==== 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 3DMZ . 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) . 9164.0 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 . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.2 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 1 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 82 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.8 42.8 -1.7 8.9 2 2 A N > - 0 0 65 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.894 360.0 -79.0-156.5 178.5 39.5 -0.6 10.5 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.844 126.6 52.0 -59.0 -36.3 37.5 2.6 11.0 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 113.5 41.6 -65.8 -51.2 39.8 3.7 14.0 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.852 115.5 53.3 -63.4 -36.2 43.1 3.3 12.0 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.945 112.1 41.7 -64.4 -50.8 41.4 4.8 8.9 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.821 108.8 60.6 -70.7 -31.3 40.3 8.0 10.7 8 8 A R H X S+ 0 0 96 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.902 108.3 45.2 -59.4 -41.9 43.6 8.2 12.6 9 9 A I H < S+ 0 0 48 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.950 118.2 42.3 -63.0 -50.3 45.3 8.5 9.2 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.788 125.7 32.2 -71.3 -29.8 42.8 11.1 7.9 11 11 A E H < S- 0 0 42 -4,-2.8 19,-0.4 -5,-0.1 -1,-0.2 0.688 91.0-154.5-102.2 -23.4 42.5 13.2 11.0 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.174 25.2 -86.8 70.4-174.2 46.0 13.0 12.6 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.969 44.6 167.9-136.0 120.4 46.6 13.4 16.3 14 14 A R E -A 28 0A 150 14,-1.8 14,-2.5 -2,-0.4 4,-0.1 -0.998 20.3-161.1-134.1 131.1 47.2 16.8 18.0 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.472 73.1 61.3 -95.1 -3.8 47.1 17.3 21.8 16 16 A K E S-C 57 0B 147 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.911 102.1 -82.2-119.0 151.0 46.6 21.1 21.9 17 17 A I E + 0 0 31 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.241 59.7 166.2 -50.2 128.6 43.6 23.1 20.5 18 18 A Y E -A 26 0A 27 8,-2.7 8,-3.0 -4,-0.1 2,-0.5 -0.888 37.9-102.7-138.4 168.0 44.1 23.6 16.7 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.852 34.0-137.0 -99.2 133.1 41.9 24.8 13.8 20 20 A D > - 0 0 45 4,-2.9 3,-1.8 -2,-0.5 -1,-0.1 0.021 41.9 -77.7 -74.0-172.9 40.5 22.1 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.730 134.3 49.3 -63.0 -23.1 40.4 22.4 7.6 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.407 124.0-102.6 -95.2 -0.5 37.3 24.6 7.9 23 23 A G S < S+ 0 0 38 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.565 75.4 140.1 91.3 12.1 39.0 26.9 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.721 60.6-101.9 -96.6 138.0 37.1 25.5 13.5 25 25 A Y E +A 19 0A 36 11,-0.4 8,-2.6 9,-0.4 9,-1.2 -0.299 54.8 160.3 -56.9 131.0 38.6 24.8 16.9 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.7 6,-0.3 2,-0.3 -0.907 20.1-164.3-149.3 160.7 39.4 21.1 17.3 27 27 A I E > - B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 -12,-0.2 -0.972 52.0 -0.4-148.4 164.5 41.6 18.8 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.8 -2,-0.3 2,-0.9 -0.336 124.1 -3.6 65.9-126.8 42.9 15.2 19.5 29 29 A I T 4 S- 0 0 1 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.669 128.7 -53.6-104.6 74.4 41.8 13.0 16.6 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.828 81.8 163.5 62.8 33.3 39.5 15.4 14.7 31 31 A H E < -B 27 0A 31 -4,-2.4 -4,-1.7 -20,-0.1 -1,-0.2 -0.738 