==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-07 2OU8 . 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) . 8959.0 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 . 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 0 3 0 0 1 1 0 0 0 0 0 0 2 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 94 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 155.5 -23.4 36.7 87.9 2 2 A N > - 0 0 65 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.914 360.0 -78.8-156.6 175.7 -20.8 34.4 86.4 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.803 125.1 52.5 -55.4 -36.6 -16.9 34.1 86.0 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 112.2 42.7 -68.6 -46.3 -16.9 36.6 83.1 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.876 114.2 54.3 -64.2 -36.3 -18.9 39.3 84.9 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.969 111.5 41.8 -63.9 -52.8 -16.8 38.7 88.0 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.862 109.3 59.2 -66.6 -29.5 -13.4 39.1 86.3 8 8 A R H X S+ 0 0 104 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.914 108.7 46.3 -64.6 -35.4 -14.7 42.1 84.4 9 9 A I H < S+ 0 0 46 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.929 116.4 43.9 -68.8 -44.1 -15.4 43.8 87.7 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.834 124.9 31.2 -72.9 -31.3 -12.0 42.8 89.2 11 11 A E H < S- 0 0 43 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.724 90.7-151.8-103.1 -21.5 -9.9 43.7 86.1 12 12 A G < - 0 0 24 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.182 24.1 -89.6 75.5-179.4 -11.7 46.6 84.4 13 13 A L + 0 0 34 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 42.3 170.2-135.4 124.6 -11.5 47.3 80.7 14 14 A R E -A 28 0A 145 14,-1.8 14,-2.5 -2,-0.4 4,-0.1 -0.998 20.6-159.5-135.6 137.0 -8.8 49.5 79.0 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.428 74.7 60.5 -97.3 -4.5 -8.3 49.7 75.3 16 16 A K E S-C 57 0B 139 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.917 101.5 -83.8-119.7 154.8 -4.7 51.1 75.3 17 17 A I E + 0 0 30 39,-1.3 2,-0.3 -2,-0.3 10,-0.2 -0.258 58.1 169.6 -53.3 135.1 -1.6 49.5 76.8 18 18 A Y E -A 26 0A 26 8,-2.9 8,-2.9 -4,-0.1 2,-0.4 -0.898 36.8-103.1-140.3 170.5 -1.4 50.2 80.5 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.858 34.4-138.7 -97.3 135.8 0.7 49.0 83.5 20 20 A D > - 0 0 49 4,-2.3 3,-2.3 -2,-0.4 -1,-0.0 -0.084 43.0 -78.1 -81.2-172.4 -1.0 46.5 85.9 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.756 135.1 49.5 -62.4 -22.8 -0.7 46.7 89.7 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.432 122.8-104.2 -92.0 2.4 2.8 45.2 89.4 23 23 A G S < S+ 0 0 34 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.575 74.4 141.4 87.2 10.2 3.9 47.6 86.7 24 24 A Y - 0 0 80 1,-0.1 -4,-2.3 9,-0.0 -1,-0.3 -0.710 60.8-101.0 -94.8 140.1 3.6 45.0 83.8 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-2.8 11,-0.4 9,-1.3 -0.389 55.2 163.3 -59.8 126.2 2.3 46.0 80.4 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.9 6,-0.3 2,-0.3 -0.900 18.2-171.1-141.0 155.1 -1.3 44.9 80.0 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.0 -2,-0.3 2,-0.2 -0.988 51.3 2.4-148.1 165.6 -4.3 45.6 77.8 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.8 -2,-0.3 2,-0.8 -0.442 122.9 -6.8 70.5-130.0 -8.0 44.9 77.