==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1C64 . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 161.6 43.4 -1.9 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.926 360.0 -75.3-158.2-179.9 40.2 -0.8 10.6 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.844 123.7 49.9 -52.1 -45.4 38.1 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 115.0 41.4 -65.2 -51.3 40.2 3.6 14.1 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.880 113.6 57.3 -64.1 -35.5 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.965 112.1 37.1 -56.6 -56.9 41.9 4.6 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.837 109.7 63.0 -69.2 -25.2 40.6 7.9 10.8 8 8 A R H X S+ 0 0 105 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.866 107.2 46.6 -68.8 -29.0 43.8 8.2 12.9 9 9 A I H < S+ 0 0 89 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.927 115.8 42.2 -73.0 -45.9 45.6 8.5 9.6 10 10 A D H < S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.788 124.7 34.1 -71.3 -29.3 43.3 10.9 8.1 11 11 A E H < S- 0 0 46 -4,-2.6 19,-0.4 1,-0.2 -1,-0.2 0.666 90.2-153.7-101.1 -25.3 42.9 13.2 11.2 12 12 A G < - 0 0 24 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.2 -0.174 23.5 -90.9 75.9-169.5 46.2 13.0 12.8 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 41.4 173.0-144.6 123.8 46.6 13.5 16.5 14 14 A R E -A 28 0A 143 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.989 19.2-162.2-136.5 128.5 47.3 16.9 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.455 74.0 64.9 -89.5 0.2 47.3 17.5 22.0 16 16 A K E S-C 57 0B 102 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.901 100.8 -87.0-120.2 147.4 47.0 21.3 21.9 17 17 A I E + 0 0 13 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.261 58.4 173.1 -51.7 134.0 43.9 23.2 20.6 18 18 A Y E -A 26 0A 28 8,-3.6 8,-3.3 -4,-0.1 2,-0.5 -0.910 33.9-108.5-139.5 167.6 44.3 23.7 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.859 34.2-135.9-100.1 136.7 42.3 25.0 13.9 20 20 A D > - 0 0 46 4,-3.0 3,-2.2 -2,-0.5 -1,-0.1 -0.026 39.1 -81.6 -75.2-176.1 41.0 22.6 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.718 136.2 48.5 -61.2 -22.9 41.1 22.8 7.5 22 22 A E T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.358 124.2-107.1 -94.1 -1.0 37.9 25.0 7.9 23 23 A G S < S+ 0 0 32 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.555 73.4 139.7 85.7 15.1 39.6 27.2 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.752 61.0 -97.4 -96.4 149.8 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-3.0 11,-0.4 9,-1.4 -0.354 54.9 160.7 -64.6 126.1 38.9 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-3.3 -8,-3.6 6,-0.3 2,-0.3 -0.940 19.2-166.9-142.3 162.6 39.7 21.3 17.3 27 27 A I E > - B 0 31A 0 4,-1.9 4,-2.0 -2,-0.3 2,-0.2 -0.976 52.1 -0.2-147.1 161.1 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-1.0 -0.436 122.1 -5.9 70.4-133.8 43.0 15.3 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.700 128.7 -52.4 -97.9 70.7 42.0 13.1 16.6 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.798 83.6 159.6 72.0 25.4 39.7 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.9 1,-0.0 -1,-0.2 -0.704 33.0-144.7 -87.8 102.8 37.4 16.3 17.7 32 32 A L E -B 26 0A 70 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.354 18.6-176.3 -64.1 133.4 35.8 19.5 16.7 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.912 57.8 -22.2 -98.8 -43.8 35.2 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.974 34.9-138.2-162.7 155.2 33.4 24.7 18.3 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.480 75.9 111.1 -92.2 -3.2 32.6 26.7 15.1 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.450 72.6-135.1 -78.0 139.6 33.0 29.8 17.1 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.435 76.0 103.0 -73.0 0.2 36.0 32.1 16.5 38 38 A S > - 0 0 46 1,-0.2 4,-2.2 -13,-0.0 5,-0.2 -0.766 56.4-161.2 -94.7 119.4 36.6 32.4 20.2 39 39 A L H > S+ 0 0 55 -2,-0.6 4,-3.3 1,-0.3 5,-0.3 0.910 95.3 57.1 -64.9 -33.3 39.5 30.5 21.8 40 40 A N H > S+ 0 0 108 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.872 104.5 49.4 -63.9 -41.9 37.9 31.0 25.0 41 41 A A