32.0-143.0 -84.7 100.0 37.3 16.2 17.7 32 32 A L E -B 26 0A 77 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.422 19.0-175.6 -60.6 125.2 35.4 19.3 16.7 33 33 A L - 0 0 11 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.880 58.2 -35.0 -90.1 -44.1 35.1 21.6 19.8 34 34 A T - 0 0 29 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.956 35.2-129.3-174.0 155.5 32.9 24.4 18.4 35 35 A K S S+ 0 0 130 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.436 75.3 115.0 -93.8 -2.5 32.2 26.5 15.3 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.389 69.9-136.5 -67.0 140.0 32.6 29.6 17.4 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.513 77.2 104.5 -74.4 -1.2 35.5 32.0 16.6 38 38 A S > - 0 0 48 1,-0.2 4,-1.7 2,-0.0 -2,-0.1 -0.712 56.5-163.1 -87.1 118.7 36.0 32.3 20.4 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.865 95.2 56.2 -63.4 -37.4 39.0 30.4 21.7 40 40 A N H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 105.6 51.1 -61.0 -39.1 37.6 30.8 25.2 41 41 A A H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.864 110.7 49.4 -64.3 -38.2 34.4 29.1 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.916 109.1 51.1 -64.6 -45.7 36.5 26.2 22.5 43 43 A K H X S+ 0 0 51 -4,-2.6 4,-2.3 1,-0.2 11,-0.3 0.873 108.8 52.2 -61.5 -38.8 38.4 25.8 25.8 44 44 A S H X S+ 0 0 69 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.927 109.5 48.5 -61.0 -48.8 35.0 25.6 27.7 45 45 A E H X S+ 0 0 67 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.876 110.6 52.7 -59.6 -40.0 33.8 22.9 25.3 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.926 109.1 47.8 -60.8 -48.5 37.1 21.0 25.8 47 47 A D H X>S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 5,-1.0 0.891 112.7 49.4 -59.7 -42.8 36.7 21.1 29.6 48 48 A K H <5S+ 0 0 146 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.875 112.9 47.8 -62.9 -40.3 33.1 19.9 29.4 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.911 121.3 34.4 -66.7 -44.8 34.2 17.1 27.0 50 50 A I H <5S- 0 0 36 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.749 102.8-126.3 -84.7 -30.2 37.1 15.9 29.2 51 51 A G T <5S+ 0 0 68 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.754 76.8 74.9 85.3 27.6 35.6 16.7 32.6 52 52 A R S - 0 0 15 -2,-1.0 3,-0.8 -11,-0.3 -1,-0.2 0.731 34.4-144.7 -94.2 -28.3 42.4 21.6 30.8 55 55 A N T 3 S- 0 0 115 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.919 74.8 -51.2 44.5 51.9 43.4 25.1 29.4 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.433 116.1 97.4 82.9 1.7 43.6 23.7 25.8 57 57 A V B < +C 16 0B 70 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.988 42.3 175.3-130.7 133.4 45.9 20.7 26.3 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.839 29.0-108.2-127.9 165.3 45.0 17.0 26.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.415 32.1-109.3 -85.7 167.6 46.8 13.7 27.0 60 60 A K H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 121.1 54.0 -61.9 -41.8 47.0 11.0 24.3 61 61 A D H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 109.9 47.0 -57.1 -46.1 44.8 8.7 26.5 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.901 111.0 51.6 -63.9 -42.2 42.2 11.5 26.7 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -34,-0.4 0.911 110.9 47.8 -60.5 -44.5 42.3 12.2 22.9 64 64 A E H X S+ 0 0 74 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.835 108.8 55.3 -65.9 -34.7 41.8 8.4 22.2 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.960 110.6 43.6 -62.7 -51.5 38.9 8.4 24.7 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.876 