==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-99 1CUP . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.D.LINDSTROM,J.LU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 7.4 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 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 67 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.2 43.6 -1.9 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.959 360.0 -77.7-155.0-178.4 40.4 -0.7 10.7 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.832 124.0 50.2 -55.5 -41.7 38.2 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 114.5 41.8 -70.2 -45.2 40.3 3.7 14.2 5 5 A E H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.870 113.3 54.8 -66.9 -36.8 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.950 112.7 41.2 -65.3 -47.6 42.0 4.8 9.2 7 7 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.837 108.0 61.3 -68.0 -27.3 40.8 7.9 10.9 8 8 A R H X S+ 0 0 98 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.900 107.6 46.5 -68.4 -28.6 43.9 8.2 12.9 9 9 A I H < S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.924 114.6 45.0 -72.6 -46.5 45.7 8.6 9.6 10 10 A D H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 124.4 30.2 -68.5 -32.0 43.3 11.0 8.1 11 11 A E H < S- 0 0 46 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.670 92.2-151.8-100.6 -27.9 42.9 13.3 11.0 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.127 24.1 -85.0 79.3-173.9 46.2 13.1 12.8 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.949 43.1 171.6-139.5 118.6 46.7 13.6 16.5 14 14 A R E -A 28 0A 133 14,-1.8 14,-2.6 -2,-0.4 4,-0.1 -0.997 19.3-163.1-125.6 134.5 47.3 17.1 18.3 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.2 12,-0.2 2,-0.4 0.443 73.8 59.3 -97.7 -1.7 47.3 17.7 21.9 16 16 A K E S-C 57 0B 116 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.952 102.0 -85.2-118.1 155.2 46.8 21.5 22.0 17 17 A I E + 0 0 29 39,-1.5 2,-0.3 -2,-0.4 10,-0.2 -0.186 58.6 171.5 -52.3 143.5 43.8 23.3 20.5 18 18 A Y E -A 26 0A 29 8,-3.0 8,-3.3 -4,-0.1 2,-0.5 -0.868 34.6-102.3-146.7 172.8 44.3 23.9 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.888 33.5-138.5-104.5 137.3 42.3 25.0 13.8 20 20 A D > - 0 0 49 4,-3.3 3,-1.9 -2,-0.5 -1,-0.0 -0.057 41.4 -79.9 -79.6-168.5 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 135.4 47.9 -66.9 -20.8 40.9 22.8 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.368 123.8-105.9 -95.6 -1.7 37.7 25.1 7.9 23 23 A G S < S+ 0 0 34 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.598 73.8 141.5 85.6 17.6 39.4 27.2 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-3.3 9,-0.0 -1,-0.3 -0.727 59.3-100.9 -92.9 150.0 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-2.7 11,-0.4 9,-1.3 -0.483 54.5 158.7 -70.6 130.1 38.9 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.3 -8,-3.0 -2,-0.3 2,-0.3 -0.858 18.9-169.7-142.3 170.5 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.1 -2,-0.3 2,-0.2 -0.988 51.2 9.4-156.6 168.9 41.8 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.8 -2,-0.3 2,-1.0 -0.458 122.1 -9.6 67.9-128.5 42.9 15.5 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.696 127.0 -51.6-109.9 71.5 42.0 13.3 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-0.9 -19,-0.3 -2,-0.2 0.753 83.9 159.3 72.6 23.6 39.7 15.5 14.8 31 31 A H E < -B 27 0A 36 -4,-2.1 -4,-1.9 1,-0.0 -1,-0.2 -0.687 34.3-141.9 -84.7 108.5 37.4 16.3 17.7 32 32 A L E -B 26 0A 73 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.415 18.8-175.4 -68.0 124.9 35.6 19.5 16.8 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.910 57.8 -28.7 -87.0 -52.2 35.2 21.8 19.7 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.958 35.9-135.8-161.2 156.6 33.1 24.7 18.4 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.549 74.0 110.6 -94.6 -9.4 32.4 26.6 15.2 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.313 73.8-130.2 -70.1 152.6 32.6 29.9 17.1 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.544 76.9 103.3 -77.8 -8.1 35.5 32.2 16.4 38 38 A S > - 0 0 51 1,-0.1 4,-1.6 -13,-0.0 5,-0.1 -0.695 55.4-160.4 -87.8 122.2 36.3 32.6 20.1 39 39 A L H > S+ 0 0 67 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.794 