==== 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 30-JUN-99 1QT6 . 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) . 8805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 . 12 7.3 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 158.0 43.7 -1.8 9.0 2 2 A N > - 0 0 66 156,-0.0 4,-3.2 95,-0.0 5,-0.2 -0.925 360.0 -82.3-156.9 176.0 40.5 -0.6 10.7 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.839 123.9 50.7 -55.2 -44.0 38.4 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.954 114.8 42.7 -63.1 -49.7 40.5 3.7 14.2 5 5 A E H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.916 114.2 53.9 -61.9 -43.3 43.7 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 3,-0.2 0.933 112.5 40.0 -55.4 -54.4 42.1 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.806 109.0 60.9 -70.4 -25.4 40.8 7.9 10.9 8 8 A R H X S+ 0 0 103 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.888 107.5 47.0 -66.6 -32.3 44.0 8.4 12.8 9 9 A I H < S+ 0 0 46 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.913 113.8 47.3 -70.8 -44.9 45.8 8.6 9.5 10 10 A D H < S+ 0 0 22 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.806 126.5 25.2 -65.9 -33.7 43.2 11.1 8.1 11 11 A H H < S- 0 0 42 -4,-2.3 19,-0.4 1,-0.1 -2,-0.2 0.622 90.1-150.0-108.3 -20.4 43.2 13.4 11.2 12 12 A G < - 0 0 23 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.1 -0.140 29.4 -81.3 73.1-178.0 46.5 13.0 12.9 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.991 44.7 177.7-130.3 120.0 46.9 13.5 16.6 14 14 A R E -A 28 0A 138 14,-1.9 14,-2.7 -2,-0.4 4,-0.1 -0.998 17.0-166.7-127.9 125.4 47.2 17.0 18.2 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.502 74.0 54.8 -85.8 -11.5 47.5 17.6 22.0 16 16 A K E S-C 57 0B 131 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.908 100.9 -85.7-121.7 152.9 46.9 21.4 21.9 17 17 A I E + 0 0 29 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.189 56.6 168.9 -54.8 142.2 44.0 23.2 20.5 18 18 A Y E -A 26 0A 28 8,-2.4 8,-3.1 -4,-0.1 2,-0.5 -0.930 36.1-104.6-150.2 167.4 44.4 23.9 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.870 32.7-141.9-101.2 132.2 42.4 25.1 13.9 20 20 A D > - 0 0 51 4,-3.1 3,-1.6 -2,-0.5 -1,-0.1 -0.018 43.3 -77.2 -76.9-170.3 41.3 22.6 11.3 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.697 133.4 51.4 -63.9 -21.3 41.2 23.2 7.6 22 22 A E T 3 S- 0 0 69 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.381 122.8-103.9 -93.3 -1.2 37.9 25.2 8.0 23 23 A G S < S+ 0 0 35 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.554 76.0 139.7 87.4 18.4 39.4 27.4 10.7 24 24 A Y - 0 0 74 1,-0.1 -4,-3.1 9,-0.0 2,-0.3 -0.756 59.2-103.5-100.3 145.3 37.6 25.7 13.6 25 25 A Y E +AB 19 34A 33 9,-0.8 8,-3.5 11,-0.4 9,-1.5 -0.423 52.3 158.0 -67.4 123.0 39.0 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.4 -2,-0.3 2,-0.3 -0.840 17.2-174.2-138.5 168.8 39.8 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.2 4,-2.0 -2,-0.3 2,-0.2 -0.976 51.8 11.4-160.8 165.5 41.9 18.9 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.9 -2,-0.3 2,-0.8 -0.456 121.9 -11.4 69.0-132.7 43.0 15.3 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.774 128.2 -47.5-105.5 78.8 42.0 13.1 16.6 30 30 A G T 4 S+ 0 0 17 -2,-0.8 2,-1.2 -19,-0.4 -2,-0.2 0.774 85.6 160.4 67.1 26.5 39.7 15.3 14.7 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.2 1,-0.0 -1,-0.2 -0.642 30.9-147.3 -87.2 101.2 37.6 16.3 17.8 32 32 A L E -B 26 0A 73 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.363 18.2-178.8 -62.0 128.0 35.8 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.5 2,-0.3 1,-0.4 -7,-0.2 0.882 59.0 -22.2 -94.9 -44.2 35.4 21.7 19.8 34 34 A T E -B 25 0A 28 -9,-1.5 -9,-0.8 2,-0.1 -1,-0.4 -0.982 34.6-139.7-164.8 153.0 33.4 24.6 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.521 76.2 106.2 -90.6 -9.9 32.6 26.4 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.385 74.9-130.4 -76.1 148.9 32.9 29.7 17.2 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.476 74.8 106.1 -77.3 -0.6 35.8 32.0 16.7 38 38 A S > - 0 0 53 1,-0.2 4,-2.3 -13,-0.0 5,-0.2 -0.706 55.2-160.1 -90.1 119.4 36.5 32.3 20.4 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.854 97.8 55.1 -62.3 -29.4 39.5 30.6 