==== 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) 26-JAN-94 152L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.MATSUMURA,L.H.WEAVER,B.W.MATTHEWS . 164 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.0 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 1 1 1 0 2 1 0 0 1 1 1 0 0 0 0 0 0 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 89 0, 0.0 2,-0.2 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 148.6 19.1 13.5 -17.9 2 2 A N > - 0 0 75 95,-0.0 4,-2.1 1,-0.0 5,-0.2 -0.618 360.0 -84.7-130.8-169.7 18.8 10.0 -19.2 3 3 A a H > S+ 0 0 25 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.887 125.4 49.8 -69.1 -33.5 20.9 6.9 -19.4 4 4 A F H > S+ 0 0 78 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.890 111.8 48.1 -65.9 -47.8 22.8 8.0 -22.5 5 5 A E H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.885 110.0 52.7 -62.7 -42.2 23.6 11.4 -21.0 6 6 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.967 112.7 45.0 -57.4 -52.6 24.7 9.8 -17.9 7 7 A L H >X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 3,-0.5 0.920 111.1 51.7 -56.9 -54.6 27.0 7.5 -19.9 8 8 A R H 3X S+ 0 0 107 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.845 107.9 54.5 -51.6 -36.7 28.3 10.3 -22.1 9 9 A b H 3< S+ 0 0 32 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.887 116.0 36.7 -66.8 -37.5 29.1 12.2 -18.9 10 10 A D H << S+ 0 0 20 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.793 123.4 38.6 -83.2 -37.6 31.2 9.4 -17.5 11 11 A E H < S- 0 0 27 -4,-2.8 19,-0.4 -5,-0.2 -3,-0.2 0.741 85.5-168.0 -86.8 -29.0 32.9 8.1 -20.6 12 12 A G < - 0 0 32 -4,-1.5 2,-0.4 -5,-0.5 -1,-0.1 -0.252 31.8 -77.0 66.5-166.9 33.5 11.3 -22.3 13 13 A L + 0 0 83 16,-0.1 2,-0.4 17,-0.1 16,-0.2 -0.982 44.1 173.6-141.6 123.9 34.6 11.1 -26.0 14 14 A R E -A 28 0A 127 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -0.999 18.9-164.4-131.3 133.6 38.0 10.2 -27.5 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.367 77.6 59.8 -95.6 0.8 38.7 9.8 -31.2 16 16 A K E S-C 57 0B 140 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.936 99.0 -88.1-127.7 151.4 42.0 8.0 -30.5 17 17 A I E + 0 0 32 39,-1.0 2,-0.3 -2,-0.3 10,-0.2 -0.330 55.6 158.3 -61.1 138.8 42.8 4.9 -28.6 18 18 A Y E -A 26 0A 34 8,-2.5 8,-3.2 6,-0.1 2,-0.5 -0.885 40.5-102.0-146.9 175.4 43.4 5.3 -24.9 19 19 A K E -A 25 0A 110 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.931 31.0-141.0-112.3 127.2 43.2 3.2 -21.7 20 20 A D > - 0 0 35 4,-2.4 3,-1.5 -2,-0.5 -1,-0.1 0.125 41.5 -85.6 -66.4-174.6 40.3 3.4 -19.3 21 21 A c T 3 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 131.5 60.8 -70.3 -17.7 40.6 3.3 -15.6 22 22 A E T 3 S- 0 0 44 2,-0.1 -1,-0.3 120,-0.1 120,-0.1 0.478 119.4-113.3 -83.1 -10.9 40.5 -0.5 -15.9 23 23 A G S < S+ 0 0 44 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.557 72.3 133.3 88.2 10.2 43.7 -0.2 -18.0 24 24 A Y - 0 0 72 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.724 65.0-103.9 -97.6 149.0 42.1 -1.4 -21.2 25 25 A Y E +AB 19 34A 25 9,-0.7 8,-2.5 11,-0.4 9,-1.2 -0.479 54.0 165.5 -66.5 128.3 42.4 0.1 -24.7 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-2.5 6,-0.3 2,-0.3 -0.937 16.6-167.4-143.3 159.4 39.2 1.9 -25.4 27 27 A I E > + B 0 31A 0 4,-2.3 4,-2.7 -2,-0.3 -12,-0.2 -0.954 48.8 1.9-148.7 166.9 37.9 4.4 -27.9 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.8 -0.375 124.7 -7.4 62.2-125.8 35.0 6.9 -28.7 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.760 131.5 -46.7-102.8 82.6 32.4 6.9 -25.9 30 30 A G T 4 S+ 0 0 11 