==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-01 1IOS . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.OHMURA,T.UEDA,K.OOTSUKA,M.SAITO,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6612.0 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 . 25 19.4 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 91 0, 0.0 39,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 134.3 2.2 10.3 9.2 2 2 A V B -A 39 0A 98 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.933 360.0-143.4-103.3 112.9 2.2 13.7 7.5 3 3 A F - 0 0 14 35,-3.0 2,-0.3 -2,-0.7 3,-0.0 -0.338 7.5-122.8 -76.1 156.6 -1.4 15.0 7.4 4 4 A G > - 0 0 34 1,-0.1 4,-2.9 -2,-0.1 5,-0.3 -0.686 31.4-111.8 -91.1 153.0 -3.0 16.9 4.6 5 5 A R H > S+ 0 0 87 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.944 116.6 36.6 -50.4 -57.8 -4.4 20.3 5.6 6 6 A a H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.839 114.7 57.5 -68.8 -30.6 -8.1 19.4 5.1 7 7 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 109.3 44.0 -63.6 -48.0 -7.5 15.9 6.4 8 8 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.889 110.4 55.8 -65.4 -37.1 -6.1 17.2 9.7 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.932 109.3 47.4 -59.4 -43.5 -8.9 19.8 10.0 10 10 A A H X S+ 0 0 44 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.858 112.5 48.3 -67.2 -38.8 -11.5 17.0 9.6 11 11 A A H X S+ 0 0 12 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.902 111.8 49.1 -68.5 -44.3 -9.8 14.9 12.2 12 12 A F H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 6,-0.3 0.914 112.6 48.9 -59.9 -43.8 -9.5 17.8 14.7 13 13 A K H ><5S+ 0 0 86 -4,-2.4 3,-2.4 -5,-0.2 -2,-0.2 0.961 109.4 51.0 -61.8 -48.7 -13.2 18.6 14.2 14 14 A R H 3<5S+ 0 0 187 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.7 55.2 -59.0 -31.3 -14.2 14.9 14.7 15 15 A H T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.346 122.2-105.3 -85.9 7.7 -12.2 14.9 17.9 16 16 A G T < 5S+ 0 0 38 -3,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.721 81.9 125.2 79.7 24.3 -14.1 18.0 19.3 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.7 -6,-0.1 -4,-0.2 0.786 34.8 107.8 -85.8 -26.7 -11.4 20.7 18.9 18 18 A D T 3 S- 0 0 68 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.345 105.5 -9.9 -58.1 115.8 -13.5 23.2 16.8 19 19 A N T > S+ 0 0 95 4,-1.5 3,-2.0 1,-0.2 2,-0.3 0.635 89.0 162.8 65.6 21.0 -14.2 26.0 19.2 20 20 A Y B X S-B 23 0B 60 -3,-2.7 3,-1.9 3,-0.7 -1,-0.2 -0.553 80.1 -3.9 -69.7 124.6 -12.9 24.1 22.2 21 21 A R T 3 S- 0 0 146 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.751 135.7 -58.4 60.7 26.0 -12.2 26.7 24.8 22 22 A G T < S+ 0 0 60 -3,-2.0 2,-0.7 1,-0.2 -1,-0.3 0.467 105.2 129.1 85.8 2.2 -13.2 29.4 22.3 23 23 A Y B < -B 20 0B 48 -3,-1.9 -4,-1.5 -6,-0.2 -3,-0.7 -0.811 51.3-140.2 -98.8 110.6 -10.5 28.4 19.8 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.6 -5,-0.2 4,-1.0 -0.197 28.3-101.1 -62.9 158.9 -11.9 27.9 16.3 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.793 118.2 63.8 -49.6 -41.1 -10.6 25.1 14.0 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.811 98.7 56.4 -58.0 -32.1 -8.4 27.4 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.936 108.8 45.4 -63.7 -48.1 -6.3 28.1 15.2 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.848 114.5 47.3 -63.3 -41.1 -5.6 24.4 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.902 112.9 49.2 -69.8 -39.3 -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 0.926 111.0 50.1 -64.8 -45.6 -2.4 26.8 12.0 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.923 110.9 49.0 -58.2 -47.6 -0.7 25.8 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 6,-1.1 0.922 108.5 55.2 -57.7 -47.3 -0.1 22.2 13.9 33 33 A K H X5S+ 0 0 59 -4,-2.4 4,-1.3 4,-0.2 -2,-0.2 0.952 116.9 33.4 -51.4 -55.8 1.3 23.6 10.6 34 34 A F H <5S+ 0 0 61 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.733 120.0 49.9 -79.5 -20.6 3.9 25.8 12.3 35 35 A E H <5S- 0 0 33 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.925 138.1 -5.1 -82.2 -45.0 4.7 23.4 15.3 36 36 A S H ><5S- 0 0 10 -4,-2.6 3,-1.0 19,-0.4 -3,-0.2 0.430 85.1-116.9-129.7 -2.7 5.2 20.2 13.3 37 37 A N T 3< - 0 0 55 4,-3.1 3,-1.8 -2,-0.3 -1,-0.0 -0.668 24.9-109.1-107.4 164.1 15.0 22.0 24.1 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.799 116.8 61.4 -62.2 -29.9 17.9 23.6 25.9 48 48 A D T 3 S- 0 0 78 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.355 121.2-107.2 -78.0 6.6 16.4 22.6 29.3 49 49 A G S < S+ 0 0 22 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.343 83.4 119.4 87.4 -10.0 16.7 18.9 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.356 52.6-141.5 -80.7 171.6 13.0 18.4 27.7 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.1 -3,-0.1 2,-0.4 -0.979 4.6-132.0-137.5 146.1 11.7 17.4 24.2 52 52 A D E -CD 44 59C 26 -8,-3.2 -8,-1.5 -2,-0.3 2,-0.4 -0.856 26.8-154.8 -98.7 138.5 8.6 18.3 22.3 53 53 A Y E > -CD 43 58C 23 5,-2.4 5,-2.1 -2,-0.4 3,-0.4 -0.938 31.4 -27.2-124.9 134.8 6.5 15.5 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.4 3,-1.9 -2,-0.4 30,-0.2 -0.058 96.8 -22.3 79.5-169.4 4.1 15.1 17.8 55 55 A I T 3 5S+ 0 0 1 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.744 141.6 31.4 -52.8 -33.5 1.7 17.1 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.210 106.6-122.3-114.4 14.1 1.2 19.7 18.4 57 57 A Q T < 5 - 0 0 12 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.896 34.4-165.1 45.5 57.5 4.7 19.5 19.9 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.4 -6,-0.1 2,-0.2 -0.545 18.0-119.0 -76.1 131.8 3.7 18.6 23.5 59 59 A N E >>> -D 52 0C 28 -2,-0.3 4,-1.7 -7,-0.2 5,-0.8 -0.513 5.7-144.9 -79.6 139.9 6.5 19.1 26.0 60 60 A S T 345S+ 0 0 0 -9,-2.1 14,-0.3 -2,-0.2 6,-0.2 0.563 90.1 74.0 -77.2 -12.0 8.0 16.3 28.2 61 61 A R T 345S+ 0 0 54 11,-0.2 12,-1.6 -10,-0.1 -1,-0.2 0.868 120.0 3.0 -71.2 -30.4 8.6 18.5 31.2 62 62 A W T <45S+ 0 0 122 -3,-0.7 13,-3.5 10,-0.2 -2,-0.2 0.722 131.5 39.1-123.8 -36.7 4.9 18.7 32.2 63 63 A W T <5S+ 0 0 27 -4,-1.7 13,-2.3 11,-0.3 15,-0.4 0.817 108.0 22.2 -96.8 -34.8 2.7 16.6 30.0 64 64 A c < - 0 0 0 -5,-0.8 2,-0.6 11,-0.1 10,-0.4 -0.904 66.6-117.8-135.6 163.7 4.2 13.3 29.0 65 65 A N B +e 79 0D 77 13,-2.5 15,-2.2 -2,-0.3 16,-0.4 -0.900 31.0 162.2-105.4 120.8 6.9 10.9 30.2 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.280 53.1-120.3-113.4 3.7 9.9 10.1 28.0 67 67 A G S S+ 0 0 64 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.533 