==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-99 1QTZ . COMPND 2 MOLECULE: PROTEIN (T4 LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.KUROKI,L.H.WEAVER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8801.0 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 . 12 7.3 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.7 43.7 -1.7 9.2 2 2 A N > - 0 0 70 156,-0.0 4,-3.0 95,-0.0 5,-0.2 -0.931 360.0 -81.5-156.6 175.8 40.4 -0.7 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.842 124.4 53.0 -55.4 -41.3 38.3 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.949 114.5 41.1 -62.1 -49.5 40.4 3.7 14.2 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.882 114.2 54.9 -66.8 -36.0 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 3,-0.4 0.961 112.7 39.3 -61.5 -53.1 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.4 4,-3.2 1,-0.2 5,-0.4 0.830 109.7 60.8 -67.5 -27.5 40.7 7.9 10.8 8 8 A R H X S+ 0 0 104 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.882 106.6 47.6 -66.6 -32.1 43.8 8.4 12.9 9 9 A I H < S+ 0 0 55 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.907 116.6 43.3 -67.3 -49.0 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.876 124.5 32.3 -67.2 -39.8 43.2 11.1 8.1 11 11 A E H < S- 0 0 47 -4,-3.2 19,-0.3 1,-0.2 -3,-0.2 0.712 91.4-152.5 -93.1 -25.6 42.8 13.3 11.2 12 12 A G < - 0 0 26 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.2 -0.216 26.3 -85.9 77.3-174.4 46.3 13.1 12.7 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 43.4 174.7-136.4 116.5 46.9 13.6 16.6 14 14 A R E -A 28 0A 138 14,-2.0 14,-2.3 -2,-0.4 4,-0.1 -0.996 18.9-162.8-126.8 127.9 47.3 17.1 18.2 15 15 A L E S+ 0 0 56 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.544 74.5 57.7 -83.7 -13.7 47.5 17.7 22.0 16 16 A K E S-C 57 0B 121 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.837 101.6 -82.3-116.4 159.5 46.7 21.4 21.9 17 17 A I E + 0 0 30 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.215 58.3 171.9 -55.4 137.9 43.9 23.3 20.6 18 18 A Y E -A 26 0A 24 8,-2.8 8,-3.1 -4,-0.1 2,-0.5 -0.899 36.0-107.8-142.7 174.6 44.2 23.8 16.8 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.3 5,-0.0 -0.914 33.4-141.0-106.5 128.9 42.2 25.1 13.9 20 20 A C > - 0 0 39 4,-2.8 3,-2.0 -2,-0.5 -1,-0.0 -0.106 44.1 -78.3 -76.7-174.5 41.0 22.3 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.708 134.5 53.6 -58.4 -24.3 41.0 22.9 7.6 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.311 122.2-105.7 -91.3 1.5 37.7 25.0 7.9 23 23 A G S < S+ 0 0 33 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.464 76.0 138.2 82.7 11.5 39.4 27.3 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.8 -5,-0.0 2,-0.3 -0.628 61.8-101.9 -90.4 150.2 37.4 25.8 13.5 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-2.7 11,-0.4 9,-1.4 -0.471 54.1 158.3 -67.0 125.7 38.9 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.8 -2,-0.3 2,-0.3 -0.868 17.4-171.2-140.5 168.3 39.6 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.2 -2,-0.3 2,-0.3 -0.973 50.0 9.9-156.9 164.6 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-2.0 -2,-0.3 2,-0.9 -0.494 122.5 -5.7 75.9-136.7 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.3 3,-0.1 -0.695 128.5 -53.3 -99.2 72.3 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.821 86.3 162.3 63.5 34.4 39.8 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-2.2 -4,-1.6 -20,-0.1 2,-0.2 -0.652 32.3-141.4 -92.2 107.0 37.5 16.4 17.7 32 32 A L E -B 26 0A 77 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.416 20.7-178.1 -65.0 128.5 35.7 19.5 16.9 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.911 61.0 -25.5 -90.0 -56.2 35.3 21.9 19.9 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.3 -0.997 33.8-138.5-158.7 155.6 33.3 24.8 18.5 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.429 75.8 115.3 -92.8 -2.5 32.6 26.6 15.3 36 36 A S S S- 0 0 41 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.405 71.3-135.5 -73.5 144.4 32.9 29.7 17.3 37 37 A P S S+ 0 0 115 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.588 76.4 102.1 -73.4 -13.4 35.6 32.2 16.7 38 38 A S > - 0 0 50 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.657 57.0-160.6 -84.6 121.3 36.3 