==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUN-97 223L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.P.BALDWIN,W.A.BAASE,X.-J.ZHANG,V.FEHER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 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 . 13 8.0 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 2 1 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 83 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 138.9 43.9 -1.9 8.9 2 2 A N > - 0 0 69 1,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.893 360.0 -85.6-145.4 174.4 40.8 -0.8 10.8 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.845 123.0 49.9 -53.3 -41.5 38.7 2.3 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 112.5 45.2 -67.8 -44.4 40.9 3.7 14.0 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.886 113.9 52.7 -66.2 -37.0 44.0 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.938 113.7 40.0 -62.4 -53.1 42.2 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.4 0.849 109.4 60.7 -67.4 -33.2 41.0 7.9 10.8 8 8 A R H X S+ 0 0 103 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.911 108.2 46.4 -61.5 -33.6 44.2 8.3 12.6 9 9 A I H < S+ 0 0 90 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 115.0 44.9 -72.5 -42.0 45.9 8.6 9.2 10 10 A D H < S+ 0 0 18 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.743 125.6 27.9 -73.3 -28.9 43.3 11.0 7.8 11 11 A E H < S- 0 0 42 -4,-2.3 19,-0.3 1,-0.1 -2,-0.2 0.661 90.8-150.3-106.3 -27.2 43.0 13.4 10.9 12 12 A G < - 0 0 24 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.229 24.8 -84.5 79.6-169.6 46.4 13.2 12.6 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.962 43.4 174.0-141.4 120.5 46.9 13.7 16.3 14 14 A R E -A 28 0A 135 14,-1.8 14,-2.2 -2,-0.4 4,-0.1 -0.996 18.8-166.2-132.2 129.7 47.4 17.1 18.0 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.2 12,-0.2 2,-0.4 0.406 73.2 64.7 -94.8 3.7 47.6 17.7 21.7 16 16 A K E S-C 57 0B 108 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.954 99.4 -88.6-128.3 143.0 47.0 21.4 21.5 17 17 A I E + 0 0 21 39,-2.0 2,-0.3 -2,-0.4 10,-0.2 -0.181 59.1 173.1 -45.6 137.9 43.9 23.3 20.4 18 18 A Y E -A 26 0A 24 8,-3.4 8,-2.8 -4,-0.1 2,-0.5 -0.924 35.6-105.1-145.7 168.6 44.2 23.9 16.7 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.866 33.2-145.3 -99.0 129.7 42.4 25.1 13.7 20 20 A D > - 0 0 47 4,-3.1 3,-1.6 -2,-0.5 -1,-0.0 0.001 43.8 -75.2 -73.0-168.2 41.0 22.6 11.3 21 21 A T T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.645 133.6 45.0 -67.4 -19.0 40.9 23.1 7.6 22 22 A E T 3 S- 0 0 87 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.143 125.1 -97.2-108.3 12.5 37.9 25.4 7.8 23 23 A G S < S+ 0 0 35 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.505 76.2 143.7 85.4 9.6 39.3 27.4 10.7 24 24 A Y - 0 0 71 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.651 57.1-106.8 -89.5 143.9 37.4 25.6 13.4 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.3 -2,-0.3 9,-1.4 -0.413 52.4 159.9 -64.9 123.7 38.9 24.9 16.8 26 26 A T E -AB 18 32A 4 -8,-2.8 -8,-3.4 6,-0.3 2,-0.3 -0.878 18.3-170.0-141.6 164.1 39.7 21.2 17.1 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.4 -2,-0.3 -12,-0.2 -0.945 50.8 5.4-152.7 167.4 