==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAY-09 3HH4 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 10 6.1 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 . 1 0.6 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 0 1 1 2 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 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 M 0 0 62 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 144.4 43.1 -1.7 8.8 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.915 360.0 -81.6-156.1 175.6 39.9 -0.7 10.6 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.829 125.7 52.6 -58.4 -36.9 37.8 2.4 11.1 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 113.4 42.5 -65.0 -47.6 40.0 3.6 14.0 5 5 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 114.1 53.3 -64.1 -38.8 43.2 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.943 112.9 41.4 -61.8 -51.8 41.6 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.851 109.6 59.1 -69.0 -31.4 40.3 7.9 10.8 8 8 A R H X S+ 0 0 108 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.908 109.3 45.4 -61.5 -39.7 43.6 8.2 12.8 9 9 A I H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.936 117.1 43.6 -64.0 -48.3 45.4 8.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.827 125.1 31.6 -71.2 -31.9 42.8 11.0 8.0 11 11 A E H < S- 0 0 46 -4,-2.8 19,-0.4 1,-0.2 -1,-0.2 0.671 91.6-152.1-101.4 -21.1 42.6 13.2 11.1 12 12 A G < - 0 0 22 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 -0.193 24.2 -88.2 73.5-173.7 46.0 13.0 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.958 44.8 167.3-139.1 119.5 46.6 13.4 16.5 14 14 A R E -A 28 0A 142 14,-1.8 14,-2.1 -2,-0.4 4,-0.1 -0.999 21.4-160.7-132.0 135.1 47.3 16.8 18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.513 74.1 63.7 -95.9 -4.8 47.2 17.3 21.9 16 16 A K E S-C 57 0B 144 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.876 101.5 -85.1-115.2 148.9 46.7 21.0 21.8 17 17 A I E + 0 0 22 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.282 58.8 168.5 -51.7 131.5 43.7 23.0 20.5 18 18 A Y E -A 26 0A 24 8,-2.7 8,-2.9 6,-0.1 2,-0.5 -0.866 36.6-102.0-136.9 169.6 44.2 23.5 16.7 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.871 34.2-138.0 -98.8 135.5 42.1 24.7 13.8 20 20 A D > - 0 0 46 4,-2.7 3,-2.0 -2,-0.5 -1,-0.1 0.001 42.2 -77.6 -75.7-172.3 40.6 22.1 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.731 134.5 48.8 -64.8 -21.6 40.5 22.4 7.6 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.362 123.3-103.0 -95.7 1.7 37.5 24.7 7.9 23 23 A G S < S+ 0 0 38 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.591 75.8 140.0 87.1 13.8 39.2 26.9 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.727 60.8-101.5 -98.2 138.1 37.2 25.5 13.5 25 25 A Y E +A 19 0A 38 11,-0.4 8,-2.7 9,-0.4 9,-1.3 -0.340 54.7 159.5 -60.1 129.9 38.7 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.884 19.6-165.4-145.5 161.8 39.4 21.1 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.5 -2,-0.3 2,-0.2 -0.979 51.7 3.9-149.2 163.9 41.6 18.8 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.8 -2,-0.3 2,-0.9 -0.420 123.9 -6.3 74.2-130.7 42.8 15.2 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.703 129.5 -52.4-103.2 72.7 41.9 13.0 16.6 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.802 82.1 164.0 65.7 30.3 39.6 15.4 14.8 31 31 A H E < -B 27 0A 31 -4,-2.5 -4,-1.8 -20,-0.1 -1,-0.2 -0.704 31.3-143.0 -81.7 102.7 37.4 16.2 17.8 32 32 A L E -B 26 0A 76 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.457 19.3-176.0 -65.5 128.7 35.5 19.3 16.8 33 33 A L - 0 0 13 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.876 57.5 -34.0 -91.7 -45.5 35.1 21.6 19.8 34 34 A T - 0 0 31 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.964 34.7-130.0-170.9 156.3 33.0 24.5 18.3 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.448 75.4 114.5 -92.5 -3.8 32.3 26.6 15.2 36 36 A S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.388 69.9-136.9 -65.2 140.0 32.7 29.7 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.556 77.0 105.5 -72.8 -4.4 35.6 32.0 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.664 56.2-163.6 -81.7 116.4 36.1 32.4 20.3 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.876 94.5 57.0 -61.9 -37.7 39.1 30.4 21.7 40 40 A N H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 105.4 50.1 -59.7 -41.4 37.6 30.8 25.2 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 110.6 50.2 -62.0 -41.9 34.4 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 109.5 50.6 -62.3 -42.5 36.5 26.3 22.5 43 43 A K H X S+ 0 0 64 -4,-2.6 4,-2.8 2,-0.2 11,-0.2 0.907 108.5 52.2 -63.0 -42.5 38.4 25.9 25.8 44 44 A S H X S+ 0 0 69 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.929 109.5 49.4 -57.8 -46.5 35.1 25.7 27.7 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.906 110.7 51.3 -60.1 -39.9 33.9 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.944 109.1 48.8 -62.5 -49.0 37.1 21.1 25.9 47 47 A D H X>S+ 0 0 39 -4,-2.8 4,-2.6 1,-0.2 5,-0.9 0.903 112.5 49.1 -57.9 -42.3 36.9 21.2 29.7 48 48 A K H <5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.5 48.3 -63.7 -40.4 33.2 20.0 29.5 49 49 A A H <5S+ 0 0 40 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.869 120.5 35.4 -68.7 -38.6 34.2 17.2 27.2 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.747 102.8-126.5 -88.5 -29.9 37.1 16.0 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.706 76.4 75.6 85.3 23.3 35.7 16.7 32.7 52 52 A R S - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.494 32.5-108.9 -89.3 165.3 46.8 13.6 27.1 60 60 A K H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 121.0 53.0 -57.4 -43.3 47.0 10.9 24.4 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 109.4 49.1 -61.2 -41.5 44.7 8.7 26.5 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 110.6 50.3 -63.2 -42.4 42.2 11.6 26.7 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.909 110.9 49.2 -61.1 -41.9 42.3 12.2 23.0 64 64 A E H X S+ 0 0 76 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.836 107.7 54.8 -69.6 -30.9 41.7 8.5 22.4 65 65 A K H X S+ 0 0 132 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.940 109.9 45.6 -65.8 -47.5 38.8 8.5 24.8 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.899 111.6 54.3 -59.4 -39.6 37.1 11.3 22.8 67 67 A F H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.926 106.8 49.6 -62.5 -45.6 37.9 9.5 19.6 68 68 A N H X S+ 0 0 90 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.914 112.9 47.9 -57.3 -46.3 36.2 6.3 20.8 69 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.904 111.9 50.0 -61.1 -41.5 33.1 8.4 21.8 70 70 A D H X S+ 0 0 33 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.886 110.1 48.3 -70.0 -38.9 33.1 10.1 18.4 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.948 113.4 48.8 -63.9 -45.9 33.4 6.9 16.3 72 72 A D H X S+ 0 0 94 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.922 110.5 51.4 -57.2 -45.4 30.5 5.5 18.4 73 73 A A H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.859 107.9 51.9 -62.0 -38.0 28.5 8.7 17.9 74 74 A A H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.930 111.5 46.1 -64.8 -45.5 29.0 8.5 14.1 75 75 A V H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.936 113.2 50.3 -60.6 -47.7 27.8 4.9 14.0 76 76 A R H X S+ 0 0 91 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.896 108.4 53.2 -54.8 -44.7 24.8 5.9 16.2 77 77 A G H < S+ 0 0 9 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.851 110.0 47.5 -61.7 -38.6 24.0 8.8 13.9 78 78 A I H >< S+ 0 0 3 -4,-1.8 3,-1.1 1,-0.2 7,-0.5 0.940 111.9 49.0 -65.0 -48.9 23.9 6.5 10.9 79 79 A L H 3< S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.780 111.4 49.1 -68.8 -23.9 21.7 3.9 12.6 80 80 A R T 3< S+ 0 0 185 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.544 93.8 91.6 -89.8 -7.6 19.2 6.5 13.8 81 81 A N <> - 0 0 19 -3,-1.1 4,-2.8 -4,-0.5 -4,-0.0 -0.788 66.4-150.6 -97.3 122.7 18.9 8.1 10.4 82 82 A A T 4 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.737 97.5 42.9 -64.0 -25.4 16.1 6.8 8.1 83 83 A K T > S+ 0 0 131 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.863 119.7 40.1 -86.0 -40.9 18.1 7.7 4.9 84 84 A L H > S+ 0 0 7 -7,-0.2 4,-2.8 1,-0.1 5,-0.2 0.877 103.2 65.4 -79.3 -40.4 21.5 6.5 6.1 85 85 A K H X S+ 0 0 85 -4,-2.8 4,-3.0 -7,-0.5 5,-0.2 0.908 101.0 47.1 -55.2 -51.6 20.7 3.3 7.