==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-99 1QSB . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.LIU,W.A.BAASE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8746.0 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 . 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 . 84 51.9 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 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.7 43.4 -1.8 9.1 2 2 A N > - 0 0 70 95,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.912 360.0 -81.8-154.4 173.3 40.1 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.855 124.7 52.9 -53.7 -39.2 38.1 2.4 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 113.0 41.7 -66.3 -47.4 40.2 3.6 14.2 5 5 A E H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.897 114.1 54.9 -64.4 -37.1 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.943 112.1 40.6 -61.2 -50.9 41.8 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.841 109.6 60.3 -69.9 -28.3 40.6 7.9 10.9 8 8 A R H X S+ 0 0 97 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.885 108.4 45.8 -65.2 -34.0 43.8 8.3 12.8 9 9 A I H < S+ 0 0 86 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.920 116.8 43.2 -72.0 -47.3 45.6 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.838 124.6 32.4 -68.6 -32.2 43.1 11.0 8.0 11 11 A E H < S- 0 0 43 -4,-2.6 19,-0.3 -5,-0.2 -1,-0.2 0.678 91.3-149.8 -99.9 -24.6 42.8 13.2 11.0 12 12 A G < - 0 0 25 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.1 -0.219 23.8 -90.6 78.9-178.2 46.2 13.1 12.7 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.953 43.0 171.0-138.2 115.7 46.7 13.6 16.5 14 14 A R E -A 28 0A 147 14,-1.8 14,-2.2 -2,-0.4 4,-0.1 -1.000 19.5-162.7-130.5 130.6 47.2 17.0 18.1 15 15 A L E S+ 0 0 53 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.406 73.6 61.3 -91.4 -0.8 47.3 17.6 21.9 16 16 A K E S-C 57 0B 124 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.925 102.1 -85.6-122.4 150.7 46.8 21.4 21.9 17 17 A I E + 0 0 30 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.178 58.9 171.1 -49.9 141.6 43.8 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-3.1 8,-2.7 -4,-0.1 2,-0.5 -0.911 35.1-102.1-144.6 174.4 44.2 23.8 16.8 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.864 33.4-140.6-104.1 135.8 42.3 25.0 13.8 20 20 A D > - 0 0 49 4,-2.6 3,-1.7 -2,-0.5 -1,-0.1 -0.059 42.0 -79.2 -78.5-171.4 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.697 134.4 48.5 -65.6 -20.7 40.9 22.9 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.357 122.9-106.3 -95.7 3.9 37.7 25.1 7.8 23 23 A G S < S+ 0 0 37 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.627 74.2 141.2 80.4 19.3 39.4 27.2 10.5 24 24 A Y - 0 0 75 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.740 60.2-102.1 -95.0 144.4 37.2 25.7 13.5 25 25 A Y E +AB 19 34A 38 9,-0.7 8,-2.7 11,-0.4 9,-1.3 -0.444 53.6 161.9 -67.5 131.5 38.8 25.0 16.8 26 26 A T E -AB 18 32A 3 -8,-2.7 -8,-3.1 6,-0.3 2,-0.3 -0.881 19.0-163.9-143.3 166.2 39.5 21.2 17.3 27 27 A I E > - B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 2,-0.2 -0.980 52.4 -0.1-150.6 160.8 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.8 -2,-0.3 2,-1.0 -0.422 121.7 -2.7 72.4-132.2 42.9 15.5 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.645 127.6 -54.9 -97.7 66.6 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.2 -19,-0.3 -2,-0.2 0.759 84.1 160.4 72.9 23.3 39.7 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.5 1,-0.0 -1,-0.2 -0.627 32.8-143.3 -87.2 102.7 37.4 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.327 18.9-176.4 -63.0 133.6 35.6 19.5 16.7 33 33 A L E - 0 0 16 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.880 58.4 -28.6 -97.7 -44.7 35.1 21.8 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.963 35.0-134.5-168.4 156.3 33.1 24.7 18.3 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.491 74.1 111.9 -95.4 -4.3 32.5 26.7 15.2 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.350 72.7-130.5 -74.5 144.3 32.8 29.9 17.1 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.581 76.3 104.1 -71.5 -10.7 35.6 32.2 16.5 38 38 A S > - 0 0 54 1,-0.2 4,-2.1 2,-0.0 5,-0.1 -0.611 55.2-161.1 -84.9 127.3 36.4 32.5 20.1 39 39 A L H > S+ 0 0 61 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.847 97.1 56.0 -68.8 -28.9 39.3 30.7 21.6 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 104.4 50.0 -70.6 -39.9 37.7 31.1 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.925 111.5 52.1 -60.5 -39.7 34.5 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.933 109.2 48.7 -60.4 -46.8 36.8 26.6 22.5 43 43 A K H X S+ 0 0 62 -4,-2.5 4,-2.2 1,-0.2 11,-0.2 0.914 111.2 50.3 -63.2 -37.2 38.6 26.3 25.9 44 44 A S H X S+ 0 0 70 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.899 110.5 48.3 -70.3 -39.6 35.3 26.1 27.7 45 45 A E H X S+ 0 0 67 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.892 110.7 52.9 -68.2 -35.3 34.0 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.943 108.7 47.3 -67.1 -41.3 37.2 21.5 25.9 47 47 A D H X>S+ 0 0 35 -4,-2.2 4,-2.7 1,-0.2 5,-1.3 0.915 112.2 51.7 -63.2 -40.4 37.1 21.5 29.8 48 48 A K H <5S+ 0 0 139 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 111.5 47.0 -63.9 -36.6 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 122.0 35.4 -74.1 -36.6 34.3 17.6 27.3 50 50 A I H <5S- 0 0 33 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.675 103.1-127.1 -90.2 -25.7 37.2 16.4 29.4 51 51 A G T <5S+ 0 0 64 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.847 75.9 66.4 87.2 26.6 35.9 17.2 32.8 52 52 A R S - 0 0 8 -2,-0.9 3,-1.2 -11,-0.2 -1,-0.2 0.688 34.8-141.4 -97.2 -20.6 42.8 21.8 30.8 55 55 A N T 3 S- 0 0 126 1,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.875 73.4 -58.2 61.0 34.1 44.0 25.1 29.7 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.527 117.3 99.7 72.7 13.0 43.8 23.9 26.0 57 57 A V B < -C 16 0B 64 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.988 46.4-179.0-129.2 138.2 46.0 20.9 26.4 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.815 25.3-111.8-129.7 169.8 45.1 17.2 26.8 59 59 A T > - 0 0 64 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.547 33.4-105.7 -97.3 173.2 46.9 14.0 27.2 60 60 A K H > S+ 0 0 100 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.899 120.0 51.9 -63.2 -41.0 47.1 11.2 24.7 61 61 A D H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.889 108.8 50.8 -62.1 -38.8 44.8 9.0 26.7 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 109.6 50.8 -67.0 -41.9 42.2 11.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.919 110.6 50.3 -60.7 -39.2 42.4 12.3 23.1 64 64 A E H X S+ 0 0 74 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.847 108.0 52.9 -68.2 -30.1 41.9 8.6 22.6 65 65 A K H X S+ 0 0 139 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.956 108.5 47.5 -73.7 -42.1 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.918 112.2 54.1 -60.7 -35.2 37.2 11.5 22.9 67 67 A F H X S+ 0 0 11 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.950 106.0 49.4 -64.1 -48.2 38.0 9.5 19.8 68 68 A N H X S+ 0 0 86 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.924 112.9 48.1 -55.5 -42.6 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.917 111.3 49.9 -66.1 -41.5 33.3 8.3 21.9 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.874 111.1 48.8 -65.5 -36.1 33.2 10.2 18.6 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.944 112.1 49.5 -67.4 -44.5 33.5 6.9 16.5 72 72 A D H X S+ 0 0 101 -4,-2.2 4,-2.4 -5,-0.3 5,-0.3 0.958 111.4 48.3 -58.4 -47.1 30.8 5.4 18.6 73 73 A A H X S+ 0 0 55 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.898 108.2 54.7 -60.8 -41.0 28.5 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.968 109.9 47.0 -58.6 -48.7 29.2 8.4 14.3 75 75 A V H X S+ 0 0 30 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.938 114.0 47.4 -57.0 -46.3 28.1 4.7 14.1 76 76 A R H X S+ 0 0 148 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.898 108.4 54.3 -68.7 -33.3 25.0 5.3 16.1 77 77 A G H X S+ 0 0 4 -4,-2.8 4,-0.8 -5,-0.3 -1,-0.2 0.940 110.3 47.7 -62.5 -45.5 24.1 8.4 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 7,-0.4 0.958 111.0 51.1 -57.9 -49.6 24.3 6.3 11.0 79 79 A L H 3< S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 112.4 46.8 -64.9 -22.8 22.1 3.5 12.5 80 80 A R H 3< S+ 0 0 173 