==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-08 3C81 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR B.H.M.MOOERS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8818.0 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 . 7 4.3 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 64 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 144.4 43.5 -2.0 9.0 2 2 A N > - 0 0 68 95,-0.0 4,-2.9 92,-0.0 3,-0.2 -0.911 360.0 -86.5-147.9 173.4 40.4 -0.8 10.9 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.783 123.5 51.7 -55.9 -36.3 38.3 2.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 113.0 44.2 -68.4 -43.0 40.5 3.7 14.2 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.909 114.2 52.5 -66.8 -40.5 43.7 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.3 0.944 114.2 39.3 -62.0 -53.7 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.774 109.3 62.0 -68.6 -27.0 40.7 7.9 10.9 8 8 A R H X S+ 0 0 105 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.875 107.2 45.8 -66.5 -31.4 44.0 8.2 12.8 9 9 A I H < S+ 0 0 59 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.930 116.2 44.2 -75.6 -42.0 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.814 123.3 32.9 -71.9 -34.8 43.2 11.1 8.1 11 11 A E H < S- 0 0 44 -4,-2.4 19,-0.4 1,-0.2 -1,-0.2 0.659 90.7-152.1 -96.5 -21.7 42.8 13.3 11.2 12 12 A G < - 0 0 27 -4,-1.2 2,-0.3 -5,-0.3 -1,-0.2 -0.258 24.5 -92.3 73.1-170.1 46.3 13.2 12.7 13 13 A L + 0 0 50 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.931 41.9 172.0-146.0 120.1 46.7 13.7 16.5 14 14 A R E -A 28 0A 130 14,-1.6 14,-2.5 -2,-0.3 4,-0.1 -0.998 20.0-161.6-133.4 131.1 47.3 17.0 18.3 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.485 75.2 67.1 -89.6 -7.2 47.3 17.5 22.0 16 16 A K E S-C 57 0B 115 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.868 100.6 -89.7-111.2 149.2 46.9 21.3 21.9 17 17 A I E + 0 0 7 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.277 58.1 171.0 -53.7 141.4 43.9 23.1 20.6 18 18 A Y E -A 26 0A 24 8,-2.8 8,-2.9 -4,-0.1 2,-0.5 -0.905 35.7-102.5-148.5 169.6 44.2 23.8 16.9 19 19 A K E -A 25 0A 130 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.857 33.4-143.3-100.8 131.7 42.2 25.0 13.8 20 20 A D > - 0 0 49 4,-2.4 3,-2.0 -2,-0.5 -1,-0.0 -0.116 44.0 -77.7 -81.1-174.4 41.0 22.4 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 135.1 50.6 -60.1 -22.9 40.9 22.9 7.6 22 22 A E T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.464 122.6-105.2 -90.6 -3.6 37.7 25.1 8.0 23 23 A G S < S+ 0 0 35 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.644 74.1 142.6 87.9 19.5 39.4 27.2 10.7 24 24 A Y - 0 0 77 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.735 59.3-102.2 -96.9 144.1 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 33 9,-0.8 8,-3.0 11,-0.4 9,-1.4 -0.408 55.1 158.0 -66.1 126.2 38.7 24.9 17.0 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-2.8 6,-0.3 2,-0.3 -0.917 20.1-164.4-143.6 164.8 39.5 21.2 17.3 27 27 A I E > - B 0 31A 0 4,-1.9 4,-2.0 -2,-0.3 2,-0.2 -0.990 50.4 -3.7-153.7 159.9 41.7 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.9 -0.415 123.2 -0.1 67.2-125.8 43.1 15.4 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.602 128.1 -56.5-103.0 71.0 42.0 13.1 16.8 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.738 83.6 161.2 70.3 24.6 39.7 15.4 14.8 31 31 A H E < -B 27 0A 29 -4,-2.0 -4,-1.9 -20,-0.1 -1,-0.2 -0.673 32.9-142.3 -82.2 102.7 37.5 16.2 17.8 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.373 21.2-179.3 -65.3 131.8 35.6 19.4 16.9 33 33 A L E - 0 0 13 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.853 59.0 -25.5 -99.5 -45.6 35.2 21.7 19.9 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.975 33.6-137.5-166.4 154.6 33.3 24.6 18.5 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.544 73.5 111.9 -92.1 -6.6 32.5 26.6 15.4 36 36 A S S S- 0 0 47 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.391 73.0-132.9 -69.0 142.7 32.8 29.9 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.484 78.5 105.6 -72.9 -0.9 35.8 32.1 16.5 38 38 A S > - 0 0 42 1,-0.1 4,-1.5 -13,-0.0 -2,-0.1 -0.726 56.4-162.6 -90.5 126.1 36.4 32.4 20.2 39 39 A L H > S+ 0 0 76 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.787 94.5 55.9 -72.9 -27.4 39.3 30.5 21.8 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 105.5 51.1 -70.6 -43.6 37.7 30.9 25.2 41 41 A A H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 111.9 49.6 -55.7 -40.0 34.6 29.2 24.0 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.945 110.7 46.7 -64.4 -49.7 36.9 26.5 22.7 43 43 A K H X S+ 0 0 61 -4,-2.9 4,-2.4 2,-0.2 11,-0.3 0.853 112.4 52.0 -63.1 -33.3 38.7 26.1 26.0 44 44 A S H X S+ 0 0 72 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.946 109.9 47.4 -68.2 -44.6 35.4 26.1 27.8 45 45 A E H X S+ 0 0 65 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.934 111.3 54.4 -60.9 -40.7 34.1 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.940 107.7 46.5 -59.0 -49.7 37.4 21.5 26.1 47 47 A D H X>S+ 0 0 34 -4,-2.4 4,-3.1 1,-0.2 5,-1.3 0.917 113.5 50.4 -59.7 -41.7 37.2 21.6 29.9 48 48 A K H <5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 110.7 48.5 -62.2 -41.9 33.5 20.4 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.868 122.0 34.3 -66.4 -41.8 34.3 17.5 27.4 50 50 A I H <5S- 0 0 37 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.699 103.0-125.4 -88.0 -30.3 37.2 16.3 29.5 51 51 A G T <5S+ 0 0 66 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.769 77.1 68.0 89.0 26.8 35.9 17.1 32.9 52 52 A R S - 0 0 11 -2,-0.8 3,-1.1 -11,-0.3 -1,-0.2 0.712 33.5-144.7 -96.5 -28.6 42.8 21.8 30.6 55 55 A N T 3 S- 0 0 121 1,-0.3 3,-0.1 -12,-0.2 -2,-0.1 0.796 75.2 -54.8 59.1 34.1 44.0 25.2 29.6 56 56 A G T 3 S+ 0 0 3 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.556 118.6 98.8 83.1 11.5 43.8 24.0 26.0 57 57 A V B < -C 16 0B 69 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.979 45.1-178.8-132.9 142.4 46.0 20.9 26.4 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.911 26.4-108.7-135.7 163.5 45.1 17.2 26.8 59 59 A T > - 0 0 64 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.484 33.5-108.6 -88.0 165.1 46.9 13.9 27.3 60 60 A K H > S+ 0 0 119 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.830 121.8 52.5 -62.6 -32.7 47.1 11.1 24.7 61 61 A D H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.887 107.6 51.2 -71.0 -34.6 44.8 9.1 26.8 62 62 A E H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 110.4 49.7 -67.5 -42.1 42.3 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -34,-0.4 0.884 110.5 50.3 -58.8 -44.0 42.5 12.2 23.1 64 64 A E H X S+ 0 0 71 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.853 108.0 53.1 -67.0 -33.0 42.0 8.5 22.7 65 65 A K H X S+ 0 0 139 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.913 109.7 47.0 -67.0 -45.9 39.0 8.6 24.9 66 66 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.879 112.2 52.8 -61.2 -39.8 37.3 11.4 22.9 67 67 A F H X S+ 0 0 14 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.941 106.6 50.1 -63.2 -45.5 38.2 9.4 19.8 68 68 A N H X S+ 0 0 90 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.948 113.4 47.8 -58.1 -42.3 36.5 6.3 21.2 69 69 A Q H X S+ 0 0 102 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.876 111.4 50.4 -63.4 -40.9 33.4 8.4 22.0 70 70 A D H X S+ 0 0 38 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.872 110.6 46.9 -70.1 -38.3 33.4 10.0 18.6 71 71 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.907 113.5 49.2 -70.5 -41.4 33.6 6.8 16.6 72 72 A D H X S+ 0 0 107 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.957 110.9 51.0 -60.3 -46.7 30.9 5.2 18.7 73 73 A A H X S+ 0 0 54 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.913 109.6 50.5 -56.8 -44.6 28.7 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.935 112.8 44.2 -61.3 -51.5 29.2 8.1 14.5 75 75 A V H X S+ 0 0 35 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.951 116.2 46.8 -59.2 -49.0 28.3 4.4 14.1 76 76 A R H X S+ 0 0 51 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.950 112.0 52.6 -59.4 -42.1 25.3 4.8 16.4 77 77 A G H X S+ 0 0 2 -4,-3.3 4,-1.0 -5,-0.3 3,-0.4 0.917 109.6 47.7 -59.4 -48.2 24.3 7.9 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 7,-0.5 0.941 110.4 52.4 -57.8 -48.3 24.5 6.1 11.2 79 79 A L H 3< S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.737 110.5 47.8 -62.0 -25.6 22.5 3.2 12.5 80 80 A R H 3< S+ 0 0 192 -4,-1.5 2,-0.4 -3,-0.4 -1,-0.3 0.605 91.8 99.5 -87.0 -18.7 19.8 5.5 