==== 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) 28-JAN-91 1L50 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAOPIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8618.0 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 1 0 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 70 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 144.2 36.7 -23.3 8.9 2 2 A N > - 0 0 68 95,-0.0 4,-2.4 1,-0.0 3,-0.2 -0.888 360.0 -91.9-137.9 170.2 34.6 -20.9 10.9 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.842 122.6 53.2 -54.9 -38.1 34.2 -17.1 11.2 4 4 A F H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 112.2 42.1 -65.8 -47.6 36.8 -17.0 14.1 5 5 A E H > S+ 0 0 91 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.835 114.3 53.6 -66.3 -33.8 39.5 -18.9 12.2 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.925 111.6 43.5 -67.2 -43.4 38.7 -16.9 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.4 0.806 108.7 58.7 -69.0 -31.5 39.1 -13.6 10.9 8 8 A R H X S+ 0 0 102 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.874 105.7 50.1 -66.3 -30.3 42.2 -14.8 12.7 9 9 A I H < S+ 0 0 54 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.966 116.5 40.9 -73.0 -44.1 43.8 -15.4 9.3 10 10 A D H < S+ 0 0 21 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.787 125.9 30.2 -73.8 -30.0 42.9 -12.0 8.0 11 11 A E H < S- 0 0 32 -4,-2.0 19,-0.3 -5,-0.1 -3,-0.2 0.780 90.2-153.7-103.0 -35.3 43.7 -9.9 11.0 12 12 A G < - 0 0 18 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.176 24.1 -84.7 83.3-179.2 46.4 -11.8 12.7 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.994 42.5 172.0-128.4 129.2 47.2 -11.6 16.5 14 14 A R E -A 28 0A 129 14,-1.3 14,-2.4 -2,-0.4 4,-0.1 -0.998 17.8-166.2-137.9 124.1 49.3 -8.9 18.1 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.381 74.9 62.6 -92.1 2.8 49.7 -8.6 21.9 16 16 A K E S-C 57 0B 107 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.919 102.0 -88.5-122.2 148.6 51.2 -5.1 21.9 17 17 A I E + 0 0 21 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.306 57.8 172.5 -52.7 142.4 49.4 -1.9 20.5 18 18 A Y E -A 26 0A 30 8,-2.4 8,-3.0 6,-0.1 2,-0.5 -0.894 35.4-103.3-145.9 169.8 50.1 -1.6 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.859 34.7-139.3 -99.2 130.9 49.0 0.5 13.8 20 20 A D > - 0 0 47 4,-3.0 3,-2.0 -2,-0.5 -1,-0.0 -0.115 42.0 -79.6 -76.1-168.9 46.5 -1.1 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.819 135.2 49.6 -63.3 -31.4 46.7 -0.7 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.385 123.4-104.7 -85.1 -2.4 45.1 2.7 8.0 23 23 A G S < S+ 0 0 35 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.568 73.7 140.0 88.0 13.1 47.5 3.8 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-3.0 -5,-0.0 2,-0.3 -0.640 60.9 -97.4 -96.3 153.9 45.1 3.5 13.6 25 25 A Y E +AB 19 34A 29 9,-0.7 8,-3.2 11,-0.4 9,-1.4 -0.494 54.9 161.7 -65.4 121.2 45.9 2.1 17.0 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.4 -2,-0.3 2,-0.3 -0.810 18.9-168.5-137.0 165.1 44.8 -1.5 17.3 27 27 A I E > - B 0 31A 0 4,-1.2 4,-2.0 -2,-0.3 -12,-0.2 -0.960 53.1 -5.1-152.8 158.4 45.5 -4.5 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.3 -2,-0.3 2,-1.0 -0.291 123.8 -0.8 63.2-125.8 44.9 -8.3 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.651 127.0 -56.1-103.9 77.4 42.9 -9.6 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.764 82.7 159.8 60.7 33.4 42.0 -6.5 14.7 