==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-03 1PQO . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.MOOERS,D.DATTA,W.A.BAASE,E.S.ZOLLARS,S.L.MAYO, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 0 3 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 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.5 42.9 -1.6 8.8 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.910 360.0 -82.9-158.3 172.2 39.7 -0.6 10.6 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.848 125.6 50.4 -54.8 -38.5 37.6 2.5 11.1 4 4 A F H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.958 114.2 42.1 -69.6 -46.5 39.7 3.6 14.0 5 5 A E H > S+ 0 0 93 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.847 115.2 53.2 -67.8 -29.7 43.0 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.2 0.961 113.4 40.2 -66.9 -52.4 41.4 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.867 109.9 61.2 -64.5 -34.9 40.2 7.8 10.8 8 8 A R H X S+ 0 0 98 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.885 107.8 45.2 -59.6 -35.4 43.4 8.0 12.8 9 9 A I H < S+ 0 0 49 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.927 115.8 44.9 -73.6 -44.1 45.1 8.4 9.5 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.757 123.4 33.3 -71.0 -27.4 42.7 11.0 8.1 11 11 A E H < S- 0 0 41 -4,-2.8 19,-0.5 -5,-0.2 -1,-0.2 0.640 92.0-152.1-105.7 -16.9 42.5 13.1 11.2 12 12 A G < - 0 0 24 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.1 -0.130 24.3 -89.7 71.4-174.2 45.9 12.9 12.7 13 13 A L + 0 0 51 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.975 45.2 167.7-140.6 121.7 46.5 13.3 16.5 14 14 A R E -A 28 0A 138 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.999 22.2-159.5-137.4 133.9 47.2 16.7 18.2 15 15 A L E S+ 0 0 51 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.419 73.6 66.5 -96.8 1.3 47.1 17.3 21.9 16 16 A K E S-C 57 0B 111 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.931 98.9 -91.2-121.7 147.1 46.7 21.0 21.8 17 17 A I E + 0 0 28 39,-1.8 2,-0.3 -2,-0.4 10,-0.2 -0.317 58.4 164.9 -55.1 135.6 43.6 22.8 20.5 18 18 A Y E -A 26 0A 30 8,-3.4 8,-3.7 6,-0.1 2,-0.5 -0.900 38.3 -95.9-146.8 170.9 44.1 23.6 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.808 34.9-138.1 -98.4 137.0 42.0 24.7 13.8 20 20 A D > - 0 0 44 4,-3.1 3,-2.1 -2,-0.5 -1,-0.1 -0.019 40.5 -81.2 -77.6-170.6 40.7 22.1 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.723 133.6 51.6 -64.0 -22.0 40.6 22.4 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.373 125.6-102.7 -92.8 0.5 37.6 24.5 7.9 23 23 A G S < S+ 0 0 39 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.632 75.0 141.6 87.7 16.6 39.2 26.8 10.3 24 24 A Y - 0 0 71 1,-0.1 -4,-3.1 9,-0.0 -1,-0.3 -0.773 59.7-102.7-104.0 142.9 37.4 25.3 13.4 25 25 A Y E +A 19 0A 36 11,-0.5 8,-3.1 9,-0.4 9,-1.2 -0.275 56.3 156.8 -54.7 123.2 38.8 24.7 16.9 26 26 A T E -AB 18 32A 2 -8,-3.7 -8,-3.4 6,-0.3 2,-0.3 -0.953 21.4-167.5-146.6 162.7 39.5 21.0 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.1 -2,-0.3 2,-0.3 -0.973 51.3 3.7-148.8 165.3 41.7 18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-0.8 -0.478 122.6 -5.7 70.4-128.0 42.9 15.1 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.2 -0.732 128.4 -53.4-107.6 74.3 41.8 12.9 16.6 30 30 A G T 4 S+ 0 0 12 -2,-0.8 2,-1.2 -19,-0.5 -2,-0.2 0.812 81.6 164.2 61.0 35.3 39.5 15.2 14.8 31 31 A H E < -B 27 0A 29 -4,-2.1 -4,-1.8 -20,-0.1 -1,-0.2 -0.696 31.1-143.8 -85.6 100.2 37.4 16.0 17.8 32 32 A L E -B 26 0A 72 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.416 18.2-174.4 -61.3 128.0 35.5 19.2 16.7 33 33 A L - 0 0 13 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.888 55.9 -35.8 -94.3 -43.5 35.1 21.5 19.6 34 34 A T - 0 0 32 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.959 35.7-126.0-170.6 157.8 33.0 24.3 18.2 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.407 75.6 122.1 -90.0 0.5 32.4 26.3 15.2 36 36 A S - 0 0 33 2,-0.1 -11,-0.5 1,-0.1 -2,-0.1 -0.364 64.5-143.3 -69.0 136.2 32.9 29.3 17.