==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-07 3B6L . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR C.MICHAUX,J.POUYEZ,J.WOUTERS,G.G.PRIVE . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 9 7.0 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 . 31 24.0 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 2 0 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 2001 A K 0 0 80 0, 0.0 39,-2.6 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 144.6 28.7 40.6 37.4 2 2002 A V B -A 39 0A 103 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.825 360.0-153.1 -99.8 94.4 25.4 40.6 35.5 3 2003 A F - 0 0 15 35,-2.3 2,-0.1 -2,-0.9 83,-0.0 -0.340 12.4-121.4 -62.9 144.0 24.1 37.0 35.4 4 2004 A G > - 0 0 38 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.414 33.1-106.4 -74.5 161.2 21.9 35.6 32.7 5 2005 A R H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.924 117.8 36.9 -55.2 -54.5 18.5 34.2 33.9 6 2006 A a H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.811 113.9 56.3 -72.7 -36.0 19.4 30.5 33.5 7 2007 A E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.952 109.6 46.9 -60.0 -46.0 23.0 30.9 34.6 8 2008 A L H X S+ 0 0 0 -4,-2.5 4,-4.1 1,-0.2 5,-0.2 0.937 109.4 53.0 -62.6 -46.6 21.8 32.5 37.9 9 2009 A A H X S+ 0 0 0 -4,-1.9 4,-3.7 1,-0.2 5,-0.3 0.928 109.3 50.4 -49.9 -47.8 19.2 29.8 38.5 10 2010 A A H X S+ 0 0 40 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.938 113.7 44.1 -62.8 -43.8 21.9 27.1 38.0 11 2011 A A H X S+ 0 0 16 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.952 115.3 48.4 -63.2 -48.7 24.1 28.9 40.5 12 2012 A M H <>S+ 0 0 1 -4,-4.1 5,-2.0 1,-0.2 6,-0.3 0.939 117.0 42.5 -53.5 -50.9 21.2 29.4 42.9 13 2013 A K H ><5S+ 0 0 82 -4,-3.7 3,-0.9 1,-0.2 -1,-0.2 0.730 109.6 58.3 -70.6 -27.7 20.3 25.8 42.5 14 2014 A R H 3<5S+ 0 0 179 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.869 105.2 51.7 -65.0 -37.9 23.9 24.8 42.7 15 2015 A H T 3<5S- 0 0 40 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.150 124.0 -99.5 -87.5 15.6 24.1 26.4 46.2 16 2016 A G T < 5S+ 0 0 39 -3,-0.9 -3,-0.2 -5,-0.1 -2,-0.1 0.785 87.0 124.7 75.3 28.1 21.1 24.6 47.7 17 2017 A L > < + 0 0 0 -5,-2.0 3,-1.4 -6,-0.2 2,-0.2 0.710 38.7 104.1 -93.1 -20.5 18.6 27.5 47.1 18 2018 A D T 3 S- 0 0 56 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.455 105.3 -9.1 -57.6 125.4 16.1 25.4 45.1 19 2019 A N T > S+ 0 0 98 4,-0.8 3,-2.1 -2,-0.2 -1,-0.3 0.534 91.7 162.1 61.4 7.0 13.2 24.7 47.5 20 2020 A Y B X S-B 23 0B 70 -3,-1.4 3,-2.4 3,-0.6 -1,-0.2 -0.395 76.0 -6.5 -58.0 129.4 15.1 26.1 50.5 