==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-06 2IGC . 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) . 8865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 69.5 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 . 9 5.5 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 1 0 1 2 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.0 -22.9 36.3 86.5 2 2 A N > - 0 0 69 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.922 360.0 -80.2-160.5 173.2 -20.4 33.9 84.9 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.842 126.7 52.1 -59.5 -34.3 -16.6 33.7 84.4 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 113.1 43.0 -66.5 -45.0 -16.7 36.2 81.4 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.880 114.9 52.0 -66.4 -36.6 -18.7 38.8 83.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.948 113.1 42.0 -65.0 -51.8 -16.5 38.2 86.4 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.854 109.5 59.2 -68.5 -30.3 -13.2 38.7 84.6 8 8 A R H X S+ 0 0 105 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.920 109.3 45.4 -63.4 -38.2 -14.6 41.6 82.7 9 9 A I H < S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.933 117.7 42.5 -64.0 -46.1 -15.2 43.3 86.0 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.817 124.8 33.4 -73.9 -30.3 -11.8 42.4 87.4 11 11 A E H < S- 0 0 42 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.681 92.0-151.3-100.2 -21.7 -9.8 43.2 84.3 12 12 A G < - 0 0 22 -4,-1.8 2,-0.3 -5,-0.4 -1,-0.2 -0.242 21.9 -91.4 77.5-174.3 -11.6 46.1 82.7 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.918 45.3 164.3-143.0 116.7 -11.7 46.9 79.0 14 14 A R E -A 28 0A 146 14,-1.8 14,-2.4 -2,-0.3 4,-0.1 -1.000 23.3-159.0-134.8 136.9 -9.1 49.2 77.3 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.450 73.5 64.7-100.3 1.7 -8.6 49.3 73.6 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.924 100.2 -87.4-118.4 149.9 -5.1 50.8 73.6 17 17 A I E + 0 0 32 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.317 58.0 167.2 -56.0 133.8 -1.9 49.1 75.0 18 18 A Y E -A 26 0A 27 8,-2.7 8,-2.9 -4,-0.1 2,-0.5 -0.909 38.5-101.1-139.3 167.9 -1.6 49.9 78.7 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.811 36.2-139.7 -97.2 134.6 0.5 48.7 81.6 20 20 A D > - 0 0 45 4,-2.7 3,-2.1 -2,-0.5 -1,-0.1 0.018 41.5 -76.6 -77.9-173.2 -1.2 46.3 84.0 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.737 134.7 50.4 -65.9 -22.1 -0.9 46.2 87.8 22 22 A E T 3 S- 0 0 71 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.374 122.6-104.6 -92.3 2.2 2.5 44.6 87.5 23 23 A G S < S+ 0 0 38 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.596 76.7 137.4 85.8 13.3 3.7 47.2 85.0 24 24 A Y - 0 0 72 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.752 62.0-102.2-103.1 141.1 3.4 44.8 82.0 25 25 A Y E +A 19 0A 37 11,-0.4 8,-2.7 9,-0.4 9,-1.3 -0.367 53.7 159.2 -64.6 132.9 2.0 45.8 78.6 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.872 19.1-168.1-145.1 164.8 -1.5 44.6 78.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 2,-0.2 -0.974 51.7 8.2-153.5 166.1 -4.6 45.3 76.