==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 17-DEC-92 107L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8622.0 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 . 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 . 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 2 1 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 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 0.000 360.0 360.0 360.0 146.3 43.5 -1.8 9.2 2 2 A N > - 0 0 69 95,-0.0 4,-2.4 92,-0.0 5,-0.1 -0.867 360.0 -84.6-145.9 175.5 40.3 -0.9 11.0 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.826 124.7 53.6 -55.8 -41.1 38.2 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 112.1 41.5 -61.9 -49.9 40.3 3.6 14.2 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.861 114.7 54.3 -67.0 -34.6 43.6 3.3 12.4 6 6 A M H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.5 0.972 112.0 41.2 -63.8 -53.7 42.0 4.7 9.2 7 7 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.4 0.823 109.1 60.7 -63.2 -33.6 40.6 7.8 10.9 8 8 A R H 3X S+ 0 0 99 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.868 107.9 45.7 -62.0 -30.2 43.9 8.3 12.9 9 9 A I H << S+ 0 0 85 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.872 115.5 46.3 -78.1 -41.4 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.877 124.5 28.4 -70.8 -35.2 43.1 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.7 19,-0.3 1,-0.1 -3,-0.2 0.718 90.9-151.4-100.4 -25.6 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.3 2,-0.4 -5,-0.4 -1,-0.1 -0.270 26.6 -86.6 76.8-173.5 46.3 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.974 42.3 175.3-139.1 127.0 46.7 13.7 16.5 14 14 A R E -A 28 0A 141 14,-1.5 14,-2.1 -2,-0.4 4,-0.1 -0.995 19.6-163.3-137.8 127.7 47.2 17.1 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-1.8 12,-0.2 2,-0.3 0.438 74.6 63.0 -89.4 -1.1 47.4 17.7 21.9 16 16 A K E S-C 57 0B 141 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.928 99.8 -88.2-125.0 148.2 46.8 21.4 21.7 17 17 A I E + 0 0 28 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.210 58.8 171.9 -48.4 139.5 43.7 23.3 20.4 18 18 A Y E -A 26 0A 27 8,-3.0 8,-2.8 -4,-0.1 2,-0.4 -0.901 34.9-103.4-144.9 171.9 44.1 23.8 16.7 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.866 33.3-138.8-103.1 134.8 42.2 25.0 13.8 20 20 A D > - 0 0 50 4,-3.1 3,-1.3 -2,-0.4 -1,-0.1 -0.020 39.9 -82.9 -76.5-169.4 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.767 134.1 48.4 -70.3 -21.6 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.461 125.2-104.0 -91.4 -6.8 37.6 25.0 7.7 23 23 A G S < S+ 0 0 35 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.502 73.1 142.0 94.4 12.4 39.2 27.1 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-3.1 -5,-0.0 -1,-0.3 -0.657 60.2 -98.7 -94.2 149.5 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 34 9,-0.9 8,-2.9 11,-0.4 9,-1.4 -0.458 54.9 163.9 -66.0 120.6 38.7 25.0 16.9 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-3.0 6,-0.3 2,-0.3 -0.900 17.8-170.8-135.6 162.1 39.6 21.3 17.2 27 27 A I E > - B 0 31A 0 4,-1.6 4,-1.8 -2,-0.3 -12,-0.2 -0.979 52.2 -1.5-151.1 163.9 41.6 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.5 -2,-0.3 2,-1.0 -0.312 122.8 -3.4 64.1-130.6 42.9 15.5 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.582 127.7 -54.7 -99.3 67.5 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.2 -19,-0.3 -2,-0.2 0.773 82.9 161.9 70.7 23.5 39.6 15.5 14.8 31 31 A H E < -B 27 0A 34 -4,-1.8 -4,-1.6 1,-0.0 -1,-0.2 -0.629 33.4-141.7 -80.4 99.8 37.4 16.3 17.7 32 32 A L E -B 26 0A 67 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.302 20.5-177.1 -56.6 129.9 35.5 19.5 16.7 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.867 57.2 -24.8 -95.7 -53.2 35.2 21.8 19.7 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.9 2,-0.1 -1,-0.4 -0.985 35.0-139.5-158.5 151.3 33.2 24.8 18.4 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.443 75.0 112.0 -90.4 -1.8 32.4 26.6 15.3 36 36 A S S S- 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.444 72.8-133.0 -73.7 145.1 32.7 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.625 75.7 106.7 -69.7 -13.0 35.6 32.2 16.6 38 38 A S > - 0 0 49 