==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-00 1GFA . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.FUNAHASHI,K.TAKANO,Y.YAMAGATA,K.YUTANI . 130 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 26.9 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 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 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 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 69 0, 0.0 39,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 159.8 1.6 20.7 20.3 2 2 A D B -A 39 0A 110 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.935 360.0-143.1-101.4 123.1 4.4 20.2 17.7 3 3 A F - 0 0 17 35,-2.8 2,-0.3 -2,-0.6 3,-0.1 -0.563 10.7-124.8 -84.7 149.8 7.2 22.7 18.3 4 4 A E > - 0 0 149 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.724 32.6-109.1 -87.8 149.8 9.0 24.2 15.3 5 5 A R H > S+ 0 0 93 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 0.929 114.5 35.4 -43.5 -66.4 12.8 23.6 15.6 6 6 A a H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.816 113.4 59.0 -64.2 -31.3 13.9 27.2 16.4 7 7 A E H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 110.4 43.9 -59.9 -47.2 10.8 28.0 18.4 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 -3,-0.2 5,-0.3 0.924 108.1 57.2 -66.1 -43.3 11.8 25.1 20.7 9 9 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.917 111.7 43.1 -56.2 -41.4 15.4 26.1 20.8 10 10 A R H X S+ 0 0 111 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.888 111.9 53.0 -70.8 -40.3 14.5 29.5 22.1 11 11 A T H X S+ 0 0 15 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.954 111.4 46.7 -58.9 -47.5 11.9 28.2 24.6 12 12 A L H <>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 6,-0.3 0.906 111.9 50.6 -63.2 -40.7 14.5 25.8 26.0 13 13 A K H ><5S+ 0 0 89 -4,-2.0 3,-1.9 -5,-0.3 5,-0.3 0.935 109.2 50.5 -62.7 -45.6 17.1 28.6 26.3 14 14 A R H 3<5S+ 0 0 178 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 107.1 56.2 -61.2 -31.5 14.6 30.9 28.0 15 15 A L T 3<5S- 0 0 56 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.366 122.2-107.1 -83.3 5.1 13.9 28.0 30.5 16 16 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.710 79.0 129.8 79.6 26.5 17.6 27.8 31.3 17 17 A M > < + 0 0 0 -5,-2.2 3,-1.9 2,-0.1 2,-0.8 0.678 34.0 108.9 -84.9 -18.7 18.6 24.6 29.6 18 18 A D T 3 S- 0 0 77 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.468 104.0 -9.9 -68.7 106.2 21.6 25.9 27.7 19 19 A G T > S+ 0 0 40 4,-2.0 3,-2.2 -2,-0.8 -1,-0.3 0.548 87.3 167.3 83.4 11.1 24.6 24.3 29.4 20 20 A Y B X S-B 23 0B 48 -3,-1.9 3,-1.8 3,-0.7 -1,-0.3 -0.425 80.5 -9.8 -61.9 120.6 22.5 23.0 32.3 21 21 A R T 3 S- 0 0 151 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.870 134.7 -55.8 53.3 37.7 24.8 20.5 34.1 22 22 A G T < S+ 0 0 74 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.526 105.2 132.9 76.6 8.4 27.2 20.9 31.1 23 23 A I B < -B 20 0B 12 -3,-1.8 -4,-2.0 -6,-0.1 -3,-0.7 -0.830 50.4-135.7 -99.2 116.8 24.6 19.9 28.5 24 24 A S >> - 0 0 43 -2,-0.7 4,-1.5 -5,-0.2 3,-0.8 -0.184 20.2-115.8 -65.7 155.5 24.5 22.2 25.4 25 25 A L H 3> S+ 0 0 5 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.888 116.0 61.5 -58.2 -39.6 21.2 23.4 24.0 26 26 A A H 3> S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.847 102.9 50.8 -57.3 -34.8 22.0 21.5 20.8 27 27 A N H <> S+ 0 0 31 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.901 109.6 48.9 -70.1 -42.3 22.1 18.2 22.8 28 28 A W H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.896 111.5 50.8 -62.1 -42.8 18.7 18.9 24.4 29 29 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.958 110.5 48.1 -60.2 -49.3 17.3 19.7 20.9 30 30 A b H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.899 111.4 52.1 -59.3 -39.9 18.7 16.4 19.5 31 31 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.956 112.0 44.2 -61.5 -51.6 17.2 14.6 22.5 32 32 A A H X>S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 6,-1.5 0.859 111.5 55.0 -61.0 -40.3 13.7 16.0 21.9 33 33 A K H X5S+ 0 0 90 -4,-2.5 4,-1.4 4,-0.3 -1,-0.2 0.949 115.4 37.1 -58.1 -51.3 13.9 15.5 18.2 34 34 A W H <5S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.719 117.9 49.5 -78.4 -22.9 14.6 11.8 18.6 35 35 A E H <5S- 0 0 43 -4,-2.1 -2,-0.2 21,-0.2 -3,-0.2 0.890 139.3 -11.5 -81.4 -41.3 12.4 11.1 21.6 36 36 A S H ><5S- 0 0 22 -4,-2.2 3,-0.5 20,-0.4 -3,-0.2 0.395 84.2-108.4-141.7 -0.4 9.2 12.7 20.2 37 37 A G T 3<> -C 51 0C 46 5,-3.0 5,-1.0 -2,-0.4 4,-0.8 -0.906 6.1-169.1-106.2 98.9 6.4 -0.2 27.4 47 47 A A T 45S+ 0 0 77 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.759 78.8 68.0 -60.4 -24.9 4.5 -3.5 27.7 48 48 A G T 45S+ 0 0 80 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.946 118.9 12.5 -61.7 -57.3 7.6 -5.2 29.2 49 49 A D T 45S- 0 0 62 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.136 102.0-116.4-108.5 15.5 7.8 -3.3 32.5 50 50 A R T <5S+ 0 0 160 -4,-0.8 2,-0.2 1,-0.2 -3,-0.2 0.773 71.6 128.9 57.1 33.4 4.3 -1.7 32.4 51 51 A S E < -C 46 0C 0 -5,-1.0 -5,-3.0 19,-0.1 2,-0.4 -0.694 46.8-141.4-112.2 169.5 5.7 1.9 32.4 52 52 A T E -C 45 0C 8 -2,-0.2 9,-2.5 -7,-0.2 2,-0.5 -0.976 6.8-138.4-134.9 141.7 4.9 4.8 30.0 53 53 A D E -CD 44 60C 26 -9,-2.6 -9,-1.9 -2,-0.4 2,-0.4 -0.893 28.9-156.8 -99.0 133.1 7.2 7.5 28.5 54 54 A Y E > -CD 43 59C 19 5,-2.4 5,-2.1 -2,-0.5 3,-0.4 -0.919 30.0 -21.5-123.8 141.2 5.6 11.0 28.5 55 55 A G T > 5S- 0 0 0 -13,-2.1 3,-1.5 -2,-0.4 -14,-0.2 -0.085 99.1 -29.2 74.1-169.0 5.9 14.2 26.6 56 56 A I T 3 5S+ 0 0 3 28,-0.3 -20,-0.4 1,-0.3 -18,-0.3 0.783 142.1 36.4 -57.2 -30.5 8.6 16.0 24.5 57 57 A F T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.329 104.0-128.3-104.3 1.9 11.4 14.2 26.4 58 58 A Q T < 5 - 0 0 18 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.918 33.6-167.0 48.4 57.6 9.6 10.9 26.8 59 59 A I E < -D 54 0C 4 -5,-2.1 -5,-2.4 25,-0.1 2,-0.3 -0.599 18.4-117.1 -79.5 130.7 10.3 10.8 30.6 60 60 A N E >> -D 53 0C 26 -2,-0.3 4,-2.5 -7,-0.2 3,-1.1 -0.586 7.2-145.6 -80.5 132.9 9.5 7.4 32.1 61 61 A S T 34 S+ 0 0 0 -9,-2.5 6,-0.2 -2,-0.3 13,-0.2 0.583 90.5 73.2 -67.5 -18.2 6.9 6.7 34.8 62 62 A R T 34 S+ 0 0 49 11,-0.2 12,-2.7 -10,-0.1 -1,-0.2 0.877 121.9 4.9 -66.0 -31.5 8.8 4.0 36.7 63 63 A Y T <4 S+ 0 0 126 -3,-1.1 13,-2.9 10,-0.2 -2,-0.2 0.754 130.1 41.3-121.2 -35.9 11.2 6.7 38.1 64 64 A W S < S+ 0 0 40 -4,-2.5 13,-2.2 11,-0.3 15,-0.3 0.769 107.8 16.3 -97.8 -29.6 10.2 10.2 37.3 65 65 A c - 0 0 0 -5,-0.4 2,-0.5 9,-0.3 15,-0.2 -0.957 69.9-111.8-143.5 159.6 6.5 11.0 37.5 66 66 A N B +e 80 0D 84 13,-2.5 15,-2.1 -2,-0.3 16,-0.4 -0.841 36.4 156.8-101.3 123.7 3.4 9.4 39.0 67 67 A D - 0 0 36 -2,-0.5 -1,-0.1 -6,-0.2 13,-0.1 0.301 51.4-128.4-118.2 2.5 0.7 7.9 36.8 68 68 A G S S+ 0 0 65 -7,-0.1 -2,-0.1 2,-0.1 12,-0.0 0.381 92.7 76.6 66.5 -0.4 -0.6 5.6 39.5 69 69 A K + 0 0 138 2,-0.1 -1,-0.1 -19,-0.0 -3,-0.0 0.217 62.0 97.6-125.4 12.4 -0.5 2.5 37.2 70 70 A T S > S- 0 0 13 -9,-0.1 3,-1.7 4,-0.0 -19,-0.1 -0.928 79.9-116.9-104.3 114.7 3.2 1.6 37.0 71 71 A P T 3 S- 0 0 69 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.262 89.0 -8.9 -55.7 127.7 3.9 -1.3 39.5 72 72 A G T 3 S+ 0 0 81 1,-0.1 -10,-0.0 0, 0.0 0, 0.0 0.650 96.5 157.8 59.2 22.1 6.4 -0.3 42.2 73 73 A A < - 0 0 32 -3,-1.7 2,-0.2 1,-0.1 -10,-0.2 -0.169 29.8-146.8 -73.3 165.0 7.2 3.0 40.5 74 74 A V - 0 0 88 -12,-2.7 -9,-0.3 -13,-0.2 2,-0.2 -0.746 9.7-136.6-122.9 176.5 8.7 6.1 42.2 75 75 A N > + 0 0 43 -2,-0.2 3,-1.1 -11,-0.2 -11,-0.3 -0.612 28.7 165.4-139.2 71.8 8.1 9.8 41.4 76 76 A A T 3 S+ 0 0 22 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.752 80.5 48.3 -63.5 -28.1 11.5 11.6 41.6 77 77 A d T 3 S- 0 0 20 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.557 104.0-133.3 -87.1 -7.9 10.3 14.8 39.9 78 78 A H < + 0 0 155 -3,-1.1 2,-0.3 1,-0.2 -13,-0.1 0.933 62.9 121.7 