==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-04 1T6H . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR G.SPRAGGON,J.XIE,L.WANG,N.WU,A.BROCK,P.G.SCHULTZ . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 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 . 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 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 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 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 59 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.1 52.8 15.5 39.6 2 2 A N > - 0 0 67 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.907 360.0 -79.1-156.2 177.3 50.2 17.8 38.0 3 3 A I H > S+ 0 0 19 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.817 125.8 51.5 -56.1 -38.7 46.4 18.1 37.4 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 113.8 42.0 -66.7 -46.9 46.4 15.6 34.5 5 5 A E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.891 115.4 53.2 -67.2 -34.7 48.4 12.9 36.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.945 112.3 41.1 -65.7 -52.2 46.3 13.6 39.5 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.835 110.5 59.2 -68.2 -31.5 42.9 13.2 37.8 8 8 A R H X S+ 0 0 105 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.908 108.4 46.0 -62.7 -39.3 44.3 10.2 35.9 9 9 A I H < S+ 0 0 48 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.957 117.8 42.5 -62.8 -50.1 44.9 8.5 39.2 10 10 A D H < S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.827 124.7 32.5 -68.7 -33.0 41.5 9.5 40.6 11 11 A E H < S- 0 0 41 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.658 91.7-151.4-100.5 -21.9 39.4 8.7 37.5 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.2 -0.212 23.2 -89.3 73.4-174.3 41.2 5.7 35.9 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.953 44.7 166.8-138.6 119.4 41.2 5.0 32.2 14 14 A R E -A 28 0A 143 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -1.000 22.8-160.6-134.6 135.4 38.6 2.8 30.5 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.417 75.1 64.5 -97.2 -2.1 38.0 2.6 26.8 16 16 A K E S-C 57 0B 108 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.933 100.2 -88.4-118.8 149.6 34.5 1.2 27.0 17 17 A I E + 0 0 20 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.252 57.2 167.4 -55.3 133.6 31.4 2.9 28.4 18 18 A Y E -A 26 0A 27 8,-3.0 8,-3.1 6,-0.1 2,-0.5 -0.855 37.7-100.4-138.0 173.6 31.1 2.2 32.1 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.896 34.0-139.4-101.5 132.6 29.1 3.6 35.1 20 20 A D > - 0 0 48 4,-2.5 3,-1.9 -2,-0.5 -1,-0.1 0.013 43.3 -77.4 -73.5-171.9 30.8 6.0 37.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.717 133.6 52.3 -66.5 -21.7 30.4 5.9 41.2 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.364 122.7-103.2 -92.9 2.5 27.0 7.6 40.9 23 23 A G S < S+ 0 0 38 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.528 76.0 138.1 89.0 10.0 25.7 5.0 38.4 24 24 A Y - 0 0 74 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.718 61.6-101.4-100.3 139.9 26.0 7.3 35.3 25 25 A Y E +A 19 0A 34 9,-0.5 8,-2.7 11,-0.4 9,-1.3 -0.311 54.2 160.4 -61.3 129.5 27.4 6.3 31.9 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-3.0 6,-0.3 2,-0.3 -0.893 19.1-167.7-146.3 158.4 31.0 7.5 31.5 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.1 -2,-0.3 2,-0.2 -0.970 52.1 3.1-147.8 164.4 34.0 6.7 29.