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.515 91.7 93.6 -93.0 -11.7 19.5 6.0 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.4 0.883 100.3 66.3 -87.4 -41.7 21.9 6.2 6.1 85 85 A K H X S+ 0 0 89 -4,-2.8 4,-3.3 -7,-0.4 5,-0.2 0.905 97.7 51.7 -49.6 -49.4 21.0 3.0 7.7 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.901 112.7 48.4 -59.9 -32.9 19.9 1.0 4.6 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.4 3,-0.3 0.965 110.8 47.8 -71.6 -46.9 23.1 1.9 2.9 88 88 A Y H >< S+ 0 0 31 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.925 110.7 51.7 -60.7 -43.0 25.3 1.0 5.6 89 89 A D H 3< S+ 0 0 73 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.833 106.3 55.6 -68.3 -24.3 23.5 -2.3 6.1 90 90 A S H 3< S+ 0 0 40 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.646 96.9 87.3 -79.1 -14.0 23.9 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-1.0 2,-0.1 -4,-0.9 31,-0.0 -0.509 75.8-116.0 -88.2 158.8 27.7 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.236 44.1 -91.5 -77.9 169.5 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.861 122.0 47.8 -57.3 -41.8 33.0 -4.3 6.1 94 94 A V H > S+ 0 0 24 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.962 114.1 46.5 -66.5 -45.4 35.5 -2.1 4.4 95 95 A R H > S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.858 104.6 59.8 -67.7 -33.7 33.0 0.1 2.8 96 96 A R H X S+ 0 0 84 -4,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.922 101.6 56.3 -58.3 -36.3 31.0 0.5 5.9 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.882 102.9 56.7 -62.7 -32.0 34.2 2.0 7.4 98 98 A C H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.896 105.9 47.9 -62.9 -42.2 34.1 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.897 109.4 53.4 -68.0 -33.4 30.7 5.7 5.4 100 100 A I H X S+ 0 0 10 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.959 108.1 52.4 -67.1 -40.9 31.7 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.935 108.7 48.0 -59.7 -45.2 34.7 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.934 114.0 47.4 -62.8 -40.2 32.5 10.6 6.0 103 103 A V H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.933 109.6 53.0 -68.2 -36.8 30.0 10.9 8.8 104 104 A F H < S+ 0 0 32 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.923 117.0 40.2 -64.9 -38.5 32.8 11.6 11.3 105 105 A Q H < S+ 0 0 59 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.886 134.1 14.1 -75.3 -45.1 34.1 14.3 9.0 106 106 A M H X S- 0 0 54 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.496 102.5-111.6-118.7 1.5 31.0 16.0 7.9 107 107 A G H X - 0 0 32 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.197 33.3 -79.9 80.3 156.5 28.1 14.9 10.1 108 108 A E H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.831 128.5 52.8 -51.9 -48.2 25.1 12.8 9.5 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.940 109.3 47.8 -60.8 -47.4 23.3 15.6 7.9 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.9 1,-0.2 4,-0.2 0.915 114.1 45.3 -62.0 -49.5 26.0 16.3 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.3 -1,-0.2 0.902 106.3 60.2 -66.5 -35.0 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 18 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.756 93.7 67.4 -67.7 -14.0 22.7 12.2 4.1 113 113 A G T << S+ 0 0 56 -3,-0.9 2,-1.3 -4,-0.8 3,-0.3 0.600 75.9 85.8 -78.3 -8.5 22.6 14.9 1.5 114 114 A F <> + 0 0 39 -3,-2.2 4,-2.6 -4,-0.2 3,-0.3 -0.244 55.3 155.9 -83.9 52.7 24.6 12.8 -1.0 115 115 A T H > + 0 0 76 -2,-1.3 4,-2.0 1,-0.3 -1,-0.2 0.861 65.7 47.4 -50.2 -49.6 21.4 11.2 -2.2 116 116 A N H > S+ 0 0 73 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.917 113.3 47.1 -64.7 -38.0 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.895 109.8 55.3 -68.1 -35.1 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.924 106.9 49.1 -60.2 -46.2 24.0 6.8 -1.6 119 119 A R H X S+ 0 0 126 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.913 111.5 50.2 -61.5 -40.1 21.7 5.2 -4.1 120 120 A M H <>S+ 0 0 38 -4,-2.1 5,-2.2 1,-0.2 4,-0.5 0.892 110.4 48.8 -69.9 -34.7 24.6 4.2 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.941 108.7 53.6 -71.6 -36.5 26.5 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.882 109.5 48.6 -61.6 -32.4 23.4 0.8 -2.4 