==== 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 18-SEP-98 1BWJ . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.DONG,T.J.BOGGON,N.E.CHAYEN,J.RAFTERY,R.C.BI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 27 20.9 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 87 0, 0.0 39,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 139.0 2.4 10.5 9.1 2 2 A V B -A 39 0A 103 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.934 360.0-145.0-103.1 111.0 2.5 13.9 7.3 3 3 A F - 0 0 15 35,-2.6 2,-0.2 -2,-0.7 3,-0.0 -0.349 7.2-124.3 -74.8 156.0 -1.1 15.2 7.2 4 4 A G > - 0 0 34 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.631 33.2-109.4 -90.8 159.7 -2.7 17.2 4.5 5 5 A R H > S+ 0 0 65 -2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.943 116.6 36.1 -55.7 -54.7 -4.2 20.5 5.6 6 6 A a H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.817 113.2 59.3 -70.9 -31.9 -7.9 19.5 5.2 7 7 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 110.1 42.7 -62.8 -43.0 -7.3 16.0 6.4 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.896 110.4 56.6 -69.3 -41.5 -6.0 17.3 9.7 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.938 110.1 45.7 -54.9 -45.7 -8.8 19.9 9.9 10 10 A A H X S+ 0 0 46 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.907 112.7 49.2 -65.8 -43.8 -11.3 17.1 9.6 11 11 A A H X S+ 0 0 17 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.911 112.7 47.5 -63.8 -41.7 -9.6 14.8 12.2 12 12 A M H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 6,-0.3 0.905 111.5 51.0 -66.6 -38.6 -9.3 17.7 14.7 13 13 A K H ><5S+ 0 0 83 -4,-2.4 3,-2.1 -5,-0.3 5,-0.3 0.959 108.3 52.0 -63.1 -46.0 -12.9 18.5 14.2 14 14 A R H 3<5S+ 0 0 189 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 106.8 54.6 -59.7 -29.7 -13.9 14.9 14.8 15 15 A H T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.295 123.2-103.2 -89.3 10.7 -11.9 14.9 18.0 16 16 A G T < 5S+ 0 0 38 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.693 83.3 124.6 80.4 22.0 -13.8 17.9 19.3 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.0 2,-0.1 2,-0.4 0.721 35.9 106.4 -86.3 -20.7 -11.2 20.7 18.8 18 18 A D T 3 S- 0 0 63 -6,-0.3 6,-0.2 1,-0.3 4,-0.1 -0.472 106.2 -8.1 -63.5 114.6 -13.4 23.1 16.7 19 19 A N T > S+ 0 0 98 4,-1.4 3,-2.3 -2,-0.4 -1,-0.3 0.540 88.1 164.6 73.4 13.3 -14.1 25.9 19.2 20 20 A Y B X S-B 23 0B 72 -3,-2.0 3,-1.7 3,-0.6 -1,-0.2 -0.458 79.5 -7.0 -64.2 123.5 -12.6 24.1 22.2 21 21 A R T 3 S- 0 0 162 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.744 135.0 -57.5 59.9 26.1 -12.2 26.8 25.0 22 22 A G T < S+ 0 0 64 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.507 103.9 129.0 86.8 3.8 -13.2 29.4 22.4 23 23 A Y B < -B 20 0B 47 -3,-1.7 -4,-1.4 -6,-0.1 -3,-0.6 -0.849 53.2-135.3 -98.8 113.3 -10.5 28.6 19.8 24 24 A S >> - 0 0 44 -2,-0.7 3,-1.8 -5,-0.2 4,-0.8 -0.159 27.9-102.4 -61.6 158.0 -11.8 28.1 16.3 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.822 118.0 65.4 -51.0 -39.8 -10.6 25.2 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.801 96.3 57.8 -55.9 -31.6 -8.3 27.5 12.1 27 27 A N H <> S+ 0 0 19 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.907 107.3 45.9 -65.8 -42.3 -6.2 28.2 15.2 28 28 A