==== 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) 20-JUN-94 157L . 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) . 8560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 12 7.4 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.2 43.5 -1.8 8.9 2 2 A N > - 0 0 68 156,-0.0 4,-3.1 95,-0.0 5,-0.2 -0.945 360.0 -83.2-155.1 173.0 40.3 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.798 124.5 50.4 -49.6 -42.6 38.2 2.3 11.2 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 113.5 44.7 -67.9 -40.5 40.3 3.7 14.0 5 5 A E H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.920 111.5 54.9 -69.3 -38.0 43.5 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.902 112.1 41.1 -60.6 -47.1 41.9 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.837 107.8 60.4 -71.3 -32.6 40.8 7.9 10.9 8 8 A R H X S+ 0 0 100 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.904 109.2 45.6 -63.3 -33.1 43.9 8.3 12.8 9 9 A I H < S+ 0 0 86 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.932 115.7 44.3 -72.6 -44.1 45.7 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 126.8 30.4 -69.5 -33.1 43.1 11.0 8.0 11 11 A E H < S- 0 0 46 -4,-3.2 19,-0.4 -5,-0.1 -2,-0.2 0.749 91.2-153.6 -99.1 -25.5 43.0 13.2 11.1 12 12 A G < - 0 0 24 -4,-2.1 2,-0.4 -5,-0.4 -1,-0.1 -0.141 26.6 -85.2 76.7-177.2 46.4 12.9 12.8 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.995 42.3 172.3-136.9 126.4 46.9 13.5 16.5 14 14 A R E -A 28 0A 129 14,-1.3 14,-2.5 -2,-0.4 4,-0.1 -0.997 16.4-166.9-136.2 125.7 47.4 16.8 18.2 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.8 12,-0.2 2,-0.4 0.437 74.1 61.6 -95.6 -0.4 47.5 17.2 21.9 16 16 A K E S-C 57 0B 90 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.940 101.2 -85.8-129.0 141.7 47.1 20.9 21.9 17 17 A I E + 0 0 15 39,-1.8 2,-0.3 -2,-0.4 10,-0.2 -0.180 58.1 166.5 -42.7 132.5 44.2 23.0 20.5 18 18 A Y E -A 26 0A 28 8,-2.7 8,-2.8 -4,-0.1 2,-0.5 -0.888 37.7-100.8-145.5 173.1 44.6 23.7 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.886 33.3-139.7-103.2 130.9 42.6 24.9 13.9 20 20 A D > - 0 0 49 4,-2.6 3,-2.3 -2,-0.5 -1,-0.1 -0.082 42.7 -79.4 -77.1-179.1 41.2 22.4 11.5 21 21 A T T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.783 132.5 51.2 -56.6 -27.1 41.2 22.9 7.7 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.449 123.8-101.3 -87.3 -4.1 38.1 25.2 8.0 23 23 A G S < S+ 0 0 39 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.626 77.6 137.4 94.8 10.6 39.6 27.3 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.756 59.8-103.8 -99.6 147.1 37.8 25.7 13.6 25 25 A Y E +AB 19 34A 36 9,-0.6 8,-3.4 11,-0.4 9,-1.6 -0.362 52.0 158.7 -68.8 126.0 39.2 24.8 17.0 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-2.7 6,-0.3 2,-0.3 -0.876 19.4-166.6-136.7 167.8 39.8 21.1 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.1 -2,-0.3 2,-0.2 -0.987 51.8 6.6-153.8 161.6 41.9 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.3 -2,-0.3 2,-1.0 -0.502 123.1 -8.5 75.4-136.2 43.0 15.2 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.774 129.3 -51.3-104.9 75.7 42.1 13.1 16.5 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.752 83.7 160.9 64.1 32.7 39.9 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.1 -4,-1.7 1,-0.0 -1,-0.2 -0.680 32.8-142.3 -84.5 107.0 37.7 16.3 17.7 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.380 19.9-178.0 -66.4 131.5 35.9 19.6 16.9 33 33 A L E - 0 0 14 -8,-3.4 2,-0.3 1,-0.3 -7,-0.2 0.902 57.6 -25.1 -95.2 -48.6 35.5 21.8 19.9 34 34 A T E -B 25 0A 28 -9,-1.6 -9,-0.6 2,-0.1 -1,-0.3 -0.989 33.1-139.0-161.3 157.9 33.7 24.7 18.6 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.511 73.2 110.8 -98.6 -3.9 33.0 26.8 15.6 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.386 72.7-131.8 -70.3 147.7 33.3 30.0 17.6 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.490 77.0 101.9 -81.5 6.3 36.3 32.1 16.8 38 38 A S > - 0 0 44 1,-0.2 4,-1.9 -13,-0.0 5,-0.1 -0.786 60.0-156.0 -99.6 126.7 37.2 32.4 20.4 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-3.0 1,-0.3 5,-0.3 0.873 96.4 56.8 -65.5 -35.4 39.9 30.4 22.0 40 40 A N H > S+ 0 0 119 