41.9 19.0 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.8 -2,-0.3 2,-0.9 -0.283 122.9 -6.5 61.6-127.4 43.2 15.4 19.4 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.671 127.6 -52.6-104.3 75.2 42.2 13.2 16.6 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-0.9 -19,-0.3 -2,-0.2 0.764 83.9 159.6 67.2 30.0 39.9 15.4 14.6 31 31 A H E < -B 27 0A 33 -4,-2.4 -4,-1.6 1,-0.0 -1,-0.2 -0.714 33.2-143.3 -88.4 106.9 37.6 16.3 17.6 32 32 A L E -B 26 0A 68 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.421 19.4-177.6 -66.4 133.3 35.8 19.5 16.7 33 33 A L E - 0 0 16 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.869 58.3 -23.0 -98.6 -44.9 35.3 21.7 19.7 34 34 A T E -B 25 0A 24 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.978 36.9-136.3-164.0 153.0 33.4 24.6 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.0 -11,-0.2 -11,-0.0 0.153 73.5 110.9 -98.0 15.5 32.5 26.5 15.3 36 36 A S S S- 0 0 38 2,-0.2 -11,-0.3 1,-0.1 6,-0.1 -0.741 74.0-129.0 -96.2 139.9 33.0 29.9 17.1 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.569 80.0 101.6 -58.3 -14.7 35.8 32.3 16.4 38 38 A S > - 0 0 51 1,-0.2 4,-1.7 -13,-0.0 -2,-0.2 -0.690 55.1-164.0 -89.6 124.7 36.6 32.4 20.1 39 39 A L H > S+ 0 0 70 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.712 95.5 60.1 -70.5 -21.4 39.4 30.5 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 103.6 47.3 -73.0 -43.7 37.8 31.1 24.9 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.854 114.2 50.7 -61.5 -35.7 34.7 29.3 23.8 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.929 109.0 48.5 -67.7 -48.7 37.0 26.6 22.6 43 43 A K H X S+ 0 0 55 -4,-3.0 4,-1.6 1,-0.2 11,-0.3 0.814 112.0 51.5 -63.6 -26.5 38.9 26.4 25.7 44 44 A S H X S+ 0 0 68 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.956 108.8 48.5 -74.6 -47.9 35.7 26.2 27.5 45 45 A E H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.896 109.1 56.9 -55.7 -42.6 34.3 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.935 107.3 44.6 -57.1 -49.6 37.5 21.6 25.9 47 47 A D H X>S+ 0 0 35 -4,-1.6 4,-2.7 1,-0.2 5,-0.7 0.898 111.7 53.6 -63.3 -38.6 37.3 21.6 29.7 48 48 A K H <5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 112.3 45.6 -60.9 -40.0 33.7 20.6 29.6 49 49 A A H <5S+ 0 0 46 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.876 122.2 34.7 -74.5 -35.7 34.6 17.6 27.3 50 50 A I H <5S- 0 0 15 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.742 100.3-130.9 -91.4 -27.1 37.6 16.5 29.4 51 51 A G T <5S+ 0 0 53 -4,-2.7 2,-0.3 -5,-0.4 -3,-0.2 0.752 73.7 80.1 84.2 20.3 36.2 17.4 32.7 52 52 A R S - 0 0 17 -2,-0.9 3,-0.5 -11,-0.3 -1,-0.2 0.816 33.4-145.8 -94.0 -40.8 43.0 21.9 30.5 55 55 A N T 3 S- 0 0 118 -12,-0.2 -2,-0.1 1,-0.2 -11,-0.1 0.989 73.9 -56.4 63.6 56.9 44.2 25.2 29.4 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-2.0 -17,-0.1 2,-0.4 0.512 118.4 100.2 52.3 16.0 44.0 24.1 25.7 57 57 A V B < +C 16 0B 70 -3,-0.5 2,-0.3 -41,-0.2 -41,-0.2 -0.984 44.9 178.6-132.5 137.4 46.2 21.1 26.1 58 58 A I - 0 0 3 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.818 26.2-111.9-129.5 170.2 45.4 17.4 26.6 59 59 A T > - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.521 33.1-106.7 -96.4 166.5 47.3 14.2 27.0 