==== 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) 29-SEP-92 103L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.W.HEINZ,B.W.MATTHEWS . 159 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 71.7 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 . 10 6.3 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 1.3 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 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 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, 0.0 159,-0.0 0.000 360.0 360.0 360.0 143.8 43.6 -2.0 8.7 2 2 A N > - 0 0 70 1,-0.1 4,-2.8 154,-0.0 5,-0.2 -0.934 360.0 -88.8-148.5 173.7 40.5 -0.9 10.6 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.868 123.0 51.0 -55.1 -43.4 38.3 2.2 11.1 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 114.7 42.8 -60.3 -45.7 40.3 3.6 14.0 5 5 A E H > S+ 0 0 105 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.874 113.4 54.0 -68.7 -39.2 43.6 3.3 12.0 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.919 113.2 39.9 -62.0 -50.4 41.9 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.4 0.895 108.6 60.6 -70.7 -36.4 40.6 7.8 10.7 8 8 A R H X S+ 0 0 101 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.870 108.4 47.2 -59.8 -26.5 43.8 8.3 12.7 9 9 A I H < S+ 0 0 88 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.877 114.2 45.6 -81.2 -34.6 45.5 8.6 9.4 10 10 A D H < S+ 0 0 19 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.873 124.0 30.9 -75.4 -33.2 43.0 10.9 7.9 11 11 A E H < S- 0 0 41 -4,-3.0 19,-0.3 -5,-0.1 -3,-0.2 0.685 91.0-151.1-101.2 -24.0 42.7 13.3 10.9 12 12 A G < - 0 0 25 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.1 -0.057 26.3 -82.8 74.1 178.0 46.1 13.2 12.6 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.994 43.0 173.6-127.3 126.7 46.7 13.8 16.3 14 14 A R E -A 28 0A 132 14,-1.5 14,-2.5 -2,-0.4 4,-0.1 -0.975 16.6-169.9-138.1 118.7 47.0 17.2 18.0 15 15 A L E S+ 0 0 66 -2,-0.4 41,-2.8 12,-0.2 2,-0.4 0.448 73.8 64.9 -86.0 -2.3 47.2 17.7 21.7 16 16 A K E S-C 55 0B 98 39,-0.2 39,-0.2 12,-0.1 10,-0.1 -0.959 99.0 -92.6-124.8 134.8 46.7 21.4 21.5 17 17 A I E + 0 0 14 37,-2.2 2,-0.3 -2,-0.4 10,-0.2 0.004 56.2 170.4 -39.9 156.6 43.6 23.2 20.3 18 18 A Y E -A 26 0A 31 8,-2.6 8,-2.8 -4,-0.1 2,-0.5 -0.995 34.1 -99.6-164.5 166.4 43.8 24.0 16.7 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.827 38.4-130.2-102.2 135.5 41.9 25.2 13.7 20 20 A D > - 0 0 42 4,-2.5 3,-4.2 -2,-0.5 -1,-0.1 -0.072 34.9 -85.6 -78.3 173.1 40.5 22.9 11.2 21 21 A T T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.613 137.2 37.2 -51.3 -17.7 40.6 22.7 7.5 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.260 128.9 -97.5-117.8 6.9 37.7 25.1 7.6 23 23 A G S < S+ 0 0 34 -3,-4.2 2,-0.3 1,-0.3 -2,-0.1 0.487 74.4 142.7 90.6 9.9 39.0 27.1 10.5 24 24 A Y - 0 0 107 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.600 59.1-101.4 -88.8 147.1 37.1 25.4 13.4 25 25 A Y E +A 19 0A 45 -2,-0.3 8,-2.6 -6,-0.2 9,-1.2 -0.376 56.0 157.1 -67.6 132.7 38.4 24.8 16.6 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.6 6,-0.3 2,-0.3 -0.951 17.9-175.5-149.9 163.3 39.4 21.3 17.0 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.1 -2,-0.3 -12,-0.2 -0.907 51.1 10.9-154.2 174.1 41.7 19.1 19.