==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 15-OCT-93 141L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 7.4 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 . 86 53.1 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 78 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 154.0 43.7 -1.9 9.0 2 2 A N > - 0 0 69 1,-0.1 4,-2.9 156,-0.0 5,-0.2 -0.965 360.0 -82.7-156.1 173.9 40.5 -0.8 10.7 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.842 123.5 49.6 -49.9 -46.1 38.3 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 114.6 43.2 -63.9 -47.6 40.5 3.6 14.2 5 5 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.915 114.3 52.2 -62.6 -42.7 43.7 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.932 113.0 42.3 -58.9 -50.2 42.1 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.844 109.4 58.6 -70.8 -30.4 40.8 7.8 10.9 8 8 A R H X S+ 0 0 110 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.887 107.4 48.7 -66.3 -30.4 43.9 8.3 12.9 9 9 A I H < S+ 0 0 89 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.939 115.2 42.8 -72.0 -44.1 45.7 8.5 9.6 10 10 A D H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.829 124.2 32.4 -71.2 -37.4 43.2 11.0 8.1 11 11 A E H < S- 0 0 47 -4,-2.9 19,-0.3 -5,-0.2 -1,-0.2 0.733 90.8-153.5 -94.4 -26.7 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.4 2,-0.3 -5,-0.5 -1,-0.2 -0.285 23.7 -87.5 79.8-170.5 46.3 13.1 12.8 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.943 41.3 172.6-145.6 120.9 46.8 13.7 16.5 14 14 A R E -A 28 0A 137 14,-1.6 14,-2.1 -2,-0.3 4,-0.1 -0.996 21.9-160.6-133.4 132.5 47.4 17.0 18.2 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.456 74.8 65.8 -89.5 -4.6 47.6 17.7 21.9 16 16 A K E S-C 57 0B 139 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.862 97.7 -90.0-119.5 153.8 46.9 21.4 21.7 17 17 A I E + 0 0 30 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.307 58.2 172.0 -57.0 137.2 43.9 23.3 20.5 18 18 A Y E -A 26 0A 27 8,-3.7 8,-3.9 -4,-0.1 2,-0.5 -0.908 34.8-105.2-142.4 175.9 44.1 23.9 16.8 19 19 A K E -A 25 0A 130 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.862 35.0-138.1-105.5 131.3 42.2 25.1 13.8 20 20 A D > - 0 0 51 4,-2.4 3,-1.1 -2,-0.5 -1,-0.1 0.083 39.8 -81.4 -73.2-167.7 40.9 22.6 11.3 21 21 A T T 3 S+ 0 0 114 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.766 134.7 47.6 -67.4 -24.8 40.9 22.8 7.6 22 22 A E T 3 S- 0 0 84 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.353 124.2-101.4 -95.0 -0.6 37.7 25.0 7.8 23 23 A G S < S+ 0 0 36 -3,-1.1 2,-0.4 1,-0.3 -2,-0.1 0.526 75.2 140.5 91.3 13.0 39.2 27.3 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.725 60.1-102.7 -97.5 142.8 37.3 25.7 13.5 25 25 A Y E +AB 19 34A 36 9,-0.6 8,-2.9 11,-0.4 9,-1.3 -0.274 55.3 158.8 -59.6 125.1 38.7 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.9 -8,-3.7 6,-0.2 2,-0.3 -0.917 19.1-170.5-141.3 171.2 39.6 21.4 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-1.7 -2,-0.3 2,-0.3 -0.993 49.1 3.1-159.0 163.3 41.8 19.1 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.6 -2,-0.3 2,-0.9 -0.449 121.4 -4.8 67.8-125.8 43.1 15.5 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.1 -0.653 128.2 -52.7-107.8 75.0 42.1 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.681 84.4 161.3 70.1 21.7 39.8 15.4 14.7 31 31 A H E < -B 27 0A 31 -4,-1.7 -4,-1.7 1,-0.0 -1,-0.2 -0.583 32.0-144.0 -81.0 105.4 37.6 16.3 17.8 32 32 A L E -B 26 0A 76 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.413 20.1-179.0 -67.5 127.0 35.6 19.4 16.8 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.892 56.9 -27.9 -94.5 -45.4 35.2 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.972 33.0-138.4-165.3 159.3 33.2 24.6 18.4 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.571 73.8 107.8 -96.6 -17.5 32.4 26.6 15.3 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.294 74.9-129.6 -61.3 145.0 32.6 29.9 17.2 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.534 76.5 105.0 -76.9 -5.4 35.6 32.1 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-1.7 -13,-0.0 5,-0.1 -0.639 56.7-158.8 -86.8 126.1 36.3 32.5 20.2 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.803 