==== 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) 01-SEP-93 138L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.W.HEINZ,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 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 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 0.000 360.0 360.0 360.0 149.6 43.4 -1.8 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.911 360.0 -80.1-156.8 176.0 40.1 -0.7 10.8 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.813 124.7 51.2 -54.7 -37.8 38.0 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 112.7 42.8 -69.3 -46.8 40.1 3.7 14.1 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.856 114.1 53.8 -65.7 -36.5 43.3 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.963 112.4 41.2 -64.7 -50.4 41.8 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.871 109.1 60.2 -68.3 -29.2 40.5 7.9 10.9 8 8 A R H X S+ 0 0 97 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.905 108.2 47.2 -64.3 -32.6 43.7 8.3 12.9 9 9 A I H < S+ 0 0 86 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.934 114.9 44.5 -71.4 -45.0 45.5 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 124.6 30.9 -68.7 -32.4 43.0 11.0 8.1 11 11 A E H < S- 0 0 46 -4,-2.6 19,-0.4 -5,-0.2 -1,-0.2 0.670 90.9-152.7-101.2 -23.5 42.7 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 -0.248 25.8 -88.4 73.0-169.5 46.1 13.1 12.8 13 13 A L + 0 0 35 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.942 41.7 173.8-143.0 120.1 46.5 13.7 16.5 14 14 A R E -A 28 0A 139 14,-1.9 14,-2.6 -2,-0.3 4,-0.1 -0.997 18.0-163.3-130.4 132.6 47.1 17.0 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.449 74.2 65.0 -94.1 -2.7 47.2 17.5 21.9 16 16 A K E S-C 57 0B 98 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.909 101.2 -89.2-118.3 143.7 46.8 21.3 21.8 17 17 A I E + 0 0 19 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.264 58.8 170.3 -48.7 139.3 43.7 23.1 20.6 18 18 A Y E -A 26 0A 27 8,-3.2 8,-3.1 -4,-0.1 2,-0.4 -0.882 35.6-101.6-143.9 174.1 44.1 23.8 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.857 34.0-139.5-102.8 136.0 42.1 25.0 13.8 20 20 A D > - 0 0 48 4,-2.7 3,-1.9 -2,-0.4 -1,-0.1 -0.090 41.4 -79.8 -78.4-167.6 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.710 134.9 48.7 -68.0 -20.4 40.7 22.8 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.395 124.2-104.3 -96.8 -0.8 37.6 24.9 7.9 23 23 A G S < S+ 0 0 35 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.615 73.6 141.6 87.6 19.2 39.2 27.1 10.6 24 24 A Y - 0 0 77 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.772 59.2-101.5-100.5 145.7 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-3.1 11,-0.4 9,-1.5 -0.374 54.7 158.5 -63.9 126.3 38.7 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.2 6,-0.3 2,-0.3 -0.893 20.0-167.8-142.5 164.6 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-1.8 -2,-0.3 2,-0.2 -0.991 51.5 2.9-152.3 162.2 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.9 -2,-0.3 2,-1.0 -0.463 122.2 -4.3 72.1-133.7 42.8 15.5 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.651 127.4 -54.6-100.0 71.2 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.764 83.9 160.2 67.0 29.5 39.6 15.5 14.8 31 31 A H E < -B 27 0A 30 -4,-1.8 -4,-1.8 1,-0.0 -1,-0.2 -0.669 33.3-142.9 -87.3 103.7 37.3 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.361 19.3-176.4 -63.6 132.3 35.6 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.908 58.2 -25.9 -96.0 -47.9 35.1 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.967 35.3-137.4-164.1 151.7 33.1 24.7 18.4 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.470 74.9 109.9 -91.0 -3.2 32.4 26.6 15.