==== 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 17-APR-03 1P3N . 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) . 8684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 . 12 7.3 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 64 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.1 43.2 -1.6 8.8 2 2 A N > - 0 0 67 156,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.939 360.0 -82.3-159.2 172.7 40.0 -0.6 10.6 3 3 A I H > S+ 0 0 31 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.843 125.9 49.3 -53.7 -40.9 37.8 2.5 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.962 114.8 42.1 -65.4 -51.5 40.0 3.7 14.1 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.887 115.3 53.0 -60.9 -37.9 43.3 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.946 113.2 40.6 -64.3 -50.3 41.7 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.4 0.876 110.7 58.9 -69.2 -31.0 40.4 7.9 10.9 8 8 A R H X S+ 0 0 99 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.898 108.4 46.9 -63.8 -34.5 43.6 8.2 12.9 9 9 A I H < S+ 0 0 48 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.950 116.6 43.1 -68.2 -47.8 45.4 8.4 9.5 10 10 A D H < S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.798 124.0 32.6 -69.5 -32.2 42.9 11.0 8.2 11 11 A E H < S- 0 0 41 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.689 90.9-153.6-100.4 -21.0 42.7 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.211 25.4 -86.7 74.6-169.2 46.1 12.9 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.932 44.9 167.3-144.4 119.7 46.7 13.4 16.5 14 14 A R E -A 28 0A 148 14,-1.9 14,-2.5 -2,-0.4 4,-0.1 -1.000 20.0-162.3-134.8 129.6 47.3 16.8 18.2 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.445 73.6 65.9 -92.9 -1.0 47.1 17.3 22.0 16 16 A K E S-C 57 0B 104 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.913 101.0 -87.9-119.5 148.4 46.8 21.0 21.9 17 17 A I E + 0 0 2 39,-1.8 2,-0.2 -2,-0.4 10,-0.2 -0.265 59.2 162.5 -52.5 131.5 43.8 23.0 20.6 18 18 A Y E -A 26 0A 27 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.832 39.0 -96.6-140.7 179.8 44.3 23.6 16.8 19 19 A K E -A 25 0A 124 -2,-0.2 6,-0.2 6,-0.2 13,-0.0 -0.892 33.1-137.4-109.0 138.3 42.1 24.6 13.9 20 20 A D > - 0 0 45 4,-2.8 3,-2.2 -2,-0.5 -1,-0.1 0.010 42.5 -78.8 -77.5-173.5 40.7 22.1 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.746 133.5 49.2 -62.5 -20.0 40.5 22.3 7.7 22 22 A E T 3 S- 0 0 83 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.370 124.0-102.1 -95.9 -2.8 37.5 24.6 8.0 23 23 A G S < S+ 0 0 39 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.560 75.4 138.2 94.5 12.5 39.1 26.8 10.6 24 24 A Y - 0 0 65 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.728 61.2 -99.3-103.2 146.9 37.3 25.5 13.6 25 25 A Y E +A 19 0A 35 11,-0.5 8,-2.8 9,-0.4 9,-1.2 -0.301 55.6 156.0 -58.4 128.8 38.8 24.7 17.0 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.914 19.3-171.9-147.3 165.6 39.5 21.0 17.4 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 2,-0.2 -0.970 51.3 12.9-153.0 169.2 41.8 18.8 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.9 -2,-0.3 2,-0.9 -0.450 123.0 -11.3 68.9-136.0 42.8 15.1 19.7 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.703 128.1 -49.6-103.4 74.2 41.9 13.0 16.8 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.785 83.0 162.3 70.9 26.7 39.6 15.3 14.9 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.7 -20,-0.1 -1,-0.2 -0.674 31.1-145.1 -85.9 105.1 37.5 16.1 17.9 