==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 20-JUL-95 5LYM . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.T.RAO,M.SUNDARALINGAM . 258 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.8 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 . 23 8.9 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.2 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 2 2 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 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 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 91 0, 0.0 39,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 140.6 0.0 44.6 16.3 2 2 A V B -A 39 0A 96 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.973 360.0-144.1-107.7 119.7 1.9 45.1 19.6 3 3 A F - 0 0 13 35,-2.7 2,-0.2 -2,-0.6 3,-0.0 -0.516 9.5-121.2 -78.1 152.6 -0.7 45.5 22.4 4 4 A G > - 0 0 35 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.582 34.7-109.5 -74.4 152.4 -0.4 47.7 25.4 5 5 A R H > S+ 0 0 70 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.926 117.2 35.7 -58.3 -48.8 -0.6 45.8 28.7 6 6 A a H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.824 113.5 59.4 -76.2 -27.3 -4.0 47.0 29.8 7 7 A E H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.960 112.0 40.2 -60.7 -50.8 -5.3 47.0 26.2 8 8 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.925 112.1 56.1 -61.4 -44.4 -4.5 43.3 26.1 9 9 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.922 110.0 45.8 -58.4 -40.5 -5.8 42.7 29.6 10 10 A A H X S+ 0 0 33 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.923 112.3 50.8 -65.8 -43.2 -9.2 44.2 28.5 11 11 A A H X S+ 0 0 3 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.918 112.0 47.6 -59.1 -42.4 -9.2 42.2 25.3 12 12 A M H ><>S+ 0 0 0 -4,-3.1 5,-2.1 2,-0.2 3,-0.7 0.903 110.9 49.9 -71.4 -40.4 -8.5 39.0 27.2 13 13 A K H ><5S+ 0 0 83 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.931 107.5 55.3 -65.6 -41.3 -11.2 39.7 29.8 14 14 A R H 3<5S+ 0 0 176 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.731 106.4 52.4 -58.7 -25.5 -13.6 40.4 27.1 15 15 A H T <<5S- 0 0 44 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.207 122.5-104.2-100.0 15.5 -12.9 37.0 25.6 16 16 A G T < 5S+ 0 0 37 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.636 80.0 128.0 84.8 15.2 -13.5 35.2 28.9 17 17 A L > < + 0 0 0 -5,-2.1 3,-1.8 2,-0.1 2,-0.4 0.710 35.2 108.3 -83.4 -15.4 -10.0 34.5 30.2 18 18 A D T 3 S- 0 0 54 1,-0.3 6,-0.2 -6,-0.2 3,-0.1 -0.431 105.7 -13.4 -71.6 118.6 -10.2 35.9 33.7 19 19 A N T > S+ 0 0 97 4,-1.9 3,-2.3 -2,-0.4 -1,-0.3 0.620 