==== 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) 17-DEC-92 114L . 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) . 8614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.2 43.7 -1.8 9.1 2 2 A N > - 0 0 67 156,-0.0 4,-2.6 95,-0.0 3,-0.2 -0.903 360.0 -80.1-152.4 177.3 40.4 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.825 125.5 51.0 -53.5 -41.7 38.2 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 113.4 42.8 -64.0 -49.5 40.4 3.7 14.1 5 5 A E H > S+ 0 0 94 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.873 114.3 53.4 -65.7 -37.0 43.7 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.958 112.8 41.1 -61.7 -53.3 42.0 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.4 0.809 110.0 59.4 -67.7 -27.4 40.7 7.9 10.9 8 8 A R H X S+ 0 0 101 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.899 107.7 46.1 -67.8 -34.0 44.0 8.3 12.8 9 9 A I H < S+ 0 0 84 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.929 116.7 44.9 -70.0 -43.9 45.8 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.842 125.2 29.4 -70.0 -36.1 43.2 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.4 19,-0.4 -5,-0.2 -1,-0.2 0.689 91.7-154.5 -98.5 -25.6 42.9 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.144 27.2 -84.4 73.1-172.1 46.4 13.0 12.7 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.979 43.5 173.1-135.6 127.3 46.8 13.6 16.4 14 14 A R E -A 28 0A 141 14,-1.6 14,-2.6 -2,-0.4 4,-0.1 -0.997 17.7-164.6-134.9 130.3 47.3 17.0 18.1 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.368 73.8 60.2 -95.2 1.4 47.4 17.6 21.9 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.916 102.4 -84.7-124.0 150.6 46.9 21.4 21.9 17 17 A I E + 0 0 31 39,-1.3 2,-0.3 -2,-0.3 10,-0.2 -0.283 59.0 170.8 -52.2 136.1 43.9 23.3 20.5 18 18 A Y E -A 26 0A 27 8,-2.8 8,-2.8 -4,-0.1 2,-0.4 -0.894 35.3-104.2-140.9 170.3 44.3 23.8 16.7 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.853 33.4-138.3-100.6 134.6 42.3 25.0 13.8 20 20 A D > - 0 0 50 4,-3.1 3,-1.5 -2,-0.4 -1,-0.1 0.005 41.9 -78.6 -75.3-169.4 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 134.5 48.9 -65.2 -23.5 40.9 22.8 7.5 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.348 124.5-102.8 -95.7 1.2 37.7 25.1 7.9 23 23 A G S < S+ 0 0 37 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.593 74.5 143.1 86.5 14.3 39.3 27.2 10.5 24 24 A Y - 0 0 78 1,-0.1 -4,-3.1 -5,-0.0 -1,-0.3 -0.676 58.6-103.4 -92.1 146.8 37.5 25.6 13.5 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-2.9 11,-0.4 9,-1.4 -0.446 54.4 159.2 -64.3 126.4 38.9 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.8 6,-0.3 2,-0.3 -0.876 19.6-168.1-141.8 166.2 39.7 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.8 -2,-0.3 2,-0.2 -0.980 51.6 2.9-153.3 162.2 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.6 -2,-0.3 2,-0.9 -0.417 122.6 -5.4 69.1-129.8 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.679 127.8 -52.7-102.6 75.5 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.773 84.0 160.0 67.7 26.8 39.7 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-1.8 -4,-1.5 1,-0.0 -1,-0.2 -0.676 32.9-143.5 -85.7 104.5 37.5 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.431 19.2-177.3 -68.9 130.4 35.7 19.5 16.8 33 33 A L E - 0 0 16 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.899 58.0 -25.8 -92.6 -51.0 35.3 21.8 19.8 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.976 34.6-138.3-161.5 155.5 33.3 24.7 18.5 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.448 73.6 113.3 -94.1 -5.5 32.5 26.7 15.4 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.400 72.0-132.6 -71.9 145.8 32.8 29.8 17.3 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.633 76.8 103.7 -70.3 -11.5 35.7 32.2 16.6 38 38 A S > - 0 0 48 1,-0.2 4,-1.8 2,-0.1 3,-0.3 -0.621 57.7-159.8 -83.6 122.7 36.4 32.5 20.2 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.2 1,-0.3 5,-0.2 0.817 97.3 55.6 -63.5 -27.2 39.4 30.7 21.6 40 40 A N H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.891 