95.3 56.9 -68.3 -30.4 39.2 30.7 21.7 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.953 103.5 51.5 -68.1 -44.9 37.6 31.0 25.1 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 110.7 50.6 -57.2 -36.6 34.5 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.895 109.0 50.6 -68.9 -37.4 36.8 26.6 22.6 43 43 A K H X S+ 0 0 65 -4,-2.3 4,-2.3 2,-0.2 11,-0.2 0.907 109.3 51.0 -68.2 -35.5 38.6 26.3 26.0 44 44 A S H X S+ 0 0 77 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.942 110.5 49.0 -66.2 -43.0 35.3 26.1 27.8 45 45 A E H X S+ 0 0 66 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.909 109.8 51.6 -61.9 -44.1 34.1 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.916 111.5 46.5 -60.4 -45.0 37.3 21.4 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.3 4,-2.9 1,-0.2 5,-1.1 0.943 112.5 50.3 -65.3 -42.5 37.2 21.6 29.8 48 48 A K H <5S+ 0 0 141 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.886 112.3 47.9 -60.0 -40.6 33.6 20.6 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.876 120.2 36.4 -68.2 -38.1 34.5 17.6 27.4 50 50 A I H <5S- 0 0 35 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.777 102.8-122.9 -88.1 -34.9 37.4 16.4 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.9 2,-0.3 1,-0.4 -3,-0.2 0.778 78.0 68.8 94.8 26.2 36.2 17.1 32.9 52 52 A R S - 0 0 9 -2,-1.0 3,-1.2 -11,-0.2 -1,-0.2 0.768 32.7-143.7 -90.2 -29.7 42.8 22.0 30.8 55 55 A N T 3 S- 0 0 127 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.863 75.3 -58.5 64.9 32.0 44.3 25.3 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.4 1,-0.2 2,-0.4 0.502 115.9 101.7 76.0 7.6 44.0 24.1 26.1 57 57 A V B < +C 16 0B 62 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.970 43.4 179.2-126.9 141.3 46.1 21.0 26.4 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.810 25.3-112.9-128.9 171.5 45.3 17.3 26.8 59 59 A T > - 0 0 57 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.564 33.0-106.2 -98.4 166.5 47.1 14.1 27.1 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 120.6 52.8 -58.6 -43.1 47.3 11.3 24.7 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 109.8 49.1 -61.3 -39.9 45.0 9.1 26.8 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 109.2 52.7 -65.5 -44.6 42.5 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -34,-0.4 0.926 110.8 48.1 -55.3 -47.8 42.7 12.4 23.1 64 64 A E H X S+ 0 0 76 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.786 106.8 54.6 -65.0 -33.3 42.0 8.7 22.6 65 65 A K H X S+ 0 0 136 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.939 108.8 47.9 -70.2 -41.1 39.1 8.7 24.9 66 66 A L H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.909 111.3 53.9 -61.1 -36.9 37.5 11.5 22.9 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.960 105.9 51.1 -61.6 -46.8 38.3 9.5 19.8 68 68 A N H X S+ 0 0 87 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.901 111.2 47.7 -57.2 -43.5 36.6 6.4 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.3 0.897 110.7 53.0 -64.3 -38.7 33.5 8.3 22.0 70 70 A D H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.886 109.2 46.8 -66.6 -39.8 33.5 9.9 18.6 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.951 113.3 49.3 -68.1 -47.1 33.7 6.7 16.6 72 72 A D H X S+ 0 0 84 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.918 111.2 49.6 -56.5 -45.5 31.0 5.2 18.7 73 73 A A H X S+ 0 0 45 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.899 109.7 51.8 -61.7 -41.0 28.8 8.2 18.2 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.948 110.7 47.3 -60.6 -52.8 29.3 8.1 14.5 75 75 A V H X S+ 0 0 32 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.937 115.6 45.0 -52.7 -49.4 28.4 4.5 14.2 76 76 A R H X S+ 0 0 121 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.884 109.3 55.6 -65.7 -38.8 25.3 5.0 16.3 77 77 A G H X S+ 0 0 3 -4,-3.0 4,-0.8 -5,-0.3 3,-0.3 0.939 108.7 48.6 -60.1 -43.0 24.4 8.1 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 7,-0.4 0.948 110.2 51.8 -62.0 -45.2 24.5 6.1 11.2 79 79 A L H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.772 110.6 46.1 -68.1 -22.1 22.4 3.4 12.6 80 80 A R H 3< S+ 0 0 187 -4,-1.7 2,-0.5 -3,-0.3 -1,-0.3 0.515 92.2 99.1 -92.1 -11.8 19.7 