==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 28-MAY-93 221L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 7.4 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 2 1 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.1 43.7 -1.7 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.4 95,-0.0 3,-0.4 -0.894 360.0 -79.7-149.5 178.0 40.4 -0.9 10.9 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.840 125.7 53.3 -53.3 -42.1 38.2 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 111.7 42.6 -60.7 -47.5 40.4 3.6 14.1 5 5 A E H > S+ 0 0 93 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.851 113.7 53.5 -68.6 -36.3 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.4 0.964 112.8 41.9 -63.5 -51.9 42.1 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.840 109.7 58.9 -65.2 -32.3 40.7 7.9 10.9 8 8 A R H X S+ 0 0 100 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.873 108.7 46.6 -65.7 -28.9 44.0 8.3 12.9 9 9 A I H < S+ 0 0 86 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.892 115.4 44.5 -75.9 -44.2 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.826 124.7 30.7 -72.3 -32.8 43.3 11.0 8.1 11 11 A E H < S- 0 0 43 -4,-2.3 19,-0.3 -5,-0.2 -2,-0.2 0.697 90.8-152.9-101.7 -23.0 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.1 -0.155 26.0 -88.4 72.2-173.8 46.4 13.1 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.983 41.9 175.1-137.2 124.4 46.8 13.7 16.6 14 14 A R E -A 28 0A 139 14,-1.5 14,-2.2 -2,-0.4 4,-0.1 -0.997 18.3-162.5-132.1 132.1 47.4 17.1 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.406 74.0 62.9 -95.0 2.7 47.5 17.6 21.9 16 16 A K E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.948 101.0 -87.6-126.7 144.4 47.0 21.4 21.8 17 17 A I E + 0 0 17 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.257 59.9 169.5 -50.0 135.8 43.9 23.3 20.5 18 18 A Y E -A 26 0A 28 8,-2.5 8,-2.7 -4,-0.1 2,-0.5 -0.843 35.9-100.3-140.9 174.9 44.4 23.9 16.8 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.876 33.0-139.6-105.9 133.1 42.4 25.0 13.8 20 20 A D > - 0 0 48 4,-2.5 3,-1.6 -2,-0.5 -1,-0.1 -0.035 41.2 -82.2 -75.2-172.0 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.775 133.2 48.7 -66.9 -21.3 41.0 22.9 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.412 123.8-103.8 -92.7 -3.8 37.8 25.1 7.9 23 23 A G S < S+ 0 0 37 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.548 73.9 140.5 89.7 17.1 39.3 27.2 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.721 60.7 -99.9 -98.6 149.7 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-2.7 11,-0.4 9,-1.3 -0.401 54.7 161.7 -62.6 124.7 38.8 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.7 -8,-2.5 6,-0.3 2,-0.3 -0.883 18.2-169.1-139.2 165.0 39.7 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.7 -2,-0.3 -12,-0.2 -0.983 52.1 0.7-151.6 163.1 41.8 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.5 -2,-0.3 2,-1.0 -0.363 122.8 -5.2 65.8-133.9 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.599 126.9 -54.1 -98.9 69.2 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.761 83.2 159.1 72.3 23.6 39.7 15.5 14.8 31 31 A H E < -B 27 0A 29 -4,-1.7 -4,-1.5 1,-0.0 -1,-0.2 -0.671 35.0-141.9 -83.5 102.2 37.4 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.363 19.3-175.7 -60.3 128.4 35.7 19.6 16.7 33 33 A L E - 0 0 14 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.903 58.3 -25.9 -92.4 -47.7 35.3 21.8 19.8 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.3 -0.962 35.2-138.9-163.3 150.8 33.3 24.8 18.5 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.487 74.8 111.9 -90.5 -5.0 32.6 26.7 15.3 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.398 72.5-132.3 -70.8 146.1 32.8 29.8 17.3 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.472 75.7 103.9 -78.0 4.3 35.7 32.2 16.7 38 38 A S > - 0 0 49 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.761 56.9-160.1 -97.7 126.0 36.4 32.5 20.3 39 39 A L H > S+ 0 0 70 -2,-0.7 4,-2.3 1,-0.3 