==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-08 3C8R . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR B.H.M.MOOERS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.2 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 . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 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 90 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.9 43.3 -1.9 9.3 2 2 A N > - 0 0 67 1,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.875 360.0 -84.4-147.1 175.7 40.2 -0.7 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.858 124.3 51.7 -55.4 -37.6 38.0 2.4 11.4 4 4 A F H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.943 112.3 43.8 -67.2 -46.0 40.2 3.7 14.3 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.915 113.4 53.3 -64.6 -41.3 43.4 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.955 112.5 41.7 -59.3 -52.0 41.9 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.843 109.0 60.1 -67.2 -29.9 40.6 8.0 11.0 8 8 A R H X S+ 0 0 97 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.907 108.1 46.2 -64.7 -35.9 43.8 8.3 12.9 9 9 A I H < S+ 0 0 55 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.939 116.0 44.1 -70.2 -45.9 45.6 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.827 125.1 31.2 -68.5 -33.1 43.1 11.1 8.1 11 11 A E H < S- 0 0 46 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.651 91.2-154.7-101.1 -19.6 42.8 13.3 11.2 12 12 A G < - 0 0 26 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.147 25.4 -85.6 70.9-172.3 46.3 13.1 12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.949 42.7 169.9-141.4 119.6 46.8 13.7 16.5 14 14 A R E -A 28 0A 142 14,-1.9 14,-2.2 -2,-0.4 4,-0.1 -0.998 18.7-163.2-130.4 129.0 47.4 17.1 18.3 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.434 74.4 64.2 -90.4 -0.9 47.3 17.5 22.1 16 16 A K E S-C 57 0B 72 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.929 101.8 -86.5-121.4 146.8 47.0 21.3 22.0 17 17 A I E + 0 0 28 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.246 58.4 167.7 -53.4 132.3 44.0 23.3 20.6 18 18 A Y E -A 26 0A 28 8,-3.0 8,-3.6 -4,-0.1 2,-0.4 -0.840 36.4-103.8-138.2 173.6 44.4 23.8 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.871 32.3-137.3-104.3 138.6 42.3 25.0 13.9 20 20 A D > - 0 0 50 4,-2.8 3,-2.1 -2,-0.4 -1,-0.0 -0.124 42.2 -79.6 -81.6-174.9 41.0 22.4 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.739 133.8 50.8 -58.4 -24.5 40.9 22.9 7.6 22 22 A E T 3 S- 0 0 68 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.416 123.2-104.0 -93.4 -0.3 37.8 25.1 8.0 23 23 A G S < S+ 0 0 37 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.576 74.0 140.9 89.0 11.6 39.4 27.3 10.6 24 24 A Y - 0 0 81 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.684 60.7-102.0 -93.7 144.9 37.5 25.8 13.6 25 25 A Y E +AB 19 34A 36 9,-0.8 8,-3.0 11,-0.4 9,-1.4 -0.423 54.9 161.9 -64.6 123.8 38.9 25.1 17.0 26 26 A T E -AB 18 32A 3 -8,-3.6 -8,-3.0 6,-0.3 2,-0.3 -0.905 17.8-170.7-140.4 162.8 39.7 21.4 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 -12,-0.2 -0.974 50.9 3.4-152.2 165.3 41.8 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.9 -2,-0.3 2,-0.9 -0.375 123.9 -5.9 63.7-128.4 43.0 15.5 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.638 128.3 -52.9-103.4 72.8 42.0 13.3 16.8 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.775 84.1 160.7 68.1 28.2 39.8 15.6 14.9 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.8 1,-0.0 -1,-0.2 -0.703 32.8-143.8 -86.3 102.3 37.5 16.5 17.9 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.416 18.6-175.6 -64.7 131.1 35.8 19.7 17.0 33 33 A L E - 0 0 13 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.853 59.6 -28.2 -96.1 -44.7 35.3 21.9 20.0 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.971 35.3-135.9-168.9 155.7 33.3 24.8 18.6 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 -3,-0.0 0.429 76.1 108.4 -96.7 -1.2 32.6 26.8 15.4 36 36 A S S S- 0 0 45 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.500 74.8-131.5 -77.0 144.1 