==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-09 3K2R . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.TOLEDO WARSHAVIAK,D.CASCIO,V.V.KHRAMTSOV,W.L.HUBBELL . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 6.2 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 . 1 0.6 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 2 0 1 1 2 0 0 1 1 1 0 0 0 0 0 1 0 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 60 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.1 -16.6 -1.5 8.8 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.927 360.0 -77.4-162.8 178.0 -19.9 -0.6 10.4 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.859 127.3 51.4 -57.9 -37.5 -22.0 2.5 11.0 4 4 A F H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.957 113.7 42.6 -64.8 -49.4 -19.8 3.7 13.9 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.870 114.2 53.7 -63.5 -35.0 -16.6 3.4 12.0 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.951 112.4 41.2 -66.2 -52.6 -18.2 5.0 8.9 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.835 109.3 60.0 -68.3 -31.6 -19.4 8.1 10.7 8 8 A R H X S+ 0 0 104 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.917 109.2 45.0 -59.2 -41.1 -16.2 8.3 12.7 9 9 A I H < S+ 0 0 86 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.952 117.3 43.6 -64.4 -48.4 -14.4 8.6 9.3 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 124.7 32.5 -69.5 -34.1 -16.9 11.1 7.9 11 11 A E H < S- 0 0 38 -4,-2.9 19,-0.5 -5,-0.2 -1,-0.2 0.658 92.1-153.7-100.1 -19.2 -17.2 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.164 23.8 -86.8 72.0-172.6 -13.7 13.1 12.6 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.951 45.4 165.3-142.5 116.6 -13.0 13.6 16.3 14 14 A R E -A 28 0A 141 14,-1.8 14,-2.5 -2,-0.4 4,-0.1 -1.000 22.3-159.3-134.2 132.7 -12.4 16.9 18.0 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.524 73.4 62.7 -94.4 -6.6 -12.4 17.5 21.7 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.904 99.8 -86.8-116.0 148.5 -13.0 21.2 21.7 17 17 A I E + 0 0 32 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.247 59.4 163.5 -50.8 131.7 -16.0 23.1 20.4 18 18 A Y E -A 26 0A 29 8,-2.5 8,-3.0 6,-0.1 2,-0.5 -0.894 39.8 -97.0-142.4 172.0 -15.5 23.9 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.842 35.0-140.5 -99.4 135.7 -17.6 24.9 13.7 20 20 A D > - 0 0 47 4,-2.6 3,-1.9 -2,-0.5 -1,-0.1 -0.000 42.5 -77.8 -78.7-171.2 -18.9 22.2 11.3 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 133.8 50.8 -64.9 -22.2 -19.1 22.5 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.434 122.3-105.2 -90.6 -3.0 -22.2 24.6 7.9 23 23 A G S < S+ 0 0 38 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.566 76.0 138.8 88.7 11.3 -20.6 27.0 10.4 24 24 A Y - 0 0 74 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.715 62.1-101.0 -97.8 140.7 -22.5 25.5 13.3 25 25 A Y E +A 19 0A 35 9,-0.4 8,-2.8 11,-0.4 9,-1.3 -0.344 55.3 159.5 -62.9 131.9 -21.0 24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.5 6,-0.3 2,-0.3 -0.874 18.7-170.1-146.9 162.9 -20.2 21.2 17.1 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.4 -2,-0.3 2,-0.2 -0.981 50.8 7.4-153.9 164.1 -18.0 18.9 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.8 -2,-0.3 2,-0.9 -0.419 123.6 -6.7 74.2-130.9 -16.8 15.3 19.4 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.707 129.2 -52.3-103.5 75.8 -17.7 13.1 16.5 30 30 A G T 4 S+ 0 0 11 -2,-0.9 2,-1.1 -19,-0.5 -2,-0.2 0.784 82.1 165.3 63.8 30.1 -20.0 15.4 14.6 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.5 -20,-0.1 2,-0.2 -0.675 30.0-143.9 -79.7 102.1 -22.2 16.3 17.6 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.472 19.3-177.2 -64.8 127.9 -24.1 19.4 16.6 33 33 A L - 0 0 11 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.865 57.6 -31.4 -94.2 -45.0 -24.6 21.6 19.6 34 34 A T - 0 0 31 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.969 34.3-133.8-168.7 155.4 -26.7 24.5 18.2 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.437 75.9 112.7 -93.7 -3.8 -27.4 26.5 15.0 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.389 71.4-136.1 -65.7 141.4 -27.2 29.7 17.1 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.483 76.0 106.9 -76.0 