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.5 -2,-0.3 2,-0.7 -0.237 121.9 -8.6 54.8-123.6 42.9 15.5 19.4 29 29 A I T 4 S- 0 0 2 32,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.608 126.8 -51.1-109.1 70.3 41.9 13.2 16.6 30 30 A G T 4 S+ 0 0 14 -2,-0.7 2,-1.3 -19,-0.3 -2,-0.2 0.753 84.8 159.8 73.4 23.8 39.5 15.3 14.6 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.5 1,-0.0 2,-0.3 -0.620 31.8-146.5 -82.6 99.4 37.4 16.2 17.6 32 32 A L E +B 26 0A 76 -2,-1.3 -6,-0.3 -6,-0.2 -7,-0.1 -0.443 21.6 178.9 -69.5 125.7 35.6 19.3 16.5 33 33 A L 0 0 16 -8,-2.6 -7,-0.2 -2,-0.3 -1,-0.2 0.940 360.0 360.0 -91.3 -59.4 35.0 21.7 19.3 34 34 A T 0 0 87 -9,-1.2 -10,-0.1 9,-0.0 -2,-0.0 0.430 360.0 360.0 -77.9 360.0 33.2 24.6 17.6 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 40AA S > 0 0 90 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 129.7 36.3 31.8 19.6 37 40BA L H > + 0 0 67 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.880 360.0 51.3 -61.9 -38.7 39.2 30.3 21.3 38 40CA D H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 110.8 47.3 -65.0 -43.7 37.6 31.0 24.7 39 41 A A H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.934 115.1 47.7 -61.7 -42.7 34.4 29.4 23.6 40 42 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.893 109.7 51.9 -64.0 -40.7 36.5 26.5 22.3 41 43 A K H X S+ 0 0 51 -4,-3.4 4,-2.2 2,-0.2 11,-0.2 0.879 111.0 49.7 -62.9 -36.2 38.5 26.4 25.5 42 44 A S H X S+ 0 0 72 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.977 110.5 47.2 -65.9 -53.7 35.3 26.2 27.4 43 45 A E H X S+ 0 0 76 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.887 112.5 52.4 -50.7 -47.4 33.8 23.4 25.2 44 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.884 107.5 50.2 -58.9 -43.6 37.1 21.6 25.6 45 47 A D H X>S+ 0 0 34 -4,-2.2 4,-2.0 1,-0.2 5,-1.1 0.908 111.3 48.8 -63.3 -38.9 37.0 21.9 29.4 46 48 A K H <5S+ 0 0 146 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.856 109.9 52.0 -68.6 -34.1 33.5 20.6 29.4 47 49 A A H <5S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 119.6 35.2 -69.1 -35.7 34.4 17.6 27.1 48 50 A I H <5S- 0 0 35 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.640 99.8-131.4 -94.4 -22.7 37.4 16.6 29.4 49 51 A G T <5S+ 0 0 66 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.748 74.8 82.7 75.2 24.1 35.9 17.5 32.7 50 52 A R S - 0 0 7 -2,-1.3 3,-1.9 -11,-0.2 -1,-0.2 0.700 29.8-149.7 -84.7 -23.2 42.6 22.1 30.4 53 55 A N T 3 S- 0 0 116 1,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.646 76.8 -58.5 61.8 9.3 44.0 25.5 29.5 54 56 A G T 3 S+ 0 0 0 1,-0.2 -37,-2.2 -13,-0.2 2,-0.4 0.474 114.9 99.7 100.3 5.2 43.7 24.2 25.9 55 57 A V B < -C 16 0B 67 -3,-1.9 2,-0.3 -39,-0.2 -1,-0.2 -0.966 44.5-173.4-130.9 138.0 45.9 21.1 26.1 56 58 A I - 0 0 3 -41,-2.8 2,-0.1 -2,-0.4 -28,-0.1 -0.867 23.8-114.0-128.5 161.5 45.2 17.4 26.5 57 59 A T > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.268 34.5-108.1 -82.7 170.6 47.1 14.2 27.0 58 60 A K H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.915 122.9 55.0 -65.7 -38.9 47.2 11.5 24.4 59 61 A D H > S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.868 107.4 49.4 -56.7 -46.9 45.0 9.4 26.6 60 62 A E H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.922 109.7 50.6 -61.9 -46.8 42.5 12.3 26.6 61 63 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.3 -32,-0.5 0.832 111.3 50.0 -60.7 -34.6 42.5 12.6 22.8 62 64 A E H X S+ 0 0 76 -4,-2.0 4,-2.3 2,-0.2 -1,-0.3 0.835 104.9 55.8 -74.2 -33.3 42.0 8.9 22.5 63 65 A K H X S+ 0 0 138 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.947 110.6 45.5 -63.6 -44.5 39.1 9.0 24.9 64 66 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.872 110.5 54.0 -61.6 -41.6 37.3 11.5 22.7 65 67 A F H X S+ 0 0 13 -4,-1.7 4,-2.2 1,-0.2 5,-0.3 0.914 107.5 50.2 -63.7 -44.5 38.2 9.6 19.6 66 68 A N H X S+ 0 0 91 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.928 111.9 48.4 -58.5 -45.7 36.6 6.4 21.0 67 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 111.8 49.9 -62.5 -41.9 33.5 8.4 21.9 68 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.810 108.7 49.3 -68.6 -35.1 33.3 9.9 18.5 69 71 A V H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.934 112.6 49.8 -70.7 -40.9 33.7 6.6 16.5 70 72 A D H X S+ 0 0 88 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.925 110.1 50.7 -58.6 -44.2 31.0 5.2 18.7 71 73 A A H X S+ 0 0 44 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.879 108.2 51.7 -64.1 -39.0 28.8 8.2 18.0 72 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.926 110.6 48.0 -63.7 -45.7 29.3 8.0 14.2 73 75 A V H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.961 113.9 47.0 -58.6 -50.9 28.3 4.3 14.1 74 76 A R H X S+ 0 0 108 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.880 110.1 52.5 -60.0 -40.5 25.2 4.9 16.2 75 77 A G H >X S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.954 109.2 50.2 -61.3 -45.1 24.1 7.8 14.2 76 78 A I H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 7,-0.4 0.951 111.3 48.3 -55.2 -47.7 24.4 5.8 11.1 77 79 A L H 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.697 112.7 47.6 -69.8 -18.2 22.3 3.1 12.6 78 80 A R H << S+ 0 0 178 -4,-1.5 2,-0.6 -3,-0.7 -1,-0.3 0.505 92.7 97.5 -94.0 -15.0 19.7 5.5 13.8 79 81 A N S+ 0 0 0 -7,-0.2 4,-2.7 -6,-0.2 3,-0.4 0.842 101.2 67.0 -86.4 -39.4 22.0 5.8 6.2 83 85 A K H X S+ 0 0 87 -4,-2.9 4,-3.1 -7,-0.4 5,-0.2 0.891 99.9 49.7 -53.4 -45.9 21.1 2.5 7.9 84 86 A P H > S+ 0 0 50 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.863 112.9 48.0 -66.1 -32.7 19.9 0.8 4.8 85 87 A V H > S+ 0 0 2 -4,-0.4 4,-0.6 -3,-0.4 3,-0.3 0.946 112.5 48.5 -70.1 -45.1 23.0 1.8 2.9 86 88 A Y H >< S+ 0 0 35 -4,-2.7 3,-1.5 1,-0.2 -3,-0.2 0.931 109.2 54.0 -57.7 -45.6 25.2 0.6 5.7 87 89 A D H 3< S+ 0 0 75 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.7 53.0 -61.6 -31.7 23.4 -2.6 5.9 88 90 A S H 3< S+ 0 0 35 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.616 96.1 90.8 -83.2 -6.1 23.9 -3.3 2.3 89 91 A L S << S- 0 0 6 -3,-1.5 2,-0.1 -4,-0.6 31,-0.0 -0.543 73.1-119.2 -92.9 158.9 27.7 -2.8 2.4 90 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.327 46.0 -92.5 -79.8 165.3 30.7 -5.2 3.0 91 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.813 120.5 48.6 -53.9 -38.6 33.0 -4.4 6.0 92 94 A V H > S+ 0 0 24 62,-0.2 4,-1.6 2,-0.2 3,-0.4 0.961 112.9 45.2 -71.3 -50.0 35.5 -2.2 4.2 93 95 A R H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.865 107.1 60.7 -61.7 -31.3 33.1 -0.0 2.5 94 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.905 102.9 53.2 -59.4 -37.5 31.2 0.3 5.8 95 97 A A H X S+ 0 0 8 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.897 104.7 54.4 -64.3 -38.4 34.3 1.7 7.1 96 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.887 108.3 49.1 -62.6 -40.3 34.3 4.3 4.3 97 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.888 109.1 51.4 -67.7 -38.9 30.8 5.4 5.2 98 100 A I H X S+ 0 0 7 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.913 107.0 55.1 -64.2 -39.2 31.7 5.8 8.9 99 