==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-91 1L75 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR X.ZHANG,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 2 0 0 1 1 0 0 0 0 0 0 1 1 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 1 A M 0 0 82 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.4 43.8 -1.9 8.2 2 2 A N > - 0 0 68 95,-0.0 4,-2.5 1,-0.0 5,-0.2 -0.878 360.0 -92.1-137.5 171.9 40.8 -0.9 10.4 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.817 124.5 51.9 -53.9 -35.7 38.5 2.1 10.7 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 111.6 43.3 -68.1 -49.0 40.8 3.6 13.4 5 5 A E H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.894 114.1 53.9 -64.3 -38.3 44.0 3.3 11.4 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.939 112.5 41.8 -58.6 -53.8 42.1 4.6 8.4 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.862 108.9 58.3 -66.4 -36.2 40.9 7.7 10.2 8 8 A R H X S+ 0 0 109 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 108.5 47.2 -61.7 -35.1 44.2 8.4 12.0 9 9 A I H < S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.9 45.1 -72.5 -40.5 45.9 8.6 8.6 10 10 A D H < S+ 0 0 17 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.806 124.9 29.2 -76.6 -28.6 43.2 10.9 7.3 11 11 A E H < S- 0 0 39 -4,-2.9 19,-0.3 -5,-0.1 -3,-0.2 0.723 92.3-147.4-100.5 -25.6 42.9 13.3 10.2 12 12 A G < - 0 0 23 -4,-2.2 2,-0.5 -5,-0.4 18,-0.2 -0.024 27.6 -88.3 75.6 170.1 46.4 13.2 11.7 13 13 A L + 0 0 40 16,-0.1 2,-0.4 17,-0.1 16,-0.2 -0.958 47.5 175.7-122.9 114.4 46.9 13.6 15.4 14 14 A R E -A 28 0A 137 14,-1.9 14,-2.3 -2,-0.5 4,-0.1 -0.977 18.7-165.5-123.2 127.7 47.2 17.2 16.8 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.3 12,-0.2 2,-0.4 0.369 70.7 60.0 -92.5 4.1 47.4 18.1 20.4 16 16 A K E S-C 57 0B 102 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.979 98.4 -88.5-132.8 142.2 46.7 21.9 20.3 17 17 A I E + 0 0 17 39,-1.3 2,-0.3 -2,-0.4 10,-0.2 -0.142 56.1 171.4 -43.5 143.5 43.5 23.6 19.0 18 18 A Y E -A 26 0A 35 8,-2.2 8,-2.5 6,-0.1 2,-0.4 -0.933 34.5-104.1-150.0 164.7 43.8 24.3 15.2 19 19 A K E -A 25 0A 118 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.803 34.1-137.2 -98.3 139.2 41.6 25.5 12.3 20 20 A D > - 0 0 47 4,-1.9 3,-1.5 -2,-0.4 -1,-0.1 -0.003 41.6 -80.9 -79.0-166.0 40.4 23.0 10.0 21 21 A T T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.897 135.7 48.9 -62.1 -32.7 40.3 23.4 6.3 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.346 123.3-103.1 -88.6 3.7 37.0 25.4 6.8 23 23 A G S < S+ 0 0 34 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.342 74.9 144.2 91.3 -4.1 38.5 27.5 9.6 24 24 A Y - 0 0 77 -5,-0.1 -4,-1.9 1,-0.1 2,-0.4 -0.450 58.2-107.3 -72.6 141.1 36.7 25.5 12.4 25 25 A Y E +AB 19 34A 25 9,-1.3 8,-3.4 11,-0.3 9,-1.6 -0.490 51.9 163.4 -74.5 122.7 38.3 24.9 15.7 26 26 A T E -AB 18 32A 6 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.3 -0.864 15.0-176.8-131.8 162.3 39.4 21.3 15.9 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.3 -2,-0.3 -12,-0.2 -0.927 50.7 7.5-154.8 166.0 41.7 19.1 18.