==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-03 1P37 . 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) . 8816.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.9 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 1 1 1 0 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 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 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.1 43.0 -1.5 8.8 2 2 A N > - 0 0 66 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.930 360.0 -81.5-159.6 173.7 39.7 -0.6 10.6 3 3 A I H > S+ 0 0 31 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.848 126.5 49.1 -53.5 -43.1 37.6 2.5 11.3 4 4 A F H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 114.5 43.5 -64.6 -49.9 39.8 3.7 14.2 5 5 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.922 115.2 51.2 -62.3 -37.4 43.1 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.953 113.2 42.1 -63.9 -50.5 41.5 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.4 0.862 109.6 59.8 -68.1 -30.3 40.2 7.9 10.9 8 8 A R H X S+ 0 0 105 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.916 109.3 44.5 -62.3 -38.8 43.5 8.2 12.9 9 9 A I H < S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.944 116.8 44.9 -68.1 -45.3 45.2 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.809 124.7 30.8 -68.0 -35.2 42.7 11.0 8.2 11 11 A E H < S- 0 0 37 -4,-3.0 19,-0.4 1,-0.2 -1,-0.2 0.615 91.9-151.0-100.9 -19.5 42.4 13.2 11.3 12 12 A G < - 0 0 24 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.2 -0.179 25.0 -88.8 74.5-172.9 45.9 13.0 12.8 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.960 45.2 168.3-141.9 120.1 46.4 13.4 16.6 14 14 A R E -A 28 0A 141 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -0.999 21.4-160.1-136.3 133.8 47.0 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 0.423 73.8 61.5 -94.6 -1.5 46.9 17.3 22.0 16 16 A K E S-C 57 0B 84 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.911 100.3 -86.3-121.1 150.2 46.4 21.1 22.0 17 17 A I E + 0 0 14 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.285 58.3 161.9 -56.4 134.4 43.5 22.9 20.6 18 18 A Y E -A 26 0A 28 8,-2.5 8,-2.9 6,-0.1 2,-0.5 -0.873 39.3 -97.1-142.9 175.9 44.0 23.7 16.9 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.864 33.9-138.4-106.4 137.8 41.8 24.6 13.9 20 20 A D > - 0 0 45 4,-2.9 3,-1.9 -2,-0.5 -1,-0.1 0.046 42.3 -77.4 -76.7-170.5 40.5 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 0.700 134.0 50.6 -65.0 -19.2 40.3 22.3 7.7 22 22 A E T 3 S- 0 0 69 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.314 123.6-103.0 -96.4 2.2 37.2 24.5 8.1 23 23 A G S < S+ 0 0 39 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.547 76.3 140.4 88.2 13.0 38.9 26.8 10.6 24 24 A Y - 0 0 73 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.734 60.5-102.6-100.9 143.1 37.1 25.3 13.6 25 25 A Y E +A 19 0A 36 11,-0.4 8,-2.9 9,-0.4 9,-1.2 -0.269 54.9 157.2 -59.3 127.1 38.5 24.6 17.0 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-2.5 6,-0.3 2,-0.3 -0.903 19.5-168.1-143.7 167.4 39.3 20.9 17.4 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.3 -2,-0.3 2,-0.3 -0.983 50.1 4.1-156.4 164.9 41.5 18.7 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.8 -0.402 122.6 -5.8 66.3-124.3 42.8 15.1 19.7 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.1 -0.681 128.2 -50.7-108.3 76.7 41.7 12.9 16.9 30 30 A G T 4 S+ 0 0 11 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.790 83.5 161.0 68.8 24.6 39.4 15.1 14.9 31 31 A H E < -B 27 0A 29 -4,-2.3 -4,-1.7 -20,-0.1 2,-0.2 -0.679 30.8-147.5 -85.6 103.7 37.3 16.0 17.9 32 32 A L E -B 26 0A 76 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.443 16.3-175.6 -67.8 128.7 35.4 19.2 16.9 33 33 A L - 0 0 11 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.885 57.5 -35.3 -94.4 -43.9 34.9 21.4 19.8 34 34 A T - 0 0 30 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.971 35.0-129.2-170.8 161.8 32.8 24.2 18.