==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-NOV-97 253L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.KUROKI,B.SHOICHET,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) . 8897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 73.8 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.5 36.9 -23.5 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-3.1 95,-0.0 5,-0.2 -0.930 360.0 -84.8-147.8 178.3 34.8 -20.9 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.833 123.4 51.0 -59.5 -34.9 34.5 -17.2 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 113.3 43.4 -70.8 -44.7 37.0 -17.1 14.1 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.918 114.8 53.2 -65.6 -38.4 39.6 -19.0 12.2 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 3,-0.3 0.950 113.1 39.5 -62.4 -54.2 38.9 -17.0 9.2 7 7 A L H X>S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.829 109.5 61.6 -69.1 -26.0 39.3 -13.6 10.8 8 8 A R H X5S+ 0 0 97 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.911 106.7 45.9 -66.7 -33.8 42.2 -14.8 12.8 9 9 A I H <5S+ 0 0 53 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.925 116.3 45.5 -69.3 -44.8 44.0 -15.5 9.5 10 10 A D H <5S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.843 123.8 30.7 -67.8 -38.5 43.0 -12.0 8.1 11 11 A E H <5S- 0 0 42 -4,-2.7 19,-0.4 1,-0.1 -1,-0.2 0.722 93.2-153.8 -94.9 -29.5 43.8 -9.9 11.1 12 12 A G << - 0 0 22 -4,-1.3 2,-0.4 -5,-0.5 -1,-0.1 -0.257 25.1 -81.1 79.6-173.8 46.7 -11.8 12.7 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.971 44.6 172.4-135.2 117.9 47.5 -11.7 16.4 14 14 A R E -A 28 0A 133 14,-1.7 14,-3.2 -2,-0.4 4,-0.1 -0.997 18.4-165.9-130.5 124.9 49.6 -8.8 18.1 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.462 74.1 61.0 -86.6 -6.8 50.1 -8.5 21.8 16 16 A K E S-C 57 0B 111 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.844 99.1 -90.7-118.9 155.3 51.4 -4.9 21.7 17 17 A I E + 0 0 26 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.360 57.1 170.9 -57.1 146.0 49.7 -1.8 20.4 18 18 A Y E -A 26 0A 28 8,-2.2 8,-2.7 -4,-0.1 2,-0.6 -0.952 38.4-102.9-153.8 165.4 50.5 -1.4 16.8 19 19 A K E -A 25 0A 136 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.836 36.3-146.3 -97.0 124.4 49.4 0.8 13.8 20 20 A A > - 0 0 29 4,-2.8 3,-2.0 -2,-0.6 -1,-0.0 -0.183 42.9 -78.3 -76.4-176.8 47.2 -1.1 11.5 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.717 132.0 52.0 -61.8 -19.6 47.3 -0.5 7.8 22 22 A E T 3 S- 0 0 113 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.314 122.0-103.5 -95.0 4.5 45.3 2.9 8.0 23 23 A G S < S+ 0 0 35 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.456 78.3 136.9 85.5 10.4 47.7 4.2 10.7 24 24 A Y - 0 0 80 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.647 61.2-100.9 -90.8 146.2 45.2 3.6 13.6 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-3.3 11,-0.3 9,-1.3 -0.408 52.8 158.2 -67.1 129.1 46.1 2.1 16.9 26 26 A T E -AB 18 32A 7 -8,-2.7 -8,-2.2 6,-0.3 2,-0.3 -0.917 16.4-176.6-141.6 169.7 45.1 -1.5 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 -12,-0.2 -0.985 50.9 11.9-160.4 170.8 45.9 -4.5 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-3.2 -14,-1.7 -2,-0.3 2,-0.9 -0.418 122.1 -9.3 64.7-130.4 45.1 -8.2 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.700 127.2 -50.6-103.4 78.2 43.1 -9.7 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.749 85.6 160.1 67.0 22.8 42.2 -6.6 14.7 31 31 A H E < -B 27 0A 31 -4,-1.9 -4,-1.5 -20,-0.1 -1,-0.2 -0.638 