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.657 127.7 -52.9-107.4 72.6 -9.5 42.9 80.5 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.791 83.8 159.8 69.8 28.5 -6.4 42.0 82.4 31 31 A H E < -B 27 0A 34 -4,-2.0 -4,-1.8 32,-0.0 -1,-0.2 -0.702 34.2-141.4 -86.7 105.2 -4.5 40.5 79.5 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.488 18.8-175.0 -64.6 129.0 -0.8 40.5 80.4 33 33 A L E - 0 0 14 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.891 59.9 -33.8 -91.7 -50.0 1.4 41.4 77.4 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.984 34.4-131.3-165.3 157.6 4.9 40.9 78.9 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.529 75.0 116.5 -89.6 -7.3 6.9 41.3 82.0 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.345 70.9-134.8 -63.6 136.3 9.5 43.1 79.9 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.620 77.2 104.4 -64.5 -13.6 10.2 46.8 80.8 38 38 A S > - 0 0 51 1,-0.2 4,-1.6 2,-0.0 5,-0.1 -0.597 56.0-163.1 -82.8 120.6 10.1 47.6 77.1 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.805 95.8 54.5 -65.6 -27.9 6.9 49.2 75.7 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 104.8 51.4 -75.5 -38.1 8.0 48.2 72.2 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.864 111.4 50.1 -61.4 -32.8 8.3 44.6 73.3 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.896 108.5 50.5 -72.6 -38.2 4.8 45.0 74.6 43 43 A K H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 11,-0.2 0.876 109.6 52.8 -65.3 -35.8 3.6 46.5 71.3 44 44 A S H X S+ 0 0 73 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.923 109.6 46.9 -65.0 -44.8 5.1 43.6 69.5 45 45 A E H X S+ 0 0 68 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.888 110.4 54.9 -63.3 -37.4 3.3 41.1 71.7 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.967 108.7 45.3 -63.4 -49.1 0.1 43.0 71.2 47 47 A D H X>S+ 0 0 39 -4,-2.4 4,-3.6 1,-0.2 5,-1.0 0.925 112.8 52.4 -62.2 -41.1 0.2 42.9 67.4 48 48 A K H <5S+ 0 0 145 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.853 111.4 47.1 -54.6 -45.1 1.1 39.2 67.6 49 49 A A H <5S+ 0 0 46 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.860 122.0 34.6 -69.5 -36.6 -1.9 38.5 69.8 50 50 A I H <5S- 0 0 37 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.741 100.5-130.2 -91.9 -27.1 -4.3 40.5 67.7 51 51 A G T <5S+ 0 0 71 -4,-3.6 2,-0.3 1,-0.3 -3,-0.2 0.729 74.7 79.6 83.8 24.0 -2.8 39.7 64.3 52 52 A R S - 0 0 8 -2,-1.1 3,-1.3 -11,-0.2 -1,-0.2 0.756 32.7-145.9 -93.9 -27.3 -2.3 47.9 66.4 55 55 A N T 3 S- 0 0 126 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.889 74.1 -60.6 58.7 35.8 -0.1 50.7 67.5 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.3 1,-0.1 2,-0.4 0.578 116.3 102.3 70.4 13.1 -1.0 49.8 71.1 57 57 A V B < -C 16 0B 67 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.985 45.2-178.2-125.6 140.2 -4.7 50.4 70.8 58 58 A I - 0 0 4 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.884 24.7-112.3-129.6 166.5 -7.5 47.8 70.4 59 59 A T > - 0 0 61 -2,-0.3 4,-2.1 1,-0.1 3,-0.1 -0.452 33.5-105.9 -89.3 169.0 -11.2 47.7 70.0 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.877 120.3 51.5 -62.2 -42.1 -13.8 46.5 72.5 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 108.6 51.3 -65.4 -32.2 -14.5 43.3 70.5 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 110.3 50.7 -67.8 -40.5 -10.7 42.5 70.3 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -34,-0.4 0.914 110.6 47.6 -62.4 -44.3 -10.5 43.0 74.1 64 64 A E H X S+ 0 0 85 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.851 108.7 55.3 -70.5 -29.5 -13.5 40.6 74.7 65 65 A K H X S+ 0 0 133 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.945 108.7 46.7 -64.8 -43.5 -11.9 38.0 72.3 66 66 A L H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.900 111.8 53.5 -60.6 -37.7 -8.7 38.0 74.3 67 67 A F H X S+ 0 0 11 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.932 106.7 49.5 -65.1 -48.3 -10.8 