==== 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 24-MAR-04 1VDS . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE,L.J.DELUCAS, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6639.0 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 . 27 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 26.4 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 0 2 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 75 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 135.3 10.5 2.3 28.8 2 2 A V B -A 39 0A 98 37,-0.3 37,-0.2 38,-0.1 2,-0.2 -0.955 360.0-145.5 -98.9 110.0 13.9 2.4 30.6 3 3 A F - 0 0 18 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.482 7.0-124.4 -72.2 147.5 15.2 -1.1 30.7 4 4 A G > - 0 0 35 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.608 32.0-109.8 -78.2 160.2 17.2 -2.7 33.4 5 5 A R H > S+ 0 0 90 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.964 117.4 37.7 -56.0 -58.4 20.5 -4.2 32.3 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 114.3 56.2 -67.5 -33.3 19.5 -7.9 32.9 7 7 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 110.5 44.8 -60.4 -43.4 16.0 -7.2 31.6 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.934 110.0 54.3 -69.3 -44.2 17.3 -5.9 28.3 9 9 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.934 109.7 49.1 -53.8 -41.6 19.9 -8.8 28.0 10 10 A A H X S+ 0 0 45 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.915 111.6 46.9 -69.6 -39.3 17.0 -11.2 28.4 11 11 A A H X S+ 0 0 20 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.907 112.9 49.2 -70.0 -36.1 14.8 -9.6 25.8 12 12 A M H <>S+ 0 0 1 -4,-2.6 5,-2.5 2,-0.2 6,-0.3 0.917 110.3 52.1 -69.0 -37.6 17.6 -9.3 23.2 13 13 A K H ><5S+ 0 0 83 -4,-2.3 3,-2.0 -5,-0.3 5,-0.2 0.956 108.7 50.0 -63.4 -46.5 18.5 -12.9 23.7 14 14 A R H 3<5S+ 0 0 198 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.3 53.8 -61.8 -36.0 14.9 -13.9 23.1 15 15 A H T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.243 123.4-102.9 -82.0 11.5 14.9 -11.9 19.9 16 16 A G T < 5S+ 0 0 35 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.554 82.2 125.6 86.3 8.8 18.0 -13.7 18.6 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.0 2,-0.1 2,-0.4 0.749 36.2 105.5 -76.0 -19.7 20.7 -11.1 19.2 18 18 A D T 3 S- 0 0 58 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.460 108.0 -10.2 -66.8 120.1 23.2 -13.3 21.2 19 19 A N T > S+ 0 0 95 4,-1.6 3,-2.4 -2,-0.4 -1,-0.3 0.567 89.7 164.7 64.0 20.4 26.0 -14.1 18.8 20 20 A Y B X S-B 23 0B 78 -3,-2.0 3,-2.0 3,-0.7 -1,-0.2 -0.469 81.0 -4.7 -68.4 126.7 24.0 -12.7 15.8 21 21 A R T 3 S- 0 0 137 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.776 136.1 -58.7 52.1 32.5 26.7 -12.2 13.1 22 22 A G T < S+ 0 0 66 -3,-2.4 2,-0.7 1,-0.2 -1,-0.3 0.513 105.5 128.0 82.1 9.1 29.2 -13.3 15.6 23 23 A Y B < -B 20 0B 43 -3,-2.0 -4,-1.6 -6,-0.1 -3,-0.7 -0.831 53.3-137.6-103.7 112.6 28.5 -10.5 18.2 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.7 -5,-0.2 4,-0.9 -0.288 26.9-101.3 -66.6 159.9 27.9 -11.8 21.6 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.787 117.7 64.0 -52.6 -38.6 25.1 -10.5 23.8 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.855 99.3 56.7 -57.6 -33.6 27.4 -8.3 26.0 27 27 A N H <> S+ 0 0 