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-0.9 -0.402 123.7 -5.0 71.8-130.0 37.7 7.4 29.2 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.713 128.4 -53.8-102.9 73.8 39.2 9.4 32.1 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.776 82.9 162.7 62.9 29.9 36.0 10.2 34.0 31 31 A H E < -B 27 0A 30 -4,-2.1 -4,-1.7 -20,-0.1 -1,-0.2 -0.706 31.6-143.5 -82.1 102.7 34.2 11.7 31.0 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.415 19.6-177.6 -62.7 126.8 30.5 11.8 32.0 33 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.877 59.3 -27.6 -94.1 -47.4 28.3 11.1 28.9 34 34 A T - 0 0 28 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.982 34.2-135.7-163.6 154.7 24.9 11.4 30.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.514 75.4 111.6 -89.3 -7.8 22.8 11.1 33.6 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.345 71.8-135.1 -62.3 141.0 20.1 9.2 31.5 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.435 76.7 105.2 -74.9 2.3 19.6 5.5 32.3 38 38 A S > - 0 0 51 1,-0.2 4,-1.7 2,-0.0 5,-0.1 -0.765 57.0-161.6 -90.9 116.6 19.5 4.8 28.5 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.834 95.2 57.5 -59.9 -36.5 22.7 3.2 27.1 40 40 A N H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 103.8 52.0 -60.7 -42.3 21.6 4.3 23.7 41 41 A A H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.920 110.4 48.8 -59.2 -43.4 21.5 7.9 24.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.900 110.1 51.1 -61.9 -44.3 25.1 7.5 26.2 43 43 A K H X S+ 0 0 51 -4,-2.4 4,-2.4 2,-0.2 11,-0.3 0.875 108.5 51.5 -62.9 -37.9 26.3 6.0 22.9 44 44 A S H X S+ 0 0 74 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.915 110.5 48.7 -64.6 -42.4 24.8 8.9 21.0 45 45 A E H X S+ 0 0 69 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.899 111.6 50.7 -61.5 -42.1 26.6 11.4 23.3 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.921 109.8 48.3 -63.0 -47.0 29.8 9.5 22.8 47 47 A D H X>S+ 0 0 33 -4,-2.4 4,-2.4 1,-0.2 5,-1.0 0.910 113.5 48.0 -59.5 -44.5 29.5 9.5 19.0 48 48 A K H <5S+ 0 0 145 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.882 112.2 50.5 -60.4 -41.0 28.8 13.3 19.1 49 49 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 120.5 33.1 -65.9 -38.5 31.8 13.8 21.4 50 50 A I H <5S- 0 0 38 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.706 103.6-125.1 -95.7 -24.7 34.2 11.9 19.2 51 51 A G T <5S+ 0 0 68 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.708 77.8 72.3 84.1 21.7 32.8 12.7 15.8 52 52 A R S - 0 0 9 -2,-0.9 3,-1.1 -11,-0.3 -1,-0.2 0.712 30.7-146.9 -94.9 -31.9 31.9 4.5 18.1 55 55 A N T 3 S- 0 0 114 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.884 75.1 -54.4 54.7 40.9 29.5 1.8 19.2 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.481 117.5 99.1 79.5 6.8 30.7 2.4 22.8 57 57 A V B < +C 16 0B 71 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.987 42.4 174.2-129.9 134.8 34.4 2.0 22.3 58 58 A I - 0 0 4 -43,-2.1 2,-0.1 -2,-0.4 -30,-0.1 -0.846 29.1-108.2-128.9 169.8 37.2 4.6 21.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.471 32.8-107.6 -91.5 169.5 41.0 4.7 21.6 60 60 A K H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.895 121.9 54.3 -60.3 -44.4 43.4 5.9 24.2 61 61 A D H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 109.1 48.0 -55.1 -44.3 44.1 8.9 22.1 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 110.6 51.3 -66.4 -39.2 40.4 9.7 21.