H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.922 112.4 48.5 -61.9 -41.3 34.8 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.902 109.7 51.7 -65.0 -41.1 36.8 26.6 22.6 43 43 A K H X S+ 0 0 72 -4,-3.3 4,-2.3 2,-0.2 11,-0.2 0.907 109.2 52.3 -64.5 -34.0 38.7 26.2 25.8 44 44 A S H X S+ 0 0 69 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.936 109.8 46.0 -67.1 -46.7 35.4 26.2 27.6 45 45 A E H X S+ 0 0 66 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.901 110.9 55.9 -63.6 -36.8 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.950 108.7 45.3 -58.6 -47.4 37.3 21.5 25.9 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 5,-1.1 0.886 112.2 51.9 -62.7 -38.6 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.882 111.3 47.8 -63.3 -44.5 33.4 20.6 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.877 119.4 38.4 -64.9 -37.8 34.4 17.6 27.3 50 50 A I H <5S- 0 0 38 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.746 100.5-125.7 -87.6 -35.6 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.4 2,-0.3 1,-0.4 -3,-0.2 0.765 78.3 68.4 93.8 19.1 35.9 17.0 32.9 52 52 A R S - 0 0 7 -2,-1.0 3,-0.8 -11,-0.2 -1,-0.2 0.769 33.4-143.8 -93.1 -26.7 42.8 21.6 30.8 55 55 A N T 3 S- 0 0 128 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.797 73.1 -58.8 67.5 22.4 44.1 25.0 29.9 56 56 A G T 3 S+ 0 0 1 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.591 117.1 97.5 81.2 15.9 43.8 23.8 26.2 57 57 A V B < -C 16 0B 63 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.994 46.7-179.7-133.0 134.8 46.1 20.8 26.4 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.810 25.8-109.9-129.1 171.8 45.1 17.1 26.8 59 59 A T > - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.550 30.4-106.8 -98.6 174.0 46.9 14.0 27.1 60 60 A K H > S+ 0 0 111 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.867 120.7 51.4 -61.5 -43.1 47.0 11.2 24.6 61 61 A D H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.878 110.7 49.9 -62.5 -39.0 44.8 9.0 26.6 62 62 A E H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 109.1 51.3 -66.0 -43.4 42.3 11.8 26.8 63 63 A A H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -34,-0.4 0.894 109.9 50.2 -59.8 -42.1 42.4 12.4 23.1 64 64 A E H X S+ 0 0 67 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.859 107.5 54.9 -66.2 -31.6 41.8 8.6 22.5 65 65 A K H X S+ 0 0 141 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.948 108.8 45.5 -68.0 -46.7 38.9 8.7 24.8 66 66 A L H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.894 112.3 54.4 -58.8 -39.0 37.2 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.936 106.5 49.6 -63.8 -46.7 38.1 9.5 19.7 68 68 A N H X S+ 0 0 89 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.934 112.3 49.1 -57.2 -43.9 36.4 6.4 20.9 69 69 A Q H X S+ 0 0 101 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 111.5 48.9 -62.7 -42.2 33.3 8.4 21.8 70 70 A D H X S+ 0 0 38 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.874 111.1 47.8 -66.3 -37.0 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.939 113.6 49.9 -68.4 -44.1 33.5 7.0 16.4 72 72 A D H X S+ 0 0 99 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.955 110.7 48.0 -56.5 -49.3 30.8 5.4 18.5 73 73 A A H X S+ 0 0 60 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.863 108.7 55.8 -59.2 -37.3 28.5 8.4 18.0 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.952 109.3 45.8 -63.6 -45.6 29.2 8.3 14.3 75 75 A V H X S+ 0 0 35 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.943 112.9 49.2 -62.3 -49.2 28.1 4.7 14.0 76 76 A R H X S+ 0 0 134 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.904 108.4 54.8 -59.5 -40.1 25.0 5.3 16.1 77 77 A G H X S+ 0 0 9 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.923 108.3 49.1 -58.1 -44.6 24.1 8.3 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 7,-0.5 0.976 111.8 47.5 -56.8 -53.5 24.3 6.2 10.9 79 79 A L H 3< S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.790 112.2 49.5 -62.7 -27.2 22.1 3.5 12.4 80 80 A R H 3< S+ 0 0 198 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.550 93.8 92.8 -83.1 -15.8 19.5 6.0 13.7 