==== 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 1SWZ . 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) . 8704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 9 5.5 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 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.5 43.1 -1.6 8.6 2 2 A N > - 0 0 66 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.942 360.0 -83.9-158.9 177.6 40.0 -0.7 10.6 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.828 125.1 51.4 -60.4 -36.3 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 0.954 113.1 43.3 -67.7 -48.0 40.1 3.7 14.0 5 5 A E H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.883 114.2 53.1 -63.2 -36.7 43.4 3.4 12.0 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.948 112.8 41.9 -62.7 -51.6 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 0.848 109.3 58.9 -70.2 -28.8 40.4 8.0 10.8 8 8 A R H X S+ 0 0 105 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.909 108.9 45.7 -64.5 -40.6 43.7 8.3 12.6 9 9 A I H < S+ 0 0 48 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.930 117.8 43.2 -61.2 -46.3 45.4 8.6 9.2 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.795 126.1 30.1 -74.2 -29.8 42.8 11.1 7.9 11 11 A E H < S- 0 0 35 -4,-2.6 19,-0.5 -5,-0.1 -3,-0.2 0.645 90.6-150.8-106.7 -18.7 42.6 13.2 11.1 12 12 A G < - 0 0 23 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.1 -0.116 23.7 -88.7 71.5-175.4 46.1 13.1 12.7 13 13 A L + 0 0 44 16,-0.2 2,-0.4 -4,-0.1 16,-0.2 -0.970 44.8 167.5-138.4 120.2 46.7 13.4 16.5 14 14 A R E -A 28 0A 133 14,-2.0 14,-2.3 -2,-0.4 4,-0.1 -1.000 22.1-160.0-135.0 135.0 47.3 16.8 18.2 15 15 A L E S+ 0 0 69 -2,-0.4 43,-2.8 12,-0.2 2,-0.3 0.517 75.1 58.3 -97.1 -5.1 47.2 17.3 21.9 16 16 A K E S-C 57 0B 49 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.943 100.9 -85.2-122.4 151.5 46.6 21.1 21.9 17 17 A I E + 0 0 31 39,-2.2 2,-0.3 -2,-0.3 10,-0.2 -0.184 57.8 164.1 -52.6 134.3 43.7 23.0 20.4 18 18 A Y E -A 26 0A 30 8,-2.6 8,-2.9 6,-0.1 2,-0.5 -0.909 40.0 -96.0-142.2 171.4 44.3 23.7 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.843 35.1-140.8 -97.6 130.2 42.2 24.8 13.7 20 20 A D > - 0 0 43 4,-2.6 3,-2.1 -2,-0.5 -1,-0.1 0.055 43.0 -79.7 -72.1-171.0 41.0 22.1 11.4 21 21 A T T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.705 133.9 52.5 -77.6 -11.1 40.9 22.5 7.7 22 22 A E T 3 S- 0 0 85 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.330 123.0-105.4 -91.9 2.1 37.7 24.6 7.9 23 23 A G S < S+ 0 0 39 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.595 75.7 138.9 83.8 15.1 39.3 26.9 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.773 61.7-100.9-101.6 140.9 37.5 25.4 13.4 25 25 A Y E +A 19 0A 36 11,-0.4 8,-2.7 9,-0.4 9,-1.3 -0.343 54.4 159.8 -64.3 130.9 38.9 24.7 16.8 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.6 6,-0.3 2,-0.3 -0.873 18.5-170.0-144.2 160.3 39.6 21.0 17.2 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.3 -2,-0.3 2,-0.2 -0.976 51.9 8.1-150.0 167.8 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 -0.476 122.3 -11.2 71.3-132.3 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 -0.815 128.8 -48.0-107.0 79.6 42.0 12.9 16.6 30 30 A G T 4 S+ 0 0 12 -2,-0.8 2,-1.1 -19,-0.5 -2,-0.2 0.777 83.8 160.8 63.8 31.5 39.6 15.2 14.7 31 31 A H E < -B 27 0A 31 -4,-2.3 -4,-1.9 -20,-0.1 2,-0.2 -0.710 31.0-147.5 -88.0 102.1 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 -0.491 16.3-175.5 -63.6 127.3 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 58.0 -34.1 -94.3 -39.7 35.1 21.5 19.7 34 34 A T - 0 0 32 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.949 35.5-129.0-172.5 158.7 33.1 24.4 18.3 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.417 74.1 116.9 -94.8 -4.4 32.5 26.5 15.2 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.356 68.4-137.1 -63.5 142.8 32.8 29.6 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.504 77.6 