==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUL-12 4B1A . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR A.MUKHOPADHYAY,T.S.SILVA,M.J.ROMAO,C.C.ROMAO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6420.0 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 . 28 21.7 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 . 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 91 0, 0.0 39,-3.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 139.2 2.0 9.9 8.5 2 2 A V B -A 39 0A 95 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.907 360.0-146.7-100.9 112.9 1.9 13.2 6.8 3 3 A F - 0 0 12 35,-2.9 2,-0.2 -2,-0.7 3,-0.0 -0.552 10.7-122.7 -73.6 145.2 -1.8 14.5 6.8 4 4 A G > - 0 0 35 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.513 33.8-107.8 -72.6 153.6 -3.2 16.4 4.0 5 5 A R H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.956 117.8 37.8 -50.7 -58.3 -4.7 19.8 5.2 6 6 A a H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 113.7 58.5 -70.6 -29.4 -8.4 18.9 4.9 7 7 A E H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 109.5 42.6 -55.8 -53.1 -7.7 15.4 6.1 8 8 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.912 111.5 55.1 -62.4 -40.8 -6.3 16.7 9.3 9 9 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.944 109.1 49.6 -57.9 -41.1 -9.1 19.3 9.6 10 10 A A H X S+ 0 0 47 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.891 112.4 45.7 -65.5 -40.0 -11.6 16.4 9.4 11 11 A A H X S+ 0 0 10 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.920 112.6 50.4 -72.7 -42.1 -9.8 14.4 12.0 12 12 A M H <>S+ 0 0 0 -4,-3.1 5,-2.5 2,-0.2 6,-0.3 0.922 112.6 47.2 -60.0 -41.2 -9.5 17.3 14.4 13 13 A K H ><5S+ 0 0 82 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.946 109.0 53.3 -66.8 -45.7 -13.2 18.1 14.0 14 14 A R H 3<5S+ 0 0 185 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.847 109.0 51.5 -56.2 -35.7 -14.2 14.5 14.5 15 15 A H T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.310 123.1-102.1 -90.6 9.3 -12.2 14.6 17.8 16 16 A G T < 5S+ 0 0 35 -3,-2.0 -3,-0.2 -4,-0.1 -2,-0.1 0.628 82.8 124.3 91.3 17.1 -13.8 17.7 19.1 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.5 -6,-0.1 2,-0.3 0.755 38.5 105.5 -81.3 -27.7 -11.3 20.4 18.4 18 18 A D T 3 S- 0 0 53 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.432 106.9 -8.0 -59.4 115.6 -13.5 22.8 16.4 19 19 A N T > S+ 0 0 96 4,-1.4 3,-2.1 -2,-0.3 -1,-0.3 0.599 89.6 163.6 64.3 23.3 -14.2 25.6 18.8 20 20 A Y B X S-B 23 0B 67 -3,-2.5 3,-1.8 3,-0.8 -1,-0.2 -0.514 80.5 -5.0 -71.4 127.6 -12.6 23.7 21.7 21 21 A R T 3 S- 0 0 167 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.769 136.6 -59.2 46.7 29.6 -12.0 26.4 24.4 22 22 A G T < S+ 0 0 58 -3,-2.1 2,-0.7 1,-0.2 -1,-0.3 0.491 103.8 132.3 89.9 4.4 -13.3 28.9 21.8 23 23 A Y B < -B 20 0B 45 -3,-1.8 -4,-1.4 -6,-0.2 -3,-0.8 -0.826 52.0-133.5 -97.5 119.4 -10.7 28.1 19.1 24 24 A S >> - 0 0 40 -2,-0.7 3,-1.3 -5,-0.2 4,-0.9 -0.127 26.4-104.9 -65.5 158.9 -12.0 27.6 15.7 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.829 117.0 63.3 -53.1 -37.6 -10.7 24.6 13.7 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.827 98.8 57.4 -61.7 -28.3 -8.5 26.8 11.4 27 27 A N H <> S+ 0 0 19 