21 2021 A R T 3 S- 0 0 147 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.622 136.4 -56.4 61.6 12.8 12.7 26.8 53.3 22 2022 A G T < S+ 0 0 62 -3,-2.1 2,-0.8 1,-0.2 -1,-0.3 0.200 106.6 122.5 102.8 -11.2 9.9 26.0 50.8 23 2023 A Y B < -B 20 0B 49 -3,-2.4 -4,-0.8 -6,-0.1 -3,-0.6 -0.737 53.6-139.6 -98.0 116.7 10.7 28.4 48.0 24 2024 A S >> - 0 0 40 -2,-0.8 3,-1.4 -5,-0.3 4,-1.0 -0.097 32.6 -95.9 -59.2 159.2 11.4 26.8 44.6 25 2025 A L H 3> S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 3,-0.3 0.827 122.6 61.7 -43.7 -46.9 14.1 28.1 42.3 26 2026 A G H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.846 101.0 56.1 -56.7 -35.4 11.7 30.3 40.4 27 2027 A N H <> S+ 0 0 23 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.925 110.0 41.8 -59.6 -51.7 11.0 32.2 43.6 28 2028 A W H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.3 -2,-0.2 0.844 117.2 48.5 -66.0 -38.8 14.7 33.1 44.3 29 2029 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.888 108.0 54.1 -70.1 -35.7 15.3 33.9 40.6 30 2030 A b H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.902 110.3 47.7 -65.8 -41.8 12.2 36.1 40.4 31 2031 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.789 109.3 53.1 -61.1 -40.7 13.5 38.1 43.4 32 2032 A A H X>S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-1.2 0.965 109.0 49.8 -62.2 -55.6 17.0 38.5 42.0 33 2033 A K H X5S+ 0 0 58 -4,-2.5 4,-1.2 4,-0.3 -2,-0.2 0.933 119.8 35.5 -45.0 -56.6 15.6 39.9 38.7 34 2034 A F H <5S+ 0 0 52 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.597 120.7 47.5 -86.6 -11.5 13.4 42.4 40.5 35 2035 A E H <5S- 0 0 31 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.2 0.916 139.4 -6.6 -88.6 -46.1 15.8 43.2 43.4 36 2036 A S H ><5S- 0 0 8 -4,-2.7 3,-1.3 19,-0.5 -3,-0.2 0.284 86.7-116.7-131.6 -2.8 19.1 43.7 41.5 37 2037 A N T 3< - 0 0 52 4,-2.7 3,-2.0 -2,-0.4 -1,-0.0 -0.487 23.5-110.8 -86.8 156.1 17.4 53.3 52.2 47 2047 A T T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.868 116.5 60.8 -45.8 -45.0 15.8 56.3 53.8 48 2048 A D T 3 S- 0 0 81 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.438 123.5-102.0 -72.7 5.0 16.9 55.1 57.3 49 2049 A G S < S+ 0 0 16 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.377 86.2 120.5 91.7 -5.8 20.6 55.3 56.2 50 2050 A S - 0 0 0 19,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.335 51.8-141.5 -83.2 176.5 21.0 51.6 55.6 51 2051 A T E -C 45 0C 1 -6,-0.3 9,-1.8 -3,-0.1 2,-0.5 -0.997 4.3-137.3-140.2 140.5 22.0 50.1 52.2 52 2052 A D E -CD 44 59C 24 -8,-2.7 -8,-1.9 -2,-0.3 2,-0.3 -0.867 27.7-163.5 -96.1 133.7 20.9 47.0 50.3 53 