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.597 56.6-161.1 -80.5 122.6 36.3 32.4 20.3 39 39 A L H > S+ 0 0 78 -2,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.692 100.1 49.3 -67.5 -16.5 39.3 30.7 21.6 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.847 103.0 54.7 -91.6 -35.0 37.6 31.0 24.9 41 41 A A H > S+ 0 0 39 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.915 113.6 47.6 -60.4 -31.4 34.4 29.7 23.8 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.835 107.6 52.3 -75.7 -37.4 36.7 26.7 22.7 43 43 A K H X S+ 0 0 52 -4,-1.5 4,-2.1 1,-0.2 11,-0.3 0.869 110.1 50.8 -68.3 -34.7 38.6 26.3 25.9 44 44 A G H X S+ 0 0 38 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.913 109.1 47.9 -68.8 -44.6 35.4 26.1 27.8 45 45 A E H X S+ 0 0 76 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.891 111.7 54.7 -61.7 -38.3 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.906 108.1 46.1 -61.7 -42.9 37.2 21.6 26.0 47 47 A D H X>S+ 0 0 37 -4,-2.1 4,-2.4 1,-0.2 5,-1.2 0.906 112.1 51.4 -67.9 -39.6 37.0 21.7 29.8 48 48 A K H <5S+ 0 0 144 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.884 110.9 49.1 -59.7 -44.2 33.4 20.6 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 120.1 35.2 -66.0 -40.9 34.3 17.6 27.4 50 50 A I H <5S- 0 0 35 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.700 100.5-127.9 -88.7 -23.8 37.3 16.5 29.6 51 51 A G T <5S+ 0 0 71 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.839 78.0 76.6 76.2 30.7 35.8 17.3 33.0 52 52 A R S - 0 0 10 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.761 32.6-144.1 -96.9 -26.7 42.7 22.0 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.912 75.5 -56.6 61.6 41.6 44.0 25.4 29.7 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.504 117.7 99.8 71.2 7.8 43.8 24.1 26.1 57 57 A V B < +C 16 0B 54 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.976 43.0 177.1-129.8 138.3 46.0 21.1 26.5 58 58 A I - 0 0 4 -43,-1.8 2,-0.2 -2,-0.4 -30,-0.1 -0.852 27.0-112.5-128.8 166.3 45.1 17.4 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.550 35.7-101.4 -93.5 169.1 47.1 14.1 27.2 60 60 A K H > S+ 0 0 107 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.853 122.6 53.5 -53.6 -45.4 47.2 11.2 24.7 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.839 107.9 49.9 -56.5 -45.9 44.7 9.2 26.8 62 62 A E H > S+ 0 0 42 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.892 110.8 50.5 -63.5 -40.7 42.2 12.1 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -34,-0.4 0.890 110.8 48.9 -64.0 -41.0 42.5 12.4 23.1 64 64 A E H X S+ 0 0 78 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.855 108.2 53.7 -69.0 -32.2 41.9 8.7 22.7 65 65 A K H X S+ 0 0 135 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.958 109.8 46.5 -67.2 -44.1 38.9 8.8 25.0 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.922 111.4 53.6 -60.3 -43.0 37.3 11.5 23.0 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-2.0 -5,-0.2 5,-0.3 0.916 106.6 50.5 -60.7 -44.9 38.2 9.6 19.9 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.921 112.0 48.9 -61.3 -42.0 36.4 6.4 21.2 69 69 A Q H X S+ 0 0 94 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.893 110.7 51.1 -60.1 -44.0 33.3 8.4 22.0 70 70 A D H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.867 109.6 46.5 -64.7 -38.6 33.3 10.0 18.6 71 71 A V H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.944 113.7 51.1 -69.8 -42.2 33.5 6.8 16.5 72 72 A D H X S+ 0 0 89 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.951 111.1 46.5 -59.6 -46.5 30.8 5.3 18.7 73 73 A A H X S+ 0 0 45 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.910 110.3 55.3 -63.5 -38.1 28.5 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.965 111.2 42.9 -58.5 -52.3 29.3 8.2 14.4 75 75 A V H X S+ 0 0 32 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.917 114.9 49.7 -58.4 -50.5 28.2 4.5 14.1 76 76 A R H X S+ 0 0 114 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.868 109.4 52.5 -60.0 -37.0 25.1 5.1 16.4 77 77 A G H < S+ 0 0 2 -4,-2.9 4,-0.4 -5,-0.3 -1,-0.2 0.921 108.8 49.1 -66.1 -41.4 24.1 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 7,-0.3 0.940 111.3 50.5 -58.7 -46.8 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.776 112.4 