==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-DEC-09 3L2X . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 10 6.1 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 1 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 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.9 17.1 1.7 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.925 360.0 -79.4-158.9 179.4 20.4 0.7 10.6 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.851 126.6 50.4 -60.4 -36.4 22.6 -2.4 11.2 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.956 114.1 42.8 -65.7 -49.1 20.4 -3.6 14.1 5 5 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.851 114.7 53.1 -66.3 -33.3 17.1 -3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.948 112.9 40.6 -65.6 -53.1 18.7 -4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.851 110.3 59.5 -67.5 -33.5 20.0 -7.9 10.9 8 8 A R H X S+ 0 0 104 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.910 109.1 45.2 -58.3 -41.7 16.8 -8.1 12.9 9 9 A I H < S+ 0 0 44 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.947 117.9 42.4 -64.7 -48.8 15.0 -8.4 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.803 124.3 34.1 -70.1 -30.2 17.5 -11.0 8.1 11 11 A E H < S- 0 0 38 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.696 92.5-152.7-101.6 -22.0 17.8 -13.1 11.3 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.204 22.7 -89.2 74.2-174.1 14.4 -13.0 12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.947 44.8 165.7-140.6 117.2 13.7 -13.4 16.6 14 14 A R E -A 28 0A 144 14,-2.1 14,-2.4 -2,-0.4 4,-0.1 -0.999 22.6-160.2-134.1 135.1 13.1 -16.7 18.3 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.413 74.2 63.4 -99.0 1.1 13.1 -17.3 22.0 16 16 A K E S-C 57 0B 149 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.928 100.7 -86.3-119.3 150.1 13.6 -21.1 21.9 17 17 A I E + 0 0 31 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.296 58.4 168.0 -52.4 129.4 16.6 -23.0 20.5 18 18 A Y E -A 26 0A 26 8,-2.7 8,-2.8 -4,-0.1 2,-0.4 -0.896 37.4-101.8-138.6 167.6 16.1 -23.6 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.826 35.2-139.6 -96.8 135.0 18.2 -24.8 13.8 20 20 A D > - 0 0 46 4,-2.5 3,-1.7 -2,-0.4 -1,-0.1 0.066 42.6 -75.6 -79.7-168.0 19.5 -22.1 11.5 21 21 A T T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.722 134.4 48.1 -66.6 -18.6 19.6 -22.4 7.7 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.387 123.1-101.1-100.0 0.8 22.7 -24.7 7.9 23 23 A G S < S+ 0 0 39 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.546 76.6 138.5 91.8 10.6 21.1 -27.0 10.6 24 24 A Y - 0 0 74 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.718 61.1-103.0 -99.5 139.7 23.0 -25.5 13.6 25 25 A Y E +A 19 0A 36 11,-0.5 8,-2.5 9,-0.4 9,-1.2 -0.327 53.7 161.0 -61.3 131.9 21.5 -24.8 17.0 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-2.7 6,-0.3 2,-0.3 -0.887 18.2-168.7-146.9 162.2 20.8 -21.1 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.2 -2,-0.3 2,-0.2 -0.978 51.2 5.9-152.4 163.7 18.6 -18.8 19.5 28 28 A G E 4 S-A 14 0A 1 -14,-2.4 -14,-2.1 -2,-0.3 2,-0.8 -0.427 123.6 -8.1 73.2-128.9 17.5 -15.2 19.7 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.713 128.4 -51.2-105.5 75.3 18.4 -13.0 16.8 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.797 82.8 162.3 65.7 29.4 20.7 -15.3 14.9 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-1.6 -20,-0.1 2,-0.2 -0.716 31.7-144.9 -81.8 101.4 22.9 -16.1 17.8 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.477 17.4-174.8 -64.7 128.1 24.7 -19.3 16.8 33 33 A L - 0 0 12 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.866 57.5 -35.5 -92.0 -43.5 25.2 -21.5 19.8 34 34 A T - 0 0 26 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.957 35.7-127.5-172.7 156.6 27.3 -24.4 18.4 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.432 74.2 118.7 -92.4 -0.7 27.9 -26.5 15.4 36 36 A S - 0 0 37 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.367 67.3-138.2 -63.8 141.2 27.6 -29.6 17.5 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.495 77.2 102.0 -75.3 -4.8 24.7 -32.0 16.6 38 38 A S > - 0 0 51 1,-0.2 4,-1.8 -13,-0.0 5,-0.1 -0.735 58.3-161.5 -88.9 117.7 24.0 -32.3 20.4 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.880 96.0 56.1 -61.5 -37.7 21.1 -30.4 21.7 40 40 A N H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 105.3 51.6 -61.8 -39.4 22.5 -30.8 25.2 41 41 A A H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 110.4 49.0 -59.6 -41.7 25.8 -29.2 24.0 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.897 109.1 52.2 -67.1 -39.1 23.8 -26.3 22.6 43 43 A K H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.875 108.7 50.9 -64.5 -38.2 21.9 -25.9 25.9 44 44 A S H X S+ 0 0 77 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.883 109.8 49.6 -66.1 -39.3 25.2 -25.7 27.8 45 45 A E H X S+ 0 0 71 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 110.9 51.5 -63.1 -39.7 26.4 -23.0 25.4 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.941 109.3 47.5 -64.4 -48.6 23.2 -21.1 25.9 47 47 A D H X>S+ 0 0 40 -4,-2.4 4,-2.9 1,-0.2 5,-1.0 0.910 112.6 50.3 -59.0 -42.9 23.4 -21.2 29.7 48 48 A K H <5S+ 0 0 149 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.897 112.0 48.4 -61.2 -40.2 27.1 -20.1 29.6 49 49 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 120.3 34.9 -68.8 -39.6 26.1 -17.2 27.3 50 50 A I H <5S- 0 0 37 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.749 103.7-124.8 -88.8 -30.4 23.2 -16.0 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.724 77.4 69.8 90.9 23.3 24.6 -16.8 32.8 52 52 A R S - 0 0 10 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.686 32.8-144.9 -92.6 -24.0 17.8 -21.5 30.8 55 55 A N T 3 S- 0 0 114 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.868 73.9 -54.1 52.4 39.2 16.7 -25.0 29.7 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.526 117.8 98.6 81.3 6.8 16.7 -23.7 26.1 57 57 A V B < +C 16 0B 73 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.991 43.1 174.8-130.4 136.3 14.4 -20.7 26.5 58 58 A I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.825 28.1-108.9-130.1 170.4 15.3 -17.1 26.9 59 59 A T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.481 32.8-107.6 -92.8 169.1 13.5 -13.7 27.2 60 60 A K H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 121.1 53.9 -62.7 -39.0 13.3 -11.0 24.5 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 109.9 46.9 -59.9 -46.1 15.6 -8.8 26.7 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.896 110.8 52.5 -64.6 -40.5 18.2 -11.6 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.927 110.1 48.2 -58.3 -45.0 17.9 -12.2 23.1 64 64 A E H X S+ 0 0 80 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.822 107.6 56.3 -68.5 -29.5 18.6 -8.5 22.5 65 65 A K H X