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.515 75.3 115.0 -97.2 -5.7 32.2 26.2 15.3 36 36 A S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.332 68.7-137.9 -63.3 142.7 32.4 29.4 17.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.518 76.5 105.3 -79.1 -3.2 35.4 31.7 16.6 38 38 A S > - 0 0 49 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.717 56.7-162.5 -82.7 115.4 35.8 32.1 20.4 39 39 A L H > S+ 0 0 58 -2,-0.6 4,-3.2 1,-0.2 5,-0.3 0.892 93.1 54.5 -64.6 -38.7 38.7 30.2 21.8 40 40 A N H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 106.3 52.0 -61.8 -38.0 37.4 30.5 25.3 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 110.4 49.2 -61.5 -38.9 34.2 29.0 24.1 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.906 108.9 51.4 -64.8 -42.1 36.2 26.2 22.6 43 43 A K H X S+ 0 0 40 -4,-3.2 4,-2.7 1,-0.2 11,-0.3 0.889 107.8 53.2 -64.0 -35.8 38.1 25.7 25.8 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.928 107.5 50.8 -64.7 -41.4 34.9 25.5 27.7 45 45 A E H X S+ 0 0 66 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.920 110.1 51.3 -61.8 -39.6 33.6 22.8 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.953 109.3 48.4 -62.5 -48.9 36.9 20.9 26.0 47 47 A D H X>S+ 0 0 36 -4,-2.7 4,-2.7 1,-0.2 5,-1.1 0.930 113.0 48.7 -57.4 -43.1 36.6 21.1 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.917 112.9 49.3 -61.9 -41.8 33.0 19.9 29.5 49 49 A A H <5S+ 0 0 39 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.881 119.2 35.3 -65.5 -40.1 34.1 17.1 27.2 50 50 A I H <5S- 0 0 35 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.700 103.6-124.6 -87.7 -24.7 36.9 15.9 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.7 2,-0.3 -5,-0.4 -3,-0.2 0.747 77.5 74.6 87.0 23.2 35.3 16.6 32.7 52 52 A R S - 0 0 12 -2,-1.1 3,-1.1 -11,-0.3 -1,-0.2 0.586 36.8-139.6 -95.4 -19.8 42.1 21.7 31.2 55 55 A N T 3 S- 0 0 117 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.923 73.2 -60.5 60.5 29.9 43.5 25.0 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.497 112.0 96.2 73.9 8.3 43.4 23.6 26.3 57 57 A V B < -C 16 0B 77 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.989 45.9-178.9-130.3 141.6 45.7 20.6 26.4 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.829 27.1-103.8-131.7 170.3 44.8 16.9 27.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.409 32.3-111.5 -88.6 168.0 46.6 13.6 27.3 60 60 A K H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.935 120.4 52.3 -62.8 -43.5 46.8 10.9 24.6 61 61 A D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 109.4 48.9 -57.7 -44.9 44.6 8.7 26.6 62 62 A E H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 110.5 52.0 -61.2 -41.0 42.0 11.5 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.932 109.8 48.1 -61.7 -44.8 42.2 12.0 23.2 64 64 A E H X S+ 0 0 81 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.860 107.8 57.1 -64.1 -35.9 41.6 8.4 22.6 65 65 A K H X S+ 0 0 138 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.954 108.6 44.0 -61.2 -50.2 38.7 8.5 24.9 66 66 A L H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.895 112.5 55.5 -62.2 -34.6 36.9 11.2 23.0 