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.886 115.1 47.7 -61.6 -34.6 19.4 1.2 4.9 87 87 A V H X S+ 0 0 9 -4,-0.7 4,-0.7 2,-0.2 3,-0.4 0.954 113.1 47.7 -67.6 -47.6 22.4 2.2 2.8 88 88 A Y H >< S+ 0 0 33 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.926 109.7 53.4 -56.3 -46.2 24.8 1.4 5.6 89 89 A D H 3< S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 104.9 56.5 -58.8 -31.6 23.0 -2.0 6.2 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.656 95.1 88.4 -75.7 -16.6 23.5 -2.8 2.5 91 91 A L S << S- 0 0 7 -3,-1.4 2,-0.1 -4,-0.7 31,-0.0 -0.463 76.8-117.1 -87.7 153.9 27.3 -2.4 2.6 92 92 A D > - 0 0 52 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.332 43.7 -94.9 -71.0 168.1 30.1 -4.7 3.4 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.806 122.2 51.4 -63.0 -34.4 32.3 -4.0 6.4 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.948 112.8 44.9 -69.0 -47.1 35.1 -2.1 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.845 106.1 61.8 -66.3 -30.5 32.6 0.2 2.8 96 96 A R H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.874 101.0 54.1 -59.1 -37.7 30.8 0.7 6.2 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.912 105.7 51.7 -62.5 -41.7 34.1 2.2 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.903 109.6 51.0 -59.4 -40.2 34.1 4.6 4.5 99 99 A A H X S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 110.1 47.6 -62.3 -48.0 30.5 5.6 5.6 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.909 109.1 55.9 -59.2 -42.0 31.5 6.1 9.2 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.937 107.5 48.5 -56.2 -49.0 34.5 8.2 8.0 102 102 A M H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 5,-0.4 0.913 113.1 46.4 -57.3 -47.2 32.1 10.5 6.0 103 103 A V H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 109.6 54.9 -66.7 -37.8 29.8 11.0 8.9 104 104 A F H < S+ 0 0 31 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.920 115.4 39.7 -57.8 -44.3 32.7 11.6 11.3 105 105 A Q H < S+ 0 0 54 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.891 134.6 15.1 -73.8 -42.0 33.9 14.4 9.0 106 106 A M H X S- 0 0 52 -4,-2.7 4,-0.5 -5,-0.2 -3,-0.2 0.538 102.1-117.6-118.9 -8.0 30.7 16.1 8.0 107 107 A G H X - 0 0 30 -4,-2.4 4,-2.3 -5,-0.4 5,-0.2 0.098 33.9 -74.7 85.5 159.1 27.9 14.9 10.3 108 108 A E H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.881 127.8 48.8 -55.8 -49.7 24.7 12.9 9.9 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.919 111.9 48.9 -62.2 -46.5 22.7 15.7 8.3 110 110 A G H >< S+ 0 0 36 -4,-0.5 3,-0.7 1,-0.2 -2,-0.2 0.915 114.4 44.4 -59.4 -47.4 25.4 16.6 5.8 111 111 A V H >< S+ 0 0 8 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.895 104.9 61.8 -67.3 -39.5 25.9 13.1 4.6 112 112 A A H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.710 94.8 66.4 -59.8 -19.5 22.2 12.4 4.4 113 113 A G T << S+ 0 0 54 -4,-0.8 2,-1.4 -3,-0.7 3,-0.3 0.592 74.7 86.2 -75.0 -13.4 22.2 15.2 1.8 114 114 A F <> + 0 0 38 -3,-2.3 4,-2.7 1,-0.2 3,-0.2 -0.215 56.6 154.4 -79.6 48.2 24.3 13.0 -0.6 115 115 A T H > + 0 0 70 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.842 66.3 43.4 -48.9 -50.7 20.9 11.5 -1.8 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.897 114.7 49.5 -68.3 -38.8 22.0 10.4 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.905 109.4 53.2 -62.3 -44.1 25.4 9.0 -4.1 118 118 A L H X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.895 107.8 50.3 -59.5 -44.2 23.6 7.0 -1.4 119 119 A R H X S+ 0 0 130 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.936 110.7 49.0 -58.8 -48.4 21.2 5.5 -4.0 120 120 A M H <>S+ 0 0 32 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.875 110.7 51.1 -61.9 -38.9 24.1 4.5 -6.2 121 121 A L H ><5S+ 0 0 4 -4,-2.4 3,-1.2 2,-0.2 -1,-0.2 0.925 110.0 48.6 -63.0 -45.0 25.9 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 111.1 51.0 -63.8 -32.8 22.9 0.9 -2.2 123 123 A Q T 3<5S- 0 0 103 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.530 111.6-125.6 -76.3 -9.2 22.6 -0.2 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.2 2,-1.3 -4,-0.4 -3,-0.2 0.805 60.5 147.2 62.3 34.0 26.3 -1.2 -5.7 125 125 