==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-06 2NTG . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR Z.GUO,D.CASCIO,K.HIDEG,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 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 82 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.8 16.7 -1.7 23.0 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.923 360.0 -81.6-153.0 175.5 20.0 -0.8 21.2 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.878 126.0 51.0 -57.4 -38.4 22.1 2.4 20.7 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 113.4 43.3 -66.3 -45.8 19.9 3.6 17.8 5 5 A E H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.874 114.6 52.5 -65.8 -33.8 16.7 3.2 19.7 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.951 113.1 41.2 -66.4 -53.8 18.3 4.8 22.8 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.855 109.5 60.0 -66.7 -31.6 19.6 7.9 21.0 8 8 A R H X S+ 0 0 108 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.912 108.8 45.4 -61.4 -38.8 16.3 8.2 19.0 9 9 A I H < S+ 0 0 46 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.957 117.5 42.8 -65.4 -46.4 14.6 8.5 22.4 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.831 124.7 33.1 -73.7 -29.2 17.1 11.0 23.7 11 11 A E H < S- 0 0 39 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.691 92.6-151.6-102.3 -20.3 17.4 13.1 20.6 12 12 A G < - 0 0 23 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 -0.178 23.0 -89.2 75.2-173.2 13.9 13.0 19.1 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.912 45.6 165.2-141.0 114.7 13.2 13.3 15.3 14 14 A R E -A 28 0A 146 14,-1.9 14,-2.5 -2,-0.4 4,-0.1 -1.000 21.6-161.5-132.1 132.9 12.6 16.7 13.7 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.504 73.0 63.6 -95.5 -3.3 12.7 17.2 9.9 16 16 A K E S-C 57 0B 143 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.910 101.4 -86.6-119.7 147.4 13.2 21.0 9.9 17 17 A I E + 0 0 32 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.242 58.5 167.5 -53.3 134.9 16.2 22.9 11.2 18 18 A Y E -A 26 0A 28 8,-2.6 8,-2.9 -4,-0.1 2,-0.4 -0.904 38.1-100.3-141.9 164.8 15.7 23.6 14.9 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.807 36.0-139.3 -94.6 134.0 17.8 24.8 17.8 20 20 A D > - 0 0 45 4,-2.9 3,-2.1 -2,-0.4 -1,-0.1 0.034 42.2 -75.8 -75.2-169.3 19.1 22.1 20.2 21 21 A T T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.760 135.2 49.1 -67.0 -22.9 19.3 22.4 24.0 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.345 122.8-103.8 -93.7 4.2 22.4 24.7 23.7 23 23 A G S < S+ 0 0 39 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.602 76.2 138.6 85.1 13.4 20.7 26.9 21.1 24 24 A Y - 0 0 70 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.779 61.9-101.5-101.4 140.2 22.6 25.5 18.1 25 25 A Y E +A 19 0A 34 11,-0.4 8,-2.8 9,-0.4 9,-1.4 -0.358 54.4 160.5 -64.4 130.9 21.1 24.7 14.7 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.6 6,-0.3 2,-0.3 -0.857 18.6-167.9-144.5 162.5 20.4 21.0 14.4 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.6 -2,-0.3 2,-0.2 -0.973 51.0 7.4-153.0 164.8 18.2 18.7 12.