==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-02 1LJK . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR N.T.SARASWATHI,R.SANKARANARAYANAN,M.VIJAYAN . 258 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 4 2 2 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 2 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 83 0, 0.0 39,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 140.1 0.0 45.0 16.0 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.933 360.0-146.3-109.4 115.5 1.7 45.7 19.3 3 3 A F - 0 0 15 35,-2.2 2,-0.2 -2,-0.6 3,-0.0 -0.457 12.0-122.7 -80.1 151.5 -0.8 46.0 22.2 4 4 A G > - 0 0 36 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.545 35.4-108.2 -82.3 160.9 -0.4 48.3 25.2 5 5 A R H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.926 118.1 36.9 -58.4 -50.3 -0.5 46.4 28.5 6 6 A a H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.810 113.1 59.5 -72.3 -30.2 -3.9 47.6 29.6 7 7 A E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 109.5 42.5 -63.1 -44.3 -5.3 47.5 26.1 8 8 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.919 111.0 56.7 -67.6 -43.5 -4.5 43.8 25.9 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.918 109.0 45.8 -53.9 -47.4 -5.8 43.2 29.4 10 10 A A H X S+ 0 0 28 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.942 112.0 51.9 -61.8 -47.3 -9.2 44.7 28.4 11 11 A A H X S+ 0 0 6 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.906 112.8 44.1 -56.4 -45.8 -9.2 42.7 25.1 12 12 A M H <>S+ 0 0 2 -4,-2.9 5,-1.8 2,-0.2 3,-0.5 0.917 112.3 51.9 -66.4 -44.3 -8.6 39.4 27.0 13 13 A K H ><5S+ 0 0 81 -4,-2.5 3,-1.6 -5,-0.3 -2,-0.2 0.914 108.0 54.0 -56.2 -42.4 -11.1 40.3 29.7 14 14 A R H 3<5S+ 0 0 179 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.794 107.0 50.6 -63.1 -30.4 -13.5 40.9 26.9 15 15 A H T 3<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.289 121.9-105.5 -93.2 10.4 -12.9 37.4 25.5 16 16 A G T < 5S+ 0 0 36 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.783 79.6 127.9 76.0 32.3 -13.5 35.8 28.8 17 17 A L > < + 0 0 0 -5,-1.8 3,-2.3 2,-0.1 2,-0.3 0.729 36.9 107.9 -90.2 -24.0 -9.9 34.8 30.0 18 18 A D T 3 S- 0 0 60 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.397 105.2 -10.1 -59.5 114.4 -10.1 36.5 33.4 19 19 A N T > S+ 0 0 99 4,-1.9 3,-2.4 -2,-0.3 -1,-0.3 0.547 91.6 161.3 72.5 9.0 -10.3 33.5 35.9 20 20 A Y B X S-B 23 0B 77 -3,-2.3 3,-1.6 3,-0.7 -1,-0.3 -0.467 78.8 -4.4 -63.3 124.6 -10.9 31.1 33.0 21 21 A R T 3 S- 0 0 152 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.758 136.3 -58.5 60.0 24.0 -10.1 27.6 34.4 22 22 A G T < S+ 0 0 67 -3,-2.4 2,-0.7 1,-0.2 -1,-0.3 0.587 105.5 130.5 83.8 11.6 -9.1 29.4 37.6 23 23 A Y B < -B 20 0B 49 -3,-1.6 -4,-1.9 -6,-0.2 -3,-0.7 -0.883 52.9-134.3-105.5 113.6 -6.4 31.6 36.0 24 24 A S >> - 0 0 39 -2,-0.7 4,-1.1 -5,-0.2 3,-1.0 -0.158 26.2-106.2 -60.7 155.6 -6.6 35.3 36.8 25 25 A L H 3> S+ 0 0 7 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.866 118.0 64.8 -51.4 -39.5 -6.3 37.9 34.0 26 26 A G H 3> S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.888 96.9 