==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 06-NOV-95 198L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.BALDWIN,J.XU,O.HAJISEYEDJAVADI,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8623.0 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 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 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 138.2 43.5 -1.9 8.9 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.879 360.0 -87.2-145.9 174.8 40.3 -0.8 10.7 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.838 123.5 53.2 -58.5 -36.6 38.2 2.4 11.1 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.973 114.0 39.8 -64.9 -54.6 40.4 3.6 14.1 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.884 115.2 55.3 -62.7 -39.0 43.6 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.979 112.4 40.0 -61.4 -50.9 41.9 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 5,-0.4 0.837 109.1 60.6 -67.9 -31.2 40.6 7.8 10.8 8 8 A R H X S+ 0 0 104 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.895 108.0 46.0 -64.8 -31.1 43.9 8.3 12.8 9 9 A I H < S+ 0 0 87 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.916 115.0 46.6 -73.7 -44.3 45.7 8.6 9.5 10 10 A D H < S+ 0 0 18 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.755 125.6 27.9 -68.3 -30.1 43.2 10.9 8.0 11 11 A E H < S- 0 0 45 -4,-2.2 19,-0.3 -5,-0.2 -1,-0.2 0.656 91.6-152.5-107.2 -26.4 42.9 13.2 10.9 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.160 26.4 -82.8 76.0 178.3 46.3 13.0 12.7 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.992 43.7 173.5-130.7 122.2 46.8 13.6 16.4 14 14 A R E -A 28 0A 136 14,-1.5 14,-2.2 -2,-0.4 4,-0.1 -0.996 17.3-166.7-133.8 126.3 47.2 17.1 18.0 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.0 12,-0.2 2,-0.4 0.477 71.7 63.4 -91.4 -4.6 47.3 17.7 21.6 16 16 A K E S-C 57 0B 81 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.916 98.7 -89.1-122.0 147.8 46.8 21.4 21.5 17 17 A I E + 0 0 15 39,-2.0 2,-0.3 -2,-0.4 10,-0.2 -0.313 58.7 167.4 -53.8 135.7 43.8 23.3 20.3 18 18 A Y E -A 26 0A 28 8,-2.6 8,-3.4 -4,-0.1 2,-0.5 -0.912 37.2-100.5-145.3 167.7 44.2 24.0 16.6 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.800 33.6-138.9 -97.0 136.9 42.2 25.2 13.7 20 20 A D - 0 0 49 4,-3.2 3,-0.4 -2,-0.5 -1,-0.1 0.031 39.1 -84.8 -75.3-168.2 40.9 22.7 11.3 21 21 A T S S+ 0 0 100 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.647 133.1 49.8 -76.0 -14.7 40.9 23.1 7.5 22 22 A E S S- 0 0 79 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.543 126.1-103.9 -93.6 -12.8 37.7 25.0 7.7 23 23 A G S S+ 0 0 29 -3,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.585 73.5 143.5 98.1 18.3 39.2 27.2 10.4 24 24 A Y - 0 0 71 1,-0.1 -4,-3.2 -5,-0.0 -1,-0.3 -0.670 59.1-103.0 -93.8 146.9 37.3 25.6 13.3 25 25 A Y E +AB 19 34A 39 9,-0.9 8,-2.4 11,-0.3 9,-1.2 -0.469 55.5 161.8 -66.7 122.5 38.8 25.0 16.7 26 26 A T E -AB 18 32A 3 -8,-3.4 -8,-2.6 -2,-0.3 2,-0.3 -0.846 18.0-174.7-136.9 172.5 39.7 21.4 17.0 27 27 A I E > + B 0 31A 0 4,-1.2 4,-2.2 -2,-0.3 -12,-0.2 -0.982 49.6 7.4-162.5 167.5 41.8 19.0 19.