==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-99 1QT8 . COMPND 2 MOLECULE: PROTEIN (T4 LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.KUROKI,L.H.WEAVER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8908.0 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 . 12 7.3 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 . 10 6.1 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 1 0 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.8 44.0 -2.0 9.2 2 2 A N > - 0 0 70 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.891 360.0 -85.0-148.1 174.6 40.7 -0.8 11.0 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.831 124.0 49.9 -53.1 -39.4 38.5 2.3 11.4 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 113.6 45.0 -68.6 -43.9 40.6 3.7 14.3 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.930 113.8 52.0 -63.6 -42.8 43.9 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.938 113.9 40.8 -55.9 -53.2 42.2 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.801 108.4 60.2 -71.6 -27.0 41.0 7.9 11.0 8 8 A R H X S+ 0 0 107 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.912 108.5 47.4 -65.6 -33.2 44.1 8.3 13.0 9 9 A I H < S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.941 115.1 43.5 -68.8 -50.0 45.9 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.807 124.5 32.3 -69.1 -30.0 43.4 11.1 8.2 11 11 A E H < S- 0 0 40 -4,-2.2 19,-0.3 -5,-0.2 -1,-0.2 0.728 88.3-154.2-101.8 -28.1 43.1 13.3 11.2 12 12 A G < - 0 0 22 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.2 -0.295 27.6 -87.6 80.5-166.7 46.5 13.2 12.9 13 13 A L - 0 0 41 16,-0.1 2,-0.5 -2,-0.1 16,-0.2 -0.872 38.5-178.1-147.9 112.0 46.8 13.8 16.7 14 14 A R E -A 28 0A 139 14,-2.7 14,-2.3 -2,-0.3 4,-0.1 -0.952 15.6-163.1-117.7 126.5 47.3 17.3 18.2 15 15 A L E S+ 0 0 55 -2,-0.5 43,-1.7 12,-0.2 2,-0.3 0.492 76.6 54.2 -81.1 -6.7 47.7 17.7 21.9 16 16 A K E S-C 57 0B 122 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.895 102.9 -82.1-125.6 154.9 46.8 21.5 21.9 17 17 A I E + 0 0 29 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.255 58.6 171.5 -55.0 141.5 43.8 23.3 20.5 18 18 A Y E -A 26 0A 25 8,-3.2 8,-3.9 -4,-0.1 2,-0.3 -0.922 33.9-113.3-147.4 167.6 44.2 23.8 16.8 19 19 A K E -A 25 0A 118 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.722 29.4-144.0-101.3 142.6 42.2 25.0 13.7 20 20 A D > - 0 0 41 4,-1.6 3,-2.4 -2,-0.3 -1,-0.0 -0.506 46.8 -73.4 -98.7-173.5 41.3 22.5 11.1 21 21 A T T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.667 134.7 52.7 -51.8 -25.6 41.3 23.4 7.4 22 22 A E T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.182 117.8-109.2 -97.0 16.6 37.9 25.3 7.8 23 23 A G S < S+ 0 0 26 -3,-2.4 2,-0.2 1,-0.2 -2,-0.1 0.374 73.7 138.3 71.4 6.5 39.4 27.4 10.7 24 24 A Y - 0 0 81 1,-0.1 -4,-1.6 -5,-0.1 2,-0.3 -0.572 58.6-103.8 -83.2 148.4 37.2 25.7 13.4 25 25 A Y E +AB 19 34A 38 9,-1.0 8,-3.0 11,-0.4 9,-1.4 -0.529 50.3 157.6 -77.7 133.1 38.7 24.8 16.8 26 26 A H E -AB 18 32A 18 -8,-3.9 -8,-3.2 -2,-0.3 2,-0.3 -0.843 20.4-164.4-138.3 173.5 39.6 21.3 17.4 27 27 A I E > + B 0 31A 0 4,-2.0 4,-1.9 -2,-0.3 2,-0.2 -0.984 53.5 2.5-153.9 161.3 41.8 19.1 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-2.7 -2,-0.3 2,-0.8 -0.460 121.2 -3.6 72.5-134.2 43.0 15.6 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.666 128.7 -52.9-101.7 65.9 42.1 13.2 16.9 30 30 A G T 4 S+ 0 0 9 -2,-0.8 2,-0.8 -19,-0.3 -2,-0.2 0.832 