==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-06 2I6Z . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR C.TEMPERINI,A.CASINI,L.MESSORI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6629.0 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 . 32 24.8 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 77 0, 0.0 39,-2.8 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 127.2 1.2 9.7 9.2 2 2 A V B -A 39 0A 103 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.875 360.0-147.9 -96.7 106.7 1.4 13.0 7.3 3 3 A F - 0 0 15 35,-2.7 2,-0.1 -2,-0.8 3,-0.0 -0.421 9.2-121.5 -72.3 146.0 -2.2 14.3 7.4 4 4 A G > - 0 0 35 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.468 31.5-109.4 -74.2 160.0 -3.7 16.4 4.7 5 5 A R H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.954 118.7 35.3 -59.8 -55.9 -5.0 19.8 5.7 6 6 A a H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.826 114.9 59.7 -67.9 -31.2 -8.7 19.1 5.4 7 7 A E H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.911 108.2 43.3 -61.4 -44.8 -8.1 15.5 6.6 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.855 111.2 56.2 -70.4 -34.1 -6.6 16.8 9.9 9 9 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.910 108.1 48.0 -59.7 -44.3 -9.5 19.3 10.2 10 10 A A H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.898 113.6 46.0 -64.6 -44.3 -12.1 16.5 9.9 11 11 A A H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.894 111.9 50.9 -66.7 -42.4 -10.4 14.3 12.5 12 12 A M H <>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 6,-0.3 0.910 113.3 46.3 -61.5 -42.5 -9.9 17.2 14.9 13 13 A K H ><5S+ 0 0 84 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.908 110.3 51.6 -64.6 -46.5 -13.6 18.1 14.6 14 14 A R H 3<5S+ 0 0 183 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 109.7 51.7 -59.9 -35.4 -14.7 14.6 15.0 15 15 A H T 3<5S- 0 0 32 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.442 123.5-106.4 -82.2 -3.6 -12.6 14.4 18.2 16 16 A G T < 5S+ 0 0 35 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.711 81.0 125.5 91.2 24.1 -14.3 17.6 19.5 17 17 A L > < + 0 0 0 -5,-2.6 3,-2.4 -6,-0.1 2,-0.2 0.738 40.0 105.9 -83.7 -24.1 -11.6 20.2 19.1 18 18 A D T 3 S- 0 0 54 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.418 104.6 -6.2 -61.2 119.3 -13.7 22.7 17.1 19 19 A N T > S+ 0 0 100 4,-1.3 3,-2.0 -2,-0.2 2,-0.3 0.620 92.0 163.1 66.9 14.9 -14.5 25.5 19.5 20 20 A Y B X S-B 23 0B 68 -3,-2.4 3,-2.1 3,-0.8 -1,-0.2 -0.524 78.3 -6.3 -67.2 128.2 -12.9 23.6 22.4 21 21 A R T 3 S- 0 0 162 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.773 134.7 -60.5 49.0 30.2 -12.3 26.1 25.2 22 22 A G T < S+ 0 0 67 -3,-2.0 2,-0.7 1,-0.2 -1,-0.3 0.439 104.2 132.9 83.9 2.4 -13.5 28.7 22.6 23 23 A Y B < -B 20 0B 49 -3,-2.1 -4,-1.3 -6,-0.1 -3,-0.8 -0.785 52.8-132.4 -92.6 115.3 -10.7 28.0 20.1 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.4 -5,-0.2 4,-1.0 -0.157 25.0-104.4 -63.8 158.8 -12.1 27.6 16.5 25 25 A L H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.823 119.0 61.5 -51.0 -39.9 -11.0 24.7 14.3 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.799 99.7 55.7 -61.7 -32.3 -8.7 26.9 12.3 27 27 A N H <> S+ 0 0 21 