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.6 -6,-0.1 3,-0.4 0.873 101.3 64.8 -80.5 -43.5 21.9 6.1 6.0 85 85 A K H X S+ 0 0 85 -4,-3.3 4,-3.2 -7,-0.5 5,-0.3 0.887 99.8 50.6 -52.5 -47.3 21.1 2.9 7.7 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.865 112.5 48.5 -65.2 -30.8 19.9 1.0 4.7 87 87 A V H > S+ 0 0 4 -4,-0.5 4,-0.8 -3,-0.4 3,-0.4 0.958 113.0 46.9 -68.6 -49.0 22.9 2.0 2.8 88 88 A Y H >< S+ 0 0 33 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.906 109.4 53.4 -54.8 -47.9 25.2 1.0 5.6 89 89 A D H 3< S+ 0 0 76 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.805 104.8 56.8 -65.2 -25.4 23.5 -2.3 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.659 94.8 87.7 -80.3 -12.4 23.9 -3.2 2.5 91 91 A L S << S- 0 0 5 -3,-1.1 31,-0.0 -4,-0.8 2,-0.0 -0.533 76.0-116.3 -90.7 160.8 27.6 -2.8 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.230 46.3 -92.0 -75.9 172.8 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.813 121.1 48.8 -59.2 -41.5 32.9 -4.2 6.2 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.6 2,-0.2 3,-0.3 0.943 113.0 46.4 -66.0 -50.7 35.5 -2.1 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.871 106.9 59.1 -62.1 -36.3 33.0 0.1 2.6 96 96 A R H X S+ 0 0 74 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.927 103.4 53.6 -56.1 -40.2 31.1 0.5 5.9 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.865 105.7 53.4 -61.6 -38.2 34.4 2.0 7.2 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.885 109.5 47.0 -63.9 -39.1 34.4 4.5 4.3 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 109.8 53.5 -72.9 -33.6 30.9 5.6 5.1 100 100 A I H X S+ 0 0 9 -4,-2.7 4,-3.3 -5,-0.2 5,-0.3 0.956 107.1 52.4 -64.1 -41.8 31.8 6.0 8.8 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.938 108.5 49.7 -59.2 -45.2 34.8 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.906 112.2 47.8 -61.0 -41.2 32.7 10.5 5.8 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.926 109.9 52.7 -66.0 -42.4 30.1 10.8 8.6 104 104 A F H < S+ 0 0 34 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.931 117.3 39.1 -57.0 -39.5 32.8 11.5 11.1 105 105 A Q H < S+ 0 0 53 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.925 131.9 20.2 -75.6 -48.8 34.1 14.2 8.9 106 106 A M H X S- 0 0 52 -4,-3.0 4,-0.7 -5,-0.2 -3,-0.2 0.420 102.5-114.7-104.2 -8.4 30.9 15.8 7.6 107 107 A G H X - 0 0 30 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.197 34.2 -82.4 80.9 150.8 28.2 14.9 10.0 108 108 A E H > S+ 0 0 72 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.807 129.4 54.0 -56.4 -42.3 25.2 12.7 9.3 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.949 108.7 48.1 -60.5 -51.1 23.3 15.6 7.8 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.9 1,-0.2 -2,-0.2 0.934 115.8 43.5 -56.1 -54.5 26.1 16.3 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.2 -1,-0.2 0.901 102.9 63.9 -61.1 -44.1 26.4 12.7 4.3 112 112 A A H 3< S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 95.7 64.2 -53.4 -23.8 22.7 12.0 4.0 113 113 A G T << S+ 0 0 53 -4,-0.9 2,-1.5 -3,-0.9 3,-0.4 0.497 74.3 86.7 -78.4 -2.4 22.7 14.7 1.2 114 114 A F <> + 0 0 36 -3,-2.5 4,-2.6 1,-0.2 5,-0.3 -0.290 58.9 152.9 -87.9 52.5 25.0 12.6 -1.1 115 115 A T H > + 0 0 63 -2,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.899 62.4 46.9 -51.8 -44.7 21.7 11.2 -2.1 116 116 A N H > S+ 0 0 103 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.893 113.2 47.6 -66.4 -41.9 22.7 10.2 -5.5 117 117 A S H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.867 108.8 56.7 -67.1 -37.5 26.0 8.6 -4.4 118 118 A L H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.838 107.3 48.0 -61.6 -41.1 24.1 6.7 -1.7 119 119 A R H X S+ 0 0 150 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.950 111.9 47.3 -69.7 -46.1 21.7 5.2 -4.2 120 120 A M H <>S+ 0 0 38 -4,-2.1 5,-2.2 2,-0.2 4,-0.5 0.928 113.8 51.2 -59.9 -40.9 24.5 4.0 -6.6 121 121 A A H ><5S+ 0 0 4 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.952 108.8 48.5 -61.2 -46.7 26.3 2.6 -3.5 122 122 A Q H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.931 111.2 51.3 -61.9 -36.7 23.3 0.8 -2.5 123 123 A Q T 