==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-NOV-05 2D6B . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.ONDRACEK,J.R.MESTERS . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 K 0 0 78 0, 0.0 39,-3.0 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 137.1 1.3 9.7 9.6 2 2 A V B -A 39 0A 103 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.890 360.0-150.5-100.0 109.5 1.4 13.0 7.7 3 3 A F - 0 0 11 35,-2.9 2,-0.2 -2,-0.8 3,-0.0 -0.508 10.6-121.9 -76.8 146.1 -2.2 14.2 7.7 4 4 A G > - 0 0 35 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.558 33.0-108.9 -68.6 157.9 -3.7 16.3 4.9 5 5 A R H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.954 117.5 37.4 -54.5 -55.7 -5.0 19.7 6.1 6 6 A a H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.867 113.3 58.5 -69.0 -30.6 -8.7 18.9 5.7 7 7 A E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.8 43.6 -56.9 -48.1 -8.1 15.3 6.9 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.928 110.3 56.3 -66.2 -38.7 -6.7 16.6 10.2 9 9 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.942 109.3 46.1 -56.5 -45.7 -9.5 19.2 10.4 10 10 A A H X S+ 0 0 46 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.929 112.3 50.1 -67.7 -36.5 -12.1 16.5 10.2 11 11 A A H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.935 112.3 47.1 -65.8 -43.4 -10.3 14.3 12.7 12 12 A M H <>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 6,-0.3 0.891 111.7 50.6 -63.4 -40.9 -10.0 17.1 15.2 13 13 A K H ><5S+ 0 0 79 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.912 107.5 53.5 -64.2 -39.9 -13.6 18.1 14.8 14 14 A R H 3<5S+ 0 0 180 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.880 106.8 53.1 -60.4 -32.7 -14.7 14.5 15.3 15 15 A H T 3<5S- 0 0 30 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.364 122.8-104.1 -86.7 5.7 -12.7 14.4 18.6 16 16 A G T < 5S+ 0 0 31 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.693 83.0 124.8 90.1 16.6 -14.4 17.5 19.9 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.7 2,-0.1 2,-0.3 0.797 39.2 104.3 -82.7 -27.3 -11.7 20.2 19.4 18 18 A D T 3 S- 0 0 44 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.297 105.4 -4.8 -54.3 113.5 -13.6 22.6 17.3 19 19 A N T > S+ 0 0 106 4,-1.6 3,-2.4 -2,-0.3 -1,-0.3 0.644 90.3 160.8 72.6 12.0 -14.5 25.4 19.8 20 20 A Y B X S-B 23 0B 70 -3,-2.7 3,-1.9 3,-0.7 -1,-0.2 -0.492 78.4 -4.7 -71.2 128.1 -13.0 23.6 22.7 21 21 A R T 3 S- 0 0 159 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.755 135.4 -59.7 53.5 28.2 -12.3 26.1 25.5 22 22 A G T < S+ 0 0 69 -3,-2.4 2,-0.7 1,-0.2 -1,-0.3 0.455 103.6 132.0 88.2 4.2 -13.4 28.7 22.9 23 23 A Y B < -B 20 0B 46 -3,-1.9 -4,-1.6 -6,-0.2 -3,-0.7 -0.796 52.2-134.6 -97.5 114.8 -10.8 27.9 20.3 24 24 A S >> - 0 0 42 -2,-0.7 3,-1.7 -5,-0.2 4,-1.0 -0.137 27.8-102.2 -61.3 153.3 -12.2 27.5 16.8 25 25 A L H 3> S+ 0 0 10 1,-0.3 4,-2.5 2,-0.2 3,-0.5 0.848 118.5 61.9 -48.7 -43.1 -11.0 24.6 14.6 26 26 A G H 3> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.832 97.8 57.5 -60.9 -31.2 -8.7 26.7 12.5 27 27 A N H <> S+ 0 0 20 -3,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.888 109.4 45.5 -60.9 -40.6 -6.7 27.6 15.6 