==== 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 (O-GLYCOSYL) 23-SEP-96 209L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR I.R.VETTER,W.A.BAASE,D.W.HEINZ,J.-P.XIONG,S.SNOW, . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.3 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 49.7 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 0 1 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 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 68 0, 0.0 2,-0.3 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0 156.2 43.1 29.1 32.5 2 2 A N > - 0 0 62 159,-0.1 4,-4.9 1,-0.1 5,-0.3 -0.986 360.0 -81.6-177.6 168.4 45.3 26.8 34.3 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.711 124.4 48.6 -44.7 -37.4 46.1 23.5 36.0 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.4 3,-0.2 -1,-0.3 0.969 116.9 40.4 -66.5 -58.0 44.4 24.6 39.2 5 5 A E H > S+ 0 0 88 1,-0.3 4,-3.6 2,-0.2 -2,-0.2 0.866 113.7 56.3 -54.6 -47.5 41.3 25.8 37.3 6 6 A M H X S+ 0 0 0 -4,-4.9 4,-2.5 1,-0.2 -1,-0.3 0.882 110.8 42.6 -59.5 -38.5 41.6 22.8 35.2 7 7 A L H X>S+ 0 0 0 -4,-1.6 4,-3.8 -5,-0.3 5,-0.6 0.826 111.0 53.5 -81.9 -26.1 41.5 20.5 38.1 8 8 A R H X5S+ 0 0 95 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.964 111.0 49.5 -71.1 -38.5 38.9 22.3 39.9 9 9 A I H <5S+ 0 0 87 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.948 120.7 34.5 -62.5 -42.2 36.9 22.0 36.7 10 10 A D H <5S+ 0 0 16 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.905 123.2 40.6 -80.8 -40.6 37.6 18.3 36.5 11 11 A E H <5S- 0 0 44 -4,-3.8 19,-0.2 -5,-0.2 -3,-0.2 0.879 91.3-149.9 -79.2 -35.9 37.6 17.2 40.1 12 12 A G << - 0 0 19 -4,-1.9 2,-0.6 -5,-0.6 -1,-0.1 -0.184 23.4 -85.1 87.8 169.8 34.8 19.2 41.4 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.899 44.8 174.2-128.9 112.2 34.5 20.5 44.9 14 14 A R E -A 28 0A 123 14,-2.1 14,-2.5 -2,-0.6 4,-0.1 -0.943 18.3-176.6-120.0 132.3 33.2 18.4 47.8 15 15 A L E S+ 0 0 53 -2,-0.4 43,-1.5 12,-0.2 2,-0.4 0.196 70.8 61.9-106.3 15.7 33.1 19.2 51.5 16 16 A K E S-C 57 0B 148 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.995 96.5 -92.0-142.5 132.8 31.7 16.0 52.8 17 17 A I E + 0 0 24 39,-1.3 2,-0.3 -2,-0.4 10,-0.2 -0.190 56.0 161.1 -48.0 131.1 33.3 12.6 52.5 18 18 A Y E -A 26 0A 33 8,-1.8 8,-2.9 -4,-0.1 2,-0.4 -0.853 39.2-106.7-140.1 171.2 32.2 10.7 49.5 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.808 32.1-140.9 -97.9 141.6 33.2 7.8 47.4 20 20 A D > - 0 0 43 4,-1.4 3,-3.1 -2,-0.4 4,-0.0 -0.445 41.5 -77.1 -89.3-176.9 34.6 8.4 44.0 21 21 A T T 3 S+ 0 0 94 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.697 136.8 46.7 -42.5 -44.3 34.0 6.5 40.8 22 22 A E