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.9 -2,-0.3 2,-1.0 -0.408 122.8 -8.8 73.5-133.8 17.1 15.1 12.2 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.692 129.4 -50.1-103.4 74.4 17.9 12.9 15.2 30 30 A G T 4 S+ 0 0 13 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.845 83.4 162.9 67.6 28.9 20.3 15.2 17.0 31 31 A H E < -B 27 0A 31 -4,-2.6 -4,-1.9 -20,-0.1 -1,-0.2 -0.748 30.9-144.3 -85.1 105.4 22.4 16.1 14.0 32 32 A L E -B 26 0A 76 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.465 18.4-176.4 -62.8 127.6 24.3 19.3 14.9 33 33 A L - 0 0 14 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.852 57.8 -35.6 -90.8 -47.0 24.8 21.5 11.9 34 34 A T - 0 0 25 -9,-1.4 -1,-0.4 2,-0.1 -9,-0.4 -0.971 33.6-129.7-169.6 157.5 26.9 24.3 13.3 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.390 74.6 117.9 -96.3 -1.9 27.4 26.5 16.4 36 36 A S - 0 0 39 1,-0.2 -11,-0.4 2,-0.1 -2,-0.1 -0.307 67.7-138.3 -61.4 140.1 27.2 29.5 14.1 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.546 75.7 102.4 -79.4 3.5 24.3 31.8 15.0 38 38 A S > - 0 0 50 1,-0.2 4,-2.1 2,-0.1 3,-0.1 -0.734 59.1-159.6 -94.9 124.3 23.5 32.2 11.3 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.842 95.0 56.7 -61.1 -32.5 20.7 30.3 10.0 40 40 A N H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 105.5 51.1 -70.1 -34.6 22.1 30.6 6.4 41 41 A A H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 110.0 50.1 -66.5 -39.5 25.3 29.0 7.6 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.916 108.9 51.5 -62.5 -40.8 23.3 26.2 9.1 43 43 A K H X S+ 0 0 46 -4,-2.6 4,-2.6 1,-0.2 11,-0.3 0.903 108.9 51.0 -65.1 -37.6 21.4 25.7 5.8 44 44 A S H X S+ 0 0 73 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.928 109.7 49.8 -63.8 -42.0 24.7 25.6 3.9 45 45 A E H X S+ 0 0 65 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 111.3 50.2 -59.6 -41.7 26.0 22.9 6.3 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.937 109.5 49.6 -63.3 -43.5 22.7 20.9 5.8 47 47 A D H X>S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 5,-1.0 0.914 112.4 48.1 -64.9 -42.5 23.0 21.1 2.0 48 48 A K H <5S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 113.0 49.3 -60.1 -40.9 26.6 19.9 2.1 49 49 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.878 119.3 35.1 -70.0 -37.1 25.6 17.1 4.5 50 50 A I H <5S- 0 0 35 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.687 103.7-124.8 -89.2 -23.1 22.7 15.8 2.4 51 51 A G T <5S+ 0 0 68 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.745 77.9 74.1 85.0 22.7 24.2 16.5 -1.0 52 52 A R S - 0 0 15 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.683 34.9-145.0 -95.8 -26.7 17.3 21.6 0.9 55 55 A N T 3 S- 0 0 108 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.907 74.6 -52.4 40.7 45.2 16.3 25.0 2.3 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.435 114.0 93.5 90.7 0.8 16.1 23.6 5.8 57 57 A V B < -C 16 0B 67 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.993 44.4-179.4-130.1 138.2 13.8 20.5 5.5 58 58 A I - 0 0 4 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.823 28.0-104.7-128.4 168.2 14.8 16.8 5.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.433 32.7-110.3 -87.7 163.9 13.0 13.5 4.7 60 60 A K H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 121.2 53.1 -57.6 -41.9 12.9 10.8 7.4 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 109.5 48.7 -62.7 -39.8 15.1 8.6 5.3 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.927 110.1 51.3 -66.7 -41.9 17.7 11.5 5.1 63 63 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -34,-0.4 0.918 110.8 49.1 -57.5 -41.9 17.5 12.1 8.8 64 64 A E H X S+ 0 0 76 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.838 107.1 55.9 -70.9 -29.5 18.1 8.4 9.4 65 65 A K H X S+ 0 0 133 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.943 109.1 45.0 -65.8 -47.1 21.1 8.5 7.0 