==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-99 1QT7 . COMPND 2 MOLECULE: PROTEIN (T4 LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.KUROKI,L.H.WEAVER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8937.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 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 0 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.9 43.7 -1.8 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-3.0 95,-0.0 5,-0.2 -0.920 360.0 -80.4-155.6 174.5 40.4 -0.7 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.842 124.6 52.1 -51.9 -41.7 38.4 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.967 113.6 41.7 -63.8 -53.4 40.5 3.6 14.2 5 5 A E H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.889 114.9 54.0 -60.6 -39.9 43.7 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.951 111.8 41.4 -59.9 -53.0 42.1 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 5,-0.3 0.829 109.1 60.5 -69.8 -23.7 40.8 7.9 10.9 8 8 A R H X S+ 0 0 101 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.905 106.6 47.2 -66.8 -37.5 44.0 8.3 12.8 9 9 A I H < S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.922 115.6 45.2 -66.0 -42.9 45.8 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.746 124.6 30.9 -73.9 -25.9 43.2 11.1 8.1 11 11 A N H < S- 0 0 35 -4,-2.0 19,-0.4 -5,-0.2 -2,-0.2 0.712 88.3-151.6-108.1 -26.0 43.1 13.2 11.2 12 12 A G < - 0 0 24 -4,-2.4 2,-0.4 -5,-0.3 -1,-0.1 -0.162 27.7 -86.9 77.7 179.6 46.5 13.1 12.9 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.980 44.0 173.5-133.1 119.2 47.0 13.6 16.7 14 14 A R E -A 28 0A 147 14,-1.6 14,-2.5 -2,-0.4 4,-0.1 -0.999 17.8-164.6-129.9 127.3 47.3 17.1 18.2 15 15 A L E S+ 0 0 59 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.464 73.0 57.6 -88.4 -8.7 47.4 17.7 22.0 16 16 A K E S-C 57 0B 129 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.927 100.9 -87.1-122.0 152.2 46.8 21.5 21.9 17 17 A I E + 0 0 30 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.254 57.4 167.8 -55.0 138.6 43.8 23.2 20.5 18 18 A Y E -A 26 0A 33 8,-2.5 8,-3.1 6,-0.1 2,-0.5 -0.870 37.3 -99.7-145.2 171.7 44.4 24.0 16.8 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.828 33.0-142.7-100.3 134.2 42.4 25.2 13.8 20 20 A D > - 0 0 50 4,-2.7 3,-1.6 -2,-0.5 -1,-0.1 -0.113 44.0 -77.3 -79.9-168.5 41.2 22.6 11.3 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.749 133.8 49.0 -64.6 -22.8 41.0 23.2 7.6 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.364 122.7-103.5 -93.6 0.1 37.8 25.3 7.9 23 23 A G S < S+ 0 0 36 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.613 74.2 141.0 87.8 19.0 39.3 27.4 10.7 24 24 A Y - 0 0 76 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.772 59.6-103.4 -98.7 143.9 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.0 11,-0.4 9,-1.4 -0.431 52.8 162.2 -63.9 123.7 38.9 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.5 6,-0.3 2,-0.3 -0.884 17.6-169.5-139.0 164.4 39.7 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 -12,-0.2 -0.982 51.6 1.2-153.6 161.5 41.9 19.0 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.9 -0.430 122.2 -4.2 68.4-130.0 43.1 15.5 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.699 128.2 -53.5 -99.6 72.7 42.1 13.2 16.6 30 30 A G T 4 S+ 0 0 19 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.795 84.5 161.2 67.0 26.8 39.9 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.2 -4,-1.7 1,-0.0 -1,-0.2 -0.703 32.0-143.8 -86.9 105.7 37.6 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.401 19.3-177.3 -64.0 129.9 35.7 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.912 58.8 -25.7 -94.4 -49.3 35.3 21.7 19.7 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.991 35.3-136.0-160.9 154.4 33.3 24.6 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.464 76.1 113.4 -90.6 -2.7 32.6 26.5 15.2 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.448 71.2-135.4 -76.8 140.3 32.9 29.6 17.2 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.518 75.3 103.5 -70.2 -7.4 35.8 32.1 16.6 38 38 A S > - 0 0 46 1,-0.2 4,-2.0 -13,-0.0 5,-0.1 -0.738 56.6-161.2 -91.8 120.0 36.4 32.4 20.3 39 39 A L H > S+ 0 0 65 