==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-12 4AXT . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR F.CIPRIANI,M.ROWER,C.LANDRET,U.ZANDER,F.FELISAZ,J.A.MARQUEZ . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6607.0 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 20.9 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 90 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 135.2 2.0 10.3 9.1 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.916 360.0-151.9-103.0 109.9 2.0 13.6 7.2 3 3 A F - 0 0 12 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.521 11.0-122.0 -75.0 148.3 -1.6 14.9 7.2 4 4 A G > - 0 0 35 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.540 32.9-108.3 -75.7 160.3 -3.1 17.1 4.6 5 5 A R H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.938 118.0 37.3 -57.0 -54.9 -4.6 20.3 5.9 6 6 A a H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 114.1 58.2 -71.0 -33.0 -8.3 19.4 5.4 7 7 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.925 109.3 43.7 -59.6 -44.5 -7.6 15.9 6.4 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.901 109.8 56.3 -69.6 -40.8 -6.2 17.0 9.8 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.927 108.9 47.9 -53.9 -46.2 -9.1 19.5 10.2 10 10 A A H X S+ 0 0 49 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 112.0 48.5 -63.5 -40.7 -11.5 16.7 9.8 11 11 A A H X S+ 0 0 16 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.901 112.1 49.4 -67.6 -40.8 -9.7 14.4 12.3 12 12 A M H <>S+ 0 0 1 -4,-2.7 5,-2.4 1,-0.2 6,-0.4 0.925 111.8 48.7 -64.8 -40.2 -9.5 17.3 14.9 13 13 A K H ><5S+ 0 0 81 -4,-2.5 3,-2.0 -5,-0.2 -2,-0.2 0.924 107.9 53.6 -64.3 -47.3 -13.2 18.0 14.5 14 14 A R H 3<5S+ 0 0 191 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.864 108.4 51.3 -58.7 -34.2 -14.1 14.4 14.9 15 15 A H T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.268 120.4-107.8 -88.8 14.6 -12.1 14.3 18.2 16 16 A G T < 5S+ 0 0 32 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.702 82.3 124.4 78.9 17.4 -13.9 17.4 19.5 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.1 -6,-0.1 2,-0.3 0.733 40.5 102.8 -82.5 -27.9 -11.1 19.9 19.2 18 18 A D T 3 S- 0 0 42 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.469 101.8 -2.5 -61.8 127.4 -13.0 22.4 17.1 19 19 A N T > S+ 0 0 105 4,-1.8 3,-2.0 -2,-0.3 -1,-0.3 0.534 91.6 157.6 65.8 13.5 -14.2 25.3 19.3 20 20 A Y B X S-B 23 0B 70 -3,-2.1 3,-2.1 3,-0.6 -1,-0.3 -0.471 76.9 -1.7 -70.4 128.8 -12.6 23.6 22.4 21 21 A R T 3 S- 0 0 154 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.747 134.8 -62.9 56.5 27.3 -12.0 26.3 25.0 22 22 A G T < S+ 0 0 69 -3,-2.0 2,-0.7 1,-0.2 -1,-0.3 0.519 102.5 133.6 79.5 7.6 -13.3 28.7 22.4 23 23 A Y B < -B 20 0B 47 -3,-2.1 -4,-1.8 -6,-0.2 -3,-0.6 -0.829 51.7-134.2 -98.9 114.1 -10.6 28.0 19.8 24 24 A S >> - 0 0 43 -2,-0.7 3,-1.3 -5,-0.2 4,-1.1 -0.121 26.8-102.3 -62.0 160.2 -12.0 27.6 16.4 25 25 A L H 3> S+ 0 0 11 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.856 119.3 60.8 -56.0 -38.5 -10.7 24.7 14.2 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.820 99.7 56.7 -60.6 -35.7 -8.5 27.0 12.1 27 27 A N H <> S+ 0 0 22 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.905 