95.5 55.4 -68.4 -29.4 39.2 30.7 21.7 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.956 103.7 52.7 -70.3 -44.5 37.7 31.1 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 110.6 50.4 -52.8 -37.6 34.6 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.871 107.9 50.8 -69.0 -38.8 36.8 26.6 22.7 43 43 A K H X S+ 0 0 62 -4,-2.4 4,-2.3 2,-0.2 11,-0.2 0.927 111.0 51.1 -68.2 -32.4 38.6 26.3 26.0 44 44 A S H X S+ 0 0 70 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.946 110.3 45.9 -66.9 -48.4 35.3 26.2 27.7 45 45 A E H X S+ 0 0 66 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.890 112.3 55.4 -60.9 -41.1 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.924 109.1 43.9 -58.8 -46.2 37.2 21.6 26.0 47 47 A D H X>S+ 0 0 33 -4,-2.3 4,-2.5 1,-0.2 5,-1.1 0.918 112.6 52.3 -69.1 -38.0 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.864 111.0 48.2 -64.3 -36.3 33.5 20.6 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 120.4 35.6 -72.5 -35.7 34.3 17.7 27.4 50 50 A I H <5S- 0 0 34 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.677 103.7-125.3 -90.8 -27.6 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.810 76.6 70.9 87.3 26.5 35.9 17.2 32.9 52 52 A R S - 0 0 8 -2,-0.8 3,-1.0 -11,-0.2 -1,-0.2 0.731 32.3-142.7 -91.2 -30.4 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 118 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.842 70.5 -59.5 65.4 32.9 44.0 25.2 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.594 117.3 97.8 76.5 3.7 43.8 24.0 26.1 57 57 A V B < +C 16 0B 54 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.990 46.9 179.3-125.5 141.7 46.1 21.1 26.5 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.856 26.3-110.9-131.7 167.5 45.2 17.4 26.9 59 59 A T > - 0 0 64 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.496 32.3-106.3 -91.2 175.6 47.0 14.1 27.3 60 60 A K H > S+ 0 0 107 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.881 121.0 53.7 -65.4 -41.9 47.2 11.3 24.8 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.890 108.6 49.8 -57.4 -46.5 44.9 9.2 26.9 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 110.0 51.2 -62.4 -44.6 42.3 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.905 110.5 49.9 -56.9 -46.7 42.5 12.4 23.2 64 64 A E H X S+ 0 0 78 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.835 107.3 52.9 -62.0 -35.4 42.0 8.7 22.7 65 65 A K H X S+ 0 0 137 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.965 109.6 48.0 -68.3 -42.6 39.1 8.7 25.0 66 66 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.879 111.2 53.4 -59.3 -39.7 37.4 11.5 23.0 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.944 105.9 51.3 -65.7 -42.3 38.2 9.6 19.9 68 68 A N H X S+ 0 0 89 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.946 110.9 48.3 -57.2 -43.4 36.6 6.5 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.934 109.8 52.2 -64.2 -42.2 33.4 8.4 22.0 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.857 108.2 50.8 -64.2 -34.5 33.3 10.1 18.6 71 71 A V H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.962 111.0 48.4 -69.3 -44.1 33.6 6.8 16.8 72 72 A D H X S+ 0 0 78 -4,-2.4 4,-2.4 -5,-0.3 5,-0.3 0.957 109.3 52.8 -59.8 -43.6 30.8 5.3 18.7 73 73 A A H X S+ 0 0 48 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.3 0.892 105.0 56.1 -61.1 -36.8 28.7 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.963 107.4 47.4 -62.6 -45.1 29.2 8.0 14.5 75 75 A V H X S+ 0 0 33 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.942 112.9 49.0 -58.9 -48.2 28.0 4.5 14.3 76 76 A R H X S+ 0 0 127 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.932 107.5 54.0 -64.7 -32.8 25.0 5.2 16.3 77 77 A G H X S+ 0 0 4 -4,-2.7 4,-0.6 -5,-0.3 -1,-0.3 0.904 109.7 49.6 -63.1 -38.9 24.2 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.2 7,-0.4 0.966 109.9 50.2 -60.5 -49.6 24.3 6.0 11.1 79 79 A L H 3< S+ 0 0 66 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.766 112.5 45.9 -67.7 -23.5 22.1 3.5 12.6 80 80 A R H 3< S+ 0 0 190 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.451 93.0 93.3 -92.1 -8.9 19.5 6.0 13.7 81 81 A N S+ 0 0 120 1,-0.1 4,-0.5 2,-0.1 -1,-0.2 0.789 120.6 40.7 -86.2 -24.4 18.8 7.5 4.8 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 5,-0.3 0.850 99.9 66.2 -86.9 -44.3 22.0 6.1 6.1 85 85 A K H X S+ 0 0 82 -4,-3.2 4,-3.0 -7,-0.4 5,-0.3 0.944 99.9 51.8 -47.1 -46.1 21.1 2.9 7.