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.945 105.9 48.8 -63.5 -45.9 37.8 9.4 19.8 68 68 A N H X S+ 0 0 91 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.927 113.5 47.9 -58.5 -43.1 36.2 6.2 20.8 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.908 111.5 51.6 -63.0 -41.3 33.1 8.1 21.9 70 70 A D H X S+ 0 0 34 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.909 110.0 46.6 -63.8 -43.1 33.1 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.951 113.9 49.1 -63.0 -48.3 33.3 6.9 16.5 72 72 A D H X S+ 0 0 85 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.953 111.2 48.9 -56.3 -51.6 30.5 5.2 18.5 73 73 A A H X S+ 0 0 60 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.842 107.9 55.4 -59.2 -33.5 28.3 8.2 18.3 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.952 111.7 42.7 -64.6 -47.8 28.9 8.4 14.5 75 75 A V H X S+ 0 0 32 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.953 113.6 52.9 -60.0 -49.9 27.7 4.8 14.0 76 76 A R H X S+ 0 0 131 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.919 108.7 49.0 -54.9 -44.5 24.9 5.3 16.4 77 77 A G H X S+ 0 0 5 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.900 108.3 52.7 -65.7 -36.9 23.6 8.3 14.6 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 7,-0.4 0.933 108.4 52.8 -60.8 -43.7 23.8 6.6 11.2 79 79 A L H 3< S+ 0 0 67 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.743 111.4 46.1 -62.0 -27.6 21.7 3.8 12.7 80 80 A R H 3< S+ 0 0 174 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.474 93.9 91.0 -92.4 -8.2 19.1 6.3 13.9 81 81 A N XX - 0 0 30 -3,-1.1 4,-2.8 -4,-0.8 3,-1.3 -0.828 62.8-155.8 -94.9 115.2 19.0 8.2 10.6 82 82 A A T 34 S+ 0 0 88 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.1 0.720 94.2 53.4 -64.6 -18.1 16.3 7.0 8.3 83 83 A K T 34 S+ 0 0 154 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.683 120.3 29.4 -87.0 -16.7 18.1 8.3 5.4 84 84 A L T <> S+ 0 0 4 -3,-1.3 4,-2.8 -6,-0.3 3,-0.4 0.727 100.0 75.5-110.7 -32.9 21.4 6.7 6.2 85 85 A K H X S+ 0 0 86 -4,-2.8 4,-3.4 -7,-0.4 5,-0.3 0.928 96.1 51.8 -48.9 -48.7 20.6 3.5 8.0 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.887 110.9 47.2 -58.8 -37.8 19.5 1.7 4.9 87 87 A I H > S+ 0 0 4 -3,-0.4 4,-0.8 2,-0.2 3,-0.4 0.972 113.0 49.3 -66.6 -51.2 22.7 2.6 3.0 88 88 A Y H >< S+ 0 0 39 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.934 111.2 49.5 -52.7 -51.2 24.8 1.5 5.9 89 89 A D H 3< S+ 0 0 66 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.8 56.9 -60.9 -31.7 23.0 -1.8 6.2 90 90 A S H 3< S+ 0 0 31 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.652 96.2 89.4 -74.6 -12.8 23.3 -2.6 2.5 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.505 76.4-117.6 -93.2 161.7 27.1 -2.3 2.6 92 92 A D > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.327 45.3 -96.6 -78.9 165.2 30.0 -4.6 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.801 120.9 52.6 -58.7 -34.6 32.2 -3.8 6.4 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.956 113.3 42.7 -68.2 -50.4 34.9 -1.9 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.853 109.2 59.0 -64.5 -33.1 32.5 0.4 2.7 96 96 A R H X S+ 0 0 79 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.944 103.8 52.5 -60.5 -42.7 30.6 0.8 6.0 97 97 A A H X S+ 0 0 9 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.907 107.2 51.9 -59.2 -42.9 33.8 2.1 7.5 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.901 109.7 49.5 -60.3 -39.5 34.1 4.7 4.7 99 99 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.929 110.7 49.2 -66.0 -42.0 30.6 5.9 5.3 100 100 A V H X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.934 109.3 53.9 -61.0 -42.6 31.2 6.3 9.