==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-99 1D3J . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 12 7.4 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 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 0 2 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 155.9 43.6 -1.8 9.3 2 2 A N > - 0 0 66 156,-0.0 4,-3.4 95,-0.0 5,-0.3 -0.946 360.0 -81.9-154.5 176.0 40.4 -0.7 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.860 124.8 51.1 -51.4 -39.9 38.2 2.4 11.3 4 4 A F H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.950 112.9 43.7 -66.7 -44.8 40.4 3.7 14.2 5 5 A E H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.893 112.6 53.7 -66.2 -41.7 43.5 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.970 112.8 40.9 -60.0 -53.2 42.0 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.843 108.4 61.5 -64.7 -29.2 40.8 7.9 10.9 8 8 A R H X S+ 0 0 101 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.912 107.7 46.0 -65.1 -32.1 43.9 8.2 12.9 9 9 A I H < S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.955 115.3 45.0 -72.6 -45.4 45.7 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.806 123.8 32.0 -70.4 -28.1 43.2 11.1 8.1 11 11 A E H < S- 0 0 45 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.698 89.7-154.1-104.3 -23.1 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.1 -0.185 25.1 -89.0 76.7-171.2 46.3 13.1 12.9 13 13 A L + 0 0 35 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.925 40.7 173.2-146.4 119.7 46.7 13.8 16.6 14 14 A R E -A 28 0A 134 14,-2.1 14,-2.8 -2,-0.3 4,-0.1 -0.996 19.3-163.3-130.7 132.0 47.3 17.1 18.3 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.2 12,-0.2 2,-0.4 0.399 74.9 66.4 -93.2 3.5 47.3 17.7 22.0 16 16 A K E S-C 57 0B 93 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.929 98.8 -92.5-124.2 144.7 46.9 21.4 21.8 17 17 A I E + 0 0 11 39,-1.4 2,-0.3 -2,-0.4 10,-0.2 -0.250 57.5 167.1 -50.4 146.5 43.8 23.3 20.5 18 18 A Y E -A 26 0A 29 8,-3.5 8,-3.3 -4,-0.1 2,-0.4 -0.940 37.5-100.1-152.0 174.0 44.2 24.0 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.836 33.8-139.8-102.0 137.9 42.2 25.2 13.8 20 20 A D > - 0 0 47 4,-3.0 3,-1.4 -2,-0.4 -1,-0.1 -0.075 42.1 -79.5 -79.7-165.6 41.0 22.6 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.755 135.3 49.7 -67.8 -23.7 41.0 23.0 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.508 124.5-105.9 -88.8 -3.7 37.8 25.1 7.8 23 23 A G S < S+ 0 0 30 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.606 73.4 141.5 91.1 12.5 39.5 27.2 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.718 59.3 -99.6 -91.8 149.9 37.5 25.8 13.5 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-3.3 11,-0.4 9,-1.4 -0.398 54.9 157.2 -68.1 123.7 38.9 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.3 -8,-3.5 -2,-0.3 2,-0.3 -0.881 18.4-173.0-139.4 165.5 39.7 21.4 17.3 27 27 A I E > + B 0 31A 0 4,-1.9 4,-1.9 -2,-0.3 2,-0.3 -0.983 51.4 8.9-153.7 164.5 41.9 19.2 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-2.1 -2,-0.3 2,-0.7 -0.479 122.0 -6.5 75.1-128.2 42.9 15.5 19.7 29 29 A I T 4 S- 0 0 4 34,-0.3 -1,-0.2 -2,-0.3 -17,-0.1 -0.661 126.5 -53.1-110.8 72.4 41.9 13.3 16.9 30 30 A G T 4 S+ 0 0 16 -2,-0.7 2,-1.0 -19,-0.3 -2,-0.2 0.748 84.6 160.2 72.2 22.3 39.7 15.5 14.8 31 31 A H E < -B 27 0A 34 -4,-1.9 -4,-1.9 1,-0.0 -1,-0.2 -0.651 