==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUN-97 220L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.P.BALDWIN,W.A.BAASE,X.-J.ZHANG,V.FEHER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 7.4 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 2 1 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 144.4 43.5 -1.9 9.1 2 2 A N > - 0 0 68 95,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.911 360.0 -85.4-150.7 175.5 40.4 -0.8 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.854 123.3 51.5 -56.4 -40.8 38.2 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 113.3 42.7 -64.2 -47.2 40.4 3.6 14.2 5 5 A E H > S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.921 113.2 54.7 -67.6 -38.9 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.4 0.965 111.9 40.5 -58.1 -55.5 42.0 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.4 0.880 109.0 61.6 -65.4 -31.0 40.7 7.9 10.9 8 8 A R H X S+ 0 0 98 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.854 107.2 47.0 -61.1 -31.6 43.9 8.3 12.9 9 9 A I H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.934 116.4 41.6 -74.8 -45.3 45.7 8.6 9.5 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.829 125.2 33.3 -72.5 -32.7 43.2 11.0 8.0 11 11 A E H < S- 0 0 44 -4,-3.1 19,-0.4 -5,-0.2 -1,-0.2 0.704 91.5-153.5 -97.9 -22.2 42.8 13.2 11.1 12 12 A G < - 0 0 24 -4,-1.3 2,-0.4 -5,-0.4 -1,-0.1 -0.127 23.4 -86.8 74.2-176.9 46.2 13.1 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 42.7 171.5-135.9 117.7 46.8 13.6 16.6 14 14 A R E -A 28 0A 141 14,-1.8 14,-2.1 -2,-0.4 4,-0.1 -0.996 20.8-162.0-131.5 127.3 47.3 17.0 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.445 74.0 60.6 -85.9 -1.4 47.4 17.6 21.9 16 16 A K E S-C 57 0B 142 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.907 100.7 -85.5-124.5 153.6 46.7 21.5 21.8 17 17 A I E + 0 0 28 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.266 59.5 169.1 -53.7 139.8 43.8 23.3 20.5 18 18 A Y E -A 26 0A 27 8,-2.7 8,-3.2 6,-0.1 2,-0.4 -0.884 35.5-102.2-144.4 173.8 44.2 23.8 16.7 19 19 A K E -A 25 0A 112 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.863 32.6-139.8-103.2 137.3 42.2 25.0 13.7 20 20 A D > - 0 0 49 4,-2.4 3,-1.6 -2,-0.4 -1,-0.1 -0.046 42.3 -78.5 -80.0-164.1 40.9 22.4 11.3 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.769 134.8 48.4 -67.2 -26.5 40.8 22.8 7.5 22 22 A E T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.372 123.7-103.4 -92.7 0.2 37.7 25.0 7.8 23 23 A G S < S+ 0 0 34 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.641 73.8 142.0 87.6 18.9 39.3 27.2 10.5 24 24 A Y - 0 0 75 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.763 59.6-101.3 -98.5 147.0 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 36 9,-0.6 8,-2.5 11,-0.4 9,-1.3 -0.381 55.4 161.0 -63.5 127.9 38.8 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.2 -8,-2.7 6,-0.2 2,-0.3 -0.908 19.1-168.9-143.6 166.6 39.6 21.4 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.1 -2,-0.3 2,-0.2 -0.981 50.3 1.8-153.2 164.8 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.8 -2,-0.3 2,-0.9 -0.394 121.9 -5.3 67.2-128.1 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.673 128.1 -52.3-104.3 74.3 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.786 84.6 161.0 69.8 25.8 39.7 15.5 14.7 31 31 A H E < -B 27 0A 31 -4,-2.1 -4,-1.7 1,-0.0 -1,-0.2 -0.663 33.0-142.6 -85.6 103.5 37.5 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.405 20.2-177.8 -66.6 126.9 35.6 19.5 16.8 33 33 A L E - 0 0 15 -8,-2.5 2,-0.3 1,-0.3 -7,-0.2 0.907 57.7 -30.1 -89.8 -50.6 35.2 21.8 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.3 -0.989 33.3-133.9-164.3 160.7 33.2 24.6 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.510 74.0 113.5 -96.0 -6.7 32.4 26.7 15.3 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.384 71.3-133.4 -69.4 139.8 32.8 29.8 17.3 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.554 77.4 100.9 -67.6 -13.6 35.6 32.1 16.4 38 38 A S > - 0 0 44 1,-0.1 4,-1.9 -13,-0.0 3,-0.1 -0.696 59.3-157.4 -90.1 125.0 36.5 32.5 20.1 39 39 A L H > S+ 0 0 63 