==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUN-01 1H6M . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR D.J.VOCADLO,G.J.DAVIES,R.LAINE,S.G.WITHERS . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 24.8 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 86 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 135.3 2.1 10.3 8.6 2 2 A V B -A 39 0A 98 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.949 360.0-148.8-103.6 110.2 2.2 13.7 6.9 3 3 A F - 0 0 12 35,-2.5 2,-0.2 -2,-0.7 3,-0.0 -0.456 10.7-121.8 -72.0 150.4 -1.4 15.0 6.7 4 4 A G > - 0 0 36 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.552 34.2-105.5 -79.3 161.4 -2.7 17.1 4.0 5 5 A R H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.957 118.7 36.7 -54.3 -60.2 -4.1 20.4 5.2 6 6 A a H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.840 114.0 58.1 -64.4 -30.9 -7.9 19.6 4.8 7 7 A E H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 109.6 44.3 -65.4 -41.2 -7.3 16.0 5.9 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.903 110.0 55.1 -70.0 -39.7 -5.9 17.2 9.2 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.944 109.7 47.7 -57.6 -44.7 -8.6 19.8 9.6 10 10 A A H X S+ 0 0 42 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.904 111.7 49.1 -65.5 -40.5 -11.2 17.1 9.3 11 11 A A H X S+ 0 0 19 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.914 110.7 50.4 -63.4 -42.2 -9.5 14.8 11.8 12 12 A M H <>S+ 0 0 2 -4,-2.8 5,-2.5 1,-0.2 6,-0.3 0.904 111.4 48.9 -64.9 -38.4 -9.2 17.6 14.3 13 13 A K H ><5S+ 0 0 82 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.912 108.3 52.5 -67.9 -41.1 -12.8 18.4 13.9 14 14 A R H 3<5S+ 0 0 200 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.0 52.2 -66.2 -28.7 -13.9 14.8 14.3 15 15 A H T 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.155 124.2-102.8 -91.4 17.9 -11.8 14.6 17.6 16 16 A G T < 5S+ 0 0 36 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.600 83.0 124.1 77.8 19.2 -13.6 17.7 18.9 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.2 -6,-0.1 2,-0.3 0.711 37.9 106.9 -82.2 -20.7 -11.0 20.5 18.5 18 18 A D T 3 S- 0 0 57 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.461 106.1 -7.9 -65.8 119.0 -13.2 23.0 16.4 19 19 A N T > S+ 0 0 97 4,-1.5 3,-2.5 -2,-0.3 -1,-0.3 0.580 90.8 163.1 66.9 13.1 -14.0 25.7 18.9 20 20 A Y B X S-B 23 0B 54 -3,-2.2 3,-1.8 3,-0.7 -1,-0.2 -0.482 80.5 -5.3 -63.0 128.5 -12.5 23.8 21.8 21 21 A R T 3 S- 0 0 145 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.764 136.0 -59.6 51.1 26.8 -12.0 26.4 24.6 22 22 A G T < S+ 0 0 64 -3,-2.5 2,-0.8 1,-0.2 -1,-0.3 0.541 102.5 133.3 88.0 4.9 -13.1 28.9 22.0 23 23 A Y B < -B 20 0B 47 -3,-1.8 -4,-1.5 -6,-0.2 -3,-0.7 -0.824 51.5-134.4 -97.6 111.4 -10.4 28.2 19.5 24 24 A S >> - 0 0 43 -2,-0.8 3,-1.8 -5,-0.2 4,-0.9 -0.190 28.1-103.0 -58.7 154.5 -11.7 27.9 15.9 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.797 117.4 61.4 -48.5 -41.1 -10.4 25.0 13.8 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.798 96.6 61.0 -63.8 -27.3 -8.1 27.1 11.7 27 27 A N H <> S+ 0 0 19 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.913 108.2 44.0 -60.1 -43.7 -6.1 28.1 14.9 