==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-91 1L71 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR X.ZHANG,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 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 0 1 2 1 0 0 1 1 0 0 0 0 0 0 2 0 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, 0.0 161,-0.0 0.000 360.0 360.0 360.0 133.0 43.9 -1.9 8.8 2 2 A N > - 0 0 67 95,-0.0 4,-2.7 1,-0.0 5,-0.2 -0.828 360.0 -87.9-136.2 175.6 40.8 -0.8 10.8 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.837 124.6 51.5 -55.2 -39.1 38.6 2.3 11.1 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 112.1 44.5 -66.8 -44.3 40.8 3.6 13.9 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.907 113.5 52.4 -67.2 -39.5 44.0 3.3 12.0 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.873 112.8 42.6 -61.2 -46.3 42.3 4.7 8.9 7 7 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.880 108.2 59.2 -70.4 -37.3 41.0 7.8 10.7 8 8 A R H X S+ 0 0 109 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.872 108.6 47.5 -58.9 -34.9 44.3 8.4 12.6 9 9 A I H < S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.1 42.7 -72.2 -43.4 45.9 8.6 9.1 10 10 A D H < S+ 0 0 19 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.708 125.2 31.2 -75.7 -26.1 43.4 11.0 7.8 11 11 A E H < S- 0 0 40 -4,-2.4 19,-0.3 -5,-0.1 -3,-0.2 0.741 90.5-146.4-107.0 -30.7 43.1 13.3 10.9 12 12 A G < - 0 0 25 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.188 22.0 -89.7 85.7 175.5 46.5 13.3 12.6 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.999 42.6 172.8-127.9 128.3 47.1 13.6 16.3 14 14 A R E -A 28 0A 127 14,-0.8 14,-1.6 -2,-0.4 4,-0.1 -0.983 19.8-165.8-141.3 126.6 47.5 17.0 17.9 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.6 12,-0.1 2,-0.3 0.383 74.1 61.1 -91.3 -0.5 47.8 17.5 21.7 16 16 A K E S-C 57 0B 104 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.975 98.3 -89.2-130.9 143.6 47.2 21.2 21.6 17 17 A I E + 0 0 17 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.114 58.0 164.7 -46.0 145.9 44.1 23.2 20.3 18 18 A Y E -A 26 0A 32 8,-2.4 8,-3.1 -4,-0.1 2,-0.4 -0.926 37.5 -98.7-153.8 175.4 44.4 24.0 16.7 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.887 33.0-134.9-106.9 138.9 42.4 25.1 13.8 20 20 A D > - 0 0 46 4,-3.3 3,-1.7 -2,-0.4 -1,-0.1 -0.115 39.8 -87.0 -77.4 177.2 41.1 22.7 11.2 21 21 A T T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.698 130.1 50.9 -59.8 -19.0 41.2 23.1 7.5 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.402 125.7 -95.6 -97.5 -6.7 37.9 25.1 7.8 23 23 A G S < S+ 0 0 36 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.325 78.5 141.8 105.3 -0.5 39.0 27.5 10.5 24 24 A Y - 0 0 80 -5,-0.1 -4,-3.3 1,-0.1 2,-0.4 -0.482 58.2-112.2 -86.8 146.5 37.6 25.5 13.3 25 25 A Y E +AB 19 34A 32 9,-0.9 8,-3.1 11,-0.3 9,-1.2 -0.587 50.5 164.5 -72.1 120.8 38.9 25.0 16.7 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.3 -0.823 18.3-170.4-135.2 165.2 39.9 21.3 17.0 27 27 A I E > - B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.1 -0.972 50.6 -3.5-154.2 163.8 41.9 19.0 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-1.6 2,-0.8 -2,-0.3 -14,-0.8 -0.198 121.8 -4.8 56.8-122.8 43.3 15.4 19.4 29 29 A