2053 A Y E > -CD 43 58C 23 5,-2.0 5,-2.2 -2,-0.5 3,-0.4 -0.876 29.9 -7.6-121.5 141.7 23.7 45.1 48.7 54 2054 A G T > 5S- 0 0 0 -12,-1.7 3,-1.2 -2,-0.3 30,-0.2 0.020 97.9 -29.5 90.5-179.7 24.1 42.5 46.0 55 2055 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.5 -15,-0.3 -17,-0.4 0.796 143.5 29.5 -46.3 -33.9 22.2 40.1 43.8 56 2056 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.216 106.5-120.9-120.2 9.9 19.5 39.9 46.6 57 2057 A Q T < 5 - 0 0 11 -3,-1.2 2,-0.3 1,-0.2 -3,-0.3 0.910 34.1-162.8 54.8 46.1 19.9 43.4 48.1 58 2058 A I E < -D 53 0C 2 -5,-2.2 -5,-2.0 -6,-0.1 -1,-0.2 -0.548 19.7-119.8 -66.0 124.9 20.7 42.1 51.6 59 2059 A N E >>> -D 52 0C 34 -2,-0.3 4,-1.7 -7,-0.2 3,-1.0 -0.392 7.4-144.7 -78.2 138.2 20.2 45.0 54.0 60 2060 A S T 345S+ 0 0 0 -9,-1.8 6,-0.2 1,-0.2 7,-0.1 0.675 89.9 79.6 -79.9 -13.1 23.0 46.4 56.2 61 2061 A R T 345S+ 0 0 69 11,-0.2 12,-2.2 -10,-0.1 -1,-0.2 0.746 118.0 0.1 -62.9 -18.2 20.6 47.1 59.1 62 2062 A W T <45S+ 0 0 133 -3,-1.0 13,-3.9 10,-0.2 -2,-0.2 0.677 131.2 37.7-136.7 -39.6 20.8 43.4 60.1 63 2063 A W T <5S+ 0 0 22 -4,-1.7 13,-1.3 11,-0.3 15,-0.5 0.627 107.1 35.5-106.5 -20.0 22.9 41.0 58.1 64 2064 A c < - 0 0 0 -5,-0.7 2,-0.6 9,-0.4 -1,-0.1 -0.975 64.7-125.9-142.5 154.8 26.1 42.8 57.1 65 2065 A N B +e 79 0D 87 13,-2.2 15,-2.6 -2,-0.3 16,-0.4 -0.895 33.8 154.4 -97.9 121.8 28.6 45.4 58.2 66 2066 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 -6,-0.0 0.392 55.2-120.3-119.9 -9.7 29.3 48.4 56.0 67 2067 A G S S+ 0 0 66 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.574 97.3 74.0 89.2 7.9 30.4 50.9 58.6 68 2068 A R + 0 0 109 1,-0.1 -1,-0.0 -17,-0.0 -3,-0.0 0.193 66.8 89.2-140.0 14.8 27.8 53.5 58.0 69 2069 A T > - 0 0 6 -9,-0.1 3,-2.2 3,-0.0 -2,-0.1 -0.698 69.3-150.5-113.4 78.1 24.6 51.9 59.5 70 2070 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.093 77.8 10.0 -49.7 142.8 24.7 53.1 63.1 71 2071 A G T 3 S+ 0 0 83 1,-0.2 -10,-0.0 0, 0.0 2,-0.0 0.366 99.2 135.3 67.5 -4.2 23.0 50.8 65.6 72 2072 A S < - 0 0 33 -3,-2.2 2,-0.2 1,-0.1 -10,-0.2 -0.240 48.9-128.2 -71.5 165.5 22.7 48.1 63.0 73 2073 A R - 0 0 152 -12,-2.2 -9,-0.4 -3,-0.1 2,-0.1 -0.639 1.6-146.6-107.8 165.3 23.5 44.4 63.4 74 2074 A N > + 0 0 52 -2,-0.2 3,-1.4 -11,-0.2 -11,-0.3 -0.514 29.6 165.1-131.0 63.1 25.7 42.1 61.3 75 2075 A L T 3 S+ 0 0 75 -13,-3.9 -12,-0.2 1,-0.3 -11,-0.1 0.691 71.2 49.1 -62.2 -30.8 23.9 38.7 61.6 76 2076 A d T 3 S- 0 0 15 -13,-1.3 -1,-0.3 2,-0.2 -13,-0.1 0.117 109.1-120.8 -98.9 27.5 25.5 36.7 58.8 77 2077 A N < + 0 0 141 -3,-1.4 -2,-0.1 1,-0.1 -13,-0.1 0.855 69.1 117.7 41.7 58.2 29.0 37.7 60.2 