==== 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 (O-GLYCOSYL) 05-FEB-88 1L14 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAO-PIN,T.ALBER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 11 6.7 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 1 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 90 0, 0.0 2,-0.2 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.4 36.9 -23.5 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.4 1,-0.0 3,-0.3 -0.825 360.0 -84.5-142.4 177.0 34.7 -21.0 10.9 3 3 A I H > S+ 0 0 20 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.849 124.1 51.6 -55.4 -41.9 34.4 -17.2 11.4 4 4 A F H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.926 112.5 44.0 -65.4 -43.3 37.0 -17.1 14.2 5 5 A E H > S+ 0 0 90 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.878 113.7 52.1 -68.2 -38.8 39.6 -19.0 12.2 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.952 112.8 43.6 -62.3 -51.6 38.9 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.807 108.5 57.7 -66.3 -30.4 39.3 -13.6 10.9 8 8 A R H X S+ 0 0 96 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.889 106.4 49.2 -74.0 -23.8 42.3 -14.7 12.7 9 9 A I H < S+ 0 0 59 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.918 116.4 43.5 -70.6 -45.3 44.0 -15.5 9.4 10 10 A D H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.792 125.0 30.3 -75.0 -29.7 43.0 -12.1 8.0 11 11 A E H < S- 0 0 35 -4,-2.1 19,-0.3 -5,-0.2 -1,-0.2 0.752 90.8-153.0-102.7 -33.4 43.8 -10.0 11.1 12 12 A G < - 0 0 18 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.173 24.2 -84.5 81.7-177.5 46.7 -11.8 12.8 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.985 43.2 171.0-133.0 119.9 47.6 -11.7 16.5 14 14 A R E -A 28 0A 124 14,-1.3 14,-2.5 -2,-0.4 4,-0.1 -0.996 18.6-165.5-131.9 126.0 49.7 -8.9 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.450 73.2 63.6 -91.8 0.0 50.1 -8.5 21.9 16 16 A K E S-C 57 0B 122 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.909 101.0 -85.9-124.1 146.2 51.5 -5.0 21.8 17 17 A I E + 0 0 22 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.263 59.4 171.3 -51.5 135.5 49.8 -1.8 20.6 18 18 A Y E -A 26 0A 33 8,-2.8 8,-3.1 -4,-0.1 2,-0.4 -0.869 32.2-100.1-140.3 170.3 50.3 -1.5 16.8 19 19 A K E -A 25 0A 131 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.873 33.1-123.1-101.2 137.7 49.1 0.6 13.8 20 20 A D > - 0 0 57 4,-2.6 3,-1.4 -2,-0.4 -1,-0.1 0.039 36.8 -99.5 -44.0 169.0 46.4 -0.5 11.2 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.792 134.8 55.3 -66.3 -24.4 47.0 -0.7 7.6 22 22 A E T 3 S- 0 0 88 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.480 125.8-105.7 -85.5 -6.0 45.3 2.6 8.1 23 23 A G S < S+ 0 0 36 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.484 74.8 140.6 89.9 7.4 47.8 4.0 10.6 24 24 A Y - 0 0 73 1,-0.1 -4,-2.6 -5,-0.0 2,-0.3 -0.613 60.3-104.2 -91.5 148.6 45.3 3.4 13.5 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-3.2 11,-0.3 9,-1.3 -0.504 53.9 159.4 -65.7 125.0 46.2 2.2 16.9 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.8 -2,-0.3 2,-0.3 -0.874 19.7-170.2-142.6 163.3 45.1 -1.5 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.8 -2,-0.3 -12,-0.2 -0.990 52.1 4.5-151.8 161.4 45.8 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.3 -2,-0.3 2,-1.0 -0.402 123.1 -6.9 75.6-134.8 45.0 -8.2 19.6 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.672 127.6 -52.6-100.7 73.7 43.1 -9.6 