==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-03 1PQJ . 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) . 8729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 13 7.9 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 1 0 1 1 2 0 0 1 1 0 0 0 0 0 1 1 0 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.9 43.0 -1.7 8.7 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.925 360.0 -81.3-161.0 172.0 39.7 -0.6 10.5 3 3 A I H > S+ 0 0 30 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.852 125.8 49.7 -51.8 -40.6 37.6 2.6 11.2 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 114.2 42.9 -66.3 -45.7 39.8 3.7 14.0 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.879 115.3 51.5 -67.0 -38.5 43.1 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.950 114.6 40.1 -63.4 -54.4 41.5 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.861 110.2 60.6 -68.1 -29.8 40.3 7.9 10.8 8 8 A R H X S+ 0 0 106 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.908 107.9 45.2 -63.8 -35.0 43.4 8.0 12.8 9 9 A I H < S+ 0 0 55 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.5 45.2 -70.4 -42.3 45.3 8.4 9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.797 123.3 30.4 -73.2 -31.9 42.8 11.0 8.1 11 11 A E H < S- 0 0 40 -4,-2.4 19,-0.4 -5,-0.1 -1,-0.2 0.584 92.6-152.1-105.1 -17.7 42.5 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.1 -0.143 24.9 -82.9 73.0-174.7 45.9 12.9 12.8 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 45.8 168.4-139.3 115.5 46.4 13.3 16.5 14 14 A R E -A 28 0A 152 14,-1.9 14,-3.3 -2,-0.4 4,-0.1 -0.998 19.3-163.9-133.4 123.9 46.9 16.7 18.2 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.8 12,-0.2 2,-0.4 0.357 74.4 63.2 -86.1 -1.6 46.9 17.2 21.9 16 16 A K E S-C 57 0B 114 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.963 100.6 -88.2-127.6 144.5 46.4 20.8 21.8 17 17 A I E + 0 0 10 39,-2.0 2,-0.2 -2,-0.4 10,-0.2 -0.239 57.7 162.6 -52.0 131.9 43.5 22.8 20.5 18 18 A Y E -A 26 0A 27 8,-2.8 8,-2.9 -4,-0.1 2,-0.5 -0.806 39.0 -99.1-139.4 175.4 44.0 23.5 16.8 19 19 A K E -A 25 0A 120 -2,-0.2 6,-0.2 6,-0.2 13,-0.0 -0.870 34.2-137.4-107.7 137.8 41.9 24.6 13.9 20 20 A D > - 0 0 47 4,-3.4 3,-1.3 -2,-0.5 -1,-0.1 0.012 39.4 -80.2 -78.2-166.6 40.6 22.1 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.747 134.5 49.0 -66.1 -24.3 40.4 22.3 7.7 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.461 124.2-106.7 -89.9 -5.3 37.2 24.4 8.0 23 23 A G S < S+ 0 0 36 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.627 73.6 139.6 87.8 22.9 39.0 26.6 10.5 24 24 A Y - 0 0 67 1,-0.1 -4,-3.4 9,-0.0 -1,-0.3 -0.710 61.6 -96.1-103.6 155.9 37.2 25.3 13.5 25 25 A Y E +AB 19 34A 37 9,-0.7 8,-3.0 11,-0.4 9,-1.3 -0.445 57.3 155.7 -67.4 130.4 38.5 24.6 16.9 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-2.8 6,-0.3 2,-0.3 -0.917 19.5-170.4-147.3 166.8 39.4 20.9 17.3 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.2 -2,-0.3 2,-0.2 -0.980 50.8 5.6-158.6 164.4 41.6 18.6 19.3 28 28 A G E 4 S-A 14 0A 1 -14,-3.3 -14,-1.9 -2,-0.3 2,-0.8 -0.391 122.9 -4.5 64.8-125.8 42.8 15.1 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.664 127.0 -53.8-105.4 77.0 41.7 12.9 16.7 30 30 A G T 4 S+ 0 0 10 -2,-0.8 2,-1.2 -19,-0.4 -2,-0.2 0.822 82.9 161.8 65.1 30.6 39.4 15.2 14.7 