20 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.935 108.3 45.7 -62.1 -42.1 28.2 -6.2 22.8 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.897 114.3 47.2 -70.5 -39.2 24.5 -5.5 22.2 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.915 112.5 49.9 -70.3 -41.5 23.8 -4.5 25.8 30 30 A b H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.929 111.1 49.8 -59.7 -44.8 27.0 -2.3 25.9 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.937 111.7 47.4 -63.2 -44.7 25.9 -0.6 22.7 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 6,-1.4 0.860 109.5 56.3 -63.4 -35.4 22.4 0.1 24.0 33 33 A K H X5S+ 0 0 54 -4,-2.2 4,-1.7 4,-0.2 -2,-0.2 0.970 116.3 33.1 -59.2 -52.6 23.9 1.4 27.3 34 34 A F H <5S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.733 119.3 51.8 -86.7 -18.5 26.0 4.0 25.7 35 35 A E H <5S- 0 0 41 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.892 136.8 -5.5 -80.6 -39.4 23.6 4.8 22.8 36 36 A S H ><5S- 0 0 12 -4,-2.4 3,-1.3 19,-0.3 -3,-0.2 0.385 85.8-114.0-137.1 -2.0 20.4 5.4 24.8 37 37 A N T 3< - 0 0 47 4,-3.2 3,-2.0 -2,-0.3 -1,-0.0 -0.690 25.1-110.4 -99.9 161.3 22.2 15.1 13.9 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.833 116.3 61.0 -60.7 -30.5 23.8 18.1 12.1 48 48 A D T 3 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.398 122.0-105.5 -76.6 4.6 22.8 16.7 8.6 49 49 A G S < S+ 0 0 21 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.330 84.7 119.7 89.6 -10.4 19.1 17.0 9.8 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.1 2,-0.3 -0.383 53.0-141.7 -77.5 171.9 18.5 13.2 10.3 51 51 A T E -C 45 0C 4 -6,-0.2 9,-2.4 -3,-0.1 2,-0.4 -0.957 4.1-132.9-135.7 146.9 17.6 11.9 13.8 52 52 A D E -CD 44 59C 30 -8,-2.8 -8,-1.8 -2,-0.3 2,-0.4 -0.865 28.3-156.4 -99.0 140.0 18.6 8.8 15.7 53 53 A Y E > -CD 43 58C 22 5,-2.1 5,-2.2 -2,-0.4 3,-0.4 -0.956 30.7 -20.0-131.6 131.5 15.8 6.8 17.4 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.8 -2,-0.4 30,-0.2 -0.114 98.0 -27.5 85.6-170.8 15.3 4.4 20.2 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.748 142.6 32.1 -55.8 -33.2 17.4 2.0 22.3 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.232 106.5-124.8-112.8 15.2 20.0 1.5 19.5 57 57 A Q T < 5 - 0 0 21 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.891 32.3-164.0 49.5 55.2 19.6 5.0 18.0 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.1 -6,-0.1 2,-0.3 -0.518 17.2-119.7 -76.2 134.1 18.9 4.0 14.5 59 59 A N E >>> -D 52 0C 30 -2,-0.2 4,-2.1 -7,-0.2 3,-0.6 -0.588 6.3-145.4 -85.0 138.8 19.3 6.8 12.0 60 60 A S T 345S+ 0 0 0 -9,-2.4 6,-0.2 -2,-0.3 9,-0.1 0.546 89.6 73.9 -80.8 -12.4 16.6 8.2 9.7 61 61 A R T 345S+ 0 0 75 -10,-0.2 12,-2.8 11,-0.1 -1,-0.2 0.924 121.1 5.1 -65.8 -37.2 18.8 9.0 6.7 62 62 A W T <45S+ 0 0 100 -3,-0.6 13,-2.8 10,-0.2 -2,-0.2 0.764 131.4 39.0-113.4 -31.3 19.0 5.2 5.9 63 63 A W T <5S+ 0 0 24 -4,-2.1 13,-2.0 11,-0.3 15,-0.3 0.740 106.2 18.2-109.5 -25.7 16.9 3.1 8.0 64 64 A c < - 0 0 0 -5,-0.5 2,-0.6 9,-0.3 -1,-0.1 -0.957 67.2-112.7-143.9 162.6 13.5 4.4 8.9 65 65 A N B +e 79 0D 77 13,-3.0 15,-2.5 -2,-0.3 16,-0.4 -0.863 33.7 160.1-102.2 125.3 11.0 7.1 7.8 66 66 A D - 0 0 34 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.291 52.8-120.2-118.5 4.1 10.3 10.1 9.9 