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.853 96.3 56.8 -60.8 -34.7 39.3 30.6 21.7 40 40 A N H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.938 104.2 49.3 -63.8 -46.5 37.6 31.0 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 112.7 49.5 -58.2 -37.3 34.6 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.899 109.9 51.2 -65.2 -43.0 36.9 26.5 22.6 43 43 A K H X S+ 0 0 65 -4,-3.0 4,-2.0 2,-0.2 11,-0.3 0.869 110.1 50.0 -60.3 -40.7 38.6 26.5 25.9 44 44 A S H X S+ 0 0 74 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.937 109.8 49.0 -67.2 -46.9 35.3 26.1 27.6 45 45 A E H X S+ 0 0 68 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.925 109.7 52.8 -61.4 -41.1 34.1 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.938 108.7 48.2 -60.7 -46.3 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.0 4,-2.8 1,-0.2 5,-1.2 0.912 113.7 48.6 -59.0 -42.3 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 142 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.879 112.8 47.6 -63.9 -41.6 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.874 120.8 37.0 -69.2 -36.8 34.4 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.701 100.9-128.7 -88.5 -28.8 37.4 16.5 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.778 77.4 78.5 83.9 22.9 35.9 17.2 32.9 52 52 A R S - 0 0 9 -2,-1.1 3,-0.9 -11,-0.3 -1,-0.2 0.779 32.5-140.7 -83.4 -30.6 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 128 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.814 72.9 -62.3 69.1 28.1 44.2 25.2 29.8 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.539 116.6 101.8 73.8 12.3 43.8 24.0 26.1 57 57 A V B < -C 16 0B 53 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.984 46.0-179.0-128.4 135.3 46.1 21.0 26.5 58 58 A I - 0 0 4 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.833 25.6-111.0-127.9 169.9 45.3 17.4 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.511 33.1-107.8 -92.3 165.9 47.1 14.1 27.3 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 120.8 53.6 -58.6 -44.4 47.3 11.2 24.8 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.900 108.7 48.1 -60.0 -42.4 45.0 9.2 26.9 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 110.2 52.8 -63.9 -39.9 42.4 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -34,-0.4 0.919 109.1 49.8 -61.8 -42.9 42.7 12.4 23.2 64 64 A E H X S+ 0 0 78 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.808 106.8 55.0 -67.3 -32.5 42.0 8.7 22.7 65 65 A K H X S+ 0 0 140 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.932 109.1 46.1 -67.2 -45.2 39.0 8.8 25.0 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.904 111.8 54.8 -62.1 -41.0 37.4 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.951 107.9 46.9 -59.6 -48.8 38.3 9.5 19.8 68 68 A N H X S+ 0 0 87 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.917 114.1 48.2 -59.2 -41.7 36.6 6.3 21.1 69 69 A Q H X S+ 0 0 98 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.907 111.6 50.3 -64.5 -40.9 33.5 8.4 22.0 70 70 A D H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.897 110.8 47.1 -65.8 -41.3 33.5 10.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.944 113.8 49.3 -64.9 -45.0 33.8 6.8 16.6 72 72 A D H X S+ 0 0 100 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.945 110.6 50.0 -57.4 -47.3 31.0 5.3 18.7 73 73 A A H X S+ 0 0 58 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.917 108.1 52.7 -57.9 -42.8 28.9 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.935 109.7 49.4 -60.2 -48.5 29.4 8.2 14.4 75 75 A V H X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.938 112.7 46.6 -56.7 -49.4 28.4 4.5 14.3 76 76 A R H X S+ 0 0 125 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.896 108.5 54.8 -63.5 -40.4 25.2 5.2 16.3 77 77 A G H X S+ 0 0 16 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.919 109.7 48.5 -59.7 -39.9 24.2 8.3 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.8 -5,-0.2 7,-0.4 0.975 111.4 49.0 -59.2 -53.8 24.4 6.1 11.0 79 79 A L H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.773 114.8 45.6 -59.9 -28.7 22.3 3.3 12.6 80 80 A R H 3< S+ 0 0 181 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.566 92.0 93.7 -89.4 -18.1 19.7 5.