==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-05 2BPU . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.JAKONCIC,M.DI MICHIEL,Z.ZHONG,V.HONKIMAKI,Y.JOUANNEAU, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 88 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 134.8 10.3 -1.9 -0.2 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.922 360.0-150.9-102.6 111.4 13.6 -1.9 -2.0 3 3 A F - 0 0 13 35,-2.6 2,-0.2 -2,-0.7 3,-0.0 -0.472 10.7-122.3 -78.6 150.1 14.9 1.7 -2.1 4 4 A G > - 0 0 34 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.529 33.5-106.5 -76.6 160.1 17.1 3.2 -4.8 5 5 A R H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.947 118.6 35.1 -53.5 -59.4 20.4 4.7 -3.6 6 6 A a H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.832 114.9 59.1 -69.7 -30.9 19.5 8.4 -3.9 7 7 A E H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.933 109.8 43.2 -60.1 -45.7 15.9 7.7 -2.9 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.899 111.1 54.4 -67.7 -41.2 17.2 6.2 0.4 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.948 110.7 46.9 -56.0 -46.2 19.7 9.0 0.8 10 10 A A H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.898 112.8 48.1 -64.2 -41.1 16.9 11.6 0.5 11 11 A A H X S+ 0 0 18 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.916 111.8 49.9 -66.9 -40.1 14.6 9.7 2.9 12 12 A M H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 6,-0.4 0.924 111.1 49.7 -64.4 -43.1 17.4 9.4 5.5 13 13 A K H ><5S+ 0 0 81 -4,-2.5 3,-2.0 -5,-0.2 -2,-0.2 0.915 107.4 53.4 -59.5 -46.8 18.2 13.1 5.1 14 14 A R H 3<5S+ 0 0 200 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.870 107.5 52.6 -57.7 -35.5 14.5 14.0 5.6 15 15 A H T 3<5S- 0 0 30 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.230 121.5-108.3 -87.6 14.2 14.5 12.0 8.8 16 16 A G T < 5S+ 0 0 32 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.663 81.5 125.9 76.8 21.1 17.6 13.9 10.2 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.2 -6,-0.1 2,-0.3 0.751 37.6 107.1 -85.0 -22.8 20.2 11.1 9.8 18 18 A D T 3 S- 0 0 57 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.419 102.6 -7.5 -62.5 117.3 22.6 13.1 7.7 19 19 A N T > S+ 0 0 108 4,-1.6 3,-2.3 -2,-0.3 -1,-0.3 0.559 90.5 164.0 68.4 15.9 25.6 14.0 10.0 20 20 A Y B X S-B 23 0B 71 -3,-2.2 3,-1.9 3,-0.6 -1,-0.3 -0.432 77.3 -3.5 -65.9 128.0 23.7 12.5 13.0 21 21 A R T 3 S- 0 0 158 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.769 135.6 -60.1 51.4 29.7 26.4 12.0 15.7 22 22 A G T < S+ 0 0 57 -3,-2.3 2,-0.8 1,-0.2 -1,-0.3 0.500 103.6 131.4 84.7 7.1 28.9 13.2 13.1 23 23 A Y B < -B 20 0B 48 -3,-1.9 -4,-1.6 -6,-0.2 -3,-0.6 -0.821 52.7-135.2 -99.5 109.4 28.2 10.4 10.6 24 24 A S >> - 0 0 48 -2,-0.8 3,-1.4 -5,-0.2 4,-1.1 -0.141 26.6-102.5 -57.9 157.1 27.8 11.8 7.1 25 25 A L H 3> S+ 0 0 13 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.833 118.7 61.7 -52.1 -40.8 24.9 10.6 4.9 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.828 98.8 57.5 -57.4 -35.0 27.2 8.4 2.8 27 27 A N H <> S+ 0 0 20 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.913 109.3 44.5 -59.9 -44.4 28.1 6.4 5.9 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.892 