==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DMV . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 6.1 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 . 1 0.6 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 2 1 0 0 1 1 0 0 0 0 0 0 2 0 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 59 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.0 43.2 -1.5 8.8 2 2 A N > - 0 0 67 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.931 360.0 -79.5-159.6 177.8 39.9 -0.5 10.5 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.844 126.7 51.5 -57.9 -37.1 37.7 2.6 11.0 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 114.3 40.7 -65.5 -50.3 39.9 3.7 14.0 5 5 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.887 115.2 54.6 -63.7 -37.9 43.2 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.948 111.7 41.0 -60.4 -53.9 41.6 4.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.840 110.0 59.8 -68.4 -31.6 40.3 8.1 10.8 8 8 A R H X S+ 0 0 106 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.905 108.8 45.3 -60.6 -40.7 43.6 8.3 12.7 9 9 A I H < S+ 0 0 50 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.946 117.6 42.8 -64.0 -48.4 45.3 8.6 9.3 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.802 126.0 30.6 -72.1 -30.9 42.8 11.1 7.9 11 11 A E H < S- 0 0 43 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.676 91.7-153.1-104.1 -21.7 42.5 13.3 11.0 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.197 24.6 -87.8 72.5-172.0 46.0 13.1 12.6 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 44.5 167.4-141.9 120.3 46.5 13.5 16.4 14 14 A R E -A 28 0A 148 14,-1.5 14,-2.1 -2,-0.4 4,-0.1 -1.000 20.9-160.7-134.1 131.5 47.2 16.8 18.0 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.8 12,-0.2 2,-0.3 0.469 74.1 64.9 -95.0 -3.1 47.1 17.3 21.8 16 16 A K E S-C 57 0B 127 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.908 101.8 -85.2-117.3 146.0 46.6 21.1 21.8 17 17 A I E + 0 0 9 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.230 58.9 168.4 -49.3 130.3 43.6 23.0 20.4 18 18 A Y E -A 26 0A 24 8,-2.8 8,-3.2 -4,-0.1 2,-0.5 -0.857 36.8-101.5-137.6 170.8 44.1 23.6 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.877 33.9-137.9-101.4 132.8 41.9 24.8 13.8 20 20 A D > - 0 0 43 4,-2.9 3,-1.9 -2,-0.5 -1,-0.1 0.011 42.2 -78.3 -75.4-173.3 40.5 22.2 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.707 134.7 49.0 -63.5 -21.1 40.3 22.5 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.377 123.7-103.9 -95.3 -0.2 37.3 24.8 7.9 23 23 A G S < S+ 0 0 37 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.594 74.7 141.2 88.2 14.6 39.0 27.0 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.727 60.7-101.1 -96.6 138.2 37.1 25.6 13.5 25 25 A Y E +A 19 0A 37 11,-0.4 8,-2.6 9,-0.4 9,-1.3 -0.329 54.9 162.5 -59.9 131.2 38.6 24.9 16.9 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-2.8 6,-0.3 2,-0.3 -0.897 19.6-162.8-147.2 159.8 39.3 21.2 17.2 27 27 A I E > - B 0 31A 0 4,-1.8 4,-2.5 -2,-0.3 -12,-0.2 -0.979 51.6 -2.1-147.6 162.4 41.4 18.8 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.1 -14,-1.5 -2,-0.3 2,-1.1 -0.353 124.4 -3.4 67.7-129.1 42.8 15.3 19.4 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.645 130.0 -53.6-101.5 72.5 41.8 13.1 16.5 30 30 A G T 4 S+ 0 0 14 -2,-1.1 2,-1.1 -19,-0.4 -2,-0.2 0.824 81.3 164.5 64.3 