==== 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 1L72 . 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) . 8447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 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 0 1 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 78 0, 0.0 2,-0.2 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 146.7 43.9 -1.9 8.8 2 2 A N > - 0 0 68 95,-0.0 4,-2.6 1,-0.0 5,-0.2 -0.818 360.0 -87.5-140.3 179.1 40.9 -0.8 10.8 3 3 A I H > S+ 0 0 23 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.846 123.9 51.2 -58.0 -36.0 38.6 2.2 11.3 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 112.6 44.4 -68.6 -45.9 40.9 3.7 14.0 5 5 A E H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.906 113.9 52.4 -65.7 -39.6 44.1 3.4 11.9 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.934 112.9 41.2 -59.8 -54.8 42.2 4.8 8.9 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.4 0.858 110.4 58.6 -66.3 -31.5 40.9 7.8 10.8 8 8 A R H X S+ 0 0 110 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.912 107.7 48.0 -65.6 -32.1 44.2 8.4 12.5 9 9 A I H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.958 115.9 42.8 -72.4 -43.1 45.8 8.6 9.1 10 10 A D H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.782 124.5 31.8 -70.6 -31.9 43.3 11.1 7.8 11 11 A E H < S- 0 0 39 -4,-2.6 19,-0.3 -5,-0.2 -3,-0.2 0.728 90.5-145.7-103.5 -26.5 43.0 13.3 10.8 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.227 24.2 -89.2 83.7 174.0 46.4 13.4 12.5 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.982 44.0 175.4-129.1 119.5 47.0 13.6 16.3 14 14 A R E -A 28 0A 134 14,-1.7 14,-2.2 -2,-0.4 4,-0.1 -0.990 20.6-168.4-130.6 125.0 47.2 17.0 17.9 15 15 A L E S+ 0 0 66 -2,-0.4 43,-1.6 12,-0.2 2,-0.4 0.302 72.4 66.1 -91.0 9.3 47.6 17.7 21.6 16 16 A K E S-C 57 0B 105 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.990 97.5 -93.5-132.3 137.4 47.0 21.4 21.4 17 17 A I E + 0 0 16 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.148 60.1 167.3 -43.3 146.6 43.8 23.3 20.3 18 18 A Y E -A 26 0A 30 8,-2.8 8,-3.1 -4,-0.1 2,-0.6 -0.969 37.0-101.3-155.8 166.9 44.2 24.0 16.6 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.877 31.7-136.4-105.3 132.4 42.2 25.1 13.8 20 20 A D > - 0 0 43 4,-3.8 3,-2.1 -2,-0.6 -1,-0.1 0.093 42.3 -83.2 -64.9 179.6 40.9 22.6 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.701 132.8 51.0 -60.7 -23.9 41.0 23.1 7.6 22 22 A E T 3 S- 0 0 82 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.297 124.7-100.5 -97.3 4.8 37.8 25.2 7.9 23 23 A G S < S+ 0 0 37 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.414 76.4 143.1 89.6 3.7 39.2 27.4 10.6 24 24 A Y - 0 0 78 1,-0.1 -4,-3.8 -5,-0.1 2,-0.4 -0.511 59.4-105.2 -84.2 147.0 37.4 25.6 13.4 25 25 A Y E +AB 19 34A 27 9,-0.9 8,-3.3 11,-0.3 9,-1.5 -0.536 53.4 161.5 -70.4 116.7 38.7 24.9 16.8 26 26 A T E -AB 18 32A 4 -8,-3.1 -8,-2.8 -2,-0.4 2,-0.3 -0.866 17.5-173.9-135.4 163.6 39.7 21.2 17.0 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.2 -0.931 51.4 4.5-153.9 163.7 41.9 19.0 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.7 -2,-0.3 2,-0.9 -0.290 121.9 -9.8 63.7-130.9 43.1 15.4 19.3 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.707 128.4 -48.5-100.5 76.2 42.2 13.1 16.4 30 30 A G T 4 S+ 0 0 17 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.736 84.5 159.1 70.9 25.4 39.7 15.3 14.6 31 31 A H E < -B 27 0A 31 -4,-2.1 -4,-1.4 1,-0.0 -1,-0.2 -0.709 33.6-143.4 -89.1 99.9 37.6 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 -0.398 19.9-178.7 -61.1 128.2 35.7 19.4 16.7 33 33 A L E - 0 0 15 -8,-3.3 2,-0.3 1,-0.3 -7,-0.2 0.883 57.9 -20.3 -96.0 -51.7 35.4 21.7 19.6 34 34 A T E -B 25 0A 27 -9,-1.5 -9,-0.9 2,-0.1 -1,-0.3 -1.000 34.3-141.1-156.7 154.3 33.4 24.7 18.3 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.0 -11,-0.2 -11,-0.0 0.273 74.7 110.2 -97.7 12.1 32.3 26.5 15.2 36 36 A S S S- 0 0 39 2,-0.2 -11,-0.3 1,-0.1 6,-0.2 -0.686 73.6-132.3 -93.2 142.4 32.8 29.7 17.1 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.732 77.9 105.9 -58.7 -23.2 35.5 32.3 16.4 38 38 A S > - 0 0 49 1,-0.2 4,-2.2 2,-0.1 3,-0.3 -0.456 55.9-163.7 -74.4 118.9 36.2 32.4 20.1 39 39 A L H > S+ 0 0 72 -2,-0.7 4,-2.1 1,-0.3 -1,-0.2 0.718 97.2 53.4 -61.4 -20.5 39.3 30.7 21.3 40 40 A N H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.1 -1,-0.3 0.844 100.0 54.9 -88.9 -30.8 37.7 31.0 24.6 41 41 A A H > S+ 0 0 33 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.947 112.6 50.1 -61.0 -37.8 34.5 29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.895 106.9 50.0 -63.6 -49.6 36.9 26.5 22.5 43 43 A K H X S+ 0 0 51 -4,-2.1 4,-1.6 2,-0.2 11,-0.3 0.832 113.4 48.5 -63.3 -25.3 38.9 26.3 25.7 44 44 A S H X S+ 0 0 67 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.949 109.2 49.3 -79.8 -44.9 35.8 26.0 27.7 45 45 A E H X S+ 0 0 60 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.925 110.1 57.0 -57.3 -41.9 34.2 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.933 106.3 44.3 -59.5 -43.8 37.4 21.6 25.9 47 47 A D H X>S+ 0 0 33 -4,-1.6 4,-2.5 1,-0.2 5,-0.8 0.866 112.9 53.6 -68.7 -31.9 37.4 21.5 29.7 48 48 A K H <5S+ 0 0 147 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.908 110.7 46.5 -65.2 -41.8 33.7 20.5 29.6 49 49 A A H <5S+ 0 0 46 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.914 122.2 34.7 -67.3 -42.5 34.6 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.734 100.8-128.2 -86.4 -28.9 37.7 16.4 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.786 76.7 73.3 85.1 22.4 36.4 17.1 32.8 52 52 A R S - 0 0 10 -2,-0.9 3,-0.6 -11,-0.3 -1,-0.2 0.702 33.4-149.1-101.0 -36.5 43.1 21.8 30.3 55 55 A N T 3 S- 0 0 111 -12,-0.3 -2,-0.1 1,-0.2 -12,-0.1 0.984 77.5 -50.1 55.6 56.1 43.9 25.2 29.2 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.5 0.605 119.2 102.3 60.0 19.3 43.9 24.0 25.6 57 57 A V B < +C 16 0B 64 -3,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.973 42.3 175.6-139.0 131.4 46.2 21.1 26.2 58 58 A I - 0 0 3 -43,-1.6 2,-0.2 -2,-0.5 -30,-0.1 -0.819 26.6-115.6-124.5 166.8 45.4 17.4 26.5 59 59 A T > - 0 0 62 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.475 33.3-104.7 -94.7 168.7 47.4 14.2 26.9 60 60 A K H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 122.2 54.1 -57.1 -47.2 47.5 11.2 24.4 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.848 109.0 49.3 -53.8 -42.0 45.3 9.2 26.6 62 62 A E H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.856 108.5 52.5 -68.0 -40.3 42.8 12.0 26.5 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.907 111.0 47.1 -63.6 -40.9 43.0 12.3 22.8 64 64 A E H X S+ 0 0 75 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.791 108.1 55.9 -70.7 -28.5 42.3 8.6 22.4 65 65 A K H X S+ 0 0 134 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.955 110.0 44.8 -68.8 -49.4 39.4 8.7 24.8 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.901 112.6 54.1 -58.5 -37.9 37.7 11.4 22.8 67 67 A F H X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.932 106.3 50.1 -65.1 -48.0 38.4 9.4 19.6 68 68 A N H X S+ 0 0 94 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.906 111.9 49.4 -57.3 -39.7 36.8 6.3 21.0 69 69 A Q H X S+ 0 0 93 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.925 111.3 48.0 -63.5 -45.6 33.8 8.3 21.9 70 70 A D H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.844 110.6 49.6 -65.4 -36.5 33.5 9.9 18.5 71 71 A V H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.923 114.5 46.8 -68.8 -43.2 33.9 6.7 16.4 72 72 A D H X S+ 0 0 84 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.945 111.8 49.3 -64.5 -45.2 31.2 5.1 18.6 73 73 A A H X S+ 0 0 43 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.925 111.9 50.7 -60.7 -41.0 28.9 8.1 18.3 74 74 A A H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.928 111.7 46.2 -59.8 -49.7 29.5 8.0 14.4 75 75 A V H X S+ 0 0 36 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.957 115.5 45.0 -63.6 -47.6 28.6 4.3 14.2 76 76 A R H X S+ 0 0 119 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.879 110.4 56.6 -63.6 -34.3 25.5 4.6 16.4 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.915 108.2 46.3 -61.1 -40.8 24.5 7.7 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 7,-0.4 0.939 110.3 53.4 -65.5 -45.8 24.5 5.8 11.2 79 79 A L H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.783 112.6 44.2 -63.7 -24.9 22.6 2.8 12.7 80 80 A R H 3< S+ 0 0 169 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.498 92.5 99.4 -91.5 -14.8 19.8 5.1 13.9 81 81 A N S+ 0 0 122 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.847 119.8 38.8 -90.1 -38.1 18.9 7.3 5.4 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.7 -6,-0.2 3,-0.4 0.843 102.7 67.7 -82.7 -36.5 22.3 5.9 6.4 85 85 A K H X S+ 0 0 81 -4,-2.6 4,-3.1 -7,-0.4 5,-0.2 0.914 98.2 49.4 -55.5 -48.3 21.4 2.6 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.873 113.5 48.3 -63.6 -31.1 20.1 0.9 4.7 87 87 A V H >X S+ 0 0 3 -4,-0.5 4,-0.9 -3,-0.4 3,-0.5 0.969 112.7 47.8 -69.3 -51.1 23.3 2.0 2.9 88 88 A Y H >< S+ 0 0 36 -4,-2.7 3,-1.4 1,-0.3 -3,-0.2 0.933 110.8 51.9 -53.6 -50.7 25.5 0.7 5.7 89 89 A D H 3< S+ 0 0 78 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.814 107.5 52.7 -59.7 -31.4 23.6 -2.6 5.9 90 90 A S H << S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.629 96.7 90.8 -80.3 -11.8 24.1 -3.2 2.1 91 91 A L S << S- 0 0 6 -3,-1.4 2,-0.0 -4,-0.9 31,-0.0 -0.539 74.1-119.4 -90.8 156.5 27.8 -2.7 2.2 92 92 A D > - 0 0 56 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.222 46.3 -91.2 -75.6 169.2 30.8 -5.0 2.7 93 93 A A H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.873 121.3 46.9 -54.8 -45.7 33.2 -4.4 5.6 94 94 A V H >> S+ 0 0 26 62,-0.2 4,-1.6 1,-0.2 3,-0.6 0.950 113.1 47.9 -64.9 -48.9 35.8 -2.1 3.9 95 95 A R H 3> S+ 0 0 22 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.815 105.3 60.3 -64.8 -25.2 33.2 0.1 2.3 96 96 A R H 3X S+ 0 0 78 -4,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.866 102.5 52.8 -65.3 -37.1 31.4 0.3 5.7 97 97 A C H S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.883 129.2 52.9 -51.3 -45.8 25.3 12.4 10.0 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.883 107.2 50.6 -61.0 -45.1 23.4 15.3 8.5 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-1.1 -3,-0.2 -2,-0.2 0.960 113.9 43.1 -59.7 -54.1 26.1 16.2 5.9 111 111 A V H >< S+ 0 0 1 -4,-1.9 3,-2.7 1,-0.3 -2,-0.2 0.913 106.4 61.0 -61.8 -41.8 26.5 12.6 4.6 112 112 A A H 3< S+ 0 0 13 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.780 96.6 64.3 -60.4 -17.2 22.7 12.0 4.5 113 113 A G T << S+ 0 0 54 -3,-1.1 2,-1.0 -4,-0.8 -1,-0.3 0.505 75.5 86.9 -83.3 -1.4 22.6 14.9 2.1 114 114 A F <> + 0 0 43 -3,-2.7 4,-2.6 1,-0.2 3,-0.3 -0.293 57.0 160.4 -90.6 53.1 24.6 13.0 -0.5 115 115 A T H > + 0 0 84 -2,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.829 66.2 42.9 -39.3 -57.3 21.4 11.5 -1.8 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.897 114.5 48.9 -64.2 -44.0 22.5 10.5 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.872 109.9 54.0 -60.9 -43.2 25.9 9.0 -4.1 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.905 108.3 49.5 -61.4 -39.9 24.0 7.1 -1.4 119 119 A R H X S+ 0 0 123 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.899 111.0 49.3 -64.9 -41.9 21.7 5.6 -4.0 120 120 A M H <>S+ 0 0 26 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.877 110.4 49.6 -67.3 -39.9 24.5 4.