==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-OCT-10 2XTH . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.R.HELLIWELL,A.M.T.BELL,P.BRYANT,S.FISHER,J.HABASH,M.HELLIW . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 25 19.4 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 . 4 3.1 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,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.2 2.1 10.1 8.7 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.922 360.0-149.9-104.1 110.3 2.1 13.4 6.8 3 3 A F - 0 0 12 35,-2.6 2,-0.2 -2,-0.7 3,-0.0 -0.456 12.3-120.4 -75.7 147.2 -1.5 14.7 6.6 4 4 A G > - 0 0 37 -2,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.518 34.3-108.3 -70.6 157.6 -2.8 16.8 3.8 5 5 A R H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.953 119.1 37.8 -54.0 -59.9 -4.1 20.2 5.0 6 6 A a H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.822 114.0 57.9 -64.5 -32.2 -7.8 19.5 4.5 7 7 A E H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.938 108.8 44.3 -60.4 -48.6 -7.3 15.9 5.8 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.884 110.1 56.1 -64.5 -39.0 -5.9 17.1 9.1 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.946 109.7 46.1 -56.6 -46.8 -8.7 19.7 9.3 10 10 A A H X S+ 0 0 45 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.911 113.1 49.6 -61.9 -46.0 -11.3 16.9 9.0 11 11 A A H X S+ 0 0 19 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.924 111.2 48.8 -59.1 -45.8 -9.4 14.7 11.6 12 12 A M H <>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 6,-0.3 0.906 112.7 48.4 -62.9 -39.0 -9.2 17.6 14.1 13 13 A K H ><5S+ 0 0 83 -4,-2.3 3,-1.9 -5,-0.2 -2,-0.2 0.932 108.3 53.6 -65.7 -45.1 -12.9 18.3 13.6 14 14 A R H 3<5S+ 0 0 202 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.877 109.9 49.6 -55.6 -39.9 -13.9 14.6 14.1 15 15 A H T 3<5S- 0 0 27 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.251 123.1-102.5 -89.7 9.2 -11.9 14.6 17.4 16 16 A G T < 5S+ 0 0 35 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.630 81.8 124.1 87.0 20.3 -13.6 17.8 18.7 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.5 2,-0.1 2,-0.4 0.704 38.9 109.2 -80.3 -22.7 -11.0 20.6 18.3 18 18 A D T 3 S- 0 0 55 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.442 105.4 -10.0 -62.9 113.2 -13.3 22.9 16.2 19 19 A N T > S+ 0 0 99 4,-1.6 3,-2.5 -2,-0.4 -1,-0.3 0.609 91.3 165.5 68.0 17.0 -14.1 25.8 18.7 20 20 A Y B X S-B 23 0B 68 -3,-2.5 3,-1.8 3,-0.8 -1,-0.2 -0.501 79.4 -6.3 -68.1 126.6 -12.5 23.8 21.5 21 21 A R T 3 S- 0 0 161 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.785 136.1 -58.5 49.2 31.2 -12.0 26.4 24.3 22 22 A G T < S+ 0 0 64 -3,-2.5 2,-0.8 1,-0.2 -1,-0.3 0.535 104.0 133.2 84.1 9.2 -13.2 29.0 21.7 23 23 A Y B < -B 20 0B 47 -3,-1.8 -4,-1.6 -6,-0.2 -3,-0.8 -0.822 51.8-135.6-100.4 109.5 -10.5 28.2 19.2 24 24 A S >> - 0 0 43 -2,-0.8 3,-1.6 -5,-0.2 4,-1.0 -0.180 27.9-104.2 -59.6 152.6 -11.8 27.8 15.6 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.816 118.0 65.2 -46.9 -41.7 -10.5 24.9 13.6 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.837 97.2 56.4 -52.7 -36.5 -8.3 27.3 11.5 27 27 A N H <> S+ 0 0 19 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.905 