==== 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 1IOQ . 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) . 6664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 29 22.5 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 83 0, 0.0 39,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.7 2.5 10.6 9.3 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.916 360.0-146.1-103.0 111.7 2.5 13.9 7.5 3 3 A F - 0 0 14 35,-2.9 2,-0.2 -2,-0.7 3,-0.0 -0.413 6.9-126.4 -78.3 152.2 -1.1 15.3 7.4 4 4 A G > - 0 0 34 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.623 32.0-108.9 -88.6 159.6 -2.6 17.3 4.6 5 5 A R H > S+ 0 0 89 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.942 115.7 35.5 -53.7 -57.5 -4.2 20.6 5.6 6 6 A a H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.794 114.4 57.7 -70.6 -30.5 -7.9 19.6 5.1 7 7 A E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 110.0 44.3 -64.9 -44.3 -7.3 16.1 6.3 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.880 109.8 55.4 -66.6 -41.3 -6.0 17.4 9.6 9 9 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.906 110.2 47.2 -56.7 -42.1 -8.7 20.0 10.0 10 10 A A H X S+ 0 0 44 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.896 111.5 49.4 -67.8 -43.1 -11.3 17.2 9.6 11 11 A A H X S+ 0 0 22 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.899 111.9 49.5 -63.5 -40.3 -9.5 15.0 12.2 12 12 A F H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 6,-0.3 0.908 110.8 49.9 -63.2 -44.8 -9.4 17.9 14.6 13 13 A K H ><5S+ 0 0 86 -4,-2.2 3,-1.9 1,-0.2 5,-0.2 0.929 109.5 49.9 -61.2 -45.9 -13.1 18.6 14.1 14 14 A R H 3<5S+ 0 0 213 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.0 55.9 -62.7 -33.4 -14.0 15.0 14.8 15 15 A H T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.327 122.2-106.6 -82.7 8.6 -11.9 15.1 17.9 16 16 A G T < 5S+ 0 0 38 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.749 80.7 127.0 75.5 28.9 -13.9 18.1 19.3 17 17 A L > < + 0 0 0 -5,-2.2 3,-2.2 -6,-0.1 2,-0.3 0.717 33.3 108.9 -89.0 -22.9 -11.3 20.8 18.7 18 18 A D T 3 S- 0 0 72 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.416 106.0 -12.5 -60.4 115.6 -13.4 23.3 16.8 19 19 A N T > S+ 0 0 92 4,-1.4 3,-2.4 -2,-0.3 -1,-0.3 0.588 87.7 165.3 64.4 19.1 -14.0 26.1 19.3 20 20 A Y B X S-B 23 0B 56 -3,-2.2 3,-2.0 3,-0.6 -1,-0.2 -0.469 81.2 -2.8 -65.2 126.0 -12.7 24.1 22.2 21 21 A R T 3 S- 0 0 140 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.805 136.1 -60.3 57.9 29.7 -12.1 26.8 24.9 22 22 A G T < S+ 0 0 59 -3,-2.4 2,-0.7 1,-0.2 -1,-0.3 0.543 103.5 130.6 79.2 7.6 -13.2 29.4 22.3 23 23 A Y B < -B 20 0B 47 -3,-2.0 -4,-1.4 -6,-0.2 -3,-0.6 -0.841 52.0-135.8-100.8 113.5 -10.5 28.6 19.8 24 24 A S >> - 0 0 40 -2,-0.7 3,-1.3 -5,-0.2 4,-1.0 -0.126 26.9-102.3 -60.4 161.8 -11.8 28.1 16.2 25 25 A L H 3> S+ 0 0 4 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.832 118.7 63.4 -54.6 -38.6 -10.5 25.3 14.0 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.843 97.7 57.8 -58.2 -33.2 -8.2 27.6 12.0 27 27 A N H <> S+ 0 0 21 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.927 108.2 44.6 -62.6 -46.1 -6.2 28.3 15.2 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.2 -1,-0.2 0.864 114.5 48.0 -66.9 -42.4 -5.4 24.6 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 112.5 50.2 -65.7 -40.3 -4.5 24.0 12.1 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.930 111.5 47.9 -63.6 -44.6 -2.3 27.1 12.1 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.917 111.7 49.0 -64.0 -42.8 -0.5 26.0 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-1.2 0.903 109.1 55.5 -61.7 -43.5 0.1 22.5 14.0 33 33 A K H X5S+ 0 0 59 -4,-2.3 4,-1.6 4,-0.2 -2,-0.2 0.962 116.1 34.3 -54.0 -54.7 1.5 23.9 10.7 34 34 A F H <5S+ 0 0 60 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.702 119.5 50.1 -80.5 -16.3 4.1 26.1 12.4 35 35 A E H <5S- 0 0 30 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.892 138.0 -6.1 -87.3 -37.9 4.9 23.8 15.3 36 36 A S H ><5S- 0 0 11 -4,-2.4 3,-1.1 19,-0.3 -3,-0.2 0.382 85.0-114.8-138.2 -2.0 5.5 20.6 13.3 37 37 A N T 3< - 0 0 55 4,-3.0 3,-1.7 -2,-0.3 -1,-0.0 -0.625 25.7-109.8-103.3 163.1 15.4 22.4 24.0 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.794 115.8 63.3 -62.3 -28.2 18.4 24.0 25.8 48 48 A D T 3 S- 0 0 81 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.368 120.7-105.9 -78.2 8.5 16.9 23.0 29.2 49 49 A G S < S+ 0 0 26 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.275 84.4 120.2 87.0 -12.7 17.3 19.3 28.2 50 50 A S - 0 0 0 -5,-0.1 -4,-3.0 19,-0.1 2,-0.3 -0.314 52.3-141.3 -78.6 170.5 13.5 18.8 27.7 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.974 3.6-134.6-135.7 147.1 12.1 17.7 24.3 52 52 A D E -CD 44 59C 28 -8,-3.2 -8,-1.4 -2,-0.3 2,-0.4 -0.883 25.7-157.2-102.8 134.0 9.0 18.7 22.3 53 53 A Y E > -CD 43 58C 23 5,-2.3 5,-2.1 -2,-0.4 3,-0.4 -0.924 32.3 -25.5-122.9 137.9 6.9 15.9 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.1 3,-1.5 -2,-0.4 30,-0.2 -0.083 98.3 -24.9 76.0-167.6 4.4 15.6 17.8 55 55 A I T 3 5S+ 0 0 0 28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.787 141.0 35.5 -54.7 -36.9 2.0 17.7 15.9 56 56 A F T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.333 105.2-124.9-102.3 3.6 1.6 20.1 18.8 57 57 A Q T < 5 - 0 0 12 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.906 35.3-164.3 51.4 53.5 5.2 19.9 20.0 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.3 -6,-0.1 2,-0.3 -0.472 16.3-118.3 -73.7 131.5 4.2 19.0 23.5 59 59 A N E >>> -D 52 0C 26 -7,-0.2 4,-2.3 -2,-0.2 3,-0.7 -0.529 7.0-147.7 -79.5 135.2 7.0 19.4 26.2 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.3 -2,-0.3 6,-0.3 0.540 90.7 73.1 -74.6 -13.4 8.4 16.6 28.2 61 61 A R T 345S+ 0 0 53 -10,-0.2 12,-1.8 11,-0.2 -1,-0.2 0.879 121.4 2.9 -70.8 -32.5 9.1 18.8 31.2 62 62 A W T <45S+ 0 0 122 -3,-0.7 13,-3.2 10,-0.3 -2,-0.2 0.712 132.2 40.9-123.1 -32.2 5.4 19.0 32.1 63 63 A W T <5S+ 0 0 31 -4,-2.3 13,-2.2 11,-0.3 15,-0.4 0.816 108.8 17.4 -98.3 -33.4 3.2 17.0 29.9 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 11,-0.1 10,-0.4 -0.924 66.7-115.6-139.3 163.5 4.7 13.6 29.1 65 65 A N B +e 79 0D 80 13,-2.4 15,-2.2 -2,-0.3 16,-0.3 -0.895 30.3 165.3-103.7 122.7 7.3 11.2 30.3 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.0 0.274 51.9-119.3-113.4 6.5 10.3 10.5 28.0 67 67 A G S S+ 0 0 66 2,-0.2 -2,-0.1 