==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 15-OCT-93 140L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 54.3 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 0 3 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 66 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 147.3 43.7 -1.9 8.9 2 2 A N > - 0 0 72 1,-0.1 4,-2.7 156,-0.0 5,-0.2 -0.948 360.0 -83.4-155.9 172.1 40.6 -0.8 10.7 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.879 123.1 50.4 -51.7 -46.4 38.4 2.3 11.3 4 4 A F H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 114.7 42.9 -61.4 -44.8 40.5 3.6 14.2 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 112.6 54.5 -69.2 -36.3 43.7 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 3,-0.2 0.967 113.2 40.6 -63.4 -47.4 42.1 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.5 0.818 107.5 61.8 -73.2 -27.7 40.9 7.8 11.0 8 8 A R H X S+ 0 0 105 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.918 108.2 46.2 -64.5 -31.8 44.1 8.2 12.9 9 9 A I H < S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.896 115.2 43.1 -73.1 -45.6 45.8 8.6 9.6 10 10 A D H < S+ 0 0 19 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.809 124.3 34.5 -71.8 -30.9 43.3 11.0 8.1 11 11 A E H < S- 0 0 46 -4,-2.8 19,-0.4 -5,-0.1 -2,-0.2 0.735 90.3-152.7 -96.5 -31.5 43.0 13.2 11.2 12 12 A G < - 0 0 22 -4,-1.6 2,-0.4 -5,-0.5 -1,-0.1 -0.235 23.2 -86.3 83.6-175.7 46.3 13.2 12.8 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.986 42.6 171.3-136.6 124.8 47.0 13.7 16.5 14 14 A R E -A 28 0A 136 14,-1.4 14,-2.4 -2,-0.4 4,-0.1 -0.984 20.4-165.9-138.9 122.0 47.4 17.0 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-1.7 12,-0.2 2,-0.3 0.394 73.3 65.0 -84.0 0.5 47.5 17.6 21.9 16 16 A K E S-C 57 0B 113 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.942 98.4 -89.3-125.2 149.0 47.0 21.3 21.7 17 17 A I E + 0 0 27 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.322 59.4 168.9 -55.2 135.0 44.0 23.3 20.6 18 18 A Y E -A 26 0A 28 8,-3.1 8,-3.6 -4,-0.1 2,-0.4 -0.873 36.1-105.6-140.7 172.4 44.3 23.9 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.819 33.3-139.5-102.3 138.3 42.4 25.1 13.8 20 20 A D > - 0 0 50 4,-2.5 3,-1.4 -2,-0.4 -1,-0.1 -0.200 40.6 -79.6 -84.1-170.8 41.1 22.6 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.635 133.4 46.7 -60.5 -23.3 41.0 22.9 7.5 22 22 A E T 3 S- 0 0 82 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.408 123.8-100.5 -99.0 -3.8 37.8 25.1 7.8 23 23 A G S < S+ 0 0 35 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.443 74.9 139.8 97.8 8.3 39.2 27.3 10.6 24 24 A Y - 0 0 82 1,-0.1 -4,-2.5 -5,-0.0 2,-0.3 -0.638 60.5-101.6 -93.5 149.0 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 32 9,-0.8 8,-3.3 11,-0.4 9,-1.3 -0.389 54.8 159.3 -63.3 116.0 38.8 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.6 -8,-3.1 -2,-0.3 2,-0.3 -0.850 17.3-176.4-134.7 170.2 39.7 21.4 17.2 27 27 A I E > + B 0 31A 0 4,-1.2 4,-1.8 -2,-0.3 -12,-0.2 -0.972 50.8 9.2-160.2 165.0 41.9 19.1 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.4 -2,-0.3 2,-0.9 -0.378 121.8 -8.9 66.0-129.8 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.675 126.8 -50.1-105.8 79.5 42.1 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.728 85.3 159.4 68.9 20.4 39.7 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-1.8 -4,-1.2 1,-0.0 -1,-0.2 -0.606 