109.1 45.7 -60.2 -44.7 -6.2 28.1 14.6 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.4 -2,-0.2 0.886 113.3 47.5 -67.8 -42.6 -5.5 24.4 15.2 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.927 113.1 49.8 -65.7 -45.0 -4.6 23.7 11.5 30 30 A b H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.923 110.7 50.1 -56.2 -47.2 -2.4 26.8 11.5 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 111.5 47.8 -58.4 -50.5 -0.7 25.6 14.7 32 32 A A H X>S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 6,-1.2 0.862 107.8 57.2 -59.1 -40.1 0.0 22.2 13.3 33 33 A K H X5S+ 0 0 63 -4,-2.4 4,-1.9 4,-0.2 -2,-0.2 0.972 115.7 34.0 -56.0 -54.8 1.4 23.6 10.0 34 34 A F H <5S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.793 120.7 48.9 -79.1 -24.6 4.1 25.7 11.8 35 35 A E H <5S- 0 0 35 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.920 138.4 -6.2 -74.9 -45.3 4.8 23.2 14.6 36 36 A S H ><5S- 0 0 12 -4,-2.5 3,-1.0 19,-0.4 -3,-0.2 0.430 82.7-115.8-132.7 -6.6 5.2 20.0 12.5 37 37 A N T 3< - 0 0 50 4,-2.8 3,-2.0 -2,-0.3 -1,-0.0 -0.557 22.7-113.6 -94.5 158.6 14.8 21.7 23.3 47 47 A T T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.811 115.7 60.1 -59.3 -29.0 17.7 23.5 25.0 48 48 A D T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.455 121.6-104.8 -81.5 -0.2 16.4 22.4 28.4 49 49 A G S < S+ 0 0 19 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.1 0.175 84.8 118.1 96.0 -15.8 16.7 18.7 27.4 50 50 A S - 0 0 0 19,-0.1 -4,-2.8 -5,-0.1 -1,-0.4 -0.233 54.5-137.6 -70.5 171.0 13.0 18.1 26.9 51 51 A T E -C 45 0C 2 -6,-0.2 9,-1.8 -3,-0.1 2,-0.4 -0.991 2.2-135.3-134.8 144.0 11.6 17.1 23.5 52 52 A D E -CD 44 59C 29 -8,-2.7 -8,-1.7 -2,-0.4 2,-0.4 -0.815 26.6-162.0 -94.9 135.5 8.5 18.1 21.5 53 53 A Y E > -CD 43 58C 23 5,-1.9 5,-2.0 -2,-0.4 3,-0.3 -0.971 31.9 -13.3-128.7 132.6 6.5 15.4 19.9 54 54 A G T > 5S- 0 0 0 -12,-2.4 3,-1.7 -2,-0.4 30,-0.2 -0.162 98.8 -30.1 91.4-172.4 3.9 15.1 17.1 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.778 141.7 34.0 -58.7 -29.2 1.6 17.3 15.0 56 56 A L T 3 5S- 0 0 1 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.170 105.4-123.9-114.3 16.2 1.4 19.8 17.8 57 57 A Q T < 5 - 0 0 11 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.872 34.6-165.7 45.2 55.7 4.9 19.5 19.3 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-1.9 -6,-0.1 2,-0.2 -0.576 18.0-118.4 -76.6 133.0 3.8 18.6 22.8 59 59 A N E >> -D 52 0C 28 -2,-0.3 4,-1.9 -7,-0.2 5,-0.7 -0.461 5.7-143.4 -85.2 143.8 6.6 18.9 25.4 60 60 A S T 45S+ 0 0 0 -9,-1.8 6,-0.3 1,-0.2 9,-0.1 0.499 91.3 71.8 -80.8 -8.0 8.0 16.1 27.5 61 61 A R T 45S+ 0 0 45 11,-0.2 12,-4.0 -10,-0.1 -1,-0.2 0.884 120.8 5.9 -76.6 -35.2 8.6 18.3 30.6 62 62 A W T 45S+ 0 0 123 -3,-0.4 13,-2.8 10,-0.2 -2,-0.2 0.771 132.0 37.4-107.5 -35.1 5.0 18.6 31.4 63 63 A W T <5S+ 0 0 29 -4,-1.9 13,-2.1 11,-0.3 15,-0.3 0.787 107.2 18.4-109.1 -31.0 2.8 16.5 29.2 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 9,-0.4 -1,-0.2 -0.953 68.0-112.5-142.0 157.2 4.1 13.1 28.2 65 65 A N B +e 79 0D 81 13,-2.5 15,-2.5 -2,-0.3 16,-0.4 -0.832 34.2 161.0 -94.7 124.6 6.8 10.6 29.4 66 66 A D - 0 0 34 -2,-0.6 -1,-0.1 -6,-0.3 8,-0.0 0.303 51.7-123.0-117.0 7.0 9.8 10.0 27.2 