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.884 112.0 54.7 -59.6 -36.8 22.8 11.3 9.0 67 67 A F H X S+ 0 0 10 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.932 106.9 48.7 -65.9 -43.5 21.9 9.4 12.2 68 68 A N H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.928 113.6 48.3 -57.7 -46.6 23.7 6.2 10.9 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.907 112.1 49.0 -60.8 -41.6 26.7 8.3 10.0 70 70 A D H X S+ 0 0 33 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.865 111.1 47.8 -70.6 -35.3 26.7 10.0 13.4 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.949 113.6 48.5 -67.5 -47.0 26.5 6.8 15.4 72 72 A D H X S+ 0 0 99 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.932 111.4 51.2 -54.5 -47.4 29.3 5.3 13.3 73 73 A A H X S+ 0 0 62 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.891 107.8 51.6 -62.2 -37.5 31.3 8.5 13.8 74 74 A A H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.936 112.3 46.3 -66.2 -43.3 30.9 8.4 17.6 75 75 A V H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.949 114.1 47.0 -63.0 -47.1 32.1 4.7 17.7 76 76 A R H X S+ 0 0 128 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.893 110.6 53.6 -67.1 -32.3 35.0 5.4 15.5 77 77 A G H X S+ 0 0 10 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.923 109.3 49.0 -66.2 -39.8 35.9 8.5 17.6 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 7,-0.5 0.967 111.9 47.8 -59.1 -49.8 35.8 6.4 20.7 79 79 A L H 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 111.7 50.3 -70.9 -18.9 38.1 3.8 19.2 80 80 A R H 3< S+ 0 0 188 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.469 94.5 89.8 -87.9 -9.0 40.5 6.4 17.9 81 81 A N S+ 0 0 134 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.838 120.1 39.0 -88.4 -37.3 41.4 7.9 26.8 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.8 -6,-0.2 3,-0.2 0.854 103.3 66.3 -85.6 -36.9 38.1 6.5 25.5 85 85 A K H X S+ 0 0 89 -4,-2.8 4,-3.1 -7,-0.5 5,-0.3 0.916 100.4 48.2 -54.3 -52.6 39.1 3.2 23.8 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.877 114.1 48.6 -59.3 -33.4 40.3 1.4 26.9 87 87 A V H X S+ 0 0 1 -4,-0.6 4,-0.8 -3,-0.2 3,-0.4 0.962 111.9 48.0 -68.8 -50.5 37.1 2.3 28.7 88 88 A Y H >< S+ 0 0 37 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.933 111.4 50.9 -51.9 -49.8 34.9 1.2 25.8 89 89 A D H 3< S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.0 54.9 -60.8 -31.4 36.8 -2.1 25.5 90 90 A S H 3< S+ 0 0 36 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.665 97.2 86.8 -76.1 -14.6 36.3 -2.7 29.3 91 91 A L S << S- 0 0 6 -3,-1.5 2,-0.1 -4,-0.8 31,-0.0 -0.505 76.6-116.7 -94.2 155.0 32.5 -2.3 29.2 92 92 A D > - 0 0 53 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.273 44.9 -95.0 -68.9 166.4 29.6 -4.7 28.5 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.834 122.7 51.1 -60.9 -33.7 27.4 -3.9 25.4 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.7 62,-0.2 -1,-0.2 0.940 113.7 43.5 -70.8 -45.5 24.7 -2.0 27.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.866 107.7 60.3 -69.3 -30.1 27.3 0.3 29.1 96 96 A R H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.925 102.8 52.7 -60.0 -43.2 29.1 0.7 25.7 97 97 A A H X S+ 0 0 5 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.890 105.9 53.9 -57.0 -43.0 25.9 2.2 24.4 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.916 109.4 47.5 -58.2 -40.2 25.8 4.7 27.3 99 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 110.8 50.8 -69.0 -39.8 29.4 5.8 26.4 