T 3 S- 0 0 101 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.475 123.4-109.6 -84.7 -5.7 36.3 3.7 41.9 23 23 A G < + 0 0 29 -3,-3.1 -2,-0.2 1,-0.2 2,-0.2 0.741 68.1 145.3 84.6 27.2 34.5 3.9 45.3 24 24 A Y - 0 0 77 1,-0.1 -4,-1.4 -4,-0.0 2,-0.7 -0.488 59.1 -97.9 -95.0 168.3 37.3 5.3 47.3 25 25 A Y E +AB 19 34A 27 9,-3.3 9,-2.2 -6,-0.2 8,-2.1 -0.786 59.1 156.6 -87.2 115.6 37.2 7.6 50.1 26 26 A T E -AB 18 32A 5 -8,-2.9 -8,-1.8 -2,-0.7 2,-0.3 -0.897 19.1-174.3-137.3 168.3 37.8 11.1 48.8 27 27 A I E > + B 0 31A 0 4,-1.9 4,-0.9 -2,-0.3 2,-0.2 -0.973 47.6 4.5-164.0 160.4 37.2 14.7 49.5 28 28 A G E 4 S-A 14 0A 2 -14,-2.5 -14,-2.1 -2,-0.3 2,-0.4 -0.448 120.9 -18.7 67.2-129.6 37.6 18.2 48.3 29 29 A I T 4 S- 0 0 7 34,-0.3 -1,-0.2 -16,-0.2 -17,-0.2 -0.576 135.1 -35.4-102.9 55.2 38.9 18.6 44.7 30 30 A G T 4 S+ 0 0 7 -2,-0.4 2,-0.4 -19,-0.2 -2,-0.2 0.173 82.8 158.6 118.0 -24.7 40.4 15.2 44.4 31 31 A H E < -B 27 0A 31 -4,-0.9 -4,-1.9 -5,-0.1 2,-0.8 -0.091 30.0-152.5 -44.5 95.4 41.7 14.4 47.9 32 32 A L E +B 26 0A 54 -2,-0.4 -6,-0.3 -6,-0.2 -1,-0.1 -0.584 18.3 177.7 -70.3 114.4 41.9 10.8 48.0 33 33 A L E - 0 0 8 -8,-2.1 2,-0.3 -2,-0.8 -7,-0.2 0.955 55.3 -27.8 -82.6 -51.9 41.5 9.9 51.6 34 34 A T E -B 25 0A 31 -9,-2.2 -9,-3.3 2,-0.1 -1,-0.3 -0.926 29.3-141.9-170.2 148.4 41.6 6.1 51.4 35 35 A K S S+ 0 0 104 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.450 73.3 103.5 -82.8 -19.0 41.0 2.9 49.5 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.1 -11,-0.1 -2,-0.1 0.322 75.3-115.6 -43.7 176.3 39.7 1.0 52.5 37 37 A P S S+ 0 0 115 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.741 85.9 75.1 26.4-102.4 36.3 -0.0 53.6 38 38 A S >> - 0 0 62 1,-0.2 3,-3.4 2,-0.1 4,-0.8 -0.574 63.9-150.2 -83.2 110.4 35.7 1.7 56.8 39 39 A L H 3> S+ 0 0 56 -2,-1.0 4,-3.3 1,-0.3 5,-0.2 0.653 96.6 68.5 -18.8 -54.9 34.9 5.4 56.6 40 40 A N H 3> S+ 0 0 102 1,-0.3 4,-3.5 2,-0.3 -1,-0.3 0.866 97.1 52.9 -40.6 -51.3 36.5 5.7 60.0 41 41 A A H <> S+ 0 0 37 -3,-3.4 4,-1.8 1,-0.2 -1,-0.3 0.940 113.9 41.1 -53.3 -50.5 39.7 4.9 58.4 42 42 A A H X S+ 0 0 0 -4,-0.8 4,-2.3 2,-0.2 -2,-0.3 0.866 115.2 51.5 -68.6 -34.1 39.2 7.6 55.9 43 43 A K H X S+ 0 0 52 -4,-3.3 4,-2.1 2,-0.2 11,-0.3 0.892 109.6 48.9 -65.0 -48.2 37.8 10.0 58.5 44 44 A S H X S+ 0 0 57 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.847 109.6 54.4 -57.7 -39.8 40.7 9.5 60.7 45 45 A E H X S+ 0 0 89 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.947 107.4 49.2 -61.2 -49.8 42.9 10.1 57.7 46 46 A L H X>S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.6 0.894 106.4 60.2 -56.1 -40.1 41.1 13.4 57.1 47 47 A D H X5S+ 0 0 45 -4,-2.1 4,-4.0 1,-0.3 5,-0.3 0.945 