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.5 -2,-0.3 2,-0.9 -0.299 121.5 -7.9 60.3-128.9 42.9 15.4 19.4 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.660 127.6 -51.0-106.5 74.4 41.9 13.2 16.6 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.733 85.3 160.1 71.1 23.5 39.7 15.4 14.5 31 31 A H E < -B 27 0A 30 -4,-2.2 -4,-1.2 1,-0.0 2,-0.2 -0.635 31.7-146.2 -81.8 101.7 37.5 16.3 17.6 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.403 18.1-177.4 -63.6 127.7 35.6 19.5 16.6 33 33 A L E - 0 0 16 -8,-2.4 2,-0.3 1,-0.3 -7,-0.2 0.913 57.4 -27.7 -92.1 -45.7 35.1 21.7 19.5 34 34 A T E -B 25 0A 30 -9,-1.2 -9,-0.9 2,-0.1 -1,-0.3 -0.966 35.2-134.2-167.7 156.6 33.1 24.6 18.1 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.314 72.9 114.1 -97.5 4.0 32.4 26.7 15.0 36 36 A S S S- 0 0 40 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.578 73.1-129.3 -86.1 140.5 32.7 29.9 16.9 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.440 79.0 100.1 -65.3 1.8 35.5 32.3 16.2 38 38 A S > - 0 0 43 1,-0.1 4,-2.0 -13,-0.0 -2,-0.1 -0.809 56.8-160.2-105.6 126.4 36.4 32.5 19.9 39 39 A L H > S+ 0 0 67 -2,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.738 96.8 56.0 -65.9 -26.2 39.2 30.6 21.5 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 104.9 50.4 -74.1 -42.2 37.6 31.0 24.9 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 112.1 49.9 -60.5 -38.7 34.5 29.4 23.7 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.930 110.0 48.6 -64.1 -45.3 36.8 26.6 22.4 43 43 A K H X S+ 0 0 53 -4,-2.5 4,-2.4 2,-0.2 11,-0.2 0.875 110.3 53.3 -63.3 -33.9 38.6 26.3 25.7 44 44 A S H X S+ 0 0 70 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.964 111.0 44.5 -63.7 -54.8 35.2 26.2 27.4 45 45 A E H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.900 112.1 54.5 -55.6 -44.6 34.0 23.4 25.3 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 5,-0.3 0.945 109.6 45.7 -58.1 -46.0 37.3 21.6 25.7 47 47 A D H X>S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 5,-1.0 0.905 113.2 49.5 -65.3 -38.1 37.0 21.8 29.5 48 48 A K H <5S+ 0 0 144 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.840 112.0 49.9 -67.3 -35.0 33.5 20.6 29.5 49 49 A A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.877 120.1 34.3 -73.3 -33.7 34.4 17.7 27.1 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.733 102.2-126.8 -94.1 -25.8 37.3 16.5 29.2 51 51 A G T <5S+ 0 0 67 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.773 76.0 72.7 83.9 27.7 36.0 17.3 32.6 52 52 A R S - 0 0 10 -2,-1.0 3,-0.5 -11,-0.2 -1,-0.2 0.813 35.0-142.3 -93.1 -36.0 42.8 21.9 30.6 55 55 A N T 3 S- 0 0 115 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.834 72.7 -56.0 74.0 32.8 44.0 25.2 29.4 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.545 118.3 98.5 77.7 9.7 43.7 24.1 25.8 57 57 A V B < +C 16 0B 70 -3,-0.5 2,-0.3 -41,-0.2 -41,-0.2 -0.992 45.3 176.9-133.6 133.8 46.0 21.1 26.2 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.797 27.1-106.9-128.4 171.6 45.2 17.4 26.6 59 59 A T > - 0 0 66 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.513 31.4-110.5 -94.8 165.7 46.9 14.1 26.9 60 60 A K H > S+ 0 0 110 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.921 122.1 52.8 -57.4 -45.8 47.1 11.3 24.4 61 61 A D H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.906 109.0 47.8 -57.9 -45.8 45.0 9.3 26.6 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 110.8 52.7 -64.5 -39.3 42.4 12.1 26.7 63 63 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -34,-0.4 0.873 109.6 49.6 -60.7 -38.7 42.6 12.4 22.9 64 64 A E H X S+ 0 0 78 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.860 106.5 53.9 -71.9 -35.0 41.9 8.7 22.5 65 65 A