==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DN0 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9104.0 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 . 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 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 1 1 0 1 2 0 0 1 1 0 0 0 0 0 1 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.2 43.1 -1.6 8.7 2 2 A N > - 0 0 66 156,-0.0 4,-3.1 95,-0.0 5,-0.2 -0.934 360.0 -80.3-160.9 176.1 39.8 -0.5 10.4 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.854 126.7 51.0 -56.6 -39.7 37.7 2.6 11.0 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 115.0 40.5 -63.6 -51.0 39.9 3.7 13.9 5 5 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.878 115.5 53.9 -64.1 -38.7 43.2 3.4 12.0 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.956 111.9 41.8 -60.6 -54.7 41.5 4.9 8.9 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.4 0.844 109.3 59.7 -65.4 -34.3 40.3 8.0 10.7 8 8 A R H X S+ 0 0 106 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.909 108.9 45.2 -57.7 -43.2 43.6 8.3 12.6 9 9 A I H < S+ 0 0 49 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.951 117.7 43.1 -61.5 -51.0 45.3 8.6 9.1 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.827 126.6 29.4 -67.9 -34.2 42.7 11.1 7.8 11 11 A E H < S- 0 0 42 -4,-3.0 19,-0.4 1,-0.2 -1,-0.2 0.684 91.9-152.4-101.6 -22.2 42.4 13.3 11.0 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.206 25.0 -86.9 71.5-173.4 45.9 13.0 12.6 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.954 45.0 167.7-137.9 120.0 46.5 13.4 16.3 14 14 A R E -A 28 0A 149 14,-1.6 14,-2.5 -2,-0.4 4,-0.1 -0.996 20.7-161.5-134.4 127.2 47.1 16.8 18.0 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.9 12,-0.2 2,-0.3 0.515 73.9 63.4 -89.8 -7.5 47.0 17.2 21.8 16 16 A K E S-C 57 0B 149 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.905 101.9 -83.7-117.0 146.3 46.6 21.0 21.8 17 17 A I E + 0 0 31 39,-2.1 2,-0.3 -2,-0.3 10,-0.2 -0.187 59.0 166.7 -48.3 129.5 43.6 23.0 20.4 18 18 A Y E -A 26 0A 24 8,-2.9 8,-3.2 -4,-0.1 2,-0.5 -0.885 37.9-101.7-137.8 169.8 44.0 23.5 16.7 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.862 34.5-137.2 -99.0 132.4 41.8 24.7 13.8 20 20 A D > - 0 0 44 4,-3.0 3,-1.8 -2,-0.5 -1,-0.1 0.047 42.7 -77.4 -72.0-172.7 40.4 22.0 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.759 134.3 49.8 -62.7 -25.0 40.3 22.3 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.379 123.1-103.2 -91.4 1.1 37.2 24.7 7.9 23 23 A G S < S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.556 75.9 139.6 87.7 10.7 38.9 26.9 10.4 24 24 A Y - 0 0 81 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.700 61.7 -99.8 -94.6 139.5 37.0 25.5 13.4 25 25 A Y E +A 19 0A 36 11,-0.4 8,-2.7 9,-0.4 9,-1.2 -0.298 55.2 162.2 -58.4 131.2 38.5 24.8 16.9 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-2.9 6,-0.3 2,-0.3 -0.912 19.7-163.8-148.1 160.0 39.3 21.1 17.2 27 27 A I E > - B 0 31A 0 4,-1.7 4,-2.5 -2,-0.3 -12,-0.2 -0.978 52.0 -2.7-148.2 161.8 41.4 18.8 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.6 -2,-0.3 2,-1.0 -0.340 124.5 -2.7 66.8-127.3 42.8 15.2 19.4 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.649 129.4 -54.2-102.5 73.5 41.7 13.1 16.5 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.834 81.6 164.0 61.8 35.6 39.4 15.5 14.7 31 31 A H E < -B 27 0A 30 -4,-2.5 -4,-1.7 -20,-0.1 -1,-0.2 -0.744 31.7-142.1 -86.2 