84.1 164.4 68.9 33.2 39.8 15.4 14.9 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-2.0 1,-0.0 -1,-0.2 -0.771 32.6-138.3 -89.1 110.0 37.6 16.3 17.8 32 32 A L E +B 26 0A 78 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.389 24.4 177.3 -62.8 122.0 35.5 19.4 16.9 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.871 58.9 -19.6 -93.8 -56.9 35.3 21.8 19.9 34 34 A T E -B 25 0A 25 -9,-1.4 -9,-1.0 2,-0.1 -1,-0.4 -0.993 40.2-138.5-154.9 155.0 33.3 24.6 18.7 35 35 A K S S+ 0 0 131 -2,-0.3 -1,-0.1 -11,-0.2 -3,-0.0 0.359 76.3 93.6 -91.2 -2.7 32.2 26.3 15.5 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.4 -11,-0.1 -2,-0.1 -0.578 82.0-113.4-103.2 165.6 32.8 29.7 16.8 37 37 A P S S+ 0 0 115 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.507 79.2 106.3 -64.0 -20.4 35.5 32.3 16.8 38 38 A S > - 0 0 61 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.613 46.2-171.7 -81.7 120.3 36.3 32.2 20.4 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.9 2,-0.2 5,-0.2 0.810 98.6 53.6 -68.7 -26.0 39.3 30.6 21.7 40 40 A N H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.968 106.4 49.4 -70.1 -47.4 37.8 31.1 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.858 113.6 48.6 -53.4 -44.3 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.932 109.9 49.1 -66.8 -44.6 36.8 26.6 22.7 43 43 A K H X S+ 0 0 53 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.886 111.1 53.6 -61.6 -33.4 38.8 26.4 25.9 44 44 A S H X S+ 0 0 76 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.949 109.3 45.4 -67.3 -49.0 35.4 26.4 27.6 45 45 A E H X S+ 0 0 70 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.858 108.9 58.2 -65.8 -33.3 34.1 23.5 25.7 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.916 105.8 47.1 -62.9 -39.9 37.3 21.7 26.1 47 47 A D H X>S+ 0 0 34 -4,-1.8 4,-3.0 2,-0.2 5,-1.3 0.906 111.5 50.9 -66.7 -40.2 37.2 21.7 29.9 48 48 A K H <5S+ 0 0 148 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.888 112.7 47.5 -62.0 -44.5 33.5 20.6 30.0 49 49 A A H <5S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 121.7 35.8 -66.6 -36.9 34.5 17.6 27.6 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.754 101.9-129.0 -87.2 -32.7 37.5 16.6 29.7 51 51 A G T <5S+ 0 0 66 -4,-3.0 2,-0.3 1,-0.4 -3,-0.2 0.764 74.5 66.5 88.7 27.8 36.2 17.4 33.1 52 52 A R S - 0 0 10 -2,-0.9 3,-0.9 -11,-0.2 -1,-0.2 0.751 33.7-144.5 -92.7 -37.4 43.0 22.0 30.9 55 55 A N T 3 S- 0 0 116 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.956 75.4 -55.6 61.6 46.4 44.2 25.4 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.2 1,-0.1 2,-0.4 0.499 119.8 96.9 62.9 11.7 44.0 24.2 26.2 57 57 A V B < +C 16 0B 67 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.978 44.9 175.1-133.1 143.0 46.1 21.2 26.6 58 58 A I - 0 0 6 -43,-1.7 2,-0.1 -2,-0.4 -30,-0.1 -0.883 29.7-103.3-136.3 168.2 45.3 17.5 27.2 59 59 A T > - 0 0 59 -2,-0.3 4,-2.6 1,-0.1 3,-0.2 -0.445 32.7-108.3 -91.1 167.9 47.1 14.2 27.5 60 60 A K H > S+ 0 0 112 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.915 122.2 53.1 -59.0 -45.2 47.3 11.4 24.9 61 61 A D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.870 108.0 51.6 -56.8 -41.3 45.1 9.3 26.9 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 110.0 49.3 -61.6 -46.4 42.6 12.1 27.0 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -34,-0.4 0.894 110.7 49.4 -62.1 -40.5 42.7 12.4 23.3 64 64 A E H X S+ 0 0 86 