60 60 A K H > S+ 0 0 105 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.900 121.7 53.7 -54.5 -45.6 47.5 11.3 24.5 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.856 108.7 48.6 -57.0 -43.9 45.3 9.3 26.6 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.839 109.7 51.9 -68.0 -38.9 42.7 12.0 26.6 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -34,-0.4 0.923 110.8 48.5 -65.3 -41.3 42.9 12.4 22.9 64 64 A E H X S+ 0 0 71 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.836 107.8 54.8 -67.9 -32.0 42.3 8.7 22.5 65 65 A K H X S+ 0 0 134 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.950 108.5 46.8 -65.7 -47.2 39.4 8.8 24.8 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.906 111.7 54.1 -58.3 -40.8 37.7 11.5 22.8 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.921 106.3 50.2 -61.4 -46.5 38.5 9.4 19.7 68 68 A N H X S+ 0 0 96 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.925 112.6 48.2 -57.6 -43.9 36.8 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.926 111.7 49.2 -63.2 -44.0 33.7 8.3 22.0 70 70 A D H X S+ 0 0 36 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.872 110.4 48.6 -64.8 -40.2 33.5 9.9 18.5 71 71 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.940 113.5 47.8 -67.1 -43.8 33.9 6.7 16.5 72 72 A D H X S+ 0 0 85 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.940 111.9 49.9 -61.6 -44.7 31.2 5.1 18.7 73 73 A A H X S+ 0 0 44 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.907 109.5 52.1 -60.1 -41.9 28.9 8.1 18.2 74 74 A A H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.953 111.6 45.6 -59.3 -52.0 29.4 8.0 14.5 75 75 A V H X S+ 0 0 36 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.946 114.7 46.5 -57.7 -50.6 28.5 4.4 14.2 76 76 A R H X S+ 0 0 115 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.921 110.9 54.8 -60.8 -36.5 25.5 4.7 16.5 77 77 A G H >X S+ 0 0 1 -4,-2.7 4,-1.1 -5,-0.3 3,-0.8 0.934 108.8 46.7 -60.7 -46.8 24.5 7.8 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 7,-0.3 0.939 109.9 53.8 -59.9 -45.7 24.6 5.9 11.3 79 79 A L H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.647 111.5 46.3 -66.9 -12.8 22.6 3.0 12.7 80 80 A R H << S+ 0 0 174 -4,-0.9 2,-0.5 -3,-0.8 -1,-0.3 0.552 90.3 98.6-100.2 -19.7 19.9 5.4 13.8 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.5 -6,-0.2 3,-0.4 0.856 101.3 68.0 -84.7 -37.2 22.1 6.0 6.3 85 85 A K H X S+ 0 0 84 -4,-3.2 4,-2.9 -7,-0.3 5,-0.2 0.895 98.2 50.3 -50.7 -50.7 21.3 2.7 7.9 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.860 112.1 49.0 -59.6 -36.2 20.1 0.9 4.7 87 87 A V H >> S+ 0 0 4 -4,-0.5 4,-0.7 -3,-0.4 3,-0.6 0.967 111.9 48.6 -67.6 -50.1 23.2 2.0 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.909 109.9 52.1 -54.5 -46.7 25.4 0.8 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.779 105.0 56.0 -64.5 -28.7 23.6 -2.5 5.9 90 90 A S H << S+ 0 0 35 -4,-1.1 -1,-0.3 -3,-0.6 2,-0.2 0.611 95.4 90.0 -81.6 -8.5 24.0 -3.2 2.2 91 91 A L S << S- 0 0 7 -3,-1.3 31,-0.0 -4,-0.7 30,-0.0 -0.576 73.7-118.5 -96.2 159.6 27.8 -2.8 2.3 92 92 A D > - 0 0 53 -2,-0.2 4,-1.7 1,-0.1 -1,-0.1 -0.188 46.7 -93.0 -73.8 169.3 30.8 -5.1 2.8 93 93 A A H > S+ 0 0 75 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.877 