==== 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 3C8Q . 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) . 8638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 8 4.9 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 77 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 130.1 43.5 -1.8 9.2 2 2 A N > - 0 0 71 95,-0.0 4,-2.6 1,-0.0 3,-0.2 -0.845 360.0 -81.6-144.1 174.1 40.3 -0.8 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.828 124.3 53.0 -51.4 -40.4 38.2 2.4 11.4 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 112.0 43.3 -65.5 -45.9 40.4 3.7 14.2 5 5 A E H > S+ 0 0 85 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.882 113.9 53.5 -64.2 -40.1 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.961 113.1 40.6 -61.6 -53.1 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.845 110.0 59.1 -65.7 -32.2 40.7 7.9 11.0 8 8 A R H X S+ 0 0 107 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.892 108.5 47.3 -63.9 -35.7 43.9 8.3 12.9 9 9 A I H < S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.4 42.3 -69.4 -45.6 45.6 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.796 125.8 31.4 -71.3 -31.3 43.1 11.1 8.1 11 11 A E H < S- 0 0 44 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.674 90.0-154.5-100.3 -24.2 42.8 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.164 25.4 -89.9 72.5-170.7 46.2 13.1 12.8 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.956 41.0 173.2-143.9 120.8 46.6 13.7 16.6 14 14 A R E -A 28 0A 132 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -0.998 18.8-160.5-130.3 130.9 47.3 17.1 18.2 15 15 A L E S+ 0 0 70 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.418 75.6 63.3 -90.1 -0.6 47.2 17.6 22.1 16 16 A K E S-C 57 0B 67 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.936 101.8 -85.9-123.8 146.3 46.7 21.3 21.9 17 17 A I E + 0 0 23 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.193 57.8 169.8 -49.9 135.0 43.8 23.3 20.6 18 18 A Y E -A 26 0A 24 8,-3.0 8,-3.3 -4,-0.1 2,-0.4 -0.894 36.1-105.2-142.8 169.7 44.2 23.8 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.855 33.9-138.4-101.0 136.0 42.1 25.0 13.9 20 20 A D > - 0 0 49 4,-2.5 3,-2.0 -2,-0.4 -1,-0.1 -0.105 42.2 -78.5 -80.6-174.4 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.767 134.7 49.2 -58.7 -23.9 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.434 123.4-103.2 -93.5 -0.8 37.7 25.0 7.9 23 23 A G S < S+ 0 0 33 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.493 74.3 142.3 91.8 7.0 39.2 27.2 10.6 24 24 A Y - 0 0 76 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.646 59.4-103.5 -87.3 142.6 37.2 25.6 13.5 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.2 11,-0.4 9,-1.4 -0.373 54.9 161.1 -62.8 125.5 38.7 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-3.0 6,-0.3 2,-0.3 -0.908 19.0-169.7-142.2 163.9 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.982 50.9 3.9-153.3 164.1 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-1.1 -0.402 123.7 -5.3 66.3-131.1 42.9 15.4 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.678 128.3 -53.7-102.0 75.0 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.1 2,-1.1 -19,-0.4 -2,-0.2 0.756 83.7 162.3 66.3 26.8 39.7 15.6 14.8 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.7 1,-0.0 -1,-0.2 -0.663 32.4-142.3 -82.5 102.5 37.5 16.3 17.8 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.379 20.5-177.8 -63.1 131.3 35.6 19.5 16.9 33 33 A L E - 0 0 15 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.864 59.2 -26.8 -97.6 -42.8 35.1 21.8 19.9 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.968 33.9-138.1-168.3 156.2 33.2 24.7 18.4 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.504 75.3 109.4 -95.9 -9.5 32.4 26.6 15.2 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.408 73.8-132.3 -70.9 145.2 32.6 29.8 17.2 