104.6 44.0 -63.1 -44.0 41.7 14.2 60.7 48 48 A K H <5S+ 0 0 117 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.773 113.4 53.9 -70.4 -23.8 45.4 14.1 60.7 49 49 A A H <5S+ 0 0 37 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.996 126.3 21.2 -64.7 -62.3 45.4 16.0 57.5 50 50 A I H <5S- 0 0 28 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.915 94.9-145.4 -68.9 -49.7 43.3 18.8 59.0 51 51 A G << + 0 0 54 -4,-4.0 -3,-0.2 -5,-0.6 -4,-0.1 0.973 69.6 82.9 77.8 64.2 44.0 18.1 62.5 52 52 A R S S- 0 0 104 -5,-0.3 -5,-0.1 -6,-0.0 -4,-0.1 0.462 98.7 -91.4-177.4 10.8 40.7 18.9 64.2 53 53 A N + 0 0 134 -6,-0.1 -9,-0.1 -10,-0.1 -6,-0.0 1.000 49.0 173.5 61.2 71.9 38.0 16.3 64.1 54 54 A T - 0 0 7 -11,-0.3 3,-0.3 -10,-0.0 -10,-0.1 0.841 25.1-150.9 -77.3 -38.6 36.2 17.1 61.0 55 55 A N S S- 0 0 117 -12,-0.2 3,-0.1 1,-0.2 -11,-0.1 0.921 77.9 -43.7 62.3 36.5 34.0 14.1 61.1 56 56 A G S S+ 0 0 4 -13,-0.2 -39,-1.3 1,-0.2 2,-0.4 0.558 118.7 108.9 84.8 11.4 33.8 14.2 57.4 57 57 A V B +C 16 0B 68 -3,-0.3 -1,-0.2 -41,-0.2 2,-0.2 -0.964 35.9 162.1-124.5 139.9 33.4 17.9 57.0 58 58 A I - 0 0 9 -43,-1.5 2,-0.3 -2,-0.4 -43,-0.1 -0.654 26.9-114.6-135.6-170.9 35.7 20.5 55.8 59 59 A T > - 0 0 59 -2,-0.2 4,-4.0 1,-0.1 5,-0.3 -0.894 31.5-104.8-128.7 165.8 35.8 24.1 54.5 60 60 A K H > S+ 0 0 130 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.928 124.7 46.6 -53.1 -46.4 36.7 25.8 51.4 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 112.7 49.4 -60.7 -46.7 39.9 26.9 53.0 62 62 A E H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.955 114.6 44.3 -55.3 -53.2 40.5 23.5 54.2 63 63 A A H X S+ 0 0 2 -4,-4.0 4,-2.8 1,-0.3 -34,-0.3 0.892 111.4 53.0 -58.8 -45.4 39.9 22.0 50.9 64 64 A E H X S+ 0 0 115 -4,-3.5 4,-1.7 -5,-0.3 -1,-0.3 0.818 106.9 55.7 -62.7 -27.8 41.9 24.6 49.1 65 65 A K H X S+ 0 0 110 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.967 108.7 44.0 -72.2 -45.9 44.6 23.8 51.5 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.915 110.2 59.7 -62.3 -40.8 44.7 20.2 50.6 67 67 A F H X S+ 0 0 17 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.953 100.3 50.6 -50.0 -64.4 44.4 21.0 46.9 68 68 A N H X S+ 0 0 74 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.915 111.9 48.3 -43.9 -50.0 47.6 23.1 46.6 69 69 A Q H X S+ 0 0 101 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.961 110.4 52.0 -56.5 -52.7 49.6 20.4 48.2 70 70 A D H X S+ 0 0 14 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.898 112.7 46.4 -48.4 -45.5 48.1 17.8 45.9 71 71 A V H >X S+ 0 0 6 -4,-3.2 4,-2.9 2,-0.2 3,-0.8 0.985 107.9 52.1 -66.3 -54.7 48.9 19.8 42.9 72 72 A D H 3< S+ 0 0 120 -4,-2.8 4,-0.4 1,-0.3 -1,-0.2 