==== 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 1G1V . 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) . 8657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 10 6.2 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 160.8 43.4 -1.9 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.901 360.0 -82.1-157.0 174.3 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.836 123.4 51.8 -54.4 -40.5 38.1 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.956 112.9 43.8 -64.5 -47.3 40.2 3.6 14.1 5 5 A E H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 113.6 53.4 -65.2 -38.7 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.937 112.5 41.8 -60.7 -52.8 41.8 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.4 0.883 109.4 57.9 -66.5 -32.4 40.6 7.7 10.9 8 8 A R H X S+ 0 0 111 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.895 108.0 49.7 -65.4 -28.6 43.8 8.3 12.9 9 9 A I H < S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.9 42.8 -73.3 -42.5 45.5 8.4 9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 125.1 30.4 -73.8 -32.8 43.1 10.9 8.1 11 11 A E H < S- 0 0 48 -4,-3.0 19,-0.3 -5,-0.2 -1,-0.2 0.749 91.4-152.0 -99.6 -23.0 42.7 13.2 11.0 12 12 A G < - 0 0 23 -4,-1.6 2,-0.3 -5,-0.4 -1,-0.2 -0.288 25.2 -86.4 77.6-169.2 46.1 13.0 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.944 42.2 173.8-143.0 119.7 46.6 13.6 16.6 14 14 A R E -A 28 0A 138 14,-1.7 14,-2.2 -2,-0.3 4,-0.1 -1.000 17.3-164.9-131.1 130.5 47.1 17.0 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.393 73.7 61.7 -95.1 -1.9 47.2 17.5 21.9 16 16 A K E S-C 57 0B 143 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.902 102.3 -86.3-121.4 151.9 46.8 21.2 21.9 17 17 A I E + 0 0 12 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.290 58.8 170.9 -53.6 141.4 43.8 23.1 20.5 18 18 A Y E -A 26 0A 25 8,-2.6 8,-2.8 -4,-0.1 2,-0.4 -0.903 35.6-101.7-147.1 169.1 44.2 23.7 16.8 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.813 34.3-138.2 -95.5 135.9 42.2 24.9 13.9 20 20 A D > - 0 0 47 4,-3.1 3,-2.1 -2,-0.4 -1,-0.1 -0.126 42.2 -79.2 -77.9-171.5 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.749 135.6 49.5 -57.0 -28.3 40.8 22.6 7.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.391 123.7-103.9 -91.4 0.6 37.7 25.0 7.9 23 23 A G S < S+ 0 0 40 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.626 76.1 136.5 85.8 17.7 39.4 27.2 10.6 24 24 A Y - 0 0 79 1,-0.0 -4,-3.1 9,-0.0 -1,-0.3 -0.802 60.8 -99.9-104.0 149.5 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-2.8 11,-0.5 9,-1.7 -0.445 52.3 157.6 -71.4 130.4 38.7 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.6 6,-0.3 2,-0.3 -0.866 20.8-160.1-140.6 166.4 39.4 21.2 17.3 27 27 A I E > - B 0 31A 0 4,-2.1 4,-2.0 -2,-0.3 2,-0.2 -0.983 52.9 -5.4-149.1 159.4 41.5 18.9 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.7 -2,-0.3 2,-0.9 -0.383 121.8 -1.1 71.6-126.9 42.9 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.675 128.2 -55.4-104.7 68.3 41.8 13.1 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.739 83.5 160.5 69.0 28.1 39.6 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-2.1 1,-0.0 -1,-0.2 -0.678 33.4-142.2 -84.9 107.5 37.3 16.2 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.390 21.2-179.3 -68.2 132.8 35.5 19.4 16.8 33 33 A L E - 0 0 17 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.876 58.6 -22.9 -96.6 -46.9 35.1 21.7 19.8 34 34 A T E -B 25 0A 28 -9,-1.7 -9,-0.7 2,-0.1 -1,-0.4 -0.961 33.3-139.8-163.6 154.4 33.3 24.6 18.4 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.428 73.9 112.2 -94.4 -2.5 32.5 26.6 15.3 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.444 71.1-133.5 -74.2 146.2 32.9 29.9 17.3 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.516 77.1 102.1 -77.1 -7.1 35.8 32.1 16.6 38 38 A S > - 0 0 47 1,-0.2 4,-1.7 2,-0.0 -2,-0.1 -0.691 57.9-160.3 -91.9 125.6 36.5 32.5 20.2 39 39 A L H > S+ 0 0 74 -2,-0.6 4,-2.6 1,-0.2 5,-0.3 0.802 95.5 56.5 -67.8 -27.8 39.3 30.5 21.7 40 40 A N H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 104.1 51.9 -73.3 -35.5 37.8 31.0 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 