==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-05 1ZWN . 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) . 8950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 1 0.6 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 . 86 52.4 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 0 1 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 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 63 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.3 52.8 15.4 39.1 2 2 A N > - 0 0 66 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.921 360.0 -82.0-160.4 173.1 50.4 17.8 37.3 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.849 126.4 50.5 -54.6 -40.7 46.6 18.0 36.7 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.948 114.7 42.3 -63.5 -49.3 46.7 15.6 33.7 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.870 115.1 52.0 -65.1 -37.7 48.6 12.9 35.7 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.949 113.5 41.7 -62.2 -54.4 46.5 13.6 38.8 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.860 109.8 59.1 -66.3 -36.3 43.2 13.1 36.9 8 8 A R H X S+ 0 0 103 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.906 108.8 45.4 -57.6 -42.7 44.6 10.1 35.0 9 9 A I H < S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.956 117.8 43.6 -61.1 -51.6 45.1 8.4 38.4 10 10 A D H < S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.801 124.2 32.5 -67.2 -32.5 41.7 9.4 39.7 11 11 A E H < S- 0 0 39 -4,-3.0 19,-0.5 1,-0.2 -1,-0.2 0.657 92.0-152.8-101.6 -20.9 39.7 8.6 36.5 12 12 A G < - 0 0 24 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.2 -0.194 23.5 -87.9 74.8-173.2 41.6 5.6 35.1 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.935 45.4 165.0-143.3 117.6 41.6 4.8 31.3 14 14 A R E -A 28 0A 142 14,-1.7 14,-2.7 -2,-0.4 4,-0.1 -0.999 21.8-161.2-134.8 127.2 39.0 2.6 29.7 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.8 12,-0.2 2,-0.3 0.473 74.0 63.9 -90.9 -2.9 38.6 2.4 25.9 16 16 A K E S-C 57 0B 143 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.905 100.9 -87.2-120.2 147.1 35.1 0.9 25.9 17 17 A I E + 0 0 24 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.294 58.9 166.3 -53.7 131.5 31.9 2.6 27.2 18 18 A Y E -A 26 0A 26 8,-2.7 8,-3.1 6,-0.1 2,-0.5 -0.919 39.2-100.5-143.0 164.9 31.5 1.7 30.9 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.823 36.0-141.7 -95.2 129.1 29.5 3.0 33.9 20 20 A D > - 0 0 44 4,-2.9 3,-1.8 -2,-0.5 -1,-0.1 0.079 42.9 -74.4 -70.5-170.7 31.2 5.4 36.3 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.732 135.6 49.0 -63.2 -25.1 30.8 5.5 40.1 22 22 A E T 3 S- 0 0 69 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.369 122.7-104.7 -93.5 1.0 27.4 7.0 39.8 23 23 A G S < S+ 0 0 38 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.649 75.4 141.3 83.3 18.7 26.3 4.4 37.2 24 24 A Y - 0 0 77 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.773 60.8-101.8 -99.1 137.4 26.6 6.8 34.2 25 25 A Y E +A 19 0A 36 9,-0.4 8,-2.6 11,-0.4 9,-1.2 -0.363 54.9 161.5 -60.7 128.2 27.9 5.9 30.8 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.7 6,-0.2 2,-0.3 -0.859 18.7-168.0-142.4 163.3 31.5 7.1 30.5 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.4 -2,-0.3 -12,-0.2 -0.979 51.0 2.2-153.3 160.3 34.6 6.4 28.