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.952 108.9 48.2 -56.9 -48.8 34.4 8.2 8.2 102 102 A M H X S+ 0 0 2 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.945 112.5 47.4 -58.0 -48.4 32.4 10.6 6.0 103 103 A I H X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.903 108.9 55.2 -61.3 -39.1 29.8 11.2 8.7 104 104 A F H < S+ 0 0 32 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.918 115.5 40.2 -60.4 -38.7 32.4 11.7 11.3 105 105 A Q H < S+ 0 0 49 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.944 132.2 17.9 -77.0 -48.1 33.9 14.4 9.1 106 106 A I H X S- 0 0 45 -4,-3.2 4,-0.9 -5,-0.2 -3,-0.2 0.539 98.1-130.1-105.8 -6.4 30.8 16.2 7.8 107 107 A G H X - 0 0 28 -4,-2.5 4,-2.5 -5,-0.4 -1,-0.1 0.114 34.4 -74.6 79.0 166.8 28.0 15.2 10.0 108 108 A E H > S+ 0 0 74 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.859 134.7 56.0 -66.5 -33.1 24.6 13.9 9.3 109 109 A T H >> S+ 0 0 130 2,-0.2 3,-0.6 1,-0.2 4,-0.5 0.922 107.9 46.7 -64.9 -43.4 23.7 17.3 8.2 110 110 A G H >< S+ 0 0 27 -4,-0.9 3,-1.1 1,-0.2 -2,-0.2 0.914 108.8 57.0 -65.7 -38.3 26.5 17.4 5.7 111 111 A A H >< S+ 0 0 4 -4,-2.5 3,-2.5 1,-0.2 -1,-0.2 0.774 85.7 81.7 -66.7 -19.2 25.5 13.9 4.6 112 112 A A H X< S+ 0 0 55 -4,-1.1 3,-0.9 -3,-0.6 -1,-0.2 0.865 86.7 56.5 -54.9 -34.1 22.0 15.2 3.7 113 113 A G T << S+ 0 0 71 -3,-1.1 3,-0.4 -4,-0.5 -1,-0.3 0.566 92.3 72.8 -76.6 -1.2 23.2 16.5 0.4 114 114 A F T <> + 0 0 19 -3,-2.5 4,-3.0 1,-0.2 5,-0.3 0.149 53.9 123.1 -97.9 20.0 24.5 13.1 -0.7 115 115 A T H <> S+ 0 0 85 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.837 76.3 46.4 -45.7 -44.9 21.2 11.5 -1.3 116 116 A N H > S+ 0 0 110 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.896 113.5 47.4 -69.4 -40.5 22.1 10.7 -4.9 117 117 A S H > S+ 0 0 2 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.934 111.6 51.3 -63.9 -45.0 25.5 9.3 -4.2 118 118 A L H X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.863 106.9 54.6 -59.9 -37.7 24.2 7.2 -1.4 119 119 A R H X S+ 0 0 119 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.930 105.7 51.0 -63.6 -42.9 21.5 5.8 -3.7 120 120 A Y H <>S+ 0 0 68 -4,-2.1 5,-2.8 1,-0.2 4,-0.3 0.894 110.0 51.3 -60.7 -37.5 24.2 4.7 -6.2 121 121 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.932 108.2 51.8 -62.7 -44.8 26.0 3.0 -3.3 122 122 A Q H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.850 109.6 49.2 -60.3 -33.0 22.8 1.3 -2.3 123 123 A Q T 3<5S- 0 0 97 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.483 112.7-122.6 -83.0 -5.0 22.4 0.1 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.5 2,-1.2 -4,-0.3 -3,-0.2 0.802 62.9 146.8 65.3 31.5 26.0 -1.1 -5.8 125 125 A R >< + 0 0 95 -5,-2.8 4,-3.2 1,-0.2 5,-0.2 -0.651 21.8 175.2 -96.9 72.0 26.8 1.1 -8.8 126 126 A W H > S+ 0 0 53 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.823 70.3 40.1 -51.0 -50.4 30.4 1.7 -7.5 127 127 A D H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.903 116.5 51.2 -72.7 -38.7 31.9 3.7 -10.3 128 128 A E H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.960 111.8 47.5 -62.0 -44.1 28.8 5.7 -10.8 129 129 A A H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.932 109.4 54.5 -59.6 -44.4 28.7 6.5 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.922 109.2 46.3 -56.3 -48.0 32.4 7.4 -7.2 131 131 A V H X S+ 0 0 85 -4,-2.3 4,-0.5 1,-0.2 3,-0.5 0.929 114.0 49.6 -59.8 -45.0 31.9 9.9 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.907 