==== 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 1C65 . 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) . 8834.0 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 0 3 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 3,-0.0 0.000 360.0 360.0 360.0 156.0 43.5 -1.9 9.1 2 2 A N > - 0 0 71 1,-0.1 4,-3.1 156,-0.0 5,-0.2 -0.951 360.0 -79.7-159.8 178.5 40.3 -0.7 10.6 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.880 124.5 48.9 -57.3 -41.8 38.1 2.3 11.2 4 4 A F H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.980 114.3 43.1 -65.5 -53.3 40.2 3.5 14.1 5 5 A E H > S+ 0 0 102 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.891 113.7 54.6 -61.4 -37.3 43.5 3.2 12.3 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.918 111.6 40.7 -62.8 -46.6 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.822 108.0 62.5 -74.4 -23.1 40.7 7.8 10.7 8 8 A R H X S+ 0 0 104 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.865 108.7 45.7 -66.1 -27.9 43.9 8.2 12.9 9 9 A I H < S+ 0 0 87 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.888 114.7 44.8 -77.4 -45.7 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.776 126.0 29.9 -71.1 -26.7 43.2 10.9 8.0 11 11 A E H < S- 0 0 45 -4,-2.3 19,-0.4 1,-0.1 -1,-0.2 0.625 90.7-153.6-106.1 -26.7 42.9 13.2 11.1 12 12 A G < - 0 0 25 -4,-1.4 2,-0.3 -5,-0.3 -1,-0.1 -0.163 25.0 -85.4 74.0-173.8 46.2 12.9 12.8 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.980 41.1 175.3-136.9 122.7 46.8 13.5 16.6 14 14 A R E -A 28 0A 120 14,-1.2 14,-2.2 -2,-0.3 4,-0.1 -0.988 19.4-162.8-136.7 122.5 47.3 16.9 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.473 74.7 62.3 -79.7 -8.2 47.5 17.4 21.9 16 16 A K E S-C 57 0B 132 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.920 99.7 -88.4-120.4 146.0 46.9 21.2 21.7 17 17 A I E + 0 0 27 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.303 59.1 169.4 -51.5 139.3 43.9 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-2.5 8,-4.1 6,-0.1 2,-0.5 -0.887 36.5-104.6-146.4 166.9 44.4 23.8 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.864 31.9-141.5 -99.8 136.5 42.4 25.0 13.8 20 20 A D > - 0 0 51 4,-2.8 3,-1.3 -2,-0.5 -1,-0.1 -0.046 42.4 -78.3 -79.1-165.6 41.1 22.4 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.651 133.8 51.0 -69.4 -21.2 41.0 23.0 7.5 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.441 124.8-103.3 -89.6 -10.6 37.9 25.1 7.9 23 23 A G S < S+ 0 0 34 -3,-1.3 2,-0.4 1,-0.3 -2,-0.1 0.549 73.2 145.4 99.3 13.1 39.5 27.2 10.5 24 24 A Y - 0 0 84 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.697 57.7-105.7 -96.4 144.7 37.7 25.7 13.4 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-2.5 -2,-0.4 9,-1.3 -0.347 54.0 163.9 -58.6 119.1 39.0 25.1 16.9 26 26 A T E -AB 18 32A 3 -8,-4.1 -8,-2.5 6,-0.2 2,-0.3 -0.930 20.0-162.1-137.0 164.9 39.8 21.3 17.2 27 27 A I E > - B 0 31A 0 4,-2.1 4,-2.5 -2,-0.3 -12,-0.2 -0.974 50.0 -10.3-146.7 160.5 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.2 -2,-0.3 2,-1.1 -0.276 122.6 -0.8 61.1-127.0 43.1 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.679 129.1 -54.9-100.5 73.4 42.0 13.2 16.6 30 30 A G T 4 S+ 0 0 15 -2,-1.1 2,-1.1 -19,-0.4 -2,-0.2 0.744 83.2 161.1 67.7 27.8 39.8 15.5 14.7 31 31 A H E < -B 27 0A 31 -4,-2.5 -4,-2.1 1,-0.0 -1,-0.2 -0.745 32.8-144.3 -85.1 100.0 37.6 16.3 17.7 32 32 A L