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.934 110.4 49.7 -64.7 -46.1 26.4 2.9 -3.4 122 122 A Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.894 110.4 52.2 -60.8 -31.5 23.4 1.0 -2.3 123 123 A Q T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.445 113.2-122.3 -83.5 3.4 23.0 -0.0 -6.0 124 124 A K T < 5 + 0 0 102 -3,-2.1 2,-1.3 1,-0.2 -3,-0.2 0.701 62.5 146.0 62.7 30.1 26.7 -1.2 -6.0 125 125 A R >< + 0 0 140 -5,-2.5 4,-2.2 1,-0.2 5,-0.2 -0.645 19.6 173.0 -98.4 74.4 27.6 1.1 -8.9 126 126 A W H > + 0 0 53 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.877 69.4 46.0 -51.6 -55.6 31.1 1.7 -7.7 127 127 A A H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 115.1 46.3 -61.6 -43.9 32.4 3.7 -10.6 128 128 A A H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 109.8 54.1 -70.3 -31.9 29.5 6.0 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.898 106.8 53.2 -64.6 -38.7 29.4 6.6 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.893 108.9 48.3 -63.4 -41.1 33.1 7.7 -7.2 131 131 A V H < S+ 0 0 84 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.913 113.7 46.9 -68.5 -42.0 32.4 10.2 -9.9 132 132 A N H >< S+ 0 0 44 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.916 106.9 55.4 -66.3 -45.7 29.4 11.6 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.3 -1,-0.2 0.875 102.0 60.9 -54.5 -34.9 31.1 11.9 -4.7 134 134 A A T 3< S+ 0 0 28 -4,-1.3 2,-1.5 1,-0.2 -1,-0.3 0.638 85.6 77.9 -68.9 -19.2 33.9 14.0 -6.3 135 135 A K S < S+ 0 0 155 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 -0.595 81.5 97.0 -92.2 72.2 31.4 16.6 -7.4 136 136 A S S > S- 0 0 18 -2,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.990 84.6-116.5-156.7 156.3 31.2 18.2 -3.9 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.898 115.7 62.0 -59.0 -42.3 32.6 20.9 -1.8 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.924 105.0 44.7 -48.5 -53.2 34.0 18.1 0.3 139 139 A Y H 4 S+ 0 0 54 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 115.1 48.2 -62.2 -44.7 36.2 16.9 -2.5 140 140 A N H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.855 113.9 47.1 -67.7 -32.3 37.3 20.4 -3.5 141 141 A Q H < S+ 0 0 95 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.885 130.3 15.3 -78.8 -43.9 38.2 21.4 0.0 142 142 A T S X S+ 0 0 25 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 -0.661 74.4 167.1-129.5 76.5 40.2 18.3 1.2 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.840 70.6 50.2 -63.5 -39.9 41.0 16.5 -2.1 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.917 116.0 42.7 -67.2 -41.8 43.7 14.1 -0.9 145 145 A R H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.936 115.1 50.2 -68.5 -47.6 41.6 12.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -8,-0.2 5,-0.2 0.919 109.1 52.6 -57.5 -39.8 38.4 12.7 -0.2 147 147 A K H X S+ 0 0 92 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.869 107.6 51.1 -64.2 -38.0 40.3 10.7 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.923 113.8 44.0 -64.0 -43.2 41.4 8.1 -0.4 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.936 114.3 50.4 -65.3 -47.4 37.8 7.7 0.9 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.865 109.3 49.9 -55.3 -44.6 36.4 7.6 -2.7 151 151 A T H X S+ 0 0 33 -4,-2.2 4,-3.1 2,-0.2 5,-0.5 0.861 107.2 56.7 -66.3 -34.3 39.0 5.0 -3.8 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.928 110.4 43.5 -61.8 -41.7 37.9 3.0 -0.8 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.897 115.6 49.8 -68.6 -39.9 34.4 3.1 -2.0 154 154 A R H < S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.933 125.0 22.8 -66.6 -49.5 35.4 2.3 -5.6 155 155 A T H < S- 0 0 42 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.726 86.3-136.4 -97.1 -25.7 37.6 -0.6 -5.0 156 156 A G S < S+ 0 0 17 -4,-2.0 2,-0.2 -5,-0.5 -62,-0.2 0.725 71.8 100.1 75.5 19.6 36.5 -2.1 -1.7 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.798 82.3-115.0-127.7 176.9 40.1 -2.5 -0.6 158 158 A W S >> S+ 0 0 39 -2,-0.2 3,-2.5 1,-0.2 4,-0.7 0.166 73.5 121.4 -94.5 14.1 42.5 -0.6 1.7 159 159 A D G >4 + 0 0 99 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.873 66.5 57.6 -47.6 -43.3 44.9 0.2 -1.2 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.715 111.5 43.6 -63.3 -17.8 44.6 4.0 -0.7 161 161 A Y G <4 0 0 18 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.373 360.0 360.0-108.2 -2.1 45.8 3.7 2.8 162 162 A K << 0 0 165 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.752 360.0 360.0-107.3 360.0 48.6 1.3 2.5