100.1 37.2 16.2 17.7 32 32 A L E -B 26 0A 78 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.386 20.1-177.1 -57.9 127.0 35.3 19.4 16.7 33 33 A L - 0 0 11 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.837 58.7 -31.2 -94.1 -43.5 34.9 21.6 19.8 34 34 A T - 0 0 29 -9,-1.2 -1,-0.4 2,-0.1 -9,-0.4 -0.969 35.3-130.7-170.0 157.0 32.9 24.5 18.4 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.445 76.4 113.4 -93.3 -3.8 32.1 26.6 15.3 36 36 A S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.416 69.1-139.2 -66.4 139.0 32.6 29.7 17.4 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.498 75.7 105.1 -77.2 -1.0 35.6 31.9 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-1.6 -13,-0.0 -2,-0.1 -0.714 58.8-159.6 -84.5 120.7 36.1 32.4 20.3 39 39 A L H > S+ 0 0 72 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.837 95.2 56.4 -64.5 -35.6 39.1 30.4 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.877 104.9 51.7 -62.4 -40.0 37.6 30.8 25.2 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.888 110.8 49.8 -61.1 -40.6 34.4 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.919 109.9 48.2 -64.6 -47.5 36.5 26.3 22.5 43 43 A K H X S+ 0 0 47 -4,-2.6 4,-2.6 2,-0.2 11,-0.3 0.868 110.2 54.0 -60.8 -38.5 38.4 25.8 25.8 44 44 A S H X S+ 0 0 72 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 109.0 47.2 -60.8 -49.1 35.1 25.7 27.6 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.890 111.0 53.3 -57.9 -42.0 33.8 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.946 108.5 48.1 -58.6 -52.4 37.1 21.1 25.8 47 47 A D H X>S+ 0 0 38 -4,-2.6 4,-3.0 1,-0.2 5,-0.9 0.906 113.1 49.0 -53.7 -45.7 36.7 21.2 29.6 48 48 A K H <5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.9 47.8 -62.3 -40.0 33.1 20.0 29.3 49 49 A A H <5S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.886 121.3 34.9 -68.2 -40.3 34.1 17.2 26.9 50 50 A I H <5S- 0 0 37 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.775 102.0-126.2 -88.3 -32.3 37.0 16.0 29.1 51 51 A G T <5S+ 0 0 69 -4,-3.0 2,-0.3 -5,-0.3 -3,-0.2 0.726 77.2 76.2 87.8 24.9 35.5 16.7 32.6 52 52 A R S - 0 0 17 -2,-1.0 3,-0.7 -11,-0.3 -1,-0.2 0.752 34.7-148.0 -97.6 -31.9 42.4 21.7 30.8 55 55 A N T 3 S- 0 0 104 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.957 75.0 -45.6 41.9 58.6 43.2 25.1 29.3 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.1 1,-0.1 2,-0.4 0.303 114.6 91.8 90.6 -6.6 43.7 23.7 25.8 57 57 A V B < +C 16 0B 69 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.986 43.2 178.0-129.8 133.5 45.9 20.6 26.2 58 58 A I - 0 0 4 -43,-2.9 2,-0.1 -2,-0.4 -30,-0.1 -0.796 28.5-108.4-123.4 167.2 44.9 16.9 26.6 59 59 A T > - 0 0 71 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.461 33.0-108.7 -86.5 166.8 46.7 13.6 26.9 60 60 A K H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 121.5 54.3 -60.7 -43.2 46.8 10.9 24.2 61 61 A D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 109.9 46.6 -55.7 -45.8 44.6 8.7 26.4 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.907 110.8 52.2 -65.0 -42.8 42.1 11.5 26.6 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.929 111.6 46.9 -57.3 -45.5 42.3 12.1 22.8 64 64 A E H X S+ 0 0 87 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.834 108.2 56.3 -68.1 -33.5 41.6 8.4 22.2 65 65 A K H X S+ 0 0 136 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.959 110.6 43.1 -60.7 -51.6 38.7 8.5 24.7 