==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-07 2YVB . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.D.NARESH,S.M.JAIMOHAN,V.V.KUMAR,A.B.MANDAL . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 26 20.2 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 . 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 90 0, 0.0 39,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.1 -2.5 68.8 -9.9 2 2 A V B -A 39 0A 98 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.906 360.0-150.5 -98.4 113.3 -2.4 65.4 -11.7 3 3 A F - 0 0 15 35,-2.5 2,-0.2 -2,-0.7 3,-0.0 -0.520 9.8-124.5 -76.9 159.2 1.2 64.2 -11.8 4 4 A G > - 0 0 36 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.597 32.8-106.7 -94.6 169.0 2.6 62.0 -14.4 5 5 A R H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.931 118.2 37.4 -65.6 -57.2 4.2 58.8 -13.3 6 6 A a H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.874 114.0 56.4 -66.0 -36.9 7.9 59.8 -13.8 7 7 A E H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.947 111.6 44.4 -58.6 -43.4 7.2 63.4 -12.6 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.887 109.5 54.6 -63.5 -46.6 5.9 61.9 -9.4 9 9 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.949 111.8 46.7 -51.7 -44.0 8.8 59.4 -9.0 10 10 A A H X S+ 0 0 42 -4,-2.5 4,-3.8 2,-0.2 5,-0.4 0.974 110.7 50.4 -63.7 -48.6 11.2 62.3 -9.3 11 11 A A H X S+ 0 0 18 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.958 112.7 46.8 -55.6 -45.6 9.3 64.4 -6.9 12 12 A M H <>S+ 0 0 1 -4,-2.9 5,-1.9 1,-0.2 6,-0.2 0.907 111.3 52.0 -64.0 -39.1 9.2 61.6 -4.3 13 13 A K H ><5S+ 0 0 82 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.867 108.3 49.7 -69.1 -43.6 12.9 60.8 -4.7 14 14 A R H 3<5S+ 0 0 199 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.858 107.8 55.9 -68.2 -31.3 14.0 64.4 -4.2 15 15 A H T 3<5S- 0 0 29 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.315 122.7-107.4 -81.0 6.6 11.8 64.4 -1.1 16 16 A G T < 5S+ 0 0 37 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.688 80.2 127.2 80.8 24.0 13.8 61.4 0.2 17 17 A L > < + 0 0 0 -5,-1.9 3,-2.2 2,-0.1 2,-0.4 0.662 37.1 108.3 -84.9 -20.6 11.1 58.6 -0.2 18 18 A D T 3 S- 0 0 56 1,-0.3 6,-0.2 -6,-0.2 3,-0.1 -0.503 104.7 -9.2 -68.0 118.8 13.4 56.2 -2.1 19 19 A N T > S+ 0 0 97 4,-1.5 3,-1.9 -2,-0.4 -1,-0.3 0.634 89.9 166.0 64.0 17.8 14.1 53.4 0.2 20 20 A Y B X S-B 23 0B 61 -3,-2.2 3,-2.2 3,-0.7 -1,-0.2 -0.518 80.5 -7.3 -66.9 116.2 12.6 55.3 3.2 21 21 A R T 3 S- 0 0 154 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.821 136.2 -56.6 62.1 27.4 12.2 52.7 6.0 22 22 A G T < S+ 0 0 64 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.455 103.3 133.7 87.3 1.3 13.2 50.1 3.4 23 23 A Y B < -B 20 0B 47 -3,-2.2 -4,-1.5 -6,-0.1 -3,-0.7 -0.786 51.0-136.9 -89.1 112.1 10.5 50.9 0.8 24 24 A S >> - 0 0 43 -2,-0.7 3,-1.4 -5,-0.2 4,-0.9 -0.252 27.7-104.7 -59.9 153.6 11.8 51.2 -2.7 25 25 A L H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.796 116.8 66.7 -45.9 -43.5 10.5 54.1 -4.8 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 96.6 57.1 -45.8 -39.3 8.3 51.8 -6.9 27 27 A N H <> S+ 0 0 21 -3,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.949 107.2 45.5 -59.5 -52.0 6.2 51.1 -3.7 