==== 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 254L . 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) . 8899.0 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 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 155.3 36.8 -23.3 9.1 2 2 A N > - 0 0 70 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.906 360.0 -85.2-151.4 174.7 34.6 -20.8 10.9 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.854 124.5 52.7 -56.0 -37.9 34.3 -17.0 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.953 112.8 40.9 -64.9 -52.1 36.7 -17.0 14.2 5 5 A E H > S+ 0 0 96 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.863 115.2 54.9 -64.8 -35.5 39.4 -18.9 12.4 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.949 112.5 38.8 -64.2 -54.7 38.7 -16.9 9.3 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 5,-0.4 0.838 109.8 61.1 -68.1 -26.2 39.1 -13.5 10.8 8 8 A R H X S+ 0 0 96 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.895 107.9 46.4 -67.9 -29.7 42.0 -14.7 12.9 9 9 A I H < S+ 0 0 51 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.913 114.7 46.5 -73.2 -43.6 43.8 -15.4 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.859 125.2 28.5 -67.4 -34.7 42.8 -12.0 8.1 11 11 A E H < S- 0 0 46 -4,-2.7 19,-0.3 1,-0.2 -3,-0.2 0.704 92.2-152.8-101.0 -23.1 43.7 -9.9 11.2 12 12 A G < - 0 0 24 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.2 -0.246 25.7 -82.6 74.1-170.5 46.5 -11.8 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.948 44.3 170.3-141.2 118.4 47.3 -11.6 16.5 14 14 A R E -A 28 0A 144 14,-1.5 14,-2.7 -2,-0.4 4,-0.1 -1.000 19.8-163.0-132.3 127.9 49.4 -8.8 18.2 15 15 A L E S+ 0 0 59 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.468 74.6 60.4 -89.4 -6.0 49.8 -8.4 21.9 16 16 A K E S-C 57 0B 128 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.882 101.1 -86.9-116.8 155.8 51.2 -4.8 21.9 17 17 A I E + 0 0 30 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.311 57.4 172.2 -57.9 142.5 49.5 -1.7 20.4 18 18 A Y E -A 26 0A 27 8,-2.5 8,-2.8 6,-0.1 2,-0.5 -0.884 35.7 -99.4-143.7 168.6 50.2 -1.4 16.7 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.829 35.5-137.5 -97.4 128.7 49.1 0.6 13.8 20 20 A S > - 0 0 31 4,-3.1 3,-2.3 -2,-0.5 -1,-0.0 -0.149 40.0 -85.6 -70.0-178.9 46.6 -0.9 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.780 134.2 51.4 -60.9 -24.2 46.8 -0.7 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.385 123.2-106.4 -93.2 4.6 45.0 2.7 7.9 23 23 A G S < S+ 0 0 37 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.593 74.8 137.2 80.4 19.1 47.5 3.9 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-3.1 9,-0.0 -1,-0.3 -0.789 62.0-101.5-100.2 143.7 45.1 3.6 13.6 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-2.8 11,-0.4 9,-1.3 -0.389 54.5 158.6 -62.2 129.9 46.1 2.2 16.9 26 26 A T E -AB 18 32A 6 -8,-2.8 -8,-2.5 6,-0.3 2,-0.3 -0.907 19.4-165.3-144.9 167.6 44.9 -1.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.1 -2,-0.3 2,-0.2 -0.986 50.8 1.8-154.8 164.9 45.6 -4.4 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.5 -2,-0.3 2,-0.9 -0.428 123.4 -3.5 67.2-127.0 45.0 -8.2 19.6 29 29 A I T 4 S- 0 0 4 34,-0.3 -1,-0.2 -16,-0.2 -17,-0.1 -0.664 127.6 -55.6-103.4 73.3 42.9 -9.5 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.730 83.1 160.4 64.2 27.3 42.1 -6.4 14.8 31 31 A H E < -B 27 0A 33 -4,-2.1 -4,-1.8 1,-0.0 -1,-0.2 -0.664 33.8-141.6 -82.7 103.1 40.5 -4.6 17.8 32 32 A L E -B 26 0A 78 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.400 19.3-175.1 -65.2 130.3 40.6 -0.9 16.9 33 33 A L E - 0 0 14 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.891 58.4 -30.3 -92.0 -49.8 41.4 1.3 19.8 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.962 35.2-133.2-167.2 154.8 41.0 4.8 18.4 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.519 74.4 112.4 -87.9 -12.2 41.3 6.8 15.3 36 36 A S S S- 0 0 37 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.333 72.4-131.2 -69.5 147.5 43.2 9.5 17.2 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.404 77.3 102.6 -73.6 -3.6 46.8 10.1 16.5 38 38 A S > - 0 0 49 1,-0.1 4,-1.4 -13,-0.0 -2,-0.1 -0.834 57.1-159.4 -98.3 125.7 47.7 10.0 20.2 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.807 97.5 54.4 -63.8 -35.4 49.3 6.9 21.8 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.928 104.4 53.0 -65.6 -45.6 48.1 8.0 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 112.0 47.6 -55.5 -36.5 44.6 8.