91.8 162.3 67.0 17.0 -10.3 33.1 36.2 20 20 A Y B X S-B 23 0B 77 -3,-1.8 3,-2.0 3,-0.8 -1,-0.3 -0.485 79.5 -0.1 -66.6 125.8 -11.0 30.7 33.3 21 21 A R T 3 S- 0 0 126 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.815 137.4 -62.2 56.6 29.8 -10.2 27.3 34.7 22 22 A G T < S+ 0 0 63 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.580 104.3 133.2 78.1 13.6 -9.3 29.1 37.8 23 23 A Y B < -B 20 0B 35 -3,-2.0 -4,-1.9 -6,-0.2 -3,-0.8 -0.867 53.9-127.7-105.8 114.0 -6.5 31.2 36.3 24 24 A S >> - 0 0 45 -2,-0.7 3,-1.8 -5,-0.2 4,-1.1 -0.238 23.9-111.5 -48.6 146.9 -6.5 35.0 37.0 25 25 A L H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.793 117.9 65.0 -45.3 -37.6 -6.3 37.4 34.2 26 26 A G H 3> S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.835 96.7 56.1 -63.5 -32.7 -2.9 38.3 35.5 27 27 A N H <> S+ 0 0 18 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.936 109.5 45.3 -60.4 -46.2 -1.7 34.8 34.7 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.2 -2,-0.2 0.913 113.8 48.1 -66.6 -45.1 -2.8 35.2 31.1 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 112.4 50.0 -63.1 -43.1 -1.2 38.7 30.7 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.942 110.6 49.2 -60.3 -43.9 2.1 37.5 32.3 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.973 111.6 48.4 -62.8 -49.6 2.2 34.5 29.9 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 6,-1.2 0.898 110.5 53.7 -61.9 -35.6 1.6 36.7 26.8 33 33 A K H X5S+ 0 0 57 -4,-2.3 4,-1.5 4,-0.2 -1,-0.2 0.982 117.0 35.2 -59.0 -53.7 4.3 39.1 28.0 34 34 A F H <5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.705 120.2 49.6 -81.6 -17.9 6.9 36.4 28.3 35 35 A E H <5S- 0 0 31 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.912 137.6 -6.1 -78.6 -49.6 5.7 34.4 25.3 36 36 A S H ><5S- 0 0 11 -4,-2.2 3,-1.0 19,-0.4 -3,-0.2 0.457 85.6-116.8-127.2 -3.1 5.5 37.1 22.6 37 37 A N T 3< - 0 0 49 4,-3.2 3,-1.8 -2,-0.5 -2,-0.0 -0.649 25.6-115.7 -94.6 163.9 11.7 25.2 16.8 47 47 A T T 3 S+ 0 0 149 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.844 111.9 74.5 -63.8 -32.7 14.3 22.5 16.1 48 48 A D T 3 S- 0 0 89 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.646 117.2-112.6 -42.4 -27.2 11.3 20.1 15.9 49 49 A G S < S+ 0 0 13 -3,-1.8 2,-0.1 1,-0.5 -2,-0.1 0.345 87.3 116.0 91.7 -4.3 10.5 21.7 12.6 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.0 -1,-0.5 -0.435 54.8-148.7 -87.6 167.8 7.5 23.1 14.3 51 51 A T E -C 45 0C 5 -6,-0.3 9,-2.5 -2,-0.1 2,-0.4 -0.988 8.6-133.7-139.3 141.9 6.9 26.8 14.8 52 52 A D E -CD 44 59C 26 -8,-2.8 -8,-1.7 -2,-0.3 2,-0.4 -0.871 28.9-155.0 -94.2 132.2 5.1 