111.2 50.2 -60.7 -40.4 34.7 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.867 108.3 49.8 -65.5 -40.7 36.8 26.6 22.7 43 43 A K H X S+ 0 0 65 -4,-2.6 4,-2.7 1,-0.2 11,-0.2 0.911 109.7 53.5 -67.4 -35.8 38.7 26.1 25.9 44 44 A S H X S+ 0 0 70 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.928 108.9 46.8 -62.8 -43.6 35.4 26.1 27.7 45 45 A E H X S+ 0 0 64 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.928 112.2 52.9 -67.4 -38.9 34.0 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.931 109.3 47.0 -59.2 -45.7 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 31 -4,-2.7 4,-2.4 1,-0.2 5,-1.3 0.909 112.6 50.0 -60.7 -41.6 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 144 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.881 111.4 49.6 -62.4 -40.2 33.4 20.5 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.864 119.0 36.3 -68.0 -37.3 34.4 17.6 27.4 50 50 A I H <5S- 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.710 102.0-126.1 -88.1 -28.1 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 70 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.790 78.2 73.0 82.4 27.0 35.7 17.2 32.9 52 52 A R S - 0 0 7 -2,-0.8 3,-1.1 -11,-0.2 -1,-0.2 0.711 30.9-145.7 -93.3 -29.2 42.6 21.8 30.7 55 55 A N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.858 72.2 -54.5 61.8 36.7 43.9 25.1 29.7 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.562 117.0 97.8 78.1 8.0 43.7 24.0 26.0 57 57 A V B < -C 16 0B 66 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.978 46.8-173.4-132.7 143.9 45.8 20.9 26.3 58 58 A T - 0 0 5 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.848 24.0-119.3-124.3 164.6 44.9 17.1 26.7 59 59 A T > - 0 0 66 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.621 36.8-102.3 -94.9 168.7 46.9 14.0 27.3 60 60 A K H > S+ 0 0 118 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.895 122.1 53.1 -55.7 -44.8 47.0 11.1 24.8 61 61 A D H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.908 107.9 49.2 -60.1 -45.0 44.6 9.2 26.8 62 62 A E H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 111.1 49.3 -63.2 -44.9 42.1 11.9 27.0 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -34,-0.4 0.875 110.7 51.4 -61.3 -38.6 42.2 12.5 23.3 64 64 A E H X S+ 0 0 73 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.839 106.2 55.2 -70.3 -26.0 41.8 8.8 22.6 65 65 A K H X S+ 0 0 138 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.957 106.8 48.6 -73.4 -39.7 38.8 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.929 111.2 52.9 -61.1 -37.4 37.2 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.953 106.8 50.4 -65.3 -47.2 38.0 9.5 19.7 68 68 A N H X S+ 0 0 87 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.938 112.5 47.5 -53.7 -44.3 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 100 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.907 111.6 50.8 -62.7 -43.9 33.3 8.3 21.9 70 70 A D H X S+ 0 0 36 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.873 110.5 48.1 -63.9 -36.7 33.2 10.0 18.5 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.965 112.8 48.8 -67.4 -47.4 33.5 6.7 16.6 72 72 A D H X S+ 0 0 84 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.936 111.0 49.2 -53.8 -49.0 30.8 5.2 18.6 73 73 A A H X S+ 0 0 52 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.901 108.4 55.5 -58.8 -39.3 28.5 8.1 18.2 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.951 110.2 44.0 -61.9 -50.1 29.2 8.0 14.4 75 75 A V H X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.927 114.8 49.7 -59.3 -48.8 28.1 4.4 14.1 76 76 A R H X S+ 0 0 119 -4,-3.1 4,-1.3 -5,-0.3 -1,-0.2 0.904 108.0 52.7 -61.3 -38.4 25.1 4.9 16.3 77 77 A G H X S+ 0 0 2 -4,-2.9 4,-0.7 -5,-0.2 -1,-0.2 0.889 109.6 49.3 -62.6 -40.6 24.1 8.0 14.3 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 7,-0.4 0.960 109.5 51.4 -60.2 -48.8 24.2 6.0 11.0 79 79 A L H 3< S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 113.2 45.4 -66.7 -20.3 22.1 3.2 12.5 80 80 A R H 3< S+ 0 0 203 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.539 93.5 97.2 -95.6 -8.3 19.5 5.6 13.7 81 81 A N S+ 