33.8-143.2 -80.8 102.0 37.5 16.3 17.7 32 32 A L E -B 26 0A 76 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.392 19.6-177.5 -63.7 130.4 35.7 19.5 16.7 33 33 A L E - 0 0 14 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.870 57.0 -30.0 -95.8 -44.6 35.4 21.8 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.8 2,-0.1 -1,-0.4 -0.961 33.5-135.6-168.8 155.3 33.3 24.7 18.3 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.545 73.6 111.6 -92.8 -9.7 32.6 26.7 15.2 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.369 74.4-129.1 -69.6 142.1 32.8 29.9 17.2 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.298 77.5 106.4 -70.9 5.8 35.7 32.2 16.4 38 38 A S > - 0 0 46 1,-0.2 4,-2.6 2,-0.0 5,-0.2 -0.825 55.0-162.7-104.6 119.4 36.6 32.4 20.1 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.9 1,-0.3 -1,-0.2 0.857 98.1 52.4 -58.8 -35.6 39.5 30.6 21.6 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.927 105.2 51.7 -70.5 -41.9 37.9 31.1 24.9 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.949 112.4 49.5 -57.6 -40.5 34.7 29.6 23.8 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.914 108.4 51.3 -63.1 -43.6 36.9 26.7 22.6 43 43 A K H X S+ 0 0 62 -4,-2.9 4,-2.1 2,-0.2 11,-0.2 0.911 109.5 51.2 -62.1 -38.4 38.7 26.4 25.9 44 44 A S H X S+ 0 0 76 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.947 109.5 49.2 -61.9 -49.6 35.4 26.3 27.7 45 45 A E H X S+ 0 0 69 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.935 109.8 53.2 -57.3 -44.1 34.2 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.931 107.7 47.9 -58.6 -48.6 37.4 21.5 26.0 47 47 A D H X>S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 5,-1.2 0.909 112.9 49.6 -62.0 -38.1 37.3 21.6 29.8 48 48 A K H <5S+ 0 0 139 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.864 111.2 49.7 -64.8 -39.8 33.6 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.882 121.7 33.8 -67.6 -36.3 34.5 17.7 27.3 50 50 A I H <5S- 0 0 37 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.682 103.6-123.5 -93.7 -28.3 37.4 16.5 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.803 77.6 71.4 87.1 26.6 36.0 17.2 32.9 52 52 A R S - 0 0 4 -2,-1.2 3,-0.8 -11,-0.2 -1,-0.2 0.831 31.5-145.4 -83.5 -36.3 42.8 22.0 30.7 55 55 A N T 3 S- 0 0 125 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.866 72.5 -61.7 69.8 31.5 44.3 25.2 29.7 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.472 116.4 97.9 73.9 5.5 44.1 24.0 26.0 57 57 A V B < +C 16 0B 61 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.971 46.0 178.8-127.8 137.3 46.3 21.0 26.4 58 58 A I - 0 0 5 -43,-1.7 2,-0.2 -2,-0.4 -30,-0.1 -0.831 27.8-108.8-129.0 169.2 45.3 17.3 26.9 59 59 A T > - 0 0 60 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.528 33.4-105.3 -96.4 167.6 47.2 14.1 27.2 60 60 A K H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 122.0 53.1 -56.2 -46.1 47.3 11.3 24.7 61 61 A D H > S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.887 108.4 50.6 -56.8 -41.9 45.0 9.1 26.8 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.933 110.6 49.1 -61.9 -45.8 42.5 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.3 -34,-0.4 0.880 110.7 50.3 -58.1 -45.4 42.7 12.4 23.1 64 64 A E H X S+ 0 0 82 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.3 0.786 106.9 55.7 -66.2 -28.8 42.2 8.8 22.6 65 65 A K H X S+ 0 0 139 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.950 107.6 46.6 -72.1 -44.5 39.2 8.9 24.