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -34,-0.4 0.891 110.4 49.1 -64.7 -39.7 40.1 9.3 25.7 64 64 A E H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.808 107.9 54.7 -70.7 -29.9 43.0 11.7 26.3 65 65 A K H X S+ 0 0 139 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.951 110.0 45.7 -66.4 -49.0 41.5 14.3 23.9 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.893 112.1 53.6 -56.7 -40.4 38.2 14.3 25.9 67 67 A F H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.940 107.8 48.6 -62.2 -48.6 40.3 14.5 29.0 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.900 113.5 47.8 -56.4 -44.8 42.2 17.6 27.8 69 69 A Q H X S+ 0 0 89 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.893 112.3 50.0 -62.9 -42.0 38.9 19.3 26.8 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.850 112.2 45.4 -68.5 -40.2 37.4 18.4 30.2 71 71 A V H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.936 113.8 50.0 -66.3 -47.6 40.3 19.8 32.2 72 72 A D H X S+ 0 0 88 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.938 111.9 48.8 -54.5 -49.0 40.4 22.9 30.0 73 73 A A H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.839 108.7 52.8 -63.4 -37.1 36.6 23.4 30.5 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.943 112.1 45.4 -62.4 -48.9 36.9 22.9 34.3 75 75 A V H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.946 113.9 47.5 -60.2 -49.6 39.5 25.6 34.5 76 76 A R H X S+ 0 0 112 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.870 111.9 52.7 -61.1 -38.0 37.6 28.1 32.2 77 77 A G H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.896 107.9 49.2 -59.9 -47.6 34.5 27.4 34.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 7,-0.4 0.946 110.7 51.2 -56.3 -49.8 36.3 28.2 37.6 79 79 A L H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.755 111.7 47.2 -65.5 -23.4 37.6 31.4 36.1 80 80 A R H 3< S+ 0 0 177 -4,-1.2 2,-0.6 -3,-0.2 -1,-0.3 0.460 93.8 93.8 -93.0 -4.6 34.1 32.4 34.9 81 81 A N S+ 0 0 141 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.864 120.5 38.3 -85.8 -37.0 32.3 32.2 43.8 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.7 2,-0.2 3,-0.4 0.833 102.3 68.5 -84.8 -36.1 35.2 30.0 42.6 85 85 A K H X S+ 0 0 85 -4,-2.8 4,-3.0 -7,-0.4 5,-0.2 0.912 99.8 48.3 -56.8 -48.4 37.4 32.4 40.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.843 113.4 49.2 -59.6 -34.4 38.5 34.4 44.0 87 87 A V H X S+ 0 0 1 -4,-0.5 4,-0.8 -3,-0.4 3,-0.5 0.963 112.3 46.9 -68.4 -53.1 39.3 31.1 45.8 88 88 A Y H >< S+ 0 0 36 -4,-2.7 3,-1.1 1,-0.2 -3,-0.2 0.920 111.6 51.3 -49.9 -50.5 41.3 29.8 42.8 89 89 A D H 3< S+ 0 0 79 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.804 107.7 54.4 -62.5 -27.4 43.2 33.1 42.6 90 90 A S H 3< S+ 0 0 34 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.679 98.0 83.4 -78.2 -17.7 44.0 32.9 46.3 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.8 31,-0.0 -0.523 76.8-118.0 -95.2 151.9 45.6 29.5 46.1 92 92 A D > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.304 44.9 -93.6 -70.5 169.5 49.0 28.2 45.2 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.815 122.3 50.5 -62.1 -37.9 49.4 25.8 42.2 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.951 113.8 44.0 -66.8 -48.9 49.1 22.5 44.2 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.832 106.8 61.4 -66.4 -31.0 45.9 23.6 46.0 96 96 A R H X S+ 0 0 75 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.871 100.6 55.2 -59.7 -37.7 44.5 25.0 42.7 97 97 A C H X S+ 0 0 13 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.875 102.6 55.3 -63.5 -37.3 44.7 21.5 41.4 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.907 108.9 48.6 -55.7 -43.9 42.6 20.3 44.4 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.918 