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.881 112.2 56.0 -59.1 -40.4 37.0 11.3 22.7 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.936 107.2 47.2 -59.3 -49.9 37.8 9.5 19.4 68 68 A N H X S+ 0 0 87 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.920 113.2 49.7 -58.5 -43.9 36.1 6.3 20.5 69 69 A Q H X S+ 0 0 92 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.892 111.4 49.1 -59.9 -41.7 33.1 8.3 21.7 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.897 110.6 48.3 -68.5 -43.7 33.0 10.2 18.3 71 71 A V H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.939 113.8 48.8 -59.1 -49.0 33.2 7.0 16.2 72 72 A D H X S+ 0 0 84 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.937 109.9 51.4 -52.9 -51.6 30.4 5.6 18.4 73 73 A A H X S+ 0 0 59 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.849 109.0 51.3 -57.5 -36.9 28.3 8.7 18.0 74 74 A A H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.929 111.1 46.6 -67.1 -47.0 28.7 8.6 14.1 75 75 A V H X S+ 0 0 29 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 114.2 47.8 -58.4 -48.8 27.6 4.9 14.0 76 76 A R H X S+ 0 0 104 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.865 109.8 54.0 -63.3 -38.2 24.6 5.7 16.2 77 77 A G H X S+ 0 0 11 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.917 109.5 47.4 -59.4 -47.0 23.8 8.8 14.1 78 78 A I H >< S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 7,-0.5 0.927 111.9 50.1 -58.3 -48.8 23.7 6.6 10.9 79 79 A L H 3< S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 110.5 48.9 -67.5 -28.1 21.5 4.0 12.6 80 80 A R H 3< S+ 0 0 201 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 0.512 94.1 91.0 -88.3 -5.8 18.9 6.5 13.9 81 81 A N S+ 0 0 14 -6,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.854 101.8 68.1 -89.7 -38.9 21.2 6.5 6.1 85 85 A K H X S+ 0 0 85 -4,-2.8 4,-3.3 -7,-0.5 5,-0.2 0.889 99.7 47.5 -53.7 -51.0 20.4 3.2 7.9 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.909 114.8 46.7 -61.2 -40.6 19.2 1.2 4.9 87 87 A V H > S+ 0 0 9 -4,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.945 115.0 46.8 -63.8 -46.8 22.2 2.2 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.930 110.9 51.8 -59.5 -48.3 24.6 1.4 5.7 89 89 A D H 3< S+ 0 0 71 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 106.5 56.3 -55.3 -34.0 22.9 -1.9 6.4 90 90 A S H 3< S+ 0 0 38 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.643 94.6 87.5 -76.5 -18.0 23.3 -2.8 2.7 91 91 A L S << S- 0 0 7 -3,-1.3 2,-0.1 -4,-0.7 31,-0.0 -0.459 78.1-115.1 -87.6 155.8 27.1 -2.4 2.7 92 92 A D > - 0 0 55 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.360 44.3 -95.5 -73.6 166.8 30.0 -4.7 3.5 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.793 121.8 53.4 -62.6 -34.3 32.2 -3.8 6.5 94 94 A V H > S+ 0 0 30 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.949 112.3 43.9 -65.4 -48.8 34.9 -2.0 4.5 95 95 A R H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.801 107.1 61.4 -69.1 -28.0 32.4 0.3 2.8 96 96 A R H X S+ 0 0 81 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.900 102.1 52.4 -59.3 -42.5 30.6 0.8 6.2 97 97 A A H X S+ 0 0 6 -4,-1.6 4,-2.8 -3,-0.2 -2,-0.2 0.917 106.2 53.1 -58.8 -44.3 33.9 2.3 7.5 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.906 109.9 49.2 -56.6 -42.9 33.9 4.7 4.5 99 99 A A H X S+ 0 0 18 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.904 110.7 48.1 -60.6 -48.9 30.3 5.7 5.5 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.915 