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.439 77.3 101.2 -78.0 -1.7 35.6 31.8 16.5 38 38 A S > - 0 0 52 1,-0.2 4,-1.8 2,-0.1 5,-0.2 -0.790 56.5-165.4 -93.4 115.0 36.1 32.1 20.2 39 39 A L H > S+ 0 0 64 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.866 94.5 55.7 -62.2 -36.8 39.1 30.2 21.6 40 40 A N H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.926 105.3 52.8 -63.1 -38.1 37.8 30.6 25.0 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.923 109.3 48.6 -59.9 -43.6 34.6 29.0 23.8 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.847 108.9 53.2 -64.8 -37.3 36.5 26.1 22.5 43 43 A K H X S+ 0 0 56 -4,-2.6 4,-2.1 2,-0.2 11,-0.2 0.872 107.7 51.2 -67.2 -36.7 38.4 25.8 25.7 44 44 A S H X S+ 0 0 77 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 110.0 48.9 -66.6 -40.9 35.1 25.7 27.6 45 45 A E H X S+ 0 0 69 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.901 110.0 54.0 -64.2 -38.5 33.8 22.9 25.3 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.944 107.7 47.0 -62.3 -48.2 37.1 21.0 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.1 4,-2.9 1,-0.2 5,-1.2 0.910 114.2 48.8 -59.6 -42.3 36.9 21.1 29.7 48 48 A K H <5S+ 0 0 145 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.902 112.1 49.0 -62.7 -44.8 33.2 20.0 29.6 49 49 A A H <5S+ 0 0 42 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.895 121.4 34.4 -61.9 -42.2 34.1 17.2 27.1 50 50 A I H <5S- 0 0 38 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.720 104.2-122.2 -86.4 -30.8 37.0 16.0 29.3 51 51 A G T <5S+ 0 0 66 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.696 78.7 69.7 94.1 19.3 35.7 16.6 32.7 52 52 A R S - 0 0 11 -2,-1.1 3,-0.7 -11,-0.2 -1,-0.2 0.715 36.8-140.3 -89.1 -26.8 42.5 21.6 30.8 55 55 A N T 3 S- 0 0 128 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.925 73.1 -58.9 63.9 37.0 43.6 24.9 29.6 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.599 114.2 100.6 65.1 20.3 43.5 23.5 25.9 57 57 A V B < +C 16 0B 53 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.996 44.4 177.2-135.3 132.4 45.9 20.5 26.3 58 58 A I - 0 0 4 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.841 27.5-106.1-130.1 168.2 45.0 16.9 26.8 59 59 A T > - 0 0 67 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.414 33.0-109.9 -88.0 168.6 46.8 13.6 27.1 60 60 A K H > S+ 0 0 106 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.909 121.6 53.7 -60.4 -42.5 46.9 10.8 24.4 61 61 A D H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.958 108.8 47.8 -56.9 -52.8 44.6 8.8 26.6 62 62 A E H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.906 109.6 52.7 -57.8 -42.3 42.2 11.6 26.7 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -34,-0.4 0.930 108.8 50.8 -60.6 -41.1 42.3 12.1 23.0 64 64 A E H X S+ 0 0 87 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.832 105.4 57.1 -65.4 -31.3 41.6 8.5 22.4 65 65 A K H X S+ 0 0 141 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.964 108.7 43.0 -66.6 -49.3 38.7 8.6 24.7 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.870 