102.2 52.0 -74.8 -36.4 37.8 31.0 25.0 41 41 A A H > S+ 0 0 35 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.867 110.2 52.8 -64.0 -32.2 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.912 108.5 47.6 -66.4 -45.3 36.9 26.5 22.7 43 43 A K H X S+ 0 0 57 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.896 110.8 53.5 -66.8 -33.7 38.8 26.1 26.1 44 44 A T H X S+ 0 0 92 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.960 111.0 44.3 -64.1 -45.2 35.4 26.1 27.8 45 45 A E H X S+ 0 0 67 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.909 113.2 53.5 -65.3 -42.1 34.1 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.931 109.1 46.2 -59.5 -46.7 37.4 21.4 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.5 4,-2.6 1,-0.2 5,-0.9 0.916 113.5 50.0 -64.2 -40.3 37.3 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.882 111.2 49.1 -66.1 -35.8 33.7 20.5 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.885 119.8 36.6 -71.8 -34.0 34.5 17.6 27.4 50 50 A I H <5S- 0 0 37 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.716 102.0-126.3 -89.8 -27.4 37.5 16.3 29.6 51 51 A G T <5S+ 0 0 70 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.767 77.6 75.0 85.8 23.2 36.1 17.0 33.0 52 52 A R S - 0 0 10 -2,-0.9 3,-1.4 -11,-0.2 -1,-0.2 0.675 33.2-143.7 -97.0 -23.6 42.9 21.9 30.9 55 55 A N T 3 S- 0 0 118 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.863 75.4 -58.3 57.8 34.7 44.1 25.2 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.3 1,-0.2 2,-0.4 0.526 115.8 100.6 76.8 6.4 43.9 23.9 26.2 57 57 A V B < +C 16 0B 64 -3,-1.4 2,-0.2 -41,-0.2 -41,-0.2 -0.979 44.1 179.3-127.4 140.1 46.2 21.0 26.5 58 58 A I - 0 0 5 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.785 26.0-110.5-127.7 170.1 45.3 17.3 26.9 59 59 A T > - 0 0 66 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.550 33.4-105.5 -95.3 169.0 47.1 14.0 27.2 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 122.1 51.9 -61.5 -42.0 47.3 11.2 24.7 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.855 109.1 50.6 -60.0 -41.8 44.9 9.0 26.8 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.892 110.5 50.2 -64.3 -41.1 42.4 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -34,-0.4 0.915 111.3 48.1 -62.1 -44.9 42.6 12.3 23.1 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.820 107.8 55.1 -68.6 -28.6 42.0 8.6 22.6 65 65 A K H X S+ 0 0 135 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.940 108.9 46.7 -70.5 -41.1 39.1 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.908 112.4 53.5 -62.3 -35.8 37.4 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.934 106.0 50.4 -65.8 -47.7 38.2 9.5 19.8 68 68 A N H X S+ 0 0 86 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.913 113.1 47.0 -58.1 -40.2 36.6 6.3 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.915 111.7 50.0 -67.8 -39.3 33.5 8.3 21.9 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.869 110.9 48.4 -68.9 -35.8 33.4 10.1 18.6 71 71 A V H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.953 113.1 49.0 -67.1 -46.1 33.7 6.8 16.6 72 72 A D H X S+ 0 0 89 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.937 111.5 49.5 -57.1 -45.8 31.0 5.2 18.7 73 73 A A H X S+ 0 0 42 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.910 108.9 51.6 -62.1 -42.1 28.8 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.954 111.6 47.0 -60.4 -49.6 29.3 8.2 14.3 75 75 A V H X S+ 0 0 32 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.958 114.1 47.8 -55.0 -49.8 28.4 4.5 14.1 76 76 A R H X S+ 0 0 115 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.892 109.9 52.6 -60.8 -37.5 25.2 5.1 16.3 77 77 A G H X S+ 0 0 3 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.904 109.4 49.2 -66.3 -38.1 24.2 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 -5,-0.2 7,-0.5 0.965 111.2 50.1 -62.1 -48.2 24.4 6.0 11.1 79 79 A L H 3< S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.765 113.6 45.2 -65.7 -23.7 22.3 3.3 12.7 80 80 A R H 3< S+ 0 0 173 