==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-06 2HTX . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Y.WINE,N.COHEN-HADAR,A.FREEMAN,S.LAGZIEL-SIMIS,F.FROLOW . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6681.0 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 . 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 93 0, 0.0 39,-3.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 135.6 2.2 10.4 8.7 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.935 360.0-151.0-103.3 116.0 2.3 13.7 6.9 3 3 A F - 0 0 12 35,-2.7 2,-0.2 -2,-0.6 3,-0.0 -0.471 10.0-123.4 -81.6 152.4 -1.3 15.1 6.7 4 4 A G > - 0 0 34 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.586 33.9-106.5 -81.0 162.6 -2.7 17.3 4.1 5 5 A R H > S+ 0 0 90 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.935 119.0 37.0 -54.1 -57.7 -4.2 20.6 5.3 6 6 A a H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.879 114.1 57.6 -66.6 -35.4 -7.9 19.6 4.8 7 7 A E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.4 42.3 -60.0 -43.8 -7.2 16.0 5.9 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.907 110.9 55.1 -71.9 -41.6 -5.9 17.3 9.2 9 9 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.940 110.5 47.1 -54.2 -46.8 -8.6 19.9 9.6 10 10 A A H X S+ 0 0 29 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.912 112.8 47.9 -61.8 -45.1 -11.2 17.1 9.2 11 11 A A H X S+ 0 0 20 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.914 111.9 50.6 -64.3 -40.8 -9.4 14.8 11.7 12 12 A M H <>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 6,-0.4 0.909 110.9 48.5 -63.0 -40.0 -9.2 17.7 14.2 13 13 A K H ><5S+ 0 0 95 -4,-2.4 3,-1.4 1,-0.2 5,-0.2 0.909 110.5 50.9 -66.0 -43.6 -12.9 18.4 13.9 14 14 A R H 3<5S+ 0 0 203 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.872 108.6 52.9 -60.6 -35.8 -13.8 14.8 14.4 15 15 A H T 3<5S- 0 0 29 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.359 123.5-103.7 -88.5 6.4 -11.6 14.7 17.5 16 16 A G T < 5S+ 0 0 33 -3,-1.4 -3,-0.2 -4,-0.1 -2,-0.1 0.617 83.7 122.0 90.1 19.0 -13.4 17.7 19.0 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.2 2,-0.1 2,-0.4 0.676 35.7 114.2 -83.2 -16.9 -11.0 20.6 18.5 18 18 A D T 3 S- 0 0 74 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.428 104.6 -15.4 -64.3 113.3 -13.3 22.8 16.4 19 19 A N T > S+ 0 0 103 4,-1.4 3,-2.6 -2,-0.4 -1,-0.3 0.591 91.0 168.7 63.8 17.4 -13.9 25.8 18.7 20 20 A Y B X S-B 23 0B 48 -3,-2.2 3,-2.0 3,-0.6 -1,-0.2 -0.428 77.7 -4.4 -60.1 125.0 -12.5 23.9 21.7 21 21 A R T 3 S- 0 0 145 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.773 136.8 -58.9 54.1 28.8 -12.1 26.5 24.5 22 22 A G T < S+ 0 0 55 -3,-2.6 2,-0.8 1,-0.2 -1,-0.3 0.496 103.9 131.7 84.3 4.0 -13.1 29.0 21.8 23 23 A Y B < -B 20 0B 48 -3,-2.0 -4,-1.4 -6,-0.1 -3,-0.6 -0.815 52.5-134.7 -95.0 112.9 -10.3 28.3 19.3 24 24 A S >> - 0 0 40 -2,-0.8 3,-1.6 -5,-0.2 4,-1.0 -0.201 27.0-104.0 -61.0 155.7 -11.6 27.9 15.8 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.812 118.3 63.5 -48.2 -40.7 -10.3 25.0 13.7 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.852 97.8 57.2 -58.8 -33.6 -8.1 27.3 11.7 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.900 