==== 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 1L65 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.HEINZ,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 . 5 3.1 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 . 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 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 71 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.7 43.7 -1.7 9.1 2 2 A N > - 0 0 67 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.903 360.0 -80.3-153.0 175.1 40.5 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.845 124.8 51.7 -52.9 -39.9 38.4 2.4 11.2 4 4 A F H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 112.8 42.7 -67.1 -47.3 40.5 3.7 14.1 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.836 114.3 53.8 -67.1 -33.4 43.8 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.971 111.6 42.5 -64.6 -51.1 42.1 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.794 109.6 59.1 -65.3 -30.4 40.8 7.9 10.9 8 8 A R H X S+ 0 0 102 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.902 106.7 47.5 -67.7 -35.3 44.1 8.4 12.8 9 9 A I H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.943 116.9 43.2 -67.7 -44.2 45.9 8.7 9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.824 125.6 29.2 -71.7 -37.2 43.3 11.1 8.1 11 11 A E H < S- 0 0 45 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.709 90.6-157.1 -95.5 -28.1 43.0 13.4 11.1 12 12 A G < - 0 0 21 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.115 26.0 -86.6 72.1-168.1 46.4 13.0 12.7 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.982 40.8 175.5-138.9 128.3 46.9 13.8 16.5 14 14 A R E -A 28 0A 142 14,-1.6 14,-2.4 -2,-0.4 4,-0.1 -0.998 18.1-161.4-135.3 133.5 47.5 17.1 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.421 74.7 60.8 -91.7 -1.4 47.7 17.6 21.9 16 16 A K E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.905 102.3 -83.8-125.2 148.7 47.2 21.4 21.9 17 17 A I E + 0 0 19 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.227 59.4 171.9 -49.7 134.1 44.1 23.3 20.6 18 18 A Y E -A 26 0A 26 8,-3.1 8,-3.3 -4,-0.1 2,-0.4 -0.895 35.2-105.9-137.3 173.1 44.5 23.8 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.870 33.4-139.8-100.8 132.3 42.4 25.1 13.8 20 20 A D > - 0 0 50 4,-2.8 3,-1.1 -2,-0.4 -1,-0.1 0.014 42.5 -78.8 -74.7-170.6 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.726 134.7 48.1 -63.1 -28.3 40.9 22.9 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.355 123.6-105.5 -92.5 -4.2 37.7 25.1 7.9 23 23 A G S < S+ 0 0 34 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.588 72.4 142.6 87.8 16.0 39.4 27.1 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.673 59.1 -98.9 -93.1 147.5 37.5 25.7 13.6 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-2.9 11,-0.4 9,-1.3 -0.466 55.3 161.2 -65.8 124.2 39.0 25.0 17.0 26 26 A T E -AB 18 32A 2 -8,-3.3 -8,-3.1 -2,-0.3 2,-0.3 -0.896 19.6-166.0-138.1 165.4 39.8 21.3 17.4 27 27 A I E > - B 0 31A 0 4,-1.7 4,-1.8 -2,-0.3 -12,-0.2 -0.983 52.0 -0.9-150.9 159.4 41.9 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.6 -2,-0.3 2,-1.0 -0.424 122.5 -3.9 70.7-132.1 43.3 15.4 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.634 128.6 -52.8 -97.4 73.5 42.2 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.761 82.8 162.1 69.4 23.6 39.9 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-1.8 -4,-1.7 1,-0.0 -1,-0.2 -0.645 32.0-143.5 -80.2 99.1 37.7 16.4 17.9 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.356 19.7-177.7 -61.8 128.5 35.8 19.6 16.8 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.886 58.2 -24.9 -96.9 -44.8 35.4 21.8 19.8 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.927 36.8-138.6-163.6 151.1 33.3 24.8 18.6 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.436 75.0 114.3 -91.9 -1.5 32.6 26.6 15.3 36 36 A S S S- 0 0 38 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.383 72.3-133.1 -73.4 144.2 32.9 29.8 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.674 75.6 101.6 -67.8 -15.9 35.7 32.2 16.7 38 38 A S > - 0 0 47 1,-0.2 4,-2.2 -13,-0.0 5,-0.1 -0.587 58.4-156.9 -81.6 122.9 36.5 32.6 20.3 39 39 A L H > S+ 0 0 71 -2,-0.5 4,-2.2 1,-0.3 -1,-0.2 0.794 99.0 54.5 -64.7 -24.7 39.5 30.8 21.8 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.887 101.7 51.6 -78.4 -41.6 37.8 31.1 25.0 41 41 A A H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.891 112.3 54.4 -59.5 -32.9 34.6 29.5 24.0 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 107.5 45.9 -62.6 -47.7 37.1 26.8 22.8 43 43 A K H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.2 11,-0.2 0.881 110.8 52.9 -66.4 -34.1 38.8 26.3 26.1 44 44 A S H X S+ 0 0 79 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.931 109.6 48.0 -65.3 -44.3 35.6 26.2 27.9 45 45 A E H X S+ 0 0 65 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.900 111.5 53.0 -62.5 -41.0 34.2 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.3 0.948 107.7 48.2 -61.5 -46.1 37.4 21.6 26.1 47 47 A A H X>S+ 0 0 23 -4,-2.4 4,-1.9 1,-0.2 5,-1.5 0.923 112.5 49.4 -61.0 -41.7 37.3 21.7 29.9 48 48 A K H <5S+ 0 0 148 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.843 110.8 51.3 -62.6 -35.3 33.6 20.5 29.8 49 49 A A H <5S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.902 119.3 35.1 -68.0 -37.7 34.7 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.584 102.4-123.3 -92.4 -23.2 37.6 16.4 29.6 51 51 A G T <5S+ 0 0 68 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.864 79.2 76.7 80.4 25.6 36.1 17.0 33.0 52 52 A R S - 0 0 15 -2,-0.3 3,-1.2 -11,-0.2 -1,-0.2 0.636 37.7-140.3-121.7 -10.2 43.0 22.2 31.2 55 55 A N T 3 S- 0 0 121 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.819 74.1 -53.5 54.1 37.1 44.3 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.431 113.7 93.2 85.7 -4.2 44.4 24.1 26.0 57 57 A V B < +C 16 0B 64 -3,-1.2 2,-0.2 -41,-0.2 -41,-0.2 -0.959 46.2 179.8-132.4 140.2 46.3 21.1 26.3 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.729 25.9-110.2-128.4 165.3 45.5 17.4 26.8 59 59 A T > - 0 0 67 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.580 34.8-104.4 -89.1 168.4 47.3 14.0 27.2 60 60 A K H > S+ 0 0 100 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.854 121.7 52.4 -56.7 -42.8 47.4 11.2 24.8 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.857 108.1 50.0 -61.2 -45.1 45.0 9.2 26.9 62 62 A E H > S+ 0 0 37 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.914 111.2 51.2 -62.1 -42.0 42.5 12.1 27.0 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -34,-0.4 0.912 110.4 46.8 -61.1 -46.6 42.8 12.3 23.2 64 64 A E H X S+ 0 0 75 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.819 109.3 55.1 -67.0 -28.9 42.2 8.7 22.6 65 65 A K H X S+ 0 0 136 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.932 108.8 45.8 -69.6 -42.0 39.3 8.7 25.0 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.892 112.6 55.1 -63.5 -34.9 37.6 11.5 23.0 67 67 A F H X S+ 0 0 15 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.952 104.9 50.1 -62.7 -50.4 38.4 9.5 19.9 68 68 A N H X S+ 0 0 89 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.912 113.0 48.2 -55.7 -40.8 36.7 6.4 21.1 69 69 A Q H X S+ 0 0 96 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.872 109.8 50.8 -68.3 -36.6 33.6 8.4 21.9 70 70 A D H X S+ 0 0 37 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.874 109.8 48.3 -69.9 -37.0 33.5 10.1 18.7 71 71 A V H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.934 112.5 50.5 -65.4 -43.7 33.8 6.9 16.6 72 72 A D H X S+ 0 0 93 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.945 111.2 48.2 -58.6 -46.7 31.0 5.3 18.7 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.927 108.9 54.8 -58.5 -44.3 28.8 8.4 18.1 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.975 110.9 43.5 -54.7 -59.5 29.6 8.3 14.4 75 75 A V H X S+ 0 0 34 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.916 115.1 49.9 -51.6 -47.9 28.4 4.6 14.1 76 76 A R H X S+ 0 0 117 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.909 107.3 54.6 -67.1 -32.2 25.3 5.3 16.3 77 77 A G H X S+ 0 0 4 -4,-2.8 4,-0.6 -5,-0.3 -1,-0.2 0.956 109.0 46.9 -63.0 -46.1 24.4 8.3 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 7,-0.3 0.942 111.5 52.4 -59.7 -48.2 24.4 6.2 11.0 79 79 A L H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 112.8 