==== 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 1VAU . 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) . 6634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 32 24.8 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 88 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 133.5 1.7 9.9 8.9 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.906 360.0-148.4-103.2 110.4 1.7 13.2 7.0 3 3 A F - 0 0 14 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.394 12.2-119.3 -76.4 153.4 -1.9 14.6 7.0 4 4 A G > - 0 0 34 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.572 33.5-108.8 -84.2 157.8 -3.3 16.6 4.2 5 5 A R H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.958 118.8 35.4 -52.0 -59.8 -4.5 20.1 5.3 6 6 A a H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.802 113.9 59.5 -67.2 -29.4 -8.2 19.4 4.9 7 7 A E H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 108.9 43.8 -64.7 -43.5 -7.8 15.8 6.1 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.896 109.8 56.0 -68.3 -39.8 -6.3 17.0 9.4 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.918 109.9 46.8 -57.9 -42.3 -9.0 19.7 9.7 10 10 A A H X S+ 0 0 43 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.899 112.2 49.2 -66.5 -41.9 -11.6 16.9 9.4 11 11 A A H X S+ 0 0 16 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.904 112.2 48.2 -65.2 -41.3 -9.9 14.7 11.9 12 12 A M H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 6,-0.3 0.895 111.8 49.7 -66.4 -39.5 -9.5 17.5 14.5 13 13 A K H ><5S+ 0 0 80 -4,-2.1 3,-1.9 -5,-0.3 -2,-0.2 0.914 108.0 52.3 -66.0 -42.8 -13.2 18.4 14.1 14 14 A R H 3<5S+ 0 0 184 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.9 54.0 -62.7 -28.5 -14.4 14.9 14.5 15 15 A H T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.313 122.8-106.2 -88.8 8.0 -12.3 14.8 17.7 16 16 A G T < 5S+ 0 0 36 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.719 81.4 125.4 78.9 24.1 -14.1 17.9 19.1 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.4 2,-0.1 2,-0.5 0.728 37.3 107.8 -86.1 -22.7 -11.4 20.6 18.6 18 18 A D T 3 S- 0 0 62 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.423 105.5 -9.6 -61.4 111.9 -13.4 23.0 16.6 19 19 A N T > S+ 0 0 105 4,-2.0 3,-2.3 -2,-0.5 -1,-0.3 0.604 90.7 162.3 73.3 15.5 -14.1 25.9 19.0 20 20 A Y B X S-B 23 0B 72 -3,-2.4 3,-1.8 3,-0.7 -1,-0.3 -0.518 79.5 -2.3 -67.6 127.6 -12.8 23.9 22.0 21 21 A R T 3 S- 0 0 159 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.754 137.0 -60.2 59.1 23.9 -12.1 26.5 24.7 22 22 A G T < S+ 0 0 55 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.511 103.5 132.3 85.2 5.7 -13.2 29.0 22.1 23 23 A Y B < -B 20 0B 47 -3,-1.8 -4,-2.0 -6,-0.2 -3,-0.7 -0.817 51.7-135.5 -98.0 110.9 -10.6 28.3 19.5 24 24 A S >> - 0 0 34 -2,-0.7 3,-1.6 -5,-0.2 4,-0.9 -0.145 28.3-102.7 -58.1 156.5 -12.0 27.8 16.0 25 25 A L H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.832 118.2 63.7 -49.9 -41.7 -10.7 24.9 13.9 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.817 97.4 57.3 -55.7 -33.5 -8.5 27.2 11.8 27 27 A N H <> S+ 0 0 19 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.904 108.3 46.1 -64.3 -41.7 -6.4 28.0 14.9 