I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.559 127.5 -51.5-104.2 72.3 42.2 13.2 16.5 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.795 85.2 156.8 73.0 23.4 39.8 15.3 14.5 31 31 A H E < -B 27 0A 31 -4,-2.1 -4,-1.4 32,-0.0 -1,-0.2 -0.739 34.1-144.6 -89.0 102.6 37.7 16.3 17.6 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.397 17.6-175.9 -64.5 127.9 35.8 19.5 16.7 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.908 56.9 -26.6 -95.1 -44.8 35.4 21.8 19.6 34 34 A T E -B 25 0A 28 -9,-1.2 -9,-0.9 2,-0.1 -1,-0.4 -0.988 35.4-134.8-162.0 161.4 33.4 24.7 18.3 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.0 -11,-0.1 -11,-0.0 0.183 75.3 108.4-105.4 13.8 32.5 26.7 15.3 36 36 A S S S- 0 0 40 2,-0.2 -11,-0.3 1,-0.1 6,-0.1 -0.737 73.1-130.3 -97.3 144.8 32.9 29.9 17.1 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.742 75.4 107.9 -59.4 -26.1 35.8 32.3 16.6 38 38 A S > - 0 0 48 1,-0.2 4,-2.0 2,-0.1 3,-0.5 -0.428 54.2-163.2 -73.0 119.7 36.4 32.5 20.2 39 39 A L H > S+ 0 0 77 -2,-0.7 4,-1.4 1,-0.3 -1,-0.2 0.724 100.5 52.3 -59.2 -22.9 39.6 30.8 21.3 40 40 A N H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.798 100.9 56.2 -84.5 -31.8 37.9 31.1 24.7 41 41 A A H > S+ 0 0 34 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.896 111.9 47.6 -64.3 -32.1 34.7 29.5 23.5 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.793 107.6 52.9 -73.7 -39.2 37.1 26.6 22.5 43 43 A K H X S+ 0 0 51 -4,-1.4 4,-1.5 -5,-0.2 11,-0.3 0.843 111.2 47.7 -70.4 -27.1 39.0 26.5 25.8 44 44 A S H X S+ 0 0 72 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.962 111.7 47.9 -76.0 -49.4 35.7 26.2 27.7 45 45 A E H X S+ 0 0 63 -4,-1.8 4,-3.1 1,-0.3 5,-0.2 0.944 110.5 55.5 -53.1 -50.6 34.3 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 6,-0.3 0.895 108.8 43.6 -53.7 -43.6 37.5 21.7 25.8 47 47 A D H X>S+ 0 0 34 -4,-1.5 4,-2.3 2,-0.2 5,-0.9 0.866 113.4 53.0 -71.2 -30.0 37.5 21.6 29.7 48 48 A K H <5S+ 0 0 149 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.946 110.1 49.0 -63.6 -47.8 33.8 20.6 29.5 49 49 A A H <5S+ 0 0 47 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.847 120.4 34.0 -59.4 -42.2 34.8 17.8 27.2 50 50 A I H <5S- 0 0 38 -4,-1.9 -1,-0.2 2,-0.3 -2,-0.2 0.692 99.1-124.8 -90.6 -30.3 37.7 16.5 29.4 51 51 A G T <5S+ 0 0 69 -4,-2.3 2,-0.3 1,-0.4 -3,-0.2 0.766 80.4 78.2 86.9 21.7 36.4 17.2 32.9 52 52 A R S - 0 0 10 -2,-0.9 3,-0.9 -11,-0.3 -1,-0.2 0.767 31.6-148.5 -97.6 -34.1 43.2 21.9 30.2 55 55 A N T 3 S- 0 0 109 -12,-0.2 -2,-0.1 1,-0.2 -12,-0.1 0.993 76.0 -55.3 52.8 58.3 44.3 25.3 29.2 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 -40,-0.1 2,-0.4 0.504 118.3 100.8 52.6 16.4 44.2 24.1 25.6 57 57 A V B < +C 16 0B 65 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.984 44.9 179.2-132.0 134.7 46.5 21.1 26.1 58 58 A I - 0 0 3 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.875 24.6-113.1-129.3 164.3 45.6 17.5 26.5 59 59 A T > - 0 0 64 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.381 32.6-107.0 -87.9 164.7 47.4 14.1 26.9 60 60 A K H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.902 120.6 51.7 -57.2 -48.3 47.6 11.1 24.5 61 61 A D H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 109.7 50.5 -55.1 -42.6 45.3 9.1 