==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-04 1SX2 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.M.MOOERS,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8590.0 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 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 2 0 1 2 1 0 0 1 1 1 0 0 0 0 0 1 0 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, 0.0 161,-0.0 0.000 360.0 360.0 360.0 143.8 43.2 -1.6 8.8 2 2 A N > - 0 0 67 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.908 360.0 -79.9-154.5 178.6 40.0 -0.7 10.5 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.825 126.1 51.3 -61.4 -36.9 37.9 2.5 11.1 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.950 113.1 43.6 -66.6 -48.5 40.1 3.7 14.0 5 5 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.882 114.0 53.1 -62.3 -37.6 43.4 3.4 12.0 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.943 112.5 42.1 -62.4 -52.2 41.6 4.9 8.9 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.851 109.2 58.8 -69.1 -30.4 40.4 8.0 10.8 8 8 A R H X S+ 0 0 108 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.912 108.9 46.0 -64.7 -40.6 43.7 8.3 12.6 9 9 A I H < S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.934 117.8 42.9 -58.6 -47.7 45.4 8.6 9.2 10 10 A D H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.789 126.2 29.9 -73.9 -30.2 42.8 11.1 7.9 11 11 A E H < S- 0 0 37 -4,-2.6 19,-0.5 -5,-0.1 -3,-0.2 0.634 90.4-151.2-105.8 -20.1 42.6 13.2 11.1 12 12 A G < - 0 0 22 -4,-2.2 2,-0.4 -5,-0.3 -1,-0.1 -0.090 24.3 -88.1 72.4-175.6 46.1 13.1 12.7 13 13 A L + 0 0 47 16,-0.2 2,-0.4 -4,-0.1 16,-0.2 -0.975 44.5 168.4-138.5 121.2 46.7 13.4 16.5 14 14 A R E -A 28 0A 134 14,-2.0 14,-2.3 -2,-0.4 4,-0.1 -1.000 21.5-161.2-134.8 135.3 47.3 16.8 18.2 15 15 A L E S+ 0 0 70 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.510 75.2 59.4 -97.0 -5.8 47.3 17.3 21.9 16 16 A K E S-C 57 0B 49 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.852 100.9 -86.9-117.6 154.3 46.7 21.1 21.9 17 17 A I E + 0 0 31 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.374 57.9 164.7 -57.8 135.6 43.7 23.0 20.4 18 18 A Y E -A 26 0A 28 8,-2.6 8,-2.8 6,-0.1 2,-0.5 -0.912 39.8 -96.6-143.7 170.9 44.3 23.7 16.7 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.845 36.1-141.8 -98.1 131.5 42.2 24.8 13.7 20 20 A D > - 0 0 42 4,-2.5 3,-2.1 -2,-0.5 -1,-0.1 0.039 43.4 -75.5 -75.4-173.2 41.0 22.1 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.722 134.7 49.9 -60.4 -24.0 40.8 22.3 7.6 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.273 122.4-104.0 -94.4 1.3 37.7 24.6 7.9 23 23 A G S < S+ 0 0 40 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.594 76.4 138.3 86.1 14.4 39.3 26.9 10.4 24 24 A Y - 0 0 75 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.766 61.7-101.1-103.7 140.1 37.5 25.4 13.4 25 25 A Y E +A 19 0A 35 11,-0.4 8,-2.7 -2,-0.4 9,-1.3 -0.328 54.2 159.7 -62.5 130.5 38.9 24.7 16.8 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-2.6 6,-0.3 2,-0.3 -0.875 18.4-170.4-144.8 160.1 39.6 21.0 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 2,-0.2 -0.979 51.8 8.5-150.7 167.3 41.8 18.7 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-2.0 -2,-0.3 2,-0.8 -0.467 122.6 -11.4 72.9-133.2 42.8 15.1 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.2 -16,-0.2 -0.803 128.8 -48.0-105.5 78.2 41.9 12.9 16.6 30 30 A G T 4 S+ 0 0 11 -2,-0.8 2,-1.1 -19,-0.5 -2,-0.2 0.779 83.5 161.2 63.8 32.0 39.6 15.2 14.7 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.8 -20,-0.1 2,-0.2 -0.708 30.9-147.1 -87.9 101.1 37.5 16.1 17.7 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.482 16.8-175.9 -62.4 127.0 35.6 19.3 16.7 33 33 A L - 0 0 14 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.856 57.9 -32.8 -93.3 -42.7 35.1 21.6 19.7 34 34 A T - 0 0 32 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.4 -0.945 35.5-130.2-169.4 156.9 33.1 24.4 18.3 35 35 A K S S+ 0 0 131 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.382 75.1 116.0 -92.5 -3.3 32.5 26.5 15.2 36 36 A S - 0 0 44 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.382 68.7-137.8 -63.8 144.3 32.9 29.6 17.3 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.534 77.0 101.6 -76.0 0.8 35.8 31.9 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.689 58.6-160.5 -93.5 113.1 36.4 32.3 20.3 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.889 94.7 59.0 -57.4 -37.0 39.2 30.3 21.6 40 40 A N H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 103.7 50.3 -63.1 -36.8 37.7 30.8 25.0 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 111.4 49.0 -62.5 -40.3 34.5 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.900 109.8 52.0 -64.0 -41.2 36.6 26.2 22.4 43 43 A K H X S+ 0 0 42 -4,-2.8 4,-2.3 2,-0.2 11,-0.3 0.892 108.8 50.5 -65.3 -37.8 38.5 25.9 25.7 44 44 A S H X S+ 0 0 72 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.924 109.8 50.0 -65.2 -42.3 35.2 25.7 27.7 45 45 A E H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.919 110.3 51.6 -58.5 -42.0 33.9 23.0 25.4 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.936 108.4 48.8 -60.9 -48.0 37.2 21.1 25.9 47 47 A D H X>S+ 0 0 25 -4,-2.3 4,-2.6 1,-0.2 5,-0.9 0.894 113.2 48.8 -64.1 -37.3 37.0 21.2 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.860 110.0 51.2 -67.0 -38.4 33.5 20.0 29.6 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.855 121.8 31.8 -64.4 -40.0 34.3 17.2 27.2 50 50 A I H <5S- 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.707 103.0-124.7 -95.4 -23.5 37.2 15.9 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.773 78.6 80.3 81.9 27.7 35.9 16.8 32.8 52 52 A R S - 0 0 14 -2,-0.9 3,-1.3 -11,-0.3 -1,-0.2 0.611 30.2-150.7-100.1 -29.3 42.4 21.9 30.5 55 55 A N T 3 S- 0 0 112 1,-0.2 -12,-0.1 -12,-0.1 -2,-0.1 0.850 80.0 -45.4 34.7 45.2 43.2 25.5 29.2 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.433 114.9 96.3 106.9 -0.7 43.7 23.8 25.8 57 57 A V B < +C 16 0B 82 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.985 39.8 176.0-132.7 132.6 45.9 20.7 26.3 58 58 A I - 0 0 4 -43,-2.7 2,-0.2 -2,-0.4 -30,-0.1 -0.842 28.6-109.1-127.2 170.0 45.0 17.1 26.7 59 59 A T > - 0 0 67 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.495 33.0-108.8 -88.9 163.4 46.9 13.8 27.0 60 60 A K H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 120.6 54.2 -56.4 -44.4 47.0 11.0 24.4 61 61 A D H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 109.8 