==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-99 1QIO . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR G.KRYGER,M.WEIK,R.B.RAVELLI . 128 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.8 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 8.6 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 . 7 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 25.0 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 85 0, 0.0 39,-2.8 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 132.5 1.0 9.6 9.1 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.889 360.0-149.7-100.5 108.1 1.2 12.9 7.2 3 3 A F - 0 0 16 35,-2.6 2,-0.2 -2,-0.8 3,-0.0 -0.464 10.2-122.0 -71.3 145.0 -2.4 14.3 7.3 4 4 A G > - 0 0 35 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.515 32.8-108.7 -71.0 159.6 -3.8 16.5 4.6 5 5 A R H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.957 119.2 36.7 -58.6 -55.6 -5.1 19.8 5.9 6 6 A a H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.873 113.3 59.6 -69.5 -30.9 -8.8 19.1 5.5 7 7 A E H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.932 110.0 42.8 -58.8 -47.0 -8.2 15.4 6.5 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.920 110.5 55.6 -69.0 -40.2 -6.8 16.7 9.9 9 9 A A H X S+ 0 0 3 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.934 108.7 48.4 -54.4 -45.5 -9.6 19.3 10.3 10 10 A A H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.902 112.5 47.3 -65.8 -38.2 -12.2 16.6 9.9 11 11 A A H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.903 112.7 48.8 -69.9 -41.1 -10.5 14.3 12.4 12 12 A M H <>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 6,-0.4 0.909 112.9 49.0 -63.7 -39.6 -10.1 17.2 15.0 13 13 A K H ><5S+ 0 0 128 -4,-2.7 3,-2.1 -5,-0.3 -2,-0.2 0.933 108.6 52.1 -63.4 -45.2 -13.7 18.2 14.5 14 14 A R H 3<5S+ 0 0 174 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.899 108.3 52.8 -59.3 -35.9 -14.9 14.6 15.0 15 15 A H T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.247 122.8-103.1 -85.0 10.4 -12.9 14.4 18.2 16 16 A G T < 5S+ 0 0 35 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.618 82.0 125.8 88.4 17.2 -14.5 17.6 19.6 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.3 2,-0.1 2,-0.4 0.731 38.4 106.9 -83.6 -20.5 -11.7 20.2 19.2 18 18 A D T 3 S- 0 0 73 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.454 105.9 -9.3 -65.9 120.9 -13.9 22.7 17.3 19 19 A N T > S+ 0 0 116 4,-1.7 3,-2.0 -2,-0.4 2,-0.3 0.623 88.2 161.9 45.4 32.3 -14.4 25.4 19.9 20 20 A Y B X S-B 23 0B 70 -3,-2.3 3,-2.0 3,-0.7 -1,-0.2 -0.557 81.2 -1.2 -67.0 126.4 -13.0 23.4 22.7 21 21 A R T 3 S- 0 0 158 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.764 136.8 -60.8 55.6 26.9 -12.2 26.0 25.4 22 22 A G T < S+ 0 0 50 -3,-2.0 2,-0.6 1,-0.2 -1,-0.3 0.566 103.5 134.2 85.1 5.5 -13.5 28.6 22.9 23 23 A Y B < -B 20 0B 45 -3,-2.0 -4,-1.7 -6,-0.2 -3,-0.7 -0.837 50.4-134.7 -99.6 114.9 -10.8 27.8 20.2 24 24 A S >> - 0 0 43 -2,-0.6 3,-1.4 -6,-0.2 4,-1.0 -0.171 27.3-103.3 -63.0 160.6 -12.2 27.4 16.7 25 25 A L H 3> S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.848 118.4 61.6 -53.2 -41.7 -11.1 24.5 14.4 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.826 98.2 57.5 -60.0 -31.9 -8.8 26.7 