==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-05 2CUU . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,M.R.SAWAYA,K.HIDEG,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 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 . 10 6.1 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 2 0 1 2 1 0 0 1 1 1 0 0 0 0 0 0 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 1 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 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 60 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.1 43.1 -1.7 8.9 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.933 360.0 -81.8-158.8 173.3 39.8 -0.8 10.6 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.829 126.8 51.2 -56.3 -37.2 37.6 2.3 11.1 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 114.1 41.8 -65.6 -49.0 39.8 3.5 14.0 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.864 114.8 53.3 -65.0 -36.4 43.1 3.2 12.1 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.946 112.9 41.3 -62.7 -54.7 41.5 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.826 110.1 59.0 -64.4 -33.6 40.2 7.8 10.8 8 8 A R H X S+ 0 0 103 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.1 45.2 -61.2 -41.5 43.5 8.1 12.8 9 9 A I H < S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.945 117.5 43.9 -64.8 -47.6 45.3 8.4 9.4 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.802 124.2 33.0 -69.1 -30.1 42.7 10.9 8.1 11 11 A E H < S- 0 0 40 -4,-2.7 19,-0.5 1,-0.2 -1,-0.2 0.686 91.9-151.7-102.3 -22.4 42.5 13.1 11.2 12 12 A G < - 0 0 23 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.2 -0.201 23.6 -88.7 75.3-173.5 46.0 12.9 12.8 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.945 45.7 165.3-140.6 116.9 46.7 13.3 16.5 14 14 A R E -A 28 0A 144 14,-1.8 14,-2.3 -2,-0.4 4,-0.1 -1.000 21.5-162.5-134.3 130.4 47.3 16.7 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.467 73.3 64.2 -94.1 -3.3 47.2 17.3 21.9 16 16 A K E S-C 57 0B 149 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.914 101.1 -87.5-118.7 146.9 46.8 21.1 21.8 17 17 A I E + 0 0 31 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.287 58.6 167.8 -52.3 131.3 43.8 23.0 20.4 18 18 A Y E -A 26 0A 26 8,-2.7 8,-3.0 6,-0.1 2,-0.5 -0.889 37.9-100.4-141.1 167.1 44.3 23.6 16.7 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.845 35.5-139.6 -96.9 133.7 42.2 24.8 13.8 20 20 A D > - 0 0 45 4,-2.6 3,-1.8 -2,-0.5 -1,-0.1 0.040 42.4 -76.6 -76.1-170.7 40.9 22.1 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.728 135.4 48.8 -64.2 -22.8 40.7 22.3 7.6 22 22 A E T 3 S- 0 0 69 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.350 123.3-104.3 -95.1 0.9 37.7 24.6 7.9 23 23 A G S < S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.607 75.1 140.0 84.6 16.8 39.4 26.9 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.733 61.3-100.3 -97.4 138.1 37.4 25.5 13.4 25 25 A Y E +A 19 0A 34 11,-0.4 8,-2.5 9,-0.4 9,-1.3 -0.341 55.1 161.1 -58.9 128.1 38.9 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.7 6,-0.3 2,-0.3 -0.884 18.4-169.8-142.8 163.8 39.6 21.1 17.2 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.4 -2,-0.3 -12,-0.2 -0.972 51.3 6.3-153.3 165.2 41.7 18.8 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.8 -2,-0.3 2,-0.9 -0.392 123.6 -8.2 68.1-130.4 42.8 15.1 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.745 129.2 -50.7-105.1 77.0 41.9 12.9 16.6 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.5 -2,-0.2 0.834 82.9 164.0 62.3 34.2 39.6 15.3 14.7 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.6 -20,-0.1 2,-0.2 -0.746 30.9-143.8 -87.0 102.1 37.5 16.2 17.8 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.472 18.9-176.4 -66.0 127.1 35.6 19.3 16.7 33 33 A L - 0 0 12 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.881 58.4 -34.8 -90.6 -47.7 35.2 21.6 19.7 34 34 A T - 0 0 33 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.967 35.3-128.9-169.7 158.9 33.1 24.4 18.3 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.430 75.7 116.0 -94.3 -2.5 32.5 26.5 15.1 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.397 69.2-137.6 -65.9 136.9 32.9 29.6 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.476 77.1 104.5 -73.7 