99.0 71.8 71.4 8.1 12.0 8.7 30.7 68 68 A R + 0 0 121 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.165 66.1 92.2-140.9 21.8 14.8 11.3 30.3 69 69 A T S > S- 0 0 10 -9,-0.1 3,-2.0 -19,-0.0 -2,-0.1 -0.863 70.6-138.6-121.8 91.8 13.4 14.6 31.6 70 70 A P T 3 S+ 0 0 115 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.300 89.0 15.0 -51.4 122.7 14.4 14.9 35.3 71 71 A G T 3 S+ 0 0 68 1,-0.2 -10,-0.0 2,-0.0 2,-0.0 0.643 84.7 163.6 86.0 14.2 11.4 16.3 37.2 72 72 A S < - 0 0 33 -3,-2.0 -10,-0.2 1,-0.1 -1,-0.2 -0.357 27.4-157.5 -62.1 146.3 8.8 15.7 34.5 73 73 A R - 0 0 162 -12,-1.6 -11,-0.2 -9,-0.1 -1,-0.1 0.704 11.1-152.2 -98.9 -24.5 5.3 15.8 35.8 74 74 A N > + 0 0 37 -10,-0.4 3,-1.6 -14,-0.3 -11,-0.3 0.893 23.3 172.3 49.7 54.1 3.5 13.7 33.1 75 75 A L T 3 S+ 0 0 61 -13,-3.5 -12,-0.2 1,-0.3 -11,-0.1 0.699 75.0 52.4 -65.9 -20.9 0.1 15.5 33.5 76 76 A d T 3 S- 0 0 10 -13,-2.3 -1,-0.3 2,-0.2 -12,-0.1 0.491 104.8-131.7 -94.1 -1.3 -1.5 13.7 30.5 77 77 A N < + 0 0 137 -3,-1.6 -13,-0.1 -14,-0.2 -2,-0.1 0.924 64.5 110.8 52.1 58.7 -0.4 10.3 32.0 78 78 A I S S- 0 0 33 -15,-0.4 -13,-2.5 16,-0.0 2,-0.2 -0.994 74.0-103.7-156.8 151.4 1.1 8.9 28.8 79 79 A P B > -e 65 0D 68 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.596 37.6-122.6 -75.7 141.1 4.5 8.0 27.4 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-1.8 1,-0.3 4,-0.2 0.803 108.0 69.5 -54.3 -29.9 5.6 10.7 25.0 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.803 86.2 67.7 -61.2 -26.7 6.0 8.1 22.2 82 82 A A G X S+ 0 0 34 -3,-1.8 3,-0.9 1,-0.3 -1,-0.3 0.747 91.4 63.1 -63.8 -24.1 2.2 7.8 22.2 83 83 A L G < S+ 0 0 2 -3,-1.8 -28,-0.6 -4,-0.4 -1,-0.3 0.482 93.7 62.5 -79.3 -3.1 2.1 11.4 20.8 84 84 A L G < S+ 0 0 45 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.394 78.8 119.5-103.4 3.6 3.9 10.3 17.7 85 85 A S S < S- 0 0 54 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.224 73.3-125.2 -67.9 153.1 1.1 7.9 16.5 86 86 A S S S+ 0 0 77 2,-0.1 2,-0.7 1,-0.0 -1,-0.1 0.701 102.8 76.5 -68.9 -20.4 -0.7 8.2 13.2 87 87 A D S S- 0 0 91 1,-0.1 3,-0.4 -47,-0.0 4,-0.3 -0.864 73.0-163.2 -90.6 116.5 -3.8 8.2 15.4 88 88 A I > + 0 0 6 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.348 57.6 107.7 -87.2 9.1 -3.9 11.6 16.9 89 89 A T H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 80.3 45.9 -53.4 -49.7 -6.3 10.8 19.8 90 90 A A H > S+ 0 0 28 -3,-0.4 4,-2.2 -8,-0.2 -1,-0.2 0.897 113.0 50.8 -62.7 -40.6 -3.7 11.0 22.6 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.918 112.4 47.5 -62.8 -42.9 -2.3 14.2 21.2 92 92 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.942 111.3 49.3 -65.0 -44.5 -5.8 15.7 21.1 93 93 A N H X S+ 0 0 76 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.892 114.4 45.3 -60.6 -42.8 -6.7 14.6 24.6 94 94 A d H >X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 3,-0.6 0.913 109.7 54.5 -68.4 -41.0 -3.6 16.0 26.0 95 95 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.3 5,-0.3 0.885 102.5 58.6 -60.8 -37.2 -3.9 19.3 24.1 96 96 A K H 3X S+ 0 0 46 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.874 107.8 46.1 -60.3 -36.1 -7.3 19.8 25.5 97 97 A K H << S+ 0 0 99 -4,-1.0 4,-0.3 -3,-0.6 -1,-0.2 0.887 113.4 