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 5,-0.3 0.859 99.9 68.2 -85.2 -42.3 22.1 6.1 6.2 85 85 A K H X S+ 0 0 85 -4,-2.5 4,-2.5 -7,-0.4 5,-0.2 0.872 98.9 48.7 -48.6 -49.2 21.2 2.8 7.8 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.874 112.3 49.8 -65.2 -36.1 20.1 1.0 4.6 87 87 A V H >> S+ 0 0 1 -4,-0.5 4,-0.9 2,-0.2 3,-0.5 0.974 112.0 46.7 -65.3 -49.8 23.2 2.0 2.8 88 88 A Y H >< S+ 0 0 33 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.907 110.3 52.9 -56.8 -44.3 25.5 0.9 5.7 89 89 A D H 3< S+ 0 0 72 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.808 106.1 54.5 -65.3 -28.5 23.7 -2.4 6.0 90 90 A S H << S+ 0 0 39 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.666 96.6 89.4 -79.8 -13.8 24.1 -3.1 2.3 91 91 A L S << S- 0 0 6 -4,-0.9 31,-0.0 -3,-0.8 30,-0.0 -0.549 74.8-117.9 -89.9 156.9 27.9 -2.7 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.157 44.9 -91.5 -74.3 172.0 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.876 122.2 46.8 -57.3 -45.0 33.2 -4.3 6.1 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.936 112.9 47.7 -67.5 -46.3 35.7 -2.1 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.832 104.7 61.2 -66.7 -27.2 33.2 0.1 2.6 96 96 A R H X S+ 0 0 76 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.932 101.8 53.5 -61.5 -40.1 31.3 0.5 5.9 97 97 A A H X S+ 0 0 8 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.891 104.2 54.7 -63.6 -36.8 34.5 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.892 108.6 49.2 -64.6 -34.0 34.5 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.921 109.6 50.6 -70.1 -40.9 31.0 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.925 107.1 56.1 -60.0 -42.2 31.9 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.943 108.0 46.7 -55.2 -49.2 34.9 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.3 1,-0.2 5,-0.3 0.911 112.6 50.0 -61.0 -42.3 32.7 10.6 6.0 103 103 A V H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.928 108.9 51.6 -62.6 -41.8 30.2 10.8 8.9 104 104 A F H < S+ 0 0 34 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.6 44.0 -59.2 -39.5 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 63 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.910 132.3 12.7 -72.8 -49.1 34.1 14.2 9.1 106 106 A M H X S- 0 0 55 -4,-3.3 4,-0.6 -5,-0.2 -3,-0.2 0.520 102.0-111.0-117.7 3.4 30.9 15.9 8.1 107 107 A G H X - 0 0 30 -4,-3.0 4,-2.2 -5,-0.3 5,-0.2 0.136 35.9 -80.9 84.9 157.1 28.2 14.7 10.3 108 108 A E H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.792 129.1 54.2 -64.5 -33.3 25.2 12.5 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.925 107.8 49.6 -68.3 -46.5 23.3 15.4 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.918 115.5 42.2 -58.0 -52.0 26.1 16.3 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.873 104.7 62.4 -65.8 -38.8 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 95.1 67.5 -58.8 -21.4 22.6 12.0 4.2 113 113 A G T << S+ 0 0 53 -4,-0.8 2,-1.6 -3,-0.6 3,-0.3 0.628 74.5 85.8 -71.3 -19.8 22.7 14.9 1.7 114 114 A F <> + 0 0 41 -3,-2.4 4,-2.5 1,-0.2 3,-0.3 -0.251 55.8 156.5 -80.1 49.7 24.7 12.8 -0.8 115 115 A T H > + 0 0 88 -2,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.849 66.3 44.9 -41.5 -56.4 21.5 11.3 -2.1 116 116 A N H > S+ 0 0 105 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.903 114.7 46.4 -61.2 -45.8 22.7 10.3 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.870 111.1 54.8 -64.3 -38.1 26.0 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.888 108.1 48.7 -59.9 -44.0 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 161 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.942 111.2 48.9 -64.6 -44.3 21.8 5.4 -4.0 120 120 A M H <>S+ 0 0 43 -4,-2.1 5,-2.6 2,-0.2 4,-0.4 0.867 111.6 50.3 -65.3 -34.4 24.7 4.4 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.940 107.8 52.8 -67.8 -44.3 26.5 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.882 109.7 49.4 -57.5 -34.8 23.4 1.0 -2.4 123 123 A Q T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.501 113.6-118.3 -82.2 -5.2 23.2 -0.4 -6.0 124 124 A K T < 5 + 0 0 104 -3,-1.6 2,-1.1 -4,-0.4 -3,-0.2 0.777 64.3 146.4 71.7 30.7 26.9 -1.5 -5.9 125 125 A R >< + 