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.5 2,-0.2 5,-0.2 0.950 115.8 47.2 -60.4 -46.0 5.4 54.9 -3.1 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.918 112.7 48.3 -63.2 -44.3 4.5 55.4 -6.8 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.907 112.6 49.6 -59.6 -47.4 2.3 52.3 -6.9 31 31 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.935 112.0 47.2 -65.2 -43.8 0.6 53.4 -3.7 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 6,-1.2 0.875 109.0 58.1 -62.7 -44.5 -0.1 56.9 -5.1 33 33 A K H X5S+ 0 0 63 -4,-2.5 4,-1.6 4,-0.2 -2,-0.2 0.957 116.4 29.9 -45.4 -58.4 -1.3 55.3 -8.3 34 34 A F H <5S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.708 120.5 52.9 -85.2 -28.8 -4.1 53.3 -6.6 35 35 A E H <5S- 0 0 34 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.905 135.8 -5.5 -74.7 -39.9 -4.8 55.7 -3.7 36 36 A S H ><5S- 0 0 10 -4,-2.3 3,-1.1 19,-0.3 -3,-0.2 0.429 84.7-115.0-134.9 -2.2 -5.4 58.8 -5.8 37 37 A N T 3< - 0 0 50 4,-2.8 3,-2.0 -2,-0.4 -1,-0.0 -0.621 26.8-112.2 -92.7 161.6 -15.2 56.9 5.1 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.798 115.7 63.3 -63.8 -31.1 -18.1 55.4 6.8 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.416 120.4-106.1 -73.4 7.6 -16.7 56.5 10.2 49 49 A G S < S+ 0 0 22 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.266 83.4 123.5 87.7 -10.9 -16.9 60.2 9.2 50 50 A S - 0 0 0 19,-0.1 -4,-2.8 -5,-0.1 2,-0.3 -0.301 51.6-141.9 -78.5 160.9 -13.2 60.6 8.6 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.3 -3,-0.1 2,-0.4 -0.989 2.3-137.2-127.5 147.3 -11.9 61.7 5.3 52 52 A D E -CD 44 59C 31 -8,-3.2 -8,-1.9 -2,-0.3 2,-0.4 -0.847 27.6-159.7-101.7 137.4 -8.8 60.7 3.2 53 53 A Y E > -CD 43 58C 23 5,-1.8 5,-2.1 -2,-0.4 3,-0.4 -0.948 28.3 -17.1-133.5 135.8 -6.8 63.4 1.5 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.1 -2,-0.4 30,-0.2 -0.163 97.7 -30.7 82.2-173.0 -4.4 64.0 -1.2 55 55 A I T 3 5S+ 0 0 1 28,-0.6 -19,-0.3 1,-0.2 -17,-0.3 0.811 141.7 34.7 -53.2 -35.5 -2.0 62.0 -3.3 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.2 27,-0.2 -2,-0.2 0.356 107.6-122.7-108.0 14.0 -1.4 59.4 -0.5 57 57 A Q T < 5 - 0 0 11 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.893 34.5-162.2 46.8 58.8 -5.0 59.6 0.9 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-1.8 -6,-0.2 2,-0.3 -0.450 15.2-120.0 -77.4 129.5 -4.0 60.5 4.4 59 59 A N E >>> -D 52 0C 27 -2,-0.2 4,-2.6 -7,-0.2 3,-0.8 -0.503 8.6-151.7 -83.8 133.8 -6.7 60.0 7.0 60 60 A S T 345S+ 0 0 0 -9,-2.3 6,-0.2 -2,-0.3 -1,-0.1 0.628 90.1 77.0 -75.3 -18.0 -8.2 62.8 9.2 61 61 A R T 345S- 0 0 52 -10,-0.2 12,-2.1 11,-0.1 -1,-0.2 0.907 120.5 -1.8 -61.0 -36.5 -9.0 60.3 11.9 62 62 A W T <45S+ 0 0 135 -3,-0.8 13,-2.8 10,-0.2 -2,-0.2 0.708 132.2 41.9-121.0 -33.8 -5.3 60.3 13.0 63 63 A W T <5S+ 0 0 27 -4,-2.6 13,-1.9 11,-0.3 15,-0.4 0.697 106.4 21.8-106.4 -26.2 -3.0 62.4 10.9 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.3 -1,-0.2 -0.970 67.6-114.7-141.4 161.4 -4.5 65.8 10.0 65 65 A N B +e 79 0D 76 13,-2.6 15,-2.3 -2,-0.3 16,-0.3 -0.859 31.6 162.5-103.3 120.8 -7.1 68.2 11.2 66 66 A D - 0 0 39 -2,-0.5 -1,-0.1 -6,-0.2 -6,-0.0 0.324 51.1-121.6-112.4 4.2 -10.2 68.9 9.0 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.499 99.7 70.3 70.8 3.8 -12.4 70.4 11.7 68 68 A