37 37 A P S S+ 0 0 115 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.553 76.2 106.1 -71.8 -10.2 35.5 32.1 16.6 38 38 A S > - 0 0 55 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.635 54.8-162.7 -80.4 117.4 36.1 32.5 20.3 39 39 A L H > S+ 0 0 75 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.813 94.8 55.9 -65.1 -28.6 39.1 30.6 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 103.7 52.6 -71.0 -37.2 37.7 31.0 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.920 110.5 49.0 -60.0 -43.1 34.5 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.897 108.6 52.3 -64.7 -39.5 36.6 26.5 22.7 43 43 A K H X S+ 0 0 58 -4,-2.2 4,-2.2 2,-0.2 11,-0.3 0.897 110.0 49.8 -64.9 -36.8 38.5 26.3 26.0 44 44 A S H X S+ 0 0 71 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.956 110.5 48.4 -65.6 -48.9 35.3 26.1 27.8 45 45 A E H X S+ 0 0 66 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 110.2 54.4 -57.7 -42.1 33.9 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.945 108.7 45.9 -56.9 -50.4 37.2 21.5 26.1 47 47 A D H X>S+ 0 0 37 -4,-2.2 4,-2.9 1,-0.2 5,-1.3 0.896 112.8 51.2 -60.6 -40.3 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 138 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.866 111.0 48.2 -64.6 -40.3 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.882 121.1 35.4 -69.7 -37.5 34.3 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.739 102.4-125.5 -89.0 -28.9 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.821 77.6 65.5 87.1 30.5 35.9 17.1 32.9 52 52 A R S - 0 0 9 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.666 31.8-143.9 -92.5 -25.1 42.7 21.8 30.7 55 55 A N T 3 S- 0 0 125 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.853 75.4 -51.9 56.9 41.3 43.9 25.2 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.439 120.4 91.5 80.8 -0.4 43.8 24.2 26.1 57 57 A V B < -C 16 0B 75 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.964 46.6-178.2-132.8 147.9 45.9 21.0 26.3 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.867 26.7-104.5-134.6 170.8 45.1 17.3 26.9 59 59 A T > - 0 0 59 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.514 33.0-110.1 -94.1 164.1 46.9 14.0 27.3 60 60 A K H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 120.9 53.1 -59.9 -37.9 47.1 11.2 24.7 61 61 A D H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 109.1 48.8 -67.0 -37.0 44.8 9.1 26.8 62 62 A E H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 110.4 51.6 -66.7 -43.5 42.3 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -34,-0.4 0.921 110.6 48.5 -58.3 -45.4 42.6 12.3 23.2 64 64 A E H X S+ 0 0 72 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.872 108.2 53.8 -64.7 -35.0 41.9 8.6 22.7 65 65 A K H X S+ 0 0 134 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.923 109.7 47.2 -64.8 -45.3 38.9 8.6 25.0 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.903 110.5 54.5 -60.8 -41.1 37.4 11.4 23.0 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.921 107.0 48.8 -60.5 -46.0 38.2 9.4 19.9 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.938 112.9 48.8 -60.3 -43.9 36.4 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.909 111.9 49.6 -61.5 -42.3 33.4 8.4 22.0 70 70 A D H X S+ 0 0 32 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.865 110.9 47.0 -65.3 -39.8 33.4 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.934 112.6 50.8 -68.6 -43.9 33.6 6.9 16.7 72 72 A D H X S+ 0 0 113 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.946 110.6 49.8 -57.7 -46.5 30.8 5.3 18.7 73 73 A A H X S+ 0 0 54 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.906 109.1 51.4 -61.2 -41.4 28.7 8.4 18.2 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.945 112.9 44.6 -62.0 -47.5 29.2 8.4 14.4 75 75 A V H X S+ 0 0 35 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.942 114.4 49.3 -60.6 -47.7 28.2 4.7 14.1 76 76 A R H X S+ 0 0 54 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.898 110.3 51.5 -58.1 -43.1 25.3 5.2 16.4 77 77 A G H X S+ 0 0 3 -4,-2.7 4,-0.9 -5,-0.3 3,-0.3 0.911 108.5 50.9 -63.2 -40.7 24.2 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 7,-0.5 0.950 109.6 50.6 -61.0 -47.8 24.4 6.2 11.1 79 79 A L H 3< S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.720 111.1 47.9 -64.4 -23.2 22.2 3.5 12.6 80 80 A R H 3< S+ 0 0 174 -4,-1.3 2,-0.6 -3,-0.3 -1,-0.3 0.560 93.1 96.2 -92.4 -12.6 19.6 5.