==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-03 1P6Y . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.MOOERS,D.DATTA,W.A.BAASE,E.S.ZOLLARS,S.L.MAYO, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8544.0 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 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.6 43.2 -1.7 8.6 2 2 A N > - 0 0 70 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.899 360.0 -84.8-156.6 171.7 39.9 -0.7 10.5 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.828 126.0 51.9 -55.5 -37.9 37.8 2.4 11.0 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.951 112.9 42.8 -66.4 -47.8 39.9 3.5 13.9 5 5 A E H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.873 114.7 53.0 -65.4 -33.9 43.1 3.2 12.0 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.956 112.1 41.2 -65.9 -52.8 41.6 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.852 110.2 58.9 -66.8 -30.8 40.3 7.8 10.7 8 8 A R H X S+ 0 0 102 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.896 109.2 46.4 -63.3 -34.9 43.5 8.2 12.7 9 9 A I H < S+ 0 0 46 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.945 116.8 43.8 -69.4 -48.1 45.3 8.4 9.3 10 10 A D H < S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.787 124.1 32.4 -69.2 -28.5 42.7 10.9 8.0 11 11 A E H < S- 0 0 40 -4,-2.7 19,-0.5 -5,-0.2 -1,-0.2 0.618 92.1-151.4-106.0 -13.2 42.5 13.1 11.1 12 12 A G < - 0 0 24 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.1 -0.158 23.1 -89.0 71.1-174.3 46.0 13.0 12.6 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.952 45.1 164.8-141.7 118.9 46.7 13.4 16.4 14 14 A R E -A 28 0A 143 14,-1.6 14,-2.5 -2,-0.3 4,-0.1 -0.999 21.8-160.6-136.3 130.1 47.4 16.8 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.7 12,-0.2 2,-0.4 0.480 73.6 63.2 -93.0 -0.1 47.3 17.2 21.9 16 16 A K E S-C 57 0B 95 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.917 100.9 -85.6-122.5 150.6 46.9 20.9 21.9 17 17 A I E + 0 0 7 39,-2.1 2,-0.3 -2,-0.4 10,-0.2 -0.220 59.6 161.4 -52.7 132.2 44.0 22.9 20.5 18 18 A Y E -A 26 0A 29 8,-2.9 8,-3.1 -4,-0.1 2,-0.4 -0.873 40.0 -95.7-144.1 176.7 44.5 23.6 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.875 33.4-140.3-102.6 133.6 42.4 24.6 13.8 20 20 A D > - 0 0 45 4,-2.9 3,-2.0 -2,-0.4 -1,-0.1 0.049 43.3 -77.7 -74.7-170.8 40.9 22.0 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.734 133.7 50.3 -63.8 -23.0 40.7 22.4 7.6 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.361 123.0-103.3 -93.2 0.6 37.8 24.6 8.0 23 23 A G S < S+ 0 0 38 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.562 75.6 138.6 90.3 10.2 39.4 26.9 10.5 24 24 A Y - 0 0 61 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.700 61.1-102.9 -99.0 143.5 37.6 25.4 13.5 25 25 A Y E +A 19 0A 34 9,-0.5 8,-2.8 11,-0.5 9,-1.2 -0.323 54.4 157.1 -59.0 132.0 39.1 24.7 16.9 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.9 6,-0.3 2,-0.3 -0.927 19.8-168.1-147.7 168.0 39.7 21.0 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.3 -2,-0.3 2,-0.2 -0.977 51.5 9.8-153.8 167.7 41.9 18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.9 -0.440 122.5 -9.3 69.7-135.5 42.9 15.1 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.724 128.7 -50.4-102.5 76.0 42.0 12.8 16.6 30 30 A G T 4 S+ 0 0 12 -2,-0.9 2,-1.1 -19,-0.5 -2,-0.2 0.841 83.3 162.2 66.0 32.2 39.7 15.2 14.8 31 31 A H E < -B 27 0A 31 -4,-2.3 -4,-1.7 -20,-0.1 -1,-0.2 -0.706 30.6-146.2 -90.1 103.3 37.6 16.1 17.8 