==== 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 1PQI . 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) . 8711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 7.3 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 . 84 51.2 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 1 2 0 0 1 1 0 0 0 0 0 1 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 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.1 43.2 -1.5 8.7 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.908 360.0 -78.1-159.8 175.4 39.9 -0.6 10.5 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.835 126.7 48.9 -52.3 -39.9 37.8 2.5 11.2 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.941 113.4 44.2 -69.3 -46.4 40.1 3.7 14.0 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.910 115.1 51.3 -63.7 -37.3 43.3 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.939 113.5 41.7 -62.6 -53.2 41.7 4.9 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.858 110.0 59.0 -67.8 -33.2 40.4 7.9 10.9 8 8 A R H X S+ 0 0 105 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.901 108.8 45.9 -62.7 -35.6 43.6 8.2 12.8 9 9 A I H < S+ 0 0 44 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.941 116.5 44.3 -67.5 -48.5 45.4 8.5 9.4 10 10 A D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.782 124.9 30.4 -68.7 -31.8 42.9 11.0 8.1 11 11 A E H < S- 0 0 30 -4,-2.6 19,-0.4 1,-0.2 -1,-0.2 0.675 90.5-154.2-103.1 -23.0 42.6 13.3 11.2 12 12 A G < - 0 0 19 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.2 -0.293 26.7 -85.7 75.3-168.1 46.1 12.9 12.8 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.945 44.0 170.8-147.5 119.4 46.6 13.5 16.5 14 14 A R E -A 28 0A 120 14,-1.8 14,-2.6 -2,-0.4 4,-0.1 -0.998 18.4-162.4-133.8 126.0 47.2 16.8 18.2 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.2 12,-0.2 2,-0.4 0.439 74.6 60.9 -86.4 -6.2 47.2 17.3 22.0 16 16 A K E S-C 57 0B 94 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.917 102.7 -83.8-122.0 152.7 46.7 21.0 22.0 17 17 A I E + 0 0 14 39,-1.9 2,-0.2 -2,-0.4 10,-0.2 -0.250 58.1 165.6 -53.7 135.4 43.8 22.9 20.6 18 18 A Y E -A 26 0A 27 8,-2.7 8,-2.9 -4,-0.1 2,-0.4 -0.814 37.5-100.9-141.6 177.8 44.2 23.5 16.8 19 19 A K E -A 25 0A 119 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.912 33.5-137.2-110.0 137.7 42.0 24.6 13.9 20 20 A D > - 0 0 47 4,-2.8 3,-1.9 -2,-0.4 -1,-0.1 0.029 42.8 -77.1 -76.9-169.8 40.6 22.0 11.5 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.741 134.4 50.2 -62.8 -23.1 40.4 22.3 7.7 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.351 123.7-102.8 -92.2 -0.0 37.5 24.6 8.1 23 23 A G S < S+ 0 0 40 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.514 75.7 140.9 92.8 2.8 39.1 26.8 10.6 24 24 A Y - 0 0 76 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.596 60.2-100.7 -89.9 142.1 37.3 25.4 13.6 25 25 A Y E +AB 19 34A 36 9,-0.6 8,-2.9 11,-0.4 9,-1.4 -0.351 55.4 158.2 -61.8 130.7 38.6 24.7 17.0 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.918 20.2-166.0-145.5 164.3 39.5 21.0 17.4 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.5 -2,-0.3 2,-0.2 -0.985 52.0 2.0-152.3 165.2 41.6 18.7 19.5 28 28 A G E 4 S-A 14 0A 1 -14,-2.6 -14,-1.8 -2,-0.3 2,-1.0 -0.398 123.5 -5.0 64.8-127.5 42.9 15.2 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.711 128.3 -52.9-102.1 74.6 41.9 13.0 16.7 30 30 A G T 4 S+ 0 0 13 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.805 82.5 162.0 63.7 31.0 39.6 15.3 14.8 31 31 A H E < -B 27 0A 32 -4,-2.5 -4,-1.8 -20,-0.1 -1,-0.2 -0.729 31.8-143.1 -91.0 106.3 37.4 16.1 17.8 32 32 A L E -B 26 0A 76 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.461 19.3-176.7 -66.3 128.9 35.5 19.2 16.9 33 33 A L E - 0 0 13 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.841 58.7 -36.5 -95.3 -42.5 35.0 21.5 19.8 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.928 35.8-126.2-174.8 156.5 32.9 24.3 18.4 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.456 74.0 120.1 -90.7 -1.3 32.4 26.3 15.3 36 36 A S - 0 0 35 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.364 66.6-137.7 -70.1 143.6 32.8 29.5 17.4 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.628 77.5 103.0 -69.2 -18.1 35.6 32.0 16.7 38 38 A S > - 0 0 46 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.602 56.0-164.7 -78.5 115.6 36.1 32.2 20.3 39 39 A L H > S+ 0 0 58 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.872 95.2 54.7 -62.5 -33.6 39.1 30.4 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 105.7 50.5 -65.9 -42.8 37.6 30.8 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.948 111.1 50.0 -59.4 -46.6 34.5 29.2 24.0 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.896 108.9 51.0 -58.6 -40.1 36.5 26.3 22.6 43 43 A K H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 11,-0.2 0.900 107.5 53.3 -67.2 -34.2 38.4 25.9 25.8 44 44 A S H X S+ 0 0 75 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 108.9 49.9 -63.8 -40.9 35.1 25.8 27.8 45 45 A E H X S+ 0 0 64 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.931 109.7 52.8 -60.9 -43.8 33.9 23.0 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.949 108.4 47.2 -58.5 -49.1 37.2 21.1 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 5,-1.2 0.911 113.1 49.3 -59.9 -41.8 36.9 21.2 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 111.3 50.2 -64.9 -39.5 33.3 20.1 29.6 49 49 A A H <5S+ 0 0 41 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 120.2 34.1 -63.2 -43.1 34.3 17.2 27.2 50 50 A I H <5S- 0 0 38 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.718 104.5-123.4 -86.0 -28.9 37.1 15.9 29.4 51 51 A G T <5S+ 0 0 65 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.720 76.8 75.8 91.0 21.2 35.7 16.7 32.8 52 52 A R S - 0 0 13 -2,-1.1 3,-0.9 -11,-0.2 -1,-0.2 0.640 39.8-137.2 -97.4 -18.5 42.7 21.8 31.1 55 55 A N T 3 S- 0 0 124 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.947 74.8 -57.0 60.4 39.4 43.9 25.1 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.487 112.9 99.2 67.6 12.7 43.7 23.7 26.1 57 57 A V B < -C 16 0B 75 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.998 44.0-179.3-133.6 138.9 46.0 20.6 26.4 58 58 A I - 0 0 5 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.812 27.6-109.5-129.1 164.1 45.1 16.9 26.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.399 34.4-110.0 -85.2 166.9 47.0 13.7 27.2 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 120.5 54.6 -66.1 -38.8 47.0 11.0 24.5 61 61 A D H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 108.5 48.9 -60.3 -44.3 44.8 8.8 26.6 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.936 110.2 51.7 -61.1 -44.8 42.4 11.6 26.9 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.927 109.8 48.3 -58.4 -45.2 42.5 12.1 23.1 64 64 A E H X S+ 0 0 73 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.848 106.3 58.6 -66.3 -31.7 41.8 8.5 22.4 65 65 A K H X S+ 0 0 136 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.963 109.0 42.8 -63.7 -48.0 38.9 8.5 24.9 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.911 