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.544 97.3 70.5 67.4 8.5 12.0 8.5 30.0 68 68 A R + 0 0 123 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.189 64.8 95.0-139.6 19.6 14.8 11.1 29.4 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.3 4,-0.0 -2,-0.1 -0.839 71.6-135.4-115.8 92.4 13.5 14.5 30.6 70 70 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.132 80.8 4.0 -52.0 137.5 14.7 14.9 34.2 71 71 A G T 3 S+ 0 0 64 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.730 98.0 143.3 67.8 26.7 12.2 16.2 36.7 72 72 A S < - 0 0 34 -3,-1.3 -10,-0.2 1,-0.1 2,-0.2 -0.472 42.0-133.7 -96.0 163.5 9.4 16.2 34.2 73 73 A R - 0 0 95 -12,-4.0 -9,-0.4 -2,-0.2 3,-0.1 -0.610 5.4-147.2-106.7 175.8 5.7 15.4 34.5 74 74 A N > + 0 0 53 -2,-0.2 3,-1.5 -11,-0.2 -11,-0.3 -0.595 30.6 161.4-139.2 64.0 3.4 13.3 32.4 75 75 A L T 3 S+ 0 0 92 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.794 75.5 52.9 -68.0 -27.7 0.2 15.2 32.9 76 76 A d T 3 S- 0 0 9 -13,-2.1 -1,-0.3 2,-0.1 -12,-0.1 0.480 105.0-132.1 -82.4 -2.7 -1.4 13.6 29.8 77 77 A N < + 0 0 136 -3,-1.5 -13,-0.1 1,-0.2 -2,-0.1 0.921 65.6 111.7 55.4 51.4 -0.6 10.2 31.2 78 78 A I S S- 0 0 31 -15,-0.3 -13,-2.5 16,-0.0 2,-0.2 -0.992 74.3-104.8-148.6 149.1 0.9 8.9 27.9 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.580 37.0-121.6 -69.9 142.5 4.3 7.9 26.5 80 80 A c G > S+ 0 0 1 -15,-2.5 3,-1.9 1,-0.3 -14,-0.1 0.836 110.5 69.4 -55.5 -32.2 5.5 10.6 24.2 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-2.0 1,-0.3 4,-0.3 0.769 84.9 69.5 -55.9 -29.1 5.6 8.0 21.4 82 82 A A G X S+ 0 0 29 -3,-1.8 3,-0.8 1,-0.3 9,-0.3 0.775 91.8 61.6 -57.8 -26.5 1.8 7.9 21.4 83 83 A L G < S+ 0 0 1 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.452 96.3 58.3 -81.1 -2.9 2.0 11.5 20.0 84 84 A L G < S+ 0 0 41 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.440 80.5 119.3-103.9 -3.9 3.8 10.2 16.8 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.177 74.3-124.4 -59.1 148.6 1.0 7.8 15.7 86 86 A S S S+ 0 0 77 2,-0.0 2,-0.6 -45,-0.0 -1,-0.1 0.819 103.3 77.2 -59.9 -28.5 -0.9 8.1 12.4 87 87 A D S S- 0 0 88 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.739 73.6-160.6 -84.7 118.0 -3.9 8.1 14.7 88 88 A I > + 0 0 6 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.401 60.5 105.7 -87.3 6.5 -4.0 11.7 16.2 89 89 A T H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.896 80.2 48.3 -51.7 -50.7 -6.3 10.8 19.2 90 90 A A H > S+ 0 0 25 -3,-0.5 4,-2.1 -8,-0.3 -1,-0.2 0.920 113.6 47.2 -59.2 -46.6 -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 0.906 114.5 47.4 -61.4 -42.2 -2.2 14.3 20.5 92 92 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.962 112.4 46.8 -65.1 -52.2 -5.7 15.8 20.4 93 93 A N H X S+ 0 0 71 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.871 115.1 47.7 -58.7 -37.8 -6.7 14.7 23.9 94 94 A d H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.3 3,-0.4 0.938 109.3 52.8 -69.4 -44.2 -3.4 16.0 25.2 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.856 103.4 59.2 -55.8 -39.6 -3.8 19.3 23.4 96 96 A K H X S+ 0 0 44 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.909 107.8 45.1 -57.4 -42.9 -7.3 19.7 25.0 97 97 A K H < S+ 0 0 94 -4,-1.2 3,-0.4 -3,-0.4 4,-0.4 