55.1 -53.3 -44.0 -2.8 38.8 35.3 27 27 A N H <> S+ 0 0 22 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.911 110.1 46.2 -55.3 -45.5 -1.6 35.3 34.4 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.899 112.9 47.8 -66.8 -42.6 -2.7 35.7 30.8 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.883 113.5 49.3 -65.6 -37.8 -1.3 39.2 30.4 30 30 A b H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.878 109.2 51.4 -69.1 -38.9 2.0 38.0 31.9 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 5,-0.3 0.958 111.3 48.3 -61.8 -49.6 2.1 35.0 29.6 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 6,-1.2 0.880 107.7 55.8 -57.6 -41.4 1.6 37.2 26.6 33 33 A K H X5S+ 0 0 57 -4,-2.0 4,-1.1 4,-0.2 -1,-0.2 0.938 116.6 33.6 -59.1 -49.1 4.3 39.7 27.7 34 34 A F H <5S+ 0 0 73 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.629 118.4 51.6 -86.0 -14.6 7.1 37.1 27.9 35 35 A E H <5S- 0 0 33 -4,-1.8 -2,-0.2 20,-0.2 -3,-0.2 0.871 139.2 -7.9 -86.2 -41.7 5.9 34.8 25.0 36 36 A S H ><5S- 0 0 12 -4,-2.2 3,-1.4 19,-0.4 -3,-0.2 0.372 85.4-116.8-137.4 2.5 5.6 37.6 22.4 37 37 A N T 3< - 0 0 43 4,-3.3 3,-0.8 -2,-0.4 -1,-0.0 -0.493 21.4-117.7 -94.6 169.9 11.8 25.7 16.7 47 47 A T T 3 S+ 0 0 157 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.578 108.4 67.9 -83.6 -10.0 14.5 23.2 15.9 48 48 A D T 3 S- 0 0 75 2,-0.1 -1,-0.2 21,-0.0 3,-0.1 0.322 122.4 -98.4 -91.3 8.1 12.0 20.3 15.6 49 49 A G S < S+ 0 0 18 -3,-0.8 2,-0.2 1,-0.4 -2,-0.1 0.372 91.0 111.4 92.9 -4.9 10.5 21.9 12.4 50 50 A S - 0 0 1 19,-0.1 -4,-3.3 -5,-0.0 -1,-0.4 -0.493 52.0-149.0 -96.8 170.0 7.6 23.5 14.2 51 51 A T E -C 45 0C 3 -6,-0.3 9,-1.9 -2,-0.2 2,-0.4 -0.997 9.4-134.1-141.3 143.3 6.9 27.2 14.7 52 52 A D E -CD 44 59C 25 -8,-2.9 -8,-1.8 -2,-0.3 2,-0.4 -0.840 28.2-157.4 -97.7 134.9 5.1 29.2 17.4 53 53 A Y E > -CD 43 58C 17 5,-2.5 5,-2.5 -2,-0.4 3,-0.4 -0.910 32.0 -15.4-122.5 143.4 2.7 31.9 16.3 54 54 A G T > 5S- 0 0 0 -12,-2.0 3,-1.9 -2,-0.4 30,-0.2 -0.052 97.9 -31.7 77.7-173.7 1.2 35.1 17.6 55 55 A I T 3 5S+ 0 0 3 28,-0.4 -19,-0.4 1,-0.3 -17,-0.3 0.681 141.5 35.2 -57.9 -24.0 0.7 36.8 20.9 56 56 A L T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.188 106.4-124.9-116.9 15.4 0.5 33.5 22.8 57 57 A Q T < 5 - 0 0 17 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.905 33.2-165.3 40.9 67.3 3.0 31.6 20.7 58 58 A I E < -D 53 0C 2 -5,-2.5 -5,-2.5 25,-0.1 2,-0.3 -0.668 18.0-118.3 -84.7 135.7 0.8 28.7 19.7 59 59 A N E >>> -D 52 0C 24 -2,-0.3 4,-1.8 -7,-0.2 3,-0.6 -0.535 8.8-150.3 -82.1 136.1 2.6 25.7 18.2 60 60 A S T 345S+ 0 0 0 -9,-1.9 6,-0.2 -2,-0.3 9,-0.1 0.655 85.9 79.0 -75.0 -17.9 2.1 24.4 14.7 61 61 A R T 345S- 0 0 53 11,-0.2 12,-2.1 -10,-0.1 -1,-0.2 0.874 121.0 -3.8 -60.6 -35.4 3.0 20.8 15.6 62 62 A W T <45S+ 0 0 142 -3,-0.6 13,-2.4 10,-0.2 14,-0.2 0.673 131.5 48.1-128.4 -31.0 -0.5 20.2 17.1 63 63 A W T <5S+ 0 0 20 -4,-1.8 13,-1.4 11,-0.2 15,-0.4 0.752 108.6 16.8 -93.6 -26.8 -2.7 23.3 17.2 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 9,-0.3 -1,-0.1 -0.970 68.0-115.0-145.0 161.5 -2.6 24.9 13.7 65 65 A N B +e 79 0D 76 13,-2.3 15,-2.2 -2,-0.3 16,-0.4 -0.857 32.8 159.4-102.3 123.2 -1.7 24.2 10.1 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 -6,-0.0 0.184 54.7-123.1-119.4 10.8 1.1 26.1 8.5 67 67 A G S S+ 0 0 65 -7,-0.1 -2,-0.1 1,-0.1 -7,-0.0 0.631 95.8 72.9 57.6 19.6 1.5 23.4 5.9 68 68 A R + 0 0 149 2,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.125 64.9 100.5-148.2 24.5 5.2 22.7 6.6 69 69 A T S > S- 0 0 10 -9,-0.1 3,-1.0 -8,-0.0 -2,-0.1 -0.963 72.3-120.0-119.1 116.0 5.3 20.9 9.9 70 70 A P T 3 S- 0 0 85 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.160 89.7 -3.5 -52.5 140.9 5.8 17.0 9.8 71 71 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -9,-0.0 0, 0.0 0.861 94.1 169.7 38.8 50.2 3.0 14.9 11.3 72 72 A S < - 0 0 41 -3,-1.0 2,-0.3 2,-0.0 -10,-0.2 -0.679 24.4-151.4 -93.7 145.9 1.2 18.0 12.4 73 73 A R - 0 0 165 -12,-2.1 -9,-0.3 -2,-0.3 2,-0.2 -0.789 7.6-147.8-110.1 155.6 -2.3 18.0 13.8 74 74 A N > + 0 0 56 -2,-0.3 3,-1.7 1,-0.1 -11,-0.2 -0.537 31.5 159.1-123.2 64.6 -4.7 20.9 13.4 75 75 A L T 3 S+ 0 0 58 -13,-2.4 -12,-0.2 1,-0.3 -1,-0.1 0.703 75.9 50.9 -60.4 -23.8 -6.7 20.5 16.6 76 76 A d T 3 S- 0 0 26 -13,-1.4 -1,-0.3 -14,-0.2 -12,-0.1 0.504 105.1-131.5 -93.8 -3.3 -7.8 24.2 16.6 77 77 A N < + 0 0 132 -3,-1.7 -13,-0.1 1,-0.2 -2,-0.1 0.888 65.8 106.8 58.1 46.3 -9.0 23.8 13.0 78 78 A I S S- 0 0 43 -15,-0.4 -13,-2.3 12,-0.0 2,-0.3 -0.989 73.8-102.9-151.2 157.0 -7.3 26.9 11.7 79 79 A P B > -e 65 0D 65 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.618 34.0-125.1 -78.9 141.3 -4.3 28.1 9.6 80 80 A c G > S+ 0 0 2 -15,-2.2 3,-1.6 1,-0.3 -14,-0.1 0.769 107.4 69.9 -56.9 -27.0 -1.4 29.4 11.7 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.821 87.3 64.4 -61.7 -30.9 -1.5 32.7 9.8 82 82 A A G X S+ 0 0 32 -3,-1.7 3,-0.8 1,-0.3 9,-0.3 0.687 93.6 62.8 -65.7 -17.5 -4.9 33.5 11.5 83 83 A L G < S+ 0 0 1 -3,-1.6 -28,-0.4 -4,-0.4 -1,-0.3 0.370 95.0 62.0 -88.1 5.2 -3.0 33.6 14.8 84 84 A L G < S+ 0 0 38 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.142 81.3 113.2-113.5 16.1 -0.9 36.5 13.4 85 85 A S S < S- 0 0 49 -3,-0.8 6,-0.1 2,-0.3 -3,-0.0 -0.389 77.9-116.9 -87.1 167.3 -3.8 38.9 13.0 86 86 A S S S+ 0 0 74 -2,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.600 101.7 76.6 -77.0 -12.5 -4.5 42.1 14.9 87 87 A D - 0 0 91 -5,-0.1 3,-0.4 1,-0.1 4,-0.3 -0.904 68.9-161.5-100.5 120.1 -7.7 40.5 16.2 88 88 A I > + 0 0 7 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.412 62.1 105.1 -84.6 2.4 -6.8 38.0 19.0 89 89 A T H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.928 81.6 48.0 -46.4 -56.9 -10.1 36.1 18.9 90 90 A A H > S+ 0 0 28 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.931 113.0 47.3 -50.9 -54.0 -8.5 33.1 17.1 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.3 -9,-0.3 -1,-0.2 0.868 112.8 50.2 -56.9 -41.1 -5.6 33.0 19.5 92 92 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.942 110.1 47.3 -65.5 -50.4 -7.9 33.2 22.6 93 93 A N H X S+ 0 0 87 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.892 115.9 45.9 -59.9 -38.9 -10.3 30.5 21.5 94 94 A d H >X S+ 0 0 6 -4,-2.2 4,-1.6 -5,-0.3 3,-0.6 