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.4 0.874 101.0 66.0 -84.3 -43.5 22.1 6.1 6.2 85 85 A K H X S+ 0 0 87 -4,-3.2 4,-2.8 -7,-0.5 5,-0.3 0.897 99.1 51.4 -48.5 -49.5 21.2 2.9 7.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.892 112.7 47.0 -59.3 -37.6 20.1 1.0 4.7 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-1.4 -3,-0.4 -2,-0.2 0.960 111.5 49.1 -69.8 -46.4 23.3 1.9 3.0 88 88 A Y H < S+ 0 0 45 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.898 111.8 50.2 -58.3 -41.6 25.5 0.9 5.9 89 89 A D H < S+ 0 0 90 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.853 109.6 51.8 -67.4 -32.5 23.7 -2.4 6.2 90 90 A S H < S+ 0 0 42 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.710 96.8 83.2 -78.1 -17.9 24.1 -3.1 2.5 91 91 A L S < S- 0 0 10 -4,-1.4 31,-0.0 -3,-0.4 30,-0.0 -0.561 79.6-112.3 -88.4 155.8 27.8 -2.5 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.183 43.4 -94.2 -73.1 169.3 30.7 -4.9 3.2 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.851 121.7 49.1 -57.6 -40.2 32.9 -4.2 6.2 94 94 A V H >> S+ 0 0 31 1,-0.2 4,-1.1 62,-0.2 3,-1.0 0.970 112.9 46.8 -66.3 -50.4 35.6 -2.3 4.5 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.868 103.4 63.4 -60.9 -33.3 33.2 0.0 2.6 96 96 A D H 3X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.861 98.6 57.6 -57.7 -33.8 31.3 0.6 5.9 97 97 A C H S+ 0 0 51 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.871 129.8 53.1 -57.4 -46.5 25.1 12.7 9.5 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.924 109.0 48.5 -59.9 -48.1 23.3 15.6 8.1 110 110 A G H >< S+ 0 0 29 -4,-0.7 3,-0.7 1,-0.2 -2,-0.2 0.934 116.1 42.8 -59.1 -49.3 26.1 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.9 1,-0.2 -2,-0.2 0.919 103.9 62.7 -66.1 -43.6 26.4 12.8 4.5 112 112 A A H 3< S+ 0 0 13 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 95.8 66.5 -55.2 -20.1 22.7 12.1 4.3 113 113 A G T << S+ 0 0 56 -4,-0.9 2,-0.6 -3,-0.7 3,-0.3 0.499 75.3 83.8 -79.8 -4.9 22.7 14.9 1.6 114 114 A F <> + 0 0 39 -3,-2.9 4,-2.7 1,-0.2 3,-0.3 -0.257 57.5 154.1 -91.7 48.1 24.8 12.8 -0.9 115 115 A T H > + 0 0 83 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.847 65.3 46.4 -42.5 -54.1 21.5 11.2 -2.0 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.910 114.2 47.0 -62.7 -43.0 22.6 10.2 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.902 111.0 53.1 -65.7 -40.2 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.920 107.6 50.5 -60.6 -44.9 24.2 6.9 -1.6 119 119 A R H X S+ 0 0 105 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.931 111.1 49.2 -60.2 -43.1 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 26 -4,-2.1 5,-2.3 1,-0.2 4,-0.3 0.904 110.4 49.9 -64.4 -40.1 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.931 108.0 54.2 -63.2 -42.7 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.897 110.1 47.2 -57.0 -41.7 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 105 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.469 113.1-122.4 -80.2 -0.5 23.2 -0.5 -5.8 124 124 A K T < 5 + 0 0 96 -3,-1.9 2,-1.3 -4,-0.3 -3,-0.2 0.799 60.0 149.1 63.3 33.6 26.8 -1.5 -5.7 125 125 A R >< + 0 0 82 -5,-2.3 4,-2.7 1,-0.2 5,-0.2 -0.678 20.8 175.8 -97.0 76.8 27.7 0.7 -8.8 126 126 A W H > + 0 0 54 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.882 69.7 42.7 -53.5 -54.0 