==== 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 1CUQ . 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) . 8711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 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 83 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 152.6 43.5 -2.0 9.3 2 2 A N > - 0 0 70 1,-0.1 4,-3.1 156,-0.0 5,-0.2 -0.949 360.0 -79.7-156.0 178.5 40.3 -0.7 10.9 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.9 1,-0.3 5,-0.3 0.858 124.3 49.1 -54.5 -42.8 38.1 2.3 11.4 4 4 A F H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.938 113.6 43.6 -68.4 -45.9 40.2 3.6 14.2 5 5 A E H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 113.1 55.6 -65.1 -35.8 43.5 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.963 111.1 39.4 -65.1 -50.7 41.9 4.7 9.4 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.835 109.7 62.0 -68.6 -27.1 40.7 7.9 10.9 8 8 A R H X S+ 0 0 98 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.911 107.1 45.9 -64.9 -34.2 43.8 8.3 13.0 9 9 A I H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.950 114.6 46.9 -72.0 -46.3 45.6 8.5 9.8 10 10 A D H < S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.810 123.9 29.1 -63.9 -34.0 43.2 10.9 8.2 11 11 A E H < S- 0 0 48 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.618 92.2-150.4-105.6 -16.9 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.5 2,-0.3 -5,-0.3 -1,-0.2 -0.215 25.4 -82.7 77.8-170.0 46.2 13.1 12.9 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.941 43.6 171.8-145.5 121.3 46.7 13.7 16.6 14 14 A R E -A 28 0A 142 14,-2.0 14,-2.6 -2,-0.3 4,-0.1 -1.000 19.3-166.6-136.8 131.7 47.1 17.0 18.4 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.1 12,-0.2 2,-0.4 0.437 73.5 64.7 -97.6 -1.3 47.2 17.7 22.0 16 16 A K E S-C 57 0B 101 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.931 100.0 -88.4-123.7 143.7 46.8 21.4 21.9 17 17 A I E + 0 0 15 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.168 58.0 171.6 -48.1 136.3 43.8 23.2 20.6 18 18 A Y E -A 26 0A 26 8,-3.5 8,-3.3 -4,-0.1 2,-0.5 -0.885 35.2-107.2-142.2 171.4 44.1 23.8 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.876 34.4-139.7-100.5 134.7 42.1 25.1 13.9 20 20 A D > - 0 0 50 4,-3.0 3,-2.2 -2,-0.5 -1,-0.0 -0.124 40.8 -77.9 -79.5-166.4 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 135.3 48.1 -64.1 -23.4 40.9 22.8 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.327 124.0-104.7 -93.8 -0.5 37.7 25.0 7.8 23 23 A G S < S+ 0 0 34 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.601 73.9 140.9 86.8 17.9 39.3 27.1 10.5 24 24 A Y - 0 0 73 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.733 59.9 -99.8-100.1 146.9 37.3 25.7 13.5 25 25 A Y E +AB 19 34A 31 9,-0.8 8,-3.4 11,-0.5 9,-1.4 -0.392 55.6 157.9 -67.0 125.7 38.7 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-3.5 6,-0.3 2,-0.3 -0.888 18.3-172.1-138.8 169.5 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-1.8 -2,-0.3 2,-0.2 -0.983 51.4 9.1-157.2 164.7 41.7 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.7 -0.444 123.2 -9.0 72.6-131.0 42.9 15.5 19.7 29 29 A I T 4 S- 0 0 4 34,-0.3 -1,-0.2 -2,-0.2 -17,-0.1 -0.694 126.9 -51.0-108.3 73.6 41.9 13.3 16.8 30 30 A G T 4 S+ 0 0 16 -2,-0.7 2,-1.0 -19,-0.4 -2,-0.2 0.726 84.3 159.5 68.1 30.0 39.6 15.5 14.8 31 31 A H E < -B 27 0A 30 -4,-1.8 -4,-1.8 1,-0.0 -1,-0.2 -0.671 33.2-143.8 -87.6 105.1 37.4 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.399 18.3-175.9 -66.0 129.0 35.6 19.5 16.7 33 33 A L E - 0 0 13 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.880 57.6 -28.7 -92.8 -43.5 35.1 21.8 19.6 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.933 33.7-134.4-170.4 151.9 33.1 24.6 18.2 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.601 75.5 113.6 -87.6 -10.9 32.3 26.6 15.1 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.245 70.7-136.8 -60.3 143.4 