108.4 57.3 -58.8 -43.3 31.3 6.3 9.2 101 101 A N H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.916 107.1 46.9 -53.0 -51.2 34.3 8.3 7.9 102 102 A M H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.923 113.6 47.2 -56.5 -49.8 32.0 10.7 6.0 103 103 A V H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.896 108.9 55.3 -63.2 -42.5 29.7 11.2 8.9 104 104 A F H < S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.4 39.6 -51.9 -45.0 32.6 11.7 11.3 105 105 A Q H < S+ 0 0 52 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.890 135.2 12.5 -76.9 -40.8 33.8 14.6 9.0 106 106 A M H X S- 0 0 42 -4,-2.6 4,-0.9 -5,-0.1 -3,-0.2 0.493 93.5-133.4-121.9 -7.1 30.6 16.3 8.0 107 107 A G H X - 0 0 27 -4,-2.4 4,-1.5 -5,-0.4 3,-0.2 0.047 44.1 -63.9 73.0 171.9 27.8 15.0 10.3 108 108 A E H > S+ 0 0 77 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.838 137.0 54.6 -60.1 -35.9 24.4 13.8 9.2 109 109 A T H 4 S+ 0 0 127 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.830 106.7 52.2 -68.7 -31.9 23.5 17.3 7.9 110 110 A G H < S+ 0 0 30 -4,-0.9 3,-0.5 -3,-0.2 -1,-0.2 0.837 110.9 46.3 -69.2 -34.9 26.6 17.3 5.7 111 111 A V H >< S+ 0 0 8 -4,-1.5 3,-1.6 1,-0.2 -1,-0.2 0.490 88.1 92.5 -86.8 -4.5 25.7 13.9 4.2 112 112 A A G >< S+ 0 0 61 -4,-0.5 3,-0.5 -3,-0.3 -1,-0.2 0.832 81.4 53.9 -60.0 -37.6 22.0 15.1 3.6 113 113 A G G 3 S+ 0 0 71 -3,-0.5 3,-0.4 -4,-0.4 -1,-0.3 0.520 87.9 84.7 -74.1 -4.3 22.7 16.3 0.1 114 114 A F G <> + 0 0 24 -3,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.066 49.1 124.9 -91.0 26.4 24.2 12.9 -0.9 115 115 A T H <> S+ 0 0 64 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.892 75.8 43.9 -48.5 -53.6 20.8 11.3 -1.7 116 116 A N H > S+ 0 0 89 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.886 113.9 50.5 -65.5 -40.9 21.8 10.3 -5.3 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.936 110.4 51.2 -56.5 -49.4 25.2 9.0 -4.1 118 118 A L H X S+ 0 0 33 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.886 108.5 50.8 -57.5 -45.6 23.4 7.0 -1.4 119 119 A R H X S+ 0 0 126 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.929 111.1 48.4 -57.7 -48.5 21.0 5.4 -3.9 120 120 A M H <>S+ 0 0 42 -4,-2.2 5,-2.7 1,-0.2 4,-0.3 0.884 110.4 51.1 -61.6 -42.3 23.9 4.4 -6.2 121 121 A L H ><5S+ 0 0 4 -4,-2.5 3,-1.1 3,-0.2 -1,-0.2 0.910 109.8 49.5 -59.8 -44.3 25.8 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.0 49.9 -63.0 -37.2 22.7 0.8 -2.2 123 123 A Q T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.507 113.1-125.1 -73.3 -6.9 22.4 -0.3 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.1 2,-1.5 -4,-0.3 -3,-0.2 0.798 59.4 149.8 60.4 32.2 26.1 -1.3 -5.7 125 125 A R >< + 0 0 123 -5,-2.7 4,-3.1 1,-0.2 5,-0.2 -0.615 19.8 174.3 -89.6 74.0 26.8 0.9 -8.7 126 126 A W H > + 0 0 51 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.849 68.5 43.8 -58.6 -49.2 30.3 1.5 -7.4 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 117.7 46.0 -63.6 -44.7 31.9 3.5 -10.3 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 113.0 50.7 -63.8 -43.5 28.8 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.926 109.2 51.9 -56.7 -46.5 28.6 6.2 -7.0 130 130 A A H X S+ 0 0 12 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.886 109.9 48.1 -60.4 -44.0 32.3 7.2 -7.0 131 131 A V H X S+ 0 0 89 -4,-2.1 4,-0.6 2,-0.2 3,-0.4 0.943 113.6 47.7 -60.7 -49.3 31.7 9.8 -9.8 132 132 A N H >< S+ 0 0 39 