==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-05 2A7D . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR C.MUELLER-DIECKMANN,S.PANJIKAR,P.A.TUCKER,M.S.WEISS . 128 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 68.0 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 8.6 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.8 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 77 0, 0.0 39,-3.2 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 134.9 1.9 10.1 8.8 2 2 A V B -A 39 0A 94 37,-0.3 37,-0.2 38,-0.1 2,-0.2 -0.924 360.0-148.2-103.0 111.4 2.0 13.4 7.1 3 3 A F - 0 0 15 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.493 10.4-122.9 -74.5 148.7 -1.6 14.7 7.0 4 4 A G > - 0 0 35 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.583 32.3-110.5 -74.6 157.2 -3.0 16.8 4.4 5 5 A R H > S+ 0 0 86 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.929 117.8 40.3 -55.4 -54.0 -4.4 20.0 5.7 6 6 A a H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 114.1 54.2 -69.3 -32.8 -8.0 19.1 5.1 7 7 A E H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.907 111.0 45.6 -66.0 -39.5 -7.5 15.6 6.2 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.917 109.3 55.0 -69.7 -40.7 -6.1 16.9 9.5 9 9 A A H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.938 109.6 48.2 -54.2 -44.7 -8.8 19.4 9.9 10 10 A A H X S+ 0 0 54 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.898 112.3 48.0 -63.3 -43.6 -11.3 16.5 9.6 11 11 A A H X S+ 0 0 13 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.913 111.8 49.1 -64.7 -44.6 -9.5 14.4 12.1 12 12 A M H <>S+ 0 0 1 -4,-3.1 5,-2.8 1,-0.2 6,-0.3 0.917 111.9 49.8 -62.8 -39.6 -9.2 17.2 14.6 13 13 A K H ><5S+ 0 0 130 -4,-2.5 3,-1.8 -5,-0.2 -1,-0.2 0.912 108.4 52.4 -62.8 -44.0 -12.9 18.0 14.2 14 14 A R H 3<5S+ 0 0 185 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.871 107.7 52.4 -62.4 -36.7 -13.8 14.4 14.7 15 15 A H T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.304 122.1-106.0 -86.4 9.6 -11.8 14.3 17.9 16 16 A G T < 5S+ 0 0 36 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.711 82.3 126.2 78.7 22.2 -13.6 17.4 19.2 17 17 A L > < + 0 0 0 -5,-2.8 3,-2.8 -6,-0.1 -4,-0.2 0.777 38.2 104.9 -79.0 -29.0 -10.9 20.0 18.8 18 18 A D T 3 S- 0 0 51 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.393 106.1 -6.6 -59.7 120.8 -13.0 22.5 16.7 19 19 A N T > S+ 0 0 96 4,-1.4 3,-2.3 1,-0.2 -1,-0.3 0.576 90.5 163.9 64.2 19.4 -13.9 25.3 19.1 20 20 A Y B X S-B 23 0B 71 -3,-2.8 3,-1.9 3,-0.7 -1,-0.2 -0.507 80.1 -5.4 -69.1 130.1 -12.4 23.3 22.0 21 21 A R T 3 S- 0 0 147 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.763 136.1 -58.5 47.7 35.6 -11.9 25.9 24.8 22 22 A G T < S+ 0 0 67 -3,-2.3 2,-0.8 1,-0.2 -1,-0.3 0.441 104.4 130.2 82.1 3.7 -13.0 28.5 22.2 23 23 A Y B < -B 20 0B 46 -3,-1.9 -4,-1.4 -6,-0.2 -3,-0.7 -0.798 53.1-135.2-100.0 114.1 -10.3 27.8 19.6 24 24 A S >> - 0 0 38 -2,-0.8 3,-1.8 -5,-0.2 4,-1.0 -0.178 27.6-102.0 -63.4 154.9 -11.7 27.3 16.2 25 25 A L H 3> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.795 118.4 63.9 -48.9 -38.6 -10.4 24.5 14.1 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.838 98.1 57.1 -56.3 -35.3 -8.2 26.8 12.0 27 27 A N H <> S+ 0 0 19 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.909 109.3 44.1 -59.1 -47.1 -6.2 27.6 15.1 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.2 -2,-0.2 0.890 115.1 48.2 -67.5 -42.7 -5.4 23.9 15.7 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 113.2 47.6 -63.7 -45.0 -4.6 23.3 12.0 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.917 112.3 50.1 -60.0 -47.0 -2.4 26.3 11.9 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.942 112.2 47.7 -59.6 -48.4 -0.7 25.2 15.1 32 32 A A H X>S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 6,-1.4 0.886 108.4 55.8 -60.5 -39.5 -0.1 21.8 13.7 33 33 A K H X5S+ 0 0 59 -4,-2.4 4,-1.9 4,-0.2 -2,-0.2 0.961 117.6 33.0 -56.3 -51.6 1.2 23.2 10.5 34 34 A F H <5S+ 0 0 59 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.751 119.2 51.6 -84.4 -21.9 3.9 25.2 12.2 35 35 A E H <5S- 0 0 35 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.915 138.5 -7.6 -74.4 -44.0 4.5 22.8 15.0 36 36 A S H ><5S- 0 0 11 -4,-2.4 3,-1.4 19,-0.4 -3,-0.2 0.421 84.4-113.8-136.9 -1.9 5.0 19.7 12.9 37 37 A N T 3< - 0 0 49 4,-3.3 3,-1.7 -2,-0.4 -1,-0.0 -0.482 24.0-112.0 -88.9 162.8 14.5 21.3 23.6 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.832 116.5 59.6 -65.4 -30.2 17.5 22.9 25.2 48 48 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.504 122.7-104.5 -76.5 -3.0 16.4 21.8 28.6 49 49 A G S < S+ 0 0 19 -3,-1.7 -2,-0.1 1,-0.4 2,-0.1 0.349 84.4 122.3 94.4 -4.9 16.5 18.2 27.4 50 50 A S - 0 0 1 19,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.344 52.2-140.0 -78.0 170.1 12.8 17.8 27.1 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.5 -3,-0.1 2,-0.4 -0.981 2.4-136.0-135.6 148.3 11.4 16.8 23.8 52 52 A D E -CD 44 59C 27 -8,-3.1 -8,-1.9 -2,-0.4 2,-0.4 -0.877 27.0-159.9-104.3 135.4 8.4 17.8 21.8 53 53 A Y E > -CD 43 58C 23 5,-2.3 5,-2.2 -2,-0.4 3,-0.4 -0.955 31.0 -15.0-128.8 132.4 6.4 15.1 20.1 54 54 A G T > 5S- 0 0 0 -12,-2.8 3,-1.4 -2,-0.4 30,-0.2 -0.174 98.0 -30.9 86.8-172.5 3.9 14.8 17.4 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.790 141.6 35.2 -62.8 -26.0 1.6 16.8 15.3 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.275 105.6-124.9-112.7 14.1 1.2 19.3 18.1 57 57 A Q T < 5 - 0 0 12 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.906 33.6-166.6 53.5 51.7 4.7 19.1 19.5 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.3 -6,-0.1 2,-0.3 -0.588 17.1-123.0 -79.2 133.0 3.6 18.2 23.0 59 59 A N E >> -D 52 0C 28 -2,-0.3 4,-2.1 -7,-0.2 3,-0.8 -0.570 6.4-146.0 -90.3 136.6 6.5 18.6 25.5 60 60 A S T 34 S+ 0 0 0 -9,-2.5 6,-0.2 -2,-0.3 13,-0.1 0.573 89.3 81.8 -73.3 -11.7 7.8 15.8 27.8 61 61 A R T 34 S- 0 0 60 -10,-0.2 12,-2.4 11,-0.2 -1,-0.2 0.895 119.8 -3.6 -61.5 -35.9 8.6 18.4 30.6 62 62 A W T <4 S+ 0 0 118 -3,-0.8 13,-3.3 10,-0.2 -2,-0.2 0.684 132.0 43.9-119.6 -35.9 5.0 18.2 31.6 63 63 A W S < S+ 0 0 24 -4,-2.1 13,-1.9 11,-0.3 2,-0.3 0.712 104.1 21.9-107.9 -22.7 2.7 16.2 29.5 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 11,-0.1 -0.958 67.9-112.0-145.6 162.7 4.1 12.9 28.6 65 65 A N B +e 79 0D 79 13,-3.1 15,-2.6 -2,-0.3 16,-0.4 -0.867 35.0 157.3-103.9 124.0 6.7 10.4 29.7 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.332 52.7-123.4-117.9 