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.8 -2,-0.3 2,-0.9 -0.429 122.6 -9.4 72.2-134.7 -8.3 44.5 75.9 29 29 A I T 4 S- 0 0 7 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.711 129.2 -49.7-103.3 74.9 -9.7 42.6 78.8 30 30 A G T 4 S+ 0 0 12 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.824 83.1 162.5 68.1 27.7 -6.6 41.7 80.6 31 31 A H E < -B 27 0A 27 -4,-2.4 -4,-1.7 -20,-0.1 2,-0.3 -0.696 30.5-145.8 -82.8 103.9 -4.7 40.3 77.6 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.507 17.2-175.3 -66.0 125.8 -1.0 40.3 78.7 33 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.889 57.0 -34.4 -89.0 -46.6 1.2 41.0 75.7 34 34 A T - 0 0 27 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.973 34.1-130.9-170.5 156.3 4.6 40.6 77.1 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.398 75.1 114.4 -97.9 -1.9 6.7 41.1 80.2 36 36 A S - 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.394 70.0-135.8 -64.7 141.5 9.3 42.8 78.1 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.503 76.6 104.2 -75.6 1.7 9.8 46.5 78.8 38 38 A S > - 0 0 49 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.713 57.7-161.0 -88.9 117.7 9.9 47.2 75.1 39 39 A L H > S+ 0 0 67 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.878 96.0 56.8 -56.9 -37.9 6.7 48.8 73.8 40 40 A N H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 104.6 51.3 -63.3 -38.0 7.8 47.7 70.3 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 110.0 49.8 -61.6 -42.0 8.0 44.1 71.6 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.901 109.7 50.9 -64.4 -40.7 4.4 44.5 72.9 43 43 A K H X S+ 0 0 48 -4,-2.8 4,-2.7 2,-0.2 11,-0.3 0.906 108.5 52.4 -63.2 -40.4 3.2 45.9 69.6 44 44 A S H X S+ 0 0 73 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.931 109.6 48.3 -62.8 -43.1 4.7 43.0 67.8 45 45 A E H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.919 111.0 51.8 -58.1 -41.3 2.9 40.6 70.1 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.938 109.0 48.9 -62.6 -44.5 -0.3 42.4 69.6 47 47 A D H X>S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.2 5,-0.9 0.924 112.5 48.7 -65.2 -38.8 -0.1 42.2 65.8 48 48 A K H <5S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.4 49.2 -62.0 -41.6 0.7 38.5 66.0 49 49 A A H <5S+ 0 0 41 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.873 121.0 33.6 -67.1 -37.7 -2.2 37.9 68.3 50 50 A I H <5S- 0 0 38 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.675 103.1-125.0 -94.2 -25.8 -4.7 39.8 66.2 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.695 76.6 72.9 87.9 19.2 -3.4 39.0 62.8 52 52 A R S - 0 0 12 -2,-1.1 3,-1.3 -11,-0.3 -1,-0.2 0.661 32.9-146.9 -92.3 -22.5 -2.5 47.4 64.8 55 55 A N T 3 S- 0 0 111 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.876 75.3 -52.7 42.5 45.8 0.0 50.0 66.0 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.512 115.4 98.4 84.6 7.1 -1.3 49.4 69.5 57 57 A V B < +C 16 0B 71 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.994 42.4 177.2-130.8 132.0 -5.1 49.9 69.1 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.818 27.4-108.3-126.6 171.5 -7.8 47.3 68.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.493 32.2-109.2 -91.0 166.1 -11.5 47.2 68.5 60 60 A K H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 121.0 52.8 -59.8 -43.3 -14.0 46.0 71.1 61 61 A D H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 109.6 48.9 -60.9 -40.2 -14.7 42.9 69.0 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 110.1 51.2 -64.7 -42.5 -11.0 42.1 68.8 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.913 110.7 49.1 -58.5 -41.9 -10.6 42.6 72.6 64 64 A E H X S+ 0 0 85 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.852 108.3 54.0 -68.4 -33.4 -13.5 40.2 73.1 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.954 110.8 44.5 -65.6 -47.9 -12.0 37.6 70.7 66 66 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.901 