==== 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 (O-GLYCOSYL) 01-MAY-89 1L27 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.A.BELL,S.DAO-PIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 . 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 . 88 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 0 1 3 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 75 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 152.0 36.9 -23.5 9.0 2 2 A N > - 0 0 69 95,-0.0 4,-2.4 1,-0.0 3,-0.2 -0.862 360.0 -85.6-147.8 172.3 34.7 -21.0 10.9 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.826 123.8 51.5 -52.6 -41.8 34.4 -17.2 11.4 4 4 A F H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.6 44.3 -64.4 -47.3 37.0 -17.1 14.1 5 5 A E H > S+ 0 0 91 1,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.894 113.5 53.1 -63.5 -41.1 39.7 -19.0 12.2 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.917 112.3 42.6 -59.4 -52.5 38.9 -16.9 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.806 108.9 58.7 -67.3 -30.7 39.3 -13.6 10.9 8 8 A R H X S+ 0 0 106 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.903 107.5 48.3 -65.7 -33.7 42.4 -14.9 12.7 9 9 A I H < S+ 0 0 53 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.947 115.4 43.5 -70.1 -44.5 44.0 -15.5 9.4 10 10 A D H < S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.793 124.4 30.4 -70.9 -34.6 43.0 -12.1 8.0 11 11 A E H < S- 0 0 33 -4,-2.2 19,-0.3 1,-0.1 -1,-0.2 0.669 90.9-148.9 -98.7 -29.4 43.9 -9.9 11.0 12 12 A G < - 0 0 19 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.223 24.0 -89.4 82.1-177.6 46.8 -11.7 12.7 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.968 42.5 173.9-134.4 123.5 47.4 -11.6 16.5 14 14 A R E -A 28 0A 131 14,-1.4 14,-2.5 -2,-0.4 4,-0.1 -0.998 18.1-164.8-134.0 125.1 49.6 -8.9 18.1 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.391 73.7 62.8 -89.9 -0.6 50.0 -8.5 21.9 16 16 A K E S-C 57 0B 107 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.925 101.7 -86.6-122.5 146.7 51.5 -5.0 21.8 17 17 A I E + 0 0 22 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.234 58.8 172.5 -49.9 137.7 49.8 -1.8 20.5 18 18 A Y E -A 26 0A 29 8,-3.0 8,-2.7 -4,-0.1 2,-0.4 -0.891 34.6-105.8-142.8 169.4 50.3 -1.5 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.871 34.2-137.6-101.2 136.4 49.2 0.6 13.8 20 20 A D > - 0 0 49 4,-2.6 3,-2.0 -2,-0.4 -1,-0.1 -0.091 39.8 -82.2 -78.6-172.4 46.8 -1.0 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.817 134.4 50.0 -63.3 -28.7 47.0 -0.7 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.429 124.0-104.2 -86.1 -2.3 45.3 2.7 7.9 23 23 A G S < S+ 0 0 35 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.557 74.5 141.2 89.4 14.0 47.7 3.9 10.6 24 24 A Y - 0 0 82 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.674 60.6-100.8 -94.7 150.2 45.3 3.5 13.5 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.1 11,-0.4 9,-1.3 -0.453 55.2 159.4 -67.5 122.9 46.1 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-2.7 -8,-3.0 6,-0.3 2,-0.3 -0.875 19.5-170.7-138.5 163.1 45.1 -1.5 17.3 27 27 A I E > + B 0 31A 0 4,-1.3 4,-1.9 -2,-0.3 -12,-0.2 -0.969 52.4 2.1-153.4 161.5 45.8 -4.5 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.4 -2,-0.3 2,-0.9 -0.381 122.7 -5.0 70.5-132.8 45.1 -8.2 19.5 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.652 127.1 -53.9-100.5 73.9 43.1 -9.6 16.6 