==== 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 1C68 . 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) . 8612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 1 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 1 A M 0 0 74 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 158.5 43.2 -2.1 9.1 2 2 A N > - 0 0 61 1,-0.1 4,-4.0 156,-0.0 5,-0.2 -0.958 360.0 -72.4-161.4-179.0 40.1 -0.7 10.6 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.829 125.9 43.6 -49.8 -47.6 37.9 2.3 11.3 4 4 A F H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 116.1 47.6 -65.7 -48.1 40.1 3.6 14.1 5 5 A E H > S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.950 113.8 50.5 -61.0 -41.4 43.3 3.0 12.2 6 6 A M H >X S+ 0 0 0 -4,-4.0 4,-2.6 1,-0.2 3,-0.5 0.971 112.4 41.4 -61.4 -55.6 41.7 4.6 9.2 7 7 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.734 108.6 61.9 -66.1 -19.2 40.5 7.8 10.7 8 8 A R H 3X S+ 0 0 96 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.883 107.5 46.1 -71.7 -34.3 43.7 8.2 12.8 9 9 A I H << S+ 0 0 90 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.1 0.945 116.5 43.0 -69.4 -56.8 45.5 8.4 9.4 10 10 A D H < S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.763 125.4 31.3 -64.2 -28.9 43.0 10.9 7.9 11 11 A E H < S- 0 0 42 -4,-2.0 19,-0.4 -5,-0.2 -1,-0.2 0.590 90.8-156.0-108.3 -13.5 42.7 13.2 11.1 12 12 A G < - 0 0 23 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.1 -0.116 24.9 -77.7 71.3-165.4 46.1 13.0 12.7 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.863 43.0 170.7-145.2 115.5 46.7 13.6 16.3 14 14 A R E -A 28 0A 147 14,-1.8 14,-2.5 -2,-0.3 4,-0.1 -0.962 18.7-169.5-126.7 127.8 47.0 17.0 18.3 15 15 A L E S+ 0 0 72 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.547 76.2 62.2 -87.8 -6.9 47.3 17.5 21.9 16 16 A K E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.920 99.5 -91.1-119.0 142.1 46.8 21.2 21.7 17 17 A I E + 0 0 17 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.222 54.7 169.4 -53.7 138.6 43.8 23.1 20.4 18 18 A Y E -A 26 0A 35 8,-3.7 8,-4.0 -4,-0.1 2,-0.4 -0.888 33.6-112.5-142.9 168.0 44.1 23.8 16.7 19 19 A K E -A 25 0A 102 -2,-0.3 6,-0.2 6,-0.3 5,-0.0 -0.826 31.7-134.5-101.9 142.7 42.0 25.1 13.8 20 20 A D - 0 0 54 4,-2.1 3,-0.3 -2,-0.4 -1,-0.1 0.113 39.1 -83.3 -80.0-154.8 41.1 22.8 11.0 21 21 A T S S+ 0 0 101 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.611 135.5 57.3 -79.1 -18.6 41.3 23.4 7.2 22 22 A E S S- 0 0 77 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.624 120.3-113.4 -83.5 -20.9 37.9 24.9 7.9 23 23 A G S S+ 0 0 28 1,-0.3 2,-0.2 -3,-0.3 -2,-0.1 0.297 71.7 137.3 97.2 4.2 39.4 27.5 10.5 24 24 A Y - 0 0 70 1,-0.1 -4,-2.1 -5,-0.0 -1,-0.3 -0.573 62.8-102.5 -85.0 141.0 37.5 25.8 13.4 25 25 A Y E +AB 19 34A 35 9,-1.1 8,-3.6 11,-0.5 9,-1.4 -0.390 55.1 155.3 -66.7 124.2 38.8 25.0 16.8 26 26 A T E -AB 18 32A 1 -8,-4.0 -8,-3.7 6,-0.3 2,-0.3 -0.917 19.3-173.2-143.7 164.9 39.6 21.4 17.1 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.2 -2,-0.3 2,-0.3 -0.990 49.5 10.7-156.4 165.6 41.8 19.0 19.1 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.8 -2,-0.3 2,-0.8 -0.415 120.6 -13.2 72.0-133.4 42.8 15.4 19.3 29 29 A I T 4 S- 0 0 3 34,-0.3 -1,-0.2 -2,-0.3 -17,-0.2 -0.602 130.0 -44.1-104.3 67.7 42.0 13.1 16.5 30 30 A G T 4 S+ 0 0 19 -2,-0.8 2,-1.2 -19,-0.4 -2,-0.2 0.766 84.5 159.1 