==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-FEB-04 1VAT . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.TAKEDA,H.MIYATAKE,S.Y.PARK,M.KAWAMOTO,N.KAMIYA,K.MIKI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6655.0 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 20.9 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 87 0, 0.0 39,-3.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 137.0 1.8 10.1 9.3 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.912 360.0-149.4-107.5 105.7 1.9 13.3 7.4 3 3 A F - 0 0 16 35,-2.6 2,-0.2 -2,-0.7 3,-0.0 -0.290 11.2-120.5 -72.1 156.0 -1.6 14.7 7.3 4 4 A G > - 0 0 34 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.604 33.0-109.4 -88.5 159.8 -3.1 16.8 4.5 5 5 A R H > S+ 0 0 86 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.960 118.2 34.8 -55.0 -58.9 -4.3 20.2 5.6 6 6 A a H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.805 114.6 59.6 -67.9 -29.7 -8.0 19.5 5.1 7 7 A E H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 109.2 43.0 -64.3 -44.3 -7.6 15.9 6.2 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.885 110.0 57.0 -68.9 -38.5 -6.2 17.0 9.6 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.928 109.6 45.8 -57.6 -44.8 -8.9 19.7 9.9 10 10 A A H X S+ 0 0 44 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 113.0 49.6 -65.0 -42.7 -11.6 17.0 9.5 11 11 A A H X S+ 0 0 19 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.910 111.8 48.0 -63.8 -42.4 -9.8 14.7 12.0 12 12 A M H <>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 6,-0.3 0.868 111.7 50.3 -66.4 -36.4 -9.5 17.5 14.6 13 13 A K H ><5S+ 0 0 79 -4,-2.0 3,-1.7 -5,-0.3 -2,-0.2 0.906 107.5 53.3 -67.8 -42.0 -13.1 18.4 14.2 14 14 A R H 3<5S+ 0 0 190 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.9 52.1 -61.8 -33.3 -14.2 14.8 14.6 15 15 A H T 3<5S- 0 0 29 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.306 123.8-104.1 -87.1 8.4 -12.3 14.7 17.9 16 16 A G T < 5S+ 0 0 35 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.718 81.6 125.6 81.3 24.6 -14.0 17.9 19.2 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.2 2,-0.1 2,-0.5 0.710 37.4 108.8 -87.5 -19.2 -11.3 20.6 18.8 18 18 A D T 3 S- 0 0 57 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.440 105.8 -11.2 -63.0 111.0 -13.5 23.0 16.7 19 19 A N T > S+ 0 0 99 4,-1.9 3,-2.0 -2,-0.5 2,-0.3 0.639 91.6 161.6 70.9 20.5 -14.2 25.8 19.1 20 20 A Y B X S-B 23 0B 74 -3,-2.2 3,-1.9 3,-0.7 -1,-0.3 -0.554 79.0 -1.1 -71.5 127.9 -12.8 23.9 22.1 21 21 A R T 3 S- 0 0 107 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.738 136.6 -61.8 62.2 20.5 -12.1 26.4 24.9 22 22 A G T < S+ 0 0 63 -3,-2.0 2,-0.7 1,-0.2 -1,-0.3 0.471 103.7 131.6 86.5 2.7 -13.3 28.9 22.3 23 23 A Y B < -B 20 0B 42 -3,-1.9 -4,-1.9 -6,-0.1 -3,-0.7 -0.800 52.9-134.2 -95.2 113.6 -10.6 28.3 19.7 24 24 A S >> - 0 0 33 -2,-0.7 3,-1.7 -5,-0.2 4,-0.9 -0.183 28.9-101.7 -60.9 156.1 -12.0 27.8 16.2 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.809 118.3 64.7 -48.4 -39.2 -10.7 24.9 14.1 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.830 96.6 57.0 -57.0 -34.5 -8.4 27.2 12.1 27 27 A N H <> S+ 0 0 20 