31 31 A H E < -B 27 0A 34 -4,-2.0 -4,-1.2 1,-0.0 -1,-0.2 -0.724 34.5-141.3 -88.5 102.5 40.4 -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 -0.311 20.1-176.2 -61.6 132.0 40.5 -1.0 16.8 33 33 A L E - 0 0 13 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.904 58.9 -23.8 -95.1 -50.6 41.3 1.1 19.8 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.986 35.0-139.4-158.0 153.5 41.0 4.7 18.6 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.454 74.8 118.1 -93.2 -1.7 41.3 6.7 15.4 36 36 A S - 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.285 69.4-136.0 -65.2 137.3 43.2 9.2 17.5 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.569 76.7 100.5 -74.5 -2.7 46.8 10.0 16.7 38 38 A S > - 0 0 50 1,-0.2 4,-2.4 -13,-0.0 5,-0.2 -0.760 58.8-160.2 -97.2 118.5 47.7 9.8 20.3 39 39 A L H > S+ 0 0 65 -2,-0.7 4,-1.6 1,-0.3 -1,-0.2 0.726 100.3 54.4 -56.2 -26.9 49.4 6.7 21.6 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.923 102.7 52.1 -76.8 -43.3 48.2 7.9 25.0 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 112.6 50.5 -52.6 -44.6 44.6 8.1 23.8 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.842 107.3 50.2 -63.4 -39.1 45.2 4.5 22.7 43 43 A K H X S+ 0 0 51 -4,-1.6 4,-2.2 1,-0.2 11,-0.3 0.897 110.4 51.4 -71.1 -32.9 46.6 3.3 26.0 44 44 A S H X S+ 0 0 70 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.875 110.1 48.0 -63.8 -47.7 43.7 4.8 27.8 45 45 A E H X S+ 0 0 62 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.933 110.6 54.0 -62.0 -45.2 41.1 3.1 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.924 108.7 45.5 -57.1 -46.9 43.0 -0.1 26.1 47 47 A D H X>S+ 0 0 34 -4,-2.2 4,-2.3 1,-0.2 5,-0.6 0.859 112.4 52.5 -68.0 -34.5 42.9 0.0 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.1 47.3 -63.7 -44.1 39.2 1.0 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.869 120.4 36.5 -68.1 -30.9 38.5 -2.0 27.4 50 50 A I H <5S- 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.774 99.7-126.6 -95.2 -30.7 40.4 -4.6 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.3 2,-0.3 1,-0.4 -3,-0.1 0.651 77.5 75.5 91.1 15.9 39.7 -3.3 33.0 52 52 A R S - 0 0 6 -2,-0.9 3,-1.7 -11,-0.3 -1,-0.2 0.675 31.2-145.6 -96.0 -20.6 47.9 -2.7 30.6 55 55 A N T 3 S- 0 0 124 1,-0.3 -2,-0.1 -12,-0.1 -12,-0.1 0.928 74.5 -54.0 54.6 47.9 50.6 -0.4 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.510 120.4 98.2 68.4 6.5 50.0 -1.1 25.9 57 57 A V B < +C 16 0B 60 -3,-1.7 2,-0.2 -41,-0.2 -41,-0.2 -0.970 45.9 177.8-131.4 138.5 50.3 -4.9 26.3 58 58 A I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.789 26.3-112.4-128.0 169.4 47.6 -7.7 26.8 59 59 A T > - 0 0 67 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.502 33.9-104.8 -95.6 166.4 47.6 -11.5 27.1 60 60 A K H > S+ 0 0 108 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.885 122.5 54.3 -57.8 -48.0 46.3 -14.0 24.6 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.872 107.9 49.2 -54.2 -44.2 43.3 -14.6 26.8 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.882 111.4 50.2 -65.3 -41.5 42.5 -10.8 26.8 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -34,-0.4 0.815 109.5 49.5 -61.2 -43.1 42.8 -10.7 23.1 64 64 A E H X S+ 0 0 73 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.816 109.1 54.1 -72.0 -26.4 40.6 -13.6 22.5 65 65 A K H X S+ 0 0 136 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.955 108.6 46.6 -70.2 -46.3 38.1 -12.0 24.8 66 66 