33.2-143.2 -83.5 104.1 40.8 -4.8 17.7 32 32 A L E -B 26 0A 81 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.405 20.1-178.2 -65.4 130.4 40.7 -1.1 16.8 33 33 A L E - 0 0 16 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.888 58.6 -23.5 -93.2 -53.2 41.6 1.1 19.7 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.8 2,-0.1 -1,-0.4 -0.990 34.2-141.9-157.9 154.7 41.3 4.6 18.4 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.653 75.6 109.6 -90.5 -20.2 41.5 6.6 15.2 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.3 2,-0.1 6,-0.2 -0.215 75.1-131.2 -59.1 132.8 43.3 9.3 17.2 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.579 75.8 105.8 -63.6 -6.8 47.0 9.9 16.6 38 38 A S > - 0 0 47 1,-0.2 4,-2.3 2,-0.0 5,-0.1 -0.647 55.3-161.4 -90.7 131.8 47.7 9.8 20.3 39 39 A L H > S+ 0 0 67 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.841 98.5 54.8 -68.9 -31.7 49.4 6.8 21.9 40 40 A N H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 104.7 51.6 -67.2 -44.4 48.2 8.0 25.1 41 41 A A H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 112.6 46.9 -54.8 -46.5 44.7 8.0 23.8 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.890 110.8 50.5 -64.7 -41.7 45.2 4.4 22.6 43 43 A K H X S+ 0 0 67 -4,-2.9 4,-2.3 2,-0.2 11,-0.3 0.904 111.3 49.6 -61.5 -41.6 46.7 3.3 25.9 44 44 A S H X S+ 0 0 75 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 112.3 47.3 -60.9 -49.4 43.8 4.8 27.8 45 45 A E H X S+ 0 0 61 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.940 110.5 53.8 -62.6 -44.1 41.3 3.1 25.5 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.940 109.3 45.6 -56.3 -47.9 43.2 -0.1 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.3 4,-2.6 1,-0.2 5,-1.3 0.925 112.5 52.2 -65.8 -36.7 43.1 -0.0 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.927 111.5 46.8 -61.2 -47.6 39.4 0.9 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.873 121.2 36.5 -63.3 -40.0 38.7 -2.1 27.4 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.729 102.4-124.7 -88.0 -27.6 40.7 -4.6 29.5 51 51 A G T <5S+ 0 0 65 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.845 76.0 69.1 86.9 29.3 39.9 -3.3 32.9 52 52 A R S - 0 0 8 -2,-1.0 3,-1.0 -11,-0.3 -1,-0.2 0.755 34.7-142.3 -93.0 -29.9 48.2 -2.6 30.7 55 55 A N T 3 S- 0 0 125 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.952 73.4 -60.5 59.0 48.3 51.0 -0.4 29.6 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.527 117.4 103.7 54.6 19.8 50.1 -1.2 26.0 57 57 A V B < +C 16 0B 56 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.982 44.1 178.6-129.9 135.9 50.6 -4.9 26.4 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.847 25.7-110.4-130.1 171.0 48.0 -7.7 26.7 59 59 A T > - 0 0 66 -2,-0.3 4,-2.8 1,-0.1 3,-0.2 -0.540 31.4-108.6 -94.8 167.6 47.9 -11.4 27.1 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 120.4 52.2 -56.9 -46.0 46.7 -13.9 24.6 61 61 A D H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 109.6 49.0 -58.1 -40.4 43.7 -14.7 26.7 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.917 108.2 55.1 -69.4 -42.2 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -34,-0.4 0.939 110.7 46.1 -54.5 -49.2 43.3 -10.7 23.0 64 64 A E H X S+ 0 0 80 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.804 106.4 55.9 -66.2 -32.6 40.8 -13.5 22.5 65 65 A K H X S+ 0 0 142 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.952 110.1 46.7 -68.9 -40.9 38.3 -12.1 24.9 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.895 111.1 53.7 -61.8 -38.9 38.2 -8.9 22.9 67 67 A F H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.920 107.3 50.2 -59.4 -47.7 38.0 -11.0 19.7 68 68 A N H X S+ 0 0 91 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.894 111.7 47.8 -59.1 -42.5 34.9 -12.8 21.0 69 69 A Q H X S+ 0 0 103 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.859 112.2 50.0 -67.3 -36.4 33.2 -9.6 21.9 70 70 A D H X S+ 0 0 35 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.893 110.0 48.9 -71.8 -35.1 34.0 -8.