32.8 30.0 17.3 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.486 76.3 108.6 -73.2 -2.2 35.9 32.2 16.7 38 38 A S > - 0 0 52 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.670 53.3-164.9 -84.6 113.0 36.4 32.6 20.5 39 39 A L H > S+ 0 0 72 -2,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.842 94.5 57.7 -61.3 -30.6 39.4 30.7 21.8 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.922 103.9 50.4 -65.2 -42.9 37.8 31.2 25.2 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.941 110.5 50.3 -59.8 -44.8 34.7 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.898 109.1 51.7 -59.5 -42.2 36.9 26.6 22.8 43 43 A K H X S+ 0 0 58 -4,-2.4 4,-2.5 2,-0.2 11,-0.2 0.914 110.5 48.0 -62.5 -43.0 38.7 26.3 26.1 44 44 A S H X S+ 0 0 71 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.945 110.6 51.1 -63.8 -46.8 35.5 26.1 28.0 45 45 A E H X S+ 0 0 65 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.936 110.0 51.7 -56.4 -45.2 34.2 23.5 25.7 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.947 109.3 47.6 -57.0 -51.6 37.4 21.5 26.2 47 47 A D H X>S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 5,-1.0 0.886 112.5 50.7 -57.4 -39.2 37.2 21.6 30.0 48 48 A K H <5S+ 0 0 140 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.881 111.7 47.6 -65.7 -39.4 33.6 20.5 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 120.9 35.3 -68.5 -41.4 34.4 17.6 27.5 50 50 A I H <5S- 0 0 38 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.752 102.3-125.4 -86.1 -31.8 37.3 16.3 29.6 51 51 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.774 78.1 67.6 90.8 25.8 36.0 17.1 33.0 52 52 A R S - 0 0 9 -2,-0.8 3,-1.5 -11,-0.2 -1,-0.2 0.651 31.3-144.4 -95.5 -22.0 42.9 21.8 30.8 55 55 A N T 3 S- 0 0 125 1,-0.3 3,-0.1 -12,-0.1 -12,-0.1 0.648 75.8 -50.8 59.6 21.7 44.1 25.2 29.8 56 56 A G T 3 S+ 0 0 5 1,-0.2 -39,-1.8 -13,-0.2 2,-0.4 0.467 119.8 91.8 100.0 2.4 44.0 24.1 26.2 57 57 A V B < -C 16 0B 78 -3,-1.5 2,-0.3 -41,-0.2 -1,-0.2 -0.985 45.4-178.8-135.4 145.0 46.0 20.9 26.4 58 58 A I - 0 0 6 -43,-2.3 2,-0.1 -2,-0.4 -30,-0.1 -0.859 27.6-106.7-132.1 168.8 45.2 17.2 27.0 59 59 A T > - 0 0 63 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.466 34.9-108.3 -90.9 165.1 47.0 13.9 27.3 60 60 A K H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.833 120.9 54.5 -62.1 -35.7 47.1 11.2 24.7 61 61 A D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 108.7 48.8 -64.9 -41.2 44.8 9.0 26.8 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 110.2 50.7 -65.2 -42.4 42.3 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -34,-0.4 0.907 111.2 49.8 -61.2 -40.4 42.6 12.3 23.2 64 64 A E H X S+ 0 0 67 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.873 107.8 52.9 -67.6 -34.3 41.9 8.6 22.8 65 65 A K H X S+ 0 0 145 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 110.9 46.1 -65.6 -46.1 38.9 8.8 25.1 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.890 110.5 55.7 -61.3 -39.9 37.4 11.6 23.1 67 67 A F H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.925 106.0 48.9 -59.7 -48.6 38.2 9.7 19.9 68 68 A N H X S+ 0 0 90 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.900 112.5 49.1 -60.0 -40.5 36.3 6.5 21.0 69 69 A Q H X S+ 0 0 101 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.893 111.0 50.7 -65.4 -39.4 33.3 8.7 21.9 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.872 110.7 46.9 -67.5 -37.3 33.4 10.4 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.927 111.2 53.4 -70.2 -41.4 33.5 7.2 16.6 72 72 A D H X S+ 0 0 78 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.933 109.4 48.1 -56.2 -47.3 30.7 5.8 18.7 73 73 A A H X S+ 0 0 53 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.886 109.9 52.1 -62.2 -39.7 28.6 8.9 17.9 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.950 112.6 45.3 -62.8 -46.8 29.3 8.6 14.2 75 75 A V H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.935 113.2 48.7 -63.2 -45.9 28.2 5.0 14.2 76 76 A R H X S+ 0 0 149 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.880 108.0 56.1 -62.9 -34.1 25.1 5.6 16.2 77 