32.6 39.5 15.5 14.7 31 31 A H E < -B 27 0A 31 -4,-2.5 -4,-1.8 -20,-0.1 -1,-0.2 -0.712 31.2-142.9 -82.3 101.4 37.3 16.3 17.7 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.434 19.9-176.9 -64.5 128.0 35.4 19.4 16.7 33 33 A L - 0 0 13 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.864 57.8 -31.9 -92.0 -45.3 35.0 21.7 19.7 34 34 A T - 0 0 31 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.964 34.8-131.3-170.6 155.4 32.9 24.6 18.3 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.452 75.7 114.1 -93.1 -4.0 32.2 26.6 15.2 36 36 A S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.394 69.8-137.5 -65.1 139.8 32.6 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.520 76.4 105.4 -74.4 -3.9 35.6 32.1 16.6 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 3,-0.2 -0.693 56.9-162.4 -82.5 114.9 36.1 32.4 20.4 39 39 A L H > S+ 0 0 66 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.857 95.1 56.9 -59.2 -36.9 39.1 30.4 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 105.0 50.2 -60.3 -39.9 37.6 30.8 25.1 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 110.8 50.2 -64.2 -41.3 34.3 29.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.902 109.6 50.3 -60.0 -45.2 36.5 26.3 22.4 43 43 A K H X S+ 0 0 78 -4,-2.6 4,-2.7 1,-0.2 11,-0.2 0.889 108.3 53.2 -62.8 -40.5 38.3 25.9 25.8 44 44 A S H X S+ 0 0 71 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.925 109.4 48.2 -59.1 -46.8 35.0 25.8 27.6 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 110.8 52.5 -61.4 -41.4 33.8 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.945 108.7 48.2 -59.6 -50.5 37.1 21.1 25.8 47 47 A D H X>S+ 0 0 39 -4,-2.7 4,-2.6 1,-0.2 5,-1.1 0.896 113.3 48.5 -57.9 -42.2 36.8 21.2 29.6 48 48 A K H <5S+ 0 0 147 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.869 111.8 50.0 -65.3 -38.6 33.2 20.0 29.4 49 49 A A H <5S+ 0 0 38 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.888 120.9 33.9 -64.9 -39.6 34.2 17.2 27.0 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.725 102.4-125.6 -92.8 -29.1 37.1 16.0 29.2 51 51 A G T <5S+ 0 0 68 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.726 77.4 76.8 85.8 25.5 35.6 16.7 32.7 52 52 A R S - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.448 32.2-110.0 -86.6 166.4 46.8 13.7 27.0 60 60 A K H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 120.8 53.8 -61.1 -42.6 46.9 11.0 24.3 61 61 A D H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 110.1 47.5 -58.0 -43.0 44.7 8.8 26.5 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 110.1 51.9 -66.3 -40.5 42.1 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.919 111.6 47.4 -60.1 -42.9 42.4 12.2 22.9 64 64 A E H X S+ 0 0 90 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.856 108.1 55.5 -70.1 -33.0 41.7 8.5 22.3 65 65 A K H X S+ 0 0 138 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.956 110.6 44.3 -62.2 -49.3 38.8 8.5 24.7 66 66 A L H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.907 111.7 55.3 -58.5 -42.6 37.1 11.3 22.8 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.927 106.8 48.3 -59.3 -47.2 37.9 9.6 19.6 68 68 A N H X S+ 0 0 82 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 112.5 49.8 -60.2 -41.6 36.2 6.4 20.6 69 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.907 111.0 49.5 -61.2 -43.3 33.1 8.4 21.7 70 70 A D H