==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-00 1G1W . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 87 53.7 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 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 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, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.2 43.7 -2.0 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.944 360.0 -81.3-152.5 179.2 40.4 -0.8 10.7 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.798 123.6 52.7 -58.0 -39.6 38.4 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 113.2 43.4 -64.0 -47.7 40.4 3.6 14.2 5 5 A E H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 112.3 53.8 -61.7 -44.7 43.6 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.941 113.3 41.2 -56.5 -55.4 42.1 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.833 109.8 58.1 -67.2 -29.5 40.8 7.8 10.9 8 8 A R H X S+ 0 0 96 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.927 109.8 46.8 -65.2 -35.2 44.0 8.2 13.0 9 9 A I H < S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 116.0 43.3 -67.4 -48.2 45.8 8.4 9.7 10 10 A D H < S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.860 125.7 30.4 -68.0 -36.2 43.3 10.9 8.2 11 11 A E H < S- 0 0 46 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.690 90.7-155.1 -96.7 -22.6 43.0 13.2 11.2 12 12 A G < - 0 0 25 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.1 -0.126 27.2 -83.1 69.8-168.2 46.4 12.9 12.9 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.984 42.3 174.6-138.0 126.6 46.9 13.6 16.7 14 14 A R E -A 28 0A 125 14,-1.5 14,-2.7 -2,-0.4 4,-0.1 -0.999 16.1-166.4-135.8 124.3 47.3 17.0 18.3 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.415 73.8 62.0 -89.8 -2.7 47.4 17.5 22.0 16 16 A K E S-C 57 0B 84 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.892 101.4 -87.8-120.2 151.2 47.0 21.2 21.9 17 17 A I E + 0 0 17 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.367 57.0 170.4 -58.0 139.9 44.0 23.1 20.6 18 18 A Y E -A 26 0A 31 8,-3.1 8,-3.3 -4,-0.1 2,-0.4 -0.885 35.6-103.2-143.3 170.5 44.4 23.8 16.8 19 19 A K E -A 25 0A 131 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.826 34.7-141.2 -97.7 132.3 42.3 25.1 13.8 20 20 A D > - 0 0 49 4,-2.7 3,-2.1 -2,-0.4 -1,-0.1 -0.139 42.7 -76.4 -79.6-170.2 41.1 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 0.756 136.9 49.3 -56.1 -30.8 41.0 22.9 7.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.467 123.4-106.4 -88.7 -4.3 37.9 25.1 8.0 23 23 A G S < S+ 0 0 32 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.581 73.2 142.5 89.5 15.8 39.6 27.2 10.6 24 24 A Y - 0 0 77 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.745 58.9 -99.7 -98.1 147.9 37.6 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-3.1 11,-0.5 9,-1.5 -0.390 55.0 157.1 -65.8 125.6 38.9 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-3.3 -8,-3.1 6,-0.3 2,-0.3 -0.866 20.0-165.2-140.9 164.3 39.7 21.2 17.3 27 27 A I E > - B 0 31A 0 4,-1.6 4,-2.3 -2,-0.3 2,-0.2 -0.985 50.8 -2.7-150.9 163.4 41.8 18.9 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.7 -14,-1.5 -2,-0.3 2,-1.0 -0.415 122.5 -1.1 65.0-122.6 43.2 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.665 128.3 -56.1-105.0 72.2 42.1 13.1 16.8 30 30 A G T 4 S+ 0 0 13 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.749 82.5 161.7 67.5 27.9 39.9 15.4 14.9 31 31 A H E < -B 27 0A 34 -4,-2.3 -4,-1.6 -20,-0.1 -1,-0.2 -0.667 31.7-142.6 -86.4 108.5 37.6 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.318 18.8-176.8 -67.2 133.4 35.8 19.4 16.8 33 33 A L E - 0 0 16 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.867 56.7 -30.5 -97.8 -45.7 35.2 21.7 19.7 34 34 A T E -B 25 0A 30 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.919 35.3-130.2-169.6 156.2 33.3 24.5 18.3 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.563 75.2 114.6 -88.1 -12.1 32.6 26.6 15.3 36 36 A S - 0 0 44 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.234 68.7-138.5 -62.6 142.4 33.0 29.7 17.3 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.579 74.9 104.9 -77.6 -7.2 35.9 32.0 16.6 38 38 A S > - 0 0 42 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.670 56.5-161.4 -84.6 122.2 36.5 32.4 