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.7 -2,-0.3 2,-1.0 -0.415 124.3 -4.8 72.2-130.4 38.3 7.2 28.2 29 29 A I T 4 S- 0 0 6 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.2 -0.674 129.1 -54.1-101.2 75.0 39.7 9.1 31.1 30 30 A G T 4 S+ 0 0 11 -2,-1.0 2,-1.1 -19,-0.5 -2,-0.2 0.824 81.2 165.3 59.9 34.8 36.5 9.9 32.9 31 31 A H E < -B 27 0A 28 -4,-2.4 -4,-1.5 -20,-0.1 2,-0.2 -0.731 30.7-143.0 -84.1 102.7 34.7 11.4 30.0 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.452 19.1-175.7 -64.1 127.4 31.0 11.5 31.0 33 33 A L - 0 0 13 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.896 57.5 -35.4 -91.4 -48.1 28.8 10.7 28.0 34 34 A T - 0 0 35 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.959 35.0-128.7-169.7 157.5 25.3 11.1 29.4 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.451 75.4 117.2 -92.2 -4.6 23.2 10.6 32.6 36 36 A S - 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.356 68.1-138.6 -60.8 136.2 20.6 8.7 30.4 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.471 76.6 104.6 -75.3 1.5 20.1 5.0 31.2 38 38 A S > - 0 0 50 1,-0.2 4,-2.1 -13,-0.0 3,-0.1 -0.755 57.5-162.5 -88.5 116.7 20.0 4.4 27.4 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.863 95.6 56.4 -60.9 -37.5 23.2 2.8 26.0 40 40 A N H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 105.2 50.5 -61.7 -39.2 22.1 4.0 22.6 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.905 111.3 49.2 -62.8 -44.3 21.9 7.6 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.908 110.1 50.2 -61.3 -44.4 25.5 7.1 25.2 43 43 A K H X S+ 0 0 78 -4,-2.7 4,-2.7 2,-0.2 11,-0.2 0.895 109.6 51.6 -62.3 -40.8 26.7 5.7 21.9 44 44 A S H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.911 109.8 49.3 -61.9 -43.0 25.2 8.7 20.1 45 45 A E H X S+ 0 0 67 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 111.4 50.5 -59.5 -42.8 27.0 11.1 22.5 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.950 108.9 49.6 -61.2 -50.9 30.2 9.2 21.8 47 47 A D H X>S+ 0 0 38 -4,-2.7 4,-2.5 1,-0.2 5,-1.2 0.895 113.3 46.9 -55.6 -46.0 29.9 9.4 18.0 48 48 A K H <5S+ 0 0 145 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.883 112.4 50.4 -61.3 -43.3 29.2 13.1 18.2 49 49 A A H <5S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 119.8 34.9 -62.7 -43.4 32.2 13.7 20.6 50 50 A I H <5S- 0 0 38 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.755 104.0-124.5 -83.5 -31.5 34.7 11.7 18.4 51 51 A G T <5S+ 0 0 69 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.735 77.7 76.2 87.9 26.3 33.3 12.7 15.0 52 52 A R S - 0 0 70 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.476 33.3-107.7 -89.0 166.2 41.6 4.5 20.7 60 60 A K H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 122.4 53.2 -58.5 -43.2 44.0 5.7 23.4 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 109.4 47.9 -58.5 -45.3 44.7 8.8 21.2 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 111.0 51.2 -62.3 -41.7 40.9 9.6 21.0 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -34,-0.5 0.915 111.4 47.6 -60.0 -45.4 40.6 9.1 24.8 64 64 A E H X S+ 0 0 88 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.821 108.0 56.6 -67.0 -33.6 43.5 11.5 25.4 65 65 A K H X S+ 0 0 139 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.952 109.8 43.6 -61.6 -51.5 41.9 14.0 22.9 66 66 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.858 111.9 56.2 -58.6 -37.5 38.6 14.1 24.