==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 17-DEC-92 111L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 7.4 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.6 43.4 -1.9 9.3 2 2 A N > - 0 0 70 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.909 360.0 -81.1-152.3 175.7 40.2 -0.9 10.9 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.809 125.3 51.5 -53.2 -38.4 38.0 2.3 11.4 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 111.8 43.2 -67.9 -47.2 40.2 3.6 14.2 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.874 114.4 52.8 -65.6 -36.9 43.5 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.4 0.958 111.7 43.4 -64.9 -52.4 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.878 109.6 58.9 -62.1 -33.1 40.5 7.8 11.0 8 8 A R H X S+ 0 0 99 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.903 107.2 46.8 -64.5 -33.9 43.8 8.2 12.9 9 9 A I H < S+ 0 0 84 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.934 116.5 43.7 -71.1 -46.0 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.820 124.5 31.7 -72.0 -30.1 43.1 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.676 90.2-156.3-102.6 -21.7 42.7 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.122 26.4 -86.9 69.4-168.5 46.2 13.0 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.981 41.9 173.4-140.7 129.2 46.6 13.7 16.5 14 14 A R E -A 28 0A 146 14,-1.6 14,-2.4 -2,-0.4 4,-0.1 -0.993 19.1-161.7-138.5 129.4 47.1 17.1 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.372 75.6 63.1 -90.2 3.8 47.1 17.7 22.0 16 16 A K E S-C 57 0B 103 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.930 100.7 -87.3-129.5 144.3 46.6 21.5 21.8 17 17 A I E + 0 0 18 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.321 58.0 170.7 -50.9 135.3 43.5 23.3 20.4 18 18 A Y E -A 26 0A 28 8,-2.8 8,-2.9 -4,-0.1 2,-0.4 -0.896 35.8-104.6-140.3 166.6 44.1 23.8 16.7 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.805 34.4-138.2 -97.8 136.1 42.0 25.0 13.8 20 20 A D > - 0 0 50 4,-2.4 3,-1.9 -2,-0.4 -1,-0.1 -0.112 40.4 -80.8 -78.4-175.1 40.7 22.4 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.752 134.0 49.6 -62.8 -22.5 40.7 22.7 7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.428 123.0-104.9 -93.7 -0.9 37.5 24.8 7.8 23 23 A G S < S+ 0 0 38 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.591 74.7 139.3 88.8 13.2 39.0 27.1 10.4 24 24 A Y - 0 0 78 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.762 61.3-100.5 -99.7 144.2 37.1 25.6 13.4 25 25 A Y E +AB 19 34A 36 9,-0.6 8,-2.9 11,-0.5 9,-1.4 -0.348 55.2 158.3 -61.2 124.3 38.5 25.0 16.8 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-2.8 6,-0.3 2,-0.3 -0.870 18.2-172.0-140.8 166.6 39.4 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.3 4,-2.0 -2,-0.3 -12,-0.2 -0.967 52.3 9.2-154.1 169.0 41.6 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.6 -2,-0.3 2,-0.8 -0.374 122.6 -9.0 65.8-131.3 42.7 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 -0.669 126.7 -51.8-104.8 71.6 41.8 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.768 83.3 161.0 68.0 30.5 39.5 15.4 14.8 31 31 A H E < -B 27 0A 34 -4,-2.0 -4,-1.3 1,-0.0 -1,-0.2 -0.668 33.4-142.4 -86.7 103.1 37.2 16.3 17.7 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.388 19.3-176.1 -63.0 129.5 35.4 19.5 16.6 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.890 57.5 -28.3 -93.4 -48.1 34.9 21.8 19.6 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.961 35.1-134.8-166.2 154.3 32.9 24.6 18.2 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.521 75.9 108.8 -89.3 -6.4 32.0 26.5 15.0 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.421 73.3-131.9 -74.7 147.2 32.4 29.8 16.9 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.461 76.4 106.2 -74.6 -5.6 35.3 32.1 16.3 38 38 A S > - 0 0 50 1,-0.2 4,-1.7 2,-0.0 -2,-0.1 -0.706 54.5-164.1 -88.1 119.1 35.9 32.4 19.9 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.755 97.1 54.9 -65.0 -23.9 38.9 30.6 21.4 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 103.9 51.0 -75.1 -44.8 37.3 31.2 24.7 41 41 A A H > S+ 0 0 31 