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 111.3 56.5 -60.4 -36.2 37.4 11.6 22.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.940 106.2 47.3 -62.5 -47.0 38.3 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.935 112.8 49.7 -60.0 -44.4 36.6 6.4 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.927 111.3 49.6 -63.2 -39.7 33.6 8.4 22.0 70 70 A D H X S+ 0 0 40 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.858 109.9 47.5 -70.9 -37.0 33.5 9.9 18.6 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.950 112.0 52.8 -66.8 -44.2 33.8 6.7 16.6 72 72 A D H X S+ 0 0 86 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.918 108.4 48.9 -54.0 -47.8 31.1 5.3 18.7 73 73 A A H X S+ 0 0 49 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.878 109.0 54.3 -62.4 -37.1 28.8 8.2 18.1 74 74 A A H X S+ 0 0 8 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.953 110.6 44.6 -62.2 -51.4 29.4 8.0 14.3 75 75 A V H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.933 115.6 47.9 -57.0 -48.6 28.4 4.4 14.1 76 76 A R H X S+ 0 0 103 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.912 110.1 51.5 -64.0 -39.6 25.4 4.9 16.3 77 77 A G H X S+ 0 0 15 -4,-2.9 4,-0.5 -5,-0.2 -1,-0.2 0.829 109.7 50.5 -68.5 -26.5 24.3 7.9 14.3 78 78 A I H >< S+ 0 0 0 -4,-1.8 3,-1.2 -5,-0.2 7,-0.4 0.949 108.6 52.3 -70.9 -44.7 24.5 5.9 11.1 79 79 A L H 3< S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.712 113.1 43.3 -64.7 -23.5 22.4 3.1 12.6 80 80 A R H 3< S+ 0 0 189 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.435 91.1 100.7 -99.5 -5.5 19.7 5.5 13.7 81 81 A N S+ 0 0 148 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.856 121.6 40.2 -88.8 -35.5 18.7 7.3 5.1 84 84 A L H >> S+ 0 0 0 1,-0.2 4,-2.6 -7,-0.2 3,-0.7 0.870 100.5 68.0 -78.2 -44.6 22.0 6.0 6.2 85 85 A K H 3X S+ 0 0 83 -4,-3.1 4,-2.5 -7,-0.4 5,-0.2 0.872 98.9 50.6 -46.1 -49.9 21.2 2.8 7.9 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.817 111.1 48.9 -63.8 -31.9 20.0 1.0 4.8 87 87 A V H < S+ 0 0 33 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.943 108.5 53.1 -53.7 -50.8 25.4 0.7 5.8 89 89 A D H 3< S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.861 106.7 53.7 -57.2 -34.9 23.6 -2.5 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.637 95.9 88.4 -78.5 -10.7 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.6 2,-0.0 -4,-0.8 31,-0.0 -0.513 74.7-117.7 -91.6 158.6 27.8 -2.7 2.5 92 92 A D > - 0 0 58 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.287 45.2 -90.1 -78.6 173.3 30.7 -5.1 3.2 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.814 122.3 45.9 -57.9 -37.0 33.1 -4.4 6.1 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.956 111.8 50.0 -72.4 -47.7 35.6 -2.3 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.869 106.1 58.1 -59.2 -34.8 33.2 -0.1 2.7 96 96 A R H X S+ 0 0 77 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.909 101.0 55.7 -62.3 -40.5 31.3 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.6 -3,-0.2 -1,-0.2 0.910 106.6 51.9 -55.9 -41.3 34.5 1.8 7.5 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.883 106.6 51.3 -63.3 -42.4 34.5 4.4 4.7 99 99 A L H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.929 110.1 52.2 -62.1 -38.7 31.0 5.4 5.4 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.939 106.3 