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.747 83.7 159.3 65.8 29.4 42.2 -6.4 14.8 31 31 A H E < -B 27 0A 35 -4,-1.8 -4,-1.6 32,-0.0 -1,-0.2 -0.684 33.5-144.5 -84.3 100.1 40.7 -4.6 17.7 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.348 18.6-176.5 -62.0 130.4 40.8 -0.9 16.8 33 33 A L E - 0 0 15 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.875 59.3 -18.8 -94.2 -50.0 41.5 1.2 19.9 34 34 A T E -B 25 0A 26 -9,-1.3 -9,-0.8 2,-0.1 -1,-0.4 -0.999 36.7-141.9-155.1 152.2 41.3 4.8 18.6 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.477 75.3 109.7 -92.2 -3.9 41.5 6.8 15.4 36 36 A S S S- 0 0 37 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.449 75.1-127.6 -71.8 142.9 43.4 9.4 17.3 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.572 76.4 99.0 -74.1 -7.7 47.1 10.1 16.8 38 38 A S > - 0 0 55 1,-0.2 4,-1.9 -13,-0.0 3,-0.3 -0.732 57.4-157.2 -92.8 128.7 48.2 9.8 20.4 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.0 1,-0.3 -1,-0.2 0.733 100.5 59.3 -61.1 -26.1 49.7 6.6 21.7 40 40 A N H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.931 101.4 49.2 -76.5 -39.2 48.5 8.0 25.0 41 41 A A H > S+ 0 0 34 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.894 113.1 50.9 -59.5 -35.5 44.9 8.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.891 107.1 51.3 -69.8 -44.5 45.3 4.5 22.8 43 43 A K H X S+ 0 0 46 -4,-2.0 4,-2.0 2,-0.2 11,-0.2 0.871 109.6 51.5 -61.3 -36.8 46.8 3.4 26.0 44 44 A S H X S+ 0 0 71 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.902 110.0 47.6 -68.8 -40.5 43.9 4.9 27.8 45 45 A E H X S+ 0 0 65 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.921 109.3 56.1 -65.7 -42.6 41.4 3.2 25.7 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.934 108.1 44.6 -54.5 -50.1 43.2 -0.1 26.1 47 47 A D H X>S+ 0 0 37 -4,-2.0 4,-2.2 1,-0.2 5,-0.8 0.831 113.0 52.7 -65.3 -36.1 43.1 -0.0 29.9 48 48 A K H <5S+ 0 0 146 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.893 110.7 48.5 -61.3 -43.2 39.4 1.0 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 122.0 32.0 -67.2 -35.1 38.8 -2.0 27.4 50 50 A I H <5S- 0 0 38 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.712 100.4-125.5 -98.1 -32.8 40.6 -4.6 29.6 51 51 A G T <5S+ 0 0 67 -4,-2.2 2,-0.3 1,-0.4 -3,-0.2 0.770 77.5 73.7 89.8 26.6 40.0 -3.2 33.1 52 52 A R S - 0 0 3 -2,-0.9 3,-1.4 -11,-0.2 -1,-0.2 0.725 30.9-145.3 -97.6 -24.7 48.2 -2.7 30.7 55 55 A N T 3 S- 0 0 123 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.856 75.4 -54.2 60.2 39.8 51.0 -0.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.511 119.8 95.7 77.0 6.2 50.3 -1.1 26.1 57 57 A V B < -C 16 0B 60 -3,-1.4 2,-0.2 -41,-0.2 -41,-0.2 -0.984 46.3-178.0-136.6 138.9 50.5 -4.9 26.4 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.782 25.9-110.6-124.6 167.7 48.0 -7.7 26.8 59 59 A T > - 0 0 67 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.503 34.2-107.5 -89.5 165.5 47.9 -11.5 27.2 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 121.7 57.3 -56.9 -48.4 46.7 -14.0 24.6 61 61 A D H > S+ 0 0 112 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.868 106.6 46.1 -43.1 -52.5 43.7 -14.5 26.9 62 62 A E H > S+ 0 0 33 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 110.3 55.1 -68.2 -38.7 42.8 -10.