0.774 112.8 51.3 -50.7 -24.1 52.5 20.7 43.8 73 73 A A H 3X S+ 0 0 56 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.3 0.837 106.4 47.9 -85.8 -40.6 52.9 17.1 44.3 74 73AA A H S+ 0 0 41 -4,-0.4 4,-1.8 -5,-0.3 -1,-0.2 0.807 108.5 54.1 -82.0 -40.8 56.5 16.7 41.2 77 74 A A H X S+ 0 0 33 -4,-2.0 4,-3.5 2,-0.2 -2,-0.2 0.974 101.5 59.8 -52.6 -60.4 55.5 13.2 40.3 78 75 A V H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.3 5,-0.3 0.826 106.3 46.7 -39.0 -51.2 55.4 14.0 36.6 79 76 A R H X S+ 0 0 124 -4,-0.9 4,-1.4 1,-0.2 -1,-0.3 0.929 113.1 47.0 -62.3 -52.1 59.1 15.0 36.6 80 77 A G H X S+ 0 0 23 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.901 106.6 63.0 -57.8 -38.6 60.3 12.0 38.5 81 78 A I H < S+ 0 0 7 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.941 115.1 27.7 -52.9 -56.4 58.2 9.9 36.3 82 79 A L H < S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.514 108.3 75.8 -84.5 -6.0 60.0 10.7 33.2 83 80 A R H < S+ 0 0 143 -4,-1.4 3,-0.3 -5,-0.3 5,-0.3 0.985 109.4 32.3 -58.0 -60.3 63.0 11.3 35.4 84 81 A N S < S+ 0 0 85 -4,-3.0 0, 0.0 1,-0.2 0, 0.0 -0.011 103.0 59.9 -76.5-172.7 63.0 7.5 35.4 85 82 A A S S- 0 0 5 2,-0.0 -1,-0.2 3,-0.0 40,-0.1 0.706 114.1-110.8 61.5 15.2 61.8 5.7 32.3 86 83 A K S S+ 0 0 92 -3,-0.3 36,-0.0 1,-0.1 35,-0.0 -0.382 91.9 108.1 53.2-135.9 64.7 7.6 30.9 87 84 A L > + 0 0 0 1,-0.1 4,-1.0 3,-0.1 3,-0.5 0.743 32.7 143.8 38.8 38.5 63.2 10.3 28.6 88 85 A K H >> + 0 0 83 -5,-0.3 4,-1.9 1,-0.2 3,-0.7 0.932 64.9 62.6 -64.0 -48.4 64.0 13.1 31.0 89 86 A P H 3> S+ 0 0 74 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.733 96.8 61.0 -53.9 -20.6 64.8 15.5 28.1 90 87 A V H 3> S+ 0 0 12 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.952 100.3 52.6 -69.2 -43.3 61.2 15.0 27.1 91 88 A Y H << S+ 0 0 45 -4,-1.0 3,-0.3 -3,-0.7 -1,-0.2 0.922 113.5 45.4 -54.7 -37.4 60.1 16.4 30.4 92 89 A D H < S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.938 106.8 55.2 -74.7 -44.0 62.3 19.3 29.7 93 90 A S H < S+ 0 0 94 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.692 89.5 112.3 -62.1 -20.3 61.2 19.9 26.1 94 91 A L < - 0 0 29 -4,-1.6 2,-0.3 -3,-0.3 3,-0.0 -0.106 58.5-137.9 -58.4 160.1 57.6 20.1 27.2 95 92 A D > - 0 0 61 1,-0.0 4,-2.6 0, 0.0 5,-0.3 -0.727 31.5 -92.9-108.6 159.2 55.4 23.2 27.1 96 93 A A H > S+ 0 0 71 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.870 117.5 40.5 -32.6 -77.9 53.0 24.5 29.7 97 94 A V H > S+ 0 0 13 2,-0.3 4,-2.0 62,-0.2 -1,-0.2 0.820 114.7 49.3 -52.2 -47.9 49.8 22.9 28.6 98 95 A R H >> S+ 0 0 68 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.996 114.9 46.8 -56.3 -55.8 51.1 19.5 27.7 99 96 A R H 3X S+ 0 0 71 -4,-2.6 4,-2.5 