==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-03 1P2L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.MOOERS,D.DATTA,W.A.BAASE,E.S.ZOLLARS,S.L.MAYO, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 69.5 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 . 10 6.1 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 1 0 2 1 0 0 1 1 1 0 0 0 0 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.0 43.1 -1.6 8.7 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.915 360.0 -81.3-161.3 170.9 39.7 -0.7 10.4 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.835 127.2 50.3 -53.0 -40.4 37.6 2.4 11.0 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 114.1 43.1 -65.2 -46.8 39.7 3.6 13.9 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.884 114.8 52.7 -64.7 -33.3 43.0 3.2 12.0 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.957 112.4 41.6 -67.2 -53.2 41.3 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.839 109.1 59.9 -65.3 -31.7 40.1 7.8 10.8 8 8 A R H X S+ 0 0 106 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.900 108.8 45.6 -63.0 -36.6 43.4 8.2 12.7 9 9 A I H < S+ 0 0 50 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.954 116.6 44.3 -67.1 -47.8 45.1 8.5 9.4 10 10 A D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.768 124.6 31.6 -68.7 -31.1 42.5 11.0 8.0 11 11 A E H < S- 0 0 38 -4,-2.5 19,-0.5 1,-0.2 -1,-0.2 0.609 92.3-151.1-105.6 -18.2 42.3 13.2 11.1 12 12 A G < - 0 0 23 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.2 -0.149 23.9 -88.7 73.8-174.5 45.8 13.0 12.7 13 13 A L + 0 0 48 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.944 45.5 166.9-142.8 117.3 46.4 13.4 16.4 14 14 A R E -A 28 0A 141 14,-1.7 14,-2.7 -2,-0.4 4,-0.1 -1.000 21.9-159.0-135.2 130.0 47.1 16.8 18.1 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.511 73.2 59.2 -90.1 -5.9 47.0 17.3 21.8 16 16 A K E S-C 57 0B 144 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.895 101.4 -83.2-121.0 153.4 46.4 21.0 21.9 17 17 A I E + 0 0 33 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.259 59.7 163.9 -54.6 133.7 43.5 22.9 20.5 18 18 A Y E -A 26 0A 29 8,-2.8 8,-3.0 6,-0.1 2,-0.5 -0.888 39.4 -97.3-143.3 173.5 44.0 23.6 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.856 34.9-139.8-102.2 132.3 41.9 24.7 13.8 20 20 A D > - 0 0 45 4,-3.0 3,-2.2 -2,-0.5 -1,-0.1 0.011 42.2 -78.3 -73.9-169.5 40.6 22.0 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.712 134.0 51.1 -64.6 -21.5 40.4 22.3 7.7 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.371 123.1-104.1 -92.3 -0.9 37.3 24.4 8.0 23 23 A G S < S+ 0 0 39 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.597 76.1 139.5 89.3 12.1 38.9 26.8 10.5 24 24 A Y - 0 0 69 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.742 60.8-103.9-100.4 137.3 37.1 25.3 13.5 25 25 A Y E +A 19 0A 33 11,-0.5 8,-2.7 9,-0.4 9,-1.3 -0.325 55.1 156.1 -58.0 131.1 38.6 24.6 16.9 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.8 6,-0.3 2,-0.3 -0.909 20.5-166.0-147.5 168.4 39.3 20.9 17.4 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.971 51.1 7.8-154.9 165.7 41.5 18.6 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.7 -2,-0.3 2,-1.0 -0.415 123.2 -6.6 67.4-128.8 42.8 15.0 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.706 128.1 -52.3-101.9 76.3 41.8 12.8 16.6 30 30 A G T 4 S+ 0 0 12 -2,-1.0 2,-1.2 -19,-0.5 -2,-0.2 0.791 82.6 162.4 65.7 27.0 39.4 15.2 14.7 