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.827 95.8 56.7 -64.5 -33.8 39.3 30.6 21.7 40 40 A N H > S+ 0 0 119 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.919 104.1 51.5 -67.2 -40.7 37.7 31.0 25.1 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 111.3 50.8 -58.6 -37.6 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.898 109.1 48.8 -66.4 -43.3 36.8 26.6 22.7 43 43 A K H X S+ 0 0 76 -4,-2.9 4,-2.3 1,-0.2 11,-0.2 0.914 110.2 52.4 -66.1 -36.5 38.6 26.3 26.0 44 44 A S H X S+ 0 0 70 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.924 110.1 47.5 -64.1 -42.5 35.3 26.1 27.7 45 45 A E H X S+ 0 0 67 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.913 110.5 52.7 -69.2 -34.7 34.1 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 0.915 109.0 48.1 -63.2 -45.4 37.2 21.4 26.0 47 47 A D H X>S+ 0 0 32 -4,-2.3 4,-2.3 1,-0.2 5,-1.0 0.907 111.6 49.8 -62.3 -41.1 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 143 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.848 111.8 49.8 -66.2 -34.7 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.895 121.5 32.4 -74.1 -34.3 34.4 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.688 103.6-125.2 -92.3 -30.5 37.3 16.3 29.5 51 51 A G T <5S+ 0 0 65 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.794 75.3 73.3 89.3 29.5 36.0 17.2 32.8 52 52 A R S - 0 0 3 -2,-0.8 3,-1.9 -11,-0.2 -1,-0.2 0.579 32.0-137.5 -97.1 -13.6 42.7 21.9 30.9 55 55 A N T 3 S- 0 0 142 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.708 72.5 -68.0 67.2 12.7 44.6 25.0 29.9 56 56 A G T 3 S+ 0 0 5 1,-0.2 -39,-1.5 -13,-0.2 2,-0.4 0.639 115.6 101.4 78.3 13.2 43.9 24.0 26.3 57 57 A V B < -C 16 0B 54 -3,-1.9 2,-0.3 -41,-0.2 -1,-0.2 -0.993 46.5-179.7-133.2 136.8 46.1 21.0 26.4 58 58 A I - 0 0 5 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.762 25.0-108.6-129.0 172.8 45.3 17.3 26.9 59 59 A T > - 0 0 64 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.596 32.3-106.2 -97.4 166.8 47.0 14.1 27.1 60 60 A K H > S+ 0 0 107 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.912 121.1 51.3 -57.0 -44.3 47.2 11.2 24.7 61 61 A D H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.905 109.4 50.0 -60.0 -43.5 44.9 9.1 26.8 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 109.5 51.3 -63.9 -41.9 42.4 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -34,-0.4 0.897 110.1 50.4 -62.1 -37.1 42.6 12.4 23.1 64 64 A E H X S+ 0 0 79 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.827 106.5 54.3 -73.1 -28.6 41.9 8.7 22.7 65 65 A K H X S+ 0 0 139 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.938 109.1 46.8 -69.0 -42.5 39.0 8.8 25.0 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 111.9 54.2 -60.9 -40.5 37.4 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.942 106.5 49.2 -58.9 -50.4 38.2 9.5 19.9 68 68 A N H X S+ 0 0 88 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.918 112.8 49.1 -55.4 -42.2 36.5 6.4 21.2 69 69 A Q H X S+ 0 0 96 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.913 110.3 49.0 -67.1 -41.6 33.5 8.4 22.0 70 70 A D H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.857 110.6 49.3 -67.6 -34.9 33.3 10.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.960 112.7 49.3 -68.1 -45.2 33.6 6.8 16.6 72 72 A D H X S+ 0 0 106 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.936 110.8 49.1 -58.1 -45.3 30.9 5.3 18.7 73 73 A A H X S+ 0 0 62 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.915 109.3 53.2 -64.1 -38.3 28.7 8.4 18.2 74 74 A A H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.956 110.6 46.1 -60.7 -50.0 29.3 8.2 14.4 75 75 A V H X S+ 0 0 35 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.954 113.0 49.5 -57.3 -48.9 28.3 4.5 14.2 76 76 A R H X S+ 0 0 115 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.892 107.9 54.8 -61.3 -36.7 25.2 5.1 16.4 77 77 A G H X S+ 0 0 13 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.860 107.4 49.6 -63.3 -37.8 24.2 8.1 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.7 3,-1.0 -3,-0.3 7,-0.5 0.955 110.7 50.1 -64.4 -48.4 24.3 6.0 11.1 79 79 A L H 3< S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.762 