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.494 97.9 69.8 75.6 6.3 8.9 12.4 7.3 68 68 A R + 0 0 124 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.226 65.7 90.2-140.6 18.8 11.5 15.1 7.7 69 69 A T S > S- 0 0 12 -9,-0.1 3,-1.4 3,-0.1 -2,-0.1 -0.853 74.7-140.1-113.4 90.2 14.9 13.8 6.5 70 70 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.267 79.4 8.3 -57.0 133.2 14.8 14.9 2.8 71 71 A G T 3 S+ 0 0 71 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.721 94.2 144.7 71.5 26.8 16.2 12.3 0.3 72 72 A S < - 0 0 33 -3,-1.4 -10,-0.2 1,-0.1 2,-0.2 -0.536 44.4-128.6 -94.8 153.0 16.5 9.5 2.9 73 73 A R - 0 0 139 -12,-2.8 -9,-0.3 -2,-0.2 2,-0.2 -0.612 4.1-148.1 -92.9 165.4 16.0 5.7 2.4 74 74 A N > + 0 0 51 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.552 28.8 164.6-128.7 66.1 13.8 3.6 4.6 75 75 A L T 3 S+ 0 0 53 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.745 74.0 49.9 -65.0 -22.9 15.7 0.3 4.5 76 76 A d T 3 S- 0 0 18 -13,-2.0 -1,-0.3 2,-0.2 -12,-0.1 0.481 105.2-129.1 -89.1 -1.9 14.0 -1.3 7.5 77 77 A N < + 0 0 129 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.919 66.5 113.3 54.4 55.5 10.5 -0.3 6.1 78 78 A I S S- 0 0 30 -15,-0.3 -13,-3.0 16,-0.0 2,-0.3 -0.992 72.7-106.7-149.7 148.0 9.3 1.3 9.2 79 79 A P B > -e 65 0D 68 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.622 37.0-122.6 -68.9 141.8 8.3 4.7 10.6 80 80 A c G > S+ 0 0 1 -15,-2.5 3,-1.7 -2,-0.3 4,-0.2 0.851 109.2 67.9 -60.6 -28.5 11.0 5.9 13.0 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-2.1 1,-0.3 -1,-0.3 0.822 86.9 68.5 -59.7 -29.4 8.3 6.2 15.8 82 82 A A G X S+ 0 0 31 -3,-1.5 3,-1.0 1,-0.3 -1,-0.3 0.821 92.0 61.2 -58.9 -30.1 8.1 2.4 15.7 83 83 A L G < S+ 0 0 3 -3,-1.7 -28,-0.5 -4,-0.5 -1,-0.3 0.489 94.5 62.9 -77.3 -2.2 11.6 2.3 17.2 84 84 A L G < S+ 0 0 42 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.411 78.4 118.2-102.5 -0.4 10.6 4.1 20.3 85 85 A S S < S- 0 0 51 -3,-1.0 6,-0.1 -4,-0.3 -3,-0.0 -0.143 74.6-122.9 -60.0 155.5 8.2 1.5 21.5 86 86 A S S S+ 0 0 75 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.791 102.1 78.1 -67.7 -25.2 8.5 -0.4 24.8 87 87 A D S > S- 0 0 93 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.766 72.4-160.7 -83.0 115.9 8.5 -3.6 22.6 88 88 A I T 3> + 0 0 8 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.461 61.1 105.6 -81.8 2.7 12.0 -3.8 21.2 89 89 A T H 3> S+ 0 0 47 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.902 80.9 46.4 -49.4 -49.1 11.1 -6.1 18.3 90 90 A A H <> S+ 0 0 29 -3,-0.6 4,-2.2 -8,-0.2 -1,-0.2 0.910 114.0 48.1 -63.6 -42.3 11.2 -3.4 15.5 91 91 A S H > S+ 0 0 5 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.924 113.8 47.6 -64.3 -40.6 14.5 -2.0 16.8 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.944 111.7 49.1 -63.5 -50.1 16.0 -5.6 17.0 93 93 A N H X S+ 0 0 93 -4,-3.0 4,-1.1 -5,-0.2 -1,-0.2 0.889 115.0 44.2 -59.5 -40.3 14.8 -6.5 13.5 94 94 A d H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 3,-0.3 0.908 109.3 56.6 -70.6 -41.5 16.2 -3.3 12.0 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.903 102.3 57.5 -55.3 -41.1 19.5 -3.7 14.0 96 96 A K H X S+ 0 0 46 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.914 107.6 46.4 -58.7 -39.1 20.0 -7.1 12.4 97 97 A K H X S+ 0 