1.0 35.8 32.0 16.4 38 38 A S > - 0 0 49 1,-0.2 4,-1.9 -13,-0.0 5,-0.1 -0.752 56.8-163.2 -88.6 117.3 36.3 32.3 20.2 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.876 94.8 56.6 -62.3 -38.5 39.3 30.3 21.6 40 40 A N H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 105.1 50.5 -59.7 -40.2 37.7 30.8 25.1 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 110.9 49.7 -62.9 -43.5 34.5 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.919 109.2 51.1 -62.0 -43.5 36.6 26.3 22.5 43 43 A K H X S+ 0 0 53 -4,-2.7 4,-2.6 1,-0.2 11,-0.2 0.889 108.8 52.6 -63.7 -36.3 38.4 25.9 25.8 44 44 A S H X S+ 0 0 72 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.928 110.1 47.1 -64.1 -44.8 35.0 25.8 27.6 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.921 112.0 51.8 -60.6 -45.5 33.8 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.946 109.3 48.4 -56.7 -50.6 37.1 21.1 25.8 47 47 A D H X>S+ 0 0 37 -4,-2.6 4,-2.2 1,-0.2 5,-1.2 0.885 113.7 47.2 -58.3 -41.2 36.9 21.3 29.6 48 48 A K H <5S+ 0 0 138 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.886 112.2 50.7 -65.6 -42.9 33.3 20.1 29.6 49 49 A A H <5S+ 0 0 41 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.897 120.4 33.4 -62.5 -43.5 34.2 17.3 27.2 50 50 A I H <5S- 0 0 37 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.707 104.2-125.1 -85.8 -28.7 37.1 16.0 29.3 51 51 A G T <5S+ 0 0 66 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.744 77.0 73.2 85.7 25.9 35.6 16.8 32.7 52 52 A R S - 0 0 13 -2,-1.0 3,-1.1 -11,-0.2 -1,-0.2 0.719 33.7-147.3 -96.3 -26.6 42.5 21.7 30.7 55 55 A N T 3 S- 0 0 114 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.869 74.9 -51.9 52.9 42.6 43.6 25.1 29.4 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.511 116.9 97.8 79.1 8.4 43.7 23.7 25.9 57 57 A V B < +C 16 0B 70 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.995 43.1 176.1-130.7 136.1 46.0 20.7 26.4 58 58 A I - 0 0 4 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.846 28.3-108.2-130.2 167.0 45.0 17.0 26.8 59 59 A T > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.469 32.9-107.8 -90.2 168.2 46.8 13.7 27.1 60 60 A K H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 121.8 52.7 -60.7 -43.0 46.9 11.0 24.5 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 109.7 48.8 -58.9 -43.8 44.6 8.8 26.6 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 110.6 50.4 -62.9 -43.8 42.1 11.7 26.8 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.924 110.8 49.8 -58.0 -44.7 42.3 12.2 23.0 64 64 A E H X S+ 0 0 78 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.839 107.5 54.8 -65.1 -32.6 41.7 8.5 22.4 65 65 A K H X S+ 0 0 130 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.951 109.6 45.1 -65.8 -49.3 38.7 8.6 24.8 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.888 112.7 54.4 -58.9 -39.0 37.0 11.5 22.8 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.939 106.9 48.8 -60.6 -49.3 37.9 9.5 19.6 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.926 113.4 47.5 -57.7 -46.2 36.2 6.3 20.8 69 69 A Q H X S+ 0 0 94 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.910 112.5 50.0 -62.1 -40.6 33.1 8.4 21.7 70 70 A D H X S+ 0 0 35 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.855 111.0 47.2 -67.8 -39.3 33.1 10.1 18.3 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.952 113.7 48.9 -65.5 -47.9 33.4 6.9 16.3 72 72 A D H X S+ 0 0 96 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.925 111.2 51.0 -55.4 -47.3 30.6 5.4 18.4 73 73 A A H X S+ 0 0 35 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.873 108.6 50.8 -58.9 -41.4 28.5 8.6 17.8 74 74 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.934 114.4 43.5 -63.7 -46.8 29.1 8.4 14.0 75 75 A V H X S+ 0 0 33 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.947 114.5 50.0 -61.0 -49.9 28.0 4.8 13.9 76 76 A R H X S+ 0 0 99 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.880 110.8 51.1 -55.3 -42.8 25.0 5.5 16.3 77 77 A G H X S+ 0 0 9 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.870 107.4 51.6 -64.3 -43.4 24.0 8.4 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 7,-0.5 0.943 110.3 49.5 -58.3 -49.5 24.1 6.3 10.8 79 79 A L H 3< S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.782 