==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-12 4HTK . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR N.E.C.DUKE,Y.Z.FINFROCK,E.A.STERN,R.W.ALKIRE,K.LAZARSKI,A.JO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6662.0 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 . 29 22.5 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,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 134.3 -10.6 -2.3 9.7 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.918 360.0-149.7-101.9 110.0 -13.9 -2.3 11.5 3 3 A F - 0 0 13 35,-2.6 2,-0.2 -2,-0.7 3,-0.0 -0.459 10.9-121.3 -74.7 150.2 -15.1 1.3 11.6 4 4 A G > - 0 0 35 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.495 33.6-108.5 -75.6 159.6 -17.3 2.8 14.3 5 5 A R H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.954 118.0 36.9 -57.8 -55.2 -20.6 4.2 13.0 6 6 A a H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 114.3 57.9 -68.4 -35.2 -19.7 7.9 13.4 7 7 A E H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 109.5 44.3 -57.9 -45.0 -16.1 7.3 12.4 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.912 110.4 54.6 -68.6 -41.1 -17.4 5.9 9.1 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.932 110.4 47.2 -54.9 -47.1 -19.9 8.7 8.6 10 10 A A H X S+ 0 0 43 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.892 112.2 48.9 -63.1 -41.8 -17.1 11.2 9.0 11 11 A A H X S+ 0 0 20 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.905 111.2 50.1 -66.6 -39.7 -14.8 9.3 6.6 12 12 A M H <>S+ 0 0 0 -4,-3.0 5,-2.6 2,-0.2 6,-0.4 0.917 112.3 47.2 -63.7 -42.1 -17.6 9.1 4.0 13 13 A K H ><5S+ 0 0 80 -4,-2.3 3,-2.1 -5,-0.2 -2,-0.2 0.924 108.0 55.9 -63.3 -44.7 -18.3 12.8 4.4 14 14 A R H 3<5S+ 0 0 195 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.1 48.8 -51.5 -40.0 -14.5 13.6 4.1 15 15 A H T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.253 121.8-106.4 -93.1 12.6 -14.6 11.7 0.8 16 16 A G T < 5S+ 0 0 31 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.702 81.9 124.4 79.5 21.5 -17.6 13.5 -0.6 17 17 A L > < + 0 0 0 -5,-2.6 3,-2.3 -6,-0.1 2,-0.3 0.709 38.0 107.5 -87.3 -19.4 -20.2 10.8 -0.3 18 18 A D T 3 S- 0 0 62 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.440 102.6 -6.7 -67.7 121.6 -22.6 12.9 1.8 19 19 A N T > S+ 0 0 104 4,-1.5 3,-2.3 -2,-0.3 -1,-0.3 0.589 91.0 163.4 65.8 15.9 -25.6 13.8 -0.5 20 20 A Y B X S-B 23 0B 70 -3,-2.3 3,-2.0 3,-0.6 -1,-0.2 -0.461 77.0 -2.8 -65.5 130.0 -23.8 12.3 -3.5 21 21 A R T 3 S- 0 0 158 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.760 135.5 -60.8 55.3 25.6 -26.4 11.8 -6.2 22 22 A G T < S+ 0 0 57 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.499 103.9 132.5 84.4 4.7 -28.9 13.1 -3.6 23 23 A Y B < -B 20 0B 47 -3,-2.0 -4,-1.5 -6,-0.1 -3,-0.6 -0.820 52.4-133.7 -97.3 114.9 -28.3 10.3 -1.1 24 24 A S >> - 0 0 49 -2,-0.7 3,-1.2 -5,-0.2 4,-1.2 -0.155 26.0-103.6 -63.1 160.4 -27.8 11.6 2.4 25 25 A L H 3> S+ 0 0 12 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.846 118.8 61.2 -55.9 -38.9 -25.0 10.3 4.6 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.851 99.4 56.7 -60.1 -32.8 -27.3 8.1 6.6 27 27 A N H <> S+ 0 0 20 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.914 