109.9 44.6 -58.7 -44.1 -6.5 27.9 15.2 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.875 114.3 48.0 -68.0 -43.3 -5.7 24.2 15.8 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.927 112.7 49.3 -64.6 -44.2 -4.8 23.5 12.2 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.924 110.3 51.0 -61.5 -43.1 -2.6 26.7 12.1 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.932 111.7 47.0 -61.3 -43.9 -0.9 25.6 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 6,-1.3 0.900 108.2 56.8 -63.7 -40.7 -0.2 22.1 13.9 33 33 A K H X5S+ 0 0 60 -4,-2.6 4,-1.5 4,-0.2 -1,-0.2 0.946 116.6 33.5 -54.6 -52.8 1.1 23.6 10.6 34 34 A F H <5S+ 0 0 58 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.743 120.0 49.4 -85.4 -19.9 3.7 25.6 12.4 35 35 A E H <5S- 0 0 40 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.919 138.1 -4.1 -75.3 -46.4 4.5 23.2 15.2 36 36 A S H ><5S- 0 0 10 -4,-2.4 3,-1.5 19,-0.5 -3,-0.2 0.396 83.8-116.9-129.4 -5.8 5.0 20.1 13.1 37 37 A N T 3< - 0 0 47 4,-2.9 3,-2.2 -2,-0.4 -1,-0.0 -0.555 24.9-108.4 -94.1 160.1 14.8 21.7 23.7 47 47 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.815 117.6 58.0 -55.7 -32.8 17.8 23.4 25.3 48 48 A D T 3 S- 0 0 85 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.479 121.1-103.9 -76.4 -5.4 16.7 22.1 28.7 49 49 A G S < S+ 0 0 20 -3,-2.2 -2,-0.1 1,-0.4 2,-0.1 0.322 84.3 121.9 95.0 -10.9 16.8 18.5 27.6 50 50 A S - 0 0 1 19,-0.1 -4,-2.9 -5,-0.0 -1,-0.4 -0.379 52.4-139.2 -70.5 167.0 13.0 18.1 27.3 51 51 A T E -C 45 0C 8 -6,-0.2 9,-2.5 -3,-0.1 2,-0.4 -0.984 2.4-137.5-132.7 145.2 11.6 17.0 23.9 52 52 A D E -CD 44 59C 27 -8,-2.9 -8,-1.8 -2,-0.3 2,-0.4 -0.846 27.7-159.8-100.7 136.7 8.5 18.2 22.0 53 53 A Y E > -CD 43 58C 27 5,-2.1 5,-2.2 -2,-0.4 3,-0.4 -0.960 30.6 -17.4-127.5 136.0 6.5 15.4 20.3 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.8 -2,-0.4 30,-0.2 -0.166 98.7 -27.4 85.3-169.4 3.9 15.0 17.6 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.5 1,-0.3 -17,-0.3 0.767 140.8 34.2 -61.6 -24.8 1.6 17.1 15.5 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.168 106.3-122.1-116.4 13.6 1.2 19.7 18.3 57 57 A Q T < 5 - 0 0 15 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.903 36.4-166.8 52.2 55.1 4.8 19.5 19.7 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.1 -6,-0.1 2,-0.3 -0.568 16.2-123.0 -83.8 133.3 3.7 18.6 23.2 59 59 A N E >> -D 52 0C 27 -2,-0.3 4,-2.3 -7,-0.2 3,-1.1 -0.586 7.4-145.6 -95.1 136.8 6.6 18.8 25.7 60 60 A S T 34 S+ 0 0 0 -9,-2.5 6,-0.2 -2,-0.3 9,-0.1 0.593 89.8 79.6 -70.1 -11.6 7.9 16.1 28.0 61 61 A R T 34 S- 0 0 49 11,-0.2 12,-2.3 -10,-0.1 -1,-0.2 0.844 120.5 -2.3 -62.9 -35.4 8.7 18.6 30.8 62 62 A W T <4 S+ 0 0 134 -3,-1.1 13,-2.8 10,-0.2 -2,-0.2 0.683 131.7 43.7-121.4 -38.3 5.1 18.6 31.8 63 63 A W S < S+ 0 0 25 -4,-2.3 13,-1.9 11,-0.3 15,-0.3 0.695 104.0 19.6-109.4 -23.9 2.8 16.5 29.7 64 64 A c - 0 0 0 -5,-0.4 2,-0.6 9,-0.4 -1,-0.1 -0.956 68.8-110.0-145.5 162.5 4.2 13.0 28.8 65 65 A N B +e 79 0D 79 13,-2.6 15,-2.5 -2,-0.3 16,-0.4 -0.871 37.0 155.6 -98.7 125.5 6.8 10.5 29.9 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.310 52.7-124.5-121.4 1.0 9.9 9.9 27.9 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.484 