28.7 17.6 53 53 A Y E > -CD 43 58C 18 5,-2.7 5,-2.4 -2,-0.4 3,-0.4 -0.913 32.2 -19.0-118.8 132.6 2.6 31.4 16.4 54 54 A G T > 5S- 0 0 0 -12,-2.3 3,-1.6 -2,-0.4 30,-0.1 -0.133 98.0 -28.3 92.6-170.1 1.2 34.6 17.8 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.713 140.9 33.6 -62.4 -26.6 0.6 36.3 21.1 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.259 107.0-123.9-115.7 12.9 0.4 33.0 23.0 57 57 A Q T < 5 - 0 0 12 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.907 33.6-164.8 54.1 55.6 2.9 31.2 20.8 58 58 A I E < -D 53 0C 2 -5,-2.4 -5,-2.7 -6,-0.1 2,-0.3 -0.555 18.6-118.6 -76.1 139.2 0.7 28.3 19.9 59 59 A N E >>> -D 52 0C 23 -7,-0.2 4,-2.0 -2,-0.2 3,-0.7 -0.571 6.6-146.1 -87.8 136.2 2.6 25.3 18.4 60 60 A S T 345S+ 0 0 0 -9,-2.5 6,-0.3 -2,-0.3 9,-0.1 0.601 88.8 76.6 -74.6 -8.3 2.0 24.0 14.9 61 61 A R T 345S+ 0 0 47 11,-0.2 12,-2.4 -10,-0.1 -1,-0.2 0.921 120.4 0.0 -68.9 -35.3 2.7 20.3 15.8 62 62 A W T <45S+ 0 0 111 -3,-0.7 13,-3.0 10,-0.2 -2,-0.2 0.715 131.3 43.4-119.4 -24.9 -0.7 19.9 17.5 63 63 A W T <5S+ 0 0 27 -4,-2.0 13,-2.4 11,-0.3 15,-0.4 0.846 107.2 18.5-108.0 -33.3 -2.8 23.0 17.4 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 9,-0.1 -1,-0.2 -0.968 69.7-113.1-140.5 154.8 -2.8 24.8 14.0 65 65 A N B +e 79 0D 73 13,-2.7 15,-3.0 -2,-0.3 16,-0.4 -0.763 36.6 157.4 -91.5 121.1 -1.9 23.9 10.4 66 66 A D - 0 0 32 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.0 0.259 51.6-128.9-109.2 -0.0 1.1 25.7 8.8 67 67 A G S S+ 0 0 60 -7,-0.1 -2,-0.1 1,-0.1 -7,-0.0 0.636 93.6 77.3 65.9 12.1 1.5 22.9 6.2 68 68 A R + 0 0 156 -8,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.289 65.6 99.1-129.2 14.2 5.2 22.5 7.0 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.3 4,-0.0 2,-0.1 -0.873 70.3-130.8-110.9 116.6 5.2 20.5 10.2 70 70 A P T 3 S+ 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -20,-0.0 -0.411 89.9 5.1 -64.4 132.3 5.7 16.7 10.0 71 71 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.860 91.9 161.6 64.2 35.7 3.1 14.8 11.8 72 72 A S < - 0 0 38 -3,-1.3 2,-0.2 2,-0.0 -10,-0.2 -0.650 24.3-161.6 -83.2 147.3 1.1 17.8 12.7 73 73 A R - 0 0 137 -12,-2.4 2,-0.2 -2,-0.3 -9,-0.1 -0.659 15.8-136.6-108.2 178.1 -2.5 17.6 13.8 74 74 A N > + 0 0 56 -2,-0.2 3,-0.7 1,-0.1 -11,-0.3 -0.511 33.0 162.6-138.7 70.8 -4.7 20.5 13.7 75 75 A L T 3 S+ 0 0 69 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.759 77.9 46.4 -66.7 -28.1 -6.6 20.4 16.9 76 76 A d T 3 S- 0 0 10 -13,-2.4 -1,-0.3 2,-0.2 -12,-0.1 0.625 104.6-132.4 -89.7 -9.2 -7.8 24.0 16.9 77 77 A N < + 0 0 130 -3,-0.7 -13,-0.1 -14,-0.4 -2,-0.1 0.914 64.0 