A R >< + 0 0 102 -5,-2.5 4,-2.8 1,-0.2 -1,-0.2 -0.691 22.2 174.3 -93.6 78.5 27.0 0.9 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.866 67.3 44.7 -67.3 -44.0 30.5 1.6 -7.4 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 116.5 48.1 -66.7 -40.1 32.1 3.5 -10.2 128 128 A E H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.4 50.3 -64.6 -43.7 29.0 5.7 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.913 109.1 52.6 -58.4 -43.0 28.8 6.3 -7.0 130 130 A A H X S+ 0 0 13 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.911 109.6 47.7 -62.7 -44.9 32.5 7.3 -6.9 131 131 A V H X S+ 0 0 85 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.925 114.4 47.3 -59.5 -45.1 32.0 9.8 -9.8 132 132 A N H >< S+ 0 0 36 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.901 107.3 55.5 -65.7 -41.7 28.9 11.3 -8.0 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.826 103.1 56.9 -58.8 -34.6 30.6 11.5 -4.6 134 134 A A H 3< S+ 0 0 24 -4,-1.4 2,-1.8 -3,-0.2 -1,-0.3 0.643 85.3 82.0 -74.4 -16.4 33.4 13.6 -6.1 135 135 A K S << S+ 0 0 159 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.537 81.7 97.6 -86.0 70.3 30.9 16.2 -7.4 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.997 86.6-116.1-156.5 152.2 30.8 17.9 -4.0 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.906 116.0 62.5 -55.1 -42.5 32.1 20.7 -1.9 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.929 106.2 41.4 -47.4 -56.2 33.6 17.9 0.2 139 139 A Y H 4 S+ 0 0 64 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.1 51.0 -64.3 -42.5 35.8 16.6 -2.6 140 140 A N H < S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.1 39.9 -64.4 -37.3 36.8 20.1 -3.7 141 141 A Q H < S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 133.2 21.3 -83.4 -35.9 37.8 21.2 -0.2 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 -0.583 74.4 159.5-127.6 69.6 39.5 18.0 1.0 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.870 70.2 49.5 -67.1 -38.4 40.4 16.2 -2.2 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.943 116.6 41.6 -68.1 -43.0 43.1 13.9 -1.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.927 115.9 49.7 -66.0 -45.7 41.1 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.909 107.8 55.0 -60.7 -40.6 37.9 12.4 -0.1 147 147 A K H X S+ 0 0 97 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.903 108.5 48.8 -58.1 -41.8 39.8 10.4 -2.8 148 148 A R H X S+ 0 0 50 -4,-1.8 4,-1.7 2,-0.2 12,-0.2 0.934 114.8 43.8 -62.9 -46.4 40.9 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 115.0 49.1 -65.0 -45.8 37.3 7.5 1.2 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.897 108.5 52.8 -61.2 -42.2 35.8 7.4 -2.4 151 151 A T H X S+ 0 0 34 -4,-2.6 4,-2.5 -5,-0.2 6,-0.4 0.870 107.3 53.5 -60.8 -36.3 38.4 4.7 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.929 111.9 44.0 -64.4 -44.2 37.3 2.7 -0.4 153 153 A F H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 114.9 50.6 -64.6 -37.4 33.7 2.9 -1.6 154 154 A R H < S+ 0 0 105 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.919 126.6 20.1 -67.8 -41.5 34.7 2.2 -5.1 155 155 A T H < S- 0 0 40 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.661 84.6-134.2-105.9 -23.3 36.8 -0.9 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.764 74.1 106.7 64.2 23.8 35.7 -2.3 -1.0 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.816 79.7-122.8-122.5 170.3 39.4 -2.6 -0.2 158 158 A W S >> S+ 0 0 40 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 0.130 70.6 122.8 -95.0 18.8 41.9 -0.7 2.0 159 159 A D G >4 + 0 0 110 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.799 67.7 57.6 -56.5 -32.8 44.2 0.1 -0.9 160 160 A A G 34 S+ 0 0 20 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.621 108.3 47.9 -73.8 -10.4 44.0 3.8 -0.4 161 161 A Y G <4 S+ 0 0 4 -3,-2.4 2,-0.3 -13,-0.1 -1,-0.2 0.386 88.6 99.8-110.8 1.0 45.3 3.5 3.2 162 162 A K S << S+ 0 0 107 -3,-0.8 0, 0.0 -4,-0.5 0, 0.0 -0.697 86.8 19.5 -87.5 142.2 48.2 1.1 2.4 163 163 A N 0 0 170 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.161 360.0 360.0 89.9 -35.8 51.7 2.8 2.2 164 164 A L 0 0 99 -4,-0.1 -155,-0.1 0, 0.0 -1,-0.1 -0.897 360.0 360.0-116.4 360.0 50.5 5.8 4.2