111.9 47.9 -64.3 -28.4 21.8 3.7 12.5 80 80 A R H 3< S+ 0 0 188 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.2 0.518 93.6 92.9 -88.1 -8.1 19.3 6.3 13.7 81 81 A N S+ 0 0 134 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.860 119.6 41.1 -87.0 -40.2 18.5 7.7 4.8 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.6 1,-0.1 3,-0.2 0.872 102.4 66.5 -79.3 -37.5 21.8 6.4 6.1 85 85 A K H X S+ 0 0 84 -4,-2.9 4,-3.0 -7,-0.5 5,-0.2 0.909 100.5 47.2 -55.3 -52.5 20.7 3.2 7.8 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.867 114.7 48.4 -58.6 -35.5 19.5 1.2 4.7 87 87 A V H X S+ 0 0 2 -4,-0.7 4,-0.9 -3,-0.2 3,-0.4 0.966 113.0 46.7 -66.7 -50.9 22.7 2.1 2.8 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.934 111.5 52.0 -54.4 -49.7 24.9 1.1 5.7 89 89 A D H 3< S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 107.3 53.7 -59.2 -31.2 23.0 -2.2 6.2 90 90 A S H 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.651 97.5 87.5 -78.4 -16.6 23.5 -3.0 2.5 91 91 A L S << S- 0 0 5 -3,-1.3 2,-0.1 -4,-0.9 31,-0.0 -0.477 76.4-116.8 -90.8 157.2 27.3 -2.6 2.6 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.314 45.0 -94.6 -74.8 167.7 30.2 -4.9 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.815 122.9 51.6 -59.8 -35.8 32.4 -4.1 6.4 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.950 113.4 43.7 -68.1 -48.9 35.1 -2.1 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.844 107.8 60.0 -66.3 -32.6 32.5 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 103.5 52.4 -56.3 -44.3 30.7 0.6 6.1 97 97 A A H X S+ 0 0 5 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.887 105.6 54.2 -59.3 -41.4 34.0 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.909 109.2 47.8 -61.3 -40.8 34.0 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.888 110.6 50.7 -65.7 -41.3 30.5 5.7 5.3 100 100 A I H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.920 107.4 55.8 -61.5 -43.1 31.4 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 108.3 46.8 -53.8 -51.8 34.5 8.1 7.8 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.915 113.1 48.7 -57.6 -46.5 32.2 10.6 5.9 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.900 109.0 53.5 -61.6 -42.6 29.8 10.9 8.9 104 104 A F H < S+ 0 0 30 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.923 116.6 39.4 -56.6 -46.7 32.7 11.5 11.3 105 105 A Q H < S+ 0 0 54 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.927 133.9 16.1 -72.3 -46.9 34.0 14.4 9.0 106 106 A M H < S- 0 0 54 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.515 103.9-111.7-111.0 -6.4 30.8 16.1 7.9 107 107 A G X - 0 0 31 -4,-2.5 4,-2.2 -5,-0.4 5,-0.2 0.096 33.3 -78.4 89.8 154.9 28.0 14.9 10.3 108 108 A E H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 128.3 47.5 -51.9 -57.0 24.9 12.7 9.9 109 109 A T H > S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.891 110.7 53.4 -56.3 -42.3 22.7 15.4 8.2 110 110 A G H >4 S+ 0 0 34 -4,-0.4 3,-0.8 1,-0.2 4,-0.3 0.949 113.6 39.7 -59.0 -53.6 25.5 16.3 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.883 108.1 62.9 -66.6 -36.4 26.1 12.8 4.5 112 112 A A H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.752 95.3 63.5 -60.1 -23.2 22.3 12.1 4.4 113 113 A G T << S+ 0 0 52 -4,-1.0 2,-2.1 -3,-0.8 -1,-0.3 0.596 74.2 91.1 -76.3 -14.2 22.1 14.9 1.8 114 114 A F <> + 0 0 43 -3,-2.0 4,-2.8 -4,-0.3 5,-0.2 -0.306 53.5 159.5 -78.7 53.5 24.2 13.0 -0.7 115 115 A T H > + 0 0 82 -2,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.848 66.2 44.5 -47.1 -51.2 21.0 11.5 -2.1 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.912 115.3 46.9 -66.5 -43.7 22.3 10.4 -5.6 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 111.0 53.1 -61.8 -44.8 25.6 9.0 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.899 108.5 49.8 -58.5 -41.9 23.7 7.0 -1.6 119 119 A R H X S+ 0 0 108 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.927 110.4 49.5 -64.9 -45.5 21.4 5.5 -4.1 120 120 A M H <>S+ 0 0 25 -4,-2.1 5,-2.6 1,-0.2 4,-0.4 0.893 111.6 49.5 -60.8 -38.7 24.3 4.4 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.923 109.8 50.6 -63.6 -45.4 26.0 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.840 111.0 49.7 -59.7 -35.4 22.7 1.0 -2.4 123 123 A Q T 3<5S- 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.477 111.5-123.9 -80.9 -7.5 22.6 -0.2 -6.0 124 124 A K T < 5 + 0 0 99 -3,-1.3 2,-1.2 -4,-0.4 -3,-0.2 0.831 61.0 147.9 60.9 36.8 26.3 -1.4 -5.8 125 125 A R >< + 0 0 126 -5,-2.6 4,-2.8 1,-0.2 -1,-0.2 -0.691 21.4 174.7 -97.2 76.4 27.1 0.8 -8.