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.865 109.6 45.2 -63.6 -41.9 -6.7 27.7 15.4 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.4 -2,-0.2 0.906 114.2 47.5 -71.8 -45.0 -6.0 24.0 16.0 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.918 112.6 50.7 -59.6 -45.1 -5.2 23.2 12.4 30 30 A b H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.904 109.8 49.8 -58.5 -44.3 -2.9 26.3 12.3 31 31 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.947 111.8 47.8 -62.2 -48.8 -1.1 25.1 15.5 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 6,-1.1 0.893 107.8 57.7 -57.2 -42.6 -0.6 21.6 14.1 33 33 A K H X5S+ 0 0 61 -4,-2.5 4,-1.5 4,-0.2 -1,-0.2 0.944 116.6 31.9 -53.9 -52.9 0.7 23.1 10.8 34 34 A F H <5S+ 0 0 60 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.669 121.2 50.0 -86.9 -17.4 3.5 25.0 12.5 35 35 A E H <5S- 0 0 33 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.904 138.8 -5.8 -80.1 -44.2 4.2 22.5 15.4 36 36 A S H ><5S- 0 0 10 -4,-2.8 3,-1.4 19,-0.4 -3,-0.2 0.433 81.6-119.6-131.8 -5.9 4.4 19.4 13.2 37 37 A N T 3< - 0 0 54 4,-3.5 3,-2.0 -2,-0.2 -1,-0.0 -0.735 23.1-115.0 -99.0 154.6 14.0 20.9 23.9 47 47 A T T 3 S+ 0 0 156 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.822 114.2 61.8 -54.7 -34.7 17.0 22.7 25.5 48 48 A D T 3 S- 0 0 75 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.402 123.7-100.8 -77.5 2.1 15.8 21.7 29.0 49 49 A G S < S+ 0 0 19 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.1 0.252 87.7 117.3 97.8 -13.0 16.1 18.0 28.1 50 50 A S - 0 0 0 19,-0.1 -4,-3.5 -5,-0.1 -1,-0.4 -0.283 53.8-140.6 -78.5 171.3 12.4 17.4 27.4 51 51 A T E -C 45 0C 2 -6,-0.3 9,-1.5 -3,-0.1 2,-0.3 -0.989 4.2-135.3-135.8 143.3 11.1 16.3 24.0 52 52 A D E -CD 44 59C 24 -8,-2.9 -8,-1.8 -2,-0.4 2,-0.4 -0.798 25.9-158.7 -97.2 144.4 7.9 17.4 22.1 53 53 A Y E > -CD 43 58C 23 5,-1.7 5,-2.4 -2,-0.3 3,-0.4 -0.977 30.5 -21.3-133.3 132.5 5.9 14.7 20.4 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.9 -2,-0.4 30,-0.2 -0.125 99.0 -21.1 87.6-168.1 3.4 14.4 17.6 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.725 142.2 29.7 -53.4 -31.2 0.9 16.5 15.7 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.121 106.5-120.8-121.0 16.5 0.7 19.1 18.5 57 57 A Q T < 5 - 0 0 11 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.890 36.2-164.3 47.3 57.9 4.3 18.7 19.8 58 58 A I E < -D 53 0C 2 -5,-2.4 -5,-1.7 -6,-0.1 -1,-0.2 -0.601 16.3-120.7 -81.2 135.1 3.2 17.8 23.4 59 59 A N E >> -D 52 0C 25 -2,-0.3 4,-1.4 -7,-0.2 5,-1.1 -0.430 4.6-142.3 -90.6 147.3 6.1 18.0 25.9 60 60 A S T 45S+ 0 0 0 -9,-1.5 6,-0.3 3,-0.2 9,-0.2 0.554 90.6 70.9 -85.0 -9.2 7.5 15.3 28.1 61 61 A R T 45S+ 0 0 58 11,-0.2 12,-3.7 -10,-0.1 -1,-0.2 0.921 120.8 4.9 -72.4 -46.6 8.2 17.4 31.2 62 62 A W T 45S+ 0 0 142 10,-0.2 13,-2.5 -3,-0.2 -2,-0.2 0.801 134.0 35.7-101.4 -36.6 4.5 17.9 32.2 63 63 A W T <5S+ 0 0 30 -4,-1.4 13,-2.4 11,-0.3 15,-0.4 0.856 108.3 19.9-104.4 -42.2 2.3 15.9 29.9 64 64 A c < - 0 0 0 -5,-1.1 2,-0.5 9,-0.2 -1,-0.2 -0.930 67.5-116.1-132.1 158.3 3.6 12.5 28.7 65 65 A N B +e 79 0D 72 13,-2.3 15,-2.7 -2,-0.3 16,-0.4 -0.825 34.1 159.2 -97.5 127.1 6.2 10.0 29.8 66 66 A D - 0 0 37 -2,-0.5 -1,-0.1 -6,-0.3 -6,-0.0 0.227 53.7-120.4-123.2 