111.7 63.9 43.3 -8.8 23.6 13.3 78 78 A I S S- 0 0 38 -15,-0.4 -13,-2.7 12,-0.0 -1,-0.3 -0.987 73.5-103.7-138.3 156.7 -7.3 26.7 12.0 79 79 A P B > -e 65 0D 67 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.508 34.7-125.3 -67.9 144.6 -4.4 27.8 9.7 80 80 A c G > S+ 0 0 1 -15,-3.0 3,-1.1 1,-0.2 -14,-0.2 0.773 108.4 69.8 -68.0 -23.1 -1.5 29.0 11.9 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-2.1 1,-0.2 -1,-0.2 0.850 89.0 63.8 -60.1 -34.8 -1.6 32.3 9.9 82 82 A A G X S+ 0 0 31 -3,-1.0 3,-1.0 1,-0.3 9,-0.3 0.768 94.2 61.0 -62.1 -21.5 -4.9 33.0 11.6 83 83 A L G < S+ 0 0 3 -3,-1.1 -28,-0.5 -4,-0.4 -1,-0.3 0.533 95.6 64.0 -84.4 -3.4 -3.0 33.1 14.9 84 84 A L G < S+ 0 0 39 -3,-2.1 -1,-0.2 -30,-0.1 -2,-0.2 0.332 79.8 111.9 -99.0 11.0 -1.0 36.0 13.6 85 85 A S S < S- 0 0 42 -3,-1.0 6,-0.1 2,-0.2 -3,-0.0 -0.282 77.2-116.0 -83.1 165.8 -3.8 38.5 13.2 86 86 A S S S+ 0 0 65 -45,-0.0 2,-0.5 2,-0.0 -1,-0.1 0.724 97.9 76.7 -71.2 -21.3 -4.4 41.7 15.2 87 87 A D S S- 0 0 102 1,-0.1 3,-0.4 -47,-0.0 4,-0.3 -0.805 73.0-150.7 -91.9 137.8 -7.6 40.4 16.7 88 88 A I > + 0 0 7 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.508 66.6 103.2 -86.7 -7.8 -7.0 37.9 19.5 89 89 A T H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.854 83.1 45.1 -43.8 -53.1 -10.2 35.7 19.1 90 90 A A H > S+ 0 0 26 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.936 115.2 47.6 -64.8 -51.2 -8.6 32.7 17.3 91 91 A S H > S+ 0 0 6 -4,-0.3 4,-2.6 -9,-0.3 -1,-0.2 0.898 114.7 46.4 -50.6 -47.9 -5.6 32.7 19.7 92 92 A V H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.898 111.6 50.7 -66.4 -43.5 -7.8 32.9 22.8 93 93 A N H X S+ 0 0 78 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.884 114.3 44.3 -61.5 -36.2 -10.3 30.2 21.6 94 94 A d H >X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.3 3,-1.0 0.942 109.7 55.5 -76.7 -38.0 -7.4 27.9 20.9 95 95 A A H 3X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.3 5,-0.2 0.853 100.6 60.0 -63.7 -32.7 -5.7 28.7 24.2 96 96 A K H 3X S+ 0 0 46 -4,-2.1 4,-0.7 2,-0.2 -1,-0.3 0.864 108.3 45.1 -61.0 -35.3 -8.9 27.7 26.0 97 97 A K H << S+ 0 0 104 -3,-1.0 3,-0.4 -4,-0.9 -2,-0.2 0.912 112.9 49.6 -69.4 -48.3 -8.5 24.2 24.4 98 98 A I H >< S+ 0 0 12 -4,-2.3 3,-1.8 1,-0.2 5,-0.4 0.922 108.3 52.1 -59.8 -44.2 -4.8 24.1 25.3 99 99 A V H 3< S+ 0 0 0 -4,-3.2 5,-0.5 1,-0.3 3,-0.4 0.761 111.4 48.1 -69.2 -22.5 -5.3 25.1 29.0 100 100 A S T 3< S+ 0 0 67 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.349 87.0 93.1 -94.1 6.2 -8.0 22.3 29.4 101 101 A D S < S- 0 0 99 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 0.381 