119.6 48.0 -60.0 -44.4 33.1 -4.4 5.7 94 94 A V H >> S+ 0 0 27 62,-0.2 4,-1.5 1,-0.2 3,-0.7 0.960 112.0 48.5 -62.6 -51.8 35.7 -2.2 4.1 95 95 A R H 3> S+ 0 0 23 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.860 105.1 60.3 -58.9 -32.5 33.3 0.1 2.4 96 96 A R H 3X S+ 0 0 76 -4,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.881 101.3 54.9 -61.4 -37.1 31.4 0.4 5.7 97 97 A C H S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.813 130.2 52.1 -60.4 -38.9 25.3 12.7 9.4 109 109 A T H > S+ 0 0 125 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.934 108.3 50.0 -67.1 -48.1 23.6 15.6 7.8 110 110 A G H >< S+ 0 0 31 -4,-0.8 3,-0.7 1,-0.2 -2,-0.2 0.940 115.6 43.9 -57.5 -47.5 26.6 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.7 3,-2.4 1,-0.2 -1,-0.2 0.921 103.8 61.7 -66.1 -42.8 26.7 12.8 4.5 112 112 A A H 3< S+ 0 0 17 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.788 92.5 71.0 -54.5 -24.6 23.0 12.4 4.0 113 113 A G T << S+ 0 0 61 -4,-1.2 3,-0.3 -3,-0.7 -1,-0.3 0.505 77.0 78.3 -69.1 -6.4 23.4 15.2 1.3 114 114 A F <> + 0 0 33 -3,-2.4 4,-3.3 1,-0.2 5,-0.4 -0.078 59.0 146.4 -94.7 37.7 25.2 12.7 -0.9 115 115 A T H > + 0 0 83 -3,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.859 68.3 44.9 -37.3 -56.1 21.8 11.3 -1.8 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.930 114.8 45.3 -61.4 -49.1 22.7 10.5 -5.3 117 117 A S H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.870 112.2 54.2 -62.4 -40.1 26.0 8.9 -4.5 118 118 A L H X S+ 0 0 15 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.888 104.2 54.1 -64.2 -39.2 24.5 7.0 -1.7 119 119 A R H X S+ 0 0 124 -4,-2.1 4,-1.4 -5,-0.4 -1,-0.2 0.917 108.6 49.4 -64.7 -33.3 21.9 5.6 -3.9 120 120 A M H <>S+ 0 0 27 -4,-1.6 5,-2.0 2,-0.2 -1,-0.2 0.886 106.5 54.6 -71.1 -38.1 24.6 4.3 -6.3 121 121 A L H ><5S+ 0 0 7 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.921 106.4 54.0 -59.2 -40.5 26.5 2.7 -3.5 122 122 A Q H 3<5S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.890 107.7 48.6 -63.1 -33.1 23.4 0.9 -2.6 123 123 A Q T 3<5S- 0 0 85 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.300 113.0-120.5 -88.8 9.5 23.1 -0.4 -6.2 124 124 A K T < 5 + 0 0 101 -3,-1.8 2,-1.3 1,-0.2 -3,-0.2 0.708 63.9 145.6 55.6 32.7 26.7 -1.5 -6.1 125 125 A R >< + 0 0 110 -5,-2.0 4,-2.0 1,-0.2 5,-0.2 -0.675 23.1 176.6 -94.5 72.3 27.6 0.7 -9.0 126 126 A W H > + 0 0 47 -2,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.887 68.5 44.2 -49.5 -55.0 31.1 1.5 -7.7 127 127 A D H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 112.8 51.6 -63.5 -41.1 32.7 3.6 -10.4 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 108.2 50.9 -64.6 -42.4 29.6 5.8 -10.9 129 129 A A H X S+ 0 0 7 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.880 108.5 52.4 -60.1 -41.3 29.3 6.6 -7.3 130 130 A A H X S+ 0 0 14 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.884 110.1 48.2 -63.3 -40.9 33.0 7.6 -7.1 131 131 A V H < S+ 0 0 91 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.929 113.9 46.7 -67.2 -43.4 32.7 9.9 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.951 108.2 53.6 -65.4 -48.9 29.5 11.5 -8.5 133 133 A G H 3< S+ 0 0 7 -4,-3.3 6,-0.3 1,-0.3 -1,-0.2 