==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-09 3G3X . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,W.L.HUBBELL . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 . 1 0.6 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 2 0 1 2 1 0 0 1 1 1 0 0 0 0 0 0 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.9 39.4 -38.1 7.2 2 2 A N > - 0 0 67 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.922 360.0 -82.2-157.0 175.6 40.3 -34.8 5.4 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.858 126.7 50.4 -57.7 -38.0 38.7 -31.3 4.9 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 114.0 42.9 -64.7 -49.2 36.6 -32.6 2.0 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.865 114.8 53.1 -63.0 -35.6 35.2 -35.6 3.9 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.954 112.2 41.3 -66.6 -52.3 34.7 -33.4 6.9 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.854 109.5 60.1 -67.0 -33.7 32.7 -30.8 5.1 8 8 A R H X S+ 0 0 105 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.904 108.5 45.3 -58.4 -41.1 30.8 -33.5 3.2 9 9 A I H < S+ 0 0 85 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.945 117.5 43.0 -64.1 -48.8 29.6 -34.8 6.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.823 125.0 32.3 -69.5 -33.4 28.7 -31.3 7.9 11 11 A E H < S- 0 0 39 -4,-3.0 19,-0.4 -5,-0.2 -1,-0.2 0.679 92.3-154.1-102.3 -21.5 27.0 -30.0 4.8 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.188 23.5 -85.8 74.1-172.2 25.4 -33.1 3.3 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.935 45.3 164.6-141.7 116.7 24.7 -33.5 -0.4 14 14 A R E -A 28 0A 144 14,-1.9 14,-2.6 -2,-0.4 4,-0.1 -0.999 22.2-160.1-133.7 133.3 21.5 -32.3 -2.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.542 73.7 62.1 -94.2 -7.7 21.1 -32.0 -5.9 16 16 A K E S-C 57 0B 85 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.898 100.3 -85.9-117.3 149.3 18.1 -29.6 -6.0 17 17 A I E + 0 0 15 39,-2.1 2,-0.3 -2,-0.3 10,-0.2 -0.242 59.4 162.6 -51.9 131.7 17.9 -26.1 -4.6 18 18 A Y E -A 26 0A 30 8,-2.6 8,-3.1 -4,-0.1 2,-0.5 -0.905 40.2 -98.4-143.6 170.0 17.1 -26.2 -0.9 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.830 34.8-140.3 -98.7 134.0 17.2 -23.8 2.1 20 20 A D > - 0 0 46 4,-2.8 3,-1.7 -2,-0.5 -1,-0.1 0.046 43.1 -75.9 -77.1-169.2 20.2 -24.1 4.5 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 134.8 50.1 -63.9 -23.5 20.0 -23.7 8.3 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.429 121.8-106.0 -92.3 -2.6 19.7 -20.0 7.9 23 23 A G S < S+ 0 0 40 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.620 75.1 139.4 86.8 15.6 16.9 -20.2 5.4 24 24 A Y - 0 0 78 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.748 62.2-100.3 -97.4 140.8 19.1 -19.3 2.4 25 25 A Y E +AB 19 34A 33 9,-0.5 8,-2.5 11,-0.4 9,-1.3 -0.339 55.5 161.0 -60.9 132.0 18.9 -21.0 -1.0 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.6 6,-0.2 2,-0.3 -0.880 18.3-169.2-147.8 163.6 21.7 -23.5 -1.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 2,-0.2 -0.984 50.7 4.8-156.3 161.1 22.6 -26.5 -3.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.6 -14,-1.9 -2,-0.3 2,-0.9 -0.421 123.0 -6.6 72.4-129.1 25.1 -29.4 -3.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.2 -0.679 128.5 -51.2-105.1 75.3 27.5 -29.7 -0.7 30 30 A G T 4 S+ 0 0 12 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.780 83.5 162.2 67.9 28.0 26.7 -26.5 1.2 31 31 A H E < -B 27 0A 28 -4,-2.0 -4,-1.6 -20,-0.1 2,-0.3 -0.710 31.4-144.4 -83.8 104.2 27.0 -24.2 -1.8 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.487 18.9-177.7 -66.6 126.9 25.3 -21.0 -0.8 33 33 A L E - 0 0 13 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.872 59.3 -31.7 -92.6 -46.1 23.6 -19.4 -3.9 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.973 33.8-133.0-169.9 154.7 22.1 -16.2 -2.4 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.404 74.4 117.9 -93.5 -0.7 20.8 -14.7 0.7 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.405 68.0-138.5 -65.0 139.2 17.9 -13.3 -1.5 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.541 76.9 102.3 -74.7 -5.7 14.4 -14.5 -0.6 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.712 57.9-162.2 -88.1 117.1 13.7 -14.9 -4.3 39 39 A L H > S+ 0 0 63 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.871 95.5 56.4 -60.4 -37.2 13.9 -18.4 -5.7 40 40 A N H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 105.5 50.8 -61.6 -40.3 14.2 -16.9 -9.1 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 110.4 49.6 -61.7 -41.1 17.3 -15.0 -8.0 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.893 108.9 51.8 -65.1 -40.8 18.7 -18.3 -6.6 43 43 A K H X S+ 0 0 68 -4,-2.6 4,-2.5 2,-0.2 11,-0.2 0.880 108.3 52.2 -63.8 -38.5 18.1 -20.1 -9.8 44 44 A S H X S+ 0 0 71 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.933 108.6 49.9 -61.9 -46.4 19.9 -17.3 -11.7 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.892 110.6 51.4 -58.4 -40.2 22.9 -17.7 -9.4 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.945 108.6 49.1 -63.2 -48.6 22.9 -21.4 -10.0 47 47 A D H X>S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 5,-1.1 0.896 113.6 47.6 -57.4 -42.6 22.8 -21.1 -13.8 48 48 A K H <5S+ 0 0 137 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.898 112.9 48.7 -65.7 -41.8 25.7 -18.6 -13.6 49 49 A A H <5S+ 0 0 40 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.879 119.8 36.0 -65.7 -40.8 27.7 -20.9 -11.3 50 50 A I H <5S- 0 0 35 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.755 103.8-125.8 -87.8 -27.9 27.2 -24.0 -13.4 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.731 76.7 74.9 88.6 25.2 27.4 -22.3 -16.8 52 52 A R S - 0 0 71 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.480 33.1-108.8 -89.8 167.3 24.4 -33.5 -11.1 60 60 A K H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.897 121.3 53.6 -61.6 -41.4 26.6 -35.0 -8.5 61 61 A D H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 109.6 48.1 -59.3 -43.2 29.7 -34.2 -10.6 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.914 110.3 51.7 -64.7 -42.1 28.5 -30.6 -10.8 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -34,-0.4 0.913 110.6 48.6 -59.2 -42.1 27.9 -30.5 -7.0 64 64 A E H X S+ 0 0 77 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.824 107.3 56.2 -71.2 -28.5 31.4 -31.8 -6.5 65 65 A K H X S+ 0 0 134 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.951 109.0 45.1 -66.2 -48.8 32.8 -29.2 -8.8 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.883 112.1 54.7 -58.0 -38.9 31.3 -26.3 -6.8 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.944 107.0 48.6 -63.4 -48.3 32.5 -28.0 -3.7 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.921 114.2 47.4 -54.7 -46.6 36.1 -28.1 -4.9 69 69 A Q H X S+ 0 0 94 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.905 112.2 49.7 -61.5 -42.1 35.8 -24.5 -5.9 70 70 A D H X S+ 0 0 33 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.882 111.1 47.5 -69.0 -40.0 34.3 -23.6 -2.5 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.944 113.8 48.4 -64.8 -46.4 37.0 -25.4 -0.4 72 72 A D H X S+ 0 0 96 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.900 110.8 51.9 -58.9 -41.9 39.7 -23.7 -2.5 73 73 A A H X S+ 0 0 39 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.863 107.5 51.9 -63.8 -37.4 38.0 -20.4 -2.0 74 74 A A H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.925 112.1 45.6 -66.0 -44.6 37.9 -20.8 1.7 75 75 A V H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.935 113.9 48.7 -62.2 -46.2 41.6 -21.6 1.8 76 76 A R H X S+ 0 0 136 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.870 110.0 53.0 -63.6 -35.8 42.4 -18.7 -0.4 77 77 A G H X S+ 0 0 5 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.878 109.4 48.4 -65.8 -39.9 40.2 -16.4 1.7 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 7,-0.4 0.935 111.6 49.0 -63.1 -47.0 42.1 -17.5 4.9 79 79 A L H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 111.8 48.5 -71.6 -21.4 45.5 -16.9 3.3 80 80 A R H 3< S+ 0 0 181 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.554 94.1 92.0 -91.4 -8.5 44.6 -13.4 2.0 81 81 A N S+ 0 0 141 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.834 119.5 40.0 -85.7 -36.8 43.7 -11.9 10.8 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.8 -6,-0.2 5,-0.2 0.841 102.1 66.5 -85.5 -34.2 43.2 -15.5 9.6 85 85 A K H X S+ 0 0 87 -4,-2.5 4,-3.1 -7,-0.4 5,-0.2 0.920 