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.927 105.4 51.3 -64.5 -34.6 38.4 30.8 25.4 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.923 109.3 50.0 -65.1 -39.9 35.3 29.3 24.1 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.928 111.1 49.6 -61.4 -45.1 37.3 26.4 22.7 43 43 A K H X S+ 0 0 51 -4,-3.0 4,-2.7 1,-0.2 11,-0.2 0.896 107.7 53.4 -61.7 -38.5 39.0 25.9 26.0 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.928 110.4 47.3 -64.5 -38.7 35.9 26.0 27.9 45 45 A E H X S+ 0 0 65 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.930 109.5 53.5 -68.5 -42.5 34.5 23.3 25.7 46 46 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 5,-0.4 0.936 109.3 49.1 -58.4 -41.5 37.6 21.3 26.0 47 47 A D H X>S+ 0 0 36 -4,-2.7 4,-3.0 1,-0.2 5,-0.9 0.921 110.6 49.5 -62.1 -43.9 37.3 21.4 29.8 48 48 A K H <5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.6 48.1 -61.0 -40.5 33.8 20.4 29.8 49 49 A A H <5S+ 0 0 42 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.833 120.3 35.9 -70.6 -33.1 34.6 17.5 27.5 50 50 A I H <5S- 0 0 38 -4,-1.9 -2,-0.2 2,-0.3 -3,-0.2 0.735 102.1-126.1 -89.6 -35.9 37.6 16.2 29.5 51 51 A G T <5S+ 0 0 66 -4,-3.0 2,-0.3 1,-0.4 -3,-0.2 0.728 75.2 72.7 95.5 19.7 36.3 17.0 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-1.4 -11,-0.2 -1,-0.2 0.632 32.9-143.0 -93.7 -20.4 43.1 21.7 30.8 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.831 73.2 -64.2 59.5 20.9 44.8 24.8 29.8 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.8 -13,-0.2 2,-0.4 0.594 115.1 102.7 79.4 7.7 44.3 23.6 26.1 57 57 A V B < -C 16 0B 68 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.985 46.1-179.8-125.0 137.4 46.4 20.7 26.4 58 58 A I - 0 0 6 -43,-2.8 2,-0.2 -2,-0.4 -30,-0.1 -0.822 24.9-110.9-131.0 170.2 45.5 17.1 26.8 59 59 A T > - 0 0 63 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.536 30.1-109.2 -94.7 174.0 47.1 13.8 27.1 60 60 A K H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.929 119.5 51.9 -63.4 -47.8 47.2 11.0 24.7 61 61 A D H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.861 111.5 49.6 -54.3 -41.0 44.9 8.8 26.7 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 109.5 50.3 -66.4 -42.5 42.5 11.7 26.8 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -34,-0.4 0.913 110.5 51.6 -63.1 -39.8 42.7 12.3 23.1 64 64 A E H X S+ 0 0 79 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.822 106.6 52.6 -69.9 -27.9 42.0 8.6 22.6 65 65 A K H X S+ 0 0 134 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.912 108.2 49.5 -74.5 -38.5 39.0 8.6 24.8 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 110.5 53.7 -61.9 -35.9 37.4 11.4 22.9 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.939 106.9 48.5 -64.6 -48.5 38.2 9.5 19.7 68 68 A N H X S+ 0 0 88 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.919 112.3 49.5 -58.6 -41.7 36.4 6.3 20.8 69 69 A Q H X S+ 0 0 102 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.909 112.5 48.6 -62.8 -40.0 33.4 8.3 21.9 70 70 A D H X S+ 0 0 36 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.893 111.8 47.0 -69.9 -39.0 33.4 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.942 112.3 51.7 -66.4 -44.9 33.7 6.9 16.5 72 72 A D H X S+ 0 0 96 -4,-2.7 4,-3.1 -5,-0.3 -2,-0.2 0.936 111.4 47.7 -56.2 -42.1 31.0 5.3 18.5 73 73 A A H X S+ 0 0 56 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.882 107.2 53.4 -68.1 -40.8 28.8 8.2 17.9 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.961 112.6 47.9 -61.0 -44.1 29.4 8.4 14.2 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.951 113.4 46.3 -59.3 -49.7 28.3 4.6 14.1 76 76 A R H X S+ 0 0 156 -4,-3.1 4,-1.0 -5,-0.2 -1,-0.2 0.897 108.7 54.3 -65.3 -35.4 25.3 5.2 16.2 77 77 A G H >X S+ 0 0 1 -4,-2.7 3,-0.8 -5,-0.2 4,-0.5 0.955 108.9 50.5 -58.8 -46.2 24.2 8.3 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 7,-0.4 0.930 109.7 50.6 -56.3 -46.8 24.4 6.1 10.9 79 79 A L H 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.690 111.8 47.4 -71.2 -16.6 22.3 3.4 12.4 80 80 A R H << S+ 0 0 183 -4,-1.0 2,-0.5 -3,-0.8 -1,-0.3 0.428 91.6 92.7-100.2 -3.6 19.7 5.9 13.5 