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.9 -2,-0.3 2,-1.0 -0.305 123.2 -8.7 61.2-132.1 43.0 15.5 18.4 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.718 128.8 -49.5-102.1 78.8 42.0 13.2 15.6 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-0.9 -19,-0.3 -2,-0.2 0.777 84.1 163.2 64.9 32.6 39.5 15.3 13.7 31 31 A H E < -B 27 0A 32 -4,-2.3 -4,-1.5 32,-0.0 -1,-0.2 -0.696 31.5-143.1 -86.4 102.3 37.5 16.3 16.8 32 32 A L E +B 26 0A 76 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.451 21.9 178.2 -62.0 127.4 35.3 19.4 15.8 33 33 A L E - 0 0 19 -8,-3.4 2,-0.3 1,-0.3 -7,-0.2 0.818 58.5 -25.5 -98.8 -48.3 35.1 21.8 18.8 34 34 A T E -B 25 0A 26 -9,-1.6 -9,-1.3 2,-0.1 -1,-0.3 -0.978 32.5-141.2-165.5 149.6 33.1 24.7 17.5 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.617 73.3 116.4 -87.0 -10.4 32.1 26.5 14.3 36 36 A S - 0 0 39 1,-0.1 -11,-0.3 2,-0.1 6,-0.1 -0.376 68.8-138.2 -63.9 130.3 32.3 29.7 16.3 37 37 A P S S+ 0 0 113 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.641 75.5 100.4 -62.0 -21.8 35.0 32.1 15.2 38 38 A S > - 0 0 49 1,-0.2 4,-1.4 -13,-0.0 5,-0.1 -0.594 59.0-159.5 -77.1 124.0 36.0 32.8 18.8 39 39 A L H > S+ 0 0 72 -2,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.661 94.4 64.4 -69.8 -18.1 39.1 30.9 20.1 40 40 A N H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.965 102.4 44.6 -71.0 -47.0 37.7 31.7 23.5 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 109.7 57.3 -63.5 -32.1 34.7 29.5 22.9 42 42 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.926 106.1 49.1 -66.5 -38.5 36.9 26.9 21.4 43 43 A K H X S+ 0 0 45 -4,-1.9 4,-1.5 2,-0.2 11,-0.3 0.836 111.9 49.0 -66.5 -32.4 39.0 26.7 24.6 44 44 A S H X S+ 0 0 80 -4,-1.5 4,-2.1 2,-0.2 3,-0.5 0.967 109.8 50.9 -65.7 -56.9 35.7 26.4 26.7 45 45 A E H X S+ 0 0 58 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.882 109.4 54.0 -44.4 -49.7 34.4 23.7 24.6 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.3 0.863 107.5 45.7 -59.3 -45.3 37.6 21.9 25.0 47 47 A D H X>S+ 0 0 35 -4,-1.5 4,-1.9 -3,-0.5 5,-1.5 0.796 113.4 51.7 -73.1 -25.1 37.7 21.9 28.9 48 48 A K H <5S+ 0 0 144 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.845 109.8 48.5 -74.6 -39.6 34.1 20.8 29.0 49 49 A A H <5S+ 0 0 44 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.886 122.1 34.3 -68.5 -40.4 34.8 17.9 26.6 50 50 A I H <5S- 0 0 40 -4,-1.9 -2,-0.2 2,-0.3 -3,-0.2 0.786 103.9-127.7 -86.0 -30.9 37.9 16.8 28.6 51 51 A G T <5S+ 0 0 65 -4,-1.9 2,-0.3 1,-0.4 -3,-0.2 0.797 78.0 77.5 84.0 30.7 36.6 17.7 32.0 52 52 A R S - 0 0 10 -2,-0.9 3,-0.8 -11,-0.3 -1,-0.2 0.665 35.8-141.7 -98.4 -23.0 43.4 22.3 29.2 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.867 76.1 -56.4 58.5 34.1 44.4 25.8 28.1 56 56 A G T 3 S+ 0 0 1 -13,-0.3 -39,-1.3 1,-0.2 2,-0.4 0.692 120.0 94.9 74.8 23.0 44.0 24.5 24.6 57 57 A V B < -C 16 0B 66 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.997 47.9-178.8-143.7 142.5 46.3 21.6 24.7 58 58 A I - 0 0 6 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.0 -0.840 25.3-101.9-134.5 178.2 45.6 17.9 25.5 59 59 A T > - 0 0 67 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.557 30.7-112.4 -99.5 167.4 47.4 14.6 25.8 60 60 A K H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.912 119.7 54.2 -57.7 -40.5 47.6 11.8 23.4 61 61 A D H > S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.809 108.9 47.5 -62.3 -35.3 45.5 9.7 25.8 62 62 A E H > S+ 0 0 37 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.801 109.8 53.9 -75.5 -34.7 42.8 12.4 25.8 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -34,-0.4 0.921 109.0 49.0 -67.8 -39.4 42.9 12.6 22.0 64 64 A E H X S+ 0 0 77 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.798 107.9 53.3 -67.8 -31.9 42.4 8.9 21.8 65 65 A K H X S+ 0 0 134 