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.883 109.8 50.6 -74.6 -39.3 45.0 4.7 22.7 43 43 A K H X S+ 0 0 62 -4,-2.6 4,-2.2 2,-0.2 11,-0.3 0.899 111.1 50.7 -67.6 -32.3 46.5 3.4 26.0 44 44 A S H X S+ 0 0 74 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.940 111.1 46.4 -66.9 -48.7 43.6 5.0 27.8 45 45 A E H X S+ 0 0 74 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.918 111.6 54.6 -61.0 -42.8 41.1 3.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.934 108.7 45.3 -57.7 -48.2 43.0 0.1 26.0 47 47 A D H X>S+ 0 0 32 -4,-2.2 4,-2.8 1,-0.2 5,-1.5 0.905 112.5 52.2 -63.9 -38.1 42.9 0.1 29.8 48 48 A K H <5S+ 0 0 136 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.861 111.3 47.0 -64.4 -38.9 39.2 1.0 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.879 120.9 37.3 -71.3 -37.3 38.5 -1.9 27.4 50 50 A I H <5S- 0 0 33 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.786 103.1-127.9 -85.7 -30.2 40.6 -4.4 29.5 51 51 A G T <5S+ 0 0 65 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.799 76.8 72.0 84.3 31.0 39.6 -3.0 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-0.8 -11,-0.3 -1,-0.2 0.774 32.5-143.7 -87.6 -33.5 47.9 -2.4 30.7 55 55 A N T 3 S- 0 0 126 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.874 72.9 -60.3 64.9 35.5 50.7 -0.3 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.531 117.8 100.6 70.1 13.0 49.9 -1.1 26.1 57 57 A V B < +C 16 0B 53 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.997 45.4 177.3-129.5 130.5 50.4 -4.9 26.5 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.785 26.6-112.5-126.8 168.1 47.7 -7.5 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.506 32.1-104.1 -93.9 174.1 47.7 -11.3 27.2 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 120.7 52.1 -65.8 -43.3 46.4 -13.9 24.8 61 61 A D H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.862 109.2 50.4 -60.5 -38.4 43.3 -14.6 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 109.8 51.0 -68.9 -42.5 42.5 -10.8 26.9 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -34,-0.3 0.923 110.7 49.5 -58.3 -44.1 42.9 -10.6 23.1 64 64 A E H X S+ 0 0 81 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.849 107.7 53.4 -66.4 -30.8 40.6 -13.5 22.7 65 65 A K H X S+ 0 0 140 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.945 110.0 47.2 -71.0 -42.2 38.1 -11.9 25.0 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.899 111.9 53.3 -62.3 -39.7 38.1 -8.7 22.9 67 67 A F H X S+ 0 0 12 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.950 107.2 48.8 -62.9 -51.3 37.8 -10.8 19.8 68 68 A N H X S+ 0 0 92 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.932 112.9 48.7 -54.6 -43.2 34.7 -12.7 21.1 69 69 A Q H X S+ 0 0 100 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 111.3 50.2 -64.9 -38.2 33.1 -9.4 22.0 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.894 109.3 49.3 -70.3 -34.7 33.9 -7.9 18.6 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.952 112.2 49.5 -65.8 -47.5 32.5 -10.9 16.6 72 72 A D H X S+ 0 0 101 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.934 109.5 49.7 -54.4 -50.2 29.4 -10.8 18.6 73 73 A A H X S+ 0 0 62 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.865 109.0 54.6 -59.6 -36.2 28.9 -7.0 18.1 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.970 109.5 46.1 -62.4 -51.5 29.4 -7.5 14.4 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.927 115.2 47.2 -56.5 -46.5 26.7 -10.1 14.1 76 76 A R H X S+ 0 0 127 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.896 108.7 53.9 -66.7 -36.9 24.3 -8.0 16.2 77 77 A G H X S+ 0 0 13 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.886 110.3 48.2 -63.8 -39.1 25.1 -4.8 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 -5,-0.2 7,-0.5 0.969 111.0 50.3 -61.5 -48.8 24.2 -6.8 11.0 79 79 A L H 3< S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.755 112.3 46.4 -64.8 -25.8 20.9 -8.1 12.5 80 80 A R H 3< S+ 0 0 196 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.538 