109.4 45.3 -60.7 -44.3 -28.2 6.2 3.5 28 28 A W H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.882 114.2 47.4 -67.2 -41.6 -24.5 5.4 2.9 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 112.1 50.4 -66.6 -44.5 -23.9 4.4 6.5 30 30 A b H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.930 110.5 50.1 -57.7 -46.0 -27.0 2.2 6.6 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.939 111.6 47.8 -59.3 -46.7 -25.9 0.5 3.4 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 6,-1.2 0.887 107.7 57.0 -62.9 -38.7 -22.4 -0.1 4.8 33 33 A K H X5S+ 0 0 63 -4,-2.5 4,-1.7 4,-0.2 -1,-0.2 0.953 115.4 35.1 -55.6 -50.3 -23.9 -1.5 8.1 34 34 A F H <5S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 119.6 49.4 -84.6 -21.6 -25.9 -4.1 6.3 35 35 A E H <5S- 0 0 37 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.902 138.2 -6.4 -76.3 -42.8 -23.4 -4.9 3.6 36 36 A S H ><5S- 0 0 13 -4,-2.6 3,-1.5 19,-0.4 -3,-0.2 0.388 82.6-116.0-136.6 -2.3 -20.3 -5.3 5.8 37 37 A N T 3< - 0 0 45 4,-3.1 3,-2.0 -2,-0.3 -1,-0.0 -0.596 24.2-111.9 -93.2 157.2 -22.0 -14.8 -5.1 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.814 116.4 59.8 -55.4 -33.7 -23.8 -17.7 -6.7 48 48 A D T 3 S- 0 0 85 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.529 122.0-103.9 -76.9 -5.4 -22.7 -16.5 -10.2 49 49 A G S < S+ 0 0 19 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.1 0.257 85.3 119.5 101.9 -13.3 -19.0 -16.9 -9.2 50 50 A S - 0 0 1 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.284 53.9-138.1 -73.1 170.2 -18.4 -13.2 -8.7 51 51 A T E -C 45 0C 4 -6,-0.2 9,-2.4 -3,-0.1 2,-0.4 -0.979 1.5-136.5-133.7 146.1 -17.3 -11.8 -5.3 52 52 A D E -CD 44 59C 27 -8,-2.8 -8,-1.9 -2,-0.3 2,-0.4 -0.865 25.7-160.2-102.2 139.3 -18.3 -8.7 -3.3 53 53 A Y E > -CD 43 58C 22 5,-2.0 5,-2.2 -2,-0.4 3,-0.4 -0.963 32.0 -15.7-129.0 133.9 -15.6 -6.7 -1.6 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.8 -2,-0.4 30,-0.2 -0.158 98.6 -29.0 88.6-169.9 -15.3 -4.2 1.2 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.748 141.3 34.8 -61.3 -28.1 -17.5 -1.9 3.2 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.175 106.7-122.9-113.0 13.7 -20.0 -1.5 0.4 57 57 A Q T < 5 - 0 0 10 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.895 34.8-164.0 49.7 55.1 -19.7 -5.1 -1.0 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.0 -6,-0.1 2,-0.3 -0.537 15.3-123.4 -77.5 132.0 -18.7 -4.0 -4.5 59 59 A N E >> -D 52 0C 31 -2,-0.3 4,-2.2 -7,-0.2 3,-0.9 -0.599 7.3-145.8 -91.6 137.1 -19.1 -6.8 -7.0 60 60 A S T 34 S+ 0 0 0 -9,-2.4 6,-0.2 -2,-0.3 13,-0.2 0.531 89.1 81.3 -72.8 -8.7 -16.4 -8.2 -9.3 61 61 A R T 34 S- 0 0 56 -10,-0.2 12,-2.3 11,-0.2 -1,-0.2 0.898 120.5 -4.8 -63.6 -36.6 -18.9 -8.9 -12.1 62 62 A W T <4 S+ 0 0 131 -3,-0.9 13,-2.9 10,-0.2 -2,-0.2 0.694 131.7 46.2-121.6 -34.2 -18.8 -5.2 -13.1 63 63 A W S < S+ 0 0 25 -4,-2.2 13,-2.0 11,-0.3 15,-0.3 0.731 103.7 17.7-106.5 -26.6 -16.7 -3.0 -10.9 64 64 A c - 0 0 0 -5,-0.5 2,-0.5 9,-0.4 11,-0.1 -0.946 68.6-109.9-144.1 161.9 -13.3 -4.4 -10.0 65 65 A N B +e 79 0D 81 13,-2.6 15,-2.6 -2,-0.3 16,-0.4 -0.869 35.8 157.1-100.3 126.0 -10.8 -7.0 -11.1 66 66 A D - 0 0 34 -2,-0.5 -1,-0.1 13,-0.2 8,-0.0 0.338 51.7-124.6-118.8 2.2 -10.2 -10.2 -9.1 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.466 96.2 73.2 73.0 -0.5 -8.9 -12.4 -11.9 68 68 A R + 0 0 119 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.079 65.5 92.0-137.3 28.7 -11.5 -15.1 -11.2 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.7 -19,-0.0 -2,-0.1 -0.782 70.9-141.4-122.3 88.5 -14.8 -13.8 -12.5 70 70 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.166 79.2 7.0 -56.5 135.0 -15.1 -14.9 -16.1 71 71 A G T 3 S+ 0 0 84 1,-0.2 2,-0.0 0, 0.0 -10,-0.0 0.558 99.5 136.0 79.7 7.5 -16.7 -12.5 -18.6 72 72 A S < - 0 0 31 -3,-1.7 2,-0.2 1,-0.1 -10,-0.2 -0.233 45.5-133.2 -86.2 171.6 -16.7 -9.7 -16.0 73 73 A R - 0 0 142 -12,-2.3 -9,-0.4 -13,-0.2 3,-0.1 -0.696 5.4-145.2-115.5 174.7 -15.7 -6.0 -16.3 74 74 A N > + 0 0 50 -2,-0.2 3,-1.5 -11,-0.2 -11,-0.3 -0.587 30.5 162.0-137.9 67.4 -13.6 -3.7 -14.2 75 75 A L T 3 S+ 0 0 53 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.726 75.0 53.2 -73.3 -21.3 -15.4 -0.4 -14.6 76 76 A d T 3 S- 0 0 18 -13,-2.0 -1,-0.3 2,-0.2 -12,-0.1 0.503 104.8-132.1 -85.5 -5.2 -13.8 1.2 -11.5 77 77 A N < + 0 0 133 -3,-1.5 -13,-0.1 1,-0.2 -2,-0.1 0.918 65.1 113.0 57.3 50.3 -10.3 0.3 -12.9 78 78 A I S S- 0 0 31 -15,-0.3 -13,-2.6 12,-0.0 2,-0.2 -0.994 74.0-104.1-146.2 150.7 -9.1 -1.2 -9.7 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.541 35.7-124.1 -68.3 141.6 -8.1 -4.5 -8.2 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-1.9 1,-0.3 -14,-0.1 0.837 109.2 69.2 -58.1 -31.5 -10.8 -5.8 -5.9 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.800 85.6 68.2 -56.1 -29.5 -8.3 -6.0 -3.1 82 82 A A G X S+ 0 0 30 -3,-1.7 3,-0.8 1,-0.3 9,-0.3 0.743 90.5 64.1 -60.3 -22.7 -8.1 -2.2 -3.1 83 83 A L G < S+ 0 0 2 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.401 94.6 59.7 -81.8 -0.4 -11.7 -2.3 -1.8 84 84 A L G < S+ 0 0 42 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.430 78.7 120.7-105.8 0.3 -10.5 -4.0 1.4 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.160 72.9-124.5 -63.9 153.6 -8.1 -1.3 2.5 86 86 A S S S+ 0 0 72 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.775 102.0 76.8 -66.1 -24.2 -8.5 0.5 5.9 87 87 A D S > S- 0 0 92 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.804 74.6-157.3 -87.5 118.8 -8.5 3.7 3.7 88 88 A I T 3> + 0 0 5 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.422 62.4 106.6 -83.0 4.2 -12.0 3.9 2.1 89 89 A T H 3> S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.896 80.7 45.6 -50.0 -51.8 -11.0 6.1 -0.8 90 90 A A H <> S+ 0 0 24 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.921 114.0 48.7 -63.6 -42.4 -11.2 3.3 -3.5 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.7 -4,-0.3 -1,-0.2 0.913 113.4 47.5 -60.6 -42.7 -14.5 2.0 -2.2 92 92 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.939 112.0 48.8 -65.9 -46.1 -16.0 5.6 -2.1 93 93 A N H X S+ 0 0 89 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.887 114.8 45.3 -63.2 -37.3 -14.8 6.4 -5.6 94 94 A d H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.3 3,-0.4 0.922 109.3 55.1 -71.8 -41.6 -16.2 3.2 -7.0 95 95 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.854 