49.5 -73.0 -39.1 -5.8 19.7 29.0 98 98 A I H >< S+ 0 0 11 -4,-2.1 3,-2.0 1,-0.2 5,-0.3 0.957 110.3 48.1 -64.0 -52.1 -3.0 22.1 28.0 99 99 A V H 3< S+ 0 0 5 -4,-3.0 3,-0.5 1,-0.3 5,-0.4 0.751 110.8 53.7 -62.8 -22.6 -5.3 24.7 26.4 100 100 A S T 3< S+ 0 0 40 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.477 84.1 94.8 -89.0 -2.0 -7.5 24.5 29.6 101 101 A D S < S- 0 0 112 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.1 0.471 106.3 -93.5 -71.7 -6.8 -4.4 25.2 31.8 102 102 A G S S+ 0 0 68 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 -0.010 114.7 68.5 123.2 -34.6 -4.9 28.9 32.1 103 103 A N S > S- 0 0 115 -5,-0.3 3,-1.6 1,-0.3 -4,-0.1 0.418 82.8-154.0 -97.0 -1.6 -2.8 30.4 29.3 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.2 -6,-0.3 -1,-0.3 -0.323 65.9 -17.5 64.0-141.3 -5.0 29.1 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.526 116.3 90.4 -78.1 -3.0 -3.3 28.6 23.2 106 106 A N G < + 0 0 39 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.637 68.7 80.9 -64.6 -12.8 -0.4 30.9 24.3 107 107 A A G < S+ 0 0 55 -3,-1.2 2,-0.8 1,-0.1 -1,-0.3 0.730 82.5 69.3 -62.9 -25.4 1.1 27.6 25.5 108 108 A W S <> S- 0 0 8 -3,-2.1 4,-2.3 1,-0.2 3,-0.5 -0.871 72.0-161.4-101.2 107.8 2.2 27.0 21.9 109 109 A V H > S+ 0 0 73 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.847 90.8 53.4 -55.8 -38.9 4.9 29.5 21.0 110 110 A A H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.5 0.878 109.4 49.6 -66.9 -34.5 4.4 29.0 17.2 111 111 A W H >>S+ 0 0 12 -3,-0.5 5,-3.1 -6,-0.2 4,-2.2 0.949 112.1 47.4 -66.1 -50.7 0.7 29.8 17.7 112 112 A R H <5S+ 0 0 107 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.936 121.3 36.5 -56.7 -44.9 1.4 32.9 19.6 113 113 A N H <5S+ 0 0 114 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.769 133.3 18.8 -85.1 -23.3 4.0 34.1 17.2 114 114 A R H <5S+ 0 0 142 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.563 130.4 31.1-125.2 -11.2 2.5 33.1 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-1.9 -5,-0.5 -3,-0.2 0.746 85.3 100.7-113.7 -44.0 -1.2 32.4 14.2 116 116 A K T 3 + 0 0 81 -2,-0.2 3,-1.8 1,-0.2 4,-0.2 -0.532 51.6 172.9 -82.7 80.8 -6.8 35.3 9.6 120 120 A V G > + 0 0 10 -2,-2.1 3,-1.6 1,-0.3 4,-0.2 0.683 65.8 77.3 -62.9 -17.6 -6.8 31.7 10.8 121 121 A Q G >> S+ 0 0 110 1,-0.3 3,-2.0 2,-0.2 4,-0.8 0.805 78.5 73.9 -63.1 -26.6 -9.9 30.9 8.8 122 122 A A G <4 S+ 0 0 41 -3,-1.8 3,-0.5 1,-0.3 -1,-0.3 0.809 85.2 67.2 -55.7 -28.9 -7.6 30.7 5.8 123 123 A W G <4 S+ 0 0 56 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.618 108.5 33.1 -69.9 -16.4 -6.4 27.4 7.2 124 124 A I T X4 S+ 0 0 46 -3,-2.0 3,-2.0 -4,-0.2 -1,-0.2 0.394 86.4 127.7-118.7 0.8 -9.7 25.6 6.6 125 125 A R T 3< S+ 0 0 157 -4,-0.8 3,-0.1 -3,-0.5 -119,-0.0 -0.276 76.2 19.9 -58.0 136.0 -10.8 27.4 3.5 126 126 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -120,-0.0 -1,-0.3 0.446 95.3 127.7 83.8 -1.8 -11.6 25.0 0.7 127 127 A a < - 0 0 22 -3,-2.0 2,-1.0 -122,-0.0 -1,-0.3 -0.667 63.3-126.9 -93.8 146.4 -12.2 22.0 3.1 128 128 A R 0 0 244 -2,-0.3 -118,-0.0 1,-0.2 -3,-0.0 -0.790 360.0 360.0 -88.5 101.9 -15.3 19.8 3.1 129 129 A L 0 0 97 -2,-1.0 -1,-0.2 -5,-0.0 -5,-0.0 0.628 360.0 360.0-123.4 360.0 -16.1 20.1 6.8