5,-0.2 0.764 98.3 53.7 -66.6 -24.2 39.4 30.7 21.8 40 40 A N H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.887 103.3 53.7 -77.9 -36.2 37.8 31.1 25.1 41 41 A A H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.914 111.3 49.2 -61.0 -35.7 34.6 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.901 109.2 49.3 -69.2 -44.4 36.9 26.6 22.7 43 43 A K H X S+ 0 0 49 -4,-2.3 4,-2.7 1,-0.2 11,-0.3 0.899 109.9 53.5 -64.6 -35.7 38.8 26.2 26.0 44 44 A S H X S+ 0 0 71 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.928 110.3 44.9 -64.5 -47.2 35.4 26.2 27.8 45 45 A E H X S+ 0 0 62 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.916 112.6 53.9 -63.0 -42.0 34.0 23.4 25.7 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.944 109.3 46.6 -58.2 -47.0 37.3 21.5 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.7 4,-2.1 1,-0.2 5,-0.9 0.907 113.0 49.1 -63.7 -39.1 37.2 21.7 29.8 48 48 A K H <5S+ 0 0 139 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.833 111.7 50.8 -63.9 -38.6 33.6 20.6 29.9 49 49 A S H <5S+ 0 0 50 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.879 119.4 34.3 -69.0 -38.1 34.5 17.7 27.5 50 50 A I H <5S- 0 0 38 -4,-2.4 -2,-0.2 2,-0.3 -3,-0.2 0.670 100.8-125.5 -92.6 -23.8 37.4 16.4 29.7 51 51 A G T <5S+ 0 0 69 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.785 79.2 73.2 84.6 21.3 36.1 17.1 33.1 52 52 A R S - 0 0 7 -2,-1.0 3,-1.5 -11,-0.3 -1,-0.2 0.706 31.0-143.6 -90.3 -19.1 42.9 21.9 30.8 55 55 A N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.832 75.1 -57.9 58.7 31.4 44.2 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.508 117.6 99.7 80.2 4.9 44.0 24.1 26.1 57 57 A V B < +C 16 0B 69 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.973 44.4 177.4-128.5 136.6 46.2 21.0 26.5 58 58 A I - 0 0 4 -43,-2.0 2,-0.1 -2,-0.4 -30,-0.1 -0.822 27.1-111.8-127.9 165.1 45.3 17.3 26.9 59 59 A T > - 0 0 62 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.491 35.4-102.1 -89.7 170.2 47.2 14.0 27.2 60 60 A K H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.854 122.2 52.6 -57.3 -43.4 47.3 11.2 24.7 61 61 A D H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 108.7 50.5 -60.7 -43.2 44.9 9.1 26.7 62 62 A E H > S+ 0 0 40 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.904 110.6 49.5 -64.1 -41.3 42.4 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -34,-0.4 0.882 111.6 49.7 -61.9 -40.0 42.6 12.4 23.1 64 64 A E H X S+ 0 0 74 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.850 107.7 53.2 -68.9 -34.4 42.0 8.7 22.7 65 65 A K H X S+ 0 0 135 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 109.5 47.7 -66.5 -45.3 39.1 8.8 25.0 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.936 111.9 51.6 -58.8 -43.6 37.4 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.903 106.4 52.2 -62.5 -43.2 38.2 9.6 19.8 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.934 111.7 48.3 -61.1 -39.9 36.6 6.4 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.890 111.0 51.6 -63.1 -39.0 33.4 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.852 109.3 45.6 -69.5 -38.1 33.4 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.933 113.6 52.5 -71.1 -42.1 33.6 6.8 16.5 72 72 A D H X S+ 0 0 85 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.940 111.2 45.8 -55.1 -49.7 30.9 5.3 18.7 73 73 A A H X S+ 0 0 45 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.885 110.5 54.3 -63.0 -38.9 28.6 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.965 110.9 44.7 -59.1 -54.1 29.4 8.2 14.4 75 75 A V H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.943 115.9 47.5 -51.5 -54.5 28.3 4.5 14.1 76 76 A R H X S+ 0 0 111 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.875 109.2 54.2 -59.8 -38.4 25.2 5.1 16.3 77 77 A G H X S+ 0 0 4 -4,-2.7 4,-0.7 -5,-0.3 -1,-0.2 0.949 108.3 49.2 -63.3 -43.5 24.3 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 7,-0.5 0.937 110.8 50.1 -57.7 -45.9 24.4 6.1 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.9 