==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-08 3CDV . 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) . 8641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 75.0 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 . 15 9.1 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 64 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.2 43.3 -2.0 9.0 2 2 A N > - 0 0 70 1,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.871 360.0 -91.6-139.7 172.0 40.3 -0.8 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.838 122.2 52.8 -51.8 -41.5 38.2 2.4 11.4 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 113.0 43.0 -64.0 -43.7 40.3 3.7 14.2 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.885 113.0 54.2 -69.5 -38.6 43.5 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.954 113.9 39.6 -60.2 -53.0 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.4 0.830 109.4 60.2 -67.7 -30.8 40.7 7.9 10.9 8 8 A R H X S+ 0 0 87 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.914 108.4 46.7 -62.7 -37.7 43.9 8.3 12.9 9 9 A I H < S+ 0 0 51 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.921 115.8 44.3 -68.3 -43.6 45.7 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.788 125.7 29.9 -73.7 -29.4 43.1 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.5 19,-0.4 -5,-0.1 -2,-0.2 0.656 91.0-154.0-103.0 -22.9 42.8 13.3 11.2 12 12 A G < - 0 0 31 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.1 -0.158 27.4 -87.6 71.2-174.8 46.3 13.0 12.8 13 13 A L + 0 0 52 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.998 43.3 172.9-135.2 129.8 46.7 13.6 16.6 14 14 A R E -A 28 0A 120 14,-1.4 14,-2.3 -2,-0.4 4,-0.1 -0.991 19.0-161.5-139.2 127.4 47.3 17.0 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.6 12,-0.2 2,-0.4 0.434 75.0 62.5 -90.1 0.5 47.2 17.5 22.0 16 16 A K E S-C 57 0B 50 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.935 101.1 -86.1-123.8 148.4 46.7 21.3 21.9 17 17 A I E + 0 0 23 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.225 57.3 168.4 -53.2 135.3 43.8 23.2 20.5 18 18 A Y E -A 26 0A 41 8,-3.0 8,-3.2 -4,-0.1 2,-0.4 -0.871 36.1-102.9-142.1 173.6 44.2 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.856 33.2-139.7-104.7 139.6 42.1 24.9 13.8 20 20 A D > - 0 0 51 4,-2.3 3,-1.6 -2,-0.4 -1,-0.1 -0.062 43.6 -76.0 -82.7-169.2 40.8 22.4 11.3 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.747 134.8 47.5 -63.6 -19.4 40.7 22.7 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.461 123.0-101.5 -97.5 -2.5 37.7 25.0 7.9 23 23 A G S < S+ 0 0 35 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.596 75.1 142.5 93.3 12.7 39.2 27.2 10.6 24 24 A Y - 0 0 76 1,-0.1 -4,-2.3 9,-0.0 -1,-0.3 -0.723 59.1-104.5 -93.4 140.9 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-3.1 -2,-0.4 9,-1.4 -0.392 53.4 162.4 -63.8 124.2 38.7 24.9 16.9 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-3.0 6,-0.3 2,-0.3 -0.879 17.8-170.6-137.9 164.9 39.6 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 -12,-0.2 -0.981 51.8 5.2-156.0 163.2 41.7 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.4 -2,-0.3 2,-1.0 -0.369 124.3 -7.5 64.7-129.2 42.9 15.4 19.7 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.691 127.4 -52.2-104.0 80.3 42.0 13.3 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.681 83.7 160.8 64.9 21.0 39.7 15.5 14.8 31 31 A H E < -B 27 0A 31 -4,-2.0 -4,-1.6 1,-0.0 -1,-0.2 -0.615 33.6-142.0 -79.6 104.0 37.4 16.3 17.8 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.369 21.4-179.0 -63.2 128.9 35.6 19.5 16.8 33 33 A L E - 0 0 12 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.857 58.8 -21.7 -98.5 -45.4 35.1 21.8 19.8 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.978 33.7-142.9-163.7 152.9 33.2 24.7 18.5 35 35 A K S S+ 0 0 149 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.509 74.2 111.2 -95.6 -6.8 32.4 26.5 15.3 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.2 -0.394 73.5-132.0 -69.6 139.6 32.6 29.8 17.2 37 37 A P S S+ 0 