==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAY-04 1T8F . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.M.HE,Z.A.WOOD,W.A.BAASE,H.XIAO,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 69.1 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 . 10 6.2 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 . 5 3.1 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 . 82 50.6 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 1 0 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 1 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 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 67 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 155.4 11.5 73.2 1.8 2 2 A N >> - 0 0 76 95,-0.0 4,-2.2 1,-0.0 3,-0.5 -0.840 360.0 -84.9-139.7 175.5 14.2 74.9 3.7 3 3 A I H 3> S+ 0 0 27 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.813 121.4 56.4 -55.5 -34.9 17.2 74.0 5.9 4 4 A F H 3> S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 111.0 42.4 -67.7 -38.4 15.1 73.6 9.1 5 5 A E H <> S+ 0 0 90 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.853 113.2 53.9 -75.0 -34.1 12.8 71.0 7.6 6 6 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.925 112.3 43.6 -65.0 -44.2 15.7 69.2 5.9 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.837 107.2 58.7 -71.4 -32.0 17.6 69.0 9.2 8 8 A R H X S+ 0 0 85 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.866 107.9 48.4 -64.2 -35.4 14.5 67.9 11.2 9 9 A I H < S+ 0 0 89 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.923 117.6 41.0 -68.8 -41.7 14.3 65.0 8.8 10 10 A D H < S+ 0 0 18 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.753 125.0 33.3 -78.8 -26.0 18.0 64.2 9.3 11 11 A E H < S- 0 0 32 -4,-2.8 19,-0.4 -5,-0.1 -3,-0.2 0.717 89.6-161.5-102.3 -27.7 18.3 64.7 13.1 12 12 A G < - 0 0 30 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.132 27.1 -80.7 70.0-174.0 14.8 63.6 14.3 13 13 A L + 0 0 75 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.993 45.5 166.9-134.4 128.3 13.4 64.7 17.6 14 14 A A E -A 28 0A 30 14,-1.9 14,-2.1 -2,-0.4 4,-0.1 -0.994 22.2-158.9-140.1 130.8 14.2 63.1 21.0 15 15 A L E S+ 0 0 70 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.500 78.6 51.7 -90.0 -4.9 13.3 64.6 24.4 16 16 A A E S-C 57 0B 51 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.936 98.2 -89.1-128.2 152.4 15.9 62.7 26.5 17 17 A A E + 0 0 50 39,-0.7 2,-0.3 -2,-0.3 10,-0.2 -0.140 45.2 178.8 -59.5 153.7 19.6 62.3 25.8 18 18 A Y E -A 26 0A 87 8,-2.3 8,-3.3 6,-0.1 2,-0.4 -0.980 26.8-114.9-153.6 155.2 21.0 59.5 23.7 19 19 A A E -A 25 0A 61 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.790 27.4-143.7 -96.1 137.4 24.4 58.4 22.4 20 20 A D > - 0 0 70 4,-1.9 3,-1.2 -2,-0.4 -1,-0.1 -0.104 41.4 -77.5 -86.0-169.6 25.3 58.4 18.7 21 21 A A T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.748 134.6 42.4 -61.7 -25.4 27.4 56.0 16.7 22 22 A A T 3 S- 0 0 75 2,-0.1 -1,-0.3 119,-0.0 -3,-0.0 0.469 123.4-103.4 -99.1 -2.8 30.7 57.5 18.0 23 23 A G < + 0 0 41 -3,-1.2 2,-0.4 1,-0.3 -2,-0.1 0.536 69.2 149.9 94.8 7.6 29.3 57.7 21.6 24 24 A Y - 0 0 107 1,-0.1 -4,-1.9 -5,-0.1 2,-0.3 -0.620 49.0-120.0 -78.0 128.4 28.6 61.4 21.6 25 25 A Y E +A 19 0A 87 -2,-0.4 8,-2.8 -6,-0.2 9,-0.5 -0.518 40.4 173.4 -72.8 126.3 25.7 62.5 23.8 26 26 A T E +AB 18 32A 12 -8,-3.3 -8,-2.3 -2,-0.3 2,-0.3 -0.889 9.7 179.1-130.8 158.6 22.9 64.2 21.9 27 27 A I E > + B 0 