==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-07 2Q9D . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR Z.GUO,D.CASCIO,K.HIDEG,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 . 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.1 16.9 -1.7 23.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.921 360.0 -81.1-159.1 174.8 20.2 -0.8 21.2 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.862 126.6 51.7 -59.8 -35.1 22.3 2.4 20.7 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.963 113.6 42.6 -66.7 -46.0 20.2 3.6 17.8 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.891 114.8 52.9 -64.8 -35.8 16.9 3.2 19.7 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.948 112.9 41.1 -65.5 -52.1 18.5 4.8 22.7 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.849 109.2 60.1 -70.6 -29.1 19.8 7.9 20.9 8 8 A R H X S+ 0 0 105 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.914 109.4 44.9 -64.1 -35.6 16.5 8.1 19.0 9 9 A I H < S+ 0 0 45 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.950 117.4 42.9 -66.4 -47.0 14.8 8.5 22.3 10 10 A D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.815 125.1 33.2 -71.8 -28.7 17.3 10.9 23.7 11 11 A E H < S- 0 0 38 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.693 92.7-151.1-102.4 -20.8 17.6 13.1 20.6 12 12 A G < - 0 0 22 -4,-2.0 2,-0.3 -5,-0.4 -1,-0.2 -0.228 22.0 -92.0 77.6-175.4 14.1 12.9 19.1 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.925 44.4 166.3-142.6 114.1 13.4 13.2 15.3 14 14 A R E -A 28 0A 144 14,-2.0 14,-2.4 -2,-0.3 4,-0.1 -0.999 22.3-159.8-129.9 134.0 12.7 16.6 13.7 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.484 74.2 64.4 -93.6 -2.4 12.7 17.0 10.0 16 16 A K E S-C 57 0B 140 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.894 100.6 -87.6-119.1 148.6 13.2 20.8 10.0 17 17 A I E + 0 0 30 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.303 58.1 167.3 -53.0 133.6 16.1 22.8 11.3 18 18 A Y E -A 26 0A 27 8,-2.8 8,-2.8 6,-0.1 2,-0.5 -0.936 38.4-100.4-142.4 165.1 15.7 23.4 15.0 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.799 35.9-140.4 -92.8 134.3 17.8 24.7 17.9 20 20 A D > - 0 0 45 4,-2.8 3,-2.0 -2,-0.5 -1,-0.1 0.040 42.3 -76.3 -77.6-169.3 19.1 22.0 20.2 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 134.9 51.0 -65.8 -24.4 19.4 22.3 24.0 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.332 122.4-105.3 -92.6 5.2 22.5 24.5 23.6 23 23 A G S < S+ 0 0 39 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.603 76.6 137.4 84.5 11.4 20.7 26.8 21.2 24 24 A Y - 0 0 72 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.755 62.3-101.5-101.1 140.3 22.6 25.4 18.1 25 25 A Y E +A 19 0A 37 11,-0.4 8,-2.8 9,-0.4 9,-1.4 -0.367 53.8 160.1 -63.7 133.2 21.0 24.6 14.8 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.8 6,-0.3 2,-0.3 -0.886 18.6-166.2-145.5 161.2 20.4 20.9 14.4 27 27 A I E > + B 0 31A 0 4,-2.0 4,-2.4 -2,-0.3 2,-0.2 -0.980 51.6 5.9-150.4 165.1 18.2 18.6 12.