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.864 107.5 55.8 -69.9 -31.1 42.2 8.7 22.9 65 65 A K H X S+ 0 0 141 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.936 108.9 44.7 -64.4 -49.0 39.3 8.8 25.2 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 112.5 56.1 -60.0 -38.8 37.5 11.5 23.1 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.933 107.0 46.5 -58.1 -52.0 38.4 9.5 20.0 68 68 A N H X S+ 0 0 87 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.902 112.7 49.9 -60.5 -41.8 36.8 6.4 21.2 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.913 112.8 48.9 -65.7 -37.3 33.7 8.3 22.2 70 70 A D H X S+ 0 0 33 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.856 109.3 48.9 -67.1 -36.7 33.6 10.0 18.7 71 71 A V H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.968 112.1 52.0 -64.3 -50.3 34.0 6.8 16.7 72 72 A D H X S+ 0 0 99 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.919 109.8 47.4 -50.3 -49.5 31.2 5.3 18.8 73 73 A A H X S+ 0 0 62 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.891 108.0 55.9 -66.4 -35.0 28.9 8.3 18.2 74 74 A A H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.974 109.7 45.5 -61.3 -50.5 29.6 8.2 14.4 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 114.0 48.3 -56.7 -46.0 28.5 4.5 14.1 76 76 A R H X S+ 0 0 133 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.880 108.8 54.8 -62.7 -38.2 25.4 5.2 16.3 77 77 A G H X S+ 0 0 15 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.896 108.6 48.2 -59.2 -46.1 24.5 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 7,-0.3 0.953 112.4 50.0 -59.4 -48.3 24.6 6.1 11.0 79 79 A L H 3< S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.817 111.9 45.3 -68.0 -28.5 22.4 3.4 12.7 80 80 A R H 3< S+ 0 0 194 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.3 0.597 94.6 99.3 -90.7 -4.4 19.9 5.8 13.8 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.4 -6,-0.2 5,-0.2 0.851 99.4 69.3 -85.4 -34.1 22.3 6.1 6.2 85 85 A K H X S+ 0 0 85 -4,-3.2 4,-2.7 -7,-0.3 5,-0.2 0.895 98.0 47.3 -54.9 -48.4 21.3 2.8 7.7 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.867 111.5 52.8 -65.2 -30.5 20.3 0.9 4.7 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-0.7 -3,-0.2 3,-0.3 0.976 111.6 45.0 -67.8 -49.0 23.4 2.0 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.860 109.8 54.4 -61.9 -36.7 25.7 0.8 5.6 89 89 A D H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 106.7 53.0 -69.9 -26.1 23.9 -2.4 6.1 90 90 A S H 3< S+ 0 0 43 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.610 97.2 85.8 -80.1 -12.6 24.3 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-0.8 31,-0.0 -4,-0.7 30,-0.0 -0.574 77.3-112.8 -91.2 160.6 28.1 -2.6 2.4 92 92 A D > - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.185 44.1 -92.5 -77.1 170.7 31.0 -4.9 3.1 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.852 123.0 48.3 -56.9 -40.1 33.3 -4.3 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 112.8 47.0 -68.7 -44.9 35.9 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.885 105.6 60.4 -64.0 -35.1 33.3 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.925 102.2 54.3 -56.7 -40.5 31.5 0.5 6.0 97 97 A A H X S+ 0 0 8 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.902 104.5 53.6 -60.6 -41.5 34.7 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.879 109.0 48.2 -64.3 -36.0 34.8 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.912 109.5 51.8 -69.9 -35.7 