0.881 110.6 53.2 -70.7 -37.9 -7.4 28.2 20.7 95 95 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.884 102.0 60.0 -63.0 -39.1 -5.7 29.1 24.0 96 96 A K H 3< S+ 0 0 49 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.808 107.3 46.5 -59.1 -30.2 -8.9 28.1 25.8 97 97 A K H << S+ 0 0 90 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.822 112.0 49.5 -82.0 -32.0 -8.5 24.7 24.4 98 98 A I H >< S+ 0 0 12 -4,-1.6 3,-2.2 1,-0.2 5,-0.4 0.924 106.2 54.1 -72.3 -43.9 -4.8 24.3 25.2 99 99 A V T 3< S+ 0 0 1 -4,-2.9 5,-0.4 1,-0.3 3,-0.2 0.676 110.7 49.4 -64.5 -15.4 -5.1 25.4 28.9 100 100 A S T 3 S+ 0 0 43 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.266 83.6 97.3-104.5 9.4 -7.8 22.7 29.2 101 101 A D S < S- 0 0 87 -3,-2.2 -1,-0.2 3,-0.2 -2,-0.1 0.130 109.5 -85.5 -87.1 19.2 -5.5 20.0 27.6 102 102 A G S S+ 0 0 64 -3,-0.2 -2,-0.1 0, 0.0 -3,-0.1 0.528 115.5 73.1 95.4 6.4 -4.3 18.6 30.9 103 103 A N S > S- 0 0 100 -5,-0.4 3,-1.7 1,-0.3 -3,-0.1 0.293 80.0-143.4-131.9 5.7 -1.3 20.8 31.8 104 104 A G G > S- 0 0 16 -5,-0.4 3,-0.9 1,-0.3 -1,-0.3 -0.308 70.7 -29.0 60.8-148.7 -3.0 24.1 32.9 105 105 A M G > S+ 0 0 0 1,-0.2 3,-2.0 2,-0.1 -1,-0.3 0.460 116.4 97.0 -80.2 2.3 -1.0 27.1 31.9 106 106 A N G < + 0 0 65 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.630 63.3 83.8 -64.1 -9.9 2.2 25.1 32.1 107 107 A A G < S+ 0 0 51 -3,-0.9 2,-0.8 1,-0.1 -1,-0.3 0.730 80.8 67.8 -64.2 -22.8 1.8 24.7 28.3 108 108 A W S <> S- 0 0 8 -3,-2.0 4,-2.3 1,-0.2 3,-0.3 -0.886 70.3-164.2-103.5 109.2 3.5 28.0 27.9 109 109 A V H > S+ 0 0 88 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.846 89.4 54.9 -62.0 -34.5 7.1 27.7 28.9 110 110 A A H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.863 109.1 48.0 -67.3 -34.9 7.5 31.5 29.2 111 111 A W H >>S+ 0 0 11 -3,-0.3 5,-2.6 2,-0.2 4,-2.6 0.917 112.7 49.2 -69.0 -43.4 4.6 31.6 31.7 112 112 A R H <5S+ 0 0 74 -4,-2.3 -2,-0.2 -7,-0.2 -1,-0.2 0.909 117.2 40.9 -61.5 -44.4 6.1 28.7 33.6 113 113 A N H <5S+ 0 0 63 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.814 132.3 18.3 -77.2 -31.3 9.5 30.4 33.8 114 114 A R H <5S+ 0 0 161 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.578 130.2 31.0-120.2 -8.8 8.5 34.0 34.5 115 115 A b T ><5S+ 0 0 1 -4,-2.6 3,-2.4 -5,-0.3 -3,-0.2 0.747 83.2 102.8-117.2 -40.3 4.9 34.1 35.8 116 116 A K T 3 + 0 0 72 1,-0.2 3,-1.7 -2,-0.1 4,-0.2 -0.537 50.6 171.8 -82.4 74.0 2.5 38.3 42.1 120 120 A V G > + 0 0 16 -2,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.559 60.4 84.3 -63.9 -8.8 0.8 38.4 38.6 121 121 A Q G > S+ 0 0 150 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.808 77.5 69.6 -64.4 -28.0 -1.7 41.0 39.9 122 122 A A G X S+ 0 0 26 -3,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.790 83.9 69.2 -60.5 -28.6 0.9 43.7 39.0 123 123 A W G < S+ 0 0 60 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.568 101.1 48.1 -69.3 -4.4 0.4 43.0 35.3 124 124 A I G X S+ 0 0 41 -3,-1.9 3,-1.7 -4,-0.1 -1,-0.3 0.320 81.9 132.7-114.4 3.2 -3.0 44.5 35.7 125 125 A R T < S+ 0 0 162 -3,-1.7 3,-0.1 1,-0.3 -119,-0.0 -0.255 74.0 12.7 -60.2 140.3 -2.0 