3<5S- 0 0 71 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.546 113.7-120.8 -74.3 -6.7 23.0 -0.5 -6.1 124 124 A K T < 5 + 0 0 101 -3,-1.7 2,-1.2 -4,-0.5 -3,-0.2 0.744 64.3 145.2 70.1 29.5 26.8 -1.6 -6.0 125 125 A R >< + 0 0 111 -5,-2.2 4,-2.2 1,-0.2 5,-0.2 -0.709 22.4 174.0 -97.0 74.3 27.7 0.6 -8.9 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.866 67.6 45.4 -55.1 -52.7 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 114.0 49.2 -64.7 -36.6 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.872 110.4 50.8 -68.1 -39.1 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.946 108.6 54.2 -61.0 -46.3 29.4 6.2 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.880 109.1 45.9 -57.9 -42.7 33.0 7.2 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.8 4,-0.8 1,-0.2 3,-0.5 0.959 113.4 49.4 -71.0 -43.8 32.6 9.7 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.903 107.0 55.3 -62.6 -37.3 29.6 11.2 -8.3 133 133 A L H 3< S+ 0 0 6 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.878 101.3 58.9 -63.8 -31.1 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-2.1 -3,-0.5 -1,-0.2 0.694 85.6 82.0 -74.5 -14.4 34.1 13.5 -6.4 135 135 A K S << S+ 0 0 156 -3,-0.8 2,-0.4 -4,-0.8 -1,-0.2 -0.439 79.9 95.5 -85.1 68.6 31.6 16.1 -7.7 136 136 A S S > S- 0 0 21 -2,-2.1 4,-1.9 1,-0.1 5,-0.2 -0.994 85.1-117.4-159.0 157.8 31.5 17.8 -4.4 137 137 A R H > S+ 0 0 152 -2,-0.4 4,-2.5 2,-0.2 5,-0.3 0.889 113.2 65.8 -64.4 -37.2 32.9 20.6 -2.4 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 8,-0.2 0.967 105.5 41.8 -47.2 -53.0 34.2 17.9 -0.0 139 139 A Y H 4 S+ 0 0 64 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.3 51.3 -65.8 -40.4 36.5 16.6 -2.7 140 140 A N H < S+ 0 0 106 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.822 115.4 44.0 -67.8 -29.5 37.6 20.1 -3.9 141 141 A Q H < S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.877 131.3 17.4 -82.0 -44.1 38.5 21.2 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 -0.568 73.6 163.1-129.6 70.1 40.3 18.1 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 69.4 51.7 -59.1 -42.5 41.2 16.2 -2.2 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.922 116.4 40.2 -66.0 -38.0 43.8 13.8 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.924 114.3 53.9 -70.8 -46.2 41.7 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.897 107.5 51.8 -54.4 -43.8 38.6 12.5 -0.3 147 147 A K H X S+ 0 0 91 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.873 108.2 50.2 -64.0 -39.6 40.5 10.3 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.3 4,-1.5 -3,-0.2 12,-0.2 0.923 114.6 44.1 -64.1 -44.9 41.5 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.920 113.6 50.4 -65.5 -43.6 38.0 7.5 1.1 150 150 A I H X S+ 0 0 12 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.885 109.6 50.8 -62.7 -40.6 36.5 7.3 -2.4 151 151 A T H X S+ 0 0 39 -4,-2.3 4,-2.7 -5,-0.3 6,-0.4 0.853 109.0 52.2 -62.9 -36.0 38.9 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.911 111.8 46.1 -61.9 -47.2 38.0 2.6 -0.3 153 153 A F H < S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 115.6 46.4 -62.6 -42.3 34.3 2.9 -1.2 154 154 A R H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.899 124.5 26.5 -69.8 -47.5 34.9 2.0 -4.8 155 155 A T H < S- 0 0 47 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.611 88.4-135.4 -95.3 -19.9 37.2 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.798 71.0 103.9 71.0 20.2 36.2 -2.3 -1.0 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.834 78.7-121.0-128.1 172.9 39.9 -2.7 -0.1 158 158 A W S > S+ 0 0 44 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 0.174 70.9 121.5 -95.7 16.6 42.3 -0.8 2.1 159 159 A D G > + 0 0 102 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.815 68.4 58.0 -50.4 -37.7 44.8 -0.2 -0.8 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.637 104.9 54.2 -66.9 -18.6 44.7 3.7 -0.4 161 161 A Y G < 0 0 19 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.516 360.0 360.0 -98.7 1.8 45.8 3.3 3.1 162 162 A K < 0 0 176 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.858 360.0 360.0-100.4 360.0 49.0 1.2 2.5