1,-0.1 0, 0.0 0.509 100.6 69.6 70.0 7.3 12.5 8.9 30.6 68 68 A R + 0 0 122 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.125 69.7 90.3-141.8 21.8 15.2 11.5 30.2 69 69 A T S > S- 0 0 11 -9,-0.1 3,-1.7 -19,-0.0 -2,-0.2 -0.918 71.1-137.5-123.4 99.8 13.8 14.7 31.6 70 70 A P T 3 S+ 0 0 113 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.398 87.7 13.2 -58.1 128.8 14.6 15.1 35.3 71 71 A G T 3 S+ 0 0 69 1,-0.2 2,-0.1 -2,-0.1 -10,-0.0 0.673 81.4 166.5 80.4 17.5 11.6 16.4 37.2 72 72 A S < - 0 0 29 -3,-1.7 -10,-0.3 1,-0.1 -1,-0.2 -0.434 27.7-154.1 -64.0 141.4 9.0 15.9 34.4 73 73 A R - 0 0 154 -12,-1.8 -11,-0.2 -9,-0.1 -1,-0.1 0.631 12.8-150.9 -90.8 -16.1 5.5 16.2 35.8 74 74 A N > + 0 0 36 -10,-0.4 3,-1.9 -14,-0.3 -11,-0.3 0.859 25.2 172.2 43.1 51.4 3.8 14.0 33.2 75 75 A L T 3 S+ 0 0 54 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.1 0.757 75.4 49.0 -60.6 -26.9 0.6 15.9 33.5 76 76 A d T 3 S- 0 0 10 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.479 105.1-133.6 -92.0 0.1 -1.0 14.1 30.5 77 77 A N < + 0 0 133 -3,-1.9 -13,-0.1 -14,-0.2 -2,-0.1 0.906 63.7 111.4 48.7 57.5 0.1 10.7 32.0 78 78 A I S S- 0 0 38 -15,-0.4 -13,-2.4 12,-0.0 2,-0.3 -0.985 74.2-101.9-152.9 153.4 1.5 9.3 28.8 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.618 37.3-121.7 -76.3 142.1 4.9 8.3 27.4 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-1.6 1,-0.3 4,-0.2 0.797 108.2 68.8 -55.6 -29.6 6.1 11.0 25.0 81 81 A S G > S+ 0 0 84 -16,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.785 86.3 67.8 -59.9 -29.0 6.3 8.4 22.1 82 82 A A G X S+ 0 0 33 -3,-1.8 3,-1.0 1,-0.3 9,-0.3 0.770 91.6 62.9 -61.1 -26.7 2.5 8.1 22.2 83 83 A L G < S+ 0 0 1 -3,-1.6 -28,-0.5 -4,-0.4 -1,-0.3 0.479 94.9 60.6 -78.2 -3.1 2.4 11.7 20.8 84 84 A L G < S+ 0 0 44 -3,-1.8 -1,-0.2 -30,-0.2 -2,-0.2 0.389 79.4 118.9-105.2 1.6 4.2 10.6 17.6 85 85 A S S < S- 0 0 55 -3,-1.0 6,-0.1 2,-0.2 -3,-0.0 -0.251 73.2-125.2 -68.2 152.0 1.6 8.2 16.5 86 86 A S S S+ 0 0 76 2,-0.1 2,-0.8 1,-0.1 -1,-0.1 0.663 100.9 79.2 -70.6 -16.1 -0.4 8.5 13.3 87 87 A D S > S- 0 0 96 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.869 73.5-160.6 -92.0 114.2 -3.5 8.3 15.4 88 88 A I T 3> + 0 0 6 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.502 60.3 105.4 -78.2 -2.9 -3.7 11.9 16.8 89 89 A T H 3> S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.863 81.2 44.8 -44.4 -52.7 -6.0 11.0 19.8 90 90 A A H <> S+ 0 0 26 -3,-0.5 4,-2.3 -8,-0.2 5,-0.2 0.931 113.7 50.3 -61.9 -46.0 -3.3 11.3 22.5 91 91 A S H > S+ 0 0 5 -4,-0.3 4,-2.6 -9,-0.3 -1,-0.2 0.933 113.7 46.4 -57.0 -46.2 -1.9 14.5 21.1 92 92 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.928 111.3 49.5 -63.5 -46.9 -5.4 16.0 21.0 93 93 A N H X S+ 0 0 73 -4,-3.0 4,-1.1 -5,-0.2 -1,-0.2 0.878 114.8 45.8 -62.4 -37.5 -6.4 14.9 24.5 94 94 A d H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 3,-0.3 0.914 109.4 53.5 -71.2 -42.5 -3.2 16.4 25.9 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.876 104.2 57.9 -58.7 -37.8 -3.5 19.7 23.9 96 96 A K H X S+ 0 0 46 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.907 108.0 45.8 -60.1 -40.4 -7.0 20.0 25.4 97 97 A K H < S+ 0 0 104 -4,-1.1 4,-0.4 -3,-0.3 -2,-0.2 0.904 112.5 51.1 -68.7 -40.8 -5.5 19.9 28.9 98 98 A I H >< S+ 0 0 9 -4,-2.2 3,-1.7 1,-0.2 5,-0.4 0.958 109.7 47.9 -61.6 -50.0 -2.7 22.4 28.0 99 99 A V H >< S+ 0 0 6 -4,-2.9 3,-0.6 1,-0.3 5,-0.5 0.742 108.9 55.5 -65.4 -23.6 -5.1 25.0 26.5 100 100 A S T 3< S+ 0 0 43 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.550 83.1 94.6 -83.8 -6.3 -7.3 24.7 29.6 101 101 A D T < S- 0 0 111 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 0.592 107.1 -95.9 -63.6 -15.5 -4.2 25.5 31.8 102 102 A G S < S+ 0 0 66 -3,-0.6 -1,-0.1 -4,-0.2 -3,-0.1 0.115 114.0 71.1 122.7 -25.8 -4.9 29.2 32.0 103 103 A N S > S- 0 0 109 -5,-0.4 3,-1.8 1,-0.3 4,-0.2 0.369 81.3-156.2-102.1 1.4 -2.7 30.7 29.2 104 104 A G G > - 0 0 10 -5,-0.5 3,-1.3 1,-0.3 -1,-0.3 -0.240 65.5 -19.2 58.0-144.4 -4.8 29.3 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 7,-0.3 0.496 117.5 89.2 -75.0 -3.4 -3.0 28.9 23.2 106 106 A N G < + 0 0 41 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.683 69.8 80.5 -65.1 -15.1 -0.2 31.3 24.2 107 107 A A G < S+ 0 0 52 -3,-1.3 2,-0.8 1,-0.2 -1,-0.3 0.753 83.0 69.4 -60.4 -26.3 1.3 28.1 25.6 108 108 A W S X> S- 0 0 11 -3,-2.1 4,-2.5 1,-0.2 3,-0.9 -0.856 72.4-160.8-100.9 106.7 2.4 27.5 22.0 109 109 A V H 3> S+ 0 0 73 -2,-0.8 4,-2.9 1,-0.3 5,-0.2 0.839 91.5 52.3 -53.3 -40.4 5.1 30.0 21.1 110 110 A A H 3> S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.825 109.4 50.7 -68.9 -28.9 4.6 29.5 17.3 111 111 A W H <>>S+ 0 0 13 -3,-0.9 5,-3.0 -6,-0.2 4,-2.4 0.954 112.3 46.4 -69.3 -49.5 0.9 30.2 17.8 112 112 A R H <5S+ 0 0 109 -4,-2.5 -2,-0.2 -7,-0.3 -3,-0.2 0.942 122.1 36.1 -57.1 -47.0 1.6 33.3 19.7 113 113 A N H <5S+ 0 0 115 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.744 132.7 20.9 -83.3 -21.5 4.2 34.5 17.1 114 114 A R H <5S+ 0 0 143 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.559 129.7 28.6-127.0 -8.0 2.6 33.3 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.4 -3,-0.2 0.716 85.3 102.9-118.6 -44.5 -1.1 32.7 14.2 116 116 A K T 3 + 0 0 80 1,-0.2 3,-1.5 -2,-0.2 4,-0.2 -0.512 53.6 168.6 -77.3 78.4 -6.6 35.6 9.5 120 120 A V G > + 0 0 8 -2,-2.1 3,-1.6 1,-0.3 4,-0.3 0.671 63.0 78.8 -69.1 -13.7 -6.6 31.9 10.7 121 121 A Q G >> S+ 0 0 117 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.807 79.8 71.8 -63.7 -26.6 -9.8 31.2 8.8 122 122 A A G X4 S+ 0 0 29 -3,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.794 85.0 68.1 -58.5 -29.3 -7.6 30.9 5.8 123 123 A W G <4 S+ 0 0 58 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.696 107.8 34.0 -67.0 -20.6 -6.3 27.6 7.2 124 124 A I G X4 S+ 0 0 47 -3,-1.6 3,-1.7 -4,-0.3 -1,-0.2 0.372 87.2 131.4-115.5 5.3 -9.5 25.7 6.7 125 125 A R T << S+ 0 0 157 -3,-0.7 3,-0.1 -4,-0.6 -119,-0.1 -0.317 75.1 14.1 -61.6 131.0 -10.6 27.5 3.5 126 126 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -2,-0.0 2,-0.2 0.287 95.2 129.0 87.8 -10.1 -11.7 25.1 0.8 127 127 A a < - 0 0 20 -3,-1.7 2,-0.9 1,-0.1 -1,-0.3 -0.546 62.6-125.5 -82.8 141.3 -12.0 22.1 3.1 128 128 A R 0 0 238 -2,-0.2 -1,-0.1 1,-0.2 -118,-0.1 -0.772 360.0 360.0 -85.7 110.6 -15.1 19.9 3.2 129 129 A L 0 0 97 -2,-0.9 -1,-0.2 -116,-0.0 -2,-0.0 0.611 360.0 360.0-127.7 360.0 -16.0 20.0 6.9