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.1 3,-0.3 0.874 100.3 67.9 -88.4 -42.3 22.1 6.0 6.2 85 85 A A H X S+ 0 0 16 -4,-2.7 4,-3.1 -7,-0.5 5,-0.2 0.861 99.0 51.2 -49.2 -44.8 21.3 2.7 7.9 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.925 113.1 46.0 -64.9 -38.3 20.1 0.9 4.8 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.3 -2,-0.2 0.948 113.3 49.3 -64.9 -50.6 23.2 1.9 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.933 111.0 49.4 -52.9 -49.3 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 99 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 107.9 56.2 -62.0 -32.8 23.6 -2.5 6.2 90 90 A S H 3< S+ 0 0 38 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.674 95.4 86.8 -71.2 -19.5 24.1 -3.0 2.4 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.0 -4,-0.9 31,-0.0 -0.519 75.0-120.4 -88.3 154.7 27.8 -2.6 2.5 92 92 A D > - 0 0 57 -2,-0.2 4,-1.5 1,-0.1 -1,-0.1 -0.264 45.9 -89.2 -75.7 174.5 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.818 121.3 45.5 -56.5 -47.0 33.1 -4.3 6.0 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.3 1,-0.2 3,-0.5 0.926 113.8 49.1 -67.0 -44.2 35.8 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.812 103.1 62.5 -67.2 -25.7 33.3 0.0 2.6 96 96 A R H X S+ 0 0 78 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.890 101.3 53.3 -65.4 -35.9 31.4 0.4 5.9 97 97 A C H X S+ 0 0 17 -4,-1.1 4,-2.6 -3,-0.5 -1,-0.2 0.865 103.3 55.2 -66.3 -39.1 34.5 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.892 109.4 48.1 -61.7 -35.9 34.6 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.917 109.8 51.2 -71.5 -39.0 31.0 5.6 5.2 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.950 106.3 57.0 -61.0 -43.1 31.9 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.869 107.1 47.2 -53.1 -45.1 34.8 8.2 7.8 102 102 A M H X S+ 0 0 3 -4,-1.6 4,-3.0 1,-0.2 5,-0.4 0.906 112.0 49.3 -67.0 -41.9 32.6 10.6 5.9 103 103 A V H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.881 109.2 52.8 -67.7 -33.2 30.1 10.8 8.8 104 104 A F H < S+ 0 0 33 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.919 117.5 38.6 -66.9 -40.3 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.904 133.0 18.5 -74.9 -47.7 34.2 14.3 9.1 106 106 A M H X S- 0 0 56 -4,-3.0 4,-0.6 1,-0.2 -3,-0.2 0.540 104.1-113.8-107.3 -12.4 31.0 16.0 7.8 107 107 A G H X - 0 0 27 -4,-1.8 4,-2.2 -5,-0.4 5,-0.2 -0.015 34.0 -80.6 89.9 158.4 28.3 14.8 10.2 108 108 A E H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.877 129.1 54.5 -66.2 -30.7 25.3 12.6 9.6 109 109 A T H > S+ 0 0 115 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.931 108.3 47.9 -65.8 -48.8 23.4 15.5 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-1.2 1,-0.2 4,-0.3 0.949 113.9 45.2 -59.8 -50.4 26.0 16.3 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.866 104.6 62.5 -65.3 -33.3 26.5 12.8 4.4 112 112 A A H 3< S+ 0 0 12 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.767 93.8 66.1 -64.3 -19.6 22.7 12.3 4.2 113 113 A G T << S+ 0 0 58 -3,-1.2 2,-1.0 -4,-0.9 3,-0.3 0.586 77.0 84.6 -76.3 -12.3 22.7 15.1 1.6 114 114 A F <> + 0 0 41 -3,-2.0 4,-2.4 -4,-0.3 3,-0.3 -0.198 55.6 153.7 -82.2 45.9 24.7 12.9 -0.8 115 115 A T H > + 0 0 80 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.848 66.8 45.6 -41.2 -53.6 21.4 11.3 -1.9 116 116 A N H > S+ 0 0 90 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.902 112.7 48.1 -65.0 -42.3 22.6 10.3 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.879 110.1 55.0 -65.2 -38.0 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.898 105.6 50.3 -61.9 -43.3 24.1 6.9 -1.6 119 119 A R H X S+ 0 0 113 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.952 111.4 50.6 -60.7 -43.8 21.7 5.3 -4.1 120 120 A M H <>S+ 0 0 37 -4,-2.0 5,-2.2 1,-0.2 4,-0.3 0.901 110.3 47.4 -60.1 -46.3 24.7 4.3 -6.2 121 121 A L H ><5S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.933 110.5 52.9 -61.1 -45.0 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.889 110.8 48.3 -56.6 -39.2 23.3 0.9 -2.3 123 123 A Q T 3<5S- 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.466 112.9-121.9 -80.4 -4.5 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 100 -3,-2.0 2,-1.2 -4,-0.3 -3,-0.2 0.751 62.1 145.1 65.8 32.9 26.8 -1.5 -5.8 125 125 A R >< + 0 0 111 -5,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.697 21.8 174.4 -98.3 74.9 27.7 0.7 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.864 69.5 44.7 -55.0 -47.9 31.2 1.5 -7.5 127 127 A D H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 114.5 48.8 -67.0 -44.4 32.7 3.4 -10.4 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.918 111.2 50.2 -64.5 -39.0 29.6 5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.7 1,-0.2 -1,-0.2 0.899 106.9 55.7 -64.3 -39.9 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 12 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.901 108.6 47.0 -61.5 -40.9 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 95 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.941 114.8 46.1 -67.7 -45.6 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.917 107.9 56.6 -60.1 -47.9 29.4 11.3 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-3.7 6,-0.3 1,-0.2 -1,-0.2 0.895 102.3 57.4 -53.3 -38.5 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 25 -4,-1.6 2,-1.9 1,-0.2 -1,-0.2 0.697 85.7 80.3 -68.5 -19.8 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.515 80.9 96.1 -87.0 71.4 31.5 16.3 -7.7 136 136 A S S > S- 0 0 18 -2,-1.9 4,-1.7 1,-0.1 5,-0.2 -0.995 85.2-115.9-154.0 158.9 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.907 114.3 64.2 -61.6 -45.1 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 8,-0.2 0.923 105.2 43.6 -43.2 -52.2 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 64 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 115.4 47.4 -65.1 -42.9 36.3 16.7 -2.7 140 140 A N H < S+ 0 0 110 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 117.5 42.3 -70.7 -32.0 37.4 20.1 -3.9 141 141 A Q H < S+ 0 0 109 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.854 131.8 19.6 -82.2 -38.5 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 -0.524 74.1 160.9-131.3 70.3 40.0 18.2 1.0 143 143 A P H > + 0 0 41 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.838 68.6 51.8 -62.2 -42.4 41.0 16.3 -2.1 144 144 A N H > S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.963 116.4 41.8 -65.2 -44.8 43.7 13.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 114.6 50.7 -62.6 -49.2 41.4 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.914 107.9 54.6 -56.0 -42.7 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 89 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.872 107.3 49.9 -57.5 -43.0 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 57 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.938 114.6 43.1 -62.5 -47.4 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 114.8 50.2 -66.4 -43.0 37.8 7.4 1.0 150 150 A I H X S+ 0 0 15 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.899 109.4 50.9 -60.8 -42.1 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 43 -4,-2.5 4,-2.2 -5,-0.2 6,-0.4 0.819 108.2 54.4 -66.2 -29.7 39.1 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.3 0.936 109.2 45.4 -69.7 -43.5 38.0 2.8 -0.7 153 153 A F H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.3 50.1 -66.1 -38.5 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 108 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.906 123.4 24.4 -65.7 -46.9 35.4 2.0 -5.3 155 155 A T H < S- 0 0 46 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.641 84.6-134.9 -95.7 -26.1 37.6 -1.0 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.2 1,-0.3 -62,-0.2 0.679 73.9 102.0 72.4 18.8 36.5 -2.4 -1.3 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.3 -0.774 79.3-121.9-125.9 173.5 40.2 -2.7 -0.3 158 158 A W S >> S+ 0 0 43 -2,-0.2 3,-2.9 1,-0.2 4,-1.2 0.216 71.3 119.5 -97.9 8.1 42.6 -0.7 1.9 159 159 A D T 34 + 0 0 110 1,-0.3 -1,-0.2 2,-0.2 -7,-0.1 0.746 68.1 61.4 -46.4 -29.4 45.1 0.1 -0.8 160 160 A A T 34 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.661 113.1 38.0 -75.5 -12.4 44.6 3.9 -0.4 161 161 A Y T X4 S+ 0 0 2 -3,-2.9 3,-1.4 -13,-0.1 -2,-0.2 0.548 89.1 103.9-113.4 -15.8 45.8 3.5 3.1 162 162 A K T 3< S+ 0 0 105 -4,-1.2 0, 0.0 1,-0.2 0, 0.0 -0.529 85.5 26.1 -72.1 137.3 48.6 1.0 2.7 163 163 A N T 3 0 0 167 -2,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.392 360.0 360.0 90.6 2.5 52.0 2.6 2.8 164 164 A L < 0 0 146 -3,-1.4 -2,-0.1 0, 0.0 -3,-0.0 0.644 360.0 360.0 -93.5 360.0 50.9 5.6 4.9