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-2.0 -2,-0.3 2,-0.9 -0.441 123.2 -8.5 71.4-130.0 17.1 15.0 12.2 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.722 129.2 -49.7-105.8 74.8 18.1 12.8 15.2 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.806 83.4 161.8 69.9 28.7 20.5 15.2 17.0 31 31 A H E < -B 27 0A 28 -4,-2.4 -4,-2.0 -20,-0.1 2,-0.2 -0.725 31.4-145.3 -85.3 105.7 22.6 16.1 13.9 32 32 A L E -B 26 0A 76 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.520 17.9-176.1 -65.7 129.4 24.4 19.3 14.9 33 33 A L - 0 0 11 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.841 57.7 -35.0 -94.2 -42.9 24.7 21.6 11.9 34 34 A T - 0 0 27 -9,-1.4 -9,-0.4 2,-0.1 -1,-0.4 -0.960 33.6-130.5-171.8 153.2 26.8 24.4 13.2 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.419 75.3 116.8 -89.3 -2.9 27.3 26.6 16.3 36 36 A S - 0 0 36 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.328 69.2-137.1 -61.8 140.8 27.0 29.6 14.0 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.501 76.8 104.7 -77.3 2.4 24.0 31.8 14.9 38 38 A S > - 0 0 50 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.713 56.4-163.7 -90.2 118.5 23.3 32.1 11.2 39 39 A L H > S+ 0 0 66 -2,-0.7 4,-2.5 2,-0.2 5,-0.2 0.897 93.8 56.3 -61.7 -36.6 20.4 30.0 9.9 40 40 A N H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 106.7 50.3 -68.7 -32.0 21.7 30.4 6.4 41 41 A C H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.948 107.7 51.2 -65.1 -44.1 24.9 29.0 7.5 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 109.9 51.8 -55.3 -39.2 23.1 26.1 9.1 43 43 A K H X S+ 0 0 68 -4,-2.5 4,-2.7 2,-0.2 11,-0.3 0.896 107.6 51.4 -69.4 -36.0 21.3 25.5 5.8 44 44 A S H X S+ 0 0 69 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.947 111.1 48.0 -63.6 -41.3 24.6 25.5 3.9 45 45 A E H X S+ 0 0 64 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.913 112.0 50.9 -61.4 -41.2 26.0 22.9 6.3 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.942 108.2 51.1 -62.8 -43.0 22.8 20.9 5.9 47 47 A D H X>S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.3 5,-1.0 0.907 112.2 46.0 -67.6 -36.0 22.9 21.0 2.1 48 48 A K H <5S+ 0 0 146 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.848 110.2 55.1 -77.3 -27.6 26.5 19.8 2.0 49 49 A A H <5S+ 0 0 38 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.879 121.0 29.0 -66.7 -39.0 25.8 17.1 4.6 50 50 A I H <5S- 0 0 38 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.660 106.3-121.1-100.7 -11.8 23.0 15.6 2.5 51 51 A G T <5S+ 0 0 66 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.738 76.5 75.7 85.1 24.6 24.1 16.5 -0.9 52 52 A R S - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.507 32.7-108.9 -89.6 167.8 13.1 13.4 4.8 60 60 A K H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 121.3 54.1 -62.3 -39.7 13.1 10.7 7.5 61 61 A D H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 109.3 48.1 -61.3 -42.0 15.3 8.6 5.4 62 62 A E H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 110.6 51.0 -63.9 -42.2 17.8 11.5 5.1 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.905 110.6 49.5 -57.3 -42.5 17.6 12.0 8.9 64 64 A E H X S+ 0 0 89 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.837 107.5 54.5 -69.0 -31.7 18.3 8.3 9.4 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.944 110.4 45.0 -67.5 -45.0 21.3 8.4 7.1 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.923 112.6 53.8 -59.7 -41.8 22.9 11.3 9.0 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.934 106.9 49.5 -63.8 -42.3 22.1 9.5 12.2 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 112.3 48.8 -63.1 -40.5 23.8 6.3 11.1 69 69 A Q H X S+ 0 0 94 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.904 