114.7 52.7 -61.2 -38.0 37.1 11.3 22.9 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.937 108.0 48.8 -62.7 -47.6 38.0 9.5 19.7 68 68 A N H X S+ 0 0 98 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.946 113.9 48.4 -55.8 -49.4 36.5 6.2 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.921 111.1 50.8 -56.4 -47.1 33.4 8.2 22.0 70 70 A D H X S+ 0 0 37 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.901 111.5 44.7 -62.8 -40.9 33.2 9.9 18.6 71 71 A V H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.961 114.7 50.1 -68.0 -46.1 33.5 6.8 16.5 72 72 A D H X S+ 0 0 91 -4,-2.8 4,-3.3 -5,-0.3 5,-0.3 0.958 112.1 46.7 -55.7 -48.6 31.0 5.0 18.7 73 73 A A H X S+ 0 0 55 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.895 109.6 56.1 -59.1 -39.9 28.5 7.9 18.5 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.963 111.5 41.8 -58.3 -51.4 29.1 8.0 14.8 75 75 A V H X S+ 0 0 38 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.939 114.7 50.0 -59.6 -51.8 28.1 4.4 14.4 76 76 A R H < S+ 0 0 142 -4,-3.3 4,-0.2 -5,-0.2 -1,-0.2 0.852 111.3 50.4 -57.0 -37.8 25.1 4.6 16.8 77 77 A G H >< S+ 0 0 2 -4,-2.4 3,-2.1 -5,-0.3 -1,-0.2 0.956 108.9 48.5 -67.0 -53.5 23.8 7.6 15.0 78 78 A V H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 7,-0.2 0.892 105.7 60.8 -52.8 -42.3 23.9 6.2 11.5 79 79 A L T 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.577 111.2 39.0 -63.4 -12.2 22.2 3.1 12.7 80 80 A R T < S+ 0 0 174 -3,-2.1 2,-0.6 -4,-0.2 -1,-0.3 0.069 92.3 102.7-126.2 20.1 19.2 5.1 13.8 81 81 A N <> - 0 0 29 -3,-2.0 4,-3.1 1,-0.1 3,-0.3 -0.913 57.1-157.2-104.7 125.3 19.2 7.5 10.9 82 82 A A T 4 S+ 0 0 75 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.827 92.9 54.6 -72.2 -30.6 16.5 6.7 8.3 83 83 A K T 4 S+ 0 0 153 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.819 123.4 27.4 -71.2 -24.5 18.1 8.3 5.5 84 84 A L T > S+ 0 0 0 -3,-0.3 4,-2.8 -6,-0.2 5,-0.3 0.729 98.1 77.0-108.8 -30.2 21.3 6.3 6.2 85 85 A K H X S+ 0 0 72 -4,-3.1 4,-4.0 -7,-0.2 5,-0.3 0.930 95.4 50.1 -51.3 -52.4 20.6 2.9 7.8 86 86 A P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.948 113.3 45.1 -56.0 -49.5 19.3 1.2 4.7 87 87 A M H > S+ 0 0 2 -4,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.941 116.5 47.1 -63.2 -42.1 22.2 2.2 2.6 88 88 A Y H >< S+ 0 0 24 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.933 108.8 52.7 -66.9 -40.0 24.6 1.3 5.3 89 89 A D H 3< S+ 0 0 72 -4,-4.0 -1,-0.2 -5,-0.3 -2,-0.2 0.853 104.7 59.2 -61.7 -28.1 23.0 -2.0 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.668 94.7 88.0 -72.4 -17.6 23.4 -2.7 2.4 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.7 31,-0.0 -0.482 76.6-118.0 -89.0 161.8 27.2 -2.4 2.5 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.0 5,-0.1 -0.329 44.9 -95.8 -79.8 165.0 30.1 -4.7 3.2 93 93 A A H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.787 120.8 53.2 -57.2 -38.0 32.3 -3.8 6.3 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.959 112.7 42.6 -64.3 -56.2 35.0 -2.0 4.3 95 95 A R H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.881 108.6 60.2 -63.4 -32.0 32.6 0.3 2.7 96 96 A R H X S+ 0 0 80 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.932 102.0 53.9 -58.9 -41.6 30.7 0.8 5.9 97 97 A A H X S+ 0 0 10 -4,-1.7 4,-2.7 -3,-0.3 -1,-0.2 0.903 106.4 52.1 -55.6 -43.9 34.0 2.2 7.5 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.923 109.7 49.0 -59.3 -43.8 34.2 4.7 4.6 99 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.926 110.6 49.7 -62.6 -43.9 