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.536 91.8 95.5 -93.2 -13.8 19.7 5.7 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.4 0.864 102.4 66.9 -84.3 -42.7 22.1 6.0 6.3 85 85 A K H X S+ 0 0 79 -4,-2.8 4,-2.7 -7,-0.5 5,-0.2 0.882 99.7 49.0 -49.1 -48.6 21.2 2.8 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.877 112.5 49.4 -64.7 -34.3 20.0 1.0 4.8 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-1.0 -3,-0.4 3,-0.2 0.956 111.9 47.8 -65.8 -50.7 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 36 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.908 109.8 52.7 -53.2 -48.3 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.2 53.7 -60.0 -32.0 23.5 -2.6 6.1 90 90 A S H 3< S+ 0 0 34 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.714 95.7 85.5 -76.4 -24.2 24.0 -3.1 2.4 91 91 A L S << S- 0 0 5 -4,-1.0 2,-0.0 -3,-0.8 31,-0.0 -0.433 75.1-116.3 -85.2 160.4 27.8 -2.7 2.4 92 92 A D > - 0 0 55 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.241 45.9 -90.2 -78.5 171.6 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.865 123.4 47.8 -53.7 -46.1 33.2 -4.4 6.1 94 94 A V H > S+ 0 0 24 1,-0.2 4,-1.2 62,-0.2 3,-0.3 0.919 112.8 46.7 -62.9 -49.8 35.7 -2.2 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.784 104.7 61.8 -65.3 -29.7 33.1 0.1 2.7 96 96 A R H X S+ 0 0 80 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.915 101.4 54.3 -59.7 -41.7 31.3 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.863 104.9 53.9 -58.3 -40.1 34.5 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.863 108.0 48.4 -65.0 -39.5 34.4 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.896 110.1 52.0 -69.0 -36.3 31.0 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.950 107.3 53.9 -61.9 -42.9 31.9 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 109.2 47.1 -57.6 -46.4 34.8 8.1 8.0 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.891 112.7 49.5 -63.1 -42.4 32.6 10.5 6.0 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.903 109.0 52.8 -64.8 -36.8 30.1 10.7 8.9 104 104 A F H < S+ 0 0 30 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.920 116.2 40.4 -63.7 -41.2 32.9 11.4 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.922 132.2 17.4 -75.7 -48.6 34.1 14.2 9.2 106 106 A M H X S- 0 0 53 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.430 104.3-113.2-112.7 5.1 31.0 15.9 8.0 107 107 A G H X - 0 0 32 -4,-1.9 4,-2.1 -5,-0.3 5,-0.2 0.252 34.1 -79.9 79.4 155.8 28.3 14.7 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.861 128.3 52.4 -56.8 -41.5 25.3 12.5 9.7 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.913 108.8 50.8 -64.0 -42.3 23.2 15.3 8.2 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-1.3 -3,-0.2 4,-0.2 0.966 114.1 42.2 -58.8 -54.3 25.9 16.2 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-2.4 1,-0.3 -2,-0.2 0.882 107.1 60.5 -61.5 -40.9 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 8 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.705 95.0 68.2 -63.1 -14.2 22.6 12.0 4.3 113 113 A G T << S+ 0 0 53 -3,-1.3 2,-1.6 -4,-0.6 -1,-0.3 0.567 75.0 84.3 -78.7 -12.7 22.6 14.9 1.9 114 114 A F <> + 0 0 41 -3,-2.4 4,-2.4 -4,-0.2 5,-0.3 -0.309 57.1 159.8 -85.9 58.4 24.5 12.9 -0.7 115 115 A T H > + 0 0 85 -2,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.850 66.8 43.6 -48.7 -50.2 21.2 11.3 -1.9 116 116 A N H > S+ 0 0 91 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.894 113.7 48.6 -66.8 -43.8 22.4 10.2 -5.4 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 109.8 54.5 -64.0 -38.7 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.877 107.7 49.5 -61.9 -38.9 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 119 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.912 110.4 50.3 -68.5 -38.8 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 23 -4,-2.1 5,-2.3 2,-0.2 4,-0.4 0.872 110.1 50.3 -67.4 -38.3 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.938 108.4 51.9 -66.1 -43.3 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.875 109.7 50.3 -61.1 -31.5 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.503 112.7-121.3 -84.0 -4.5 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 99 -3,-1.6 2,-1.2 -4,-0.4 -3,-0.2 0.776 62.3 146.6 67.8 32.5 26.8 -1.5 -5.8 125 125 A R >< + 0 0 113 -5,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.713 19.6 171.9 -98.3 78.1 27.6 0.8 -8.