8.4 9.2 9.1 27.7 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.364 97.8 73.1 75.3 -4.0 11.5 7.8 30.5 68 68 A R + 0 0 123 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.234 65.1 93.8-129.0 12.4 14.3 10.3 29.9 69 69 A T S > S- 0 0 7 -9,-0.2 3,-1.3 4,-0.0 -2,-0.1 -0.877 70.3-137.1-112.3 100.2 13.0 13.7 31.3 70 70 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.237 85.3 12.4 -62.0 142.8 14.1 14.1 34.9 71 71 A G T 3 S+ 0 0 78 1,-0.2 2,-0.1 0, 0.0 -10,-0.0 0.718 95.9 160.6 66.7 23.6 11.5 15.5 37.3 72 72 A S < - 0 0 37 -3,-1.3 2,-0.3 2,-0.0 -10,-0.2 -0.416 31.1-152.5 -80.0 149.0 8.8 14.9 34.7 73 73 A R - 0 0 137 -12,-3.7 -9,-0.2 -2,-0.1 2,-0.1 -0.718 6.7-151.7-105.7 168.0 5.1 14.6 35.3 74 74 A N > + 0 0 47 -2,-0.3 3,-1.4 -11,-0.1 -11,-0.3 -0.613 27.7 162.2-139.1 68.4 2.8 12.6 33.1 75 75 A L T 3 S+ 0 0 67 -13,-2.5 -12,-0.2 1,-0.3 -11,-0.1 0.702 76.6 51.7 -72.4 -19.9 -0.5 14.5 33.5 76 76 A d T 3 S- 0 0 12 -13,-2.4 -1,-0.3 2,-0.2 -12,-0.1 0.506 104.4-134.7 -88.9 -3.2 -2.0 13.0 30.4 77 77 A N < + 0 0 138 -3,-1.4 -13,-0.1 -14,-0.3 -2,-0.1 0.923 63.2 114.9 48.1 55.0 -1.1 9.6 31.8 78 78 A I S S- 0 0 33 -15,-0.4 -13,-2.3 16,-0.0 2,-0.2 -0.991 73.3-105.3-145.3 148.1 0.2 8.3 28.4 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.547 34.1-125.7 -65.1 142.7 3.6 7.2 27.0 80 80 A c G > S+ 0 0 0 -15,-2.7 3,-2.0 1,-0.3 -14,-0.1 0.856 108.9 66.2 -61.5 -32.7 4.9 10.0 24.7 81 81 A S G > S+ 0 0 85 -16,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.787 88.9 66.4 -60.0 -28.5 5.2 7.4 21.9 82 82 A A G X S+ 0 0 31 -3,-1.2 3,-0.8 1,-0.3 -1,-0.3 0.697 90.4 65.5 -64.9 -18.8 1.4 7.1 21.9 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.6 -4,-0.3 -1,-0.3 0.412 93.2 62.0 -81.9 1.9 1.3 10.7 20.7 84 84 A L G < S+ 0 0 40 -3,-1.7 -1,-0.2 -30,-0.2 -2,-0.2 0.408 77.6 120.0-107.6 0.2 3.0 9.6 17.4 85 85 A S S < S- 0 0 57 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.191 74.5-120.5 -65.3 155.0 0.2 7.2 16.2 86 86 A S S S+ 0 0 69 1,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.769 103.9 73.7 -63.7 -28.4 -1.7 7.7 13.0 87 87 A D S > S- 0 0 89 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.832 74.5-157.5 -89.8 117.4 -4.8 7.9 15.2 88 88 A I T 3> + 0 0 4 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.374 61.2 108.1 -82.0 4.4 -4.8 11.3 16.9 89 89 A T H 3> S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 80.7 46.6 -49.3 -51.2 -7.1 10.4 19.9 90 90 A A H <> S+ 0 0 22 -3,-0.6 4,-1.9 -8,-0.3 -1,-0.2 0.884 113.3 49.1 -63.2 -40.3 -4.3 10.4 22.4 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.894 113.1 47.9 -63.0 -41.2 -2.9 13.8 21.2 92 92 A V H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.922 110.2 50.5 -68.9 -45.3 -6.4 15.3 21.2 93 93 A N H X S+ 0 0 82 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.909 115.3 44.0 -55.4 -45.7 -7.2 14.1 24.8 94 94 A d H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 3,-0.4 0.909 109.3 55.4 -69.5 -41.9 -3.9 15.5 26.0 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.845 103.3 57.1 -60.1 -35.5 -4.3 18.8 24.1 96 96 A K H X S+ 0 0 46 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.873 108.9 46.0 -60.5 -39.9 -7.7 19.3 25.8 97 97 A K