12.4 27 27 A N H <> S+ 0 0 20 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.911 109.1 45.8 -59.4 -44.0 -6.7 27.5 15.5 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.4 -2,-0.2 0.882 113.7 47.6 -67.3 -42.5 -6.1 23.8 16.0 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 112.5 49.8 -67.0 -41.9 -5.2 23.2 12.4 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.3 0.934 110.3 50.8 -61.1 -43.3 -2.9 26.2 12.3 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.947 111.8 47.1 -61.2 -45.9 -1.2 25.0 15.5 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-1.2 0.903 108.1 56.8 -63.0 -36.7 -0.7 21.5 14.0 33 33 A K H X5S+ 0 0 63 -4,-2.5 4,-1.6 4,-0.2 -1,-0.2 0.954 116.0 34.2 -55.7 -53.0 0.7 23.0 10.8 34 34 A F H <5S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.726 120.7 48.9 -84.7 -16.3 3.4 24.9 12.5 35 35 A E H <5S- 0 0 33 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.920 138.0 -4.8 -80.1 -45.0 4.1 22.3 15.3 36 36 A S H ><5S- 0 0 10 -4,-2.6 3,-1.6 19,-0.4 -3,-0.2 0.398 82.8-116.8-132.8 -3.3 4.3 19.2 13.1 37 37 A N T 3< - 0 0 42 4,-3.1 3,-2.0 -2,-0.4 -1,-0.0 -0.549 24.0-110.6 -90.6 160.0 13.8 20.8 23.7 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.802 116.3 61.3 -61.3 -29.2 16.6 22.5 25.4 48 48 A D T 3 S- 0 0 79 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.428 122.0-104.3 -79.3 2.0 15.4 21.5 28.9 49 49 A G S < S+ 0 0 22 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.1 0.226 86.3 119.3 93.8 -10.9 15.9 17.8 27.8 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.300 54.8-138.3 -71.1 169.4 12.2 17.2 27.4 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.1 -3,-0.1 2,-0.4 -0.983 2.1-136.0-132.8 146.7 10.8 16.1 24.0 52 52 A D E -CD 44 59C 27 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.4 -0.854 26.5-160.6-100.6 141.7 7.7 17.2 22.0 53 53 A Y E > -CD 43 58C 23 5,-2.1 5,-2.2 -2,-0.4 3,-0.4 -0.962 31.7 -14.9-131.0 134.1 5.7 14.5 20.3 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.7 -2,-0.4 30,-0.2 -0.164 98.7 -27.1 88.0-171.9 3.1 14.2 17.6 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.771 141.5 32.4 -58.0 -28.1 0.8 16.3 15.6 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.234 106.7-121.7-118.7 18.3 0.5 18.9 18.3 57 57 A Q T < 5 - 0 0 10 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.907 36.2-165.9 49.3 54.0 4.1 18.5 19.8 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.1 -6,-0.1 2,-0.2 -0.587 16.1-121.8 -79.7 135.5 3.0 17.6 23.3 59 59 A N E >>> -D 52 0C 28 -2,-0.3 4,-2.0 -7,-0.2 3,-0.7 -0.524 7.9-144.8 -93.9 145.7 5.8 17.8 25.8 60 60 A S T 345S+ 0 0 0 -9,-2.1 6,-0.2 -2,-0.2 9,-0.1 0.555 88.9 78.1 -80.7 -5.5 7.2 15.2 28.1 61 61 A R T 345S- 0 0 77 11,-0.2 12,-2.4 -10,-0.1 -1,-0.2 0.861 121.4 -2.6 -71.5 -36.0 7.9 17.5 31.0 62 62 A W T <45S+ 0 0 131 -3,-0.7 13,-2.8 10,-0.2 -2,-0.2 0.628 131.9 43.1-118.6 -32.2 4.3 17.5 32.0 63 63 A W T <5S+ 0 0 24 -4,-2.0 13,-2.1 11,-0.3 15,-0.3 0.769 104.9 20.6-109.2 -28.8 2.0 15.6 29.8 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 9,-0.4 -1,-0.2 -0.956 69.3-111.2-139.2 162.7 3.4 12.2 28.7 65 65 A N B +e 79 0D 76 13,-2.7 15,-2.7 -2,-0.3 16,-0.4 -0.839 36.9 156.1 -98.5 123.8 6.0 9.6 29.8 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 -6,-0.2 8,-0.0 0.367 51.6-125.5-118.7 3.3 9.1 9.0 27.7 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.423 95.9 73.4 68.2 4.9 11.3 7.7 30.5 68 68 A R + 0 0 118 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.080 66.0 91.6-137.1 27.9 14.1 10.2 29.8 69 69 A T S > S- 0 0 7 -9,-0.1 3,-1.9 3,-0.0 -2,-0.1 -0.777 70.7-141.9-122.9 84.9 12.7 13.6 31.2 70 70 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.180 79.8 9.3 -56.2 136.4 13.9 13.9 34.8 71 71 A G T 3 S+ 0 0 87 1,-0.2 2,-0.1 0, 0.0 -10,-0.0 0.507 100.1 138.6 77.5 7.4 11.5 15.4 37.3 72 72 A S < - 0 0 34 -3,-1.9 -1,-0.2 1,-0.1 -10,-0.2 -0.314 43.3-138.6 -83.0 167.4 8.7 15.3 34.8 73 73 A R - 0 0 147 -12,-2.4 -9,-0.4 -3,-0.1 -1,-0.1 -0.599 6.9-144.9-111.1 178.0 5.1 14.3 35.1 74 74 A N > + 0 0 54 -2,-0.2 3,-1.4 -11,-0.2 -11,-0.3 -0.636 30.3 161.1-142.1 62.5 2.7 12.3 32.9 75 75 A L T 3 S+ 0 0 60 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.721 75.3 54.3 -72.2 -19.1 -0.6 14.1 33.4 76 76 A d T 3 S- 0 0 16 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.522 104.6-133.7 -85.2 -4.7 -2.2 12.6 30.2 77 77 A N < + 0 0 126 -3,-1.4 -13,-0.1 1,-0.2 -2,-0.1 0.927 64.1 111.0 57.2 50.5 -1.3 9.2 31.6 78 78 A I S S- 0 0 30 -15,-0.3 -13,-2.7 16,-0.0 2,-0.2 -0.998 74.6-102.5-148.2 152.9 0.1 7.9 28.4 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.559 35.6-123.9 -69.7 141.6 3.5 6.9 26.9 80 80 A c G > S+ 0 0 1 -15,-2.7 3,-1.8 1,-0.3 -14,-0.1 0.825 109.1 68.2 -58.1 -29.9 4.7 9.7 24.6 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-2.0 1,-0.3 4,-0.3 0.796 86.9 67.5 -61.5 -25.5 5.0 7.2 21.8 82 82 A A G X S+ 0 0 31 -3,-1.9 3,-0.7 1,-0.3 9,-0.3 0.721 90.5 64.6 -66.2 -16.5 1.1 7.0 21.8 83 83 A L G < S+ 0 0 2 -3,-1.8 -28,-0.5 -4,-0.4 -1,-0.3 0.465 95.0 59.6 -81.6 -0.6 1.2 10.6 20.6 84 84 A L G < S+ 0 0 43 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.454 79.5 118.8-105.4 -0.9 2.9 9.4 17.3 85 85 A S S < S- 0 0 53 -3,-0.7 6,-0.1 -4,-0.3 -3,-0.0 -0.151 75.1-121.6 -64.6 156.0 0.2 7.1 16.2 86 86 A S S S+ 0 0 76 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.755 102.2 77.0 -65.6 -22.4 -1.7 7.5 13.0 87 87 A D S > S- 0 0 92 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.831 71.8-160.0 -87.1 115.0 -4.9 7.6 15.2 88 88 A I T 3> + 0 0 7 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.397 61.7 105.7 -83.6 5.5 -5.0 11.1 16.8 89 89 A T H 3> S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 81.3 45.3 -51.8 -48.2 -7.3 10.2 19.7 90 90 A A H <> S+ 0 0 25 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.909 113.4 50.1 -66.8 -39.9 -4.5 10.3 22.3 91 91 A S H > S+ 0 0 5 -4,-0.3 4,-2.6 -9,-0.3 -1,-0.2 0.914 113.0 46.7 -63.3 -41.4 -3.1 13.5 21.1 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.950 111.5 50.0 -66.6 -44.5 -6.5 15.2 21.1 93 93 A N H X S+ 0 0 85 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.889 114.8 44.5 -60.1 -38.9 -7.5 13.9 24.5 94 94 A d H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 3,-0.4 0.922 109.0 55.9 -72.1 -40.4 -4.2 15.2 25.9 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.857 102.1 57.9 -56.5 -38.0 -4.5 18.5 24.0 96 96 A K H X S+ 0 0 43 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.898 