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.767 83.1 160.3 66.5 27.3 42.2 -6.5 14.7 31 31 A H E < -B 27 0A 35 -4,-1.9 -4,-1.3 1,-0.0 -1,-0.2 -0.702 33.6-142.6 -84.6 100.5 40.7 -4.6 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.350 19.3-176.2 -59.4 129.6 40.7 -0.9 16.8 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.901 58.5 -24.9 -94.1 -49.1 41.5 1.2 19.8 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.972 36.2-138.4-159.7 150.2 41.2 4.8 18.5 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.468 75.5 113.2 -88.7 -1.8 41.5 6.8 15.3 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.396 71.9-132.6 -73.9 145.3 43.3 9.4 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.616 76.0 101.2 -75.4 -7.9 47.0 10.1 16.7 38 38 A S > - 0 0 49 1,-0.2 4,-1.9 2,-0.0 3,-0.2 -0.676 56.4-160.7 -88.4 120.5 47.9 9.9 20.3 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.744 99.7 58.4 -61.4 -21.8 49.6 6.7 21.6 40 40 A N H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 101.0 49.3 -74.8 -44.5 48.4 8.1 24.9 41 41 A A H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.855 113.1 52.2 -59.1 -35.1 44.8 8.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.859 105.8 50.6 -69.6 -43.3 45.4 4.6 22.7 43 43 A K H X S+ 0 0 52 -4,-2.1 4,-1.8 1,-0.2 11,-0.3 0.874 111.1 50.7 -65.8 -30.3 46.9 3.4 25.9 44 44 A S H X S+ 0 0 73 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.885 108.8 49.2 -72.9 -43.0 43.9 4.9 27.8 45 45 A E H X S+ 0 0 66 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.908 110.6 53.9 -62.3 -40.4 41.3 3.2 25.6 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.926 107.8 47.0 -59.1 -48.1 43.2 -0.1 26.1 47 47 A D H X>S+ 0 0 37 -4,-1.8 4,-2.2 1,-0.2 5,-0.8 0.887 112.7 50.9 -63.6 -36.1 43.1 0.1 29.8 48 48 A K H <5S+ 0 0 146 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.876 111.1 49.4 -65.3 -39.5 39.5 1.0 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 120.1 33.5 -70.8 -37.1 38.8 -2.0 27.4 50 50 A I H <5S- 0 0 39 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.719 100.4-125.3 -92.7 -27.8 40.7 -4.6 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.725 78.6 75.9 87.1 19.4 39.9 -3.2 33.0 52 52 A R S - 0 0 8 -2,-0.9 3,-1.1 -11,-0.3 -1,-0.2 0.728 31.7-144.9 -95.8 -26.6 48.2 -2.6 30.6 55 55 A N T 3 S- 0 0 129 1,-0.3 -2,-0.1 -12,-0.2 3,-0.1 0.917 75.1 -52.6 61.2 43.3 50.9 -0.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.553 119.7 97.5 74.4 4.7 50.3 -1.1 26.0 57 57 A V B < +C 16 0B 59 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.973 45.2 179.2-133.7 143.4 50.5 -4.8 26.4 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.856 25.4-113.2-132.8 165.7 48.0 -7.7 26.8 59 59 A T > - 0 0 65 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.493 34.6-104.8 -91.7 168.1 48.0 -11.5 27.1 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 121.6 54.8 -56.2 -47.2 46.7 -14.0 24.7 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.854 107.8 48.4 -52.5 -45.9 43.6 -14.6 26.8 62 62 A E H > S+ 0 0 37 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.862 110.1 53.0 -67.4 -36.2 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -34,-0.4 0.898 110.0 47.2 -64.8 -43.8 43.2 -10.8 23.0 64 64 A E H X S+ 0 0 77 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.795 108.1 55.8 -68.2 -32.6 40.8 -13.6 22.6 65 65 A K H X S+ 0 0 138 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.974 109.3 45.5 -64.2 -49.4 38.3 -12.1 24.9 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.889 111.8 55.1 -55.3 -40.6 38.2 -8.8 22.