==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-99 259L . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.W.WRAY,W.A.BAASE,G.J.OSTHEIMER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 69.8 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 2 1 0 0 1 1 0 0 0 0 0 1 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 83 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 168.8 44.1 -2.0 9.0 2 2 A N > - 0 0 58 1,-0.1 4,-2.6 156,-0.1 5,-0.2 -0.965 360.0 -88.6-155.5 173.2 41.0 -0.6 10.7 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.840 121.9 53.9 -54.0 -37.6 38.9 2.5 11.2 4 4 A F H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.966 112.4 41.4 -64.4 -52.5 41.0 3.6 14.1 5 5 A E H > S+ 0 0 101 1,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.861 115.3 54.4 -63.3 -31.7 44.3 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.947 110.0 41.3 -69.6 -50.2 42.7 5.0 9.3 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.741 110.4 60.3 -70.1 -23.2 41.3 8.0 10.9 8 8 A R H X S+ 0 0 108 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.937 106.6 46.5 -68.5 -38.1 44.4 8.4 12.9 9 9 A I H < S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.940 115.9 46.1 -63.9 -47.4 46.3 8.7 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.827 124.9 28.4 -65.7 -35.3 43.8 11.2 8.2 11 11 A E H < S- 0 0 44 -4,-2.3 19,-0.5 -5,-0.1 -1,-0.2 0.547 91.6-156.0-102.9 -15.9 43.5 13.4 11.2 12 12 A G < - 0 0 23 -4,-1.9 2,-0.4 -5,-0.2 18,-0.2 0.172 27.3 -78.2 58.5-178.2 46.9 13.1 12.9 13 13 A L + 0 0 46 16,-0.2 2,-0.4 17,-0.1 16,-0.2 -0.975 43.1 172.4-125.4 128.5 47.5 13.7 16.7 14 14 A R E -A 28 0A 120 14,-1.3 14,-2.3 -2,-0.4 4,-0.1 -0.996 14.7-169.8-133.4 126.3 47.9 17.1 18.4 15 15 A L E S+ 0 0 65 -2,-0.4 43,-3.0 12,-0.2 2,-0.3 0.546 71.8 60.7 -95.9 -3.9 48.1 17.6 22.1 16 16 A K E S-C 57 0B 104 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.910 99.6 -86.9-121.9 148.7 47.7 21.3 22.2 17 17 A I E - 0 0 18 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.246 54.1-179.5 -54.2 137.3 44.8 23.4 21.0 18 18 A Y E -A 26 0A 37 8,-2.6 8,-3.7 -4,-0.1 2,-0.4 -0.952 31.6-119.8-142.7 157.2 45.1 24.2 17.4 19 19 A K E -A 25 0A 138 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.770 37.4-137.8 -90.9 132.4 43.3 26.0 14.6 20 20 A D > - 0 0 44 4,-3.0 3,-3.4 -2,-0.4 -1,-0.1 -0.281 35.4 -81.1 -86.2-176.6 42.3 23.8 11.7 21 21 A H T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.664 134.0 46.3 -58.0 -15.2 42.5 24.3 8.1 22 22 A E T 3 S- 0 0 67 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.327 124.2-101.2-107.4 4.1 39.3 26.3 8.3 23 23 A G S < S+ 0 0 26 -3,-3.4 2,-0.3 1,-0.3 -2,-0.1 0.705 78.7 136.0 82.3 20.4 40.4 28.3 11.3 24 24 A Y - 0 0 82 1,-0.0 -4,-3.0 9,-0.0 2,-0.4 -0.785 59.0-109.3-104.1 147.2 38.4 26.2 13.8 25 25 A Y E +AB 19 34A 37 9,-1.0 8,-4.2 11,-0.4 9,-1.2 -0.576 49.3 155.8 -78.0 134.1 39.8 25.1 17.1 26 26 A T E -AB 18 32A 3 -8,-3.7 -8,-2.6 -2,-0.4 2,-0.3 -0.909 16.5-176.2-147.8 167.7 40.5 21.4 17.4 27 27 A I E > + B 0 31A 0 4,-2.3 4,-2.2 -2,-0.3 -12,-0.2 -0.956 49.3 17.2-158.8 173.8 42.6 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.3 -2,-0.3 2,-1.0 -0.369 121.4 -12.9 64.2-136.4 43.5 15.5 19.6 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.735 127.1 -49.2-102.2 76.6 42.7 13.4 16.7 30 30 A G T 4 S+ 0 0 17 -2,-1.0 2,-0.8 -19,-0.5 -2,-0.2 0.757 85.8 156.7 70.0 26.2 40.5 15.7 14.8 31 31 A H E < -B 27 0A 35 -4,-2.2 -4,-2.3 -20,-0.1 2,-0.3 -0.743 34.6-143.9 -87.6 114.1 38.2 16.6 17.7 32 32 A L E -B 