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.854 112.9 49.5 -57.3 -34.4 34.1 29.6 23.6 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.880 108.0 49.8 -73.2 -41.6 36.4 26.6 22.5 43 43 A K H X S+ 0 0 50 -4,-2.0 4,-2.0 1,-0.2 11,-0.3 0.858 111.5 52.5 -66.2 -29.4 38.4 26.3 25.8 44 44 A N H X S+ 0 0 102 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.871 110.0 46.1 -70.3 -42.1 35.0 26.3 27.5 45 45 A E H X S+ 0 0 68 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.889 111.0 55.2 -68.1 -38.0 33.7 23.5 25.3 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.917 109.0 44.6 -61.8 -45.4 37.0 21.7 25.9 47 47 A D H X>S+ 0 0 30 -4,-2.0 4,-2.0 2,-0.2 5,-1.1 0.853 112.7 52.6 -66.3 -37.3 36.7 21.7 29.8 48 48 A K H <5S+ 0 0 142 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.932 111.5 46.6 -63.3 -47.1 33.1 20.7 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.854 121.7 35.2 -65.4 -38.1 34.1 17.7 27.4 50 50 A I H <5S- 0 0 34 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.657 101.4-127.5 -93.1 -20.8 37.0 16.6 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.858 76.4 74.6 76.7 33.3 35.6 17.4 33.0 52 52 A R S - 0 0 11 -2,-0.8 3,-0.7 -11,-0.3 -1,-0.2 0.733 33.0-140.8 -96.0 -30.0 42.5 22.0 30.8 55 55 A N T 3 S- 0 0 116 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.818 73.9 -58.7 67.7 31.1 43.8 25.4 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.587 118.0 100.0 74.5 17.3 43.5 24.2 26.1 57 57 A V B < +C 16 0B 64 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.996 44.4 178.9-135.3 137.4 45.7 21.2 26.4 58 58 A I - 0 0 4 -43,-2.0 2,-0.1 -2,-0.4 -30,-0.1 -0.844 26.4-112.7-130.0 167.3 44.9 17.5 26.9 59 59 A T > - 0 0 69 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.461 34.8-101.8 -95.4 173.3 46.9 14.3 27.3 60 60 A K H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.864 121.4 53.8 -60.1 -42.7 47.0 11.4 24.8 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.855 108.7 48.4 -60.2 -44.0 44.6 9.3 27.0 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 110.1 52.5 -63.3 -42.3 42.0 12.1 27.0 63 63 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -34,-0.4 0.929 110.4 48.4 -58.6 -44.9 42.4 12.4 23.2 64 64 A E H X S+ 0 0 71 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.835 108.2 54.5 -66.7 -30.1 41.8 8.7 22.8 65 65 A K H X S+ 0 0 137 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 108.5 46.9 -70.6 -41.5 38.8 8.9 25.0 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 112.2 54.1 -61.3 -37.1 37.2 11.6 22.9 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.946 105.9 49.1 -64.0 -51.3 38.0 9.5 19.9 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.900 113.7 49.0 -54.6 -41.9 36.4 6.3 21.2 69 69 A Q H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.883 109.5 50.7 -66.2 -39.6 33.3 8.4 22.0 70 70 A D H X S+ 0 0 36 -4,-2.2 4,-1.9 -3,-0.2 -2,-0.2 0.858 110.2 48.0 -68.2 -34.1 33.2 10.0 18.6 71 71 A V H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.951 112.6 49.5 -71.6 -44.2 33.4 6.8 16.6 72 72 A D H X S+ 0 0 88 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.935 111.9 48.7 -59.6 -45.0 30.7 5.2 18.7 73 73 A A H X S+ 0 0 42 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.903 109.5 51.6 -64.1 -40.3 28.5 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.954 112.3 46.5 -60.5 -49.1 29.1 8.2 14.4 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.937 114.1 47.7 -59.4 -46.1 28.1 4.5 14.2 76 76 A R H X S+ 0 0 107 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.856 109.3 54.5 -65.1 -34.2 25.0 5.1 16.4 77 77 A G H X S+ 0 0 3 -4,-2.8 4,-0.7 -5,-0.2 -1,-0.2 0.907 108.3 48.4 -62.8 -45.4 24.1 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 7,-0.3 0.954 110.5 51.2 -58.3 -50.6 24.2 6.0 11.1 79 79 A L H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.738 112.9 45.6 -62.5 -26.5 22.0 3.2 12.7 80 80 A R H 3< S+ 0 0 175 -4,-1.4 2,-0.5 -5,-0.1 -1,-0.3 0.458 93.7 93.2 -92.5 -12.2 19.4 5.8 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 5,-0.2 0.796 101.2 69.1 -88.6 -36.6 21.9 6.1 6.2 85 85 A K H X S+ 0 0 86 -4,-2.6 4,-3.1 -7,-0.3 