 172.1 13.0 18.4 27.7 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.4 -3,-0.1 2,-0.4 -0.983 4.0-132.7-139.0 147.0 11.7 17.4 24.2 52 52 A D E -CD 44 59C 27 -8,-2.9 -8,-1.4 -2,-0.3 2,-0.4 -0.848 27.0-156.4 -99.0 140.0 8.5 18.3 22.2 53 53 A Y E > -CD 43 58C 24 5,-2.4 5,-2.4 -2,-0.4 3,-0.4 -0.926 31.3 -22.8-126.5 139.5 6.5 15.5 20.6 54 54 A G T > 5S- 0 0 0 -12,-1.8 3,-1.8 -2,-0.4 30,-0.2 0.003 97.2 -25.6 76.4-173.4 4.1 15.1 17.8 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.5 1,-0.3 -17,-0.3 0.746 142.2 32.7 -50.2 -34.6 1.7 17.1 15.6 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.228 106.6-123.6-112.1 13.3 1.2 19.7 18.4 57 57 A Q T < 5 - 0 0 13 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.900 34.1-164.4 44.4 58.7 4.8 19.5 19.8 58 58 A I E < -D 53 0C 2 -5,-2.4 -5,-2.4 -6,-0.1 2,-0.3 -0.558 17.3-118.9 -75.9 133.2 3.7 18.7 23.4 59 59 A N E >>> -D 52 0C 31 -2,-0.3 4,-2.0 -7,-0.2 3,-0.6 -0.550 7.2-146.7 -83.0 138.8 6.5 19.1 25.9 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.4 -2,-0.3 13,-0.3 0.615 88.9 74.8 -75.7 -15.4 7.9 16.4 28.2 61 61 A R T 345S+ 0 0 51 11,-0.2 12,-1.4 -10,-0.2 -1,-0.2 0.901 120.5 3.9 -65.8 -33.5 8.7 18.7 31.2 62 62 A W T <45S+ 0 0 125 -3,-0.6 13,-3.2 10,-0.2 -2,-0.2 0.723 131.3 40.4-121.2 -32.4 5.0 18.8 32.1 63 63 A W T <5S+ 0 0 29 -4,-2.0 13,-2.1 11,-0.3 15,-0.3 0.743 106.7 19.0-103.3 -24.3 2.8 16.7 29.9 64 64 A c < - 0 0 0 -5,-0.5 2,-0.5 11,-0.1 10,-0.5 -0.937 66.3-113.4-146.2 165.1 4.2 13.3 29.1 65 65 A N B +e 79 0D 79 13,-2.6 15,-2.3 -2,-0.3 16,-0.4 -0.901 32.6 160.3-106.8 122.6 6.9 10.8 30.2 66 66 A D - 0 0 36 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.282 54.1-120.7-117.0 4.4 9.8 10.1 28.0 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.457 98.6 73.0 70.8 3.8 12.0 8.7 30.7 68 68 A R + 0 0 111 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.096 65.3 91.8-136.9 25.3 14.7 11.3 30.2 69 69 A T > - 0 0 8 -9,-0.1 3,-2.9 -19,-0.0 -2,-0.1 -0.746 69.7-140.5-124.5 82.7 13.4 14.6 31.5 70 70 A P T 3 S+ 0 0 116 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.147 88.9 14.7 -44.5 119.0 14.5 15.0 35.2 71 71 A G T 3 S+ 0 0 69 1,-0.2 -10,-0.0 2,-0.0 0, 0.0 0.424 87.4 159.5 93.3 -0.6 11.6 16.5 37.1 72 72 A S < - 0 0 32 -3,-2.9 -10,-0.2 1,-0.1 -1,-0.2 -0.096 30.2-155.1 -50.4 154.2 8.9 15.9 34.4 73 73 A R - 0 0 151 -12,-1.4 -11,-0.2 -13,-0.3 -10,-0.1 0.704 9.7-149.0-107.6 -24.6 5.3 15.9 35.6 74 74 A N > + 0 0 39 -10,-0.5 3,-1.4 -14,-0.4 -11,-0.3 0.912 25.8 171.0 52.1 53.9 3.4 13.7 33.1 75 75 A L T 3 S+ 0 0 61 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.1 0.735 75.0 50.9 -66.1 -25.5 0.1 15.6 33.4 76 76 A d T 3 S- 0 0 8 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.473 