37.7 77.4 68 68 A N H X S+ 0 0 89 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.924 113.1 48.7 -53.3 -46.6 -12.7 34.7 76.2 69 69 A Q H X S+ 0 0 94 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.907 111.0 49.4 -60.1 -42.6 -9.4 33.0 75.3 70 70 A D H X S+ 0 0 35 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.840 111.4 47.8 -68.5 -36.5 -7.8 33.8 78.7 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.948 113.0 49.8 -68.8 -44.2 -10.8 32.4 80.7 72 72 A D H X S+ 0 0 92 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.948 111.5 48.5 -56.7 -45.9 -10.8 29.3 78.5 73 73 A A H X S+ 0 0 60 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.887 109.8 51.7 -68.1 -32.9 -7.1 28.9 79.1 74 74 A A H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.944 110.2 48.8 -68.4 -43.5 -7.4 29.3 82.8 75 75 A V H X S+ 0 0 36 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.950 114.0 44.6 -59.9 -49.4 -10.1 26.7 83.1 76 76 A R H X S+ 0 0 124 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.846 109.1 58.5 -69.2 -28.4 -8.2 24.2 81.0 77 77 A G H < S+ 0 0 9 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.2 0.901 107.3 46.5 -62.7 -44.1 -5.0 25.0 83.0 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 7,-0.5 0.956 111.1 52.4 -58.9 -47.6 -6.8 24.0 86.2 79 79 A L H 3< S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.727 111.4 45.4 -70.6 -18.8 -8.2 20.8 84.7 80 80 A R T 3< S+ 0 0 198 -4,-1.3 2,-0.5 -5,-0.2 -1,-0.3 0.496 94.2 94.8 -98.2 -1.6 -4.8 19.7 83.5 81 81 A N <> - 0 0 32 -3,-1.4 4,-2.6 -4,-0.5 -4,-0.0 -0.786 65.2-150.6 -96.8 129.6 -3.0 20.5 86.7 82 82 A A T 4 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.802 96.1 43.9 -71.1 -27.6 -2.7 17.6 89.2 83 83 A K T > S+ 0 0 121 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.848 120.5 39.9 -79.9 -32.5 -2.7 19.9 92.3 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.5 0.889 101.4 64.9 -89.7 -41.4 -5.6 22.0 91.1 85 85 A K H X S+ 0 0 78 -4,-2.6 4,-3.0 -7,-0.5 5,-0.3 0.892 98.7 53.4 -53.6 -46.4 -8.0 19.7 89.5 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.889 112.3 47.0 -59.2 -34.4 -9.0 17.7 92.6 87 87 A V H X S+ 0 0 7 -4,-0.5 4,-1.0 -3,-0.5 3,-0.4 0.952 112.5 48.2 -69.2 -46.7 -9.8 21.0 94.4 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.937 109.1 53.4 -56.4 -46.9 -11.8 22.3 91.5 89 89 A D H 3< S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 106.6 53.8 -61.3 -28.4 -13.8 19.1 91.2 90 90 A S H 3< S+ 0 0 36 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.697 95.9 87.4 -81.1 -14.8 -14.7 19.2 94.9 91 91 A L S << S- 0 0 5 -3,-1.0 2,-0.1 -4,-1.0 31,-0.0 -0.478 76.3-117.0 -88.5 154.7 -16.1 22.8 94.8 92 92 A D > - 0 0 56 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.294 43.9 -93.4 -74.3 171.5 -19.6 24.1 94.0 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.862 122.5 49.1 -63.5 -41.2 -20.1 26.4 91.0 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.4 62,-0.2 3,-0.4 0.960 112.9 46.9 -65.1 -45.3 -19.7 29.7 92.8 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.864 105.3 60.4 -68.8 -30.6 -16.5 28.6 94.5 96 96 A R H X S+ 0 0 79 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.893 100.8 55.8 -58.3 -36.9 -15.1 27.3 91.3 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.885 104.2 52.8 -62.7 -37.7 -15.4 30.8 89.9 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.903 109.2 49.2 -64.8 -37.1 -13.3 32.1 92.8 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.906 109.8 51.0 -69.1 -38.2 -10.6 29.6 92.0 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.936 106.9 55.3 -62.0 -43.7 -10.6 30.5 88.3 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.948 108.0 48.4 -53.6 -48.8 -10.3 34.2 89.3 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.913 112.5 47.4 -60.4 -40.3 -7.1 33.4 91.3 103 103 A V H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.935 110.2 53.2 -67.6 -40.4 -5.6 31.4 88.4 104 104 A F H < S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.914 115.4 40.9 -58.5 -42.5 -6.5 34.2 86.0 105 105 A Q H < S+ 0 0 54 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.879 134.1 13.7 -75.0 -42.6 -4.7 36.8 88.2 106 106 A M H X S- 0 0 59 -4,-2.7 4,-0.7 -5,-0.2 -3,-0.2 0.465 101.9-117.3-123.0 -1.8 -1.6 34.9 89.3 107 107 A G H X - 0 0 30 -4,-2.5 4,-2.3 -5,-0.4 5,-0.2 0.060 35.6 -73.6 85.0 162.8 -1.3 31.8 87.1 108 108 A E H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 129.9 50.7 -61.0 -45.9 -1.4 28.1 87.8 109 109 A T H > S+ 0 0 131 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.907 110.7 50.7 -58.3 -45.3 2.0 28.0 89.4 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-0.9 1,-0.2 -1,-0.2 0.898 112.8 44.2 -59.5 -48.0 1.2 30.9 91.7 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.859 104.4 62.2 -70.7 -32.8 -2.1 29.3 92.9 112 112 A A H 3< S+ 0 0 14 -4,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.761 91.5 70.2 -67.4 -17.6 -0.6 25.9 93.4 113 113 A G T << S+ 0 0 64 -3,-0.9 -1,-0.3 -4,-0.8 3,-0.3 0.420 79.8 76.8 -73.1 -1.5 1.7 27.6 96.0 114 114 A F <> + 0 0 31 -3,-2.3 4,-2.7 1,-0.2 5,-0.2 -0.174 58.8 146.2-100.5 45.4 -1.4 28.0 98.2 115 115 A C H > + 0 0 61 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.831 66.3 47.3 -51.8 -44.5 -1.1 24.3 99.1 116 116 A N H > S+ 0 0 102 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.907 114.6 46.5 -68.8 -38.8 -2.4 24.7 102.7 117 117 A S H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 110.0 53.2 -69.1 -36.9 -5.3 26.8 101.7 118 118 A L H X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.896 106.7 52.6 -66.8 -36.5 -6.3 24.5 98.9 119 119 A R H X S+ 0 0 160 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.918 109.3 50.1 -63.0 -39.5 -6.3 21.5 101.2 120 120 A M H X>S+ 0 0 43 -4,-1.7 5,-2.2 1,-0.2 4,-0.6 0.885 109.4 51.0 -64.4 -36.9 -8.7 23.4 103.5 121 121 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.944 108.2 52.0 -66.2 -41.7 -10.9 24.3 100.6 122 122 A Q H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.877 110.0 48.8 -62.5 -34.7 -11.0 20.6 99.6 123 123 A Q H 3<5S- 0 0 87 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.556 113.9-122.3 -78.2 -10.6 -12.0 19.7 103.2 124 124 A K T <<5 + 0 0 98 -3,-1.2 2,-1.1 -4,-0.6 -3,-0.2 0.783 61.7 146.8 69.8 32.9 -14.7 22.4 103.0 125 125 A R >< + 0 0 114 -5,-2.2 4,-2.5 1,-0.2 -1,-0.2 -0.746 19.8 173.0 -92.8 78.7 -13.4 24.3 106.1 126 126 A W H > + 0 0 48 -2,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.876 69.5 46.2 -67.0 -45.4 -14.4 27.7 104.6 127 127 A D H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 115.7 46.8 -64.4 -41.0 -13.6 29.9 107.6 128 128 A E H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.918 111.5 51.6 -70.3 -34.1 -10.3 28.4 108.2 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.923 106.2 54.9 -61.7 -43.4 -9.5 28.6 104.4 130 130 A A H X S+ 0 0 11 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.878 108.1 48.8 -61.4 -37.0 -10.4 32.3 104.4 131 131 A V H X S+ 0 0 89 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.911 113.1 46.6 -67.7 -42.3 -7.9 33.0 107.2 132 132 A N H >< S+ 0 0 40 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.913 107.6 57.3 -65.5 -39.5 -5.1 31.1 