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.909 108.5 46.1 -64.0 -41.4 -6.3 27.9 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.885 114.0 47.1 -69.7 -40.0 -5.6 24.2 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 113.2 49.1 -67.3 -43.0 -4.7 23.6 12.1 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.928 111.1 50.4 -61.2 -45.3 -2.5 26.6 12.0 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 5,-0.2 0.922 111.5 47.7 -59.4 -44.9 -0.8 25.5 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 6,-1.3 0.884 108.3 56.5 -64.0 -39.5 -0.2 22.0 13.9 33 33 A K H X5S+ 0 0 64 -4,-2.4 4,-1.1 4,-0.2 -2,-0.2 0.946 115.7 34.5 -57.7 -50.9 1.2 23.4 10.7 34 34 A F H <5S+ 0 0 61 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.596 119.6 49.9 -84.7 -10.2 3.9 25.5 12.4 35 35 A E H <5S- 0 0 36 -4,-1.4 -2,-0.2 20,-0.3 -3,-0.2 0.869 138.6 -6.3 -91.0 -42.0 4.6 23.0 15.2 36 36 A S H ><5S- 0 0 11 -4,-2.4 3,-1.0 19,-0.4 -3,-0.2 0.437 84.2-116.4-132.7 -5.6 5.0 19.9 13.1 37 37 A N T 3< - 0 0 44 4,-3.1 3,-1.7 -2,-0.3 -1,-0.0 -0.622 23.6-113.3 -98.4 159.2 14.5 21.5 24.0 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.839 113.8 61.0 -59.8 -34.5 17.4 23.2 25.7 48 48 A D T 3 S- 0 0 112 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.496 123.0-100.8 -74.1 -2.4 16.2 22.2 29.2 49 49 A G S < S+ 0 0 22 -3,-1.7 -2,-0.1 1,-0.4 -1,-0.1 0.178 87.4 115.7 104.9 -18.3 16.5 18.5 28.3 50 50 A S - 0 0 0 -5,-0.1 -4,-3.1 19,-0.1 -1,-0.4 -0.221 54.3-138.3 -77.2 173.4 12.8 17.9 27.6 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.0 -3,-0.1 2,-0.4 -0.986 4.1-133.4-137.5 145.8 11.5 16.9 24.2 52 52 A D E -CD 44 59C 28 -8,-3.0 -8,-1.8 -2,-0.3 2,-0.4 -0.835 26.8-161.0 -99.6 136.7 8.4 17.9 22.1 53 53 A Y E > -CD 43 58C 23 5,-2.3 5,-2.3 -2,-0.4 3,-0.4 -0.947 31.9 -13.2-127.6 140.6 6.3 15.2 20.5 54 54 A G T > 5S- 0 0 0 -12,-2.0 3,-1.7 -2,-0.4 30,-0.2 -0.110 98.0 -32.4 81.4-174.0 3.7 14.9 17.7 55 55 A I T 3 5S+ 0 0 0 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.764 142.3 34.7 -56.5 -29.4 1.5 17.1 15.5 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.187 106.6-124.4-112.9 16.0 1.1 19.6 18.4 57 57 A Q T < 5 - 0 0 12 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.881 33.5-164.9 42.6 58.9 4.6 19.2 19.8 58 58 A I E < -D 53 0C 2 -5,-2.3 -5,-2.3 -6,-0.1 2,-0.2 -0.555 17.2-119.3 -77.3 132.9 3.6 18.4 23.4 59 59 A N E >>> -D 52 0C 30 -2,-0.3 4,-1.8 -7,-0.2 5,-0.8 -0.489 6.4-146.1 -81.8 140.5 6.4 18.6 25.9 60 60 A S T 345S+ 0 0 0 -9,-2.0 6,-0.2 1,-0.2 9,-0.1 0.507 89.7 78.0 -78.6 -5.9 7.7 15.8 28.1 61 61 A R T 345S- 0 0 17 -10,-0.2 12,-2.8 11,-0.1 -1,-0.2 0.843 120.3 -2.9 -73.7 -30.8 8.4 18.2 31.0 62 62 A W T <45S+ 0 0 162 -3,-0.7 13,-2.9 10,-0.2 -2,-0.2 0.650 132.3 43.5-130.5 -29.3 4.8 18.3 32.1 63 63 A W T <5S+ 0 0 27 -4,-1.8 13,-2.1 11,-0.3 15,-0.4 0.817 107.1 18.1 -99.4 -33.3 2.5 16.3 29.8 64 64 A c < - 0 0 0 -5,-0.8 2,-0.6 9,-0.3 11,-0.1 -0.914 68.4-114.2-137.4 165.2 3.9 12.9 28.8 65 65 A N B +e 79 0D 78 13,-2.5 15,-2.2 -2,-0.3 16,-0.4 -0.886 32.6 161.7-105.3 122.6 6.6 10.5 30.0 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.297 51.9-121.6-117.4 7.5 9.6 9.8 27.8 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.476 