51.0 58.8 7.3 14.9 42.2 79 79 A L S S- 0 0 38 -15,-0.3 -13,-2.5 16,-0.0 2,-0.2 -0.969 71.0-108.7-144.0 152.1 4.8 15.5 39.4 80 80 A S B > -e 66 0D 73 -2,-0.3 3,-1.7 -15,-0.2 4,-0.3 -0.617 35.7-123.3 -76.9 142.9 1.7 13.9 38.0 81 81 A c G > S+ 0 0 2 -15,-2.1 3,-1.7 1,-0.3 -1,-0.1 0.768 110.4 73.7 -60.2 -22.7 2.8 12.4 34.6 82 82 A S G > S+ 0 0 79 -16,-0.4 3,-2.2 1,-0.3 -1,-0.3 0.844 84.0 65.3 -57.1 -34.5 -0.0 14.6 33.2 83 83 A A G X S+ 0 0 16 -3,-1.7 3,-0.6 1,-0.3 9,-0.3 0.716 95.1 59.7 -61.8 -20.3 2.2 17.6 33.8 84 84 A L G < S+ 0 0 4 -3,-1.7 -28,-0.3 -4,-0.3 -1,-0.3 0.316 97.0 60.3 -91.1 7.0 4.5 16.2 31.2 85 85 A L G < S+ 0 0 54 -3,-2.2 -1,-0.2 -30,-0.1 -2,-0.2 0.181 79.2 117.8-117.0 14.5 1.8 16.3 28.5 86 86 A Q < - 0 0 78 -3,-0.6 6,-0.1 2,-0.2 -3,-0.0 -0.425 69.3-131.3 -82.2 155.7 1.2 20.1 28.6 87 87 A D S S+ 0 0 95 -2,-0.1 2,-0.8 1,-0.1 -1,-0.1 0.807 101.3 72.5 -70.7 -34.4 1.8 22.5 25.7 88 88 A N S S- 0 0 104 1,-0.1 3,-0.4 -48,-0.0 4,-0.3 -0.786 74.2-164.1 -80.5 115.6 3.7 24.6 28.2 89 89 A I > + 0 0 5 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.309 56.2 108.5 -88.7 12.3 6.9 22.6 28.7 90 90 A A H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 83.5 44.0 -51.8 -52.0 8.1 24.3 31.9 91 91 A D H > S+ 0 0 60 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.878 112.5 52.5 -62.0 -41.6 7.3 21.3 34.1 92 92 A A H > S+ 0 0 6 -9,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.874 110.5 48.8 -62.1 -37.7 8.8 18.9 31.6 93 93 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.908 108.5 52.6 -70.3 -39.9 12.0 21.0 31.6 94 94 A A H X S+ 0 0 53 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.901 113.1 45.8 -61.5 -39.8 12.1 21.1 35.4 95 95 A d H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.885 109.2 52.7 -71.0 -40.2 11.9 17.3 35.3 96 96 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.893 108.5 52.5 -63.7 -36.1 14.5 16.8 32.6 97 97 A K H X S+ 0 0 42 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.929 108.6 50.5 -63.0 -42.9 16.8 19.0 34.7 98 98 A R H >X S+ 0 0 66 -4,-1.7 3,-0.8 1,-0.2 4,-0.5 0.917 107.4 54.3 -60.5 -42.2 16.1 16.6 37.7 99 99 A V H >< S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.2 6,-0.4 0.928 109.4 46.5 -58.0 -47.3 16.9 13.6 35.4 100 100 A V H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.571 94.1 74.6 -75.6 -9.3 20.3 15.0 34.5 101 101 A R H << S+ 0 0 106 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.704 84.2 87.2 -72.8 -17.0 21.2 15.9 38.1 102 102 A D S X< S- 0 0 67 -3,-1.2 3,-1.4 -4,-0.5 6,-0.1 -0.403 102.4 -97.0 -75.3 161.5 21.7 12.1 38.5 