109.3 44.5 -59.9 -43.4 -6.1 28.1 14.8 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.873 114.5 47.7 -70.4 -39.3 -5.3 24.5 15.4 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 112.5 49.9 -69.2 -41.9 -4.4 23.8 11.8 30 30 A b H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.2 5,-0.2 0.935 111.2 49.5 -60.6 -45.3 -2.2 26.9 11.7 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.934 111.0 49.2 -61.4 -44.9 -0.5 25.8 14.9 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-1.3 0.885 107.4 56.5 -63.4 -37.0 0.1 22.3 13.5 33 33 A K H X5S+ 0 0 66 -4,-2.4 4,-2.0 4,-0.2 -1,-0.2 0.961 115.6 34.2 -57.4 -50.5 1.5 23.7 10.3 34 34 A F H <5S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.710 119.4 50.5 -83.9 -20.4 4.2 25.8 12.0 35 35 A E H <5S- 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.888 137.1 -4.7 -78.2 -42.8 4.9 23.4 14.8 36 36 A S H ><5S- 0 0 10 -4,-2.5 3,-1.5 19,-0.3 -3,-0.2 0.399 84.3-114.9-135.4 -0.6 5.4 20.2 12.7 37 37 A N T 3< - 0 0 44 4,-3.1 3,-2.1 -2,-0.3 -1,-0.0 -0.566 24.2-110.9 -93.3 157.3 14.7 21.9 23.6 47 47 A T T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.833 117.0 58.3 -58.9 -30.3 17.6 23.8 25.1 48 48 A D T 3 S- 0 0 102 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.415 122.6-102.7 -81.1 1.1 16.5 22.6 28.6 49 49 A G S < S+ 0 0 19 -3,-2.1 -2,-0.1 1,-0.4 -1,-0.1 0.316 85.9 119.7 95.0 -10.8 16.8 18.9 27.6 50 50 A S - 0 0 1 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.342 53.9-138.7 -76.3 169.8 13.1 18.3 27.2 51 51 A T E -C 45 0C 2 -6,-0.2 9,-2.4 -3,-0.1 2,-0.4 -0.982 2.3-134.8-133.5 148.1 11.7 17.3 23.7 52 52 A D E -CD 44 59C 28 -8,-2.8 -8,-1.8 -2,-0.3 2,-0.4 -0.860 27.1-158.8-101.6 138.9 8.6 18.3 21.7 53 53 A Y E > -CD 43 58C 23 5,-2.0 5,-2.3 -2,-0.4 3,-0.4 -0.963 32.2 -19.0-128.5 129.4 6.6 15.5 20.1 54 54 A G T > 5S- 0 0 0 -12,-2.8 3,-1.8 -2,-0.4 30,-0.2 -0.163 98.8 -27.5 88.7-172.4 4.1 15.1 17.3 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.789 141.5 34.7 -59.4 -30.1 1.8 17.3 15.2 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.210 106.3-123.6-109.5 14.2 1.4 19.8 18.0 57 57 A Q T < 5 - 0 0 10 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.908 34.5-164.2 50.3 54.7 5.0 19.6 19.4 58 58 A I E < -D 53 0C 2 -5,-2.3 -5,-2.0 25,-0.1 2,-0.3 -0.544 15.7-121.9 -77.5 130.9 3.9 18.7 22.9 59 59 A N E >> -D 52 0C 30 -2,-0.3 4,-2.3 -7,-0.2 3,-0.8 -0.602 7.5-147.9 -89.5 135.7 6.7 19.1 25.4 60 60 A S T 34 S+ 0 0 0 -9,-2.4 13,-0.2 -2,-0.3 6,-0.2 0.556 89.4 80.3 -71.5 -13.5 8.0 16.3 27.7 61 61 A R T 34 S- 0 0 81 -10,-0.2 12,-2.1 11,-0.2 -1,-0.2 0.890 120.8 -3.3 -62.0 -39.0 8.8 18.9 30.5 62 62 A W T <4 S+ 0 0 113 -3,-0.8 13,-3.1 10,-0.2 -2,-0.2 0.699 131.9 45.4-116.2 -35.6 5.1 18.8 31.5 63 63 A W S < S+ 0 0 27 -4,-2.3 13,-1.8 11,-0.3 2,-0.3 0.704 103.6 18.2-107.5 -25.1 2.9 16.7 29.3 64 64 A c - 0 0 0 9,-0.4 2,-0.6 -5,-0.4 11,-0.1 -0.959 68.1-110.7-145.7 160.8 4.3 13.3 28.5 65 65 A N B +e 79 0D 78 13,-2.6 15,-2.4 -2,-0.3 16,-0.4 -0.867 35.2 158.9 -97.7 123.8 6.9 10.8 29.7 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.310 52.2-122.4-117.3 3.6 10.0 10.2 27.5 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.473 