21.8 40 40 A N H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.949 103.7 50.8 -70.0 -42.9 37.8 30.9 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 112.4 49.9 -56.0 -40.1 34.7 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 109.8 49.8 -65.0 -42.6 37.0 26.5 22.7 43 43 A K H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 11,-0.3 0.884 110.5 50.0 -64.8 -38.0 38.7 26.3 26.0 44 44 A S H X S+ 0 0 74 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.906 110.0 50.4 -68.9 -39.4 35.5 26.1 27.8 45 45 A E H X S+ 0 0 68 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.916 109.9 51.3 -67.7 -38.6 34.2 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.948 109.0 48.1 -63.9 -44.9 37.4 21.4 26.1 47 47 A D H X>S+ 0 0 32 -4,-2.2 4,-2.7 1,-0.2 5,-1.5 0.894 112.4 50.2 -60.5 -38.8 37.3 21.5 29.8 48 48 A K H <5S+ 0 0 137 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.846 112.2 48.0 -66.2 -36.6 33.7 20.5 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.861 121.0 35.5 -72.9 -35.1 34.5 17.6 27.5 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.684 103.1-127.2 -90.4 -29.2 37.5 16.4 29.6 51 51 A G T <5S+ 0 0 64 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.823 76.7 75.9 86.2 25.1 36.0 17.2 32.9 52 52 A R S - 0 0 9 -2,-1.0 3,-0.8 -11,-0.3 -1,-0.2 0.752 34.8-139.6 -90.7 -32.0 42.9 21.8 30.8 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.885 72.5 -61.3 68.6 34.9 44.3 25.1 29.7 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.550 117.5 101.3 66.9 13.8 43.9 23.9 26.1 57 57 A V B < +C 16 0B 55 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.989 45.7 178.9-128.2 136.2 46.2 20.9 26.5 58 58 A I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.850 27.0-107.7-131.7 168.2 45.3 17.2 27.0 59 59 A T > - 0 0 63 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.483 31.2-109.6 -91.0 167.2 47.0 14.0 27.4 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 120.4 53.4 -61.2 -43.7 47.3 11.2 24.8 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 109.0 49.4 -57.9 -42.1 45.0 9.1 26.9 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 108.6 52.8 -64.1 -42.8 42.4 11.9 27.0 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -34,-0.4 0.888 109.8 49.1 -60.4 -40.2 42.6 12.3 23.2 64 64 A E H X S+ 0 0 81 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.822 105.8 56.7 -69.7 -33.8 42.0 8.6 22.8 65 65 A K H X S+ 0 0 139 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.953 110.3 44.1 -63.7 -47.5 39.0 8.7 25.1 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.900 111.1 56.4 -62.4 -38.9 37.4 11.4 23.0 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.947 108.3 46.0 -59.4 -47.9 38.4 9.4 19.9 68 68 A N H X S+ 0 0 87 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.941 113.0 49.3 -60.7 -44.3 36.6 6.3 21.1 69 69 A Q H X S+ 0 0 100 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.916 112.3 49.7 -60.8 -39.8 33.5 8.3 22.1 70 70 A D H X S+ 0 0 33 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.879 110.4 47.2 -66.6 -41.3 33.5 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.916 113.2 50.3 -66.9 -41.3 33.8 6.8 16.6 72 72 A D H X S+ 0 0 99 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.947 109.6 50.7 -60.5 -46.0 31.1 5.3 18.7 73 73 A A H X S+ 0 0 57 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.882 108.3 52.3 -58.0 -40.7 28.9 8.3 18.2 74 74 A A H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.953 109.1 49.6 -63.0 -49.4 29.4 8.2 14.4 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 113.6 45.9 -55.8 -48.3 28.4 4.5 14.2 76 76 A R H X S+ 0 0 125 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.905 109.0 55.0 -65.6 -38.4 25.2 5.2 16.3 77 77 A G H X S+ 0 0 14 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.935 110.0 47.4 -59.4 -42.3 24.3 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 7,-0.5 0.966 112.3 48.8 -58.7 -52.5 24.5 6.1 11.1 79 79 A L H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.726 114.6 46.1 -62.2 -24.5 22.4 3.3 12.6 80 80 A R H 3< S+ 0 0 182 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.626 93.2 94.8 -92.7 -17.8 19.8 5.8 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 3,-0.5 0.856 100.1 69.0 -83.2 -42.4 22.1 6.1 6.2 85 85 A K H X S+ 0 0 83 -4,-3.2 4,-2.9 -7,-0.5 5,-0.2 0.868 98.9 47.9 -48.2 -49.1 21.2 2.9 7.