112.6 54.4 -60.1 -37.5 -8.7 37.6 72.6 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.925 107.0 48.9 -64.2 -44.7 -10.6 37.4 75.9 68 68 A N H X S+ 0 0 89 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.917 112.5 49.0 -61.3 -41.8 -12.6 34.4 74.8 69 69 A Q H X S+ 0 0 90 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.891 111.4 50.0 -61.0 -40.3 -9.3 32.7 73.8 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.868 110.7 47.6 -71.3 -35.2 -7.7 33.6 77.1 71 71 A V H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.945 113.7 48.5 -66.1 -46.4 -10.5 32.2 79.2 72 72 A D H X S+ 0 0 78 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.938 111.2 50.6 -57.6 -45.5 -10.6 29.0 77.1 73 73 A A H X S+ 0 0 58 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.887 108.0 53.1 -64.0 -34.5 -6.8 28.7 77.5 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.962 112.3 44.3 -66.6 -45.2 -7.0 29.2 81.3 75 75 A V H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.945 113.5 49.3 -62.2 -47.7 -9.5 26.4 81.5 76 76 A R H X S+ 0 0 138 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.906 110.6 52.7 -58.0 -39.6 -7.6 24.1 79.2 77 77 A G H X S+ 0 0 7 -4,-2.4 4,-0.7 -5,-0.3 3,-0.5 0.926 108.1 49.7 -60.6 -47.0 -4.5 24.8 81.2 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 7,-0.4 0.931 109.8 51.2 -55.9 -47.5 -6.2 23.8 84.4 79 79 A L H 3< S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.731 111.4 47.4 -70.6 -18.9 -7.5 20.6 82.9 80 80 A R H 3< S+ 0 0 178 -4,-1.2 2,-0.6 -3,-0.5 -1,-0.3 0.460 93.8 93.5 -91.3 -6.8 -3.9 19.6 81.7 81 81 A N S+ 0 0 0 -3,-0.3 4,-2.8 -6,-0.2 5,-0.3 0.831 102.3 67.7 -96.7 -35.4 -5.1 21.9 89.4 85 85 A K H X S+ 0 0 84 -4,-2.8 4,-3.2 -7,-0.4 5,-0.2 0.928 99.1 50.1 -58.9 -48.5 -7.4 19.5 87.6 86 86 A P H > S+ 0 0 61 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.917 114.7 44.6 -58.2 -39.7 -8.3 17.4 90.7 87 87 A V H > S+ 0 0 6 -4,-0.4 4,-0.8 2,-0.2 3,-0.5 0.966 113.9 49.4 -68.8 -47.9 -9.3 20.6 92.6 88 88 A Y H >< S+ 0 0 30 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.936 111.2 49.7 -52.2 -50.0 -11.1 22.1 89.7 89 89 A D H 3< S+ 0 0 71 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.0 55.7 -63.5 -27.0 -13.1 18.9 89.1 90 90 A S H 3< S+ 0 0 33 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.632 97.0 88.0 -76.0 -16.3 -14.0 18.8 92.8 91 91 A L S << S- 0 0 6 -3,-1.5 2,-0.1 -4,-0.8 31,-0.0 -0.477 77.4-116.6 -89.8 155.0 -15.5 22.3 92.7 92 92 A D > - 0 0 53 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.345 44.7 -95.9 -69.2 164.5 -19.0 23.6 91.9 93 93 A A H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.837 122.6 52.2 -58.2 -35.2 -19.3 25.9 88.9 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.947 113.3 43.2 -68.2 -45.0 -19.1 29.2 90.9 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.850 108.3 59.4 -70.1 -30.8 -15.9 28.1 92.6 96 96 A R H X S+ 0 0 78 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.921 103.3 53.3 -58.3 -41.4 -14.5 26.8 89.3 97 97 A A H X S+ 0 0 6 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.887 105.5 53.5 -61.1 -39.8 -14.9 30.3 88.0 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.924 110.0 47.4 -62.8 -40.4 -12.9 31.6 91.0 99 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 110.7 51.1 -67.7 -40.4 -10.1 29.2 90.1 100 100 A I H X S+ 0 0 8 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.926 108.0 54.3 -59.2 -41.1 -10.2 30.2 86.4 