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.474 16.9-175.4 -65.3 130.4 35.8 19.3 16.8 33 33 A L - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.854 58.3 -35.3 -95.2 -39.6 35.3 21.6 19.8 34 34 A T - 0 0 31 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.955 36.4-124.8-175.0 158.4 33.2 24.4 18.3 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.473 76.0 115.9 -92.2 -2.0 32.7 26.5 15.2 36 36 A S - 0 0 38 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.356 68.0-138.5 -68.3 143.2 33.2 29.6 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.428 77.2 105.5 -81.4 1.6 36.1 31.9 16.6 38 38 A S > - 0 0 47 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.741 54.6-166.8 -91.1 112.5 36.5 32.2 20.3 39 39 A L H > S+ 0 0 55 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.877 93.1 56.8 -63.0 -33.8 39.4 30.2 21.7 40 40 A N H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.946 106.0 50.7 -62.5 -41.1 38.0 30.7 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 109.0 50.1 -59.1 -46.1 34.9 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 110.1 51.5 -60.4 -40.6 36.8 26.2 22.5 43 43 A K H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 11,-0.3 0.892 107.0 52.6 -64.4 -39.4 38.6 25.8 25.8 44 44 A S H X S+ 0 0 70 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.913 110.5 47.7 -62.5 -41.4 35.3 25.8 27.7 45 45 A E H X S+ 0 0 67 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.918 111.0 52.5 -65.3 -39.1 34.0 23.0 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.945 109.0 48.4 -61.8 -45.1 37.2 21.0 25.9 47 47 A D H X>S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 5,-1.1 0.893 113.2 47.8 -62.2 -39.7 37.1 21.2 29.6 48 48 A K H <5S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.6 49.8 -67.1 -40.8 33.5 20.1 29.5 49 49 A A H <5S+ 0 0 42 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.904 120.3 33.9 -64.3 -41.3 34.3 17.3 27.2 50 50 A I H <5S- 0 0 34 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.726 103.4-124.2 -87.3 -28.8 37.2 16.0 29.3 51 51 A G T <5S+ 0 0 66 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.764 76.0 75.4 90.2 22.0 35.9 16.7 32.7 52 52 A R S - 0 0 12 -2,-1.1 3,-1.1 -11,-0.3 -1,-0.2 0.628 36.5-141.0 -95.4 -15.8 42.7 21.8 31.0 55 55 A N T 3 S- 0 0 117 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.944 74.4 -60.7 57.0 38.3 44.1 25.0 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-2.1 1,-0.1 2,-0.4 0.470 112.5 97.8 65.6 10.1 44.0 23.6 26.0 57 57 A V B < +C 16 0B 76 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.990 44.5 178.4-129.0 137.6 46.3 20.5 26.3 58 58 A I - 0 0 4 -43,-2.7 2,-0.1 -2,-0.4 -30,-0.1 -0.825 27.3-107.3-130.0 170.6 45.2 16.9 26.8 59 59 A T > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.444 33.8-105.9 -92.8 170.3 47.0 13.6 27.0 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 121.2 53.2 -60.7 -42.1 47.1 10.8 24.4 61 61 A D H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 109.4 48.6 -59.2 -44.4 44.7 8.7 26.5 62 62 A E H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 110.4 51.0 -61.1 -44.7 42.3 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -34,-0.4 0.905 110.6 49.3 -58.3 -42.7 42.5 12.1 23.0 64 64 A E H X S+ 0 0 85 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.863 106.7 56.9 -67.5 -33.0 41.8 8.4 22.4 65 65 A K H X S+ 0 0 133 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.965 108.9 43.6 -63.2 -48.9 38.8 8.6 