26 0A 76 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.579 16.5-173.7 -74.9 132.4 36.6 20.0 16.9 33 33 A L E - 0 0 15 -8,-4.2 2,-0.3 1,-0.4 -7,-0.2 0.918 59.5 -31.9 -91.6 -51.0 36.2 22.1 19.8 34 34 A T E -B 25 0A 32 -9,-1.2 -9,-1.0 2,-0.1 -1,-0.4 -0.979 37.3-133.3-160.0 161.3 34.2 25.0 18.5 35 35 A K S S+ 0 0 136 -2,-0.3 -9,-0.0 -11,-0.2 -1,-0.0 0.282 75.5 111.4-102.7 8.1 33.8 27.0 15.4 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.434 72.6-131.0 -84.0 153.8 34.0 30.1 17.4 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.702 77.9 103.5 -71.5 -24.7 36.9 32.7 17.3 38 38 A S > - 0 0 54 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.511 53.8-165.9 -70.2 115.4 37.1 32.8 21.1 39 39 A L H > S+ 0 0 72 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.767 93.1 57.3 -67.1 -20.6 40.1 30.9 22.2 40 40 A N H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.945 101.6 53.9 -75.0 -40.7 38.5 31.0 25.6 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 109.3 47.9 -54.8 -46.5 35.5 29.4 24.3 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.917 109.9 53.0 -63.4 -41.1 37.6 26.5 22.9 43 43 A K H X S+ 0 0 50 -4,-2.2 4,-2.7 1,-0.2 11,-0.2 0.956 110.1 49.1 -57.7 -44.5 39.5 26.2 26.3 44 44 A S H X S+ 0 0 65 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.908 109.2 50.2 -63.8 -43.7 36.2 25.9 28.1 45 45 A E H X S+ 0 0 66 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.974 111.8 50.8 -60.5 -44.9 34.8 23.3 25.7 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.901 109.9 46.7 -56.1 -47.0 37.9 21.4 26.2 47 47 A D H X>S+ 0 0 41 -4,-2.7 4,-3.2 1,-0.2 5,-0.8 0.938 112.0 52.6 -63.6 -43.5 37.8 21.5 30.0 48 48 A K H <5S+ 0 0 144 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.895 113.0 44.7 -53.5 -44.1 34.2 20.5 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.878 121.1 35.9 -70.1 -43.4 35.1 17.5 27.6 50 50 A I H <5S- 0 0 39 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.801 101.4-126.9 -82.9 -34.8 38.1 16.3 29.6 51 51 A G T <5S+ 0 0 68 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.724 73.7 78.1 93.1 24.9 36.9 17.1 33.1 52 52 A R S - 0 0 6 -2,-1.3 3,-1.6 -11,-0.2 -1,-0.2 0.713 31.1-148.8 -89.2 -26.0 43.6 21.7 30.8 55 55 A N T 3 S- 0 0 107 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.866 73.5 -59.4 58.5 28.8 44.9 25.0 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.608 116.1 101.0 76.9 13.4 44.7 23.8 26.2 57 57 A V B < -C 16 0B 63 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.984 47.1-176.5-133.0 134.5 46.9 20.9 26.6 58 58 A I - 0 0 6 -43,-3.0 2,-0.2 -2,-0.4 -30,-0.1 -0.854 25.1-108.3-129.3 172.6 46.0 17.3 26.9 59 59 A T > - 0 0 62 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.476 30.8-115.1 -90.7 155.6 47.5 14.0 27.4 60 60 A K H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 118.0 49.7 -60.3 -40.2 47.7 11.2 24.8 61 61 A D H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.891 110.1 50.7 -64.2 -41.7 45.4 8.9 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.952 110.1 51.5 -59.4 -47.2 43.0 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 -34,-0.4 0.892 109.2 49.2 -55.4 -47.1 43.3 12.3 23.2 64 64 A E H X S+ 0 0 80 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.776 107.2 56.3 -69.3 -21.2 42.6 8.7 22.6 65 65 A K H X S+ 0 0 137 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.902 106.3 47.3 -78.1 -37.6 39.6 8.8 24.8 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.862 110.8 56.8 -65.1 -32.2 38.0 11.6 22.9 