==== 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 1L04 . 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 1 2 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,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.7 36.8 -23.5 9.0 2 2 A N > - 0 0 73 95,-0.0 4,-2.5 1,-0.0 3,-0.2 -0.873 360.0 -86.0-139.9 176.8 34.7 -21.0 11.0 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.844 123.2 51.4 -55.5 -41.6 34.3 -17.2 11.4 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.918 112.9 44.0 -66.9 -39.7 36.9 -17.0 14.2 5 5 A E H > S+ 0 0 90 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.872 113.4 51.7 -72.7 -36.9 39.6 -18.9 12.2 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.961 114.1 42.3 -62.9 -52.7 38.8 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.4 0.830 109.1 58.1 -63.0 -33.6 39.2 -13.6 10.9 8 8 A R H X S+ 0 0 93 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.902 106.7 49.0 -67.0 -30.0 42.2 -14.7 12.8 9 9 A I H < S+ 0 0 59 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.931 116.3 44.1 -70.3 -45.2 43.9 -15.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.792 124.7 29.5 -71.2 -33.5 42.9 -12.0 8.1 11 11 A E H < S- 0 0 36 -4,-2.2 19,-0.3 -5,-0.2 -1,-0.2 0.720 91.2-153.1 -99.3 -35.0 43.7 -9.9 11.1 12 12 A G < - 0 0 19 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.269 23.5 -84.4 84.3-173.6 46.6 -11.7 12.8 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.969 43.3 168.8-140.0 121.5 47.5 -11.6 16.5 14 14 A R E -A 28 0A 125 14,-1.0 14,-2.3 -2,-0.4 4,-0.1 -0.995 19.2-164.9-134.2 125.1 49.6 -8.9 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.449 73.2 65.8 -92.6 -1.5 49.9 -8.6 21.9 16 16 A K E S-C 57 0B 122 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.911 100.9 -87.0-119.0 144.3 51.4 -5.0 21.8 17 17 A I E + 0 0 23 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.229 59.9 171.5 -50.9 136.0 49.6 -1.8 20.6 18 18 A Y E -A 26 0A 33 8,-3.1 8,-3.5 -4,-0.1 2,-0.4 -0.879 32.6 -99.8-139.7 172.1 50.2 -1.5 16.8 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.2 6,-0.3 5,-0.1 -0.883 33.3-124.9-101.6 134.9 49.1 0.6 13.8 20 20 A D > - 0 0 56 4,-2.5 3,-1.7 -2,-0.4 -1,-0.1 0.017 37.5 -97.5 -47.3 171.2 46.3 -0.5 11.2 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.796 134.2 55.0 -66.0 -26.6 46.8 -0.7 7.6 22 22 A E T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.458 126.0-104.4 -83.2 -1.1 45.2 2.6 8.1 23 23 A G S < S+ 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.465 75.2 142.1 83.9 8.1 47.6 3.9 10.5 24 24 A Y - 0 0 72 1,-0.1 -4,-2.5 -5,-0.1 2,-0.4 -0.589 58.8-104.7 -90.3 149.3 45.2 3.4 13.4 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-3.3 11,-0.3 9,-1.4 -0.459 53.5 158.7 -65.7 123.1 46.1 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-3.5 -8,-3.1 -2,-0.4 2,-0.3 -0.849 21.2-166.6-138.8 164.3 45.0 -1.4 17.4 27 27 A I E > - B 0 31A 0 4,-1.6 4,-1.9 -2,-0.3 -12,-0.2 -0.982 52.7 -0.5-148.8 161.0 45.7 -4.4 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 2,-1.0 -2,-0.3 -14,-1.0 -0.346 122.9 -3.3 70.6-130.7 45.0 -8.