113.9 48.5 -69.1 -41.9 24.4 5.6 6.5 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 112.6 49.4 -63.8 -45.1 23.7 4.7 2.8 30 30 A b H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.931 110.6 50.2 -59.2 -44.4 26.8 2.5 2.8 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.938 111.9 47.8 -58.9 -48.6 25.7 0.7 6.0 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 6,-1.2 0.889 107.5 57.0 -63.0 -39.5 22.3 0.1 4.5 33 33 A K H X5S+ 0 0 60 -4,-2.6 4,-1.6 4,-0.2 -1,-0.2 0.950 115.8 34.1 -55.1 -52.5 23.7 -1.2 1.3 34 34 A F H <5S+ 0 0 56 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.770 119.9 49.4 -82.2 -21.6 25.7 -3.9 2.9 35 35 A E H <5S- 0 0 33 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 138.2 -5.0 -76.8 -42.2 23.3 -4.7 5.8 36 36 A S H ><5S- 0 0 11 -4,-2.4 3,-1.2 19,-0.4 -3,-0.2 0.402 83.3-115.9-134.6 -3.0 20.2 -5.0 3.7 37 37 A N T 3< - 0 0 40 4,-3.2 3,-1.9 -2,-0.2 -1,-0.0 -0.602 26.3-106.4 -98.6 164.9 21.9 -14.6 14.5 47 47 A T T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.777 117.8 55.9 -63.5 -27.5 23.8 -17.4 16.1 48 48 A D T 3 S- 0 0 91 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.343 123.4 -98.5 -86.3 4.9 22.2 -16.6 19.5 49 49 A G S < S+ 0 0 23 -3,-1.9 -2,-0.1 1,-0.3 19,-0.0 0.250 86.3 122.7 95.9 -14.6 18.6 -16.9 18.3 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.254 52.0-137.8 -73.1 169.8 18.1 -13.2 17.8 51 51 A T E -C 45 0C 10 -6,-0.3 9,-2.3 -3,-0.1 2,-0.4 -0.987 1.5-137.7-134.5 141.9 17.0 -11.7 14.5 52 52 A D E -CD 44 59C 28 -8,-2.8 -8,-1.7 -2,-0.4 2,-0.4 -0.842 26.5-161.5 -97.9 139.3 18.2 -8.6 12.6 53 53 A Y E > -CD 43 58C 26 5,-2.0 5,-2.2 -2,-0.4 3,-0.4 -0.964 31.6 -12.7-129.0 135.5 15.4 -6.5 10.9 54 54 A G T > 5S- 0 0 0 -12,-2.6 3,-1.6 -2,-0.4 30,-0.2 -0.184 98.7 -31.2 88.2-171.3 15.1 -3.9 8.2 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.735 140.8 35.1 -61.6 -27.8 17.4 -1.6 6.2 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.131 107.0-122.4-115.1 18.0 19.9 -1.3 9.0 57 57 A Q T < 5 - 0 0 11 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.888 34.9-165.3 47.8 56.7 19.5 -4.9 10.4 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.0 25,-0.1 2,-0.2 -0.603 16.1-122.7 -82.5 130.0 18.6 -3.9 13.9 59 59 A N E >>> -D 52 0C 36 -2,-0.3 4,-2.2 -7,-0.2 3,-0.8 -0.541 8.0-147.7 -84.6 137.8 18.8 -6.8 16.4 60 60 A S T 345S+ 0 0 0 -9,-2.3 6,-0.2 -2,-0.2 13,-0.2 0.597 90.9 80.8 -72.6 -13.6 16.0 -8.1 18.6 61 61 A R T 345S- 0 0 73 -10,-0.2 12,-1.7 11,-0.2 -1,-0.2 0.845 120.5 -5.4 -62.0 -35.3 18.6 -9.0 21.2 62 62 A W T <45S+ 0 0 112 -3,-0.8 13,-2.7 10,-0.2 -2,-0.2 0.651 132.0 44.5-125.4 -31.5 18.6 -5.4 22.4 63 63 A W T <5S+ 0 0 28 -4,-2.2 13,-2.1 11,-0.3 15,-0.3 0.754 103.9 21.2-108.8 -26.7 16.5 -3.0 20.3 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 9,-0.4 11,-0.1 -0.940 68.5-111.2-141.8 161.6 13.1 -4.3 19.4 65 65 A N B +e 79 0D 83 13,-2.6 15,-2.5 -2,-0.3 16,-0.4 -0.853 36.6 155.6 -97.1 122.7 10.5 -6.9 20.4 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.378 52.4-124.9-117.8 -0.0 9.8 -9.9 18.3 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.421 95.5 74.3 74.7 0.8 8.5 -12.2 21.1 68 68 A R + 0 0 110 