48.4 -58.1 -40.6 44.8 8.8 26.5 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.935 109.5 51.8 -65.0 -46.8 42.2 11.6 26.6 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.908 111.4 47.1 -57.2 -44.3 42.5 12.1 22.9 64 64 A E H X S+ 0 0 89 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.857 108.3 56.6 -67.0 -33.4 41.8 8.4 22.3 65 65 A K H X S+ 0 0 134 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.939 110.1 43.4 -62.3 -48.3 39.0 8.5 24.8 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.887 112.1 55.8 -62.1 -39.6 37.2 11.3 22.8 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.936 107.6 45.8 -64.3 -44.6 38.0 9.5 19.5 68 68 A N H X S+ 0 0 92 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.915 113.2 51.5 -68.5 -34.8 36.3 6.2 20.6 69 69 A Q H X S+ 0 0 93 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.950 111.6 47.3 -58.2 -47.3 33.4 8.2 21.8 70 70 A D H X S+ 0 0 40 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.885 113.9 45.8 -65.9 -42.4 33.2 10.0 18.5 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.942 114.1 48.9 -63.4 -47.5 33.5 6.8 16.4 72 72 A A H X S+ 0 0 53 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.918 113.1 47.9 -55.3 -46.6 30.9 5.0 18.6 73 73 A A H X S+ 0 0 60 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.837 108.5 54.2 -67.5 -32.5 28.5 7.9 18.3 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.952 112.2 43.6 -65.5 -46.2 29.0 8.1 14.5 75 75 A V H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.943 115.6 48.2 -61.7 -47.8 28.0 4.5 14.1 76 76 A R H X S+ 0 0 115 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.901 112.4 49.1 -62.2 -40.9 25.1 4.7 16.6 77 77 A G H >< S+ 0 0 12 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.911 107.4 54.3 -68.7 -40.5 23.8 7.9 14.9 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 7,-0.3 0.929 107.7 51.4 -54.5 -44.5 24.0 6.3 11.4 79 79 A L H 3< S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.625 110.8 47.6 -73.3 -14.5 21.9 3.4 12.7 80 80 A R T << S+ 0 0 175 -3,-1.0 2,-0.6 -4,-0.6 -1,-0.3 0.327 93.3 93.9 -98.6 0.4 19.3 5.9 14.1 81 81 A N <> - 0 0 27 -3,-1.4 4,-2.9 -4,-0.5 -4,-0.0 -0.847 67.0-148.6-102.9 121.9 19.2 7.9 10.8 82 82 A A T 4 S+ 0 0 93 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.766 96.7 43.3 -64.3 -25.5 16.5 6.9 8.4 83 83 A K T > S+ 0 0 82 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.856 121.7 36.9 -82.7 -39.5 18.5 7.9 5.3 84 84 A L H > S+ 0 0 0 1,-0.1 4,-2.9 2,-0.1 5,-0.2 0.836 101.7 70.7 -87.8 -32.4 21.8 6.4 6.4 85 85 A K H X S+ 0 0 98 -4,-2.9 4,-2.7 -7,-0.3 5,-0.2 0.920 99.3 46.4 -55.5 -51.0 20.8 3.2 8.2 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.910 114.5 48.4 -62.1 -37.5 19.6 1.2 5.2 87 87 A V H X S+ 0 0 5 -4,-0.6 4,-1.2 2,-0.2 3,-0.3 0.969 112.1 48.9 -66.2 -48.9 22.7 2.2 3.2 88 88 A Y H >< S+ 0 0 33 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.925 112.2 48.1 -52.0 -51.6 25.0 1.2 6.2 89 89 A D H 3< S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.3 54.1 -65.9 -28.6 23.3 -2.1 6.6 90 90 A S H 3< S+ 0 0 35 -4,-1.8 -1,-0.2 -3,-0.3 2,-0.2 0.699 97.1 84.2 -75.6 -20.0 23.5 -2.9 2.9 91 91 A L S << S- 0 0 8 -4,-1.2 31,-0.0 -3,-0.9 30,-0.0 -0.599 81.7-113.9 -89.3 145.6 27.3 -2.3 2.8 92 92 A D > - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.198 42.8 -96.6 -62.3 163.2 30.1 -4.7 3.6 93 93 A A H > S+ 0 0 71 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.778 122.2 51.8 -63.0 -29.8 32.2 -3.9 6.6 94 94 A V H >> S+ 0 0 32 2,-0.2 4,-1.0 1,-0.2 3,-0.8 0.960 112.5 44.5 -70.0 -50.4 35.0 -2.2 4.6 95 95 A R H 3> S+ 0 0 27 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.852 105.3 63.2 -64.4 -31.7 32.6 0.1 2.8 96 96 A E H 3X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.865 97.3 58.6 -54.9 -40.6 30.8 0.8 6.1 97 97 A C H S+ 0 0 62 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.907 126.2 53.0 -59.4 -47.1 25.1 12.9 9.8 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.930 109.5 50.0 -59.0 -42.5 22.9 15.6 8.3 110 110 A G H >4 S+ 0 0 34 -4,-0.5 3,-0.7 1,-0.2 4,-0.2 0.923 114.8 42.7 -61.3 -46.5 25.6 16.5 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.917 107.6 59.6 -65.1 -41.5 26.1 12.9 4.7 112 112 A A H 3< S+ 0 0 9 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.743 96.1 65.7 -60.0 -19.6 22.4 12.2 4.6 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-2.0 -3,-0.7 3,-0.3 0.554 74.0 89.4 -76.9 -12.1 22.1 15.0 2.1 114 114 A F <> + 0 0 44 -3,-2.2 4,-2.8 -4,-0.2 5,-0.3 -0.331 54.1 158.5 -80.1 58.1 24.1 13.0 -0.5 115 115 A T H > + 0 0 85 -2,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.879 66.2 44.0 -56.6 -46.7 20.9 11.5 -1.8 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.925 115.1 47.4 -69.9 -41.3 22.0 10.4 -5.2 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.885 110.1 53.6 -63.5 -42.9 25.3 9.0 -4.1 118 118 A L H X S+ 0 0 13 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.886 108.6 50.2 -58.6 -41.9 23.6 7.1 -1.2 119 119 A R H X S+ 0 0 106 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.925 109.9 49.5 -64.5 -42.9 21.2 5.5 -3.8 120 120 A M H <>S+ 0 0 26 -4,-2.1 5,-2.6 1,-0.2 4,-0.3 0.884 111.6 50.1 -62.1 -40.5 24.1 4.5 -6.0 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.923 109.5 49.2 -61.9 -45.8 25.8 2.9 -3.1 122 122 A Q H 3<5S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.849 111.4 51.3 -66.4 -27.7 22.8 1.0 -2.0 123 123 A Q T 3<5S- 0 0 91 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.439 111.9-123.9 -79.6 -9.6 22.4 -0.2 -5.6 124 124 A K T < 5 + 0 0 99 -3,-1.3 2,-1.2 -4,-0.3 -3,-0.2 0.804 62.2 146.0 66.5 33.9 26.1 -1.3 -5.6 125 125 A R >< + 0 0 127 -5,-2.6 4,-2.8 1,-0.2 -1,-0.2 -0.718 21.0 172.1 -95.3 76.2 26.8 0.8 -8.6 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.859 67.9 46.3 -67.9 -40.4 30.3 1.5 -7.2 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 115.6 47.5 -67.8 -42.5 31.9 3.3 -10.2 128 128 A E H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.903 111.3 51.0 -63.3 -43.7 28.9 5.6 -10.6 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.915 108.6 52.0 -60.3 -44.9 28.7 6.3 -6.9 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.901 109.3 49.4 -60.0 -43.1 32.4 7.2 -6.9 131 131 A V H < S+ 0 0 83 -4,-2.0 4,-0.4 1,-0.2 3,-0.3 0.925 114.5 45.8 -59.7 -44.9 31.9 9.7 -9.8 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.901 105.2 58.7 -70.1 -37.0 29.0 11.3 -8.0 