111.8 49.5 -60.8 -41.2 26.9 8.3 10.1 70 70 A D H X S+ 0 0 35 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.884 111.2 47.4 -71.8 -34.5 26.9 10.1 13.4 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.947 113.5 48.8 -67.5 -45.7 26.6 6.9 15.5 72 72 A D H X S+ 0 0 92 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.929 110.8 51.6 -56.1 -42.9 29.4 5.4 13.4 73 73 A A H X S+ 0 0 62 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 107.9 51.5 -64.0 -37.7 31.5 8.5 13.9 74 74 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.933 112.0 46.3 -66.0 -43.9 31.0 8.4 17.7 75 75 A V H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.929 114.6 45.8 -62.4 -47.3 32.1 4.8 17.8 76 76 A R H X S+ 0 0 146 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.902 110.4 55.2 -69.0 -30.2 35.1 5.4 15.6 77 77 A G H X S+ 0 0 13 -4,-2.3 4,-0.8 -5,-0.3 3,-0.2 0.933 108.9 48.1 -63.6 -44.0 36.0 8.5 17.6 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 7,-0.4 0.947 111.2 49.9 -57.5 -45.4 36.0 6.4 20.8 79 79 A L H 3< S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.748 111.6 48.0 -76.2 -19.8 38.2 3.7 19.2 80 80 A R H 3< S+ 0 0 207 -4,-1.5 2,-0.6 -3,-0.2 -1,-0.3 0.561 94.1 91.9 -87.2 -10.3 40.7 6.3 18.0 81 81 A N S+ 0 0 132 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.805 119.4 39.5 -90.6 -35.7 41.5 7.8 26.8 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-3.1 2,-0.1 5,-0.2 0.859 102.8 66.0 -84.7 -37.0 38.2 6.4 25.7 85 85 A K H X S+ 0 0 80 -4,-2.9 4,-3.3 -7,-0.4 5,-0.2 0.910 100.3 48.5 -58.6 -48.0 39.2 3.2 23.9 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.888 114.6 47.7 -62.2 -32.8 40.5 1.3 26.9 87 87 A V H >X S+ 0 0 3 -4,-0.6 4,-0.9 2,-0.2 3,-0.5 0.966 113.2 47.8 -70.3 -48.1 37.3 2.2 28.8 88 88 A Y H >< S+ 0 0 34 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 0.936 111.3 50.7 -52.8 -49.8 35.1 1.2 25.9 89 89 A D H 3< S+ 0 0 73 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.809 107.2 55.2 -60.4 -27.5 36.9 -2.1 25.5 90 90 A S H << S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.646 97.0 85.3 -79.1 -16.6 36.5 -2.8 29.1 91 91 A L S << S- 0 0 6 -3,-1.4 2,-0.1 -4,-0.9 31,-0.0 -0.480 78.2-114.0 -89.8 157.5 32.7 -2.4 29.1 92 92 A D > - 0 0 54 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.301 45.2 -97.2 -71.7 163.9 29.8 -4.7 28.3 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.836 122.2 52.9 -62.7 -29.7 27.7 -3.8 25.2 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.956 113.4 42.8 -69.6 -46.0 25.0 -2.0 27.2 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.867 108.6 60.1 -69.3 -30.2 27.5 0.2 29.0 96 96 A R H X S+ 0 0 78 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.923 102.6 53.0 -58.0 -42.8 29.3 0.7 25.7 97 97 A A H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.880 105.2 54.0 -59.9 -40.3 26.1 2.1 24.