112.9 46.1 -64.4 -25.2 22.2 3.3 12.7 80 80 A R H 3< S+ 0 0 170 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.520 93.8 94.0 -94.2 -6.7 19.6 5.8 13.8 81 81 A N S+ 0 0 0 -3,-0.2 4,-2.5 -6,-0.2 3,-0.4 0.846 99.1 67.1 -91.3 -41.4 21.9 6.0 6.3 85 85 A K H X S+ 0 0 88 -4,-3.0 4,-2.8 -7,-0.5 5,-0.2 0.893 100.8 50.9 -51.0 -42.5 21.1 2.7 8.0 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.879 111.2 48.4 -67.6 -32.5 20.0 1.0 4.8 87 87 A V H > S+ 0 0 0 -3,-0.4 4,-0.8 -4,-0.4 3,-0.5 0.964 113.0 46.7 -69.1 -48.2 23.1 1.9 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.929 110.0 53.3 -59.2 -47.1 25.3 0.8 5.8 89 89 A D H 3< S+ 0 0 73 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.819 106.4 54.8 -62.0 -24.6 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.672 96.4 88.0 -81.1 -15.7 24.0 -3.1 2.5 91 91 A L S << S- 0 0 7 -3,-1.2 31,-0.0 -4,-0.8 2,-0.0 -0.500 74.4-118.5 -90.0 158.7 27.7 -2.7 2.6 92 92 A D > - 0 0 57 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.228 45.7 -91.2 -79.4 173.3 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.859 122.0 48.8 -58.8 -43.2 33.0 -4.4 6.2 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.5 62,-0.2 -1,-0.2 0.950 113.1 46.4 -62.6 -47.8 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 105.8 61.0 -67.7 -30.8 33.0 0.1 2.8 96 96 A R H X S+ 0 0 82 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.950 102.9 51.7 -59.5 -41.1 31.2 0.4 6.1 97 97 A A H X S+ 0 0 9 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.898 105.7 54.5 -62.1 -37.6 34.3 1.9 7.5 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.877 107.2 50.1 -66.1 -34.0 34.5 4.3 4.7 99 99 A L H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.878 109.1 52.3 -69.9 -35.0 30.9 5.5 5.5 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.935 106.7 53.3 -64.9 -43.7 31.8 5.9 9.1 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.952 109.6 48.3 -52.2 -51.1 34.8 8.0 8.1 102 102 A A H X S+ 0 0 6 -4,-2.1 4,-3.2 1,-0.2 5,-0.4 0.905 111.6 48.6 -59.1 -44.2 32.6 10.3 6.0 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.935 109.6 53.1 -63.6 -40.3 30.1 10.7 8.8 104 104 A F H < S+ 0 0 32 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.914 115.5 41.1 -59.6 -40.8 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 132.5 17.3 -75.7 -47.9 34.2 14.2 9.0 106 106 A M H X S- 0 0 57 -4,-3.2 4,-0.6 -5,-0.2 -3,-0.2 0.482 103.9-113.4-111.8 2.3 31.0 15.8 7.8 107 107 A G H X - 0 0 32 -4,-2.9 4,-2.7 -5,-0.4 5,-0.3 0.244 33.1 -79.7 82.1 149.8 28.3 14.7 10.2 108 108 A E H > S+ 0 0 69 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.900 128.4 50.3 -52.0 -49.1 25.3 12.6 9.7 109 109 A T H > S+ 0 0 119 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.906 109.4 51.6 -60.0 -42.2 23.3 15.4 8.1 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-0.9 1,-0.2 4,-0.3 0.945 112.7 43.7 -61.2 -51.7 26.0 16.2 5.7 111 111 A V H >< S+ 0 0 6 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.906 107.6 59.7 -62.4 -40.0 26.4 12.6 4.5 112 112 A A H 3< S+ 0 0 12 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.756 94.0 67.7 -62.0 -20.0 22.7 12.1 4.4 113 113 A G T << S+ 0 0 52 -4,-0.9 2,-2.1 -3,-0.9 -1,-0.3 0.698 74.6 87.8 -75.3 -14.6 22.5 14.9 1.9 114 114 A F <> + 0 0 51 -3,-2.1 4,-2.8 -4,-0.3 5,-0.2 -0.322 54.6 160.8 -81.8 59.9 24.4 12.9 -0.8 115 115 A T H > + 0 0 71 -2,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.872 67.0 44.3 -49.0 -57.6 21.2 11.4 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.891 114.6 48.5 -59.3 -42.5 22.3 10.3 -5.4 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 108.3 55.8 -65.2 -36.7 25.6 8.8 -4.2 118 118 A L H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.917 106.6 49.6 -60.9 -42.8 23.8 7.0 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.940 110.9 50.2 -63.3 -42.7 21.5 5.3 -4.0 120 120 A M H <>S+ 0 0 23 -4,-2.1 5,-2.3 2,-0.2 4,-0.4 0.877 110.0 49.6 -65.9 -38.5 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 5 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.942 110.0 51.6 -65.7 -41.2 26.4 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.876 