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.947 107.7 48.3 -57.5 -49.0 34.7 7.9 7.9 100 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.4 1,-0.2 5,-0.4 0.921 112.9 49.2 -57.7 -43.9 32.5 10.3 5.9 101 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.893 108.5 52.5 -62.0 -44.1 30.0 10.5 8.9 102 104 A F H < S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.931 117.0 39.9 -57.9 -46.0 32.8 11.2 11.3 103 105 A Q H < S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.917 131.7 18.9 -71.9 -49.2 34.0 14.0 9.2 104 106 A M H X S- 0 0 52 -4,-3.4 4,-0.8 -5,-0.2 -3,-0.2 0.505 102.7-111.4-109.4 2.3 30.9 15.6 8.0 105 107 A G H X - 0 0 31 -4,-2.3 4,-2.2 -5,-0.4 5,-0.3 0.086 34.3 -82.7 84.4 150.0 28.1 14.6 10.3 106 108 A E H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 128.5 52.6 -59.4 -39.5 25.2 12.4 9.7 107 109 A T H > S+ 0 0 121 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 107.4 49.3 -64.5 -48.7 23.3 15.2 8.2 108 110 A G H < S+ 0 0 35 -4,-0.8 3,-0.3 1,-0.2 -2,-0.2 0.899 116.0 43.3 -60.7 -44.7 26.0 16.2 5.7 109 111 A V H >< S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.856 104.6 63.7 -68.3 -39.4 26.3 12.6 4.5 110 112 A A H 3< S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 96.3 61.1 -53.8 -34.4 22.6 12.1 4.5 111 113 A G T 3< S+ 0 0 58 -4,-1.3 3,-0.3 -3,-0.3 -1,-0.3 0.376 75.6 89.5 -76.1 2.5 22.4 14.8 1.7 112 114 A F X> + 0 0 39 -3,-2.4 4,-2.5 1,-0.2 3,-0.5 -0.207 56.4 154.8 -91.3 43.8 24.7 12.8 -0.7 113 115 A T H 3> + 0 0 83 -2,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.801 62.9 46.2 -36.6 -54.5 21.4 11.3 -1.9 114 116 A N H 3> S+ 0 0 88 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.910 113.7 48.7 -65.7 -39.3 22.4 10.3 -5.4 115 117 A S H <> S+ 0 0 1 -3,-0.5 4,-2.9 1,-0.2 5,-0.2 0.890 108.4 55.2 -63.4 -43.4 25.7 8.8 -4.3 116 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.904 105.9 50.2 -58.8 -43.2 24.0 6.8 -1.6 117 119 A R H X S+ 0 0 115 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.923 111.0 51.0 -64.8 -36.9 21.6 5.2 -4.0 118 120 A M H <>S+ 0 0 27 -4,-1.6 5,-2.0 2,-0.2 -2,-0.2 0.931 109.9 48.6 -66.6 -43.6 24.5 4.3 -6.2 119 121 A L H ><5S+ 0 0 3 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.927 109.6 52.6 -61.9 -42.8 26.3 2.8 -3.3 120 122 A Q H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.924 109.1 48.8 -61.8 -37.3 23.2 0.9 -2.4 121 123 A Q T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.357 112.1-121.2 -82.0 7.5 22.9 -0.5 -5.9 122 124 A K T < 5 + 0 0 98 -3,-1.8 2,-1.5 1,-0.2 -3,-0.2 0.794 60.4 149.7 54.6 32.7 26.6 -1.5 -5.9 123 125 A R >< + 0 0 111 -5,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.658 20.7 176.4 -89.9 79.8 27.4 0.7 -8.9 124 126 A W H > + 0 0 51 -2,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.887 67.0 45.8 -55.9 -50.1 31.0 1.3 -7.8 125 127 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.936 113.9 49.7 -67.4 -36.6 32.5 3.3 -10.6 126 128 A E H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.884 107.3 51.0 -69.9 -42.4 29.6 5.6 -10.8 127 129 A A H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.875 107.0 56.5 -64.9 -31.0 29.2 6.4 -7.3 128 130 A A H X S+ 0 0 11 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.946 109.4 46.2 -64.6 -41.2 33.0 7.3 -7.2 129 131 A V H X S+ 0 0 86 -4,-1.7 4,-0.6 1,-0.2 3,-0.2 0.908 114.6 46.6 -65.6 -45.5 32.4 9.7 -9.9 130 132 A N H >< S+ 0 0 42 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.916 