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.863 69.3 43.3 -58.4 -50.7 30.6 1.4 -7.4 127 127 A D H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 116.7 48.5 -63.8 -42.4 32.3 3.3 -10.2 128 128 A E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.901 111.8 49.5 -62.1 -45.4 29.2 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.927 110.2 51.3 -58.6 -46.7 29.0 6.2 -7.0 130 130 A A H X S+ 0 0 10 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.889 110.4 48.6 -59.4 -42.6 32.7 7.1 -7.0 131 131 A C H < S+ 0 0 74 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.898 113.5 47.1 -64.5 -42.0 32.2 9.5 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.889 105.7 58.2 -69.3 -41.1 29.2 11.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.790 99.7 59.1 -58.1 -31.3 30.8 11.5 -4.8 134 134 A A T 3< S+ 0 0 30 -4,-1.1 2,-1.7 -3,-0.3 -1,-0.3 0.610 83.5 82.9 -75.9 -14.1 33.6 13.6 -6.3 135 135 A K S < S+ 0 0 158 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 -0.521 81.1 98.4 -88.0 66.3 31.1 16.2 -7.5 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.994 85.6-118.6-154.7 154.0 31.1 17.9 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.905 115.8 62.6 -57.0 -41.4 32.4 20.7 -2.0 138 138 A W H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.933 105.8 41.8 -47.0 -56.3 33.8 17.8 0.2 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.4 50.0 -62.1 -47.1 36.0 16.5 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.8 41.0 -63.1 -37.2 37.2 20.0 -3.7 141 141 A Q H < S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 133.0 21.0 -81.3 -35.0 38.1 21.2 -0.2 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.530 74.5 158.8-130.6 69.2 39.8 17.9 1.0 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.846 70.6 51.0 -66.9 -36.8 40.7 16.1 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.943 116.7 40.5 -67.4 -44.1 43.4 13.8 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 116.0 50.5 -67.3 -45.9 41.2 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 -8,-0.2 5,-0.2 0.912 107.5 54.9 -59.3 -41.6 38.1 12.4 -0.3 147 147 A K H X S+ 0 0 99 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.901 108.5 48.5 -57.3 -42.8 40.1 10.4 -2.9 148 148 A R H X S+ 0 0 55 -4,-1.7 4,-1.9 2,-0.2 12,-0.2 0.936 113.9 45.2 -62.2 -47.2 41.0 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 114.4 48.9 -64.7 -43.0 37.4 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.890 108.8 52.8 -65.2 -40.9 36.1 7.2 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.6 4,-2.7 -5,-0.2 5,-0.4 0.892 107.4 53.4 -60.7 -38.1 38.6 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.924 111.9 44.1 -63.8 -45.7 37.4 2.6 -0.5 153 153 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.863 115.3 49.1 -64.9 -38.6 33.8 2.8 -1.7 154 154 A R H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.917 126.1 23.3 -67.6 -42.9 34.8 2.0 -5.3 155 155 A T H < S- 0 0 38 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.692 85.5-135.8 -98.6 -25.5 37.0 -1.1 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.4 -62,-0.2 0.767 73.7 105.7 68.2 24.2 35.8 -2.4 -1.2 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.3 -0.815 81.1-120.7-126.0 169.6 39.5 -2.8 -0.2 158 158 A W S >> S+ 0 0 39 -2,-0.3 3,-2.3 1,-0.2 4,-1.2 0.125 70.4 124.4 -96.0 20.4 41.8 -0.8 2.0 159 159 A D T 34 + 0 0 117 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.820 67.9 56.7 -49.7 -40.5 44.2 -0.1 -0.9 160 160 A A T 34 S+ 0 0 22 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.598 116.3 36.7 -69.1 -11.5 44.1 3.7 -0.3 161 161 A Y T X4 S+ 0 0 1 -3,-2.3 3,-1.3 -13,-0.1 -2,-0.2 0.524 88.0 90.3-118.5 -10.5 45.3 3.3 3.3 162 162 A K T 3< S+ 0 0 131 -4,-1.2 -2,-0.1 -3,-0.3 -3,-0.1 0.728 91.8 43.0 -67.7 -23.9 47.8 0.4 3.4 163 163 A N T 3 0 0 160 -4,-0.4 -1,-0.3 0, 0.0 -2,-0.1 0.300 360.0 360.0-100.2 10.7 51.0 2.5 2.8 164 164 A L < 0 0 123 -3,-1.3 -155,-0.1 0, 0.0 -3,-0.1 -0.534 360.0 360.0-109.1 360.0 49.9 5.2 5.3