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.771 85.3 163.2 65.9 31.3 33.6 4.0 -23.6 31 31 A H E < -B 27 0A 23 -4,-2.7 -4,-2.3 -20,-0.1 2,-0.3 -0.674 29.6-146.2 -86.9 108.5 34.1 1.6 -26.4 32 32 A L E +B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.537 19.8 178.2 -71.0 129.1 36.3 -1.3 -25.2 33 33 A L E - 0 0 14 -8,-2.5 2,-0.3 1,-0.3 -7,-0.2 0.883 60.4 -13.9 -96.5 -47.3 38.5 -2.6 -28.0 34 34 A T E -B 25 0A 22 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.3 -0.997 33.9-146.5-156.8 149.2 40.5 -5.3 -26.2 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.517 77.4 107.0 -90.5 -4.5 41.4 -6.8 -22.8 36 36 A S S S- 0 0 37 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.438 76.8-131.4 -74.3 145.9 44.7 -7.6 -24.4 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.240 76.9 99.8 -80.2 6.8 47.8 -5.6 -23.4 38 38 A S > - 0 0 54 1,-0.1 4,-1.7 -13,-0.0 5,-0.2 -0.901 59.1-156.4-109.2 130.3 48.8 -5.0 -27.0 39 39 A L H > S+ 0 0 65 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.805 97.8 60.2 -67.1 -31.2 48.1 -1.9 -29.0 40 40 A N H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.986 104.2 48.5 -64.8 -45.0 48.4 -3.9 -32.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.849 112.4 48.2 -56.6 -42.0 45.5 -6.1 -31.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.881 110.3 53.6 -63.8 -41.1 43.4 -3.0 -30.1 43 43 A K H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.928 110.4 46.2 -62.5 -41.7 44.3 -1.6 -33.5 44 44 A S H X S+ 0 0 72 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.950 111.9 50.5 -64.5 -47.6 43.1 -4.7 -35.2 45 45 A E H X S+ 0 0 68 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.880 106.7 57.0 -56.4 -41.0 40.0 -4.7 -33.3 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.966 108.7 43.3 -58.8 -52.7 39.4 -1.2 -34.1 47 47 A D H X>S+ 0 0 38 -4,-2.0 4,-4.3 2,-0.2 5,-0.7 0.908 113.8 52.1 -58.5 -45.6 39.5 -1.7 -37.8 48 48 A K H <5S+ 0 0 158 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.954 112.8 44.4 -55.4 -55.8 37.4 -4.8 -37.6 49 49 A A H <5S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 121.4 40.7 -55.5 -42.6 34.7 -3.0 -35.5 50 50 A I H <5S- 0 0 35 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.897 97.4-135.5 -78.0 -44.2 34.8 -0.0 -37.9 51 51 A G T <5S+ 0 0 67 -4,-4.3 2,-0.3 1,-0.4 -3,-0.2 0.480 74.9 71.0 99.1 5.3 35.1 -1.8 -41.2 52 52 A R S - 0 0 9 -2,-1.2 3,-1.2 -11,-0.2 -1,-0.2 0.725 31.6-147.5 -84.1 -28.8 41.2 3.8 -39.3 55 55 A N T 3 S- 0 0 139 1,-0.2 -2,-0.1 -3,-0.2 3,-0.1 0.854 73.2 -48.2 58.5 36.1 44.8 3.8 -38.5 56 56 A G T 3 S+ 0 0 10 -13,-0.2 -39,-1.0 1,-0.2 2,-0.4 0.446 121.2 86.7 88.2 -0.1 43.9 4.5 -34.8 57 57 A V B < -C 16 0B 78 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.982 50.1-172.1-134.2 143.5 41.5 7.3 -35.2 58 58 A I - 0 0 6 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.0 -0.759 25.5-102.6-123.1 176.9 37.7 7.4 -35.7 59 59 A T > - 0 0 56 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.644 30.2-110.8-100.1 162.8 35.2 10.0 -36.4 60 60 A K H > S+ 0 0 108 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.918 119.5 46.2 -54.5 -41.0 32.7 11.5 -34.1 61 61 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 106.9 57.4 -72.5 -30.2 29.8 9.8 -35.8 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 107.6 48.9 -60.4 -40.9 31.6 6.5 -35.9 63 63 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -34,-0.4 0.876 108.5 53.4 -60.5 -43.9 31.8 6.9 -32.1 64 64 A E H X S+ 0 0 40 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.786 108.2 50.7 -61.7 -38.7 28.2 7.6 -31.9 65 