5,-0.2 0.916 98.3 49.5 -50.6 -50.3 21.0 2.8 7.9 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.860 111.6 50.9 -62.7 -33.6 19.9 0.9 4.8 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-1.1 2,-0.2 3,-0.2 0.948 112.4 45.3 -67.1 -49.1 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 31 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.927 111.0 53.5 -58.5 -43.6 25.2 0.8 5.8 89 89 A D H 3< S+ 0 0 75 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.832 107.4 53.4 -62.5 -30.9 23.3 -2.5 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.712 96.4 86.8 -76.7 -24.6 23.9 -3.1 2.5 91 91 A L S << S- 0 0 5 -4,-1.1 2,-0.1 -3,-0.7 31,-0.0 -0.390 74.7-118.0 -80.5 158.0 27.7 -2.7 2.6 92 92 A D > - 0 0 56 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.285 44.9 -91.6 -78.8 171.3 30.5 -5.1 3.3 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.882 121.7 48.1 -56.1 -47.1 32.9 -4.4 6.3 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.3 62,-0.2 3,-0.3 0.962 114.0 45.9 -60.7 -49.4 35.5 -2.3 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.815 104.4 61.6 -66.6 -30.2 33.1 -0.1 2.8 96 96 A R H X S+ 0 0 78 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.911 100.9 56.1 -61.2 -37.2 31.1 0.4 6.0 97 97 A A H X S+ 0 0 8 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.897 103.4 53.7 -60.8 -39.2 34.3 1.9 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.868 107.6 49.9 -63.2 -38.1 34.3 4.5 4.6 99 99 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.925 109.7 51.4 -68.0 -37.3 30.8 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.928 107.5 53.1 -64.2 -44.1 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.944 109.5 48.4 -58.2 -45.5 34.7 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.920 111.7 48.8 -61.0 -44.9 32.5 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.894 110.3 52.4 -63.4 -36.6 30.0 10.7 8.9 104 104 A F H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.7 40.5 -65.6 -39.1 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 54 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.893 132.6 18.3 -77.3 -45.3 34.1 14.3 9.1 106 106 A M H X S- 0 0 52 -4,-2.6 4,-0.7 -5,-0.2 -3,-0.2 0.502 102.1-118.2-112.6 0.3 31.0 15.9 7.9 107 107 A G H X - 0 0 33 -4,-2.4 4,-1.9 -5,-0.3 5,-0.2 0.086 36.4 -75.4 80.9 160.2 28.2 14.8 10.3 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.837 130.4 50.0 -57.8 -43.0 25.1 12.8 9.6 109 109 A T H > S+ 0 0 124 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.931 107.9 53.3 -66.8 -46.3 23.3 15.6 8.0 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-0.8 1,-0.2 -2,-0.2 0.925 114.9 40.8 -52.2 -52.5 26.2 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-3.2 1,-0.3 -1,-0.2 0.903 104.5 63.4 -63.8 -47.0 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 13 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.737 94.7 68.1 -53.3 -17.1 22.6 12.3 4.2 113 113 A G T << S+ 0 0 57 -4,-0.9 -1,-0.3 -3,-0.8 3,-0.3 0.421 76.7 80.3 -83.5 0.6 23.0 15.1 1.6 114 114 A F <> + 0 0 33 -3,-3.2 4,-2.6 1,-0.2 3,-0.4 -0.208 57.7 151.9 -99.3 43.3 24.8 12.8 -0.8 115 115 A T H > + 0 0 81 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.860 66.7 46.1 -38.2 -57.6 21.5 11.3 -1.9 116 116 A N H > S+ 0 0 95 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.905 114.4 47.6 -61.2 -40.7 22.5 10.3 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.872 108.8 54.8 -67.1 -39.1 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.918 106.6 51.5 -61.8 -44.0 24.1 6.8 -1.5 119 119 A R H X S+ 0 0 122 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.903 110.0 48.9 -58.4 -42.7 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 26 -4,-1.7 5,-2.4 2,-0.2 4,-0.4 0.884 110.9 50.2 -66.6 -38.5 24.5 4.2 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.959 109.1 51.7 -63.9 -46.3 26.4 2.6 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.873 110.0 49.7 -56.2 -37.3 23.3 0.8 -2.2 123 123 A Q T 3<5S- 0 0 80 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.478 112.6-122.3 -80.8 -5.1 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 