31A 0 4,-2.1 4,-2.3 -2,-0.3 2,-0.4 -0.972 51.2 5.9-154.1 164.3 19.4 65.5 22.7 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.9 -2,-0.3 2,-0.5 -0.462 125.6 -10.4 68.5-117.6 16.5 67.3 21.0 29 29 A I T 4 S- 0 0 3 -2,-0.4 -1,-0.2 34,-0.3 -17,-0.2 -0.735 128.3 -49.3-120.2 77.0 17.1 67.9 17.3 30 30 A G T 4 S+ 0 0 11 -2,-0.5 2,-0.7 -19,-0.4 -2,-0.2 0.744 86.0 160.9 66.5 25.9 20.8 66.9 16.9 31 31 A H E < -B 27 0A 20 -4,-2.3 -4,-2.1 -20,-0.1 2,-0.4 -0.715 34.0-141.3 -85.0 117.5 22.0 69.1 19.8 32 32 A L E -B 26 0A 78 -2,-0.7 -6,-0.2 -6,-0.2 3,-0.1 -0.613 2.5-151.7 -73.5 123.5 25.4 67.9 21.0 33 33 A L - 0 0 9 -8,-2.8 2,-0.3 -2,-0.4 -1,-0.2 0.961 69.1 -29.3 -62.1 -48.7 25.6 68.1 24.8 34 34 A T - 0 0 20 -9,-0.5 -1,-0.2 2,-0.1 -9,-0.2 -0.990 37.1-132.5-164.8 159.6 29.4 68.7 24.7 35 35 A K S S+ 0 0 167 -2,-0.3 -1,-0.1 -3,-0.1 7,-0.1 0.746 77.9 107.6 -85.3 -27.2 32.7 68.0 22.9 36 36 A S S S- 0 0 47 1,-0.1 -2,-0.1 5,-0.1 6,-0.0 -0.085 72.2-136.4 -53.0 146.8 34.3 67.0 26.2 37 37 A P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.743 78.9 99.9 -76.0 -24.6 35.1 63.3 26.8 38 38 A S > - 0 0 56 1,-0.1 4,-0.6 2,-0.1 -2,-0.1 -0.468 61.3-157.8 -70.5 126.5 33.7 63.7 30.3 39 39 A L H >> S+ 0 0 104 -2,-0.3 4,-1.0 1,-0.2 3,-0.7 0.847 94.4 56.8 -70.5 -35.5 30.2 62.4 30.9 40 40 A N H 3> S+ 0 0 147 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.823 101.6 57.8 -65.3 -30.8 29.7 64.7 34.0 41 41 A A H 3> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.730 97.8 64.5 -70.8 -22.9 30.6 67.7 31.8 42 42 A A H S+ 0 0 28 -4,-2.3 4,-2.3 1,-0.3 5,-1.2 0.844 109.1 51.9 -51.7 -38.1 21.5 72.8 31.9 48 48 A K H <5S+ 0 0 179 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.906 113.8 43.2 -67.4 -39.1 23.5 75.9 31.1 49 49 A A H <5S+ 0 0 36 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.859 117.3 45.2 -72.6 -38.3 22.2 75.8 27.5 50 50 A I H <5S- 0 0 10 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.819 105.3-132.5 -73.8 -32.4 18.6 75.0 28.6 51 51 A G T <5S+ 0 0 65 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.703 73.7 78.3 85.9 19.6 18.9 77.6 31.2 52 52 A R S - 0 0 67 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.623 29.2-111.0 -97.5 159.3 10.4 70.0 26.3 60 60 A K H > S+ 0 0 116 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.844 120.4 54.6 -54.7 -34.1 9.7 70.3 22.6 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 106.0 48.6 -68.5 -43.3 10.1 74.0 23.0 62 62 A E H > S+ 0 0 21 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 112.0 52.0 -62.8 -38.8 13.5 73.8 24.6 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -34,-0.3 0.961 109.4 47.2 -60.5 -53.1 14.5 71.5 21.7 64 64 A E H X S+ 0 0 64 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.791 111.1 53.0 -61.8 -26.8 13.3 73.9 19.0 65 65 A K H X S+ 0 0 93 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.934 110.5 46.4 -71.7 -46.3 15.1 76.7 20.8 66 66 A L H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.891 111.0 54.1 -59.8 -40.2 18.3 74.7 20.8 67 67 A F H X S+ 0 0 7 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.936 108.9 47.1 -60.9 -49.6 17.7 73.9 17.1 68 68 A N H X S+ 0 0 91 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.924 114.4 48.4 -57.8 -46.3 17.4 77.6 16.2 69 69 A Q H X S+ 0 0 87 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.924 114.4 45.5 -59.7 -45.9 20.6 78.3 18.2 70 70 A D H X S+ 0 0 34 