112.4 55.6 -57.5 -39.9 37.1 11.2 22.9 67 67 A F H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.939 106.5 48.2 -60.6 -50.2 37.9 9.5 19.6 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.911 113.2 48.8 -55.7 -44.5 36.3 6.3 20.6 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.905 111.2 50.2 -60.6 -43.7 33.2 8.2 21.7 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.862 111.5 46.9 -65.8 -40.0 33.1 10.2 18.4 71 71 A V H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.946 114.2 48.5 -65.3 -47.9 33.3 7.0 16.3 72 72 A D H X S+ 0 0 84 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.933 111.8 49.4 -54.8 -50.8 30.6 5.4 18.4 73 73 A A H X S+ 0 0 59 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.825 108.7 52.9 -60.2 -36.5 28.4 8.5 18.1 74 74 A A H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.927 112.2 44.6 -65.2 -46.6 28.8 8.6 14.3 75 75 A V H X S+ 0 0 31 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.939 113.8 49.6 -59.9 -51.0 27.7 5.0 13.9 76 76 A R H X S+ 0 0 127 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.885 110.2 52.2 -58.9 -39.4 24.8 5.4 16.3 77 77 A G H X S+ 0 0 12 -4,-2.2 4,-0.6 -5,-0.2 3,-0.3 0.897 107.9 50.4 -61.1 -44.4 23.8 8.6 14.4 78 78 A I H >< S+ 0 0 3 -4,-2.0 3,-1.0 1,-0.2 7,-0.4 0.913 109.2 51.5 -58.6 -45.5 23.8 6.7 11.0 79 79 A L H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.720 110.9 48.5 -68.9 -21.0 21.6 3.9 12.5 80 80 A R H 3< S+ 0 0 171 -4,-1.1 2,-0.6 -3,-0.3 -1,-0.2 0.468 93.2 90.2 -95.5 -5.1 19.1 6.5 13.8 81 81 A N XX - 0 0 40 -3,-1.0 4,-2.7 -4,-0.6 3,-1.0 -0.850 64.5-155.1 -97.1 117.0 18.9 8.4 10.4 82 82 A A T 34 S+ 0 0 87 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.762 95.1 51.5 -60.4 -27.3 16.2 7.0 8.1 83 83 A K T 34 S+ 0 0 161 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.690 119.2 33.5 -84.2 -18.0 18.0 8.3 5.0 84 84 A L T <> S+ 0 0 16 -3,-1.0 4,-2.6 -6,-0.3 5,-0.2 0.752 100.5 72.7-108.3 -34.2 21.4 6.7 6.0 85 85 A K H X S+ 0 0 89 -4,-2.7 4,-3.1 -7,-0.4 5,-0.2 0.900 96.2 50.5 -53.0 -51.4 20.5 3.4 7.7 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.921 114.3 43.8 -56.6 -47.0 19.3 1.5 4.6 87 87 A V H > S+ 0 0 9 -4,-0.2 4,-0.8 2,-0.2 3,-0.3 0.952 115.2 49.0 -63.0 -48.0 22.5 2.3 2.6 88 88 A Y H >< S+ 0 0 33 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.919 111.0 49.8 -55.8 -47.8 24.7 1.6 5.5 89 89 A D H 3< S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.1 57.8 -61.1 -31.7 23.0 -1.8 6.2 90 90 A S H 3< S+ 0 0 37 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.641 95.5 87.4 -73.4 -17.1 23.4 -2.7 2.5 91 91 A L S << S- 0 0 8 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.466 77.6-116.9 -88.3 154.8 27.2 -2.3 2.6 92 92 A D > - 0 0 56 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.375 43.8 -95.8 -71.6 165.9 30.0 -4.6 3.5 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.756 121.9 52.9 -62.3 -32.4 32.2 -3.8 6.5 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.940 113.2 43.4 -68.7 -46.9 35.0 -2.0 4.6 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.814 107.2 61.5 -69.3 -29.7 32.5 0.3 2.8 96 96 A R H X S+ 0 0 80 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.877 101.3 53.6 -58.3 -40.5 30.7 0.8 6.1 97 97 A A H X S+ 0 0 5 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.915 106.0 52.4 -60.6 -44.5 34.0 2.3 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.881 110.0 49.5 -57.5 -41.8 34.0 4.8 4.5 99 99 A A