==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-99 1CU2 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.D.LINDSTROM,J.LU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 12 7.4 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 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 0 2 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 71 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.1 43.3 -1.8 9.2 2 2 A N > - 0 0 67 156,-0.0 4,-3.0 95,-0.0 5,-0.2 -0.924 360.0 -78.2-158.0 176.8 40.1 -0.7 10.7 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.811 125.3 51.9 -53.9 -37.7 38.0 2.4 11.2 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.961 113.5 40.5 -69.0 -48.1 40.2 3.6 14.1 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.863 114.3 55.6 -64.3 -39.0 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.944 111.2 41.7 -60.0 -49.5 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.842 108.9 58.9 -68.3 -30.2 40.7 7.8 10.9 8 8 A R H X S+ 0 0 100 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.903 108.6 48.1 -67.1 -30.6 43.9 8.3 12.9 9 9 A I H < S+ 0 0 88 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.930 114.9 43.4 -70.2 -44.8 45.6 8.4 9.6 10 10 A D H < S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.744 125.1 31.1 -69.6 -32.9 43.2 10.9 8.1 11 11 A E H < S- 0 0 44 -4,-2.2 19,-0.4 -5,-0.2 -1,-0.2 0.636 91.0-151.5-100.6 -26.5 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 -0.150 24.8 -89.5 77.4-168.4 46.3 13.0 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.984 42.3 172.6-144.2 124.3 46.7 13.6 16.5 14 14 A R E -A 28 0A 139 14,-1.5 14,-2.4 -2,-0.4 4,-0.1 -0.997 19.8-160.6-134.2 136.4 47.3 16.9 18.2 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.478 74.1 61.2 -97.9 -5.3 47.3 17.6 21.9 16 16 A K E S-C 57 0B 130 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.903 100.9 -86.1-114.4 152.9 46.8 21.3 21.9 17 17 A I E + 0 0 30 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.231 57.7 170.2 -49.6 139.9 43.9 23.2 20.5 18 18 A Y E -A 26 0A 27 8,-3.3 8,-3.1 -4,-0.1 2,-0.4 -0.872 35.9-103.1-146.1 171.2 44.3 23.8 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.867 34.2-137.6 -99.1 137.9 42.3 25.0 13.9 20 20 A D > - 0 0 48 4,-2.8 3,-2.3 -2,-0.4 -1,-0.1 -0.094 41.7 -79.4 -79.1-168.0 41.0 22.4 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.748 135.8 50.0 -68.4 -21.0 41.0 22.8 7.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.430 124.0-104.9 -92.5 -0.6 37.9 25.0 7.8 23 23 A G S < S+ 0 0 36 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.615 74.4 140.1 87.9 17.1 39.5 27.2 10.6 24 24 A Y - 0 0 81 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.810 60.0-103.0-100.4 149.2 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-3.0 11,-0.4 9,-1.5 -0.373 53.2 159.0 -72.5 129.8 38.9 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.3 6,-0.3 2,-0.3 -0.908 19.1-168.4-140.3 168.1 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.9 4,-1.9 -2,-0.3 2,-0.2 -0.986 51.9 7.3-154.1 164.2 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.5 -2,-0.3 2,-1.1 -0.495 122.0 -8.6 72.6-139.9 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.1 -16,-0.2 -17,-0.1 -0.726 128.2 -52.0 -98.6 72.0 42.0 13.1 16.6 30 30 A G T 4 S+ 0 0 14 -2,-1.1 2,-1.0 -19,-0.4 -2,-0.2 0.764 84.2 160.5 70.0 30.3 39.8 15.5 14.8 31 31 A H E < -B 27 0A 31 -4,-1.9 -4,-1.9 2,-0.0 -1,-0.2 -0.704 32.7-143.2 -90.1 105.2 37.5 16.3 17.7 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.397 18.6-176.6 -67.3 128.5 35.7 19.6 16.7 33 33 A L E - 0 0 14 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.819 59.3 -25.6 -93.9 -43.8 35.2 21.8 19.8 34 34 A T E -B 25 0A 29 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.951 35.6-134.8-166.8 152.7 33.3 24.6 18.3 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.503 75.8 112.5 -90.4 -2.1 32.5 26.6 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.369 71.1-135.4 -74.5 147.6 33.0 29.8 17.2 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.616 76.0 105.6 -80.7 -3.4 35.8 32.1 16.5 38 38 A S > - 