32.3-144.2 -85.0 107.6 37.5 16.4 17.8 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.351 17.5-175.5 -64.3 131.1 35.7 19.6 16.8 33 33 A L E - 0 0 14 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.899 56.2 -28.6 -97.2 -43.8 35.3 21.8 19.6 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.943 35.6-133.9-167.1 152.5 33.2 24.7 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.599 74.7 111.5 -88.6 -8.7 32.5 26.7 15.3 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.328 72.2-132.8 -71.3 148.0 32.8 29.8 17.2 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.624 77.0 103.7 -67.4 -20.0 35.6 32.2 16.6 38 38 A S > - 0 0 49 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.566 55.9-161.6 -81.5 120.8 36.3 32.5 20.3 39 39 A L H > S+ 0 0 66 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.847 95.2 53.4 -64.0 -31.3 39.2 30.7 21.8 40 40 A N H > S+ 0 0 114 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.928 104.4 53.5 -70.5 -42.2 37.7 30.9 25.2 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 111.5 48.5 -57.0 -38.4 34.6 29.5 24.0 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.891 109.8 49.3 -66.7 -40.7 36.8 26.7 22.7 43 43 A K H X S+ 0 0 54 -4,-2.6 4,-2.2 1,-0.2 11,-0.2 0.890 110.2 54.1 -67.8 -32.2 38.6 26.3 25.9 44 44 A S H X S+ 0 0 68 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.958 108.2 45.2 -67.1 -50.7 35.4 26.2 27.6 45 45 A E H X S+ 0 0 69 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.887 110.9 57.3 -61.0 -37.8 33.9 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.957 107.0 45.8 -59.5 -46.2 37.2 21.6 26.0 47 47 A D H X>S+ 0 0 32 -4,-2.2 4,-3.0 1,-0.2 5,-1.2 0.917 111.8 51.9 -62.8 -38.0 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 141 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.858 111.0 48.4 -66.3 -33.9 33.5 20.6 29.8 49 49 A A H <5S+ 0 0 47 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.917 120.1 36.4 -72.8 -36.6 34.4 17.7 27.5 50 50 A I H <5S- 0 0 35 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.769 102.4-126.8 -87.2 -33.0 37.3 16.5 29.5 51 51 A G T <5S+ 0 0 67 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.795 76.6 68.0 88.1 30.4 36.0 17.2 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-1.6 -11,-0.2 -1,-0.2 0.676 31.2-143.6 -92.3 -20.1 42.7 22.0 30.8 55 55 A N T 3 S- 0 0 127 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.889 74.7 -58.3 56.5 35.4 44.1 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.545 116.9 100.7 72.7 8.2 43.9 24.1 26.2 57 57 A V B < +C 16 0B 69 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.969 44.4 178.6-129.8 140.1 46.1 21.1 26.5 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.847 25.4-110.5-129.8 172.1 45.2 17.5 26.9 59 59 A T > - 0 0 64 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.614 32.0-107.4 -98.0 167.2 47.0 14.1 27.2 60 60 A K H > S+ 0 0 111 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.854 120.8 52.4 -55.8 -45.4 47.2 11.3 24.8 61 61 A D H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.900 108.7 50.0 -59.4 -41.7 44.9 9.2 26.9 62 62 A E H > S+ 0 0 38 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 110.8 50.3 -63.9 -44.7 42.4 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -34,-0.3 0.930 111.2 48.7 -57.6 -47.0 42.5 12.4 23.2 64 64 A E H X S+ 0 0 75 