47.7 37.6 126 126 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 -120,-0.0 -1,-0.3 0.407 93.9 134.2 75.7 -3.7 -3.4 51.0 36.3 127 127 A a < - 0 0 24 -3,-1.7 2,-1.0 1,-0.1 -1,-0.3 -0.625 51.0-148.6 -82.6 136.0 -5.9 49.2 34.1 128 128 A R 0 0 233 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.697 360.0 360.0-101.7 78.1 -9.5 50.4 34.2 129 129 A L 0 0 96 -2,-1.0 -119,-0.1 -5,-0.2 -123,-0.0 -0.392 360.0 360.0 -92.6 360.0 -11.1 47.1 33.5 130 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 131 1 B K 0 0 94 0, 0.0 39,-3.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 147.0 18.2 42.6 44.4 132 2 B V B -F 169 0E 97 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.948 360.0-145.4-112.4 113.2 19.6 43.4 47.9 133 3 B F - 0 0 16 35,-2.4 2,-0.2 -2,-0.6 3,-0.0 -0.384 9.8-123.1 -77.5 154.2 16.9 44.5 50.3 134 4 B G > - 0 0 35 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.618 33.3-109.5 -88.2 156.6 17.2 47.0 53.1 135 5 B R H > S+ 0 0 84 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.939 116.7 35.3 -52.8 -58.7 16.3 45.6 56.5 136 6 B e H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.766 113.8 60.4 -70.7 -24.4 13.1 47.6 57.1 137 7 B E H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 108.3 43.4 -66.8 -44.8 12.2 47.3 53.4 138 8 B L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.910 111.9 54.1 -66.3 -43.6 12.2 43.5 53.6 139 9 B A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.906 109.2 48.2 -56.5 -44.9 10.3 43.6 56.9 140 10 B A H X S+ 0 0 20 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.908 112.7 48.9 -62.4 -43.7 7.6 45.7 55.3 141 11 B A H X S+ 0 0 7 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.878 111.9 47.5 -64.4 -41.8 7.4 43.4 52.3 142 12 B M H <>S+ 0 0 2 -4,-2.9 5,-2.1 2,-0.2 6,-0.3 0.859 109.4 54.2 -69.6 -34.3 7.1 40.3 54.4 143 13 B K H ><5S+ 0 0 82 -4,-2.1 3,-1.9 -5,-0.2 5,-0.3 0.926 105.0 54.4 -64.0 -43.0 4.4 41.9 56.6 144 14 B R H 3<5S+ 0 0 181 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.2 53.5 -60.7 -30.4 2.4 42.6 53.4 145 15 B H T 3<5S- 0 0 50 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.214 121.6-107.0 -91.0 16.3 2.6 38.9 52.5 146 16 B G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.822 79.2 130.3 66.2 37.3 1.2 37.9 55.9 147 17 B L > < + 0 0 0 -5,-2.1 3,-1.9 2,-0.1 2,-0.5 0.636 33.6 110.7 -94.7 -14.8 4.3 36.5 57.4 148 18 B D T 3 S- 0 0 72 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.480 103.5 -12.0 -66.0 112.4 4.1 38.4 60.7 149 19 B N T > S+ 0 0 96 4,-1.8 3,-2.0 -2,-0.5 2,-0.3 0.653 87.2 169.3 70.4 18.2 3.3 35.8 63.3 150 20 B Y B X S-G 153 0F 80 -3,-1.9 3,-1.5 3,-0.7 -1,-0.3 -0.497 78.7 -7.5 -63.4 122.7 2.5 33.2 60.7 151 21 B R T 3 S- 0 0 156 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.830 136.3 -52.9 55.0 38.1 2.3 30.0 62.8 152 22 B G T < S+ 0 0 64 -3,-2.0 2,-0.7 1,-0.2 -1,-0.3 0.436 105.9 125.8 83.5 0.1 3.5 31.8 65.9 153 23 B Y B < -G 150 0F 53 -3,-1.5 -4,-1.8 -6,-0.1 -3,-0.7 -0.840 53.6-137.5-100.0 112.3 6.7 33.3 64.4 154 24 B S >> - 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