95.8 76.9 74.5 -0.8 12.2 8.6 30.7 68 68 A R + 0 0 105 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.031 65.7 85.6-137.2 29.9 14.8 11.2 29.8 69 69 A T S > S- 0 0 6 -9,-0.1 3,-2.0 3,-0.0 -2,-0.1 -0.726 72.4-142.4-129.0 83.7 13.5 14.5 31.2 70 70 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.148 81.1 8.0 -55.0 135.4 14.6 14.7 35.0 71 71 A G T 3 S+ 0 0 84 1,-0.3 -10,-0.0 0, 0.0 0, 0.0 0.375 99.3 139.5 75.4 5.7 12.2 16.3 37.4 72 72 A S < - 0 0 35 -3,-2.0 -1,-0.3 1,-0.1 -10,-0.2 -0.214 44.7-134.1 -76.9 167.1 9.5 16.3 34.7 73 73 A R - 0 0 143 -12,-2.3 -9,-0.4 -13,-0.1 -1,-0.1 -0.576 4.5-146.2-107.8 174.2 5.9 15.5 35.1 74 74 A N > + 0 0 51 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.568 30.3 161.7-137.2 66.1 3.5 13.4 33.0 75 75 A L T 3 S+ 0 0 62 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.749 75.7 52.1 -75.0 -19.0 0.2 15.2 33.3 76 76 A d T 3 S- 0 0 10 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.513 104.7-132.6 -88.1 -3.7 -1.4 13.6 30.3 77 77 A N < + 0 0 133 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.917 64.5 113.1 55.3 47.8 -0.5 10.1 31.7 78 78 A I S S- 0 0 31 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.994 74.3-103.4-143.1 150.6 1.0 8.8 28.5 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.558 36.2-124.1 -66.1 142.4 4.3 7.8 27.0 80 80 A c G > S+ 0 0 2 -15,-2.5 3,-2.0 1,-0.3 4,-0.1 0.842 109.0 69.8 -59.4 -29.7 5.5 10.6 24.7 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.9 1,-0.3 4,-0.3 0.783 85.4 68.5 -58.0 -27.7 5.7 8.0 21.9 82 82 A A G X S+ 0 0 29 -3,-1.9 3,-0.7 1,-0.3 9,-0.3 0.750 90.9 62.8 -61.5 -24.8 1.9 7.9 21.9 83 83 A L G < S+ 0 0 1 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.433 96.3 58.8 -78.5 -2.0 2.0 11.5 20.6 84 84 A L G < S+ 0 0 42 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.440 79.8 119.2-104.7 -1.4 3.8 10.3 17.4 85 85 A S S < S- 0 0 53 -3,-0.7 6,-0.1 -4,-0.3 -3,-0.0 -0.169 73.6-122.1 -64.4 155.3 1.1 7.8 16.3 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.5 -45,-0.0 -1,-0.1 0.837 102.0 74.2 -63.4 -31.1 -0.7 8.1 13.0 87 87 A D S S- 0 0 85 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.761 74.9-155.4 -85.3 121.6 -3.9 8.3 15.1 88 88 A I > + 0 0 6 -2,-0.5 4,-2.6 1,-0.2 5,-0.3 0.412 62.9 107.1 -85.3 6.3 -4.1 11.7 16.7 89 89 A T H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 80.7 46.1 -52.1 -51.0 -6.4 10.7 19.6 90 90 A A H > S+ 0 0 25 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.928 113.6 49.2 -62.9 -43.7 -3.6 10.9 22.3 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.899 113.1 47.2 -59.1 -43.4 -2.4 14.3 21.0 92 92 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.938 111.6 49.7 -65.1 -46.1 -5.9 15.7 21.0 93 93 A N H X S+ 0 0 73 -4,-2.8 4,-1.2 -5,-0.3 -2,-0.2 0.897 115.2 44.3 -61.5 -39.5 -6.7 14.5 24.5 94 94 A d H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 3,-0.4 0.920 109.4 55.2 -73.8 -38.6 -3.5 15.9 25.8 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.866 103.0 57.7 -59.2 -37.0 -3.9 19.2 23.9 96 96 A K H X S+ 0 0 43 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.905 108.7 46.1 -60.3 -39.0 -7.3 19.6 25.6 97 97 A K H >< S+ 0 0 98 -4,-1.2 3,-0.7 -3,-0.4 