92.7 96.2 -92.0 -12.9 19.8 -4.7 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.825 101.5 68.6 -88.8 -40.6 22.1 -5.7 6.1 85 85 A K H X S+ 0 0 78 -4,-3.2 4,-2.9 -7,-0.5 5,-0.2 0.896 98.4 49.1 -49.5 -49.2 19.7 -8.0 7.8 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.887 112.6 49.4 -62.4 -38.0 17.8 -9.1 4.8 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-1.0 -3,-0.3 3,-0.5 0.961 111.9 47.9 -61.0 -53.6 21.1 -9.9 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.912 109.7 52.5 -53.2 -49.8 22.4 -11.9 5.8 89 89 A D H 3< S+ 0 0 74 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.808 106.8 54.7 -63.0 -28.0 19.2 -13.8 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.674 96.3 84.2 -80.6 -13.9 19.2 -14.7 2.5 91 91 A L S << S- 0 0 7 -3,-1.0 2,-0.0 -4,-1.0 31,-0.0 -0.477 76.4-113.3 -89.7 167.9 22.7 -16.2 2.4 92 92 A D > - 0 0 54 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.208 44.5 -92.2 -81.9 172.7 24.1 -19.7 3.3 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.874 122.1 48.2 -60.9 -41.4 26.5 -20.2 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.5 1,-0.2 3,-0.3 0.942 112.8 46.6 -65.4 -50.2 29.7 -19.7 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 106.3 59.4 -64.5 -30.7 28.7 -16.5 2.7 96 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.912 102.3 54.6 -62.0 -35.2 27.3 -15.1 6.0 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.918 104.7 54.1 -65.0 -36.3 30.8 -15.5 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.898 108.8 48.0 -66.4 -35.2 32.0 -13.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.888 109.4 52.9 -70.5 -38.3 29.5 -10.5 5.3 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.954 106.1 54.8 -62.7 -44.5 30.6 -10.7 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.936 109.2 46.6 -53.4 -48.3 34.2 -10.3 7.9 102 102 A M H X S+ 0 0 3 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.927 112.4 49.8 -62.3 -41.2 33.5 -7.1 6.0 103 103 A V H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.936 110.1 50.9 -65.2 -38.6 31.4 -5.7 8.8 104 104 A F H < S+ 0 0 34 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.951 116.2 42.0 -63.1 -41.2 34.2 -6.4 11.3 105 105 A Q H < S+ 0 0 59 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.903 132.2 16.3 -72.0 -44.2 36.7 -4.7 9.1 106 106 A M H X S- 0 0 53 -4,-2.9 4,-0.6 -5,-0.3 -3,-0.2 0.563 103.4-107.7-119.2 1.4 34.8 -1.7 8.0 107 107 A G H X - 0 0 31 -4,-3.0 4,-2.2 -5,-0.3 5,-0.2 0.097 33.9 -85.3 88.8 148.4 31.8 -1.2 10.2 108 108 A E H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.846 126.8 53.4 -62.5 -36.5 28.1 -1.7 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.909 108.0 48.0 -68.9 -43.1 27.8 1.7 8.1 110 110 A G H >< S+ 0 0 36 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.925 114.1 47.3 -65.8 -44.0 30.6 1.2 5.5 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.891 104.7 59.1 -65.9 -36.7 29.2 -2.1 4.5 112 112 A A H 3< S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 95.4 68.0 -66.6 -14.7 25.6 -0.8 4.2 113 113 A G T << S+ 0 0 57 -4,-0.8 2,-1.1 -3,-0.6 -1,-0.3 0.526 74.6 84.9 -79.1 -6.6 27.0 1.6 1.6 114 114 A F <> + 0 0 40 -3,-2.0 4,-2.7 1,-0.2 5,-0.3 -0.351 56.7 158.2 -90.1 55.1 27.7 -1.2 -1.0 115 115 A T H > + 0 0 85 -2,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.841 65.1 45.8 -47.5 -50.7 24.2 -0.9 -2.1 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.902 114.3 47.2 -64.6 -45.0 24.6 -2.4 -5.5 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 110.0 54.9 -66.2 -37.0 26.8 -5.4 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.889 107.5 49.8 -60.4 -42.3 24.3 -6.1 -1.5 119 119 A R H X S+ 0 0 118 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.945 111.7 47.4 -63.5 -43.0 21.5 -6.3 -4.1 120 120 A M H <>S+ 0 0 29 -4,-2.0 5,-2.4 2,-0.2 4,-0.5 0.883 111.1 51.4 -67.0 -36.8 23.4 -8.7 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.945 109.9 49.5 -64.8 -45.5 24.3 -10.8 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.881 111.2 49.8 -59.1 -33.9 20.7 -10.9 -2.3 123 123 A Q T 3<5S- 0 0 97 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.517 112.5-122.8 -81.0 -5.8 19.8 -11.9 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.6 2,-1.2 -4,-0.5 -3,-0.2 0.783 60.9 148.1 64.8 35.2 22.5 -14.6 -5.7 125 125 A R >< + 0 0 111 -5,-2.4 4,-2.1 1,-0.2 -1,-0.2 -0.764 21.1 175.6 -94.7 78.2 24.3 -13.2 -8.