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.945 108.5 47.8 -58.8 -48.7 -10.0 33.8 87.5 102 102 A M H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.925 113.5 47.2 -59.5 -44.2 -6.8 33.1 89.5 103 103 A V H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.904 109.9 53.4 -65.5 -39.6 -5.2 31.2 86.6 104 104 A F H < S+ 0 0 29 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.921 116.4 40.4 -56.4 -44.1 -6.1 34.0 84.2 105 105 A Q H < S+ 0 0 51 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.941 133.4 14.6 -73.3 -47.4 -4.4 36.5 86.4 106 106 A M H < S- 0 0 57 -4,-2.9 4,-0.4 -5,-0.2 -3,-0.2 0.520 104.3-109.6-118.1 -3.3 -1.3 34.7 87.6 107 107 A G X - 0 0 31 -4,-2.1 4,-2.5 -5,-0.4 5,-0.2 0.036 32.9 -80.7 90.5 155.7 -0.8 31.7 85.3 108 108 A E H > S+ 0 0 70 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.914 128.0 48.7 -60.6 -48.5 -1.1 28.0 85.8 109 109 A T H > S+ 0 0 120 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.922 110.4 54.2 -63.0 -39.8 2.3 27.5 87.4 110 110 A G H 4 S+ 0 0 35 -4,-0.4 3,-0.4 1,-0.2 -2,-0.2 0.930 114.8 36.9 -57.9 -51.5 1.5 30.4 89.7 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.5 1,-0.2 -1,-0.2 0.871 107.8 64.6 -72.6 -35.4 -1.7 29.0 91.0 112 112 A A H 3< S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.768 97.1 59.5 -62.0 -20.2 -0.5 25.3 91.0 113 113 A G T 3< S+ 0 0 58 -4,-1.1 2,-1.7 -3,-0.4 3,-0.3 0.519 76.4 90.6 -89.2 3.0 2.0 26.3 93.7 114 114 A F <> + 0 0 37 -3,-2.5 4,-2.7 1,-0.2 3,-0.3 -0.267 56.5 153.4 -79.5 53.0 -0.8 27.5 96.0 115 115 A C H > + 0 0 54 -2,-1.7 4,-2.5 1,-0.3 -1,-0.2 0.864 60.1 48.8 -64.2 -40.1 -0.7 23.9 97.3 116 116 A N H > S+ 0 0 105 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.927 114.8 46.3 -66.4 -37.9 -1.9 24.4 100.8 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.896 110.5 53.4 -68.9 -38.2 -4.8 26.4 99.7 118 118 A L H X S+ 0 0 10 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.910 107.8 51.1 -61.6 -40.8 -5.6 23.9 96.9 119 119 A R H X S+ 0 0 141 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.922 110.1 49.0 -63.4 -43.1 -5.7 21.1 99.5 120 120 A M H <>S+ 0 0 37 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.891 111.5 49.8 -64.2 -35.6 -8.1 23.1 101.7 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.936 109.3 50.7 -67.9 -45.2 -10.3 23.8 98.7 122 122 A Q H 3<5S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.9 50.5 -56.3 -34.8 -10.3 20.1 97.8 123 123 A Q T 3<5S- 0 0 63 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.507 111.0-126.3 -79.4 -8.5 -11.3 19.4 101.4 124 124 A K T < 5 + 0 0 96 -3,-1.5 2,-1.1 -4,-0.4 -3,-0.2 0.862 61.2 145.7 60.8 38.4 -14.1 22.0 101.1 125 125 A R >< + 0 0 116 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.734 21.9 172.6 -98.1 76.6 -12.8 23.8 104.2 126 126 A W H > + 0 0 47 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.856 68.1 46.4 -68.5 -39.0 -13.8 27.1 102.7 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 116.3 47.1 -69.6 -41.1 -13.2 29.5 105.6 128 128 A E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 111.4 50.9 -62.4 -42.1 -9.8 28.0 106.1 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.930 108.6 52.4 -60.7 -44.3 -9.0 28.1 102.4 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.926 109.5 48.5 -60.4 -44.1 -10.0 31.8 102.3 131 131 A V H X S+ 0 0 86 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.933 114.3 46.3 -60.4 -43.1 -7.6 32.6 105.2 132 132 A N H >< S+ 0 0 38 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.902 