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.804 100.3 58.6 -60.1 -34.3 30.6 11.6 -4.6 134 134 A A T 3< S+ 0 0 27 -4,-1.1 2,-1.8 -3,-0.3 -1,-0.3 0.640 83.5 83.2 -73.2 -16.4 33.4 13.7 -6.1 135 135 A K S < S+ 0 0 158 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 -0.542 80.7 96.9 -86.2 70.7 30.9 16.3 -7.3 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.998 86.4-115.5-156.5 151.9 30.8 18.0 -4.0 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.909 115.9 62.6 -54.5 -42.5 32.2 20.8 -1.8 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.940 106.3 40.9 -46.0 -56.9 33.6 17.9 0.3 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.925 114.9 51.8 -64.0 -47.5 35.8 16.6 -2.4 140 140 A N H < S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.7 41.3 -60.0 -40.5 36.9 20.1 -3.6 141 141 A Q H < S+ 0 0 111 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.843 133.9 19.4 -81.6 -30.6 37.9 21.3 -0.1 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.3 -0.611 75.5 160.2-132.6 72.4 39.6 18.0 1.0 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.857 70.6 49.1 -71.8 -37.0 40.3 16.2 -2.3 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.931 115.4 43.9 -69.9 -38.5 43.1 13.8 -1.2 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 114.9 49.8 -66.6 -44.8 41.1 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.904 106.8 55.8 -62.4 -40.3 37.9 12.4 -0.2 147 147 A K H X S+ 0 0 105 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.904 108.2 48.5 -55.8 -43.9 39.8 10.4 -2.9 148 148 A R H X S+ 0 0 66 -4,-1.7 4,-1.7 2,-0.2 12,-0.2 0.923 113.6 45.4 -62.2 -46.4 40.8 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 113.9 50.1 -61.8 -46.3 37.3 7.5 1.1 150 150 A I H X S+ 0 0 15 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.904 107.7 52.7 -62.2 -41.2 35.9 7.3 -2.4 151 151 A T H X S+ 0 0 43 -4,-2.6 4,-2.5 -5,-0.2 6,-0.4 0.878 107.1 53.8 -60.6 -36.0 38.4 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.934 112.4 43.5 -64.9 -46.8 37.2 2.6 -0.3 153 153 A F H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.6 48.7 -59.9 -42.6 33.6 2.9 -1.5 154 154 A R H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.919 126.8 22.0 -68.0 -39.9 34.5 2.1 -5.0 155 155 A T H < S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.649 85.1-133.8-104.4 -24.6 36.6 -1.0 -4.3 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.748 74.0 105.8 64.5 26.0 35.7 -2.4 -0.9 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.804 79.6-122.9-129.0 164.2 39.4 -2.6 -0.2 158 158 A W >> + 0 0 50 -2,-0.3 3,-2.3 1,-0.2 4,-1.9 0.117 69.3 123.2 -94.1 19.6 41.9 -0.7 1.9 159 159 A D T 34 S+ 0 0 120 1,-0.3 -1,-0.2 2,-0.2 -7,-0.0 0.807 70.3 55.1 -56.2 -34.6 44.2 0.1 -1.0 160 160 A A T 34 S+ 0 0 33 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.619 118.2 34.2 -79.7 -8.1 44.0 3.8 -0.5 161 161 A Y T X4 S+ 0 0 3 -3,-2.3 3,-2.2 -13,-0.1 -2,-0.2 0.536 83.4 120.1-115.4 -15.3 45.2 3.5 3.1 162 162 A K T 3< S+ 0 0 73 -4,-1.9 0, 0.0 1,-0.3 0, 0.0 -0.524 88.7 5.7 -77.6 149.0 47.6 0.6 3.1 163 163 A N T 3 0 0 92 -2,-0.1 -1,-0.3 1,-0.0 -4,-0.0 0.494 360.0 360.0 -24.6 73.5 50.8 1.7 4.2 164 164 A L < 0 0 87 -3,-2.2 -2,-0.1 0, 0.0 -1,-0.0 -0.184 360.0 360.0 -87.6 360.0 49.9 5.3 5.2