5.6 13.8 81 81 A N S+ 0 0 127 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.854 120.5 43.5 -86.8 -32.8 18.7 7.4 5.2 84 84 A L H >> S+ 0 0 0 1,-0.2 4,-2.4 -7,-0.1 3,-0.5 0.900 100.0 67.0 -79.0 -41.1 22.0 6.1 6.4 85 85 A K H 3X S+ 0 0 85 -4,-3.5 4,-2.8 -7,-0.4 5,-0.2 0.862 98.4 50.6 -47.3 -50.5 21.0 2.8 7.9 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.903 111.4 49.0 -62.2 -36.7 20.0 1.0 4.8 87 87 A V H < S+ 0 0 34 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.923 110.1 54.7 -49.8 -46.9 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 106.5 52.2 -60.6 -32.6 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 40 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.670 96.6 89.4 -79.5 -14.7 24.1 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-1.0 31,-0.0 -0.464 73.2-116.5 -87.7 164.9 27.8 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.278 44.4 -91.5 -80.8 168.9 30.8 -4.9 3.1 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.861 121.3 46.1 -57.8 -41.8 33.1 -4.3 6.0 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 113.3 48.6 -68.3 -43.0 35.7 -2.1 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.932 104.2 59.5 -64.9 -36.9 33.1 0.2 2.7 96 96 A R H X S+ 0 0 82 -4,-2.3 4,-2.8 1,-0.3 -1,-0.2 0.929 103.9 53.9 -53.2 -41.1 31.2 0.6 6.0 97 97 A A H X S+ 0 0 8 -4,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.892 104.6 53.6 -63.1 -36.7 34.5 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.893 109.7 47.7 -63.7 -38.8 34.5 4.5 4.5 99 99 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.916 109.6 52.2 -68.7 -41.4 31.0 5.6 5.4 100 100 A I H X S+ 0 0 8 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.925 108.1 53.8 -59.2 -41.4 31.8 6.0 9.1 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.935 108.2 47.0 -58.3 -50.9 34.8 8.1 8.1 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.882 112.9 50.5 -60.3 -39.3 32.8 10.5 6.1 103 103 A V H X S+ 0 0 10 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.948 108.7 52.3 -65.4 -40.2 30.2 10.7 8.9 104 104 A F H < S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.937 115.8 39.9 -58.5 -46.6 33.0 11.4 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.819 132.7 18.2 -74.5 -33.4 34.3 14.3 9.2 106 106 A M H X S- 0 0 50 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.506 100.9-111.5-124.4 -0.5 31.1 15.8 8.1 107 107 A G H X - 0 0 29 -4,-2.9 4,-2.2 -5,-0.3 5,-0.2 0.212 34.2 -83.0 82.1 151.8 28.2 14.8 10.2 108 108 A E H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.820 127.6 54.2 -58.8 -37.5 25.2 12.6 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.942 107.5 50.6 -67.2 -45.8 23.4 15.5 8.0 110 110 A G H < S+ 0 0 30 -4,-0.6 3,-0.5 1,-0.2 -2,-0.2 0.920 115.1 40.9 -57.8 -53.3 26.2 16.2 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.7 1,-0.2 -1,-0.2 0.895 106.0 61.5 -65.8 -39.5 26.5 12.6 4.4 112 112 A A H 3< S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 96.8 67.6 -55.6 -24.3 22.8 12.0 4.3 113 113 A G T 3< S+ 0 0 54 -4,-1.0 2,-1.7 -3,-0.5 3,-0.3 0.666 76.1 80.9 -69.3 -17.3 23.0 14.8 1.7 114 114 A F <> + 0 0 38 -3,-2.7 4,-2.7 1,-0.2 5,-0.3 -0.260 58.6 155.1 -86.2 52.5 24.9 12.7 -0.8 115 115 A T H > + 0 0 83 -2,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.895 65.4 46.6 -46.8 -55.7 21.7 11.2 -1.9 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.922 113.2 47.9 -61.1 -43.2 22.7 10.3 -5.3 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.907 110.3 54.9 -65.4 -32.9 26.0 8.6 -4.3 118 118 A L H X S+ 0 0 14 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.940 106.2 49.6 -64.6 -42.1 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 127 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.942 111.4 49.8 -61.6 -42.0 21.6 5.3 -4.0 120 120 A M H <>S+ 0 0 23 -4,-2.1 5,-2.4 1,-0.2 4,-0.5 0.897 107.6 54.4 -64.5 -39.2 24.5 4.2 -6.2 121 121 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.954 107.3 50.3 -59.3 -48.7 26.2 2.7 -3.2 122 122 A Q H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.897 111.0 47.8 -58.0 -37.6 23.1 0.7 -2.5 123 123 A Q T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.450 112.4-123.8 -82.8 1.3 23.0 -0.5 -6.1 124 124 A K T < 5 + 0 0 101 -3,-1.7 2,-1.2 -4,-0.5 -3,-0.2 0.818 57.5 152.8 62.0 37.5 26.7 -1.4 -5.8 125 125 A R >< + 0 0 110 -5,-2.4 4,-2.3 1,-0.2 -1,-0.2 -0.707 16.4 174.5 -99.7 77.9 27.6 0.8 -8.8 126 126 A W H > + 0 0 44 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.853 69.1 44.6 -54.9 -53.1 31.1 1.5 -7.6 127 127 A D H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 114.9 49.8 -69.0 -31.8 32.6 3.5 -10.5 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 109.5 50.5 -72.9 -40.2 29.6 5.6 -10.9 129 129 A M H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.893 106.4 55.3 -60.4 -40.2 29.5 6.5 -7.3 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.903 108.5 48.7 -63.9 -36.4 33.2 7.4 -7.2 131 131 A V H X S+ 0 0 90 -4,-1.6 4,-0.7 1,-0.2 3,-0.3 0.948 113.3 47.4 -67.6 -43.8 32.5 9.9 -10.0 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.844 106.3 56.0 -65.0 -37.3 29.5 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.3 1,-0.2 -1,-0.2 0.862 101.2 61.2 -65.8 -27.3 31.3 11.7 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-1.9 -3,-0.3 -1,-0.2 0.751 84.5 77.7 -71.4 -22.7 33.9 13.8 -6.6 135 135 A K S << S+ 0 0 159 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 -0.556 81.1 98.1 -86.7 71.6 31.5 16.5 -7.7 136 136 A S S > S- 0 0 19 -2,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.993 82.9-118.8-154.1 157.5 31.3 18.0 -4.3 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.901 114.3 63.5 -61.3 -39.7 32.7 20.8 -2.2 138 138 A W H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 8,-0.2 0.909 105.8 42.8 -49.3 -49.0 34.0 18.1 0.0 139 139 A Y H 4 S+ 0 0 62 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.911 113.8 50.8 -70.0 -40.0 36.2 16.8 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 114.9 43.3 -67.0 -32.0 37.4 20.3 -3.8 141 141 A Q H < S+ 0 0 104 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 131.2 18.6 -82.3 -36.9 38.3 21.4 -0.3 142 142 A T S X S+ 0 0 22 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 -0.560 73.3 163.0-133.8 67.9 40.1 18.2 1.0 143 143 A P H > + 0 0 45 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.831 68.9 54.8 -57.8 -40.9 41.0 16.4 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.947 114.1 40.5 -66.3 -38.5 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.954 113.6 52.4 -71.7 -48.2 41.4 12.7 1.8 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.928 106.9 55.2 -52.3 -42.8 38.4 12.6 -0.4 147 147 A K H X S+ 0 0 90 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.885 106.4 51.4 -57.0 -41.5 40.6 10.6 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.918 112.8 43.9 -61.7 -46.3 41.4 8.0 -0.2 149 149 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.911 112.7 53.5 -63.6 -42.9 37.7 7.5 0.7 150 150 A I H X S+ 0 0 15 -4,-3.0 4,-2.5 -5,-0.3 -2,-0.2 0.923 109.5 47.1 -59.2 -44.3 36.7 7.4 -2.9 151 151 A T H X S+ 0 0 40 -4,-2.4 4,-3.0 -5,-0.2 6,-0.4 0.881 109.1 55.7 -66.3 -34.3 39.2 4.7 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.956 111.3 42.3 -65.1 -43.6 38.0 2.8 -0.7 153 153 A F H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 115.4 50.8 -68.6 -38.3 34.5 2.8 -1.9 154 154 A R H < S+ 0 0 99 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.904 124.1 25.5 -65.0 -45.3 35.5 2.1 -5.4 155 155 A T H < S- 0 0 45 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.566 85.9-136.4 -96.7 -19.6 37.7 -0.9 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.7 2,-0.2 -5,-0.3 -62,-0.2 0.733 73.6 99.7 66.5 20.6 36.4 -2.2 -1.4 157 157 A T S S- 0 0 44 -6,-0.4 3,-0.4 -5,-0.3 -1,-0.2 -0.816 81.4-117.1-130.4 174.2 40.1 -2.6 -0.2 158 158 A W S > S+ 0 0 43 -2,-0.2 3,-1.8 1,-0.2 4,-0.4 0.109 71.6 122.5 -99.0 20.7 42.5 -0.6 2.0 159 159 A D G > + 0 0 95 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.864 67.2 58.7 -53.2 -36.1 44.9 0.1 -0.8 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.738 109.2 45.3 -68.8 -16.8 44.7 3.9 -0.4 161 161 A Y G < 0 0 18 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.375 360.0 360.0-108.2 7.0 45.8 3.6 3.1 162 162 A K < 0 0 176 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.806 360.0 360.0-105.3 360.0 48.7 1.2 2.7