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.954 113.2 48.5 -67.4 -46.4 32.7 -11.0 16.6 72 72 A D H X S+ 0 0 101 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.939 110.1 50.4 -57.2 -45.3 29.6 -11.0 18.6 73 73 A A H X S+ 0 0 58 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.870 108.6 53.1 -62.2 -34.3 29.2 -7.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.965 110.5 46.5 -66.7 -49.3 29.6 -7.7 14.3 75 75 A V H X S+ 0 0 32 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 113.3 48.3 -60.5 -42.8 27.0 -10.3 14.1 76 76 A R H X S+ 0 0 130 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.901 109.3 53.9 -65.3 -38.1 24.5 -8.3 16.2 77 77 A G H X S+ 0 0 12 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.849 109.1 48.5 -61.8 -39.0 25.2 -5.1 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.5 -5,-0.2 7,-0.4 0.948 109.9 53.1 -64.5 -45.8 24.3 -7.0 11.0 79 79 A L H 3< S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.750 113.5 41.9 -66.8 -21.6 21.1 -8.4 12.6 80 80 A R H 3< S+ 0 0 182 -4,-1.3 2,-0.5 -5,-0.2 -1,-0.2 0.614 91.6 98.9 -98.2 -13.3 19.9 -5.0 13.6 81 81 A N S+ 0 0 141 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.819 119.1 40.3 -87.6 -33.4 20.0 -3.0 5.1 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-3.0 -6,-0.2 5,-0.3 0.848 101.3 67.7 -85.7 -37.1 22.3 -5.9 6.1 85 85 A K H X S+ 0 0 84 -4,-2.7 4,-3.1 -7,-0.4 5,-0.2 0.905 98.5 49.3 -52.8 -48.1 19.9 -8.3 7.8 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.878 113.4 47.9 -63.8 -34.9 18.0 -9.2 4.7 87 87 A V H >X S+ 0 0 1 -4,-0.5 4,-1.0 -3,-0.2 3,-0.9 0.974 112.9 48.2 -67.2 -51.7 21.2 -10.0 2.8 88 88 A Y H >< S+ 0 0 34 -4,-3.0 3,-0.9 1,-0.3 -1,-0.2 0.914 108.9 54.0 -52.8 -46.1 22.6 -12.0 5.7 89 89 A D H 3< S+ 0 0 73 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.795 106.7 52.0 -64.3 -24.6 19.4 -13.9 6.0 90 90 A S H << S+ 0 0 41 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.628 95.0 89.6 -87.1 -10.7 19.5 -14.9 2.3 91 91 A L S << S- 0 0 8 -4,-1.0 2,-0.0 -3,-0.9 31,-0.0 -0.445 75.2-115.5 -86.9 161.4 23.0 -16.3 2.3 92 92 A D > - 0 0 57 -2,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.273 45.0 -91.3 -80.3 172.9 24.4 -19.7 3.0 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.845 121.8 49.2 -61.0 -34.6 26.6 -20.4 5.9 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.1 62,-0.2 -1,-0.2 0.925 112.2 46.1 -71.3 -43.5 29.9 -19.7 4.2 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.760 104.8 60.8 -74.3 -22.2 28.9 -16.5 2.6 96 96 A R H X S+ 0 0 80 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.907 101.8 55.5 -65.8 -37.0 27.4 -15.2 5.8 97 97 A A H X S+ 0 0 7 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.876 104.7 52.4 -61.1 -37.8 30.9 -15.6 7.3 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.852 109.7 49.0 -70.4 -30.7 32.3 -13.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.952 109.2 52.1 -73.3 -40.6 29.7 -10.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.931 106.8 54.6 -58.6 -41.4 30.7 -10.