W H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.5 -2,-0.2 0.865 113.3 48.6 -69.2 -39.6 -5.4 24.5 15.8 29 29 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 112.6 49.1 -68.6 -40.3 -4.5 23.9 12.2 30 30 A b H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.922 111.1 49.8 -63.6 -45.0 -2.3 27.0 12.1 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.922 112.1 47.8 -60.6 -44.2 -0.6 25.9 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 6,-1.2 0.898 108.8 54.9 -64.1 -42.2 0.1 22.4 13.9 33 33 A K H X5S+ 0 0 61 -4,-2.4 4,-1.4 4,-0.2 -2,-0.2 0.945 117.5 34.4 -56.1 -50.3 1.4 23.8 10.7 34 34 A F H <5S+ 0 0 58 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.696 119.2 49.6 -82.8 -18.6 4.0 25.9 12.4 35 35 A E H <5S- 0 0 39 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.916 137.9 -3.6 -83.8 -42.6 4.8 23.6 15.3 36 36 A S H ><5S- 0 0 10 -4,-2.3 3,-1.4 19,-0.4 -3,-0.2 0.385 85.7-115.6-131.9 0.0 5.4 20.5 13.3 37 37 A N T 3< - 0 0 54 4,-3.0 3,-1.7 -2,-0.3 -1,-0.0 -0.644 26.1-111.5-101.0 161.5 15.1 22.3 24.0 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.821 114.9 62.6 -62.7 -29.7 18.1 23.8 25.8 48 48 A D T 3 S- 0 0 81 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.446 121.0-104.6 -74.8 1.5 16.7 22.8 29.2 49 49 A G S < S+ 0 0 22 -3,-1.7 -2,-0.1 1,-0.4 2,-0.1 0.294 84.8 118.6 95.5 -13.9 16.9 19.1 28.3 50 50 A S - 0 0 0 19,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.404 53.0-141.3 -80.2 167.9 13.2 18.6 27.7 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.0 -2,-0.1 2,-0.4 -0.962 4.3-133.7-134.7 143.2 11.9 17.6 24.2 52 52 A D E -CD 44 59C 27 -8,-2.9 -8,-1.6 -2,-0.3 2,-0.4 -0.862 27.6-154.8 -96.3 137.4 8.8 18.6 22.2 53 53 A Y E > -CD 43 58C 22 5,-2.3 5,-2.0 -2,-0.4 3,-0.4 -0.941 30.0 -30.4-126.8 136.5 6.8 15.8 20.6 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.8 -2,-0.4 30,-0.2 -0.098 97.3 -20.0 75.6-166.6 4.5 15.4 17.8 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.794 141.6 30.8 -53.1 -38.3 1.9 17.4 15.8 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.228 105.8-123.7-109.6 13.0 1.4 19.9 18.5 57 57 A Q T < 5 - 0 0 11 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.893 34.4-164.8 45.3 57.4 5.0 19.7 19.9 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-2.3 -6,-0.1 2,-0.2 -0.531 17.4-118.8 -76.5 131.8 3.9 18.9 23.5 59 59 A N E >>> -D 52 0C 31 -2,-0.3 4,-1.8 -7,-0.2 3,-0.6 -0.502 6.8-146.1 -80.2 140.0 6.7 19.4 26.0 60 60 A S T 345S+ 0 0 0 -9,-2.0 6,-0.2 -2,-0.2 9,-0.1 0.599 89.2 74.8 -77.0 -15.3 8.3 16.6 28.2 61 61 A R T 345S+ 0 0 65 -10,-0.1 12,-2.0 11,-0.1 -1,-0.2 0.860 121.1 1.6 -67.2 -30.9 8.9 18.9 31.2 62 62 A W T <45S+ 0 0 112 -3,-0.6 13,-2.9 10,-0.2 -2,-0.2 0.681 131.4 42.9-125.6 -31.9 5.2 19.0 32.2 63 63 A W T <5S+ 0 0 29 -4,-1.8 13,-2.0 11,-0.3 15,-0.3 0.759 106.5 17.7-100.2 -27.9 3.0 16.9 30.0 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.3 -1,-0.1 -0.953 67.2-112.2-145.0 163.3 4.5 13.5 29.1 65 65 A N B +e 79 0D 82 13,-2.5 15,-2.2 -2,-0.3 16,-0.4 -0.867 33.7 159.7-102.9 120.5 7.1 11.0 30.2 66 66 A D - 0 0 37 -2,-0.5 -1,-0.1 -6,-0.2 -6,-0.0 0.290 52.9-121.6-116.2 5.0 10.2 10.4 28.0 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.559 