20.3 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.833 94.1 54.1 -65.7 -31.6 39.4 30.6 21.8 40 40 A N H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.923 105.6 51.9 -70.5 -39.1 38.0 30.9 25.2 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 110.7 48.9 -62.6 -33.6 34.9 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.878 109.7 50.8 -69.8 -40.0 36.9 26.6 22.7 43 43 A K H X S+ 0 0 57 -4,-2.6 4,-2.4 1,-0.2 11,-0.2 0.891 109.7 53.0 -64.8 -35.7 38.8 26.2 25.9 44 44 A S H X S+ 0 0 71 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.927 108.2 47.1 -65.8 -47.1 35.5 26.2 27.7 45 45 A E H X S+ 0 0 70 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.899 110.1 55.9 -62.5 -40.6 34.1 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.953 106.7 47.3 -59.1 -48.4 37.3 21.5 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 5,-0.9 0.918 111.9 51.0 -61.0 -37.6 37.2 21.5 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.892 111.2 48.0 -65.9 -38.6 33.6 20.5 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.880 120.8 36.6 -68.7 -36.1 34.4 17.6 27.4 50 50 A I H <5S- 0 0 35 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.709 102.9-126.4 -92.5 -24.0 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 65 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.695 75.9 70.2 88.3 17.0 36.1 17.1 32.9 52 52 A R S - 0 0 11 -2,-0.9 3,-0.9 -11,-0.2 -1,-0.2 0.755 33.7-144.0 -91.1 -30.2 42.9 21.8 30.8 55 55 A N T 3 S- 0 0 113 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.855 74.8 -58.6 63.3 32.3 44.1 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.608 117.0 101.4 76.2 12.7 43.9 23.8 26.1 57 57 A V B < +C 16 0B 68 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.985 43.5 176.5-131.9 136.8 46.1 20.9 26.5 58 58 A I - 0 0 5 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.807 27.7-109.2-130.0 170.8 45.2 17.2 27.0 59 59 A T > - 0 0 67 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.516 34.4-103.8 -96.4 167.3 47.1 13.9 27.3 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 122.6 51.7 -54.6 -43.9 47.3 11.1 24.7 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 108.2 50.8 -63.5 -42.4 44.9 9.0 26.8 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.5 50.1 -61.6 -43.0 42.4 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -34,-0.4 0.887 110.8 48.8 -59.6 -42.4 42.5 12.3 23.2 64 64 A E H X S+ 0 0 67 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.813 107.6 55.7 -70.8 -24.7 42.0 8.6 22.6 65 65 A K H X S+ 0 0 134 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.953 108.9 45.9 -70.7 -44.0 39.1 8.7 25.0 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 111.7 53.6 -59.6 -40.5 37.5 11.4 22.9 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.925 106.5 51.2 -60.9 -46.8 38.2 9.4 19.8 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.923 112.3 47.3 -57.7 -42.9 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.899 110.9 50.2 -64.2 -40.6 33.5 8.3 21.9 70 70 A D H X S+ 0 0 34 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.835 111.2 48.5 -66.5 -39.7 33.5 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.951 112.9 48.4 -68.0 -44.3 33.7 6.7 16.6 72 72 A D H X S+ 0 0 83 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.925 110.0 50.8 -57.7 -48.0 31.0 5.2 18.7 73 73 A A H X S+ 0 0 48 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.903 109.7 51.5 -59.0 -39.6 28.7 8.2 18.3 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.949 111.1 46.6 -65.0 -45.0 29.2 8.1 14.5 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.949 115.3 46.0 -59.8 -47.6 28.3 4.4 14.2 76 76 A R H X S+ 0 0 125 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.882 110.2 55.0 -63.6 -35.3 25.3 4.9 16.4 77 77 A G H >X S+ 0 0 1 -4,-2.7 4,-1.1 -5,-0.3 3,-0.7 0.948 107.4 48.9 -63.4 -48.4 24.4 7.9 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 7,-0.5 0.946 110.0 52.7 -50.2 -50.6 24.4 6.0 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.673 110.8 46.5 -64.8 -22.3 22.3 3.2 12.6 80 80 A R H << S+ 0 0 187 -4,-1.1 2,-0.5 -3,-0.7 -1,-0.3 0.542 92.3 93.6 -94.7 -18.1 19.7 5.6 13.8 81 81 A N S+ 0 0 124 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.828 119.6 40.6 -81.2 -35.1 18.7 7.4 