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.892 69.5 44.0 -58.6 -52.1 27.7 -14.4 -7.5 127 127 A D H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 114.9 49.6 -63.4 -38.8 30.0 -13.5 -10.3 128 128 A E H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 110.5 49.7 -67.9 -38.5 28.4 -10.1 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.897 107.2 55.7 -63.2 -38.3 28.6 -9.2 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.897 110.1 45.2 -62.2 -40.1 32.3 -10.3 -7.1 131 131 A V H X S+ 0 0 91 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.925 114.0 48.7 -71.8 -45.0 33.1 -7.9 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.934 108.4 53.6 -60.2 -42.5 31.1 -5.1 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.866 101.6 60.9 -61.9 -32.3 32.7 -5.6 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.7 -5,-0.2 -1,-0.2 0.706 85.4 78.2 -69.1 -21.1 36.2 -5.3 -6.5 135 135 A K S << S+ 0 0 164 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.478 80.8 98.0 -88.5 69.5 35.5 -1.7 -7.6 136 136 A S S > S- 0 0 19 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.989 84.2-117.2-153.7 155.5 36.1 -0.2 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.877 115.8 62.8 -60.7 -38.9 38.7 1.5 -2.2 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.957 106.0 42.8 -48.2 -54.7 38.4 -1.5 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.2 47.6 -62.6 -43.3 39.6 -3.8 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.7 44.9 -70.1 -30.9 42.4 -1.4 -3.9 141 141 A Q H < S+ 0 0 111 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 131.7 17.4 -82.1 -40.5 43.7 -0.7 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.642 74.4 162.2-130.4 71.4 43.7 -4.3 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.850 68.7 52.7 -62.3 -38.9 43.6 -6.5 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.939 116.3 39.2 -67.9 -41.6 44.8 -9.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.937 114.9 53.1 -70.8 -46.5 42.3 -9.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.945 107.7 53.7 -53.2 -44.3 39.5 -8.4 -0.2 147 147 A K H X S+ 0 0 101 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.874 106.8 51.4 -57.7 -38.8 40.2 -11.2 -2.8 148 148 A R H X S+ 0 0 54 -4,-1.4 4,-1.3 -3,-0.2 12,-0.2 0.933 113.4 43.2 -66.6 -42.7 39.8 -13.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.910 114.2 50.4 -67.4 -42.0 36.4 -12.5 1.0 150 150 A I H X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.911 109.3 51.6 -62.8 -43.3 35.2 -11.9 -2.6 151 151 A T H X S+ 0 0 40 -4,-2.3 4,-2.6 -5,-0.2 6,-0.4 0.836 107.3 54.2 -61.8 -33.4 36.1 -15.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.899 109.9 45.0 -68.4 -43.2 34.2 -16.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.2 49.8 -67.8 -36.3 31.1 -14.8 -1.7 154 154 A R H < S+ 0 0 101 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.915 124.8 23.6 -68.7 -44.3 31.6 -16.1 -5.2 155 155 A T H < S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.578 86.0-137.3 -99.5 -17.0 32.1 -19.8 -4.5 156 156 A G S < S+ 0 0 15 -4,-2.5 2,-0.3 -5,-0.2 -62,-0.2 0.736 71.9 101.9 64.6 21.5 30.4 -20.2 -1.2 157 157 A T S S- 0 0 44 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.852 80.7-119.0-126.3 174.0 33.3 -22.4 -0.0 158 158 A W S >> S+ 0 0 40 -2,-0.3 3,-2.2 1,-0.2 4,-1.0 0.221 72.3 121.2 -95.3 18.6 36.3 -21.8 2.2 159 159 A D T 34 + 0 0 92 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.809 66.5 60.1 -51.7 -35.3 38.8 -22.5 -0.6 160 160 A A T 34 S+ 0 0 26 -3,-0.4 -1,-0.3 -12,-0.2 -2,-0.1 0.609 112.8 40.1 -66.6 -17.3 40.5 -19.0 -0.3 161 161 A Y T X4 S+ 0 0 1 -3,-2.2 3,-0.9 -13,-0.1 2,-0.4 0.542 86.5 101.8-109.0 -14.7 41.4 -19.8 3.3 162 162 A K T 3< S+ 0 0 106 -4,-1.0 0, 0.0 -3,-0.4 0, 0.0 -0.697 86.7 33.3 -76.0 123.9 42.4 -23.5 3.1 163 163 A N T 3 0 0 169 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.343 360.0 360.0 121.7 -40.5 46.2 -23.4 3.2 164 164 A L < 0 0 133 -3,-0.9 -2,-0.2 -4,-0.1 -3,-0.0 0.804 360.0 360.0 -64.4 360.0 46.6 -20.3 5.5