65 A K H X S+ 0 0 148 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.926 110.9 47.0 -69.0 -47.7 27.5 4.5 -33.9 66 66 A L H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.880 110.0 55.7 -60.9 -41.2 29.6 2.3 -31.6 67 67 A F H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.893 105.4 49.9 -60.7 -43.0 27.9 3.9 -28.6 68 68 A N H X S+ 0 0 101 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.962 113.2 47.3 -64.4 -41.9 24.4 3.0 -29.7 69 69 A Q H X S+ 0 0 104 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.884 112.0 50.2 -64.1 -39.0 25.4 -0.5 -30.3 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.877 109.8 49.2 -68.5 -37.0 27.2 -0.7 -26.9 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.967 111.4 51.0 -64.5 -44.0 24.2 0.7 -25.0 72 72 A D H X S+ 0 0 89 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.910 108.3 52.1 -57.6 -43.0 22.0 -1.9 -26.9 73 73 A A H X S+ 0 0 41 -4,-2.1 4,-2.4 2,-0.2 -1,-0.3 0.881 108.4 50.4 -63.2 -38.4 24.4 -4.6 -25.9 74 74 A A H X S+ 0 0 7 -4,-2.1 4,-1.7 2,-0.2 5,-0.2 0.951 112.8 46.1 -64.2 -46.5 24.2 -3.5 -22.1 75 75 A V H X S+ 0 0 42 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.950 111.8 53.4 -64.0 -42.4 20.4 -3.5 -22.1 76 76 A R H X S+ 0 0 121 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.919 108.3 47.4 -57.6 -47.9 20.4 -6.8 -23.9 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.811 111.0 51.9 -68.2 -25.5 22.7 -8.6 -21.4 78 78 A I H >< S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 7,-0.6 0.955 109.6 49.0 -70.0 -50.2 20.7 -7.3 -18.4 79 79 A L H 3< S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.743 115.5 43.6 -59.9 -30.5 17.4 -8.5 -19.8 80 80 A R H 3< S+ 0 0 144 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.617 94.5 92.4 -93.2 -17.1 18.7 -11.8 -20.5 81 81 A N S+ 0 0 0 -3,-0.5 4,-3.2 -6,-0.2 5,-0.2 0.815 103.1 68.7 -99.1 -41.5 20.3 -8.7 -13.5 85 85 A K H X S+ 0 0 90 -4,-3.1 4,-3.0 -7,-0.6 5,-0.2 0.922 101.7 46.1 -48.6 -54.3 16.8 -8.7 -15.0 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.837 113.5 50.4 -60.8 -36.5 14.8 -8.8 -11.8 87 87 A V H >> S+ 0 0 2 -4,-0.3 4,-1.0 1,-0.2 3,-0.5 0.964 112.6 47.6 -61.0 -52.6 17.0 -6.1 -10.2 88 88 A Y H >< S+ 0 0 38 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.899 109.9 50.8 -52.5 -49.3 16.5 -4.0 -13.3 89 89 A D H 3< S+ 0 0 78 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.808 109.5 52.4 -62.3 -30.2 12.8 -4.4 -13.4 90 90 A S H << S+ 0 0 34 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.618 94.0 88.6 -82.5 -13.3 12.5 -3.5 -9.7 91 91 A L S << S- 0 0 8 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.450 77.6-112.8 -87.8 159.5 14.4 -0.2 -9.9 92 92 A D > - 0 0 58 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.315 42.4 -92.8 -78.8 170.8 13.2 3.2 -10.6 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.852 123.0 46.1 -55.0 -46.3 14.2 5.0 -13.8 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.916 114.0 47.7 -66.3 -44.9 17.2 6.8 -12.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.843 105.4 60.6 -67.7 -28.0 18.6 3.8 -10.6 96 96 A R H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.3 5,-0.2 0.920 100.7 54.9 -63.5 -39.6 18.1 1.7 -13.8 97 97 A a H X S+ 0 0 7 -4,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.890 104.1 53.6 -59.3 -38.2 20.4 4.0 -15.5 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.839 108.4 50.7 -66.3 -31.9 23.0 3.4 -12.8 99 99 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.890 109.7 49.0 -73.6 -34.3 22.7 -0.4 -13.5 