108.6 -88.8 -86.1 1.6 -5.7 19.7 27.8 102 102 A G S S+ 0 0 53 -3,-0.4 -3,-0.1 -4,-0.1 -2,-0.1 0.464 113.2 71.0 116.8 -5.9 -4.4 18.6 30.9 103 103 A N S > S- 0 0 107 -5,-0.4 3,-1.9 1,-0.3 -3,-0.1 0.204 81.6-145.0-117.4 14.2 -1.2 20.5 32.1 104 104 A G G > S- 0 0 2 -5,-0.5 3,-1.4 1,-0.3 -1,-0.3 -0.219 72.4 -19.8 51.5-139.0 -3.2 23.7 33.0 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.579 117.9 93.7 -78.7 -0.4 -1.0 26.7 32.2 106 106 A N G < + 0 0 61 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.731 66.6 81.0 -60.4 -18.6 2.1 24.6 32.3 107 107 A A G < S+ 0 0 51 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.782 82.1 67.9 -57.1 -25.0 1.6 24.3 28.5 108 108 A W S X> S- 0 0 8 -3,-2.0 4,-1.9 1,-0.2 3,-0.5 -0.825 72.8-162.0-100.2 110.7 3.3 27.7 28.2 109 109 A V H 3> S+ 0 0 92 -2,-0.9 4,-2.4 1,-0.3 5,-0.2 0.875 89.1 54.7 -64.8 -32.6 6.9 27.3 29.2 110 110 A A H 3> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.903 105.7 54.3 -70.0 -32.0 7.4 31.0 29.7 111 111 A W H <>>S+ 0 0 10 -3,-0.5 5,-2.4 2,-0.2 4,-2.3 0.951 110.4 45.2 -65.0 -47.7 4.4 31.1 32.1 112 112 A R H <5S+ 0 0 64 -4,-1.9 -2,-0.2 -7,-0.3 -1,-0.2 0.899 117.9 43.8 -70.5 -30.5 5.9 28.4 34.2 113 113 A N H <5S+ 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.816 132.1 16.6 -73.9 -33.9 9.4 30.0 34.2 114 114 A R H <5S+ 0 0 141 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.592 133.5 29.1-117.3 -14.9 8.4 33.6 34.8 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.5 -3,-0.2 0.758 80.4 108.4-119.4 -33.3 4.8 33.7 36.1 116 116 A K T 3 + 0 0 64 1,-0.2 3,-1.2 -2,-0.1 4,-0.2 -0.551 54.2 172.2 -73.5 84.5 2.3 37.8 42.4 120 120 A V G > + 0 0 16 -2,-2.0 3,-1.7 1,-0.2 4,-0.2 0.664 62.3 82.1 -72.5 -14.0 0.7 37.8 39.0 121 121 A Q G > S+ 0 0 157 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.820 78.3 72.9 -62.5 -28.5 -1.9 40.4 40.2 122 122 A A G X S+ 0 0 37 -3,-1.2 3,-1.2 1,-0.2 -1,-0.3 0.754 84.7 65.1 -49.4 -28.5 0.9 43.0 39.4 123 123 A W G < S+ 0 0 52 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.608 100.0 50.7 -75.4 -11.5 0.3 42.5 35.6 124 124 A I G X S+ 0 0 39 -3,-1.5 3,-1.6 -4,-0.2 -1,-0.3 0.145 83.1 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28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.818 139.3 34.1 -65.7 -30.8 16.3 34.7 50.4 186 56 B L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.197 105.9-122.5-106.2 13.2 15.3 31.8 52.7 187 57 B Q T < 5 - 0 0 24 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.895 37.2-168.2 44.2 60.5 17.7 29.2 51.1 188 58 B I E < -I 183 0G 1 -5,-2.2 -5,-2.1 25,-0.1 2,-0.4 -0.595 