E +B 26 0A 77 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.330 21.2 179.6 -58.9 127.1 35.8 19.5 16.7 33 33 A L E - 0 0 14 -8,-2.5 2,-0.3 1,-0.3 -7,-0.2 0.876 59.5 -15.7 -96.1 -40.3 35.3 21.7 19.8 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.3 -0.967 33.7-143.9-161.9 150.3 33.5 24.8 18.3 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.506 77.7 108.5 -90.0 -8.0 32.6 26.7 15.1 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.3 2,-0.1 6,-0.1 -0.469 73.8-136.0 -75.5 136.8 33.1 29.8 17.2 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.494 73.7 108.5 -70.7 -0.3 36.2 32.1 16.6 38 38 A S > - 0 0 44 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.667 54.0-163.6 -86.5 119.5 36.7 32.4 20.3 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.854 94.0 52.7 -68.6 -30.7 39.5 30.6 21.8 40 40 A N H > S+ 0 0 120 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.868 107.2 51.9 -71.3 -36.4 38.0 30.9 25.2 41 41 A A H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.948 110.4 48.8 -62.2 -44.1 34.9 29.5 24.0 42 42 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.926 111.2 49.0 -59.1 -45.0 37.0 26.6 22.6 43 43 A K H X S+ 0 0 70 -4,-2.7 4,-2.3 2,-0.2 11,-0.2 0.912 109.7 53.2 -63.9 -35.8 38.8 26.2 25.8 44 44 A S H X S+ 0 0 73 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.958 109.2 48.1 -63.6 -44.8 35.5 26.2 27.6 45 45 A E H X S+ 0 0 70 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.932 110.9 52.5 -62.4 -41.4 34.2 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.932 107.8 48.7 -58.6 -46.6 37.4 21.4 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.2 5,-1.3 0.865 113.1 50.1 -58.9 -38.9 37.2 21.6 29.8 48 48 A K H <5S+ 0 0 143 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.847 111.0 48.6 -64.0 -45.2 33.5 20.5 29.5 49 49 A A H <5S+ 0 0 43 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.894 121.1 35.0 -68.0 -38.1 34.4 17.6 27.3 50 50 A I H <5S- 0 0 34 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.708 99.2-125.4 -93.1 -23.0 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 70 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.786 78.8 66.7 87.9 21.6 35.9 17.1 32.9 52 52 A R S - 0 0 7 -2,-0.8 3,-1.0 -11,-0.2 -1,-0.2 0.752 33.5-142.4 -90.0 -26.5 42.9 21.7 30.6 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.687 74.4 -59.2 69.5 19.2 44.3 25.0 29.7 56 56 A G T 3 S+ 0 0 6 1,-0.2 -39,-1.7 -13,-0.2 2,-0.4 0.576 118.6 104.0 81.2 18.3 43.9 23.8 26.1 57 57 A V B < +C 16 0B 76 -3,-1.0 2,-0.3 -41,-0.2 -1,-0.2 -0.993 43.9 175.9-132.8 131.8 46.1 20.9 26.5 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.875 27.9-106.9-131.6 164.4 45.2 17.2 26.9 59 59 A T > - 0 0 55 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.414 33.4-107.6 -86.2 167.3 46.9 13.8 27.2 60 60 A K H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.859 121.7 51.1 -59.0 -41.4 47.1 11.1 24.6 61 61 A D H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 108.1 51.8 -63.9 -41.7 44.7 9.0 26.5 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.918 110.0 50.3 -59.2 -44.4 42.3 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.893 110.6 47.8 -61.7 -42.9 42.5 12.3 23.1 64 64 A E H X S+ 0 0 75 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.830 108.4 56.6 -72.4 -24.2 41.9 8.6 22.4 65 65 A K H X S+ 0 0 137 