44.8 -65.2 -20.3 22.3 3.4 12.7 80 80 A R H 3< S+ 0 0 173 -4,-1.7 2,-0.4 -3,-0.2 -1,-0.3 0.422 93.0 92.4 -98.0 -9.4 19.8 5.9 13.8 81 81 A N S+ 0 0 124 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.794 118.7 41.2 -87.1 -34.5 18.8 7.5 5.1 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.4 -6,-0.2 5,-0.3 0.828 100.3 67.5 -82.6 -38.0 22.1 6.2 6.3 85 85 A K H X S+ 0 0 82 -4,-2.2 4,-2.8 -7,-0.3 5,-0.2 0.897 98.8 49.7 -53.5 -45.3 21.2 2.9 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.891 111.8 50.7 -64.3 -37.4 20.1 1.1 4.8 87 87 A V H X S+ 0 0 3 -4,-0.6 4,-0.8 2,-0.2 3,-0.3 0.961 111.5 46.0 -62.2 -51.7 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.948 110.5 53.8 -56.8 -46.8 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.854 107.1 53.7 -56.8 -34.0 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.651 96.5 86.0 -76.5 -17.3 24.0 -3.0 2.5 91 91 A L S << S- 0 0 7 -3,-1.5 31,-0.0 -4,-0.8 30,-0.0 -0.511 74.9-114.8 -93.4 161.0 27.8 -2.6 2.5 92 92 A D > - 0 0 57 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.181 45.0 -92.2 -75.8 173.5 30.8 -4.9 3.1 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.849 121.2 48.1 -60.4 -38.9 33.1 -4.3 6.1 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.961 112.9 46.2 -67.9 -49.2 35.7 -2.1 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.823 104.7 62.6 -64.5 -29.3 33.2 0.2 2.7 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.936 101.3 53.4 -57.1 -43.9 31.3 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.889 104.6 55.2 -59.8 -38.5 34.5 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.888 107.5 47.9 -64.5 -37.4 34.5 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.892 110.0 53.2 -69.9 -36.9 31.0 5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.953 106.8 53.5 -59.8 -45.2 31.9 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.934 108.0 48.6 -54.3 -48.5 34.9 8.2 8.0 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 5,-0.4 0.918 112.5 49.0 -61.2 -40.0 32.7 10.6 6.0 103 103 A V H X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.902 107.8 54.7 -66.6 -39.2 30.2 10.9 8.9 104 104 A F H < S+ 0 0 32 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.888 116.1 37.9 -60.1 -40.7 33.0 11.5 11.3 105 105 A Q H < S+ 0 0 56 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.845 132.2 20.4 -79.6 -40.1 34.3 14.4 9.2 106 106 A M H X S- 0 0 56 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.538 102.2-114.3-115.7 -2.6 31.1 16.0 8.0 107 107 A G H X - 0 0 32 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 0.089 33.4 -80.2 85.8 155.5 28.3 14.9 10.3 108 108 A E H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 126.5 54.9 -59.1 -41.6 25.2 12.8 9.8 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.950 108.2 46.9 -60.5 -48.3 23.3 15.6 8.2 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.9 1,-0.2 4,-0.2 0.933 113.4 45.5 -59.2 -53.4 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.880 106.6 61.0 -60.9 -35.7 26.4 12.8 4.5 112 112 A A H 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.774 95.2 66.0 -64.1 -20.1 22.7 12.3 4.4 113 113 A G T << S+ 0 0 54 -4,-1.0 2,-1.4 -3,-0.9 -1,-0.3 0.590 75.6 84.9 -77.4 -11.7 22.7 15.0 1.9 114 114 A F <> + 0 0 42 -3,-2.3 4,-2.5 -4,-0.2 3,-0.3 -0.276 55.8 158.9 -87.9 56.6 24.6 13.0 -0.7 115 115 A T H > + 0 0 86 -2,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.837 66.6 44.0 -46.4 -52.8 21.4 11.4 -1.9 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.895 113.7 48.1 -65.3 -43.0 22.5 10.3 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.907 110.3 54.4 -63.9 -39.3 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 107.5 49.6 -62.1 -40.5 24.1 7.0 -1.5 119 119 A R H X S+ 0 0 120 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.918 111.0 50.9 -65.1 -39.4 21.7 5.4 -4.0 120 120 A M H <>S+ 0 0 26 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.860 108.7 49.8 -67.4 -34.0 24.6 4.4 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.8 3,-0.2 -2,-0.2 0.933 108.6 52.7 -69.5 -41.7 26.4 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 92 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.898 