X S+ 0 0 33 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.870 109.2 50.5 -67.1 -38.5 33.1 10.2 18.4 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.939 112.5 48.9 -63.0 -46.1 33.3 7.0 16.4 72 72 A D H X S+ 0 0 106 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 109.3 51.8 -54.1 -48.8 30.4 5.7 18.5 73 73 A A H X S+ 0 0 53 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.851 108.4 52.1 -59.4 -37.0 28.4 8.9 17.9 74 74 A A H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.935 111.3 45.0 -66.3 -47.5 28.9 8.5 14.1 75 75 A V H X S+ 0 0 37 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.935 113.9 51.6 -60.1 -46.2 27.7 4.9 14.0 76 76 A R H X S+ 0 0 169 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.901 108.6 50.9 -54.9 -46.9 24.7 6.0 16.2 77 77 A G H < S+ 0 0 6 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.868 111.4 48.0 -60.5 -41.4 23.9 8.9 13.9 78 78 A I H >< S+ 0 0 3 -4,-2.1 3,-1.3 1,-0.2 7,-0.5 0.950 111.7 48.7 -63.7 -50.5 23.9 6.6 10.9 79 79 A L H 3< S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.776 113.1 47.8 -66.9 -26.1 21.7 4.0 12.6 80 80 A R T 3< S+ 0 0 187 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.490 94.0 91.2 -90.1 -5.4 19.1 6.6 13.7 81 81 A N <> - 0 0 36 -3,-1.3 4,-2.6 -4,-0.5 -4,-0.0 -0.827 66.8-149.9 -98.6 125.6 18.9 8.3 10.3 82 82 A A T 4 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.747 97.8 44.1 -63.6 -28.1 16.2 7.0 8.0 83 83 A K T > S+ 0 0 130 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.856 119.4 39.8 -84.0 -37.8 18.3 7.8 4.9 84 84 A L H > S+ 0 0 8 -7,-0.2 4,-2.8 -6,-0.2 5,-0.2 0.867 102.4 67.1 -82.5 -38.7 21.6 6.5 6.1 85 85 A K H X S+ 0 0 86 -4,-2.6 4,-3.2 -7,-0.5 5,-0.2 0.904 99.9 47.2 -54.6 -52.2 20.6 3.3 7.9 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.888 114.9 47.4 -60.7 -34.8 19.4 1.3 4.9 87 87 A V H X S+ 0 0 9 -4,-0.6 4,-0.7 2,-0.2 3,-0.4 0.962 113.5 47.9 -67.9 -49.0 22.5 2.2 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.928 111.0 51.1 -54.0 -49.1 24.8 1.3 5.8 89 89 A D H 3< S+ 0 0 72 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 107.4 55.1 -57.8 -32.3 23.0 -2.0 6.3 90 90 A S H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.634 96.1 88.0 -77.8 -15.5 23.4 -2.8 2.6 91 91 A L S << S- 0 0 7 -3,-1.4 2,-0.1 -4,-0.7 31,-0.0 -0.483 76.7-116.6 -90.5 153.8 27.2 -2.4 2.7 92 92 A D > - 0 0 52 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.364 43.7 -96.7 -71.9 165.5 30.1 -4.7 3.5 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.794 122.1 52.7 -61.2 -33.0 32.3 -3.9 6.5 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.963 113.0 43.2 -68.3 -49.4 35.0 -2.1 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.838 106.7 62.0 -65.6 -31.8 32.5 0.3 2.8 96 96 A R H X S+ 0 0 79 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.895 100.1 55.2 -56.3 -41.5 30.8 0.8 6.1 97 97 A A H X S+ 0 0 5 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.2 0.904 104.3 53.3 -57.9 -42.9 34.0 2.3 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.913 108.9 49.7 -60.1 -42.2 34.0 4.8 4.5 99 99 A A H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.924 110.6 48.9 -61.2 -46.0 30.4 5.8 5.5 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.925 108.6 55.3 -59.4 -42.6 31.5 6.3 9.