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.815 109.9 51.3 -72.4 -31.9 22.4 75.4 16.5 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.890 113.0 47.9 -70.3 -36.2 21.4 76.2 12.9 72 72 A D H X S+ 0 0 91 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.903 110.8 50.5 -68.4 -41.6 22.5 79.8 13.5 73 73 A A H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.855 108.7 53.1 -65.8 -34.0 25.8 78.6 15.0 74 74 A A H X S+ 0 0 8 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.948 109.4 47.4 -65.2 -49.4 26.4 76.3 12.0 75 75 A V H X S+ 0 0 34 -4,-2.0 4,-1.9 1,-0.2 3,-0.2 0.911 113.9 46.8 -58.8 -46.4 25.8 79.1 9.4 76 76 A R H X S+ 0 0 94 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.874 107.7 56.9 -64.6 -38.5 28.1 81.5 11.3 77 77 A G H < S+ 0 0 11 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.823 106.9 50.5 -62.3 -30.8 30.8 78.8 11.7 78 78 A I H >< S+ 0 0 0 -4,-1.5 3,-1.1 -3,-0.2 7,-0.7 0.942 112.0 45.5 -70.0 -49.1 30.8 78.5 7.9 79 79 A L H 3< S+ 0 0 78 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.758 109.7 55.1 -66.9 -27.3 31.2 82.2 7.3 80 80 A R T 3< S+ 0 0 177 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.548 93.8 89.4 -84.0 -6.2 33.9 82.5 9.9 81 81 A N <> - 0 0 20 -3,-1.1 4,-2.7 -4,-0.3 -4,-0.0 -0.821 66.0-152.1-101.3 128.7 35.9 79.8 8.2 82 82 A A T 4 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.732 99.4 43.2 -64.0 -27.0 38.5 80.6 5.4 83 83 A K T 4 S+ 0 0 138 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.819 121.3 37.5 -89.8 -34.3 38.0 77.2 3.8 84 84 A L T >> S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.5 0.898 104.1 65.1 -85.1 -44.6 34.2 77.0 4.0 85 85 A K H 3X S+ 0 0 76 -4,-2.7 4,-2.9 -7,-0.7 5,-0.2 0.903 101.8 48.3 -47.2 -54.4 33.1 80.6 3.4 86 86 A P H 3> S+ 0 0 48 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.865 112.8 49.5 -58.5 -34.4 34.3 80.8 -0.3 87 87 A V H X> S+ 0 0 1 -3,-0.5 4,-1.0 -4,-0.5 3,-1.0 0.964 111.7 47.7 -66.7 -51.3 32.6 77.5 -1.0 88 88 A Y H >< S+ 0 0 35 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.917 107.4 57.0 -53.9 -47.7 29.3 78.6 0.5 89 89 A D H 3< S+ 0 0 73 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.764 106.8 50.0 -56.8 -28.4 29.5 81.9 -1.4 90 90 A S H << S+ 0 0 34 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.690 95.5 90.4 -86.5 -19.9 29.7 80.0 -4.7 91 91 A L S << S- 0 0 7 -4,-1.0 2,-0.1 -3,-1.0 31,-0.0 -0.359 74.8-115.2 -82.7 157.9 26.7 77.6 -4.2 92 92 A D > - 0 0 60 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.357 43.2 -94.1 -79.7 166.7 23.0 77.9 -5.0 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.855 122.3 48.8 -51.9 -48.2 20.4 78.0 -2.1 94 94 A V H > S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.942 113.3 46.3 -60.8 -48.7 19.6 74.3 -2.1 95 95 A R H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.806 106.6 59.3 -66.6 -27.9 23.3 73.3 -2.1 96 96 A R H X S+ 0 0 80 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.886 102.5 53.5 -66.7 -36.6 24.0 75.8 0.7 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.909 106.8 52.7 -61.3 -41.8 21.4 74.0 2.8 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.897 109.5 47.9 -60.5 -42.0 23.4 70.8 2.2 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.901 111.9 49.0 -67.3 -40.9 26.6 72.3 3.3 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.903 106.6 57.6 -63.9 -41.7 25.0 73.7 6.5 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.936 