==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-11 3SBB . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.LAGANOWSKY,A.B.SORIAGA,M.ZHAO,M.R.SAWAYA,D.CASCIO,T.O.YEAT . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 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 0 C P 0 0 152 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.4 11.6 -0.8 11.0 2 1 C M + 0 0 48 4,-0.1 2,-0.3 3,-0.1 157,-0.1 -0.673 360.0 137.1 -95.3 141.4 15.0 -2.4 11.8 3 2 C N > - 0 0 64 -2,-0.3 4,-2.5 156,-0.1 5,-0.2 -0.915 67.4 -76.2-163.7-178.4 18.1 -1.9 9.7 4 3 C I H > S+ 0 0 37 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.867 126.8 53.2 -66.5 -33.4 21.8 -1.3 10.3 5 4 C F H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 112.7 44.1 -62.3 -47.4 21.3 2.4 11.2 6 5 C E H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.868 113.0 53.4 -68.4 -34.0 18.8 1.5 13.9 7 6 C M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.950 113.5 40.5 -61.9 -51.9 21.0 -1.4 15.1 8 7 C L H X>S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.6 0.801 107.8 62.5 -73.5 -26.3 24.0 0.8 15.5 9 8 C R H X5S+ 0 0 61 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.936 109.0 43.4 -57.8 -44.5 21.9 3.6 17.0 10 9 C I H <5S+ 0 0 83 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.939 121.1 39.8 -65.8 -45.1 21.0 1.2 19.8 11 10 C D H <5S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.827 133.5 18.6 -77.8 -31.9 24.6 -0.1 20.2 12 11 C E H <5S- 0 0 46 -4,-3.2 19,-0.4 -5,-0.1 -3,-0.2 0.465 105.4-123.0-116.8 -9.2 26.6 3.2 19.8 13 12 C G << - 0 0 25 -4,-1.4 2,-0.5 -5,-0.6 18,-0.2 0.124 12.5-105.7 83.7 158.3 23.9 5.8 20.5 14 13 C L + 0 0 38 16,-0.1 2,-0.5 -5,-0.1 16,-0.2 -0.942 40.8 177.7-122.3 107.6 22.7 8.6 18.3 15 14 C R E -A 29 0A 122 14,-2.2 14,-2.9 -2,-0.5 4,-0.1 -0.949 17.9-170.7-118.7 119.8 24.0 11.9 19.7 16 15 C L E S+ 0 0 66 -2,-0.5 43,-2.7 12,-0.2 2,-0.4 0.620 72.0 61.1 -87.2 -11.7 23.2 15.1 17.9 17 16 C K E S-C 58 0B 96 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.913 99.5 -93.9-115.4 141.1 25.6 17.3 19.9 18 17 C I E + 0 0 22 39,-2.4 2,-0.3 -2,-0.4 10,-0.2 -0.231 54.8 169.4 -49.0 136.5 29.3 16.9 20.2 19 18 C Y E -A 27 0A 38 8,-2.4 8,-2.8 6,-0.1 2,-0.5 -0.925 37.4 -99.5-144.7 165.9 30.2 14.8 23.2 20 19 C K E -A 26 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.807 36.0-141.1 -93.4 130.2 33.3 13.0 24.7 21 20 C D > - 0 0 38 4,-2.5 3,-2.2 -2,-0.5 -1,-0.1 0.007 41.9 -78.5 -75.6-174.2 33.5 9.3 24.0 22 21 C T T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.654 134.6 50.0 -67.5 -14.0 34.8 6.7 26.6 23 22 C E T 3 S- 0 0 123 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.241 122.8-104.6-102.0 9.3 38.4 7.8 25.8 24 23 C G S < S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.579 75.2 137.5 83.2 11.8 37.6 11.5 26.2 25 24 C Y - 0 0 80 1,-0.1 -4,-2.5 9,-0.0 -1,-0.2 -0.737 62.2-100.4-100.8 142.5 37.6 12.4 22.5 26 25 C Y E +AB 20 35A 33 9,-0.6 8,-2.8 11,-0.4 9,-1.3 -0.345 53.4 164.3 -64.4 126.9 35.1 14.6 