97.1 70.5 76.2 -1.8 12.2 8.8 30.3 68 68 A R + 0 0 120 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.133 65.0 92.5-139.0 26.3 15.0 11.4 29.7 69 69 A T S > S- 0 0 11 -9,-0.1 3,-1.9 -19,-0.0 -2,-0.1 -0.786 71.5-140.0-120.6 87.6 13.6 14.8 30.9 70 70 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.144 79.9 7.1 -50.9 133.0 14.8 15.0 34.5 71 71 A G T 3 S+ 0 0 74 1,-0.2 -10,-0.0 0, 0.0 2,-0.0 0.543 98.4 137.2 79.6 6.1 12.3 16.5 37.0 72 72 A S < - 0 0 30 -3,-1.9 2,-0.2 1,-0.1 -10,-0.2 -0.181 44.7-133.5 -80.5 173.2 9.5 16.6 34.5 73 73 A R - 0 0 146 -12,-2.1 -9,-0.4 -13,-0.2 -1,-0.1 -0.698 5.2-143.7-116.9 175.6 5.9 15.7 34.8 74 74 A N > + 0 0 42 -2,-0.2 3,-1.9 -11,-0.2 -11,-0.3 -0.565 28.9 164.9-139.5 64.7 3.6 13.6 32.6 75 75 A L T 3 S+ 0 0 64 -13,-3.1 -12,-0.2 1,-0.3 -11,-0.1 0.739 77.8 49.9 -65.7 -23.1 0.3 15.5 32.9 76 76 A d T 3 S- 0 0 16 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.501 104.4-134.2 -88.0 -3.2 -1.3 13.8 29.9 77 77 A N < + 0 0 135 -3,-1.9 -13,-0.1 1,-0.2 -2,-0.1 0.924 63.9 111.9 47.5 58.6 -0.3 10.4 31.4 78 78 A I S S- 0 0 33 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.989 75.0-100.8-148.9 152.1 1.1 9.0 28.2 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.576 35.4-124.1 -70.6 143.5 4.5 8.0 26.8 80 80 A c G > S+ 0 0 0 -15,-2.4 3,-2.0 1,-0.3 -14,-0.1 0.830 109.1 69.9 -58.3 -32.7 5.6 10.8 24.4 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.810 86.5 66.9 -53.2 -30.5 6.0 8.2 21.7 82 82 A A G X S+ 0 0 30 -3,-1.8 3,-0.8 1,-0.3 9,-0.3 0.739 91.1 64.1 -61.7 -22.1 2.1 8.0 21.6 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.401 93.9 60.9 -82.3 2.9 2.2 11.5 20.3 84 84 A L G < S+ 0 0 44 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.408 78.6 122.3-107.9 -0.0 3.9 10.4 17.1 85 85 A S S < S- 0 0 51 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.163 72.2-126.0 -62.9 152.9 1.2 8.0 16.0 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.6 1,-0.0 -1,-0.1 0.737 102.9 77.0 -67.6 -20.9 -0.6 8.3 12.6 87 87 A D S > S- 0 0 88 1,-0.1 3,-0.6 -5,-0.1 4,-0.3 -0.830 74.1-160.2 -89.7 115.1 -3.7 8.4 14.8 88 88 A I T 3> + 0 0 6 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.436 61.6 105.3 -84.3 2.3 -3.9 11.9 16.3 89 89 A T H 3> S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.894 80.3 47.0 -47.4 -50.3 -6.2 11.0 19.2 90 90 A A H <> S+ 0 0 26 -3,-0.6 4,-2.3 -8,-0.3 5,-0.2 0.935 113.8 48.4 -65.1 -39.8 -3.5 11.1 21.9 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.8 -9,-0.3 -1,-0.2 0.916 113.6 46.5 -62.6 -45.5 -2.1 14.5 20.6 92 92 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.941 112.9 48.7 -65.3 -48.5 -5.6 16.0 20.5 93 93 A N H X S+ 0 0 74 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.880 114.9 44.9 -57.4 -40.0 -6.6 14.8 23.9 94 94 A d H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 3,-0.4 0.916 109.8 55.5 -72.5 -39.8 -3.4 16.0 25.4 95 95 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.874 101.9 58.3 -57.6 -35.9 -3.7 19.4 23.5 96 96 A K H X S+ 0 0 47 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.903 107.2 46.9 -63.7 -38.7 -7.1 19.8 25.1 97 97 A K H < S+ 0 0 113 -4,-1.1 4,-0.3 -3,-0.4 3,-0.3 