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 5,-0.2 0.817 101.7 69.8 -87.5 -33.6 22.1 6.1 6.1 85 85 A K H X S+ 0 0 82 -4,-2.5 4,-2.8 -7,-0.4 5,-0.2 0.876 98.0 46.0 -53.7 -52.3 21.2 2.9 7.8 86 86 A P H > S+ 0 0 75 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.836 113.0 51.9 -67.8 -28.7 20.1 0.8 4.9 87 87 A V H >> S+ 0 0 9 -4,-0.4 4,-0.9 -3,-0.2 3,-0.7 0.968 111.5 46.1 -67.4 -53.9 23.1 1.9 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.7 3,-1.4 1,-0.3 -3,-0.2 0.945 110.6 54.1 -51.5 -47.4 25.5 0.9 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.815 107.2 52.1 -58.3 -32.0 23.6 -2.4 6.1 90 90 A S H << S+ 0 0 44 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.620 96.7 90.3 -80.7 -11.2 24.1 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-1.4 2,-0.1 -4,-0.9 31,-0.0 -0.520 73.9-119.3 -90.0 157.4 27.8 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.281 44.7 -91.7 -78.8 169.2 30.7 -4.9 3.1 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.821 121.1 48.5 -57.0 -42.1 33.1 -4.2 6.0 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.6 1,-0.2 3,-0.2 0.951 112.9 47.4 -66.3 -45.7 35.6 -2.1 4.2 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.837 105.3 58.2 -65.4 -33.3 33.1 0.1 2.7 96 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.906 103.7 55.2 -61.7 -36.9 31.2 0.6 5.9 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 -3,-0.2 -2,-0.2 0.894 104.7 52.6 -59.9 -41.3 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.873 109.5 49.9 -60.0 -37.2 34.5 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.917 109.1 49.8 -68.6 -40.0 31.0 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.922 107.3 56.8 -65.2 -37.3 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.938 107.6 47.3 -57.6 -48.3 34.8 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-2.1 4,-3.2 1,-0.2 5,-0.4 0.923 112.9 47.9 -59.7 -44.2 32.6 10.4 5.9 103 103 A V H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 108.7 54.8 -64.7 -38.8 30.1 10.8 8.8 104 104 A F H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.3 39.4 -59.1 -40.9 32.9 11.4 11.3 105 105 A Q H < S+ 0 0 61 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.916 131.9 18.8 -76.6 -48.0 34.1 14.2 9.1 106 106 A M H X S- 0 0 56 -4,-3.2 4,-0.6 -5,-0.2 -3,-0.2 0.474 101.8-113.7-106.1 -7.4 30.9 15.8 7.9 107 107 A G H X - 0 0 31 -4,-2.4 4,-2.1 -5,-0.4 5,-0.2 0.104 35.6 -84.5 84.1 151.8 28.2 14.8 10.3 108 108 A E H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.810 124.6 56.7 -69.1 -31.5 25.5 12.6 9.3 109 109 A T H > S+ 0 0 118 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.907 107.8 51.8 -64.7 -40.9 23.2 15.3 7.9 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.940 114.0 41.4 -64.4 -45.1 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.899 105.6 62.7 -69.7 -35.8 26.4 12.7 4.3 112 112 A A H 3< S+ 0 0 15 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.755 93.5 70.8 -60.5 -16.1 22.7 11.9 4.2 113 113 A G T << S+ 0 0 55 -4,-0.7 2,-2.2 -3,-0.7 3,-0.3 0.641 71.2 86.0 -73.6 -18.0 22.6 14.7 1.6 114 114 A F <> + 0 0 39 -3,-2.2 4,-2.6 1,-0.2 5,-0.3 -0.413 53.5 163.5 -85.2 63.9 24.5 12.8 -1.1 115 115 A A H > + 0 0 68 -2,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.899 69.4 45.9 -48.6 -52.4 21.4 11.3 -2.3 116 116 A A H > S+ 0 0 55 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.881 112.6 46.6 -63.7 -44.7 22.8 10.2 -5.5 117 117 A A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.904 111.7 54.0 -66.5 -36.5 26.0 8.7 -4.3 118 118 A L H X S+ 0 0 11 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.881 108.2 48.8 -63.6 -40.3 24.1 6.8 -1.6 119 119 A A H X S+ 0 0 63 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.907 112.3 48.4 -66.3 -38.8 21.7 5.3 -4.1 120 120 A A H <>S+ 0 0 9 -4,-1.8 5,-2.5 2,-0.2 4,-0.4 0.924 110.7 51.5 -65.7 -43.1 24.7 4.2 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.925 109.7 48.9 -62.5 -43.8 26.4 2.8 -3.3 122 122 A A H 3<5S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.894 112.1 48.6 -65.9 -31.6 23.3 0.8 -2.3 123 123 A A T 3<5S- 0 0 51 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.457 