4,-0.2 0.936 113.1 49.3 -66.7 -44.5 -5.6 19.4 29.0 98 98 A I H >< S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.935 110.5 48.7 -60.3 -47.8 -2.9 21.8 28.0 99 99 A V H 3< S+ 0 0 4 -4,-2.7 5,-0.4 1,-0.3 3,-0.4 0.648 109.0 55.2 -72.4 -12.9 -5.3 24.5 26.6 100 100 A S T << S+ 0 0 33 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.374 81.8 92.8 -89.9 -4.1 -7.3 24.2 29.8 101 101 A D S < S- 0 0 113 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.479 109.0 -90.5 -80.4 -6.7 -4.3 25.0 32.0 102 102 A G S S+ 0 0 65 -3,-0.4 -3,-0.1 -4,-0.1 -1,-0.1 -0.093 114.1 70.6 129.5 -26.6 -4.9 28.8 32.2 103 103 A N S > S- 0 0 125 -5,-0.3 3,-1.8 1,-0.3 4,-0.1 0.320 80.6-151.2-104.4 7.4 -3.0 30.3 29.2 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.242 68.1 -17.7 57.6-141.5 -5.1 29.0 26.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 7,-0.3 0.558 115.5 91.7 -79.3 -1.4 -3.3 28.4 23.2 106 106 A N G < + 0 0 52 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.682 68.0 81.0 -63.3 -14.0 -0.4 30.7 24.3 107 107 A A G < S+ 0 0 53 -3,-1.4 2,-0.8 1,-0.1 -1,-0.3 0.733 83.7 67.1 -56.2 -27.5 1.0 27.3 25.5 108 108 A W S <> S- 0 0 9 -3,-2.3 4,-2.3 1,-0.2 3,-0.5 -0.877 72.2-162.8-101.5 107.6 2.1 26.8 21.9 109 109 A V H > S+ 0 0 80 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.878 90.1 54.4 -59.9 -39.6 4.7 29.3 21.1 110 110 A A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 5,-0.4 0.832 107.8 52.2 -66.1 -34.2 4.3 28.9 17.3 111 111 A W H >>S+ 0 0 12 -3,-0.5 5,-3.0 -6,-0.2 4,-2.3 0.950 111.5 45.3 -61.8 -49.6 0.6 29.6 17.7 112 112 A R H <5S+ 0 0 95 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.919 122.3 37.3 -59.0 -43.1 1.3 32.8 19.6 113 113 A N H <5S+ 0 0 106 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.698 132.7 20.0 -85.5 -20.1 3.9 33.9 17.1 114 114 A R H <5S+ 0 0 142 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.513 131.4 27.3-129.1 -12.9 2.5 32.7 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 -3,-0.2 0.724 85.9 99.7-121.4 -45.2 -1.3 32.2 14.2 116 116 A K T 3 + 0 0 113 1,-0.2 3,-1.5 -2,-0.2 4,-0.3 -0.499 54.6 168.4 -75.7 77.9 -6.8 34.9 9.5 120 120 A V G > + 0 0 17 -2,-2.2 3,-1.8 1,-0.3 4,-0.3 0.760 63.6 74.9 -72.2 -18.9 -6.8 31.5 10.9 121 121 A Q G >> S+ 0 0 105 1,-0.3 3,-1.9 -3,-0.2 4,-0.7 0.795 79.5 75.1 -63.8 -22.1 -9.9 30.5 9.1 122 122 A A G X4 S+ 0 0 30 -3,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.804 85.6 65.2 -54.6 -30.5 -7.8 30.4 5.9 123 123 A W G <4 S+ 0 0 55 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.709 111.6 31.7 -70.3 -18.9 -6.4 27.1 7.3 124 124 A I G X4 S+ 0 0 37 -3,-1.9 3,-1.8 -4,-0.3 -1,-0.3 0.366 90.2 127.9-113.0 1.6 -9.8 25.4 7.0 125 125 A R T << S+ 0 0 118 -4,-0.7 3,-0.1 -3,-0.6 -119,-0.1 -0.317 77.4 14.4 -65.6 137.9 -11.0 27.3 4.0 126 126 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.213 94.4 131.7 87.5 -20.8 -12.2 25.1 1.2 127 127 A a < - 0 0 18 -3,-1.8 2,-1.9 1,-0.1 -1,-0.3 -0.438 63.9-122.5 -76.0 143.3 -12.4 22.0 3.4 128 128 A R 0 0 247 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 -0.401 360.0 360.0 -81.0 77.9 -15.5 19.9 3.3 129 129 A L 0 0 98 -2,-1.9 -1,-0.2 -5,-0.2 -2,-0.0 0.990 360.0 360.0-102.6 360.0 -16.3 20.1 7.0