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.881 113.9 48.8 -67.9 -43.4 -5.3 24.4 15.4 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 111.9 49.4 -64.1 -43.7 -4.5 23.8 11.8 30 30 A b H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.918 110.9 49.9 -60.4 -45.2 -2.2 26.8 11.7 31 31 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 5,-0.2 0.907 111.8 48.5 -63.6 -39.5 -0.4 25.8 14.9 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-1.2 0.909 108.1 55.2 -65.7 -39.5 0.1 22.3 13.5 33 33 A K H X5S+ 0 0 64 -4,-2.6 4,-1.8 4,-0.2 -2,-0.2 0.961 113.9 37.7 -59.0 -53.1 1.4 23.6 10.2 34 34 A F H <5S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.803 120.1 45.8 -73.8 -25.5 4.2 25.8 11.7 35 35 A Q H <5S+ 0 0 29 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.862 137.1 0.5 -86.2 -33.9 5.2 23.4 14.4 36 36 A S H ><5S- 0 0 11 -4,-2.3 3,-1.5 19,-0.3 -3,-0.2 0.440 84.3-118.9-133.7 -4.3 5.3 20.1 12.5 37 37 A N T 3< - 0 0 44 4,-2.8 3,-2.2 -2,-0.2 -1,-0.0 -0.683 23.8-114.3 -97.3 153.9 14.7 21.9 23.5 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.745 115.6 60.8 -56.9 -27.8 17.8 23.5 25.1 48 48 A D T 3 S- 0 0 84 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.375 122.6-105.1 -83.5 1.3 16.5 22.5 28.5 49 49 A G S < S+ 0 0 20 -3,-2.2 -2,-0.1 1,-0.3 2,-0.0 0.280 84.3 118.2 96.9 -8.5 16.7 18.9 27.5 50 50 A S - 0 0 0 19,-0.1 -4,-2.8 -5,-0.1 2,-0.3 -0.256 54.3-136.7 -79.2 173.5 13.0 18.3 27.0 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.1 -3,-0.1 2,-0.4 -0.993 2.0-134.8-135.3 146.2 11.6 17.2 23.6 52 52 A D E -CD 44 59C 36 -8,-2.7 -8,-1.6 -2,-0.3 2,-0.4 -0.824 26.9-160.4 -98.8 139.3 8.6 18.3 21.6 53 53 A Y E > -CD 43 58C 23 5,-2.3 5,-1.9 -2,-0.4 3,-0.3 -0.962 32.1 -17.5-130.1 130.8 6.5 15.5 19.9 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.5 -2,-0.4 30,-0.2 -0.135 97.7 -29.0 88.9-170.8 4.0 15.2 17.1 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.806 140.7 35.6 -59.5 -31.8 1.7 17.4 15.1 56 56 A L T 3 5S- 0 0 1 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.246 106.0-124.0-110.4 9.8 1.3 19.9 17.9 57 57 A Q T < 5 - 0 0 12 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.884 35.9-166.8 54.8 50.5 4.9 19.6 19.3 58 58 A I E < -D 53 0C 2 -5,-1.9 -5,-2.3 -6,-0.1 2,-0.3 -0.505 16.3-121.8 -77.6 134.4 3.8 18.7 22.8 59 59 A N E >> -D 52 0C 26 -7,-0.2 4,-2.3 -2,-0.2 3,-0.9 -0.626 9.0-147.4 -95.5 134.9 6.6 19.0 25.4 60 60 A S T 34 S+ 0 0 0 -9,-2.1 13,-0.2 -2,-0.3 6,-0.2 0.579 89.2 80.8 -69.5 -13.2 8.0 16.3 27.6 61 61 A R T 34 S- 0 0 48 11,-0.2 12,-2.1 -10,-0.1 -1,-0.2 0.865 120.7 -3.9 -61.7 -36.5 8.7 18.8 30.4 62 62 A W T <4 S+ 0 0 133 -3,-0.9 13,-3.0 10,-0.2 -2,-0.2 0.672 131.9 44.4-125.1 -28.6 5.1 18.7 31.5 63 63 A W S < S+ 0 0 24 -4,-2.3 13,-1.7 11,-0.3 15,-0.3 0.724 103.2 21.5-110.0 -23.6 2.9 16.6 29.3 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 11,-0.1 -0.950 68.0-113.4-143.3 160.1 4.3 13.2 28.3 65 65 A N B +e 79 0D 78 13,-2.7 15,-2.6 -2,-0.3 16,-0.4 -0.874 34.9 158.3 -98.9 124.7 6.9 10.7 29.5 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.271 52.4-123.1-119.1 6.1 9.9 10.1 27.4 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.516 97.0 71.9 70.5 4.2 12.1 8.7 