0 0 83 1,-0.1 4,-0.5 2,-0.1 -1,-0.2 0.854 122.0 41.6 -79.4 -35.6 18.6 7.6 4.9 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.5 1,-0.1 3,-0.4 0.873 98.5 65.4 -82.0 -41.7 21.8 6.1 6.2 85 85 A K H X S+ 0 0 86 -4,-3.2 4,-3.2 -7,-0.4 5,-0.2 0.882 98.6 52.6 -52.7 -45.0 21.1 2.8 7.8 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.874 110.4 50.4 -64.6 -32.5 19.9 1.0 4.8 87 87 A V H X S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.4 3,-0.4 0.953 111.8 45.0 -67.4 -54.5 23.0 1.9 3.0 88 88 A Y H >< S+ 0 0 30 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.948 109.3 57.3 -54.5 -43.9 25.3 0.8 5.6 89 89 A D H 3< S+ 0 0 72 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.870 105.8 51.9 -59.5 -30.9 23.4 -2.4 6.1 90 90 A S H 3< S+ 0 0 42 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.674 96.0 91.0 -80.1 -13.5 23.9 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.9 31,-0.0 -0.486 74.0-118.2 -87.8 159.4 27.6 -2.8 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.257 44.8 -92.9 -76.7 168.7 30.6 -5.0 3.1 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.868 120.6 48.2 -54.8 -46.2 32.9 -4.3 6.0 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.7 1,-0.2 3,-0.3 0.937 113.4 48.0 -63.3 -48.9 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.865 104.0 59.5 -63.3 -32.1 33.0 -0.0 2.7 96 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.908 103.7 53.8 -61.1 -35.1 31.1 0.5 5.9 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.6 -3,-0.3 -1,-0.2 0.886 104.2 54.4 -66.5 -37.9 34.3 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.911 109.6 48.1 -60.2 -37.7 34.4 4.3 4.4 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.912 109.3 51.5 -68.6 -40.7 30.8 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.955 106.5 55.8 -60.8 -45.2 31.7 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.937 108.2 48.0 -50.5 -48.2 34.7 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 5,-0.4 0.906 111.2 48.7 -63.9 -41.2 32.6 10.4 6.0 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 108.7 54.7 -68.4 -32.8 30.0 10.7 8.8 104 104 A F H < S+ 0 0 32 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.8 39.5 -64.0 -37.0 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 54 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.918 132.5 18.2 -73.9 -48.7 34.0 14.3 9.1 106 106 A M H X S- 0 0 53 -4,-2.6 4,-0.7 -5,-0.2 -3,-0.2 0.479 102.7-112.5-109.5 -5.1 30.9 15.8 7.9 107 107 A G H X - 0 0 30 -4,-2.3 4,-2.3 -5,-0.4 5,-0.3 0.133 33.5 -84.8 87.5 152.1 28.1 14.7 10.2 108 108 A E H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.824 126.7 54.1 -68.9 -29.2 25.3 12.6 9.4 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.941 108.1 50.3 -69.9 -42.9 23.2 15.3 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.6 1,-0.2 -2,-0.2 0.892 114.6 43.6 -62.1 -43.7 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.901 103.4 63.8 -70.7 -36.2 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.770 94.6 66.0 -60.7 -17.3 22.6 12.1 4.2 113 113 A G T << S+ 0 0 60 -4,-0.8 2,-0.8 -3,-0.6 3,-0.3 0.478 75.6 83.8 -80.8 -4.9 22.6 14.9 1.5 114 114 A F <> + 0 0 37 -3,-2.4 4,-2.7 1,-0.2 5,-0.3 -0.267 57.1 153.1 -92.6 52.6 24.7 12.8 -1.0 115 115 A T H > + 0 0 67 -2,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.851 65.7 49.1 -47.5 -50.5 21.4 11.2 -2.0 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.934 113.1 46.0 -60.2 -45.4 22.5 10.4 -5.4 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.882 110.0 55.5 -63.5 -41.5 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.884 106.2 50.2 -58.3 -43.6 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 120 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.942 111.0 49.3 -64.3 -41.3 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 23 -4,-2.0 5,-1.8 1,-0.2 4,-0.4 0.928 110.6 50.0 -64.4 -43.6 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.934 109.7 51.0 -60.9 -44.3 26.4 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.906 109.9 49.9 -58.7 -39.4 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 93 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.488 