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.935 108.5 46.7 -55.6 -51.5 34.4 8.3 7.9 102 102 A M H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.909 113.7 47.8 -57.5 -47.3 32.2 10.7 6.0 103 103 A V H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.885 109.3 54.2 -64.1 -38.3 29.8 11.1 8.9 104 104 A F H < S+ 0 0 30 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.918 115.9 39.6 -58.7 -43.0 32.7 11.7 11.3 105 105 A Q H < S+ 0 0 53 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.887 134.4 13.9 -77.7 -40.6 33.9 14.5 9.0 106 106 A M H X S- 0 0 54 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.488 102.8-113.5-121.5 -5.2 30.7 16.3 8.0 107 107 A G H X - 0 0 22 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 0.102 35.4 -75.9 86.9 158.4 27.9 15.0 10.3 108 108 A E H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 128.1 52.0 -58.3 -44.8 24.8 12.9 9.7 109 109 A T H > S+ 0 0 127 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.922 109.6 49.6 -61.0 -46.4 22.8 15.7 8.1 110 110 A G H >< S+ 0 0 34 -4,-0.5 3,-0.8 1,-0.2 4,-0.2 0.924 114.4 43.9 -57.7 -48.0 25.6 16.5 5.6 111 111 A V H >< S+ 0 0 6 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.895 106.6 59.9 -68.4 -38.3 26.0 12.9 4.5 112 112 A A H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.695 95.6 66.1 -62.1 -18.9 22.2 12.3 4.3 113 113 A G T << S+ 0 0 56 -4,-0.8 2,-1.4 -3,-0.8 3,-0.3 0.567 75.5 85.8 -78.5 -11.2 22.2 15.1 1.7 114 114 A F <> + 0 0 37 -3,-2.0 4,-2.9 -4,-0.2 5,-0.2 -0.255 56.8 154.5 -81.0 49.2 24.2 12.9 -0.7 115 115 A T H > + 0 0 67 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.853 67.5 42.8 -48.8 -50.1 20.9 11.4 -1.9 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.898 114.8 49.4 -69.7 -40.2 22.0 10.3 -5.3 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 110.3 52.5 -59.9 -45.6 25.3 8.9 -4.2 118 118 A L H X S+ 0 0 18 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.896 108.3 50.1 -58.6 -44.0 23.6 7.0 -1.4 119 119 A R H X S+ 0 0 125 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.935 111.1 48.4 -61.0 -47.1 21.2 5.4 -4.0 120 120 A M H <>S+ 0 0 43 -4,-2.2 5,-2.7 1,-0.2 4,-0.4 0.862 111.1 51.2 -63.5 -35.5 24.1 4.4 -6.2 121 121 A L H ><5S+ 0 0 4 -4,-2.4 3,-1.1 3,-0.2 -1,-0.2 0.927 109.3 49.4 -66.3 -43.8 25.9 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.858 111.4 49.8 -63.7 -32.9 22.8 0.9 -2.2 123 123 A Q T 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.530 112.1-124.7 -77.5 -8.0 22.6 -0.3 -5.9 124 124 A K T < 5 + 0 0 96 -3,-1.1 2,-1.4 -4,-0.4 -3,-0.2 0.823 59.7 149.4 61.3 35.5 26.2 -1.3 -5.7 125 125 A R >< + 0 0 122 -5,-2.7 4,-3.1 1,-0.2 5,-0.2 -0.682 20.4 174.7 -93.6 76.4 27.0 0.9 -8.8 126 126 A W H > + 0 0 52 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.865 68.8 43.9 -62.5 -46.9 30.5 1.5 -7.4 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 117.2 47.6 -65.4 -42.3 32.1 3.5 -10.3 128 128 A E H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.930 112.2 49.3 -63.7 -45.4 29.0 5.6 -10.7 129 129 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 -9,-0.2 -2,-0.2 0.917 110.0 52.4 -56.8 -45.2 28.8 6.3 -7.0 130 130 A A H X S+ 0 0 12 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.911 110.1 47.6 -59.3 -46.8 32.5 7.2 -7.0 131 131 A V H < S+ 0 0 85 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.921 114.5 46.8 -60.5 -45.2 31.9 9.8 -9.8 132 132 A N H >< S+ 0 0 40 