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-1.4 -20,-0.1 -1,-0.2 -0.678 31.6-144.4 -91.1 105.2 37.3 16.0 17.6 32 32 A L E -B 26 0A 70 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.337 17.6-175.6 -61.1 129.2 35.4 19.1 16.7 33 33 A L E - 0 0 10 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.852 59.0 -35.0 -97.5 -38.1 34.9 21.3 19.6 34 34 A T E -B 25 0A 31 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.934 36.0-127.7-175.7 157.6 32.8 24.1 18.2 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.359 75.7 117.8 -93.6 -0.3 32.2 26.1 15.1 36 36 A S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.391 66.7-139.2 -70.0 141.7 32.5 29.3 17.2 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.618 75.1 101.5 -77.9 -10.6 35.3 31.8 16.5 38 38 A S > - 0 0 44 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.659 58.6-158.4 -81.0 118.0 35.9 32.2 20.3 39 39 A L H > S+ 0 0 62 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.875 94.9 54.7 -60.6 -36.5 38.8 30.4 21.8 40 40 A N H > S+ 0 0 127 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.952 105.9 51.4 -61.5 -44.9 37.4 30.6 25.2 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 111.5 48.3 -57.3 -41.0 34.2 29.0 24.0 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.921 110.4 50.2 -64.7 -45.0 36.2 26.2 22.5 43 43 A K H X S+ 0 0 39 -4,-3.1 4,-2.9 1,-0.2 11,-0.2 0.890 109.1 52.8 -61.5 -38.1 38.2 25.8 25.6 44 44 A S H X S+ 0 0 67 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.945 108.3 50.6 -62.8 -42.5 34.9 25.6 27.5 45 45 A E H X S+ 0 0 63 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.940 108.9 51.9 -59.4 -43.2 33.7 22.9 25.2 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.967 109.0 49.7 -56.7 -52.1 36.9 21.1 25.8 47 47 A D H X>S+ 0 0 39 -4,-2.9 4,-2.3 1,-0.2 5,-1.0 0.898 111.0 49.1 -52.8 -44.0 36.5 21.3 29.6 48 48 A K H <5S+ 0 0 141 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.9 49.9 -62.2 -39.7 32.9 20.0 29.3 49 49 A A H <5S+ 0 0 38 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 118.1 34.4 -63.5 -49.2 34.2 17.1 27.1 50 50 A I H <5S- 0 0 35 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.744 103.6-124.9 -81.5 -31.1 37.0 15.9 29.2 51 51 A G T <5S+ 0 0 66 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.799 76.8 72.3 87.9 29.8 35.3 16.6 32.5 52 52 A R S - 0 0 15 -2,-1.2 3,-0.7 -11,-0.2 -1,-0.2 0.710 39.4-139.5 -95.7 -29.3 42.3 21.8 31.0 55 55 A N T 3 S- 0 0 117 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.977 73.2 -58.1 65.9 42.6 43.4 25.0 29.5 56 56 A G T 3 S+ 0 0 1 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.516 112.1 96.4 64.2 12.6 43.4 23.5 26.0 57 57 A V B < -C 16 0B 74 -3,-0.7 2,-0.2 -41,-0.2 -41,-0.2 -0.994 46.2-179.6-130.9 134.4 45.8 20.6 26.2 58 58 A I - 0 0 6 -43,-2.8 2,-0.2 -2,-0.4 -30,-0.1 -0.763 27.3-103.2-125.8 176.5 44.8 17.0 26.8 59 59 A T > - 0 0 67 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.514 31.1-111.9 -93.8 164.1 46.5 13.6 27.1 60 60 A K H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 120.4 51.8 -57.4 -48.1 46.8 10.9 24.5 61 61 A D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 110.3 48.8 -58.3 -40.1 44.6 8.7 26.5 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.919 109.7 52.3 -64.4 -43.0 42.0 11.5 26.8 63 63 A A