110.4 47.7 -62.3 -35.7 23.3 0.9 -2.2 123 123 A Q T 3<5S- 0 0 103 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.465 112.9-120.7 -83.8 -0.4 23.0 -0.5 -5.7 124 124 A K T < 5 + 0 0 98 -3,-1.5 2,-1.3 -4,-0.4 -3,-0.2 0.808 60.9 148.5 67.0 32.3 26.7 -1.4 -5.7 125 125 A R >< + 0 0 112 -5,-2.3 4,-2.8 1,-0.2 5,-0.2 -0.647 20.5 175.4 -96.8 74.8 27.5 0.7 -8.8 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.872 69.7 43.2 -48.3 -55.9 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 115.9 49.1 -66.3 -39.1 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 110.2 49.4 -68.6 -41.9 29.6 5.4 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.907 108.6 56.0 -60.0 -40.6 29.2 6.4 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.891 107.5 47.4 -61.8 -36.3 32.9 7.3 -7.2 131 131 A V H < S+ 0 0 95 -4,-1.8 4,-0.5 1,-0.2 3,-0.3 0.930 113.4 47.8 -71.8 -41.5 32.4 9.7 -10.0 132 132 A N H >< S+ 0 0 33 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.918 106.5 56.2 -66.1 -42.7 29.4 11.3 -8.4 133 133 A L H 3< S+ 0 0 11 -4,-3.4 6,-0.3 1,-0.3 -1,-0.2 0.834 99.9 62.0 -59.1 -27.4 31.0 11.7 -5.0 134 134 A A T 3< S+ 0 0 29 -4,-1.0 2,-1.6 -3,-0.3 -1,-0.3 0.691 85.1 78.8 -73.9 -13.4 33.8 13.7 -6.6 135 135 A K S < S+ 0 0 148 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 -0.560 80.9 92.7 -91.9 68.9 31.4 16.3 -7.7 136 136 A S S > S- 0 0 17 -2,-1.6 4,-1.8 1,-0.1 5,-0.2 -0.995 84.5-114.5-156.4 158.6 31.2 18.0 -4.4 137 137 A R H > S+ 0 0 140 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.879 114.1 65.1 -61.5 -39.3 32.6 20.7 -2.2 138 138 A W H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.942 105.8 42.3 -46.7 -52.3 33.9 18.0 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 114.3 49.8 -65.9 -40.0 36.2 16.7 -2.7 140 140 A N H < S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.6 43.3 -69.7 -33.4 37.3 20.1 -3.9 141 141 A Q H < S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.853 131.7 19.6 -80.4 -40.7 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.580 73.5 162.6-131.1 72.7 39.9 18.2 0.9 143 143 A P H > + 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.822 69.4 51.4 -61.9 -39.2 40.9 16.3 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.943 116.1 40.2 -70.4 -41.1 43.5 13.9 -0.8 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.960 115.5 50.5 -68.3 -49.9 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.931 109.4 53.5 -53.2 -46.4 38.2 12.5 -0.2 147 147 A K H X S+ 0 0 86 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 108.0 50.2 -56.3 -41.7 40.2 10.5 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.939 114.4 43.2 -62.2 -43.6 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.915 113.8 51.1 -68.8 -41.0 37.7 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.874 108.8 50.7 -64.1 -39.7 36.4 7.4 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.886 106.5 56.6 -65.7 -34.6 38.9 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.921 109.9 43.8 -62.8 -44.0 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 114.5 51.2 -69.6 -33.9 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 101 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.930 124.1 24.3 -66.6 -45.7 35.4 2.0 -5.4 155 155 A T H < S- 0 0 48 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.691 86.9-135.1 -96.1 -26.4 37.6 -1.0 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.692 74.1 94.2 75.1 17.8 36.4 -2.4 -1.3 157 157 A T S S- 0 0 46 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.794 82.4-114.7-131.1-179.3 40.0 -2.7 -0.1 158 158 A W S >> S+ 0 0 40 -2,-0.2 3,-2.3 1,-0.2 4,-0.8 0.111 70.5 122.9-101.9 19.6 42.3 -0.6 2.0 159 159 A D G >4 + 0 0 101 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.805 67.3 60.8 -54.9 -28.3 44.9 0.0 -0.7 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.656 108.2 44.8 -74.6 -15.6 44.6 3.8 -0.4 161 161 A Y G <4 0 0 19 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.480 360.0 360.0-105.5 -3.6 45.7 3.6 3.2 162 162 A K << 0 0 168 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.867 360.0 360.0 -99.4 360.0 48.5 1.2 2.7