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.910 107.9 55.4 -60.2 -42.3 28.4 6.1 22.7 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.948 107.8 47.0 -57.0 -49.3 25.4 8.2 23.8 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.4 0.912 113.0 48.3 -62.2 -40.6 27.6 10.7 25.7 103 103 A V H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 109.3 54.1 -67.3 -38.1 30.1 11.0 22.8 104 104 A F H < S+ 0 0 27 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.932 116.0 39.2 -56.8 -43.0 27.2 11.6 20.4 105 105 A Q H < S+ 0 0 52 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 134.5 15.2 -77.2 -41.3 25.9 14.4 22.5 106 106 A M H < S- 0 0 57 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.503 104.5-112.6-120.3 -1.8 29.1 16.1 23.6 107 107 A G X - 0 0 30 -4,-2.1 4,-2.4 -5,-0.4 5,-0.3 0.039 33.6 -75.8 87.3 159.9 31.9 14.9 21.3 108 108 A E H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 129.1 47.0 -61.2 -51.8 35.0 12.8 21.7 109 109 A T H > S+ 0 0 118 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.912 109.5 53.7 -57.7 -45.3 37.0 15.5 23.3 110 110 A G H >4 S+ 0 0 31 -4,-0.5 3,-0.5 1,-0.2 4,-0.3 0.947 114.4 40.0 -55.3 -47.7 34.2 16.5 25.7 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.898 107.6 61.0 -74.0 -35.8 33.8 12.9 27.1 112 112 A A H 3< S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.779 95.7 65.4 -64.0 -19.8 37.5 12.1 27.1 113 113 A G T << S+ 0 0 62 -4,-1.1 2,-2.2 -3,-0.5 3,-0.3 0.652 75.6 89.4 -76.8 -10.9 37.9 15.0 29.6 114 114 A F <> + 0 0 43 -3,-2.1 4,-2.8 -4,-0.3 5,-0.2 -0.240 53.4 156.6 -80.4 59.0 35.8 13.1 32.2 115 115 A C H > + 0 0 85 -2,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.873 65.9 45.8 -57.8 -48.0 38.9 11.5 33.6 116 116 A N H > S+ 0 0 104 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.917 115.7 46.7 -65.4 -40.2 37.7 10.6 37.1 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.907 111.5 51.3 -64.4 -42.9 34.4 9.2 35.8 118 118 A L H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.891 108.7 52.0 -62.3 -39.3 36.1 7.2 33.1 119 119 A R H X S+ 0 0 160 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.912 109.3 49.0 -66.0 -43.5 38.5 5.7 35.7 120 120 A M H <>S+ 0 0 40 -4,-2.0 5,-2.4 1,-0.2 4,-0.4 0.869 111.5 50.3 -65.1 -34.7 35.6 4.7 38.0 121 121 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.3 2,-0.2 -2,-0.2 0.921 109.3 49.8 -66.8 -41.6 33.9 3.1 35.0 122 122 A Q H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.863 111.4 50.8 -62.2 -32.7 37.0 1.2 34.0 123 123 A Q T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.540 110.7-127.2 -79.2 -9.2 37.2 0.0 37.7 124 124 A K T < 5 + 0 0 94 -3,-1.3 2,-1.1 -4,-0.4 -3,-0.2 0.831 60.4 145.3 61.2 37.1 33.6 -1.1 37.5 125 125 A R >< + 0 0 121 -5,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.759 23.8 174.9 -97.6 78.9 32.7 1.0 40.6 126 126 A W H > + 0 0 49 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.866 67.6 45.9 -68.5 -40.5 29.3 1.7 39.2 127 127 A D H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 115.9 47.1 -68.8 -38.9 27.6 3.6 42.0 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 111.3 51.8 -64.7 -41.6 30.7 5.8 42.5 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.918 108.8 51.6 -61.3 -41.7 31.0 6.4 38.8 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.910 109.3 48.6 -63.4 -43.4 27.3 7.5 38.7 131 131 A V H < S+ 0 0 88 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.928 114.5 47.2 -61.4 -42.0 27.7 9.9 41.5 