H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.910 110.7 48.3 -62.8 -46.2 30.5 5.8 5.4 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.898 107.7 57.5 -61.3 -41.4 31.4 6.3 9.0 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.926 106.6 47.8 -52.5 -51.9 34.4 8.4 7.8 102 102 A M H X S+ 0 0 12 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.901 113.0 47.5 -57.4 -46.5 32.2 10.8 5.9 103 103 A V H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.909 109.9 53.5 -64.3 -42.5 29.8 11.3 8.8 104 104 A F H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.2 39.8 -54.8 -45.5 32.7 11.8 11.2 105 105 A Q H < S+ 0 0 51 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.924 135.2 13.4 -74.1 -45.9 34.0 14.6 8.9 106 106 A M H X S- 0 0 44 -4,-2.9 4,-1.0 -5,-0.2 -3,-0.2 0.555 93.6-135.8-115.0 -8.6 30.8 16.4 7.8 107 107 A G H X - 0 0 26 -4,-2.4 4,-1.1 -5,-0.4 -1,-0.1 -0.050 42.7 -65.7 74.8 175.5 28.1 15.2 10.1 108 108 A E H 4 S+ 0 0 70 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.841 136.8 54.4 -70.5 -33.3 24.6 14.1 9.0 109 109 A T H >4 S+ 0 0 128 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.889 106.9 53.9 -62.9 -38.4 23.7 17.7 7.9 110 110 A G H 3< S+ 0 0 29 -4,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.803 109.7 46.0 -64.5 -32.9 26.9 17.6 5.8 111 111 A V T >< S+ 0 0 10 -4,-1.1 3,-1.7 1,-0.2 -1,-0.2 0.392 82.2 99.1 -93.4 2.4 25.8 14.3 4.0 112 112 A A G X S+ 0 0 63 -3,-0.8 3,-0.6 -4,-0.4 -1,-0.2 0.809 81.5 53.1 -59.2 -32.6 22.1 15.5 3.4 113 113 A G G 3 S+ 0 0 71 -3,-0.4 3,-0.4 -4,-0.3 -1,-0.3 0.453 87.1 83.0 -82.3 -0.1 23.0 16.4 -0.3 114 114 A F G <> + 0 0 23 -3,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.168 51.6 121.4 -92.3 20.0 24.5 13.0 -1.0 115 115 A T H <> S+ 0 0 64 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.861 76.4 44.5 -48.1 -48.4 21.1 11.4 -1.7 116 116 A N H > S+ 0 0 87 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.878 113.0 50.3 -69.1 -40.0 22.0 10.4 -5.3 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 109.8 52.9 -58.9 -44.9 25.4 9.0 -4.3 118 118 A L H X S+ 0 0 33 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.872 107.1 50.8 -60.3 -43.4 23.6 7.0 -1.6 119 119 A R H X S+ 0 0 125 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.936 111.1 48.6 -58.4 -47.9 21.2 5.5 -4.1 120 120 A M H <>S+ 0 0 44 -4,-2.0 5,-2.8 1,-0.2 4,-0.3 0.863 111.2 50.4 -63.6 -37.7 24.1 4.5 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-2.3 3,-0.9 3,-0.2 -1,-0.2 0.897 109.9 49.4 -65.2 -43.4 26.0 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 110.9 50.8 -62.9 -35.2 22.9 1.0 -2.3 123 123 A Q T 3<5S- 0 0 90 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.549 112.7-125.2 -74.8 -10.2 22.6 -0.2 -5.9 124 124 A K T < 5 + 0 0 96 -3,-0.9 2,-1.2 -4,-0.3 -3,-0.2 0.828 60.1 148.4 62.4 35.9 26.3 -1.3 -5.8 125 125 A R >< + 0 0 121 -5,-2.8 4,-2.9 1,-0.2 5,-0.2 -0.674 20.4 173.8 -94.4 76.5 27.1 0.9 -8.8 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.837 68.8 44.4 -64.7 -44.0 30.5 1.5 -7.5 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 117.6 46.2 -66.6 -43.6 32.1 3.4 -10.4 128 128 A E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 112.7 50.4 -62.9 -44.1 29.0 5.6 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -9,-0.2 -2,-0.2 0.924 109.2 52.2 -58.8 -45.2 28.8 6.2 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.879 109.5 48.4 -60.5 -43.3 32.5 7.2 -7.1 131 131 A V H X S+ 0 0 88 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.914 113.8 47.2 -61.7 -45.2 32.0 9.7 -9.9 132 132 A N H >< S+ 0 0 40 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.874 106.9 56.7 -65.4 -39.5 29.0 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.836 102.2 56.6 -61.0 -35.9 30.7 11.