==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1C60 . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 8 4.9 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 . 86 53.1 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 0 3 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.9 43.5 -1.8 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.930 360.0 -76.7-158.1 177.8 40.2 -0.8 10.7 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.813 124.4 50.7 -52.6 -43.2 38.3 2.3 11.2 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.947 113.2 44.1 -66.5 -48.3 40.3 3.6 14.1 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.874 113.5 55.2 -63.6 -33.1 43.6 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.958 111.4 39.4 -65.7 -52.6 42.0 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.807 109.6 61.9 -68.6 -25.3 40.7 7.9 10.9 8 8 A R H X S+ 0 0 101 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.881 108.0 45.3 -68.3 -30.5 43.9 8.2 13.0 9 9 A I H < S+ 0 0 87 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.935 115.9 45.0 -73.6 -45.2 45.7 8.5 9.7 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.854 124.8 29.7 -66.8 -37.7 43.3 10.9 8.2 11 11 A E H < S- 0 0 47 -4,-2.8 19,-0.4 1,-0.2 -1,-0.2 0.651 91.9-153.9 -96.0 -24.8 43.0 13.3 11.3 12 12 A G < - 0 0 23 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.221 25.4 -85.1 76.2-171.2 46.4 12.9 12.9 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 42.5 174.6-139.0 118.6 46.9 13.5 16.7 14 14 A R E -A 28 0A 145 14,-2.0 14,-2.3 -2,-0.3 4,-0.1 -0.994 18.1-161.6-129.5 132.3 47.4 16.9 18.4 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.463 74.6 59.3 -89.2 -6.8 47.6 17.4 22.1 16 16 A K E S-C 57 0B 103 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.925 101.8 -82.0-123.0 151.8 47.0 21.1 22.0 17 17 A I E + 0 0 11 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.167 59.7 169.2 -49.4 133.1 44.1 23.1 20.7 18 18 A Y E -A 26 0A 24 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.875 35.3-106.0-141.8 172.5 44.4 23.6 16.9 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.892 32.2-139.9-105.7 132.9 42.5 24.9 13.9 20 20 A D > - 0 0 49 4,-2.9 3,-2.2 -2,-0.5 -1,-0.1 -0.025 42.2 -77.5 -79.6-171.5 41.2 22.4 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.725 134.8 49.1 -61.0 -21.1 41.1 22.7 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.336 123.1-103.4 -95.6 -1.0 38.0 25.0 8.0 23 23 A G S < S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.542 75.7 139.0 90.5 11.9 39.7 27.3 10.7 24 24 A Y - 0 0 76 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.767 60.2-103.5 -98.0 148.7 37.7 25.7 13.7 25 25 A Y E +AB 19 34A 39 9,-0.7 8,-2.9 11,-0.4 9,-1.4 -0.349 53.1 156.9 -70.3 129.3 39.1 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.926 20.3-163.6-143.9 166.2 39.7 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.1 -2,-0.3 2,-0.3 -0.984 52.4 3.5-151.5 161.4 41.9 19.0 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-2.0 -2,-0.3 2,-0.9 -0.502 123.2 -5.7 72.0-129.1 43.1 15.3 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -17,-0.1 -2,-0.3 -1,-0.1 -0.758 128.6 -53.9-102.0 70.5 42.1 13.1 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.790 82.7 161.4 67.0 29.5 39.9 15.5 14.9 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.6 1,-0.0 -1,-0.2 -0.698 32.2-144.0 -84.9 101.1 37.6 16.3 17.9 32 32 A L E -B 26 0A 70 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.370 20.0-177.4 -65.5 138.5 35.9 19.5 16.9 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.886 56.4 -19.6-103.1 -42.1 35.3 21.7 19.8 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.937 33.8-141.2-166.1 152.4 33.5 24.7 18.4 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.449 74.6 109.1 -91.1 -9.1 32.7 26.7 15.4 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.422 72.9-132.7 -73.1 146.8 33.1 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 0.419 76.0 105.7 -77.0 3.7 36.1 32.2 16.7 38 38 A S > - 0 0 45 1,-0.2 4,-2.2 2,-0.0 5,-0.1 -0.807 56.2-161.3 -95.8 125.1 36.7 32.5 20.4 39 39 A L H > S+ 0 0 53 -2,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.833 96.3 54.0 -68.6 -31.6 39.7 30.6 21.9 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 