114.2-120.1 -85.5 2.4 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 100 -3,-1.3 2,-1.1 -4,-0.4 -3,-0.2 0.793 63.5 144.7 66.0 33.0 26.6 -1.4 -5.9 125 125 A R >< + 0 0 139 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.732 22.4 176.3-102.7 78.5 27.6 0.8 -8.8 126 126 A W H > S+ 0 0 50 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.865 72.0 46.8 -54.9 -46.7 31.0 1.6 -7.4 127 127 A D H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 112.1 50.4 -70.0 -34.9 32.3 3.7 -10.2 128 128 A E H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 111.1 49.7 -65.7 -41.7 29.1 5.7 -10.5 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.938 110.4 52.4 -58.9 -44.0 29.2 6.4 -6.8 130 130 A A H X S+ 0 0 9 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.897 108.6 47.8 -63.2 -41.1 32.8 7.5 -7.1 131 131 A V H < S+ 0 0 89 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.891 113.6 47.3 -69.7 -37.6 32.3 9.9 -9.8 132 132 A N H >< S+ 0 0 53 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.895 106.5 57.1 -66.3 -42.5 29.4 11.5 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.3 1,-0.3 -1,-0.2 0.866 101.0 59.5 -54.6 -37.5 31.2 11.7 -4.8 134 134 A A T 3< S+ 0 0 29 -4,-1.5 2,-1.6 -5,-0.2 -1,-0.3 0.675 85.7 78.7 -70.3 -15.9 33.9 13.7 -6.5 135 135 A K S < S+ 0 0 163 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.578 81.2 96.1 -89.8 75.0 31.6 16.4 -7.6 136 136 A S S > S- 0 0 20 -2,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.997 84.0-115.7-159.4 155.9 31.4 18.1 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.902 116.1 62.5 -59.7 -37.4 32.8 20.8 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 105.7 43.2 -52.4 -50.1 34.1 18.1 0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.9 49.1 -66.5 -41.1 36.3 16.7 -2.6 140 140 A N H < S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 115.0 44.1 -70.1 -29.6 37.5 20.2 -3.8 141 141 A Q H < S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 130.5 18.6 -82.8 -38.3 38.4 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 -0.602 75.0 163.0-130.6 71.5 40.2 18.2 1.1 143 143 A P H > + 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.835 68.2 52.6 -63.0 -40.0 41.0 16.4 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.924 115.0 42.1 -66.5 -41.7 43.7 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 114.9 51.3 -67.4 -46.2 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.925 108.6 51.1 -55.2 -47.6 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 105 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.870 107.9 54.0 -60.5 -38.2 40.3 10.5 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.932 113.5 41.2 -62.0 -44.1 41.4 8.1 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.897 113.5 52.3 -71.7 -39.3 37.8 7.5 0.9 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.904 108.6 51.5 -62.7 -39.3 36.4 7.4 -2.6 151 151 A T H X S+ 0 0 33 -4,-2.1 4,-2.9 -5,-0.3 5,-0.4 0.890 106.3 54.0 -63.2 -38.8 39.0 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.915 111.9 45.4 -62.1 -42.4 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 114.6 48.3 -66.6 -40.1 34.4 2.8 -1.9 154 154 A R H < S+ 0 0 96 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 125.4 25.6 -66.0 -46.8 35.4 2.1 -5.4 155 155 A T H < S- 0 0 49 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.719 85.5-136.0 -92.7 -31.9 37.6 -0.9 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.4 -62,-0.2 0.680 73.0 99.3 81.1 14.3 36.5 -2.3 -1.4 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.756 80.5-119.4-127.8 171.8 40.1 -2.6 -0.3 158 158 A W S >> S+ 0 0 40 -2,-0.2 3,-2.6 1,-0.2 4,-0.7 0.209 71.7 121.2 -96.0 14.1 42.4 -0.6 2.0 159 159 A D G >4 + 0 0 96 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.811 66.2 59.3 -49.4 -39.2 44.9 0.1 -0.8 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.650 109.5 46.7 -68.0 -11.6 44.7 3.8 -0.5 161 161 A Y G <4 0 0 19 -3,-2.6 -1,-0.3 -13,-0.1 -2,-0.2 0.546 360.0 360.0-107.4 -6.9 45.8 3.6 3.0 162 162 A K << 0 0 178 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.1 0.885 360.0 360.0 -91.3 360.0 48.7 1.2 2.7