52.2 -62.3 -46.9 32.0 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.935 109.0 49.6 -54.3 -48.2 34.9 8.1 8.1 102 102 A M H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.879 112.5 48.2 -61.2 -40.1 32.8 10.4 6.0 103 103 A V H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.868 109.3 53.6 -69.1 -31.8 30.2 10.6 8.9 104 104 A F H < S+ 0 0 32 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.955 116.0 38.0 -67.3 -44.4 33.0 11.4 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.905 132.2 22.0 -74.0 -42.1 34.3 14.2 9.2 106 106 A M H X S- 0 0 52 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.491 102.8-116.7-109.8 -3.2 31.1 15.7 7.9 107 107 A G H X - 0 0 33 -4,-1.8 4,-2.1 -5,-0.3 5,-0.3 0.162 34.5 -78.0 82.2 155.5 28.3 14.7 10.3 108 108 A E H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 128.6 50.7 -56.9 -43.7 25.2 12.6 9.7 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.935 107.2 54.6 -62.4 -43.7 23.3 15.3 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.8 1,-0.2 4,-0.4 0.929 112.6 41.3 -56.5 -50.6 26.1 16.1 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.890 104.4 64.5 -67.9 -38.1 26.4 12.6 4.4 112 112 A A H 3< S+ 0 0 19 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.779 95.1 64.4 -56.8 -21.7 22.7 12.0 4.3 113 113 A G T << S+ 0 0 51 -4,-1.0 2,-3.4 -3,-0.8 3,-0.4 0.733 74.3 86.4 -75.2 -21.9 22.7 14.7 1.6 114 114 A F <> + 0 0 37 -3,-1.9 4,-2.1 -4,-0.4 3,-0.3 -0.124 57.2 155.1 -73.5 52.3 24.8 12.8 -0.8 115 115 A T H > + 0 0 88 -2,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.864 63.5 47.9 -48.4 -51.3 21.5 11.3 -1.9 116 116 A N H > S+ 0 0 104 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.903 112.8 46.6 -66.0 -36.6 22.5 10.4 -5.3 117 117 A S H > S+ 0 0 4 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.822 109.6 56.6 -72.3 -28.0 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 19 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.880 105.0 50.3 -69.4 -38.6 24.0 6.8 -1.6 119 119 A R H X S+ 0 0 148 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.916 113.3 47.1 -65.8 -40.8 21.5 5.3 -4.1 120 120 A M H X>S+ 0 0 38 -4,-1.7 5,-1.8 2,-0.2 4,-0.9 0.934 109.4 53.6 -67.1 -42.8 24.4 4.2 -6.3 121 121 A A H ><5S+ 0 0 5 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.966 109.1 48.4 -57.1 -49.1 26.3 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 96 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.841 109.9 51.9 -62.0 -28.7 23.3 0.8 -2.4 123 123 A Q H 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.573 110.0-123.7 -85.5 -1.6 23.0 -0.4 -6.0 124 124 A K T <<5 + 0 0 100 -3,-1.7 2,-1.6 -4,-0.9 -3,-0.2 0.735 61.1 147.9 66.6 28.0 26.7 -1.4 -6.0 125 125 A R >< + 0 0 105 -5,-1.8 4,-2.0 1,-0.2 -1,-0.2 -0.654 21.9 175.2 -89.7 72.7 27.4 0.8 -9.0 126 126 A W H > + 0 0 50 -2,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.891 67.0 43.4 -47.7 -60.0 31.0 1.5 -7.7 127 127 A D H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 115.3 49.6 -60.9 -38.9 32.6 3.6 -10.5 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 110.1 50.7 -70.6 -39.2 29.5 5.7 -11.0 129 129 A M H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.862 109.7 50.5 -62.1 -41.0 29.2 6.5 -7.3 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.947 108.8 51.3 -64.9 -47.0 32.9 7.5 -7.0 131 131 A V H X S+ 0 0 91 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.926 