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.941 106.1 49.4 -62.2 -47.3 38.0 -11.0 19.8 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.940 112.8 48.4 -56.2 -47.4 34.9 -12.9 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.891 111.2 50.0 -59.2 -43.3 33.2 -9.5 21.9 70 70 A D H X S+ 0 0 37 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.849 110.6 47.5 -65.5 -39.0 34.0 -8.0 18.5 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.943 113.3 50.0 -66.8 -46.2 32.6 -11.0 16.5 72 72 A D H X S+ 0 0 86 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.929 112.0 46.9 -54.2 -50.7 29.5 -11.0 18.7 73 73 A A H X S+ 0 0 43 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.882 110.0 54.3 -62.1 -38.9 29.0 -7.3 18.1 74 74 A A H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.955 112.0 43.4 -59.8 -52.9 29.6 -7.7 14.3 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.935 114.9 48.8 -55.8 -50.6 26.9 -10.3 14.1 76 76 A R H X S+ 0 0 111 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.890 109.4 54.7 -60.4 -37.0 24.4 -8.3 16.3 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.921 107.5 47.8 -66.0 -42.1 25.1 -5.3 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 7,-0.5 0.914 111.2 52.0 -59.4 -44.2 24.2 -7.1 11.0 79 79 A L H 3< S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 110.4 49.1 -69.5 -20.5 21.0 -8.4 12.7 80 80 A R H 3< S+ 0 0 170 -4,-1.5 2,-0.7 -3,-0.2 -1,-0.3 0.469 94.5 82.6 -94.0 -13.6 20.0 -4.9 13.7 81 81 A N S S+ 0 0 72 -2,-0.7 4,-1.8 1,-0.2 5,-0.2 0.895 96.4 42.0 -46.1 -58.7 17.6 -3.7 8.0 83 83 A K H > S+ 0 0 140 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.935 118.8 46.2 -57.8 -49.4 19.6 -3.8 4.8 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.922 109.3 53.3 -61.2 -51.8 22.3 -6.0 6.2 85 85 A K H X S+ 0 0 73 -4,-3.0 4,-2.8 -7,-0.5 5,-0.2 0.860 104.9 54.6 -52.8 -43.1 19.8 -8.5 7.9 86 86 A D H X S+ 0 0 95 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.920 112.5 43.2 -62.6 -41.1 17.9 -9.1 4.7 87 87 A V H X S+ 0 0 2 -4,-1.4 4,-0.8 2,-0.2 3,-0.5 0.948 113.4 51.5 -65.7 -48.9 21.1 -10.0 2.9 88 88 A Y H >< S+ 0 0 36 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.938 108.3 51.1 -52.0 -50.9 22.4 -12.1 5.8 89 89 A D H 3< S+ 0 0 78 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 108.0 54.2 -61.0 -28.8 19.2 -14.1 6.0 90 90 A S H 3< S+ 0 0 34 -4,-1.0 -1,-0.3 -3,-0.5 2,-0.2 0.627 95.9 88.8 -79.9 -16.0 19.3 -14.8 2.3 91 91 A L S << S- 0 0 6 -3,-1.5 31,-0.0 -4,-0.8 30,-0.0 -0.595 74.7-117.2 -90.0 158.4 22.8 -16.3 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 -1,-0.1 -0.126 44.9 -92.7 -72.8 171.0 24.2 -19.8 2.9 93 93 A A H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.886 122.4 45.8 -59.0 -44.2 26.5 -20.5 5.9 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.1 2,-0.2 3,-0.4 0.936 113.1 49.1 -64.9 -47.9 29.9 -19.9 4.2 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.847 103.5 61.8 -61.9 -32.5 28.8 -16.6 2.5 96 96 A R H X S+ 0 0 81 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.916 100.5 54.6 -58.2 -40.9 27.4 -15.4 5.8 97 97 A C H X S+ 0 0 18 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.849 103.6 55.4 -59.5 -39.3 31.0 -15.6 7.1 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.880 108.6 47.0 -61.8 -41.7 32.2 -13.