106.6 57.5 -68.7 -39.3 -4.8 30.7 103.6 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.805 101.1 58.0 -60.7 -32.2 -5.4 32.3 100.1 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.9 -3,-0.3 -1,-0.3 0.646 84.4 82.2 -74.8 -12.5 -4.9 35.8 101.6 135 135 A K S << S+ 0 0 158 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.500 82.0 99.4 -87.7 66.2 -1.4 34.9 102.9 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.996 85.2-118.9-152.4 152.9 0.0 35.6 99.5 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.920 115.6 61.7 -56.6 -42.3 1.8 38.1 97.3 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.924 106.1 42.0 -50.0 -52.3 -1.3 38.0 95.2 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.1 50.3 -64.7 -44.1 -3.6 39.3 98.0 140 140 A N H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 115.8 41.1 -62.5 -39.3 -1.1 41.9 99.1 141 141 A Q H < S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 133.4 19.8 -83.8 -31.9 -0.6 43.3 95.6 142 142 A T S X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.3 -0.568 75.0 158.9-131.8 69.1 -4.2 43.2 94.4 143 143 A P H > + 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.857 69.9 52.2 -68.6 -36.2 -6.2 43.0 97.6 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.949 116.2 40.9 -66.4 -43.5 -9.6 44.2 96.3 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.925 115.7 50.1 -66.9 -45.4 -9.6 41.7 93.5 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.900 107.3 55.1 -61.8 -38.4 -8.3 38.9 95.6 147 147 A K H X S+ 0 0 102 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.901 109.0 48.5 -61.2 -40.4 -10.9 39.7 98.3 148 148 A R H X S+ 0 0 55 -4,-1.7 4,-1.6 2,-0.2 12,-0.2 0.925 114.0 44.7 -63.9 -43.1 -13.6 39.2 95.6 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 114.3 49.8 -67.9 -42.5 -12.2 36.0 94.3 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.916 107.9 52.9 -63.7 -39.9 -11.7 34.7 97.9 151 151 A T H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 6,-0.4 0.878 107.4 53.3 -60.8 -35.3 -15.2 35.6 98.8 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.929 112.2 43.9 -67.0 -42.4 -16.4 33.5 95.8 153 153 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.891 115.1 49.4 -66.7 -38.6 -14.3 30.6 97.1 154 154 A R H < S+ 0 0 108 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.948 127.1 21.7 -68.2 -40.8 -15.5 31.0 100.6 155 155 A T H < S- 0 0 40 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.666 85.2-136.0-103.0 -23.5 -19.2 31.3 99.8 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.4 -62,-0.2 0.783 74.1 105.0 65.9 24.3 -19.7 29.6 96.4 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.804 80.0-122.1-125.7 170.6 -21.9 32.6 95.5 158 158 A W >> + 0 0 58 -2,-0.3 3,-1.9 1,-0.2 4,-0.9 0.062 69.5 123.3 -98.4 21.8 -21.5 35.7 93.4 159 159 A D T 34 + 0 0 101 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.824 67.7 59.2 -59.2 -29.2 -22.1 38.2 96.2 160 160 A A T 34 S+ 0 0 21 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.698 111.3 41.2 -74.9 -14.7 -18.7 39.9 95.7 161 161 A Y T X4 S+ 0 0 1 -3,-1.9 3,-1.6 -13,-0.1 -1,-0.2 0.450 87.1 109.3-107.6 -4.9 -19.6 40.8 92.1 162 162 A K T 3< S+ 0 0 139 -4,-0.9 -3,-0.0 -3,-0.5 0, 0.0 -0.413 88.0 20.0 -61.7 143.7 -23.3 41.8 92.8 163 163 A N T 3 0 0 150 1,-0.1 -1,-0.3 -2,-0.0 -4,-0.0 0.637 360.0 360.0 65.2 10.2 -23.6 45.6 92.4 164 164 A L < 0 0 124 -3,-1.6 -2,-0.2 0, 0.0 -1,-0.1 0.355 360.0 360.0-107.5 360.0 -20.4 45.7 90.4