==== 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 11-JUN-09 3HT8 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL,B.K.SHO . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 1 0 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 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.4 7.2 -16.0 -9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.914 360.0 -81.7-157.5 176.7 9.7 -18.3 -10.9 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.829 125.8 51.4 -59.0 -34.1 13.4 -18.6 -11.4 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 113.4 42.6 -69.6 -46.6 13.4 -16.1 -14.2 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.864 115.1 52.8 -64.5 -35.6 11.5 -13.4 -12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.959 112.9 41.1 -66.9 -53.0 13.6 -14.1 -9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.815 109.5 60.3 -67.0 -30.8 16.9 -13.7 -10.9 8 8 A R H X S+ 0 0 107 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.920 108.7 44.8 -62.8 -39.7 15.6 -10.7 -12.9 9 9 A I H < S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.944 118.0 42.9 -63.6 -46.4 15.0 -9.0 -9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.812 124.9 32.1 -75.8 -30.1 18.3 -10.0 -8.1 11 11 A E H < S- 0 0 42 -4,-2.7 19,-0.4 1,-0.2 -1,-0.2 0.666 93.2-151.2-101.7 -21.6 20.5 -9.3 -11.1 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.189 22.3 -89.7 73.7-174.1 18.7 -6.3 -12.8 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.939 44.8 167.2-139.6 117.7 18.7 -5.6 -16.5 14 14 A R E -A 28 0A 148 14,-2.1 14,-2.6 -2,-0.4 4,-0.1 -1.000 21.2-161.9-133.5 133.5 21.4 -3.4 -18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.543 73.6 62.9 -95.5 -9.5 22.0 -3.1 -21.9 16 16 A K E S-C 57 0B 148 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.867 101.5 -86.0-112.1 150.2 25.5 -1.6 -21.8 17 17 A I E + 0 0 32 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.286 58.8 167.4 -53.5 130.9 28.6 -3.3 -20.4 18 18 A Y E -A 26 0A 28 8,-2.6 8,-3.0 -4,-0.1 2,-0.5 -0.892 38.0-101.5-137.7 171.1 28.8 -2.5 -16.6 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.822 35.4-137.5 -99.4 131.0 30.8 -3.8 -13.7 20 20 A D > - 0 0 49 4,-2.7 3,-1.7 -2,-0.5 -1,-0.1 0.016 42.4 -77.3 -73.0-172.6 29.1 -6.3 -11.3 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.704 134.7 49.5 -63.7 -21.0 29.3 -6.2 -7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.376 123.6-102.5 -98.5 2.1 32.8 -7.8 -7.7 23 23 A G S < S+ 0 0 37 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.581 76.2 139.7 89.4 12.3 34.0 -5.3 -10.3 24 24 A Y - 0 0 75 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.748 60.6-102.9 -97.6 136.9 33.8 -7.7 -13.2 25 25 A Y E +A 19 0A 35 9,-0.5 8,-2.7 11,-0.4 9,-1.3 -0.290 54.7 158.3 -59.5 131.3 32.5 -6.7 -16.7 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.6 6,-0.3 2,-0.3 -0.890 20.0-168.3-149.7 160.9 28.9 -7.9 -17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.979 51.8 7.5-151.9 165.4 25.9 -7.2 -19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-2.1 -2,-0.3 2,-0.8 -0.465 123.8 -9.8 74.2-131.8 22.2 -8.0 -19.6 29 29 A I T 4 S- 0 0 7 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.761 128.9 -50.9-106.2 74.9 20.7 -9.9 -16.6 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.792 82.1 163.2 62.9 34.9 24.0 -10.8 -14.8 31 31 A H E < -B 27 0A 29 -4,-2.2 -4,-1.7 2,-0.0 -1,-0.2 -0.735 32.1-142.8 -83.2 102.6 25.8 -12.3 -17.8 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.462 20.4-177.5 -64.2 129.2 29.4 -12.3 -16.7 33 33 A L - 0 0 13 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.881 59.6 -31.8 -94.8 -48.8 31.7 -11.4 -19.7 34 34 A T - 0 0 31 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.973 33.9-133.3-165.6 154.9 35.1 -11.7 -18.1 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.508 76.1 113.3 -88.4 -5.2 37.1 -11.3 -14.9 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.410 69.2-139.4 -64.4 136.7 39.8 -9.5 -16.9 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.498 