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.490 17.5-175.3 -68.2 129.5 35.6 19.3 16.9 33 33 A L - 0 0 12 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.851 57.7 -35.2 -94.1 -45.1 35.1 21.6 19.8 34 34 A T - 0 0 30 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.968 35.7-126.5-171.8 160.4 33.0 24.3 18.4 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.567 76.0 116.0 -92.1 -8.7 32.3 26.4 15.3 36 36 A S - 0 0 39 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.237 67.4-140.2 -59.9 142.2 32.8 29.5 17.4 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.556 76.1 105.4 -80.2 -4.4 35.7 31.9 16.5 38 38 A S > - 0 0 47 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.669 57.7-161.7 -80.5 118.5 36.1 32.3 20.3 39 39 A L H > S+ 0 0 61 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.840 94.1 53.7 -65.5 -31.1 39.1 30.4 21.8 40 40 A N H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 105.0 52.7 -69.1 -40.7 37.6 30.7 25.2 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 110.5 48.4 -59.6 -41.1 34.4 29.1 24.0 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.891 110.2 51.7 -65.9 -37.2 36.5 26.2 22.6 43 43 A K H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 11,-0.2 0.877 107.9 52.0 -66.8 -36.4 38.4 25.9 25.8 44 44 A S H X S+ 0 0 71 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.922 109.5 49.2 -66.0 -40.6 35.2 25.7 27.8 45 45 A E H X S+ 0 0 68 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.939 110.1 52.6 -62.2 -42.6 33.8 22.9 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.941 108.0 48.8 -59.6 -46.0 37.1 21.0 25.9 47 47 A D H X>S+ 0 0 38 -4,-2.4 4,-2.8 1,-0.2 5,-1.3 0.917 112.9 48.6 -59.9 -40.6 36.9 21.2 29.7 48 48 A K H <5S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.2 49.7 -64.3 -39.9 33.3 20.0 29.6 49 49 A A H <5S+ 0 0 40 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.911 120.0 34.2 -67.0 -40.9 34.3 17.2 27.3 50 50 A I H <5S- 0 0 38 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.718 103.6-126.5 -84.9 -32.2 37.2 16.0 29.4 51 51 A G T <5S+ 0 0 65 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.2 0.770 75.6 78.4 89.1 26.3 35.6 16.7 32.7 52 52 A R S - 0 0 12 -2,-1.3 3,-1.2 -11,-0.2 -1,-0.2 0.525 36.0-139.2 -88.0 -20.9 42.5 21.8 31.1 55 55 A N T 3 S- 0 0 127 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.876 73.8 -66.7 65.9 16.7 44.2 24.9 29.9 56 56 A G T 3 S+ 0 0 2 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.533 112.1 99.3 76.3 9.5 43.8 23.6 26.2 57 57 A V B < +C 16 0B 78 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.993 45.7 179.9-130.9 134.9 46.1 20.6 26.4 58 58 A I - 0 0 4 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.827 27.6-104.8-129.1 167.2 45.1 17.0 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.367 31.8-111.4 -84.8 167.4 46.9 13.6 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.929 120.2 55.0 -62.9 -42.1 47.0 11.0 24.5 61 61 A D H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 109.1 46.9 -58.3 -45.4 44.8 8.8 26.6 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 110.0 53.6 -62.1 -41.4 42.2 11.6 26.8 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -34,-0.4 0.932 109.8 47.6 -61.4 -41.9 42.4 12.2 23.1 64 64 A E H X S+ 0 0 75 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.854 107.3 57.3 -69.1 -29.8 41.7 8.5 22.5 65 65 A K H X S+ 0 0 133 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.965 109.5 44.3 -66.1 -43.7 38.9 8.5 24.9 66 66 A L