113.3 46.3 -55.0 -46.6 32.5 9.8 -10.0 132 132 A N H >< S+ 0 0 42 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.870 106.6 57.2 -67.6 -37.6 29.5 11.4 -8.3 133 133 A L H 3< S+ 0 0 4 -4,-2.5 6,-0.4 1,-0.2 -1,-0.2 0.881 100.6 60.1 -64.6 -26.2 31.2 11.7 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.5 2,-1.9 -3,-0.3 -1,-0.2 0.727 84.9 78.6 -76.6 -16.8 33.9 13.7 -6.5 135 135 A K S << S+ 0 0 159 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.497 81.4 96.9 -88.8 68.4 31.6 16.4 -7.6 136 136 A S S > S- 0 0 20 -2,-1.9 4,-1.8 1,-0.1 5,-0.2 -0.990 83.9-115.8-151.3 161.8 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.879 114.3 62.3 -61.6 -44.2 32.7 20.6 -2.1 138 138 A W H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.954 106.8 44.9 -49.0 -49.3 34.1 17.9 0.2 139 139 A Y H 4 S+ 0 0 54 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.6 48.7 -63.2 -41.2 36.3 16.7 -2.6 140 140 A N H < S+ 0 0 108 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.802 116.5 43.6 -70.1 -27.4 37.4 20.2 -3.7 141 141 A Q H < S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 132.0 16.3 -86.6 -42.8 38.3 21.2 -0.2 142 142 A T S X S+ 0 0 20 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 -0.506 74.1 160.8-130.0 66.9 40.1 18.1 1.1 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.801 71.0 51.5 -58.5 -40.2 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.958 117.2 39.5 -67.3 -44.8 43.7 13.9 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.972 116.2 50.3 -65.2 -53.0 41.6 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.922 108.2 55.4 -48.0 -46.7 38.5 12.6 -0.1 147 147 A K H X S+ 0 0 98 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.890 106.4 50.0 -55.8 -43.5 40.5 10.6 -2.7 148 148 A R H X S+ 0 0 67 -4,-1.7 4,-1.4 -3,-0.4 -1,-0.2 0.889 113.8 44.7 -63.3 -41.8 41.5 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.873 111.3 52.2 -70.3 -41.5 37.9 7.5 1.2 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.908 109.7 49.4 -63.3 -41.8 36.4 7.4 -2.3 151 151 A T H X S+ 0 0 44 -4,-2.0 4,-3.0 -5,-0.3 6,-0.4 0.909 111.1 50.6 -62.0 -41.3 38.8 4.7 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 5,-0.3 0.933 113.6 44.4 -60.5 -46.7 38.0 2.8 -0.2 153 153 A L H < S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.844 116.9 46.7 -67.8 -36.7 34.3 3.0 -0.9 154 154 A R H < S+ 0 0 90 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.909 123.6 28.0 -73.4 -46.6 34.8 2.2 -4.6 155 155 A T H < S- 0 0 41 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.666 87.6-133.6 -94.0 -20.3 37.0 -0.8 -4.2 156 156 A G S < S+ 0 0 17 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.788 72.0 101.5 71.3 23.3 36.3 -2.3 -0.9 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.2 -0.876 77.1-122.3-133.8 173.7 40.0 -2.6 -0.1 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.0 1,-0.2 4,-0.5 0.202 70.3 120.6 -99.9 16.7 42.5 -0.7 2.0 159 159 A D G >4 + 0 0 117 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.851 66.7 59.1 -50.4 -41.9 44.8 -0.0 -0.8 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.698 108.7 46.1 -64.5 -15.5 44.7 3.8 -0.5 161 161 A Y G <4 0 0 19 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.458 360.0 360.0-106.7 0.4 45.9 3.6 3.0 162 162 A K << 0 0 172 -3,-1.4 -2,-0.1 -4,-0.5 -3,-0.1 0.765 360.0 360.0-105.9 360.0 48.8 1.2 2.6