100.4 48.8 -56.8 -49.8 46.6 -16.2 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.897 114.0 47.4 -58.6 -39.9 48.7 -16.0 11.0 87 87 A V H X S+ 0 0 2 -4,-0.6 4,-0.7 2,-0.2 3,-0.4 0.960 113.2 47.2 -65.6 -50.6 46.3 -18.3 12.9 88 88 A Y H >< S+ 0 0 38 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.926 110.9 52.3 -53.5 -49.1 46.1 -20.8 10.0 89 89 A D H 3< S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.2 53.9 -58.3 -30.8 49.9 -20.8 9.7 90 90 A S H 3< S+ 0 0 36 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.596 97.1 87.0 -81.5 -11.1 50.3 -21.6 13.4 91 91 A L S << S- 0 0 8 -3,-1.4 2,-0.1 -4,-0.7 31,-0.0 -0.501 75.9-116.4 -96.1 157.4 48.1 -24.7 13.3 92 92 A D > - 0 0 54 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.310 44.7 -95.1 -74.2 171.4 48.6 -28.4 12.6 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.801 122.1 51.6 -64.5 -33.7 46.8 -29.9 9.6 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.949 113.3 43.0 -69.3 -48.9 43.8 -31.2 11.5 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.814 107.6 61.7 -68.1 -29.7 43.1 -27.9 13.2 96 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.912 102.7 51.6 -57.8 -43.0 43.7 -26.1 9.8 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.891 106.1 54.4 -60.4 -39.7 40.8 -28.2 8.5 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.896 109.2 47.7 -61.3 -40.0 38.6 -27.0 11.4 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 110.8 50.6 -68.6 -41.8 39.4 -23.3 10.5 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.906 107.8 55.3 -59.0 -41.1 38.6 -24.0 6.8 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.942 108.0 47.4 -56.6 -50.5 35.3 -25.5 8.0 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.905 113.1 48.1 -57.9 -45.3 34.4 -22.4 9.9 103 103 A V H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.879 108.8 54.5 -65.6 -38.8 35.3 -20.1 6.9 104 104 A F H < S+ 0 0 29 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.921 116.6 37.9 -55.7 -45.6 33.3 -22.4 4.5 105 105 A Q H < S+ 0 0 49 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.900 133.6 19.4 -76.0 -42.5 30.2 -22.0 6.8 106 106 A M H < S- 0 0 58 -4,-2.7 4,-0.4 -5,-0.2 -3,-0.2 0.561 104.1-116.3-111.7 -14.4 30.5 -18.4 7.8 107 107 A G X - 0 0 29 -4,-2.1 4,-2.0 -5,-0.4 5,-0.3 0.063 32.7 -76.5 90.4 157.3 32.8 -16.7 5.3 108 108 A E H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 127.7 47.7 -56.0 -51.6 36.2 -15.0 5.6 109 109 A T H > S+ 0 0 119 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.884 110.2 53.3 -61.8 -39.0 34.9 -11.8 7.2 110 110 A G H >4 S+ 0 0 36 -4,-0.4 3,-0.6 1,-0.2 4,-0.2 0.934 112.9 40.8 -62.9 -48.8 32.8 -13.6 9.8 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.859 107.0 63.0 -70.4 -34.1 35.5 -15.8 11.1 112 112 A A H 3< S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.740 95.7 62.9 -62.9 -21.2 38.1 -13.0 11.0 113 113 A G T << S+ 0 0 53 -4,-0.8 2,-2.5 -3,-0.6 3,-0.3 0.596 73.7 93.3 -78.5 -12.2 35.9 -11.2 13.6 114 114 A F <> + 0 0 41 -3,-2.0 4,-2.9 1,-0.2 5,-0.3 -0.279 52.8 159.5 -76.3 54.6 36.4 -14.0 16.2 115 115 A T H > + 0 0 78 -2,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.839 66.5 41.8 -51.5 -48.9 39.3 -11.9 17.6 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.897 115.7 49.1 -70.2 -40.1 39.5 -13.5 21.0 117 117 A S H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.916 110.4 52.0 -63.4 -44.5 39.0 -17.0 19.9 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.879 107.8 51.8 -59.7 -40.7 41.7 -16.6 17.2 119 119 A R H X S+ 0 0 124 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.937 110.0 48.6 -62.5 -45.9 44.2 -15.3 19.8 120 120 A M H <>S+ 0 0 43 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.876 111.1 50.8 -63.0 -37.7 43.6 -18.3 22.0 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.0 2,-0.2 -1,-0.2 0.914 110.3 48.5 -64.5 -43.6 44.0 -20.7 19.1 122 122 A Q H 3<5S+ 0 0 98 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 110.5 52.2 -64.9 -32.3 47.3 -19.0 18.1 123 123 A Q T 3<5S- 0 0 89 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.553 111.2-127.5 -76.5 -9.2 48.3 -19.3 21.8 124 124 A K T < 5 + 0 0 94 -3,-1.0 2,-1.2 -4,-0.4 -3,-0.2 0.812 59.6 