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.606 127.8 -55.2-101.2 71.8 43.0 -9.6 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.767 82.3 160.5 64.2 32.8 42.2 -6.5 14.8 31 31 A H E < -B 27 0A 36 -4,-1.9 -4,-1.6 1,-0.0 -1,-0.2 -0.710 33.8-142.2 -86.2 102.7 40.6 -4.6 17.8 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.380 19.4-176.7 -61.1 125.5 40.7 -0.9 16.8 33 33 A L E - 0 0 15 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.880 60.4 -24.4 -91.9 -49.3 41.4 1.2 19.9 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.993 37.0-138.8-156.3 157.5 41.2 4.7 18.6 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.435 74.4 110.4 -96.5 -3.4 41.5 6.7 15.4 36 36 A S S S- 0 0 38 2,-0.1 -11,-0.3 1,-0.1 -2,-0.1 -0.439 74.6-126.2 -68.9 144.7 43.4 9.5 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.636 77.6 96.4 -73.6 -13.9 47.0 10.1 16.7 38 38 A S > - 0 0 55 1,-0.2 4,-1.6 -13,-0.0 3,-0.4 -0.706 59.1-154.7 -91.6 131.7 48.2 9.8 20.3 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.684 100.1 61.6 -60.9 -23.8 49.5 6.7 21.7 40 40 A N H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.958 99.8 49.1 -76.3 -39.8 48.4 8.0 24.9 41 41 A A H > S+ 0 0 32 -3,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.861 112.9 52.6 -56.6 -38.0 44.7 8.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.917 105.9 51.3 -66.8 -44.2 45.2 4.5 22.7 43 43 A K H X S+ 0 0 48 -4,-2.1 4,-2.3 1,-0.2 11,-0.2 0.864 109.9 50.6 -61.3 -37.3 46.7 3.4 26.0 44 44 A S H X S+ 0 0 70 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.874 109.4 48.2 -70.7 -40.7 43.8 4.8 27.8 45 45 A E H X S+ 0 0 65 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.929 110.1 56.3 -65.4 -42.8 41.3 3.2 25.6 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.948 107.9 43.7 -53.9 -54.1 43.2 -0.0 26.1 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-1.7 1,-0.2 5,-0.8 0.800 113.2 53.5 -64.6 -30.4 43.0 0.0 29.9 48 48 A K H <5S+ 0 0 143 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.902 110.6 48.1 -67.7 -39.5 39.4 1.0 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.841 120.9 34.2 -71.5 -31.5 38.7 -2.0 27.4 50 50 A I H <5S- 0 0 39 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.727 99.7-125.6 -98.2 -30.5 40.5 -4.5 29.6 51 51 A G T <5S+ 0 0 69 -4,-1.7 2,-0.3 1,-0.4 -3,-0.2 0.751 78.2 72.5 87.5 24.5 39.8 -3.2 33.1 52 52 A R S - 0 0 4 -2,-0.8 3,-2.0 -11,-0.2 -1,-0.1 0.634 33.7-142.6-100.8 -17.6 48.1 -2.7 30.8 55 55 A N T 3 S- 0 0 125 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.852 75.8 -55.0 54.8 41.2 50.9 -0.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.561 120.0 101.0 71.5 9.8 50.1 -1.1 26.1 57 57 A V B < -C 16 0B 62 -3,-2.0 2,-0.2 -41,-0.2 -41,-0.2 -0.979 45.5-179.0-132.2 139.2 50.5 -4.8 26.5 58 58 A I - 0 0 5 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.827 25.0-112.7-126.2 165.5 47.9 -7.6 26.8 59 59 A T > - 0 0 66 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.426 33.8-107.4 -89.7 168.5 47.8 -11.5 27.2 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 121.9 55.2 -59.8 -47.2 46.6 -14.0 24.6 61 61 A D H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.845 106.6 47.4 -47.3 -49.1 43.6 -14.5 26.8 62 62 A E H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 110.4 54.8 -67.9 -40.1 42.7 -10.