30.2 68 68 A R + 0 0 117 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.072 65.1 93.0-139.8 27.1 14.9 11.3 29.5 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.9 -19,-0.0 -2,-0.1 -0.794 70.4-140.2-122.2 88.4 13.6 14.6 30.8 70 70 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.179 79.4 7.7 -56.5 129.5 14.7 15.0 34.3 71 71 A G T 3 S+ 0 0 84 1,-0.2 -10,-0.0 0, 0.0 0, 0.0 0.441 99.4 138.0 89.4 1.3 12.4 16.5 36.8 72 72 A S < - 0 0 35 -3,-1.9 -1,-0.2 1,-0.1 2,-0.2 -0.115 44.0-135.3 -81.7 170.7 9.5 16.5 34.3 73 73 A R - 0 0 159 -12,-2.1 -9,-0.4 -13,-0.2 -1,-0.1 -0.676 6.5-145.9-114.7 176.1 5.9 15.6 34.6 74 74 A N > + 0 0 50 -2,-0.2 3,-1.9 -11,-0.2 -11,-0.3 -0.558 29.1 164.0-140.1 65.8 3.5 13.5 32.5 75 75 A L T 3 S+ 0 0 53 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.733 76.4 51.7 -68.1 -19.8 0.3 15.4 32.9 76 76 A d T 3 S- 0 0 21 -13,-1.7 -1,-0.3 2,-0.2 -12,-0.1 0.471 104.6-131.9 -92.4 -1.5 -1.4 13.8 30.0 77 77 A N < + 0 0 139 -3,-1.9 -13,-0.1 1,-0.2 -2,-0.1 0.904 64.9 111.1 52.7 54.2 -0.4 10.3 31.3 78 78 A I S S- 0 0 34 -15,-0.3 -13,-2.7 16,-0.0 2,-0.2 -0.988 74.6-101.9-146.9 155.8 1.0 9.0 28.0 79 79 A P B > -e 65 0D 68 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.561 36.4-123.3 -74.1 140.3 4.4 8.0 26.6 80 80 A c G > S+ 0 0 2 -15,-2.6 3,-1.8 1,-0.3 -14,-0.1 0.813 109.5 71.1 -58.1 -29.0 5.6 10.8 24.3 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.798 84.2 67.4 -55.6 -29.5 5.8 8.2 21.6 82 82 A A G X S+ 0 0 28 -3,-1.8 3,-0.9 1,-0.3 9,-0.3 0.752 91.1 63.8 -61.2 -24.0 1.9 8.1 21.5 83 83 A L G < S+ 0 0 1 -3,-1.8 -28,-0.5 -4,-0.4 -1,-0.3 0.419 95.6 58.9 -79.4 -1.6 2.1 11.6 20.1 84 84 A L G < S+ 0 0 42 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.410 80.1 120.8-106.4 -1.0 3.9 10.4 17.0 85 85 A S S < S- 0 0 52 -3,-0.9 6,-0.1 -4,-0.3 -3,-0.0 -0.146 73.0-125.1 -64.7 153.4 1.1 8.0 15.9 86 86 A S S S+ 0 0 74 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.759 102.4 76.0 -66.4 -20.0 -0.7 8.2 12.6 87 87 A D S > S- 0 0 88 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.832 74.5-157.9 -93.4 117.7 -3.8 8.3 14.8 88 88 A I T 3> + 0 0 7 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.410 62.2 106.8 -83.7 7.8 -4.0 11.8 16.2 89 89 A T H 3> S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 79.9 45.2 -53.4 -46.9 -6.2 10.8 19.2 90 90 A A H <> S+ 0 0 23 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.913 113.5 50.5 -68.2 -38.2 -3.5 11.0 21.8 91 91 A S H > S+ 0 0 5 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.917 113.0 46.7 -64.7 -42.2 -2.2 14.4 20.5 92 92 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.949 112.1 48.3 -65.8 -48.2 -5.7 15.8 20.5 93 93 A N H X S+ 0 0 91 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.888 114.7 46.4 -60.3 -39.6 -6.7 14.6 23.9 94 94 A d H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.919 109.3 54.2 -69.8 -41.6 -3.4 15.9 25.3 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.842 102.8 58.2 -59.0 -35.8 -3.8 19.3 23.5 96 96 A K H X S+ 0 0 44 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.920 108.7 45.6 -59.9 -43.0 -7.3 19.7 25.1 97 97 A K H >< S+ 0 0 109 -4,-1.3 3,-0.5 -3,-0.2 -2,-0.2 0.921 113.2 