20.7 27 26 C T E -AB 19 33A 3 -8,-2.8 -8,-2.4 6,-0.3 2,-0.3 -0.878 15.1-175.6-140.8 157.7 32.5 12.5 18.9 28 27 C I E > + B 0 32A 0 4,-2.0 4,-2.2 -2,-0.3 -12,-0.2 -0.977 50.3 7.7-153.3 166.9 29.1 13.0 17.3 29 28 C G E 4 S-A 15 0A 0 -14,-2.9 -14,-2.2 -2,-0.3 2,-1.0 -0.383 123.9 -5.0 69.1-133.2 26.3 11.0 15.6 30 29 C I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.759 128.5 -53.7 -98.7 81.4 26.7 7.3 15.7 31 30 C G T 4 S+ 0 0 27 -2,-1.0 2,-0.9 -19,-0.4 -2,-0.2 0.688 85.4 163.0 62.6 23.1 30.1 7.0 17.3 32 31 C H E < -B 28 0A 30 -4,-2.2 -4,-2.0 1,-0.0 2,-0.3 -0.636 31.7-142.5 -84.2 108.2 31.8 9.3 14.8 33 32 C L E -B 27 0A 78 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.502 18.7-177.2 -68.4 123.9 35.1 10.5 16.1 34 33 C L E - 0 0 16 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.865 60.5 -29.8 -88.2 -44.6 35.8 14.1 15.1 35 34 C T E -B 26 0A 29 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.962 33.4-137.0-168.2 152.8 39.2 14.6 16.6 36 35 C K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.464 72.8 115.6 -89.4 -9.1 41.6 13.6 19.3 37 36 C S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.379 72.2-132.8 -57.5 136.2 42.6 17.3 19.8 38 37 C P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.470 77.9 104.0 -73.1 4.9 41.5 18.5 23.2 39 38 C S > - 0 0 49 1,-0.2 4,-1.9 -13,-0.0 3,-0.2 -0.740 57.7-160.9 -94.1 119.0 40.1 21.6 21.5 40 39 C L H > S+ 0 0 68 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.879 97.2 57.7 -62.3 -34.8 36.3 21.8 21.2 41 40 C N H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 104.0 51.4 -60.2 -39.3 36.9 24.5 18.5 42 41 C A H > S+ 0 0 30 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.912 110.1 49.5 -63.7 -42.2 39.0 21.9 16.5 43 42 C A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.918 111.1 48.9 -63.2 -42.4 36.2 19.4 16.8 44 43 C K H X S+ 0 0 53 -4,-2.6 4,-2.7 2,-0.2 11,-0.2 0.875 109.8 52.8 -65.3 -35.6 33.7 22.0 15.6 45 44 C S H X S+ 0 0 74 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.926 110.6 46.3 -66.0 -45.3 36.0 22.9 12.7 46 45 C E H X S+ 0 0 104 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 114.4 48.9 -61.2 -43.5 36.2 19.2 11.6 47 46 C L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.928 109.3 50.5 -61.9 -47.4 32.5 18.9 11.9 48 47 C D H X>S+ 0 0 41 -4,-2.7 4,-2.4 1,-0.2 5,-0.8 0.866 111.2 49.5 -62.3 -36.7 31.7 22.0 9.9 49 48 C K H <5S+ 0 0 101 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.910 112.9 47.2 -67.3 -41.3 34.0 20.8 7.1 50 49 C A H <5S+ 0 0 39 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.867 121.5 35.4 -66.7 -37.7 32.4 17.4 7.0 51 50 C I H <5S- 0 0 28 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.768 97.4-131.1 -91.2 -29.4 28.8 18.7 7.0 52 51 C G T <5S+ 0 0 72 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.731 75.0 92.6 83.3 26.0 29.3 21.9 4.9 53 52 C R S - 0 0 7 -2,-1.2 3,-1.3 -11,-0.2 -1,-0.2 0.667 35.2-138.9 -87.6 -20.6 26.8 23.7 13.0 56 55 C N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.670 