101.7 -75.1 0.6 35.7 31.9 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.711 57.9-161.4 -93.1 116.3 36.3 32.3 20.2 39 39 A L H > S+ 0 0 67 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.898 95.2 58.0 -58.4 -39.3 39.2 30.3 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 104.3 51.1 -56.3 -40.6 37.7 30.8 25.0 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 111.4 48.2 -62.2 -40.4 34.5 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.903 109.7 52.0 -65.9 -41.5 36.5 26.2 22.4 43 43 A K H X S+ 0 0 46 -4,-2.8 4,-2.3 2,-0.2 11,-0.2 0.880 109.4 50.2 -63.3 -38.2 38.5 25.9 25.7 44 44 A S H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.935 109.6 50.1 -65.0 -42.9 35.2 25.7 27.6 45 45 A E H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.921 110.8 51.4 -57.8 -43.0 33.9 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.932 108.3 48.9 -59.4 -49.4 37.2 21.1 25.9 47 47 A D H X>S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 5,-1.0 0.901 113.0 49.2 -63.4 -38.5 37.0 21.2 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 110.2 50.6 -61.6 -42.1 33.4 20.1 29.5 49 49 A A H <5S+ 0 0 40 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.845 121.3 32.6 -65.9 -39.5 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 0.711 102.2-124.4 -94.4 -24.2 37.2 16.0 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.772 77.0 73.9 81.9 27.8 35.9 16.8 32.8 52 52 A R S - 0 0 12 -2,-0.9 3,-1.5 -11,-0.2 -1,-0.2 0.674 31.8-152.0 -96.2 -19.6 42.6 21.5 30.5 55 55 A N T 3 S- 0 0 102 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.866 76.4 -45.4 19.8 59.9 43.3 25.1 29.3 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.2 1,-0.2 2,-0.4 0.461 120.5 94.7 96.6 2.3 43.7 23.9 25.8 57 57 A V B < +C 16 0B 78 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.990 43.1 175.8-134.6 132.7 45.9 20.8 26.3 58 58 A I - 0 0 4 -43,-2.8 2,-0.2 -2,-0.4 -30,-0.1 -0.840 28.8-108.5-127.4 169.5 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 -0.497 33.2-109.0 -88.8 163.9 46.9 13.8 27.0 60 60 A K H > S+ 0 0 115 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.914 120.8 54.2 -59.5 -41.7 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 0.932 110.0 48.2 -59.2 -41.3 44.8 8.8 26.5 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.906 109.7 51.2 -64.8 -44.4 42.3 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 0.908 111.9 47.4 -58.0 -43.9 42.5 12.2 22.9 64 64 A E H X S+ 0 0 87 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.854 108.0 56.7 -66.7 -34.1 41.9 8.4 22.3 65 65 A K H X S+ 0 0 137 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.936 110.0 43.4 -61.4 -48.3 39.0 8.5 24.8 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.888 111.8 56.4 -62.2 -40.1 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 45.2 -62.6 -46.1 38.0 9.5 19.5 68 68 A N H X S+ 0 0 91 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.911 113.3 51.8 -67.2 -37.0 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 5,-0.2 0.948 111.6 47.0 -57.1 -47.0 33.4 8.2 21.8 70 70 A D H X S+ 0 0 40 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.886 114.1 45.9 -65.4 -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 0.942 114.0 48.6 -63.7 -47.8 33.5 6.8 16.4 72 72 A A H X S+ 0 0 53 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.911 113.0 48.2 -57.1 -45.2 30.9 4.9 18.6 73 73 A A H X S+ 0 0 61 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.836 108.5 54.2 -68.4 -32.1 28.5 7.9 18.3 74 74 A A H X S+ 0 0 12 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.951 112.0 43.8 -64.8 -45.8 29.0 8.1 14.5 75 75 A V H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.947 115.4 48.2 -62.2 -48.0 28.0 4.5 14.1 76 76 A R H X S+ 0 0 114 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.902 112.3 49.6 -63.2 -40.6 25.1 4.7 16.6 77 77 A G H >< S+ 0 0 12 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.910 