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.926 107.1 57.2 -67.3 -42.0 23.1 0.1 -17.2 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.920 108.1 45.7 -51.2 -51.1 26.1 2.2 -16.5 102 102 A M H X S+ 0 0 5 -4,-1.7 4,-3.4 2,-0.2 5,-0.5 0.911 114.5 48.5 -60.5 -47.6 27.8 -0.7 -14.5 103 103 A V H X S+ 0 0 6 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.935 110.1 51.2 -59.9 -47.8 26.9 -3.2 -17.2 104 104 A F H < S+ 0 0 29 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.881 117.8 40.1 -56.6 -41.1 28.2 -1.0 -20.0 105 105 A Q H < S+ 0 0 30 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.946 132.9 15.9 -78.2 -51.0 31.4 -0.6 -18.2 106 106 A M H < S- 0 0 38 -4,-3.4 4,-0.3 1,-0.2 -3,-0.2 0.671 103.2-115.3-103.7 -13.6 32.1 -4.0 -16.8 107 107 A G X - 0 0 29 -4,-3.0 4,-1.9 -5,-0.5 5,-0.3 -0.115 32.9 -74.7 99.3 159.6 29.9 -6.4 -18.6 108 108 A E H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.922 128.3 47.4 -60.1 -46.0 27.1 -8.6 -17.7 109 109 A T H 4 S+ 0 0 123 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.754 109.3 55.0 -69.3 -30.1 29.2 -11.2 -15.9 110 110 A G H >4 S+ 0 0 33 -4,-0.3 3,-1.5 2,-0.2 4,-0.2 0.964 113.3 38.8 -68.0 -51.7 31.1 -8.7 -13.9 111 111 A V H >< S+ 0 0 1 -4,-1.9 3,-2.9 1,-0.3 -2,-0.2 0.880 106.7 65.3 -65.3 -37.0 28.1 -7.0 -12.4 112 112 A A T 3< S+ 0 0 15 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.701 93.0 65.2 -59.7 -19.3 26.4 -10.3 -12.0 113 113 A G T < S+ 0 0 54 -3,-1.5 2,-1.8 -4,-0.4 -1,-0.3 0.534 76.4 85.4 -81.7 -9.7 29.1 -11.1 -9.5 114 114 A F <> + 0 0 45 -3,-2.9 4,-2.3 1,-0.2 5,-0.3 -0.360 56.8 162.4 -88.2 58.0 28.1 -8.3 -7.0 115 115 A T H > + 0 0 68 -2,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.843 65.5 43.0 -41.1 -56.2 25.6 -10.7 -5.5 116 116 A N H > S+ 0 0 86 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.875 114.2 49.2 -63.9 -43.9 25.0 -8.9 -2.2 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.884 109.6 53.9 -62.0 -40.1 24.7 -5.4 -3.6 118 118 A L H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.925 110.8 46.0 -59.8 -47.2 22.3 -6.7 -6.2 119 119 A R H X S+ 0 0 113 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.904 111.5 51.2 -65.4 -42.5 20.2 -8.2 -3.5 120 120 A M H <>S+ 0 0 20 -4,-2.5 5,-3.0 1,-0.2 3,-0.4 0.943 109.7 49.5 -64.6 -39.8 20.3 -5.0 -1.4 121 121 A L H ><5S+ 0 0 4 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.874 108.7 53.3 -61.2 -40.9 19.3 -2.9 -4.3 122 122 A Q H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 110.7 46.7 -67.8 -22.3 16.4 -5.1 -5.0 123 123 A Q T 3<5S- 0 0 106 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.179 115.8-114.3-104.0 15.7 15.3 -4.8 -1.5 124 124 A K T < 5 + 0 0 107 -3,-1.6 2,-1.3 1,-0.2 -3,-0.2 0.756 67.9 144.1 57.6 29.4 15.6 -1.1 -1.5 125 125 A R >< + 0 0 75 -5,-3.0 4,-2.5 1,-0.2 -1,-0.2 -0.587 20.0 168.6 -96.9 71.5 18.4 -1.1 1.1 126 126 A W H > + 0 0 55 -2,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.796 69.6 46.0 -54.2 -45.8 20.2 1.8 -0.6 127 127 A D H > S+ 0 0 103 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 114.0 49.6 -72.0 -35.9 22.8 2.6 2.0 128 128 A E H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.919 110.8 50.3 -66.2 -39.9 23.7 -1.0 2.5 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.950 110.0 51.4 -60.2 -46.4 24.1 -1.4 -1.3 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.880 108.6 48.7 -58.4 -47.3 26.3 1.7 -1.4 131 131 A V H < S+ 0 0 81 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.884 112.5 50.6 -60.1 -41.0 28.6 0.5 1.3 132 132 A N H >< S+ 0 0 37 -4,-1.8 3,-1.0 -5,-0.2 4,-0.3 0.876 107.9 50.2 -63.6 -43.8 28.9 -2.8 -0.4 133 133 A L H >< S+ 0 0 3 -4,-2.2 3,-1.1 1,-0.3 6,-0.4 0.798 102.9 61.2 -67.1 -31.9 29.7 -1.4 -3.8 134 134 A A T 3< S+ 0 0 33 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.572 93.3 67.2 -71.3 -12.5 32.4 0.8 -2.4 135 135 A K T < S+ 0 0 141 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.615 83.6 101.4 -85.9 -11.6 34.2 -2.4 -1.2 136 136 A S S <> S- 0 0 16 -3,-1.1 4,-0.9 -4,-0.3 5,-0.0 -0.145 79.9-124.6 -71.2 168.9 35.0 -3.5 -4.8 137 137 A R H > S+ 0 0 210 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.791 111.9 68.0 -77.4 -34.9 38.2 -3.3 -6.8 138 138 A W H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.943 100.2 48.4 -49.7 -50.6 36.1 -1.5 -9.4 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 110.9 49.8 -60.0 -40.0 35.8 1.4 -6.8 140 140 A N H < S+ 0 0 111 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.933 115.8 42.4 -70.5 -36.5 39.5 1.5 -6.2 141 141 A Q H < S+ 0 0 98 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 131.0 21.4 -76.7 -36.4 40.3 1.5 -9.8 142 142 A c S X S+ 0 0 4 -4,-2.7 4,-3.6 -5,-0.2 5,-0.2 -0.472 73.7 157.6-129.6 56.9 37.7 4.1 -11.0 143 143 A P H > S+ 0 0 44 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.784 71.7 49.9 -54.3 -41.9 36.8 6.0 -7.8 144 144 A N H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.986 118.5 38.0 -63.7 -56.8 35.5 9.2 -9.4 145 145 A R H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 117.6 50.8 -57.8 -47.4 33.2 7.3 -11.7 146 146 A A H X S+ 0 0 0 -4,-3.6 4,-2.8 2,-0.2 5,-0.2 0.890 108.8 52.0 -61.7 -39.7 32.3 4.7 -9.1 147 147 A K H X S+ 0 0 92 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.932 109.5 50.3 -62.1 -42.7 31.4 7.4 -6.6 148 148 A R H X S+ 0 0 75 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.922 113.4 44.0 -59.6 -46.8 29.2 9.0 -9.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.877 114.9 50.6 -67.7 -37.6 27.4 5.7 -9.9 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.927 104.6 54.6 -69.7 -42.3 27.1 4.9 -6.3 151 151 A T H X S+ 0 0 44 -4,-3.2 4,-2.8 1,-0.2 5,-0.4 0.852 106.1 55.6 -59.0 -32.7 25.7 8.1 -5.2 152 152 A T H X S+ 0 0 0 -4,-1.1 4,-2.7 -5,-0.3 -1,-0.2 0.912 107.6 46.7 -65.1 -42.1 23.0 7.6 -7.8 153 153 A F H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.850 114.9 48.5 -69.1 -34.4 22.0 4.2 -6.3 154 154 A R H < S+ 0 0 104 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.893 126.3 24.0 -73.9 -39.3 22.0 5.7 -2.8 155 155 A T H < S- 0 0 43 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.804 82.2-142.6-101.3 -30.4 20.0 8.7 -3.6 156 156 A G < + 0 0 17 -4,-2.7 -62,-0.2 -5,-0.4 2,-0.2 0.660 68.7 104.1 79.3 8.0 18.0 7.9 -6.6 157 157 A T S S- 0 0 52 -6,-0.4 -1,-0.3 -5,-0.1 3,-0.3 -0.625 81.0-116.7-111.8 178.7 18.5 11.5 -7.9 158 158 A W S > S+ 0 0 56 -2,-0.2 3,-2.7 1,-0.2 4,-0.4 0.186 72.6 123.8 -97.3 11.1 20.8 12.9 -10.6 159 159 A D G > + 0 0 100 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.745 68.2 56.7 -42.2 -40.7 22.8 15.0 -8.1 160 160 A A G 3 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.691 112.6 40.5 -68.3 -22.2 26.1 13.5 -9.1 161 161 A Y G X S+ 0 0 4 -3,-2.7 3,-0.9 1,-0.1 -1,-0.2 0.267 80.0 113.4-108.7 11.5 25.6 14.5 -12.7 162 162 A K T < S+ 0 0 156 -3,-1.0 -1,-0.1 -4,-0.4 -2,-0.1 0.697 81.3 40.6 -55.1 -31.9 24.2 17.9 -12.1 163 163 A N T 3 0 0 156 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.585 360.0 360.0 -94.4 -13.0 27.2 19.8 -13.6 164 164 A b < 0 0 121 -3,-0.9 -2,-0.1 -4,-0.1 -1,-0.1 0.830 360.0 360.0 -42.5 360.0 27.7 17.5 -16.5