75.5 -60.7 64.6 17.3 27.7 25.2 16.3 57 56 C G T 3 S+ 0 0 3 1,-0.2 -39,-2.4 -13,-0.2 2,-0.4 0.585 118.4 103.4 86.0 12.0 28.5 21.5 17.3 58 57 C V B < -C 17 0B 66 -3,-1.3 -41,-0.2 -41,-0.2 2,-0.2 -0.995 46.9-174.5-132.0 127.7 24.9 20.2 16.7 59 58 C I - 0 0 5 -43,-2.7 2,-0.2 -2,-0.4 -30,-0.1 -0.680 24.2-109.9-116.4 167.6 23.8 18.2 13.7 60 59 C T > - 0 0 67 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.518 33.1-108.6 -88.2 166.7 20.5 16.9 12.4 61 60 C K H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 121.8 52.7 -60.2 -41.0 19.5 13.2 12.3 62 61 C D H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 108.9 49.0 -64.0 -38.8 19.8 13.3 8.6 63 62 C E H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 110.5 51.5 -63.4 -42.3 23.3 14.7 8.8 64 63 C A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -34,-0.4 0.876 108.3 51.6 -61.2 -36.8 24.1 12.0 11.4 65 64 C E H X S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.871 107.0 53.5 -70.1 -33.8 22.9 9.4 9.0 66 65 C K H X S+ 0 0 121 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.945 112.0 44.0 -62.3 -49.7 25.1 10.8 6.2 67 66 C L H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.908 112.4 54.5 -60.6 -41.5 28.2 10.5 8.5 68 67 C F H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.928 107.2 48.8 -59.2 -45.6 27.0 7.1 9.5 69 68 C N H X S+ 0 0 71 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.851 108.4 54.2 -65.6 -33.0 26.8 5.9 5.9 70 69 C Q H X S+ 0 0 89 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.908 111.1 46.6 -60.4 -42.8 30.3 7.2 5.3 71 70 C D H X S+ 0 0 40 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.864 110.1 52.1 -70.1 -36.9 31.4 5.2 8.3 72 71 C V H X S+ 0 0 15 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.942 109.8 50.0 -61.7 -45.0 29.6 2.1 7.0 73 72 C D H X S+ 0 0 103 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 110.1 50.4 -61.5 -41.8 31.3 2.4 3.6 74 73 C A H X S+ 0 0 57 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.895 111.3 49.0 -61.8 -40.4 34.7 2.7 5.3 75 74 C A H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.4 48.8 -64.2 -44.5 33.9 -0.4 7.4 76 75 C V H X S+ 0 0 25 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.923 111.2 50.0 -64.8 -41.8 32.8 -2.4 4.3 77 76 C C H X S+ 0 0 78 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.891 110.1 49.8 -64.4 -38.3 35.9 -1.3 2.4 78 77 C G H < S+ 0 0 19 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.916 111.8 49.9 -64.5 -40.3 38.2 -2.4 5.3 79 78 C I H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 7,-0.5 0.937 109.6 50.3 -59.3 -47.5 36.4 -5.7 5.4 80 79 C L H 3< S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.743 110.4 50.1 -69.3 -21.9 36.8 -6.2 1.6 81 80 C C T 3< S+ 0 0 125 -4,-1.4 2,-0.6 -3,-0.2 -1,-0.3 0.313 94.4 88.3 -95.0 7.6 40.6 -5.4 1.8 82 81 C N <> - 0 0 33 -3,-1.6 4,-3.0 -4,-0.1 3,-0.3 -0.930 68.4-149.4-112.6 121.6 41.1 -7.9 4.6 83 82 C A T 4 S+ 0 0 93 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.733 