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.900 108.3 44.7 -65.9 -41.5 -6.5 27.8 14.5 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.4 -2,-0.2 0.859 114.1 49.1 -71.5 -39.9 -5.6 24.2 15.2 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 112.4 48.4 -66.5 -43.2 -4.8 23.4 11.5 30 30 A b H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.927 111.3 50.9 -58.7 -45.4 -2.6 26.5 11.4 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.926 111.6 47.8 -57.7 -49.2 -0.9 25.4 14.7 32 32 A A H X>S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 6,-1.1 0.882 107.9 55.9 -59.9 -41.8 -0.3 21.9 13.3 33 33 A K H X5S+ 0 0 62 -4,-2.3 4,-1.7 4,-0.2 -2,-0.2 0.954 115.6 35.8 -59.1 -48.2 1.1 23.3 10.0 34 34 A F H <5S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.759 119.1 49.7 -83.7 -19.4 3.8 25.4 11.6 35 35 A E H <5S- 0 0 33 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.918 137.8 -6.4 -78.3 -43.7 4.6 22.9 14.4 36 36 A S H ><5S- 0 0 11 -4,-2.5 3,-1.1 19,-0.4 -3,-0.2 0.417 83.7-115.1-142.2 -1.5 5.0 19.8 12.4 37 37 A N T 3< - 0 0 40 4,-3.1 3,-2.5 -2,-0.4 -1,-0.0 -0.672 23.2-116.8 -95.1 148.5 14.3 21.6 23.2 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.771 114.0 63.1 -57.3 -28.9 17.5 23.1 24.6 48 48 A D T 3 S- 0 0 81 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.351 122.4-104.2 -74.9 -0.7 16.3 22.1 28.1 49 49 A G S < S+ 0 0 21 -3,-2.5 -2,-0.1 1,-0.4 2,-0.1 0.286 85.2 120.5 91.9 -11.2 16.5 18.4 27.1 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.350 54.0-137.8 -74.7 165.9 12.7 18.0 26.7 51 51 A T E -C 45 0C 2 -6,-0.2 9,-2.3 -3,-0.1 2,-0.4 -0.989 1.5-137.7-127.5 144.9 11.3 16.9 23.4 52 52 A D E -CD 44 59C 25 -8,-3.2 -8,-1.9 -2,-0.4 2,-0.4 -0.824 28.0-160.6-100.8 138.3 8.3 18.1 21.3 53 53 A Y E > -CD 43 58C 24 5,-1.9 5,-2.3 -2,-0.4 3,-0.4 -0.979 29.9 -16.3-128.7 130.9 6.3 15.3 19.7 54 54 A G T > 5S- 0 0 0 -12,-3.0 3,-1.2 -2,-0.4 -15,-0.2 -0.272 99.1 -28.2 90.3-167.5 3.8 14.8 16.9 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.817 141.6 33.8 -65.6 -23.6 1.5 16.9 14.8 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.195 106.3-121.8-118.1 13.5 1.1 19.6 17.6 57 57 A Q T < 5 - 0 0 11 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.906 35.0-164.6 50.8 56.2 4.6 19.3 19.1 58 58 A I E < -D 53 0C 2 -5,-2.3 -5,-1.9 25,-0.1 2,-0.3 -0.598 15.5-123.8 -82.4 132.3 3.5 18.4 22.5 59 59 A N E >> -D 52 0C 30 -2,-0.3 4,-2.1 -7,-0.2 3,-0.7 -0.566 7.3-146.4 -91.1 135.5 6.3 18.8 25.1 60 60 A S T 34 S+ 0 0 0 -9,-2.3 6,-0.2 -2,-0.3 13,-0.1 0.605 87.4 82.0 -66.2 -17.5 7.7 16.2 27.4 61 61 A R T 34 S- 0 0 65 11,-0.2 12,-2.3 1,-0.2 -1,-0.2 0.880 120.4 -3.6 -61.4 -37.0 8.5 18.7 30.2 62 62 A W T <4 S+ 0 0 142 -3,-0.7 13,-3.0 10,-0.2 -2,-0.2 0.714 131.6 46.0-120.6 -31.8 4.8 18.5 31.3 63 63 A W S < S+ 0 0 24 -4,-2.1 13,-1.9 11,-0.3 15,-0.3 0.731 102.2 20.1-104.9 -28.8 2.6 16.4 29.1 64 64 A c - 0 0 0 9,-0.5 2,-0.6 -5,-0.4 11,-0.1 -0.925 66.4-110.8-143.7 161.5 4.0 13.1 28.2 65 65 A N B +e 79 0D 79 13,-2.6 15,-2.6 -2,-0.3 16,-0.4 -0.895 36.7 153.4-101.5 124.9 6.6 10.5 29.3 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.309 54.9-124.0-121.4 5.6 9.6 9.8 27.2 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.545 