==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUN-09 3HU9 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 6.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.2 -40.7 38.1 7.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.906 360.0 -83.2-152.0 176.8 -41.5 34.9 5.3 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.842 125.7 51.5 -59.5 -36.0 -39.8 31.5 4.9 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 112.5 43.9 -67.3 -44.6 -37.6 32.7 2.0 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.891 114.4 52.3 -64.9 -37.6 -36.3 35.8 4.0 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.952 113.1 41.2 -63.4 -51.7 -35.8 33.6 7.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.822 109.4 60.4 -68.8 -32.5 -33.7 30.9 5.3 8 8 A R H X S+ 0 0 106 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.906 108.0 45.2 -59.1 -40.5 -31.8 33.6 3.4 9 9 A I H < S+ 0 0 84 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.939 117.7 43.8 -64.3 -47.5 -30.6 35.0 6.7 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.820 124.4 32.0 -70.0 -32.0 -29.8 31.6 8.1 11 11 A E H < S- 0 0 42 -4,-2.8 19,-0.4 1,-0.2 -1,-0.2 0.654 92.3-151.5-100.6 -21.1 -28.1 30.2 5.0 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.164 22.7 -90.6 73.6-174.5 -26.4 33.2 3.4 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.942 44.5 167.3-141.1 115.9 -25.8 33.5 -0.3 14 14 A R E -A 28 0A 147 14,-2.0 14,-2.5 -2,-0.4 4,-0.1 -1.000 21.4-160.9-131.0 133.2 -22.5 32.4 -1.9 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.546 73.7 63.4 -93.0 -8.9 -22.1 32.0 -5.6 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.873 101.5 -86.2-111.4 150.5 -19.0 29.7 -5.6 17 17 A I E + 0 0 30 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.275 58.6 168.1 -53.8 131.9 -18.9 26.2 -4.2 18 18 A Y E -A 26 0A 26 8,-2.6 8,-2.9 -4,-0.1 2,-0.5 -0.888 37.5-101.9-137.9 170.1 -18.1 26.4 -0.4 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.845 34.8-137.5 -99.4 133.5 -18.2 23.9 2.5 20 20 A D > - 0 0 46 4,-2.7 3,-1.9 -2,-0.5 -1,-0.1 0.049 42.6 -76.9 -73.9-170.1 -21.2 24.2 4.9 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.727 134.8 49.6 -66.4 -22.5 -21.0 24.0 8.7 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.374 123.1-103.3 -95.2 4.1 -20.5 20.2 8.4 23 23 A G S < S+ 0 0 40 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.611 75.7 139.6 85.9 12.9 -17.8 20.4 5.8 24 24 A Y - 0 0 76 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.765 61.3-101.9 -98.7 138.7 -20.0 19.4 2.9 25 25 A Y E +A 19 0A 34 9,-0.5 8,-2.7 11,-0.4 9,-1.4 -0.334 54.8 160.1 -61.5 131.2 -19.8 21.1 -0.6 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.6 6,-0.3 2,-0.3 -0.874 19.2-166.8-146.7 160.0 -22.7 23.5 -1.0 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.3 -2,-0.3 2,-0.2 -0.982 51.4 3.2-150.7 164.6 -23.6 26.5 -3.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.8 -0.441 123.6 -6.8 71.3-130.9 -26.1 29.3 -3.3 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.717 129.2 -52.0-103.5 73.7 -28.5 29.6 -0.4 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.803 82.3 162.9 64.3 32.6 -27.6 26.4 1.4 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.9 -20,-0.1 2,-0.3 -0.729 31.8-143.1 -84.2 105.7 -28.0 24.1 -1.6 32 32 A L E -B 26 0A 75 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.509 19.5-176.8 -66.9 128.2 -26.1 20.9 -0.5 33 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.864 58.5 -33.0 -92.0 -46.4 -24.3 19.4 -3.5 34 34 A T - 0 0 32 -9,-1.4 -9,-0.5 2,-0.1 -1,-0.4 -0.961 34.0-131.3-168.9 156.2 -22.8 16.2 -2.0 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.457 75.9 114.3 -91.5 -4.3 -21.4 14.7 1.2 36 36 A S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.394 67.8-140.6 -63.1 137.6 -18.5 13.4 -0.9 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.496 76.4 102.5 -75.7 -0.5 -15.1 14.9 -0.0 38 38 A D >> - 0 0 80 1,-0.2 4,-1.6 2,-0.0 3,-0.7 -0.742 60.2-159.4 -90.2 112.7 -14.3 14.9 -3.8 39 39 A L H 3> S+ 0 0 66 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.822 92.8 59.9 -58.6 -32.1 -14.7 18.4 -5.2 40 40 A N H 3> S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.869 102.7 51.8 -65.6 -34.9 -15.1 16.9 -8.7 41 41 A A H <> S+ 0 0 31 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.891 109.8 49.6 -65.6 -39.7 -18.1 15.0 -7.5 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.901 109.3 51.4 -63.8 -42.4 -19.6 18.3 -6.2 43 43 A K H X S+ 0 0 58 -4,-2.5 4,-2.5 2,-0.2 11,-0.3 0.882 108.8 51.2 -63.3 -38.9 -18.9 20.0 -9.5 44 44 A S H X S+ 0 0 72 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 110.5 48.6 -63.0 -46.2 -20.7 17.2 -11.4 45 45 A E H X S+ 0 0 71 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.896 111.3 51.2 -59.3 -41.5 -23.7 17.6 -9.0 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.945 109.4 48.3 -59.8 -49.0 -23.7 21.3 -9.6 47 47 A D H X>S+ 0 0 36 -4,-2.5 4,-2.4 1,-0.2 5,-0.9 0.872 113.0 49.2 -62.9 -37.6 -23.6 21.0 -13.4 48 48 A K H <5S+ 0 0 141 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.859 111.5 49.4 -65.2 -40.3 -26.5 18.5 -13.2 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.864 120.8 34.2 -69.5 -36.3 -28.5 20.7 -11.0 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.742 102.2-126.0 -91.8 -28.3 -28.1 23.8 -13.1 51 51 A G T <5S+ 0 0 67 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.687 78.1 69.0 87.8 21.5 -28.1 22.2 -16.6 52 52 A R S - 0 0 9 -2,-1.0 3,-1.5 -11,-0.3 -1,-0.2 0.638 30.0-144.7 -92.4 -18.6 -20.6 25.8 -14.3 55 55 A N T 3 S- 0 0 113 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.889 74.5 -52.5 46.2 45.5 -17.0 25.2 -13.2 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.523 119.5 94.9 78.9 8.2 -18.0 25.7 -9.6 57 57 A V B < +C 16 0B 54 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.994 44.3 178.3-136.9 137.6 -19.7 29.1 -10.0 58 58 A I - 0 0 5 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.814 27.5-107.5-127.8 171.5 -23.4 30.2 -10.5 59 59 A T > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.535 32.8-108.4 -92.8 165.7 -25.4 33.4 -10.8 60 60 A K H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 121.3 53.0 -57.5 -43.7 -27.7 34.9 -8.2 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 109.5 48.6 -58.8 -44.4 -30.7 34.0 -10.4 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 110.8 50.6 -63.1 -43.1 -29.5 30.4 -10.5 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -34,-0.4 0.908 110.8 49.1 -58.7 -43.9 -29.0 30.3 -6.7 64 64 A E H X S+ 0 0 78 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.850 108.1 54.4 -67.1 -32.4 -32.5 31.7 -6.2 65 65 A K H X S+ 0 0 136 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.947 109.9 45.8 -66.2 -46.4 -33.9 29.0 -8.6 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.894 112.0 53.5 -59.0 -39.0 -32.3 26.2 -6.5 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.927 107.3 49.9 -65.1 -43.5 -33.5 27.9 -3.4 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.927 114.2 45.6 -58.7 -47.2 -37.1 28.0 -4.7 69 69 A Q H X S+ 0 0 97 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.905 113.4 49.7 -61.1 -42.9 -36.9 24.3 -5.6 70 70 A D H X S+ 0 0 37 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.891 111.9 46.4 -69.2 -40.0 -35.3 23.4 -2.2 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.947 113.9 49.2 -64.8 -47.3 -37.9 25.2 -0.1 72 72 A D H X S+ 0 0 106 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.940 112.6 47.7 -54.9 -50.6 -40.8 23.7 -2.2 73 73 A A H X S+ 0 0 64 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.879 109.7 53.2 -63.8 -36.7 -39.2 20.2 -1.8 74 74 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.937 112.8 43.4 -61.5 -48.3 -38.8 20.7 2.0 75 75 A V H X S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 114.4 49.1 -63.7 -47.5 -42.4 21.7 2.5 76 76 A R H X S+ 0 0 122 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.889 108.8 55.0 -62.6 -36.4 -43.8 18.9 0.3 77 77 A G H X S+ 0 0 12 