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 116.0 50.6 -65.1 -39.8 32.8 3.4 -10.4 128 128 A E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.915 110.8 48.0 -63.6 -44.3 29.6 5.4 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.6 2,-0.2 5,-0.2 0.912 108.2 56.3 -60.7 -44.5 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.936 108.4 46.7 -56.8 -46.2 33.1 7.3 -7.1 131 131 A V H X S+ 0 0 90 -4,-2.0 4,-0.7 1,-0.2 3,-0.2 0.930 114.1 47.4 -62.5 -44.5 32.6 9.8 -9.9 132 132 A N H >< S+ 0 0 36 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.906 107.9 55.7 -63.5 -41.6 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.6 6,-0.3 1,-0.2 -1,-0.2 0.858 102.8 57.1 -59.8 -33.5 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 25 -4,-1.5 2,-1.9 -5,-0.2 -1,-0.2 0.701 85.4 81.5 -72.8 -18.9 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.547 81.7 95.9 -84.1 70.2 31.5 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.999 85.6-115.4-157.9 157.5 31.3 17.9 -4.4 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.919 115.0 62.4 -60.0 -42.6 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.914 105.6 43.8 -47.8 -50.2 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 64 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.1 49.0 -66.2 -41.2 36.4 16.6 -2.8 140 140 A N H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.814 116.1 42.1 -70.7 -28.0 37.4 20.1 -3.9 141 141 A Q H < S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.862 132.4 18.3 -87.2 -38.2 38.3 21.2 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.559 73.9 162.1-132.4 68.7 40.1 18.1 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.830 69.2 52.6 -59.7 -38.5 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.954 115.2 40.4 -68.3 -43.4 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.946 115.6 52.0 -66.8 -46.4 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -8,-0.2 5,-0.3 0.919 107.5 53.2 -57.0 -42.2 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 89 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.913 108.3 50.0 -60.0 -39.6 40.5 10.4 -2.8 148 148 A R H X S+ 0 0 53 -4,-1.7 4,-1.6 2,-0.2 12,-0.2 0.929 114.4 43.9 -63.6 -44.7 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.933 113.9 49.4 -67.4 -45.8 37.8 7.5 1.0 150 150 A I H X S+ 0 0 12 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.904 109.5 52.1 -61.7 -40.1 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 33 -4,-2.7 4,-2.7 -5,-0.3 6,-0.4 0.869 107.7 53.6 -63.3 -35.1 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.919 110.6 45.1 -64.9 -43.9 38.0 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.2 49.6 -66.1 -40.5 34.3 2.8 -1.6 154 154 A R H < S+ 0 0 95 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.913 125.0 23.9 -65.9 -43.6 35.4 2.0 -5.2 155 155 A T H < S- 0 0 47 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.649 83.5-137.3 -99.6 -21.1 37.6 -1.0 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.5 2,-0.2 -5,-0.3 -62,-0.2 0.669 73.7 102.1 69.4 14.5 36.4 -2.4 -1.0 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.733 80.2-120.5-120.6 174.7 40.2 -2.8 -0.1 158 158 A W S >> S+ 0 0 34 -2,-0.2 3,-2.3 1,-0.2 4,-0.9 0.131 70.6 123.5-100.9 19.6 42.6 -0.7 2.1 159 159 A D G >4 + 0 0 102 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.839 66.6 57.8 -50.5 -37.3 44.9 0.0 -0.7 160 160 A A G 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.621 109.8 44.7 -69.2 -14.4 44.7 3.8 -0.3 161 161 A Y G X4 S+ 0 0 3 -3,-2.3 3,-1.0 -13,-0.1 2,-0.3 0.467 87.6 109.1-108.2 -4.0 45.8 3.6 3.3 162 162 A K T << S+ 0 0 116 -4,-0.9 -3,-0.0 -3,-0.8 0, 0.0 -0.586 83.5 20.0 -77.8 129.0 48.6 1.2 2.6 163 163 A N T 3 0 0 172 -2,-0.3 -1,-0.2 0, 0.0 -4,-0.0 0.768 360.0 360.0 83.2 30.7 51.9 2.9 2.9 164 164 A L < 0 0 138 -3,-1.0 -2,-0.1 0, 0.0 -3,-0.0 0.541 360.0 360.0-120.6 360.0 50.7 5.8 5.0