==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 28-MAY-93 125L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8646.0 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 . 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 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 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 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.1 43.4 -1.8 9.3 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.1 -0.879 360.0 -79.6-151.7 177.9 40.2 -0.7 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.814 125.6 51.5 -54.7 -39.8 38.0 2.4 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.951 113.2 42.3 -65.6 -50.6 40.2 3.7 14.2 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.881 115.0 53.3 -64.6 -36.9 43.4 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.3 0.971 112.6 41.4 -62.6 -54.7 41.8 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.4 0.850 109.9 59.7 -62.6 -34.1 40.4 7.9 11.0 8 8 A R H X S+ 0 0 104 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.901 108.3 45.1 -62.2 -33.8 43.7 8.3 12.9 9 9 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.933 117.0 44.6 -72.4 -44.3 45.6 8.6 9.5 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.863 124.8 31.9 -67.6 -38.1 43.0 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.9 19,-0.3 -5,-0.2 -1,-0.2 0.737 89.5-154.6 -94.8 -27.4 42.7 13.2 11.2 12 12 A G < - 0 0 24 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.248 26.8 -91.1 76.3-171.5 46.2 13.1 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.957 41.1 174.6-143.4 123.5 46.5 13.7 16.5 14 14 A R E -A 28 0A 140 14,-1.7 14,-2.5 -2,-0.4 4,-0.1 -0.999 17.9-163.1-132.1 133.4 47.1 17.0 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-1.8 12,-0.2 2,-0.3 0.408 74.4 64.5 -94.9 0.6 47.2 17.5 21.9 16 16 A K E S-C 57 0B 152 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.950 101.1 -87.6-124.4 142.3 46.7 21.3 21.8 17 17 A I E + 0 0 21 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.193 58.9 169.9 -45.5 137.5 43.7 23.2 20.4 18 18 A Y E -A 26 0A 25 8,-2.6 8,-2.6 -4,-0.1 2,-0.4 -0.899 36.5-103.8-144.2 169.8 44.1 23.8 16.7 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.851 34.0-138.2-101.4 135.7 42.1 25.0 13.8 20 20 A D > - 0 0 48 4,-2.9 3,-1.7 -2,-0.4 -1,-0.1 -0.044 42.1 -79.4 -76.1-172.4 40.8 22.4 11.3 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.782 134.5 49.5 -61.4 -24.3 40.7 22.7 7.5 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.397 123.9-103.0 -93.4 1.1 37.6 24.9 7.8 23 23 A G S < S+ 0 0 38 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.584 75.2 141.8 87.5 13.8 39.2 27.2 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.761 59.5-104.4 -97.0 142.8 37.3 25.6 13.4 25 25 A Y E +AB 19 34A 32 9,-0.5 8,-2.9 11,-0.4 9,-1.3 -0.344 54.1 158.8 -60.7 122.9 38.7 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-2.6 -8,-2.6 6,-0.3 2,-0.3 -0.877 19.1-167.0-141.9 165.4 39.4 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 2,-0.2 -0.984 50.7 4.6-152.3 165.2 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.7 -2,-0.3 2,-1.0 -0.414 123.3 -7.0 66.8-131.5 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.666 128.1 -51.5-100.7 74.9 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-0.9 -19,-0.3 -2,-0.2 0.780 83.4 159.9 72.0 23.1 39.5 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.7 1,-0.0 -1,-0.2 -0.690 33.7-141.9 -85.5 107.3 37.3 16.3 17.7 32 32 A L E -B 26 0A 71 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.423 19.8-177.4 -67.5 130.6 35.4 19.5 16.8 33 33 A L E - 0 0 16 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.890 58.2 -29.1 -93.2 -49.6 35.1 21.8 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.979 35.5-135.3-163.9 156.9 33.0 24.7 18.4 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.415 74.7 110.9 -97.7 0.2 32.3 26.7 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.482 72.7-132.9 -78.4 145.2 32.6 29.8 17.1 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.671 76.2 106.9 -66.3 -19.5 35.6 32.1 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-1.6 2,-0.1 -2,-0.1 -0.559 55.8-162.1 -73.5 120.7 36.2 32.5 20.1 39 39 A L H > S+ 0 0 75 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.788 96.0 54.1 -66.6 -27.3 39.2 30.6 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 103.5 53.5 -76.8 -33.4 37.6 31.0 25.0 41 41 A A H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.898 110.6 49.0 -65.0 -34.7 34.5 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.903 109.7 50.0 -70.6 -40.8 36.6 26.5 22.6 43 43 A K H X S+ 0 0 58 -4,-2.1 4,-2.3 2,-0.2 11,-0.2 0.902 110.7 51.4 -65.7 -34.9 38.6 26.1 25.9 44 44 A S H X S+ 0 0 73 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.933 111.0 46.2 -66.3 -43.7 35.2 26.1 27.7 45 45 A E H X S+ 0 0 68 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.896 112.4 53.3 -64.7 -40.1 33.9 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.922 108.2 46.6 -61.8 -47.8 37.1 21.5 25.9 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 5,-1.1 0.892 112.9 51.7 -63.6 -35.0 37.0 21.5 29.7 48 48 A K H <5S+ 0 0 143 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.872 111.0 46.6 -68.5 -38.4 33.4 20.5 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 120.3 39.4 -72.2 -36.5 34.2 17.5 27.3 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.751 100.6-127.6 -84.3 -33.1 37.2 16.4 29.4 51 51 A G T <5S+ 0 0 72 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.776 77.5 70.6 87.1 25.2 35.8 17.0 32.9 52 52 A R S - 0 0 9 -2,-0.9 3,-1.8 -11,-0.2 -1,-0.2 0.614 34.0-143.2 -95.7 -16.3 42.7 21.8 30.8 55 55 A N T 3 S- 0 0 119 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.880 76.3 -55.6 51.7 37.9 43.9 25.2 29.8 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.481 117.7 98.5 77.0 5.0 43.7 24.0 26.1 57 57 A V B < -C 16 0B 73 -3,-1.8 2,-0.3 -41,-0.2 -41,-0.2 -0.978 44.5-179.5-128.8 142.6 45.9 20.9 26.4 58 58 A I - 0 0 4 -43,-1.8 2,-0.2 -2,-0.4 -30,-0.1 -0.820 26.0-110.6-130.7 168.1 45.0 17.2 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.558 34.2-104.1 -96.0 168.2 46.9 14.0 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 122.0 52.1 -56.0 -42.9 47.1 11.1 24.6 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 109.1 49.5 -61.6 -44.0 44.6 9.0 26.8 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 110.6 50.3 -64.1 -41.3 42.1 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -34,-0.4 0.927 111.1 49.5 -62.3 -43.7 42.4 12.3 23.1 64 64 A E H X S+ 0 0 72 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.848 107.2 55.1 -66.2 -29.6 41.8 8.6 22.6 65 65 A K H X S+ 0 0 134 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.948 109.1 45.3 -68.2 -46.7 38.8 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.905 112.5 55.2 -60.0 -38.4 37.1 11.5 22.8 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.940 105.8 48.6 -62.0 -51.7 38.0 9.5 19.8 68 68 A N H X S+ 0 0 86 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.905 113.4 49.3 -56.2 -41.0 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.922 110.6 49.1 -64.3 -44.3 33.2 8.4 21.8 70 70 A D H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.860 111.2 48.3 -63.9 -39.4 33.1 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.966 113.4 49.0 -64.7 -48.9 33.5 6.8 16.5 72 72 A D H X S+ 0 0 86 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.930 112.7 47.8 -53.4 -48.3 30.7 5.3 18.6 73 73 A A H X S+ 0 0 45 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.904 108.6 53.3 -63.7 -38.6 28.5 8.3 18.0 74 74 A A H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.973 112.7 45.0 -61.7 -49.0 29.2 8.3 14.3 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.951 113.7 48.5 -57.0 -51.5 28.1 4.6 14.1 76 76 A R H X S+ 0 0 112 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.907 110.1 52.4 -59.3 -38.0 25.0 5.1 16.3 77 77 A G H X S+ 0 0 4 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.866 108.8 50.0 -66.2 -37.2 24.0 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-0.7 -3,-0.2 7,-0.4 0.923 111.5 49.3 -63.1 -45.6 24.2 