==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-01 1KNI . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.H.JACOBSON,M.MATSUMURA,H.R.FABER,B.W.MATTHEWS . 162 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 2 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.0 44.6 -1.7 8.6 2 2 A N > - 0 0 64 95,-0.0 4,-2.1 92,-0.0 3,-0.3 -0.886 360.0 -83.0-146.1 175.7 41.4 -0.9 10.5 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.851 123.9 51.6 -55.5 -44.2 39.3 2.2 11.0 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 112.2 45.4 -60.9 -43.2 41.4 3.6 13.9 5 5 A E H > S+ 0 0 102 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.886 112.9 52.2 -65.9 -38.3 44.7 3.3 12.0 6 6 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.921 112.3 43.7 -62.7 -50.7 43.1 4.9 8.9 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.885 109.1 56.6 -64.5 -41.3 41.7 7.9 10.8 8 8 A R H X S+ 0 0 101 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.934 110.5 47.3 -60.2 -34.7 45.0 8.4 12.7 9 9 A I H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 114.8 45.3 -71.2 -42.5 46.6 8.6 9.3 10 10 A D H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.821 126.6 25.0 -69.3 -34.8 44.0 11.1 7.9 11 11 A E H < S- 0 0 42 -4,-2.8 19,-0.3 -5,-0.1 -3,-0.2 0.678 92.1-151.6-106.1 -26.9 43.8 13.4 10.9 12 12 A G < - 0 0 21 -4,-1.8 2,-0.5 -5,-0.4 18,-0.2 -0.062 26.5 -76.8 76.5-175.3 47.1 13.1 12.6 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.957 47.7 168.8-123.4 113.8 47.9 13.7 16.4 14 14 A R E -A 28 0A 139 14,-1.5 14,-2.0 -2,-0.5 4,-0.1 -0.992 20.6-165.9-129.8 129.9 48.1 17.3 17.9 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.325 72.6 63.4 -95.3 8.9 48.2 18.0 21.6 16 16 A K E S-C 57 0B 144 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.955 98.5 -90.5-130.7 148.2 47.5 21.7 21.2 17 17 A I E + 0 0 32 39,-1.0 2,-0.2 -2,-0.3 10,-0.2 -0.341 58.8 161.0 -56.7 137.0 44.4 23.5 19.9 18 18 A Y E -A 26 0A 30 8,-2.5 8,-2.5 -4,-0.1 2,-0.4 -0.863 38.6 -99.9-142.8-178.3 44.9 24.1 16.1 19 19 A K E -A 25 0A 129 -2,-0.2 6,-0.2 6,-0.2 4,-0.1 -0.885 28.6-140.0-112.4 143.4 42.6 24.9 13.1 20 20 A D > - 0 0 50 4,-2.4 3,-2.0 -2,-0.4 -1,-0.1 0.045 48.0 -72.2 -81.5-172.6 41.4 22.3 10.5 21 21 A a T 3 S+ 0 0 79 1,-0.3 2,-1.1 2,-0.1 -2,-0.1 0.897 138.8 49.3 -38.0 -55.7 41.0 22.7 6.5 22 22 A E T 3 S- 0 0 60 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.192 119.8-110.4 -71.4 21.9 38.1 24.9 7.5 23 23 A G S < S+ 0 0 42 -3,-2.0 2,-0.2 -2,-1.1 -1,-0.1 0.428 70.1 145.9 54.5 5.6 39.8 27.0 10.1 24 24 A Y - 0 0 82 1,-0.1 -4,-2.4 -5,-0.1 2,-0.4 -0.459 57.6-105.1 -73.9 135.6 37.7 25.3 12.9 25 25 A Y E +AB 19 34A 31 9,-0.9 8,-3.3 11,-0.3 9,-1.3 -0.527 51.8 166.6 -68.8 122.9 39.3 24.8 16.2 26 26 A T E -AB 18 32A 4 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.3 -0.820 18.4-167.9-132.3 164.8 40.3 21.2 16.8 27 27 A I E > - B 0 31A 0 4,-1.8 4,-2.6 -2,-0.3 -12,-0.2 -0.973 53.2 -1.6-150.9 160.6 42.5 19.1 19.