H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.918 111.1 54.7 -63.0 -39.0 37.2 11.3 23.0 67 67 A F H X S+ 0 0 11 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.922 106.0 50.5 -63.0 -41.3 37.9 9.6 19.7 68 68 A N H X S+ 0 0 81 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.941 112.1 48.9 -60.6 -41.7 36.3 6.3 20.7 69 69 A Q H X S+ 0 0 96 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.906 111.6 50.7 -60.9 -43.3 33.2 8.3 21.8 70 70 A D H X S+ 0 0 35 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.916 111.5 45.0 -64.8 -43.6 33.3 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.965 114.3 49.4 -64.1 -48.2 33.5 7.0 16.4 72 72 A D H X S+ 0 0 89 -4,-2.8 4,-3.5 -5,-0.3 5,-0.3 0.965 111.2 49.8 -56.7 -47.1 30.8 5.3 18.4 73 73 A A H X S+ 0 0 45 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.3 0.893 107.8 54.7 -58.9 -39.2 28.6 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.920 112.0 43.3 -61.6 -44.4 29.1 8.5 14.4 75 75 A V H X S+ 0 0 31 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.949 112.4 53.2 -66.2 -43.6 28.0 4.9 14.0 76 76 A R H X S+ 0 0 103 -4,-3.5 4,-0.8 -5,-0.3 -2,-0.2 0.915 109.2 48.9 -57.7 -41.8 25.1 5.4 16.4 77 77 A G H >X S+ 0 0 11 -4,-2.5 3,-0.7 -5,-0.3 4,-0.6 0.887 106.5 54.9 -64.6 -42.3 23.8 8.4 14.5 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 7,-0.4 0.937 108.3 51.5 -55.3 -46.6 24.0 6.6 11.1 79 79 A L H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.677 111.4 46.9 -65.1 -21.3 21.8 3.9 12.6 80 80 A R H << S+ 0 0 185 -4,-0.8 2,-0.6 -3,-0.7 -1,-0.3 0.365 94.9 89.0-100.9 1.5 19.3 6.5 13.8 81 81 A N XX - 0 0 19 -3,-1.2 4,-3.3 -4,-0.6 3,-1.0 -0.869 62.8-156.8-106.7 120.0 19.2 8.3 10.5 82 82 A A T 34 S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.1 0.676 93.3 55.2 -67.8 -16.4 16.6 7.0 8.1 83 83 A K T 34 S+ 0 0 136 2,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.685 120.6 28.0 -86.0 -22.1 18.5 8.4 5.2 84 84 A L T <> S+ 0 0 0 -3,-1.0 4,-2.6 -6,-0.3 3,-0.3 0.744 100.8 75.6-110.2 -33.3 21.7 6.6 6.0 85 85 A K H X S+ 0 0 84 -4,-3.3 4,-3.1 -7,-0.4 5,-0.3 0.923 97.1 49.4 -49.8 -49.5 20.8 3.5 7.9 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.907 111.0 50.5 -60.9 -35.0 19.7 1.6 4.8 87 87 A I H > S+ 0 0 5 -3,-0.3 4,-0.9 2,-0.2 3,-0.4 0.979 112.0 47.3 -63.0 -52.5 22.8 2.5 3.0 88 88 A Y H >< S+ 0 0 37 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.925 110.8 50.9 -54.5 -49.2 25.0 1.3 5.8 89 89 A D H 3< S+ 0 0 72 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.829 106.3 56.8 -60.9 -30.8 23.1 -1.9 6.2 90 90 A S H 3< S+ 0 0 36 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.680 97.0 83.3 -75.1 -14.5 23.5 -2.6 2.5 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.514 78.6-114.6 -93.7 162.6 27.3 -2.4 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.301 46.5 -94.7 -78.0 165.3 30.1 -4.7 3.4 93 93 A A H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.824 121.4 51.6 -55.9 -36.9 32.3 -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 0.965 113.0 44.3 -69.0 -48.8 35.0 -2.0 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.897 109.1 57.8 -64.3 -35.2 32.6 0.3 2.7 96 96 A R H X S+ 0 0 79 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.936 103.1 54.9 -59.3 -38.5 30.7 0.8 6.0 97 97 A A H X S+ 0 0 8 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.930 104.4 52.8 -60.3 -44.0 33.9 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.920 108.9 50.2 -56.4 -41.6 34.2 4.7 4.6 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.901 