112.9 58.2 -61.6 -32.5 36.9 11.4 22.8 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.940 105.6 46.2 -61.7 -48.7 37.9 9.5 19.6 68 68 A N H X S+ 0 0 91 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.926 114.3 49.1 -60.4 -42.0 36.2 6.3 20.7 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.885 110.9 50.7 -62.8 -41.3 33.1 8.4 21.7 70 70 A D H X S+ 0 0 35 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.900 111.1 46.3 -64.8 -43.0 33.1 10.2 18.4 71 71 A V H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.963 113.9 49.0 -63.0 -52.5 33.3 7.0 16.3 72 72 A D H X S+ 0 0 81 -4,-2.5 4,-3.3 1,-0.3 -2,-0.2 0.928 111.7 49.3 -53.3 -46.3 30.6 5.4 18.3 73 73 A A H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.875 108.8 53.6 -65.2 -33.8 28.4 8.4 18.0 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.961 112.3 43.1 -66.0 -46.4 29.0 8.5 14.3 75 75 A V H X S+ 0 0 26 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.920 112.2 54.2 -61.3 -42.4 27.9 5.0 13.9 76 76 A R H X S+ 0 0 163 -4,-3.3 4,-1.0 -5,-0.3 -1,-0.2 0.862 107.3 50.6 -61.1 -34.5 25.0 5.6 16.2 77 77 A G H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.891 105.5 55.7 -69.9 -38.7 23.8 8.5 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 7,-0.3 0.933 108.4 48.7 -57.2 -47.5 24.0 6.5 11.0 79 79 A L H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 113.2 47.0 -65.1 -26.2 21.7 3.9 12.5 80 80 A R H 3< S+ 0 0 181 -4,-1.0 2,-0.6 -3,-0.2 -1,-0.2 0.492 95.0 88.8 -92.5 -10.4 19.2 6.5 13.7 81 81 A N XX - 0 0 21 -4,-1.1 4,-2.9 -3,-0.8 3,-1.7 -0.834 64.5-154.1 -98.3 120.4 19.1 8.4 10.4 82 82 A A T 34 S+ 0 0 88 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.714 94.8 54.8 -61.5 -23.4 16.5 7.1 8.0 83 83 A K T 34 S+ 0 0 127 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.568 119.8 30.5 -87.1 -7.7 18.5 8.4 5.0 84 84 A L T <> S+ 0 0 0 -3,-1.7 4,-2.5 -6,-0.3 5,-0.3 0.725 97.3 75.4-121.3 -29.1 21.5 6.5 6.0 85 85 A K H X S+ 0 0 81 -4,-2.9 4,-3.1 -7,-0.3 5,-0.3 0.933 96.4 51.8 -53.5 -47.0 20.7 3.4 7.8 86 86 A P H > S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.940 111.4 44.6 -59.9 -44.3 19.6 1.5 4.7 87 87 A V H > S+ 0 0 0 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.954 114.4 51.5 -65.8 -40.6 22.7 2.1 2.7 88 88 A Y H >< S+ 0 0 31 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.942 109.9 47.7 -57.6 -48.9 24.8 1.3 5.7 89 89 A D H 3< S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.885 108.2 56.2 -62.0 -36.3 23.0 -1.9 6.2 90 90 A S H 3< S+ 0 0 37 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.678 95.6 90.9 -69.7 -17.6 23.4 -2.8 2.6 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.9 31,-0.0 -0.494 75.3-121.5 -87.0 156.8 27.2 -2.4 2.7 92 92 A D > - 0 0 58 -2,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.264 46.1 -92.0 -77.4 168.7 30.0 -4.8 3.4 93 93 A A H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.843 121.9 50.1 -53.9 -45.8 32.4 -3.9 6.4 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.955 114.2 44.1 -62.2 -52.0 35.0 -1.9 4.5 95 95 A R H > S+ 0 0 24 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.871 107.1 59.3 -63.5 -34.2 32.5 0.2 2.7 96 96 A R H X S+ 0 0 81 -4,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.917 104.0 54.7 -57.4 -39.9 30.6 0.7 6.0 97 97 A A H X S+ 0 0 5 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.926 102.7 53.4 -60.6 -47.7 33.8 2.2 7.2 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.881 109.1 50.5 -58.4 -33.9 34.0 