0 126 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.535 76.8 103.7 -70.3 -5.0 35.5 32.2 16.5 38 38 A S > - 0 0 56 1,-0.2 4,-2.2 2,-0.0 3,-0.2 -0.710 58.1-158.5 -88.6 124.1 36.3 32.5 20.2 39 39 A L H > S+ 0 0 66 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.726 97.0 55.1 -67.1 -21.5 39.2 30.7 21.6 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 102.6 53.6 -82.7 -28.6 37.7 31.0 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.968 111.9 48.1 -64.2 -46.3 34.5 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.903 110.0 49.1 -57.8 -47.5 36.7 26.6 22.7 43 43 A K H X S+ 0 0 49 -4,-2.1 4,-2.0 2,-0.2 11,-0.3 0.848 112.2 51.6 -63.2 -31.8 38.6 26.3 25.9 44 44 A S H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.963 109.9 46.3 -67.0 -51.1 35.3 26.2 27.7 45 45 A E H X S+ 0 0 66 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.876 110.8 56.8 -56.2 -42.4 33.9 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 5,-0.3 0.943 107.3 44.2 -57.8 -52.9 37.2 21.6 26.1 47 47 A D H X>S+ 0 0 38 -4,-2.0 4,-3.2 1,-0.2 5,-0.9 0.903 112.8 53.9 -60.4 -40.2 37.1 21.5 29.9 48 48 A K H <5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.867 110.4 46.6 -60.4 -40.3 33.4 20.6 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.830 121.1 36.2 -72.7 -31.1 34.3 17.6 27.5 50 50 A I H <5S- 0 0 36 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.711 100.4-127.9 -96.2 -27.0 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 66 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.2 0.818 75.9 68.6 86.4 25.1 35.9 17.1 32.9 52 52 A R S - 0 0 11 -2,-1.0 3,-1.4 -11,-0.3 -1,-0.2 0.761 29.7-151.0 -88.8 -30.3 42.7 21.8 30.7 55 55 A N T 3 S- 0 0 116 1,-0.3 3,-0.1 -12,-0.2 -12,-0.1 0.750 77.0 -48.8 56.1 35.8 43.7 25.3 29.6 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.437 119.8 96.9 92.7 -0.6 43.8 24.1 26.0 57 57 A V B < -C 16 0B 76 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.961 44.5-178.2-130.7 143.1 45.9 21.0 26.5 58 58 A I - 0 0 6 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.876 25.1-111.5-133.0 166.5 45.1 17.3 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.478 33.2-111.2 -90.7 164.2 46.8 14.0 27.4 60 60 A K H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.834 119.8 52.8 -65.0 -36.1 47.0 11.2 24.8 61 61 A D H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 110.0 49.3 -66.2 -41.8 44.7 9.0 26.9 62 62 A E H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.927 110.0 50.3 -63.6 -44.4 42.2 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.902 111.0 49.9 -59.9 -40.3 42.5 12.3 23.2 64 64 A E H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.866 107.4 53.8 -67.0 -34.8 41.9 8.6 22.7 65 65 A K H X S+ 0 0 129 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.927 109.5 47.2 -64.2 -44.9 38.8 8.6 25.0 66 66 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.909 110.4 55.8 -62.4 -42.1 37.3 11.5 22.9 67 67 A F H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.911 107.1 46.6 -55.5 -48.7 38.1 9.4 19.9 68 68 A N H X S+ 0 0 91 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.931 113.0 49.8 -62.1 -43.2 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 94 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.868 111.6 50.0 -60.6 -39.5 33.3 8.5 22.0 70 70 A D H X S+ 0 0 34 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.861 110.1 47.2 -70.7 -37.2 33.3 10.1 18.6 71 71 A V H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.921 112.6 51.8 -69.5 -43.9 33.5 6.9 16.6 72 72 A D H X S+ 0 0 104 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.948 110.0 47.8 -57.2 -48.3 30.7 5.5 18.6 73 73 A A H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.865 109.2 53.1 -62.7 -36.2 28.6 8.5 18.0 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.924 111.3 47.9 -65.0 -39.0 29.2 8.5 14.3 75 75 A V H >X S+ 0 0 31 -4,-2.4 4,-2.3 2,-0.2 3,-0.6 0.960 113.0 45.8 -65.0 -49.5 28.2 4.8 14.2 76 76 A R H 3X S+ 0 0 51 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.906 