0 96 -4,-1.1 4,-0.6 -3,-0.3 3,-0.4 0.948 113.6 49.8 -68.9 -41.8 19.8 -5.6 8.9 98 98 A I H >< S+ 0 0 9 -4,-2.4 3,-1.8 1,-0.2 5,-0.3 0.958 109.5 48.3 -61.8 -50.7 22.3 -2.8 9.9 99 99 A V H 3< S+ 0 0 0 -4,-2.9 5,-0.5 1,-0.3 3,-0.5 0.731 110.1 54.7 -66.6 -18.7 24.9 -5.1 11.4 100 100 A S H 3< S+ 0 0 42 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.604 82.7 94.0 -86.6 -6.5 24.7 -7.3 8.3 101 101 A D S << S- 0 0 110 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.1 0.556 108.2 -88.9 -67.3 -15.3 25.4 -4.3 6.0 102 102 A G S S+ 0 0 54 -3,-0.5 -1,-0.1 -4,-0.2 -3,-0.1 -0.114 116.0 67.1 135.0 -37.7 29.2 -4.8 5.8 103 103 A N S > S- 0 0 117 -5,-0.3 3,-1.6 1,-0.3 4,-0.1 0.332 82.3-150.1-101.2 11.7 30.7 -2.9 8.7 104 104 A G G > - 0 0 4 -5,-0.5 3,-1.3 1,-0.2 -1,-0.3 -0.213 67.5 -19.3 57.5-144.4 29.4 -5.0 11.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.3 0.527 114.9 91.8 -77.3 -3.0 28.7 -3.2 14.8 106 106 A N G < + 0 0 44 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.690 67.8 82.0 -63.3 -14.5 31.1 -0.3 13.8 107 107 A A G < S+ 0 0 55 -3,-1.3 2,-0.7 1,-0.1 -1,-0.3 0.726 82.6 68.2 -58.1 -21.2 27.8 1.2 12.4 108 108 A W S <> S- 0 0 10 -3,-2.2 4,-2.1 1,-0.2 3,-0.3 -0.883 74.1-159.3-105.6 113.0 27.2 2.3 16.1 109 109 A V H > S+ 0 0 77 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.866 90.9 52.7 -60.6 -38.7 29.7 5.0 17.0 110 110 A A H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 5,-0.5 0.902 108.3 51.5 -70.3 -31.7 29.3 4.5 20.8 111 111 A W H >>S+ 0 0 13 -3,-0.3 5,-3.0 -6,-0.2 4,-2.1 0.949 112.0 46.9 -63.2 -46.3 30.0 0.7 20.3 112 112 A R H <5S+ 0 0 100 -4,-2.1 -2,-0.2 -7,-0.3 -1,-0.2 0.950 121.2 36.3 -62.2 -43.9 33.1 1.5 18.4 113 113 A N H <5S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.736 133.3 19.4 -88.9 -16.4 34.4 4.0 20.8 114 114 A R H <5S+ 0 0 138 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.582 129.8 30.0-131.5 -15.0 33.3 2.5 24.2 115 115 A b T ><5S+ 0 0 0 -4,-2.1 3,-2.1 -5,-0.5 5,-0.2 0.680 85.8 100.6-114.2 -43.4 32.6 -1.2 23.8 116 116 A K T 3 + 0 0 86 -2,-0.2 3,-1.6 1,-0.2 4,-0.3 -0.511 52.1 170.9 -75.8 77.0 35.4 -6.9 28.4 120 120 A V G > + 0 0 8 -2,-2.2 3,-1.5 1,-0.3 4,-0.3 0.698 64.3 79.8 -68.5 -13.3 31.7 -6.7 27.1 121 121 A Q G >> S+ 0 0 94 1,-0.3 3,-1.9 2,-0.2 4,-0.7 0.835 77.8 71.2 -60.6 -32.7 31.0 -9.9 29.1 122 122 A A G X4 S+ 0 0 47 -3,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.815 85.5 68.8 -54.2 -30.1 30.7 -7.7 32.2 123 123 A W G <4 S+ 0 0 54 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.677 108.4 33.1 -68.7 -18.4 27.4 -6.3 30.8 124 124 A I G X4 S+ 0 0 44 -3,-1.9 3,-1.8 -4,-0.3 -1,-0.2 0.397 86.8 125.5-113.8 1.6 25.6 -9.6 31.2 125 125 A R T << S+ 0 0 131 -4,-0.7 3,-0.1 -3,-0.7 -119,-0.1 -0.331 76.9 19.5 -63.3 141.2 27.3 -10.9 34.4 126 126 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -120,-0.0 -1,-0.3 0.314 93.4 126.8 85.0 -6.9 24.9 -11.8 37.2 127 127 A a < - 0 0 20 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 -0.611 63.2-131.0 -86.9 136.0 21.9 -12.0 34.8 128 128 A R 0 0 240 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.741 360.0 360.0 -78.0 96.8 19.8 -15.2 34.9 129 129 A L 0 0 93 -2,-1.1 -1,-0.2 -5,-0.1 -2,-0.0 0.652 360.0 360.0-109.7 360.0 19.8 -15.8 31.1