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.835 112.2 50.9 -67.0 -31.2 20.1 1.0 4.8 87 87 A V H >> S+ 0 0 0 -3,-0.5 3,-0.8 -4,-0.4 4,-0.7 0.975 112.9 44.9 -68.5 -51.5 23.2 2.0 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.915 109.4 56.1 -54.8 -44.6 25.4 0.9 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.806 106.8 51.7 -62.2 -28.0 23.5 -2.3 6.1 90 90 A S H << S+ 0 0 38 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.615 95.2 89.5 -85.7 -9.5 24.1 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.3 31,-0.0 -4,-0.7 2,-0.0 -0.546 74.1-116.7 -91.2 159.4 27.9 -2.6 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.0 5,-0.2 -0.124 45.9 -89.0 -75.0 174.7 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -2,-0.1 0.861 122.7 46.7 -59.7 -40.9 33.2 -4.3 6.0 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.6 2,-0.2 3,-0.3 0.954 113.5 46.9 -69.5 -49.7 35.7 -2.1 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.842 106.0 59.3 -62.9 -31.6 33.1 0.2 2.6 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.931 103.9 52.5 -62.4 -38.4 31.3 0.5 5.9 97 97 A A H X S+ 0 0 8 -4,-1.4 4,-2.2 -3,-0.3 -2,-0.2 0.901 106.0 53.8 -64.0 -36.8 34.5 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.900 108.7 48.8 -63.6 -36.7 34.5 4.4 4.4 99 99 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 109.6 51.4 -68.2 -40.9 30.9 5.6 5.3 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.940 106.9 56.4 -60.7 -42.3 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 107.6 45.8 -53.6 -52.1 34.8 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.897 113.2 50.6 -62.0 -38.9 32.7 10.6 6.0 103 103 A V H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.921 109.4 50.1 -65.8 -40.9 30.2 10.7 8.9 104 104 A F H < S+ 0 0 31 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.950 115.4 45.9 -60.2 -42.6 33.0 11.4 11.4 105 105 A Q H < S+ 0 0 57 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.901 132.4 10.0 -70.4 -43.5 34.2 14.1 9.1 106 106 A M H X S- 0 0 56 -4,-3.0 4,-0.7 -5,-0.2 -3,-0.2 0.448 102.6-107.9-126.9 10.3 31.1 15.9 8.3 107 107 A G H X - 0 0 30 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.204 35.8 -80.2 81.2 155.6 28.3 14.7 10.4 108 108 A E H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.821 128.8 53.4 -58.1 -37.2 25.3 12.5 9.7 109 109 A T H > S+ 0 0 119 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.930 107.6 48.3 -66.7 -48.5 23.5 15.4 8.2 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.6 1,-0.2 -2,-0.2 0.939 117.1 43.8 -58.1 -49.3 26.2 16.3 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.905 104.0 60.3 -63.9 -44.6 26.5 12.8 4.6 112 112 A A H 3< S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 96.6 68.7 -57.2 -20.5 22.8 12.0 4.4 113 113 A G T << S+ 0 0 56 -4,-1.0 2,-1.3 -3,-0.6 3,-0.3 0.570 73.2 84.2 -75.6 -8.3 22.8 14.9 1.8 114 114 A F <> + 0 0 40 -3,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.330 56.8 158.2 -89.8 53.6 24.8 12.9 -0.8 115 115 A T H > + 0 0 71 -2,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.854 64.8 47.8 -44.8 -50.3 21.5 11.4 -1.9 116 116 A N H > S+ 0 0 100 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.918 113.1 45.6 -65.0 -43.4 22.7 10.4 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 110.1 56.5 -66.0 -37.2 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.887 106.6 49.8 -58.2 -44.3 24.1 7.0 -1.5 119 119 A R H X S+ 0 0 154 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.932 111.7 48.1 -61.8 -46.4 21.8 5.5 -4.0 120 120 A M H <>S+ 0 0 39 -4,-2.1 5,-2.3 1,-0.2 4,-0.3 0.898 110.8 50.5 -64.5 -38.9 24.7 4.4 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.928 109.1 51.5 -63.5 -44.8 26.5 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.900 110.4 49.3 -59.5 -36.8 23.4 1.0 -2.4 123 123 A Q T 3<5S- 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.449 112.5-120.6 -83.3 2.5 23.2 -0.3 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.7 2,-1.3 -4,-0.3 -3,-0.2 0.735 63.8 144.9 65.3 28.2 26.8 -1.4 -5.9 125 125 A R >< + 0 0 105 -5,-2.3 