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.928 110.7 48.6 -64.2 -30.4 20.0 1.1 4.8 87 87 A V H X S+ 0 0 2 -4,-0.5 4,-1.0 1,-0.2 3,-0.3 0.966 111.7 47.6 -69.1 -51.6 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 32 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.892 109.2 54.7 -54.4 -46.5 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 74 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.862 107.6 51.5 -62.7 -33.4 23.4 -2.4 6.2 90 90 A S H 3< S+ 0 0 42 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.643 97.3 85.9 -77.1 -17.5 24.0 -3.2 2.5 91 91 A L S << S- 0 0 5 -4,-1.0 31,-0.0 -3,-0.9 2,-0.0 -0.574 75.5-115.5 -86.2 163.6 27.7 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.200 44.0 -91.3 -83.1 173.5 30.7 -4.9 3.2 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.864 121.3 46.3 -60.9 -41.8 33.0 -4.2 6.2 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.6 62,-0.2 3,-0.3 0.951 113.8 49.1 -67.0 -41.8 35.7 -2.1 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 104.3 58.3 -68.2 -33.4 33.1 -0.0 2.7 96 96 A R H X S+ 0 0 78 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.886 102.9 55.8 -57.5 -37.8 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.5 -3,-0.3 -2,-0.2 0.917 104.4 53.4 -62.0 -36.8 34.5 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.893 109.1 47.8 -68.0 -33.6 34.5 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.889 110.9 51.5 -72.5 -36.5 31.0 5.6 5.2 100 100 A M H X S+ 0 0 14 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.935 106.1 54.8 -64.4 -40.3 31.9 6.0 8.8 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 5,-0.2 0.935 109.4 47.4 -56.8 -46.6 34.9 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.930 111.7 49.6 -63.9 -40.1 32.7 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.904 109.5 53.0 -66.9 -31.2 30.2 10.7 8.8 104 104 A F H < S+ 0 0 33 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.940 114.8 40.7 -70.7 -34.6 32.9 11.4 11.2 105 105 A Q H < S+ 0 0 54 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.897 132.5 17.6 -77.0 -42.4 34.2 14.3 9.1 106 106 A M H X S- 0 0 55 -4,-2.6 4,-0.8 -5,-0.2 -3,-0.2 0.392 103.9-115.1-118.8 1.0 31.0 15.9 8.0 107 107 A G H X - 0 0 32 -4,-1.9 4,-2.1 -5,-0.4 5,-0.2 0.198 33.9 -77.3 77.9 155.6 28.3 14.7 10.2 108 108 A E H > S+ 0 0 55 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.847 128.4 51.6 -60.3 -40.0 25.4 12.7 9.6 109 109 A T H > S+ 0 0 114 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.936 107.0 52.6 -67.4 -42.9 23.4 15.4 8.1 110 110 A G H < S+ 0 0 33 -4,-0.8 3,-0.5 1,-0.2 -2,-0.2 0.925 113.6 43.6 -61.0 -43.6 26.1 16.3 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.899 103.4 63.3 -72.0 -34.1 26.4 12.8 4.4 112 112 A A H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 93.8 66.6 -61.4 -20.9 22.7 12.1 4.2 113 113 A G T 3< S+ 0 0 58 -4,-1.1 2,-0.9 -3,-0.5 3,-0.3 0.477 75.4 86.4 -77.9 -0.7 22.6 14.9 1.6 114 114 A F <> + 0 0 39 -3,-2.5 4,-2.7 1,-0.2 5,-0.3 -0.315 56.4 155.4 -93.5 56.0 24.7 12.8 -0.9 115 115 A T H > + 0 0 88 -2,-0.9 4,-1.8 1,-0.3 -1,-0.2 0.856 64.2 45.2 -51.7 -53.0 21.5 11.3 -2.0 116 116 A N H > S+ 0 0 100 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.904 113.8 48.6 -64.6 -40.0 22.5 10.3 -5.4 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 109.6 54.6 -65.5 -40.0 25.9 8.8 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.906 105.9 51.8 -55.5 -45.6 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 154 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.946 110.7 48.8 -61.3 -39.7 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 29 -4,-1.8 5,-2.1 2,-0.2 4,-0.5 0.897 109.5 50.8 -68.4 -37.4 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.941 108.4 53.0 -68.8 -40.1 26.5 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.899 109.5 48.8 -59.9 -34.7 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 68 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.507 