98 -3,-2.1 2,-1.3 -4,-0.4 -3,-0.2 0.747 61.9 146.5 66.3 31.8 26.6 -1.6 -5.7 125 125 A R >< + 0 0 118 -5,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.696 20.1 173.0 -96.3 75.9 27.6 0.5 -8.7 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.889 69.4 45.6 -55.8 -52.2 31.1 1.2 -7.4 127 127 A D H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 116.3 47.4 -62.4 -40.3 32.6 3.0 -10.4 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 110.9 50.6 -67.6 -41.5 29.6 5.2 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.884 107.8 54.0 -61.4 -41.5 29.4 6.0 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.908 108.9 49.1 -59.9 -41.2 33.1 7.0 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.942 113.5 44.8 -63.4 -49.8 32.5 9.4 -10.0 132 132 A N H >< S+ 0 0 40 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.894 106.9 58.1 -63.4 -40.7 29.5 11.1 -8.4 133 133 A L H 3< S+ 0 0 1 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.850 100.6 60.2 -59.5 -33.1 31.1 11.4 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.2 2,-1.5 -3,-0.3 -1,-0.2 0.656 86.5 77.2 -69.6 -19.8 33.9 13.5 -6.6 135 135 A K S << S+ 0 0 161 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.618 81.8 96.7 -89.3 70.4 31.4 16.1 -7.8 136 136 A S S > S- 0 0 20 -2,-1.5 4,-1.8 1,-0.1 5,-0.2 -0.991 85.2-117.5-155.7 154.2 31.1 17.7 -4.4 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.873 114.6 64.8 -61.0 -36.8 32.6 20.5 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.929 104.5 43.0 -49.7 -51.1 33.9 17.8 -0.0 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 114.7 49.1 -66.3 -39.9 36.2 16.5 -2.8 140 140 A N H < S+ 0 0 107 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.4 42.6 -70.4 -33.5 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 108 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.865 130.3 21.1 -81.8 -39.2 38.1 21.1 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 -0.501 72.8 162.6-131.8 69.3 39.9 18.0 0.9 143 143 A P H > + 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.824 69.9 50.1 -56.9 -42.3 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.936 116.2 41.6 -68.7 -41.5 43.6 13.8 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 113.9 52.1 -67.7 -46.5 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.921 107.3 53.6 -58.7 -41.1 38.3 12.3 -0.3 147 147 A K H X S+ 0 0 92 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.883 107.3 51.6 -60.9 -37.6 40.3 10.2 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.4 4,-1.5 2,-0.2 12,-0.2 0.937 114.0 42.5 -65.0 -42.5 41.3 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 114.5 50.5 -68.4 -45.2 37.7 7.3 1.0 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.882 109.6 51.4 -58.1 -43.3 36.4 7.2 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.8 -5,-0.3 6,-0.4 0.869 107.8 53.9 -62.2 -34.7 39.0 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.905 111.0 44.0 -65.1 -46.1 37.9 2.6 -0.4 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.882 115.3 51.3 -66.2 -37.2 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 108 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.934 124.2 22.6 -65.2 -48.4 35.5 1.8 -5.2 155 155 A T H < S- 0 0 44 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.657 86.3-133.8 -96.8 -20.8 37.6 -1.2 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.1 2,-0.3 -5,-0.3 -62,-0.2 0.762 74.6 102.9 69.3 22.6 36.3 -2.5 -1.1 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.852 80.2-121.2-128.2 172.1 39.9 -2.8 0.0 158 158 A W S > S+ 0 0 45 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 0.183 71.1 121.6 -96.5 16.3 42.3 -0.8 2.3 159 159 A D G > + 0 0 94 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.845 66.5 59.0 -50.3 -37.4 44.8 -0.1 -0.5 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.677 107.6 48.3 -67.0 -17.2 44.5 3.7 -0.2 161 161 A Y G < 0 0 18 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.375 360.0 360.0-105.7 3.3 45.7 3.5 3.3 162 162 A K < 0 0 168 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.1 0.901 360.0 360.0 -99.0 360.0 48.5 1.2 2.6