26.6 62 62 A E H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.855 108.5 50.4 -67.7 -40.7 42.8 12.0 26.6 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -34,-0.5 0.825 112.8 49.3 -65.8 -34.7 42.9 12.4 22.8 64 64 A E H X S+ 0 0 77 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.830 106.1 54.7 -72.4 -35.7 42.3 8.6 22.5 65 65 A K H X S+ 0 0 133 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.926 110.1 46.4 -63.2 -43.4 39.4 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.835 110.0 55.6 -66.3 -33.7 37.8 11.4 22.8 67 67 A F H X S+ 0 0 14 -4,-1.3 4,-2.2 1,-0.2 5,-0.3 0.966 105.5 50.3 -67.5 -49.4 38.6 9.3 19.7 68 68 A N H X S+ 0 0 90 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.934 111.3 50.1 -52.3 -46.0 36.8 6.3 21.0 69 69 A Q H X S+ 0 0 93 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.925 111.1 47.4 -59.4 -45.9 33.7 8.4 21.8 70 70 A D H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.839 111.4 48.7 -64.9 -39.8 33.5 10.0 18.4 71 71 A V H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.918 114.0 47.9 -68.2 -42.8 33.9 6.7 16.4 72 72 A D H X S+ 0 0 87 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.941 112.5 49.0 -60.3 -46.1 31.2 5.1 18.6 73 73 A A H X S+ 0 0 43 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.880 110.9 50.3 -59.4 -44.2 29.0 8.2 18.1 74 74 A A H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.970 111.4 47.4 -60.6 -58.2 29.5 8.1 14.4 75 75 A V H X S+ 0 0 36 -4,-2.9 4,-2.4 1,-0.2 3,-0.3 0.952 114.1 47.6 -50.3 -52.3 28.6 4.3 14.2 76 76 A R H X S+ 0 0 113 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.910 109.2 53.8 -59.8 -37.3 25.5 4.8 16.4 77 77 A G H < S+ 0 0 2 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.868 108.6 49.2 -66.1 -32.3 24.3 7.8 14.3 78 78 A I H >< S+ 0 0 0 -4,-1.8 3,-1.5 -3,-0.3 7,-0.6 0.949 111.9 48.4 -69.0 -45.0 24.5 5.8 11.1 79 79 A L H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 114.2 47.4 -67.9 -17.3 22.6 2.9 12.6 80 80 A R T 3< S+ 0 0 169 -4,-1.2 2,-0.5 -5,-0.2 -1,-0.3 0.346 93.2 94.8-101.7 -4.2 20.0 5.3 13.9 81 81 A N <> - 0 0 24 -3,-1.5 4,-2.6 -4,-0.3 -4,-0.0 -0.855 65.1-147.2-102.9 128.2 19.6 7.2 10.7 82 82 A A T 4 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.705 100.3 39.8 -63.9 -23.7 16.9 6.4 8.2 83 83 A K T > S+ 0 0 125 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.784 120.3 41.7 -93.8 -33.6 18.9 7.3 5.3 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.3 2,-0.1 3,-0.5 0.922 100.7 67.4 -81.0 -44.2 22.2 6.0 6.3 85 85 A K H X S+ 0 0 83 -4,-2.6 4,-3.4 -7,-0.6 5,-0.2 0.867 99.6 49.0 -45.4 -51.5 21.3 2.6 7.9 86 86 A P H > S+ 0 0 48 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.908 111.6 50.4 -61.8 -38.9 20.2 0.9 4.7 87 87 A V H X S+ 0 0 2 -4,-0.6 4,-0.7 -3,-0.5 -2,-0.2 0.956 113.2 44.5 -62.6 -49.8 23.3 1.9 2.9 88 88 A Y H >< S+ 0 0 36 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.948 111.2 54.0 -58.7 -48.5 25.6 0.7 5.6 89 89 A D H 3< S+ 0 0 79 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.3 51.6 -56.0 -34.5 23.5 -2.6 5.9 90 90 A S H 3< S+ 0 0 33 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.651 97.8 91.8 -76.4 -16.2 24.0 -3.1 2.2 91 91 A L S << S- 0 0 7 -3,-1.7 31,-0.0 -4,-0.7 