32.5 20.4 39 39 A L H > S+ 0 0 62 -2,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.797 98.4 54.0 -63.3 -28.4 39.3 30.6 21.8 40 40 A N H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 102.9 53.8 -73.6 -40.7 37.7 31.0 25.2 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.898 110.9 48.8 -58.1 -37.1 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.882 109.1 51.1 -67.0 -41.6 36.8 26.5 22.7 43 43 A K H X S+ 0 0 62 -4,-2.2 4,-2.0 1,-0.2 11,-0.3 0.823 109.8 51.0 -66.5 -32.7 38.6 26.2 26.1 44 44 A S H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.930 110.7 46.2 -69.0 -48.7 35.3 26.1 27.8 45 45 A E H X S+ 0 0 71 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.895 112.3 54.5 -63.7 -37.2 34.0 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.955 108.6 44.4 -62.6 -48.6 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 37 -4,-2.0 4,-3.4 1,-0.2 5,-1.3 0.930 114.2 52.2 -59.1 -41.3 37.2 21.5 29.9 48 48 A K H <5S+ 0 0 138 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.882 111.6 45.3 -63.4 -39.2 33.6 20.5 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.877 122.6 36.4 -71.4 -36.4 34.3 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.704 104.1-128.3 -87.0 -34.3 37.4 16.4 29.4 51 51 A G T <5S+ 0 0 66 -4,-3.4 2,-0.3 -5,-0.3 -3,-0.2 0.773 74.1 71.5 88.6 25.7 36.0 17.2 32.8 52 52 A R S - 0 0 8 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.788 32.5-145.3 -88.2 -33.6 42.8 21.8 30.8 55 55 A N T 3 S- 0 0 118 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.855 70.9 -60.0 68.1 31.5 44.0 25.1 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.547 117.3 97.6 74.1 6.6 43.9 23.9 26.1 57 57 A V B < +C 16 0B 57 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.977 47.1 176.9-124.5 140.6 46.3 21.0 26.4 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.886 26.5-106.3-132.6 172.7 45.3 17.4 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.514 30.4-107.9 -94.7 171.0 47.0 14.1 27.2 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.940 120.4 51.1 -59.5 -50.5 47.2 11.2 24.7 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.848 109.8 49.5 -54.2 -43.0 44.9 9.1 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 110.6 51.2 -69.2 -39.0 42.3 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -34,-0.4 0.918 110.7 47.8 -65.6 -38.5 42.5 12.4 23.2 64 64 A E H X S+ 0 0 82 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.767 108.8 54.9 -71.5 -27.5 42.0 8.7 22.6 65 65 A K H X S+ 0 0 137 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.926 109.8 44.9 -73.7 -41.8 39.0 8.7 25.0 66 66 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.919 112.3 55.2 -63.8 -37.8 37.3 11.5 23.0 67 67 A F H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.943 107.1 47.8 -59.4 -48.3 38.3 9.6 19.8 68 68 A N H X S+ 0 0 87 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.901 112.8 49.5 -61.0 -37.3 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 96 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.930 111.2 50.0 -66.6 -41.6 33.5 8.4 22.0 70 70 A D H X S+ 0 0 34 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.868 110.8 47.3 -61.7 -43.3 33.5 10.1 18.5 71 71 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.939 112.8 50.2 -64.6 -46.1 33.7 6.9 16.6 72 72 A D H X S+ 0 0 99 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.957 109.7 50.3 -55.9 -52.1 31.0 5.4 18.6 73 73 A A H X S+ 0 0 59 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.895 108.2 53.7 -51.9 -45.5 28.8 8.4 18.1 74 74 A A H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.959 108.9 48.0 -58.4 -52.1 29.3 8.2 14.3 75 75 A V H X S+ 0 0 34 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.904 113.2 48.1 -57.1 -40.2 28.3 4.6 14.1 76 76 A R H X S+ 0 0 125 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.859 108.9 53.2 -72.3 -31.1 25.2 5.3 16.2 77 77 A G H X S+ 0 0 13 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.903 109.8 48.2 -66.1 -40.3 24.3 8.3 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 7,-0.5 0.978 111.5 51.1 -60.7 -51.3 24.5 6.2 11.0 79 79 A L H 3< S+ 0 0 64 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.780 111.5 47.2 -57.6 -28.3 22.3 3.5 12.6 80 80 A R H 