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-1.7 -20,-0.1 2,-0.2 -0.672 31.6-144.6 -84.5 102.7 37.2 16.0 17.8 32 32 A L E -B 26 0A 76 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.455 17.8-174.7 -64.5 128.5 35.4 19.1 16.7 33 33 A L - 0 0 27 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.885 56.9 -36.2 -93.0 -44.4 34.9 21.4 19.7 34 34 A T - 0 0 39 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.965 34.6-126.3-173.1 159.3 32.8 24.2 18.2 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.461 75.7 116.7 -92.3 -2.6 32.1 26.3 15.2 36 36 A S - 0 0 37 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.339 66.1-141.0 -65.2 142.5 32.5 29.4 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.529 75.3 103.2 -82.7 1.1 35.4 31.7 16.5 38 38 A S > - 0 0 46 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.717 58.8-160.6 -89.6 118.9 35.9 32.2 20.2 39 39 A L H > S+ 0 0 88 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.868 94.9 55.7 -60.9 -35.9 38.8 30.3 21.6 40 40 A N H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 105.4 51.7 -64.3 -36.7 37.3 30.7 25.1 41 41 A A H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 110.6 48.7 -63.2 -42.5 34.2 29.0 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.891 109.6 52.1 -62.7 -40.3 36.3 26.2 22.5 43 43 A K H X S+ 0 0 53 -4,-2.7 4,-2.6 1,-0.2 11,-0.2 0.894 108.1 51.4 -64.0 -39.6 38.1 25.9 25.8 44 44 A S H X S+ 0 0 72 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 108.9 50.5 -61.2 -44.8 34.8 25.6 27.6 45 45 A E H X S+ 0 0 15 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.906 109.9 51.6 -60.7 -42.7 33.7 22.9 25.3 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.952 109.0 48.9 -59.5 -47.3 36.9 21.0 25.9 47 47 A D H X>S+ 0 0 29 -4,-2.6 4,-2.6 1,-0.2 5,-1.1 0.932 112.8 47.8 -59.2 -43.2 36.6 21.2 29.7 48 48 A K H <5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.8 49.8 -64.4 -41.6 33.0 19.9 29.5 49 49 A A H <5S+ 0 0 39 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.877 119.2 34.9 -66.3 -38.9 34.0 17.1 27.2 50 50 A I H <5S- 0 0 33 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.701 104.2-123.4 -90.1 -22.2 36.9 15.9 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.728 78.0 73.2 88.7 20.8 35.4 16.6 32.7 52 52 A R S - 0 0 12 -2,-1.1 3,-1.0 -11,-0.2 -1,-0.2 0.581 36.1-138.9 -93.4 -22.8 42.2 21.8 31.0 55 55 A N T 3 S- 0 0 124 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.952 72.8 -60.9 63.5 30.1 43.7 24.9 29.7 56 56 A G T 3 S+ 0 0 11 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.482 112.8 96.1 72.8 6.9 43.5 23.6 26.0 57 57 A V B < -C 16 0B 69 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.989 45.7-179.8-129.2 138.9 45.8 20.6 26.3 58 58 A I - 0 0 5 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.824 27.3-106.6-128.5 170.8 44.8 17.0 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.460 32.9-108.0 -91.1 168.3 46.7 13.6 27.1 60 60 A K H > S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.912 120.6 52.3 -60.1 -43.4 46.8 10.9 24.5 61 61 A D H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.4 49.0 -61.1 -41.4 44.5 8.7 26.5 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 110.4 51.1 -63.2 -40.5 42.0 11.5 26.8 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -34,-0.4 0.935 111.3 47.9 -61.4 -43.9 42.3 12.1 23.0 64 64 A E H X S+ 0 0 72 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.832 107.4 56.3 -67.3 -31.8 41.6 8.4 