S+ 0 0 131 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.953 108.8 45.0 -67.0 -48.7 21.5 -8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.892 112.5 54.2 -60.3 -38.4 23.2 -11.4 22.9 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.938 107.2 49.0 -61.7 -48.2 22.4 -9.5 19.7 68 68 A N H X S+ 0 0 87 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.930 113.5 47.3 -57.1 -45.5 24.1 -6.3 20.9 69 69 A Q H X S+ 0 0 93 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.900 112.1 50.8 -61.2 -40.6 27.2 -8.3 21.9 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.875 111.9 45.2 -68.6 -41.0 27.2 -10.1 18.6 71 71 A V H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.957 114.4 49.5 -64.9 -50.1 26.9 -6.9 16.5 72 72 A D H X S+ 0 0 90 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.937 112.8 47.5 -51.8 -50.3 29.6 -5.2 18.6 73 73 A A H X S+ 0 0 57 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.877 109.5 53.4 -62.4 -39.3 31.9 -8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.941 113.2 43.0 -60.0 -49.8 31.3 -8.4 14.5 75 75 A V H X S+ 0 0 33 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.950 114.0 48.9 -61.2 -52.0 32.3 -4.8 14.0 76 76 A R H X S+ 0 0 119 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.860 110.8 53.5 -61.1 -33.2 35.3 -4.9 16.4 77 77 A G H >X S+ 0 0 4 -4,-2.2 3,-0.8 -5,-0.3 4,-0.7 0.908 105.2 51.9 -65.7 -45.9 36.4 -8.1 14.6 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.5 0.931 107.9 53.1 -53.3 -47.6 36.3 -6.4 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.705 111.3 46.9 -64.8 -18.7 38.5 -3.6 12.6 80 80 A R H << S+ 0 0 173 -3,-0.8 2,-0.6 -4,-0.7 -1,-0.3 0.467 92.0 93.4 -99.6 -6.6 41.0 -6.2 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.1 3,-0.3 0.846 100.7 68.9 -88.3 -37.7 38.6 -6.6 6.1 85 85 A K H X S+ 0 0 83 -4,-2.5 4,-3.0 -7,-0.5 5,-0.2 0.867 97.9 50.1 -56.0 -44.8 39.5 -3.3 7.8 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.896 114.0 46.0 -64.3 -36.4 40.7 -1.4 4.6 87 87 A V H > S+ 0 0 4 -4,-0.5 4,-0.8 -3,-0.3 3,-0.4 0.948 114.1 48.0 -67.5 -48.3 37.6 -2.4 2.7 88 88 A Y H >< S+ 0 0 30 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.923 110.8 51.4 -55.6 -47.7 35.3 -1.4 5.6 89 89 A D H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 105.7 56.3 -63.1 -28.0 37.2 1.9 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.673 96.5 87.5 -77.3 -16.8 36.7 2.7 2.4 91 91 A L S << S- 0 0 5 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.458 76.2-118.7 -89.2 154.8 32.9 2.4 2.6 92 92 A D > - 0 0 54 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.330 44.9 -94.1 -72.6 169.1 30.0 4.7 3.4 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.814 122.4 51.4 -63.2 -34.6 27.8 3.9 6.4 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.951 113.8 43.2 -68.9 -48.1 25.1 2.1 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.834 107.8 61.0 -68.2 -30.9 27.6 -0.2 2.7 96 96 A R H X S+ 0 0 80 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.912 102.2 52.7 -57.2 -42.6 29.5 -0.7 6.0 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.903 105.3 54.7 -60.5 -41.1 26.3 -2.2 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.913 108.9 47.7 -58.3 -42.0 26.1 -4.6 4.5 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.910 110.7 50.6 -68.7 -39.9 29.7 -5.8 5.3 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.909 