0 0 105 -5,-2.6 4,-2.3 1,-0.2 5,-0.2 -0.666 19.1 172.3-100.2 76.2 27.8 0.8 -8.7 126 126 A W H > + 0 0 49 -2,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.842 69.6 43.4 -52.6 -54.2 31.3 1.6 -7.5 127 127 A D H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 115.5 49.6 -63.7 -43.6 32.8 3.6 -10.4 128 128 A E H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 112.0 47.3 -64.5 -39.1 29.8 5.6 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.904 108.4 56.1 -67.4 -38.1 29.5 6.4 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.909 108.7 47.2 -59.5 -43.4 33.2 7.3 -7.1 131 131 A V H X S+ 0 0 89 -4,-2.2 4,-0.6 1,-0.2 3,-0.2 0.945 114.0 47.2 -64.5 -45.1 32.6 9.8 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.905 107.5 56.0 -63.3 -43.4 29.6 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.4 1,-0.2 -1,-0.2 0.843 101.3 59.1 -57.6 -35.7 31.3 11.6 -4.8 134 134 A A H 3< S+ 0 0 29 -4,-1.3 2,-1.9 -5,-0.2 -1,-0.2 0.705 85.7 79.9 -67.4 -22.9 34.1 13.7 -6.4 135 135 A K S << S+ 0 0 162 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.478 80.7 96.9 -86.5 70.0 31.6 16.4 -7.6 136 136 A S S > S- 0 0 16 -2,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.998 85.1-116.9-156.2 157.2 31.4 18.0 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.885 115.1 63.4 -60.5 -37.5 32.8 20.8 -2.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.940 105.9 41.9 -51.3 -51.3 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.5 50.5 -67.6 -39.5 36.4 16.7 -2.6 140 140 A N H < S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 115.2 42.0 -67.1 -33.9 37.4 20.2 -3.7 141 141 A Q H < S+ 0 0 102 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 132.3 19.2 -80.8 -42.0 38.3 21.4 -0.1 142 142 A T S X S+ 0 0 23 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.580 73.4 162.6-129.9 69.1 40.1 18.2 1.1 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.847 71.1 51.7 -59.3 -39.9 41.1 16.4 -2.1 144 144 A N H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.949 115.0 41.3 -66.3 -43.8 43.7 14.0 -0.6 145 145 A R H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.949 114.8 52.4 -65.4 -48.9 41.5 12.8 2.1 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.918 106.5 53.6 -53.4 -46.3 38.6 12.6 -0.2 147 147 A K H X S+ 0 0 98 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.880 107.2 51.6 -57.6 -39.7 40.5 10.5 -2.7 148 148 A R H X S+ 0 0 54 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.946 113.4 43.6 -63.9 -45.6 41.5 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.935 114.1 50.0 -63.8 -46.0 37.9 7.6 1.0 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.906 109.2 51.4 -58.2 -44.1 36.6 7.4 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.6 -5,-0.2 6,-0.3 0.850 106.7 55.7 -62.3 -35.7 39.2 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.918 110.4 44.1 -62.7 -44.1 38.1 2.8 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.905 115.1 48.9 -69.2 -39.5 34.5 2.8 -1.8 154 154 A R H < S+ 0 0 87 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.913 125.6 24.7 -67.1 -42.0 35.5 2.1 -5.4 155 155 A T H < S- 0 0 50 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.675 86.3-138.1 -97.4 -25.5 37.8 -0.9 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.724 71.7 99.2 71.2 19.9 36.5 -2.2 -1.3 157 157 A T S S- 0 0 44 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.818 82.1-116.1-129.9 171.3 40.2 -2.7 -0.1 158 158 A W S >> S+ 0 0 39 -2,-0.3 3,-1.6 1,-0.2 4,-1.0 0.088 73.0 122.2 -95.3 20.9 42.5 -0.6 2.1 159 159 A D G >4 + 0 0 96 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.857 66.2 58.8 -52.2 -39.9 45.0 0.1 -0.6 160 160 A A G 34 S+ 0 0 26 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.721 111.1 44.3 -63.6 -21.5 44.7 3.9 -0.3 161 161 A Y G X4 S+ 0 0 1 -3,-1.6 3,-1.0 -13,-0.1 2,-0.3 0.601 85.2 101.6-102.2 -13.1 45.8 3.6 3.3 162 162 A K T << S+ 0 0 96 -4,-1.0 0, 0.0 -3,-0.7 0, 0.0 -0.658 83.7 32.3 -78.2 135.8 48.7 1.2 3.0 163 163 A N T 3 0 0 173 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.263 360.0 360.0 113.3 -31.7 52.1 3.0 3.1 164 164 A L < 0 0 131 -3,-1.0 -2,-0.1 -4,-0.1 -3,-0.1 0.795 360.0 360.0 -66.3 360.0 50.7 5.8 5.5