78.5 21.5 39.4 15.3 14.7 31 31 A H E < -B 27 0A 36 -4,-2.2 -4,-1.6 1,-0.0 -1,-0.2 -0.658 29.4-151.6 -84.3 94.9 37.5 16.5 17.7 32 32 A L E -B 26 0A 75 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.387 15.8-178.0 -63.6 132.7 35.7 19.6 16.6 33 33 A L E - 0 0 15 -8,-3.6 2,-0.3 1,-0.3 -7,-0.2 0.856 55.8 -18.0-100.5 -47.5 35.2 21.9 19.4 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-1.1 2,-0.1 -1,-0.3 -0.949 32.8-142.0-166.6 144.3 33.3 24.9 18.1 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.725 79.4 103.9 -75.8 -23.5 32.4 26.7 14.9 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.158 74.3-133.8 -61.1 150.7 32.9 29.9 17.0 37 37 A P S S+ 0 0 111 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.508 72.5 111.2 -84.5 -5.3 36.0 32.1 16.6 38 38 A S > - 0 0 42 1,-0.2 4,-2.8 2,-0.0 5,-0.1 -0.624 51.5-165.8 -80.2 115.4 36.3 32.4 20.3 39 39 A L H > S+ 0 0 59 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.838 94.5 56.1 -65.6 -27.5 39.3 30.7 21.5 40 40 A N H > S+ 0 0 125 2,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.966 104.9 49.1 -68.0 -49.1 37.8 31.1 24.9 41 41 A A H > S+ 0 0 32 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.953 111.1 55.1 -50.3 -46.7 34.5 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.883 106.1 45.7 -58.7 -41.9 36.8 26.8 22.6 43 43 A K H X S+ 0 0 60 -4,-2.1 4,-3.6 2,-0.2 11,-0.2 0.915 112.0 54.5 -69.7 -35.2 38.7 26.3 25.9 44 44 A S H X S+ 0 0 75 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.960 110.5 46.7 -54.9 -54.4 35.2 26.2 27.7 45 45 A E H X S+ 0 0 59 -4,-2.8 4,-2.0 2,-0.2 -1,-0.3 0.858 111.7 49.3 -55.1 -45.9 34.1 23.6 25.4 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.954 111.9 49.6 -64.1 -44.8 37.4 21.6 25.8 47 47 A D H X>S+ 0 0 35 -4,-3.6 4,-2.6 1,-0.2 5,-1.9 0.891 110.7 49.9 -55.9 -43.2 37.1 21.8 29.5 48 48 A K H <5S+ 0 0 148 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.784 112.9 46.1 -62.4 -39.1 33.5 20.6 29.4 49 49 A A H <5S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.919 118.8 41.8 -70.8 -42.8 34.3 17.6 27.1 50 50 A I H <5S- 0 0 34 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.820 103.1-125.2 -79.3 -36.2 37.3 16.7 29.2 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 1,-0.4 -3,-0.2 0.731 77.8 54.6 93.6 23.0 35.9 17.2 32.6 52 52 A R S - 0 0 8 -2,-0.8 3,-0.6 -11,-0.2 -1,-0.2 0.829 33.9-140.6 -90.1 -25.1 42.7 21.7 30.6 55 55 A N T 3 S- 0 0 114 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.860 72.2 -53.8 68.7 37.4 44.1 25.0 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.583 120.1 92.7 76.8 5.1 43.9 24.2 26.1 57 57 A V B < -C 16 0B 64 -3,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.991 46.0-178.6-140.0 139.4 45.8 20.9 26.3 58 58 A I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.769 25.5-109.9-124.2 171.6 45.0 17.3 26.7 59 59 A T > - 0 0 60 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.541 33.6-104.1 -95.5 167.5 46.9 14.0 27.0 60 60 A K H > S+ 0 0 114 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.886 123.4 52.4 -53.4 -48.5 47.1 11.1 24.5 61 61 A D H > S+ 0 0 115 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.899 107.3 52.7 -55.6 -46.3 44.7 9.1 26.6 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.771 110.8 47.0 -57.0 -43.2 42.2 12.1 26.6 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -34,-0.3 0.866 