106.7 56.9 -59.8 -41.7 28.8 -6.2 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.933 107.1 47.4 -54.9 -48.9 25.8 -8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.908 112.7 48.5 -59.8 -44.6 28.0 -10.7 6.0 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 108.8 54.2 -63.1 -41.9 30.4 -11.1 8.9 104 104 A F H < S+ 0 0 29 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.928 115.9 39.6 -54.6 -45.4 27.5 -11.6 11.2 105 105 A Q H < S+ 0 0 53 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 134.0 14.5 -76.3 -43.0 26.2 -14.4 9.0 106 106 A M H X S- 0 0 52 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.494 100.8-117.5-119.2 -2.4 29.4 -16.2 8.0 107 107 A G H X - 0 0 30 -4,-2.5 4,-2.4 -5,-0.4 5,-0.2 0.075 37.6 -72.8 83.8 161.2 32.2 -15.0 10.3 108 108 A E H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.864 131.0 51.8 -59.9 -41.7 35.4 -13.0 9.5 109 109 A T H > S+ 0 0 126 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.928 109.8 50.3 -62.8 -44.6 37.1 -16.0 7.9 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-1.1 1,-0.2 -2,-0.2 0.948 112.7 45.1 -55.9 -52.2 34.1 -16.6 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.854 104.5 62.5 -64.3 -33.7 34.0 -13.0 4.5 112 112 A A H >< S+ 0 0 15 -4,-2.3 3,-0.7 1,-0.3 -1,-0.3 0.770 93.4 66.7 -60.7 -22.3 37.8 -12.9 4.0 113 113 A G T << S+ 0 0 62 -3,-1.1 3,-0.3 -4,-0.8 -1,-0.3 0.502 84.2 73.1 -77.1 -3.8 37.1 -15.6 1.3 114 114 A F T X> + 0 0 27 -3,-2.1 4,-2.9 1,-0.2 3,-0.7 -0.029 57.2 135.2 -97.6 30.2 35.3 -13.0 -0.8 115 115 A C H <> + 0 0 55 -3,-0.7 4,-2.3 1,-0.3 5,-0.2 0.812 67.2 55.7 -50.8 -38.9 38.6 -11.3 -1.7 116 116 A N H 3> S+ 0 0 116 -3,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.938 115.0 39.3 -59.2 -45.6 37.6 -10.9 -5.4 117 117 A S H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.887 112.0 56.9 -69.7 -41.8 34.4 -9.1 -4.4 118 118 A L H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.878 104.4 52.9 -60.3 -40.5 36.1 -7.1 -1.6 119 119 A C H X S+ 0 0 64 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.901 109.4 49.1 -60.4 -41.9 38.6 -5.7 -4.1 120 120 A M H <>S+ 0 0 45 -4,-1.2 5,-2.5 2,-0.2 4,-0.4 0.890 110.8 49.9 -66.1 -39.5 35.8 -4.5 -6.4 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.921 108.9 51.8 -63.6 -43.2 34.0 -2.9 -3.4 122 122 A Q H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.860 110.4 49.4 -61.6 -34.6 37.2 -1.1 -2.4 123 123 A Q T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.531 112.9-123.9 -80.2 -6.9 37.5 0.2 -6.0 124 124 A K T < 5 + 0 0 102 -3,-1.3 2,-1.1 -4,-0.4 -3,-0.2 0.835 61.9 145.6 64.0 35.9 33.8 1.3 -5.9 125 125 A R >< + 0 0 130 -5,-2.5 4,-2.9 1,-0.2 5,-0.2 -0.698 22.3 173.9 -98.0 76.6 32.9 -0.8 -8.9 126 126 A W H > + 0 0 50 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.850 69.0 45.0 -63.7 -44.1 29.4 -1.4 -7.4 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 116.2 47.4 -66.8 -43.0 27.7 -3.2 -10.3 128 128 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.910 111.6 50.7 -63.3 -44.8 30.8 -5.4 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.919 108.2 53.1 -56.7 -45.1 31.1 -6.2 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.891 109.2 48.7 -61.0 -40.6 27.4 -7.1 -7.1 131 131 A V H < S+ 0 0 88 -4,-2.0 4,-0.4 1,-0.2 3,-0.4 0.920 113.8 46.5 -62.6 -44.3 27.8 -9.6 -10.0 132 132 A N H >< S+ 0 0 32 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.876 