4,-2.3 1,-0.2 5,-0.2 -0.658 22.0 173.2 -96.4 74.0 27.7 0.9 -8.9 126 126 A W H > + 0 0 50 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.829 67.8 45.5 -53.5 -50.0 31.2 1.7 -7.5 127 127 A D H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 114.5 49.4 -67.9 -36.8 32.7 3.6 -10.3 128 128 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.875 110.3 48.7 -70.7 -38.2 29.7 5.8 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.888 109.0 55.8 -66.2 -36.3 29.4 6.6 -7.1 130 130 A A H X S+ 0 0 10 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.918 108.3 46.7 -61.6 -45.7 33.1 7.5 -7.1 131 131 A V H X S+ 0 0 90 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.940 114.5 47.5 -63.0 -44.8 32.6 10.0 -9.8 132 132 A N H >< S+ 0 0 38 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.896 107.0 56.0 -64.2 -42.1 29.5 11.4 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.877 101.2 59.7 -56.6 -35.9 31.3 11.7 -4.8 134 134 A A H 3< S+ 0 0 28 -4,-1.4 2,-1.9 1,-0.2 -1,-0.2 0.712 85.6 79.7 -66.4 -22.9 34.0 13.8 -6.4 135 135 A K S << S+ 0 0 161 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.476 80.8 97.6 -87.2 67.7 31.5 16.4 -7.5 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.997 84.2-118.7-154.2 158.3 31.4 18.0 -4.1 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.873 114.6 63.3 -61.5 -39.7 32.8 20.8 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.940 106.2 42.4 -50.4 -52.4 34.1 18.0 0.2 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.925 115.6 49.4 -63.1 -45.4 36.3 16.7 -2.6 140 140 A N H < S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.827 114.5 44.3 -63.1 -34.8 37.4 20.2 -3.7 141 141 A Q H < S+ 0 0 106 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 132.6 16.9 -79.6 -42.3 38.3 21.4 -0.2 142 142 A T S X S+ 0 0 25 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 -0.637 72.7 164.3-133.9 72.4 40.2 18.3 1.0 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.846 71.6 52.4 -58.0 -42.5 41.0 16.4 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.949 114.7 40.8 -65.2 -46.2 43.7 14.1 -0.7 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.963 114.9 52.9 -64.9 -49.4 41.5 12.8 2.1 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.918 106.6 54.0 -53.9 -42.5 38.5 12.7 -0.2 147 147 A K H X S+ 0 0 94 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.878 105.7 52.4 -62.0 -36.4 40.5 10.6 -2.7 148 148 A R H X S+ 0 0 50 -4,-1.6 4,-1.5 -3,-0.5 12,-0.2 0.947 114.1 42.1 -64.5 -43.9 41.4 8.0 -0.0 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.917 114.3 50.4 -67.3 -43.8 37.8 7.5 1.0 150 150 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.906 109.6 51.0 -61.8 -42.1 36.5 7.5 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.6 -5,-0.2 6,-0.4 0.843 106.7 56.1 -63.3 -33.7 39.1 4.9 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.903 110.0 44.6 -63.2 -42.3 38.0 2.8 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.871 114.2 50.0 -70.9 -38.2 34.4 2.9 -1.8 154 154 A R H < S+ 0 0 88 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.927 125.0 24.7 -66.4 -44.5 35.5 2.1 -5.4 155 155 A T H < S- 0 0 47 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.650 85.9-136.5 -96.4 -25.4 37.7 -0.8 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.2 -5,-0.3 -62,-0.2 0.738 73.4 100.8 70.7 19.5 36.4 -2.2 -1.3 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.820 80.6-118.3-129.7 170.6 40.1 -2.5 -0.2 158 158 A W S >> S+ 0 0 41 -2,-0.2 3,-1.9 1,-0.2 4,-1.0 0.144 71.9 120.1 -94.1 19.6 42.5 -0.6 2.0 159 159 A D G >4 + 0 0 93 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.847 67.3 59.5 -54.7 -35.7 45.0 0.2 -0.7 160 160 A A G 34 S+ 0 0 26 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.673 110.9 43.8 -66.6 -18.1 44.7 4.0 -0.4 161 161 A Y G X4 S+ 0 0 1 -3,-1.9 3,-0.7 -13,-0.1 2,-0.4 0.531 85.7 101.2-104.8 -11.4 45.8 3.7 3.2 162 162 A K T << S+ 0 0 98 -4,-1.0 0, 0.0 -3,-0.7 0, 0.0 -0.698 85.3 30.5 -80.1 131.8 48.6 1.2 2.8 163 163 A N T 3 0 0 170 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.321 360.0 360.0 117.6 -37.6 51.9 3.2 2.9 164 164 A L < 0 0 133 -3,-0.7 -2,-0.1 -4,-0.1 -3,-0.1 0.833 360.0 360.0 -65.2 360.0 50.7 6.0 5.2