98.0 71.4 68.8 8.6 12.4 8.9 30.8 68 68 A R + 0 0 122 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.169 65.5 90.5-141.5 20.9 15.1 11.6 30.3 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.2 3,-0.0 -2,-0.1 -0.876 74.2-138.3-120.3 90.8 13.8 14.9 31.6 70 70 A P T 3 S+ 0 0 112 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.296 79.7 7.3 -52.4 128.7 14.9 14.9 35.3 71 71 A G T 3 S+ 0 0 68 1,-0.2 2,-0.2 -2,-0.0 -10,-0.0 0.758 91.3 150.6 71.6 30.5 12.2 16.2 37.7 72 72 A S < - 0 0 35 -3,-1.2 2,-0.3 -12,-0.0 -10,-0.2 -0.609 42.3-131.9 -96.8 151.6 9.4 16.5 35.2 73 73 A R - 0 0 114 -12,-2.0 2,-0.3 -2,-0.2 -9,-0.3 -0.664 8.9-146.7 -95.0 151.4 5.6 16.1 35.8 74 74 A N > + 0 0 52 -2,-0.3 3,-1.9 -11,-0.1 -11,-0.3 -0.558 29.3 166.3-118.3 67.1 3.7 13.8 33.5 75 75 A L T 3 S+ 0 0 86 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.665 74.2 46.7 -58.4 -26.2 0.4 15.7 33.5 76 76 A d T 3 S- 0 0 14 -13,-2.0 -1,-0.3 2,-0.2 -12,-0.1 0.413 104.2-132.3 -94.0 -3.4 -1.2 14.0 30.5 77 77 A N < + 0 0 134 -3,-1.9 -13,-0.1 1,-0.2 -2,-0.1 0.898 64.9 108.1 53.7 57.3 -0.2 10.6 32.0 78 78 A I S S- 0 0 36 -15,-0.3 -13,-2.5 16,-0.0 2,-0.3 -0.980 75.8 -99.4-155.4 156.2 1.3 9.1 28.8 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.635 36.7-123.3 -76.7 144.3 4.7 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-2.0 1,-0.3 4,-0.2 0.835 108.4 68.8 -57.8 -31.1 5.8 11.0 25.0 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.802 86.4 67.5 -57.9 -29.6 6.2 8.4 22.2 82 82 A A G X S+ 0 0 33 -3,-1.5 3,-0.9 1,-0.3 -1,-0.3 0.763 92.2 62.8 -61.5 -25.1 2.4 8.0 22.2 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.6 -4,-0.4 -1,-0.3 0.489 93.6 61.3 -78.6 -5.0 2.3 11.6 20.8 84 84 A L G < S+ 0 0 43 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.423 79.4 121.6-100.4 -0.8 4.2 10.6 17.7 85 85 A S S < S- 0 0 54 -3,-0.9 6,-0.1 -4,-0.2 -3,-0.0 -0.128 73.4-123.3 -61.3 156.6 1.5 8.2 16.5 86 86 A S S S+ 0 0 75 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.700 101.6 76.4 -72.4 -20.2 -0.4 8.5 13.2 87 87 A D S > S- 0 0 86 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.852 73.6-158.1 -91.8 118.1 -3.6 8.6 15.3 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-3.0 1,-0.2 3,-0.2 0.481 62.8 105.1 -78.4 -0.4 -3.8 12.1 16.8 89 89 A T H 3> S+ 0 0 40 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.889 81.3 45.8 -46.3 -53.3 -6.1 11.1 19.7 90 90 A A H <> S+ 0 0 27 -3,-0.5 4,-2.2 -8,-0.2 -1,-0.2 0.888 114.5 48.1 -60.2 -42.7 -3.4 11.2 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.918 113.9 47.8 -64.9 -41.7 -2.0 14.6 21.1 92 92 A V H X S+ 0 0 2 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.943 111.4 48.7 -64.5 -48.4 -5.6 16.0 21.0 93 93 A N H X S+ 0 0 86 -4,-3.1 4,-1.1 -5,-0.2 -1,-0.2 0.893 114.7 45.7 -59.4 -41.8 -6.5 14.8 24.5 94 94 A d H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 3,-0.3 0.896 108.6 55.7 -69.9 -37.8 -3.3 16.2 26.0 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.867 102.0 58.4 -62.2 -35.6 -3.7 19.5 24.1 96 96 A K H X S+ 0 0 46 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.888 107.7 45.6 -62.2 -39.0 -7.2 20.0 25.6 97 97 A K H < S+ 0 0 115 -4,-1.1 4,-0.4 -3,-0.3 3,-0.3 0.895 