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.917 109.0 48.6 -61.2 -41.2 26.0 4.6 27.2 99 99 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.927 110.1 50.2 -67.3 -40.6 29.5 5.8 26.3 100 100 A I H X S+ 0 0 8 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.916 108.4 55.3 -60.0 -39.1 28.6 6.2 22.6 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.943 108.2 47.3 -59.0 -49.4 25.6 8.2 23.8 102 102 A M H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.925 113.2 47.3 -60.5 -44.9 27.8 10.6 25.7 103 103 A V H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 109.5 55.0 -65.0 -35.5 30.2 11.0 22.9 104 104 A F H < S+ 0 0 30 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.924 115.5 38.9 -58.2 -44.5 27.3 11.6 20.5 105 105 A Q H < S+ 0 0 51 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.922 134.4 14.9 -74.9 -43.1 26.0 14.4 22.7 106 106 A M H < S- 0 0 57 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.542 104.4-110.7-119.0 -5.2 29.2 16.1 23.8 107 107 A G X - 0 0 30 -4,-2.3 4,-2.5 -5,-0.4 5,-0.2 0.051 33.4 -78.4 88.6 154.7 32.0 14.9 21.5 108 108 A E H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.908 127.4 51.2 -57.0 -46.2 35.1 12.7 22.1 109 109 A T H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.942 109.3 49.2 -65.3 -43.4 37.1 15.5 23.7 110 110 A G H >4 S+ 0 0 35 -4,-0.5 3,-0.8 1,-0.2 4,-0.2 0.943 115.4 43.3 -60.0 -46.2 34.4 16.4 26.2 111 111 A V H >< S+ 0 0 1 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.905 107.2 59.5 -68.0 -37.8 33.9 12.8 27.3 112 112 A A H 3< S+ 0 0 16 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 96.9 65.3 -63.7 -18.8 37.6 12.1 27.4 113 113 A G T << S+ 0 0 54 -4,-1.1 2,-2.0 -3,-0.8 3,-0.3 0.539 74.4 89.1 -75.7 -7.5 37.8 14.9 30.0 114 114 A F <> + 0 0 40 -3,-2.2 4,-2.8 -4,-0.2 5,-0.2 -0.343 53.6 158.0 -85.8 59.7 35.7 12.9 32.5 115 115 A T H > + 0 0 103 -2,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.868 66.7 45.6 -59.3 -44.7 38.9 11.4 33.8 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.937 115.5 46.6 -66.8 -46.9 37.6 10.3 37.2 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.909 110.9 52.3 -61.3 -39.8 34.4 8.8 35.9 118 118 A L H X S+ 0 0 12 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.913 109.8 49.3 -65.5 -38.9 36.3 7.0 33.2 119 119 A R H X S+ 0 0 164 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.916 111.7 48.8 -64.4 -42.9 38.7 5.5 35.8 120 120 A M H <>S+ 0 0 25 -4,-2.4 5,-2.6 1,-0.2 4,-0.3 0.876 111.5 49.9 -67.9 -35.4 35.7 4.4 38.0 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.929 110.4 49.4 -64.5 -44.2 34.0 2.9 34.9 122 122 A Q H 3<5S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 111.6 49.5 -64.1 -31.9 37.2 1.0 34.0 123 123 A Q T 3<5S- 0 0 67 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.512 111.4-125.8 -78.9 -8.1 37.4 -0.2 37.6 124 124 A K T < 5 + 0 0 96 -3,-1.5 2,-1.2 -4,-0.3 -3,-0.2 0.849 60.9 146.8 58.5 40.4 33.7 -1.3 37.4 125 125 A R >< + 0 0 120 -5,-2.6 4,-2.7 1,-0.2 -1,-0.2 -0.723 22.3 173.7 -95.8 74.8 32.9 0.8 40.5 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.855 67.5 45.6 -67.4 -38.5 29.5 1.6 39.0 127 127 A D H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 115.4 48.4 -71.3 -38.3 27.8 3.4 41.8 128 128 A E H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 111.7 50.4 -63.4 -41.5 30.9 5.6 42.4 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.932 108.8 51.8 -60.6 -45.2 31.1 6.3 38.6 130 130 A A H X S+ 0 0 10 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.893 109.6 49.8 -60.0 -42.8 27.4 7.2 38.6 131 131 A V H < S+ 0 0 85 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.929 114.3 44.5 -60.6 -42.8 27.9 9.7 41.5 132 132 A N H >< S+ 0 0 31 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.907 106.4 59.6 -73.2 -35.2 30.9 