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -34,-0.4 0.906 109.2 46.1 -60.1 -46.6 43.1 -10.7 23.1 64 64 A E H X S+ 0 0 80 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.787 108.8 55.8 -70.3 -27.9 40.7 -13.6 22.6 65 65 A K H X S+ 0 0 119 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.962 108.9 46.5 -65.0 -47.1 38.2 -12.1 25.0 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.847 111.6 54.2 -57.7 -36.5 38.2 -8.9 23.0 67 67 A F H X S+ 0 0 13 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.945 104.7 52.2 -68.4 -43.2 37.8 -11.0 19.9 68 68 A N H X S+ 0 0 88 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.950 112.4 46.6 -54.7 -47.6 34.8 -12.8 21.2 69 69 A Q H X S+ 0 0 96 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.869 111.1 51.4 -59.6 -45.8 33.2 -9.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.895 111.1 45.9 -60.7 -45.8 34.0 -8.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.949 113.6 50.2 -61.8 -51.7 32.6 -11.0 16.6 72 72 A D H X S+ 0 0 80 -4,-2.3 4,-2.2 -5,-0.3 5,-0.3 0.925 112.0 48.3 -50.9 -46.5 29.4 -11.0 18.8 73 73 A A H X S+ 0 0 45 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.880 108.8 53.2 -67.3 -35.9 29.0 -7.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.952 111.9 44.4 -63.3 -50.9 29.5 -7.7 14.4 75 75 A V H X S+ 0 0 33 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 114.8 49.5 -57.2 -45.0 26.8 -10.3 14.1 76 76 A R H X S+ 0 0 130 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.880 109.8 52.3 -67.7 -33.3 24.4 -8.3 16.3 77 77 A G H X S+ 0 0 3 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.914 108.1 48.6 -69.1 -42.3 25.0 -5.3 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.7 2,-0.2 7,-0.4 0.933 110.8 53.5 -56.5 -44.8 24.2 -7.1 11.1 79 79 A L H 3< S+ 0 0 68 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.797 111.3 45.2 -62.7 -30.7 21.0 -8.4 12.7 80 80 A R H 3< S+ 0 0 183 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.3 0.508 93.1 96.5 -88.7 -15.2 19.9 -4.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.840 101.5 66.9 -86.6 -39.8 22.2 -5.8 6.3 85 85 A K H X S+ 0 0 78 -4,-2.9 4,-3.0 -7,-0.4 5,-0.2 0.898 98.1 52.0 -51.3 -51.1 19.8 -8.2 7.9 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.887 112.6 46.1 -57.9 -38.4 17.9 -9.1 4.7 87 87 A V H > S+ 0 0 4 -4,-0.5 4,-1.1 -3,-0.3 3,-0.4 0.955 112.7 50.0 -69.2 -44.5 21.1 -9.9 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.933 109.9 51.0 -58.3 -46.4 22.4 -12.0 5.8 89 89 A D H 3< S+ 0 0 78 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.792 107.7 53.6 -60.7 -30.9 19.2 -13.9 6.1 90 90 A S H 3< S+ 0 0 33 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.683 96.5 88.7 -80.1 -19.8 19.3 -14.7 2.4 91 91 A L S << S- 0 0 6 -4,-1.1 31,-0.0 -3,-1.0 30,-0.0 -0.505 74.9-117.9 -86.0 156.8 22.8 -16.2 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.150 44.4 -91.7 -74.2 171.1 24.2 -19.7 3.1 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.853 122.9 46.3 -61.0 -41.3 26.5 -20.4 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.2 2,-0.2 3,-0.4 0.937 113.5 46.9 -66.7 -53.2 29.8 -19.8 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.871 104.6 62.2 -61.0 -31.9 28.7 -16.6 2.6 96 96 A R H X S+ 0 0 75 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.930 100.3 55.2 -57.6 -41.0 27.4 -15.3 5.9 97 97 A C H X S+ 0 0 17 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.866 103.3 54.1 -54.9 -42.8 30.9 -15.6 7.1 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.854 109.6 47.6 -63.6 -35.4 32.2 -13.3 4.3 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.937 109.6 52.9 -70.7 -43.5 29.7 -10.