H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -34,-0.4 0.925 110.2 47.4 -59.9 -43.2 42.2 12.1 23.1 64 64 A E H X S+ 0 0 79 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.908 107.2 59.1 -65.5 -38.2 41.6 8.5 22.4 65 65 A K H X S+ 0 0 137 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.953 108.2 42.8 -55.9 -52.0 38.7 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.872 111.6 56.7 -65.2 -30.3 36.9 11.2 22.9 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.954 105.6 49.0 -66.9 -41.2 37.7 9.5 19.7 68 68 A N H X S+ 0 0 92 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.954 112.7 48.7 -58.5 -47.2 36.1 6.2 20.8 69 69 A Q H X S+ 0 0 96 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.903 110.7 52.5 -57.0 -42.0 33.1 8.2 21.9 70 70 A D H X S+ 0 0 36 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.884 110.6 44.3 -63.9 -42.1 33.1 9.9 18.5 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.948 114.0 50.4 -68.3 -48.7 33.2 6.8 16.4 72 72 A D H X S+ 0 0 77 -4,-2.9 4,-3.5 -5,-0.3 5,-0.2 0.944 110.3 48.7 -55.3 -50.0 30.6 5.1 18.4 73 73 A A H X S+ 0 0 45 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.846 109.4 54.1 -57.8 -36.7 28.2 8.1 18.3 74 74 A A H X S+ 0 0 13 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.938 111.8 43.5 -65.8 -45.4 28.7 8.4 14.5 75 75 A V H X S+ 0 0 29 -4,-2.4 4,-2.4 1,-0.2 3,-0.4 0.957 113.5 52.7 -61.8 -50.8 27.7 4.8 14.0 76 76 A R H X S+ 0 0 115 -4,-3.5 4,-0.8 1,-0.3 -2,-0.2 0.892 110.0 46.8 -55.3 -40.1 25.0 5.1 16.4 77 77 A G H < S+ 0 0 5 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.3 0.833 106.8 56.6 -74.9 -25.0 23.5 8.1 14.7 78 78 A I H >< S+ 0 0 0 -4,-1.7 3,-1.2 -3,-0.4 7,-0.4 0.937 107.2 51.4 -66.9 -40.2 23.8 6.5 11.3 79 79 A L H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.663 109.1 50.0 -68.2 -18.3 21.7 3.7 12.7 80 80 A R T 3< S+ 0 0 163 -4,-0.8 2,-0.8 -3,-0.2 -1,-0.3 0.306 89.6 96.8 -99.1 1.8 19.1 6.2 14.0 81 81 A N <> - 0 0 21 -3,-1.2 4,-2.9 -4,-0.3 -4,-0.0 -0.826 64.0-154.9 -97.1 115.0 18.9 7.9 10.6 82 82 A A T 4 S+ 0 0 91 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 0.790 97.1 42.7 -57.9 -28.4 15.9 6.7 8.6 83 83 A K T > S+ 0 0 106 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.862 119.0 43.9 -85.2 -32.0 17.6 7.6 5.5 84 84 A L H > S+ 0 0 1 1,-0.2 4,-2.5 -7,-0.2 5,-0.3 0.853 97.5 67.0 -77.5 -42.7 21.0 6.4 6.4 85 85 A K H X S+ 0 0 87 -4,-2.9 4,-3.4 -7,-0.4 5,-0.3 0.889 98.0 52.5 -51.1 -47.6 20.5 3.0 8.0 86 86 A P H > S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.911 110.9 49.7 -58.4 -39.3 19.3 1.2 5.0 87 87 A I H X S+ 0 0 8 -4,-0.6 4,-0.7 -3,-0.2 3,-0.3 0.981 113.3 43.9 -60.5 -55.9 22.3 2.4 3.2 88 88 A Y H >< S+ 0 0 39 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.893 111.0 55.3 -56.4 -43.6 24.6 1.3 5.8 89 89 A D H 3< S+ 0 0 69 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.2 0.882 104.2 55.1 -61.0 -34.9 22.9 -2.0 6.2 90 90 A S H 3< S+ 0 0 36 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.685 95.9 88.2 -73.4 -14.4 23.3 -2.7 2.6 91 91 A L S << S- 0 0 5 -3,-1.2 31,-0.0 -4,-0.7 2,-0.0 -0.580 74.9-119.6 -92.5 157.5 27.0 -2.3 2.6 92 92 A D > - 0 0 59 -2,-0.2 4,-2.3 1,-0.0 5,-0.1 -0.156 46.1 -91.4 -74.4 171.0 30.0 -4.6 3.3 93 93 A A H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.843 