30,-0.0 -0.540 71.7-120.7 -89.9 156.9 27.8 -2.7 2.3 92 92 A D > - 0 0 54 -2,-0.2 4,-1.5 1,-0.1 -1,-0.1 -0.083 45.4 -92.5 -75.1 174.1 30.9 -5.0 2.7 93 93 A A H > S+ 0 0 75 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.847 121.2 45.7 -64.9 -35.1 33.2 -4.5 5.6 94 94 A V H >> S+ 0 0 25 62,-0.2 4,-1.2 2,-0.2 3,-1.1 0.958 113.0 48.7 -71.1 -51.0 35.8 -2.2 3.9 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.784 103.7 63.0 -58.5 -29.4 33.3 0.1 2.2 96 96 A R H 3X S+ 0 0 77 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.859 99.0 54.0 -61.6 -40.0 31.5 0.3 5.6 97 97 A C H S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.860 125.7 55.1 -56.4 -45.8 25.3 12.6 9.9 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.917 109.1 46.4 -59.2 -48.5 23.3 15.4 8.5 110 110 A G H >< S+ 0 0 33 -4,-0.8 3,-1.1 1,-0.2 4,-0.5 0.928 113.4 46.7 -61.8 -50.0 25.8 16.3 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.886 105.8 61.0 -61.6 -34.7 26.5 12.8 4.6 112 112 A A H 3< S+ 0 0 13 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.752 95.1 64.8 -66.3 -15.4 22.7 12.2 4.5 113 113 A G T << S+ 0 0 53 -3,-1.1 2,-2.0 -4,-0.8 3,-0.3 0.649 75.3 87.1 -79.0 -16.6 22.6 15.0 2.0 114 114 A F <> + 0 0 44 -3,-1.7 4,-2.1 -4,-0.5 3,-0.3 -0.210 55.7 159.4 -78.1 52.2 24.5 13.1 -0.6 115 115 A T H > + 0 0 83 -2,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.816 66.9 44.2 -42.0 -48.5 21.2 11.5 -1.9 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.910 113.5 48.3 -69.0 -44.4 22.4 10.4 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.815 110.5 52.6 -59.3 -46.0 25.8 9.0 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 3,-0.2 0.922 108.5 51.3 -61.1 -44.0 24.1 7.0 -1.4 119 119 A R H X S+ 0 0 121 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.877 109.4 49.5 -60.3 -40.9 21.7 5.6 -4.0 120 120 A M H <>S+ 0 0 28 -4,-2.0 5,-2.4 2,-0.2 -1,-0.2 0.791 110.0 51.2 -70.9 -30.8 24.5 4.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-1.4 3,-1.9 -3,-0.2 -2,-0.2 0.898 108.6 51.5 -70.5 -43.0 26.4 2.9 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.837 108.8 51.3 -64.2 -28.3 23.3 1.0 -2.4 123 123 A Q T 3<5S- 0 0 83 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.374 112.6-121.3 -89.5 9.1 23.0 -0.2 -6.0 124 124 A K T < 5 + 0 0 100 -3,-1.9 2,-1.1 1,-0.2 -3,-0.2 0.769 63.4 145.3 55.6 34.0 26.7 -1.4 -6.0 125 125 A R >< + 0 0 140 -5,-2.4 4,-2.0 1,-0.2 5,-0.2 -0.667 20.6 174.2-100.4 73.1 27.6 0.9 -8.9 126 126 A W H > + 0 0 48 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.879 70.0 47.5 -47.8 -56.5 31.1 1.7 -7.6 127 127 A D H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 113.6 47.4 -58.2 -46.0 32.5 3.7 -10.6 128 128 A A H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 111.4 49.9 -67.5 -36.9 29.5 6.0 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.884 108.4 53.4 -66.3 -41.0 29.3 6.7 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.873 109.8 49.3 -62.8 -35.3 33.0 7.6 -7.0 131 131 A A H < S+ 0 0 53 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.833 112.9 45.8 -73.0 -35.4 32.4 10.0 -9.8 132 132 A N H >< S+ 0 0 40 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.870 106.5 57.6 -73.7 -41.1 29.4 11.6 -8.1 133 133 A L H 3< S+ 