46.5 -66.1 -26.8 22.2 3.3 12.7 80 80 A R T 3< S+ 0 0 173 -4,-1.6 2,-0.6 -5,-0.1 -1,-0.3 0.347 94.2 96.5 -91.9 -2.7 19.5 5.8 13.8 81 81 A N <> - 0 0 19 -3,-1.1 4,-2.8 -4,-0.4 3,-0.0 -0.782 63.9-152.8 -98.7 123.7 19.4 7.5 10.5 82 82 A A T 4 S+ 0 0 88 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.852 97.2 41.3 -63.1 -29.5 16.7 6.5 8.0 83 83 A K T 4 S+ 0 0 124 1,-0.1 4,-0.4 2,-0.1 -1,-0.2 0.779 121.1 40.3 -85.8 -28.8 18.7 7.4 5.0 84 84 A L T > S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 3,-0.3 0.839 100.4 68.5 -87.5 -40.5 22.0 6.1 6.2 85 85 A K H X S+ 0 0 81 -4,-2.8 4,-2.6 -7,-0.3 5,-0.2 0.882 99.1 48.8 -49.4 -46.5 21.1 2.9 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.865 110.9 51.9 -68.2 -30.2 20.0 1.0 4.8 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-0.6 -3,-0.3 3,-0.3 0.969 111.7 45.5 -67.1 -51.6 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 32 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.913 110.4 53.5 -54.6 -48.2 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.7 54.7 -60.8 -32.4 23.5 -2.5 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.3 2,-0.2 0.622 96.7 88.3 -72.8 -20.4 24.0 -3.1 2.5 91 91 A L S << S- 0 0 5 -3,-1.4 31,-0.0 -4,-0.6 30,-0.0 -0.587 74.3-117.9 -90.9 156.3 27.7 -2.7 2.6 92 92 A D > - 0 0 56 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.145 45.0 -93.2 -76.6 170.7 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.858 121.6 48.1 -58.2 -40.8 33.0 -4.4 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.2 1,-0.2 3,-0.3 0.939 113.6 46.9 -64.9 -49.9 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.843 105.0 59.6 -63.5 -35.5 33.1 0.0 2.7 96 96 A R H X S+ 0 0 82 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.903 102.3 55.4 -60.2 -35.0 31.2 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.891 105.9 52.1 -61.3 -38.6 34.5 1.9 7.4 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.867 109.3 48.0 -64.2 -41.2 34.4 4.4 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.902 110.2 51.7 -68.1 -38.4 30.9 5.5 5.3 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.891 106.9 55.0 -65.8 -36.3 31.8 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 5,-0.2 0.954 107.5 48.4 -62.6 -47.8 34.7 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.896 112.7 49.0 -59.3 -40.8 32.5 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.942 107.9 52.9 -66.7 -45.7 30.1 10.7 8.9 104 104 A F H < S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 117.8 39.6 -53.8 -37.5 32.9 11.4 11.4 105 105 A Q H < S+ 0 0 57 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.836 131.8 19.5 -85.1 -38.6 34.1 14.3 9.2 106 106 A M H X S- 0 0 51 -4,-2.5 4,-0.6 -5,-0.2 -3,-0.2 0.526 102.0-116.3-120.0 0.5 31.0 15.8 8.0 107 107 A G H X - 0 0 34 -4,-2.9 4,-2.0 -5,-0.3 5,-0.2 0.145 35.3 -80.6 81.1 157.7 28.2 14.8 10.3 108 108 A E H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 128.0 55.3 -61.3 -42.1 25.2 12.7 9.6 109 109 A T H > S+ 0 0 124 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.946 108.0 48.7 -57.9 -49.1 23.3 15.6 8.1 110 110 A G H >< S+ 0 0 34 -4,-0.6 3,-0.9 2,-0.2 -2,-0.2 0.925 114.0 43.9 -55.5 -55.4 26.1 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-3.2 1,-0.3 -1,-0.2 0.922 105.6 61.7 -60.6 -43.7 26.5 12.7 4.4 112 112 A A H 3< S+ 0 0 13 -4,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.793 94.5 67.2 -54.9 -23.0 22.7 12.2 4.2 113 113 A G T << S+ 0 0 57 -4,-0.9 2,-0.4 -3,-0.9 -1,-0.3 0.522 77.7 80.6 -75.0 -6.8 22.9 15.0 1.6 114 114 A F X> + 0 0 36 -3,-3.2 4,-2.3 1,-0.2 3,-0.6 -0.236 58.0 153.7 -92.0 45.1 24.8 12.8 -0.9 115 115 A T H 3> + 0 0 82 -2,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.810 65.7 46.5 -39.6 -54.4 21.5 11.3 -1.9 116 116 A N H 3> S+ 0 0 88 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.886 113.4 46.5 -62.3 -42.6 22.5 10.2 -5.4 117 117 A S H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.868 109.6 55.4 -69.4 -37.7 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.866 106.8 51.6 -61.4 -36.4 24.2 6.8 -1.5 119 119 A R H X S+ 0 0 119 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.891 110.4 48.2 -68.4 -38.1 21.8 5.3 -4.0 120 120 A M H <>S+ 0 0 27 -4,-1.6 5,-2.5 2,-0.2 -2,-0.2 0.887 110.3 50.4 -69.8 -39.8 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.923 108.9 53.3 -62.0 -43.7 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.882 109.5 47.5 -59.8 -36.9 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.387 113.8-121.1 -83.8 -0.7 23.1 -0.6 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.9 2,-1.3 1,-0.2 -3,-0.2 0.732 61.5 148.9 61.6 33.4 26.7 -1.6 -5.7 125 125 A R >< + 0 0 117 -5,-2.5 4,-2.0 1,-0.2 -1,-0.2 -0.725 19.7 173.5 -95.6 77.0 27.6 0.6 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.874 68.5 46.0 -57.8 -53.4 31.1 1.3 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 115.7 47.5 -60.6 -43.8 32.7 3.2 -10.4 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.884 110.8 51.0 -66.5 -35.6 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.906 107.9 53.4 -65.6 -40.3 29.4 6.1 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.866 110.2 47.6 -63.1 -39.5 33.1 7.1 -7.1 131 131 A V H >< S+ 0 0 89 -4,-1.9 3,-0.5 1,-0.2 4,-0.5 0.937 114.0 45.9 -67.2 -45.8 32.5 9.6 -10.0 132 132 A N H >< S+ 0 0 41 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.877 106.7 58.6 -66.6 -37.1 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.849 99.1 61.0 -61.2 -30.7 31.2 11.4 -4.9 134 134 A A T << S+ 0 0 28 -4,-0.9 2,-1.5 -3,-0.5 -1,-0.2 0.673 85.3 79.1 -73.5 -15.9 33.9 13.6 -6.6 135 135 A K S < S+ 0 0 153 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.573 79.9 96.6 -90.1 67.7 31.3 16.3 -7.6 136 136 A S S > S- 0 0 18 -2,-1.5 4,-1.9 1,-0.1 3,-0.2 -0.995 85.3-116.5-154.2 155.7 31.2 17.8 -4.3 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.881 113.9 63.8 -55.4 -42.2 32.6 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.911 104.5 43.0 -47.7 -53.1 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.1 49.9 -67.1 -39.0 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.7 42.5 -69.5 -33.1 37.3 20.1 -3.8 141 141 A Q H < S+ 0 0 104 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 131.7 19.4 -79.8 -42.9 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 -0.528 72.5 163.6-128.2 66.3 40.0 18.1 0.9 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.806 71.2 50.3 -55.9 -38.4 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.906 115.4 41.1 -71.1 -43.2 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 -3,-0.2 5,-0.2 0.934 115.8 52.2 -68.1 -45.3 41.5 12.6 2.1 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -8,-0.2 5,-0.3 0.939 107.0 52.5 -54.2 -49.1 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 96 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.905 108.4 51.1 -55.6 -41.4 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.5 4,-1.7 2,-0.2 12,-0.2 0.942 114.4 42.5 -61.3 -49.6 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.915 115.4 50.2 -62.0 -45.3 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.873 109.0 50.7 -61.5 -42.3 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.5 4,-2.6 -5,-0.3 6,-0.3 0.886 107.4 55.0 -65.3 -34.2 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.861 110.3 45.9 -64.7 -38.1 38.0 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.885 114.6 47.1 -70.7 -42.5 34.4 2.8 -1.8 154 154 A R H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.931 126.1 26.7 -64.4 -43.0 35.4 1.9 -5.4 155 155 A T H < S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.690 83.2-138.8 -96.8 -28.6 37.7 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.1 2,-0.2 -5,-0.3 -62,-0.2 0.670 72.6 100.9 70.6 19.7 36.5 -2.4 -1.1 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.4 -5,-0.1 -1,-0.3 -0.779 80.2-120.0-126.1 171.3 40.1 -2.8 -0.1 158 158 A W S > S+ 0 0 43 -2,-0.2 3,-1.9 1,-0.2 4,-0.3 0.166 70.8 122.9 -97.1 19.6 42.4 -0.7 2.2 159 159 A D G > + 0 0 90 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.813 64.8 58.7 -51.1 -37.7 44.9 -0.1 -0.5 160 160 A A G 3 S+ 0 0 37 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.684 109.1 47.2 -68.8 -18.2 44.7 3.8 -0.3 161 161 A Y G < 0 0 20 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.341 360.0 360.0-104.3 3.9 45.8 3.6 3.2 162 162 A K < 0 0 177 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.859 360.0 360.0 -99.7 360.0 48.6 1.2 2.6