107.2 53.9 -65.6 -41.8 23.9 7.9 14.8 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 7,-0.3 0.929 107.8 51.3 -54.8 -45.3 24.0 6.3 11.4 79 79 A L H 3< S+ 0 0 46 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.625 110.9 47.9 -72.6 -13.4 21.9 3.5 12.7 80 80 A R T << S+ 0 0 178 -3,-1.0 2,-0.6 -4,-0.5 -1,-0.3 0.340 93.3 93.7-100.5 0.4 19.3 5.9 14.1 81 81 A N <> - 0 0 25 -3,-1.5 4,-2.9 -4,-0.5 -4,-0.0 -0.845 66.9-148.7-103.6 122.5 19.2 7.9 10.8 82 82 A A T 4 S+ 0 0 83 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.768 96.6 43.7 -63.0 -26.8 16.5 6.9 8.4 83 83 A K T > S+ 0 0 131 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.866 121.8 36.4 -80.7 -41.9 18.5 7.9 5.3 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.1 5,-0.2 0.831 101.4 70.9 -87.2 -32.3 21.8 6.4 6.4 85 85 A K H X S+ 0 0 99 -4,-2.9 4,-2.7 -7,-0.3 5,-0.2 0.917 99.5 46.4 -55.4 -50.5 20.8 3.2 8.2 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.905 114.6 48.2 -62.8 -37.2 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,-0.2 0.965 112.3 48.8 -66.2 -48.7 22.7 2.2 3.2 88 88 A Y H >< S+ 0 0 34 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.929 112.5 48.0 -52.9 -51.1 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 0.832 109.2 54.3 -66.0 -28.2 23.3 -2.1 6.6 90 90 A S H 3< S+ 0 0 30 -4,-1.8 -1,-0.2 -5,-0.2 2,-0.2 0.710 97.3 83.7 -74.6 -20.8 23.5 -2.8 2.9 91 91 A L S << S- 0 0 8 -4,-1.2 31,-0.0 -3,-0.9 30,-0.0 -0.591 82.0-113.6 -90.4 145.7 27.3 -2.3 2.8 92 92 A D > - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.205 43.1 -96.5 -61.9 162.7 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 0.769 122.2 51.9 -61.8 -31.0 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 0.959 112.4 44.5 -69.0 -50.2 35.0 -2.2 4.6 95 95 A R H 3> S+ 0 0 27 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.852 105.3 63.1 -64.8 -31.7 32.6 0.1 2.8 96 96 A E H 3X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.867 97.2 58.6 -55.7 -38.9 30.8 0.8 6.0 97 97 A C H S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 126.5 51.6 -62.4 -46.4 25.1 12.9 9.8 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.898 109.5 50.7 -61.0 -43.4 22.9 15.6 8.3 110 110 A G H >4 S+ 0 0 33 -4,-0.4 3,-0.6 1,-0.2 4,-0.2 0.938 113.8 43.0 -61.0 -47.4 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 0.912 107.8 59.8 -64.3 -41.5 26.1 12.9 4.7 112 112 A A H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.763 95.7 65.2 -60.9 -20.4 22.4 12.2 4.6 113 113 A G T << S+ 0 0 53 -4,-1.1 2,-2.0 -3,-0.6 3,-0.3 0.597 74.1 90.4 -77.9 -8.9 22.1 15.0 2.0 114 114 A F <> + 0 0 45 -3,-2.2 4,-2.9 -4,-0.2 5,-0.3 -0.335 53.8 158.4 -79.7 57.7 24.1 13.0 -0.5 115 115 A T H > + 0 0 90 -2,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.871 66.1 44.0 -57.6 -45.5 20.9 11.5 -1.8 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.927 115.2 47.4 -70.9 -41.4 22.0 10.4 -5.2 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.895 110.2 53.5 -62.9 -42.6 25.3 9.0 -4.0 118 118 A L H X S+ 0 0 13 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.887 108.5 50.2 -59.7 -41.8 23.6 7.1 -1.2 119 119 A R H X S+ 0 0 112 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.926 110.2 49.3 -61.7 -46.8 21.2 5.5 -3.8 120 120 A M H <>S+ 0 0 25 -4,-2.1 5,-2.6 1,-0.2 4,-0.3 0.888 111.6 49.7 -61.2 -40.3 24.1 4.5 -6.0 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.922 109.5 50.4 -62.8 -44.4 25.8 2.9 -3.1 122 122 A Q H 3<5S+ 0 0 85 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 111.3 50.1 -60.5 -34.2 22.7 1.0 -2.0 123 123 A Q T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.467 111.8-123.5 -79.7 -8.6 22.4 -0.2 -5.6 124 124 A K T < 5 + 0 0 101 -3,-1.4 2,-1.2 -4,-0.3 -3,-0.2 0.816 62.2 146.0 66.5 33.8 26.1 -1.3 -5.6 125 125 A R >< + 0 0 126 -5,-2.6 4,-2.8 1,-0.2 -1,-0.2 -0.722 21.8 172.7 -96.2 77.0 26.9 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 