109.8 50.2 -64.5 -37.8 30.7 5.9 5.4 100 100 A V H X S+ 0 0 4 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.946 110.0 51.3 -64.0 -42.7 31.5 6.2 9.1 101 101 A N H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.953 109.0 49.6 -56.8 -51.5 34.6 8.2 8.2 102 102 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.943 112.7 46.9 -56.4 -47.5 32.6 10.5 6.0 103 103 A V H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.899 109.3 53.9 -63.3 -39.9 30.0 11.1 8.7 104 104 A F H < S+ 0 0 34 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.937 115.7 41.3 -59.6 -41.2 32.7 11.7 11.3 105 105 A Q H < S+ 0 0 46 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.921 132.7 17.1 -73.3 -45.7 34.2 14.3 9.0 106 106 A I H X S- 0 0 53 -4,-3.2 4,-0.6 -5,-0.2 -3,-0.2 0.522 105.4-116.3-112.5 -2.9 31.1 16.1 7.7 107 107 A G H X - 0 0 29 -4,-2.4 4,-2.7 -5,-0.4 5,-0.2 0.213 32.7 -76.3 86.2 160.5 28.4 15.2 10.1 108 108 A E H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.855 127.8 50.4 -59.6 -40.6 25.3 13.2 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.959 111.2 47.6 -62.9 -53.2 23.4 16.0 8.0 110 110 A G H < S+ 0 0 30 -4,-0.6 3,-0.3 1,-0.2 -2,-0.2 0.899 115.5 46.9 -53.7 -46.5 26.1 16.7 5.5 111 111 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.888 106.1 54.1 -66.1 -45.1 26.4 13.0 4.7 112 112 A A H 3< S+ 0 0 2 -4,-2.9 3,-0.3 1,-0.3 -1,-0.3 0.766 97.0 72.8 -62.9 -19.0 22.8 12.3 4.3 113 113 A G T 3< S+ 0 0 56 -4,-1.2 2,-0.4 -3,-0.3 3,-0.3 0.586 75.4 79.2 -70.2 -10.3 22.9 15.2 1.8 114 114 A F <> + 0 0 26 -3,-1.9 4,-3.0 1,-0.2 5,-0.3 -0.134 58.9 150.7 -88.4 42.3 24.8 12.9 -0.7 115 115 A T H > + 0 0 63 -2,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.845 67.5 43.8 -42.1 -52.3 21.5 11.4 -1.6 116 116 A N H > S+ 0 0 105 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.898 115.0 47.3 -67.4 -42.9 22.4 10.5 -5.1 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.941 112.7 50.6 -62.1 -44.1 25.8 9.1 -4.3 118 118 A L H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.883 107.6 54.1 -58.4 -42.4 24.4 7.1 -1.5 119 119 A R H X S+ 0 0 126 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.933 107.0 50.2 -61.8 -43.5 21.7 5.7 -3.8 120 120 A Y H <>S+ 0 0 68 -4,-2.2 5,-2.8 1,-0.2 4,-0.3 0.908 109.6 51.8 -62.2 -36.4 24.3 4.6 -6.2 121 121 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.916 107.5 52.8 -61.6 -42.4 26.1 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 110.3 47.5 -62.6 -28.6 22.9 1.2 -2.4 123 123 A Q T 3<5S- 0 0 97 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.416 112.3-122.6 -90.0 -2.7 22.6 -0.1 -6.0 124 124 A K T < 5 + 0 0 96 -3,-1.3 2,-1.4 -4,-0.3 -3,-0.2 0.832 61.4 148.7 62.6 33.3 26.1 -1.2 -5.8 125 125 A R >< + 0 0 95 -5,-2.8 4,-2.5 1,-0.2 -1,-0.2 -0.672 22.5 177.4 -97.6 73.7 27.0 1.0 -8.9 126 126 A W H > + 0 0 53 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.841 68.8 41.8 -50.3 -53.9 30.5 1.5 -7.6 127 127 A D H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 115.4 50.5 -67.7 -37.9 32.1 3.6 -10.3 128 128 A E H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 110.4 49.9 -66.4 -38.0 29.1 5.7 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.954 109.3 53.4 -61.6 -46.2 28.9 6.4 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.900 109.7 46.4 -56.0 -44.7 32.6 7.3 -7.1 131 131 A V H < S+ 0 0 84 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.925 114.0 49.8 -63.9 -42.6 32.1 9.9 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.901 