17.1-121.6 -85.9 132.4 14.9 26.8 50.2 189 59 B N E >> -I 182 0G 30 -2,-0.3 4,-2.0 -7,-0.2 3,-0.7 -0.626 4.2-144.3 -89.5 135.4 16.2 23.4 49.2 190 60 B S T 34 S+ 0 0 0 -9,-2.6 6,-0.2 -2,-0.4 9,-0.1 0.577 87.9 77.4 -69.4 -14.3 15.5 21.7 45.8 191 61 B R T 34 S+ 0 0 72 -10,-0.2 12,-2.1 11,-0.1 -1,-0.2 0.931 118.9 2.1 -61.3 -44.2 15.3 18.1 47.2 192 62 B W T <4 S+ 0 0 105 -3,-0.7 13,-2.9 10,-0.2 -2,-0.2 0.725 131.0 44.5-111.3 -29.9 11.8 18.6 48.6 193 63 B W S < S+ 0 0 28 -4,-2.0 13,-2.2 11,-0.3 15,-0.3 0.809 106.7 19.4-109.7 -26.5 10.4 22.0 47.9 194 64 B g - 0 0 0 -5,-0.5 2,-0.6 9,-0.2 -1,-0.2 -0.945 68.2-114.7-142.5 162.3 11.0 23.2 44.3 195 65 B N B +j 209 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-0.410 77.1-124.8 -81.2 159.3 13.2 36.6 41.9 216 86 B S S S+ 0 0 75 -2,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.667 97.9 83.7 -76.9 -10.8 13.1 40.1 43.5 217 87 B D S S- 0 0 49 1,-0.1 3,-0.4 -5,-0.1 4,-0.3 -0.841 70.4-161.1 -86.5 119.2 9.4 39.4 44.1 218 88 B I > + 0 0 6 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.399 61.6 103.2 -86.1 6.0 9.4 37.3 47.4 219 89 B T H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.912 83.0 45.2 -55.7 -48.5 5.8 35.8 47.0 220 90 B A H > S+ 0 0 3 -3,-0.4 4,-2.4 -8,-0.3 5,-0.2 0.934 115.3 47.5 -67.6 -44.8 7.0 32.3 45.9 221 91 B S H > S+ 0 0 5 -9,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.925 115.6 45.7 -57.0 -45.5 9.7 32.2 48.7 222 92 B V H X S+ 0 0 1 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.924 113.6 48.5 -68.7 -41.6 7.1 33.4 51.3 223 93 B N H X S+ 0 0 75 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.914 114.4 45.2 -64.4 -40.5 4.4 31.0 50.2 224 94 B h H >X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.3 3,-0.7 0.936 109.0 55.4 -70.7 -44.0 6.8 28.0 50.1 225 95 B A H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.820 101.7 58.9 -60.2 -29.4 8.3 28.9 53.6 226 96 B K H 3X S+ 0 0 43 -4,-1.6 4,-0.7 2,-0.2 -1,-0.3 0.901 108.4 46.2 -63.2 -35.8 4.7 28.8 55.0 227 97 B K H X< S+ 0 0 96 -4,-1.2 3,-0.8 -3,-0.7 -2,-0.2 0.957 112.8 49.8 -68.9 -46.7 4.6 25.2 53.7 228 98 B I H >< S+ 0 0 11 -4,-2.5 3,-1.9 1,-0.3 5,-0.4 0.905 108.3 50.0 -58.0 -50.0 8.0 24.5 55.2 229 99 B V H 3< S+ 0 0 4 -4,-2.7 5,-0.4 1,-0.3 3,-0.4 0.667 109.5 54.2 -70.1 -17.2 7.4 25.8 58.7 230 100 B S T << S+ 0 0 50 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.407 83.8 90.5 -87.8 -0.4 4.2 23.8 58.9 231 101 B D S < S- 0 0 108 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.302 110.9 -86.6 -89.6 8.9 5.9 20.5 58.1 232 102 B G S S+ 0 0 73 -3,-0.4 -3,-0.1 -4,-0.1 -2,-0.1 