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.869 107.8 54.3 -63.5 -34.4 42.1 8.7 22.7 65 65 A K H X S+ 0 0 142 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.949 109.7 45.7 -66.6 -43.8 39.2 8.6 25.0 66 66 A M H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.902 109.8 57.6 -62.0 -37.9 37.4 11.4 23.1 67 67 A F H X S+ 0 0 13 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.960 104.8 50.5 -59.2 -46.7 38.3 9.6 19.9 68 68 A N H X S+ 0 0 88 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.925 111.5 46.7 -58.3 -41.1 36.6 6.5 21.0 69 69 A Q H X S+ 0 0 100 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.922 111.0 52.2 -67.9 -40.3 33.4 8.3 22.0 70 70 A D H X S+ 0 0 36 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.870 109.4 49.3 -63.3 -36.4 33.4 10.2 18.7 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.959 112.0 48.7 -64.5 -47.6 33.7 7.0 16.7 72 72 A D H X S+ 0 0 84 -4,-2.3 4,-3.1 -5,-0.3 5,-0.3 0.931 109.6 52.0 -55.2 -44.7 30.9 5.4 18.6 73 73 A A H X S+ 0 0 49 -4,-2.4 4,-3.1 -5,-0.3 -1,-0.2 0.925 106.9 53.6 -61.1 -43.2 28.8 8.4 18.2 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.963 111.0 45.4 -57.7 -48.9 29.3 8.3 14.4 75 75 A V H X S+ 0 0 31 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.972 114.2 49.1 -57.8 -48.6 28.2 4.7 14.1 76 76 A R H X S+ 0 0 114 -4,-3.1 4,-1.5 -5,-0.3 -1,-0.2 0.910 108.5 53.1 -60.7 -38.7 25.3 5.3 16.3 77 77 A G H X S+ 0 0 4 -4,-3.1 4,-0.7 -5,-0.3 3,-0.3 0.929 109.6 49.4 -62.9 -41.6 24.4 8.4 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 7,-0.4 0.949 109.3 51.6 -59.6 -47.5 24.5 6.3 11.1 79 79 A L H 3< S+ 0 0 67 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.754 110.9 47.7 -67.1 -21.1 22.3 3.6 12.6 80 80 A R H 3< S+ 0 0 180 -4,-1.5 2,-0.6 -3,-0.3 -1,-0.3 0.486 91.9 96.0 -92.4 -10.4 19.7 6.0 13.7 81 81 A N S+ 0 0 128 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.840 119.1 41.6 -90.3 -28.9 18.9 7.5 5.0 84 84 A L H >> S+ 0 0 0 -7,-0.2 4,-2.9 1,-0.2 3,-0.5 0.880 98.8 68.8 -81.0 -43.8 22.1 6.1 6.2 85 85 A K H 3X S+ 0 0 88 -4,-3.0 4,-3.3 -7,-0.4 5,-0.3 0.921 99.3 47.9 -44.1 -51.9 21.2 3.0 7.8 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.893 111.7 50.2 -64.2 -33.2 20.2 1.1 4.8 87 87 A V H < S+ 0 0 30 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.897 109.6 54.8 -55.2 -43.6 25.5 1.0 5.7 89 89 A D H 3< S+ 0 0 73 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.866 105.7 53.3 -64.4 -27.0 23.6 -2.3 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.647 96.0 90.2 -80.2 -15.5 24.1 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.0 2,-0.0 -4,-0.8 31,-0.0 -0.566 73.8-118.0 -87.3 157.2 27.8 -2.6 2.6 92 92 A D > - 0 0 54 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.227 44.8 -92.1 -77.4 168.4 30.8 -4.9 3.3 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.844 120.6 47.5 -55.2 -41.7 33.1 -4.2 6.2 94 94 A V H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.936 112.0 48.3 -67.5 -48.2 35.7 -2.1 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 104.7 60.8 -66.6 -29.6 33.3 0.1 2.8 96 96 A R H X S+ 0 0 78 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.925 100.7 54.7 -57.9 -41.4 31.4 0.7 6.0 97 97 A A H X S+ 0 0 5 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.884 104.2 55.7 -60.3 -35.7 34.5 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.3 0.901 