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.5 -2,-0.2 0.871 113.6 47.8 -69.3 -38.6 -5.7 24.3 15.5 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.905 112.0 50.0 -69.0 -41.2 -4.8 23.6 11.9 30 30 A b H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.926 111.0 49.5 -63.0 -44.3 -2.5 26.7 11.7 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.929 111.4 48.7 -60.8 -45.7 -0.8 25.6 14.9 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 6,-1.2 0.873 106.8 57.8 -62.7 -37.6 -0.2 22.1 13.6 33 33 A K H X5S+ 0 0 66 -4,-2.2 4,-1.4 4,-0.2 -1,-0.2 0.952 115.2 33.8 -58.2 -51.3 1.1 23.5 10.3 34 34 A F H <5S+ 0 0 61 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.716 119.7 50.7 -81.2 -20.1 3.9 25.4 12.0 35 35 A E H <5S- 0 0 37 -4,-2.0 -2,-0.2 20,-0.2 -3,-0.2 0.912 139.0 -8.3 -81.2 -42.7 4.6 22.9 14.8 36 36 A S H ><5S- 0 0 12 -4,-2.6 3,-1.4 19,-0.5 -3,-0.2 0.425 81.4-117.6-135.9 -2.4 4.9 19.8 12.6 37 37 A N T 3< - 0 0 43 4,-3.1 3,-1.6 -2,-0.4 -1,-0.0 -0.505 24.3-110.3 -89.8 162.0 14.4 21.4 23.4 47 47 A T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.841 115.9 57.2 -59.4 -35.5 17.4 23.3 25.1 48 48 A D T 3 S- 0 0 82 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.464 123.2-100.5 -78.0 -0.6 16.4 22.0 28.6 49 49 A G S < S+ 0 0 24 -3,-1.6 -2,-0.1 1,-0.4 -1,-0.1 0.240 85.9 120.6 102.5 -15.0 16.6 18.4 27.5 50 50 A S - 0 0 0 -5,-0.1 -4,-3.1 19,-0.1 -1,-0.4 -0.277 52.9-136.8 -76.4 169.7 12.8 17.9 27.0 51 51 A T E -C 45 0C 4 -6,-0.2 9,-2.0 -3,-0.1 2,-0.4 -0.972 1.0-137.3-133.3 146.6 11.4 16.8 23.7 52 52 A D E -CD 44 59C 27 -8,-2.9 -8,-1.5 -2,-0.3 2,-0.4 -0.862 25.9-164.0-102.3 136.9 8.3 17.9 21.6 53 53 A Y E > -CD 43 58C 26 5,-2.4 5,-2.1 -2,-0.4 3,-0.3 -0.955 32.3 -7.6-130.0 142.3 6.2 15.2 20.0 54 54 A G T > 5S- 0 0 0 -12,-2.0 3,-1.5 -2,-0.4 30,-0.2 -0.124 98.3 -36.1 82.6-173.0 3.6 14.9 17.3 55 55 A I T 3 5S+ 0 0 1 28,-0.4 -19,-0.5 1,-0.3 -17,-0.3 0.761 141.9 35.7 -65.5 -22.5 1.5 17.2 15.1 56 56 A L T 3 5S- 0 0 1 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.229 106.5-125.4-112.6 13.2 1.1 19.7 18.0 57 57 A Q T < 5 - 0 0 11 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.884 32.8-164.6 44.2 56.6 4.6 19.2 19.4 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.4 -6,-0.1 2,-0.2 -0.515 16.5-121.3 -73.6 133.6 3.5 18.4 22.9 59 59 A N E >>> -D 52 0C 36 -7,-0.2 4,-1.8 -2,-0.2 3,-0.7 -0.530 6.7-144.8 -84.9 143.1 6.4 18.6 25.4 60 60 A S T 345S+ 0 0 0 -9,-2.0 13,-0.3 1,-0.2 6,-0.2 0.570 89.4 82.0 -78.0 -10.8 7.7 15.9 27.7 61 61 A R T 345S- 0 0 59 -10,-0.2 12,-1.7 11,-0.2 -1,-0.2 0.854 119.9 -5.8 -63.2 -34.4 8.5 18.4 30.5 62 62 A W T <45S+ 0 0 129 -3,-0.7 13,-3.0 10,-0.2 -2,-0.2 0.669 131.8 46.2-129.8 -34.0 4.9 18.3 31.6 63 63 A W T <5S+ 0 0 29 -4,-1.8 13,-1.8 11,-0.3 15,-0.3 0.747 104.6 20.2 -96.1 -26.6 2.6 16.3 29.4 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.4 11,-0.1 -0.945 67.6-114.2-141.8 163.1 4.0 12.9 28.5 65 65 A N B +e 79 0D 79 13,-2.5 15,-2.5 -2,-0.3 16,-0.4 -0.868 35.2 156.4-103.5 126.8 6.5 10.4 29.6 66 66 A D - 0 0 36 -2,-0.5 -1,-0.1 13,-0.2 8,-0.0 0.306 53.4-123.4-123.8 4.6 9.6 9.6 27.5 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.473 