0.925 113.0 49.9 -66.0 -41.2 -5.5 19.6 28.6 98 98 A I H >< S+ 0 0 8 -4,-2.2 3,-1.6 1,-0.2 5,-0.3 0.938 110.0 48.0 -62.9 -49.2 -2.8 22.1 27.5 99 99 A V H 3< S+ 0 0 6 -4,-2.8 5,-0.4 1,-0.3 3,-0.4 0.712 110.4 54.4 -69.3 -17.4 -5.2 24.7 26.1 100 100 A S T 3< S+ 0 0 48 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.456 82.6 93.0 -87.5 -2.7 -7.3 24.5 29.2 101 101 A D S < S- 0 0 116 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 0.510 108.5 -88.4 -79.0 -8.5 -4.4 25.2 31.6 102 102 A G S S+ 0 0 65 -3,-0.4 -3,-0.1 -4,-0.1 -1,-0.1 -0.064 115.5 66.3 132.2 -39.7 -4.8 28.9 31.8 103 103 A N S > S- 0 0 125 -5,-0.3 3,-1.7 1,-0.3 -3,-0.1 0.335 82.3-150.7-100.1 5.8 -2.9 30.5 28.9 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.267 67.4 -17.6 65.2-146.4 -4.9 29.1 26.1 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.523 115.3 92.1 -77.5 -0.3 -3.1 28.6 22.8 106 106 A N G < + 0 0 53 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.668 67.4 80.6 -63.7 -13.1 -0.3 30.9 24.0 107 107 A A G < S+ 0 0 59 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.782 83.5 67.4 -57.8 -29.7 1.2 27.6 25.2 108 108 A W S X> S- 0 0 9 -3,-2.1 4,-2.2 1,-0.2 3,-0.6 -0.824 73.2-163.5 -96.2 103.9 2.3 27.1 21.6 109 109 A V H 3> S+ 0 0 76 -2,-0.9 4,-2.6 1,-0.3 5,-0.2 0.891 89.7 55.1 -57.4 -36.6 4.9 29.8 21.0 110 110 A A H 3> S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.843 106.7 51.1 -64.3 -36.2 4.5 29.3 17.2 111 111 A W H <>>S+ 0 0 12 -3,-0.6 5,-3.1 -6,-0.2 4,-2.4 0.946 111.6 47.3 -63.4 -46.9 0.8 29.9 17.4 112 112 A R H <5S+ 0 0 112 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.912 120.9 37.3 -61.6 -41.8 1.4 33.1 19.4 113 113 A N H <5S+ 0 0 103 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.760 133.0 19.5 -85.8 -22.3 4.0 34.3 16.9 114 114 A R H <5S+ 0 0 140 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.556 130.7 28.4-127.2 -12.0 2.6 33.1 13.6 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.0 -5,-0.4 -3,-0.2 0.701 85.4 101.5-121.4 -43.8 -1.1 32.4 13.9 116 116 A K T 3 + 0 0 91 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.542 53.1 170.1 -80.4 80.3 -6.8 35.2 9.2 120 120 A V G > + 0 0 14 -2,-2.1 3,-2.0 1,-0.3 4,-0.3 0.711 63.0 77.9 -67.7 -20.7 -6.7 31.6 10.5 121 121 A Q G >> S+ 0 0 116 1,-0.3 3,-1.9 2,-0.2 4,-0.8 0.809 79.9 74.0 -56.6 -27.6 -9.9 30.7 8.6 122 122 A A G X4 S+ 0 0 46 -3,-1.4 3,-0.6 1,-0.3 -1,-0.3 0.830 85.3 64.9 -52.8 -31.5 -7.6 30.6 5.5 123 123 A W G <4 S+ 0 0 52 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.702 110.6 33.6 -69.9 -17.5 -6.2 27.3 6.9 124 124 A I G X4 S+ 0 0 40 -3,-1.9 3,-1.9 -4,-0.3 -1,-0.2 0.388 86.7 130.3-117.6 3.6 -9.5 25.5 6.5 125 125 A R T << S+ 0 0 120 -4,-0.8 3,-0.1 -3,-0.6 -119,-0.1 -0.331 76.6 13.7 -62.7 134.8 -10.7 27.3 3.3 126 126 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.281 94.8 136.8 85.9 -9.5 -11.9 24.9 0.6 127 127 A a < - 0 0 21 -3,-1.9 2,-0.9 1,-0.1 -1,-0.3 -0.520 53.7-143.8 -79.5 135.1 -12.0 21.9 2.9 128 128 A R 0 0 230 -2,-0.3 -118,-0.1 -3,-0.1 -1,-0.1 -0.859 360.0 360.0 -87.1 108.9 -14.8 19.4 3.0 129 129 A L 0 0 89 -2,-0.9 -1,-0.1 -120,-0.1 -2,-0.1 -0.220 360.0 360.0 -89.7 360.0 -14.8 18.9 6.7