0 0 47 1,-0.2 4,-2.3 2,-0.0 5,-0.1 -0.614 55.2-163.8 -84.8 123.6 36.4 32.4 20.2 39 39 A L H > S+ 0 0 74 -2,-0.7 4,-3.0 1,-0.3 5,-0.3 0.860 94.6 54.1 -70.4 -31.3 39.3 30.7 21.7 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.947 105.9 51.7 -66.6 -45.9 37.8 31.0 25.1 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.941 111.6 48.8 -53.7 -45.1 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 109.8 50.2 -61.0 -46.2 36.8 26.6 22.6 43 43 A K H X S+ 0 0 63 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.909 110.3 52.2 -66.7 -27.3 38.7 26.3 25.8 44 44 A S H X S+ 0 0 70 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.965 108.5 47.7 -72.2 -45.8 35.4 26.1 27.6 45 45 A E H X S+ 0 0 68 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.897 110.7 55.0 -60.8 -35.4 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.949 107.1 46.7 -67.8 -41.1 37.1 21.5 25.9 47 47 A D H X>S+ 0 0 32 -4,-2.0 4,-2.4 1,-0.2 5,-1.1 0.900 112.3 51.2 -67.0 -36.3 37.1 21.5 29.7 48 48 A K H <5S+ 0 0 143 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.858 110.9 49.1 -63.9 -38.8 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.871 121.5 34.8 -69.2 -35.9 34.3 17.6 27.3 50 50 A I H <5S- 0 0 38 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.704 102.4-126.7 -90.5 -29.2 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.801 76.4 71.0 82.7 32.1 35.9 17.2 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-1.0 -11,-0.2 -1,-0.2 0.687 33.1-141.7 -92.0 -25.6 42.8 21.7 30.8 55 55 A N T 3 S- 0 0 115 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.801 71.2 -58.1 66.2 25.7 44.1 25.0 29.8 56 56 A G T 3 S+ 0 0 8 1,-0.2 -39,-1.8 -13,-0.2 2,-0.4 0.561 118.6 95.5 82.6 10.4 43.9 23.9 26.1 57 57 A V B < +C 16 0B 62 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.998 46.9 178.2-131.7 138.7 46.1 20.9 26.4 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.812 27.2-108.7-131.3 172.4 45.1 17.2 26.9 59 59 A T > - 0 0 64 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.614 32.5-104.0 -96.8 173.5 46.9 14.0 27.2 60 60 A K H > S+ 0 0 110 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.864 120.4 52.6 -59.6 -44.3 47.1 11.2 24.8 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.887 109.4 49.5 -60.4 -43.5 44.8 9.0 26.8 62 62 A E H > S+ 0 0 36 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.929 109.5 51.9 -61.7 -44.7 42.2 11.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -34,-0.4 0.916 110.5 48.3 -57.4 -43.2 42.5 12.3 23.1 64 64 A E H X S+ 0 0 77 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.851 109.0 54.9 -67.3 -30.0 41.9 8.6 22.6 65 65 A K H X S+ 0 0 142 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.966 108.8 45.1 -71.2 -45.0 39.0 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 111.9 56.3 -58.1 -41.3 37.3 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.954 105.9 48.0 -60.9 -49.9 38.1 9.6 19.8 68 68 A N H X S+ 0 0 86 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.922 111.6 49.5 -55.4 -43.9 36.4 6.5 20.8 69 69 A Q H X S+ 0 0 95 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.891 111.0 50.8 -62.8 -40.5 33.3 8.3 21.9 70 70 A D H X S+ 0 0 32 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.868 109.9 48.8 -64.5 -36.2 33.3 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.963 112.4 48.3 -66.4 -44.7 33.5 7.0 16.5 72 72 A D H X S+ 0 0 92 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.958 111.8 51.5 -57.5 -45.8 30.8 5.4 18.5 73 73 A A H X S+ 0 0 59 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.3 0.887 107.0 51.6 -58.5 -45.0 28.7 8.4 18.0 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.930 111.0 48.4 -59.7 -45.2 29.2 8.5 14.3 75 75 A V H X S+ 0 0 31 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.938 112.0 48.3 -61.4 -46.3 28.1 4.8 14.0 76 76 A R H X S+ 0 0 122 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.909 107.5 55.3 -67.7 -31.8 25.1 5.3 16.0 77 77 A G H X S+ 0 0 11 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.3 0.887 108.4 49.5 -60.7 -43.5 24.2 8.4 14.1 78 78 A I H >< S+ 0 0 0 -4,-1.8 3,-1.2 