0 0 3 -4,-2.8 6,-0.4 1,-0.2 -2,-0.2 0.889 100.2 61.3 -55.6 -36.5 31.1 11.9 -4.7 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.5 1,-0.2 -1,-0.2 0.694 86.0 77.4 -64.7 -24.4 33.9 14.0 -6.4 135 135 A K S < S+ 0 0 162 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 -0.545 81.0 94.8 -87.2 66.1 31.4 16.6 -7.4 136 136 A S S > S- 0 0 19 -2,-1.5 4,-1.8 1,-0.1 3,-0.2 -0.990 85.0-114.6-152.7 158.6 31.2 18.2 -4.0 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.912 114.6 64.3 -60.7 -39.1 32.6 21.0 -1.9 138 138 A W H > S+ 0 0 18 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.914 105.2 43.3 -46.2 -53.5 34.1 18.2 0.3 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.855 114.4 50.1 -63.1 -41.0 36.3 17.0 -2.5 140 140 A N H < S+ 0 0 109 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.916 114.4 44.3 -68.0 -39.2 37.3 20.5 -3.5 141 141 A Q H < S+ 0 0 101 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.889 131.6 16.8 -71.1 -46.5 38.2 21.5 0.0 142 142 A T S X S+ 0 0 23 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 -0.645 73.5 164.3-131.6 72.0 40.2 18.3 1.1 143 143 A P H > + 0 0 52 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.784 69.3 51.3 -60.6 -42.3 41.0 16.5 -2.1 144 144 A N H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.926 117.2 40.3 -65.3 -45.9 43.8 14.0 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 115.5 50.5 -69.8 -45.5 41.7 12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.962 109.6 52.6 -56.9 -43.8 38.5 12.7 -0.1 147 147 A K H X S+ 0 0 87 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.864 106.9 51.7 -59.0 -39.0 40.3 10.8 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.931 112.9 45.1 -62.1 -44.4 41.5 8.2 -0.4 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.934 113.0 50.8 -64.4 -45.9 37.8 7.7 0.8 150 150 A I H X S+ 0 0 12 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.860 109.0 50.5 -59.6 -42.4 36.5 7.6 -2.7 151 151 A T H X S+ 0 0 36 -4,-2.0 4,-3.0 -5,-0.2 5,-0.3 0.891 105.6 56.3 -66.1 -40.0 39.0 5.0 -3.8 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.863 112.1 44.1 -55.6 -40.8 38.1 2.8 -0.8 153 153 A F H < S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.870 115.1 47.6 -70.8 -42.6 34.4 3.0 -2.1 154 154 A R H < S+ 0 0 110 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.932 126.6 25.3 -67.0 -46.1 35.4 2.3 -5.7 155 155 A T H < S- 0 0 42 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.797 83.7-138.4 -92.1 -39.9 37.7 -0.6 -4.9 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 1,-0.3 -62,-0.2 0.575 71.8 100.6 85.2 10.7 36.6 -2.2 -1.6 157 157 A T S S- 0 0 48 -6,-0.3 -1,-0.3 -5,-0.1 3,-0.3 -0.762 82.3-117.8-123.6 168.4 40.3 -2.6 -0.6 158 158 A W S > S+ 0 0 40 -2,-0.2 3,-1.6 1,-0.2 4,-0.4 0.090 72.2 123.8 -93.7 21.6 42.6 -0.6 1.7 159 159 A D G > + 0 0 94 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.892 64.4 57.1 -48.9 -53.2 44.9 0.3 -1.1 160 160 A A G 3 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.686 111.1 46.5 -55.4 -21.1 44.7 4.1 -0.7 161 161 A Y G < 0 0 16 -3,-1.6 -1,-0.3 -13,-0.1 -2,-0.2 0.328 360.0 360.0-105.0 1.7 45.9 3.6 2.8 162 162 A K < 0 0 169 -3,-2.4 -2,-0.1 -4,-0.4 -3,-0.1 0.624 360.0 360.0-113.7 360.0 48.7 1.3 2.3