111.9-121.8 -81.0 -8.2 23.2 -0.5 -5.8 124 124 A K T < 5 + 0 0 99 -3,-1.8 2,-1.4 -4,-0.5 -3,-0.2 0.722 61.1 148.0 71.9 31.9 26.9 -1.5 -5.8 125 125 A R >< + 0 0 106 -5,-2.1 4,-2.2 1,-0.2 -1,-0.2 -0.692 22.3 176.4 -94.7 75.7 27.6 0.6 -8.8 126 126 A W H > + 0 0 51 -2,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.899 68.8 42.6 -54.5 -53.8 31.2 1.4 -7.6 127 127 A D H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.936 114.6 51.9 -65.4 -39.8 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 109.8 48.0 -63.9 -40.3 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.2 4,-3.5 2,-0.2 -1,-0.2 0.918 108.7 54.9 -63.3 -38.8 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.911 109.4 47.4 -62.3 -42.0 33.1 7.3 -7.1 131 131 A V H X S+ 0 0 99 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.934 113.7 46.9 -65.8 -46.4 32.6 9.6 -9.9 132 132 A N H >< S+ 0 0 36 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.901 107.6 56.6 -62.5 -41.9 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.3 1,-0.2 -1,-0.2 0.876 100.7 59.0 -59.9 -28.9 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 25 -4,-1.2 2,-1.7 -3,-0.3 -1,-0.2 0.692 85.2 80.0 -75.9 -16.8 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 166 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.571 81.3 96.0 -85.9 69.3 31.5 16.2 -7.7 136 136 A S S > S- 0 0 16 -2,-1.7 4,-1.8 1,-0.1 5,-0.2 -0.994 84.8-117.4-154.3 157.7 31.3 17.8 -4.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.877 113.6 65.0 -65.0 -36.1 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.950 104.8 44.0 -52.5 -45.0 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 54 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.0 48.4 -70.8 -41.4 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.2 45.4 -70.1 -27.6 37.5 20.0 -3.9 141 141 A Q H < S+ 0 0 107 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.890 130.8 17.2 -84.5 -41.8 38.3 21.2 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.564 75.1 163.7-129.3 69.0 40.1 18.1 1.0 143 143 A P H > + 0 0 52 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.847 67.5 51.8 -55.7 -41.4 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.943 115.0 41.7 -69.1 -41.0 43.7 13.9 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.947 114.5 51.5 -68.3 -48.2 41.6 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.931 107.3 54.4 -56.0 -40.4 38.5 12.4 -0.2 147 147 A K H X S+ 0 0 106 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.890 107.3 51.8 -57.6 -40.0 40.5 10.4 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.6 4,-1.4 -3,-0.3 -1,-0.2 0.947 112.7 42.7 -63.7 -43.6 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.881 114.3 51.6 -68.7 -40.6 37.9 7.4 1.0 150 150 A I H X S+ 0 0 15 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.907 108.4 50.5 -61.3 -47.2 36.6 7.3 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.7 4,-2.3 -5,-0.2 6,-0.4 0.817 107.1 56.9 -60.0 -34.2 39.2 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.918 110.0 42.3 -64.6 -41.8 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.838 114.9 52.2 -71.7 -36.5 34.4 2.6 -1.8 154 154 A R H < S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.918 123.7 23.8 -65.3 -41.7 35.4 1.9 -5.3 155 155 A T H < S- 0 0 47 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.418 85.0-136.4-101.3 -15.9 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 18 -4,-1.9 2,-0.2 1,-0.2 -62,-0.2 0.667 73.0 98.2 62.4 18.4 36.5 -2.4 -1.3 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -2,-0.2 -0.806 80.4-118.3-125.3 178.5 40.1 -2.8 -0.1 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.2 1,-0.2 4,-0.7 0.143 71.1 121.9 -97.8 16.4 42.5 -0.7 2.1 159 159 A D G >4 + 0 0 109 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.820 67.0 59.6 -53.0 -34.1 45.0 -0.1 -0.6 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.665 109.7 44.5 -66.1 -22.4 44.8 3.7 -0.3 161 161 A Y G <4 0 0 20 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.504 360.0 360.0-105.7 -1.0 45.8 3.5 3.2 162 162 A K << 0 0 174 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.871 360.0 360.0 -94.5 360.0 48.7 1.0 2.8