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.913 109.3 48.0 -70.1 -41.7 39.5 8.9 24.2 66 66 A L H X S+ 0 0 5 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.935 112.3 51.9 -61.6 -39.9 37.7 11.6 22.1 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.955 106.6 51.4 -62.4 -51.3 38.5 9.4 19.0 68 68 A N H X S+ 0 0 93 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.911 114.9 44.7 -54.4 -39.0 37.0 6.4 20.6 69 69 A Q H X S+ 0 0 97 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.871 112.1 49.8 -71.8 -41.0 33.9 8.4 21.3 70 70 A D H X S+ 0 0 38 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.925 112.1 47.6 -66.7 -40.1 33.6 10.1 17.9 71 71 A V H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.899 111.2 51.0 -65.7 -39.6 33.9 6.8 16.0 72 72 A D H X S+ 0 0 85 -4,-1.4 4,-2.5 -5,-0.4 5,-0.2 0.918 110.0 50.3 -65.5 -38.6 31.3 5.2 18.2 73 73 A A H X S+ 0 0 42 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.868 107.4 53.8 -66.4 -34.6 29.0 8.1 17.6 74 74 A A H X S+ 0 0 7 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.940 111.4 47.0 -62.0 -49.3 29.5 7.9 13.8 75 75 A V H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.928 113.8 44.3 -61.5 -47.7 28.5 4.2 13.9 76 76 A R H X S+ 0 0 120 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.822 110.9 56.2 -69.7 -31.2 25.5 4.5 16.1 77 77 A G H X S+ 0 0 0 -4,-2.0 4,-0.5 -5,-0.2 3,-0.4 0.950 108.3 46.9 -65.6 -41.1 24.3 7.5 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 7,-0.5 0.975 111.6 51.6 -57.4 -52.5 24.5 5.5 10.8 79 79 A L H 3< S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.688 113.2 43.3 -61.5 -23.6 22.6 2.6 12.4 80 80 A R H 3< S+ 0 0 164 -4,-1.2 2,-0.7 -3,-0.4 -1,-0.3 0.396 92.9 104.0 -96.2 -9.7 19.8 4.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 5,-0.2 0.860 102.3 68.0 -87.7 -32.4 22.0 5.7 6.1 85 85 A K H X S+ 0 0 77 -4,-3.1 4,-3.3 -7,-0.5 5,-0.2 0.855 96.3 49.6 -55.0 -49.0 21.2 2.4 7.6 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.866 113.1 51.5 -64.9 -30.5 19.8 0.5 4.6 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-0.7 -3,-0.2 3,-0.5 0.986 110.7 45.0 -68.1 -52.9 22.8 1.6 2.7 88 88 A Y H >< S+ 0 0 38 -4,-2.7 3,-1.8 1,-0.2 -3,-0.2 0.957 111.0 55.0 -54.5 -49.1 25.2 0.4 5.4 89 89 A D H 3< S+ 0 0 78 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.1 54.0 -51.7 -38.7 23.4 -2.9 5.7 90 90 A S H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 -3,-0.5 2,-0.2 0.604 96.3 89.5 -74.9 -14.2 23.7 -3.5 2.0 91 91 A L S << S- 0 0 6 -3,-1.8 31,-0.0 -4,-0.7 5,-0.0 -0.576 73.3-118.1 -96.1 157.8 27.5 -3.1 1.9 92 92 A D > - 0 0 57 -2,-0.2 4,-1.5 1,-0.1 -1,-0.1 -0.113 45.6 -93.0 -70.5 174.8 30.5 -5.3 2.3 93 93 A A H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.885 118.3 46.2 -65.0 -47.2 32.9 -4.6 5.1 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.4 1,-0.2 3,-0.2 0.926 113.7 50.3 -65.4 -43.0 35.5 -2.3 3.5 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.823 104.6 59.2 -62.6 -29.6 32.9 -0.2 1.9 96 96 A R H X S+ 0 0 80 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.892 101.3 54.7 -64.4 -37.7 31.2 0.0 5.3 97 97 A C H X S+ 0 0 22 -4,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.897 104.0 56.4 -62.3 -33.7 34.4 1.6 6.6 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.904 105.9 48.3 -62.9 -44.2 34.2 4.2 3.9 99 99 A L H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.899 110.5 51.1 -64.2 -38.2 30.7 5.3 4.9 100 100 A I