5.1 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.7 2,-0.2 3,-0.4 0.891 100.6 66.3 -83.8 -40.1 22.0 6.0 6.2 85 85 A K H X S+ 0 0 88 -4,-3.0 4,-3.1 -7,-0.5 5,-0.2 0.871 99.7 50.4 -50.6 -47.3 21.2 2.8 7.9 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.892 111.7 48.8 -65.4 -32.8 20.0 1.0 4.8 87 87 A V H X S+ 0 0 2 -4,-0.6 4,-0.9 -3,-0.4 3,-0.3 0.951 112.2 47.7 -68.3 -51.0 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.934 109.4 54.6 -53.7 -43.8 25.4 0.9 5.7 89 89 A D H 3< S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.833 105.4 54.0 -62.5 -31.4 23.5 -2.4 6.0 90 90 A S H 3< S+ 0 0 39 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.674 96.2 86.3 -77.6 -15.2 24.0 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-1.1 2,-0.1 -4,-0.9 31,-0.0 -0.486 74.3-114.1 -92.3 164.8 27.7 -2.7 2.4 92 92 A D > - 0 0 55 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.264 44.9 -92.2 -78.5 169.7 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.843 121.1 47.0 -54.0 -44.6 33.1 -4.3 6.1 94 94 A V H > S+ 0 0 24 1,-0.2 4,-1.5 62,-0.2 3,-0.4 0.937 112.7 47.3 -66.2 -49.7 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.864 104.8 62.3 -62.6 -33.0 33.2 0.1 2.7 96 96 A R H X S+ 0 0 80 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.898 101.5 53.0 -55.8 -40.3 31.4 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.8 -3,-0.4 -1,-0.2 0.882 104.8 54.7 -59.8 -42.8 34.5 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.887 108.9 48.2 -58.5 -43.4 34.5 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.901 109.9 51.4 -66.6 -37.6 31.0 5.5 5.4 100 100 A I H X S+ 0 0 7 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.956 106.5 55.7 -63.2 -45.4 31.9 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.944 108.1 47.2 -51.8 -51.5 34.8 8.1 8.0 102 102 A M H X S+ 0 0 4 -4,-2.2 4,-3.4 1,-0.2 5,-0.4 0.945 111.6 49.8 -58.9 -41.7 32.7 10.4 6.1 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.910 108.0 54.0 -66.2 -33.7 30.1 10.7 8.9 104 104 A F H < S+ 0 0 30 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.899 115.6 40.6 -64.9 -36.0 32.8 11.4 11.5 105 105 A M H < S+ 0 0 62 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.907 131.8 18.9 -80.7 -45.5 34.1 14.2 9.4 106 106 A M H X S- 0 0 54 -4,-3.4 4,-0.7 -5,-0.2 -3,-0.2 0.520 102.3-111.9-112.5 -2.7 30.9 15.8 8.2 107 107 A G H X - 0 0 29 -4,-2.5 4,-2.2 -5,-0.4 5,-0.2 0.130 33.9 -83.9 90.7 151.2 28.2 14.7 10.4 108 108 A E H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 127.8 53.2 -64.7 -32.8 25.3 12.5 9.7 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.935 107.8 51.6 -67.1 -43.7 23.3 15.3 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.8 1,-0.2 -2,-0.2 0.912 113.4 43.7 -58.8 -48.1 26.1 16.2 5.9 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.900 102.9 64.1 -67.6 -35.9 26.4 12.7 4.6 112 112 A A H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.779 92.4 68.6 -62.6 -16.0 22.7 12.2 4.3 113 113 A G T << S+ 0 0 59 -3,-0.8 2,-0.7 -4,-0.7 3,-0.3 0.530 76.1 83.2 -78.6 -2.3 22.8 15.0 1.6 114 114 A F <> + 0 0 38 -3,-2.2 4,-3.1 1,-0.2 5,-0.3 -0.255 55.4 153.9 -97.3 54.5 24.7 12.8 -0.8 115 115 A T H > + 0 0 81 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.845 65.4 47.8 -46.9 -51.9 21.6 11.3 -1.9 116 116 A N H > S+ 0 0 79 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.916 114.2 47.0 -60.0 -44.6 22.7 10.3 -5.4 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.888 109.9 53.8 -62.9 -45.7 25.9 8.8 -4.2 118 118 A L H X S+ 0 0 12 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.911 107.6 50.2 -57.9 -43.4 24.2 7.0 -1.5 119 119 A R H X S+ 0 0 106 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.921 110.9 49.2 -62.5 -39.7 21.8 5.4 -3.9 120 120 A M H <>S+ 0 0 28 -4,-2.0 5,-2.4 2,-0.2 4,-0.4 0.895 109.5 50.9 -68.3 -40.6 24.7 4.4 -6.1 121 121 A L H ><5S+ 0 0 3 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.917 107.9 53.7 -61.7 -42.1 26.6 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.885 108.8 49.3 -59.5 -35.4 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 98 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.472 111.8-120.9 -84.8 1.0 23.3 -0.4 -5.9 124 124 A K T < 5 + 0 0 102 -3,-1.6 2,-1.5 -4,-0.4 -3,-0.2 