==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-05 2A4T . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,M.R.SAWAYA,K.HIDEG,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 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 . 10 6.1 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 . 1 0.6 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 2 0 1 2 1 0 0 1 1 1 0 0 0 0 0 0 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 1 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 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.9 16.9 1.7 8.8 2 2 A N > - 0 0 68 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.930 360.0 -81.4-159.1 174.4 20.1 0.8 10.5 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.844 126.8 50.5 -55.9 -38.3 22.3 -2.4 11.1 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.951 114.1 42.3 -65.3 -48.8 20.1 -3.5 14.0 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.889 115.5 52.7 -64.7 -36.5 16.8 -3.2 12.0 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.955 112.8 41.2 -62.8 -55.6 18.5 -4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.844 110.1 59.5 -65.1 -32.3 19.8 -7.8 10.8 8 8 A R H X S+ 0 0 104 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.904 108.6 45.3 -61.9 -40.0 16.5 -8.1 12.7 9 9 A I H < S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.946 117.7 43.3 -65.1 -47.8 14.7 -8.4 9.4 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.804 124.5 32.9 -69.8 -32.6 17.3 -10.9 8.0 11 11 A E H < S- 0 0 40 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.676 92.2-153.1-101.4 -21.7 17.6 -13.1 11.1 12 12 A G < - 0 0 23 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 -0.193 23.8 -88.1 73.8-173.5 14.0 -12.9 12.7 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.944 45.4 165.3-141.4 118.2 13.3 -13.3 16.4 14 14 A R E -A 28 0A 140 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -0.999 21.7-161.2-134.9 129.8 12.7 -16.7 18.0 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.464 73.6 64.7 -93.0 -2.6 12.8 -17.2 21.8 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.911 101.0 -86.7-119.8 146.5 13.3 -21.0 21.8 17 17 A I E + 0 0 31 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.274 59.0 167.3 -51.5 129.5 16.3 -22.9 20.5 18 18 A Y E -A 26 0A 27 8,-2.8 8,-3.2 -4,-0.1 2,-0.5 -0.905 38.3-101.6-139.7 166.1 15.8 -23.6 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.831 35.6-140.1 -95.7 130.8 17.9 -24.7 13.8 20 20 A D > - 0 0 44 4,-2.8 3,-1.7 -2,-0.5 -1,-0.1 0.054 42.0 -76.2 -73.4-170.0 19.2 -22.0 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.748 135.3 48.8 -65.1 -23.9 19.4 -22.3 7.6 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.391 123.2-104.4 -92.7 -1.0 22.5 -24.5 7.9 23 23 A G S < S+ 0 0 38 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.561 75.1 141.0 88.4 12.5 20.8 -26.8 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.696 61.1-101.1 -94.1 138.4 22.7 -25.3 13.5 25 25 A Y E +A 19 0A 34 9,-0.4 8,-2.5 11,-0.4 9,-1.3 -0.343 55.3 161.6 -59.8 128.5 21.2 -24.7 16.9 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-2.8 6,-0.3 2,-0.3 -0.883 18.8-168.6-144.5 161.6 20.4 -21.0 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.3 -2,-0.3 -12,-0.2 -0.976 51.1 3.3-151.6 163.4 18.3 -18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-1.0 -0.379 123.4 -6.0 69.9-130.2 17.1 -15.1 19.5 29 29 A I T 4 S- 0 0 5 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.2 -0.688 129.2 -51.8-102.2 73.9 18.0 -12.9 16.6 30 30 A G T 4 S+ 0 0 11 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.820 82.7 163.9 66.3 29.6 20.3 -15.2 14.7 31 31 A H E < -B 27 0A 29 -4,-2.3 -4,-1.7 -20,-0.1 2,-0.3 -0.717 30.3-145.0 -83.1 102.6 22.5 -16.1 17.7 32 32 A L E -B 26 0A 72 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.484 18.4-176.7 -66.5 126.7 24.4 -19.2 16.7 33 33 A L - 0 0 14 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.885 58.2 -33.0 -91.1 -47.1 24.9 -21.5 19.7 34 34 A T - 0 0 32 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.974 34.8-130.4-169.1 157.2 27.0 -24.3 18.3 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.446 74.8 116.9 -93.0 -3.2 27.6 -26.3 15.2 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.373 