31.2 5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.945 107.0 56.5 -64.3 -42.9 32.0 6.0 9.1 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 108.8 44.9 -52.6 -49.1 35.1 8.1 8.0 102 102 A M H X S+ 0 0 4 -4,-1.8 4,-3.1 2,-0.2 5,-0.4 0.899 112.4 51.3 -63.3 -41.0 32.9 10.6 6.1 103 103 A V H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.917 109.5 50.4 -61.9 -42.7 30.4 10.8 8.9 104 104 A F H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.7 43.9 -62.8 -42.0 33.1 11.5 11.4 105 105 A Q H < S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.856 132.7 10.6 -77.7 -39.0 34.4 14.2 9.2 106 106 A M H X S- 0 0 56 -4,-3.1 4,-0.7 -5,-0.2 -3,-0.2 0.541 102.6-107.4-126.0 8.7 31.3 16.0 8.2 107 107 A G H X - 0 0 29 -4,-2.7 4,-2.4 -5,-0.4 5,-0.2 0.189 30.5 -85.2 83.5 149.7 28.5 14.8 10.1 108 108 A E H > S+ 0 0 63 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.857 127.1 53.8 -56.9 -44.3 25.5 12.6 9.5 109 109 A T H > S+ 0 0 125 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.906 108.5 48.0 -60.0 -49.2 23.6 15.5 8.2 110 110 A G H < S+ 0 0 28 -4,-0.7 3,-0.2 1,-0.2 -2,-0.2 0.898 116.8 44.3 -65.0 -36.9 26.3 16.4 5.7 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.909 102.5 61.5 -72.6 -44.8 26.6 12.7 4.5 112 112 A A H 3< S+ 0 0 11 -4,-3.6 -1,-0.2 1,-0.3 3,-0.2 0.771 97.2 65.9 -54.4 -20.2 22.9 12.0 4.3 113 113 A G T 3< S+ 0 0 54 -4,-0.8 2,-0.5 -3,-0.2 -1,-0.3 0.530 73.6 86.8 -81.4 -2.4 22.9 14.8 1.7 114 114 A F <> + 0 0 40 -3,-2.5 4,-2.5 1,-0.2 3,-0.3 -0.219 58.9 158.0 -87.5 43.4 25.1 12.8 -0.9 115 115 A T H > + 0 0 69 -2,-0.5 4,-1.9 1,-0.3 -1,-0.2 0.796 63.6 42.0 -34.1 -59.6 21.8 11.3 -2.1 116 116 A N H > S+ 0 0 97 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.893 115.8 49.3 -67.5 -40.0 22.9 10.2 -5.6 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.856 108.7 54.8 -66.3 -34.2 26.2 8.8 -4.4 118 118 A L H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.926 108.0 48.6 -62.7 -44.2 24.4 6.9 -1.6 119 119 A R H X S+ 0 0 165 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.936 111.5 51.1 -63.2 -42.7 22.0 5.3 -4.2 120 120 A M H <>S+ 0 0 39 -4,-2.1 5,-2.0 1,-0.2 -1,-0.2 0.905 109.5 47.7 -64.0 -42.7 25.0 4.3 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.915 109.1 55.5 -65.7 -36.6 26.9 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.883 107.6 49.3 -62.0 -34.0 23.8 0.9 -2.5 123 123 A Q T 3<5S- 0 0 87 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.297 113.9-116.3 -86.9 9.4 23.6 -0.5 -6.0 124 124 A K T < 5 + 0 0 101 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.742 64.8 147.4 59.7 32.1 27.2 -1.6 -6.0 125 125 A R >< + 0 0 105 -5,-2.0 4,-3.0 1,-0.2 5,-0.2 -0.573 18.5 172.2 -98.5 68.3 28.1 0.8 -8.8 126 126 A W H > S+ 0 0 50 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.884 70.2 41.9 -44.1 -61.1 31.6 1.5 -7.6 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 115.1 51.9 -64.4 -35.9 33.1 3.5 -10.4 128 128 A E H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.877 110.1 47.9 -67.5 -41.9 30.0 5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-3.0 4,-4.3 1,-0.2 5,-0.2 0.921 106.9 56.5 -63.4 -43.1 29.8 6.5 -7.3 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.877 109.5 45.9 -57.5 -40.7 33.5 7.5 -7.1 131 131 A V H X S+ 0 0 100 -4,-1.4 4,-0.7 2,-0.2 3,-0.3 0.901 115.1 47.6 -70.7 -38.7 33.0 9.9 -9.9 132 132 A N H >< S+ 0 0 33 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.942 