113.2 51.0 -69.9 -39.7 -5.6 19.8 29.1 98 98 A I H >< S+ 0 0 8 -4,-2.2 3,-1.9 1,-0.2 5,-0.3 0.967 109.1 48.8 -61.3 -52.1 -2.8 22.2 28.1 99 99 A V H 3< S+ 0 0 6 -4,-3.0 3,-0.4 1,-0.3 5,-0.3 0.679 109.5 53.4 -64.9 -17.9 -5.2 24.8 26.6 100 100 A S T 3< S+ 0 0 40 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.494 84.0 94.4 -91.3 -6.0 -7.4 24.8 29.7 101 101 A D S < S- 0 0 108 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 0.551 106.5 -94.0 -65.0 -13.8 -4.3 25.4 31.9 102 102 A G S S+ 0 0 64 -3,-0.4 -1,-0.1 -4,-0.2 -3,-0.1 -0.112 113.6 68.6 128.4 -41.1 -4.7 29.2 32.1 103 103 A N S > S- 0 0 119 -5,-0.3 3,-1.7 1,-0.3 4,-0.1 0.360 83.4-152.4 -93.1 5.3 -2.6 30.7 29.3 104 104 A G G > - 0 0 9 -5,-0.3 3,-1.3 1,-0.3 -1,-0.3 -0.242 65.5 -18.7 61.0-142.5 -4.8 29.3 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.1 7,-0.3 0.513 117.1 90.5 -77.8 0.0 -3.1 28.7 23.2 106 106 A N G < + 0 0 47 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.644 68.1 80.5 -67.4 -12.9 -0.3 31.1 24.2 107 107 A A G < S+ 0 0 55 -3,-1.3 2,-0.7 1,-0.1 -1,-0.3 0.743 83.0 70.7 -63.1 -23.3 1.3 27.8 25.6 108 108 A W S <> S- 0 0 9 -3,-1.9 4,-2.3 1,-0.2 3,-0.4 -0.868 72.8-160.1-100.8 109.9 2.3 27.2 22.0 109 109 A V H > S+ 0 0 78 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.851 91.0 51.6 -56.0 -42.1 5.1 29.7 21.0 110 110 A A H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 5,-0.5 0.864 109.4 51.0 -67.7 -33.1 4.5 29.3 17.2 111 111 A W H >>S+ 0 0 12 -3,-0.4 5,-3.2 -6,-0.2 4,-2.1 0.949 112.2 46.4 -66.0 -48.9 0.7 30.0 17.7 112 112 A R H <5S+ 0 0 106 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.912 121.7 37.0 -60.0 -41.2 1.5 33.1 19.7 113 113 A N H <5S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.747 133.0 18.6 -87.2 -22.8 4.0 34.4 17.2 114 114 A R H <5S+ 0 0 144 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.531 130.6 30.5-126.9 -10.3 2.6 33.3 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.1 3,-2.3 -5,-0.5 -3,-0.2 0.737 84.7 101.6-116.4 -44.2 -1.1 32.6 14.2 116 116 A K T 3 + 0 0 114 1,-0.2 3,-1.6 -2,-0.2 4,-0.2 -0.543 53.0 174.0 -80.7 83.6 -6.8 35.5 9.6 120 120 A V G > + 0 0 19 -2,-2.0 3,-1.7 1,-0.3 4,-0.3 0.697 64.8 77.8 -64.9 -20.1 -6.9 31.9 10.9 121 121 A Q G >> S+ 0 0 111 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.802 80.1 72.4 -61.4 -25.0 -10.0 31.0 8.9 122 122 A A G X4 S+ 0 0 32 -3,-1.6 3,-0.8 1,-0.3 -1,-0.3 0.809 84.5 67.4 -61.1 -27.3 -7.7 30.7 5.9 123 123 A W G <4 S+ 0 0 52 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.669 108.2 36.3 -68.7 -17.3 -6.3 27.5 7.2 124 124 A I G X4 S+ 0 0 37 -3,-1.8 3,-1.9 -4,-0.3 -1,-0.2 0.377 86.5 130.0-114.5 4.2 -9.6 25.7 6.8 125 125 A R T << S+ 0 0 136 -3,-0.8 3,-0.1 -4,-0.6 -119,-0.0 -0.264 76.1 15.2 -59.1 136.0 -10.6 27.5 3.5 126 126 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -120,-0.0 -1,-0.3 0.311 94.7 129.7 83.2 -9.2 -11.6 25.0 0.8 127 127 A a < - 0 0 21 -3,-1.9 2,-1.3 1,-0.1 -1,-0.2 -0.584 61.9-128.0 -86.5 142.7 -12.1 22.0 3.2 128 128 A R 0 0 246 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.717 360.0 360.0 -86.7 91.1 -15.2 19.8 3.3 129 129 A L 0 0 96 -2,-1.3 -1,-0.2 -5,-0.1 -2,-0.0 0.729 360.0 360.0-100.2 360.0 -15.8 20.0 7.0