24.8 66 66 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.899 113.3 54.6 -62.5 -35.5 37.1 11.3 22.8 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.944 106.8 48.9 -63.6 -47.4 38.0 9.5 19.6 68 68 A N H X S+ 0 0 93 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.952 113.6 48.3 -55.8 -46.4 36.4 6.3 20.7 69 69 A Q H X S+ 0 0 96 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 112.1 49.1 -60.4 -42.1 33.3 8.4 21.7 70 70 A D H X S+ 0 0 35 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.881 110.4 48.9 -67.9 -36.3 33.3 10.2 18.3 71 71 A V H X S+ 0 0 5 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.941 112.9 48.7 -66.2 -45.3 33.5 7.0 16.3 72 72 A D H X S+ 0 0 85 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.935 110.4 51.2 -59.8 -42.5 30.7 5.4 18.4 73 73 A A H X S+ 0 0 39 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.859 107.4 53.1 -65.2 -32.6 28.6 8.6 17.8 74 74 A A H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.928 111.2 46.4 -67.6 -43.8 29.2 8.4 14.1 75 75 A V H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.955 112.9 49.4 -60.2 -49.1 28.0 4.8 14.0 76 76 A R H X S+ 0 0 123 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.884 107.7 55.0 -58.4 -36.4 25.0 5.7 16.2 77 77 A G H X S+ 0 0 2 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.904 108.1 48.0 -65.8 -40.0 24.2 8.6 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 7,-0.4 0.940 111.1 51.4 -63.8 -45.4 24.1 6.3 10.9 79 79 A L H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 111.7 46.3 -63.3 -29.0 21.9 3.8 12.6 80 80 A R H 3< S+ 0 0 159 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.546 94.3 94.1 -89.0 -16.0 19.4 6.4 13.7 81 81 A N S+ 0 0 126 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.823 118.8 40.7 -92.7 -34.6 18.5 7.7 5.0 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.9 -6,-0.2 5,-0.3 0.834 100.9 68.8 -83.4 -32.0 21.8 6.3 6.1 85 85 A K H X S+ 0 0 83 -4,-2.6 4,-3.5 -7,-0.4 5,-0.2 0.929 99.3 46.7 -53.3 -53.4 20.8 3.2 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.878 113.8 50.4 -60.8 -34.6 19.6 1.2 4.8 87 87 A V H X S+ 0 0 1 -4,-0.6 4,-0.7 2,-0.2 3,-0.3 0.975 112.7 45.1 -65.9 -50.7 22.7 2.2 3.0 88 88 A Y H >< S+ 0 0 36 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.918 111.7 52.6 -57.9 -45.8 25.0 1.1 5.8 89 89 A D H 3< S+ 0 0 74 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.842 106.9 54.1 -62.4 -30.7 23.1 -2.1 6.3 90 90 A S H 3< S+ 0 0 39 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.623 97.0 87.5 -78.0 -10.5 23.4 -2.9 2.6 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.7 31,-0.0 -0.555 75.8-117.1 -95.1 161.1 27.2 -2.5 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.182 45.5 -93.4 -76.3 172.7 30.2 -4.9 3.2 93 93 A A H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.866 121.5 50.6 -60.7 -39.1 32.5 -4.0 6.2 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.954 114.1 44.9 -66.6 -49.0 35.1 -2.0 4.3 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.876 107.6 58.1 -64.8 -33.7 32.5 0.2 2.7 96 96 A R H X S+ 0 0 80 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.931 103.5 54.0 -59.6 -42.1 30.7 0.6 5.9 97 97 A A H X S+ 0 0 6 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.907 104.6 55.5 -59.5 -39.4 33.9 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.927 108.7 47.2 -59.4 -42.3 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 -1,-0.2 0.905 109.8 51.6 -67.5 -39.1 30.5 5.8 5.3 100 100 A I H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.943 108.0 55.8 -60.7 -42.7 31.4 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.939 107.6 46.2 -52.9 -52.2 34.4 8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.922 112.4 50.8 -61.5 -41.6 32.3 10.6 6.0 103 103 A V H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.907 107.7 52.3 -64.7 -37.8 29.9 10.9 8.9 104 104 A F H < S+ 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.936 115.9 42.7 -61.7 -42.1 32.6 11.6 11.4 105 105 A Q H < S+ 0 0 55 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.944 133.7 14.5 -70.7 -47.2 33.9 14.3 9.1 106 106 A M H < S- 0 0 55 -4,-3.2 4,-0.4 -5,-0.2 -3,-0.2 0.545 103.4-110.5-112.6 -4.2 30.7 15.9 8.1 107 107 A G X - 0 0 32 -4,-2.9 4,-2.4 -5,-0.3 5,-0.3 0.249 34.0 -82.2 86.1 148.7 27.9 14.8 10.4 108 108 A E H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.932 126.4 51.4 -49.1 -54.6 25.0 12.6 9.9 109 109 A T H > S+ 0 0 118 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.902 108.7 51.0 -56.2 -41.0 22.8 15.3 8.5 110 110 A G H >4 S+ 0 0 33 -4,-0.4 3,-0.7 1,-0.2 4,-0.2 0.947 113.9 42.4 -65.4 -44.4 25.4 16.3 5.9 111 111 A V H >< S+ 0 0 2 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.894 105.3 64.4 -68.2 -34.9 26.0 12.8 4.6 112 112 A A H 3< S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.752 95.6 62.8 -58.6 -22.6 22.3 12.1 4.6 113 113 A G T << S+ 0 0 52 -4,-0.9 2,-2.5 -3,-0.7 -1,-0.3 0.605 72.6 92.8 -81.7 -8.5 22.0 14.8 2.0 114 114 A F <> + 0 0 45 -3,-2.3 4,-2.9 -4,-0.2 5,-0.3 -0.262 54.1 163.4 -81.3 59.8 24.1 13.1 -0.6 115 115 A T H > + 0 0 92 -2,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.846 67.0 41.6 -41.4 -58.2 20.9 11.6 -2.0 116 116 A N H > S+ 0 0 78 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.883 114.6 49.8 -64.0 -43.2 22.2 10.5 -5.4 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.950 110.6 52.7 -62.6 -42.6 25.5 9.1 -4.1 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.923 108.3 50.0 -56.5 -45.5 23.6 7.1 -1.4 119 119 A R H X S+ 0 0 94 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.946 110.4 49.5 -62.0 -44.2 21.3 5.6 -4.1 120 120 A Y H <>S+ 0 0 47 -4,-2.3 5,-2.8 1,-0.2 4,-0.4 0.906 112.5 48.5 -62.3 -38.4 24.3 4.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.2 2,-0.2 -1,-0.2 0.911 109.0 51.5 -67.3 -42.5 25.9 3.0 -3.2 122 122 A Q H 3<5S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.851 112.4 48.7 -59.6 -35.6 22.7 1.2 -2.2 123 123 A Q T 3<5S- 0 0 96 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.510 109.8-124.6 -82.4 -4.9 22.6 -0.1 -5.8 124 124 A K T < 5 + 0 0 100 -3,-1.2 2,-1.3 -4,-0.4 -3,-0.2 0.813 59.9 147.9 63.3 33.6 26.2 -1.2 -5.7 125 125 A R >< + 0 0 90 -5,-2.8 4,-2.5 1,-0.2 -1,-0.2 -0.724 23.8 178.7 -99.2 79.4 27.0 0.9 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.870 70.0 43.9 -51.4 -53.3 30.5 1.5 -7.6 127 127 A D H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 115.3 49.1 -65.4 -39.1 32.0 3.6 -10.3 128 128 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 110.3 51.5 -66.9 -38.1 28.9 5.7 -10.6 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -9,-0.2 -1,-0.2 0.941 109.4 50.5 -60.2 -47.4 28.9 6.3 -6.9 130 130 A A H X S+ 0 0 11 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.886 109.9 49.5 -60.1 -43.1 32.5 7.4 -6.9 131 131 A V H < S+ 0 0 88 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.918 113.2 47.2 -63.7 -43.1 32.0 