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.919 105.8 51.2 -59.9 -44.6 -41.5 16.4 2.1 78 78 A I H >< S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.2 7,-0.5 0.937 109.9 50.2 -57.4 -45.7 -43.1 17.5 5.4 79 79 A L H 3< S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.809 110.5 49.6 -65.3 -31.1 -46.6 16.9 4.0 80 80 A R H 3< S+ 0 0 177 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.494 92.8 92.2 -83.5 -4.5 -45.6 13.5 2.7 81 81 A N S+ 0 0 7 -3,-0.2 4,-2.9 -6,-0.2 3,-0.3 0.864 101.0 70.1 -89.5 -37.0 -44.4 15.5 10.5 85 85 A K H X S+ 0 0 97 -4,-3.0 4,-3.1 -7,-0.5 5,-0.2 0.898 98.8 46.4 -53.4 -52.5 -47.7 16.3 8.6 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.888 115.9 47.2 -61.6 -35.7 -50.1 16.3 11.6 87 87 A V H >> S+ 0 0 9 -4,-0.5 4,-0.8 -3,-0.3 3,-0.5 0.964 113.5 48.0 -66.8 -48.7 -47.7 18.4 13.6 88 88 A Y H >< S+ 0 0 28 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.922 111.0 50.5 -54.6 -49.7 -47.1 20.9 10.8 89 89 A D H 3< S+ 0 0 79 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 105.2 58.1 -65.7 -22.6 -50.9 21.2 10.1 90 90 A S H << S+ 0 0 35 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.660 94.8 88.7 -75.8 -19.1 -51.5 21.9 13.7 91 91 A L S << S- 0 0 8 -3,-1.4 2,-0.1 -4,-0.8 31,-0.0 -0.443 78.1-115.8 -83.0 156.5 -49.2 24.9 13.7 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.307 43.6 -93.6 -73.5 169.5 -49.8 28.6 12.8 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.833 122.3 49.2 -61.2 -36.2 -48.1 30.1 9.8 94 94 A V H >> S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.954 112.3 46.3 -72.7 -46.1 -45.1 31.5 11.6 95 95 A R H 3> S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.856 105.0 62.8 -64.6 -32.1 -44.3 28.3 13.5 96 96 A R H 3X S+ 0 0 77 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 100.1 55.0 -55.7 -36.8 -44.7 26.4 10.2 97 97 A C H X - 0 0 28 -4,-2.4 4,-1.6 -5,-0.3 3,-0.6 0.243 33.0 -88.6 83.9 143.1 -33.4 16.8 6.4 108 108 A E H 3> S+ 0 0 65 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.785 123.7 65.1 -55.9 -33.6 -36.8 15.4 7.1 109 109 A T H 3> S+ 0 0 118 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.952 103.0 44.3 -52.7 -58.2 -35.2 12.3 8.5 110 110 A G H X< S+ 0 0 24 -3,-0.6 3,-1.0 -4,-0.5 -2,-0.2 0.932 114.9 47.9 -56.0 -50.9 -33.6 14.0 11.4 111 111 A V H >< S+ 0 0 6 -4,-1.6 3,-2.2 1,-0.3 -1,-0.2 0.869 103.4 60.2 -62.3 -39.4 -36.6 16.1 12.3 112 112 A A H 3< S+ 0 0 11 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.738 101.0 57.2 -64.1 -19.6 -39.1 13.2 12.2 113 113 A G T << S+ 0 0 52 -3,-1.0 2,-2.1 -4,-0.8 3,-0.3 0.459 76.4 96.0 -88.2 -3.3 -37.0 11.5 14.9 114 114 A F <> + 0 0 40 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 -0.295 52.8 158.7 -78.8 55.1 -37.5 14.6 17.2 115 115 A T H > + 0 0 83 -2,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.854 64.4 42.9 -56.3 -46.3 -40.4 12.6 18.7 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.922 115.7 48.2 -71.0 -41.2 -40.7 14.3 22.1 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.912 111.1 52.5 -60.7 -45.3 -40.3 17.9 20.6 118 118 A L H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.904 108.6 49.3 -58.8 -44.0 -42.9 17.1 18.0 119 119 A R H X S+ 0 0 115 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.922 111.4 49.1 -62.4 -45.4 -45.4 15.9 20.5 120 120 A M H <>S+ 0 0 29 -4,-2.1 5,-2.6 2,-0.2 4,-0.3 0.891 111.0 50.4 -63.3 -36.3 -44.9 19.0 22.6 121 121 A L H ><5S+ 0 0 4 -4,-2.5 3,-1.4 2,-0.2 -2,-0.2 0.934 109.8 49.6 -66.9 -43.8 -45.3 21.3 19.6 122 122 A Q H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.877 111.3 50.0 -62.7 -34.1 -48.6 19.5 18.6 123 123 A Q T 3<5S- 0 0 82 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.511 112.1-124.4 -78.3 -5.3 -49.8 20.0 22.2 124 124 A K T < 5 + 0 0 95 -3,-1.4 2,-1.4 -4,-0.3 -3,-0.2 0.816 60.6 148.3 59.9 36.1 -48.8 23.7 22.0 125 125 A R >< + 0 0 121 -5,-2.6 4,-2.7 1,-0.2 5,-0.2 -0.689 21.4 173.9 -93.8 76.5 -46.6 23.4 25.1 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.860 