47.0 -66.8 -27.6 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 177 -4,-1.8 2,-0.5 -3,-0.2 -1,-0.2 0.436 94.0 94.6 -89.8 -9.3 19.6 5.8 13.8 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.6 0.868 100.6 66.7 -87.6 -45.9 22.1 6.0 6.2 85 85 A K H 3X S+ 0 0 84 -4,-2.4 4,-2.8 -7,-0.5 5,-0.2 0.901 99.6 51.0 -46.3 -50.3 21.2 2.8 7.9 86 86 A P H 3> S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.885 111.2 49.1 -62.0 -32.6 20.0 1.0 4.7 87 87 A V H <> S+ 0 0 2 -3,-0.6 4,-0.6 -4,-0.4 3,-0.3 0.962 111.8 48.0 -69.1 -48.0 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 32 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.920 109.6 52.4 -56.1 -48.2 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 107.8 54.0 -61.5 -31.1 23.5 -2.5 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.3 2,-0.2 0.586 96.5 87.5 -75.5 -15.1 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.5 31,-0.0 -4,-0.6 30,-0.0 -0.602 74.7-116.5 -94.4 158.8 27.8 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.161 45.1 -92.0 -76.7 172.1 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.877 121.8 46.6 -60.9 -39.7 33.1 -4.4 6.1 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.944 112.6 47.9 -67.1 -47.8 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.848 104.9 61.2 -64.2 -31.5 33.1 0.1 2.7 96 96 A R H X S+ 0 0 82 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.918 101.7 53.9 -60.2 -38.7 31.3 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.873 105.4 53.3 -60.6 -38.8 34.5 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.883 109.5 47.0 -64.6 -42.1 34.5 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 110.8 52.9 -67.5 -37.0 30.9 5.6 5.2 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.937 106.6 53.4 -63.9 -40.2 31.9 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.939 108.5 48.8 -60.2 -47.6 34.8 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.9 1,-0.2 5,-0.4 0.913 112.1 49.0 -58.2 -43.9 32.6 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.942 108.9 51.9 -64.6 -44.0 30.1 10.8 8.8 104 104 A F H < S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 117.6 39.7 -57.5 -39.2 32.9 11.4 11.4 105 105 A Q H < S+ 0 0 59 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.874 132.3 19.4 -78.4 -45.6 34.2 14.3 9.2 106 106 A M H X S- 0 0 53 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.491 102.9-113.2-114.6 0.8 31.1 15.9 8.0 107 107 A G H X - 0 0 34 -4,-2.6 4,-2.1 -5,-0.4 5,-0.2 0.126 33.4 -83.3 80.6 151.3 28.2 14.8 10.2 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 127.0 54.4 -57.5 -40.6 25.2 12.7 9.5 109 109 A T H > S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.936 107.7 49.4 -63.1 -45.3 23.3 15.4 8.1 110 110 A G H < S+ 0 0 31 -4,-0.6 3,-0.5 2,-0.2 4,-0.2 0.924 114.4 43.5 -59.2 -49.4 26.0 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-3.0 1,-0.2 -2,-0.2 0.934 106.4 60.4 -65.3 -44.2 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 95.9 67.2 -55.3 -23.1 22.7 12.1 4.3 113 113 A G T 3< S+ 0 0 52 -4,-1.0 2,-1.7 -3,-0.5 -1,-0.3 0.663 75.4 83.8 -70.9 -17.7 22.7 14.9 1.8 114 114 A F <> + 0 0 43 -3,-3.0 4,-2.4 -4,-0.2 3,-0.4 -0.295 57.3 159.7 -82.5 51.9 24.7 12.9 -0.9 115 115 A T H > + 0 0 81 -2,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.826 65.8 45.3 -42.2 -55.3 21.5 11.4 -2.1 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.877 114.2 47.5 -61.2 -43.5 22.6 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.856 109.3 54.8 -66.9 -39.6 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.887 108.5 49.0 -61.5 -40.1 24.2 6.9 -1.5 119 119 A R H X S+ 0 0 118 -4,-1.5 4,-1.7 -5,-0.3 -2,-0.2 0.910 111.3 49.4 -67.4 -39.4 21.8 5.3 -4.0 120 120 A M H <>S+ 0 0 24 -4,-2.0 5,-2.3 1,-0.2 4,-0.3 0.892 110.5 49.7 -68.2 -37.3 24.7 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.929 108.6 53.5 -67.1 -40.3 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.888 110.0 47.2 -61.6 -33.7 