R + 0 0 120 1,-0.1 -1,-0.1 -19,-0.0 -8,-0.0 -0.079 68.6 91.4-140.3 26.5 -15.2 67.8 11.2 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.1 3,-0.0 -2,-0.1 -0.764 72.1-140.3-122.7 84.8 -13.7 64.5 12.5 70 70 A P T 3 S+ 0 0 111 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.010 79.1 4.2 -46.4 135.6 -14.7 64.3 16.2 71 71 A G T 3 S+ 0 0 84 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.887 95.1 146.3 58.9 34.0 -12.1 63.0 18.6 72 72 A S < - 0 0 33 -3,-1.1 2,-0.2 1,-0.0 -10,-0.2 -0.584 42.7-130.1 -99.4 161.1 -9.5 62.8 15.9 73 73 A R - 0 0 146 -12,-2.1 -9,-0.3 -2,-0.2 3,-0.1 -0.577 1.0-147.5-102.1 167.3 -5.7 63.3 16.4 74 74 A N > + 0 0 50 -2,-0.2 3,-1.4 -11,-0.2 -11,-0.3 -0.501 30.1 163.6-135.8 66.7 -3.6 65.6 14.2 75 75 A L T 3 S+ 0 0 59 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.791 75.9 48.2 -62.8 -24.8 -0.4 63.6 14.4 76 76 A d T 3 S- 0 0 10 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.510 104.5-131.0 -91.8 -4.1 1.1 65.3 11.5 77 77 A N < + 0 0 135 -3,-1.4 -13,-0.1 1,-0.2 -2,-0.1 0.905 64.5 115.1 54.8 51.7 0.2 68.8 12.8 78 78 A I S S- 0 0 29 -15,-0.4 -13,-2.6 12,-0.0 2,-0.2 -0.994 73.9-106.7-141.7 150.3 -1.4 70.0 9.6 79 79 A P B > -e 65 0D 72 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.601 36.8-124.1 -68.0 146.5 -4.6 71.1 8.3 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-2.5 1,-0.3 4,-0.2 0.872 108.9 68.8 -58.1 -39.5 -5.8 68.2 6.0 81 81 A S G > S+ 0 0 84 -16,-0.3 3,-2.0 1,-0.3 4,-0.3 0.781 86.5 67.1 -49.9 -28.9 -6.2 70.9 3.2 82 82 A A G X S+ 0 0 32 -3,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.811 90.8 63.4 -62.9 -27.9 -2.4 71.1 3.2 83 83 A L G < S+ 0 0 2 -3,-2.5 -28,-0.6 -4,-0.4 -1,-0.3 0.456 95.1 61.6 -67.5 -10.3 -2.4 67.5 1.8 84 84 A L G < S+ 0 0 43 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.483 79.3 120.1-105.2 -3.2 -4.1 68.7 -1.3 85 85 A S S < S- 0 0 50 -3,-0.9 6,-0.1 -4,-0.3 -3,-0.0 -0.063 73.0-123.0 -58.6 157.4 -1.5 71.1 -2.6 86 86 A S S S+ 0 0 74 1,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.851 103.2 73.2 -72.4 -18.9 0.4 71.0 -5.8 87 87 A D S > S- 0 0 90 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.775 73.3-159.5 -94.4 120.3 3.6 70.8 -3.7 88 88 A I T 3> + 0 0 7 -2,-0.6 4,-2.7 1,-0.2 3,-0.2 0.420 61.0 108.8 -82.6 -1.1 3.7 67.3 -2.1 89 89 A T H 3> S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 80.7 44.3 -40.8 -49.9 6.1 68.3 0.6 90 90 A A H <> S+ 0 0 25 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.899 112.5 51.8 -69.5 -40.3 3.4 68.0 3.3 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.4 -9,-0.3 -1,-0.2 0.917 112.8 45.7 -61.5 -41.4 2.1 64.7 2.0 92 92 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.954 111.9 50.1 -66.1 -50.7 5.6 63.2 2.0 93 93 A N H X S+ 0 0 75 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.885 114.7 44.6 -55.0 -45.7 6.5 64.5 5.5 94 94 A d H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 3,-0.3 0.947 110.5 54.2 -65.4 -42.9 3.3 63.1 6.9 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.882 103.1 57.9 -57.2 -38.8 3.7 59.7 5.0 96 96 A K H X S+ 0 0 46 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.930 108.0 46.8 -62.0 -40.6 7.2 59.3 6.6 97 97 A K H < S+ 0 0 106 -4,-1.2 3,-0.4 -3,-0.3 4,-0.4 0.929 