98.2 47.2 -62.3 -24.4 41.9 -11.5 3.6 84 83 C K T 4 S+ 0 0 75 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.816 119.8 36.8 -82.7 -34.0 40.2 -12.9 6.8 85 84 C L T > S+ 0 0 0 -3,-0.3 4,-2.9 -6,-0.2 3,-0.3 0.859 102.1 68.6 -88.7 -38.0 37.1 -10.8 6.6 86 85 C K H X S+ 0 0 83 -4,-3.0 4,-2.9 -7,-0.5 5,-0.2 0.902 100.1 46.5 -54.4 -50.2 36.3 -10.6 2.8 87 86 C P H > S+ 0 0 46 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.862 114.7 48.7 -66.5 -29.3 35.4 -14.2 2.2 88 87 C V H >> S+ 0 0 2 -4,-0.4 4,-0.9 -3,-0.3 3,-0.7 0.966 113.1 46.5 -68.2 -50.9 33.2 -14.3 5.3 89 88 C Y H >< S+ 0 0 22 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.903 108.9 55.6 -56.5 -42.8 31.4 -11.0 4.3 90 89 C D H 3< S+ 0 0 77 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.823 110.6 46.8 -59.2 -32.7 31.0 -12.3 0.7 91 90 C S H << S+ 0 0 36 -4,-1.1 -1,-0.2 -3,-0.7 2,-0.2 0.604 96.8 93.0 -86.7 -15.3 29.2 -15.4 2.1 92 91 C L << - 0 0 9 -3,-1.0 2,-0.1 -4,-0.9 31,-0.0 -0.550 69.4-125.5 -89.1 148.4 26.9 -13.6 4.5 93 92 C D > - 0 0 59 -2,-0.2 4,-2.5 1,-0.0 5,-0.2 -0.229 42.5 -90.2 -71.1 171.0 23.3 -12.3 4.2 94 93 C A H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.857 123.1 48.9 -58.5 -42.3 22.4 -8.7 4.9 95 94 C V H > S+ 0 0 23 2,-0.2 4,-1.6 62,-0.2 -1,-0.2 0.945 114.4 43.5 -68.9 -46.9 21.5 -9.1 8.6 96 95 C R H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 109.9 57.8 -67.7 -32.1 24.7 -11.0 9.4 97 96 C R H X S+ 0 0 75 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.899 103.6 53.9 -57.7 -40.8 26.7 -8.6 7.4 98 97 C A H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.897 106.4 51.8 -61.8 -39.7 25.2 -5.8 9.7 99 98 C A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.909 110.7 47.5 -61.8 -40.4 26.5 -7.8 12.7 100 99 C L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 112.4 48.7 -67.6 -44.1 30.0 -8.0 11.2 101 100 C I H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.879 107.1 57.7 -59.8 -39.2 30.0 -4.2 10.3 102 101 C N H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.943 105.3 49.4 -57.7 -46.1 28.8 -3.6 13.9 103 102 C M H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.897 109.2 52.5 -60.3 -41.2 31.9 -5.3 15.2 104 103 C V H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.911 105.8 54.0 -62.0 -40.7 34.1 -3.2 12.9 105 104 C F H < S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.2 41.9 -56.0 -40.3 32.5 -0.0 14.3 106 105 C Q H < S+ 0 0 55 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.904 137.3 3.9 -75.8 -41.8 33.4 -1.2 17.7 107 106 C M H X S- 0 0 58 -4,-2.7 4,-0.5 -5,-0.1 -3,-0.2 0.423 99.3-111.3-132.2 -2.0 36.9 -2.5 17.3 108 107 C G H X - 0 0 21 -4,-2.3 4,-2.1 -5,-0.4 5,-0.2 0.091 39.5 -73.0 84.7 160.4 38.1 -1.9 13.7 109 108 C E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.894 130.3 50.7 -60.1 -44.2 38.8 -4.3 10.9 110 109 C T H > S+ 0 0 120 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.885 109.4 52.6 -64.5 -35.6 42.0 -5.7 12.3 111 110 C G H >< S+ 0 0 29 -4,-0.5 3,-0.8 1,-0.2 4,-0.2 0.917 111.8 44.1 -63.7 -43.9 40.3 -6.4 15.6 112 111 C V H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.900 105.4 63.1 -70.0 -36.9 37.5 -8.3 14.0 113 112 C A H 3< S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.689 89.1 72.4 -59.0 -18.8 40.0 -10.2 11.8 114 113 C G T << S+ 0 0 54 -3,-0.8 2,-2.3 -4,-0.6 -1,-0.3 0.680 72.3 85.6 -71.3 -17.3 41.5 -11.6 15.0 115 114 C F <> + 0 0 42 -3,-1.9 4,-2.8 -4,-0.2 5,-0.3 -0.367 55.3 160.1 -82.9 64.2 38.5 -14.0 15.6 116 115 C T H > + 0 0 81 -2,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.861 66.8 42.1 -65.2 -39.6 40.0 -16.6 13.4 117 116 C N H > S+ 0 0 80 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 116.8 47.3 -71.4 -43.8 38.1 -19.7 14.6 118 117 C S H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.879 109.9 53.7 -65.8 -38.5 34.7 -17.9 14.9 119 118 C L H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.901 107.8 50.6 -60.3 -43.0 35.1 -16.4 11.4 120 119 C R H X S+ 0 0 111 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.919 108.9 52.1 -61.5 -43.3 35.8 -19.8 9.9 121 120 C M H <>S+ 0 0 12 -4,-2.2 5,-2.8 1,-0.2 -2,-0.2 0.924 109.0 49.9 -59.3 -43.9 32.6 -21.1 11.6 122 121 C L H ><5S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.917 107.9 52.7 -60.9 -43.0 30.6 -18.2 10.1 123 122 C Q H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.9 49.9 -60.8 -31.5 31.9 -18.9 6.7 124 123 C Q T 3<5S- 0 0 97 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.350 116.5-115.9 -88.6 5.3 30.8 -22.5 7.2 125 124 C K T < 5 + 0 0 111 -3,-1.7 2,-1.5 1,-0.2 3,-0.2 0.723 68.4 144.0 64.9 28.0 27.3 -21.5 8.3 126 125 C R >< + 0 0 124 -5,-2.8 4,-2.6 1,-0.2 5,-0.2 -0.541 19.2 165.8 -92.6 69.1 27.9 -22.9 11.8 127 126 C W H > + 0 0 55 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.895 67.5 41.9 -60.2 -51.3 26.0 -20.1 13.4 128 127 C D H > S+ 0 0 90 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.887 113.7 52.6 -66.6 -38.2 25.5 -21.5 16.9 129 128 C E H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 111.2 47.8 -63.3 -41.2 29.0 -22.8 17.1 130 129 C A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.923 112.6 49.9 -61.2 -44.7 30.3 -19.4 16.2 131 130 C A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.896 109.1 49.8 -63.6 -44.9 28.0 -17.7 18.7 132 131 C V H < S+ 0 0 63 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.907 113.6 47.8 -60.1 -39.7 29.1 -20.0 21.6 133 132 C N H >< S+ 0 0 54 -4,-2.0 3,-1.5 -5,-0.2 -2,-0.2 0.934 109.5 50.8 -68.1 -45.3 32.7 -19.3 20.8 134 133 C L H >< S+ 0 0 4 -4,-2.8 3,-1.7 1,-0.3 6,-0.5 0.848 101.7 62.8 -62.1 -33.1 32.3 -15.5 20.6 135 134 C A T 3< S+ 0 0 38 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.645 97.5 58.6 -69.6 -11.6 30.5 -15.5 24.0 136 135 C K T < S+ 0 0 153 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.438 90.0 109.0 -90.0 1.0 33.7 -16.8 25.6 137 136 C S S <> S- 0 0 18 -3,-1.7 4,-2.1 -4,-0.2 5,-0.1 -0.285 80.1-121.5 -88.8 160.5 35.8 -13.9 24.3 