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.0 -14,-1.5 -2,-0.3 2,-1.0 -0.314 124.0 -6.3 64.4-128.7 43.9 15.4 19.3 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.669 129.7 -51.3-102.0 74.0 43.0 13.1 16.5 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-0.8 -19,-0.3 -2,-0.2 0.817 81.0 164.2 70.3 27.4 40.5 15.3 14.6 31 31 A H E < -B 27 0A 33 -4,-2.6 -4,-1.8 1,-0.0 2,-0.3 -0.699 32.3-140.2 -81.1 115.0 38.3 16.2 17.6 32 32 A L E -B 26 0A 65 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.512 20.9-177.7 -68.2 123.8 36.2 19.3 16.5 33 33 A L E - 0 0 14 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.886 55.7 -39.2 -89.8 -42.8 36.0 21.7 19.4 34 34 A T E -B 25 0A 31 -9,-1.3 -9,-0.9 1,-0.1 -1,-0.4 -0.923 32.6-127.7-174.9 157.5 33.7 24.4 18.0 35 35 A K S S+ 0 0 126 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.663 75.0 109.8 -90.1 -19.6 32.8 26.5 15.0 36 36 A S S S- 0 0 43 1,-0.2 -11,-0.3 2,-0.1 6,-0.1 -0.229 72.8-133.1 -56.3 139.3 33.1 29.9 16.9 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.698 77.8 111.1 -65.1 -9.8 36.1 32.0 15.9 38 38 A S > - 0 0 48 1,-0.2 4,-1.4 2,-0.1 3,-0.2 -0.502 52.7-168.8 -77.8 124.5 36.6 32.4 19.6 39 39 A L H > S+ 0 0 73 -2,-0.7 4,-1.8 1,-0.3 -1,-0.2 0.693 92.1 56.0 -74.5 -18.4 39.6 30.7 21.0 40 40 A N H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.856 103.2 53.2 -83.2 -27.0 38.3 31.2 24.4 41 41 A A H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.831 110.1 50.3 -65.4 -35.8 35.2 29.5 23.4 42 42 A A H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.892 107.8 50.8 -70.9 -44.3 37.4 26.5 22.3 43 43 A K H X S+ 0 0 49 -4,-1.8 4,-1.8 1,-0.2 11,-0.3 0.859 109.4 52.4 -65.3 -30.4 39.4 26.4 25.4 44 44 A S H X S+ 0 0 68 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.953 109.2 48.0 -68.9 -48.9 36.1 26.3 27.3 45 45 A E H X S+ 0 0 61 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.946 109.7 55.1 -54.5 -47.4 34.8 23.4 25.3 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.924 107.0 47.6 -54.2 -47.4 38.1 21.6 25.8 47 47 A D H X>S+ 0 0 40 -4,-1.8 4,-2.9 1,-0.2 5,-0.9 0.887 112.9 50.4 -62.2 -39.6 38.0 21.8 29.6 48 48 A K H <5S+ 0 0 147 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.907 112.2 46.1 -62.9 -48.2 34.4 20.6 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 122.4 36.9 -64.1 -39.4 35.3 17.6 27.3 50 50 A I H <5S- 0 0 37 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.778 99.8-129.8 -85.1 -34.7 38.3 16.7 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.719 75.1 77.0 89.7 17.7 37.0 17.4 32.8 52 52 A R S - 0 0 8 -2,-1.1 3,-2.3 -11,-0.3 -1,-0.2 0.591 34.5-144.3 -96.2 -14.0 43.8 22.2 30.4 55 55 A N T 3 S- 0 0 134 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.737 74.5 -59.3 55.9 23.0 44.9 25.6 29.3 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.0 1,-0.2 2,-0.4 0.557 115.1 105.2 86.3 12.1 44.6 24.2 25.7 57 57 A V B < -C 16 0B 64 -3,-2.3 2,-0.2 -41,-0.2 -41,-0.2 -0.984 43.8-179.3-128.3 133.4 47.1 21.4 26.1 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.0 -0.713 24.0-114.1-121.1 169.7 46.2 17.6 26.4 59 59 A T > - 0 0 66 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.540 31.9-108.3 -95.9 165.0 48.1 14.4 26.9 60 60 A K H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.863 119.7 52.4 -61.2 -40.1 48.3 11.6 24.4 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 108.3 52.6 -64.9 -37.0 46.0 9.4 26.6 62 62 A E