1,-0.3 -2,-0.3 0.769 106.7 59.0 -55.0 -26.0 52.8 19.4 30.9 100 97 A A H 3X S+ 0 0 8 -4,-2.0 4,-3.1 -5,-0.3 -1,-0.3 0.967 107.1 45.5 -70.9 -44.7 49.6 20.6 32.6 101 98 A A H < S+ 0 0 0 -4,-3.1 3,-1.3 2,-0.2 -2,-0.2 0.941 110.0 50.5 -53.2 -60.0 46.3 16.3 35.6 105 102 A M H 3< S+ 0 0 2 -4,-4.5 -2,-0.2 1,-0.3 -1,-0.2 0.932 115.7 43.0 -45.7 -51.4 46.6 12.8 34.2 106 103 A V H >< S+ 0 0 6 -4,-2.5 3,-3.2 -5,-0.2 2,-0.6 0.453 90.0 131.0 -78.5 -6.3 48.9 11.7 37.0 107 104 A F T << S- 0 0 1 -3,-1.3 3,-0.1 -4,-0.6 -36,-0.1 -0.855 81.8 -1.0 -93.7 130.8 47.0 13.5 39.8 108 105 A Q T 3 S+ 0 0 57 -2,-0.6 -1,-0.4 1,-0.2 -2,-0.1 -0.082 90.0 151.2-113.7 74.1 46.3 11.9 42.2 109 106 A M < - 0 0 42 -3,-3.2 2,-0.4 4,-0.1 -1,-0.2 -0.315 31.2-149.9 -57.3 150.2 47.9 8.7 41.0 110 107 A G > - 0 0 31 -3,-0.1 3,-2.7 -2,-0.0 4,-0.5 -0.990 32.6 -78.2-137.7 131.5 49.2 6.6 43.8 111 108 A E T 3 S+ 0 0 150 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 0.075 123.0 43.7 -32.3 104.4 52.2 4.2 43.9 112 109 A T T 3> S+ 0 0 101 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 -0.547 119.5 44.1 149.7 -53.4 51.0 1.2 42.2 113 110 A G H <> S+ 0 0 32 -3,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.865 115.4 51.3 -75.6 -38.9 49.3 3.2 39.5 114 111 A V H > S+ 0 0 24 -4,-0.5 4,-2.0 1,-0.2 5,-0.2 0.971 106.3 53.9 -59.9 -56.2 52.4 5.3 39.4 115 112 A A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.896 107.6 48.8 -42.8 -59.9 54.7 2.3 39.0 116 113 A G H X S+ 0 0 32 -4,-1.5 4,-2.7 1,-0.2 5,-0.5 0.925 106.7 54.6 -48.3 -58.8 53.0 0.8 36.1 117 114 A F H X S+ 0 0 15 -4,-1.8 4,-2.3 1,-0.3 -1,-0.2 0.882 106.4 52.8 -46.3 -46.6 52.8 4.0 34.1 118 115 A T H X S+ 0 0 17 -4,-2.0 4,-2.7 2,-0.2 -1,-0.3 0.945 113.0 44.7 -56.2 -48.7 56.5 4.4 34.4 119 116 A N H X S+ 0 0 97 -4,-2.1 4,-2.8 1,-0.3 5,-0.4 0.981 113.2 47.1 -56.4 -65.8 57.0 0.9 33.1 120 117 A S H < S+ 0 0 48 -4,-2.7 4,-0.3 1,-0.3 -1,-0.3 0.792 114.4 54.5 -47.9 -25.2 54.5 1.2 30.3 121 118 A L H >X S+ 0 0 1 -4,-2.3 4,-1.2 -5,-0.5 3,-0.6 0.962 112.0 36.7 -75.7 -51.5 56.4 4.5 29.7 122 119 A R H 3< S+ 0 0 118 -4,-2.7 -2,-0.2 -3,-0.3 -3,-0.2 0.975 114.1 54.8 -64.5 -55.3 59.9 3.2 29.4 123 120 A M T 3< S+ 0 0 128 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.650 107.3 58.1 -56.1 -11.6 59.1 0.1 27.7 124 121 A L T <4 S- 0 0 36 -3,-0.6 -2,-0.2 -5,-0.4 -1,-0.2 0.976 100.1-121.3 -77.2 -82.1 57.3 2.4 25.2 125 122 A Q X - 0 0 101 -4,-1.2 4,-3.5 -40,-0.1 3,-0.3 -0.398 25.6 -78.5 140.3 151.3 60.0 4.8 23.8 126 123 A Q T 4 S+ 0 0 100 1,-0.3 2,-0.5 2,-0.2 4,-0.1 0.733 132.2 39.0 -36.7 -32.9 61.0 8.5 23.3 127 124 A K T 4 S+ 0 0 127 2,-0.1 -1,-0.3 1,-0.1 0, 0.0 -0.794 118.9 39.6-127.8 91.5 