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.961 108.1 45.3 -67.8 -51.2 39.0 8.7 24.8 66 66 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 112.1 55.9 -54.4 -41.3 37.3 11.5 22.9 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.940 106.9 46.8 -59.0 -51.1 38.1 9.5 19.7 68 68 A N H X S+ 0 0 84 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.938 111.8 50.9 -54.6 -47.3 36.4 6.4 20.8 69 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.902 113.0 47.7 -58.4 -43.0 33.3 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.834 110.8 48.3 -65.5 -38.8 33.3 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.924 113.0 50.1 -68.2 -46.4 33.7 6.9 16.4 72 72 A D H X S+ 0 0 99 -4,-3.1 4,-3.0 -5,-0.3 5,-0.3 0.950 110.9 48.5 -56.2 -46.1 30.9 5.3 18.5 73 73 A A H X S+ 0 0 61 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.893 106.9 57.4 -61.5 -39.3 28.6 8.4 18.0 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.942 110.8 42.2 -60.2 -46.8 29.3 8.3 14.2 75 75 A V H X S+ 0 0 33 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.935 112.6 51.6 -70.0 -39.6 28.0 4.7 13.9 76 76 A R H X S+ 0 0 133 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.924 108.1 54.2 -63.6 -30.3 25.1 5.2 16.1 77 77 A G H X S+ 0 0 7 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.944 108.6 48.8 -62.4 -44.1 24.2 8.3 13.9 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 7,-0.4 0.951 110.7 50.0 -58.3 -50.6 24.3 6.1 10.9 79 79 A L H 3< S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 112.8 47.2 -63.8 -25.4 22.1 3.4 12.5 80 80 A R H 3< S+ 0 0 183 -4,-1.8 2,-0.6 -5,-0.3 -1,-0.3 0.639 92.9 94.8 -87.5 -19.0 19.6 6.0 13.6 81 81 A N S+ 0 0 140 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.788 120.2 43.8 -86.7 -35.5 18.6 7.4 4.8 84 84 A L H >> S+ 0 0 0 -7,-0.2 4,-2.2 1,-0.1 3,-0.7 0.920 100.4 64.3 -79.8 -44.5 21.9 6.1 6.1 85 85 A K H 3X S+ 0 0 89 -4,-3.6 4,-3.2 -7,-0.4 5,-0.3 0.901 98.0 51.6 -48.6 -50.4 21.1 2.9 7.7 86 86 A P H 3> S+ 0 0 54 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.875 111.3 49.5 -61.8 -30.7 19.9 1.0 4.7 87 87 A V H < S+ 0 0 32 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.906 109.4 51.7 -55.5 -50.6 25.3 0.9 5.5 89 89 A D H 3< S+ 0 0 72 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.842 106.4 57.5 -63.9 -22.8 23.6 -2.4 6.2 90 90 A S H 3< S+ 0 0 37 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.2 0.643 96.0 88.0 -79.8 -10.3 23.9 -3.2 2.4 91 91 A L S << S- 0 0 7 -3,-1.3 31,-0.0 -4,-0.7 30,-0.0 -0.579 76.0-117.6 -94.0 160.1 27.7 -2.8 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.194 45.6 -92.0 -73.7 170.9 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.838 121.5 46.0 -57.6 -41.9 33.0 -4.3 6.1 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 113.5 47.9 -72.1 -47.4 35.6 -2.1 4.3 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.897 107.2 58.4 -62.0 -33.7 33.0 -0.0 2.5 96 96 A R H X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.951 103.3 52.9 -61.2 -40.0 31.2 0.5 5.8 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.896 105.1 54.9 -60.5 -37.3 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.877 109.5 47.7 -62.2 -36.6 34.5 4.4 4.3 99 99 A L H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.937 109.1 51.1 -70.0 -40.4 31.0 5.5 5.2 100 100 A I H X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.924 