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.879 105.5 57.2 -71.4 -36.3 30.8 11.4 39.8 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.810 100.7 59.3 -63.1 -31.0 29.2 11.7 36.4 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.9 -3,-0.3 -1,-0.2 0.645 84.4 81.5 -73.4 -15.3 26.4 13.9 37.9 135 135 A K S < S+ 0 0 152 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.459 81.5 97.3 -86.4 66.5 29.0 16.5 39.0 136 136 A S S > S- 0 0 16 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.996 85.6-117.5-154.7 151.9 29.1 18.0 35.5 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.915 115.3 61.8 -55.3 -42.5 27.8 20.8 33.4 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.943 105.6 42.7 -48.6 -54.0 26.3 18.0 31.3 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.929 114.8 50.4 -61.3 -48.6 24.1 16.7 34.0 140 140 A N H < S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 115.2 42.2 -61.4 -39.1 23.0 20.1 35.2 141 141 A Q H < S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 132.9 19.7 -81.9 -32.0 22.0 21.3 31.6 142 142 A T S X S+ 0 0 19 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 -0.645 75.1 159.8-131.9 71.8 20.3 18.1 30.5 143 143 A P H > S+ 0 0 44 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.869 70.2 50.7 -68.2 -37.2 19.5 16.3 33.8 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.925 116.3 42.1 -69.3 -39.9 16.7 14.0 32.6 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 115.3 50.0 -67.9 -44.5 18.8 12.7 29.7 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.909 107.6 54.9 -61.1 -42.3 21.9 12.5 31.9 147 147 A K H X S+ 0 0 79 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.898 108.4 49.1 -56.6 -41.8 20.0 10.6 34.5 148 148 A R H X S+ 0 0 55 -4,-1.7 4,-1.6 2,-0.2 12,-0.2 0.935 113.9 44.5 -63.4 -44.9 19.0 8.0 31.9 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.911 114.4 50.0 -64.3 -43.8 22.5 7.6 30.7 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.927 108.4 52.0 -65.9 -40.1 23.9 7.4 34.3 151 151 A T H X S+ 0 0 34 -4,-2.9 4,-2.6 1,-0.2 6,-0.4 0.858 107.7 54.2 -60.7 -33.6 21.3 4.8 35.3 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.928 112.0 42.8 -65.0 -46.3 22.5 2.8 32.3 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.865 115.0 51.4 -64.0 -35.7 26.1 3.0 33.5 154 154 A R H < S+ 0 0 105 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.933 125.7 21.3 -70.6 -38.9 25.0 2.3 37.1 155 155 A T H < S- 0 0 39 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.634 84.8-133.5-106.6 -19.7 23.0 -0.8 36.3 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.774 75.2 104.6 65.9 20.8 24.1 -2.2 33.0 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.798 79.5-123.2-123.9 169.7 20.4 -2.5 32.1 158 158 A W >> + 0 0 59 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 0.074 69.6 124.2 -93.9 20.3 18.0 -0.5 29.8 159 159 A D G >4 + 0 0 116 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.825 67.4 57.7 -58.0 -29.9 15.6 0.2 32.7 160 160 A A G 34 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.684 108.9 45.5 -75.9 -12.8 15.8 3.9 32.2 161 161 A Y G X4 S+ 0 0 1 -3,-2.2 3,-1.5 -13,-0.1 -1,-0.2 0.338 86.5 110.6-106.1 -1.3 14.5 3.6 28.6 162 162 A K T << S+ 0 0 155 -3,-0.8 -3,-0.0 -4,-0.6 0, 0.0 -0.596 83.3 21.9 -79.3 141.0 11.7 1.1 29.3 163 163 A N T 3 0 0 152 -2,-0.2 -1,-0.3 1,-0.0 -4,-0.0 0.475 360.0 360.0 72.4 6.7 8.2 2.6 28.9 164 164 A L < 0 0 125 -3,-1.5 -2,-0.2 0, 0.0 -3,-0.0 0.462 360.0 360.0-102.8 360.0 9.9 5.2 26.7