106.2-128.6 -90.8 -2.5 -1.5 13.8 30.5 77 77 A N < + 0 0 135 -3,-1.4 -13,-0.1 1,-0.2 -2,-0.1 0.913 66.0 110.6 58.0 54.4 -0.5 10.4 31.9 78 78 A I S S- 0 0 33 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.996 73.4-104.9-155.7 150.9 1.2 9.0 28.8 79 79 A P B > -e 65 0D 67 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.608 39.2-121.7 -75.4 142.3 4.6 8.1 27.4 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-2.2 1,-0.3 4,-0.2 0.814 108.7 70.3 -55.0 -29.9 5.6 10.8 25.0 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.0 1,-0.3 4,-0.3 0.821 85.0 69.0 -59.3 -27.6 5.9 8.2 22.2 82 82 A A G < S+ 0 0 31 -3,-1.8 3,-0.5 1,-0.3 -1,-0.3 0.679 91.0 62.5 -64.4 -17.0 2.1 7.9 22.2 83 83 A L G < S+ 0 0 2 -3,-2.2 -28,-0.6 -4,-0.3 -1,-0.3 0.474 94.1 61.1 -86.7 -2.7 2.0 11.4 20.8 84 84 A L S < S+ 0 0 44 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.441 78.9 120.8-101.6 -3.7 3.9 10.3 17.6 85 85 A S S S- 0 0 54 -3,-0.5 6,-0.1 -4,-0.3 -3,-0.0 -0.133 73.5-125.0 -59.3 152.0 1.1 7.9 16.5 86 86 A S S S+ 0 0 75 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.671 102.0 77.5 -71.2 -18.5 -0.7 8.2 13.2 87 87 A D S > S- 0 0 90 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.860 72.6-162.2 -92.3 112.9 -3.8 8.2 15.4 88 88 A I T 3> + 0 0 5 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.414 59.9 105.9 -80.4 5.2 -4.0 11.8 16.8 89 89 A T H 3> S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 80.9 46.4 -52.1 -47.1 -6.4 10.9 19.7 90 90 A A H <> S+ 0 0 29 -3,-0.6 4,-2.1 -8,-0.3 5,-0.2 0.921 112.9 50.1 -62.1 -46.5 -3.8 11.0 22.4 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.916 112.3 48.3 -57.8 -44.8 -2.3 14.3 21.1 92 92 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.930 110.4 49.4 -64.7 -43.3 -5.8 15.8 21.0 93 93 A N H X S+ 0 0 73 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.872 114.3 45.3 -65.5 -35.6 -6.8 14.8 24.5 94 94 A d H >X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 3,-0.6 0.896 110.3 54.1 -73.8 -39.6 -3.5 16.1 26.0 95 95 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.3 0.876 102.8 59.0 -60.9 -36.4 -3.9 19.4 24.0 96 96 A K H 3X S+ 0 0 44 -4,-2.3 4,-0.6 1,-0.2 -1,-0.3 0.847 107.9 44.8 -61.9 -33.1 -7.4 19.7 25.5 97 97 A K H << S+ 0 0 88 -4,-0.9 4,-0.3 -3,-0.6 -2,-0.2 0.873 112.7 51.1 -77.2 -38.7 -5.8 19.7 29.0 98 98 A I H >< S+ 0 0 9 -4,-2.2 3,-2.1 1,-0.2 6,-0.3 0.961 109.6 48.1 -62.6 -50.6 -3.0 22.2 28.0 99 99 A V H 3< S+ 0 0 0 -4,-2.6 5,-0.2 1,-0.3 -1,-0.2 0.714 102.8 64.6 -65.3 -20.6 -5.3 24.8 26.4 100 100 A S T 3< S+ 0 0 50 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.561 86.2 98.0 -78.0 -12.1 -7.5 24.6 29.5 101 101 A D S X S- 0 0 93 -3,-2.1 3,-1.5 -4,-0.3 6,-0.1 -0.192 99.1 -87.2 -68.5 173.2 -4.6 26.0 31.5 102 102 A A T 3 S+ 0 0 93 1,-0.3 -1,-0.1 2,-0.0 -3,-0.1 0.782 122.7 50.4 -54.2 -34.1 -4.4 29.7 32.4 103 103 A N T > S- 0 0 115 1,-0.2 3,-1.6 -5,-0.2 -1,-0.3 0.490 85.0-160.1 -90.7 0.0 -2.6 30.7 29.2 104 104 A G G X - 0 0 1 -3,-1.5 3,-1.3 -6,-0.3 -1,-0.2 -0.316 69.5 -14.0 60.1-140.2 -4.8 29.1 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 7,-0.3 0.567 116.6 87.7 -74.3 -7.4 -3.2 28.7 23.2 106 106 A N G < + 0 0 43 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.605 69.7 81.6 -65.8 -9.9 -0.3 31.0 24.1 107 107 A A G < S+ 0 0 57 -3,-1.3 2,-0.7 1,-0.1 -1,-0.3 0.695 82.5 69.0 -66.4 -19.7 1.2 27.7 25.4 108 108 A W S <> S- 0 0 8 -3,-2.3 4,-2.3 1,-0.2 3,-0.4 -0.893 72.0-161.9-104.4 107.9 2.2 27.1 21.8 109 109 A V H > S+ 0 0 73 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.848 90.8 54.5 -55.8 -39.2 4.9 29.5 20.8 110 110 A A H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.5 0.878 109.2 47.9 -64.4 -38.4 4.3 28.9 17.1 111 111 A W H >>S+ 0 0 12 -3,-0.4 5,-3.6 -6,-0.2 4,-2.0 0.939 112.8 48.2 -66.2 -47.4 0.6 29.8 17.5 112 112 A R H <5S+ 0 0 107 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.949 121.5 35.3 -58.4 -47.1 1.4 32.9 19.5 113 113 A N H <5S+ 0 0 113 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.756 133.1 20.5 -83.0 -25.2 3.9 34.1 16.9 114 114 A R H <5S+ 0 0 146 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.579 131.2 28.7-122.9 -11.6 2.5 32.9 13.6 115 115 A b T ><5S+ 0 0 0 -4,-2.0 3,-2.0 -5,-0.5 -3,-0.2 0.754 85.1 103.2-116.3 -43.9 -1.2 32.3 14.1 116 116 A K T 3 + 0 0 86 -2,-0.2 3,-1.5 1,-0.2 4,-0.2 -0.531 53.4 172.5 -74.0 80.5 -7.0 35.3 9.4 120 120 A V G > + 0 0 10 -2,-2.3 3,-1.8 1,-0.3 4,-0.3 0.726 64.0 79.9 -66.3 -15.9 -6.9 31.7 10.7 121 121 A Q G >> S+ 0 0 118 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.777 78.2 73.3 -61.1 -24.1 -10.0 30.8 8.8 122 122 A A G X4 S+ 0 0 33 -3,-1.5 3,-0.8 1,-0.3 -1,-0.3 0.816 83.5 67.6 -60.0 -31.4 -7.7 30.5 5.8 123 123 A W G <4 S+ 0 0 55 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.655 109.1 33.4 -66.7 -17.1 -6.4 27.2 7.2 124 124 A I G X4 S+ 0 0 44 -3,-1.6 3,-1.7 -4,-0.3 -1,-0.2 0.387 87.0 124.6-118.5 3.9 -9.7 25.4 6.7 125 125 A R T << S+ 0 0 156 -3,-0.8 3,-0.1 -4,-0.6 -119,-0.0 -0.260 76.0 22.9 -62.0 147.2 -10.9 27.2 3.5 126 126 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -120,-0.0 -1,-0.3 0.432 95.4 124.8 76.7 -4.3 -11.7 24.7 0.7 127 127 A a < - 0 0 21 -3,-1.7 2,-1.1 -122,-0.0 -1,-0.2 -0.712 65.6-128.1 -93.4 141.6 -12.2 21.9 3.1 128 128 A R 0 0 245 -2,-0.3 -3,-0.0 1,-0.2 -118,-0.0 -0.763 360.0 360.0 -85.3 99.1 -15.4 19.8 3.2 129 129 A L 0 0 104 -2,-1.1 -1,-0.2 -5,-0.1 -5,-0.0 0.694 360.0 360.0-114.6 360.0 -16.2 20.1 6.9