95.9 76.5 67.9 3.5 11.8 8.4 30.3 68 68 A R + 0 0 115 1,-0.1 -1,-0.1 2,-0.0 -8,-0.0 0.021 64.1 90.7-134.1 30.1 14.6 10.9 29.5 69 69 A T S > S- 0 0 7 -9,-0.1 3,-1.8 -19,-0.0 -2,-0.1 -0.740 70.9-140.7-128.4 83.5 13.3 14.2 30.9 70 70 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.084 80.8 6.5 -46.3 131.1 14.6 14.6 34.5 71 71 A G T 3 S+ 0 0 82 1,-0.2 2,-0.0 0, 0.0 -10,-0.0 0.582 99.7 135.8 71.5 11.8 12.1 16.2 36.9 72 72 A S < - 0 0 29 -3,-1.8 2,-0.2 1,-0.1 -10,-0.2 -0.201 44.8-134.3 -84.5 177.5 9.3 16.2 34.4 73 73 A R - 0 0 142 -12,-1.7 -9,-0.4 -13,-0.3 3,-0.1 -0.738 6.7-144.5-124.8 173.3 5.7 15.3 34.7 74 74 A N > + 0 0 50 -2,-0.2 3,-1.7 -11,-0.2 -11,-0.3 -0.534 30.7 161.3-139.4 64.2 3.2 13.2 32.6 75 75 A L T 3 S+ 0 0 49 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.734 76.0 52.7 -61.7 -26.1 -0.0 15.1 33.1 76 76 A d T 3 S- 0 0 24 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.485 104.8-133.3 -88.4 -1.9 -1.7 13.5 30.1 77 77 A N < + 0 0 136 -3,-1.7 -13,-0.1 1,-0.2 -2,-0.1 0.916 63.7 113.3 50.1 55.5 -0.7 10.1 31.5 78 78 A I S S- 0 0 33 -15,-0.3 -13,-2.5 16,-0.0 2,-0.2 -0.991 73.6-103.3-150.7 153.6 0.7 8.7 28.2 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.587 35.8-124.4 -75.5 142.7 4.0 7.6 26.7 80 80 A c G > S+ 0 0 2 -15,-2.5 3,-1.8 1,-0.3 4,-0.1 0.813 108.1 70.0 -58.7 -28.4 5.2 10.4 24.4 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.772 85.5 68.1 -59.7 -25.2 5.4 7.8 21.6 82 82 A A G X S+ 0 0 31 -3,-1.9 3,-0.9 1,-0.3 9,-0.3 0.756 90.3 63.8 -65.8 -22.8 1.6 7.8 21.6 83 83 A L G < S+ 0 0 1 -3,-1.8 -28,-0.4 -4,-0.4 -1,-0.3 0.465 96.2 58.0 -80.1 -1.6 1.8 11.3 20.2 84 84 A L G < S+ 0 0 42 -3,-1.8 -1,-0.2 -30,-0.2 -2,-0.2 0.445 81.2 120.5-105.6 -2.6 3.5 10.1 17.1 85 85 A S S < S- 0 0 54 -3,-0.9 6,-0.1 -4,-0.3 -3,-0.0 -0.129 73.2-124.9 -61.2 155.4 0.7 7.7 16.1 86 86 A S S S+ 0 0 74 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.734 102.5 76.2 -71.4 -21.5 -1.2 7.9 12.8 87 87 A D S > S- 0 0 86 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.832 74.0-159.3 -91.5 114.5 -4.2 8.1 15.0 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.381 61.2 107.3 -79.5 6.1 -4.3 11.6 16.5 89 89 A T H 3> S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 80.1 46.8 -49.8 -52.0 -6.6 10.7 19.5 90 90 A A H <> S+ 0 0 23 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.907 113.5 48.4 -60.0 -42.8 -3.8 10.9 22.1 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.900 113.5 47.5 -64.5 -41.1 -2.5 14.3 20.7 92 92 A V H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.944 112.0 48.2 -66.0 -48.6 -6.0 15.7 20.6 93 93 A N H X S+ 0 0 90 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.890 115.3 45.3 -60.0 -40.2 -6.9 14.6 24.1 94 94 A d H X S+ 0 0 3 -4,-2.2 4,-2.4 -5,-0.3 3,-0.3 0.897 109.4 55.4 -70.9 -39.0 -3.7 15.9 25.5 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.864 102.8 57.0 -60.5 -36.5 -4.0 19.2 23.6 96 96 A K H X S+ 0 0 44 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.882 108.9 45.9 -62.8 -37.0 -7.5 19.7 25.2 97 97 A K H >< S+ 0 0 100 -4,-1.1 3,-0.6 -3,-0.3 -2,-0.2 0.915 113.1 50.0 -71.7 -41.7 -5.8 19.5 28.6 98 98 A I H >< S+ 0 0 7 