77 A G H X S+ 0 0 2 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.923 109.0 47.1 -62.3 -43.4 24.3 8.5 13.9 78 78 A I H < S+ 0 0 2 -4,-2.0 3,-0.5 1,-0.2 7,-0.5 0.954 111.2 50.5 -62.6 -49.9 24.4 6.2 10.9 79 79 A L H < S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.773 113.7 45.0 -61.7 -28.0 22.3 3.5 12.6 80 80 A R H < S+ 0 0 172 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.686 92.2 95.9 -88.2 -22.6 19.6 6.0 13.6 81 81 A N X - 0 0 22 -4,-1.4 4,-2.6 -3,-0.5 -4,-0.0 -0.588 65.0-149.2 -78.0 125.6 19.4 7.8 10.2 82 82 A A T 4 S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.742 98.2 41.2 -62.9 -24.8 16.7 6.6 7.9 83 83 A K T > S+ 0 0 101 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.802 119.6 43.7 -92.3 -31.1 18.7 7.3 4.8 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.8 -6,-0.1 3,-0.4 0.887 100.8 63.7 -80.9 -44.7 22.1 6.1 6.1 85 85 A K H X S+ 0 0 81 -4,-2.6 4,-3.1 -7,-0.5 5,-0.2 0.889 100.6 50.1 -50.3 -48.9 21.2 2.9 7.8 86 86 A P H > S+ 0 0 53 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.867 114.4 45.9 -62.0 -35.4 20.0 0.9 4.7 87 87 A V H >X S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.4 3,-0.8 0.963 112.9 49.3 -71.3 -48.6 23.1 1.9 2.8 88 88 A Y H >< S+ 0 0 64 -4,-2.8 3,-1.1 1,-0.3 -3,-0.2 0.923 110.7 50.3 -55.3 -46.7 25.5 1.1 5.7 89 89 A D H 3< S+ 0 0 95 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.754 107.0 56.7 -65.8 -22.3 23.8 -2.3 6.2 90 90 A S H << S+ 0 0 37 -4,-0.9 -1,-0.2 -3,-0.8 2,-0.2 0.643 94.4 86.3 -82.9 -14.7 24.2 -3.1 2.5 91 91 A L S << S- 0 0 18 -3,-1.1 31,-0.0 -4,-0.9 30,-0.0 -0.593 79.2-114.1 -91.0 152.0 28.0 -2.6 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.224 45.2 -95.2 -70.4 166.4 30.8 -4.9 3.2 93 93 A A H > S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.843 120.8 49.5 -55.8 -40.5 33.0 -4.1 6.2 94 94 A V H >> S+ 0 0 28 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.958 113.0 44.7 -66.4 -51.5 35.7 -2.2 4.4 95 95 A R H >> S+ 0 0 27 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.857 106.1 63.1 -62.4 -32.3 33.4 0.1 2.5 96 96 A G H 3X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.3 -1,-0.3 0.884 98.1 56.9 -59.7 -36.4 31.3 0.6 5.7 97 97 A C H S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 129.1 49.5 -54.4 -49.6 25.1 12.6 9.8 109 109 A T H > S+ 0 0 118 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.923 109.3 52.6 -60.6 -43.5 23.1 15.4 8.3 110 110 A G H >< S+ 0 0 34 -4,-0.5 3,-0.7 1,-0.2 -2,-0.2 0.954 113.7 41.5 -57.0 -53.8 25.9 16.4 5.9 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.2 -1,-0.2 0.864 104.6 63.7 -66.0 -36.3 26.3 12.9 4.5 112 112 A A H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 94.2 65.9 -60.1 -24.9 22.6 12.1 4.3 113 113 A G T << S+ 0 0 55 -4,-1.1 2,-1.7 -3,-0.7 -1,-0.3 0.575 74.0 89.0 -72.7 -9.0 22.4 14.9 1.8 114 114 A F <> + 0 0 42 -3,-2.4 4,-2.6 1,-0.2 3,-0.3 -0.324 56.4 160.2 -84.8 54.8 24.6 12.9 -0.8 115 115 A T H > + 0 0 72 -2,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.847 64.1 43.3 -43.8 -56.6 21.4 11.4 -2.2 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.872 115.2 48.9 -64.4 -39.1 22.6 10.2 -5.6 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.917 110.1 52.7 -67.3 -42.1 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 109.2 49.0 -59.0 -44.9 24.1 7.0 -1.5 119 119 A R H X S+ 0 0 95 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.929 111.2 49.7 -61.8 -43.3 21.7 5.4 -4.0 120 120 A M H <>S+ 0 0 18 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.892 110.4 50.6 -63.8 -37.7 24.6 4.3 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.930 108.9 50.8 -65.8 -43.4 26.5 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.871 110.7 50.1 -61.2 -34.3 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 93 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.488 112.4-123.5 -82.3 -2.7 23.2 -0.4 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.766 61.3 147.0 65.1 29.6 26.9 -1.4 -5.8 125 125 A R >< + 0 0 91 -5,-2.5 4,-2.7 1,-0.2 5,-0.3 -0.615 20.5 174.2 -94.6 72.3 