105.3 51.3 -69.9 -36.8 38.1 30.9 25.3 41 41 A A H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.959 110.4 49.8 -63.7 -44.9 35.0 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.890 110.3 51.2 -58.1 -40.3 37.0 26.6 22.7 43 43 A K H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 11,-0.3 0.916 108.4 50.7 -65.6 -37.7 38.7 26.2 26.0 44 44 A S H X S+ 0 0 74 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.953 111.0 48.6 -63.9 -49.6 35.5 26.1 27.9 45 45 A E H X S+ 0 0 69 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.915 110.1 52.6 -60.4 -39.6 34.1 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.938 109.6 47.0 -63.5 -44.2 37.4 21.4 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-2.3 1,-0.2 5,-1.1 0.901 111.7 51.1 -63.5 -38.3 37.2 21.5 29.8 48 48 A K H <5S+ 0 0 144 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.875 111.8 49.1 -63.7 -38.1 33.5 20.5 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.893 118.5 37.7 -69.9 -37.7 34.5 17.5 27.5 50 50 A I H <5S- 0 0 37 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.717 102.3-123.1 -87.5 -31.5 37.3 16.3 29.6 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.710 79.5 64.1 95.8 12.7 36.0 16.9 33.0 52 52 A R S - 0 0 6 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.733 32.6-143.3 -88.5 -23.1 42.9 21.6 30.9 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.759 73.8 -57.7 66.9 19.7 44.3 25.0 30.0 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.571 119.1 99.2 88.8 6.1 44.0 23.9 26.2 57 57 A V B < +C 16 0B 66 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.993 45.5 177.7-128.6 132.1 46.3 20.8 26.6 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.845 27.8-110.0-128.4 167.9 45.2 17.1 27.0 59 59 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.451 33.8-104.6 -92.9 169.1 47.0 13.8 27.3 60 60 A K H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 121.0 52.6 -55.5 -45.4 47.2 11.0 24.8 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 108.5 49.9 -60.1 -40.9 44.8 8.9 26.7 62 62 A E H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.923 109.7 51.1 -64.5 -42.8 42.3 11.7 26.9 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -34,-0.4 0.905 111.6 47.9 -59.7 -43.6 42.5 12.3 23.2 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.825 108.9 55.1 -66.1 -34.3 41.9 8.5 22.6 65 65 A K H X S+ 0 0 137 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.953 108.8 45.2 -66.7 -45.4 39.0 8.7 24.9 66 66 A L H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.868 112.2 53.8 -61.4 -37.3 37.3 11.4 23.0 67 67 A F H X S+ 0 0 14 -4,-1.8 4,-3.3 -5,-0.2 5,-0.3 0.932 106.0 52.5 -64.3 -42.0 38.1 9.6 19.7 68 68 A N H X S+ 0 0 85 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.950 111.2 46.6 -57.3 -45.8 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.893 112.8 50.3 -63.5 -42.1 33.3 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.880 110.3 47.7 -66.9 -37.6 33.4 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-3.3 4,-2.1 2,-0.2 5,-0.2 0.955 113.3 49.0 -66.6 -47.6 33.7 7.0 16.5 72 72 A D H X S+ 0 0 101 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.944 110.5 50.2 -54.1 -47.7 30.9 5.4 18.5 73 73 A A H X S+ 0 0 61 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.865 106.7 56.6 -62.7 -35.3 28.7 8.4 18.0 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.972 110.6 42.9 -61.8 -48.0 29.4 8.3 14.2 75 75 A V H X S+ 0 0 32 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.949 114.3 50.1 -61.4 -49.6 28.1 4.7 13.9 76 76 A R H X S+ 0 0 128 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.874 108.8 53.1 -61.5 -36.7 25.1 5.3 16.1 77 77 A G H X S+ 0 0 11 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.3 0.916 110.0 47.9 -65.6 -38.0 24.3 8.3 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 7,-0.4 0.959 111.5 50.2 -62.4 -47.9 24.4 6.2 10.9 79 79 A L H 3< S+ 0 0 65 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.827 110.6 48.6 -63.0 -30.9 22.3 3.6 12.4 80 80 A R H 3< S+ 0 0 197 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.583 93.5 95.1 -83.0 -10.6 19.6 6.1 13.6 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.4 -6,-0.2 3,-0.5 0.873 101.1 64.9 -84.0 -44.5 22.0 6.2 6.0 85 85 A K H X S+ 0 0 97 -4,-3.6 4,-3.0 -7,-0.4 5,-0.3 0.921 99.1 50.3 -49.9 -49.3 21.2 3.0 7.6 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.888 111.8 49.4 -64.1 -28.3 20.1 1.1 4.7 87 87 A V H > S+ 0 0 4 -3,-0.5 4,-0.7 -4,-0.5 -2,-0.2 0.964 112.4 47.6 -69.5 -46.7 23.2 2.0 2.7 88 88 A Y H >< S+ 0 0 29 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.900 109.0 52.8 -59.3 -46.7 25.4 1.0 5.5 89 89 A D H 3< S+ 0 0 77 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.832 106.6 55.5 -64.1 -27.7 23.6 -2.3 6.1 90 90 A S H 3< S+ 0 0 42 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.677 95.9 87.0 -78.9 -12.8 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.1 31,-0.0 -4,-0.7 2,-0.0 -0.539 76.2-115.6 -91.8 159.4 27.7 -2.7 2.4 92 92 A D > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.209 44.5 -92.3 -75.8 172.1 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 76 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.819 119.9 45.4 -60.1 -42.0 32.9 -4.1 6.1 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.4 62,-0.2 3,-0.5 0.953 113.7 49.1 -70.1 -46.5 35.6 -2.0 4.4 95 95 A R H > S+ 0 0 31 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.873 106.1 58.5 -60.2 -35.7 33.2 0.1 2.4 96 96 A R H X S+ 0 0 77 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.886 101.4 56.4 -59.3 -35.8 31.2 0.7 5.7 97 97 A A H X S+ 0 0 5 -4,-1.1 4,-2.3 -3,-0.5 -1,-0.2 0.876 102.2 55.5 -65.2 -33.9 34.4 2.1 7.1 98 98 A A H X S+ 0 0 3 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.909 108.1 48.1 -64.0 -39.7 34.4 4.6 4.3 99 99 A L H X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.902 109.5 51.9 -69.3 -34.8 31.0 5.7 5.2 100 100 A I H X S+ 0 0 10 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.935 107.7 52.9 -65.4 -40.6 31.9 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.955 109.1 49.2 -58.8 -49.4 34.9 8.3 8.0 102 102 A M H X S+ 0 0 8 -4,-2.1 4,-3.8 1,-0.2 5,-0.3 0.910 112.8 47.3 -54.7 -44.1 32.7 10.6 5.9 103 103 A V H X S+ 0 0 8 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.926 109.8 52.4 -68.4 -39.9 30.2 10.9 8.7 104 104 A F H < S+ 0 0 33 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.939 116.6 40.7 -60.3 -40.9 32.9 11.6 11.2 105 105 A Q H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.925 133.6 17.0 -73.9 -50.3 34.3 14.3 9.0 106 106 A M H X S- 0 0 54 -4,-3.8 4,-0.7 -5,-0.2 -3,-0.2 0.524 102.4-113.3-110.8 -1.0 31.1 15.9 7.9 107 107 A G H X - 0 0 31 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.245 34.1 -82.1 79.1 156.1 28.3 14.8 10.1 108 108 A E H > S+ 0 0 70 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.830 126.9 56.0 -57.4 -40.6 25.2 12.7 9.4 109 109 A T H > S+ 0 0 119 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.915 107.4 44.5 -60.6 -54.5 23.5 15.5 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.8 1,-0.2 4,-0.2 0.904 117.5 45.6 -60.7 -48.5 26.0 16.4 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.900 104.3 60.1 -64.9 -40.2 26.5 12.8 4.3 112 112 A A H 3< S+ 0 0 11 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.758 97.4 65.8 -59.7 -19.3 22.8 12.0 4.3 113 113 A G T << S+ 0 0 52 -4,-0.8 2,-2.1 -3,-0.8 3,-0.3 0.641 74.0 88.4 -77.0 -12.0 22.7 14.8 1.6 114 114 A F <> + 0 0 43 -3,-2.0 4,-2.4 1,-0.2 3,-0.3 -0.291 55.6 161.3 -83.4 56.4 24.8 12.8 -1.0 115 115 A T H > + 0 0 84 -2,-2.1 4,-1.8 1,-0.3 -1,-0.2 0.859 64.8 44.6 -45.7 -54.4 21.6 11.4 -2.3 116 116 A N H > S+ 0 0 99 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.878 113.0 49.0 -63.1 -41.0 22.9 10.2 -5.6 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.881 109.3 55.0 -65.6 -38.9 26.1 8.7 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.887 108.0 47.8 -59.4 -46.2 24.3 6.8 -1.6 119 119 A R H X S+ 0 0 153 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.943 112.6 48.5 -64.5 -43.5 21.9 5.2 -4.1 120 120 A M H X>S+ 0 0 38 -4,-2.2 5,-2.3 1,-0.2 4,-0.5 0.925 112.3 49.3 -64.9 -39.7 24.8 4.2 -6.4 121 121 A L H ><5S+ 0 0 9 -4,-2.6 3,-1.5 2,-0.2 -1,-0.2 0.942 109.7 51.0 -62.1 -45.1 26.6 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.915 111.6 48.6 -59.8 -34.4 23.5 0.9 -2.4 123 123 A Q H 3<5S- 0 0 79 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.521 