108.4 54.1 -66.4 -44.5 29.9 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-4.3 6,-0.4 1,-0.2 -1,-0.2 0.798 101.8 59.2 -58.5 -27.5 31.5 11.6 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-0.9 2,-1.7 -3,-0.3 -1,-0.2 0.675 85.0 82.4 -79.4 -14.9 34.3 13.7 -6.5 135 135 A K S << S+ 0 0 161 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.515 80.2 97.9 -83.4 65.6 31.8 16.4 -7.7 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.999 84.0-119.5-156.6 156.2 31.7 18.0 -4.3 137 137 A R H > S+ 0 0 156 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.866 114.3 62.9 -59.9 -39.2 32.9 20.8 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.948 105.6 43.4 -50.6 -53.3 34.3 18.1 0.1 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 113.6 50.2 -66.4 -39.7 36.6 16.8 -2.6 140 140 A N H < S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.828 114.3 45.1 -68.1 -26.5 37.7 20.3 -3.7 141 141 A Q H < S+ 0 0 91 -4,-2.3 -2,-0.2 -3,-0.2 -1,-0.2 0.861 131.4 16.9 -87.1 -37.0 38.6 21.4 -0.1 142 142 A T S X S+ 0 0 26 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 -0.524 73.4 162.8-135.6 70.2 40.4 18.3 1.1 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.882 70.0 53.2 -56.9 -45.3 41.3 16.4 -2.0 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.953 116.4 39.5 -62.6 -43.2 44.0 14.0 -0.6 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.961 115.0 52.3 -65.0 -52.1 41.8 12.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.942 108.8 52.9 -50.6 -47.8 38.7 12.6 -0.1 147 147 A K H X S+ 0 0 95 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.905 105.9 52.7 -55.9 -42.3 40.7 10.6 -2.6 148 148 A R H X S+ 0 0 54 -4,-1.6 4,-1.2 -3,-0.4 -1,-0.2 0.926 113.2 42.4 -62.5 -44.0 41.7 8.0 -0.0 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.887 112.9 54.6 -66.8 -38.9 38.1 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.945 108.3 46.3 -61.4 -46.8 36.9 7.4 -2.5 151 151 A T H X S+ 0 0 34 -4,-2.4 4,-3.0 -5,-0.2 6,-0.4 0.815 109.3 59.3 -65.3 -30.6 39.4 4.7 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.946 108.3 41.0 -64.5 -49.8 38.3 2.8 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.874 116.8 53.9 -65.3 -31.8 34.7 2.8 -1.7 154 154 A R H < S+ 0 0 102 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.942 122.6 22.0 -64.9 -49.7 35.9 2.0 -5.3 155 155 A T H < S- 0 0 43 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.499 85.7-135.9 -99.9 -14.6 38.0 -0.9 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.2 -5,-0.2 -62,-0.2 0.677 73.4 98.5 63.4 15.9 36.8 -2.3 -1.3 157 157 A T S S- 0 0 43 -6,-0.4 3,-0.3 -5,-0.2 -2,-0.2 -0.802 81.4-115.4-125.7 176.3 40.5 -2.8 -0.0 158 158 A W S >> S+ 0 0 43 -2,-0.2 3,-2.4 1,-0.2 4,-0.7 0.094 72.4 123.8 -92.4 16.1 42.8 -0.6 2.3 159 159 A D G >4 + 0 0 93 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.825 65.2 58.1 -50.9 -36.0 45.3 0.1 -0.5 160 160 A A G 34 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.700 108.7 46.3 -71.6 -17.6 45.1 3.8 -0.2 161 161 A Y G X4 S+ 0 0 2 -3,-2.4 3,-1.3 -13,-0.1 2,-0.3 0.490 83.7 106.5-104.6 -1.3 46.2 3.6 3.3 162 162 A K T << S+ 0 0 111 -3,-0.9 0, 0.0 -4,-0.7 0, 0.0 -0.703 82.0 28.5 -81.9 139.6 49.1 1.3 3.0 163 163 A N T 3 0 0 169 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.276 360.0 360.0 95.9 -0.3 52.4 3.1 3.4 164 164 A L < 0 0 131 -3,-1.3 -2,-0.1 0, 0.0 -3,-0.0 0.457 360.0 360.0 -98.0 360.0 50.9 5.8 5.6