77.1 104.7 -71.8 -3.2 40.2 -5.7 -16.1 38 38 A D >> - 0 0 76 1,-0.2 4,-1.6 2,-0.0 3,-0.6 -0.718 57.6-163.1 -86.5 109.9 40.6 -5.2 -19.9 39 39 A L H 3> S+ 0 0 70 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.819 91.1 59.1 -60.8 -32.9 37.4 -3.7 -21.4 40 40 A N H 3> S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 103.1 51.2 -63.0 -37.9 38.5 -4.7 -24.8 41 41 A A H <> S+ 0 0 31 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.893 110.1 50.9 -65.1 -38.0 38.6 -8.4 -23.7 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.906 108.7 49.8 -65.6 -42.5 35.1 -7.9 -22.4 43 43 A K H X S+ 0 0 57 -4,-2.4 4,-2.5 2,-0.2 11,-0.3 0.884 110.2 51.6 -64.7 -37.0 33.8 -6.4 -25.7 44 44 A S H X S+ 0 0 72 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.926 109.3 49.5 -65.4 -45.4 35.4 -9.4 -27.5 45 45 A E H X S+ 0 0 70 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.888 110.8 51.6 -58.6 -40.2 33.6 -11.8 -25.2 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.944 109.7 47.5 -62.5 -49.7 30.3 -9.9 -25.8 47 47 A D H X>S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 5,-0.7 0.875 112.6 50.7 -58.4 -38.0 30.7 -10.1 -29.6 48 48 A K H <5S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.9 47.1 -66.4 -43.4 31.5 -13.8 -29.3 49 49 A A H <5S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.834 121.3 34.9 -69.6 -34.5 28.4 -14.4 -27.2 50 50 A I H <5S- 0 0 38 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.749 101.7-127.9 -92.4 -28.2 25.9 -12.4 -29.4 51 51 A G T <5S+ 0 0 66 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.667 76.8 70.8 87.7 20.3 27.5 -13.3 -32.8 52 52 A R S - 0 0 9 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.660 30.8-145.3 -96.6 -19.5 28.0 -5.0 -30.5 55 55 A N T 3 S- 0 0 119 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.919 75.4 -53.0 45.1 47.3 30.4 -2.3 -29.5 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.545 118.8 98.6 74.9 9.8 29.4 -2.9 -25.8 57 57 A V B < +C 16 0B 66 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.993 42.6 176.1-132.0 136.9 25.6 -2.6 -26.3 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.830 27.6-111.1-128.5 170.3 22.9 -5.2 -26.7 59 59 A T > - 0 0 67 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.539 32.5-106.7 -96.0 169.2 19.1 -5.2 -27.0 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 121.2 53.0 -61.8 -43.7 16.6 -6.5 -24.4 61 61 A D H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 110.2 48.2 -58.0 -44.2 15.8 -9.6 -26.6 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 110.5 51.3 -64.9 -40.6 19.5 -10.3 -26.7 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -34,-0.4 0.922 111.0 47.9 -58.6 -43.6 19.9 -9.9 -22.9 64 64 A E H X S+ 0 0 84 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.831 108.1 55.7 -70.9 -30.0 17.0 -12.3 -22.4 65 65 A K H X S+ 0 0 143 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.950 110.3 43.9 -67.1 -47.5 18.5 -14.8 -24.8 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.897 112.1 55.8 -59.4 -40.7 21.8 -14.9 -22.9 67 67 A F H X S+ 0 0 10 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.934 107.3 47.5 -58.9 -48.5 19.7 -15.1 -19.6 68 68 A N H X S+ 0 0 94 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.921 113.9 47.7 -61.0 -44.2 17.8 -18.2 -20.9 69 69 A Q H X S+ 0 0 100 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.921 113.7 47.9 -58.5 -44.2 21.1 -19.8 -21.9 70 70 A D H X S+ 0 0 39 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.899 112.2 47.1 -69.2 -42.9 22.7 -18.9 -18.5 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.946 114.3 48.5 -62.8 -49.3 19.8 -20.2 -16.3 72 72 A D H X S+ 0 0 86 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.924 111.0 48.9 -55.9 -48.9 19.6 -23.5 -18.3 73 73 A A H X S+ 0 0 62 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.855 108.2 55.7 -64.4 -33.6 23.4 -24.1 -18.1 74 74 A A H X S+ 0 0 14 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.932 110.5 44.4 -61.1 -48.0 23.3 -23.4 -14.4 75 75 A V H X S+ 0 