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-3.4 -5,-0.2 5,-0.3 0.932 105.5 47.5 -61.7 -49.3 38.8 9.6 19.8 68 68 A N H X S+ 0 0 88 -4,-1.9 4,-3.5 1,-0.2 5,-0.2 0.927 113.4 48.7 -58.7 -43.6 36.9 6.5 20.9 69 69 A Q H X S+ 0 0 99 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.871 113.4 47.3 -61.6 -44.1 33.9 8.6 21.9 70 70 A D H X S+ 0 0 35 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.936 112.9 46.8 -64.8 -48.5 34.1 10.4 18.6 71 71 A V H X S+ 0 0 9 -4,-3.4 4,-1.8 1,-0.2 3,-0.5 0.970 112.8 51.9 -58.9 -49.2 34.4 7.1 16.6 72 72 A D H X S+ 0 0 83 -4,-3.5 4,-2.0 -5,-0.3 -1,-0.2 0.915 109.3 49.6 -48.7 -45.0 31.6 5.7 18.7 73 73 A A H X S+ 0 0 44 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.853 104.3 57.4 -65.0 -38.0 29.3 8.7 17.9 74 74 A A H X S+ 0 0 8 -4,-1.8 4,-1.9 -3,-0.5 -1,-0.2 0.945 108.4 47.7 -59.9 -50.8 29.9 8.6 14.2 75 75 A V H X S+ 0 0 35 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.918 109.9 51.3 -58.0 -44.7 28.6 5.0 14.0 76 76 A R H X S+ 0 0 129 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.928 108.0 53.4 -58.5 -42.8 25.6 5.8 16.1 77 77 A G H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.862 108.6 49.7 -57.6 -40.4 24.8 8.6 13.8 78 78 A I H < S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 7,-0.3 0.947 111.7 47.5 -63.8 -51.2 25.0 6.2 10.9 79 79 A L H < S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.751 112.1 50.8 -63.1 -29.6 22.7 3.7 12.6 80 80 A R H < S+ 0 0 162 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.2 0.673 91.9 91.1 -77.0 -30.9 20.2 6.4 13.5 81 81 A N X - 0 0 23 -4,-1.1 4,-3.0 -3,-0.5 28,-0.0 -0.623 64.8-152.2 -82.3 125.2 20.0 7.9 10.0 82 82 A A T 4 S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.722 98.8 41.8 -60.2 -25.5 17.3 6.5 7.7 83 83 A K T 4 S+ 0 0 95 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.733 118.5 43.0 -93.9 -30.4 19.5 7.3 4.6 84 84 A L T > S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 3,-0.4 0.830 102.9 64.9 -86.5 -40.4 22.8 6.2 6.0 85 85 A K H X S+ 0 0 91 -4,-3.0 4,-3.0 -7,-0.3 5,-0.2 0.902 100.0 49.0 -51.4 -53.2 21.8 3.0 7.6 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.862 113.9 46.1 -62.1 -30.3 20.8 1.1 4.5 87 87 A V H > S+ 0 0 0 -4,-0.4 4,-0.9 -3,-0.4 -2,-0.2 0.889 111.1 51.9 -76.1 -43.3 23.9 2.0 2.7 88 88 A Y H >< S+ 0 0 38 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.961 109.9 50.8 -55.4 -47.7 26.1 1.1 5.6 89 89 A D H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.7 53.6 -62.5 -28.5 24.4 -2.2 5.8 90 90 A S H 3< S+ 0 0 35 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.658 96.5 88.1 -83.4 -13.2 24.9 -3.0 2.2 91 91 A L S << S- 0 0 7 -3,-1.2 2,-0.2 -4,-0.9 31,-0.0 -0.349 73.5-119.7 -85.1 166.8 28.6 -2.4 2.3 92 92 A D > - 0 0 57 -2,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.505 42.7 -88.4 -95.7 171.6 31.5 -4.6 3.1 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.823 122.2 45.0 -52.8 -47.2 34.0 -4.0 5.9 94 94 A V H > S+ 0 0 24 62,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.949 114.8 47.4 -68.7 -44.4 36.5 -1.8 4.2 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.836 105.4 60.5 -65.0 -30.2 33.9 0.3 2.5 96 96 A R H X S+ 0 0 75 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.902 102.5 53.0 -62.7 -37.1 32.0 0.7 5.8 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.862 104.5 55.0 -65.8 -34.7 35.1 2.3 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.901 108.6 48.4 -67.0 -35.6 35.2 4.7 4.5 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.923 110.7 50.8 -68.8 -42.0 31.7 5.8 5.3 100 100 A I H X S+ 0 0 10 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.962 105.9 55.7 -57.4 -50.8 32.5 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 5,-0.2 0.927 110.4 45.7 -47.9 -47.8 35.5 8.3 8.1 102 102 A M H X S+ 0 0 4 -4,-1.7 4,-3.0 2,-0.2 5,-0.4 0.947 112.5 48.9 -65.2 -44.8 33.3 10.6 6.2 103 103 A V H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.946 111.3 52.5 -60.4 -40.9 30.6 10.7 9.0 104 104 A F H < S+ 0 0 28 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.8 39.7 -59.0 -46.8 33.3 11.4 11.5 105 105 A Q H < S+ 0 0 44 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.888 132.6 18.4 -76.3 -39.1 34.7 14.3 9.6 106 106 A M H X S- 0 0 55 -4,-3.0 4,-0.5 -5,-0.2 -3,-0.2 0.496 105.8-107.9-118.6 2.9 31.6 15.9 8.4 107 107 A G H X - 0 0 29 -4,-2.8 4,-2.3 -5,-0.4 -1,-0.2 0.015 28.5 -85.9 90.3 151.3 28.8 14.7 10.4 108 108 A E H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.841 126.8 48.0 -65.4 -42.4 25.9 12.5 9.9 109 109 A T H 4 S+ 0 0 113 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.848 109.4 50.9 -74.2 -31.7 23.9 15.2 8.5 110 110 A G H >< S+ 0 0 32 -4,-0.5 3,-0.5 1,-0.2 -2,-0.2 0.931 113.6 47.0 -72.1 -39.7 26.5 16.5 6.1 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.878 103.4 59.5 -67.8 -38.4 27.0 13.0 4.8 112 112 A A T 3< S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.714 94.8 70.1 -65.4 -12.5 23.3 12.2 4.4 113 113 A G T < S+ 0 0 55 -3,-0.5 2,-1.3 -4,-0.5 -1,-0.3 0.648 73.0 84.6 -79.7 -8.3 23.2 15.2 2.1 114 114 A F <> + 0 0 45 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.465 57.1 162.6 -92.7 59.2 25.2 13.4 -0.7 115 115 A T H > + 0 0 59 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.850 68.1 45.9 -45.8 -54.3 22.0 11.8 -2.0 116 116 A N H > S+ 0 0 78 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.955 112.1 47.9 -64.2 -49.8 23.4 10.8 -5.3 117 117 A S H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.903 111.5 53.7 -57.5 -38.2 26.7 9.3 -4.1 118 118 A L H X S+ 0 0 10 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.913 107.6 49.5 -63.3 -43.6 24.8 7.3 -1.5 119 119 A R H X S+ 0 0 116 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.985 111.7 48.5 -58.2 -48.5 22.5 5.9 -4.1 120 120 A M H <>S+ 0 0 37 -4,-2.3 5,-2.7 1,-0.3 -1,-0.2 0.809 111.8 49.4 -60.0 -33.8 25.4 4.9 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-1.8 3,-2.0 -5,-0.2 -1,-0.3 0.935 106.8 54.4 -71.0 -48.0 27.1 3.3 -3.4 122 122 A Q H 3<5S+ 0 0 92 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 112.6 44.9 -52.1 -35.9 24.1 1.4 -2.5 123 123 A Q T 3<5S- 0 0 104 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.413 113.1-119.1 -90.2 2.3 24.0 0.0 -6.1 124 124 A K T < 5 + 0 0 106 -3,-2.0 2,-2.4 -5,-0.2 3,-0.2 0.695 60.9 152.0 72.4 20.9 27.7 -0.7 -6.0 125 125 A R >< + 0 0 116 -5,-2.7 4,-2.5 1,-0.2 5,-0.3 -0.434 16.6 169.3 -82.7 66.8 28.3 1.7 -8.9 126 126 A W H > + 0 0 47 -2,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.830 66.7 49.1 -49.3 -51.7 31.9 2.3 -7.5 127 127 A D H > S+ 0 0 115 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.955 116.2 42.2 -61.1 -47.4 33.3 4.1 -10.4 128 128 A E H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.823 109.9 56.4 -69.3 -33.7 30.5 6.6 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.941 107.7 50.3 -65.2 -38.3 30.1 7.1 -7.0 130 130 A A H X S+ 0 0 8 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.907 109.1 49.5 -66.6 -36.1 33.7 8.1 -6.9 131 131 A V H < S+ 0 0 97 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.934 