27.7 0.8 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.854 69.6 45.4 -49.3 -52.0 31.2 1.6 -7.4 127 127 A D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 115.2 48.2 -65.5 -39.9 32.7 3.5 -10.4 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 111.4 49.7 -67.4 -40.6 29.6 5.6 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.889 108.1 55.6 -62.3 -39.8 29.4 6.4 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.927 108.0 46.4 -60.4 -46.3 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 97 -4,-1.8 4,-0.7 1,-0.2 3,-0.2 0.945 114.6 48.2 -62.3 -46.1 32.6 9.9 -9.9 132 132 A N H >< S+ 0 0 32 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.917 108.6 53.1 -60.4 -45.7 29.5 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.3 -1,-0.2 0.839 103.7 58.4 -59.6 -35.2 31.1 11.7 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.6 2,-1.8 -5,-0.2 -1,-0.3 0.678 86.4 78.7 -71.1 -16.3 34.0 13.6 -6.4 135 135 A K S << S+ 0 0 156 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.534 81.7 100.6 -90.1 68.9 31.6 16.3 -7.7 136 136 A S S > S- 0 0 19 -2,-1.8 4,-2.0 1,-0.1 5,-0.1 -0.992 84.6-118.2-151.1 158.9 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 153 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.910 115.6 62.5 -61.9 -39.7 32.7 20.8 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.913 105.0 42.8 -49.0 -54.0 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.5 50.8 -62.5 -42.7 36.4 16.6 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.801 114.6 41.1 -69.4 -28.2 37.4 20.1 -3.7 141 141 A Q H < S+ 0 0 107 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.842 132.5 20.2 -88.3 -36.4 38.3 21.3 -0.2 142 142 A T S X S+ 0 0 22 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.524 73.7 161.1-132.3 67.6 40.1 18.2 1.1 143 143 A P H > + 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.843 69.7 52.9 -57.4 -43.0 41.0 16.3 -2.1 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.948 115.9 41.0 -62.6 -46.3 43.7 13.9 -0.7 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.951 115.1 50.7 -65.2 -48.8 41.5 12.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.894 108.3 54.0 -56.8 -39.7 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 97 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 107.9 49.6 -63.0 -38.3 40.5 10.5 -2.7 148 148 A R H X S+ 0 0 52 -4,-1.6 4,-1.4 -3,-0.2 -2,-0.2 0.912 114.5 44.2 -67.2 -41.3 41.4 8.0 -0.0 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.926 114.1 48.4 -68.3 -45.5 37.8 7.6 1.0 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.888 109.7 53.1 -62.5 -40.7 36.5 7.4 -2.5 151 151 A T H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.2 6,-0.3 0.853 107.5 53.0 -63.3 -33.1 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.922 110.1 45.9 -68.0 -44.0 38.0 2.8 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 114.7 50.6 -65.0 -39.2 34.4 2.8 -1.6 154 154 A R H < S+ 0 0 107 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.919 124.5 22.6 -66.4 -44.4 35.5 2.0 -5.2 155 155 A T H < S- 0 0 48 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.680 84.8-136.1-100.1 -20.6 37.7 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.731 73.0 103.3 70.3 19.3 36.5 -2.3 -1.1 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.800 79.6-121.2-126.5 171.7 40.2 -2.7 -0.1 158 158 A W S >> S+ 0 0 54 -2,-0.3 3,-2.6 1,-0.2 4,-0.7 0.233 71.7 121.3 -96.4 12.5 42.6 -0.7 2.2 159 159 A D G >4 + 0 0 112 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.817 67.6 58.1 -45.0 -41.1 45.0 0.0 -0.6 160 160 A A G 34 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.641 108.9 45.7 -68.2 -14.9 44.7 3.8 -0.3 161 161 A Y G X4 S+ 0 0 4 -3,-2.6 3,-0.5 -13,-0.1 2,-0.3 0.437 89.6 106.7-106.1 -1.8 45.8 3.6 3.3 162 162 A K T << S+ 0 0 166 -3,-1.2 -3,-0.0 -4,-0.7 0, 0.0 -0.605 80.6 22.0 -80.8 135.5 48.7 1.3 2.6 163 163 A N T 3 0 0 91 -2,-0.3 -1,-0.2 0, 0.0 -4,-0.0 0.893 360.0 360.0 76.1 44.4 52.2 2.9 2.8 164 164 A L < 0 0 142 -3,-0.5 -2,-0.1 0, 0.0 -3,-0.1 0.607 360.0 360.0-126.4 360.0 51.1 5.8 5.0