3.3 9.8 9.7 27.6 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.485 97.1 73.4 69.9 5.2 12.0 8.4 30.3 68 68 A R + 0 0 110 1,-0.1 -1,-0.1 2,-0.0 -8,-0.0 0.033 64.9 89.3-140.7 30.2 14.6 11.0 29.7 69 69 A T S > S- 0 0 8 -9,-0.1 3,-2.3 3,-0.1 -2,-0.1 -0.750 72.9-140.3-127.6 81.3 13.3 14.3 31.0 70 70 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.107 82.1 8.5 -47.4 130.7 14.5 14.4 34.6 71 71 A G T 3 S+ 0 0 80 1,-0.2 -10,-0.0 0, 0.0 0, 0.0 0.374 98.9 145.5 81.7 -7.6 12.1 15.8 37.1 72 72 A S < - 0 0 31 -3,-2.3 -1,-0.2 1,-0.1 2,-0.2 -0.102 41.4-137.3 -48.8 155.6 9.4 15.8 34.4 73 73 A R - 0 0 138 -12,-2.4 -9,-0.4 -13,-0.1 2,-0.1 -0.641 3.8-147.2-106.4 174.7 5.8 15.2 34.9 74 74 A N > + 0 0 46 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.587 28.9 163.5-138.3 68.4 3.5 13.1 32.7 75 75 A L T 3 S+ 0 0 69 -13,-3.3 -12,-0.2 1,-0.3 -11,-0.1 0.761 76.4 50.3 -71.5 -23.3 0.2 15.0 33.1 76 76 A d T 3 S- 0 0 9 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.448 105.0-132.2 -88.4 -2.6 -1.4 13.3 30.1 77 77 A N < + 0 0 139 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.935 64.8 117.3 53.4 53.4 -0.4 10.0 31.6 78 78 A I S S- 0 0 41 -15,-0.3 -13,-3.1 16,-0.0 2,-0.3 -0.992 71.9-107.2-145.9 144.8 1.0 8.8 28.3 79 79 A P B > -e 65 0D 67 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.624 34.6-123.7 -69.1 140.9 4.3 7.7 26.8 80 80 A c G > S+ 0 0 2 -15,-2.6 3,-2.1 -2,-0.3 4,-0.2 0.850 108.8 70.2 -59.0 -31.5 5.5 10.4 24.5 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.3 1,-0.3 -1,-0.3 0.837 86.2 66.7 -52.3 -31.9 5.6 7.8 21.7 82 82 A A G X S+ 0 0 28 -3,-1.6 3,-0.8 1,-0.3 8,-0.3 0.732 91.6 63.1 -59.4 -26.5 1.8 7.7 21.8 83 83 A L G < S+ 0 0 1 -3,-2.1 -28,-0.5 -4,-0.4 -1,-0.3 0.459 96.0 58.9 -78.3 -2.3 2.0 11.2 20.5 84 84 A L G < S+ 0 0 43 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.389 77.8 121.1-108.1 3.7 3.7 10.0 17.3 85 85 A S S < S- 0 0 52 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.263 72.1-126.2 -65.7 149.4 1.0 7.7 16.2 86 86 A S S S+ 0 0 72 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.782 101.6 77.7 -65.9 -22.9 -0.7 8.1 12.8 87 87 A D S > S- 0 0 82 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.791 76.2-156.1 -85.2 119.5 -3.9 8.2 14.9 88 88 A I T 3> + 0 0 6 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.432 62.2 106.4 -82.5 5.2 -4.1 11.6 16.5 89 89 A T H 3> S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 80.8 44.9 -53.8 -49.7 -6.3 10.6 19.4 90 90 A A H <> S+ 0 0 21 -3,-0.5 4,-2.4 -8,-0.3 -1,-0.2 0.914 114.6 50.0 -65.6 -36.5 -3.5 10.8 22.1 91 91 A S H > S+ 0 0 5 -4,-0.3 4,-3.0 -9,-0.3 -2,-0.2 0.924 113.0 46.7 -63.5 -44.5 -2.2 14.1 20.7 92 92 A V H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.922 112.3 48.7 -65.2 -45.1 -5.7 15.6 20.7 93 93 A N H X S+ 0 0 70 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.897 114.5 45.5 -62.5 -39.4 -6.5 14.4 24.2 94 94 A d H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 3,-0.3 0.922 110.0 55.1 -70.0 -42.1 -3.3 15.7 25.6 95 95 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.885 104.2 55.7 -57.4 -37.9 -3.8 19.0 23.6 96 96 A K H X S+ 0 0 39 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.903 108.8 46.0 -64.1 -39.7 -7.1 19.4 25.3 97 97 A K H < S+ 0 0 99 -4,-1.4 4,-0.3 -3,-0.3 -2,-0.2 0.908 114.0 49.7 -64.5 -41.1 -5.5 19.1 28.8 98 98 A I H >< S+ 0 0 8 -4,-2.4 3,-1.7 1,-0.2 5,-0.3 0.943 109.9 48.1 -64.1 -46.7 -2.9 21.5 27.8 99 99 A V H 3< S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.3 5,-0.3 0.691 109.5 54.1 -75.9 -17.0 -5.2 24.1 26.4 100 100 A S T 3< S+ 0 0 41 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.492 84.7 93.0 -81.6 -5.5 -7.4 23.9 29.5 101 101 A D S < S- 0 0 103 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.521 108.0 -91.6 -80.7 -9.7 -4.3 24.6 31.7 102 102 A G S S+ 0 0 57 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 -0.127 115.1 65.7 128.9 -37.6 -4.7 28.4 32.0 103 103 A N S > S- 0 0 119 -5,-0.3 3,-1.7 1,-0.3 -4,-0.1 0.380 82.9-154.8 -97.9 7.9 -2.7 29.9 29.1 104 104 A G G > - 0 0 11 -5,-0.3 3,-1.6 1,-0.3 -1,-0.3 -0.284 65.8 -15.1 59.3-141.0 -4.9 28.4 26.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 7,-0.3 0.567 116.1 89.4 -78.0 -5.0 -3.1 28.0 23.0 106 106 A N G < + 0 0 47 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.692 68.6 80.4 -61.4 -16.4 -0.3 30.2 24.1 107 107 A A G < S+ 0 0 54 -3,-1.6 2,-0.8 1,-0.1 -1,-0.3 0.813 83.4 69.3 -52.1 -32.1 1.2 27.0 25.4 108 108 A W S <> S- 0 0 8 -3,-2.1 4,-2.3 1,-0.2 3,-0.3 -0.815 73.2-161.7 -95.9 107.0 2.2 26.4 21.7 109 109 A V H > S+ 0 0 79 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.875 90.1 53.0 -58.3 -38.9 4.8 28.9 20.9 110 110 A A H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.865 108.7 51.0 -64.9 -35.8 4.3 28.5 17.1 111 111 A W H >>S+ 0 0 12 -3,-0.3 5,-3.6 -6,-0.2 4,-2.2 0.960 111.7 46.4 -64.0 -49.6 0.6 29.2 17.6 112 112 A R H <5S+ 0 0 103 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.922 123.2 35.3 -57.9 -42.7 1.4 32.3 19.6 113 113 A N H <5S+ 0 0 105 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.713 133.3 19.5 -88.9 -20.2 3.9 33.5 17.1 114 114 A R H <5S+ 0 0 134 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.569 131.3 27.9-127.8 -15.0 2.5 32.4 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.5 -3,-0.2 0.712 86.2 100.5-119.9 -46.1 -1.2 31.7 14.1 116 116 A K T 3 + 0 0 91 1,-0.2 3,-1.5 -2,-0.1 4,-0.3 -0.544 55.1 170.6 -79.2 78.5 -6.8 34.6 9.6 120 120 A V G > + 0 0 16 -2,-2.2 3,-1.4 1,-0.3 4,-0.3 0.745 64.4 74.2 -69.2 -20.7 -6.7 31.1 10.9 121 121 A Q G >> S+ 0 0 85 1,-0.3 3,-2.0 -3,-0.2 4,-0.5 0.792 79.7 74.8 -60.0 -28.5 -9.9 30.2 9.0 122 122 A A G X4 S+ 0 0 35 -3,-1.5 3,-1.1 1,-0.3 -1,-0.3 0.859 86.7 64.8 -49.7 -34.7 -7.7 30.1 5.8 123 123 A W G <4 S+ 0 0 53 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.695 111.3 32.1 -66.2 -19.0 -6.3 26.8 7.2 124 124 A I G X4 S+ 0 0 38 -3,-2.0 3,-1.6 -4,-0.3 -1,-0.3 0.321 89.1 130.0-116.4 7.7 -9.7 25.1 6.9 125 125 A R T << S+ 0 0 117 -3,-1.1 3,-0.1 -4,-0.5 -3,-0.1 -0.357 78.3 10.5 -70.1 134.7 -10.9 27.0 3.8 126 126 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.287 95.5 132.9 80.6 -12.8 -12.2 24.8 1.1 127 127 A a < 0 0 34 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.0 -0.544 360.0 360.0 -76.5 142.9 -12.2 21.7 3.3 128 128 A R 0 0 287 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.633 360.0 360.0 -84.1 360.0 -15.1 19.4 3.4