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.932 106.3 48.7 -61.4 -48.4 40.7 14.3 28.2 68 68 A N H X S+ 0 0 93 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 112.7 48.4 -56.1 -49.3 42.5 17.4 26.9 69 69 A Q H X S+ 0 0 93 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.903 112.0 49.9 -57.3 -42.6 39.2 19.0 26.0 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.879 110.5 47.7 -68.5 -41.2 37.7 18.1 29.4 71 71 A V H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.950 114.2 48.1 -62.2 -50.1 40.6 19.6 31.4 72 72 A D H X S+ 0 0 91 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.910 110.6 51.7 -54.8 -47.4 40.4 22.8 29.3 73 73 A A H X S+ 0 0 38 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.864 108.8 51.4 -59.1 -38.3 36.6 22.9 29.8 74 74 A A H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 113.1 44.0 -64.9 -47.4 37.1 22.6 33.7 75 75 A V H X S+ 0 0 33 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.942 114.5 49.2 -60.8 -49.4 39.6 25.4 33.7 76 76 A R H X S+ 0 0 140 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.894 110.5 52.4 -56.7 -44.0 37.4 27.5 31.4 77 77 A G H X S+ 0 0 7 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.859 110.5 46.9 -60.0 -42.6 34.4 26.8 33.7 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 7,-0.4 0.947 112.4 49.3 -62.7 -52.1 36.4 27.9 36.8 79 79 A L H 3< S+ 0 0 72 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.772 112.7 46.9 -63.9 -28.5 37.6 31.1 35.1 80 80 A R H 3< S+ 0 0 185 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.592 94.7 92.5 -87.4 -12.3 34.0 32.1 33.9 81 81 A N S+ 0 0 145 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.862 119.7 39.8 -86.4 -41.6 32.4 32.1 42.7 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.7 2,-0.2 5,-0.2 0.835 102.2 67.1 -81.2 -35.9 35.2 29.9 41.5 85 85 A K H X S+ 0 0 90 -4,-2.4 4,-3.0 -7,-0.4 5,-0.2 0.923 101.4 47.0 -54.5 -53.3 37.5 32.4 39.8 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.863 113.9 48.7 -60.9 -33.7 38.5 34.4 42.9 87 87 A V H X S+ 0 0 5 -4,-0.7 4,-0.8 2,-0.2 3,-0.4 0.970 113.4 46.7 -66.3 -51.6 39.3 31.1 44.8 88 88 A Y H >< S+ 0 0 36 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.909 111.5 51.5 -53.9 -47.9 41.3 29.8 41.9 89 89 A D H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 108.2 53.2 -59.4 -33.4 43.2 33.1 41.5 90 90 A S H 3< S+ 0 0 31 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.617 97.8 87.3 -78.1 -15.1 44.0 33.0 45.3 91 91 A L S << S- 0 0 5 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.502 75.7-117.9 -91.2 155.6 45.6 29.5 45.2 92 92 A D > - 0 0 53 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.332 44.6 -93.6 -74.7 168.1 49.0 28.2 44.5 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.808 123.4 51.0 -56.3 -37.7 49.6 25.8 41.4 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.4 62,-0.2 -1,-0.2 0.949 113.5 43.4 -67.8 -49.5 49.1 22.6 43.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.837 107.5 60.7 -66.2 -33.9 45.8 23.6 45.0 96 96 A R H X S+ 0 0 80 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.919 103.7 51.6 -56.0 -44.8 44.6 25.0 41.7 97 97 A A H X S+ 0 0 6 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.879 106.5 53.3 -59.4 -40.1 45.0 21.4 40.