78 2078 A I - 0 0 41 -15,-0.5 -13,-2.2 -4,-0.1 2,-0.3 -0.998 70.0-105.2-154.4 149.2 30.1 39.4 57.0 79 2079 A P B > -e 65 0D 66 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.593 34.6-129.1 -71.2 131.8 31.3 42.7 55.3 80 2080 A c G > S+ 0 0 1 -15,-2.6 3,-1.5 -2,-0.3 -14,-0.2 0.768 106.4 67.9 -55.8 -26.9 28.5 44.0 53.1 81 2081 A S G > S+ 0 0 87 -16,-0.4 3,-2.2 1,-0.3 4,-0.3 0.838 86.2 67.6 -62.6 -30.6 31.1 44.3 50.3 82 2082 A A G X S+ 0 0 30 -3,-2.3 3,-0.8 1,-0.3 8,-0.3 0.763 90.0 66.5 -58.8 -19.0 31.3 40.5 50.2 83 2083 A L G < S+ 0 0 2 -3,-1.5 -28,-0.6 -4,-0.4 -1,-0.3 0.429 93.4 60.2 -80.6 0.5 27.6 40.7 48.9 84 2084 A L G < S+ 0 0 41 -3,-2.2 -1,-0.2 -30,-0.2 -2,-0.2 0.487 78.5 119.1-109.2 -5.7 28.8 42.3 45.7 85 2085 A S S < S- 0 0 58 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.079 74.2-121.0 -60.4 156.5 31.1 39.5 44.4 86 2086 A S S S+ 0 0 72 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.740 104.7 76.7 -67.3 -25.9 30.8 37.7 41.1 87 2087 A D S > S- 0 0 89 1,-0.1 3,-0.6 -5,-0.1 4,-0.3 -0.828 72.6-161.9 -88.4 112.1 30.6 34.6 43.4 88 2088 A I T 3> + 0 0 3 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.356 59.3 108.7 -77.9 5.9 27.0 34.7 44.9 89 2089 A T H 3> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 77.9 45.0 -55.6 -46.1 28.0 32.3 47.7 90 2090 A A H <> S+ 0 0 20 -3,-0.6 4,-2.6 -8,-0.3 5,-0.3 0.950 113.2 52.2 -67.5 -40.4 27.9 34.8 50.5 91 2091 A S H > S+ 0 0 3 -4,-0.3 4,-3.2 -9,-0.3 -2,-0.2 0.962 111.3 46.3 -57.6 -53.6 24.6 36.2 49.2 92 2092 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.936 111.5 51.3 -53.6 -53.7 23.0 32.8 49.1 93 2093 A N H X S+ 0 0 86 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.884 114.9 42.5 -50.3 -46.8 24.2 31.9 52.6 94 2094 A d H >X S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.2 3,-0.8 0.863 107.9 60.2 -71.9 -35.5 22.9 35.1 54.1 95 2095 A A H 3X S+ 0 0 0 -4,-3.2 4,-3.2 -5,-0.3 -2,-0.2 0.896 102.1 55.3 -53.4 -39.8 19.7 34.7 52.1 96 2096 A K H 3< S+ 0 0 36 -4,-2.2 4,-0.3 2,-0.2 -1,-0.3 0.756 109.7 45.0 -66.2 -29.4 19.3 31.4 53.9 97 2097 A K H << S+ 0 0 97 -3,-0.8 3,-0.5 -4,-0.7 4,-0.3 0.871 115.1 46.3 -82.3 -43.0 19.5 33.2 57.3 98 2098 A I H >< S+ 0 0 6 -4,-3.0 3,-2.8 1,-0.2 4,-0.3 0.989 110.1 53.4 -57.1 -57.1 17.2 36.0 56.3 99 2099 A V T 3< S+ 0 0 1 -4,-3.2 5,-0.2 1,-0.3 -1,-0.2 0.622 110.1 49.7 -58.3 -16.3 14.6 33.6 54.8 100 2100 A S T 3 S+ 0 0 33 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.431 81.1 97.9 -98.2 -3.1 14.6 31.7 58.1 101 2101 A D S < S- 0 0 114 -3,-2.8 -2,-0.1 -4,-0.3 -1,-0.1 0.775 106.1 -90.9 -63.5 -29.2 14.1 