H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.925 108.0 54.3 -64.5 -41.8 31.8 5.6 8.6 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.940 109.4 46.5 -56.8 -45.1 34.7 7.7 7.5 102 102 A M H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.886 111.9 50.3 -63.0 -43.8 32.4 10.1 5.7 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.883 107.3 55.3 -66.0 -36.0 30.0 10.3 8.6 104 104 A F H < S+ 0 0 26 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.875 116.3 37.3 -62.7 -38.7 32.9 11.1 11.0 105 105 A Q H < S+ 0 0 57 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 131.8 22.1 -82.3 -44.1 34.0 14.0 8.9 106 106 A M H X S- 0 0 51 -4,-2.8 4,-0.8 1,-0.2 -3,-0.2 0.439 102.4-118.6-105.9 -6.1 30.7 15.5 7.7 107 107 A G H X - 0 0 33 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.150 35.6 -76.2 82.6 158.8 28.2 14.4 10.2 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 131.4 52.0 -59.9 -37.5 25.1 12.2 9.7 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.960 107.0 50.7 -68.0 -47.3 23.3 15.2 8.1 110 110 A G H >< S+ 0 0 34 -4,-0.8 3,-0.7 1,-0.2 4,-0.4 0.952 113.7 45.7 -50.6 -54.1 26.0 16.0 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.832 104.7 60.2 -61.5 -37.1 26.1 12.4 4.4 112 112 A A H 3< S+ 0 0 15 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.854 96.9 64.1 -64.7 -22.8 22.4 12.1 4.2 113 113 A G T << S+ 0 0 53 -4,-1.5 2,-2.5 -3,-0.7 3,-0.3 0.695 76.9 85.7 -71.6 -17.4 22.5 14.9 1.7 114 114 A F <> + 0 0 36 -3,-1.6 4,-2.3 -4,-0.4 5,-0.3 -0.267 57.8 157.7 -78.5 58.0 24.5 12.8 -0.8 115 115 A T H > + 0 0 85 -2,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.892 65.1 44.8 -49.5 -50.0 21.2 11.4 -2.0 116 116 A N H > S+ 0 0 99 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.929 113.3 47.6 -67.7 -44.5 22.3 10.3 -5.4 117 117 A S H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.902 112.0 52.5 -64.0 -37.1 25.6 8.6 -4.4 118 118 A L H X S+ 0 0 15 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.905 108.0 50.8 -62.8 -42.9 23.7 6.7 -1.5 119 119 A R H X S+ 0 0 117 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.920 111.8 46.3 -62.7 -43.3 21.2 5.5 -4.0 120 120 A M H <>S+ 0 0 23 -4,-2.2 5,-2.8 2,-0.2 -1,-0.2 0.755 109.2 55.3 -73.1 -21.9 23.9 4.1 -6.4 121 121 A L H ><5S+ 0 0 4 -4,-1.5 3,-1.4 3,-0.2 -1,-0.2 0.903 108.2 48.4 -72.0 -42.2 25.8 2.5 -3.5 122 122 A Q H 3<5S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.936 113.1 48.1 -57.6 -44.8 22.6 0.7 -2.6 123 123 A Q T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.280 113.6-120.7 -78.4 2.9 22.2 -0.3 -6.3 124 124 A K T < 5 + 0 0 105 -3,-1.4 2,-1.2 1,-0.2 -3,-0.2 0.686 64.8 141.9 58.8 31.1 25.8 -1.4 -6.4 125 125 A R >< + 0 0 141 -5,-2.8 4,-1.8 1,-0.2 -1,-0.2 -0.709 22.9 176.2-101.3 82.6 26.8 0.9 -9.2 126 126 A W H > S+ 0 0 61 -2,-1.2 4,-2.0 1,-0.2 5,-0.2 0.862 71.6 51.8 -56.2 -47.7 30.2 1.8 -8.0 127 127 A A H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 110.6 48.4 -63.9 -37.8 31.4 3.9 -10.8 128 128 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 108.8 52.7 -70.4 -34.3 28.3 6.1 -10.7 129 129 A A H X S+ 0 0 3 -4,-1.8 4,-3.0 -9,-0.2 -1,-0.2 0.936 109.7 49.6 -63.8 -44.6 28.5 6.6 -6.9 130 130 A A H X S+ 0 0 17 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.881 111.1 49.8 -60.6 -42.9 32.2 7.8 -7.2 131 131 A A H X S+ 0 0 48 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.870 112.9 46.0 -67.7 -39.6 31.4 10.2 -9.9 132 