3< S+ 0 0 188 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.3 0.557 91.7 96.0 -91.7 -10.5 19.7 6.0 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.3 0.819 102.7 68.1 -82.0 -41.1 22.2 6.1 6.1 85 85 A K H X S+ 0 0 84 -4,-2.5 4,-2.9 -7,-0.5 5,-0.2 0.933 98.3 47.6 -47.4 -54.8 21.2 2.9 7.7 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.860 113.3 50.6 -62.3 -29.8 20.0 1.0 4.8 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-1.0 -3,-0.3 3,-0.5 0.951 111.3 47.6 -71.3 -45.2 23.1 1.9 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.923 109.3 53.4 -55.5 -46.8 25.4 0.9 5.7 89 89 A D H 3< S+ 0 0 74 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.794 106.3 52.8 -65.3 -28.5 23.6 -2.3 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.662 95.8 90.5 -83.2 -9.9 24.1 -3.2 2.5 91 91 A L S << S- 0 0 5 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.470 75.0-118.8 -87.7 160.3 27.8 -2.6 2.5 92 92 A D > - 0 0 58 -2,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.253 44.2 -90.6 -81.7 172.9 30.8 -5.0 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.838 122.7 48.6 -56.9 -41.2 33.2 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.5 1,-0.2 3,-0.3 0.936 113.7 46.7 -66.0 -46.9 35.7 -2.1 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.844 104.7 59.0 -69.6 -32.2 33.1 0.1 2.7 96 96 A R H X S+ 0 0 77 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.900 103.2 55.2 -58.8 -40.1 31.2 0.6 6.0 97 97 A A H X S+ 0 0 6 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.889 104.6 53.1 -61.7 -40.5 34.5 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.862 108.7 49.6 -64.1 -33.2 34.5 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.919 109.7 50.1 -69.9 -40.7 31.0 5.6 5.3 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-3.8 2,-0.2 5,-0.3 0.964 106.9 57.7 -62.4 -42.0 31.8 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 5,-0.2 0.945 109.3 43.3 -52.4 -50.7 34.9 8.2 7.9 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -1,-0.3 0.881 113.7 50.4 -65.7 -39.4 32.7 10.6 6.0 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.943 110.3 51.3 -63.3 -39.5 30.1 10.8 8.9 104 104 A F H < S+ 0 0 31 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.929 115.3 43.0 -61.4 -38.4 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.847 132.2 13.4 -77.8 -38.4 34.2 14.3 9.1 106 106 A M H X S- 0 0 57 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.518 102.9-103.8-127.3 8.7 31.1 15.9 8.2 107 107 A G H X - 0 0 31 -4,-3.1 4,-2.4 -5,-0.3 5,-0.1 0.160 33.6 -88.7 86.5 151.0 28.2 14.8 10.2 108 108 A E H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.818 127.7 54.7 -68.8 -31.0 25.3 12.5 9.5 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.964 107.3 47.9 -64.3 -54.2 23.4 15.4 8.2 110 110 A G H >< S+ 0 0 35 -4,-0.7 3,-0.5 1,-0.2 -2,-0.2 0.890 117.4 44.3 -53.7 -47.4 26.1 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.849 103.1 60.5 -68.0 -42.1 26.4 12.8 4.6 112 112 A A H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.714 95.8 69.5 -61.2 -16.7 22.7 12.0 4.3 113 113 A G T << S+ 0 0 57 -4,-0.9 2,-1.3 -3,-0.5 -1,-0.3 0.535 72.7 85.7 -75.5 -9.5 22.7 14.9 1.7 114 114 A F <> + 0 0 39 -3,-2.0 4,-2.4 1,-0.2 5,-0.3 -0.465 57.3 161.5 -89.2 58.4 24.7 12.8 -0.9 115 115 A T H > + 0 0 87 -2,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.847 65.7 42.4 -51.9 -46.5 21.5 11.3 -2.1 116 116 A N H > S+ 0 0 87 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 113.3 50.7 -74.7 -36.4 22.6 10.1 -5.4 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 109.8 52.9 -65.9 -35.9 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.901 107.9 50.2 -58.1 -51.1 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.935 111.9 49.0 -53.8 -44.1 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 28 -4,-1.9 5,-2.6 2,-0.2 4,-0.3 0.873 110.3 47.8 -67.3 -43.1 24.6 4.3 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.912 110.4 54.8 -65.6 -38.8 26.7 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.896 108.4 47.1 -59.5 -35.1 23.5 1.0 -2.4 123 123 A Q T 3<5S- 0 0 98 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.483 115.2-119.4 -85.1 2.1 23.2 -0.5 -5.9 124 124 A K T < 5 + 0 0 102 -3,-1.7 