108.0 46.6 -60.3 -40.8 -7.8 19.0 25.7 97 97 A K H >< S+ 0 0 107 -4,-1.2 3,-0.8 -3,-0.4 4,-0.3 0.931 112.7 49.8 -65.1 -43.2 -6.1 18.8 29.1 98 98 A I H >< S+ 0 0 8 -4,-2.4 3,-1.8 1,-0.3 5,-0.3 0.943 109.6 48.6 -63.2 -44.9 -3.3 21.1 28.1 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.3 1,-0.3 3,-0.3 0.656 109.5 55.6 -72.5 -10.9 -5.6 23.8 26.7 100 100 A S T << S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.385 81.4 93.7 -91.4 -2.4 -7.6 23.6 30.0 101 101 A D S < S- 0 0 117 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.557 108.1 -87.8 -78.2 -9.8 -4.5 24.2 32.2 102 102 A G S S+ 0 0 65 -3,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 -0.081 114.9 64.6 136.2 -37.1 -4.9 28.0 32.5 103 103 A N S > S- 0 0 128 1,-0.3 3,-1.8 -5,-0.3 4,-0.1 0.248 83.5-146.2-107.0 14.6 -3.2 29.8 29.5 104 104 A G G > S- 0 0 12 -5,-0.3 3,-1.4 1,-0.3 -1,-0.3 -0.259 70.1 -15.6 59.3-143.8 -5.4 28.4 26.7 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.558 115.4 90.7 -76.4 -3.2 -3.6 27.8 23.5 106 106 A N G < + 0 0 50 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.712 68.6 80.1 -61.2 -18.2 -0.6 29.9 24.6 107 107 A A G < S+ 0 0 55 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.791 84.0 66.3 -54.0 -31.0 0.7 26.6 25.9 108 108 A W S X> S- 0 0 9 -3,-2.1 4,-2.3 1,-0.2 3,-0.6 -0.850 75.3-164.1 -93.0 102.1 1.8 26.0 22.3 109 109 A V H 3> S+ 0 0 82 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.880 89.3 55.3 -56.1 -38.9 4.4 28.7 21.7 110 110 A A H 3> S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.847 105.8 51.8 -64.9 -34.9 4.1 28.2 17.9 111 111 A W H <>>S+ 0 0 11 -3,-0.6 5,-2.9 -6,-0.2 4,-2.3 0.942 112.4 46.1 -61.3 -49.6 0.4 28.9 18.1 112 112 A R H <5S+ 0 0 111 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.933 120.3 38.8 -59.9 -44.3 1.1 32.1 20.1 113 113 A N H <5S+ 0 0 101 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.700 133.3 18.7 -80.0 -20.7 3.9 33.2 17.6 114 114 A R H <5S+ 0 0 139 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.599 131.7 27.9-127.7 -18.6 2.3 32.1 14.3 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 -3,-0.2 0.733 84.8 101.7-116.7 -42.0 -1.5 31.6 14.7 116 116 A K T 3 + 0 0 91 1,-0.2 3,-1.7 -2,-0.1 4,-0.3 -0.449 56.3 168.5 -77.1 73.8 -6.9 34.7 9.9 120 120 A V G > + 0 0 16 -2,-2.4 3,-1.8 1,-0.3 4,-0.3 0.784 62.8 74.5 -68.3 -21.2 -7.0 31.1 11.3 121 121 A Q G > S+ 0 0 95 1,-0.3 3,-1.8 -3,-0.2 4,-0.3 0.785 80.4 74.9 -60.2 -24.8 -10.3 30.3 9.3 122 122 A A G X S+ 0 0 34 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.840 83.3 67.5 -53.8 -31.2 -8.1 30.1 6.3 123 123 A W G < S+ 0 0 54 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.683 105.7 39.0 -68.3 -16.0 -6.8 26.8 7.5 124 124 A I G X S+ 0 0 48 -3,-1.8 3,-1.6 -4,-0.3 -1,-0.3 0.263 85.1 130.5-114.2 13.2 -10.2 25.1 7.0 125 125 A R T < S+ 0 0 123 -3,-1.4 3,-0.1 -4,-0.3 -119,-0.1 -0.366 75.2 17.1 -67.1 139.8 -11.1 26.8 3.7 126 126 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -2,-0.0 2,-0.2 0.230 94.8 131.7 88.4 -18.3 -12.2 24.5 1.1 127 127 A a < 0 0 40 -3,-1.6 -1,-0.3 1,-0.1 -3,-0.0 -0.542 360.0 360.0 -80.7 138.4 -12.9 21.7 3.6 128 128 A R 0 0 278 -2,-0.2 -1,-0.1 -3,-0.1 -118,-0.0 -0.853 360.0 360.0 -90.6 360.0 -16.1 19.7 3.5