K H X S+ 0 0 143 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.958 110.6 46.8 -63.8 -46.9 39.0 8.8 24.8 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.912 112.0 52.4 -57.7 -43.5 37.4 11.6 22.7 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.946 106.7 50.8 -60.5 -46.7 38.2 9.6 19.6 68 68 A N H X S+ 0 0 91 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.935 112.7 47.5 -56.0 -45.7 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.875 111.5 50.8 -63.0 -40.0 33.3 8.4 21.8 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.853 110.1 47.1 -69.8 -37.5 33.3 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.931 113.3 50.6 -68.3 -42.7 33.7 6.9 16.4 72 72 A D H X S+ 0 0 85 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.953 110.4 48.3 -59.2 -45.8 30.9 5.3 18.5 73 73 A A H X S+ 0 0 45 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.890 108.4 55.3 -63.2 -36.2 28.6 8.3 18.0 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.965 110.4 45.0 -63.2 -47.3 29.3 8.2 14.2 75 75 A V H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.959 115.4 46.5 -60.2 -49.8 28.2 4.6 14.0 76 76 A R H X S+ 0 0 131 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.887 109.0 55.4 -61.3 -38.1 25.2 5.1 16.2 77 77 A G H X S+ 0 0 2 -4,-2.9 4,-0.8 -5,-0.2 -1,-0.2 0.915 109.2 49.0 -59.7 -40.1 24.3 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.2 7,-0.4 0.962 110.3 48.3 -62.8 -49.8 24.4 6.0 11.1 79 79 A L H 3< S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.728 111.6 50.9 -65.8 -22.1 22.2 3.3 12.5 80 80 A R H 3< S+ 0 0 177 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.530 91.4 94.5 -90.3 -14.3 19.7 5.8 13.7 81 81 A N S+ 0 0 127 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.823 120.7 39.1 -82.6 -34.4 18.6 7.4 5.0 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.3 0.863 100.3 68.6 -84.2 -42.6 21.9 6.0 6.1 85 85 A K H X S+ 0 0 84 -4,-3.1 4,-3.0 -7,-0.4 5,-0.2 0.891 100.0 48.3 -49.1 -45.8 21.1 2.8 7.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.886 111.7 50.7 -67.8 -33.9 19.9 0.9 4.8 87 87 A V H < S+ 0 0 2 -4,-0.5 4,-0.4 -3,-0.3 -2,-0.2 0.956 112.5 47.0 -64.1 -49.9 23.0 1.9 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.921 108.7 53.8 -55.1 -50.1 25.2 0.8 5.7 89 89 A D H 3< S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.5 54.0 -59.3 -31.4 23.4 -2.5 6.1 90 90 A S T 3< S+ 0 0 39 -4,-1.5 -1,-0.3 -5,-0.2 2,-0.2 0.542 95.8 89.9 -81.7 -4.4 23.9 -3.3 2.5 91 91 A L S < S- 0 0 7 -3,-1.8 2,-0.0 -4,-0.4 31,-0.0 -0.626 74.0-115.8 -98.4 160.1 27.6 -2.8 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.271 44.1 -95.4 -75.1 165.3 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.821 121.4 49.0 -55.9 -39.1 32.9 -4.3 6.1 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.4 2,-0.2 3,-0.5 0.960 111.8 47.1 -68.4 -49.5 35.5 -2.2 4.2 95 95 A R H > S+ 0 0 27 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.839 106.0 59.6 -62.6 -30.8 33.0 0.0 2.5 96 96 A R H X S+ 0 0 77 -4,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.892 101.3 55.6 -63.2 -37.1 31.2 0.5 5.9 97 97 A A H X S+ 0 0 6 -4,-1.2 4,-2.4 -3,-0.5 -1,-0.2 0.890 105.0 52.9 -60.9 -38.1 34.4 2.0 7.1 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.917 110.7 46.2 -61.9 -44.1 34.3 4.4 4.2 99 99 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.930 110.7 52.3 -66.8 -40.9 30.8 5.6 5.1 100 100 