H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.898 107.9 51.3 -61.9 -41.0 43.5 12.2 26.7 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.859 109.5 50.5 -61.3 -39.0 43.6 12.4 22.9 64 64 A E H X S+ 0 0 74 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.813 106.8 52.9 -71.8 -34.9 43.0 8.6 22.7 65 65 A K H X S+ 0 0 140 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.936 111.3 46.9 -66.6 -44.7 40.0 8.7 25.0 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.898 111.6 51.5 -62.0 -42.1 38.4 11.4 22.9 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.940 108.2 50.8 -64.8 -43.6 39.2 9.5 19.7 68 68 A N H X S+ 0 0 96 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.939 111.7 48.8 -58.3 -44.5 37.6 6.3 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.911 111.6 49.8 -59.5 -42.0 34.5 8.3 21.9 70 70 A D H X S+ 0 0 33 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.843 109.0 48.5 -70.6 -36.3 34.3 9.9 18.5 71 71 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.959 113.4 49.9 -68.7 -43.9 34.6 6.7 16.5 72 72 A D H X S+ 0 0 85 -4,-2.2 4,-2.3 -5,-0.3 5,-0.3 0.937 110.3 49.0 -56.8 -47.3 31.9 5.1 18.7 73 73 A A H X S+ 0 0 46 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 111.2 51.2 -61.6 -39.8 29.6 8.1 18.2 74 74 A A H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.934 110.6 46.8 -60.7 -52.7 30.2 8.0 14.3 75 75 A V H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 3,-0.2 0.958 115.1 46.8 -55.3 -49.6 29.3 4.2 14.0 76 76 A R H X S+ 0 0 112 -4,-2.3 4,-1.5 1,-0.3 -2,-0.2 0.876 108.7 56.4 -63.5 -35.9 26.2 4.7 16.2 77 77 A G H < S+ 0 0 3 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.902 107.7 47.3 -65.6 -37.4 25.2 7.7 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-2.0 -3,-0.2 7,-0.6 0.972 110.5 51.2 -62.0 -52.3 25.3 5.6 11.0 79 79 A L H 3< S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.724 112.7 46.6 -60.8 -26.6 23.2 2.7 12.5 80 80 A R T 3< S+ 0 0 163 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.220 92.6 96.4 -91.0 -5.8 20.5 5.1 13.7 81 81 A N <> - 0 0 22 -3,-2.0 4,-2.6 1,-0.2 -4,-0.0 -0.857 64.3-151.2-103.2 129.4 20.2 7.0 10.6 82 82 A A T 4 S+ 0 0 85 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.807 97.9 39.0 -59.5 -35.6 17.5 6.1 8.1 83 83 A K T 4 S+ 0 0 128 2,-0.1 4,-0.4 -3,-0.1 -1,-0.2 0.775 120.6 43.8 -86.3 -27.8 19.4 7.2 5.1 84 84 A L T >> S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.7 0.919 102.1 63.7 -85.9 -39.4 22.9 6.0 6.2 85 85 A K H 3X S+ 0 0 82 -4,-2.6 4,-2.6 -7,-0.6 5,-0.2 0.853 99.8 50.3 -50.6 -50.7 22.1 2.5 7.6 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.834 112.0 50.4 -63.9 -28.9 20.9 0.9 4.5 87 87 A V H <> S+ 0 0 3 -3,-0.7 4,-0.5 -4,-0.4 3,-0.4 0.956 110.9 47.1 -72.4 -46.5 23.9 2.1 2.7 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.7 1,-0.2 -3,-0.2 0.934 108.7 56.0 -56.7 -46.9 26.3 0.7 5.4 89 89 A D H 3< S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.829 105.9 52.7 -57.5 -30.8 24.4 -2.7 5.5 90 90 A S H 3< S+ 0 0 34 -4,-1.0 -1,-0.3 -3,-0.4 2,-0.2 0.608 95.8 89.0 -83.0 -7.5 25.0 -3.1 1.8 91 91 A L S << S- 0 0 8 -3,-1.7 31,-0.0 -4,-0.5 2,-0.0 -0.559 73.4-117.8 -97.6 162.1 28.8 -2.5 1.9 92 92 A D > - 0 0 56 