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -34,-0.4 0.876 108.9 46.4 -61.0 -43.2 43.2 -10.7 23.1 64 64 A E H X S+ 0 0 83 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.778 108.8 56.6 -72.3 -28.3 40.8 -13.6 22.6 65 65 A K H X S+ 0 0 120 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.961 109.0 45.1 -65.8 -46.6 38.3 -12.0 25.0 66 66 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.874 112.3 54.7 -60.1 -39.8 38.2 -8.8 22.9 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.937 105.4 50.1 -63.4 -47.1 37.9 -11.0 19.8 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.944 113.1 48.2 -57.1 -41.6 34.9 -12.9 21.1 69 69 A Q H X S+ 0 0 99 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 110.8 50.0 -63.5 -41.9 33.3 -9.5 21.9 70 70 A D H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 111.8 46.8 -67.4 -40.9 34.0 -8.0 18.5 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.957 112.9 49.7 -64.8 -48.5 32.6 -11.0 16.6 72 72 A D H X S+ 0 0 81 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.945 112.0 48.6 -54.9 -46.5 29.5 -11.1 18.7 73 73 A A H X S+ 0 0 43 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.881 109.0 53.1 -64.6 -37.8 29.0 -7.3 18.2 74 74 A A H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.945 111.0 45.4 -61.4 -49.8 29.5 -7.7 14.4 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 114.5 49.3 -59.6 -43.7 26.8 -10.4 14.1 76 76 A R H X S+ 0 0 129 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.844 109.2 52.3 -67.1 -33.5 24.4 -8.3 16.3 77 77 A G H X S+ 0 0 3 -4,-2.4 4,-0.8 -5,-0.2 3,-0.3 0.921 107.8 50.1 -68.1 -46.2 25.0 -5.3 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 7,-0.4 0.929 111.2 50.7 -49.8 -47.6 24.2 -7.1 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.718 112.6 45.9 -70.4 -23.0 21.0 -8.4 12.7 80 80 A R H 3< S+ 0 0 182 -4,-1.3 2,-0.5 -3,-0.3 -1,-0.3 0.455 93.2 96.7 -94.6 -12.2 19.9 -4.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.2 0.847 100.9 67.1 -86.3 -40.4 22.2 -5.8 6.3 85 85 A K H X S+ 0 0 76 -4,-2.8 4,-2.7 -7,-0.4 5,-0.2 0.862 98.5 50.8 -51.4 -50.6 19.8 -8.2 7.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.871 112.6 46.9 -59.9 -39.1 17.9 -9.1 4.7 87 87 A V H > S+ 0 0 3 -4,-0.5 4,-1.1 -3,-0.2 3,-0.3 0.969 112.4 49.9 -66.3 -48.6 21.1 -10.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.926 110.3 49.9 -52.7 -50.8 22.4 -12.0 5.8 89 89 A D H 3< S+ 0 0 78 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.808 108.3 54.2 -60.5 -33.1 19.2 -14.0 6.1 90 90 A S H 3< S+ 0 0 33 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.677 96.4 87.4 -76.5 -17.8 19.3 -14.7 2.4 91 91 A L S << S- 0 0 6 -4,-1.1 31,-0.0 -3,-0.9 2,-0.0 -0.490 75.2-117.2 -88.5 156.9 22.8 -16.2 2.4 92 92 A D > - 0 0 55 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.178 43.9 -91.8 -78.0 174.4 24.2 -19.7 3.1 93 93 A A H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.840 122.3 45.9 -62.5 -42.2 26.5 -20.4 6.0 94 94 A V H > S+ 0 0 28 62,-0.2 4,-1.1 2,-0.2 3,-0.5 0.945 114.0 47.4 -66.4 -48.6 29.9 -19.8 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.854 103.9 62.8 -63.7 -32.0 28.8 -16.6 2.6 96 96 A R H X S+ 0 0 80 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.914 100.1 54.5 -56.6 -40.7 27.4 -15.4 5.9 97 97 A C H X S+ 0 0 17 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.2 0.842 103.7 55.1 -58.6 -38.7 31.0 -15.6 7.2 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.883 108.9 47.0 -65.3 -36.3 32.2 -13.3 4.3 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.918 110.3 52.4 -70.8 -39.7 29.7 -10.6 5.2 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.915 107.1 53.9 -59.9 -39.9 30.7 -10.