32.6 29.7 17.2 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.619 76.2 104.0 -80.1 -9.8 35.5 32.0 16.3 38 38 A S > - 0 0 46 1,-0.1 4,-1.7 -13,-0.0 -2,-0.1 -0.602 56.0-162.1 -81.9 125.1 36.1 32.5 20.1 39 39 A L H > S+ 0 0 66 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.807 93.0 55.8 -73.5 -31.4 38.9 30.7 21.7 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.907 105.8 50.9 -69.2 -41.3 37.5 31.1 25.1 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 110.7 50.7 -61.2 -38.1 34.4 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.901 110.0 49.0 -64.5 -43.4 36.6 26.6 22.6 43 43 A K H X S+ 0 0 56 -4,-2.5 4,-2.3 1,-0.2 11,-0.2 0.917 110.8 51.1 -64.7 -40.5 38.5 26.3 25.9 44 44 A S H X S+ 0 0 72 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.913 110.7 47.1 -61.0 -47.6 35.2 26.2 27.8 45 45 A E H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.919 111.0 53.9 -62.4 -42.7 33.8 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.3 0.944 109.7 45.7 -59.2 -40.6 37.1 21.6 25.9 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 5,-1.4 0.925 111.1 53.1 -69.2 -40.5 36.9 21.7 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 111.7 46.3 -58.5 -42.2 33.3 20.7 29.6 49 49 A A H <5S+ 0 0 46 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.862 119.2 39.1 -69.0 -40.3 34.2 17.6 27.4 50 50 A I H <5S- 0 0 32 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.703 102.8-125.8 -85.6 -28.4 37.1 16.5 29.5 51 51 A G T <5S+ 0 0 71 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.791 76.8 67.9 85.4 26.7 35.7 17.2 32.9 52 52 A R S - 0 0 11 -2,-0.8 3,-0.8 -11,-0.2 -1,-0.2 0.759 35.9-142.3 -99.3 -29.2 42.7 21.9 30.9 55 55 A N T 3 S- 0 0 108 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.921 73.3 -54.7 65.0 40.9 43.8 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.566 118.9 96.1 73.3 6.8 43.7 24.1 26.1 57 57 A V B < +C 16 0B 68 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.992 45.2 176.6-133.2 139.9 45.9 21.1 26.5 58 58 A I - 0 0 5 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.881 27.8-106.0-131.5 169.2 45.0 17.4 27.0 59 59 A T > - 0 0 65 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.514 32.7-107.5 -93.5 167.2 46.8 14.1 27.3 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 121.0 52.8 -54.4 -45.4 47.1 11.3 24.8 61 61 A D H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 108.4 49.8 -59.5 -46.8 44.8 9.2 26.9 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 110.4 50.4 -57.7 -47.3 42.2 12.0 27.0 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -34,-0.3 0.925 110.3 51.1 -56.0 -47.0 42.4 12.4 23.2 64 64 A E H X S+ 0 0 81 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.867 107.7 52.7 -60.2 -34.4 41.9 8.7 22.8 65 65 A K H X S+ 0 0 135 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.958 109.1 47.3 -70.8 -41.3 38.9 8.8 25.0 66 66 A L H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.900 111.3 54.7 -62.1 -37.6 37.3 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.966 105.6 49.5 -64.6 -48.7 38.1 9.6 19.8 68 68 A N H X S+ 0 0 89 -4,-2.7 4,-2.2 1,-0.3 5,-0.2 0.925 113.0 47.9 -56.8 -42.4 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 94 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.3 0.875 111.3 50.4 -66.4 -36.2 33.3 8.3 21.9 70 70 A D H X S+ 0 0 35 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.896 110.0 49.1 -72.3 -32.8 33.3 10.