0.9 -24.2 32.0 16.4 38 38 A S > - 0 0 49 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.714 55.9-162.9 -87.0 116.0 -23.8 32.3 20.2 39 39 A L H > S+ 0 0 69 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.871 95.0 56.0 -60.7 -36.9 -20.8 30.5 21.6 40 40 A N H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 105.6 51.1 -62.2 -40.6 -22.3 30.8 25.1 41 41 A A H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.920 110.8 48.8 -59.2 -44.4 -25.5 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.896 109.9 51.3 -62.1 -41.5 -23.3 26.3 22.3 43 43 A K H X S+ 0 0 77 -4,-2.6 4,-2.5 2,-0.2 11,-0.2 0.892 108.4 51.9 -64.5 -38.5 -21.4 25.9 25.6 44 44 A S H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.915 108.6 50.8 -63.7 -42.9 -24.7 25.7 27.5 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.898 109.9 51.4 -59.5 -39.7 -25.9 22.9 25.1 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.938 108.6 49.2 -63.8 -46.5 -22.6 21.1 25.8 47 47 A D H X>S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 5,-1.0 0.908 112.8 48.6 -59.6 -42.2 -23.0 21.3 29.6 48 48 A K H <5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 112.4 48.4 -64.9 -42.0 -26.5 19.9 29.3 49 49 A A H <5S+ 0 0 38 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.870 120.9 34.8 -66.2 -37.6 -25.5 17.1 27.0 50 50 A I H <5S- 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.760 103.2-126.5 -90.1 -28.4 -22.5 16.0 29.2 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.744 75.6 78.0 84.2 26.6 -24.1 16.7 32.6 52 52 A R S - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.495 32.8-109.2 -89.6 165.4 -12.7 13.8 26.9 60 60 A K H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 121.3 54.0 -59.4 -41.0 -12.6 11.2 24.2 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 109.1 48.8 -62.1 -37.9 -14.8 8.9 26.3 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 109.1 52.1 -68.3 -41.0 -17.3 11.7 26.5 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.929 111.2 48.0 -58.7 -43.3 -17.2 12.3 22.7 64 64 A E H X S+ 0 0 92 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.847 108.0 56.1 -67.9 -30.3 -17.8 8.5 22.3 65 65 A C H X S+ 0 0 65 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.958 110.1 42.9 -63.2 -53.7 -20.7 8.7 24.7 66 66 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.899 111.7 57.1 -57.8 -40.2 -22.5 11.5 22.7 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.923 105.6 48.3 -60.9 -45.8 -21.7 9.6 19.5 68 68 A N H X S+ 0 0 80 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.910 113.0 48.7 -61.8 -42.4 -23.4 6.4 20.7 69 69 A Q H X S+ 0 0 100 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.903 112.2 49.5 -60.8 -41.5 -26.5 8.5 21.7 70 70 A D H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.877 109.4 49.8 -69.4 -38.6 -26.5 10.3 18.4 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.950 112.9 48.3 -64.6 -47.1 -26.3 7.0 16.3 72 72 A D H X S+ 0 0 105 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.916 110.2 52.1 -53.2 -46.4 -29.2 5.7 18.4 73 73 A A H X S+ 0 0 60 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.885 108.0 51.2 -62.5 -39.3 -31.1 8.9 17.8 74 74 A A H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.916 111.8 46.4 -63.3 -45.3 -30.6 8.7 14.1 75 75 A V H X S+ 0 0 32 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 113.0 50.0 -63.1 -46.6 -31.9 5.1 14.0 76 76 A C H X S+ 0 0 70 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.921 108.0 53.5 -54.1 -44.7 -34.8 6.0 16.2 77 77 A G H < S+ 0 0 10 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.895 110.8 47.1 -59.5 -42.1 -35.6 9.0 13.9 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.5 0.951 112.1 48.4 -61.1 -51.7 -35.7 6.7 10.9 79 79 A L H 3< S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.772 112.6 48.3 -65.5 -27.0 -37.9 4.0 12.6 80 80 A R T 3< S+ 0 0 206 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.3 0.484 94.3 90.8 -90.3 -4.9 -40.4 6.6 13.8 81 81 A N <> - 0 0 17 -3,-1.2 4,-2.7 -4,-0.5 -4,-0.0 -0.820 67.6-148.8-100.9 124.1 -40.7 8.3 10.4 82 82 A A T 4 S+ 0 0 94 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.729 98.7 43.7 -64.1 -23.1 -43.4 7.1 8.1 83 83 A K T > S+ 0 