2,-0.2 7,-0.3 0.946 109.8 51.4 -58.7 -48.0 24.3 6.3 10.9 79 79 A L H 3< S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.760 111.0 47.7 -66.8 -27.4 22.1 3.6 12.5 80 80 A R H 3< S+ 0 0 188 -4,-1.9 2,-0.8 -5,-0.2 -1,-0.3 0.531 91.3 96.0 -84.6 -12.7 19.5 6.1 13.5 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.1 5,-0.3 0.848 98.2 71.5 -91.9 -33.5 21.7 6.1 5.8 85 85 A K H X S+ 0 0 84 -4,-3.6 4,-3.5 -7,-0.3 5,-0.3 0.915 97.7 50.2 -49.4 -49.1 21.0 2.9 7.7 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.899 112.1 49.7 -62.3 -34.1 19.9 0.9 4.7 87 87 A V H > S+ 0 0 3 -4,-0.5 4,-0.9 -3,-0.2 -2,-0.2 0.956 112.1 46.1 -65.7 -49.7 22.9 1.9 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.920 111.1 52.4 -58.2 -46.4 25.2 1.0 5.6 89 89 A D H 3< S+ 0 0 72 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.844 106.4 55.9 -63.7 -26.4 23.5 -2.3 6.2 90 90 A S H 3< S+ 0 0 37 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.682 95.1 87.5 -76.0 -18.9 23.9 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.1 31,-0.0 -4,-0.9 2,-0.0 -0.522 76.3-115.1 -85.0 158.7 27.7 -2.6 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.199 43.7 -94.3 -75.0 171.7 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.848 121.1 48.8 -62.5 -41.4 32.8 -4.2 6.2 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.961 113.1 47.4 -65.0 -46.0 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.874 104.6 61.3 -65.9 -33.5 33.0 0.0 2.7 96 96 A R H X S+ 0 0 78 -4,-2.4 4,-2.6 1,-0.2 -1,-0.3 0.924 101.3 53.6 -55.2 -39.5 31.2 0.6 6.0 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.9 -3,-0.5 -1,-0.2 0.906 104.1 55.4 -66.8 -33.1 34.3 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.882 108.2 48.8 -64.8 -37.6 34.5 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.917 110.1 50.7 -69.5 -36.7 30.9 5.7 5.2 100 100 A I H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.944 106.2 56.1 -63.8 -41.3 31.8 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.959 107.6 48.8 -56.8 -44.5 34.8 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.9 1,-0.2 5,-0.4 0.943 112.3 47.2 -63.0 -42.7 32.7 10.6 6.0 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.907 109.4 53.7 -64.6 -38.1 30.2 11.0 8.7 104 104 A F H < S+ 0 0 31 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.927 116.3 40.4 -61.9 -36.6 32.9 11.6 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.921 132.6 18.4 -79.3 -45.6 34.3 14.3 9.1 106 106 A M H X S- 0 0 47 -4,-2.9 4,-1.0 -5,-0.3 -3,-0.2 0.531 100.8-119.0-110.4 -4.5 31.1 16.0 7.9 107 107 A G H X - 0 0 26 -4,-2.9 4,-2.2 -5,-0.4 5,-0.2 0.069 36.9 -75.0 79.4 156.7 28.3 15.0 10.2 108 108 A E H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.779 131.8 53.7 -58.5 -42.2 25.2 13.2 9.5 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.1 1,-0.1 3,-0.3 0.987 106.3 49.4 -50.3 -69.2 23.8 16.2 8.0 110 110 A G H >< S+ 0 0 31 -4,-1.0 3,-0.5 1,-0.3 -2,-0.2 0.832 118.6 39.5 -43.0 -49.9 26.6 16.7 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -1,-0.3 0.826 100.2 69.1 -75.8 -39.6 26.5 13.1 4.4 112 112 A A H 3< S+ 0 0 15 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.768 95.3 61.8 -56.3 -17.8 22.8 12.6 4.3 113 113 A G T << S+ 0 0 61 -4,-1.1 3,-0.3 -3,-0.5 -1,-0.3 0.264 76.2 85.7 -88.8 9.3 22.9 15.1 1.3 114 114 A F <> + 0 0 33 -3,-2.2 4,-2.7 1,-0.2 3,-0.3 -0.295 58.1 149.7 -96.4 45.6 25.0 12.9 -0.9 115 115 A T H > + 0 0 84 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.892 63.7 45.5 -47.0 -53.0 21.7 11.4 -1.8 116 116 A N H > S+ 0 0 99 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.886 112.8 49.2 -63.2 -37.9 22.6 10.3 -5.2 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.911 108.9 55.8 -66.1 -41.4 26.0 8.8 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.918 106.4 49.3 -57.4 -41.3 24.2 6.9 -1.4 119 119 A R H X S+ 0 0 152 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.935 111.4 49.6 -65.7 -39.2 21.8 5.3 -3.9 120 120 A M H <>S+ 0 0 30 -4,-1.7 5,-2.2 2,-0.2 4,-0.3 0.899 110.2 49.9 -66.8 -40.3 24.6 4.3 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.951 108.7 52.6 -64.8 -42.8 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 110.0 49.8 -59.1 -36.1 23.3 0.9 -2.2 123 123 A Q T 3<5S- 0 0 79 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.507 111.6-124.5 -79.0 -5.6 23.2 -0.4 -5.8 124 124 A K T < 5 + 0 0 97 -3,-2.2 2,-1.3 -4,-0.3 -3,-0.2 0.750 61.4 145.5 65.6 32.5 26.8 -1.4 -5.7 125 125 A R >< + 0 0 111 -5,-2.2 4,-2.1 1,-0.2 5,-0.2 -0.659 22.8 174.6 -95.1 78.6 27.6 0.6 -8.7 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.2 1,-0.2 5,-0.2 0.876 67.2 45.3 -65.9 -47.6 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 114.9 49.8 -64.3 -38.7 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 110.8 48.1 -63.6 -44.1 29.7 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.909 108.6 56.3 -61.9 -36.7 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.3 -2,-0.2 0.934 109.4 45.1 -67.7 -36.6 33.1 7.2 -7.1 131 131 A V H X S+ 0 0 96 -4,-2.4 4,-0.6 1,-0.2 -1,-0.3 0.920 114.3 48.1 -69.5 -43.6 32.6 9.7 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.915 107.8 56.0 -64.7 -38.3 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.6 6,-0.4 1,-0.3 -1,-0.2 0.832 101.5 58.8 -63.1 -28.9 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.9 -5,-0.2 -1,-0.3 0.702 84.6 80.2 -74.5 -19.9 34.0 13.5 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.564 81.4 97.7 -80.7 66.9 31.6 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.999 85.1-116.4-151.4 159.2 31.4 17.8 -4.3 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.905 114.4 63.3 -60.7 -43.3 32.8 20.6 -2.2 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.957 105.6 42.7 -47.4 -47.6 34.2 17.9 -0.0 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.1 51.5 -69.5 -41.1 36.4 16.5 -2.7 140 140 A N H < S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.6 40.9 -68.5 -28.5 37.4 20.0 -3.9 141 141 A Q H < S+ 0 0 106 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.827 131.9 20.1 -86.8 -39.9 38.5 21.2 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.544 73.5 160.8-127.9 71.0 40.2 18.0 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.841 68.4 53.4 -61.2 -42.8 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.923 115.6 38.9 -64.1 -43.5 43.7 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 114.7 54.5 -67.6 -46.6 41.6 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 0.923 107.0 52.1 -52.4 -44.5 38.5 12.5 -0.3 147 147 A K H X S+ 0 0 80 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.899 106.8 52.6 -58.8 -40.3 40.5 10.3 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.5 4,-1.6 2,-0.2 12,-0.2 0.957 114.4 42.2 -63.3 -40.8 41.5 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 113.4 51.6 -71.3 -44.2 37.9 7.4 0.9 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.912 108.7 51.1 -60.0 -40.8 36.6 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.8 4,-2.7 1,-0.2 6,-0.4 0.837 106.9 55.1 -64.9 -31.8 39.1 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.907 109.7 45.1 -68.0 -42.7 38.0 2.6 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 115.0 50.3 -65.9 -38.3 34.4 2.7 -1.8 154 154 A R H < S+ 0 0 107 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.912 124.9 23.6 -63.5 -47.5 35.5 1.9 -5.3 155 155 A T H < S- 0 0 46 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.582 85.4-135.9 -97.0 -24.7 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.685 73.9 100.5 70.9 19.3 36.4 -2.4 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.804 80.5-120.0-128.8 176.1 40.0 -2.8 -0.1 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.5 1,-0.2 4,-1.0 0.166 70.6 122.7 -98.6 18.5 42.4 -0.7 2.2 159 159 A D G >4 + 0 0 96 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.858 66.8 58.3 -55.6 -30.8 44.9 -0.1 -0.6 160 160 A A G 34 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.686 109.1 45.2 -73.4 -17.2 44.7 3.6 -0.3 161 161 A Y G <4 0 0 19 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.545 360.0 360.0-103.7 -5.9 45.7 3.5 3.3 162 162 A K << 0 0 170 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.1 0.820 360.0 360.0 -96.6 360.0 48.5 1.0 2.8