==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-01 1IOT . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.OHMURA,T.UEDA,K.OOTSUKA,M.SAITO,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 86 0, 0.0 39,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.4 2.4 10.5 9.2 2 2 A V B -A 39 0A 98 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.912 360.0-146.4-103.0 109.5 2.4 13.8 7.4 3 3 A F - 0 0 14 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.336 8.3-123.3 -73.7 157.7 -1.2 15.1 7.4 4 4 A G > - 0 0 33 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.616 31.3-109.6 -91.8 161.4 -2.8 17.1 4.6 5 5 A R H > S+ 0 0 84 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.959 117.0 35.6 -57.4 -56.3 -4.2 20.5 5.6 6 6 A a H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.815 114.4 58.5 -70.3 -29.3 -7.9 19.6 5.2 7 7 A E H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 110.0 42.9 -64.3 -46.2 -7.3 16.0 6.4 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.906 109.9 56.6 -65.9 -44.0 -6.0 17.3 9.7 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.931 110.8 45.7 -51.9 -47.6 -8.8 20.0 10.0 10 10 A A H X S+ 0 0 42 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.875 112.4 48.9 -65.3 -43.2 -11.3 17.2 9.7 11 11 A A H X S+ 0 0 12 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.909 112.8 48.4 -65.6 -39.9 -9.6 14.9 12.2 12 12 A L H <>S+ 0 0 7 -4,-3.0 5,-2.4 2,-0.2 6,-0.3 0.907 111.9 49.5 -64.8 -42.0 -9.2 17.7 14.7 13 13 A K H ><5S+ 0 0 79 -4,-2.3 3,-2.0 -5,-0.3 5,-0.3 0.933 109.2 51.3 -62.9 -45.6 -12.9 18.6 14.3 14 14 A R H 3<5S+ 0 0 190 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 106.6 56.5 -62.2 -30.9 -14.0 15.0 14.7 15 15 A H T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.243 123.9-103.3 -86.8 14.0 -11.9 15.0 17.9 16 16 A G T < 5S+ 0 0 39 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.651 84.5 123.4 78.1 19.8 -13.8 17.9 19.4 17 17 A L > < + 0 0 0 -5,-2.4 3,-1.9 -6,-0.1 2,-0.4 0.685 34.5 107.8 -87.1 -18.1 -11.3 20.7 18.8 18 18 A D T 3 S- 0 0 67 -6,-0.3 6,-0.2 -5,-0.3 4,-0.1 -0.484 106.1 -9.9 -64.1 114.7 -13.4 23.1 16.7 19 19 A N T > S+ 0 0 97 4,-1.4 3,-1.9 -2,-0.4 -1,-0.3 0.610 88.5 164.5 70.1 18.7 -14.1 25.9 19.2 20 20 A Y B X S-B 23 0B 51 -3,-1.9 3,-1.9 3,-0.7 -1,-0.2 -0.511 78.5 -4.7 -69.4 126.8 -12.7 24.1 22.2 21 21 A R T 3 S- 0 0 134 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.809 135.7 -57.1 57.8 30.9 -12.1 26.7 24.9 22 22 A G T < S+ 0 0 64 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.476 105.3 129.7 83.6 1.0 -13.1 29.4 22.4 23 23 A Y B < -B 20 0B 48 -3,-1.9 -4,-1.4 -6,-0.1 -3,-0.7 -0.799 51.1-139.1 -98.0 111.6 -10.5 28.5 19.8 24 24 A S >> - 0 0 37 -2,-0.7 3,-1.6 -5,-0.2 4,-0.9 -0.165 28.0-103.6 -61.1 159.9 -11.8 28.0 16.3 25 25 A L H 3> S+ 0 0 3 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.814 117.6 65.3 -52.9 -40.3 -10.4 25.2 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.807 97.3 56.6 -55.4 -33.8 -8.3 27.5 12.1 27 27 A N H <> S+ 0 0 21 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.913 108.6 45.9 -63.6 -43.7 -6.2 28.3 15.2 28 28 A W H X S+ 0 0 1 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.861 