104.6 56.3 -62.5 -42.5 28.9 11.4 -8.2 133 133 A F H 3< S+ 0 0 0 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.813 100.3 60.6 -58.3 -33.4 30.6 11.7 -4.8 134 134 A A H 3< S+ 0 0 29 -4,-1.2 2,-1.6 -3,-0.5 -1,-0.3 0.660 84.1 80.7 -71.6 -17.2 33.3 13.9 -6.4 135 135 A K S << S+ 0 0 156 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 -0.551 80.8 95.3 -89.5 71.1 30.7 16.5 -7.5 136 136 A S S > S- 0 0 17 -2,-1.6 4,-2.4 1,-0.1 5,-0.2 -0.996 84.4-116.7-158.8 154.6 30.6 18.1 -4.1 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.925 116.2 61.3 -58.2 -41.2 31.9 20.9 -2.0 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 106.7 42.7 -49.6 -50.8 33.2 18.1 0.2 139 139 A Y H 4 S+ 0 0 54 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.953 114.9 50.0 -63.8 -48.7 35.4 16.7 -2.5 140 140 A N H < S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.895 114.3 43.7 -58.0 -44.5 36.6 20.1 -3.7 141 141 A Q H < S+ 0 0 110 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.852 131.3 21.0 -73.4 -36.1 37.5 21.3 -0.2 142 142 A T S X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.3 -0.584 74.9 159.8-129.4 70.9 39.3 18.1 1.0 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 70.5 51.3 -64.4 -38.9 40.2 16.4 -2.3 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.952 116.1 40.2 -65.6 -44.9 42.9 14.1 -1.0 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 116.0 50.8 -67.1 -46.0 40.9 12.7 1.8 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.913 106.4 55.1 -59.2 -40.9 37.7 12.5 -0.3 147 147 A K H X S+ 0 0 98 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.913 108.4 49.6 -58.7 -39.0 39.6 10.6 -3.0 148 148 A R H X S+ 0 0 58 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.952 112.7 45.7 -64.4 -46.5 40.7 8.1 -0.4 149 149 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.939 112.4 51.7 -61.5 -47.2 37.1 7.6 0.8 150 150 A I H X S+ 0 0 15 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.886 105.8 54.3 -60.6 -38.4 35.8 7.4 -2.7 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.7 -5,-0.2 6,-0.4 0.879 108.1 50.7 -64.8 -32.9 38.4 4.7 -3.6 152 152 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.925 111.5 46.6 -68.0 -44.5 37.1 2.6 -0.7 153 153 A F H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 116.2 47.2 -63.2 -36.7 33.5 3.1 -1.8 154 154 A R H < S+ 0 0 101 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.899 127.9 20.9 -69.7 -41.3 34.6 2.2 -5.4 155 155 A T H < S- 0 0 47 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.644 83.8-133.2-104.7 -23.7 36.7 -0.9 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.8 2,-0.3 -5,-0.3 -62,-0.2 0.661 73.8 110.1 74.5 14.9 35.6 -2.2 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.820 73.6-131.5-121.3 163.8 39.4 -2.4 -0.4 158 158 A W >> + 0 0 37 -2,-0.3 3,-2.3 1,-0.2 4,-2.1 0.232 68.4 120.5 -96.6 12.4 41.8 -0.6 1.9 159 159 A D H 3> + 0 0 102 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.796 67.1 60.2 -47.3 -38.7 44.3 -0.0 -0.8 160 160 A A H 34 S+ 0 0 28 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.698 117.7 30.5 -65.9 -20.2 44.1 3.8 -0.4 161 161 A Y H X4 S+ 0 0 2 -3,-2.3 3,-2.6 -13,-0.1 -1,-0.2 0.586 95.1 95.4-109.9 -18.6 45.2 3.6 3.2 162 162 A K H 3< S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.807 90.5 39.6 -46.8 -39.0 47.3 0.5 2.9 163 163 A N T 3< 0 0 156 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.243 360.0 360.0-102.0 22.5 50.5 2.4 2.4 164 164 A L < 0 0 118 -3,-2.6 -1,-0.2 0, 0.0 -2,-0.1 0.275 360.0 360.0-107.1 360.0 49.9 5.2 4.9