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.932 108.8 46.8 -55.5 -49.4 34.4 -10.4 8.0 102 102 A M H X S+ 0 0 3 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.912 112.9 50.0 -63.0 -39.4 33.7 -7.2 6.0 103 103 A V H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.935 109.0 52.0 -66.0 -38.4 31.6 -5.9 8.9 104 104 A F H < S+ 0 0 33 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.950 116.1 41.4 -62.4 -43.8 34.3 -6.7 11.3 105 105 A Q H < S+ 0 0 62 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 132.1 15.8 -73.1 -42.1 36.7 -4.8 9.3 106 106 A M H X S- 0 0 56 -4,-3.0 4,-0.7 -5,-0.2 -3,-0.2 0.478 102.4-113.6-120.1 1.2 34.8 -1.8 8.2 107 107 A G H X - 0 0 29 -4,-2.7 4,-1.9 -5,-0.3 5,-0.1 0.134 34.7 -77.2 84.0 158.2 31.9 -1.5 10.4 108 108 A E H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.808 128.2 53.2 -56.4 -44.8 28.2 -1.8 9.7 109 109 A T H > S+ 0 0 125 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.918 107.6 49.4 -63.0 -49.9 28.0 1.6 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.5 1,-0.2 -2,-0.2 0.935 115.3 43.8 -58.2 -48.0 30.8 1.0 5.7 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.888 105.1 60.2 -67.2 -41.7 29.3 -2.2 4.5 112 112 A A H 3< S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.726 96.5 65.7 -63.9 -14.7 25.8 -1.0 4.3 113 113 A G T << S+ 0 0 53 -4,-0.8 2,-1.7 -3,-0.5 3,-0.3 0.643 73.8 88.3 -82.0 -7.5 27.0 1.5 1.8 114 114 A F <> + 0 0 42 -3,-2.2 4,-2.4 1,-0.2 5,-0.3 -0.297 57.3 160.5 -81.6 52.4 28.0 -1.2 -0.8 115 115 A T H > + 0 0 80 -2,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.823 64.6 43.7 -44.5 -51.3 24.4 -0.8 -2.0 116 116 A N H > S+ 0 0 79 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.914 113.9 48.7 -68.2 -45.7 24.9 -2.4 -5.4 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.861 108.9 54.9 -63.3 -35.9 27.0 -5.3 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.935 107.8 49.6 -61.7 -45.1 24.5 -6.1 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.916 110.5 49.4 -63.1 -39.7 21.7 -6.3 -4.0 120 120 A M H <>S+ 0 0 27 -4,-2.0 5,-2.8 2,-0.2 -1,-0.2 0.883 111.4 49.4 -68.2 -36.6 23.7 -8.6 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-2.1 2,-0.2 -2,-0.2 0.927 110.0 50.9 -66.7 -43.8 24.5 -10.8 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.917 111.2 49.2 -60.8 -33.2 20.9 -10.9 -2.4 123 123 A Q T 3<5S- 0 0 99 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.473 113.9-120.5 -86.5 4.2 20.1 -11.8 -5.9 124 124 A K T < 5 + 0 0 103 -3,-2.1 2,-1.3 1,-0.2 -3,-0.2 0.762 61.8 147.2 62.4 33.5 22.7 -14.6 -5.9 125 125 A R >< + 0 0 111 -5,-2.8 4,-2.7 1,-0.2 5,-0.2 -0.606 19.2 172.8 -98.1 73.1 24.7 -13.0 -8.8 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.867 68.9 44.6 -50.5 -55.1 28.0 -14.2 -7.5 127 127 A D H > S+ 0 0 95 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.907 114.8 48.7 -65.3 -38.0 30.2 -13.2 -10.4 128 128 A E H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 110.9 48.5 -71.0 -39.8 28.8 -9.9 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.6 2,-0.2 5,-0.2 0.915 108.2 56.3 -64.4 -38.0 29.0 -9.0 -7.1 130 130 A A H X S+ 0 0 3 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.905 110.3 44.9 -59.5 -41.3 32.6 -10.1 -7.0 131 131 A V H X S+ 0 0 77 -4,-1.8 4,-0.7 1,-0.2 3,-0.3 0.910 114.3 49.1 -68.6 -42.5 33.4 -7.7 -9.8 132 132 A N H >< S+ 0 0 37 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.925 107.3 54.2 -64.0 -42.2 31.4 -4.9 