107.9 56.3 -65.8 -39.9 42.3 12.3 22.8 64 64 A E H X S+ 0 0 74 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.862 109.0 48.1 -62.9 -31.4 41.9 8.5 22.6 65 65 A K H X S+ 0 0 136 -4,-1.1 4,-2.7 2,-0.2 5,-0.3 0.937 110.5 47.4 -75.1 -53.3 38.7 8.8 24.6 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.895 112.9 52.7 -53.5 -39.1 37.1 11.6 22.7 67 67 A F H X S+ 0 0 11 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.967 108.2 49.0 -60.9 -52.5 38.1 9.6 19.7 68 68 A N H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.3 5,-0.2 0.916 114.0 45.9 -51.1 -47.2 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 95 -4,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.865 111.3 53.6 -65.0 -39.0 33.2 8.4 21.8 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.924 110.3 45.0 -63.5 -46.5 33.4 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.958 113.4 52.4 -64.1 -46.0 33.5 6.8 16.4 72 72 A D H X S+ 0 0 83 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.947 109.0 46.8 -54.8 -46.9 30.8 5.3 18.5 73 73 A A H X S+ 0 0 43 -4,-2.1 4,-5.1 -5,-0.2 -1,-0.2 0.973 109.3 56.8 -61.5 -46.5 28.4 8.1 18.0 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.936 111.0 41.6 -48.2 -58.2 29.2 8.1 14.3 75 75 A V H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.940 116.3 50.5 -57.8 -45.2 28.2 4.5 14.0 76 76 A R H < S+ 0 0 115 -4,-2.8 4,-0.3 -5,-0.3 -2,-0.2 0.918 109.8 51.4 -62.9 -35.0 25.2 5.1 16.3 77 77 A G H >X S+ 0 0 12 -4,-5.1 3,-2.4 -5,-0.3 4,-0.7 0.982 109.5 48.5 -60.8 -52.0 24.3 8.0 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 7,-0.5 0.932 107.0 55.7 -45.0 -61.0 24.3 6.1 11.0 79 79 A L T 3< S+ 0 0 79 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.418 113.7 42.6 -57.4 -4.2 22.3 3.3 12.4 80 80 A R T <4 S+ 0 0 193 -3,-2.4 2,-0.8 -4,-0.3 -1,-0.3 0.414 86.7 95.0-125.7 1.7 19.7 5.8 13.3 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.3 1,-0.2 3,-0.6 0.796 97.3 71.9 -73.5 -43.9 21.7 5.9 6.2 85 85 A K H 3X S+ 0 0 102 -4,-3.3 4,-2.3 -7,-0.5 5,-0.2 0.876 99.4 46.9 -44.4 -52.2 20.8 2.6 8.0 86 86 A P H 3> S+ 0 0 61 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.809 112.0 49.3 -67.4 -31.5 19.8 0.7 4.9 87 87 A V H X> S+ 0 0 4 -3,-0.6 3,-1.2 -4,-0.4 4,-1.1 0.973 113.5 46.8 -68.0 -55.7 22.9 1.8 2.8 88 88 A Y H >< S+ 0 0 27 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.914 110.9 51.3 -46.0 -51.2 25.2 0.8 5.6 89 89 A D H 3< S+ 0 0 68 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.726 105.2 56.7 -61.8 -28.0 23.6 -2.4 6.2 90 90 A S H << S+ 0 0 46 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.710 95.5 89.7 -79.8 -17.2 23.8 -3.3 2.6 91 91 A L S << S- 0 0 7 -4,-1.1 2,-0.1 -3,-0.8 31,-0.0 -0.349 76.3-119.8 -80.6 159.0 27.5 -2.9 2.5 92 92 A D > - 0 0 58 -2,-0.1 4,-1.6 1,-0.0 -1,-0.1 -0.240 47.1 -91.1 -78.7-178.4 30.5 -5.2 3.2 93 93 A A H > S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.807 120.8 52.2 -71.2 -36.2 32.8 -4.3 6.0 94 94 A V H > S+ 0 0 26 62,-0.3 4,-1.6 1,-0.2 3,-0.2 0.957 111.1 48.7 -64.1 -46.2 35.4 -2.2 4.3 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.819 103.8 60.3 -61.9 -35.1 32.8 -0.1 2.7 96 96 A R H X S+ 0 0 73 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.916 102.1 53.1 -56.7 -45.9 31.0 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.7 -3,-0.2 -1,-0.2 0.898 106.0 54.5 -58.0 -40.1 34.2 