66.9 44.3 -66.8 -42.0 -44.3 26.0 23.7 127 127 A D H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 116.3 48.7 -69.8 -38.9 -41.8 26.6 26.5 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 111.2 49.8 -63.5 -42.9 -41.5 22.8 27.1 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.923 109.7 52.3 -61.7 -43.6 -40.9 22.2 23.4 130 130 A A H X S+ 0 0 9 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.912 109.2 48.7 -61.4 -42.3 -38.3 24.9 23.3 131 131 A V H X S+ 0 0 88 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.937 113.8 47.1 -61.3 -44.0 -36.4 23.4 26.2 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.910 105.9 58.0 -66.3 -38.9 -36.5 20.0 24.6 133 133 A L H 3< S+ 0 0 1 -4,-2.7 6,-0.4 1,-0.3 -1,-0.2 0.824 101.2 56.8 -62.7 -31.1 -35.4 21.2 21.1 134 134 A A H 3< S+ 0 0 32 -4,-1.3 2,-1.9 -3,-0.3 -1,-0.3 0.645 85.0 83.1 -77.5 -15.1 -32.2 22.7 22.6 135 135 A K S << S+ 0 0 162 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.532 81.6 98.5 -84.5 69.5 -31.1 19.3 24.0 136 136 A S S > S- 0 0 19 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.998 85.9-118.1-156.4 154.0 -29.7 18.3 20.7 137 137 A R H > S+ 0 0 140 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.912 115.4 62.4 -58.2 -41.1 -26.6 17.9 18.5 138 138 A W H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.939 106.8 41.0 -48.6 -54.2 -28.4 20.5 16.2 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.933 115.1 50.5 -65.1 -44.2 -28.4 23.1 18.9 140 140 A N H < S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 115.4 41.9 -65.0 -32.8 -24.8 22.4 20.1 141 141 A Q H < S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 133.1 20.1 -84.5 -35.3 -23.3 22.5 16.6 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.575 74.9 157.9-130.8 68.5 -25.3 25.6 15.3 143 143 A P H > + 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.848 69.6 52.3 -67.6 -36.2 -26.4 27.4 18.5 144 144 A D H > S+ 0 0 109 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.943 116.7 39.4 -68.9 -41.2 -27.0 30.8 17.2 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 115.5 51.9 -68.0 -46.4 -29.2 29.6 14.3 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.895 106.2 55.6 -58.1 -40.5 -30.9 27.0 16.5 147 147 A K H X S+ 0 0 99 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.907 108.6 47.8 -58.0 -40.7 -31.7 29.7 19.1 148 148 A R H X S+ 0 0 67 -4,-1.4 4,-1.8 2,-0.2 12,-0.2 0.936 114.2 45.3 -66.8 -42.1 -33.5 31.8 16.4 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.935 113.6 50.1 -68.8 -42.1 -35.5 28.8 15.1 150 150 A I H X S+ 0 0 9 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.901 107.8 52.9 -62.9 -41.5 -36.4 27.8 18.7 151 151 A T H X S+ 0 0 31 -4,-2.4 4,-2.6 -5,-0.2 6,-0.4 0.876 108.0 52.6 -59.8 -38.2 -37.5 31.3 19.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.930 111.7 44.8 -63.9 -44.3 -39.8 31.2 16.5 153 153 A F H < S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.851 115.8 48.7 -62.8 -38.0 -41.3 27.9 17.7 154 154 A R H < S+ 0 0 82 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 126.6 21.5 -71.5 -39.9 -41.6 29.2 21.2 155 155 A T H < S- 0 0 48 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.653 83.3-134.9-106.0 -23.4 -43.3 32.5 20.4 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.784 74.0 106.9 64.1 24.9 -44.9 32.3 16.9 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.826 79.6-122.5-124.4 168.7 -43.4 35.7 16.2 158 158 A W >> + 0 0 48 -2,-0.3 3,-2.2 1,-0.2 4,-0.7 0.096 69.4 124.1 -95.1 21.7 -40.5 36.8 14.0 159 159 A D G >4 + 0 0 123 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.823 68.8 55.9 -54.5 -35.5 -38.7 38.5 16.9 160 160 A A G 34 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.584 113.2 41.0 -75.0 -9.6 -35.5 36.5 16.4 161 161 A Y G <4 0 0 15 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.398 360.0 360.0-113.6 1.5 -35.2 37.7 12.8 162 162 A K << 0 0 220 -3,-0.8 -1,-0.3 -4,-0.7 -4,-0.1 -0.700 360.0 360.0 68.6 360.0 -36.2 41.3 13.4