107.3 47.9 -65.0 -37.8 34.5 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.924 109.6 53.8 -69.8 -37.3 31.0 5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-3.0 4,-3.6 1,-0.2 5,-0.3 0.958 105.2 54.3 -59.3 -43.0 31.9 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.949 108.3 48.2 -55.3 -47.8 34.9 8.3 8.0 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.917 112.1 49.0 -62.5 -38.9 32.8 10.6 6.0 103 103 A V H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.931 109.5 52.3 -67.4 -36.4 30.2 10.9 8.8 104 104 A F H < S+ 0 0 32 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 0.917 116.3 41.1 -65.8 -33.3 33.0 11.6 11.4 105 105 A Q H < S+ 0 0 58 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.884 132.3 17.7 -82.2 -33.0 34.3 14.4 9.2 106 106 A M H X S- 0 0 54 -4,-2.8 4,-0.7 -5,-0.2 -3,-0.2 0.491 101.4-109.3-123.8 -1.3 31.1 15.9 8.1 107 107 A G H X - 0 0 32 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.205 33.8 -85.1 85.8 150.6 28.2 14.9 10.2 108 108 A E H > S+ 0 0 59 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.879 126.6 53.6 -63.2 -38.0 25.3 12.8 9.5 109 109 A T H > S+ 0 0 118 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.943 106.3 49.6 -65.5 -47.3 23.5 15.5 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.7 1,-0.2 -2,-0.2 0.937 115.7 45.3 -55.7 -48.3 26.1 16.4 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.7 1,-0.3 -1,-0.2 0.907 104.0 58.6 -65.3 -45.0 26.4 12.8 4.5 112 112 A A H 3< S+ 0 0 11 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.751 96.2 70.7 -58.4 -20.7 22.8 12.1 4.3 113 113 A G T << S+ 0 0 57 -4,-1.1 2,-1.1 -3,-0.7 3,-0.3 0.545 75.3 82.3 -70.7 -8.5 22.8 15.0 1.7 114 114 A F <> + 0 0 40 -3,-2.7 4,-2.7 1,-0.2 3,-0.3 -0.288 56.7 156.0 -94.4 57.6 24.7 12.9 -0.9 115 115 A T H > + 0 0 83 -2,-1.1 4,-1.9 1,-0.3 -1,-0.2 0.848 65.5 47.5 -49.1 -52.5 21.6 11.2 -2.1 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.897 113.4 47.7 -62.6 -38.9 22.6 10.3 -5.4 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.898 109.5 54.7 -67.9 -38.2 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.894 106.2 50.7 -60.3 -44.3 24.3 6.9 -1.6 119 119 A R H X S+ 0 0 123 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.924 111.0 50.5 -59.9 -41.0 21.8 5.3 -4.0 120 120 A M H <>S+ 0 0 33 -4,-1.7 5,-2.0 2,-0.2 4,-0.3 0.833 109.3 48.9 -66.1 -40.4 24.7 4.3 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.923 108.9 54.1 -68.1 -38.4 26.6 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.889 108.6 49.0 -59.8 -37.6 23.5 0.9 -2.3 123 123 A Q T 3<5S- 0 0 91 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.446 112.8-120.1 -81.4 0.4 23.3 -0.5 -5.8 124 124 A K T < 5 + 0 0 103 -3,-1.8 2,-1.4 -4,-0.3 3,-0.2 0.745 62.3 147.9 64.3 30.9 27.0 -1.5 -5.8 125 125 A R >< + 0 0 117 -5,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.635 20.6 173.8 -92.0 74.0 27.8 0.7 -8.8 126 126 A W H > S+ 0 0 49 -2,-1.4 4,-2.1 1,-0.2 5,-0.2 0.915 70.0 43.4 -55.2 -53.6 31.4 1.4 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 114.9 50.4 -61.7 -44.8 32.9 3.3 -10.3 128 128 A E H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 110.7 48.4 -59.8 -41.7 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.5 2,-0.2 -1,-0.2 0.893 107.6 56.0 -64.8 -40.6 29.5 6.4 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.920 109.1 