0 29 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.941 113.0 50.4 -62.0 -48.0 20.7 -26.1 -13.9 76 76 A R H X S+ 0 0 128 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.859 109.1 52.9 -62.3 -34.8 22.4 -28.6 -16.2 77 77 A G H X S+ 0 0 7 -4,-2.2 4,-0.8 -5,-0.2 3,-0.5 0.916 107.1 51.5 -62.8 -44.0 25.7 -28.0 -14.2 78 78 A I H >< S+ 0 0 4 -4,-2.0 3,-1.4 1,-0.2 7,-0.5 0.952 108.4 52.1 -56.0 -49.7 23.9 -28.8 -10.9 79 79 A L H 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.734 110.5 48.2 -63.2 -24.4 22.6 -32.0 -12.4 80 80 A R H 3< S+ 0 0 176 -4,-1.1 2,-0.7 -3,-0.5 -1,-0.3 0.537 92.0 94.4 -88.2 -11.7 26.2 -33.0 -13.5 81 81 A N S+ 0 0 14 -3,-0.2 4,-2.9 -6,-0.2 3,-0.4 0.860 101.3 68.7 -90.0 -40.5 25.1 -30.8 -5.8 85 85 A K H X S+ 0 0 86 -4,-3.0 4,-3.3 -7,-0.5 5,-0.2 0.890 98.1 49.8 -52.2 -51.8 22.6 -33.1 -7.6 86 86 A P H > S+ 0 0 60 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.885 115.6 44.4 -58.1 -37.2 21.5 -35.2 -4.5 87 87 A V H >> S+ 0 0 10 -4,-0.4 4,-0.8 -3,-0.4 3,-0.7 0.957 114.8 48.6 -68.2 -49.0 20.8 -32.0 -2.5 88 88 A Y H >< S+ 0 0 26 -4,-2.9 3,-1.5 1,-0.3 -3,-0.2 0.944 111.5 48.9 -56.0 -50.9 19.1 -30.3 -5.4 89 89 A D H 3< S+ 0 0 85 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.715 104.9 60.7 -67.8 -17.0 16.9 -33.4 -6.1 90 90 A S H << S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.667 93.9 86.4 -76.7 -19.9 15.9 -33.6 -2.4 91 91 A L S << S- 0 0 9 -3,-1.5 2,-0.1 -4,-0.8 31,-0.0 -0.479 79.9-114.4 -87.5 153.9 14.4 -30.1 -2.5 92 92 A D > - 0 0 53 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.300 44.1 -96.9 -69.7 167.0 10.9 -28.8 -3.4 93 93 A A H > S+ 0 0 53 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.826 121.5 52.7 -65.0 -33.2 10.6 -26.6 -6.5 94 94 A V H >> S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.960 112.4 44.3 -67.8 -49.6 10.7 -23.3 -4.6 95 95 A R H 3> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.865 105.6 62.3 -61.7 -37.1 13.9 -24.2 -2.8 96 96 A R H 3X S+ 0 0 86 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.866 100.6 55.8 -54.1 -34.7 15.4 -25.5 -6.0 97 97 A C H S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.853 135.7 56.1 -61.8 -34.8 29.8 -24.2 -8.6 109 109 A T H 4 S+ 0 0 132 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.879 107.4 50.8 -63.5 -37.1 33.3 -23.4 -7.3 110 110 A G H >< S+ 0 0 29 -4,-0.8 3,-0.8 1,-0.2 -2,-0.2 0.865 108.6 50.0 -63.8 -38.1 31.6 -20.8 -5.1 111 111 A V H >< S+ 0 0 5 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.567 90.8 80.7 -82.6 -8.0 29.1 -23.3 -3.8 112 112 A A G >< S+ 0 0 58 -4,-0.8 3,-0.8 -3,-0.4 -1,-0.2 0.799 86.0 59.4 -65.6 -30.7 31.9 -25.8 -3.0 113 113 A G G < S+ 0 0 72 -3,-0.8 3,-0.3 -4,-0.4 -1,-0.3 0.543 92.0 72.9 -72.3 -5.4 32.5 -23.8 0.2 114 114 A F G <> + 0 0 20 -3,-1.4 4,-3.0 1,-0.2 3,-0.4 0.160 53.5 125.0-101.7 22.4 28.9 -24.6 1.3 115 115 A T H <> S+ 0 0 79 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.847 76.1 47.7 -48.2 -46.0 29.2 -28.3 2.2 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.894 113.0 48.5 -68.4 -38.2 27.8 -27.9 5.7 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.909 109.1 54.9 -63.3 -43.7 24.8 -25.9 4.4 118 118 A L H X S+ 0 0 26 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.930 107.4 49.2 -54.5 -49.5 24.3 -28.5 1.7 119 119 A R H X S+ 0 0 123 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.927 111.8 47.8 -58.7 -46.2 24.1 -31.2 4.4 120 120 A M H <>S+ 0 0 37 -4,-2.0 5,-2.6 2,-0.2 4,-0.3 0.884 111.6 50.8 -63.9 -36.3 21.6 -29.3 6.5 121 121 A L H ><5S+ 0 0 6 -4,-2.5 3,-1.3 2,-0.2 -2,-0.2 0.925 109.1 50.6 -66.6 -43.0 19.4 -28.5 3.5 122 122 A Q H 3<5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.1 49.6 -61.4 -35.7 19.4 -32.2 2.5 123 123 A Q T 3<5S- 0 0 90 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.498 111.8-125.5 -77.3 -7.6 18.4 -33.0 6.1 124 124 A K T < 5 + 0 0 97 -3,-1.3 2,-1.3 -4,-0.3 -3,-0.2 0.824 59.5 149.0 60.3 35.3 15.6 -30.4 5.8 125 125 A R >< + 0 0 123 -5,-2.6 4,-2.9 1,-0.2 -1,-0.2 -0.697 21.8 175.1 -91.6 