22.4 65 65 A K H X S+ 0 0 134 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.961 109.2 44.8 -66.0 -45.7 38.7 8.5 24.8 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.894 112.5 53.6 -62.7 -35.5 36.9 11.3 22.8 67 67 A F H X S+ 0 0 11 -4,-2.0 4,-3.0 -5,-0.2 5,-0.3 0.935 106.8 50.4 -65.1 -44.6 37.8 9.4 19.6 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.950 113.8 46.3 -56.4 -48.1 36.1 6.2 20.9 69 69 A Q H X S+ 0 0 98 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.909 112.5 50.5 -60.8 -42.0 33.0 8.2 21.8 70 70 A D H X S+ 0 0 33 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.889 109.9 47.9 -65.5 -42.2 33.1 10.0 18.4 71 71 A V H X S+ 0 0 6 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.966 114.1 48.6 -64.1 -47.5 33.3 6.8 16.4 72 72 A D H X S+ 0 0 85 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.935 109.9 51.5 -58.0 -42.5 30.5 5.3 18.4 73 73 A A H X S+ 0 0 60 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.893 107.7 52.7 -64.7 -34.6 28.4 8.4 18.0 74 74 A A H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.941 111.1 45.6 -66.1 -43.5 28.8 8.3 14.2 75 75 A V H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.948 113.8 51.4 -61.3 -45.0 27.7 4.7 14.0 76 76 A R H X S+ 0 0 121 -4,-3.0 4,-1.7 -5,-0.3 -1,-0.2 0.913 108.6 50.5 -58.7 -40.9 24.8 5.6 16.3 77 77 A G H X S+ 0 0 6 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.908 109.8 49.3 -66.9 -38.5 23.8 8.5 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 7,-0.4 0.952 110.9 51.4 -63.8 -46.1 23.8 6.4 11.0 79 79 A L H 3< S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.781 112.0 46.1 -63.6 -26.7 21.6 3.8 12.7 80 80 A R H 3< S+ 0 0 164 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.2 0.479 94.7 92.0 -91.5 -7.9 19.1 6.4 13.9 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.8 -6,-0.2 5,-0.3 0.816 100.5 71.3 -90.7 -33.2 21.5 6.4 6.2 85 85 A K H X S+ 0 0 86 -4,-2.7 4,-3.1 -7,-0.4 5,-0.2 0.934 98.4 48.0 -51.1 -53.0 20.5 3.2 8.0 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.883 113.0 50.0 -59.5 -32.6 19.4 1.3 4.9 87 87 A I H > S+ 0 0 6 -4,-0.4 4,-0.8 -3,-0.2 3,-0.4 0.974 111.9 46.7 -69.0 -50.1 22.5 2.3 3.1 88 88 A Y H >< S+ 0 0 35 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.939 111.5 52.4 -53.5 -46.9 24.8 1.2 5.9 89 89 A D H 3< S+ 0 0 72 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.843 106.3 54.0 -62.9 -29.5 22.8 -2.1 6.2 90 90 A S H 3< S+ 0 0 31 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.619 97.0 88.1 -79.3 -12.7 23.3 -2.8 2.5 91 91 A L S << S- 0 0 6 -3,-1.4 2,-0.1 -4,-0.8 31,-0.0 -0.556 75.5-118.1 -94.1 158.9 27.1 -2.4 2.6 92 92 A D > - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.255 45.2 -95.2 -75.7 167.8 30.0 -4.8 3.3 93 93 A A H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.822 122.1 51.9 -62.5 -33.8 32.2 -4.0 6.3 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.959 113.5 43.8 -68.7 -49.1 34.9 -2.0 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.855 107.7 60.2 -64.1 -31.7 32.3 0.2 2.7 96 96 A R H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.939 102.8 52.1 -59.2 -43.4 30.5 0.7 6.0 97 97 A A H X S+ 0 0 7 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.925 105.7 55.8 -59.7 -40.6 33.8 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.936 109.3 45.9 -57.8 -41.6 33.8 4.6 4.4 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.926 110.9 51.4 -68.2 -38.0 30.3 5.8 