147.1 61.3 33.4 47.5 -23.0 21.5 125 125 A R >< + 0 0 121 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.700 21.1 174.6 -94.0 79.3 45.3 -22.7 24.6 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.853 68.9 46.1 -65.1 -44.8 42.9 -25.4 23.3 127 127 A D H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 116.6 46.0 -64.2 -43.5 40.5 -25.8 26.2 128 128 A E H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.902 112.3 50.8 -66.0 -40.6 40.1 -22.1 26.7 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.896 108.5 53.2 -60.9 -41.1 39.6 -21.5 22.9 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.902 110.0 46.7 -63.0 -43.3 37.0 -24.2 22.9 131 131 A V H < S+ 0 0 88 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.913 114.5 48.2 -62.4 -43.4 35.1 -22.5 25.7 132 132 A N H >< S+ 0 0 36 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.881 106.5 55.4 -67.8 -39.5 35.4 -19.1 24.0 133 133 A L H 3< S+ 0 0 3 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.824 100.9 60.5 -61.5 -31.4 34.2 -20.4 20.6 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.6 1,-0.2 -1,-0.2 0.644 84.4 80.2 -74.0 -15.3 31.0 -21.7 22.1 135 135 A K S < S+ 0 0 158 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 -0.496 81.7 98.7 -87.6 65.2 30.1 -18.2 23.2 136 136 A S S > S- 0 0 17 -2,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.987 84.4-120.1-149.7 153.6 28.8 -17.4 19.7 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.895 115.8 62.5 -57.5 -38.7 25.7 -17.2 17.6 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.932 106.4 41.1 -51.3 -53.3 27.5 -19.8 15.5 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 115.9 50.2 -64.8 -44.1 27.5 -22.3 18.3 140 140 A N H < S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 115.0 41.5 -64.0 -40.7 23.9 -21.5 19.4 141 141 A Q H < S+ 0 0 109 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 132.6 21.9 -79.0 -36.0 22.4 -21.8 15.9 142 142 A T S X S+ 0 0 18 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 -0.597 74.1 159.8-128.5 72.8 24.3 -24.9 14.8 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.867 71.4 48.8 -68.5 -39.5 25.4 -26.6 18.1 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.923 117.0 41.8 -66.9 -44.3 26.0 -30.1 16.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 116.4 49.1 -66.4 -45.0 28.2 -29.0 13.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.903 107.7 55.6 -61.7 -40.4 29.9 -26.4 16.1 147 147 A K H X S+ 0 0 99 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.894 107.9 48.6 -57.8 -42.3 30.6 -29.0 18.7 148 148 A R H X S+ 0 0 67 -4,-1.7 4,-1.7 2,-0.2 12,-0.2 0.934 114.8 44.3 -63.8 -46.3 32.3 -31.2 16.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.923 115.1 47.9 -64.3 -45.3 34.5 -28.3 14.9 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.899 109.5 53.1 -63.5 -40.8 35.3 -27.1 18.4 151 151 A C H X S+ 0 0 55 -4,-2.5 4,-2.5 -5,-0.3 5,-0.4 0.867 106.5 54.2 -62.2 -35.3 36.2 -30.7 19.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.908 110.5 45.4 -65.2 -41.5 38.5 -30.8 16.5 153 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.874 114.2 50.7 -64.9 -39.1 40.2 -27.6 17.7 154 154 A R H < S+ 0 0 125 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.932 126.3 20.1 -66.4 -46.2 40.3 -28.9 21.3 155 155 A T H < S- 0 0 67 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.676 85.1-136.4-101.0 -24.4 41.9 -32.3 20.5 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.747 72.9 105.7 66.6 21.6 43.6 -32.0 17.2 157 157 A T S S- 0 0 46 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.764 81.4-119.8-121.2 172.9 42.1 -35.4 16.3 158 158 A W S >> S+ 0 0 41 -2,-0.3 3,-2.4 1,-0.2 4,-0.6 0.139 71.8 123.0 -96.7 18.7 39.3 -36.5 14.0 159 159 A D G >4 + 0 0 103 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.783 67.9 57.9 -54.1 -32.4 37.4 -38.1 16.9 160 160 A A G 34 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.656 109.5 44.8 -73.7 -14.8 34.3 -36.0 16.4 161 161 A Y G <4 0 0 17 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.406 360.0 360.0-111.6 -0.2 33.9 -37.3 12.8 162 162 A K << 0 0 185 -4,-0.6 -2,-0.2 -3,-0.6 -3,-0.1 0.854 360.0 360.0 -91.9 360.0 34.6 -41.0 13.3