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.937 108.7 49.9 -61.9 -49.0 -3.0 21.8 27.6 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.4 1,-0.3 3,-0.3 0.644 109.1 54.7 -67.0 -12.6 -5.3 24.5 26.2 100 100 A S T << S+ 0 0 36 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.401 80.8 96.0 -98.0 0.6 -7.3 24.4 29.4 101 101 A D S < S- 0 0 105 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.609 107.3 -90.8 -68.3 -14.7 -4.2 25.0 31.6 102 102 A G S S+ 0 0 63 -3,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 0.024 114.8 66.9 131.7 -32.7 -4.8 28.8 31.8 103 103 A N S > S- 0 0 114 -5,-0.3 3,-1.8 1,-0.3 4,-0.1 0.236 83.8-147.3-105.6 14.2 -3.0 30.5 29.0 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.3 1,-0.3 -1,-0.3 -0.214 68.4 -17.4 56.5-143.6 -5.1 29.0 26.2 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 7,-0.3 0.512 116.2 90.2 -74.6 -1.7 -3.3 28.4 22.9 106 106 A N G < + 0 0 51 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.654 68.1 81.8 -66.1 -11.7 -0.5 30.7 24.0 107 107 A A G < S+ 0 0 52 -3,-1.3 2,-0.9 1,-0.2 -1,-0.3 0.816 83.6 65.4 -60.2 -29.8 0.9 27.4 25.4 108 108 A W S X> S- 0 0 11 -3,-2.0 4,-1.9 1,-0.2 3,-0.8 -0.840 75.2-163.0 -96.4 102.4 2.1 26.8 21.8 109 109 A V H 3> S+ 0 0 79 -2,-0.9 4,-2.6 1,-0.3 5,-0.2 0.868 89.4 56.8 -53.6 -39.0 4.7 29.6 21.2 110 110 A A H 3> S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.843 104.8 52.1 -63.2 -34.2 4.4 29.0 17.4 111 111 A W H <>>S+ 0 0 11 -3,-0.8 5,-3.3 -6,-0.2 4,-2.3 0.946 111.1 46.7 -67.2 -45.6 0.6 29.7 17.6 112 112 A R H <5S+ 0 0 109 -4,-1.9 -2,-0.2 -7,-0.3 -1,-0.2 0.919 119.5 39.9 -61.4 -43.5 1.2 33.0 19.4 113 113 A N H <5S+ 0 0 102 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.733 133.0 17.5 -80.7 -22.4 3.9 34.1 17.0 114 114 A R H <5S+ 0 0 141 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.601 131.9 28.1-127.1 -14.3 2.4 32.9 13.7 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.5 -5,-0.4 5,-0.2 0.742 85.4 102.9-115.1 -43.9 -1.3 32.2 14.0 116 116 A K T 3 + 0 0 121 1,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.493 55.5 166.8 -83.3 70.5 -6.9 35.1 9.3 120 120 A V G > + 0 0 14 -2,-2.1 3,-1.9 1,-0.3 4,-0.3 0.681 61.9 80.0 -59.7 -19.8 -6.8 31.5 10.6 121 121 A Q G > S+ 0 0 111 1,-0.3 3,-1.7 -3,-0.2 4,-0.5 0.798 78.9 71.5 -58.6 -28.0 -10.0 30.7 8.8 122 122 A A G X S+ 0 0 39 -3,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.775 84.4 68.3 -60.0 -26.4 -7.9 30.4 5.6 123 123 A W G < S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.662 108.6 34.1 -70.4 -15.2 -6.5 27.2 6.9 124 124 A I G X S+ 0 0 23 -3,-1.7 3,-1.6 -4,-0.3 -1,-0.2 0.303 86.7 128.4-119.3 6.6 -9.8 25.4 6.6 125 125 A R T < S+ 0 0 152 -3,-0.7 3,-0.1 -4,-0.5 -119,-0.1 -0.395 76.8 16.5 -66.5 137.2 -11.1 27.2 3.5 126 126 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.293 96.2 127.0 85.0 -11.0 -12.2 24.8 0.7 127 127 A a < - 0 0 19 -3,-1.6 2,-0.8 1,-0.0 -1,-0.3 -0.623 61.3-132.3 -82.8 134.7 -12.4 21.9 3.1 128 128 A R 0 0 233 -2,-0.3 -118,-0.0 1,-0.2 -1,-0.0 -0.784 360.0 360.0 -86.9 114.5 -15.6 19.9 3.3 129 129 A L 0 0 109 -2,-0.8 -1,-0.2 -5,-0.0 -2,-0.0 0.435 360.0 360.0-123.3 360.0 -16.3 19.7 7.1