H < S+ 0 0 99 -4,-1.1 3,-0.5 -3,-0.4 -2,-0.2 0.939 113.5 49.1 -67.5 -46.9 -5.9 19.0 29.2 98 98 A I H >< S+ 0 0 8 -4,-2.4 3,-1.7 1,-0.2 5,-0.3 0.927 111.1 47.6 -58.5 -49.8 -3.1 21.4 28.1 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.5 1,-0.3 3,-0.4 0.694 109.8 55.0 -69.3 -19.2 -5.4 24.1 26.7 100 100 A S T 3< S+ 0 0 34 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.337 81.5 94.5 -90.9 4.7 -7.6 23.9 29.9 101 101 A D S < S- 0 0 114 -3,-1.7 -1,-0.2 3,-0.2 -2,-0.1 0.611 107.6 -91.0 -80.6 -15.4 -4.5 24.6 32.1 102 102 A G S S+ 0 0 64 -3,-0.4 -3,-0.1 -4,-0.2 -2,-0.1 0.011 113.9 69.8 135.0 -30.3 -5.0 28.4 32.3 103 103 A N S > S- 0 0 121 -5,-0.3 3,-1.5 1,-0.3 4,-0.1 0.282 83.1-147.9-101.8 13.0 -3.1 30.0 29.5 104 104 A G G > - 0 0 11 -5,-0.5 3,-1.2 1,-0.2 -1,-0.3 -0.263 67.6 -18.6 57.3-140.6 -5.3 28.7 26.7 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.561 116.8 90.6 -76.7 -7.4 -3.6 28.1 23.4 106 106 A N G < + 0 0 51 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.693 68.1 79.8 -58.3 -19.5 -0.6 30.2 24.5 107 107 A A G < S+ 0 0 54 -3,-1.2 2,-1.0 1,-0.2 -1,-0.3 0.838 83.9 67.6 -56.1 -32.3 0.8 27.0 25.8 108 108 A W S <> S- 0 0 9 -3,-2.1 4,-2.3 1,-0.2 3,-0.5 -0.798 74.1-166.7 -89.3 101.3 1.8 26.4 22.2 109 109 A V H > S+ 0 0 88 -2,-1.0 4,-2.9 1,-0.3 5,-0.2 0.864 88.4 54.7 -60.3 -36.9 4.4 29.0 21.6 110 110 A A H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 5,-0.4 0.837 106.4 52.0 -64.1 -36.1 4.2 28.5 17.8 111 111 A W H >>S+ 0 0 11 -3,-0.5 5,-2.8 -6,-0.2 4,-2.5 0.949 112.5 45.4 -60.6 -49.7 0.5 29.1 18.0 112 112 A R H <5S+ 0 0 116 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.920 119.9 40.1 -60.0 -46.0 1.1 32.4 19.9 113 113 A N H <5S+ 0 0 107 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.709 133.1 17.7 -78.2 -22.7 3.9 33.4 17.5 114 114 A R H <5S+ 0 0 140 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.593 131.1 29.2-127.3 -17.6 2.4 32.3 14.2 115 115 A b T ><5S+ 0 0 0 -4,-2.5 3,-2.1 -5,-0.4 -3,-0.2 0.770 85.1 99.5-115.5 -44.5 -1.4 31.8 14.6 116 116 A K T 3 + 0 0 116 1,-0.2 3,-1.4 -2,-0.1 4,-0.2 -0.499 54.7 170.2 -72.8 78.2 -7.0 34.8 9.8 120 120 A V G > + 0 0 17 -2,-2.2 3,-2.1 1,-0.3 4,-0.3 0.747 64.6 73.9 -68.6 -25.4 -7.0 31.2 11.2 121 121 A Q G > S+ 0 0 108 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.777 81.2 74.1 -59.7 -25.5 -10.2 30.3 9.2 122 122 A A G X S+ 0 0 36 -3,-1.4 3,-1.0 1,-0.3 -1,-0.3 0.795 84.9 66.0 -55.8 -28.4 -8.0 30.3 6.2 123 123 A W G < S+ 0 0 53 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.740 106.5 40.1 -69.1 -20.9 -6.6 26.9 7.5 124 124 A I G X S+ 0 0 41 -3,-1.6 3,-1.5 -4,-0.3 -1,-0.2 0.293 84.4 132.4-110.8 10.3 -10.0 25.3 7.0 125 125 A R T < S+ 0 0 132 -3,-1.0 3,-0.1 -4,-0.3 -119,-0.1 -0.349 74.4 15.4 -60.5 137.0 -10.9 26.9 3.6 126 126 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.297 95.6 131.2 84.0 -9.4 -12.2 24.5 1.0 127 127 A a < - 0 0 23 -3,-1.5 2,-1.6 1,-0.1 -1,-0.3 -0.607 60.5-135.2 -84.2 134.0 -12.8 21.7 3.5 128 128 A R 0 0 244 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 -0.664 360.0 360.0 -77.7 84.1 -16.1 19.8 3.7 129 129 A L 0 0 86 -2,-1.6 -1,-0.2 -5,-0.1 -2,-0.0 0.776 360.0 360.0-103.7 360.0 -16.3 20.1 7.5