123 123 A Q T 3<5S- 0 0 93 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.575 113.6-120.7 -83.0 -6.2 23.2 -0.6 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.6 2,-1.4 -4,-0.5 -3,-0.2 0.750 61.8 147.8 70.4 31.2 26.9 -1.6 -5.8 125 125 A R >< + 0 0 111 -5,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.681 20.9 174.5 -96.4 77.2 27.7 0.6 -8.8 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.868 68.0 43.1 -58.1 -49.9 31.2 1.4 -7.6 127 127 A D H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 115.3 51.1 -69.0 -33.6 32.7 3.4 -10.4 128 128 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 110.6 47.3 -68.5 -41.1 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.901 108.8 56.5 -63.9 -39.7 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.909 108.4 47.1 -60.2 -41.5 33.1 7.2 -7.2 131 131 A V H < S+ 0 0 92 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.925 113.7 46.7 -67.8 -42.3 32.5 9.7 -10.0 132 132 A N H >< S+ 0 0 38 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.889 108.0 56.1 -68.8 -36.8 29.4 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.3 -1,-0.2 0.867 101.3 59.5 -64.0 -28.5 31.2 11.5 -4.9 134 134 A A T 3< S+ 0 0 28 -4,-1.2 2,-1.6 -5,-0.3 -1,-0.3 0.682 86.8 78.3 -73.6 -14.7 34.0 13.5 -6.5 135 135 A K S < S+ 0 0 158 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.563 81.3 96.9 -92.3 70.5 31.5 16.2 -7.7 136 136 A S S > S- 0 0 16 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.996 85.7-115.5-152.7 156.9 31.3 17.8 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.907 114.6 62.4 -60.9 -37.3 32.7 20.5 -2.3 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.945 105.7 45.4 -50.9 -48.4 34.2 17.8 0.0 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.5 45.9 -65.6 -42.8 36.3 16.5 -2.8 140 140 A N H < S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.813 117.3 43.8 -72.0 -30.9 37.5 20.0 -3.9 141 141 A Q H < S+ 0 0 103 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.887 132.1 17.6 -82.9 -41.7 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 -0.591 74.1 162.0-126.2 73.4 40.1 18.1 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.871 68.0 54.4 -61.8 -40.4 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.959 115.5 38.6 -62.6 -45.5 43.8 13.9 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 116.2 51.5 -68.9 -45.7 41.6 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -8,-0.2 5,-0.3 0.928 108.1 53.8 -60.3 -38.8 38.5 12.4 -0.3 147 147 A K H X S+ 0 0 90 -4,-2.9 4,-2.5 -5,-0.2 5,-0.3 0.923 107.6 50.9 -61.6 -40.9 40.5 10.5 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.959 114.2 42.6 -63.2 -44.2 41.5 7.9 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.937 114.4 50.6 -66.3 -42.3 37.9 7.3 0.8 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.922 110.7 49.0 -62.0 -43.9 36.5 7.3 -2.7 151 151 A T H X S+ 0 0 52 -4,-2.5 4,-2.4 -5,-0.3 6,-0.3 0.861 110.1 52.6 -64.7 -32.7 39.2 4.7 -3.9 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.867 109.4 47.8 -73.1 -38.4 38.3 2.6 -0.9 153 153 A F H < S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 113.9 50.3 -69.1 -33.0 34.6 2.7 -1.8 154 154 A R H < S+ 0 0 102 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 123.4 25.0 -70.2 -40.7 35.6 1.8 -5.4 155 155 A T H < S- 0 0 52 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.626 85.4-138.4-101.8 -17.8 37.8 -1.2 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 1,-0.2 -62,-0.2 0.647 71.3 101.3 70.1 15.1 36.6 -2.5 -1.4 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.2 -0.771 79.8-118.6-123.8 174.6 40.3 -3.0 -0.2 158 158 A W S > S+ 0 0 56 -2,-0.2 3,-2.0 1,-0.2 4,-0.3 0.162 71.8 121.6 -98.5 18.9 42.5 -1.0 2.1 159 159 A D G > + 0 0 115 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.883 64.6 58.7 -51.2 -40.3 45.1 -0.2 -0.5 160 160 A A G 3 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.631 100.8 58.6 -66.8 -14.8 44.9 3.6 -0.4 161 161 A Y G < 0 0 15 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.431 360.0 360.0-100.1 14.8 45.8 3.4 3.2 162 162 A K < 0 0 183 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.0 -0.151 360.0 360.0 73.0 360.0 49.1 1.5 2.3