34.7 60.3 102 2102 A G S S+ 0 0 63 -4,-0.3 -1,-0.1 -3,-0.2 3,-0.1 0.053 115.1 69.9 145.2 -29.9 10.3 34.2 60.5 103 2103 A N S > S- 0 0 114 1,-0.3 3,-1.6 -5,-0.3 -4,-0.1 0.344 84.8-145.7 -98.1 10.1 8.6 36.1 57.7 104 2104 A G G > - 0 0 12 1,-0.3 3,-1.0 -5,-0.2 -1,-0.3 -0.360 68.1 -18.9 62.5-137.9 9.9 33.8 55.0 105 2105 A M G > S+ 0 0 0 1,-0.2 3,-1.8 2,-0.1 7,-0.3 0.498 114.3 94.1 -85.3 0.8 10.7 35.6 51.7 106 2106 A N G < + 0 0 50 -3,-1.6 -1,-0.2 1,-0.3 6,-0.2 0.794 65.7 81.6 -58.0 -22.0 8.5 38.5 52.7 107 2107 A A G < S+ 0 0 62 -3,-1.0 2,-1.1 1,-0.2 -1,-0.3 0.846 83.9 64.7 -49.5 -33.5 11.9 40.0 54.0 108 2108 A W S X> S- 0 0 9 -3,-1.8 3,-2.7 1,-0.2 4,-1.4 -0.756 76.5-165.9 -94.3 90.9 12.4 40.9 50.3 109 2109 A V H 3> S+ 0 0 86 -2,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.782 86.5 56.2 -47.4 -37.4 9.5 43.4 49.8 110 2110 A A H 3> S+ 0 0 17 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.651 102.0 57.0 -75.1 -15.2 9.9 43.3 46.0 111 2111 A W H <>>S+ 0 0 14 -3,-2.7 5,-3.2 -6,-0.3 4,-2.2 0.895 111.7 41.2 -75.9 -42.7 9.4 39.5 46.1 112 2112 A R H <5S+ 0 0 113 -4,-1.4 -2,-0.2 -7,-0.3 -3,-0.1 0.856 120.1 44.6 -74.6 -33.0 6.1 39.8 47.8 113 2113 A N H <5S+ 0 0 114 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.770 133.1 15.9 -81.0 -24.6 5.1 42.8 45.7 114 2114 A R H <5S+ 0 0 144 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.437 134.8 27.4-129.6 0.9 6.2 41.3 42.4 115 2115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.0 3,-0.1 -3,-0.2 0.695 84.9 99.9-128.3 -44.8 6.7 37.6 42.8 116 2116 A K T 3 + 0 0 14 -2,-2.2 3,-1.3 -5,-0.2 2,-1.0 0.712 60.1 87.3 -62.8 -18.8 7.3 32.0 39.5 121 2121 A Q T 3 S+ 0 0 144 1,-0.2 -1,-0.1 -3,-0.2 -96,-0.0 -0.772 74.7 61.8 -77.2 101.5 7.8 28.9 37.3 122 2122 A A T 3 S+ 0 0 46 -2,-1.0 -1,-0.2 3,-0.0 -2,-0.1 -0.116 84.7 75.8 165.3 -32.9 8.7 30.8 34.1 123 2123 A W S < S+ 0 0 54 -3,-1.3 -114,-0.2 1,-0.2 -2,-0.2 0.735 108.8 32.2 -66.5 -28.2 11.8 32.4 35.6 124 2124 A I S > S+ 0 0 49 -4,-0.3 3,-1.7 -115,-0.1 -1,-0.2 0.217 91.1 134.4-109.4 5.5 13.5 29.0 35.2 125 2125 A R T 3 S+ 0 0 201 1,-0.3 3,-0.1 -3,-0.1 -119,-0.0 -0.324 77.1 7.8 -55.2 133.7 11.5 28.1 32.1 126 2126 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -120,-0.0 2,-0.2 0.297 92.9 135.6 80.3 -14.9 13.8 26.6 29.5 127 2127 A a < - 0 0 21 -3,-1.7 2,-1.2 1,-0.1 -1,-0.2 -0.498 57.8-131.9 -68.0 133.1 16.9 26.4 31.7 128 2128 A R 0 0 254 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.760 360.0 360.0 -82.5 101.2 18.9 23.2 31.5 129 2129 A L 0 0 75 -2,-1.2 -1,-0.2 -5,-0.1 -2,-0.0 0.463 360.0 360.0-111.9 360.0 19.2 22.8 35.3