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.5 -2,-0.2 0.900 114.0 47.2 -74.4 -38.0 -6.0 23.9 16.2 29 29 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.937 113.4 48.9 -70.2 -42.4 -5.2 23.2 12.6 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.921 110.7 51.2 -61.4 -47.3 -2.9 26.2 12.4 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.934 111.1 47.9 -58.1 -47.0 -1.2 25.1 15.6 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 6,-1.2 0.902 108.6 55.3 -60.3 -42.4 -0.6 21.6 14.2 33 33 A K H X5S+ 0 0 61 -4,-2.7 4,-1.7 4,-0.2 -1,-0.2 0.943 116.9 33.8 -54.8 -48.7 0.8 23.0 11.0 34 34 A F H <5S+ 0 0 59 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.759 119.5 50.3 -88.1 -23.8 3.4 25.0 12.7 35 35 A E H <5S- 0 0 33 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.876 138.9 -7.4 -75.0 -40.0 4.1 22.7 15.5 36 36 A S H ><5S- 0 0 11 -4,-2.5 3,-1.5 19,-0.4 -3,-0.2 0.366 84.2-114.5-139.3 -1.3 4.6 19.5 13.4 37 37 A N T 3< - 0 0 43 4,-3.0 3,-2.2 -2,-0.3 -1,-0.0 -0.473 26.2-106.1 -93.4 160.2 13.9 21.1 24.3 47 47 A T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.805 119.4 54.7 -54.8 -36.7 16.8 23.0 25.9 48 48 A D T 3 S- 0 0 96 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.286 123.5-101.7 -87.4 8.5 16.0 21.5 29.3 49 49 A G S < S+ 0 0 23 -3,-2.2 -2,-0.1 1,-0.4 -1,-0.1 0.297 84.6 124.0 88.2 -5.5 16.2 18.0 27.9 50 50 A S - 0 0 0 19,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.271 52.2-137.4 -70.7 170.6 12.4 17.4 27.7 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.8 -3,-0.1 2,-0.4 -0.978 1.0-136.8-137.2 144.3 11.0 16.4 24.3 52 52 A D E -CD 44 59C 26 -8,-2.6 -8,-1.8 -2,-0.3 2,-0.4 -0.867 26.7-160.0-101.1 138.6 7.9 17.5 22.4 53 53 A Y E > -CD 43 58C 24 5,-2.1 5,-2.4 -2,-0.4 3,-0.4 -0.963 31.6 -13.7-127.4 132.7 5.9 14.8 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.6 3,-1.4 -2,-0.4 30,-0.2 -0.132 98.3 -29.5 89.3-174.9 3.3 14.5 18.0 55 55 A I T 3 5S+ 0 0 0 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.788 141.5 33.5 -59.8 -25.1 1.1 16.7 16.0 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.173 107.2-123.2-117.4 12.4 0.7 19.2 18.7 57 57 A Q T < 5 - 0 0 9 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.907 34.4-163.6 53.6 54.9 4.3 18.8 20.1 58 58 A I E < -D 53 0C 2 -5,-2.4 -5,-2.1 -6,-0.1 2,-0.4 -0.532 16.1-119.5 -79.8 137.8 3.2 18.0 23.6 59 59 A N E >> -D 52 0C 39 -2,-0.3 4,-2.5 -7,-0.2 3,-1.4 -0.577 9.1-150.4 -94.4 132.5 6.0 18.3 26.1 60 60 A S T 34 S+ 0 0 0 -9,-2.8 6,-0.2 -2,-0.4 13,-0.2 0.622 88.8 81.2 -68.4 -14.1 7.3 15.5 28.3 61 61 A R T 34 S- 0 0 83 -10,-0.2 12,-2.2 11,-0.1 -1,-0.3 0.863 120.0 -4.4 -60.8 -34.6 8.2 18.0 31.0 62 62 A W T <4 S+ 0 0 109 -3,-1.4 13,-2.8 10,-0.2 -2,-0.2 0.654 131.5 44.5-124.2 -32.0 4.6 18.0 32.1 63 63 A W S < S+ 0 0 30 -4,-2.5 13,-1.7 11,-0.3 15,-0.3 0.643 103.8 21.1-110.6 -24.5 2.3 16.0 30.1 64 64 A c - 0 0 0 9,-0.5 2,-0.5 -5,-0.5 -1,-0.1 -0.979 69.4-109.2-143.9 161.4 3.6 12.5 29.2 65 65 A N B +e 79 0D 80 13,-2.6 15,-2.8 -2,-0.3 16,-0.4 -0.848 36.8 156.1 -98.7 125.4 6.2 9.9 30.3 66 66 A D - 0 0 36 -2,-0.5 -1,-0.1 13,-0.2 8,-0.0 0.417 50.9-127.0-119.1 -3.4 9.3 9.3 28.2 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.438 95.9 76.8 75.4 -1.0 11.5 7.9 30.9 68 68 A R + 0 0 115 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.092 67.1 85.1-134.5 23.2 14.3 10.5 30.0 69 69 A T S > S- 0 0 12 -9,-0.1 3,-2.0 -19,-0.0 -2,-0.1 -0.842 74.6-146.5-124.6 82.4 13.0 13.8 31.5 70 70 A P T 3 S+ 0 0 132 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.255 78.2 10.5 -58.0 135.3 14.2 13.6 35.1 71 71 A G T 3 S+ 0 0 72 1,-0.2 -10,-0.0 0, 0.0 2,-0.0 0.518 97.9 138.0 82.0 4.0 11.9 15.2 37.6 72 72 A S < - 0 0 31 -3,-2.0 -1,-0.2 1,-0.1 2,-0.2 -0.185 47.2-125.1 -81.2 174.2 9.1 15.6 35.1 73 73 A R - 0 0 143 -12,-2.2 -9,-0.5 -13,-0.2 -1,-0.1 -0.633 2.1-150.6-108.0 172.4 5.4 15.1 35.4 74 74 A N > + 0 0 52 -11,-0.2 3,-1.8 -2,-0.2 -11,-0.3 -0.573 28.1 162.1-140.5 67.4 2.9 12.9 33.3 75 75 A L T 3 S+ 0 0 78 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.782 75.8 50.4 -74.1 -24.1 -0.3 14.8 33.7 76 76 A d T 3 S- 0 0 11 -13,-1.7 -1,-0.3 2,-0.1 -12,-0.1 0.509 104.9-132.9 -85.1 -3.5 -2.0 13.2 30.7 77 77 A N < + 0 0 136 -3,-1.8 -2,-0.1 1,-0.2 -13,-0.1 0.931 64.3 113.8 53.7 50.7 -1.0 9.8 32.2 78 78 A I S S- 0 0 31 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.999 73.7-102.4-141.5 151.5 0.3 8.4 28.9 79 79 A P B > -e 65 0D 68 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.573 36.0-123.8 -67.3 142.3 3.6 7.3 27.4 80 80 A c G > S+ 0 0 1 -15,-2.8 3,-2.0 1,-0.3 -14,-0.1 0.829 109.4 68.9 -59.0 -31.9 4.9 10.0 25.1 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.1 1,-0.3 -1,-0.3 0.816 85.1 68.4 -57.4 -26.7 5.0 7.4 22.3 82 82 A A G X S+ 0 0 31 -3,-1.8 3,-0.8 1,-0.3 9,-0.3 0.737 91.8 62.9 -60.4 -24.0 1.2 7.3 22.4 83 83 A L G < S+ 0 0 1 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.418 95.5 58.9 -83.5 0.9 1.4 10.9 21.0 84 84 A L G < S+ 0 0 43 -3,-2.1 -1,-0.2 -30,-0.2 -2,-0.2 0.379 80.0 120.0-104.7 -3.4 3.1 9.6 17.8 85 85 A S S < S- 0 0 58 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.135 74.2-123.5 -62.6 154.7 0.3 7.3 16.7 86 86 A S S S+ 0 0 72 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.780 102.2 76.5 -65.7 -24.1 -1.5 7.6 13.5 87 87 A D S > S- 0 0 91 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.826 73.0-159.1 -91.9 122.1 -4.6 7.8 15.6 88 88 A I T 3> + 0 0 5 -2,-0.6 4,-2.6 1,-0.2 5,-0.3 0.429 61.5 106.8 -87.0 6.4 -4.7 11.3 17.2 89 89 A T H 3> S+ 0 0 48 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.890 81.2 45.6 -50.6 -50.8 -7.0 10.4 20.1 90 90 A A H <> S+ 0 0 25 -3,-0.5 4,-2.1 -8,-0.3 -1,-0.3 0.918 113.0 50.3 -65.1 -39.7 -4.3 10.5 22.7 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.7 -4,-0.3 -2,-0.2 0.883 113.9 45.4 -64.3 -39.2 -2.9 13.8 21.4 92 92 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 111.8 49.9 -70.9 -41.0 -6.4 15.4 21.4 93 93 A N H X S+ 0 0 73 -4,-3.0 4,-1.1 -5,-0.3 -1,-0.2 0.901 115.1 44.6 -66.9 -37.9 -7.4 14.2 24.8 94 94 A d H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.3 3,-0.4 0.935 109.5 55.3 -70.1 -43.9 -4.1 15.5 26.2 95 95 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.870 101.8 59.0 -56.0 -32.4 -4.3 18.8 24.4 96 96 A K H X S+ 0 0 43 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.864 107.6 46.0 -66.0 -37.0 -7.8 19.3 26.0 97 97 A K H >< S+ 0 0 105 -4,-1.1 3,-0.6 -3,-0.4 4,-0.3 0.922 113.2 49.6 -64.5 -45.9 -6.1 19.1 29.4 98 98 A I H >< S+ 0 0 5 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.939 109.4 49.9 -58.7 -48.2 -3.3 21.5 28.3 99 99 A V H 3< S+ 0 0 4 -4,-2.9 5,-0.4 1,-0.3 3,-0.3 0.620 110.0 53.9 -69.2 -15.1 -5.6 24.1 26.9 100 100 A S T << S+ 0 0 31 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.390 81.7 90.0 -91.6 -3.9 -7.6 24.0 30.1 101 101 A D S < S- 0 0 79 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.545 111.1 -82.9 -82.9 -3.4 -4.7 24.6 32.6 102 102 A G S S+ 0 0 64 -3,-0.3 -3,-0.1 -4,-0.1 -1,-0.1 -0.142 116.6 65.8 139.1 -33.8 -5.0 28.5 32.6 103 103 A N S > S- 0 0 110 -5,-0.3 3,-1.8 1,-0.3 4,-0.1 0.337 78.8-152.8-109.1 12.5 -3.2 29.9 29.6 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.217 69.5 -15.3 50.2-140.3 -5.3 28.5 26.8 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 7,-0.3 0.576 114.8 90.8 -77.5 -3.1 -3.5 28.0 23.5 106 106 A N G < + 0 0 56 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.683 69.2 80.6 -62.1 -16.9 -0.5 30.2 24.6 107 107 A A G < S+ 0 0 47 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.782 83.8 66.5 -54.9 -29.5 0.8 26.9 25.9 108 108 A W S X> S- 0 0 9 -3,-2.2 4,-2.4 1,-0.2 3,-0.6 -0.829 72.2-162.2 -97.3 107.1 1.9 26.3 22.3 109 109 A V H 3> S+ 0 0 85 -2,-0.9 4,-2.6 1,-0.3 5,-0.2 0.876 90.4 54.6 -58.7 -40.9 4.6 28.8 21.3 110 110 A A H 3> S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.834 107.5 51.9 -64.8 -34.1 4.1 28.3 17.6 111 111 A W H <>>S+ 0 0 11 -3,-0.6 5,-2.8 -6,-0.2 4,-2.6 0.951 111.8 46.1 -66.9 -48.1 0.4 29.1 18.0 112 112 A R H <5S+ 0 0 114 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.936 121.1 36.9 -57.1 -41.0 1.2 32.3 19.9 113 113 A N H <5S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.701 132.9 21.0 -89.5 -16.9 3.8 33.4 17.4 114 114 A R H <5S+ 0 0 138 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.634 130.8 27.0-129.4 -8.8 2.2 32.2 14.1 115 115 A b T ><5S+ 0 0 0 -4,-2.6 3,-2.4 -5,-0.3 5,-0.2 0.705 85.8 98.5-124.4 -45.1 -1.5 31.7 14.6 116 116 A K T 3 + 0 0 91 1,-0.2 3,-1.6 -2,-0.2 4,-0.2 -0.502 55.3 168.1 -76.2 74.1 -7.0 34.6 9.8 120 120 A V G > + 0 0 17 -2,-2.2 3,-2.2 1,-0.3 4,-0.3 0.754 63.6 74.6 -71.0 -20.6 -7.0 31.1 11.3 121 121 A Q G >> S+ 0 0 89 1,-0.3 3,-2.0 2,-0.2 4,-0.8 0.845 80.4 73.9 -62.0 -22.9 -10.2 30.2 9.5 122 122 A A G X4 S+ 0 0 36 -3,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.803 83.4 68.5 -54.4 -28.6 -8.1 30.0 6.4 123 123 A W G <4 S+ 0 0 54 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.674 109.5 32.1 -70.6 -16.5 -6.8 26.8 7.8 124 124 A I G X4 S+ 0 0 32 -3,-2.0 3,-1.8 -4,-0.3 -1,-0.2 0.443 87.8 125.4-114.7 5.1 -10.2 25.0 7.3 125 125 A R T << S+ 0 0 119 -4,-0.8 3,-0.1 -3,-0.6 -119,-0.1 -0.282 76.7 20.1 -70.2 140.7 -11.4 26.9 4.2 126 126 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.261 92.3 127.2 92.5 -20.9 -12.3 24.5 1.4 127 127 A a < - 0 0 21 -3,-1.8 2,-1.0 1,-0.1 -1,-0.3 -0.561 61.4-134.9 -75.2 139.1 -12.7 21.5 3.6 128 128 A R 0 0 239 -2,-0.2 -1,-0.1 -3,-0.1 -118,-0.0 -0.832 360.0 360.0 -92.7 103.4 -16.0 19.7 3.4 129 129 A L 0 0 88 -2,-1.0 -119,-0.0 -5,-0.1 -3,-0.0 -0.840 360.0 360.0-125.1 360.0 -16.5 19.4 7.1