30.6 5.8 5.4 100 100 A I H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.916 108.1 55.6 -61.4 -40.3 31.4 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.958 106.6 49.0 -56.4 -51.6 34.5 8.2 8.2 102 102 A M H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.930 111.9 48.7 -56.9 -45.6 32.4 10.7 6.2 103 103 A V H X S+ 0 0 8 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.930 109.8 51.9 -62.2 -39.8 29.8 11.0 9.1 104 104 A F H < S+ 0 0 33 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.957 116.5 42.1 -58.5 -45.3 32.7 11.6 11.6 105 105 A Q H < S+ 0 0 53 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.888 135.7 10.6 -68.3 -44.3 34.0 14.3 9.3 106 106 A M H X S- 0 0 51 -4,-3.1 4,-0.7 -5,-0.2 -3,-0.2 0.518 99.7-116.0-120.9 -3.1 30.8 16.0 8.3 107 107 A G H X - 0 0 30 -4,-3.1 4,-2.5 -5,-0.4 5,-0.3 0.191 39.3 -73.4 84.5 156.2 28.0 14.7 10.5 108 108 A E H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.875 130.4 53.1 -55.4 -41.0 24.8 12.8 9.6 109 109 A T H > S+ 0 0 131 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.950 108.5 49.1 -59.7 -50.5 23.2 15.8 8.0 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.8 1,-0.2 4,-0.3 0.917 114.0 46.9 -54.4 -47.4 26.2 16.4 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.857 105.2 56.1 -67.2 -37.0 26.2 12.8 4.7 112 112 A A H >< S+ 0 0 21 -4,-2.8 3,-0.6 -5,-0.3 -1,-0.3 0.772 92.8 74.4 -67.7 -16.6 22.6 12.5 4.0 113 113 A G T << S+ 0 0 62 -4,-1.1 3,-0.3 -3,-0.8 -1,-0.2 0.718 81.3 73.5 -63.9 -19.3 23.1 15.4 1.6 114 114 A F T <> + 0 0 28 -3,-1.5 4,-3.2 -4,-0.3 5,-0.3 -0.111 59.4 145.0 -88.1 37.8 24.8 12.9 -0.6 115 115 A T H <> + 0 0 74 -3,-0.6 4,-2.2 -2,-0.2 -1,-0.2 0.842 68.3 46.1 -43.3 -51.5 21.5 11.3 -1.6 116 116 A N H > S+ 0 0 77 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.921 114.6 44.7 -65.7 -46.5 22.4 10.5 -5.1 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.942 112.5 53.8 -62.1 -44.9 25.7 9.1 -4.4 118 118 A L H X S+ 0 0 10 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.916 106.8 52.7 -54.9 -45.3 24.2 7.1 -1.5 119 119 A R H X S+ 0 0 104 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.927 107.2 49.6 -58.6 -44.2 21.6 5.7 -3.8 120 120 A Y H X>S+ 0 0 60 -4,-2.0 5,-3.0 1,-0.2 4,-0.7 0.931 111.2 52.2 -61.5 -38.4 24.3 4.5 -6.3 121 121 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.948 107.2 50.4 -60.2 -47.1 26.0 2.9 -3.4 122 122 A Q H 3<5S+ 0 0 95 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 112.2 48.6 -58.5 -31.3 22.8 1.2 -2.4 123 123 A Q H 3<5S- 0 0 93 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.556 112.4-124.9 -83.6 -11.4 22.6 -0.0 -5.9 124 124 A K T <<5 + 0 0 98 -3,-1.4 2,-1.3 -4,-0.7 -3,-0.2 0.820 60.0 149.0 67.5 32.7 26.2 -1.1 -5.8 125 125 A R >< + 0 0 94 -5,-3.0 4,-2.8 1,-0.2 5,-0.3 -0.661 22.4 178.5 -99.1 73.9 27.0 1.0 -8.8 126 126 A W H > S+ 0 0 51 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.858 70.4 42.5 -47.4 -53.8 30.5 1.6 -7.6 127 127 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 115.0 51.8 -68.7 -36.1 32.0 3.7 -10.3 128 128 A E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 109.6 47.9 -65.7 -42.7 28.9 5.8 -10.6 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.950 110.3 54.9 -59.7 -46.8 28.8 6.5 -7.0 130 130 A A H X S+ 0 0 9 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.902 108.8 46.1 -52.7 -47.4 32.5 7.4 -7.2 131 131 A V H < S+ 0 0 89 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.922 114.6 48.3 -62.7 -44.4 31.9 9.9 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.919 