68.5-138.3 -63.2 136.7 27.3 -29.5 17.3 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.528 76.7 104.6 -74.3 -0.7 24.4 -31.8 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.703 57.4-162.3 -86.8 115.3 23.9 -32.2 20.2 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.894 95.4 56.2 -59.4 -39.0 20.9 -30.3 21.6 40 40 A N H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 105.5 50.5 -59.5 -40.3 22.4 -30.7 25.1 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 110.8 49.7 -61.6 -44.6 25.6 -29.0 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.907 109.9 50.4 -61.3 -43.3 23.5 -26.2 22.5 43 43 A K H X S+ 0 0 74 -4,-2.7 4,-2.6 1,-0.2 11,-0.2 0.895 108.8 52.3 -63.5 -40.2 21.6 -25.8 25.8 44 44 A S H X S+ 0 0 70 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.910 109.8 48.6 -60.8 -43.6 24.9 -25.7 27.6 45 45 A E H X S+ 0 0 65 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.913 111.2 51.6 -62.1 -41.7 26.1 -22.9 25.3 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.939 108.8 48.3 -61.1 -49.1 22.9 -21.0 25.9 47 47 A D H X>S+ 0 0 37 -4,-2.6 4,-2.5 1,-0.2 5,-1.2 0.896 113.9 48.1 -59.5 -40.7 23.1 -21.2 29.7 48 48 A K H <5S+ 0 0 140 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.889 112.2 49.2 -65.9 -42.7 26.7 -20.0 29.5 49 49 A A H <5S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 120.8 35.0 -63.9 -40.1 25.8 -17.1 27.1 50 50 A I H <5S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.737 103.9-125.8 -88.1 -28.9 22.8 -16.0 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.751 77.0 75.6 85.3 26.5 24.3 -16.7 32.7 52 52 A R S - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.484 32.5-109.2 -90.5 166.9 13.1 -13.6 27.0 60 60 A K H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 121.7 53.5 -60.8 -42.4 13.0 -10.9 24.4 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 109.6 47.9 -58.6 -43.3 15.3 -8.7 26.5 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 110.6 51.5 -65.1 -41.6 17.8 -11.6 26.7 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -34,-0.5 0.913 110.9 48.7 -58.4 -44.1 17.6 -12.1 22.9 64 64 A E H X S+ 0 0 77 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.821 107.5 55.2 -68.9 -30.4 18.3 -8.4 22.4 65 65 A K H X S+ 0 0 129 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.953 109.9 45.1 -67.2 -47.4 21.2 -8.5 24.7 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.890 112.3 54.2 -59.7 -39.3 22.9 -11.3 22.8 67 67 A F H X S+ 0 0 11 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.935 106.7 49.7 -61.9 -47.7 22.0 -9.4 19.6 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.931 113.0 47.6 -56.4 -46.4 23.8 -6.3 20.8 69 69 A Q H X S+ 0 0 93 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.892 112.4 49.7 -61.2 -41.0 26.8 -8.3 21.7 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.871 110.6 47.7 -69.7 -40.0 26.8 -10.1 18.3 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.950 113.6 49.2 -63.9 -46.8 26.5 -6.9 16.3 72 72 A D H X S+ 0 0 99 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.920 110.6 51.3 -56.1 -45.8 29.4 -5.4 18.4 73 73 A A H X S+ 0 0 36 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.872 107.9 51.7 -62.4 -38.3 31.4 -8.6 17.8 74 74 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.938 112.9 44.5 -64.6 -46.9 30.9 -8.4 14.0 75 75 A V H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.946 114.0 50.2 -61.1 -48.7 32.1 -4.7 13.9 76 76 A R H X S+ 0 0 137 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.905 109.9 51.6 -54.7 -44.2 35.0 -5.6 16.3 77 77 A G H X S+ 0 0 6 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.891 109.6 49.3 -61.3 -43.5 35.9 -8.5 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 7,-0.4 0.945 111.9 47.7 -60.8 -49.3 35.9 -6.3 10.9 79 79 A L H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.781 112.8 48.4 -67.7 -26.4 38.2 -3.7 12.5 80 80 A R H 3< S+ 0 0 179 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 0.596 94.7 91.9 -86.2 -13.7 40.7 -6.3 13.8 81 81 A N S+ 0 0 136 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.854 120.0 40.3 -87.9 -39.2 41.6 -7.7 4.9 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.8 1,-0.2 5,-0.2 0.865 102.4 66.7 -81.2 -37.2 38.2 -6.3 6.1 85 85 A K H X S+ 0 0 86 -4,-2.6 4,-3.0 -7,-0.4 5,-0.2 0.913 100.5 47.3 -55.0 -52.8 39.2 -3.1 7.9 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.872 114.4 48.6 -58.8 -34.5 40.5 -1.2 4.8 87 87 A V H X S+ 0 0 4 -4,-0.7 4,-0.8 -3,-0.2 3,-0.4 0.969 112.7 47.1 -68.3 -49.6 37.3 -2.2 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.920 111.7 51.1 -54.7 -46.9 35.0 -1.1 5.8 89 89 A D H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.3 54.5 -63.0 -29.5 36.9 2.2 6.2 90 90 A S H 3< S+ 0 0 32 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.634 97.4 87.0 -79.1 -15.4 36.5 2.9 2.5 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.495 76.2-117.6 -92.1 156.4 32.7 2.5 2.6 92 92 A D > - 0 0 53 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.291 45.0 -93.8 -74.0 170.6 29.8 4.8 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.830 122.9 50.8 -61.2 -37.3 27.5 4.1 6.3 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.949 113.6 43.6 -67.9 -48.3 24.9 2.1 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.838 107.4 60.9 -66.6 -32.9 27.5 -0.2 2.7 96 96 A R H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.918 103.0 52.1 -55.9 -43.6 29.3 -0.6 6.0 97 97 A A H X S+ 0 0 5 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.905 105.8 54.1 -59.7 -41.3 26.0 -2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.916 109.5 47.6 -61.4 -41.6 26.0 -4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.899 110.8 50.5 -66.0 -40.8 29.5 -5.7 5.3 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.920 107.6 55.9 -61.2 -42.6 28.6 -6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.936 107.8 47.2 -54.0 -51.5 25.6 -8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.916 113.1 48.5 -56.9 -46.8 27.8 -10.6 6.0 103 103 A V H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 108.8 53.7 -63.4 -39.5 30.2 -10.9 8.9 104 104 A F H < S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.925 116.5 39.2 -58.7 -44.2 27.3 -11.5 11.3 105 105 A Q H < S+ 0 0 53 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.909 133.9 16.3 -75.3 -44.9 26.1 -14.3 9.1 106 106 A M H < S- 0 0 53 -4,-3.0 4,-0.5 -5,-0.2 -3,-0.2 0.519 104.4-113.2-113.1 -7.9 29.3 -16.0 8.0 107 107 A G X - 0 0 31 -4,-2.2 4,-2.3 -5,-0.4 5,-0.3 0.110 32.7 -77.3 89.4 155.1 32.0 -14.8 10.4 108 108 A E H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 128.2 48.0 -51.6 -54.6 35.1 -12.6 10.0 109 109 A T H > S+ 0 0 117 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.908 110.7 51.9 -58.1 -44.6 37.3 -15.4 8.5 110 110 A G H >4 S+ 0 0 33 -4,-0.5 3,-0.8 1,-0.2 4,-0.3 0.942 114.5 40.5 -57.9 -51.6 34.6 -16.3 6.0 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.892 107.7 61.7 -67.6 -39.2 34.0 -12.8 4.7 112 112 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.752 96.5 64.2 -57.6 -22.6 37.8 -12.0 4.7 113 113 A G T << S+ 0 0 51 -4,-0.9 2,-2.4 -3,-0.8 -1,-0.3 0.632 73.3 91.2 -76.4 -16.6 38.1 -14.8 2.2 114 114 A F <> + 0 0 44 -3,-2.1 4,-2.8 -4,-0.3 5,-0.2 -0.299 53.4 160.8 -76.4 56.0 36.0 -13.0 -0.5 115 115 A T H > + 0 0 72 -2,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.839 67.2 43.3 -49.4 -49.7 39.2 -11.5 -1.9 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.916 115.3 47.9 -68.7 -41.9 37.9 -10.5 -5.3 117 117 A S H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 110.9 52.8 -62.6 -44.5 34.6 -9.1 -4.1 118 118 A L H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.917 108.2 50.4 -57.9 -44.6 36.4 -7.1 -1.4 119 119 A R H X S+ 0 0 125 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.932 110.9 48.5 -59.3 -47.1 38.8 -5.6 -4.1 120 120 A M H <>S+ 0 0 40 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.878 112.1 49.5 -63.3 -37.2 35.8 -4.5 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.5 2,-0.2 -1,-0.2 0.934 110.3 49.9 -64.3 -46.6 34.1 -3.0 -3.2 122 122 A Q H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 111.3 50.1 -58.2 -36.7 37.3 -1.1 -2.3 123 123 A Q T 3<5S- 0 0 88 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.501 110.6-125.7 -79.4 -6.9 37.4 0.1 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.5 2,-1.2 -4,-0.3 -3,-0.2 0.836 60.6 146.8 59.3 36.2 33.7 1.2 -5.8 125 125 A R >< + 0 0 122 -5,-2.5 4,-3.0 1,-0.2 5,-0.2 -0.714 22.4 175.2 -96.9 76.3 32.9 -0.9 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.852 69.5 44.8 -60.9 -45.8 29.4 -1.5 -7.4 127 127 A D H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 116.7 47.3 -65.3 -42.9 27.8 -3.5 -10.3 128 128 A E H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 112.7 49.0 -63.9 -43.3 30.9 -5.6 -10.7 129 129 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 -9,-0.2 -1,-0.2 0.924 110.3 52.4 -59.7 -45.5 31.1 -6.3 -6.9 130 130 A A H X S+ 0 0 11 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.912 110.9 46.1 -57.8 -46.3 27.4 -7.2 -6.9 131 131 A C H < S+ 0 0 73 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.914 114.1 48.5 -63.3 -43.7 27.9 -9.7 -9.7 132 132 A N H >< S+ 0 0 36 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.888 106.1 56.5 -66.3 -40.0 31.0 -11.2 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.820 100.7 59.4 -60.5 -32.3 29.3 -11.5 -4.7 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.6 -3,-0.3 -1,-0.3 0.620 84.5 81.8 -73.7 -14.6 26.5 -13.6 -6.2 135 135 A K S < S+ 0 0 159 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 -0.505 81.4 96.4 -88.6 65.5 29.1 -16.2 -7.4 136 136 A S S > S- 0 0 16 -2,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.991 85.8-116.9-153.8 154.7 29.1 -17.9 -4.0 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.912 116.4 61.7 -56.9 -40.8 27.8 -20.7 -1.8 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.932 106.4 42.1 -50.3 -54.3 26.4 -17.8 0.3 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.915 115.7 49.3 -62.2 -46.1 24.2 -16.5 -2.5 140 140 A N H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 116.0 41.5 -64.6 -38.0 23.1 -20.0 -3.6 141 141 A Q H < S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 132.7 21.2 -80.3 -36.0 22.1 -21.2 -0.1 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.577 74.5 159.3-129.0 70.0 20.4 -17.9 1.0 143 143 A P H > S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.873 71.1 49.3 -67.8 -38.4 19.5 -16.2 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.950 116.9 41.5 -66.3 -45.1 16.8 -13.8 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 116.3 49.5 -65.4 -46.3 18.9 -12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.908 107.8 55.4 -59.7 -40.8 22.1 -12.4 -0.2 147 147 A K H X S+ 0 0 82 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.899 108.2 48.3 -58.3 -42.1 20.1 -10.4 -2.8 148 148 A R H X S+ 0 0 54 -4,-1.8 4,-1.9 2,-0.2 12,-0.2 0.938 114.6 44.6 -63.9 -46.7 19.1 -7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.924 114.7 48.9 -64.5 -44.6 22.7 -7.5 1.1 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.910 108.4 53.1 -62.7 -43.4 24.0 -7.3 -2.5 151 151 A T H X S+ 0 0 40 -4,-2.7 4,-2.7 -5,-0.2 6,-0.4 0.887 107.1 54.1 -57.8 -37.9 21.4 -4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.919 111.4 43.6 -63.6 -44.1 22.6 -2.6 -0.5 153 153 A F H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.845 114.9 50.8 -66.6 -36.8 26.2 -2.8 -1.7 154 154 A R H < S+ 0 0 108 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.934 126.1 21.0 -68.3 -43.6 25.1 -2.1 -5.3 155 155 A T H < S- 0 0 39 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.682 85.5-134.1-101.8 -25.3 23.0 1.0 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.4 -62,-0.2 0.747 74.5 106.2 69.8 22.0 24.2 2.3 -1.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.817 80.7-122.0-124.5 168.7 20.5 2.6 -0.3 158 158 A W S >> S+ 0 0 52 -2,-0.3 3,-2.4 1,-0.2 4,-0.6 0.136 70.4 123.9 -94.3 18.7 18.1 0.7 2.0 159 159 A D G >4 + 0 0 91 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.801 68.0 57.2 -50.8 -36.5 15.8 -0.0 -1.0 160 160 A A G 34 S+ 0 0 25 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.613 110.0 45.6 -72.9 -11.5 15.9 -3.8 -0.4 161 161 A Y G X4 S+ 0 0 2 -3,-2.4 3,-0.9 -13,-0.1 -1,-0.2 0.392 85.7 109.0-112.5 -2.3 14.7 -3.4 3.2 162 162 A K T << S+ 0 0 108 -3,-0.7 -3,-0.0 -4,-0.6 0, 0.0 -0.511 83.3 20.6 -75.2 148.0 11.8 -0.9 2.5 163 163 A N T 3 0 0 160 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.781 360.0 360.0 55.9 32.5 8.3 -2.4 3.0 164 164 A L < 0 0 129 -3,-0.9 -1,-0.3 0, 0.0 -3,-0.1 -0.855 360.0 360.0-129.7 360.0 9.8 -5.1 5.1