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.883 69.2 46.8 -58.3 -50.7 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 115.3 47.3 -62.5 -41.8 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.893 111.0 49.5 -68.2 -41.0 29.5 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.887 108.9 54.7 -64.3 -37.2 29.3 6.4 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.911 109.0 47.2 -64.7 -39.5 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 87 -4,-1.9 4,-0.5 1,-0.2 3,-0.2 0.918 115.1 46.5 -65.3 -43.4 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 42 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.885 106.3 56.5 -66.9 -40.8 29.4 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.845 101.6 59.7 -61.6 -31.4 31.1 11.6 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.7 -3,-0.2 -1,-0.2 0.647 85.2 79.2 -73.8 -16.3 33.9 13.7 -6.4 135 135 A K S << S+ 0 0 155 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.535 81.6 96.6 -87.5 68.3 31.4 16.4 -7.6 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.998 85.8-116.3-152.1 159.3 31.2 18.0 -4.2 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.892 115.7 63.0 -62.2 -37.0 32.6 20.8 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.950 106.3 42.2 -50.8 -51.2 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 115.7 49.9 -66.2 -41.3 36.2 16.7 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.838 115.6 40.8 -69.4 -31.4 37.2 20.1 -3.7 141 141 A Q H < S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 131.6 21.7 -84.7 -39.6 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 -0.518 73.2 160.9-127.8 69.4 40.0 18.2 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.822 69.6 52.5 -62.4 -38.3 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.931 116.0 39.5 -67.8 -41.8 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 115.5 51.8 -70.2 -44.9 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -8,-0.2 5,-0.2 0.920 107.9 52.5 -57.5 -45.2 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 91 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.862 108.7 51.4 -58.5 -37.2 40.3 10.5 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.2 0.933 113.7 42.8 -66.6 -43.9 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.933 114.8 50.3 -68.3 -43.8 37.8 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.892 108.6 51.8 -60.2 -43.1 36.4 7.4 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.7 -5,-0.2 6,-0.4 0.858 106.8 55.1 -61.3 -34.2 39.1 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.923 110.8 44.1 -66.1 -41.9 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.914 115.2 49.9 -66.8 -40.4 34.4 2.8 -1.9 154 154 A R H < S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.915 125.7 22.6 -64.8 -46.2 35.5 2.0 -5.4 155 155 A T H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.708 85.5-135.5 -97.8 -27.1 37.7 -0.9 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.767 73.0 100.8 73.8 21.5 36.5 -2.3 -1.3 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.844 80.7-119.1-129.6 172.3 40.1 -2.6 -0.1 158 158 A W S >> S+ 0 0 44 -2,-0.3 3,-2.3 1,-0.2 4,-0.7 0.127 72.1 122.3 -95.9 16.6 42.5 -0.6 2.1 159 159 A D G >4 + 0 0 95 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.861 66.2 58.2 -50.5 -38.9 44.9 0.1 -0.7 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.640 110.3 45.6 -67.3 -15.7 44.7 3.9 -0.4 161 161 A Y G <4 0 0 19 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.422 360.0 360.0-106.3 -5.0 45.8 3.7 3.1 162 162 A K << 0 0 170 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.803 360.0 360.0-104.3 360.0 48.7 1.2 2.7