110.6 48.7 -68.3 -41.3 40.0 22.8 43.3 100 100 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.886 109.2 55.0 -63.7 -39.7 40.0 21.7 39.7 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 109.0 46.9 -58.8 -47.8 39.8 18.0 40.8 102 102 A M H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.929 113.3 47.7 -61.5 -45.2 36.6 18.8 42.8 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 110.5 52.6 -62.9 -41.6 35.0 20.7 39.9 104 104 A F H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.909 116.3 40.8 -58.7 -41.7 35.9 17.9 37.5 105 105 A Q H < S+ 0 0 50 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.921 135.2 12.4 -73.5 -47.2 34.2 15.4 39.8 106 106 A M H X S- 0 0 56 -4,-2.9 4,-0.5 -5,-0.2 -3,-0.2 0.443 103.1-115.5-118.9 -1.5 31.1 17.3 40.9 107 107 A G H X - 0 0 30 -4,-2.6 4,-2.0 -5,-0.4 5,-0.2 0.144 35.5 -73.4 79.5 160.5 30.8 20.3 38.7 108 108 A E H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 126.6 52.2 -55.5 -50.6 31.0 24.1 39.4 109 109 A T H > S+ 0 0 126 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.915 109.9 49.0 -56.5 -47.6 27.6 24.4 41.1 110 110 A G H < S+ 0 0 33 -4,-0.5 3,-0.4 2,-0.2 -1,-0.2 0.903 114.5 43.7 -61.5 -44.6 28.4 21.6 43.5 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.916 108.2 59.1 -67.0 -40.3 31.8 23.0 44.5 112 112 A A H 3< S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 96.2 64.8 -63.5 -20.9 30.4 26.6 44.7 113 113 A G T 3< S+ 0 0 56 -4,-1.1 2,-0.8 -3,-0.4 -1,-0.3 0.453 75.5 86.7 -79.3 -3.3 28.0 25.2 47.4 114 114 A F <> + 0 0 36 -3,-2.4 4,-2.8 1,-0.2 5,-0.3 -0.292 56.4 154.3 -85.9 49.1 30.9 24.4 49.7 115 115 A T H > + 0 0 90 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.848 65.8 44.4 -49.0 -49.1 30.6 28.1 50.9 116 116 A N H > S+ 0 0 98 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.898 114.8 47.6 -69.8 -40.3 32.0 27.6 54.4 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.908 110.5 53.1 -64.4 -42.2 35.0 25.5 53.2 118 118 A L H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.880 108.1 50.5 -62.5 -41.4 35.7 28.0 50.5 119 119 A R H X S+ 0 0 100 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.929 111.0 48.7 -59.3 -45.5 35.8 30.8 53.0 120 120 A M H <>S+ 0 0 29 -4,-2.0 5,-2.6 1,-0.2 4,-0.3 0.889 111.3 50.1 -65.2 -37.9 38.2 28.8 55.2 121 121 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.924 109.4 50.5 -64.0 -45.1 40.5 28.0 52.2 122 122 A Q H 3<5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.811 110.9 49.5 -62.2 -32.3 40.5 31.7 51.3 123 123 A Q T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.466 113.4-123.6 -79.4 -8.1 41.5 32.5 54.9 124 124 A K T < 5 + 0 0 96 -3,-1.3 2,-1.4 -4,-0.3 -3,-0.2 0.775 60.6 148.7 62.3 34.8 44.3 29.8 54.6 125 125 A R >< + 0 0 121 -5,-2.6 4,-2.6 1,-0.2 5,-0.2 -0.637 19.7 173.0 -91.4 75.4 42.8 28.0 57.7 126 126 A W H > + 0 0 50 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.830 67.9 44.3 -65.6 -43.2 44.0 24.7 56.2 127 127 A D H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 116.9 47.1 -69.1 -40.3 43.3 22.3 59.1 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.877 111.3 50.8 -70.0 -37.0 39.9 23.8 59.7 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.902 108.9 52.9 -63.5 -42.3 39.0 23.7 56.0 130 130 A A H X S+ 0 0 9 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.895 109.8 47.7 -61.7 -41.1 40.0 20.1 55.9 131 131 A V H < S+ 0 0 85 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.914 114.3 46.8 -64.6 -45.1 37.7 19.2 58.8 