112.8 49.8 -65.0 -39.6 5.5 59.5 10.0 98 98 A I H >< S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.2 5,-0.3 0.930 109.1 49.0 -65.3 -50.7 2.8 57.0 9.0 99 99 A V H 3< S+ 0 0 6 -4,-3.1 3,-0.4 1,-0.3 5,-0.4 0.655 109.3 54.6 -67.0 -18.8 5.2 54.4 7.6 100 100 A S T 3< S+ 0 0 41 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.521 82.9 93.6 -87.7 -9.6 7.3 54.7 10.8 101 101 A D S < S- 0 0 100 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.1 0.490 107.4 -95.7 -64.6 -11.5 4.2 54.0 12.8 102 102 A G S S+ 0 0 65 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.034 112.8 70.4 119.7 -30.2 4.8 50.2 13.0 103 103 A N S > S- 0 0 113 -5,-0.3 3,-1.5 1,-0.3 -4,-0.1 0.355 83.2-152.4 -99.8 6.5 2.7 48.6 10.3 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.5 1,-0.3 -1,-0.3 -0.170 64.8 -19.8 59.1-143.0 4.9 50.0 7.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 7,-0.3 0.595 116.1 90.8 -76.7 -5.9 3.2 50.6 4.2 106 106 A N G < + 0 0 46 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.650 69.3 80.2 -62.2 -17.5 0.3 48.2 5.2 107 107 A A G < S+ 0 0 54 -3,-1.5 2,-0.7 1,-0.1 -1,-0.3 0.719 82.6 72.5 -56.4 -24.9 -1.4 51.5 6.6 108 108 A W S <> S- 0 0 9 -3,-2.3 4,-2.5 1,-0.2 5,-0.2 -0.816 73.4-162.2 -99.3 106.1 -2.3 52.1 2.9 109 109 A V H > S+ 0 0 78 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.875 90.5 50.8 -56.8 -43.5 -5.1 49.6 1.9 110 110 A A H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.904 109.4 53.0 -70.0 -32.8 -4.6 50.0 -1.8 111 111 A W H >>S+ 0 0 11 1,-0.2 5,-2.9 2,-0.2 4,-2.4 0.965 112.5 44.7 -60.8 -54.0 -0.7 49.3 -1.3 112 112 A R H <5S+ 0 0 97 -4,-2.5 -2,-0.2 -7,-0.3 -1,-0.2 0.927 120.8 38.7 -54.1 -47.3 -1.5 46.1 0.6 113 113 A N H <5S+ 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.727 133.7 16.3 -84.6 -17.2 -4.1 44.9 -1.8 114 114 A R H <5S+ 0 0 140 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.408 129.7 32.8-137.1 -12.4 -2.5 45.9 -5.1 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-1.9 -5,-0.4 -3,-0.2 0.663 84.5 99.8-112.0 -49.8 1.1 46.7 -4.7 116 116 A K T 3 + 0 0 112 1,-0.2 3,-1.3 -2,-0.2 4,-0.2 -0.551 52.3 170.9 -86.0 84.6 6.9 44.0 -9.4 120 120 A V G > + 0 0 15 -2,-1.9 3,-1.8 1,-0.3 4,-0.3 0.650 64.4 77.4 -71.3 -19.5 6.7 47.6 -8.1 121 121 A Q G >> S+ 0 0 107 1,-0.3 3,-1.8 2,-0.2 4,-1.2 0.790 79.9 72.7 -60.8 -26.1 10.0 48.5 -10.0 122 122 A A G <4 S+ 0 0 36 -3,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.801 84.9 66.7 -58.2 -26.1 7.7 48.6 -13.1 123 123 A W G <4 S+ 0 0 54 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.711 110.4 33.3 -71.6 -21.2 6.3 51.9 -11.7 124 124 A I T X4 S+ 0 0 34 -3,-1.8 3,-2.6 -4,-0.3 -1,-0.2 0.518 86.3 127.6-109.8 -2.4 9.6 53.7 -12.2 125 125 A R T 3< S+ 0 0 135 -4,-1.2 3,-0.1 1,-0.3 -119,-0.0 -0.182 77.3 17.9 -62.1 143.5 10.8 51.9 -15.3 126 126 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -120,-0.0 2,-0.2 0.249 95.8 128.8 78.5 -7.7 11.8 54.3 -18.0 127 127 A a < - 0 0 24 -3,-2.6 2,-1.2 1,-0.1 -1,-0.3 -0.523 60.2-133.2 -78.6 145.4 12.0 57.2 -15.7 128 128 A R 0 0 235 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.763 360.0 360.0 -95.6 99.9 15.1 59.5 -15.5 129 129 A L 0 0 94 -2,-1.2 -1,-0.2 -5,-0.1 -116,-0.0 0.992 360.0 360.0 -96.6 360.0 15.7 59.6 -11.8