0.427 114.6 69.3 113.9 -6.5 6.7 19.5 61.7 233 103 B N S > S- 0 0 92 -5,-0.4 3,-1.9 1,-0.3 4,-0.2 0.300 77.4-153.2-121.6 9.4 10.0 21.1 62.7 234 104 B G G > - 0 0 14 -5,-0.4 3,-1.1 1,-0.2 -1,-0.3 -0.243 69.7 -20.7 48.7-134.9 8.9 24.8 62.8 235 105 B M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.546 116.3 92.1 -81.9 -1.6 11.8 27.1 62.1 236 106 B N G < + 0 0 34 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.622 69.5 79.4 -66.0 -9.5 14.4 24.5 63.0 237 107 B A G < S+ 0 0 48 -3,-1.1 2,-0.7 -4,-0.2 -1,-0.3 0.654 82.3 69.4 -66.6 -19.4 14.3 23.8 59.2 238 108 B W S <> S- 0 0 7 -3,-2.1 4,-2.1 1,-0.2 5,-0.2 -0.897 71.9-161.5-103.7 112.3 16.5 26.8 58.7 239 109 B V H > S+ 0 0 74 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.910 89.8 52.8 -62.2 -45.6 20.0 26.0 60.0 240 110 B A H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 5,-0.5 0.888 108.2 52.1 -60.3 -33.6 21.1 29.6 60.2 241 111 B W H >>S+ 0 0 15 2,-0.2 5,-2.6 1,-0.2 4,-2.2 0.944 109.0 50.8 -62.3 -48.9 18.0 30.4 62.3 242 112 B R H <5S+ 0 0 102 -4,-2.1 -2,-0.2 -7,-0.3 -1,-0.2 0.892 119.1 36.4 -55.7 -40.3 18.8 27.6 64.7 243 113 B N H <5S+ 0 0 118 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.756 131.6 21.6 -89.8 -28.2 22.3 28.8 65.2 244 114 B R H <5S+ 0 0 155 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.616 130.3 29.2-120.5 -17.8 22.0 32.6 65.1 245 115 B f T ><5S+ 0 0 1 -4,-2.2 3,-2.0 -5,-0.5 -3,-0.2 0.724 86.3 100.6-111.6 -38.0 18.4 33.5 66.0 246 116 B K T 3 + 0 0 127 1,-0.2 3,-2.0 -2,-0.2 4,-0.2 -0.577 50.2 177.2 -87.5 81.4 15.6 38.6 71.5 250 120 B V G > + 0 0 11 -2,-1.9 3,-1.8 1,-0.3 4,-0.3 0.745 65.7 78.4 -71.4 -17.1 14.6 38.3 67.9 251 121 B Q G > S+ 0 0 77 1,-0.3 3,-1.6 -3,-0.2 -1,-0.3 0.789 76.5 77.2 -61.1 -17.7 12.3 41.4 68.2 252 122 B A G X S+ 0 0 30 -3,-2.0 3,-1.6 1,-0.2 -1,-0.3 0.824 82.2 66.3 -55.8 -28.0 15.6 43.4 67.9 253 123 B W G < S+ 0 0 61 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.679 105.3 42.4 -70.5 -16.8 15.5 42.6 64.1 254 124 B I G X S+ 0 0 35 -3,-1.6 3,-1.7 -4,-0.3 -1,-0.3 0.202 84.1 132.7-104.8 7.9 12.3 44.8 63.7 255 125 B R T < S+ 0 0 171 -3,-1.6 3,-0.1 1,-0.3 -119,-0.1 -0.453 78.5 9.8 -66.3 127.0 13.7 47.5 66.0 256 126 B G T 3 S+ 0 0 65 1,-0.4 -1,-0.3 -2,-0.1 2,-0.3 0.319 100.2 108.1 87.6 -10.5 13.1 50.9 64.3 257 127 B e < - 0 0 9 -3,-1.7 2,-0.5 -122,-0.0 -1,-0.4 -0.683 55.1-161.4 -76.8 152.0 10.8 49.5 61.6 258 128 B R 0 0 245 -2,-0.3 -3,-0.0 -3,-0.1 -118,-0.0 -0.970 360.0 360.0-134.0 123.1 7.3 50.7 62.4 259 129 B L 0 0 113 -2,-0.5 -119,-0.0 -5,-0.1 -123,-0.0 -0.723 360.0 360.0-132.5 360.0 5.0 48.6 60.5