2,-1.4 -4,-0.3 -3,-0.2 0.704 62.6 148.8 64.2 34.4 26.8 -1.4 -5.8 125 125 A R >< + 0 0 110 -5,-2.6 4,-2.2 1,-0.2 5,-0.2 -0.684 20.4 174.9 -94.6 76.5 27.7 0.8 -8.8 126 126 A W H > + 0 0 49 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.891 69.3 43.4 -52.5 -54.8 31.2 1.5 -7.5 127 127 A D H > S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 114.5 50.2 -65.1 -41.7 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 111.1 49.4 -64.6 -38.5 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.915 106.1 55.9 -64.7 -40.7 29.5 6.4 -7.2 130 130 A A H X S+ 0 0 9 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.897 109.4 46.7 -59.1 -38.6 33.1 7.3 -7.0 131 131 A V H X S+ 0 0 92 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.906 113.7 47.4 -70.5 -42.0 32.6 9.8 -9.8 132 132 A N H >< S+ 0 0 38 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.865 108.1 57.1 -66.7 -38.2 29.5 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.6 6,-0.4 1,-0.2 -1,-0.2 0.872 102.1 56.2 -61.0 -32.2 31.3 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.1 2,-1.9 -5,-0.3 -1,-0.2 0.693 86.4 81.0 -77.2 -12.5 34.0 13.7 -6.4 135 135 A K S << S+ 0 0 160 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 -0.467 80.2 93.2 -88.1 72.4 31.6 16.2 -7.6 136 136 A S S > S- 0 0 19 -2,-1.9 4,-1.8 1,-0.1 5,-0.2 -0.999 85.3-114.0-157.8 160.2 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.876 114.3 64.0 -63.9 -33.6 32.8 20.7 -2.3 138 138 A W H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 8,-0.3 0.949 105.4 43.9 -51.0 -51.2 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.0 48.2 -65.7 -38.1 36.4 16.7 -2.6 140 140 A N H < S+ 0 0 111 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 115.6 44.6 -70.1 -37.0 37.5 20.1 -3.8 141 141 A Q H < S+ 0 0 107 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.865 131.8 17.3 -75.7 -43.7 38.3 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 -0.614 72.7 162.8-132.4 77.0 40.1 18.2 1.0 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.850 70.3 53.5 -63.2 -39.4 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.947 116.4 38.7 -66.8 -44.8 43.7 14.0 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.937 114.8 52.2 -68.7 -49.0 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -8,-0.3 5,-0.3 0.926 108.5 54.7 -51.8 -43.7 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 91 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.906 105.8 49.4 -59.9 -41.7 40.4 10.5 -2.7 148 148 A R H X S+ 0 0 54 -4,-1.4 4,-1.4 -3,-0.2 12,-0.2 0.932 115.2 44.5 -63.2 -40.8 41.5 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 112.9 50.0 -65.1 -46.9 37.9 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.884 109.9 52.1 -62.3 -39.2 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.3 6,-0.4 0.842 105.9 56.0 -64.3 -34.7 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.906 110.4 42.6 -64.3 -42.7 38.0 2.8 -0.5 153 153 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.938 114.9 51.5 -72.5 -40.6 34.4 2.7 -1.8 154 154 A R H < S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 125.1 23.5 -58.4 -44.8 35.5 2.0 -5.3 155 155 A T H < S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.599 84.7-137.3 -95.1 -28.3 37.7 -0.9 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.7 2,-0.3 1,-0.2 -62,-0.2 0.706 73.0 100.0 70.6 18.9 36.5 -2.3 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.853 80.7-119.5-131.1 172.5 40.2 -2.7 -0.1 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.4 1,-0.2 4,-1.0 0.155 71.6 121.7 -95.0 15.7 42.5 -0.6 2.1 159 159 A D G >4 + 0 0 86 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.825 67.3 60.1 -45.4 -37.2 45.0 0.0 -0.6 160 160 A A G 34 S+ 0 0 24 -3,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.623 110.3 43.3 -66.6 -19.0 44.7 3.8 -0.3 161 161 A Y G <4 S+ 0 0 2 -3,-2.4 3,-0.4 -13,-0.1 2,-0.4 0.580 87.2 96.5-106.3 -13.5 45.9 3.5 3.2 162 162 A K S << S+ 0 0 105 -4,-1.0 0, 0.0 -3,-0.8 0, 0.0 -0.732 86.9 33.1 -84.6 133.0 48.7 1.1 3.0 163 163 A N 0 0 168 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.439 360.0 360.0 121.1 -48.8 52.0 3.1 2.7 164 164 A L 0 0 130 -3,-0.4 -2,-0.1 -4,-0.1 -3,-0.1 0.697 360.0 360.0 -57.6 360.0 50.8 6.0 5.0