4.7 4.4 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.947 108.8 49.8 -69.1 -41.2 30.5 5.8 5.3 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.932 108.5 55.8 -58.7 -44.8 31.4 6.2 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.939 108.0 47.5 -49.9 -54.7 34.5 8.3 7.8 102 102 A M H X S+ 0 0 2 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.945 112.5 47.8 -56.2 -53.8 32.3 10.6 5.9 103 103 A V H X S+ 0 0 10 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.857 109.7 52.8 -60.5 -31.6 29.8 11.1 8.7 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.924 115.4 43.2 -67.3 -40.2 32.6 11.7 11.2 105 105 A Q H < S+ 0 0 49 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.946 132.6 14.6 -71.7 -50.1 34.0 14.4 8.9 106 106 A M H X S- 0 0 53 -4,-3.4 4,-0.6 -5,-0.2 -3,-0.2 0.368 104.6-107.4-114.5 9.2 30.9 16.2 7.9 107 107 A G H X - 0 0 34 -4,-1.8 4,-2.3 -5,-0.3 5,-0.2 0.293 37.0 -82.1 77.5 150.0 28.1 15.2 10.2 108 108 A E H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.879 126.5 54.4 -50.3 -46.8 25.1 12.9 9.5 109 109 A T H > S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.937 105.4 50.2 -59.6 -48.5 23.2 15.6 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.7 1,-0.2 -1,-0.2 0.950 112.8 48.5 -57.6 -43.8 25.7 16.5 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.906 102.8 60.1 -63.7 -40.1 26.1 12.9 4.5 112 112 A A H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.762 95.1 64.3 -58.6 -27.1 22.4 12.3 4.1 113 113 A G T << S+ 0 0 54 -4,-1.3 2,-1.1 -3,-0.7 3,-0.3 0.438 75.0 92.0 -75.0 -1.6 22.2 15.1 1.4 114 114 A F <> + 0 0 35 -3,-1.9 4,-3.1 1,-0.2 5,-0.2 -0.222 55.1 154.0 -87.6 48.0 24.4 12.9 -0.8 115 115 A T H > + 0 0 75 -2,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.817 63.4 43.1 -44.0 -51.0 21.2 11.6 -2.1 116 116 A N H > S+ 0 0 79 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.871 115.0 47.8 -70.6 -42.7 22.3 10.5 -5.5 117 117 A S H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.966 110.5 54.5 -63.4 -43.8 25.6 8.9 -4.3 118 118 A I H X S+ 0 0 20 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.917 108.2 48.6 -51.0 -48.5 23.6 7.2 -1.6 119 119 A R H X S+ 0 0 110 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.924 111.2 49.6 -60.7 -45.4 21.3 5.7 -4.2 120 120 A M H X>S+ 0 0 24 -4,-2.5 5,-2.7 1,-0.2 4,-0.6 0.908 110.5 51.1 -62.3 -39.8 24.2 4.5 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-3.2 3,-1.0 1,-0.2 -1,-0.2 0.921 107.5 51.7 -61.8 -44.6 25.8 2.9 -3.4 122 122 A Q H 3<5S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.2 49.4 -60.6 -33.4 22.7 1.1 -2.5 123 123 A Q H 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.513 112.3-122.6 -84.0 -7.2 22.5 -0.2 -6.1 124 124 A K T <<5 + 0 0 97 -3,-1.0 2,-1.2 -4,-0.6 -3,-0.2 0.855 60.3 149.8 66.1 38.5 26.1 -1.3 -5.8 125 125 A R >< + 0 0 116 -5,-2.7 4,-3.0 1,-0.2 5,-0.2 -0.685 19.8 176.8-101.9 75.9 27.1 0.8 -8.8 126 126 A W H > S+ 0 0 51 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.838 71.5 43.8 -49.6 -49.0 30.7 1.4 -7.5 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 115.7 48.3 -67.0 -43.1 32.2 3.3 -10.3 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.882 111.0 50.5 -63.0 -43.4 29.2 5.5 -10.7 129 129 A A H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.959 108.0 53.6 -60.4 -49.5 29.0 6.2 -7.1 130 130 A A H X S+ 0 0 8 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.868 109.1 47.8 -54.9 -41.0 32.6 7.2 -7.0 131 131 A V H X S+ 0 0 88 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.911 