46.7 -62.1 -38.4 33.2 7.3 -7.1 131 131 A V H X S+ 0 0 94 -4,-2.0 4,-0.8 -5,-0.2 3,-0.5 0.968 114.2 46.2 -69.6 -47.7 32.7 9.7 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.920 108.1 57.2 -59.5 -40.7 29.6 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.3 1,-0.2 -1,-0.2 0.868 100.8 59.0 -62.4 -26.4 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-2.0 -3,-0.5 -1,-0.2 0.702 84.6 80.2 -74.8 -17.9 34.0 13.6 -6.5 135 135 A K S << S+ 0 0 169 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.2 -0.545 80.0 99.8 -89.2 77.2 31.7 16.3 -7.7 136 136 A S S > S- 0 0 16 -2,-2.0 4,-2.7 1,-0.1 5,-0.2 -1.000 83.5-119.0-158.5 152.3 31.5 17.9 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.921 114.5 62.8 -58.5 -41.7 32.8 20.7 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.960 106.9 42.7 -47.7 -49.5 34.2 18.0 0.1 139 139 A Y H 4 S+ 0 0 63 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.8 52.0 -67.8 -41.1 36.4 16.7 -2.7 140 140 A N H < S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 115.1 40.9 -62.7 -34.5 37.4 20.2 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 130.5 21.5 -84.8 -35.9 38.4 21.3 -0.3 142 142 A T S X S+ 0 0 23 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 -0.560 71.6 161.7-134.7 75.5 40.2 18.2 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.816 67.0 55.0 -62.4 -44.0 41.1 16.3 -2.1 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.951 115.4 39.0 -63.7 -42.2 43.8 14.0 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.939 113.3 54.2 -69.7 -45.6 41.6 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.3 5,-0.2 0.928 107.4 54.4 -55.1 -39.4 38.5 12.5 -0.2 147 147 A K H X S+ 0 0 89 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.895 106.4 50.1 -59.5 -43.1 40.6 10.5 -2.6 148 148 A R H X S+ 0 0 68 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.926 113.1 45.4 -63.9 -40.3 41.5 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.901 112.3 50.8 -68.7 -43.3 37.9 7.5 1.0 150 150 A I H X S+ 0 0 15 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.883 108.4 51.5 -61.5 -40.1 36.6 7.3 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-3.3 1,-0.2 6,-0.4 0.880 107.4 55.2 -64.9 -35.3 39.2 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.907 110.6 42.3 -64.5 -42.4 38.1 2.8 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.2 52.3 -68.7 -35.1 34.5 2.8 -1.7 154 154 A R H < S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.929 123.2 23.6 -67.7 -43.1 35.6 2.1 -5.1 155 155 A T H < S- 0 0 45 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.582 84.3-135.3-100.0 -15.5 37.8 -0.9 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 -5,-0.2 -62,-0.2 0.655 74.9 98.9 67.8 13.8 36.5 -2.4 -1.2 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -2,-0.2 -0.806 80.3-120.2-126.1 175.2 40.2 -2.7 -0.1 158 158 A W S >> S+ 0 0 46 -2,-0.3 3,-2.7 1,-0.2 4,-0.6 0.199 71.6 121.2 -95.5 12.3 42.6 -0.6 2.2 159 159 A D G >4 + 0 0 88 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.832 66.7 59.6 -48.5 -38.6 45.1 0.0 -0.6 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.656 110.0 44.9 -67.1 -15.5 44.8 3.9 -0.3 161 161 A Y G <4 0 0 18 -3,-2.7 -1,-0.3 -13,-0.1 -2,-0.2 0.498 360.0 360.0-110.3 4.4 45.8 3.7 3.2 162 162 A K << 0 0 180 -3,-1.7 -2,-0.2 -4,-0.6 -3,-0.1 0.885 360.0 360.0 -90.6 360.0 48.7 1.3 2.7