0.740 62.1 148.6 66.8 29.1 27.0 -1.4 -5.8 125 125 A R >< + 0 0 110 -5,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.629 21.3 175.2 -94.1 73.3 27.7 0.8 -8.8 126 126 A W H > + 0 0 51 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.892 69.5 42.8 -49.8 -54.2 31.3 1.5 -7.6 127 127 A D H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 114.7 50.0 -67.5 -36.2 32.7 3.5 -10.3 128 128 A E H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 110.7 50.0 -68.3 -39.7 29.6 5.7 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.6 2,-0.2 5,-0.2 0.922 107.9 54.3 -58.7 -45.5 29.5 6.4 -7.0 130 130 A A H X S+ 0 0 11 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.893 109.7 47.3 -59.6 -41.2 33.1 7.4 -7.0 131 131 A V H X S+ 0 0 93 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.943 113.2 47.7 -68.5 -42.7 32.6 9.9 -9.8 132 132 A N H >< S+ 0 0 37 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.880 107.3 55.2 -64.7 -42.9 29.5 11.3 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-3.6 6,-0.4 1,-0.2 -1,-0.2 0.865 101.9 60.5 -57.7 -31.3 31.2 11.6 -4.7 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.8 -5,-0.2 -1,-0.2 0.726 85.2 78.2 -70.8 -20.1 34.0 13.7 -6.4 135 135 A K S << S+ 0 0 166 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.481 81.8 100.2 -88.2 67.8 31.5 16.3 -7.6 136 136 A S S > S- 0 0 14 -2,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.998 83.5-120.0-153.6 154.4 31.4 17.9 -4.1 137 137 A R H > S+ 0 0 155 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.887 113.9 64.0 -59.0 -39.3 32.7 20.7 -2.1 138 138 A W H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.933 106.4 41.7 -48.5 -50.3 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 66 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.1 51.4 -67.6 -44.5 36.4 16.7 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.3 41.3 -63.9 -35.3 37.4 20.2 -3.8 141 141 A Q H < S+ 0 0 106 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.898 132.2 20.7 -82.1 -36.2 38.3 21.4 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.4 4,-3.1 -5,-0.3 5,-0.2 -0.567 71.4 161.5-133.9 68.3 40.1 18.2 0.9 143 143 A P H > + 0 0 51 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.867 69.9 53.3 -54.5 -45.7 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.962 116.0 37.4 -62.4 -47.6 43.7 14.1 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.952 116.5 53.0 -66.8 -48.5 41.6 12.8 2.1 146 146 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.3 5,-0.3 0.900 107.4 53.5 -54.6 -43.8 38.5 12.7 -0.2 147 147 A K H X S+ 0 0 88 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.3 0.908 107.3 50.9 -58.8 -40.9 40.4 10.6 -2.7 148 148 A R H X S+ 0 0 70 -4,-1.6 4,-1.7 -3,-0.3 12,-0.2 0.934 112.5 44.6 -65.0 -43.2 41.4 8.1 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.940 114.1 50.5 -64.4 -43.6 37.9 7.6 1.1 150 150 A I H X S+ 0 0 12 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.895 108.0 52.1 -60.3 -42.2 36.6 7.4 -2.5 151 151 A T H X S+ 0 0 30 -4,-2.5 4,-2.7 -5,-0.3 6,-0.3 0.881 107.1 54.4 -61.4 -36.3 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.892 110.7 44.5 -63.9 -42.5 38.0 2.8 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.872 114.9 50.7 -66.2 -38.8 34.4 2.9 -1.7 154 154 A R H < S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 124.3 23.9 -67.7 -42.1 35.5 2.2 -5.3 155 155 A T H < S- 0 0 50 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.649 84.0-135.7-100.4 -23.0 37.6 -0.9 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.2 1,-0.3 -62,-0.2 0.682 74.6 102.4 70.9 15.6 36.4 -2.3 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.779 79.8-120.8-123.3 173.2 40.2 -2.6 -0.2 158 158 A W S >> S+ 0 0 49 -2,-0.2 3,-2.2 1,-0.2 4,-0.6 0.154 72.9 119.9 -94.9 9.0 42.6 -0.6 2.1 159 159 A D G >4 + 0 0 85 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.812 66.1 59.5 -46.6 -38.2 45.0 0.1 -0.7 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.700 109.5 47.0 -64.9 -22.6 44.6 3.9 -0.4 161 161 A Y G <4 0 0 19 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.503 360.0 360.0-101.8 -7.1 45.8 3.5 3.1 162 162 A K << 0 0 180 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.889 360.0 360.0 -96.6 360.0 48.8 1.3 2.7