50.1 -63.3 -40.5 -5.7 19.5 28.5 98 98 A I H >< S+ 0 0 6 -4,-2.1 3,-1.7 1,-0.3 5,-0.3 0.931 109.4 49.0 -67.4 -44.8 -2.9 21.9 27.5 99 99 A V H 3< S+ 0 0 5 -4,-2.8 5,-0.4 1,-0.3 3,-0.3 0.656 109.6 54.2 -71.2 -13.4 -5.2 24.5 26.1 100 100 A S T << S+ 0 0 45 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.397 81.4 95.3 -94.6 1.5 -7.3 24.3 29.3 101 101 A D S < S- 0 0 107 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.1 0.594 107.9 -89.2 -74.8 -14.5 -4.2 24.9 31.5 102 102 A G S S+ 0 0 63 -3,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 0.007 114.5 67.4 133.4 -30.7 -4.8 28.7 31.8 103 103 A N S > S- 0 0 118 1,-0.3 3,-1.9 -5,-0.3 4,-0.1 0.233 83.0-146.2-108.4 12.3 -3.0 30.4 29.0 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.235 69.8 -17.7 60.3-144.3 -5.1 29.1 26.1 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 7,-0.3 0.517 115.6 92.2 -77.8 -1.9 -3.2 28.5 22.9 106 106 A N G < + 0 0 50 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.734 67.9 79.7 -62.7 -15.7 -0.3 30.7 24.1 107 107 A A G < S+ 0 0 52 -3,-1.4 2,-0.9 -4,-0.1 -1,-0.3 0.809 83.6 68.9 -58.7 -27.0 1.1 27.4 25.4 108 108 A W S <> S- 0 0 8 -3,-2.2 4,-2.2 1,-0.2 3,-0.4 -0.832 74.2-161.5 -96.0 107.1 2.1 26.9 21.8 109 109 A V H > S+ 0 0 88 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.882 89.2 51.6 -51.9 -48.7 4.9 29.4 21.1 110 110 A A H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 5,-0.5 0.834 107.4 54.1 -63.1 -33.6 4.6 29.1 17.4 111 111 A W H >>S+ 0 0 11 -3,-0.4 5,-3.1 -6,-0.2 4,-2.4 0.968 110.0 46.6 -64.3 -47.4 0.8 29.8 17.6 112 112 A R H <5S+ 0 0 113 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.937 121.0 37.8 -58.3 -43.0 1.4 32.9 19.6 113 113 A N H <5S+ 0 0 104 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.754 133.6 18.7 -84.5 -22.3 4.1 34.2 17.2 114 114 A R H <5S+ 0 0 136 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.591 131.0 28.3-125.8 -16.2 2.7 33.0 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.5 -3,-0.2 0.737 83.5 104.9-117.3 -45.4 -1.1 32.3 14.1 116 116 A K T 3 + 0 0 117 1,-0.2 3,-1.3 -3,-0.1 4,-0.2 -0.513 55.7 167.5 -79.0 75.0 -6.7 35.2 9.4 120 120 A V G > + 0 0 15 -2,-2.2 3,-1.9 1,-0.3 4,-0.2 0.683 62.5 77.4 -65.5 -17.8 -6.6 31.6 10.6 121 121 A Q G > S+ 0 0 105 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.837 79.7 72.8 -63.8 -26.2 -9.9 30.7 8.7 122 122 A A G X S+ 0 0 32 -3,-1.3 3,-1.1 1,-0.3 -1,-0.3 0.813 85.5 66.7 -55.9 -28.0 -7.7 30.7 5.6 123 123 A W G < S+ 0 0 49 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.671 106.7 38.1 -71.6 -15.6 -6.3 27.3 6.9 124 124 A I G X S+ 0 0 34 -3,-2.2 3,-1.8 -4,-0.2 -1,-0.3 0.270 84.8 135.4-115.5 10.6 -9.6 25.6 6.5 125 125 A R T < S+ 0 0 134 -3,-1.1 3,-0.1 -4,-0.4 -119,-0.1 -0.353 75.6 11.0 -62.9 128.6 -10.6 27.2 3.2 126 126 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.418 95.7 136.8 89.4 -4.5 -11.9 24.8 0.6 127 127 A a < - 0 0 21 -3,-1.8 2,-0.5 1,-0.0 -1,-0.3 -0.611 54.9-132.8 -83.7 135.5 -12.2 22.0 3.1 128 128 A R 0 0 236 -2,-0.3 -118,-0.1 -3,-0.1 -1,-0.0 -0.750 360.0 360.0 -81.4 131.9 -15.1 19.7 3.3 129 129 A L 0 0 86 -2,-0.5 -119,-0.1 -116,-0.0 -123,-0.0 -0.828 360.0 360.0-166.4 360.0 -16.0 19.5 6.9