107.5 55.9 -65.6 -42.3 29.4 11.2 -8.3 131 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 -5,-0.3 -1,-0.2 0.857 100.3 61.8 -58.9 -30.5 31.0 11.5 -4.9 132 134 A A H 3< S+ 0 0 29 -4,-1.2 2,-1.6 -3,-0.2 -1,-0.2 0.662 85.1 79.2 -68.5 -19.6 33.8 13.5 -6.5 133 135 A K S << S+ 0 0 159 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 -0.549 79.6 96.8 -88.6 66.9 31.3 16.2 -7.6 134 136 A S S > S- 0 0 20 -2,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.992 83.4-116.7-151.5 159.4 31.2 17.9 -4.2 135 137 A R H > S+ 0 0 148 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.926 115.6 61.9 -59.4 -43.5 32.6 20.7 -2.1 136 138 A W H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 8,-0.3 0.898 105.9 44.4 -46.9 -50.2 34.0 17.9 0.2 137 139 A Y H 4 S+ 0 0 61 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.937 115.2 48.1 -65.1 -45.2 36.1 16.6 -2.6 138 140 A N H < S+ 0 0 113 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.820 115.4 44.1 -67.9 -29.6 37.2 20.1 -3.7 139 141 A Q H < S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 130.9 17.7 -84.8 -36.8 38.1 21.2 -0.2 140 142 A T S X S+ 0 0 23 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 -0.581 74.5 163.6-135.5 69.2 40.0 18.1 1.1 141 143 A P H > + 0 0 48 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.811 69.0 52.3 -60.6 -40.0 40.9 16.3 -2.1 142 144 A N H > S+ 0 0 111 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.961 116.0 41.3 -66.0 -46.9 43.5 13.9 -0.9 143 145 A R H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.971 115.6 50.3 -60.8 -54.1 41.3 12.6 2.0 144 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 -8,-0.3 5,-0.3 0.950 107.6 53.4 -51.7 -51.8 38.3 12.5 -0.2 145 147 A K H X S+ 0 0 88 -4,-3.0 4,-2.4 1,-0.2 -1,-0.3 0.880 107.7 53.6 -52.6 -37.0 40.2 10.6 -2.9 146 148 A R H X S+ 0 0 67 -4,-1.7 4,-1.4 -3,-0.4 -1,-0.2 0.957 111.3 42.4 -62.2 -52.0 41.2 8.0 -0.2 147 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 114.2 52.4 -60.2 -45.3 37.6 7.4 0.9 148 150 A I H X S+ 0 0 14 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.906 107.6 51.2 -59.4 -42.5 36.3 7.3 -2.6 149 151 A T H X S+ 0 0 39 -4,-2.4 4,-2.5 -5,-0.3 6,-0.4 0.851 108.2 53.9 -64.2 -31.0 38.9 4.7 -3.6 150 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.899 110.3 44.8 -70.6 -39.9 37.8 2.7 -0.7 151 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.7 48.9 -69.1 -39.6 34.2 2.8 -1.9 152 154 A R H < S+ 0 0 98 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.904 125.3 24.8 -67.9 -41.6 35.3 2.0 -5.4 153 155 A T H < S- 0 0 48 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.751 85.4-137.0 -97.3 -29.3 37.5 -0.9 -4.7 154 156 A G S < S+ 0 0 16 -4,-2.1 2,-0.2 -5,-0.4 -62,-0.2 0.696 71.9 106.0 76.8 15.4 36.3 -2.3 -1.5 155 157 A T S S- 0 0 43 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.741 78.3-123.2-121.7 172.4 40.0 -2.6 -0.4 156 158 A W S > S+ 0 0 44 -2,-0.2 3,-1.7 1,-0.2 4,-0.4 0.126 72.6 119.2 -97.8 18.4 42.4 -0.8 2.0 157 159 A D G > + 0 0 103 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.786 65.5 59.5 -55.5 -32.7 44.8 0.0 -0.8 158 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.644 108.8 45.5 -72.4 -12.0 44.6 3.8 -0.5 159 161 A Y G < 0 0 20 -3,-1.7 -1,-0.2 -13,-0.1 -2,-0.2 0.376 360.0 360.0-108.4 -5.4 45.7 3.6 3.0 160 162 A K < 0 0 166 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.837 360.0 360.0-102.3 360.0 48.6 1.3 2.5