97.9 70.2 68.7 4.3 11.8 8.3 30.5 68 68 A R + 0 0 120 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.212 66.6 95.2-136.0 17.4 14.6 10.8 30.1 69 69 A T S > S- 0 0 16 -9,-0.1 3,-0.9 3,-0.0 -2,-0.1 -0.824 71.0-137.8-114.8 91.1 13.2 14.1 31.4 70 70 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.065 79.2 2.2 -47.5 139.2 14.3 14.4 35.0 71 71 A G T 3 S+ 0 0 94 1,-0.2 2,-0.3 0, 0.0 -10,-0.0 0.858 97.9 145.8 47.6 44.7 11.8 15.7 37.5 72 72 A S < - 0 0 31 -3,-0.9 -10,-0.2 -12,-0.0 2,-0.2 -0.752 43.1-128.0-110.4 157.6 9.1 15.9 34.9 73 73 A R - 0 0 169 -12,-2.8 -9,-0.3 -2,-0.3 3,-0.1 -0.616 3.3-153.0-101.1 163.5 5.4 15.4 35.2 74 74 A N > + 0 0 52 -2,-0.2 3,-2.1 -11,-0.2 -11,-0.3 -0.531 29.4 160.8-131.3 58.7 3.1 13.2 33.1 75 75 A L T 3 S+ 0 0 62 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.755 75.3 51.4 -56.2 -29.6 -0.1 15.1 33.5 76 76 A d T 3 S- 0 0 22 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.464 105.1-133.2 -87.7 -0.3 -1.7 13.5 30.4 77 77 A N < + 0 0 129 -3,-2.1 -13,-0.1 1,-0.2 -2,-0.1 0.908 64.3 113.3 48.6 54.8 -0.8 10.0 31.8 78 78 A I S S- 0 0 33 -15,-0.4 -13,-2.5 16,-0.0 2,-0.2 -0.985 73.2-105.7-149.8 154.0 0.7 8.7 28.6 79 79 A P B > -e 65 0D 67 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.616 36.1-122.8 -78.2 144.4 4.0 7.7 27.1 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-1.9 1,-0.3 -14,-0.1 0.807 108.6 70.6 -60.0 -26.1 5.2 10.4 24.7 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.788 85.4 67.8 -60.7 -25.6 5.4 7.8 22.0 82 82 A A G X S+ 0 0 31 -3,-1.8 3,-0.8 1,-0.3 9,-0.3 0.740 91.3 62.9 -65.5 -21.2 1.6 7.7 22.0 83 83 A L G < S+ 0 0 1 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.429 95.6 59.6 -83.2 -0.1 1.7 11.3 20.6 84 84 A L G < S+ 0 0 44 -3,-1.8 -1,-0.2 -30,-0.2 -2,-0.2 0.429 79.7 119.8-106.1 -1.5 3.5 10.1 17.5 85 85 A S S < S- 0 0 54 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.152 73.7-124.1 -63.8 155.8 0.7 7.7 16.3 86 86 A S S S+ 0 0 76 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.726 103.0 77.7 -70.2 -20.5 -1.1 8.0 13.0 87 87 A D S > S- 0 0 88 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.827 72.7-161.6 -90.5 113.1 -4.2 8.1 15.3 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.387 60.6 106.0 -80.4 6.4 -4.3 11.6 16.7 89 89 A T H 3> S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 80.3 46.7 -51.1 -51.8 -6.6 10.7 19.7 90 90 A A H <> S+ 0 0 24 -3,-0.5 4,-2.3 -8,-0.3 5,-0.2 0.918 113.4 48.6 -58.9 -45.9 -3.9 10.9 22.3 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.911 113.5 47.5 -61.5 -42.8 -2.5 14.2 21.0 92 92 A V H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.938 111.5 49.5 -64.1 -47.9 -6.0 15.7 20.9 93 93 A N H X S+ 0 0 92 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.888 114.6 44.8 -59.0 -41.1 -6.9 14.6 24.4 94 94 A d H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.888 109.6 55.4 -71.4 -38.4 -3.7 15.9 25.9 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.868 103.5 56.4 -61.1 -36.5 -4.1 19.2 23.9 96 96 A K H X S+ 0 0 44 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.884 108.7 46.2 -63.4 -37.8 -7.5 19.6 25.5 97 97 A K H >< S+ 0 0 96 -4,-1.2 3,-0.6 -3,-0.2 4,-0.2 0.919 113.5 49.4 -70.2 -42.4 -6.0 19.4 29.0 98 98 A I H >< S+ 0 0 7 -4,-2.4 3,-2.2 1,-0.2 5,-0.3 0.951 108.6 50.4 -60.6 -52.3 -3.2 21.8 28.0 99 99 A V H 3< S+ 0 0 0 -4,-2.9 3,-0.3 1,-0.3 5,-0.3 0.651 108.8 54.1 -64.2 -13.4 -5.4 24.5 26.5 100 100 A S T << S+ 0 0 58 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.429 83.1 94.9 -97.6 -0.3 -7.6 24.3 29.7 101 101 A D S < S- 0 0 106 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.1 0.706 106.3 -91.8 -64.5 -26.7 -4.5 25.0 31.9 102 102 A G S S+ 0 0 54 -3,-0.3 -3,-0.1 -4,-0.3 -1,-0.1 0.034 114.9 65.0 139.7 -33.4 -4.9 28.7 32.2 103 103 A N S > S- 0 0 114 -5,-0.3 3,-1.7 1,-0.3 4,-0.1 0.285 84.4-150.7-103.0 9.9 -3.0 30.4 29.3 104 104 A G G > - 0 0 2 -5,-0.3 3,-1.2 1,-0.3 -1,-0.3 -0.241 66.1 -17.0 58.2-142.6 -5.1 28.9 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.494 115.5 90.7 -75.6 -1.4 -3.3 28.3 23.3 106 106 A N G < + 0 0 38 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.656 68.9 80.2 -67.4 -12.0 -0.5 30.7 24.3 107 107 A A G < S+ 0 0 55 -3,-1.2 2,-0.8 1,-0.1 -1,-0.3 0.738 81.7 72.4 -64.5 -23.0 1.0 27.4 25.6 108 108 A W S <> S- 0 0 10 -3,-2.0 4,-2.2 1,-0.2 3,-0.5 -0.857 71.6-160.2 -98.8 109.4 2.1 26.8 22.0 109 109 A V H > S+ 0 0 81 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.873 91.6 52.9 -54.6 -42.1 4.9 29.1 21.0 110 110 A A H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 5,-0.4 0.844 108.2 50.7 -65.7 -34.0 4.2 28.6 17.3 111 111 A W H >>S+ 0 0 12 -3,-0.5 5,-3.2 -6,-0.2 4,-2.3 0.954 111.7 46.5 -68.4 -48.6 0.6 29.5 17.7 112 112 A R H <5S+ 0 0 111 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.909 121.2 37.4 -59.2 -44.1 1.3 32.7 19.7 113 113 A N H <5S+ 0 0 120 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.675 133.3 19.1 -85.6 -18.0 4.0 33.9 17.2 114 114 A R H <5S+ 0 0 143 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.543 131.2 29.4-130.5 -8.7 2.6 32.7 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 5,-0.2 0.724 87.3 96.6-118.2 -45.8 -1.2 32.2 14.3 116 116 A K T 3 + 0 0 92 1,-0.2 3,-1.5 -2,-0.2 4,-0.2 -0.553 53.8 166.1 -84.2 75.7 -6.5 35.0 9.5 120 120 A V G > + 0 0 15 -2,-1.9 3,-1.7 1,-0.3 4,-0.2 0.692 63.6 77.0 -65.2 -19.5 -6.5 31.5 10.9 121 121 A Q G >> S+ 0 0 97 1,-0.3 3,-1.8 -3,-0.2 4,-0.6 0.808 80.3 72.3 -61.0 -27.5 -9.8 30.7 9.1 122 122 A A G X4 S+ 0 0 40 -3,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.775 84.3 68.3 -58.2 -26.8 -7.7 30.5 5.9 123 123 A W G <4 S+ 0 0 59 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.633 108.0 34.1 -71.7 -13.0 -6.3 27.2 7.2 124 124 A I G X4 S+ 0 0 27 -3,-1.8 3,-1.5 -4,-0.2 -1,-0.2 0.328 89.1 123.7-120.4 4.0 -9.7 25.4 6.8 125 125 A R T << S+ 0 0 134 -3,-0.6 3,-0.1 -4,-0.6 -119,-0.1 -0.398 75.7 20.6 -67.7 140.5 -10.9 27.2 3.7 126 126 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.499 98.1 129.2 80.0 2.8 -11.8 25.0 0.8 127 127 A a < - 0 0 22 -3,-1.5 2,-0.7 -122,-0.0 -1,-0.3 -0.713 62.3-127.0 -95.1 142.6 -12.1 22.1 3.2 128 128 A R 0 0 237 -2,-0.3 -118,-0.0 -3,-0.1 -3,-0.0 -0.776 360.0 360.0 -87.5 115.5 -15.2 19.8 3.3 129 129 A L 0 0 100 -2,-0.7 -119,-0.1 -116,-0.0 -123,-0.0 -0.885 360.0 360.0-137.6 360.0 -16.3 19.8 6.9