0.809 99.1 66.3 -57.9 -24.1 30.9 11.9 -5.0 134 134 A A T 3< S+ 0 0 25 -4,-1.2 2,-1.6 -3,-0.2 -1,-0.3 0.679 83.7 78.1 -71.1 -16.7 33.9 13.8 -6.5 135 135 A K S < S+ 0 0 157 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.2 -0.557 80.7 95.2 -91.6 72.4 31.6 16.6 -7.5 136 136 A S S > S- 0 0 19 -2,-1.6 4,-1.7 1,-0.1 5,-0.2 -0.987 85.3-111.6-155.2 163.2 31.3 18.1 -4.2 137 137 A R H > S+ 0 0 153 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.900 115.3 62.0 -62.6 -41.4 32.6 20.8 -2.0 138 138 A W H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.910 105.3 46.0 -49.8 -49.4 34.1 18.1 0.2 139 139 A Y H 4 S+ 0 0 56 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.4 48.5 -63.9 -42.6 36.3 16.9 -2.6 140 140 A N H < S+ 0 0 112 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.785 114.3 46.2 -69.8 -30.0 37.4 20.4 -3.7 141 141 A Q H < S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 130.5 15.9 -81.5 -40.1 38.3 21.4 -0.1 142 142 A T S X S+ 0 0 24 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 -0.633 73.6 165.7-136.7 71.9 40.3 18.2 1.1 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.850 70.5 50.0 -59.9 -45.3 41.1 16.5 -2.1 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.948 116.3 42.6 -64.6 -45.6 43.8 14.0 -0.9 145 145 A R H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.948 115.6 49.8 -62.8 -48.1 41.6 12.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.920 108.6 53.8 -55.0 -45.2 38.5 12.7 -0.3 147 147 A K H X S+ 0 0 93 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.872 107.0 51.1 -58.2 -40.5 40.5 10.7 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.7 4,-1.4 -3,-0.2 12,-0.2 0.916 113.6 43.8 -63.3 -45.0 41.5 8.1 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.902 113.2 51.9 -66.4 -43.1 37.9 7.6 0.9 150 150 A I H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.889 108.9 49.5 -61.5 -41.4 36.5 7.6 -2.7 151 151 A T H X S+ 0 0 40 -4,-2.1 4,-2.9 -5,-0.2 6,-0.4 0.854 107.4 56.1 -67.2 -32.6 39.0 4.9 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.933 110.4 44.1 -62.6 -44.0 38.0 2.9 -0.7 153 153 A F H < S+ 0 0 18 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.861 115.7 48.9 -68.0 -38.8 34.4 3.0 -1.9 154 154 A R H < S+ 0 0 92 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.951 125.3 24.7 -68.8 -49.1 35.3 2.2 -5.5 155 155 A T H < S- 0 0 45 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.635 85.7-137.8 -94.8 -17.6 37.6 -0.7 -4.8 156 156 A G S < S+ 0 0 15 -4,-2.5 2,-0.2 -5,-0.3 -62,-0.2 0.710 71.7 101.5 66.5 17.5 36.4 -2.1 -1.5 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.803 80.1-117.8-125.8 176.4 40.1 -2.6 -0.4 158 158 A W S >> S+ 0 0 39 -2,-0.2 3,-2.3 1,-0.2 4,-0.6 0.167 73.0 119.9 -97.7 13.2 42.6 -0.6 1.9 159 159 A D G >4 + 0 0 95 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.834 65.6 58.1 -46.7 -45.6 45.0 0.2 -0.9 160 160 A A G 34 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.675 110.9 46.3 -62.7 -17.5 44.7 4.0 -0.6 161 161 A Y G <4 0 0 18 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.464 360.0 360.0-106.3 -1.6 45.8 3.6 2.8 162 162 A K << 0 0 170 -3,-1.5 -2,-0.2 -4,-0.6 -3,-0.1 0.816 360.0 360.0-103.8 360.0 48.7 1.3 2.4