1,-0.1 -1,-0.1 2,-0.0 -8,-0.0 0.008 65.3 88.2-134.9 27.2 11.0 -15.0 20.3 69 69 A T S > S- 0 0 10 -9,-0.1 3,-1.9 -19,-0.0 -2,-0.1 -0.674 70.8-153.1-123.9 74.7 14.3 -13.7 21.6 70 70 A P T 3 S+ 0 0 127 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.274 76.4 17.8 -61.0 128.5 14.1 -15.0 25.2 71 71 A G T 3 S+ 0 0 70 1,-0.3 2,-0.0 0, 0.0 -10,-0.0 0.394 98.8 125.4 96.2 2.1 16.1 -12.9 27.6 72 72 A S < - 0 0 29 -3,-1.9 -1,-0.3 1,-0.1 2,-0.2 -0.176 52.1-126.8 -87.6 176.4 16.4 -9.9 25.3 73 73 A R - 0 0 149 -12,-1.7 -9,-0.4 -13,-0.2 -1,-0.1 -0.692 2.3-145.8-114.9 173.8 15.5 -6.2 25.7 74 74 A N > + 0 0 50 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.605 30.7 161.2-137.1 66.2 13.4 -3.7 23.6 75 75 A L T 3 S+ 0 0 52 -13,-2.7 -12,-0.2 1,-0.3 -11,-0.1 0.733 74.6 52.5 -73.5 -22.5 15.3 -0.4 24.0 76 76 A d T 3 S- 0 0 21 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.502 104.5-132.2 -85.5 -3.5 13.7 1.2 21.0 77 77 A N < + 0 0 131 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.920 64.6 114.0 55.3 52.4 10.3 0.3 22.3 78 78 A I S S- 0 0 32 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.995 73.3-104.5-146.0 151.5 9.0 -1.0 19.1 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.565 35.7-124.3 -71.0 141.7 7.9 -4.3 17.5 80 80 A c G > S+ 0 0 1 -15,-2.5 3,-2.0 1,-0.3 -14,-0.1 0.835 108.2 69.7 -57.8 -30.3 10.6 -5.6 15.3 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.794 85.5 67.3 -57.5 -28.2 8.1 -5.7 12.5 82 82 A A G X S+ 0 0 30 -3,-1.6 3,-0.8 1,-0.3 9,-0.3 0.731 91.1 64.3 -61.7 -23.5 8.0 -1.9 12.4 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.417 96.6 57.0 -80.9 -1.5 11.5 -2.1 11.2 84 84 A L G < S+ 0 0 40 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.432 80.9 119.6-105.7 -3.1 10.3 -3.8 8.0 85 85 A S S < S- 0 0 54 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.158 73.5-124.3 -62.9 154.3 7.9 -1.0 6.9 86 86 A S S S+ 0 0 72 2,-0.0 2,-0.6 -45,-0.0 -1,-0.1 0.776 102.7 77.1 -65.9 -24.2 8.2 0.9 3.6 87 87 A D S S- 0 0 90 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.801 74.1-159.0 -87.4 117.0 8.3 4.0 5.9 88 88 A I > + 0 0 5 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.405 61.4 107.0 -84.5 4.1 11.8 4.1 7.4 89 89 A T H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.893 81.0 45.5 -49.5 -53.3 10.9 6.3 10.4 90 90 A A H > S+ 0 0 22 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.912 113.8 48.7 -60.5 -44.7 11.1 3.5 13.0 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.923 114.5 46.9 -61.2 -41.6 14.4 2.2 11.6 92 92 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.925 111.9 48.0 -66.9 -47.2 15.8 5.7 11.6 93 93 A N H X S+ 0 0 89 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.890 115.3 46.3 -62.3 -39.0 14.7 6.6 15.1 94 94 A d H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.3 3,-0.3 0.923 108.9 54.5 -71.1 -39.0 16.1 3.3 16.4 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.871 102.6 58.6 -58.4 -36.6 19.4 3.8 14.5 96 96 A K H X S+ 0 0 44 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.897 108.6 44.9 -62.8 -38.3 19.8 7.2 16.2 97 97 A K H >< S+ 0 0 105 -4,-1.1 3,-0.8 -3,-0.3 4,-0.2 0.936 113.0 51.1 -68.0 -46.0 19.6 5.4 19.6 98 98 A I H >< S+ 0 0 8 -4,-2.4 3,-1.9 1,-0.3 5,-0.3 0.929 107.9 50.0 -57.4 -48.6 22.0 2.7 18.5 99 99 A V H 3< S+ 0 0 4 -4,-2.9 5,-0.4 1,-0.3 3,-0.3 0.644 108.4 56.1 -69.1 -15.1 24.7 5.0 17.2 100 100 A S T << S+ 0 0 37 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.373 79.7 94.9 -91.0 1.7 24.5 7.0 20.5 101 101 A D S < S- 0 0 114 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.658 107.7 -90.4 -73.1 -17.0 25.2 3.8 22.6 102 102 A G S S+ 0 0 63 -3,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 -0.063 114.4 67.3 138.6 -38.6 29.0 4.5 22.8 103 103 A N S > S- 0 0 118 1,-0.3 3,-1.7 -5,-0.3 4,-0.1 0.217 83.0-147.5-100.1 11.9 30.7 2.9 19.8 104 104 A G G > S- 0 0 11 -5,-0.4 3,-1.5 1,-0.3 -1,-0.3 -0.205 70.1 -15.0 55.6-141.1 29.2 5.0 17.1 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.570 115.8 90.2 -75.9 -3.1 28.6 3.3 13.8 106 106 A N G < + 0 0 52 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.711 69.4 79.9 -61.3 -16.9 30.9 0.4 14.9 107 107 A A G < S+ 0 0 59 -3,-1.5 2,-0.9 1,-0.1 -1,-0.3 0.765 83.6 67.0 -56.8 -30.7 27.6 -1.1 16.2 108 108 A W S X> S- 0 0 9 -3,-2.1 4,-2.2 1,-0.2 3,-0.5 -0.855 74.5-164.3 -92.4 104.8 27.0 -2.1 12.6 109 109 A V H 3> S+ 0 0 76 -2,-0.9 4,-2.5 1,-0.3 5,-0.2 0.882 89.4 55.2 -59.5 -36.5 29.7 -4.7 11.9 110 110 A A H 3> S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.831 106.1 51.7 -67.8 -33.2 29.2 -4.4 8.2 111 111 A W H <>>S+ 0 0 12 -3,-0.5 5,-2.9 -6,-0.2 4,-2.3 0.956 111.8 46.5 -62.0 -49.7 29.8 -0.6 8.4 112 112 A R H <5S+ 0 0 114 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.920 120.8 38.2 -58.2 -44.0 33.1 -1.3 10.3 113 113 A N H <5S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.727 133.0 18.9 -83.5 -21.7 34.2 -3.9 7.9 114 114 A R H <5S+ 0 0 139 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.584 131.5 27.8-128.4 -16.0 33.0 -2.5 4.5 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 -3,-0.2 0.739 85.2 101.6-116.6 -43.2 32.4 1.3 4.9 116 116 A K T 3 + 0 0 91 1,-0.2 3,-1.6 -2,-0.1 4,-0.2 -0.494 56.3 167.7 -80.2 74.4 35.2 6.9 0.2 120 120 A V G > + 0 0 16 -2,-2.2 3,-1.7 1,-0.3 4,-0.2 0.712 62.0 75.8 -69.4 -20.3 31.7 6.9 1.6 121 121 A Q G > S+ 0 0 125 1,-0.3 3,-1.9 -3,-0.2 4,-0.4 0.786 80.1 74.3 -59.7 -24.0 30.7 10.1 -0.2 122 122 A A G X S+ 0 0 34 -3,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.809 83.6 68.5 -54.4 -30.0 30.6 8.0 -3.4 123 123 A W G < S+ 0 0 56 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.672 106.3 36.6 -70.0 -16.1 27.3 6.6 -2.0 124 124 A I G X S+ 0 0 47 -3,-1.9 3,-1.7 -4,-0.2 -1,-0.2 0.268 83.7 135.5-116.7 10.3 25.5 10.0 -2.4 125 125 A R T < S+ 0 0 138 -3,-1.0 3,-0.1 -4,-0.4 -119,-0.1 -0.284 76.1 12.3 -56.9 134.7 27.2 11.0 -5.7 126 126 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.2 -120,-0.0 2,-0.1 0.245 95.5 130.7 83.6 -16.9 24.6 12.5 -8.1 127 127 A a < - 0 0 21 -3,-1.7 2,-0.8 1,-0.1 -1,-0.2 -0.457 63.5-120.2 -76.1 145.4 21.8 12.7 -5.6 128 128 A R 0 0 239 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 -0.753 360.0 360.0 -83.6 107.6 19.8 15.9 -5.2 129 129 A L 0 0 104 -2,-0.8 -1,-0.2 -5,-0.0 -2,-0.0 0.221 360.0 360.0-138.8 360.0 20.4 16.9 -1.5