110.2 49.1 -57.6 -39.1 23.3 0.8 -2.2 123 123 A Q T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.437 112.6-123.0 -78.0 -5.4 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 100 -3,-1.8 2,-1.2 -4,-0.2 -3,-0.2 0.807 60.5 147.7 62.3 35.5 26.8 -1.4 -5.8 125 125 A R >< + 0 0 112 -5,-2.4 4,-2.5 1,-0.2 -1,-0.2 -0.720 20.8 175.4-101.5 76.5 27.6 0.8 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.894 69.7 43.4 -53.6 -53.6 31.1 1.6 -7.5 127 127 A D H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 115.8 49.2 -65.2 -39.7 32.6 3.6 -10.4 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 111.3 48.3 -68.9 -40.8 29.5 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -9,-0.2 -2,-0.2 0.906 108.7 54.3 -63.8 -39.4 29.3 6.4 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.907 109.3 49.4 -59.1 -42.2 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 87 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.943 113.1 45.4 -63.4 -47.7 32.4 9.9 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.896 108.0 56.7 -63.7 -39.7 29.4 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.860 100.5 60.3 -61.3 -33.1 31.1 11.7 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.6 -3,-0.3 -1,-0.2 0.696 86.2 78.2 -71.4 -18.3 33.9 13.8 -6.4 135 135 A K S << S+ 0 0 152 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.562 80.4 96.0 -91.8 71.5 31.4 16.5 -7.5 136 136 A S S > S- 0 0 18 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.994 86.0-114.8-152.7 156.4 31.2 18.0 -4.1 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.897 115.7 63.9 -60.1 -36.6 32.6 20.8 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.945 104.3 42.9 -48.3 -55.6 34.0 18.0 0.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.6 49.9 -61.8 -41.2 36.2 16.7 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.6 41.0 -67.2 -39.8 37.2 20.2 -3.7 141 141 A Q H < S+ 0 0 100 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.883 131.4 22.1 -75.6 -43.8 38.2 21.4 -0.3 142 142 A T S X S+ 0 0 24 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 -0.616 72.5 162.5-128.2 68.9 40.1 18.2 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.829 68.5 52.0 -60.2 -37.8 41.0 16.4 -2.1 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.903 116.6 39.5 -70.9 -37.0 43.7 14.1 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.895 114.3 54.2 -73.4 -43.6 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.965 107.6 51.0 -56.9 -47.2 38.5 12.7 -0.3 147 147 A K H X S+ 0 0 92 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.873 108.5 52.0 -57.1 -39.3 40.4 10.6 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.941 113.0 43.5 -63.0 -45.3 41.4 8.1 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 114.5 51.1 -65.0 -47.8 37.8 7.6 1.0 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.901 108.4 50.4 -55.0 -47.8 36.6 7.5 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.6 4,-2.5 -5,-0.3 6,-0.3 0.881 106.3 56.6 -60.5 -39.0 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.921 110.4 44.4 -59.3 -41.7 38.0 2.8 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.883 114.2 49.6 -69.0 -37.1 34.4 2.8 -1.9 154 154 A R H < S+ 0 0 104 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.929 126.3 23.0 -65.0 -48.1 35.4 2.0 -5.4 155 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.662 84.7-138.1 -94.5 -27.3 37.6 -0.9 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.767 71.6 99.5 68.9 25.9 36.5 -2.2 -1.2 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.3 -5,-0.3 -1,-0.2 -0.863 80.1-117.6-130.6 178.0 40.2 -2.7 -0.1 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.5 1,-0.2 4,-0.7 0.159 71.9 120.3-101.3 13.3 42.5 -0.6 2.0 159 159 A D G >4 + 0 0 94 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.804 65.2 59.9 -51.2 -36.0 45.0 0.1 -0.6 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.637 110.7 45.0 -68.5 -14.9 44.7 3.9 -0.5 161 161 A Y G <4 0 0 19 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.441 360.0 360.0-106.7 -2.8 45.8 3.7 3.0 162 162 A K << 0 0 170 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.1 0.863 360.0 360.0 -97.3 360.0 48.6 1.2 2.6