9.8 -9.8 132 132 A N H >< S+ 0 0 35 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.880 105.1 58.1 -67.4 -37.9 29.0 11.3 -8.0 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.833 100.0 60.0 -60.2 -31.9 30.7 11.6 -4.7 134 134 A A T 3< S+ 0 0 28 -4,-1.1 2,-1.9 -3,-0.3 -1,-0.3 0.628 82.5 82.7 -71.5 -17.0 33.4 13.8 -6.3 135 135 A K S < S+ 0 0 156 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.523 80.0 98.9 -88.9 70.3 31.0 16.4 -7.4 136 136 A S S > S- 0 0 15 -2,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.994 84.1-118.0-155.6 157.7 31.0 18.1 -4.0 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.921 115.5 60.8 -60.2 -40.4 32.3 20.8 -1.9 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.946 106.7 43.5 -50.2 -52.9 33.7 18.0 0.3 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.937 114.4 50.6 -60.8 -46.8 35.9 16.6 -2.5 140 140 A N H < S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 115.6 40.5 -63.2 -39.0 37.0 20.1 -3.6 141 141 A Q H < S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 132.6 21.9 -79.5 -33.5 38.0 21.3 -0.1 142 142 A T S X S+ 0 0 18 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 -0.549 74.0 159.0-132.1 71.7 39.7 18.0 1.0 143 143 A P H > S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 70.1 50.2 -64.1 -38.4 40.5 16.2 -2.2 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.940 115.9 42.0 -68.9 -43.4 43.2 13.9 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 115.5 50.5 -66.7 -41.3 41.2 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.928 106.4 55.7 -62.4 -41.3 38.1 12.4 -0.3 147 147 A K H X S+ 0 0 89 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.903 107.4 50.0 -57.4 -40.6 40.0 10.5 -2.9 148 148 A R H X S+ 0 0 54 -4,-1.6 4,-1.9 2,-0.2 12,-0.2 0.944 113.4 44.3 -62.4 -48.7 40.9 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.942 113.8 50.1 -63.2 -47.2 37.4 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.5 4,-2.6 1,-0.2 -1,-0.2 0.896 108.7 52.3 -60.5 -39.7 36.0 7.4 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.5 4,-2.6 -5,-0.3 6,-0.4 0.886 107.6 53.3 -63.0 -36.0 38.5 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.927 111.9 44.0 -64.9 -43.2 37.4 2.7 -0.5 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.835 115.0 51.4 -70.2 -32.7 33.7 2.9 -1.6 154 154 A R H < S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.930 124.7 21.2 -69.5 -44.7 34.8 2.2 -5.2 155 155 A T H < S- 0 0 40 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.634 85.6-132.9 -99.6 -22.3 36.8 -1.0 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.765 75.3 105.5 71.4 21.5 35.7 -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 -0.798 78.3-124.0-126.6 171.2 39.5 -2.6 -0.4 158 158 A W >> + 0 0 43 -2,-0.3 3,-2.0 1,-0.2 4,-1.2 0.078 69.3 124.1-101.3 22.0 41.8 -0.6 1.9 159 159 A D T 34 + 0 0 86 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.823 67.9 57.8 -54.2 -33.1 44.3 0.1 -1.0 160 160 A A T 34 S+ 0 0 22 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.677 112.8 39.8 -72.4 -15.7 44.0 3.8 -0.4 161 161 A Y T X4 S+ 0 0 2 -3,-2.0 3,-1.1 -13,-0.1 -1,-0.2 0.469 89.7 109.7-109.2 -7.7 45.2 3.5 3.2 162 162 A K T 3< S+ 0 0 103 -4,-1.2 -3,-0.0 1,-0.3 0, 0.0 -0.465 81.0 23.7 -70.6 141.8 47.7 0.9 2.5 163 163 A N T 3 0 0 165 -2,-0.2 -1,-0.3 1,-0.0 -4,-0.0 0.776 360.0 360.0 74.6 30.3 51.2 2.3 2.9 164 164 A L < 0 0 121 -3,-1.1 -2,-0.1 0, 0.0 -4,-0.0 0.321 360.0 360.0-130.1 360.0 50.1 5.1 5.2