113.8 47.3 -68.5 -40.9 -5.4 24.5 15.7 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 113.0 49.5 -69.3 -39.6 -4.5 23.9 12.1 30 30 A b H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.926 112.2 48.2 -64.1 -46.6 -2.3 27.0 12.0 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.880 111.0 50.0 -61.6 -40.0 -0.5 26.0 15.2 32 32 A A H X>S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 6,-1.1 0.930 108.6 54.6 -63.9 -45.7 0.0 22.4 13.9 33 33 A K H X5S+ 0 0 62 -4,-2.3 4,-1.2 4,-0.2 -2,-0.2 0.933 116.7 34.7 -52.3 -53.4 1.5 23.8 10.6 34 34 A F H <5S+ 0 0 60 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.799 118.6 50.5 -79.5 -25.4 4.1 25.9 12.3 35 35 A E H <5S- 0 0 31 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.937 139.0 -7.7 -76.9 -43.6 4.8 23.6 15.2 36 36 A S H ><5S- 0 0 11 -4,-2.6 3,-1.0 19,-0.4 -3,-0.2 0.403 85.1-115.2-133.4 -5.5 5.5 20.4 13.2 37 37 A N T 3< - 0 0 54 4,-3.2 3,-1.7 -2,-0.4 -1,-0.0 -0.562 23.5-111.1-101.0 164.1 15.1 22.2 24.0 47 47 A T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.865 115.2 61.3 -61.5 -35.8 18.0 23.9 25.9 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.458 122.2-105.5 -72.4 3.7 16.6 22.9 29.3 49 49 A G S < S+ 0 0 24 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.334 84.9 118.6 91.8 -11.1 17.0 19.3 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.1 2,-0.3 -0.296 53.0-139.9 -80.2 175.6 13.3 18.6 27.7 51 51 A T E -C 45 0C 4 -6,-0.3 9,-2.3 -3,-0.1 2,-0.4 -0.980 4.0-132.9-140.0 146.4 11.9 17.6 24.2 52 52 A D E -CD 44 59C 27 -8,-3.2 -8,-1.6 -2,-0.3 2,-0.4 -0.879 27.3-157.3-101.3 137.5 8.7 18.6 22.2 53 53 A Y E > -CD 43 58C 25 5,-2.4 5,-2.1 -2,-0.4 3,-0.4 -0.932 32.2 -17.0-126.0 136.7 6.7 15.7 20.6 54 54 A G T > 5S- 0 0 0 -12,-2.2 3,-1.8 -2,-0.4 30,-0.2 -0.064 96.9 -32.1 83.2-175.0 4.3 15.3 17.8 55 55 A I T 3 5S+ 0 0 5 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.749 141.2 35.7 -56.3 -31.1 2.1 17.3 15.6 56 56 A L T 3 5S- 0 0 4 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.277 106.3-125.1-108.6 8.6 1.4 19.9 18.4 57 57 A Q T < 5 - 0 0 12 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.894 33.4-165.9 48.6 57.6 4.9 19.7 19.9 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.4 -6,-0.1 2,-0.3 -0.542 18.4-117.2 -78.3 133.3 3.9 18.9 23.4 59 59 A N E >>> -D 52 0C 27 -2,-0.3 4,-2.0 -7,-0.2 3,-0.7 -0.521 7.7-148.2 -80.4 137.2 6.7 19.3 26.0 60 60 A S T 345S+ 0 0 0 -9,-2.3 14,-0.4 -2,-0.3 6,-0.2 0.606 89.4 74.2 -75.4 -16.8 8.2 16.5 28.2 61 61 A R T 345S+ 0 0 54 -10,-0.2 12,-1.8 11,-0.2 -1,-0.2 0.875 121.6 1.8 -66.1 -33.5 8.9 18.8 31.2 62 62 A W T <45S+ 0 0 124 -3,-0.7 13,-3.5 10,-0.3 -2,-0.2 0.720 132.0 42.5-122.5 -34.4 5.2 18.9 32.2 63 63 A W T <5S+ 0 0 28 -4,-2.0 13,-2.2 11,-0.3 15,-0.4 0.807 107.8 16.8 -95.9 -33.3 3.0 16.8 29.9 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 11,-0.1 10,-0.5 -0.914 67.5-115.4-139.7 161.8 4.4 13.4 29.0 65 65 A N B +e 79 0D 77 13,-2.6 15,-2.6 -2,-0.3 16,-0.3 -0.900 31.3 164.2-103.3 125.4 7.1 11.1 30.3 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.273 52.4-120.3-114.9 3.0 10.1 10.4 28.0 67 67 A G S S+ 0 0 64 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.466 98.8 71.7 