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.957 107.9 48.0 -63.0 -42.5 34.2 4.3 4.5 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 111.7 50.7 -61.7 -42.5 30.7 5.4 5.2 100 100 A I H X S+ 0 0 8 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.926 107.3 53.4 -64.9 -40.5 31.6 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.916 110.9 47.4 -55.8 -44.2 34.7 8.1 8.0 102 102 A M H X S+ 0 0 4 -4,-1.8 4,-3.9 2,-0.2 5,-0.4 0.867 113.0 47.4 -64.1 -43.5 32.6 10.4 5.9 103 103 A V H X S+ 0 0 11 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.868 110.9 52.3 -67.9 -38.5 30.0 10.7 8.5 104 104 A F H < S+ 0 0 29 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.925 116.5 42.0 -67.7 -32.3 32.7 11.3 11.1 105 105 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.970 131.1 15.0 -82.7 -48.2 34.0 14.0 8.9 106 106 A M H X S- 0 0 49 -4,-3.9 4,-0.7 -5,-0.2 -3,-0.2 0.662 103.2-109.8-106.9 -2.4 31.0 15.8 7.6 107 107 A G H X - 0 0 26 -4,-2.0 4,-2.8 -5,-0.4 5,-0.2 0.057 35.2 -78.8 93.3 151.6 28.1 14.7 9.8 108 108 A E H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 -1,-0.1 0.832 130.2 52.9 -51.5 -40.1 25.0 12.6 9.3 109 109 A T H > S+ 0 0 119 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.979 108.5 44.0 -57.6 -65.5 23.5 15.6 7.5 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.6 1,-0.3 -2,-0.2 0.857 116.5 50.1 -50.8 -42.5 26.2 16.3 5.0 111 111 A V H >< S+ 0 0 0 -4,-2.8 3,-2.9 1,-0.3 -1,-0.3 0.938 100.6 60.5 -68.5 -42.2 26.4 12.7 4.3 112 112 A A H 3< S+ 0 0 29 -4,-2.9 3,-0.5 1,-0.3 -1,-0.3 0.784 92.9 70.4 -55.7 -19.9 22.8 12.4 3.9 113 113 A G T << S+ 0 0 62 -4,-1.1 -1,-0.3 -3,-0.6 3,-0.3 0.406 77.5 78.8 -77.5 6.3 23.4 14.9 1.0 114 114 A F <> + 0 0 22 -3,-2.9 4,-4.9 1,-0.2 5,-0.4 -0.104 56.9 137.6-101.5 34.5 25.2 12.2 -1.2 115 115 A T H > + 0 0 74 -3,-0.5 4,-2.5 1,-0.3 -1,-0.2 0.853 64.5 51.4 -41.8 -55.4 21.9 10.9 -2.1 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.934 120.3 32.6 -58.8 -43.9 22.7 10.4 -5.6 117 117 A S H > S+ 0 0 6 2,-0.2 4,-3.9 1,-0.2 5,-0.4 0.932 113.6 61.5 -78.1 -40.9 25.9 8.5 -5.0 118 118 A L H X S+ 0 0 15 -4,-4.9 4,-1.8 1,-0.3 -1,-0.2 0.866 105.9 48.9 -54.4 -32.8 24.5 7.0 -1.9 119 119 A R H X S+ 0 0 98 -4,-2.5 4,-2.6 -5,-0.4 -1,-0.3 0.904 112.2 44.1 -77.3 -33.9 22.0 5.4 -4.1 120 120 A M H <>S+ 0 0 16 -4,-1.6 5,-2.2 2,-0.2 -2,-0.2 0.951 113.8 53.1 -70.2 -34.8 24.3 4.1 -6.7 121 121 A A H ><5S+ 0 0 4 -4,-3.9 3,-1.3 1,-0.2 -2,-0.2 0.870 109.0 50.0 -58.9 -37.9 26.5 2.9 -3.8 122 122 A Q H 3<5S+ 0 0 84 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.952 109.8 50.4 -63.4 -46.4 23.4 1.2 -2.5 123 123 A Q T 3<5S- 0 0 117 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.146 117.8-111.1 -75.1 6.4 22.9 -0.3 -5.9 124 124 A K T < 5 + 0 0 101 -3,-1.3 2,-1.3 1,-0.1 -3,-0.2 0.534 69.9 142.7 66.4 22.4 26.5 -1.7 -6.1 125 125 A R >< + 0 0 88 -5,-2.2 4,-2.5 1,-0.2 5,-0.4 -0.409 23.3 174.1 -86.4 56.9 27.6 0.8 -8.9 126 126 A W H > S+ 0 0 47 -2,-1.3 4,-1.2 1,-0.3 -1,-0.2 0.812 71.9 35.5 -30.5 -65.2 31.0 1.3 -7.5 127 127 A D H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.924 116.9 54.1 -67.8 -39.5 32.6 3.4 -10.2 128 128 A E H > S+ 0 0 104 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.886 111.5 43.3 -60.3 -40.2 29.4 5.3 -11.0 129 129 A A H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -1,-0.3 0.696 110.4 57.3 -73.1 -29.6 28.8 