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.432 73.4-131.5 -74.7 150.5 32.6 29.7 17.1 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.581 76.5 104.7 -76.3 -9.7 35.5 32.1 16.6 38 38 A S > - 0 0 50 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.666 55.9-160.9 -83.3 119.3 36.2 32.4 20.3 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.799 96.5 54.7 -64.1 -28.5 39.2 30.6 21.7 40 40 A N H > S+ 0 0 114 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 102.4 53.4 -71.8 -43.1 37.6 30.9 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 111.2 49.8 -56.5 -38.8 34.4 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.910 108.9 48.7 -64.8 -44.7 36.6 26.5 22.7 43 43 A K H X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.2 11,-0.2 0.898 111.7 53.2 -63.2 -34.6 38.5 26.1 26.0 44 44 A S H X S+ 0 0 70 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 109.8 44.3 -64.0 -51.7 35.2 26.1 27.7 45 45 A E H X S+ 0 0 67 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 112.6 55.8 -61.2 -39.3 33.8 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 5,-0.3 0.970 108.0 45.0 -60.5 -48.4 37.1 21.4 25.9 47 47 A D H X>S+ 0 0 34 -4,-2.6 4,-2.4 1,-0.2 5,-1.0 0.897 112.7 52.1 -61.5 -39.7 37.0 21.5 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.873 111.0 48.0 -62.7 -38.6 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.7 36.0 -71.5 -34.6 34.2 17.5 27.3 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.685 101.2-127.0 -90.2 -30.1 37.1 16.3 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.789 76.8 72.9 84.7 25.8 35.8 17.1 32.9 52 52 A R S - 0 0 9 -2,-0.8 3,-1.3 -11,-0.2 -1,-0.2 0.697 32.3-142.3 -91.4 -24.4 42.6 21.8 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.846 74.0 -61.0 61.6 29.8 44.0 25.1 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.549 116.9 101.5 74.3 11.1 43.6 23.9 26.2 57 57 A V B < +C 16 0B 64 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.976 45.5 179.9-128.2 136.7 45.9 20.9 26.5 58 58 A I - 0 0 4 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.876 26.3-109.6-130.9 165.1 45.0 17.2 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.445 31.7-107.9 -89.0 170.5 46.8 14.0 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 121.5 53.3 -61.5 -41.6 46.9 11.2 24.6 61 61 A D H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 108.6 48.8 -59.7 -43.9 44.7 9.1 26.7 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 110.7 51.5 -64.0 -42.2 42.1 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.909 109.7 49.4 -57.9 -45.5 42.4 12.3 23.1 64 64 A E H X S+ 0 0 86 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.844 108.4 54.3 -65.3 -32.4 41.8 8.7 22.6 65 65 A K H X S+ 0 0 143 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 108.9 45.6 -67.8 -45.9 38.8 8.8 24.8 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.883 112.8 54.8 -58.6 -40.3 37.1 11.6 22.9 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.924 105.8 48.8 -60.6 -49.0 38.0 9.7 19.7 68 68 A N H X S+ 0 0 92 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.924 112.5 49.2 -59.5 -40.1 36.3 6.5 20.8 69 69 A Q H X S+ 0 0 95 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.915 109.9 51.7 -64.9 -41.0 33.2 8.4 21.8 70 70 A D H X S+ 0 0 37 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.872 109.5 48.8 -64.0 -39.3 33.1 10.2 18.5 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.954 112.5 49.5 -63.5 -47.9 33.4 6.9 16.5 72 72 A D H X S+ 0 0 74 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.939 109.8 49.6 -54.8 -49.5 30.7 5.5 18.5 73 73 A A H X S+ 0 0 45 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.885 108.9 54.0 -59.3 -37.9 28.5 8.5 18.0 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.962 111.2 44.1 -63.7 -47.5 29.1 8.3 14.3 75 75 A V H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.931 114.2 50.4 -60.0 -45.9 28.0 4.7 14.0 76 76 A R H X S+ 0 0 114 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.898 108.5 51.6 -64.0 -34.8 25.1 5.4 16.2 77 77 A G H X S+ 0 0 2 -4,-2.8 4,-0.6 -5,-0.2 -1,-0.2 0.901 109.5 51.1 -67.7 -38.7 24.0 8.4 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 7,-0.4 0.946 109.7 49.2 -59.9 -48.4 24.2 6.2 11.0 79 79 A L H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.701 112.8 47.4 -67.2 -21.6 22.0 3.6 12.6 80 80 A R H 3< S+ 0 0 178 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.474 93.1 94.7 -94.7 -6.1 19.5 6.1 13.7 81 81 A N S+ 0 0 0 -3,-0.2 4,-2.7 -6,-0.2 5,-0.3 0.846 99.9 67.5 -90.3 -39.4 21.9 6.1 6.0 85 85 A K H X S+ 0 0 81 -4,-2.8 4,-3.2 -7,-0.4 5,-0.3 0.915 98.9 50.4 -48.7 -48.4 21.1 3.0 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.901 112.2 49.1 -63.6 -34.0 19.9 1.1 4.