73.2 4.6 12.2 8.9 30.7 68 68 A R + 0 0 120 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.055 67.5 90.0-139.1 26.2 15.0 11.5 30.3 69 69 A T > - 0 0 10 -9,-0.1 3,-2.1 -19,-0.0 -2,-0.1 -0.866 69.6-141.5-126.3 93.2 13.6 14.8 31.6 70 70 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.351 87.6 17.7 -56.1 127.1 14.5 15.1 35.3 71 71 A G T 3 S+ 0 0 69 1,-0.2 -10,-0.0 -2,-0.0 0, 0.0 0.482 85.2 160.4 89.5 1.0 11.6 16.7 37.2 72 72 A S < - 0 0 30 -3,-2.1 -10,-0.3 1,-0.1 -1,-0.2 -0.245 30.3-155.7 -53.4 143.2 9.1 16.0 34.4 73 73 A R - 0 0 157 -12,-1.8 -11,-0.2 -13,-0.1 -1,-0.1 0.659 10.2-152.3 -98.4 -18.5 5.5 16.2 35.7 74 74 A N > + 0 0 38 -10,-0.5 3,-1.8 -14,-0.4 -11,-0.3 0.849 24.3 170.9 44.8 51.3 3.7 14.0 33.1 75 75 A L T 3 S+ 0 0 62 -13,-3.5 -12,-0.2 1,-0.3 -11,-0.1 0.695 74.2 52.2 -62.9 -23.8 0.3 15.7 33.5 76 76 A d T 3 S- 0 0 11 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.446 104.2-133.1 -91.3 -2.4 -1.2 13.9 30.5 77 77 A N < + 0 0 137 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.892 63.8 113.3 52.6 53.6 -0.1 10.6 32.0 78 78 A I S S- 0 0 33 -15,-0.4 -13,-2.6 12,-0.0 2,-0.3 -0.983 73.6-104.5-148.9 152.7 1.3 9.2 28.8 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.635 37.7-121.7 -76.5 142.3 4.7 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-1.6 -2,-0.3 4,-0.2 0.803 108.5 67.8 -55.2 -28.5 5.9 10.9 25.0 81 81 A S G > S+ 0 0 83 -16,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.768 86.1 68.5 -64.3 -24.8 6.2 8.3 22.2 82 82 A A G X S+ 0 0 35 -3,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.771 92.1 62.4 -64.7 -22.9 2.4 7.9 22.2 83 83 A L G < S+ 0 0 3 -3,-1.6 -28,-0.5 -4,-0.4 -1,-0.3 0.523 94.5 60.6 -79.6 -6.4 2.3 11.5 20.8 84 84 A L G < S+ 0 0 45 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.385 79.5 117.9-101.7 0.7 4.1 10.5 17.7 85 85 A S S < S- 0 0 54 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.196 74.8-122.8 -65.0 156.3 1.5 8.0 16.5 86 86 A S S S+ 0 0 75 2,-0.0 2,-0.7 -45,-0.0 -1,-0.1 0.757 100.6 79.6 -71.6 -23.4 -0.4 8.4 13.2 87 87 A D S S- 0 0 93 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.775 72.7-159.9 -83.5 118.0 -3.6 8.3 15.4 88 88 A I > + 0 0 6 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.441 60.6 105.8 -83.6 5.5 -3.8 11.8 16.8 89 89 A T H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 80.3 44.8 -52.0 -50.7 -6.1 11.0 19.7 90 90 A A H > S+ 0 0 27 -3,-0.5 4,-2.6 -8,-0.2 5,-0.2 0.923 113.4 50.7 -62.3 -43.3 -3.5 11.2 22.5 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.931 113.3 46.8 -59.1 -44.6 -2.1 14.5 21.2 92 92 A V H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.931 111.9 48.9 -64.7 -45.0 -5.6 15.9 21.0 93 93 A N H X S+ 0 0 75 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.904 114.4 45.9 -62.4 -41.3 -6.5 14.7 24.5 94 94 A d H >X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 3,-0.5 0.914 109.2 54.6 -67.6 -41.6 -3.3 16.1 26.0 95 95 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.867 101.6 59.7 -60.7 -36.3 -3.7 19.5 24.1 96 96 A K H 3X S+ 0 0 46 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.896 108.0 45.1 -59.3 -38.1 -7.2 19.8 25.6 97 97 A K H << S+ 0 0 106 -4,-1.1 4,-0.4 -3,-0.5 -2,-0.2 0.898 113.2 50.3 -71.1 -41.7 -5.6 19.8 29.1 98 98 A I H >< S+ 0 0 8 -4,-2.1 3,-1.7 1,-0.2 5,-0.3 0.959 110.2 48.2 -61.8 -50.1 -2.8 22.2 28.0 99 99 A V H 3< S+ 0 0 5 -4,-3.1 3,-0.5 1,-0.3 5,-0.4 0.727 109.9 54.2 -66.1 -20.2 -5.2 24.8 26.5 100 100 A S T 3< S+ 0 0 51 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.519 81.1 96.6 -88.9 -5.7 -7.3 24.6 29.7 101 101 A D S < S- 0 0 111 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 0.498 105.7 -99.4 -64.8 -7.1 -4.3 25.3 31.9 102 102 A G S S+ 0 0 73 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 0.052 112.5 74.9 113.4 -26.7 -5.1 29.0 32.1 103 103 A N S > S- 0 0 95 -5,-0.3 3,-1.6 1,-0.3 4,-0.1 0.341 82.1-155.3 -99.8 5.6 -2.8 30.5 29.4 104 104 A G G > - 0 0 9 -5,-0.4 3,-1.2 1,-0.2 -1,-0.3 -0.195 62.7 -19.8 55.8-144.3 -4.9 29.3 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.512 116.6 90.3 -75.7 -2.0 -3.1 28.7 23.2 106 106 A N G < + 0 0 31 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.652 68.7 80.4 -66.2 -14.9 -0.3 31.0 24.3 107 107 A A G < S+ 0 0 54 -3,-1.2 2,-0.7 -4,-0.1 -1,-0.3 0.652 82.9 69.1 -62.9 -21.9 1.2 27.8 25.6 108 108 A W S X> S- 0 0 9 -3,-2.0 4,-2.4 1,-0.2 3,-0.5 -0.894 72.7-160.6-103.9 108.7 2.3 27.2 22.0 109 109 A V H 3> S+ 0 0 75 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.839 90.6 53.0 -57.1 -37.0 5.0 29.7 21.0 110 110 A A H 3> S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.887 109.4 50.0 -69.1 -31.8 4.5 29.3 17.3 111 111 A W H <>>S+ 0 0 12 -3,-0.5 5,-2.9 -6,-0.2 4,-2.5 0.961 112.3 47.2 -67.3 -49.1 0.8 30.0 17.7 112 112 A R H <5S+ 0 0 104 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.931 121.3 36.2 -58.8 -44.7 1.5 33.1 19.7 113 113 A N H <5S+ 0 0 116 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.724 133.2 19.8 -85.0 -20.6 4.1 34.4 17.2 114 114 A R H <5S+ 0 0 142 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.545 129.4 30.5-127.8 -11.4 2.6 33.3 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.4 -3,-0.2 0.733 85.6 101.0-114.1 -44.7 -1.1 32.6 14.2 116 116 A K T 3 + 0 0 86 -2,-0.2 3,-1.5 1,-0.2 4,-0.2 -0.557 51.3 171.8 -79.7 82.4 -6.8 35.5 9.6 120 120 A V G > + 0 0 8 -2,-2.1 3,-1.7 1,-0.3 4,-0.3 0.704 64.5 80.0 -65.7 -17.8 -6.7 31.9 10.9 121 121 A Q G >> S+ 0 0 112 1,-0.3 3,-1.7 -3,-0.2 4,-0.6 0.820 77.8 71.2 -58.9 -29.7 -9.9 31.2 8.9 122 122 A A G X4 S+ 0 0 37 -3,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.808 85.6 68.7 -58.3 -27.4 -7.7 30.9 5.8 123 123 A W G <4 S+ 0 0 55 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.654 106.6 34.8 -69.0 -18.5 -6.3 27.6 7.2 124 124 A I G X4 S+ 0 0 50 -3,-1.7 3,-1.9 -4,-0.3 -1,-0.2 0.380 86.4 129.7-115.3 3.4 -9.6 25.7 6.7 125 125 A R T << S+ 0 0 162 -3,-0.7 3,-0.1 -4,-0.6 -119,-0.1 -0.290 75.3 16.2 -60.3 135.4 -10.7 27.4 3.5 126 126 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -120,-0.0 2,-0.3 0.378 95.8 128.6 84.1 -5.7 -11.7 25.0 0.8 127 127 A a < - 0 0 22 -3,-1.9 2,-1.0 1,-0.0 -1,-0.3 -0.609 62.0-127.4 -88.4 146.8 -12.0 22.0 3.1 128 128 A R 0 0 238 -2,-0.3 -118,-0.1 1,-0.2 -1,-0.0 -0.800 360.0 360.0 -90.5 104.7 -15.0 19.8 3.3 129 129 A L 0 0 99 -2,-1.0 -1,-0.2 -5,-0.0 -5,-0.0 0.669 360.0 360.0-124.4 360.0 -15.9 19.8 7.0