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.902 107.7 55.0 -60.7 -44.7 28.7 11.2 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.811 103.2 56.6 -57.6 -34.5 30.5 11.5 -4.7 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.6 -3,-0.4 -1,-0.3 0.641 86.9 81.7 -74.6 -16.0 33.3 13.6 -6.2 135 135 A K S << S+ 0 0 164 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.546 81.7 95.2 -85.6 68.9 30.7 16.1 -7.5 136 136 A S S > S- 0 0 18 -2,-1.6 4,-2.2 1,-0.1 5,-0.1 -0.991 86.8-115.0-157.0 154.1 30.6 17.8 -4.1 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.909 116.7 62.1 -56.1 -41.7 32.0 20.7 -2.0 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.919 106.5 41.0 -50.2 -55.6 33.4 17.8 0.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.927 116.8 49.8 -61.2 -46.9 35.6 16.5 -2.7 140 140 A N H < S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.875 116.4 40.3 -63.0 -37.6 36.6 20.0 -3.8 141 141 A Q H < S+ 0 0 108 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 133.5 21.1 -81.9 -37.7 37.6 21.2 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.613 73.8 159.6-128.2 71.6 39.3 18.0 0.8 143 143 A P H > S+ 0 0 47 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.901 70.9 50.6 -64.7 -44.0 40.2 16.2 -2.4 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.927 117.2 40.1 -63.3 -44.3 43.0 13.8 -1.1 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 116.4 49.9 -67.6 -46.0 40.9 12.6 1.8 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 -8,-0.2 5,-0.2 0.907 108.1 55.0 -59.1 -42.5 37.7 12.4 -0.3 147 147 A K H X S+ 0 0 96 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.896 108.8 47.8 -56.0 -44.1 39.7 10.4 -2.9 148 148 A R H X S+ 0 0 56 -4,-1.6 4,-1.9 2,-0.2 12,-0.2 0.930 114.5 45.2 -62.3 -47.3 40.7 7.9 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.923 114.6 48.8 -62.9 -45.6 37.1 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-3.1 2,-0.2 -2,-0.2 0.910 108.6 52.6 -62.6 -46.1 35.7 7.3 -2.5 151 151 A T H X S+ 0 0 39 -4,-2.7 4,-2.6 -5,-0.2 6,-0.4 0.903 107.9 53.1 -55.6 -39.9 38.3 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.932 112.4 43.6 -61.6 -45.2 37.2 2.7 -0.4 153 153 A F H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.5 49.9 -65.3 -39.9 33.5 2.9 -1.6 154 154 A R H < S+ 0 0 104 -4,-3.1 -2,-0.2 1,-0.1 -1,-0.2 0.903 126.1 21.7 -65.0 -43.0 34.5 2.1 -5.2 155 155 A T H < S- 0 0 40 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.664 85.0-134.0-104.5 -24.2 36.6 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.2 -5,-0.4 -62,-0.2 0.725 74.4 107.5 66.7 20.6 35.5 -2.3 -1.0 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.764 79.5-124.2-120.3 170.4 39.2 -2.6 -0.2 158 158 A W S >> S+ 0 0 52 -2,-0.2 3,-2.1 1,-0.2 4,-0.6 0.116 70.8 122.0 -97.5 18.0 41.7 -0.7 2.0 159 159 A D G >4 + 0 0 112 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.822 67.9 57.2 -52.8 -37.5 44.0 -0.0 -1.0 160 160 A A G 34 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.627 109.2 46.6 -71.6 -13.4 43.9 3.8 -0.5 161 161 A Y G X4 S+ 0 0 2 -3,-2.1 3,-1.1 -13,-0.1 -1,-0.2 0.424 86.3 111.9-108.7 -2.6 45.1 3.5 3.1 162 162 A K T << S+ 0 0 133 -3,-0.9 -3,-0.0 -4,-0.6 0, 0.0 -0.507 84.3 15.0 -73.9 143.2 48.0 1.0 2.3 163 163 A N T 3 0 0 155 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.464 360.0 360.0 63.4 7.5 51.5 2.5 2.7 164 164 A L < 0 0 117 -3,-1.1 -2,-0.1 0, 0.0 -1,-0.1 0.249 360.0 360.0 -93.8 360.0 49.9 5.3 4.7