A I H X S+ 0 0 9 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.920 107.6 53.3 -60.6 -41.6 31.8 5.9 8.8 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.911 108.6 48.5 -59.3 -46.7 34.7 8.1 7.8 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.910 112.9 48.9 -61.2 -42.0 32.5 10.4 5.8 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 108.7 51.4 -65.4 -43.3 30.1 10.7 8.7 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.927 117.9 41.0 -57.5 -41.7 32.8 11.3 11.2 105 105 A Q H < S+ 0 0 60 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.915 130.4 20.4 -76.3 -45.9 34.1 14.1 9.0 106 106 A M H X S- 0 0 54 -4,-3.4 4,-0.5 -5,-0.2 -3,-0.2 0.469 104.3-110.5-110.5 1.5 30.9 15.7 7.8 107 107 A G H X - 0 0 34 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.222 31.9 -87.1 81.3 148.4 28.2 14.8 10.2 108 108 A E H > S+ 0 0 51 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.846 126.0 53.4 -54.1 -45.9 25.2 12.5 9.6 109 109 A T H > S+ 0 0 115 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.901 107.9 51.6 -63.3 -39.2 23.1 15.2 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.5 3,-0.8 2,-0.2 4,-0.3 0.955 115.7 38.5 -63.1 -52.3 25.7 16.2 5.7 111 111 A V H >< S+ 0 0 2 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.908 106.6 65.0 -67.0 -39.8 26.2 12.7 4.4 112 112 A A H 3< S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 97.6 61.0 -54.9 -21.1 22.5 11.9 4.6 113 113 A G T << S+ 0 0 45 -3,-0.8 2,-3.0 -4,-0.8 -1,-0.3 0.657 72.1 93.7 -81.2 -19.6 22.1 14.6 2.0 114 114 A F <> + 0 0 54 -3,-2.3 4,-2.3 -4,-0.3 5,-0.3 -0.332 54.4 166.3 -72.6 59.8 24.2 12.9 -0.7 115 115 A T H > + 0 0 93 -2,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.857 65.6 44.7 -44.6 -52.5 21.0 11.4 -2.1 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.900 113.0 48.3 -68.0 -40.4 22.3 10.3 -5.4 117 117 A S H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.862 107.0 57.7 -68.4 -32.6 25.4 8.7 -4.2 118 118 A L H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 107.8 48.5 -64.3 -36.5 23.6 6.9 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.934 111.3 48.0 -69.0 -42.6 21.4 5.3 -4.1 120 120 A M H <>S+ 0 0 22 -4,-2.0 5,-2.3 2,-0.2 4,-0.3 0.901 110.4 52.8 -64.0 -42.0 24.4 4.3 -6.3 121 121 A A H ><5S+ 0 0 2 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.933 110.2 48.3 -59.3 -42.7 26.1 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 104 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.917 111.4 48.3 -66.0 -39.1 23.0 0.8 -2.5 123 123 A Q T 3<5S- 0 0 84 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.445 111.1-125.9 -79.4 1.0 22.8 -0.4 -6.1 124 124 A K T < 5 + 0 0 100 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.800 55.8 153.4 57.6 36.5 26.5 -1.2 -5.9 125 125 A R >< + 0 0 112 -5,-2.3 4,-2.1 1,-0.2 -1,-0.2 -0.713 18.5 177.9 -94.3 77.6 27.4 0.8 -8.9 126 126 A W H > + 0 0 51 -2,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.806 68.9 45.5 -52.2 -51.8 31.0 1.5 -7.7 127 127 A D H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 114.9 48.2 -64.9 -43.2 32.5 3.5 -10.6 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 109.2 53.8 -65.1 -41.1 29.5 5.7 -10.9 129 129 A L H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.926 108.0 51.8 -55.3 -44.5 29.5 6.3 -7.1 130 130 A A H X S+ 0 0 15 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.897 110.1 47.1 -62.5 -39.7 