6.1 11.0 79 79 A L H 3< S+ 0 0 67 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.756 112.6 47.1 -69.1 -22.0 22.0 3.4 12.5 80 80 A R H 3< S+ 0 0 175 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.580 93.3 93.1 -91.3 -15.5 19.5 5.9 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 5,-0.2 0.836 102.7 67.7 -88.4 -38.4 22.0 6.1 6.0 85 85 A K H X S+ 0 0 80 -4,-2.5 4,-2.6 -7,-0.4 5,-0.2 0.894 98.7 49.4 -52.8 -47.6 21.1 2.9 7.8 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.884 112.8 49.6 -64.4 -33.3 19.9 1.0 4.7 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-1.1 -3,-0.2 3,-0.3 0.970 111.8 46.7 -64.5 -54.4 23.1 1.9 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.907 110.3 54.0 -51.6 -47.6 25.3 0.9 5.7 89 89 A D H 3< S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 107.8 52.4 -60.1 -33.6 23.4 -2.5 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.704 96.1 86.6 -75.5 -23.8 24.0 -3.1 2.4 91 91 A L S << S- 0 0 5 -4,-1.1 2,-0.0 -3,-0.8 31,-0.0 -0.431 75.1-117.6 -82.5 157.6 27.8 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.189 45.4 -90.4 -77.7 174.1 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.886 122.9 48.9 -61.1 -41.9 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.931 112.8 46.1 -63.8 -49.3 35.5 -2.3 4.4 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.811 104.8 62.1 -67.9 -27.4 33.0 0.0 2.7 96 96 A R H X S+ 0 0 79 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.901 99.6 55.6 -62.4 -38.0 31.1 0.5 5.9 97 97 A A H X S+ 0 0 5 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.872 103.8 55.5 -60.8 -35.7 34.3 2.0 7.3 98 98 A S H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.895 107.1 48.0 -64.1 -41.3 34.2 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.872 110.2 51.7 -68.5 -35.7 30.8 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.931 107.1 54.5 -65.4 -41.5 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.940 108.5 47.9 -57.3 -49.3 34.7 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.921 112.9 48.2 -59.5 -42.6 32.4 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.936 109.5 52.9 -65.2 -38.1 29.9 10.8 8.8 104 104 A F H < S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.8 41.6 -62.3 -37.9 32.7 11.5 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.928 132.4 14.7 -76.7 -51.6 34.0 14.3 9.1 106 106 A M H X S- 0 0 56 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.399 103.8-110.5-114.3 6.9 30.9 16.0 8.0 107 107 A G H X - 0 0 33 -4,-2.4 4,-2.0 -5,-0.3 5,-0.2 0.167 34.4 -80.4 82.2 154.4 28.1 14.9 10.2 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.825 126.6 52.7 -59.3 -41.1 25.1 12.7 9.5 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.925 108.9 49.3 -64.7 -45.8 23.1 15.4 7.9 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.6 2,-0.2 4,-0.2 0.914 114.6 43.6 -60.8 -48.0 25.8 16.3 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.8 1,-0.2 -1,-0.2 0.916 106.8 59.7 -65.4 -43.0 26.3 12.8 4.4 112 112 A A H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.752 95.6 68.0 -58.2 -19.3 22.6 12.1 4.2 113 113 A G T << S+ 0 0 51 -4,-0.8 2,-1.7 -3,-0.6 -1,-0.3 0.635 74.3 86.5 -74.4 -13.9 22.6 14.9 1.7 114 114 A F <> + 0 0 42 -3,-2.8 4,-2.4 1,-0.2 3,-0.3 -0.277 56.7 160.7 -85.1 55.2 24.6 12.8 -0.9 115 115 A T H > + 0 0 92 -2,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.812 66.2 41.4 -42.8 -57.4 21.4 11.4 -2.2 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.856 114.1 51.4 -67.4 -38.7 22.5 10.1 -5.6 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.887 108.8 52.0 -66.1 -38.5 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.879 109.1 50.1 -65.2 -39.5 24.0 6.7 -1.5 119 119 A R H X S+ 0 0 117 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.919 111.2 49.6 -65.9 -39.6 21.7 5.3 -4.1 120 120 A M H <>S+ 0 0 24 -4,-2.0 5,-2.2 2,-0.2 4,-0.2 0.904 110.7 48.4 -66.8 -43.8 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.6 3,-2.1 1,-0.2 -1,-0.2 0.938 109.0 53.4 -62.4 -43.9 26.5 2.6 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.874 