105.6 133 133 A L H 3< S+ 0 0 1 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.816 101.2 57.4 -62.4 -31.1 -5.8 32.7 102.2 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.8 -5,-0.2 -1,-0.3 0.699 86.1 80.6 -76.9 -14.3 -5.3 36.2 103.7 135 135 A K S << S+ 0 0 160 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.513 80.7 94.6 -87.8 74.9 -1.8 35.4 105.0 136 136 A S S > S- 0 0 19 -2,-1.8 4,-1.8 1,-0.1 5,-0.1 -0.994 86.1-113.8-159.7 153.4 -0.2 36.0 101.6 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.884 115.6 63.2 -58.7 -39.8 1.5 38.6 99.5 138 138 A W H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.935 105.1 44.3 -48.1 -50.8 -1.6 38.5 97.2 139 139 A Y H 4 S+ 0 0 64 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.8 47.9 -67.2 -38.6 -3.8 39.7 100.1 140 140 A N H < S+ 0 0 113 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.880 116.9 42.5 -72.5 -32.5 -1.3 42.4 101.2 141 141 A Q H < S+ 0 0 108 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.885 131.8 18.8 -82.2 -42.7 -0.8 43.8 97.6 142 142 A T S X S+ 0 0 19 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.553 73.8 159.9-127.9 71.0 -4.3 43.7 96.3 143 143 A P H > + 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.820 69.3 53.9 -64.9 -36.4 -6.4 43.6 99.5 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.930 115.8 38.9 -69.7 -41.4 -9.7 44.8 98.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.905 115.4 53.4 -71.8 -38.4 -9.8 42.2 95.2 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -8,-0.2 5,-0.3 0.937 106.4 53.4 -64.0 -38.8 -8.4 39.5 97.5 147 147 A K H X S+ 0 0 84 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.910 108.0 50.6 -61.5 -37.0 -11.2 40.2 100.0 148 148 A R H X S+ 0 0 61 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.928 113.9 43.7 -66.8 -39.8 -13.8 39.8 97.3 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 3,-0.3 0.942 114.5 49.0 -72.0 -43.9 -12.4 36.5 96.2 150 150 A I H X S+ 0 0 16 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.917 108.4 53.9 -58.9 -42.5 -11.9 35.2 99.8 151 151 A T H X S+ 0 0 42 -4,-2.7 4,-2.3 -5,-0.3 6,-0.4 0.834 106.5 53.9 -62.0 -30.9 -15.5 36.2 100.7 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.906 109.8 46.0 -70.7 -42.1 -16.7 34.2 97.8 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 114.8 48.4 -65.9 -36.3 -14.8 31.1 99.0 154 154 A R H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.910 125.1 25.5 -72.1 -40.0 -16.1 31.6 102.5 155 155 A T H < S- 0 0 42 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.662 86.3-136.5-101.2 -19.9 -19.7 32.1 101.7 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 1,-0.3 -62,-0.2 0.734 72.8 102.6 67.8 19.0 -20.3 30.3 98.4 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.777 80.7-121.1-124.3 173.1 -22.4 33.3 97.3 158 158 A W S >> S+ 0 0 60 -2,-0.2 3,-2.2 1,-0.2 4,-1.1 0.142 70.6 123.0 -95.5 17.0 -21.8 36.3 95.0 159 159 A D T 34 + 0 0 86 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.813 66.0 58.7 -58.8 -24.9 -22.5 38.8 97.8 160 160 A A T 34 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.795 109.5 43.8 -76.8 -16.1 -19.1 40.6 97.5 161 161 A Y T <4 S+ 0 0 2 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.593 86.0 122.2-100.2 -12.7 -19.8 41.5 93.9 162 162 A K S < S+ 0 0 132 -4,-1.1 -3,-0.0 1,-0.2 0, 0.0 -0.228 81.3 7.4 -49.2 134.3 -23.4 42.5 94.6 163 163 A N 0 0 148 1,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.972 360.0 360.0 43.7 77.9 -24.0 46.1 93.6 164 164 A L 0 0 133 -3,-0.2 -1,-0.2 0, 0.0 -3,-0.1 -0.701 360.0 360.0-146.7 360.0 -20.7 46.7 91.8