107.3 55.8 -64.4 -40.4 31.7 5.9 8.8 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.924 107.2 48.6 -55.1 -47.9 34.8 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-3.8 1,-0.2 5,-0.3 0.885 112.3 48.5 -60.5 -40.3 32.7 10.5 5.8 103 103 A V H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.893 107.9 54.3 -71.7 -33.1 30.1 10.8 8.6 104 104 A F H < S+ 0 0 30 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.940 117.8 38.2 -62.5 -38.7 32.9 11.4 11.2 105 105 A Q H < S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.926 131.8 21.2 -79.9 -48.8 34.1 14.2 9.0 106 106 A M H X S- 0 0 52 -4,-3.8 4,-0.6 -5,-0.2 -3,-0.2 0.583 101.7-116.6-104.6 -6.9 31.0 15.7 7.7 107 107 A G H X - 0 0 28 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.113 34.6 -78.3 84.4 152.7 28.2 14.8 10.1 108 108 A E H > S+ 0 0 75 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.856 129.7 50.5 -50.6 -49.3 25.1 12.6 9.5 109 109 A T H > S+ 0 0 115 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.922 106.3 52.4 -60.1 -52.6 23.4 15.3 7.9 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.908 116.1 40.6 -52.7 -54.1 26.1 16.2 5.5 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.815 104.0 64.7 -66.9 -35.9 26.4 12.7 4.3 112 112 A A H 3< S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.770 96.8 62.8 -61.9 -20.0 22.6 12.0 4.2 113 113 A G T << S+ 0 0 55 -4,-1.0 2,-2.4 -3,-0.7 3,-0.3 0.576 74.7 90.0 -79.4 -8.8 22.4 14.6 1.5 114 114 A F <> + 0 0 40 -3,-2.1 4,-2.4 1,-0.2 5,-0.3 -0.323 53.9 155.7 -82.6 58.9 24.7 12.7 -0.9 115 115 A T H > + 0 0 78 -2,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.923 61.0 49.3 -53.5 -50.3 21.6 11.2 -2.2 116 116 A N H > S+ 0 0 103 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.922 115.0 42.9 -59.6 -44.2 22.7 10.3 -5.6 117 117 A S H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 109.8 58.4 -69.6 -34.7 25.9 8.5 -4.5 118 118 A L H X S+ 0 0 17 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.860 108.0 47.2 -63.7 -40.3 24.1 6.8 -1.7 119 119 A R H X S+ 0 0 149 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.958 111.2 48.5 -65.6 -47.4 21.7 5.3 -4.3 120 120 A M H X>S+ 0 0 36 -4,-2.2 5,-2.1 1,-0.2 4,-0.5 0.928 111.0 54.2 -59.4 -41.2 24.5 4.1 -6.6 121 121 A A H ><5S+ 0 0 5 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.928 105.9 50.1 -60.2 -41.3 26.2 2.7 -3.5 122 122 A Q H 3<5S+ 0 0 96 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.941 110.2 50.7 -64.9 -38.7 23.2 0.7 -2.6 123 123 A Q H 3<5S- 0 0 74 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.469 113.7-120.2 -73.3 -3.7 23.0 -0.6 -6.2 124 124 A K T <<5 + 0 0 99 -3,-1.4 2,-1.3 -4,-0.5 -3,-0.2 0.775 62.6 148.7 68.5 29.5 26.7 -1.6 -6.0 125 125 A R >< + 0 0 104 -5,-2.1 4,-1.9 1,-0.2 -1,-0.2 -0.717 19.1 174.3 -94.5 74.6 27.7 0.7 -8.9 126 126 A W H > + 0 0 54 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.874 68.4 47.2 -48.8 -55.7 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 112.6 47.1 -58.3 -50.1 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 111.3 52.2 -64.6 -37.7 29.7 5.7 -10.9 129 129 A A H X S+ 0 0 5 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.945 107.5 52.5 -59.7 -45.5 29.4 6.4 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.872 109.9 48.1 -59.3 -42.5 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 86 -4,-2.2 4,-0.8 1,-0.2 3,-0.4 0.962 112.0 48.3 -66.2 -46.5 32.6 9.7 -9.8 132 132 A N H >< S+ 0 0 36 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.885 107.8 57.7 -60.1 -36.5 29.5 11.3 -8.2 133 133 A L H 3< S+ 0 0 5 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.888 99.3 57.3 -62.7 -38.2 31.4 11.6 -4.9 134 134 A A H 3< S+ 0 0 29 -4,-1.4 2,-1.8 -3,-0.4 -1,-0.2 0.672 87.6 80.8 -69.1 -15.4 34.2 13.6 -6.4 135 135 A K S << S+ 0 0 156 -3,-0.8 2,-0.3 -4,-0.8 -1,-0.2 -0.468 79.8 95.5 -83.8 62.4 31.7 16.2 -7.6 136 136 A S S > S- 0 0 21 -2,-1.8 4,-2.1 1,-0.1 5,-0.1 -0.989 85.1-116.5-152.5 161.3 31.5 17.8 -4.3 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.866 114.6 63.9 -63.6 -39.0 32.9 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.946 105.0 43.2 -49.0 -49.8 34.3 17.9 0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.926 115.9 48.1 -68.4 -41.7 36.5 16.6 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.814 115.2 44.4 -71.9 -26.9 37.6 20.0 -3.8 141 141 A Q H < S+ 0 0 104 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.891 133.1 15.4 -82.3 -40.5 38.4 21.2 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 -0.634 76.3 163.1-127.3 70.0 40.3 18.1 1.1 143 143 A P H > + 0 0 44 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.836 68.4 52.9 -62.1 -38.2 41.1 16.2 -2.1 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.960 115.8 40.7 -66.8 -38.9 43.8 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.945 114.9 51.4 -65.3 -53.4 41.7 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.922 108.7 53.8 -50.5 -47.0 38.6 12.5 -0.2 147 147 A K H X S+ 0 0 91 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.867 108.0 49.3 -55.0 -43.2 40.6 10.4 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.3 -3,-0.3 -1,-0.2 0.928 114.3 44.0 -64.6 -43.8 41.5 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 114.8 49.2 -66.5 -44.3 38.0 7.5 1.1 150 150 A I H X S+ 0 0 12 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.884 108.1 52.0 -64.4 -43.3 36.5 7.3 -2.3 151 151 A T H X S+ 0 0 43 -4,-2.4 4,-2.6 -5,-0.3 6,-0.3 0.881 109.4 52.5 -62.3 -31.0 39.0 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.909 111.4 45.6 -65.2 -45.5 38.1 2.7 -0.5 153 153 A F H < S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 113.9 49.5 -67.2 -40.7 34.5 2.9 -1.3 154 154 A R H < S+ 0 0 89 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.904 123.1 27.4 -67.5 -43.6 35.0 2.2 -4.8 155 155 A T H < S- 0 0 48 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.640 86.8-133.3 -95.1 -19.6 37.2 -0.8 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.8 2,-0.2 1,-0.2 -62,-0.2 0.655 74.4 97.1 75.7 11.7 36.2 -2.4 -1.1 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.2 -0.831 78.3-121.2-128.7 171.4 40.0 -2.8 -0.1 158 158 A W S > S+ 0 0 39 -2,-0.2 3,-1.8 1,-0.2 4,-0.5 0.090 70.4 121.4 -98.0 20.4 42.5 -0.7 2.1 159 159 A D G > + 0 0 105 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.847 67.3 59.9 -55.7 -33.9 44.9 -0.2 -0.7 160 160 A A G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.710 105.1 51.9 -66.0 -18.7 44.6 3.6 -0.4 161 161 A Y G < 0 0 17 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.556 360.0 360.0 -98.6 -2.7 45.8 3.3 3.1 162 162 A K < 0 0 174 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.930 360.0 360.0 -80.5 360.0 49.1 1.2 2.4