103 103 A P T 3 S+ 0 0 137 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.794 118.5 57.8 -49.9 -40.4 25.1 10.6 37.7 104 104 A Q T > S- 0 0 108 1,-0.2 3,-1.5 -5,-0.1 -4,-0.1 0.792 82.5-177.1 -62.4 -30.4 24.3 9.5 34.1 105 105 A G G X - 0 0 15 -3,-1.4 3,-1.8 -6,-0.4 -1,-0.2 -0.416 67.8 -6.3 68.1-137.9 23.4 13.0 33.1 106 106 A I G > S+ 0 0 12 1,-0.3 3,-1.6 2,-0.1 -1,-0.3 0.759 124.9 76.4 -63.3 -22.6 22.2 13.2 29.4 107 107 A R G < + 0 0 111 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.586 68.4 90.1 -65.3 -10.4 23.1 9.5 29.0 108 108 A A G < S+ 0 0 30 -3,-1.8 2,-0.7 1,-0.1 -1,-0.3 0.861 79.2 66.8 -54.4 -35.6 20.0 8.6 30.9 109 109 A W S X> S- 0 0 18 -3,-1.6 4,-1.4 -4,-0.2 3,-0.9 -0.803 71.2-157.6 -94.1 117.1 18.2 8.6 27.6 110 110 A V H 3> S+ 0 0 77 -2,-0.7 4,-2.4 1,-0.3 5,-0.2 0.868 92.6 63.7 -58.9 -36.2 19.3 5.7 25.3 111 111 A A H 3> S+ 0 0 18 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.867 99.7 53.3 -57.0 -36.8 18.0 7.7 22.3 112 112 A W H <>>S+ 0 0 16 -3,-0.9 4,-2.6 -6,-0.2 5,-2.4 0.948 109.2 48.3 -64.0 -46.2 20.6 10.4 23.0 113 113 A R H <5S+ 0 0 98 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.891 117.7 43.0 -59.7 -39.3 23.3 7.8 23.0 114 114 A N H <5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.920 130.7 18.2 -73.5 -46.9 22.0 6.4 19.7 115 115 A R H <5S+ 0 0 119 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.505 133.9 27.2-108.1 -7.0 21.3 9.6 17.8 116 116 A b T ><5S+ 0 0 2 -4,-2.6 3,-0.8 -5,-0.4 -3,-0.2 0.675 87.3 96.1-125.7 -35.6 23.2 12.3 19.5 117 117 A Q T 3 + 0 0 16 -2,-0.6 3,-2.0 1,-0.1 4,-0.3 0.364 49.1 99.4-112.0 1.4 24.5 18.0 16.8 122 122 A R G >> + 0 0 170 1,-0.3 3,-1.7 2,-0.2 4,-0.8 0.838 69.3 71.8 -59.1 -29.7 25.2 21.7 15.9 123 123 A Q G 34 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.697 85.1 68.6 -58.5 -23.4 22.7 21.4 13.1 124 124 A Y G <4 S+ 0 0 24 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.775 110.5 29.0 -72.9 -23.6 19.9 21.4 15.6 125 125 A V T X4 S+ 0 0 25 -3,-1.7 3,-1.8 -4,-0.3 5,-0.4 0.396 85.6 129.0-114.7 -1.1 20.4 25.0 16.7 126 126 A Q T 3< S+ 0 0 113 -4,-0.8 -120,-0.1 1,-0.3 -3,-0.0 -0.365 81.7 7.1 -60.1 129.2 21.8 26.6 13.6 127 127 A G T 3 S+ 0 0 81 3,-0.1 -1,-0.3 -2,-0.1 -121,-0.0 0.470 98.1 106.8 79.5 2.9 19.9 29.7 12.6 128 128 A a S < S- 0 0 4 -3,-1.8 -2,-0.1 2,-0.1 -1,-0.1 0.572 84.3-122.4 -89.5 -11.9 17.8 29.9 15.7 129 129 A G 0 0 74 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.887 360.0 360.0 73.4 39.8 19.6 32.8 17.3 130 130 A V 0 0 59 -5,-0.4 -1,-0.2 -117,-0.0 -3,-0.1 -0.607 360.0 360.0-123.9 360.0 20.5 31.0 20.5