113.8 48.1 -67.1 -41.2 33.3 10.6 -9.7 132 132 A N H >< S+ 0 0 43 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.912 106.7 54.7 -66.5 -42.0 30.3 12.0 -8.0 133 133 A L H 3< S+ 0 0 3 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.836 101.7 60.2 -58.2 -34.9 32.0 12.3 -4.6 134 134 A A T 3< S+ 0 0 29 -4,-1.4 2,-1.6 -5,-0.2 -1,-0.2 0.640 84.6 80.1 -73.9 -11.4 34.8 14.3 -6.1 135 135 A K S < S+ 0 0 164 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.496 80.6 95.5 -92.9 65.4 32.5 17.0 -7.2 136 136 A S S > S- 0 0 19 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.990 85.7-115.1-145.1 170.5 32.2 18.6 -3.9 137 137 A R H > S+ 0 0 155 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.926 114.1 64.2 -69.1 -37.1 33.5 21.2 -1.7 138 138 A W H > S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 8,-0.2 0.935 106.2 40.1 -44.1 -60.6 34.7 18.4 0.5 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 3,-0.4 2,-0.2 -1,-0.2 0.949 114.4 53.0 -53.3 -57.7 37.2 17.0 -2.0 140 140 A N H < S+ 0 0 106 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.800 115.4 40.9 -57.5 -30.9 38.3 20.5 -3.2 141 141 A Q H < S+ 0 0 82 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.698 128.2 32.4 -91.3 -19.0 39.1 21.5 0.4 142 142 A H X + 0 0 33 -4,-1.5 4,-2.9 -3,-0.4 5,-0.3 -0.457 70.0 159.7-135.8 63.0 40.6 18.1 1.2 143 143 A P H > S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.914 74.0 41.8 -51.7 -51.4 42.2 16.8 -1.9 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.954 120.8 38.4 -68.4 -48.6 44.5 14.4 -0.4 145 145 A R H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.941 113.4 54.5 -66.5 -50.6 42.3 12.9 2.2 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.892 106.6 55.0 -50.9 -38.6 39.3 12.9 0.1 147 147 A K H X S+ 0 0 92 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.922 105.7 50.6 -64.7 -42.1 41.3 10.9 -2.5 148 148 A R H X S+ 0 0 70 -4,-1.7 4,-1.7 1,-0.2 12,-0.2 0.913 115.0 44.2 -59.9 -41.0 42.2 8.2 -0.0 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.938 113.0 48.2 -68.0 -49.6 38.6 7.8 1.0 150 150 A I H X S+ 0 0 10 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.890 113.0 51.4 -56.4 -40.9 37.1 7.9 -2.5 151 151 A T H X S+ 0 0 39 -4,-2.2 4,-3.0 -5,-0.3 5,-0.5 0.895 106.5 53.1 -62.5 -41.8 39.7 5.4 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.3 -1,-0.2 0.933 109.1 49.8 -63.9 -38.0 38.8 3.2 -0.7 153 153 A F H < S+ 0 0 3 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.865 112.9 47.5 -65.9 -35.0 35.3 3.3 -1.8 154 154 A R H < S+ 0 0 100 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.895 123.9 26.9 -72.4 -44.4 36.3 2.4 -5.2 155 155 A T H < S- 0 0 57 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.692 84.4-139.8 -90.8 -30.2 38.6 -0.5 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 -5,-0.5 -62,-0.2 0.787 70.2 106.9 70.5 22.2 37.3 -1.8 -1.3 157 157 A T S S- 0 0 44 -6,-0.3 3,-0.5 -5,-0.2 -1,-0.3 -0.872 79.7-121.5-127.2 161.2 41.0 -2.3 -0.2 158 158 A W S > S+ 0 0 42 -2,-0.3 3,-2.7 1,-0.2 4,-0.2 0.272 75.0 119.2 -88.4 12.5 43.3 -0.4 2.2 159 159 A D G > + 0 0 96 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.797 65.6 58.9 -49.4 -38.3 45.8 0.4 -0.6 160 160 A A G 3 S+ 0 0 29 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.575 106.6 53.3 -69.6 -7.1 45.4 4.2 -0.2 161 161 A Y G < 0 0 18 -3,-2.7 -1,-0.3 -13,-0.1 -2,-0.2 0.391 360.0 360.0-110.8 9.3 46.5 3.7 3.2 162 162 A K < 0 0 184 -3,-1.7 -3,-0.0 -4,-0.2 0, 0.0 -0.359 360.0 360.0-119.7 360.0 49.8 1.7 2.6