58.5 8.4 20.5 128 125 A R T >> S+ 0 0 141 -2,-0.5 3,-2.3 -3,-0.3 4,-0.8 -0.231 85.0 104.0 165.6 -29.8 55.7 6.3 21.7 129 126 A W H 3X S+ 0 0 29 -4,-3.5 4,-0.9 1,-0.3 3,-0.2 0.732 72.7 64.3 -40.1 -34.4 56.0 7.9 25.0 130 127 A D H >> S+ 0 0 46 -5,-0.2 4,-1.7 1,-0.2 3,-0.9 0.925 94.1 54.9 -63.8 -47.3 53.0 9.9 24.1 131 128 A E H <> S+ 0 0 88 -3,-2.3 4,-4.2 1,-0.3 -1,-0.2 0.839 97.7 61.5 -63.9 -29.9 50.5 7.1 23.8 132 129 A A H 3X S+ 0 0 8 -4,-0.8 4,-2.5 2,-0.2 -1,-0.3 0.871 106.1 51.6 -58.5 -37.0 51.0 5.6 27.2 133 130 A A H XX S+ 0 0 0 -3,-0.9 4,-2.2 -4,-0.9 3,-0.6 0.994 113.7 39.3 -58.8 -66.3 49.9 9.1 28.4 134 131 A V H 3X S+ 0 0 10 -4,-1.7 4,-2.4 1,-0.3 -2,-0.2 0.932 116.4 57.0 -53.4 -36.5 46.8 9.1 26.4 135 132 A N H 3< S+ 0 0 92 -4,-4.2 -1,-0.3 -5,-0.2 -2,-0.2 0.853 105.8 46.4 -60.4 -45.3 46.5 5.5 27.3 136 133 A L H 4 S+ 0 0 95 -5,-0.5 3,-0.6 1,-0.2 7,-0.2 0.918 84.4 32.7 -44.9 -98.9 37.0 6.4 30.3 143 140 A N T 34 S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.651 132.4 30.9 -25.0 -48.3 34.0 4.3 31.0 144 141 A Q T 34 S+ 0 0 79 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.661 132.3 19.0 -95.1 -37.4 32.9 6.5 33.9 145 142 A T + 0 0 36 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.738 66.5 62.9 -77.5 -22.9 34.5 10.3 29.6 147 144 A N H > S+ 0 0 104 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.923 106.9 46.6 -70.3 -32.7 34.2 14.0 29.2 148 145 A R H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.943 110.3 51.8 -69.3 -44.7 37.0 14.5 31.5 149 146 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 -8,-0.3 -1,-0.2 0.862 114.4 44.6 -62.5 -30.7 39.0 12.0 29.8 150 147 A K H < S+ 0 0 94 -4,-2.0 5,-0.3 2,-0.2 -1,-0.2 0.900 108.0 56.6 -78.7 -42.1 38.3 13.7 26.5 151 148 A R H X S+ 0 0 65 -4,-3.2 4,-1.1 -5,-0.2 -2,-0.2 0.876 110.3 47.1 -56.0 -40.9 38.9 17.1 27.9 152 149 A V H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-1.1 1.000 103.2 56.7 -66.7 -73.2 42.4 16.1 28.9 153 150 A I H 3< S+ 0 0 14 -4,-1.5 -1,-0.2 1,-0.3 0, 0.0 -0.523 109.7 43.0 -64.5 109.0 43.7 14.3 25.9 154 151 A T H 3> S+ 0 0 43 -2,-1.0 4,-2.2 6,-0.0 5,-0.4 -0.522 110.4 53.9 152.3 -61.7 43.3 17.1 23.5 155 152 A T H > + 0 0 45 -2,-0.4 3,-3.0 -3,-0.1 4,-0.8 0.822 66.5 112.0 -80.0 -27.7 43.0 25.2 26.7 162 159 A D T 34 + 0 0 102 1,-0.3 -2,-0.1 2,-0.2 0, 0.0 -0.288 68.5 58.6 -48.6 115.2 39.9 25.4 24.3 163 160 A A T 34 S+ 0 0 51 -9,-0.0 -1,-0.3 -8,-0.0 -2,-0.1 -0.411 109.9 42.7 145.9 -50.4 38.1 22.3 25.5 164 161 A Y T <4 0 0 24 -3,-3.0 -2,-0.2 -13,-0.1 -3,-0.1 0.529 360.0 360.0 -93.1 -15.7 37.9 23.6 29.1 165 162 A K < 0 0 181 -4,-0.8 -3,-0.1 -164,-0.0 -4,-0.0 0.944 360.0 360.0 -86.3 360.0 37.0 26.9 27.5