105.5 59.2 -68.5 -37.0 30.9 -11.1 -8.3 133 133 A L H 3< S+ 0 0 0 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.803 100.3 57.4 -60.8 -30.9 29.2 -11.4 -4.9 134 134 A A T 3< S+ 0 0 27 -4,-1.0 2,-1.7 -3,-0.4 -1,-0.3 0.606 84.6 83.5 -78.9 -11.5 26.4 -13.6 -6.4 135 135 A K S < S+ 0 0 157 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.556 80.5 96.1 -88.3 71.3 29.0 -16.1 -7.6 136 136 A S S > S- 0 0 17 -2,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.996 85.4-117.9-157.9 151.5 29.1 -17.8 -4.2 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.901 115.6 63.1 -55.9 -41.4 27.8 -20.7 -2.1 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.928 104.5 43.4 -48.7 -53.5 26.4 -17.9 0.1 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.3 49.2 -64.3 -40.4 24.1 -16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 116.4 40.3 -68.5 -38.5 23.0 -20.0 -3.8 141 141 A Q H < S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.831 133.1 21.6 -83.2 -33.9 22.1 -21.2 -0.3 142 142 A T S X S+ 0 0 18 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.549 74.2 158.7-129.6 70.2 20.5 -18.0 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.855 69.8 51.5 -69.1 -38.6 19.5 -16.2 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.941 116.7 40.0 -65.5 -45.3 16.8 -13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.932 115.8 51.0 -65.2 -47.7 19.1 -12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 -8,-0.2 5,-0.2 0.913 107.9 54.2 -56.0 -43.6 22.1 -12.4 -0.3 147 147 A K H X S+ 0 0 98 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.908 108.9 48.1 -57.8 -41.8 20.1 -10.4 -2.8 148 148 A R H X S+ 0 0 56 -4,-1.7 4,-1.6 2,-0.2 12,-0.2 0.930 114.5 44.9 -63.6 -45.8 19.1 -7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.901 113.8 50.1 -66.4 -40.1 22.7 -7.5 1.1 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.894 107.8 52.8 -66.4 -39.0 24.0 -7.3 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.871 107.4 53.6 -61.7 -35.3 21.4 -4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.919 111.4 44.3 -68.0 -43.2 22.7 -2.6 -0.4 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.1 50.1 -64.9 -38.1 26.3 -2.9 -1.7 154 154 A R H < S+ 0 0 108 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.919 126.1 21.5 -68.5 -42.5 25.2 -2.0 -5.3 155 155 A T H < S- 0 0 39 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.657 85.4-135.1-101.9 -25.0 23.1 1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.756 73.4 108.0 65.3 23.2 24.4 2.3 -1.1 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.795 80.0-122.2-121.0 169.2 20.7 2.7 -0.2 158 158 A W S >> S+ 0 0 55 -2,-0.3 3,-2.3 1,-0.2 4,-0.7 0.152 70.5 123.7 -92.9 17.9 18.3 0.8 2.2 159 159 A D G >4 + 0 0 91 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.796 67.0 56.7 -51.6 -37.3 15.9 0.1 -0.7 160 160 A A G 34 S+ 0 0 22 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.631 112.8 41.6 -72.7 -12.6 16.0 -3.7 -0.2 161 161 A Y G X4 S+ 0 0 1 -3,-2.3 3,-1.1 -13,-0.1 -1,-0.2 0.427 87.1 98.7-111.4 -1.8 14.9 -3.3 3.5 162 162 A K T << S+ 0 0 139 -4,-0.7 -2,-0.1 -3,-0.7 -3,-0.1 0.888 88.5 34.7 -55.5 -54.8 12.2 -0.6 3.0 163 163 A N T 3 0 0 158 -4,-0.4 -1,-0.3 -3,-0.0 -2,-0.1 0.311 360.0 360.0 -86.9 9.4 9.0 -2.7 2.9 164 164 A L < 0 0 122 -3,-1.1 -155,-0.1 0, 0.0 -3,-0.1 -0.568 360.0 360.0-105.5 360.0 10.3 -5.2 5.5