107.6 47.7 -53.8 -48.9 23.5 70.3 7.1 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.902 112.4 47.7 -60.5 -42.9 27.1 68.8 7.1 103 103 A V H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.863 108.3 55.7 -67.0 -36.0 28.4 71.5 9.5 104 104 A F H < S+ 0 0 23 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.909 116.1 38.0 -63.0 -40.3 25.4 71.0 11.8 105 105 A Q H < S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 133.1 20.0 -77.4 -45.1 26.3 67.3 12.0 106 106 A M H < S- 0 0 62 -4,-3.1 4,-0.5 -5,-0.2 -3,-0.2 0.555 102.3-117.9-105.9 -11.4 30.1 67.4 12.1 107 107 A G X - 0 0 31 -4,-2.3 4,-1.9 -5,-0.4 5,-0.2 0.064 36.3 -75.6 87.7 155.7 31.1 70.9 13.1 108 108 A E H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.921 130.0 47.7 -52.9 -54.4 33.1 73.5 11.2 109 109 A T H 4 S+ 0 0 121 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.872 110.7 52.9 -59.3 -38.3 36.5 72.0 11.7 110 110 A G H >4 S+ 0 0 32 -4,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.892 112.0 43.7 -66.0 -39.1 35.2 68.5 10.7 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.790 102.9 64.7 -76.3 -29.5 33.7 69.7 7.4 112 112 A A T 3< S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.657 89.9 73.2 -67.0 -12.3 36.8 71.8 6.6 113 113 A G T < S+ 0 0 57 -3,-0.6 2,-1.2 -4,-0.4 -1,-0.3 0.563 72.2 83.1 -77.7 -10.2 38.5 68.4 6.5 114 114 A F <> + 0 0 32 -3,-1.9 4,-3.2 1,-0.2 5,-0.3 -0.386 57.3 160.1 -90.3 56.9 36.8 67.5 3.2 115 115 A T H > + 0 0 100 -2,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.877 68.7 38.4 -45.4 -58.6 39.5 69.4 1.2 116 116 A N H > S+ 0 0 102 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.936 118.6 48.1 -64.7 -45.9 39.1 67.8 -2.2 117 117 A S H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.909 110.2 52.3 -60.6 -44.1 35.3 67.6 -2.1 118 118 A L H X S+ 0 0 10 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.911 109.2 49.7 -58.4 -44.5 34.9 71.2 -0.9 119 119 A R H X S+ 0 0 109 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.800 109.0 51.7 -66.1 -31.1 37.0 72.4 -3.8 120 120 A M H <>S+ 0 0 14 -4,-1.6 5,-3.6 2,-0.2 -1,-0.2 0.842 108.2 52.0 -74.3 -33.8 35.0 70.4 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.7 3,-0.2 -2,-0.2 0.936 107.9 51.5 -65.3 -45.5 31.8 71.9 -5.0 122 122 A Q H 3<5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.9 48.3 -62.0 -27.5 33.2 75.4 -5.3 123 123 A Q T 3<5S- 0 0 102 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.380 117.9-115.1 -92.0 0.7 34.1 74.6 -9.0 124 124 A K T < 5 + 0 0 117 -3,-1.7 2,-1.4 1,-0.2 -3,-0.2 0.790 63.4 151.2 68.7 30.7 30.6 73.2 -9.5 125 125 A R >< + 0 0 80 -5,-3.6 4,-2.7 1,-0.2 5,-0.2 -0.545 15.0 169.3 -92.7 68.7 31.8 69.6 -10.1 126 126 A W H > + 0 0 51 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.886 69.8 40.2 -46.4 -63.3 28.6 68.0 -8.7 127 127 A D H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 115.5 52.2 -62.1 -37.1 29.1 64.4 -9.7 128 128 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.935 112.6 44.8 -64.9 -45.4 32.8 64.4 -8.9 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.930 111.0 56.0 -62.4 -43.5 32.0 65.7 -5.4 130 130 A A H X S+ 0 0 7 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.848 109.1 44.6 -56.7 -41.7 29.2 63.2 -5.0 131 131 A V H < S+ 0 0 87 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.891 115.8 47.3 -72.3 -40.1 31.4 60.2 -5.7 132 132 A N H >< S+ 0 0 51 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.847 108.1 52.7 -72.3 -35.1 34.2 61.4 -3.4 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.808 102.5 61.8 -69.8 -26.5 31.9 62.4 -0.5 134 134 A A T 3< S+ 0 0 36 -4,-0.9 2,-0.9 -5,-0.3 -1,-0.2 0.659 93.6 68.0 -70.6 -16.5 30.5 58.8 -0.7 135 135 A K S < S+ 0 0 146 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.2 -0.665 86.2 97.3-104.5 74.6 34.0 57.5 0.1 136 136 A S S > S- 0 0 23 -2,-0.9 4,-2.4 -3,-0.1 5,-0.1 -0.987 84.3-110.1-156.7 163.9 34.4 58.7 3.7 137 137 A R H > S+ 0 0 203 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.813 119.1 59.5 -64.3 -31.7 34.1 57.8 7.3 138 138 A W H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 8,-0.2 0.958 106.9 44.4 -62.3 -50.9 31.0 60.1 7.4 139 139 A Y H 4 S+ 0 0 72 -6,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.946 114.4 50.1 -60.8 -45.4 29.3 58.0 4.7 140 140 A N H < S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 117.0 39.3 -61.0 -41.2 30.3 54.7 6.5 141 141 A Q H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 135.6 18.5 -80.3 -30.7 29.0 55.8 9.9 142 142 A T S X S+ 0 0 43 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 -0.555 72.8 158.3-139.4 72.1 25.9 57.6 8.6 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.781 71.8 52.5 -65.9 -36.7 25.2 56.2 5.1 144 144 A N H > S+ 0 0 118 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.961 116.9 39.3 -68.1 -49.4 21.5 57.0 4.8 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.955 115.3 51.9 -64.4 -48.5 22.0 60.6 5.8 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -8,-0.2 5,-0.2 0.920 109.6 51.9 -53.1 -45.4 25.2 61.0 3.7 147 147 A K H X S+ 0 0 129 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.924 110.9 45.7 -58.9 -47.3 23.4 59.6 0.7 148 148 A R H X S+ 0 0 68 -4,-2.1 4,-1.6 2,-0.2 12,-0.2 0.934 115.4 46.4 -62.0 -46.7 20.5 62.1 1.0 149 149 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.899 114.9 48.0 -62.8 -40.5 22.9 65.1 1.6 150 150 A I H X S+ 0 0 6 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.898 107.7 54.3 -67.6 -40.3 25.0 63.9 -1.4 151 151 A T H X S+ 0 0 23 -4,-2.8 4,-2.5 1,-0.2 6,-0.4 0.848 107.8 52.8 -60.8 -33.3 22.0 63.4 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.903 109.8 45.8 -68.9 -42.7 21.2 67.1 -2.8 153 153 A F H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.862 115.4 49.9 -67.6 -35.5 24.7 68.2 -3.8 154 154 A R H < S+ 0 0 89 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.962 124.5 22.8 -67.2 -55.0 24.4 66.1 -7.0 155 155 A T H < S- 0 0 58 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.722 87.2-134.9 -87.5 -28.2 21.0 67.2 -8.3 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.664 72.4 108.4 77.8 13.9 20.6 70.6 -6.6 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.748 78.0-124.7-119.7 168.7 17.0 69.5 -5.8 158 158 A W S >> S+ 0 0 44 -2,-0.2 3,-2.2 1,-0.2 4,-0.6 0.178 71.9 119.1 -96.3 13.1 15.1 68.5 -2.6 159 159 A D G >4 + 0 0 122 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.769 66.7 59.9 -50.9 -33.8 14.1 65.1 -4.0 160 160 A A G 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.633 111.3 42.8 -72.3 -11.2 15.9 63.1 -1.4 161 161 A Y G <4 0 0 18 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.463 360.0 360.0-112.7 -3.6 13.8 64.8 1.3 162 162 A K << 0 0 173 -4,-0.6 -3,-0.2 -3,-0.6 -2,-0.1 0.760 360.0 360.0-117.8 360.0 10.3 64.8 -0.4