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.946 108.5 48.6 -60.0 -49.2 34.4 -10.4 7.9 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.898 111.2 49.8 -57.5 -46.6 33.6 -7.2 6.0 103 103 A V H X S+ 0 0 8 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.940 109.5 51.3 -59.1 -45.4 31.5 -5.8 8.9 104 104 A F H < S+ 0 0 34 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 116.7 40.8 -55.9 -44.8 34.4 -6.6 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.918 134.0 16.2 -72.5 -47.9 37.0 -4.7 9.0 106 106 A M H X S- 0 0 56 -4,-3.1 4,-0.7 -5,-0.2 -3,-0.2 0.533 102.2-115.0-114.3 -2.7 34.9 -1.8 8.0 107 107 A G H X - 0 0 30 -4,-3.0 4,-2.0 -5,-0.4 5,-0.2 0.198 35.8 -78.2 81.4 155.6 31.9 -1.4 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.853 129.3 51.8 -51.1 -51.3 28.1 -1.7 9.7 109 109 A T H > S+ 0 0 115 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.944 107.3 49.9 -58.3 -50.8 28.0 1.6 8.2 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-0.7 1,-0.2 -2,-0.2 0.901 115.3 43.1 -56.0 -48.1 30.8 1.1 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.8 1,-0.2 -1,-0.2 0.905 105.2 61.1 -68.1 -41.7 29.3 -2.2 4.4 112 112 A A H 3< S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.703 95.8 67.6 -60.2 -16.4 25.8 -0.9 4.3 113 113 A G T << S+ 0 0 54 -4,-0.9 2,-1.2 -3,-0.7 -1,-0.3 0.594 75.7 83.8 -74.3 -16.0 27.3 1.6 1.8 114 114 A F X> + 0 0 40 -3,-2.8 4,-2.2 1,-0.2 3,-0.6 -0.243 57.1 157.8 -86.2 55.9 27.9 -1.2 -0.8 115 115 A T H 3> + 0 0 90 -2,-1.2 4,-1.7 1,-0.3 -1,-0.2 0.801 66.4 46.0 -46.1 -54.5 24.3 -0.9 -2.0 116 116 A N H 3> S+ 0 0 88 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.855 114.1 46.9 -64.9 -41.9 24.8 -2.4 -5.5 117 117 A S H <> S+ 0 0 1 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.842 110.0 53.9 -67.0 -39.1 26.8 -5.4 -4.3 118 118 A L H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 108.4 50.4 -58.4 -44.4 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 116 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.952 111.8 46.9 -60.1 -48.8 21.6 -6.2 -4.1 120 120 A M H <>S+ 0 0 28 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.874 110.4 51.9 -63.5 -40.0 23.5 -8.6 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.932 108.8 51.8 -66.1 -42.1 24.4 -10.9 -3.4 122 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.886 109.5 49.6 -58.9 -35.6 20.7 -11.0 -2.4 123 123 A Q T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.434 114.1-121.0 -80.1 -5.4 19.9 -12.0 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.7 2,-1.2 -4,-0.3 -3,-0.2 0.778 62.2 147.1 66.2 34.4 22.5 -14.7 -5.9 125 125 A R >< + 0 0 128 -5,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.691 18.6 171.3 -99.2 75.7 24.4 -13.2 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.874 69.2 46.2 -58.2 -48.4 27.8 -14.3 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 115.2 47.6 -65.5 -41.4 30.0 -13.5 -10.4 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.878 111.1 50.2 -64.3 -43.1 28.5 -10.0 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.857 106.8 55.1 -64.3 -38.6 28.7 -9.2 -7.3 130 130 A A H X S+ 0 0 10 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.891 109.3 47.5 -62.2 -41.6 32.5 -10.2 -7.2 131 131 A V H < S+ 0 0 93 -4,-1.8 4,-0.4 1,-0.2 3,-0.4 0.946 113.9 47.3 -63.1 -46.0 33.3 -7.8 -10.0 132 132 A N H >< S+ 0 0 46 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.848 107.9 54.9 -64.8 -38.8 31.3 -5.0 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.3 