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.910 107.1 52.8 -58.1 -39.0 30.6 -10.8 8.8 101 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.920 108.8 49.8 -64.9 -44.8 34.3 -10.4 7.9 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.899 111.2 49.3 -59.2 -42.3 33.5 -7.2 5.9 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.917 109.7 50.6 -61.0 -45.1 31.5 -5.8 8.9 104 104 A F H < S+ 0 0 33 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.906 117.0 41.4 -59.7 -43.6 34.3 -6.6 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 133.7 16.2 -72.6 -48.7 36.9 -4.7 9.0 106 106 A M H X S- 0 0 56 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.567 102.1-115.4-113.6 -0.8 34.9 -1.8 8.0 107 107 A G H X - 0 0 30 -4,-2.7 4,-1.9 -5,-0.3 5,-0.2 0.217 36.8 -77.3 80.8 157.1 31.8 -1.4 10.3 108 108 A E H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.814 129.0 51.4 -49.9 -48.3 28.1 -1.7 9.7 109 109 A T H > S+ 0 0 118 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.956 106.4 51.2 -64.1 -50.3 28.0 1.6 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.900 115.0 41.9 -54.9 -49.5 30.7 1.1 5.7 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-3.1 1,-0.2 -1,-0.2 0.911 105.2 63.1 -69.0 -39.0 29.3 -2.2 4.3 112 112 A A H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.700 95.5 64.2 -61.5 -14.6 25.7 -0.9 4.2 113 113 A G T << S+ 0 0 54 -4,-0.9 2,-1.2 -3,-0.7 -1,-0.3 0.503 75.1 87.4 -84.3 -5.8 27.0 1.6 1.7 114 114 A F <> + 0 0 41 -3,-3.1 4,-2.2 1,-0.2 3,-0.4 -0.263 57.1 158.6 -85.5 53.9 27.9 -1.2 -0.8 115 115 A T H > + 0 0 85 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.844 65.0 45.3 -41.9 -56.8 24.3 -0.8 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.854 114.7 46.5 -66.6 -37.2 24.7 -2.4 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.840 109.7 54.6 -70.6 -37.3 26.8 -5.4 -4.4 118 118 A L H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.939 107.9 50.9 -60.1 -46.1 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 117 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.943 111.2 46.8 -55.2 -53.2 21.6 -6.2 -4.1 120 120 A M H X>S+ 0 0 27 -4,-1.9 5,-2.4 1,-0.2 4,-0.6 0.890 110.0 53.7 -61.4 -38.0 23.5 -8.6 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.6 2,-0.2 -2,-0.2 0.947 107.6 50.6 -63.5 -43.3 24.3 -10.8 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.875 110.3 50.7 -61.4 -34.9 20.6 -11.0 -2.4 123 123 A Q H 3<5S- 0 0 98 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.498 112.4-121.5 -76.3 -10.3 19.9 -12.0 -5.9 124 124 A K T <<5 + 0 0 99 -3,-1.6 2,-1.2 -4,-0.6 -3,-0.2 0.762 62.7 144.9 67.9 34.5 22.5 -14.8 -5.9 125 125 A R >< + 0 0 127 -5,-2.4 4,-2.6 1,-0.2 -1,-0.2 -0.721 20.0 171.1-100.9 77.2 24.4 -13.3 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.894 69.2 46.8 -57.6 -48.4 27.8 -14.3 -7.4 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 114.4 48.0 -66.3 -42.2 30.0 -13.5 -10.4 128 128 A E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.881 111.1 49.9 -64.0 -45.1 28.4 -10.1 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.825 107.3 54.7 -62.6 -34.3 28.7 -9.1 -7.3 130 130 A A H X S+ 0 0 11 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.882 108.8 48.7 -64.1 -40.4 32.4 -10.2 -7.1 131 131 A V H < S+ 0 0 93 -4,-1.6 3,-0.5 1,-0.2 4,-0.4 0.961 114.3 45.7 -64.1 -46.2 33.1 -7.9 -10.0 132 132 A N H >< S+ 0 0 48 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.845 107.9 55.5 -63.2 -44.2 31.2 -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 0.809 