5.4 100 100 A I H X S+ 0 0 7 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.924 108.1 55.2 -61.6 -41.2 31.2 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.942 107.9 47.0 -55.1 -53.1 34.2 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.922 113.1 48.6 -56.3 -46.0 32.0 10.6 6.0 103 103 A V H X S+ 0 0 6 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.909 108.4 53.6 -63.4 -38.9 29.6 11.0 8.9 104 104 A F H < S+ 0 0 31 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.945 115.9 41.5 -59.4 -42.4 32.5 11.6 11.4 105 105 A Q H < S+ 0 0 51 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.905 133.6 15.2 -74.0 -42.0 33.7 14.3 9.1 106 106 A M H < S- 0 0 58 -4,-2.9 4,-0.5 -5,-0.2 -3,-0.2 0.480 103.0-113.4-115.3 -4.1 30.5 16.0 8.2 107 107 A G X - 0 0 32 -4,-3.1 4,-2.6 -5,-0.3 5,-0.3 0.169 34.1 -78.0 85.4 152.4 27.8 14.8 10.5 108 108 A E H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 129.0 49.0 -54.9 -52.8 24.7 12.7 10.0 109 109 A T H > S+ 0 0 119 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.913 109.5 53.6 -57.1 -44.0 22.6 15.5 8.5 110 110 A G H >4 S+ 0 0 31 -4,-0.5 3,-1.1 1,-0.2 4,-0.3 0.969 113.1 40.5 -55.4 -56.6 25.4 16.4 6.1 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 -1,-0.2 0.892 106.5 63.2 -64.8 -36.8 25.8 12.9 4.7 112 112 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.767 94.6 64.7 -61.8 -18.3 22.1 12.1 4.6 113 113 A G T << S+ 0 0 54 -3,-1.1 2,-2.1 -4,-0.9 3,-0.3 0.677 75.0 89.7 -76.3 -15.9 21.9 15.0 2.1 114 114 A F <> + 0 0 45 -3,-2.3 4,-3.0 -4,-0.3 5,-0.3 -0.146 55.0 156.6 -75.3 48.3 24.0 13.0 -0.4 115 115 A T H > + 0 0 77 -2,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.821 65.6 41.7 -41.4 -57.1 20.7 11.5 -1.8 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.898 116.5 48.3 -65.8 -42.3 21.8 10.5 -5.3 117 117 A S H > S+ 0 0 3 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.940 111.2 52.2 -62.4 -43.9 25.2 9.2 -4.2 118 118 A L H X S+ 0 0 10 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.901 108.2 50.8 -56.8 -44.2 23.5 7.2 -1.5 119 119 A R H X S+ 0 0 113 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.944 109.5 49.7 -62.5 -44.1 21.1 5.7 -4.0 120 120 A M H <>S+ 0 0 39 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.879 111.0 51.2 -63.5 -33.8 24.0 4.6 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.916 108.7 49.1 -67.5 -42.2 25.7 3.1 -3.4 122 122 A Q H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 110.4 52.1 -65.9 -28.8 22.6 1.1 -2.4 123 123 A Q T 3<5S- 0 0 86 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.538 110.6-126.6 -79.2 -10.3 22.4 0.0 -6.0 124 124 A K T < 5 + 0 0 99 -3,-1.2 2,-1.3 -4,-0.4 -3,-0.2 0.802 60.4 146.3 65.4 33.5 26.0 -1.1 -5.8 125 125 A R >< + 0 0 123 -5,-2.5 4,-2.6 1,-0.2 5,-0.2 -0.744 23.1 176.0 -97.9 78.0 26.9 0.9 -9.0 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.870 68.4 46.3 -58.3 -45.4 30.4 1.6 -7.6 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 115.8 46.8 -65.8 -42.1 32.0 3.5 -10.4 128 128 A E H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.903 111.1 51.2 -66.2 -39.3 29.0 5.7 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.935 108.9 52.9 -60.8 -44.6 28.7 6.4 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.897 109.7 47.2 -60.2 -42.4 32.4 7.3 -7.0 131 131 A V H < S+ 0 0 88 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.936 114.6 47.9 -63.7 -42.8 31.9 9.9 -9.8 132 132 A N H >< S+ 0 0 37 