96.5 75.4 60.1 9.7 11.8 8.5 30.1 68 68 A R + 0 0 110 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.068 64.5 89.0-136.1 29.4 14.5 11.1 29.2 69 69 A T S > S- 0 0 7 -9,-0.1 3,-1.2 3,-0.1 -2,-0.1 -0.833 74.3-138.2-124.2 89.6 13.3 14.5 30.5 70 70 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.233 79.9 5.5 -59.1 136.0 14.4 14.8 34.1 71 71 A G T 3 S+ 0 0 84 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.777 98.2 137.3 71.4 28.9 11.9 16.2 36.6 72 72 A S < - 0 0 23 -3,-1.2 -10,-0.2 1,-0.0 -1,-0.2 -0.569 44.9-132.4-101.6 165.5 9.1 16.3 34.0 73 73 A R - 0 0 140 -12,-2.3 -9,-0.5 -2,-0.2 3,-0.1 -0.593 6.6-145.2-111.5 175.5 5.5 15.4 34.3 74 74 A N > + 0 0 48 -11,-0.2 3,-2.2 -2,-0.2 -11,-0.3 -0.570 29.4 165.0-138.2 64.0 3.2 13.3 32.2 75 75 A L T 3 S+ 0 0 77 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.780 78.4 51.8 -60.0 -31.0 -0.1 15.3 32.7 76 76 A d T 3 S- 0 0 13 -13,-1.9 -1,-0.3 -14,-0.1 -12,-0.1 0.442 104.9-133.7 -82.3 0.5 -1.7 13.5 29.7 77 77 A N < + 0 0 81 -3,-2.2 -2,-0.1 1,-0.2 -13,-0.1 0.896 64.7 114.5 51.6 48.3 -0.7 10.1 31.2 78 78 A I S S- 0 0 35 -15,-0.3 -13,-2.6 12,-0.0 2,-0.3 -0.980 73.1-104.8-139.8 153.3 0.7 8.8 27.9 79 79 A P B > -e 65 0D 72 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.639 34.4-123.3 -71.0 140.6 4.0 7.8 26.4 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-1.9 -2,-0.3 4,-0.2 0.824 108.4 69.4 -53.3 -29.7 5.3 10.5 24.0 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.816 87.0 67.0 -61.7 -28.1 5.5 7.8 21.2 82 82 A A G X S+ 0 0 29 -3,-1.8 3,-1.0 1,-0.3 9,-0.3 0.786 91.2 62.4 -57.2 -31.6 1.7 7.8 21.3 83 83 A L G < S+ 0 0 1 -3,-1.9 -28,-0.5 -4,-0.5 -1,-0.3 0.476 97.4 58.1 -76.8 -1.5 1.9 11.3 20.0 84 84 A L G < S+ 0 0 42 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.387 81.7 121.3-107.5 2.2 3.6 10.1 16.8 85 85 A S S < S- 0 0 47 -3,-1.0 6,-0.1 -4,-0.2 -3,-0.0 -0.257 75.0-120.0 -65.4 150.7 0.9 7.7 15.7 86 86 A S S S+ 0 0 78 1,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.769 105.0 71.7 -48.8 -37.6 -1.0 7.7 12.5 87 87 A D S > S- 0 0 91 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.836 73.4-157.7 -89.3 118.9 -4.1 8.1 14.7 88 88 A I T 3> + 0 0 3 -2,-0.6 4,-3.2 1,-0.2 5,-0.2 0.401 62.3 106.7 -83.6 4.3 -4.2 11.6 16.3 89 89 A T H 3> S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.908 81.2 45.6 -46.9 -52.9 -6.5 10.7 19.3 90 90 A A H <> S+ 0 0 23 -3,-0.5 4,-1.9 -8,-0.3 -1,-0.2 0.912 114.9 48.7 -64.1 -38.2 -3.7 10.8 21.9 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-3.0 -4,-0.3 -1,-0.2 0.938 112.6 47.4 -67.2 -47.2 -2.5 14.1 20.5 92 92 A V H X S+ 0 0 2 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.941 112.2 48.4 -58.4 -50.7 -6.0 15.7 20.4 93 93 A N H X S+ 0 0 70 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.834 114.3 47.1 -58.4 -34.8 -6.9 14.6 24.0 94 94 A d H X S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.3 3,-0.5 0.933 107.9 55.2 -73.6 -44.8 -3.6 15.9 25.3 95 95 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.847 103.1 57.3 -54.9 -35.3 -4.0 19.2 23.4 96 96 A K H X S+ 0 0 41 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.900 108.0 46.7 -64.9 -40.0 -7.4 19.7 25.1 97 97 A K H < S+ 0 0 103 -4,-1.1 4,-0.4 -3,-0.5 3,-0.3 0.938 114.5 47.7 -61.8 -46.5 -5.6 19.5 28.4 98 98 A I H >< S+ 0 0 9 -4,-2.6 3,-1.6 1,-0.2 5,-0.4 0.928 111.0 48.8 -60.4 -51.1 -2.9 21.9 27.3 99 99 A V H 3< S+ 0 0 3 -4,-3.1 5,-0.4 1,-0.3 3,-0.4 0.669 111.2 51.9 -70.0 -18.4 -5.2 24.5 25.8 100 100 A S T 3< S+ 0 0 32 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.476 84.2 92.9 -83.8 -8.8 -7.3 24.4 29.0 101 101 A D S < S- 0 0 106 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.1 0.554 109.3 -88.0 -78.7 -10.8 -4.3 25.0 31.2 102 102 A G S S+ 0 0 60 -3,-0.4 -1,-0.1 -4,-0.2 -3,-0.1 0.102 115.0 64.5 136.7 -23.5 -4.7 28.8 31.2 103 103 A N S > S- 0 0 118 -5,-0.4 3,-1.9 1,-0.3 4,-0.1 0.296 82.5-150.1-109.8 12.8 -2.9 30.4 28.3 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.3 1,-0.3 -1,-0.3 -0.277 69.6 -13.8 56.0-137.6 -5.1 28.9 25.7 105 105 A M G > S+ 0 0 0 1,-0.2 3,-2.1 2,-0.2 7,-0.3 0.549 115.0 89.7 -77.6 -5.3 -3.3 28.3 22.4 106 106 A N G < + 0 0 46 -3,-1.9 -1,-0.2 1,-0.3 6,-0.2 0.747 69.2 81.5 -59.0 -22.4 -0.4 30.6 23.4 107 107 A A G < S+ 0 0 52 -3,-1.3 2,-0.9 1,-0.2 -1,-0.3 0.804 83.4 67.6 -42.5 -37.4 1.0 27.2 24.8 108 108 A W S X> S- 0 0 7 -3,-2.1 4,-2.1 1,-0.2 3,-0.6 -0.827 74.3-162.2 -93.2 99.8 2.1 26.7 21.1 109 109 A V H 3> S+ 0 0 79 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.884 91.3 53.7 -44.9 -45.3 4.8 29.2 20.4 110 110 A A H 3> S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 5,-0.4 0.846 107.3 52.7 -62.6 -35.0 4.3 28.8 16.6 111 111 A W H <>>S+ 0 0 11 -3,-0.6 5,-2.6 -6,-0.2 4,-2.0 0.950 111.4 44.2 -61.5 -51.3 0.6 29.5 17.0 112 112 A R H <5S+ 0 0 103 -4,-2.1 -2,-0.2 -7,-0.3 -3,-0.1 0.964 121.8 38.5 -64.9 -41.3 1.1 32.7 18.9 113 113 A N H <5S+ 0 0 102 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.731 133.5 17.9 -83.4 -18.5 3.9 33.9 16.5 114 114 A R H <5S+ 0 0 140 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.650 131.6 29.5-129.1 -18.4 2.4 32.7 13.2 115 115 A b T ><5S+ 0 0 0 -4,-2.0 3,-2.1 -5,-0.4 -3,-0.2 0.704 86.1 103.0-110.7 -43.2 -1.3 32.0 13.5 116 116 A K T 3 + 0 0 117 1,-0.2 3,-1.4 -2,-0.1 4,-0.3 -0.513 56.0 166.9 -83.0 79.9 -6.8 34.7 8.8 120 120 A V G > + 0 0 17 -2,-2.0 3,-1.7 1,-0.3 4,-0.3 0.725 62.6 77.3 -73.2 -22.7 -7.0 31.2 10.2 121 121 A Q G > S+ 0 0 58 1,-0.3 3,-1.8 -3,-0.2 -1,-0.3 0.817 82.5 69.5 -50.6 -38.1 -10.2 30.4 8.3 122 122 A A G X S+ 0 0 52 -3,-1.4 3,-1.7 1,-0.3 -1,-0.3 0.789 84.9 67.8 -54.6 -29.6 -8.1 30.0 5.2 123 123 A W G < S+ 0 0 56 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.687 104.3 42.8 -70.8 -14.1 -6.6 26.8 6.7 124 124 A I G X S+ 0 0 48 -3,-1.8 3,-1.4 -4,-0.3 -1,-0.3 0.291 86.5 125.6-111.0 14.3 -9.9 25.1 6.4 125 125 A R T < S+ 0 0 72 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.825 74.6 24.3 -30.4 -78.9 -10.5 26.6 2.9 126 126 A G T 3 S+ 0 0 66 -4,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.424 95.4 129.6 -82.5 11.1 -11.2 23.8 0.4 127 127 A a < - 0 0 19 -3,-1.4 2,-1.3 1,-0.1 -3,-0.0 -0.451 56.9-140.9 -94.9 134.1 -12.5 21.3 3.0 128 128 A R 0 0 241 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.670 360.0 360.0 -84.7 94.5 -15.6 19.2 3.1 129 129 A L 0 0 108 -2,-1.3 -1,-0.2 -5,-0.1 -2,-0.0 0.842 360.0 360.0-111.8 360.0 -16.4 19.6 6.8