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.6 6,-0.4 1,-0.2 -1,-0.2 0.832 100.0 62.6 -61.0 -29.1 33.1 -5.4 -4.8 134 134 A A H 3< S+ 0 0 25 -4,-1.0 2,-1.7 -3,-0.3 -1,-0.2 0.715 85.5 78.3 -71.2 -19.7 36.5 -5.1 -6.5 135 135 A K S << S+ 0 0 161 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.482 80.5 96.7 -88.9 64.7 35.7 -1.5 -7.5 136 136 A S S > S- 0 0 19 -2,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.991 83.7-117.8-151.9 156.0 36.3 -0.1 -4.0 137 137 A R H > S+ 0 0 169 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.899 114.9 64.6 -58.5 -37.1 38.9 1.6 -2.0 138 138 A W H > S+ 0 0 17 1,-0.3 4,-2.3 2,-0.2 8,-0.2 0.943 104.6 41.5 -51.4 -52.9 38.7 -1.4 0.2 139 139 A Y H 4 S+ 0 0 52 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.864 114.6 51.1 -68.6 -36.9 40.0 -3.6 -2.5 140 140 A N H < S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.873 114.6 43.5 -69.5 -33.1 42.7 -1.2 -3.6 141 141 A Q H < S+ 0 0 92 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.901 130.7 19.6 -80.5 -40.6 44.0 -0.7 -0.1 142 142 A T S X S+ 0 0 25 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 -0.617 73.5 162.9-127.7 74.5 44.0 -4.3 1.1 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.848 70.1 50.1 -63.8 -41.3 43.9 -6.4 -2.0 144 144 A N H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.943 116.5 41.4 -69.7 -41.2 45.0 -9.7 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.962 114.7 51.0 -64.3 -49.4 42.5 -9.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.898 108.7 54.6 -53.3 -41.4 39.7 -8.3 -0.1 147 147 A K H X S+ 0 0 94 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.879 105.0 51.4 -63.5 -35.0 40.5 -11.0 -2.6 148 148 A R H X S+ 0 0 52 -4,-1.5 4,-1.4 -3,-0.5 -1,-0.2 0.932 114.1 44.2 -67.7 -41.4 40.1 -13.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 112.7 50.8 -67.4 -45.0 36.7 -12.4 1.0 150 150 A I H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.912 109.2 51.4 -57.4 -45.6 35.5 -11.8 -2.6 151 151 A T H X S+ 0 0 53 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.846 106.5 55.5 -59.8 -36.3 36.4 -15.4 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.928 110.6 43.8 -62.5 -47.8 34.5 -16.6 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.3 49.7 -64.7 -37.2 31.4 -14.8 -1.8 154 154 A R H < S+ 0 0 90 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.909 125.4 23.4 -69.4 -42.7 32.0 -15.9 -5.3 155 155 A T H < S- 0 0 61 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.678 85.8-138.4 -99.3 -26.5 32.5 -19.6 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.7 2,-0.3 -5,-0.4 -62,-0.2 0.690 71.6 99.6 71.0 19.4 30.8 -20.1 -1.5 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.800 81.7-117.4-124.3 174.3 33.6 -22.4 -0.3 158 158 A W S >> S+ 0 0 36 -2,-0.3 3,-1.8 1,-0.2 4,-1.1 0.058 72.5 123.2 -96.5 22.6 36.6 -21.8 2.0 159 159 A D T 34 + 0 0 89 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.865 65.7 61.4 -54.7 -33.2 39.1 -22.5 -0.8 160 160 A A T 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.665 112.0 38.8 -67.1 -15.6 40.8 -19.0 -0.4 161 161 A Y T X4 S+ 0 0 2 -3,-1.8 3,-0.8 -13,-0.1 2,-0.6 0.546 85.7 100.8-111.0 -16.2 41.7 -19.9 3.2 162 162 A K T 3< S+ 0 0 103 -4,-1.1 0, 0.0 -3,-0.4 0, 0.0 -0.777 90.1 31.7 -80.4 121.0 42.7 -23.6 3.0 163 163 A N T 3 0 0 171 -2,-0.6 -1,-0.2 0, 0.0 -2,-0.1 -0.391 360.0 360.0 126.4 -39.9 46.5 -23.4 3.0 164 164 A L < 0 0 135 -3,-0.8 -2,-0.1 -4,-0.1 -3,-0.0 0.542 360.0 360.0 -59.9 360.0 46.8 -20.2 5.1