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.902 110.3 47.5 -63.7 -39.5 42.9 20.2 43.3 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 110.9 50.2 -66.9 -43.4 40.1 22.7 42.4 100 100 A I H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.908 108.0 56.1 -57.7 -43.2 40.3 21.7 38.7 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.940 107.5 46.5 -53.9 -54.3 40.0 18.0 39.8 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.887 113.1 49.5 -55.9 -45.3 36.7 18.8 41.7 103 103 A V H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.890 108.0 54.2 -62.6 -42.3 35.3 20.7 38.7 104 104 A F H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.913 115.9 39.6 -56.0 -45.3 36.2 17.8 36.4 105 105 A Q H < S+ 0 0 53 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 133.8 15.9 -76.3 -42.4 34.3 15.4 38.6 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.483 104.1-114.7-115.8 -5.7 31.2 17.4 39.6 107 107 A G H X - 0 0 31 -4,-2.3 4,-2.2 -5,-0.4 5,-0.3 0.157 33.4 -75.4 86.1 155.5 31.0 20.3 37.2 108 108 A E H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 128.8 48.2 -49.7 -55.1 31.3 24.1 37.6 109 109 A T H > S+ 0 0 118 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.890 110.6 51.7 -57.7 -44.2 27.8 24.6 39.1 110 110 A G H >< S+ 0 0 35 -4,-0.5 3,-0.5 1,-0.2 4,-0.2 0.933 115.1 39.9 -59.3 -52.7 28.3 21.8 41.7 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.875 108.4 61.3 -66.6 -41.0 31.7 23.1 43.0 112 112 A A H 3< S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 97.3 63.2 -56.5 -26.7 30.5 26.7 42.9 113 113 A G T << S+ 0 0 52 -4,-1.1 2,-2.2 -3,-0.5 -1,-0.3 0.608 73.8 91.6 -73.6 -15.3 27.9 25.6 45.4 114 114 A F <> + 0 0 47 -3,-2.0 4,-2.7 -4,-0.2 5,-0.2 -0.367 53.2 160.9 -77.5 57.2 30.5 24.7 48.1 115 115 A T H > + 0 0 79 -2,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.840 67.1 43.8 -51.6 -48.0 30.2 28.2 49.5 116 116 A N H > S+ 0 0 89 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 115.4 47.9 -68.5 -42.0 31.6 27.6 53.0 117 117 A S H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.898 111.0 52.0 -63.6 -45.1 34.5 25.4 51.7 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.892 108.1 51.7 -58.6 -45.2 35.4 28.0 49.1 119 119 A R H X S+ 0 0 126 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.942 110.1 48.1 -57.9 -49.9 35.5 30.7 51.7 120 120 A M H <>S+ 0 0 39 -4,-2.1 5,-2.6 1,-0.2 4,-0.5 0.879 111.8 50.5 -60.4 -39.7 37.9 28.7 54.0 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.2 2,-0.2 -1,-0.2 0.922 110.5 48.4 -60.6 -46.8 40.1 28.0 50.9 122 122 A Q H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.837 111.9 50.9 -61.7 -34.6 40.2 31.7 50.0 123 123 A Q T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.574 110.7-127.2 -76.5 -12.5 41.0 32.4 53.7 124 124 A K T < 5 + 0 0 95 -3,-1.2 2,-1.2 -4,-0.5 -3,-0.2 0.815 59.3 147.3 62.2 36.6 43.9 29.8 53.5 125 125 A R >< + 0 0 125 -5,-2.6 4,-3.1 1,-0.2 5,-0.2 -0.706 21.9 175.7 -97.8 76.7 42.5 27.9 56.5 126 126 A W H > S+ 0 0 48 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.837 70.5 43.4 -60.4 -47.3 43.6 24.6 55.1 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 117.2 48.1 -65.6 -41.9 42.8 22.2 58.0 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 112.8 48.2 -63.2 -45.5 39.4 23.9 58.4 129 129 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.907 110.4 52.8 -57.8 -46.0 38.7 23.8 54.7 130 130 A A H X S+ 0 0 9 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.883 110.8 45.5 -60.7 -44.4 39.7 20.1 54.6 131 131 A C H < S+ 0 0 81 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.903 113.9 49.8 -64.1 -43.7 37.3 19.1 57.4 132 132 A N H >< S+ 0 0 36 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.878 106.5 54.7 -65.5 -40.0 34.5 21.1 55.8 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.825 