102.6 58.2 -56.4 -38.0 -19.5 3.6 -5.1 96 96 A K H X S+ 0 0 44 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.899 108.6 45.0 -59.8 -40.2 -19.8 7.0 -6.8 97 97 A K H >< S+ 0 0 99 -4,-1.1 3,-0.6 -3,-0.4 4,-0.3 0.929 113.5 50.1 -68.1 -42.9 -19.7 5.4 -10.2 98 98 A I H >< S+ 0 0 8 -4,-2.5 3,-1.7 1,-0.2 5,-0.3 0.932 109.7 48.8 -62.0 -47.5 -22.1 2.6 -9.2 99 99 A V H 3< S+ 0 0 3 -4,-2.7 5,-0.4 1,-0.3 3,-0.4 0.671 109.9 54.2 -68.8 -16.1 -24.7 4.9 -7.7 100 100 A S T << S+ 0 0 33 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.403 81.7 94.6 -91.1 -1.0 -24.5 7.0 -10.9 101 101 A D S < S- 0 0 112 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.596 108.4 -86.9 -78.1 -10.8 -25.1 4.0 -13.2 102 102 A G S S+ 0 0 63 -3,-0.4 -3,-0.1 -4,-0.2 -1,-0.1 -0.028 115.2 64.9 138.4 -33.4 -28.9 4.6 -13.5 103 103 A N S > S- 0 0 123 1,-0.3 3,-1.8 -5,-0.3 4,-0.1 0.224 82.9-146.4-106.9 15.3 -30.7 2.9 -10.5 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.233 69.6 -17.0 56.8-143.5 -29.2 4.9 -7.7 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 7,-0.3 0.574 116.5 89.8 -77.2 -3.3 -28.7 3.1 -4.5 106 106 A N G < + 0 0 50 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 68.1 81.4 -62.6 -16.8 -31.0 0.3 -5.6 107 107 A A G < S+ 0 0 54 -3,-1.4 2,-0.9 1,-0.2 -1,-0.3 0.832 84.5 65.2 -52.2 -34.9 -27.7 -1.2 -7.0 108 108 A W S X> S- 0 0 12 -3,-2.0 4,-2.2 1,-0.2 3,-0.7 -0.823 75.7-164.0 -90.8 103.3 -27.2 -2.4 -3.5 109 109 A V H 3> S+ 0 0 81 -2,-0.9 4,-2.7 1,-0.3 5,-0.2 0.900 89.5 55.4 -56.8 -38.9 -30.1 -4.9 -2.9 110 110 A A H 3> S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.831 104.8 53.4 -64.5 -33.3 -29.5 -4.7 0.8 111 111 A W H <>>S+ 0 0 12 -3,-0.7 5,-2.9 -6,-0.2 4,-2.4 0.952 111.5 45.5 -63.0 -48.9 -30.0 -0.9 0.7 112 112 A R H <5S+ 0 0 114 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.926 120.3 40.3 -58.7 -43.1 -33.3 -1.4 -1.1 113 113 A N H <5S+ 0 0 102 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.749 132.5 17.8 -80.8 -22.5 -34.4 -4.1 1.3 114 114 A R H <5S+ 0 0 137 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.594 131.7 27.9-127.4 -16.7 -33.2 -2.7 4.6 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.4 -3,-0.2 0.733 84.9 101.4-117.2 -44.8 -32.5 1.1 4.3 116 116 A K T 3 + 0 0 97 1,-0.2 3,-1.6 -3,-0.1 4,-0.2 -0.494 55.2 168.3 -75.5 76.1 -35.3 6.7 9.1 120 120 A V G > + 0 0 16 -2,-2.2 3,-1.8 1,-0.3 4,-0.3 0.724 63.0 76.1 -70.1 -17.7 -31.7 6.6 7.8 121 121 A Q G >> S+ 0 0 88 1,-0.3 3,-1.8 2,-0.2 4,-0.9 0.795 79.2 74.8 -62.9 -23.3 -30.8 9.8 9.7 122 122 A A G X4 S+ 0 0 38 -3,-1.6 3,-0.5 1,-0.3 -1,-0.3 0.839 85.8 64.8 -54.9 -30.7 -30.7 7.5 12.8 123 123 A W G <4 S+ 0 0 56 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.726 112.2 30.9 -70.2 -19.3 -27.4 6.2 11.4 124 124 A I G X4 S+ 0 0 36 -3,-1.8 3,-1.8 -4,-0.3 -1,-0.2 0.343 88.3 131.6-115.4 3.9 -25.6 9.6 11.8 125 125 A R T << S+ 0 0 116 -4,-0.9 3,-0.1 -3,-0.5 -119,-0.1 -0.302 77.3 10.9 -62.4 134.8 -27.6 10.8 14.8 126 126 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -120,-0.0 2,-0.2 0.207 94.7 134.5 85.1 -15.2 -25.3 12.1 17.5 127 127 A a < - 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