132 132 A N H >< S+ 0 0 38 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.890 106.4 57.4 -67.0 -38.7 34.8 21.1 57.2 133 133 A L H 3< S+ 0 0 1 -4,-2.7 6,-0.4 1,-0.3 -1,-0.2 0.834 101.0 58.4 -60.8 -33.9 35.3 19.6 53.7 134 134 A A T 3< S+ 0 0 28 -4,-1.2 2,-1.6 -3,-0.2 -1,-0.3 0.628 84.8 81.3 -74.2 -15.1 34.9 16.1 55.2 135 135 A K S < S+ 0 0 157 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.577 81.9 99.2 -86.7 69.2 31.4 17.0 56.5 136 136 A S S > S- 0 0 17 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.996 84.4-120.2-156.3 148.8 29.9 16.3 53.1 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.920 115.1 61.7 -53.0 -44.6 28.1 13.8 51.0 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.909 106.4 42.5 -49.6 -50.2 31.1 14.0 48.7 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.910 115.1 49.3 -67.5 -44.0 33.5 12.7 51.4 140 140 A N H < S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 116.4 41.3 -65.3 -35.1 31.1 10.0 52.6 141 141 A Q H < S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.812 133.0 21.6 -85.7 -32.8 30.4 8.6 49.1 142 142 A T S X S+ 0 0 17 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.546 74.1 158.0-131.0 70.0 34.0 8.8 47.8 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 70.9 51.2 -67.5 -37.1 36.1 8.9 51.0 144 144 A N H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.932 116.4 40.9 -67.3 -43.0 39.4 7.7 49.6 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 115.5 50.3 -66.3 -45.9 39.4 10.3 46.8 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.892 107.8 54.4 -60.3 -42.4 38.1 13.0 49.1 147 147 A K H X S+ 0 0 103 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.888 109.3 47.9 -57.8 -42.9 40.9 12.2 51.6 148 148 A R H X S+ 0 0 61 -4,-1.7 4,-1.7 2,-0.2 12,-0.2 0.919 114.9 45.0 -63.4 -42.7 43.5 12.6 48.9 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 114.3 49.0 -68.3 -44.6 42.0 15.9 47.7 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.874 109.0 52.3 -60.3 -44.0 41.6 17.2 51.3 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.867 108.6 52.0 -59.7 -37.9 45.3 16.2 52.1 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.912 112.6 44.2 -64.1 -45.0 46.3 18.2 49.1 153 153 A X H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.838 116.5 48.2 -67.1 -35.7 44.3 21.3 50.3 154 154 A R H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.894 126.5 22.9 -72.1 -42.4 45.6 20.8 53.9 155 155 A T H < S- 0 0 44 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.695 86.1-135.4-100.9 -23.2 49.4 20.4 53.0 156 156 A G S < S+ 0 0 18 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.768 73.2 107.1 59.3 29.0 49.8 22.1 49.7 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.839 79.7-123.0-123.5 169.2 51.9 19.0 48.7 158 158 A W S > S+ 0 0 38 -2,-0.3 3,-2.0 1,-0.2 4,-0.5 0.071 70.2 123.0 -93.3 20.8 51.3 16.0 46.5 159 159 A D G > + 0 0 106 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.833 68.6 57.1 -57.8 -36.0 52.0 13.5 49.3 160 160 A A G 3 S+ 0 0 16 -3,-0.3 -1,-0.3 -12,-0.2 3,-0.1 0.630 110.1 45.4 -70.3 -13.6 48.6 11.8 48.9 161 161 A Y G X S+ 0 0 1 -3,-2.0 3,-0.6 1,-0.1 -1,-0.2 0.380 92.1 80.7-108.9 2.8 49.4 11.1 45.2 162 162 A K T < S+ 0 0 133 -3,-1.0 -2,-0.1 -4,-0.5 -1,-0.1 0.496 80.0 61.6 -99.1 -2.0 53.0 9.7 45.4 163 163 A N T 3 0 0 141 -4,-0.3 -1,-0.2 -3,-0.1 -3,-0.1 0.132 360.0 360.0 -94.0 22.5 52.4 6.1 46.5 164 164 A L < 0 0 144 -3,-0.6 -2,-0.1 0, 0.0 -3,-0.1 0.099 360.0 360.0-136.9 360.0 50.5 5.6 43.3