113.7-118.8 -82.9 -1.8 23.2 -0.5 -5.9 124 124 A K T <<5 + 0 0 103 -3,-1.5 2,-1.3 -4,-0.5 -3,-0.2 0.729 63.6 146.6 68.2 31.8 26.9 -1.5 -6.0 125 125 A R >< + 0 0 92 -5,-2.3 4,-2.3 1,-0.2 5,-0.2 -0.683 21.4 173.2 -98.8 76.0 27.7 0.8 -8.9 126 126 A W H > + 0 0 53 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.877 67.7 44.1 -57.9 -52.4 31.2 1.5 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 114.3 50.1 -67.3 -36.4 32.8 3.4 -10.3 128 128 A E H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 110.3 51.1 -65.3 -38.6 29.7 5.6 -10.8 129 129 A A H X S+ 0 0 2 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.936 107.6 53.1 -62.4 -42.8 29.5 6.4 -7.1 130 130 A A H X S+ 0 0 13 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.900 109.7 47.8 -61.0 -42.8 33.2 7.3 -7.1 131 131 A V H X S+ 0 0 91 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.931 113.7 47.6 -66.1 -43.0 32.7 9.8 -9.8 132 132 A N H >< S+ 0 0 39 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.896 106.9 55.8 -65.5 -38.6 29.7 11.2 -8.2 133 133 A L H 3< S+ 0 0 4 -4,-3.2 6,-0.3 1,-0.2 -1,-0.2 0.865 101.7 58.2 -63.6 -31.2 31.4 11.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.6 -5,-0.2 -1,-0.2 0.655 85.0 81.5 -75.5 -11.9 34.2 13.6 -6.3 135 135 A K S << S+ 0 0 166 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.511 80.1 96.8 -87.4 65.5 31.8 16.2 -7.6 136 136 A S S > S- 0 0 19 -2,-1.6 4,-1.8 1,-0.1 5,-0.1 -0.990 86.1-115.8-153.7 158.1 31.6 17.9 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.904 114.0 66.0 -60.4 -41.5 33.0 20.7 -2.2 138 138 A W H > S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 8,-0.2 0.960 105.0 40.8 -46.1 -51.7 34.3 18.0 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.883 113.8 52.0 -70.6 -36.8 36.6 16.7 -2.6 140 140 A N H < S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 116.0 42.3 -70.6 -27.7 37.7 20.1 -3.9 141 141 A Q H < S+ 0 0 107 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.832 132.2 17.7 -82.8 -39.3 38.6 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 -0.560 73.5 160.6-131.8 70.5 40.4 18.1 1.0 143 143 A P H > + 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.845 68.0 53.8 -66.6 -38.7 41.2 16.2 -2.1 144 144 A N H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.941 116.4 39.0 -63.2 -45.4 44.0 13.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.925 114.9 53.9 -67.3 -46.0 41.8 12.6 2.1 146 146 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.930 107.7 52.3 -54.1 -46.0 38.7 12.5 -0.2 147 147 A K H X S+ 0 0 106 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.861 108.5 49.2 -58.6 -43.5 40.6 10.4 -2.7 148 148 A R H X S+ 0 0 71 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.912 114.7 43.8 -63.1 -44.4 41.6 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 113.6 51.7 -69.5 -36.8 38.1 7.5 1.3 150 150 A I H X S+ 0 0 10 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.898 109.0 49.3 -65.6 -38.9 36.6 7.4 -2.3 151 151 A T H X S+ 0 0 32 -4,-2.2 4,-2.4 -5,-0.2 6,-0.4 0.822 108.8 54.8 -65.7 -35.2 39.0 4.7 -3.3 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.938 112.2 42.8 -58.7 -49.8 38.1 2.8 -0.2 153 153 A A H < S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.828 116.0 48.8 -65.7 -37.1 34.4 3.0 -1.1 154 154 A R H < S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.893 124.1 26.4 -71.9 -42.0 35.0 2.1 -4.7 155 155 A T H < S- 0 0 46 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.585 86.8-134.5 -98.2 -17.1 37.3 -0.9 -4.2 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.3 1,-0.2 -62,-0.2 0.797 74.1 104.6 64.9 21.2 36.3 -2.3 -0.8 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.2 -0.876 76.8-125.9-130.0 172.3 40.0 -2.7 -0.1 158 158 A W > + 0 0 42 -2,-0.3 3,-2.6 1,-0.2 4,-0.4 0.216 68.9 120.4 -99.2 17.2 42.5 -0.7 2.1 159 159 A D G > + 0 0 95 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.793 67.0 60.7 -51.6 -35.3 45.0 -0.0 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.682 104.6 52.0 -67.9 -18.0 44.7 3.8 -0.3 161 161 A Y G < 0 0 20 -3,-2.6 -1,-0.3 -13,-0.1 -2,-0.2 0.461 360.0 360.0-103.3 7.0 45.9 3.4 3.2 162 162 A K < 0 0 184 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.860 360.0 360.0 -96.1 360.0 49.1 1.3 2.6