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.874 112.0 54.2 -59.7 -38.4 38.0 -8.8 22.9 67 67 A F H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.917 105.2 51.3 -64.5 -44.4 37.7 -11.0 19.8 68 68 A N H X S+ 0 0 92 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.895 112.3 48.5 -62.0 -36.2 34.7 -12.8 21.1 69 69 A Q H X S+ 0 0 93 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 109.9 49.1 -69.9 -41.0 33.1 -9.5 21.8 70 70 A D H X S+ 0 0 35 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.821 111.9 48.3 -66.6 -34.7 33.7 -8.0 18.5 71 71 A V H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.930 113.3 48.3 -73.4 -41.7 32.4 -10.9 16.5 72 72 A D H X S+ 0 0 86 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.938 113.3 46.8 -59.8 -47.0 29.3 -11.0 18.7 73 73 A A H X S+ 0 0 45 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.884 110.5 53.1 -63.8 -39.0 28.8 -7.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.967 112.0 46.1 -59.2 -54.1 29.4 -7.6 14.4 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.939 114.3 46.2 -51.9 -52.8 26.7 -10.4 14.2 76 76 A R H X S+ 0 0 110 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.866 109.5 56.9 -61.1 -34.7 24.1 -8.4 16.3 77 77 A G H X S+ 0 0 3 -4,-2.0 4,-0.7 -5,-0.3 3,-0.3 0.932 107.0 46.6 -65.9 -42.7 24.9 -5.4 14.3 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 7,-0.5 0.896 111.1 53.3 -61.0 -42.2 23.9 -7.1 11.0 79 79 A L H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 112.5 43.9 -69.8 -24.2 20.8 -8.5 12.6 80 80 A R H 3< S+ 0 0 170 -4,-1.5 2,-0.5 -3,-0.3 -1,-0.3 0.419 93.0 93.1 -95.6 -9.6 19.7 -5.1 13.7 81 81 A N > S+ 0 0 0 -7,-0.2 4,-2.6 2,-0.1 3,-0.6 0.877 101.9 66.8 -83.6 -47.8 22.1 -5.9 6.2 85 85 A K H 3X S+ 0 0 76 -4,-2.3 4,-3.2 -7,-0.5 5,-0.2 0.913 99.8 49.5 -43.5 -55.3 19.6 -8.3 7.9 86 86 A P H 3> S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.868 112.8 48.5 -60.8 -32.9 17.7 -9.3 4.8 87 87 A V H <> S+ 0 0 2 -3,-0.6 4,-0.7 -4,-0.4 3,-0.4 0.956 112.6 47.4 -71.3 -43.9 20.9 -10.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.9 1,-0.2 -3,-0.2 0.957 110.6 53.0 -56.7 -50.5 22.3 -12.0 5.7 89 89 A D H 3< S+ 0 0 78 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 107.9 51.7 -57.2 -31.4 19.0 -13.9 6.0 90 90 A S H 3< S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.4 2,-0.2 0.582 96.5 91.3 -81.0 -13.3 19.1 -14.8 2.3 91 91 A L S << S- 0 0 6 -3,-1.9 31,-0.0 -4,-0.7 30,-0.0 -0.606 73.1-118.6 -94.6 157.6 22.7 -16.2 2.3 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.059 45.5 -90.6 -74.3 176.6 24.2 -19.7 2.8 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.892 123.0 45.6 -61.0 -41.2 26.6 -20.4 5.8 94 94 A V H > S+ 0 0 22 62,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.950 113.6 47.9 -66.1 -49.1 29.8 -19.6 4.0 95 95 A R H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 106.4 58.1 -62.9 -34.4 28.6 -16.4 2.5 96 96 A R H X S+ 0 0 85 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.916 103.8 53.6 -59.3 -43.7 27.2 -15.2 5.8 97 97 A C H X S+ 0 0 18 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.903 105.4 54.6 -53.6 -42.8 30.7 -15.6 7.2 98 98 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.927 107.6 48.1 -62.8 -44.3 32.0 -13.3 4.4 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 110.1 52.5 -66.8 -34.7 29.5 -10.6 5.3 100 100 A I H X S+ 0 0 7 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.952 108.1 51.8 -64.7 -39.1 30.5 -10.