121.7 47.7 -57.0 -43.8 32.3 -3.8 6.3 94 94 A V H >> S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 3,-0.5 0.978 113.8 46.3 -64.6 -57.3 34.9 -1.7 4.4 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.900 108.3 56.4 -54.6 -40.0 32.4 0.4 2.7 96 96 A R H 3X S+ 0 0 76 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.929 104.6 54.0 -58.6 -40.2 30.5 0.9 5.9 97 97 A A H S+ 0 0 69 1,-0.3 4,-1.8 2,-0.3 -1,-0.2 0.902 138.3 53.1 -57.6 -41.4 24.5 14.1 9.2 109 109 A T H 4 S+ 0 0 122 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.913 112.5 46.3 -58.9 -41.4 23.8 17.6 8.1 110 110 A G H >< S+ 0 0 23 -4,-1.2 3,-1.4 1,-0.2 4,-0.3 0.979 111.0 49.9 -63.5 -54.2 26.8 17.2 5.8 111 111 A V H >< S+ 0 0 1 -4,-4.7 3,-1.9 1,-0.3 -1,-0.2 0.753 90.2 87.8 -58.0 -20.7 25.7 13.8 4.7 112 112 A A G >< S+ 0 0 49 -4,-1.8 3,-0.6 -5,-0.3 -1,-0.3 0.806 85.0 50.0 -50.0 -37.9 22.3 15.3 3.9 113 113 A G G < S+ 0 0 70 -3,-1.4 3,-0.5 -4,-0.5 -1,-0.3 0.555 91.1 81.6 -80.1 -4.5 23.2 16.4 0.4 114 114 A F G <> + 0 0 17 -3,-1.9 4,-3.5 -4,-0.3 5,-0.4 0.227 52.6 121.5 -85.1 16.1 24.5 13.0 -0.6 115 115 A T H <> S+ 0 0 76 -3,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.872 76.3 42.2 -44.4 -51.6 21.2 11.6 -1.3 116 116 A N H > S+ 0 0 84 -3,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.894 114.8 49.6 -70.4 -39.0 21.9 10.7 -4.8 117 117 A S H > S+ 0 0 3 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.946 110.3 51.7 -65.0 -41.5 25.4 9.3 -4.1 118 118 A L H X S+ 0 0 12 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.889 106.5 54.2 -60.7 -38.9 24.0 7.2 -1.3 119 119 A R H X S+ 0 0 105 -4,-1.9 4,-2.1 -5,-0.4 -1,-0.2 0.940 104.3 52.4 -61.8 -44.5 21.5 5.8 -3.5 120 120 A Y H <>S+ 0 0 70 -4,-1.9 5,-2.7 2,-0.2 4,-0.2 0.887 109.3 52.6 -57.8 -37.4 24.0 4.7 -6.1 121 121 A L H ><5S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.950 107.2 51.9 -61.3 -47.5 25.8 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.895 108.6 49.7 -57.0 -37.2 22.6 1.3 -2.3 123 123 A Q T 3<5S- 0 0 98 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.421 113.2-120.7 -81.0 0.6 22.2 0.1 -5.9 124 124 A K T < 5 + 0 0 101 -3,-2.2 2,-1.0 -4,-0.2 -3,-0.2 0.777 64.7 145.5 64.0 30.9 25.8 -1.2 -5.8 125 125 A R >< + 0 0 95 -5,-2.7 4,-2.6 1,-0.2 5,-0.2 -0.665 21.3 173.9-101.8 71.7 26.7 1.0 -8.7 126 126 A W H > + 0 0 50 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.793 69.3 44.9 -44.6 -56.0 30.2 1.7 -7.5 127 127 A D H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 115.0 49.2 -64.1 -44.5 31.7 3.6 -10.3 128 128 A E H > S+ 0 0 86 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.930 111.6 47.4 -62.1 -47.1 28.7 5.8 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.938 110.5 54.7 -59.9 -42.3 28.5 6.6 -7.0 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.937 109.7 45.0 -57.1 -46.4 32.2 7.4 -7.1 131 131 A V H X S+ 0 0 89 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.921 115.6 49.9 -62.4 -44.2 31.8 9.9 -9.9 132 132 A N H >< S+ 0 0 42 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.890 103.9 55.7 -63.3 -42.0 28.8 11.3 -8.1 133 133 A F H 3< S+ 0 0 0 -4,-3.4 6,-0.4 1,-0.2 -1,-0.2 0.878 100.6 62.4 -58.8 -34.2 30.4 11.7 -4.7 134 134 A A H 3< S+ 0 0 28 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.2 0.717 83.9 78.1 -65.9 -23.5 33.2 13.8 -6.4 135 135 A K S << S+ 0 0 155 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.566 81.2 95.4 -88.6 76.2 30.8 16.5 -7.5 136 136 A S S > S- 0 0 21 -2,-1.8 4,-2.3 1,-0.2 5,-0.2 -0.993 84.2-115.3-160.9 157.2 30.5 18.2 -4.1 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.959 116.4 61.0 -61.3 -44.1 31.9 20.9 -2.0 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 107.3 42.9 -45.2 -52.4 33.2 18.1 0.3 139 139 A Y H 4 S+ 0 0 51 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.964 115.0 50.9 -60.3 -49.6 35.3 16.7 -2.5 140 140 A N H < S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.7 42.7 -56.8 -42.8 36.5 20.2 -3.6 141 141 A Q H < S+ 0 0 108 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 130.2 23.8 -80.1 -28.5 37.5 21.3 -0.2 142 142 A T S X S+ 0 0 20 -4,-2.0 4,-2.4 -5,-0.3 5,-0.3 -0.611 73.8 158.9-133.6 69.7 39.3 18.1 0.9 143 143 A P H > + 0 0 55 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.849 69.7 50.0 -66.4 -35.7 40.2 16.4 -2.3 144 144 A N H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.967 116.1 40.5 -68.7 -50.2 42.9 14.2 -1.1 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.916 115.1 53.2 -62.8 -42.4 41.0 12.7 1.7 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.7 1,-0.2 5,-0.3 0.948 103.7 57.8 -57.2 -46.4 37.8 12.5 -0.4 147 147 A K H X S+ 0 0 107 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.926 107.4 46.0 -55.2 -43.4 39.7 10.7 -3.0 148 148 A R H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.974 113.3 48.2 -64.4 -50.8 40.6 7.9 -0.6 149 149 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.942 111.9 51.2 -52.0 -47.2 37.2 7.6 0.9 150 150 A I H X S+ 0 0 16 -4,-3.7 4,-3.0 1,-0.2 -1,-0.2 0.913 106.2 53.9 -60.2 -41.0 35.8 7.5 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-3.1 -5,-0.3 6,-0.4 0.879 109.2 49.5 -63.7 -32.1 38.2 4.7 -3.7 152 152 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.922 111.1 48.2 -69.7 -43.9 37.1 2.7 -0.7 153 153 A F H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 117.7 43.9 -61.6 -39.7 33.4 3.2 -1.7 154 154 A R H < S+ 0 0 102 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.911 128.4 23.1 -69.9 -47.5 34.3 2.3 -5.3 155 155 A T H < S- 0 0 47 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.696 83.4-135.0 -97.2 -25.5 36.5 -0.7 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.3 -5,-0.4 -62,-0.2 0.722 71.9 106.7 78.3 12.1 35.6 -2.1 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.1 -1,-0.3 -0.848 73.6-129.8-124.5 162.8 39.4 -2.5 -0.4 158 158 A W >> + 0 0 39 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.205 68.7 121.1 -95.6 14.6 41.7 -0.5 1.9 159 159 A D G >4 + 0 0 98 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.855 66.7 59.3 -44.8 -46.5 44.3 -0.1 -0.8 160 160 A A G 34 S+ 0 0 33 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.726 107.9 46.5 -57.7 -27.5 44.2 3.7 -0.7 161 161 A Y G X4 S+ 0 0 3 -3,-2.0 3,-1.1 -13,-0.1 -1,-0.3 0.404 86.0 114.3 -96.3 -2.0 45.2 3.6 3.0 162 162 A K T << S+ 0 0 119 -3,-1.9 -3,-0.0 -4,-0.6 0, 0.0 -0.568 81.6 16.9 -74.2 133.2 47.9 1.1 2.3 163 163 A N T 3 0 0 176 -2,-0.3 -1,-0.2 1,-0.0 -4,-0.0 0.734 360.0 360.0 80.7 26.8 51.3 2.7 3.0 164 164 A L < 0 0 128 -3,-1.1 -2,-0.1 0, 0.0 -3,-0.0 0.593 360.0 360.0-118.5 360.0 50.1 5.7 5.1