68.0 44.8 -67.5 -44.1 30.3 1.5 -7.2 127 127 A D H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 115.7 49.1 -69.2 -39.6 32.0 3.4 -10.1 128 128 A E H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 111.2 49.8 -61.9 -44.9 28.9 5.5 -10.6 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.914 108.9 52.4 -59.8 -44.2 28.7 6.3 -6.9 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.891 109.2 49.3 -60.9 -42.3 32.4 7.2 -6.9 131 131 A V H < S+ 0 0 85 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.922 114.5 45.9 -59.4 -45.0 31.9 9.7 -9.8 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.900 105.3 58.5 -70.4 -37.2 28.9 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 0.814 100.4 58.5 -61.1 -33.5 30.6 11.6 -4.6 134 134 A A T 3< S+ 0 0 28 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.3 0.633 83.4 83.3 -73.1 -16.2 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 -0.548 80.7 97.6 -86.4 70.4 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 86.0-116.7-155.8 150.8 30.9 18.0 -3.9 137 137 A R H > S+ 0 0 153 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.911 115.9 62.6 -54.7 -42.1 32.2 20.8 -1.8 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.933 106.3 40.7 -47.4 -55.7 33.6 17.9 0.3 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.926 114.9 51.9 -65.2 -44.8 35.8 16.6 -2.4 140 140 A N H < S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.6 41.5 -60.0 -40.4 36.9 20.1 -3.6 141 141 A Q H < S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 133.6 19.7 -80.4 -31.8 37.9 21.2 -0.1 142 142 A T S X S+ 0 0 22 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.3 -0.613 75.5 160.1-131.9 71.2 39.6 18.0 1.0 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.856 70.4 49.2 -69.8 -38.1 40.4 16.2 -2.3 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.936 115.6 43.6 -71.5 -38.0 43.1 13.8 -1.2 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 114.7 49.9 -68.2 -43.4 41.1 12.6 1.8 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.905 106.7 56.0 -60.8 -40.0 37.9 12.4 -0.2 147 147 A K H X S+ 0 0 106 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.896 108.0 48.6 -56.4 -43.4 39.8 10.4 -2.9 148 148 A R H X S+ 0 0 55 -4,-1.6 4,-1.8 2,-0.2 12,-0.2 0.923 113.5 45.4 -62.3 -47.1 40.8 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 113.8 50.2 -61.4 -45.7 37.3 7.5 1.1 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.907 107.7 52.5 -62.6 -41.0 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 0.884 107.2 53.7 -60.4 -37.0 38.4 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.936 112.4 43.5 -64.0 -46.3 37.3 2.6 -0.3 153 153 A F H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.8 48.7 -61.0 -41.6 33.6 2.9 -1.4 154 154 A R H < S+ 0 0 105 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.914 126.5 22.6 -68.6 -39.9 34.5 2.1 -5.0 155 155 A T H < S- 0 0 37 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.648 85.1-134.1-103.7 -24.6 36.7 -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 0.758 74.4 105.7 65.3 24.2 35.7 -2.4 -0.9 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.803 79.8-122.9-125.4 168.8 39.4 -2.6 -0.2 158 158 A W >> + 0 0 49 -2,-0.3 3,-2.2 1,-0.2 4,-1.6 0.100 69.2 123.6 -94.4 20.3 41.9 -0.7 1.9 159 159 A D T 34 S+ 0 0 118 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.805 70.0 54.9 -57.9 -31.5 44.1 0.1 -1.0 160 160 A A T 34 S+ 0 0 24 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.629 115.9 37.9 -78.4 -8.5 44.0 3.8 -0.5 161 161 A Y T X4 S+ 0 0 0 -3,-2.2 3,-2.3 -13,-0.1 2,-0.4 0.554 83.1 124.3-113.6 -15.9 45.2 3.5 3.2 162 162 A K T 3< S- 0 0 68 -4,-1.6 0, 0.0 1,-0.3 0, 0.0 -0.718 89.8 -3.4 -84.2 136.0 47.7 0.7 2.9 163 163 A N T 3 0 0 158 -2,-0.4 -1,-0.3 0, 0.0 -2,-0.1 0.436 360.0 360.0 -86.4 110.9 50.4 1.9 4.1 164 164 A L < 0 0 108 -3,-2.3 -2,-0.1 0, 0.0 -4,-0.0 -0.163 360.0 360.0 -83.4 360.0 49.8 5.4 5.0