101.0 60.4 -61.2 -34.7 35.0 19.5 52.4 134 134 A A T 3< S+ 0 0 31 -4,-1.2 2,-1.6 1,-0.2 -1,-0.2 0.642 84.8 80.3 -69.1 -18.1 34.6 16.0 53.9 135 135 A K S < S+ 0 0 166 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.487 82.3 98.0 -87.5 63.6 31.1 16.9 55.1 136 136 A S S > S- 0 0 19 -2,-1.6 4,-2.4 1,-0.1 5,-0.1 -0.986 85.2-118.8-150.8 154.9 29.7 16.2 51.6 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.895 116.7 61.3 -56.8 -41.3 27.9 13.7 49.4 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.927 107.2 41.5 -49.9 -54.7 31.1 13.9 47.3 139 139 A Y H 4 S+ 0 0 72 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.936 115.9 49.8 -63.2 -49.0 33.3 12.7 50.1 140 140 A N H < S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 115.1 41.8 -60.1 -39.6 30.9 10.0 51.2 141 141 A Q H < S+ 0 0 111 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.859 132.2 21.5 -79.3 -36.5 30.3 8.5 47.7 142 142 A T S X S+ 0 0 18 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.3 -0.614 74.4 159.7-127.9 71.0 34.0 8.6 46.6 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.859 71.0 49.3 -69.3 -35.6 36.0 8.8 49.8 144 144 A N H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.935 117.2 41.6 -67.3 -45.5 39.4 7.6 48.6 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 116.5 48.5 -64.5 -47.6 39.4 10.0 45.7 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.903 108.0 55.6 -60.9 -40.8 38.0 12.9 47.8 147 147 A K H X S+ 0 0 125 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.892 108.4 48.7 -56.5 -43.7 40.6 12.1 50.5 148 148 A R H X S+ 0 0 50 -4,-1.8 4,-1.7 2,-0.2 12,-0.2 0.924 114.0 44.5 -62.0 -46.5 43.4 12.6 47.9 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 114.7 49.4 -63.4 -46.2 41.9 15.9 46.6 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.892 108.7 52.0 -60.9 -46.1 41.4 17.1 50.2 151 151 A T H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.866 107.6 54.3 -57.5 -38.5 44.9 16.2 51.2 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.922 111.7 42.9 -63.7 -44.1 46.1 18.2 48.2 153 153 A F H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.856 115.4 50.6 -67.8 -36.3 44.1 21.2 49.5 154 154 A R H < S+ 0 0 110 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.934 126.4 20.6 -68.2 -45.5 45.3 20.7 53.1 155 155 A T H < S- 0 0 41 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.693 84.8-135.1 -97.8 -27.7 49.1 20.4 52.3 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.4 -62,-0.2 0.731 74.1 106.5 68.9 23.0 49.6 22.0 48.9 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.799 80.4-122.5-123.1 167.1 51.8 19.0 48.1 158 158 A W S >> S+ 0 0 39 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.132 70.8 122.6 -94.5 18.1 51.3 16.0 45.8 159 159 A D G >4 + 0 0 113 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.812 68.1 58.8 -51.7 -37.3 51.9 13.5 48.7 160 160 A A G 34 S+ 0 0 21 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.682 111.9 41.8 -67.0 -18.4 48.4 11.9 48.2 161 161 A Y G X4 S+ 0 0 0 -3,-2.1 3,-0.6 -13,-0.1 -1,-0.2 0.401 89.7 89.6-108.8 0.8 49.5 11.0 44.6 162 162 A K T << S+ 0 0 126 -3,-0.9 -2,-0.1 -4,-0.5 -3,-0.1 0.820 87.7 45.6 -72.7 -36.6 53.1 9.8 45.1 163 163 A N T 3 0 0 161 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.390 360.0 360.0 -83.3 4.2 52.6 6.1 45.8 164 164 A L < 0 0 117 -3,-0.6 -155,-0.1 0, 0.0 -3,-0.1 -0.663 360.0 360.0-116.7 360.0 50.2 6.0 42.8