138 137 C R H > S+ 0 0 189 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.876 115.3 61.5 -59.5 -38.4 37.3 -10.9 26.0 139 138 C W H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 105.5 46.3 -51.7 -51.2 35.2 -8.8 23.7 140 139 C Y H 4 S+ 0 0 62 -6,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.933 111.1 50.9 -59.5 -45.4 32.1 -10.3 25.3 141 140 C N H < S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.4 47.5 -63.6 -36.7 33.3 -9.8 28.8 142 141 C Q H < S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.878 132.5 13.6 -70.9 -41.1 34.1 -6.2 28.2 143 142 C T S X S+ 0 0 47 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.3 -0.635 74.4 163.7-136.7 73.9 30.8 -5.2 26.5 144 143 C P H > S+ 0 0 48 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.799 71.0 52.8 -73.4 -29.4 28.4 -8.1 27.2 145 144 C N H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.948 116.3 39.2 -71.2 -47.0 25.1 -6.4 26.4 146 145 C R H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 116.9 50.8 -63.5 -46.9 26.3 -5.3 23.0 147 146 C A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.912 108.0 53.0 -61.2 -41.1 28.1 -8.5 22.3 148 147 C K H X S+ 0 0 126 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.917 110.4 47.4 -61.0 -40.4 25.1 -10.6 23.3 149 148 C R H X S+ 0 0 66 -4,-1.7 4,-1.7 2,-0.2 12,-0.2 0.923 114.7 45.8 -65.1 -43.8 22.9 -8.7 20.8 150 149 C V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.922 113.6 49.3 -66.4 -42.8 25.5 -9.0 18.0 151 150 C I H X S+ 0 0 5 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.914 108.2 53.0 -64.0 -40.3 26.0 -12.7 18.7 152 151 C T H X S+ 0 0 33 -4,-2.6 4,-2.9 -5,-0.3 6,-0.4 0.874 106.5 54.9 -59.6 -37.6 22.2 -13.3 18.7 153 152 C T H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.917 110.3 44.8 -62.3 -45.4 22.2 -11.6 15.3 154 153 C F H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.892 115.8 47.8 -63.3 -40.4 24.8 -14.1 14.0 155 154 C R H < S+ 0 0 87 -4,-2.7 -2,-0.2 -5,-0.2 -27,-0.2 0.950 126.5 24.1 -66.3 -47.2 23.0 -17.1 15.6 156 155 C T H < S- 0 0 59 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.715 86.0-137.6 -93.9 -26.4 19.5 -16.2 14.3 157 156 C G S < S+ 0 0 18 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.726 72.0 103.1 67.5 20.4 20.1 -14.1 11.2 158 157 C T S S- 0 0 44 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.790 83.3-117.7-124.0 170.6 17.3 -11.9 12.4 159 158 C W S >> S+ 0 0 54 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 0.174 73.5 122.0 -88.9 16.3 17.0 -8.5 14.1 160 159 C D G >4 + 0 0 107 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.778 64.8 59.1 -57.0 -31.6 15.3 -10.1 17.1 161 160 C A G 34 S+ 0 0 31 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.649 109.3 46.1 -72.6 -12.3 17.9 -8.8 19.6 162 161 C Y G <4 0 0 14 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.418 360.0 360.0-108.2 -2.0 17.1 -5.2 18.6 163 162 C K << 0 0 135 -3,-0.9 -3,-0.0 -4,-0.5 0, 0.0 -0.574 360.0 360.0 -82.8 360.0 13.3 -5.4 18.6