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.248 45.1 -91.3 -77.9 175.8 31.8 -4.8 2.4 93 93 A A H > S+ 0 0 86 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.827 122.5 47.3 -61.6 -38.9 34.2 -4.3 5.3 94 94 A V H >> S+ 0 0 23 62,-0.2 4,-1.5 2,-0.2 3,-0.6 0.969 113.5 48.0 -69.3 -47.7 36.7 -1.8 3.7 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.779 105.9 58.9 -60.1 -30.6 34.0 0.4 2.3 96 96 A R H 3X S+ 0 0 82 -4,-1.6 4,-2.4 2,-0.2 -1,-0.3 0.890 102.8 53.2 -65.2 -41.0 32.2 0.4 5.6 97 97 A A H S+ 0 0 54 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.926 129.0 48.0 -43.6 -63.1 25.6 12.3 10.1 109 109 A T H > S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.884 110.9 48.8 -51.5 -53.5 23.7 15.2 8.7 110 110 A G H < S+ 0 0 32 -4,-0.6 3,-0.4 2,-0.2 -1,-0.2 0.898 114.6 43.8 -61.6 -45.6 26.4 16.3 6.3 111 111 A V H >< S+ 0 0 1 -4,-2.7 3,-2.5 1,-0.2 -2,-0.2 0.921 106.7 64.0 -64.7 -40.4 27.1 12.8 4.9 112 112 A A H 3< S+ 0 0 12 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 95.9 58.7 -54.5 -28.5 23.3 12.2 4.7 113 113 A G T 3< S+ 0 0 55 -4,-1.1 2,-0.7 -3,-0.4 -1,-0.3 0.422 74.4 91.0 -86.1 5.7 23.0 15.0 2.2 114 114 A F X> + 0 0 46 -3,-2.5 4,-2.4 1,-0.2 3,-0.6 -0.311 57.1 160.8 -88.4 49.8 25.3 13.4 -0.4 115 115 A T H 3> + 0 0 79 -2,-0.7 4,-1.7 1,-0.3 -1,-0.2 0.806 64.9 47.1 -40.7 -48.6 22.1 11.8 -1.9 116 116 A N H 3> S+ 0 0 90 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.927 113.8 44.9 -68.1 -43.0 23.4 11.0 -5.3 117 117 A S H <> S+ 0 0 2 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.894 110.7 54.6 -67.6 -43.5 26.7 9.4 -4.1 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.882 108.4 50.1 -56.1 -40.8 25.0 7.4 -1.4 119 119 A R H X S+ 0 0 112 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.962 110.6 49.0 -66.3 -40.5 22.7 5.9 -4.0 120 120 A M H <>S+ 0 0 19 -4,-2.1 5,-2.3 1,-0.2 -1,-0.2 0.892 109.8 51.2 -64.8 -40.0 25.6 5.0 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.937 108.4 52.7 -64.1 -38.3 27.4 3.3 -3.5 122 122 A Q H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 110.3 48.3 -59.0 -35.3 24.3 1.3 -2.7 123 123 A Q T 3<5S- 0 0 85 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.208 114.3-118.3 -89.9 5.8 24.1 0.2 -6.3 124 124 A K T < 5 + 0 0 103 -3,-1.8 2,-1.5 1,-0.2 3,-0.2 0.711 63.9 145.9 59.3 27.0 27.8 -0.7 -6.4 125 125 A R >< + 0 0 112 -5,-2.3 4,-2.6 1,-0.2 -1,-0.2 -0.547 18.6 169.3 -92.4 78.6 28.6 1.7 -9.1 126 126 A W H > + 0 0 49 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.851 69.2 47.2 -59.2 -45.5 32.2 2.4 -7.7 127 127 A D H > S+ 0 0 111 2,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.965 115.1 45.1 -67.4 -47.2 33.7 4.4 -10.5 128 128 A E H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.947 111.6 53.8 -62.1 -42.0 30.7 6.7 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.903 106.5 52.5 -58.2 -40.3 30.5 7.1 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.916 109.6 48.6 -63.4 -43.0 34.2 8.2 -7.0 131 131 A V H >X S+ 0 0 87 -4,-1.9 4,-0.7 1,-0.2 3,-0.6 0.939 113.4 48.2 -58.0 -47.9 33.6 10.9 -9.7 132 132 A N H >< S+ 0 0 49 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.884 106.0 54.4 -64.9 -36.7 30.6 12.2 -7.9 133 133 A L H 3< S+ 0 0 2 -4,-2.0 6,-0.3 -5,-0.2 -1,-0.2 0.807 100.7 63.0 -64.6 -32.2 32.2 12.4 -4.5 134 134 A A H << S+ 0 0 27 -4,-1.1 2,-1.4 -3,-0.6 -1,-0.2 0.662 87.7 75.3 -73.5 -15.4 35.1 14.6 -6.1 135 135 A K S << S+ 0 0 146 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 -0.481 79.2 97.1 -97.1 72.9 32.6 17.3 -6.9 136 136 A S S > S- 0 0 17 -2,-1.4 4,-1.8 1,-0.1 3,-0.2 -0.990 84.9-115.0-154.2 153.7 32.1 18.8 -3.5 137 137 A R H > S+ 0 0 135 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.899 112.7 68.2 -53.0 -43.0 33.3 21.5 -1.4 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.905 106.5 35.5 -45.2 -50.9 34.7 18.7 0.7 139 139 A Y H 4 S+ 0 0 52 -6,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.882 115.1 53.8 -76.9 -37.1 37.3 17.6 -1.7 140 140 A N H < S+ 0 0 106 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.5 42.3 -64.2 -36.0 38.1 21.1 -3.2 141 141 A Q H < S+ 0 0 104 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.934 131.7 19.1 -77.9 -45.1 38.8 22.4 0.2 142 142 A a S X S+ 0 0 13 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 -0.625 75.0 166.7-124.5 63.7 40.8 19.4 1.7 143 143 A P H > + 0 0 49 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.700 62.1 56.6 -62.0 -27.9 42.0 17.4 -1.3 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.983 113.9 37.7 -70.4 -52.7 44.6 14.9 -0.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.904 114.1 55.5 -55.9 -57.7 42.4 13.2 2.6 146 146 A A H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.980 106.2 56.0 -46.6 -43.0 39.4 13.3 0.4 147 147 A K H X S+ 0 0 89 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.795 106.3 45.8 -55.7 -46.4 41.5 11.5 -2.1 148 148 A R H X S+ 0 0 69 -4,-1.4 4,-1.8 -3,-0.4 -1,-0.3 0.908 113.8 48.4 -66.7 -43.6 42.4 8.6 0.0 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 -3,-0.3 -2,-0.2 0.946 113.0 49.7 -61.5 -47.0 38.8 8.1 1.3 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.841 109.8 49.9 -60.4 -40.0 37.5 8.3 -2.3 151 151 A T H X S+ 0 0 35 -4,-1.8 4,-3.1 -5,-0.3 5,-0.4 0.871 107.1 56.2 -66.5 -36.3 40.0 5.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.890 109.0 44.2 -62.7 -43.6 39.0 3.5 -0.8 153 153 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.825 115.0 54.3 -65.3 -36.4 35.4 3.6 -2.0 154 154 A R H < S+ 0 0 109 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.940 123.5 18.0 -65.8 -49.2 36.7 3.1 -5.6 155 155 A T H < S- 0 0 50 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.602 86.5-133.4-100.7 -19.4 38.8 0.0 -5.1 156 156 A G S < S+ 0 0 18 -4,-1.8 -62,-0.2 -5,-0.4 2,-0.2 0.705 73.4 99.7 70.5 20.6 37.6 -1.6 -1.9 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.2 -0.719 81.1-116.5-126.6 173.6 41.3 -2.2 -0.7 158 158 A W S > S+ 0 0 46 -2,-0.2 3,-1.4 1,-0.2 4,-0.1 0.075 74.2 120.5-102.5 20.4 43.6 -0.2 1.8 159 159 A D G > + 0 0 104 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.772 63.7 59.4 -56.2 -36.5 46.0 0.6 -0.9 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.692 110.5 44.6 -72.6 -12.0 45.8 4.4 -0.6 161 161 A Y G < 0 0 17 -3,-1.4 -1,-0.3 -13,-0.1 -2,-0.2 0.331 360.0 360.0-108.7 2.2 46.9 4.1 3.0 162 162 A K < 0 0 173 -3,-1.3 -2,-0.2 -4,-0.1 -3,-0.1 0.784 360.0 360.0-104.3 360.0 49.7 1.7 2.3