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-0.7 -3,-0.2 3,-0.3 0.965 112.2 47.1 -67.6 -48.2 23.0 2.0 2.9 88 88 A Y H >< S+ 0 0 31 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.927 109.9 52.6 -58.2 -47.2 25.2 1.0 5.7 89 89 A D H 3< S+ 0 0 72 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.827 106.7 55.3 -64.0 -25.8 23.5 -2.3 6.2 90 90 A S H 3< S+ 0 0 39 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.654 95.8 86.3 -80.4 -12.0 23.9 -3.1 2.6 91 91 A L S << S- 0 0 6 -3,-1.4 2,-0.0 -4,-0.7 31,-0.0 -0.542 77.1-113.9 -93.1 160.2 27.6 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.234 44.9 -96.7 -73.5 167.0 30.6 -4.9 3.2 93 93 A C H > S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.835 120.3 52.3 -63.1 -34.1 32.7 -4.0 6.3 94 94 A V H > S+ 0 0 19 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.945 112.4 45.0 -68.2 -43.7 35.4 -2.1 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.849 105.5 60.7 -71.0 -28.2 33.0 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.895 101.4 55.9 -61.1 -37.1 31.1 0.6 5.9 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.878 104.0 53.1 -60.3 -38.1 34.3 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.871 109.2 48.9 -64.7 -36.7 34.3 4.6 4.3 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.907 110.3 50.8 -70.4 -39.0 30.8 5.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.932 107.1 54.5 -63.1 -43.0 31.7 6.1 8.8 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.941 108.4 48.5 -56.5 -47.5 34.7 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.927 111.8 48.6 -60.3 -40.0 32.5 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.924 109.0 53.6 -67.3 -37.6 30.0 10.8 8.7 104 104 A F H < S+ 0 0 31 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.915 115.7 40.6 -63.6 -35.4 32.8 11.5 11.2 105 105 A Q H < S+ 0 0 57 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.883 131.8 18.0 -77.0 -44.3 34.0 14.3 9.0 106 106 A M H X S- 0 0 52 -4,-2.8 4,-0.7 -5,-0.2 -3,-0.2 0.470 102.5-111.0-114.4 -2.6 30.9 15.9 7.9 107 107 A G H X - 0 0 33 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.190 34.7 -84.2 82.0 150.8 28.1 14.9 10.1 108 108 A E H > S+ 0 0 58 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.861 128.5 53.0 -59.5 -39.0 25.2 12.7 9.4 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.928 107.2 52.1 -63.3 -46.9 23.2 15.5 8.0 110 110 A G H >< S+ 0 0 34 -4,-0.7 3,-0.6 1,-0.2 -2,-0.2 0.930 115.8 40.3 -56.8 -50.5 26.0 16.4 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.7 1,-0.2 -1,-0.2 0.893 103.6 64.1 -69.0 -41.8 26.3 12.9 4.3 112 112 A A H 3< S+ 0 0 8 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.787 95.5 67.4 -56.2 -20.7 22.6 12.0 4.2 113 113 A G T << S+ 0 0 57 -4,-0.9 2,-0.9 -3,-0.6 -1,-0.3 0.472 73.8 85.3 -78.3 -1.0 22.5 14.8 1.5 114 114 A F <> + 0 0 38 -3,-2.7 4,-2.7 1,-0.2 5,-0.3 -0.330 57.2 158.4 -94.6 54.1 24.6 12.9 -1.0 115 115 A T H > + 0 0 82 -2,-0.9 4,-1.9 1,-0.3 -1,-0.2 0.833 65.1 46.1 -44.9 -53.0 21.4 11.2 -2.2 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.914 113.5 47.9 -63.9 -41.8 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 110.1 54.1 -65.0 -41.3 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.890 107.5 49.7 -56.0 -43.7 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 114 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.924 110.9 50.6 -65.3 -39.4 21.7 5.3 -4.1 120 120 A M H <>S+ 0 0 29 -4,-2.1 5,-2.3 1,-0.2 4,-0.3 0.874 110.6 47.9 -66.7 -39.1 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.9 2,-0.2 -1,-0.2 0.925 109.3 54.2 -67.1 -40.6 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.904 110.2 47.2 -58.9 -35.9 23.2 0.9 -2.4 123 123 A Q T 3<5S- 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.502 113.3-121.4 -82.2 -3.0 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.9 2,-1.3 -4,-0.3 -3,-0.2 0.772 62.1 146.4 65.0 32.8 26.7 -1.5 -5.8 125 125 A R >< + 0 0 115 -5,-2.3 4,-2.5 1,-0.2 5,-0.2 -0.689 21.5 173.2 -97.1 74.9 27.6 0.6 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.1 1,-0.2 5,-0.2 0.907 67.9 46.5 -56.0 -53.6 31.0 1.4 -7.5 127 127 A D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 115.0 48.4 -60.0 -42.4 32.6 3.2 -10.3 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 109.5 51.3 -65.2 -40.2 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.905 108.0 54.1 -61.0 -38.3 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.904 108.6 47.7 -65.4 -40.4 33.0 7.2 -7.2 131 131 A V H X S+ 0 0 93 -4,-1.9 4,-0.6 -5,-0.2 3,-0.4 0.952 114.8 46.3 -65.7 -46.5 32.5 9.6 -10.0 132 132 A N H >< S+ 0 0 40 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.900 107.5 55.7 -64.3 -39.6 29.4 11.1 -8.4 133 133 A L H 3< S+ 0 0 3 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.837 101.0 61.5 -61.5 -30.6 31.0 11.5 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.8 -3,-0.4 -1,-0.2 0.683 84.4 78.1 -69.9 -21.3 33.8 13.5 -6.6 135 135 A K S << S+ 0 0 159 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.581 80.9 97.9 -88.3 74.1 31.5 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.997 84.3-116.1-156.4 157.5 31.3 17.8 -4.4 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 114.7 63.0 -61.4 -40.7 32.6 20.6 -2.3 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.950 106.5 42.9 -47.1 -52.7 34.0 17.9 0.0 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.913 114.5 49.8 -62.9 -44.1 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 116.2 42.3 -67.0 -30.2 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 103 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.869 131.9 19.4 -84.4 -40.2 38.2 21.1 -0.4 142 142 A T S X S+ 0 0 24 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 -0.619 73.6 161.9-130.2 68.7 40.0 18.0 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.852 68.7 52.5 -58.4 -41.3 40.8 16.2 -2.2 144 144 A N H > S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.936 115.6 39.6 -68.6 -39.7 43.5 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 114.9 52.8 -71.6 -43.0 41.4 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.929 107.4 53.8 -56.7 -44.3 38.3 12.4 -0.3 147 147 A K H X S+ 0 0 95 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.866 106.9 51.6 -57.4 -40.1 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.922 113.7 41.9 -65.2 -41.8 41.3 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.894 113.7 53.1 -71.5 -39.5 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.894 108.2 50.1 -61.4 -40.6 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.838 107.7 55.6 -64.6 -33.1 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.882 110.0 43.6 -66.5 -43.9 37.8 2.6 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 115.3 50.7 -69.1 -38.0 34.2 2.7 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.899 124.4 24.7 -63.7 -43.2 35.3 1.9 -5.3 155 155 A T H < S- 0 0 45 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.612 84.8-136.1-100.2 -19.5 37.5 -1.1 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 1,-0.2 -62,-0.2 0.671 73.8 102.1 68.7 15.3 36.2 -2.5 -1.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.795 79.5-122.5-124.6 172.1 39.9 -2.8 -0.1 158 158 A W S > S+ 0 0 44 -2,-0.3 3,-2.4 1,-0.2 4,-0.4 0.141 70.8 121.7 -94.5 16.6 42.2 -0.7 2.2 159 159 A D G > + 0 0 95 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.817 67.0 59.4 -52.4 -32.5 44.8 -0.1 -0.5 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.647 105.2 51.3 -71.8 -13.9 44.5 3.7 -0.3 161 161 A Y G < 0 0 18 -3,-2.4 -1,-0.3 -13,-0.1 -2,-0.2 0.439 360.0 360.0-106.7 6.9 45.5 3.4 3.3 162 162 A K < 0 0 177 -3,-1.3 -2,-0.2 -4,-0.4 -3,-0.1 0.849 360.0 360.0-105.2 360.0 48.6 1.3 2.7