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.883 110.4 52.3 -68.8 -37.5 29.7 -10.7 5.2 100 100 A I H X S+ 0 0 7 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.932 106.8 53.8 -62.8 -42.0 30.6 -10.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.950 108.7 48.9 -57.2 -48.7 34.3 -10.5 7.9 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.919 112.0 48.8 -56.7 -46.1 33.5 -7.2 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.888 108.9 52.6 -63.4 -39.5 31.5 -5.8 8.9 104 104 A F H < S+ 0 0 31 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.929 117.0 39.5 -63.3 -41.0 34.3 -6.6 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 132.6 18.5 -73.0 -48.0 36.8 -4.8 9.1 106 106 A M H X S- 0 0 53 -4,-3.1 4,-0.6 -5,-0.2 -3,-0.2 0.515 102.0-114.0-114.5 2.6 34.8 -1.9 8.0 107 107 A G H X - 0 0 31 -4,-2.0 4,-2.1 -5,-0.3 5,-0.2 0.158 34.2 -81.2 78.3 152.7 31.9 -1.4 10.3 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.871 127.4 51.8 -54.3 -46.7 28.1 -1.7 9.6 109 109 A T H > S+ 0 0 120 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.944 108.5 49.7 -62.5 -48.7 27.9 1.7 8.1 110 110 A G H < S+ 0 0 33 -4,-0.6 3,-0.3 2,-0.2 -1,-0.2 0.873 114.2 43.8 -56.1 -46.8 30.7 1.1 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.908 106.7 60.7 -69.5 -39.1 29.3 -2.2 4.5 112 112 A A H 3< S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 94.3 66.4 -59.6 -23.4 25.8 -0.8 4.3 113 113 A G T 3< S+ 0 0 56 -4,-1.1 2,-1.4 -3,-0.3 -1,-0.3 0.624 76.4 86.0 -70.8 -14.5 27.2 1.7 1.8 114 114 A F <> + 0 0 38 -3,-2.5 4,-2.3 1,-0.2 3,-0.4 -0.195 56.2 157.8 -82.1 50.9 27.9 -1.1 -0.7 115 115 A T H > + 0 0 91 -2,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.819 65.8 44.0 -39.3 -58.0 24.3 -0.8 -2.0 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.855 114.4 48.2 -62.3 -44.5 24.7 -2.4 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.827 109.5 54.1 -62.7 -43.4 26.9 -5.3 -4.3 118 118 A L H X S+ 0 0 14 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.879 108.2 49.7 -58.2 -42.7 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.927 111.7 49.1 -64.1 -45.8 21.5 -6.2 -4.1 120 120 A M H <>S+ 0 0 26 -4,-2.0 5,-2.4 1,-0.2 -2,-0.2 0.913 110.1 49.4 -61.9 -45.2 23.5 -8.6 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.943 110.0 52.4 -60.2 -44.6 24.4 -10.9 -3.4 122 122 A Q H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.890 109.9 49.1 -57.8 -36.9 20.7 -11.0 -2.4 123 123 A Q T 3<5S- 0 0 89 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.419 113.7-122.2 -82.4 1.8 19.9 -11.9 -5.9 124 124 A K T < 5 + 0 0 96 -3,-2.2 2,-1.2 -4,-0.2 -3,-0.2 0.750 60.2 148.7 59.7 34.3 22.5 -14.6 -5.8 125 125 A R >< + 0 0 119 -5,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.699 20.1 175.9 -98.0 79.7 24.4 -13.2 -8.8 126 126 A W H > S+ 0 0 50 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.881 70.2 43.7 -55.9 -50.3 27.8 -14.4 -7.6 127 127 A D H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 114.7 49.6 -66.6 -41.7 30.0 -13.4 -10.5 128 128 A E H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 110.2 49.7 -66.1 -42.9 28.5 -10.0 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.846 107.4 55.2 -63.9 -35.7 28.7 -9.2 -7.3 130 130 A A H X S+ 0 0 12 -4,-1.6 4,-1.1 -5,-0.2 -2,-0.2 0.911 109.4 47.3 -61.8 -43.1 32.4 -10.2 -7.2 131 131 A V H X S+ 0 0 90 -4,-1.8 4,-0.5 1,-0.2 3,-0.4 0.930 113.7 47.6 -65.1 -45.3 33.2 -7.8 -10.0 132 132 A N H >< S+ 0 0 42 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.879 107.6 54.4 -64.2 -41.1 31.3 -5.0 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.4 1,-0.2 -1,-0.2 0.817 100.2 62.5 -62.4 -31.4 32.9 -5.