132 A A H >< S+ 0 0 22 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.945 111.4 49.8 -70.0 -44.3 28.5 11.7 -8.0 133 133 A A H 3< S+ 0 0 4 -4,-3.0 6,-0.4 1,-0.3 -2,-0.2 0.851 102.6 63.4 -63.2 -31.1 30.4 12.0 -4.8 134 134 A A H 3< S+ 0 0 30 -4,-1.8 2,-1.4 1,-0.2 -1,-0.3 0.680 88.7 72.6 -65.2 -20.4 33.3 13.7 -6.6 135 135 A K S << S+ 0 0 164 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.646 83.1 101.6 -96.0 76.1 31.0 16.6 -7.5 136 136 A S S > S- 0 0 19 -2,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.986 83.1-116.6-152.6 158.1 30.8 18.0 -4.1 137 137 A R H > S+ 0 0 137 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.926 116.1 60.4 -58.3 -47.7 32.1 20.8 -1.9 138 138 A W H > S+ 0 0 18 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.898 106.4 48.1 -42.7 -51.1 33.7 18.0 0.3 139 139 A Y H 4 S+ 0 0 52 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.896 112.1 46.0 -62.2 -48.6 35.7 16.9 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.8 48.9 -70.2 -28.1 36.8 20.2 -3.7 141 141 A Q H < S+ 0 0 72 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 127.3 17.3 -77.4 -41.8 37.9 21.2 -0.1 142 142 A T S X S+ 0 0 27 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 -0.652 74.6 168.2-130.7 79.9 39.9 18.1 0.9 143 143 A P H > + 0 0 50 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.812 69.5 50.6 -66.8 -38.6 40.7 16.4 -2.3 144 144 A N H > S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.903 115.1 43.3 -68.1 -40.3 43.3 13.9 -1.3 145 145 A R H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.896 112.7 52.0 -64.9 -50.5 41.2 12.5 1.5 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.951 108.6 51.7 -53.2 -46.2 38.0 12.5 -0.6 147 147 A K H X S+ 0 0 94 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.895 109.9 49.8 -56.9 -44.5 39.8 10.5 -3.4 148 148 A R H X S+ 0 0 64 -4,-1.5 4,-1.4 -5,-0.2 12,-0.2 0.947 114.3 43.2 -61.6 -47.1 41.0 7.9 -0.9 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.936 116.0 49.3 -65.8 -43.1 37.5 7.5 0.6 150 150 A I H X S+ 0 0 12 -4,-3.4 4,-2.2 -5,-0.3 -2,-0.2 0.946 108.9 51.2 -61.3 -45.8 35.9 7.4 -2.8 151 151 A T H X S+ 0 0 33 -4,-2.7 4,-2.5 -5,-0.3 6,-0.4 0.854 106.9 57.0 -60.3 -30.8 38.3 4.9 -4.1 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 5,-0.4 0.946 111.0 41.2 -65.4 -46.0 37.5 2.8 -1.1 153 153 A F H < S+ 0 0 13 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.744 113.9 53.5 -67.0 -37.3 33.9 2.8 -1.9 154 154 A R H < S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.966 122.1 26.0 -63.5 -54.5 34.5 2.3 -5.6 155 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.479 87.0-131.6 -88.2 -15.6 36.7 -0.7 -5.2 156 156 A G S < S+ 0 0 15 -4,-1.9 2,-0.3 1,-0.2 -62,-0.2 0.745 74.3 103.0 66.0 16.8 35.8 -2.4 -2.0 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.4 -1,-0.2 -0.871 76.7-125.4-131.0 171.4 39.6 -2.5 -1.1 158 158 A W > + 0 0 39 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 0.302 69.2 120.5 -95.5 16.0 42.0 -0.8 1.0 159 159 A D G > + 0 0 100 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.780 65.5 59.1 -48.8 -40.1 44.4 0.0 -1.8 160 160 A A G 3 S+ 0 0 36 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.638 107.6 47.9 -65.6 -17.0 44.3 3.8 -1.4 161 161 A Y G < 0 0 20 -3,-2.1 -1,-0.2 -13,-0.1 -2,-0.2 0.375 360.0 360.0-103.2 2.9 45.6 3.5 2.2 162 162 A K < 0 0 163 -3,-1.2 -2,-0.1 -4,-0.4 -3,-0.1 0.608 360.0 360.0-111.4 360.0 48.3 1.1 1.2