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.897 105.8 55.8 -66.4 -40.4 28.9 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.797 101.3 60.7 -60.7 -31.4 30.4 11.6 -4.7 134 134 A A T 3< S+ 0 0 29 -4,-1.1 2,-1.7 -3,-0.4 -1,-0.3 0.632 84.0 80.3 -72.0 -17.1 33.2 13.7 -6.3 135 135 A K S < S+ 0 0 154 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.543 81.3 97.8 -87.3 66.9 30.7 16.3 -7.4 136 136 A S S > S- 0 0 15 -2,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.997 85.2-117.1-152.7 156.8 30.6 17.9 -4.0 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.933 115.9 61.0 -59.2 -39.1 31.9 20.7 -1.9 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.942 106.5 43.4 -52.7 -48.2 33.3 17.9 0.3 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.943 114.9 49.8 -63.9 -46.2 35.5 16.6 -2.5 140 140 A N H < S+ 0 0 108 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.5 41.7 -60.9 -42.1 36.6 20.1 -3.5 141 141 A Q H < S+ 0 0 109 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.828 131.7 21.9 -76.8 -34.7 37.6 21.2 -0.0 142 142 A T S X S+ 0 0 17 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.562 73.6 159.5-132.3 72.8 39.3 18.0 1.1 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.863 70.7 50.4 -67.3 -39.5 40.2 16.3 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.936 116.8 41.0 -66.2 -41.8 43.0 13.9 -0.9 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.922 115.8 51.1 -66.2 -46.7 40.9 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.922 106.6 53.5 -57.8 -44.6 37.8 12.4 -0.2 147 147 A K H X S+ 0 0 97 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.875 109.0 51.2 -58.7 -36.9 39.6 10.5 -2.9 148 148 A R H X S+ 0 0 54 -4,-1.5 4,-1.7 2,-0.2 12,-0.2 0.955 113.2 42.9 -64.7 -48.8 40.7 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.906 115.0 50.2 -63.1 -44.6 37.1 7.5 1.1 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-3.1 -5,-0.2 -1,-0.2 0.922 107.9 53.0 -61.6 -44.4 35.7 7.3 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.7 4,-2.5 -5,-0.3 6,-0.4 0.882 107.3 53.6 -57.6 -36.0 38.3 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.934 111.9 43.3 -66.3 -42.9 37.2 2.7 -0.5 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 114.5 52.1 -69.2 -36.0 33.5 2.9 -1.7 154 154 A R H < S+ 0 0 106 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.922 125.3 20.6 -63.7 -46.0 34.6 2.2 -5.3 155 155 A T H < S- 0 0 38 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.610 85.8-132.5-100.5 -24.6 36.6 -0.9 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.4 -62,-0.2 0.771 75.4 106.4 73.5 18.1 35.5 -2.3 -1.2 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.797 78.5-124.7-124.4 170.1 39.3 -2.5 -0.4 158 158 A W >> + 0 0 44 -2,-0.3 3,-2.3 1,-0.2 4,-1.0 0.128 69.6 123.4 -98.1 20.6 41.6 -0.6 1.9 159 159 A D T 34 + 0 0 87 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.818 67.9 59.2 -54.8 -33.4 44.1 0.1 -1.0 160 160 A A T 34 S+ 0 0 23 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.673 111.6 40.8 -70.1 -16.0 43.8 3.9 -0.5 161 161 A Y T X4 S+ 0 0 3 -3,-2.3 3,-1.4 -13,-0.1 -1,-0.2 0.481 87.8 102.9-109.9 -8.0 45.1 3.5 3.1 162 162 A K T 3< S+ 0 0 92 -4,-1.0 0, 0.0 -3,-0.5 0, 0.0 -0.574 82.8 31.3 -76.1 147.9 47.7 1.0 2.6 163 163 A N T 3 0 0 167 -2,-0.2 -1,-0.2 1,-0.0 -2,-0.0 0.441 360.0 360.0 83.8 5.5 51.1 2.6 2.7 164 164 A L < 0 0 120 -3,-1.4 -2,-0.1 0, 0.0 -4,-0.0 0.349 360.0 360.0-109.8 360.0 49.9 5.3 5.1