1,-0.2 -1,-0.2 0.819 102.0 59.5 -61.8 -34.5 32.9 -5.5 -4.8 134 134 A A T 3< S+ 0 0 27 -4,-1.0 2,-1.5 -3,-0.4 -1,-0.2 0.651 86.0 79.0 -73.3 -15.6 36.4 -5.1 -6.4 135 135 A K S < S+ 0 0 147 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 -0.507 81.9 95.5 -87.8 62.5 35.5 -1.7 -7.6 136 136 A S S > S- 0 0 20 -2,-1.5 4,-1.9 1,-0.1 5,-0.1 -0.985 85.2-114.3-150.5 159.1 36.2 -0.1 -4.2 137 137 A R H > S+ 0 0 137 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 116.3 62.7 -57.9 -43.1 38.7 1.6 -2.0 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.894 105.7 42.8 -49.8 -48.8 38.6 -1.5 0.2 139 139 A Y H 4 S+ 0 0 61 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.4 48.3 -71.3 -42.1 39.9 -3.7 -2.7 140 140 A N H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.864 115.9 43.6 -65.5 -35.4 42.6 -1.2 -3.8 141 141 A Q H < S+ 0 0 101 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.840 132.7 17.4 -80.0 -38.5 43.9 -0.6 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 -0.526 73.6 162.9-135.6 69.8 43.9 -4.3 1.0 143 143 A P H > + 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.818 69.9 51.3 -60.5 -42.5 43.7 -6.4 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.932 116.5 40.3 -66.2 -43.0 44.9 -9.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.933 115.5 51.1 -65.9 -50.6 42.4 -9.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 -8,-0.2 5,-0.3 0.932 109.8 52.3 -55.9 -43.1 39.6 -8.3 -0.2 147 147 A K H X S+ 0 0 82 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.904 106.7 51.7 -66.3 -28.9 40.3 -11.0 -2.8 148 148 A R H X S+ 0 0 48 -4,-1.5 4,-1.6 2,-0.2 12,-0.2 0.924 114.0 43.6 -64.6 -47.1 40.0 -13.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 113.0 52.4 -65.5 -44.1 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 10 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.882 107.7 50.3 -58.8 -43.9 35.5 -11.9 -2.6 151 151 A T H X S+ 0 0 32 -4,-1.9 4,-2.7 -5,-0.3 6,-0.4 0.858 107.5 56.5 -61.6 -37.6 36.4 -15.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.932 111.0 41.8 -61.9 -43.0 34.4 -16.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 115.9 51.2 -70.5 -41.6 31.3 -14.8 -1.9 154 154 A R H < S+ 0 0 89 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.8 22.9 -59.6 -46.5 31.9 -16.0 -5.4 155 155 A T H < S- 0 0 56 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.659 84.8-136.0 -98.8 -28.3 32.3 -19.7 -4.6 156 156 A G S < S+ 0 0 19 -4,-2.5 2,-0.2 -5,-0.4 -62,-0.2 0.703 74.0 101.5 74.4 14.7 30.5 -20.3 -1.4 157 157 A S S S- 0 0 30 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.765 80.5-117.3-127.1 174.8 33.5 -22.4 -0.3 158 158 A W S > S+ 0 0 37 -2,-0.2 3,-1.6 1,-0.2 4,-0.4 0.168 72.0 118.7 -99.3 18.2 36.6 -22.0 1.9 159 159 A D T >> + 0 0 91 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.752 66.5 60.5 -53.7 -37.0 39.2 -22.4 -0.8 160 160 A A H 3> S+ 0 0 14 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.700 109.2 45.9 -65.6 -19.5 40.8 -18.9 -0.4 161 161 A Y H <4 S+ 0 0 4 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.364 95.8 74.6-103.4 -5.4 41.7 -19.8 3.1 162 162 A K H <4 S+ 0 0 133 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.1 0.710 96.2 50.2 -73.1 -41.8 43.0 -23.4 2.4 163 163 A N H < 0 0 125 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.978 360.0 360.0 -57.3 -63.8 46.1 -22.0 1.0 164 164 A L < 0 0 111 -4,-0.6 -1,-0.3 0, 0.0 -2,-0.1 0.001 360.0 360.0 -59.7 360.0 46.5 -19.8 4.1