101.4 61.0 -59.3 -31.8 32.8 -5.5 -4.8 134 134 A A T 3< S+ 0 0 25 -4,-1.1 2,-1.6 -3,-0.5 -1,-0.2 0.679 85.7 78.6 -74.6 -14.7 36.3 -5.2 -6.5 135 135 A K S < S+ 0 0 147 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.2 -0.526 81.6 92.6 -91.7 68.7 35.5 -1.7 -7.6 136 136 A S S > S- 0 0 20 -2,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.986 85.6-111.7-155.9 159.8 36.2 -0.1 -4.3 137 137 A R H > S+ 0 0 137 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.918 116.0 63.4 -57.9 -46.5 38.7 1.6 -2.1 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.900 106.9 41.2 -43.3 -52.7 38.5 -1.5 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.0 49.2 -69.4 -42.0 39.9 -3.7 -2.7 140 140 A N H < S+ 0 0 113 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 116.3 42.1 -67.3 -34.2 42.5 -1.3 -3.8 141 141 A Q H < S+ 0 0 101 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.835 132.9 18.3 -81.9 -38.9 43.8 -0.7 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 -0.562 74.0 162.7-135.0 68.9 43.8 -4.3 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.792 68.8 52.1 -58.1 -43.3 43.7 -6.3 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.937 116.6 38.7 -65.8 -46.9 44.8 -9.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.949 115.7 52.6 -64.3 -49.7 42.3 -9.9 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 -8,-0.2 5,-0.2 0.937 109.8 51.4 -52.9 -40.3 39.5 -8.3 -0.2 147 147 A K H X S+ 0 0 81 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.894 107.2 51.3 -68.5 -31.5 40.2 -11.0 -2.8 148 148 A R H X S+ 0 0 50 -4,-1.5 4,-1.7 -3,-0.3 12,-0.2 0.926 114.1 44.2 -66.7 -45.4 39.9 -13.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.945 113.2 51.3 -67.4 -42.1 36.6 -12.5 0.9 150 150 A I H X S+ 0 0 9 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.885 107.7 51.3 -62.8 -41.5 35.4 -11.9 -2.6 151 151 A T H X S+ 0 0 33 -4,-2.1 4,-2.8 -5,-0.2 5,-0.4 0.843 106.3 57.0 -61.7 -36.5 36.3 -15.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.903 109.4 43.3 -62.3 -41.0 34.4 -16.7 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.830 115.7 50.8 -71.4 -36.2 31.2 -14.9 -1.9 154 154 A R H < S+ 0 0 89 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.944 124.4 24.2 -65.4 -48.3 31.9 -16.1 -5.4 155 155 A T H < S- 0 0 58 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.756 85.8-137.2 -96.0 -30.2 32.3 -19.8 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.4 -62,-0.2 0.655 73.6 88.1 82.1 9.0 30.5 -20.3 -1.4 157 157 A D S S- 0 0 77 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.804 84.0-105.0-136.5-178.9 33.3 -22.4 -0.0 158 158 A W S > S+ 0 0 25 -2,-0.2 3,-1.4 1,-0.2 4,-0.4 0.159 73.0 115.6 -97.8 18.0 36.6 -22.0 1.9 159 159 A D T >> + 0 0 89 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.749 68.6 63.2 -59.7 -30.9 39.3 -22.5 -0.6 160 160 A A H 3> S+ 0 0 15 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.710 110.1 44.4 -63.4 -19.7 40.7 -18.9 -0.4 161 161 A Y H <4 S+ 0 0 4 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.370 96.7 74.3-104.9 -3.1 41.6 -19.8 3.1 162 162 A K H <4 S+ 0 0 125 -3,-1.0 -2,-0.1 -4,-0.4 -1,-0.1 0.672 95.9 51.1 -77.1 -38.0 43.0 -23.3 2.5 163 163 A N H < 0 0 126 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.987 360.0 360.0 -59.7 -62.3 46.0 -21.9 1.1 164 164 A L < 0 0 111 -4,-0.6 -1,-0.2 0, 0.0 -2,-0.1 -0.034 360.0 360.0 -59.4 360.0 46.5 -19.7 4.1