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.967 110.8 47.4 -57.1 -50.8 34.2 -10.4 8.0 102 102 A M H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.871 112.7 49.1 -56.7 -45.5 33.3 -7.3 6.0 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.916 109.6 51.7 -63.4 -41.2 31.3 -5.9 8.9 104 104 A F H < S+ 0 0 30 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.881 116.5 40.6 -62.0 -40.3 34.0 -6.6 11.4 105 105 A Q H < S+ 0 0 58 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.890 131.5 19.4 -77.9 -42.5 36.6 -4.8 9.1 106 106 A M H X S- 0 0 50 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.417 103.1-113.1-119.4 7.4 34.6 -1.8 8.0 107 107 A G H X - 0 0 35 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.250 34.7 -81.2 73.7 153.6 31.7 -1.4 10.3 108 108 A E H > S+ 0 0 55 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.897 126.9 52.0 -53.2 -48.9 28.0 -1.8 9.7 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.922 107.8 52.6 -62.6 -40.8 27.5 1.6 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.7 2,-0.2 4,-0.3 0.939 113.2 40.0 -65.2 -46.5 30.3 1.0 5.7 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.913 107.9 63.5 -67.8 -38.3 29.1 -2.3 4.3 112 112 A A H 3< S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.793 94.9 65.9 -53.4 -24.9 25.5 -0.9 4.4 113 113 A G T << S+ 0 0 52 -4,-1.2 2,-2.2 -3,-0.7 3,-0.3 0.628 75.3 85.1 -69.4 -21.6 26.9 1.6 1.8 114 114 A F <> + 0 0 42 -3,-2.4 4,-2.6 -4,-0.3 3,-0.4 -0.289 55.5 160.2 -82.7 58.0 27.6 -1.0 -0.8 115 115 A T H > + 0 0 90 -2,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.859 67.0 45.2 -46.3 -53.1 24.0 -0.8 -2.0 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.855 115.2 47.8 -66.0 -37.3 24.5 -2.3 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.893 108.3 53.1 -70.0 -46.2 26.5 -5.1 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.903 109.4 50.7 -54.4 -42.5 24.2 -6.0 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.924 110.4 50.0 -63.4 -42.3 21.3 -6.2 -4.0 120 120 A M H <>S+ 0 0 27 -4,-1.7 5,-2.8 2,-0.2 4,-0.4 0.890 110.3 48.5 -65.6 -42.3 23.4 -8.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-2.0 3,-0.2 -2,-0.2 0.953 109.6 53.6 -64.0 -41.0 24.2 -10.8 -3.4 122 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.921 109.7 47.3 -58.1 -40.5 20.6 -10.9 -2.4 123 123 A Q T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.437 114.8-120.3 -79.6 -2.8 19.7 -11.9 -5.9 124 124 A K T < 5 + 0 0 100 -3,-2.0 2,-1.2 -4,-0.4 -3,-0.2 0.813 60.7 150.3 65.8 33.1 22.5 -14.5 -5.8 125 125 A R >< + 0 0 119 -5,-2.8 4,-2.4 1,-0.2 -1,-0.2 -0.722 18.8 173.7 -97.4 79.1 24.2 -13.0 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.888 69.5 41.7 -53.8 -58.6 27.7 -14.1 -7.6 127 127 A D H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 114.9 51.7 -64.8 -37.2 29.9 -13.2 -10.4 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.917 110.2 48.4 -69.1 -40.4 28.3 -9.9 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.847 107.2 56.8 -63.2 -35.7 28.6 -9.0 -7.3 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.936 109.4 46.4 -58.9 -48.4 32.3 -10.1 -7.3 131 131 A V H X S+ 0 0 91 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.909 114.2 47.9 -61.0 -44.2 33.0 -7.6 -10.1 132 132 A N H >< S+ 0 0 41 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.933 107.5 53.8 -63.8 -48.2 31.0 -4.8 