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.8 1,-0.2 -1,-0.2 0.652 86.2 82.3 -71.7 -18.5 33.5 13.6 -6.3 135 135 A K S << S+ 0 0 164 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.520 81.0 96.5 -85.3 68.8 31.0 16.2 -7.6 136 136 A S S > S- 0 0 18 -2,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.992 86.4-115.6-155.5 153.0 30.9 17.9 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.917 116.5 62.6 -52.5 -44.7 32.2 20.7 -2.0 138 138 A W H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.916 105.0 42.7 -46.2 -56.9 33.6 17.9 0.1 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.6 49.8 -60.3 -42.9 35.9 16.6 -2.7 140 140 A N H < S+ 0 0 113 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.0 40.3 -66.3 -41.5 36.9 20.1 -3.8 141 141 A Q H < S+ 0 0 112 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.863 133.4 21.1 -78.2 -38.9 37.9 21.3 -0.3 142 142 A T S X S+ 0 0 18 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 -0.574 73.5 159.6-126.6 70.4 39.5 18.0 0.9 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.875 70.6 51.0 -62.6 -42.7 40.5 16.2 -2.3 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.931 116.6 40.3 -64.8 -44.8 43.2 13.9 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 115.3 51.9 -66.7 -44.0 41.1 12.5 1.8 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.914 107.0 53.9 -59.3 -42.4 37.9 12.4 -0.4 147 147 A K H X S+ 0 0 102 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.873 109.6 47.9 -58.5 -40.1 39.9 10.4 -3.0 148 148 A R H X S+ 0 0 56 -4,-1.4 4,-1.8 2,-0.2 12,-0.2 0.921 114.8 44.6 -66.2 -45.1 40.9 7.8 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.915 114.8 49.3 -65.8 -44.3 37.3 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.886 108.7 52.2 -62.7 -42.3 35.9 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-2.7 -5,-0.2 6,-0.4 0.880 107.8 53.3 -61.6 -37.1 38.5 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.922 111.8 44.2 -62.9 -45.8 37.3 2.7 -0.5 153 153 A F H < S+ 0 0 5 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.858 115.8 49.4 -63.1 -38.4 33.7 2.9 -1.7 154 154 A R H < S+ 0 0 107 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.913 126.7 21.2 -68.0 -44.3 34.7 2.1 -5.3 155 155 A T H < S- 0 0 40 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.688 85.5-133.7-100.6 -26.6 36.8 -1.0 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.767 73.9 108.2 65.5 26.4 35.7 -2.3 -1.0 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.810 79.4-124.3-125.0 169.0 39.4 -2.6 -0.1 158 158 A W S >> S+ 0 0 57 -2,-0.3 3,-2.2 1,-0.2 4,-0.5 0.140 72.0 120.6 -95.5 17.6 41.8 -0.7 2.1 159 159 A D G >4 + 0 0 117 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.794 67.2 58.4 -55.6 -34.4 44.2 -0.1 -0.9 160 160 A A G 34 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.616 108.8 46.8 -73.4 -10.9 44.0 3.7 -0.5 161 161 A Y G X4 S+ 0 0 1 -3,-2.2 3,-0.8 -13,-0.1 2,-0.4 0.403 84.4 107.1-111.1 -0.4 45.3 3.5 3.0 162 162 A K T << S+ 0 0 162 -3,-0.8 -3,-0.0 -4,-0.5 0, 0.0 -0.695 83.4 26.9 -81.3 132.2 48.2 1.0 2.4 163 163 A N T 3 0 0 165 1,-0.4 -1,-0.2 -2,-0.4 -2,-0.1 -0.043 360.0 360.0 100.7 -25.0 51.6 2.9 2.6 164 164 A L < 0 0 126 -3,-0.8 -1,-0.4 0, 0.0 -155,-0.1 -0.544 360.0 360.0 -95.5 360.0 50.1 5.4 5.0