0.934 114.2 49.6 -63.9 -45.4 -5.6 19.5 28.4 98 98 A I H >< S+ 0 0 6 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.943 110.4 47.8 -61.1 -51.9 -2.9 22.0 27.4 99 99 A V H 3< S+ 0 0 4 -4,-2.9 5,-0.4 1,-0.3 3,-0.4 0.692 110.1 54.8 -65.6 -18.8 -5.3 24.6 25.9 100 100 A S T 3< S+ 0 0 33 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.495 84.8 90.7 -86.6 -4.3 -7.4 24.4 29.1 101 101 A D S < S- 0 0 111 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 0.630 108.7 -86.3 -74.0 -22.0 -4.4 25.1 31.4 102 102 A G S S+ 0 0 63 -3,-0.4 -3,-0.1 -4,-0.2 -1,-0.1 -0.072 115.3 65.2 145.1 -40.9 -4.8 29.0 31.5 103 103 A N S > S- 0 0 118 -5,-0.3 3,-1.8 1,-0.3 4,-0.1 0.351 81.1-151.1-101.8 10.2 -2.9 30.5 28.6 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.3 1,-0.3 -1,-0.3 -0.288 69.9 -16.5 58.2-141.6 -5.1 29.1 25.9 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 7,-0.3 0.541 116.7 89.7 -79.1 -4.5 -3.2 28.6 22.6 106 106 A N G < + 0 0 52 -3,-1.8 -1,-0.3 1,-0.3 6,-0.2 0.738 69.2 79.6 -60.4 -19.1 -0.4 30.8 23.7 107 107 A A G < S+ 0 0 52 -3,-1.3 2,-0.9 1,-0.1 -1,-0.3 0.789 83.9 69.2 -54.5 -29.3 1.1 27.5 25.1 108 108 A W S <> S- 0 0 8 -3,-2.0 4,-2.4 1,-0.2 3,-0.2 -0.838 73.2-164.6 -95.0 102.9 2.1 27.0 21.5 109 109 A V H > S+ 0 0 81 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.883 89.9 53.0 -55.4 -41.2 4.8 29.6 20.8 110 110 A A H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 5,-0.5 0.863 107.4 52.4 -63.5 -38.6 4.5 29.1 17.0 111 111 A W H >>S+ 0 0 12 -6,-0.2 5,-2.9 -3,-0.2 4,-2.3 0.955 111.3 46.3 -60.5 -50.9 0.7 29.7 17.3 112 112 A R H <5S+ 0 0 109 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.914 120.3 39.1 -56.0 -44.8 1.3 33.0 19.2 113 113 A N H <5S+ 0 0 101 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.713 132.1 18.9 -83.1 -20.2 4.0 34.1 16.7 114 114 A R H <5S+ 0 0 140 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.608 131.0 27.1-127.8 -18.4 2.6 33.0 13.4 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.6 -5,-0.5 -3,-0.2 0.740 83.0 106.3-116.1 -45.6 -1.2 32.3 13.7 116 116 A K T 3 + 0 0 115 1,-0.2 3,-1.5 -2,-0.1 4,-0.2 -0.529 56.7 169.8 -76.9 78.2 -6.8 35.1 8.9 120 120 A V G > + 0 0 15 -2,-2.1 3,-2.1 1,-0.3 4,-0.3 0.735 64.1 75.5 -67.1 -22.6 -6.7 31.6 10.3 121 121 A Q G >> S+ 0 0 107 1,-0.3 3,-1.8 -3,-0.2 4,-0.5 0.794 79.4 74.1 -59.6 -26.9 -9.9 30.6 8.3 122 122 A A G X4 S+ 0 0 34 -3,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.788 84.9 66.9 -53.1 -26.6 -7.7 30.5 5.3 123 123 A W G <4 S+ 0 0 55 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.676 106.5 37.7 -76.5 -15.5 -6.3 27.2 6.6 124 124 A I G X4 S+ 0 0 32 -3,-1.8 3,-2.0 -4,-0.3 -1,-0.3 0.328 84.4 136.7-116.2 4.4 -9.6 25.4 6.1 125 125 A R T << S+ 0 0 151 -3,-0.7 3,-0.1 -4,-0.5 -119,-0.1 -0.257 77.7 8.6 -47.3 127.0 -10.5 27.2 2.8 126 126 A G T 3 S+ 0 0 85 1,-0.2 2,-0.4 -120,-0.0 -1,-0.3 0.529 96.5 135.2 78.7 5.2 -11.8 24.6 0.4 127 127 A a < - 0 0 18 -3,-2.0 2,-0.7 -122,-0.0 -1,-0.2 -0.739 58.6-126.4 -93.4 136.8 -12.0 21.8 2.9 128 128 A R 0 0 238 -2,-0.4 -118,-0.1 1,-0.2 -3,-0.0 -0.708 360.0 360.0 -75.9 115.5 -15.0 19.4 3.1 129 129 A L 0 0 97 -2,-0.7 -1,-0.2 -116,-0.0 -2,-0.0 0.303 360.0 360.0-126.6 360.0 -15.9 19.7 6.9