108.8 57.3 -60.0 -40.2 25.0 5.4 16.2 77 77 A G H 3X S+ 0 0 3 -4,-2.5 4,-0.5 1,-0.2 -1,-0.3 0.805 107.8 47.6 -60.4 -33.9 24.2 8.4 14.1 78 78 A I H X< S+ 0 0 0 -4,-1.3 3,-0.7 -3,-0.6 7,-0.7 0.886 110.6 51.4 -74.6 -40.8 24.3 6.3 11.0 79 79 A L H 3< S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.817 110.6 49.2 -66.4 -29.3 22.1 3.6 12.6 80 80 A R H 3< S+ 0 0 181 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.601 93.1 92.7 -82.3 -16.7 19.5 6.2 13.6 81 81 A N > S+ 0 0 0 -3,-0.2 4,-2.7 -7,-0.2 3,-0.6 0.919 102.8 63.3 -84.4 -49.5 22.1 6.1 6.1 85 85 A K H 3X S+ 0 0 78 -4,-2.9 4,-2.8 -7,-0.7 5,-0.3 0.879 100.5 51.6 -45.6 -51.3 21.2 2.9 7.8 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.899 113.3 46.2 -59.9 -36.0 20.0 1.0 4.8 87 87 A V H X> S+ 0 0 0 -3,-0.6 3,-0.9 -4,-0.5 4,-0.8 0.977 112.4 48.9 -69.0 -48.6 23.2 1.9 2.9 88 88 A Y H >< S+ 0 0 28 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.864 109.6 52.8 -57.0 -40.0 25.5 1.0 5.7 89 89 A D H 3< S+ 0 0 93 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.788 106.1 55.0 -68.6 -25.3 23.7 -2.3 6.2 90 90 A S H << S+ 0 0 42 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.627 94.0 93.4 -81.3 -13.6 24.2 -3.1 2.6 91 91 A L S << S- 0 0 12 -3,-0.8 31,-0.0 -4,-0.8 30,-0.0 -0.533 74.3-118.9 -87.2 150.5 28.0 -2.6 2.7 92 92 A D > - 0 0 54 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.254 44.8 -94.2 -72.1 167.1 30.9 -5.0 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.765 122.0 48.5 -58.9 -30.6 33.1 -4.4 6.2 94 94 A V H >> S+ 0 0 28 62,-0.2 3,-1.0 2,-0.2 4,-1.0 0.951 112.9 47.2 -73.3 -50.9 35.8 -2.3 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.796 101.8 64.3 -62.5 -27.8 33.3 -0.0 2.7 96 96 A M H 3X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.864 99.0 57.3 -62.3 -32.4 31.3 0.5 6.0 97 97 A C H S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 129.1 52.5 -56.4 -49.6 25.2 12.7 9.6 109 109 A T H > S+ 0 0 122 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.912 109.6 49.2 -57.5 -46.2 23.2 15.6 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-0.6 1,-0.2 -1,-0.2 0.890 113.4 44.5 -62.7 -45.9 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 -1,-0.2 0.915 105.1 61.4 -69.5 -39.3 26.4 12.8 4.4 112 112 A A H 3< S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 93.7 68.1 -58.1 -19.9 22.7 12.2 4.1 113 113 A G T << S+ 0 0 57 -4,-0.8 2,-1.0 -3,-0.6 -1,-0.3 0.590 75.9 85.4 -75.1 -10.8 22.7 15.0 1.5 114 114 A F <> + 0 0 34 -3,-2.5 4,-2.9 1,-0.2 3,-0.4 -0.219 56.5 155.9 -85.7 46.3 24.7 12.8 -0.9 115 115 A T H > + 0 0 77 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.822 66.3 42.3 -41.1 -54.0 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 92 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.872 115.2 48.9 -69.8 -33.9 22.5 10.1 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.912 111.3 53.0 -69.1 -39.6 25.9 8.8 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.911 108.0 48.4 -60.4 -45.7 24.1 6.9 -1.6 119 119 A R H X S+ 0 0 102 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.913 111.4 51.7 -63.4 -40.1 21.7 5.2 -3.9 120 120 A M H <>S+ 0 0 37 -4,-1.9 5,-2.3 1,-0.2 4,-0.3 0.874 108.1 49.9 -65.4 -37.8 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.931 108.4 54.4 -66.2 -40.0 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 79 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.892 109.6 46.5 -58.1 -40.5 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 102 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.469 113.6-122.5 -79.9 -3.2 23.1 -0.7 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.7 2,-1.2 -4,-0.3 -3,-0.2 0.826 59.8 149.4 62.8 37.8 26.8 -1.5 -5.7 125 125 A R >< + 0 0 109 -5,-2.3 4,-2.5 1,-0.2 5,-0.2 -0.725 20.9 175.9 -97.4 78.0 27.7 0.6 -8.8 126 126 A W H > S+ 0 0 49 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.911 70.0 44.9 -54.8 -54.3 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.922 114.9 49.8 -60.8 -40.7 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.900 