33.2 7.3 -7.3 131 131 A V H >X S+ 0 0 92 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.981 114.1 47.3 -66.2 -52.1 32.5 9.8 -10.0 132 132 A N H >< S+ 0 0 44 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.850 106.7 56.2 -57.5 -41.2 29.6 11.3 -8.2 133 133 A L H 3< S+ 0 0 4 -4,-2.9 6,-0.4 1,-0.2 -1,-0.3 0.871 100.9 60.6 -63.0 -31.1 31.3 11.6 -4.9 134 134 A A H << S+ 0 0 29 -4,-1.2 2,-1.6 -3,-0.7 -1,-0.2 0.654 86.2 77.5 -70.3 -17.3 34.0 13.7 -6.6 135 135 A K S << S+ 0 0 169 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.577 81.0 94.5 -93.6 72.3 31.6 16.4 -7.6 136 136 A S S > S- 0 0 22 -2,-1.6 4,-1.8 1,-0.1 5,-0.2 -0.993 85.1-114.3-156.4 159.3 31.4 17.9 -4.2 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.869 114.1 64.0 -61.7 -39.7 32.8 20.7 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.934 105.9 42.7 -48.6 -52.6 34.2 17.9 0.2 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 115.7 48.5 -65.7 -40.8 36.4 16.6 -2.6 140 140 A N H < S+ 0 0 108 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.840 115.1 44.5 -71.8 -31.6 37.5 20.1 -3.7 141 141 A Q H < S+ 0 0 92 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.878 132.0 17.6 -79.8 -36.1 38.3 21.2 -0.2 142 142 A T S X S+ 0 0 26 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 -0.554 73.0 164.5-136.4 68.7 40.2 18.1 0.9 143 143 A P H > S+ 0 0 50 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.826 70.4 50.4 -55.9 -47.1 41.1 16.2 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.938 116.6 41.2 -62.6 -47.4 43.8 13.8 -0.9 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.953 115.6 51.5 -62.8 -49.5 41.6 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.945 107.2 52.9 -54.0 -47.7 38.6 12.5 -0.3 147 147 A K H X S+ 0 0 97 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.888 108.5 52.1 -54.7 -40.1 40.5 10.4 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.924 112.0 43.4 -61.6 -47.5 41.4 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.910 113.5 52.4 -65.2 -41.7 37.8 7.6 1.0 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.833 108.8 48.7 -62.5 -40.2 36.5 7.4 -2.5 151 151 A T H X S+ 0 0 40 -4,-2.1 4,-2.8 -5,-0.2 6,-0.4 0.846 111.3 51.0 -68.1 -37.7 38.9 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.7 44.5 -64.8 -45.5 38.0 2.7 -0.4 153 153 A F H < S+ 0 0 6 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 117.3 45.2 -65.4 -43.2 34.3 3.0 -1.3 154 154 A R H < S+ 0 0 89 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.928 124.5 29.0 -65.4 -50.5 34.9 2.2 -4.9 155 155 A T H < S- 0 0 41 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.679 86.9-135.5 -87.0 -28.8 37.2 -0.8 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.688 72.3 102.8 75.6 16.3 36.2 -2.3 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.830 77.7-123.4-125.7 168.1 39.9 -2.7 -0.3 158 158 A W >> + 0 0 42 -2,-0.3 3,-1.9 1,-0.2 4,-0.7 0.179 69.5 121.5 -95.1 17.6 42.3 -0.8 2.0 159 159 A D G >4 + 0 0 95 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.870 66.5 58.2 -50.0 -44.6 44.8 -0.0 -0.8 160 160 A A G 34 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.708 110.9 46.2 -62.3 -17.3 44.7 3.8 -0.5 161 161 A Y G <4 0 0 19 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.517 360.0 360.0-103.2 -5.7 45.7 3.4 3.1 162 162 A K << 0 0 173 -3,-1.7 -2,-0.2 -4,-0.7 -3,-0.1 0.890 360.0 360.0 -98.0 360.0 48.5 0.9 2.6