112.3-122.6 -77.1 -2.0 23.0 -0.4 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.8 2,-1.3 -4,-0.4 -3,-0.2 0.730 62.7 145.4 63.5 31.7 26.8 -1.5 -5.9 125 125 A R >< + 0 0 110 -5,-1.8 4,-2.4 1,-0.2 5,-0.2 -0.683 23.0 175.2 -98.1 74.5 27.6 0.6 -8.9 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.868 68.7 46.3 -53.7 -51.5 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 114.4 48.9 -62.7 -43.1 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 110.7 48.0 -66.8 -41.6 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.897 109.5 56.0 -63.3 -40.4 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.895 109.4 46.0 -57.9 -40.5 33.0 7.2 -7.2 131 131 A V H X S+ 0 0 91 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.945 113.8 47.2 -72.6 -39.9 32.5 9.7 -9.9 132 132 A N H >< S+ 0 0 43 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.841 107.8 56.2 -64.7 -41.2 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.3 1,-0.2 -1,-0.2 0.859 99.9 60.3 -59.7 -36.1 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 29 -4,-1.2 2,-1.9 -3,-0.3 -1,-0.2 0.684 86.4 79.7 -67.6 -18.8 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 166 -3,-0.7 2,-0.4 -4,-0.6 -1,-0.2 -0.463 79.8 96.6 -86.9 68.6 31.5 16.2 -7.6 136 136 A S S > S- 0 0 16 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.996 84.7-117.1-155.8 157.7 31.3 17.8 -4.2 137 137 A R H > S+ 0 0 146 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.890 114.3 64.1 -59.6 -41.1 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.930 106.0 42.1 -49.5 -48.7 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 114.5 50.4 -70.0 -39.3 36.2 16.5 -2.6 140 140 A N H < S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.2 41.9 -67.1 -33.5 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 108 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 131.5 19.8 -80.2 -41.6 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.572 74.2 161.5-129.4 72.0 40.0 18.0 1.0 143 143 A P H > + 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.875 67.3 52.8 -62.1 -42.5 40.9 16.1 -2.1 144 144 A N H > S+ 0 0 112 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.947 116.7 39.8 -63.4 -41.0 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.934 114.9 51.5 -70.5 -48.8 41.4 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.899 108.6 54.5 -54.9 -42.2 38.3 12.4 -0.2 147 147 A K H X S+ 0 0 86 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.3 0.870 107.0 48.8 -60.2 -42.8 40.3 10.4 -2.7 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.5 -5,-0.2 12,-0.2 0.925 114.2 45.3 -63.3 -42.0 41.3 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.892 113.8 49.5 -64.5 -44.0 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.918 109.4 51.4 -64.2 -41.1 36.4 7.3 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.3 4,-2.6 -5,-0.2 6,-0.3 0.875 106.7 55.4 -63.0 -34.7 39.0 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.899 109.7 44.6 -63.9 -40.2 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 114.4 51.3 -68.7 -39.4 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 97 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.909 124.7 23.0 -63.2 -44.2 35.4 1.9 -5.3 155 155 A T H < S- 0 0 45 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.707 85.2-136.3 -98.6 -23.1 37.5 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.7 2,-0.3 1,-0.3 -62,-0.2 0.669 73.5 101.8 68.9 21.5 36.3 -2.4 -1.2 157 157 A T S S- 0 0 45 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.820 80.1-121.1-127.0 173.2 40.0 -2.8 -0.1 158 158 A W S >> S+ 0 0 40 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 0.109 71.3 121.9 -97.0 14.7 42.3 -0.7 2.1 159 159 A D G >4 + 0 0 94 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.857 66.1 61.7 -51.4 -34.5 44.8 -0.1 -0.6 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.714 107.7 45.3 -65.7 -18.0 44.5 3.7 -0.3 161 161 A Y G <4 0 0 20 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.453 360.0 360.0-106.6 -0.3 45.7 3.5 3.2 162 162 A K << 0 0 180 -3,-1.3 -2,-0.2 -4,-0.6 -3,-0.1 0.870 360.0 360.0 -94.4 360.0 48.7 1.1 2.7