104.0 58.5 -65.9 -42.1 29.0 11.4 -8.1 133 133 A F H 3< S+ 0 0 0 -4,-3.5 6,-0.4 1,-0.3 -1,-0.2 0.893 99.7 60.2 -55.8 -37.0 30.7 11.8 -4.8 134 134 A A T 3< S+ 0 0 27 -4,-1.3 2,-1.7 -5,-0.3 -1,-0.3 0.680 83.5 81.4 -67.2 -16.8 33.4 13.9 -6.4 135 135 A K S < S+ 0 0 160 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.2 -0.572 80.5 100.5 -89.0 71.5 30.9 16.5 -7.4 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.999 83.8-120.8-154.7 153.6 30.8 18.1 -4.0 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.950 115.5 61.9 -57.0 -43.5 32.1 20.9 -1.9 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 8,-0.2 0.920 105.6 42.7 -46.3 -52.1 33.5 18.1 0.3 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.942 115.0 50.2 -65.5 -43.9 35.8 16.8 -2.5 140 140 A N H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.7 40.4 -59.5 -42.7 36.9 20.3 -3.6 141 141 A Q H < S+ 0 0 103 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.850 132.1 22.6 -76.5 -39.5 37.8 21.3 -0.1 142 142 A T S X S+ 0 0 19 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 -0.562 73.5 159.5-127.9 69.1 39.4 18.1 1.1 143 143 A P H > + 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.860 69.5 50.0 -61.6 -41.4 40.5 16.4 -2.1 144 144 A N H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.981 117.2 39.6 -64.2 -47.3 43.1 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 116.3 51.9 -62.2 -48.9 41.0 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.926 108.1 52.2 -56.0 -44.8 37.9 12.6 -0.3 147 147 A K H X S+ 0 0 95 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.900 107.9 51.8 -60.6 -38.1 39.7 10.7 -3.0 148 148 A R H X S+ 0 0 52 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.964 112.0 45.1 -62.7 -48.3 40.8 8.1 -0.5 149 149 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.929 111.3 54.0 -58.9 -43.4 37.2 7.5 0.8 150 150 A I H X S+ 0 0 17 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.912 106.1 52.8 -61.7 -40.2 36.0 7.4 -2.8 151 151 A T H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 6,-0.4 0.832 107.5 51.5 -65.4 -31.4 38.5 4.7 -3.7 152 152 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.906 111.1 47.7 -68.1 -43.7 37.3 2.7 -0.8 153 153 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 115.3 47.1 -64.8 -38.5 33.7 3.0 -2.0 154 154 A R H < S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.941 126.7 22.2 -66.3 -49.0 34.8 2.1 -5.4 155 155 A T H < S- 0 0 55 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.634 85.5-132.1 -94.6 -28.3 36.9 -0.9 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.8 2,-0.3 -5,-0.3 -62,-0.2 0.713 73.8 109.1 76.0 17.3 35.7 -2.2 -1.3 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.842 73.5-131.0-125.3 163.9 39.5 -2.4 -0.4 158 158 A W >> + 0 0 47 -2,-0.3 3,-2.4 1,-0.2 4,-0.9 0.282 69.5 118.3 -94.7 8.7 41.9 -0.5 2.0 159 159 A D G >4 + 0 0 88 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.841 67.9 59.7 -45.0 -43.5 44.5 -0.0 -0.7 160 160 A A G 34 S+ 0 0 30 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.712 112.4 39.2 -61.9 -16.3 44.3 3.7 -0.6 161 161 A Y G X4 S+ 0 0 2 -3,-2.4 3,-2.1 1,-0.1 -1,-0.3 0.549 85.6 113.9-107.8 -8.9 45.3 3.6 3.0 162 162 A K T << S+ 0 0 112 -3,-1.0 -2,-0.1 -4,-0.9 -1,-0.1 0.439 87.8 19.2 -43.2 -19.0 47.8 0.9 2.5 163 163 A N T 3 0 0 154 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 -0.062 360.0 360.0-152.1 47.1 50.8 2.9 3.3 164 164 A L < 0 0 135 -3,-2.1 -2,-0.1 0, 0.0 -3,-0.0 0.688 360.0 360.0-106.4 360.0 49.8 5.9 5.3