11.3 39.7 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.823 100.6 57.0 -59.3 -34.2 29.2 11.5 36.3 134 134 A A T 3< S+ 0 0 28 -4,-1.3 2,-2.0 -3,-0.3 -1,-0.3 0.653 84.5 83.1 -74.3 -12.5 26.5 13.7 37.8 135 135 A K S < S+ 0 0 161 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.527 80.9 97.3 -89.2 68.2 29.0 16.3 39.0 136 136 A S S > S- 0 0 16 -2,-2.0 4,-2.3 1,-0.1 5,-0.2 -0.997 85.9-117.4-154.6 151.8 29.1 17.9 35.6 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.920 116.1 62.3 -55.7 -42.5 27.7 20.7 33.4 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.930 105.7 42.0 -45.8 -57.5 26.4 17.8 31.3 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.925 115.0 50.0 -60.3 -48.4 24.2 16.5 34.1 140 140 A N H < S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.4 41.9 -62.4 -35.9 23.0 20.0 35.3 141 141 A Q H < S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 132.7 20.7 -84.1 -30.1 22.0 21.1 31.8 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.3 -0.586 75.6 159.0-130.9 68.6 20.4 17.9 30.6 143 143 A P H > + 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.864 69.8 50.8 -68.7 -36.8 19.5 16.1 33.8 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.944 116.3 41.4 -69.5 -38.6 16.8 13.8 32.6 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 115.5 50.3 -70.3 -43.9 18.9 12.5 29.7 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.924 107.5 54.8 -62.0 -38.6 22.0 12.3 31.9 147 147 A K H X S+ 0 0 102 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.910 108.6 48.7 -59.6 -40.2 20.1 10.4 34.5 148 148 A R H X S+ 0 0 55 -4,-1.8 4,-1.7 2,-0.2 12,-0.2 0.934 114.1 44.4 -65.0 -44.6 19.1 7.8 31.9 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.923 114.9 50.1 -65.1 -42.7 22.7 7.4 30.6 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.925 107.8 52.1 -63.4 -41.0 24.0 7.3 34.2 151 151 A T H X S+ 0 0 37 -4,-2.8 4,-2.4 -5,-0.2 6,-0.4 0.869 108.2 53.4 -60.7 -35.8 21.5 4.6 35.2 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.924 111.8 43.9 -66.4 -43.9 22.7 2.6 32.1 153 153 A F H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 115.3 49.9 -65.1 -36.4 26.2 2.9 33.3 154 154 A R H < S+ 0 0 106 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.934 126.3 21.9 -68.5 -39.9 25.2 2.1 36.9 155 155 A T H < S- 0 0 37 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.658 85.2-134.1-106.3 -23.9 23.2 -1.0 36.1 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.752 74.9 106.4 71.2 19.3 24.3 -2.3 32.8 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.793 79.1-124.3-124.6 170.4 20.6 -2.6 31.9 158 158 A W >> + 0 0 58 -2,-0.3 3,-2.2 1,-0.2 4,-1.1 0.077 69.3 123.1 -96.4 22.6 18.2 -0.7 29.7 159 159 A D T 34 + 0 0 104 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.810 67.6 57.9 -60.5 -29.1 15.8 0.0 32.6 160 160 A A T 34 S+ 0 0 22 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.666 111.8 41.6 -75.0 -13.0 15.9 3.8 32.1 161 161 A Y T X4 S+ 0 0 0 -3,-2.2 3,-1.3 -13,-0.1 2,-0.2 0.408 87.0 114.7-110.3 -7.5 14.7 3.4 28.5 162 162 A K T 3< S+ 0 0 133 -4,-1.1 -3,-0.0 -3,-0.3 0, 0.0 -0.505 86.2 15.2 -67.8 130.5 12.1 0.8 29.1 163 163 A N T 3 0 0 138 -2,-0.2 -1,-0.3 1,-0.0 -3,-0.1 0.058 360.0 360.0 84.4 -15.1 8.6 2.1 28.5 164 164 A L < 0 0 121 -3,-1.3 -2,-0.2 0, 0.0 -3,-0.0 0.569 360.0 360.0 -83.3 360.0 10.2 5.0 26.6