0 106 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.856 119.0 40.2 -86.9 -39.2 -41.3 7.9 5.0 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.7 -6,-0.2 5,-0.2 0.858 103.1 65.1 -81.8 -36.9 -38.0 6.6 6.2 85 85 A K H X S+ 0 0 85 -4,-2.7 4,-3.1 -7,-0.5 5,-0.3 0.919 99.8 50.1 -57.2 -49.8 -39.0 3.4 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.894 113.7 47.0 -58.2 -37.4 -40.2 1.5 4.9 87 87 A V H X S+ 0 0 3 -4,-0.6 4,-0.7 2,-0.2 3,-0.3 0.960 113.2 47.8 -67.9 -49.7 -37.0 2.4 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.931 109.9 52.8 -51.9 -50.3 -34.8 1.4 5.9 89 89 A D H 3< S+ 0 0 73 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 108.1 52.9 -55.5 -35.5 -36.7 -1.9 6.3 90 90 A S H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.611 96.7 88.5 -78.1 -14.1 -36.1 -2.7 2.6 91 91 A L S << S- 0 0 7 -3,-1.5 2,-0.1 -4,-0.7 31,-0.0 -0.521 75.5-118.4 -92.3 153.9 -32.4 -2.2 2.7 92 92 A D > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.330 44.7 -95.0 -72.6 167.6 -29.4 -4.5 3.4 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.826 122.4 51.6 -61.1 -37.8 -27.2 -3.6 6.4 94 94 A V H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.948 113.6 43.5 -66.1 -47.4 -24.6 -1.7 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.835 107.9 60.1 -68.2 -30.0 -27.2 0.5 2.8 96 96 A R H X S+ 0 0 79 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.916 103.3 52.6 -57.7 -43.2 -29.0 1.0 6.1 97 97 A A H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.902 105.3 54.3 -60.0 -41.3 -25.7 2.5 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.902 109.8 46.8 -59.0 -41.7 -25.7 4.9 4.4 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.916 110.8 51.1 -68.6 -42.2 -29.2 6.1 5.4 100 100 A I H X S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.909 108.1 54.9 -56.3 -42.0 -28.3 6.4 9.1 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.939 107.7 48.0 -58.8 -48.2 -25.3 8.5 7.9 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.913 112.9 47.9 -59.7 -44.5 -27.6 10.9 6.0 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.888 108.8 54.3 -66.4 -37.7 -29.9 11.3 8.9 104 104 A F H < S+ 0 0 31 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.917 117.3 37.7 -58.8 -41.8 -27.0 11.9 11.3 105 105 A Q H < S+ 0 0 54 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.896 134.4 17.7 -78.7 -40.3 -25.8 14.7 9.1 106 106 A M H < S- 0 0 61 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.520 103.0-117.0-113.6 -15.1 -29.1 16.3 7.9 107 107 A G X - 0 0 29 -4,-2.2 4,-2.2 -5,-0.4 5,-0.2 0.072 32.9 -76.7 87.7 159.9 -31.7 15.1 10.4 108 108 A E H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 126.5 50.7 -60.3 -47.5 -34.9 13.1 9.9 109 109 A T H > S+ 0 0 115 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.926 110.9 49.0 -62.2 -44.1 -37.0 15.8 8.4 110 110 A G H >4 S+ 0 0 34 -4,-0.5 3,-0.8 1,-0.2 4,-0.3 0.943 114.1 43.5 -61.1 -50.7 -34.4 16.7 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.885 107.7 59.1 -66.1 -37.4 -33.8 13.1 4.6 112 112 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.743 96.8 66.2 -62.5 -19.5 -37.5 12.3 4.6 113 113 A G T << S+ 0 0 46 -4,-0.9 2,-1.9 -3,-0.8 -1,-0.3 0.608 74.2 88.2 -75.6 -14.4 -37.8 15.2 2.1 114 114 A F <> + 0 0 42 -3,-2.0 4,-2.7 -4,-0.3 3,-0.3 -0.276 55.7 159.1 -77.9 52.5 -35.7 13.2 -0.5 115 115 A T H > + 0 0 71 -2,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.832 66.8 42.8 -52.0 -46.8 -39.0 11.7 -1.7 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.889 114.6 50.1 -73.2 -35.0 -37.8 10.6 -5.2 117 117 A S H > S+ 0 0 4 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.917 109.3 52.6 -65.1 -44.0 -34.5 9.3 -4.0 118 118 A L H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.909 108.2 50.9 -58.2 -43.1 -36.2 7.2 -1.3 119 119 A R H X S+ 0 0 124 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.937 109.9 49.1 -60.8 -46.7 -38.5 5.7 -3.9 120 120 A M H <>S+ 0 0 41 -4,-2.1 5,-2.4 1,-0.2 4,-0.4 0.876 110.8 51.2 -62.3 -37.9 -35.6 4.7 -6.1 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.2 2,-0.2 -1,-0.2 0.925 110.2 48.0 -64.0 -43.9 -33.8 3.2 -3.1 122 122 A Q H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.866 