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.896 107.1 56.4 -66.2 -40.3 28.9 11.2 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.834 102.3 57.1 -60.0 -34.1 30.6 11.5 -4.7 134 134 A A T 3< S+ 0 0 26 -4,-1.3 2,-1.7 -3,-0.2 -1,-0.3 0.640 85.7 82.0 -75.2 -14.7 33.4 13.6 -6.2 135 135 A K S < S+ 0 0 159 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.539 80.8 97.0 -87.7 68.8 30.8 16.2 -7.5 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.996 86.5-115.9-155.2 152.5 30.7 17.9 -4.1 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.909 116.7 62.6 -55.2 -40.0 32.0 20.7 -2.0 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.921 105.4 41.6 -50.9 -54.3 33.5 17.9 0.2 139 139 A Y H 4 S+ 0 0 64 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 115.7 50.7 -63.7 -43.0 35.7 16.6 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.5 40.6 -65.3 -35.3 36.7 20.1 -3.8 141 141 A Q H < S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 133.1 20.9 -85.2 -34.5 37.7 21.2 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 -0.592 74.3 159.0-130.1 69.8 39.5 18.0 0.9 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.890 70.2 50.5 -67.6 -38.7 40.3 16.2 -2.3 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.937 117.0 40.3 -67.1 -42.4 43.1 13.9 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 116.1 50.7 -67.3 -44.8 41.0 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.907 107.3 55.0 -60.9 -40.4 37.9 12.4 -0.2 147 147 A K H X S+ 0 0 98 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.907 108.3 48.5 -57.8 -42.8 39.8 10.5 -2.8 148 148 A R H X S+ 0 0 56 -4,-1.6 4,-1.8 2,-0.2 12,-0.2 0.930 114.2 45.1 -62.5 -46.6 40.8 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 114.2 48.8 -66.6 -44.3 37.3 7.6 1.1 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.898 108.5 53.4 -61.6 -42.0 35.8 7.3 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.6 4,-2.5 -5,-0.2 6,-0.4 0.881 107.6 52.7 -58.9 -37.6 38.4 4.7 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.919 112.4 43.9 -64.2 -44.2 37.3 2.7 -0.4 153 153 A F H < S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 115.4 49.7 -65.5 -36.9 33.7 3.0 -1.6 154 154 A R H < S+ 0 0 105 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.909 126.2 21.2 -70.9 -39.6 34.7 2.1 -5.1 155 155 A T H < S- 0 0 40 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.664 84.7-133.7-105.4 -24.7 36.8 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.727 74.5 107.6 66.3 22.3 35.7 -2.3 -1.0 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.783 79.2-125.0-121.3 169.5 39.4 -2.6 -0.2 158 158 A W S >> S+ 0 0 41 -2,-0.3 3,-2.1 1,-0.2 4,-0.8 0.081 70.5 122.8 -96.9 20.2 41.8 -0.6 2.1 159 159 A D T 34 + 0 0 117 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.808 67.5 57.7 -56.8 -33.5 44.2 0.0 -0.9 160 160 A A T 34 S+ 0 0 23 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.641 114.1 39.0 -72.8 -13.2 44.0 3.8 -0.4 161 161 A Y T X4 S+ 0 0 2 -3,-2.1 3,-0.9 -13,-0.1 -1,-0.2 0.437 90.9 88.1-114.1 -5.3 45.3 3.5 3.2 162 162 A K T 3< S+ 0 0 127 -4,-0.8 -2,-0.1 -3,-0.5 -3,-0.1 0.744 88.2 49.2 -73.0 -25.7 47.9 0.7 2.8 163 163 A N T 3 0 0 156 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.529 360.0 360.0 -82.4 -5.7 50.8 3.0 2.0 164 164 A L < 0 0 102 -3,-0.9 -1,-0.2 0, 0.0 -2,-0.2 0.406 360.0 360.0-105.2 360.0 49.9 5.2 5.0