6.4 -7.6 130 130 A A H X S+ 0 0 11 -4,-1.2 4,-1.0 -5,-0.4 -2,-0.2 0.741 105.5 50.0 -80.4 -28.1 32.5 7.3 -7.0 131 131 A V H < S+ 0 0 96 -4,-1.8 4,-0.4 -5,-0.2 3,-0.3 0.924 110.0 49.6 -78.4 -35.4 32.5 9.6 -9.9 132 132 A N H >< S+ 0 0 37 -4,-1.3 3,-1.5 -5,-0.2 -2,-0.2 0.922 105.6 58.3 -63.4 -43.3 29.4 11.3 -8.6 133 133 A A H 3< S+ 0 0 9 -4,-1.9 6,-0.5 1,-0.2 -1,-0.2 0.813 97.7 63.0 -57.3 -30.7 31.0 11.6 -5.1 134 134 A A T 3< S+ 0 0 30 -4,-1.0 2,-1.3 -3,-0.3 -1,-0.2 0.608 86.7 74.3 -69.1 -17.7 34.0 13.6 -6.7 135 135 A K S < S+ 0 0 158 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.2 -0.462 80.4 106.6 -96.2 62.5 31.7 16.3 -7.7 136 136 A S S > S- 0 0 16 -2,-1.3 4,-1.9 1,-0.1 5,-0.2 -0.996 81.1-123.2-145.9 148.8 31.3 17.7 -4.3 137 137 A R H > S+ 0 0 151 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.911 116.5 59.7 -52.2 -42.8 32.4 20.6 -2.3 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.978 104.8 46.9 -50.7 -55.1 33.8 17.9 -0.0 139 139 A Y H 4 S+ 0 0 57 -6,-0.5 -1,-0.2 1,-0.2 7,-0.2 0.932 112.5 48.2 -56.1 -45.6 36.0 16.4 -2.7 140 140 A N H < S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.793 112.2 49.4 -61.7 -34.9 37.5 19.9 -3.9 141 141 A Q H < S+ 0 0 96 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.898 130.4 15.3 -75.8 -43.7 38.3 21.0 -0.3 142 142 A T S X S+ 0 0 29 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 -0.703 73.1 163.4-133.4 75.0 40.2 17.8 0.8 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.922 72.3 50.4 -57.8 -51.0 41.0 16.0 -2.4 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.889 117.2 40.3 -58.2 -42.6 43.6 13.6 -1.1 145 145 A R H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 114.2 53.3 -69.0 -52.0 41.5 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.804 107.5 53.7 -53.7 -33.6 38.4 12.4 -0.2 147 147 A K H X S+ 0 0 93 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.926 102.5 53.3 -70.3 -47.7 40.2 10.2 -2.6 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.9 1,-0.2 12,-0.3 0.871 115.3 45.9 -53.9 -36.0 41.3 7.6 -0.1 149 149 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.822 109.3 47.1 -77.4 -44.9 37.7 7.3 0.8 150 150 A I H X S+ 0 0 16 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.832 115.7 52.5 -68.9 -22.7 35.9 7.2 -2.5 151 151 A T H X>S+ 0 0 42 -4,-2.3 4,-4.1 -5,-0.2 5,-0.5 0.954 108.4 46.3 -68.0 -52.3 38.6 4.5 -3.3 152 152 A T H X5S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.893 116.6 48.4 -57.4 -39.5 38.0 2.4 -0.3 153 153 A F H <5S+ 0 0 20 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.930 116.3 40.6 -67.1 -48.6 34.2 2.7 -1.0 154 154 A R H <5S+ 0 0 78 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 126.4 33.0 -70.7 -45.7 34.5 1.8 -4.6 155 155 A T H <5S- 0 0 47 -4,-4.1 -3,-0.2 2,-0.2 -2,-0.2 0.863 88.1-138.5 -85.5 -37.9 37.0 -0.9 -4.2 156 156 A G S < + 0 0 33 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.077 69.9 122.0 -96.8 14.7 42.2 -0.7 2.0 159 159 A D G > + 0 0 103 1,-0.3 3,-2.6 2,-0.2 -1,-0.2 0.892 66.1 61.1 -48.2 -43.1 44.6 -0.1 -0.8 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -12,-0.1 0.692 108.4 47.9 -59.7 -15.9 44.3 3.7 -0.6 161 161 A Y G < 0 0 23 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.298 360.0 360.0-111.4 12.9 45.6 3.4 2.9 162 162 A K < 0 0 175 -3,-2.6 -2,-0.2 -4,-0.3 -3,-0.1 0.864 360.0 360.0-106.4 360.0 48.6 1.1 2.4