76.8 17.0 -28.6 8.9 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.860 67.6 43.1 -67.4 -41.3 15.8 -25.4 7.5 127 127 A D H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 116.9 49.0 -70.8 -40.1 16.5 -22.9 10.3 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 111.6 49.5 -61.7 -45.4 19.9 -24.5 11.0 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -9,-0.2 -2,-0.2 0.928 109.7 51.6 -57.0 -48.3 20.7 -24.3 7.2 130 130 A A H X S+ 0 0 11 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.914 109.7 49.4 -58.9 -43.8 19.7 -20.6 7.1 131 131 A V H X S+ 0 0 87 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.952 113.5 46.3 -58.6 -46.8 21.9 -19.8 10.0 132 132 A N H >< S+ 0 0 37 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.892 106.9 57.7 -67.0 -35.3 24.9 -21.6 8.4 133 133 A L H 3< S+ 0 0 1 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.826 102.0 55.5 -64.0 -32.6 24.3 -20.0 5.0 134 134 A A H 3< S+ 0 0 33 -4,-1.3 2,-1.8 -3,-0.5 -1,-0.3 0.620 86.1 82.9 -77.8 -15.8 24.7 -16.5 6.4 135 135 A K S << S+ 0 0 161 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.531 81.6 99.0 -83.9 68.3 28.1 -17.3 7.9 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.997 85.6-118.5-156.4 150.3 29.7 -16.6 4.6 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.922 116.1 61.4 -54.2 -43.7 31.6 -14.1 2.4 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.921 106.5 42.4 -47.9 -55.6 28.6 -14.3 0.1 139 139 A Y H 4 S+ 0 0 53 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.938 114.9 49.9 -60.8 -47.6 26.2 -13.0 2.8 140 140 A N H < S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.5 42.0 -63.4 -33.0 28.6 -10.3 4.0 141 141 A Q H < S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 132.6 20.6 -86.5 -35.2 29.3 -8.9 0.5 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.561 75.0 157.8-128.8 69.6 25.7 -9.1 -0.8 143 143 A P H > + 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.839 69.5 52.3 -67.2 -36.2 23.6 -9.2 2.3 144 144 A D H > S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.948 116.5 39.3 -68.5 -42.6 20.3 -7.9 0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.921 115.5 52.5 -68.3 -44.1 20.2 -10.5 -1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.919 105.2 55.7 -63.1 -38.3 21.6 -13.2 0.3 147 147 A K H X S+ 0 0 103 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.896 109.4 47.5 -56.4 -39.8 18.8 -12.5 2.9 148 148 A R H X S+ 0 0 68 -4,-1.3 4,-1.8 -3,-0.3 12,-0.2 0.942 114.1 45.2 -68.8 -45.8 16.2 -13.0 0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 114.0 49.7 -64.5 -45.1 17.8 -16.3 -1.1 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.895 107.9 52.9 -61.1 -43.0 18.2 -17.6 2.4 151 151 A T H X S+ 0 0 41 -4,-2.3 4,-2.5 -5,-0.3 6,-0.4 0.884 108.7 51.9 -58.3 -37.9 14.6 -16.8 3.3 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.940 111.7 45.5 -64.4 -47.1 13.6 -18.8 0.2 153 153 A F H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 115.7 48.0 -58.6 -39.4 15.8 -21.7 1.4 154 154 A R H < S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.875 125.9 22.5 -73.8 -36.4 14.3 -21.4 5.0 155 155 A T H < S- 0 0 39 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.667 83.8-133.9-107.6 -24.2 10.6 -21.2 4.1 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.748 74.2 107.8 66.8 20.6 10.1 -22.8 0.7 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.784 79.0-123.4-119.2 171.4 7.9 -19.7 -0.1 158 158 A W >> + 0 0 55 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 0.144 69.7 122.9 -96.6 18.8 8.3 -16.6 -2.3 159 159 A D G >4 + 0 0 128 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.804 68.7 56.8 -53.9 -35.4 7.8 -14.2 0.7 160 160 A A G 34 S+ 0 0 27 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.612 108.2 48.1 -74.1 -9.8 11.1 -12.5 0.1 161 161 A Y G <4 0 0 2 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.369 360.0 360.0-114.4 1.6 10.3 -11.6 -3.5 162 162 A K << 0 0 206 -3,-0.8 -3,-0.1 -4,-0.5 -2,-0.1 0.521 360.0 360.0 46.7 360.0 6.7 -10.1 -3.1