109.8 50.0 -65.5 -40.7 29.5 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.8 1,-0.2 -1,-0.2 0.899 107.6 55.5 -63.7 -39.5 29.4 6.2 -7.1 130 130 A A H X S+ 0 0 3 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.924 108.9 46.2 -59.9 -44.6 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 73 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.926 115.5 46.4 -65.4 -42.8 32.5 9.8 -10.0 132 132 A N H >< S+ 0 0 44 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.918 108.3 55.1 -66.7 -43.0 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.8 6,-0.4 1,-0.2 -1,-0.2 0.839 103.2 59.0 -59.2 -30.0 31.1 11.4 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-1.8 -5,-0.2 -1,-0.2 0.700 84.7 79.9 -69.8 -24.2 33.8 13.5 -6.6 135 135 A K S << S+ 0 0 161 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 -0.514 81.2 96.9 -85.8 67.4 31.4 16.2 -7.8 136 136 A S S > S- 0 0 20 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.989 85.0-116.0-151.6 160.7 31.3 17.9 -4.4 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.927 114.3 62.8 -63.4 -40.9 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 8,-0.2 0.921 105.7 43.2 -47.9 -53.1 34.2 17.9 -0.1 139 139 A Y H 4 S+ 0 0 64 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 116.2 49.2 -62.2 -44.4 36.3 16.5 -2.8 140 140 A N H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.835 117.2 39.3 -66.9 -31.1 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 110 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.875 132.4 21.3 -88.4 -38.8 38.2 21.2 -0.5 142 142 A T S X S+ 0 0 22 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 -0.535 73.5 162.6-128.9 69.5 39.9 18.2 0.9 143 143 A P H > + 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.840 68.8 52.2 -56.9 -41.4 40.9 16.3 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.921 115.4 41.1 -66.7 -41.6 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 114.4 52.5 -71.5 -42.7 41.3 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -8,-0.2 5,-0.2 0.912 108.2 51.9 -58.5 -41.6 38.3 12.5 -0.4 147 147 A K H X S+ 0 0 95 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.900 108.7 50.4 -61.9 -40.5 40.4 10.4 -2.9 148 148 A R H X S+ 0 0 56 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.943 114.5 43.7 -63.0 -47.2 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.937 115.0 47.9 -65.0 -45.5 37.8 7.5 0.9 150 150 A I H X S+ 0 0 12 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.879 109.7 53.5 -62.7 -38.9 36.4 7.3 -2.6 151 151 A T H X S+ 0 0 54 -4,-2.6 4,-2.1 -5,-0.2 6,-0.3 0.861 107.1 53.0 -64.6 -33.9 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 5,-0.3 0.943 110.3 45.6 -66.9 -45.3 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 113.9 51.5 -62.1 -39.3 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 105 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.858 124.9 21.7 -67.9 -38.8 35.4 1.9 -5.3 155 155 A T H < S- 0 0 60 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.691 82.4-136.7-106.6 -22.2 37.6 -1.1 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.8 2,-0.2 1,-0.3 -62,-0.2 0.725 73.7 103.7 70.4 18.6 36.5 -2.5 -1.1 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.3 -1,-0.3 -0.786 80.1-121.4-124.8 171.1 40.2 -2.8 -0.2 158 158 A W S >> S+ 0 0 40 -2,-0.2 3,-2.8 1,-0.2 4,-0.7 0.236 71.0 122.9 -96.5 13.1 42.6 -0.7 2.0 159 159 A D G >4 + 0 0 113 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.819 68.0 56.3 -41.8 -43.9 45.0 0.0 -0.8 160 160 A A G 34 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.571 107.8 48.2 -69.8 -11.3 44.6 3.8 -0.4 161 161 A Y G X4 S+ 0 0 4 -3,-2.8 3,-1.0 -13,-0.1 2,-0.3 0.421 88.5 109.1-108.0 0.5 45.7 3.7 3.2 162 162 A K T << S+ 0 0 113 -3,-1.2 -3,-0.0 -4,-0.7 0, 0.0 -0.583 78.9 21.2 -80.8 136.7 48.7 1.5 2.4 163 163 A N T 3 0 0 171 -2,-0.3 -1,-0.2 1,-0.0 -4,-0.0 0.635 360.0 360.0 80.9 21.7 52.1 3.1 2.7 164 164 A L < 0 0 134 -3,-1.0 -2,-0.1 0, 0.0 -3,-0.1 0.661 360.0 360.0-116.9 360.0 50.9 5.9 5.0