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.785 98.6 64.9 -61.1 -25.2 32.7 -5.3 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-1.5 -3,-0.3 -1,-0.2 0.719 85.4 77.5 -71.5 -16.5 36.1 -4.9 -6.6 135 135 A K S << S+ 0 0 156 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 -0.524 80.7 96.1 -87.9 64.0 35.3 -1.3 -7.5 136 136 A S S > S- 0 0 20 -2,-1.5 4,-1.9 1,-0.1 5,-0.3 -0.998 84.3-117.2-152.3 156.9 35.9 0.0 -4.1 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.909 114.8 64.1 -56.9 -40.1 38.5 1.7 -2.0 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.910 104.7 42.6 -48.4 -55.1 38.3 -1.5 0.2 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.855 115.9 47.4 -62.2 -45.2 39.6 -3.6 -2.7 140 140 A N H < S+ 0 0 113 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.825 116.2 46.4 -70.7 -29.0 42.4 -1.2 -3.8 141 141 A Q H < S+ 0 0 103 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.865 131.1 14.4 -80.4 -42.3 43.5 -0.7 -0.2 142 142 A T S X S+ 0 0 22 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 -0.539 74.4 165.6-131.3 64.0 43.7 -4.3 1.1 143 143 A P H > + 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.819 69.4 52.4 -53.8 -41.0 43.5 -6.3 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.945 116.3 41.0 -65.5 -43.4 44.6 -9.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 115.2 50.0 -64.0 -51.3 42.0 -9.8 1.9 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -8,-0.2 5,-0.2 0.935 111.2 51.0 -56.4 -45.1 39.3 -8.3 -0.3 147 147 A K H X S+ 0 0 84 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.874 107.2 52.8 -62.2 -34.9 40.1 -11.0 -2.9 148 148 A R H X S+ 0 0 51 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.961 114.9 41.4 -61.9 -46.3 39.7 -13.7 -0.3 149 149 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.948 115.6 50.0 -63.7 -49.7 36.3 -12.3 0.7 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.868 110.0 49.9 -58.3 -41.3 35.3 -11.7 -2.9 151 151 A T H X S+ 0 0 40 -4,-2.2 4,-2.3 -5,-0.2 5,-0.3 0.906 108.9 53.7 -65.4 -40.2 36.3 -15.3 -3.9 152 152 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.878 109.2 46.1 -61.9 -43.4 34.4 -16.7 -1.1 153 153 A F H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 113.7 55.1 -66.8 -34.7 31.1 -14.8 -2.2 154 154 A R H < S+ 0 0 101 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.916 124.0 16.5 -61.1 -47.7 31.9 -16.0 -5.6 155 155 A T H < S- 0 0 51 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.631 86.7-132.6-108.0 -20.3 32.2 -19.7 -5.0 156 156 A G S < S+ 0 0 18 -4,-2.6 2,-0.2 -5,-0.3 -62,-0.2 0.712 72.5 103.8 72.8 19.1 30.5 -20.2 -1.7 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.733 79.1-118.9-125.1 173.0 33.4 -22.3 -0.5 158 158 A W S > S+ 0 0 31 -2,-0.2 3,-1.8 1,-0.2 4,-0.2 0.209 74.5 118.1 -96.4 10.2 36.4 -21.8 1.9 159 159 A D G >> + 0 0 96 1,-0.3 3,-2.6 2,-0.2 4,-0.5 0.872 67.3 59.8 -45.3 -47.9 38.9 -22.5 -0.8 160 160 A A G 34 S+ 0 0 15 1,-0.3 4,-0.3 -3,-0.3 -1,-0.3 0.753 112.2 39.9 -55.0 -24.0 40.5 -19.0 -0.6 161 161 A Y G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.311 96.8 80.8-104.3 1.0 41.4 -19.6 2.9 162 162 A K T <4 S+ 0 0 133 -3,-2.6 -2,-0.2 -4,-0.2 -3,-0.1 0.468 90.7 54.9 -89.9 -0.6 42.4 -23.3 2.5 163 163 A N < 0 0 129 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.875 360.0 360.0 -78.6 -54.3 45.6 -22.3 1.3 164 164 A L 0 0 119 -4,-0.3 -2,-0.2 0, 0.0 -3,-0.1 0.637 360.0 360.0 -78.0 360.0 46.5 -20.1 4.4