103.3 57.1 -65.8 -41.5 29.1 11.3 -8.2 133 133 A F H 3< S+ 0 0 0 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.824 99.8 61.3 -57.2 -32.8 30.8 11.7 -4.8 134 134 A A T 3< S+ 0 0 27 -4,-1.1 2,-1.9 -3,-0.4 -1,-0.3 0.666 83.2 81.5 -70.7 -18.4 33.5 13.9 -6.4 135 135 A K S < S+ 0 0 158 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.470 80.5 92.8 -86.0 67.9 31.0 16.5 -7.5 136 136 A S S > S- 0 0 19 -2,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.997 85.6-113.8-155.1 160.4 30.8 18.2 -4.1 137 137 A R H > S+ 0 0 168 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.932 116.1 62.2 -58.9 -40.6 32.2 20.9 -1.9 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.936 106.3 42.5 -50.6 -52.5 33.5 18.1 0.2 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.941 115.1 49.8 -63.3 -46.7 35.7 16.7 -2.5 140 140 A N H < S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.908 114.3 43.6 -60.8 -42.4 36.9 20.2 -3.6 141 141 A Q H < S+ 0 0 99 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 131.7 21.0 -76.2 -33.5 37.8 21.4 -0.1 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.554 74.0 159.3-131.1 70.3 39.6 18.1 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.847 69.6 52.1 -64.8 -37.4 40.5 16.4 -2.3 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.965 116.3 39.9 -64.7 -47.9 43.3 14.1 -1.0 145 145 A R H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 114.6 52.7 -63.1 -47.7 41.2 12.7 1.8 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.895 106.0 55.9 -57.2 -39.2 38.0 12.5 -0.4 147 147 A K H X S+ 0 0 104 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.931 107.4 49.0 -60.0 -42.0 40.0 10.6 -3.0 148 148 A R H X S+ 0 0 57 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.964 112.7 45.6 -61.9 -49.2 40.9 8.0 -0.4 149 149 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.929 112.2 52.5 -58.6 -46.6 37.4 7.6 0.8 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.902 106.3 52.9 -58.0 -43.4 36.1 7.4 -2.7 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.5 -5,-0.2 6,-0.4 0.862 108.9 50.5 -63.9 -32.2 38.5 4.7 -3.6 152 152 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.911 111.2 47.9 -68.3 -44.9 37.3 2.7 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.9 45.8 -61.9 -37.1 33.7 3.1 -1.7 154 154 A R H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.933 127.3 23.0 -72.1 -41.5 34.6 2.1 -5.2 155 155 A T H < S- 0 0 45 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.630 83.9-134.9-101.5 -23.3 36.8 -0.9 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.7 2,-0.3 -5,-0.3 -62,-0.2 0.759 72.0 110.8 68.5 23.3 35.8 -2.2 -1.0 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.878 72.7-132.0-126.4 160.0 39.5 -2.5 -0.3 158 158 A W >> + 0 0 39 -2,-0.3 3,-2.3 1,-0.2 4,-0.7 0.208 69.1 119.3 -93.3 12.6 41.9 -0.6 2.1 159 159 A D G >4 + 0 0 114 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.849 67.5 59.5 -49.0 -39.4 44.5 -0.1 -0.6 160 160 A A G 34 S+ 0 0 26 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.714 108.5 45.1 -66.3 -17.6 44.3 3.7 -0.4 161 161 A Y G X4 S+ 0 0 2 -3,-2.3 3,-1.4 -13,-0.1 2,-0.4 0.463 85.8 114.5-103.5 -0.8 45.3 3.6 3.3 162 162 A K T << S+ 0 0 103 -3,-1.3 -3,-0.0 -4,-0.7 0, 0.0 -0.600 83.4 15.0 -74.7 123.1 48.0 1.1 2.6 163 163 A N T 3 0 0 159 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 0.298 360.0 360.0 95.8 -0.6 51.3 2.9 3.4 164 164 A L < 0 0 113 -3,-1.4 -2,-0.1 0, 0.0 -3,-0.1 0.705 360.0 360.0 -95.6 360.0 50.1 5.9 5.4