109.4 49.5 -59.9 -30.5 23.4 0.7 -2.3 123 123 A Q T 3<5S- 0 0 85 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.433 113.8-120.7 -85.0 -2.0 23.1 -0.6 -5.8 124 124 A K T < 5 + 0 0 97 -3,-2.1 2,-1.2 -4,-0.2 -3,-0.2 0.731 63.4 145.4 66.2 30.8 26.7 -1.6 -5.8 125 125 A R >< + 0 0 113 -5,-2.2 4,-2.5 1,-0.2 -1,-0.2 -0.710 20.0 171.4 -97.6 73.7 27.6 0.6 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.873 68.9 47.9 -57.1 -49.9 31.1 1.4 -7.4 127 127 A D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 115.2 46.4 -61.4 -43.0 32.6 3.2 -10.3 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.893 111.1 51.3 -66.2 -38.9 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.912 107.8 53.7 -62.6 -42.2 29.4 6.2 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.880 109.8 47.7 -59.7 -41.1 33.1 7.2 -7.1 131 131 A V H < S+ 0 0 89 -4,-1.9 4,-0.5 1,-0.2 3,-0.2 0.917 114.2 45.7 -67.3 -44.5 32.5 9.6 -9.9 132 132 A N H >< S+ 0 0 40 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.891 107.9 56.8 -68.1 -37.2 29.4 11.1 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.851 101.7 58.6 -60.4 -35.5 31.1 11.5 -4.8 134 134 A A T 3< S+ 0 0 26 -4,-1.2 2,-1.8 -3,-0.2 -1,-0.2 0.620 85.7 78.8 -69.7 -19.2 33.9 13.5 -6.4 135 135 A K S < S+ 0 0 157 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.554 81.6 98.9 -87.4 70.9 31.5 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.997 85.1-117.8-153.5 155.8 31.3 17.8 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.910 115.5 62.4 -58.4 -41.1 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.923 106.2 43.0 -49.0 -49.5 34.0 17.8 0.1 139 139 A Y H 4 S+ 0 0 56 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.3 48.6 -67.6 -42.1 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.851 115.5 43.4 -70.7 -29.0 37.3 19.9 -3.8 141 141 A Q H < S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.865 130.9 20.2 -84.1 -39.4 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 -0.552 73.5 162.3-130.0 71.5 40.0 18.1 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.841 69.5 51.9 -60.2 -43.9 40.9 16.2 -2.2 144 144 A N H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.918 116.2 40.4 -63.8 -44.0 43.6 13.8 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 115.1 52.2 -68.3 -42.1 41.4 12.6 2.1 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.948 108.1 52.0 -60.2 -45.4 38.3 12.4 -0.2 147 147 A K H X S+ 0 0 91 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.854 107.9 51.6 -59.1 -39.6 40.3 10.3 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.928 114.2 43.2 -64.5 -42.9 41.3 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.914 115.1 48.9 -66.1 -46.2 37.7 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.897 109.8 51.7 -62.4 -41.9 36.4 7.2 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.5 -5,-0.2 6,-0.3 0.897 108.0 52.9 -64.2 -34.8 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.881 110.0 47.8 -65.8 -38.7 38.0 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 114.6 47.0 -67.1 -41.0 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.869 125.0 26.4 -68.3 -42.8 35.3 1.8 -5.3 155 155 A T H < S- 0 0 45 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.711 85.5-136.8 -99.4 -23.0 37.6 -1.2 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.0 2,-0.3 -5,-0.3 -62,-0.2 0.775 72.6 101.5 69.8 24.4 36.4 -2.5 -1.1 157 157 A T S S- 0 0 46 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.873 79.7-120.9-132.1 172.0 40.0 -2.8 -0.0 158 158 A W S >> S+ 0 0 45 -2,-0.3 3,-2.1 1,-0.2 4,-0.8 0.160 71.1 121.2 -98.2 16.0 42.4 -0.8 2.2 159 159 A D G >4 + 0 0 95 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.880 67.4 58.3 -49.7 -40.0 44.9 -0.2 -0.5 160 160 A A G 34 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.659 109.1 47.6 -65.9 -16.4 44.6 3.7 -0.3 161 161 A Y G <4 0 0 19 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.447 360.0 360.0-104.2 -5.1 45.6 3.5 3.3 162 162 A K << 0 0 174 -3,-1.2 -2,-0.2 -4,-0.8 -3,-0.1 0.818 360.0 360.0-102.6 360.0 48.6 1.1 2.9