110.8 52.2 -66.4 -31.6 -36.9 1.1 -2.2 123 123 A Q T 3<5S- 0 0 86 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.532 110.7-127.2 -74.8 -9.7 -37.1 0.1 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.2 2,-1.2 -4,-0.4 -3,-0.2 0.815 59.6 147.1 60.3 35.4 -33.5 -1.0 -5.7 125 125 A R >< + 0 0 121 -5,-2.4 4,-2.7 1,-0.2 -1,-0.2 -0.718 21.2 173.8 -95.2 81.2 -32.6 1.1 -8.7 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.857 67.9 44.9 -70.9 -42.5 -29.2 1.8 -7.4 127 127 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 116.9 47.9 -66.6 -41.1 -27.5 3.7 -10.3 128 128 A E H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 111.2 50.2 -64.9 -42.8 -30.6 5.8 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.916 108.8 53.3 -60.9 -41.9 -30.8 6.5 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.912 109.4 47.6 -60.4 -45.0 -27.2 7.5 -7.0 131 131 A V H X S+ 0 0 85 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.925 114.6 47.2 -60.9 -42.2 -27.7 10.0 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.896 107.1 55.6 -69.2 -39.5 -30.8 11.5 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.819 101.9 58.2 -61.8 -32.4 -29.1 11.8 -4.7 134 134 A A H 3< S+ 0 0 31 -4,-1.3 2,-1.8 -3,-0.2 -1,-0.3 0.662 85.7 81.0 -74.6 -16.8 -26.3 13.9 -6.2 135 135 A K S << S+ 0 0 156 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.537 81.6 99.4 -86.8 68.3 -28.8 16.5 -7.5 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.996 85.2-119.0-154.0 150.3 -29.0 18.0 -4.0 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.913 116.3 61.8 -55.7 -40.4 -27.7 20.9 -1.9 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.934 106.3 41.4 -49.9 -55.3 -26.3 18.1 0.3 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.0 52.0 -61.5 -44.8 -24.0 16.8 -2.5 140 140 A N H < S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 114.9 40.3 -62.2 -36.8 -23.1 20.3 -3.6 141 141 A Q H < S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.815 133.1 21.2 -86.1 -32.2 -22.1 21.4 -0.1 142 142 A T S X S+ 0 0 18 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.579 74.0 160.0-130.9 71.0 -20.3 18.2 1.0 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.886 71.2 49.4 -69.5 -38.3 -19.4 16.5 -2.3 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.935 116.6 41.7 -65.9 -42.9 -16.7 14.1 -1.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 115.9 50.3 -68.0 -42.7 -18.7 12.9 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.905 107.0 54.8 -62.7 -40.2 -21.8 12.7 -0.2 147 147 A K H X S+ 0 0 101 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.895 109.0 48.5 -57.5 -40.4 -19.9 10.7 -2.9 148 148 A R H X S+ 0 0 65 -4,-1.7 4,-1.6 2,-0.2 12,-0.2 0.929 114.5 44.3 -67.1 -43.6 -18.9 8.2 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.924 115.1 48.8 -66.1 -44.6 -22.4 7.8 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.908 108.6 53.0 -62.7 -42.8 -23.8 7.6 -2.5 151 151 A T H X S+ 0 0 36 -4,-2.7 4,-2.6 -5,-0.2 6,-0.4 0.868 106.9 54.2 -57.5 -36.8 -21.2 5.0 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.928 111.7 43.2 -65.0 -45.3 -22.4 3.0 -0.5 153 153 A F H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.880 115.5 50.4 -63.1 -40.5 -26.0 3.1 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.940 125.7 21.9 -65.3 -45.6 -24.9 2.4 -5.3 155 155 A T H < S- 0 0 40 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.692 86.2-134.1 -98.7 -26.2 -22.7 -0.7 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.693 73.8 105.5 71.4 18.2 -23.9 -2.0 -1.3 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.723 80.6-121.6-120.9 172.7 -20.3 -2.3 -0.3 158 158 A W S >> S+ 0 0 37 -2,-0.2 3,-2.4 1,-0.2 4,-0.9 0.116 71.2 122.9 -96.4 18.3 -17.9 -0.4 2.0 159 159 A D G >4 + 0 0 110 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.803 67.3 58.2 -54.8 -32.0 -15.5 0.3 -0.9 160 160 A A G 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.629 111.7 41.8 -74.9 -12.2 -15.7 4.1 -0.4 161 161 A Y G <4 0 0 19 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.458 360.0 360.0-112.5 -6.7 -14.4 3.7 3.2 162 162 A K << 0 0 172 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.1 0.891 360.0 360.0 -96.2 360.0 -11.7 1.1 2.7