113.8 47.9 -68.9 -39.3 32.2 9.7 -9.8 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.884 105.8 57.9 -68.0 -35.8 29.2 11.2 -8.2 133 133 A L H 3< S+ 0 0 0 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.859 100.3 58.6 -62.2 -33.7 30.9 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.8 -5,-0.2 -1,-0.2 0.629 83.6 83.7 -72.1 -15.2 33.6 13.6 -6.4 135 135 A K S << S+ 0 0 159 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.513 79.7 97.0 -89.9 68.8 31.2 16.2 -7.5 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.993 84.5-117.6-154.9 159.9 31.1 17.9 -4.2 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-3.5 1,-0.2 5,-0.4 0.916 115.5 62.4 -61.4 -41.6 32.4 20.7 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.925 106.5 41.8 -46.4 -55.1 33.8 17.9 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.937 115.5 50.7 -61.2 -48.4 36.0 16.5 -2.6 140 140 A N H < S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.6 40.7 -59.7 -44.8 37.1 20.0 -3.7 141 141 A Q H < S+ 0 0 107 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 134.1 19.7 -75.9 -32.3 38.0 21.2 -0.2 142 142 A T S X S+ 0 0 19 -4,-2.5 4,-2.4 -5,-0.4 -1,-0.2 -0.499 73.1 158.8-137.8 70.7 39.7 18.0 0.9 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.816 70.1 52.0 -63.3 -39.3 40.5 16.1 -2.3 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.943 115.9 39.8 -67.1 -44.9 43.2 13.8 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 116.2 52.4 -65.1 -45.9 41.2 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.920 106.1 53.9 -55.6 -44.5 38.1 12.4 -0.3 147 147 A K H X S+ 0 0 104 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.860 107.8 52.1 -60.3 -33.6 40.0 10.3 -2.9 148 148 A R H X S+ 0 0 56 -4,-1.5 4,-2.1 2,-0.2 12,-0.2 0.947 112.6 42.7 -67.5 -45.9 40.9 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 114.1 51.7 -65.1 -43.8 37.3 7.5 0.9 150 150 A I H X S+ 0 0 15 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.876 108.2 51.6 -60.6 -40.8 36.0 7.3 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.4 4,-2.8 -5,-0.2 6,-0.4 0.918 106.8 54.6 -60.8 -42.2 38.5 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.906 111.3 44.4 -56.7 -45.3 37.4 2.7 -0.4 153 153 A F H < S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 112.7 50.8 -69.1 -40.6 33.8 2.8 -1.7 154 154 A R H < S+ 0 0 102 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.913 125.3 24.2 -63.3 -43.0 34.7 2.0 -5.2 155 155 A T H < S- 0 0 38 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.644 84.9-136.0 -98.0 -21.9 36.7 -1.1 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.744 74.0 107.8 68.3 20.9 35.6 -2.3 -1.0 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.3 -0.820 77.4-125.3-123.6 168.0 39.4 -2.7 -0.2 158 158 A W >> + 0 0 51 -2,-0.3 3,-2.1 1,-0.2 4,-0.6 0.132 69.0 124.0 -98.9 18.3 41.7 -0.7 2.1 159 159 A D G >4 + 0 0 101 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.873 65.8 58.0 -47.3 -43.4 44.1 -0.1 -0.7 160 160 A A G 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.681 112.8 40.6 -63.4 -18.1 44.0 3.7 -0.3 161 161 A Y G X4 S+ 0 0 3 -3,-2.1 3,-0.6 1,-0.1 -1,-0.3 0.364 85.6 112.4-110.2 3.3 45.2 3.4 3.3 162 162 A K T << S+ 0 0 131 -3,-1.6 -2,-0.1 -4,-0.6 -1,-0.1 0.695 89.4 15.4 -49.0 -36.7 47.6 0.7 2.5 163 163 A N T 3 0 0 146 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.367 360.0 360.0-128.5 13.6 50.8 2.6 3.2 164 164 A L < 0 0 132 -3,-0.6 -2,-0.1 -4,-0.1 -1,-0.1 0.346 360.0 360.0 -73.6 360.0 49.8 5.7 5.1