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.960 112.7 49.3 -67.4 -44.2 33.6 6.9 16.6 72 72 A D H X S+ 0 0 94 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.945 109.3 49.9 -60.9 -45.4 30.9 5.4 18.6 73 73 A A H X S+ 0 0 55 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.3 0.894 108.6 54.3 -62.1 -36.8 28.6 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.949 108.5 47.8 -62.3 -47.6 29.2 8.3 14.3 75 75 A V H X S+ 0 0 30 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 114.4 47.8 -59.9 -39.6 28.2 4.7 14.0 76 76 A R H X S+ 0 0 125 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.906 105.6 56.7 -72.0 -34.2 25.2 5.4 16.1 77 77 A G H X S+ 0 0 6 -4,-2.9 4,-0.7 -5,-0.2 -1,-0.2 0.889 109.9 47.2 -58.4 -41.0 24.3 8.5 14.1 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 7,-0.6 0.974 112.4 48.2 -64.0 -52.9 24.3 6.2 10.9 79 79 A L H 3< S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.775 110.2 52.6 -60.5 -32.4 22.2 3.5 12.6 80 80 A R H 3< S+ 0 0 176 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.3 0.609 93.2 89.7 -79.2 -17.3 19.7 6.1 13.8 81 81 A N > S+ 0 0 3 -6,-0.2 4,-2.4 -7,-0.2 3,-0.6 0.872 100.7 66.6 -81.8 -42.7 21.7 6.1 6.2 85 85 A K H 3X S+ 0 0 87 -4,-3.4 4,-3.2 -7,-0.6 5,-0.3 0.936 98.3 52.0 -45.2 -51.5 21.0 2.8 7.9 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.883 111.0 48.5 -59.8 -33.4 19.9 1.0 4.8 87 87 A V H <> S+ 0 0 4 -3,-0.6 4,-0.7 -4,-0.5 3,-0.3 0.961 111.5 48.5 -69.9 -45.1 23.0 2.0 3.0 88 88 A Y H >< S+ 0 0 30 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.878 109.3 53.8 -61.8 -37.6 25.2 1.0 5.7 89 89 A D H 3< S+ 0 0 70 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.837 103.4 56.0 -70.2 -29.7 23.6 -2.3 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.4 -1,-0.3 -3,-0.3 2,-0.2 0.625 95.6 87.5 -77.7 -15.0 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-0.8 31,-0.0 -4,-0.7 2,-0.0 -0.598 76.2-113.6 -87.2 164.0 27.7 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.231 44.2 -93.6 -80.2 173.2 30.7 -5.0 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.862 122.2 47.6 -61.6 -38.1 33.0 -4.3 6.3 94 94 A V H >> S+ 0 0 26 1,-0.2 4,-1.5 62,-0.2 3,-0.6 0.966 111.9 49.0 -68.9 -48.8 35.5 -2.2 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.883 104.9 59.0 -58.3 -39.7 33.0 -0.1 2.7 96 96 A R H 3X S+ 0 0 77 -4,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.908 101.4 55.5 -50.9 -42.4 31.2 0.6 6.0 97 97 A A H S+ 0 0 80 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.815 132.7 52.4 -48.7 -45.9 24.9 13.7 9.5 109 109 A T H > S+ 0 0 119 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.910 108.5 46.8 -61.5 -50.8 24.0 16.8 7.6 110 110 A G H >< S+ 0 0 27 -4,-1.3 3,-1.1 -3,-0.3 4,-0.3 0.964 114.7 49.0 -58.3 -50.2 27.0 16.8 5.3 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.863 100.7 66.5 -57.5 -36.8 26.5 13.1 4.6 112 112 A A H >< S+ 0 0 51 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.790 91.6 61.4 -47.4 -46.9 22.8 13.7 3.9 113 113 A G T << S+ 0 0 66 -3,-1.1 3,-0.4 -4,-1.0 -1,-0.3 0.494 86.7 74.7 -66.9 -8.0 23.6 15.7 0.8 114 114 A F T <> + 0 0 26 -3,-1.9 4,-2.8 -4,-0.3 5,-0.3 0.066 57.3 133.2 -92.8 29.8 25.2 12.7 -0.9 115 115 A T H <> S+ 0 0 76 -3,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.872 71.0 46.3 -45.9 -47.2 21.8 11.2 -1.5 116 116 A N H > S+ 0 0 93 -3,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.898 112.6 47.2 -66.9 -42.3 22.6 10.4 -5.1 117 117 A S H > S+ 0 0 2 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 110.2 56.4 -64.4 -35.6 26.0 8.9 -4.4 118 118 A L H X S+ 0 0 16 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.918 103.4 52.9 -62.5 -41.8 24.4 6.9 -1.6 119 119 A R H X S+ 0 0 127 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.904 109.8 49.3 -60.4 -37.3 21.9 5.4 -3.9 120 120 A M H <>S+ 0 0 36 -4,-1.4 5,-2.2 2,-0.2 4,-0.3 0.852 108.4 51.5 -69.6 -39.1 24.7 4.3 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.933 109.3 52.4 -64.3 -40.6 26.6 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.878 108.3 49.7 -61.1 -35.8 23.5 0.9 -2.3 123 123 A Q T 3<5S- 0 0 89 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.476 113.8-120.3 -80.7 -2.9 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 102 -3,-1.9 2,-1.4 -4,-0.3 -3,-0.2 0.731 61.9 148.3 69.3 28.6 26.8 -1.5 -5.8 125 125 A R >< + 0 0 104 -5,-2.2 4,-2.4 1,-0.2 -1,-0.2 -0.688 21.3 175.9 -91.8 80.2 27.7 0.7 -8.8 126 126 A W H > + 0 0 53 -2,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.900 68.4 41.5 -59.6 -53.1 31.2 1.3 -7.6 127 127 A D H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 115.9 50.8 -67.3 -37.6 32.8 3.3 -10.3 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.915 109.5 49.4 -65.5 -44.9 29.8 5.4 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.901 108.3 55.1 -57.3 -42.3 29.5 6.3 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.892 109.9 47.1 -59.1 -39.4 33.2 7.2 -7.1 131 131 A V H X S+ 0 0 93 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.960 113.8 46.3 -68.3 -49.9 32.6 9.6 -9.9 132 132 A N H >< S+ 0 0 35 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.910 108.8 54.8 -60.1 -40.6 29.5 11.1 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.4 6,-0.4 1,-0.3 -1,-0.2 0.876 101.0 61.2 -61.6 -32.7 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-1.7 -3,-0.3 -1,-0.3 0.731 85.1 79.6 -66.4 -21.1 34.0 13.4 -6.5 135 135 A K S << S+ 0 0 164 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.569 79.6 99.6 -87.4 72.7 31.5 16.1 -7.7 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.996 83.9-119.4-155.4 150.3 31.4 17.8 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.6 2,-0.2 5,-0.2 0.912 115.8 63.8 -53.2 -42.7 32.7 20.7 -2.3 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.943 105.7 41.2 -47.8 -51.0 34.1 17.9 -0.0 139 139 A Y H 4 S+ 0 0 67 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.8 49.9 -69.3 -39.7 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.896 116.6 42.1 -66.8 -32.6 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 106 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.877 130.2 20.4 -81.9 -40.2 38.2 21.1 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 -0.686 72.9 164.1-130.5 72.7 40.1 18.1 1.0 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.863 68.2 51.4 -59.1 -48.8 41.1 16.2 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.929 117.3 39.3 -61.6 -44.2 43.8 13.8 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 114.3 53.4 -69.2 -48.9 41.5 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.927 107.9 52.7 -52.4 -43.0 38.5 12.5 -0.2 147 147 A K H X S+ 0 0 91 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.881 107.2 51.7 -61.3 -40.6 40.5 10.4 -2.7 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.7 2,-0.2 12,-0.2 0.932 113.6 42.9 -61.0 -45.4 41.4 7.9 -0.0 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.900 112.8 52.4 -66.1 -45.1 37.8 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.901 109.1 50.1 -57.0 -43.1 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 39 -4,-2.2 4,-3.1 -5,-0.2 6,-0.4 0.878 107.9 55.0 -63.9 -36.3 39.1 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.944 110.3 43.7 -62.5 -48.9 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.6 51.0 -61.3 -40.1 34.3 2.8 -1.7 154 154 A R H < S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.939 123.2 24.3 -62.7 -48.4 35.4 1.9 -5.1 155 155 A T H < S- 0 0 46 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.549 84.8-135.0 -97.1 -17.8 37.6 -1.0 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.2 1,-0.2 -62,-0.2 0.661 75.5 98.4 67.2 15.4 36.3 -2.5 -1.1 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.2 -0.776 81.1-119.5-124.7 177.3 40.1 -2.8 -0.0 158 158 A W >> + 0 0 42 -2,-0.2 3,-2.8 1,-0.2 4,-0.7 0.193 68.9 125.1 -99.9 15.4 42.4 -0.7 2.2 159 159 A D G >4 + 0 0 96 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.797 68.1 56.7 -48.3 -30.4 44.9 -0.1 -0.6 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.613 107.7 49.1 -79.4 -9.6 44.7 3.8 -0.2 161 161 A Y G <4 0 0 22 -3,-2.8 -1,-0.2 -13,-0.1 -2,-0.2 0.479 360.0 360.0-107.4 -1.3 45.7 3.5 3.4 162 162 A K << 0 0 177 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.814 360.0 360.0-102.5 360.0 48.6 1.2 2.7