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.405 113.2-120.2 -86.1 -0.8 23.2 -0.6 -5.8 124 124 A K T < 5 + 0 0 99 -3,-1.7 2,-1.3 -4,-0.3 -3,-0.2 0.767 61.4 148.5 65.0 32.8 26.8 -1.5 -5.8 125 125 A R >< + 0 0 114 -5,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.698 20.6 174.1 -96.6 79.3 27.6 0.7 -8.8 126 126 A W H > + 0 0 52 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.863 69.5 44.4 -57.2 -53.0 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 115.7 49.3 -65.4 -38.7 32.7 3.3 -10.4 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.878 109.5 50.7 -68.7 -37.9 29.7 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.873 108.1 53.4 -64.9 -38.9 29.5 6.2 -7.2 130 130 A A H X S+ 0 0 11 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.880 109.0 49.2 -62.6 -41.3 33.2 7.3 -7.1 131 131 A V H < S+ 0 0 91 -4,-1.7 3,-0.5 1,-0.2 4,-0.4 0.935 114.5 44.4 -63.9 -47.3 32.6 9.7 -10.0 132 132 A N H >< S+ 0 0 42 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.863 107.4 58.4 -69.1 -35.4 29.5 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.3 1,-0.2 -1,-0.2 0.839 99.4 59.9 -63.2 -29.6 31.2 11.5 -4.9 134 134 A A T 3< S+ 0 0 28 -4,-1.0 2,-1.6 -3,-0.5 -1,-0.2 0.655 85.8 80.0 -74.6 -16.0 34.0 13.7 -6.5 135 135 A K S < S+ 0 0 154 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 -0.543 79.7 95.4 -89.7 68.4 31.5 16.4 -7.6 136 136 A S S > S- 0 0 18 -2,-1.6 4,-1.8 1,-0.1 3,-0.2 -0.998 85.8-115.4-153.2 157.8 31.3 17.9 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.902 114.0 64.6 -60.5 -38.8 32.7 20.7 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.917 105.0 42.6 -47.5 -50.7 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.2 49.6 -68.8 -40.9 36.4 16.6 -2.6 140 140 A N H < S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 116.0 42.5 -69.3 -33.4 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.873 131.8 19.0 -80.8 -43.6 38.3 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 -0.572 73.8 162.7-127.3 68.8 40.1 18.1 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.827 69.4 51.4 -59.3 -39.2 41.1 16.3 -2.1 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.936 115.9 41.0 -66.4 -45.9 43.8 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.906 115.0 51.4 -66.2 -45.9 41.6 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 -8,-0.2 5,-0.3 0.934 107.8 54.1 -56.3 -45.5 38.5 12.5 -0.2 147 147 A K H X S+ 0 0 96 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.903 107.3 51.0 -56.7 -42.3 40.5 10.5 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.943 113.7 43.1 -61.1 -46.6 41.5 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.934 114.2 51.2 -65.6 -43.9 37.8 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.855 108.6 50.9 -60.6 -39.0 36.6 7.4 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.888 107.6 54.5 -68.7 -36.4 39.2 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.880 110.9 44.9 -62.3 -41.0 38.0 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.8 49.2 -72.0 -37.5 34.4 2.8 -1.8 154 154 A R H < S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 125.1 23.7 -65.7 -45.6 35.5 2.0 -5.4 155 155 A T H < S- 0 0 43 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.700 85.8-135.7 -98.2 -27.7 37.7 -1.0 -4.6 156 156 A G S < S+ 0 0 16 -4,-1.9 2,-0.2 -5,-0.3 -62,-0.2 0.713 72.1 99.7 74.8 22.5 36.6 -2.4 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.4 -5,-0.1 -1,-0.3 -0.807 80.5-116.9-129.2 175.1 40.2 -2.7 -0.1 158 158 A W S > S+ 0 0 44 -2,-0.2 3,-2.6 1,-0.2 4,-0.4 0.225 71.8 122.8 -97.9 18.1 42.5 -0.7 2.1 159 159 A D G > + 0 0 96 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.784 65.6 57.3 -51.5 -34.9 44.9 -0.0 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.650 108.5 48.8 -74.5 -13.6 44.8 3.8 -0.3 161 161 A Y G < 0 0 19 -3,-2.6 -1,-0.3 -13,-0.1 -2,-0.2 0.364 360.0 360.0-105.3 3.6 45.8 3.6 3.2 162 162 A K < 0 0 175 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.776 360.0 360.0-108.7 360.0 48.7 1.3 2.6