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.1 2,-1.5 -3,-0.4 -1,-0.2 0.678 86.0 78.2 -68.8 -19.0 36.4 -5.1 -6.5 135 135 A K S << S+ 0 0 156 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.541 80.5 96.7 -88.6 64.0 35.5 -1.5 -7.5 136 136 A S S > S- 0 0 19 -2,-1.5 4,-2.0 1,-0.1 3,-0.2 -0.993 85.3-116.6-149.9 155.6 36.1 -0.1 -4.1 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.924 115.3 64.0 -55.7 -44.0 38.7 1.7 -2.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.898 105.2 42.5 -43.5 -54.7 38.6 -1.4 0.2 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.880 115.3 49.5 -65.2 -43.2 39.9 -3.7 -2.6 140 140 A N H < S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.846 114.9 44.3 -67.4 -32.2 42.5 -1.2 -3.7 141 141 A Q H < S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.844 131.2 17.4 -80.8 -41.6 43.8 -0.7 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 -0.561 73.7 164.4-131.2 68.9 43.9 -4.3 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.830 69.6 51.0 -59.1 -40.1 43.8 -6.4 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.932 115.9 41.3 -68.2 -44.8 44.9 -9.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 115.4 51.0 -63.4 -48.9 42.4 -9.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.930 109.0 52.2 -55.3 -44.1 39.6 -8.4 -0.2 147 147 A K H X S+ 0 0 91 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.873 107.0 52.4 -60.5 -39.8 40.3 -11.1 -2.8 148 148 A R H X S+ 0 0 52 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.942 114.0 42.6 -60.4 -47.3 40.0 -13.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.918 113.7 52.1 -63.0 -45.0 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.917 108.4 50.3 -57.9 -46.8 35.5 -11.9 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.5 4,-2.8 1,-0.2 6,-0.4 0.859 107.2 55.9 -60.7 -37.2 36.3 -15.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.906 111.4 42.1 -63.3 -40.3 34.4 -16.6 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.5 51.8 -73.4 -36.8 31.3 -14.8 -1.9 154 154 A R H < S+ 0 0 99 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 124.8 21.4 -61.8 -51.4 31.9 -15.9 -5.4 155 155 A T H < S- 0 0 43 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.618 85.1-134.8 -95.8 -24.0 32.3 -19.6 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.1 2,-0.2 -5,-0.3 -62,-0.2 0.763 73.6 101.0 69.2 23.5 30.6 -20.3 -1.4 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.813 80.8-118.0-130.0 174.4 33.6 -22.4 -0.3 158 158 A W S >> S+ 0 0 27 -2,-0.2 3,-1.7 1,-0.2 4,-0.6 0.165 71.9 121.2 -99.2 18.0 36.6 -21.9 1.9 159 159 A D G >4 + 0 0 99 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.806 66.2 60.0 -51.1 -35.8 39.1 -22.4 -0.9 160 160 A A G 34 S+ 0 0 13 -3,-0.3 -1,-0.2 1,-0.3 4,-0.2 0.718 112.6 39.1 -67.9 -20.0 40.7 -19.0 -0.5 161 161 A Y G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.423 94.7 80.2-107.3 -5.1 41.7 -19.8 3.0 162 162 A K S << S+ 0 0 137 -3,-0.9 -2,-0.1 -4,-0.6 -1,-0.1 0.429 93.1 54.2 -89.0 1.1 42.7 -23.5 2.7 163 163 A N 0 0 127 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.832 360.0 360.0 -76.5 -57.7 45.9 -22.4 1.4 164 164 A L 0 0 119 -4,-0.2 -2,-0.2 0, 0.0 -3,-0.1 0.519 360.0 360.0 -70.0 360.0 46.7 -20.2 4.4