==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROASE 02-MAY-98 2MEG . 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) . 7037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 67.7 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 . 27 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.4 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 2 0 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 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 82 0, 0.0 39,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 138.2 1.7 20.4 21.8 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.936 360.0-145.0-105.2 107.6 4.3 19.5 19.2 3 3 A F - 0 0 9 35,-2.6 2,-0.3 -2,-0.7 3,-0.0 -0.428 8.5-125.6 -71.9 150.0 7.2 22.1 19.4 4 4 A E > - 0 0 151 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.663 35.0-106.7 -89.5 151.6 9.1 23.2 16.4 5 5 A R H > S+ 0 0 94 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.915 114.2 36.8 -45.3 -64.0 12.8 22.8 16.8 6 6 A a H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.832 112.8 59.5 -64.9 -31.4 14.0 26.4 17.3 7 7 A E H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.961 109.6 43.7 -59.8 -49.9 10.9 27.3 19.3 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.912 109.8 56.3 -62.5 -41.9 11.8 24.6 21.8 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.935 110.0 45.0 -57.1 -47.3 15.5 25.6 21.9 10 10 A R H X S+ 0 0 114 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.878 112.5 52.0 -65.7 -35.7 14.7 29.1 22.9 11 11 A T H X S+ 0 0 23 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.926 109.8 48.2 -66.4 -45.3 12.2 27.9 25.5 12 12 A L H <>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 6,-0.3 0.892 109.9 52.9 -63.6 -36.8 14.7 25.6 27.1 13 13 A K H ><5S+ 0 0 97 -4,-2.1 3,-1.7 -5,-0.3 5,-0.2 0.928 108.4 49.7 -65.3 -41.4 17.3 28.4 27.2 14 14 A R H 3<5S+ 0 0 184 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.833 106.6 56.6 -66.5 -29.1 14.9 30.7 28.9 15 15 A L T 3<5S- 0 0 56 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.323 120.9-109.1 -85.1 7.4 14.2 27.9 31.5 16 16 A G T < 5S+ 0 0 38 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.764 76.8 132.1 72.6 34.2 17.9 27.7 32.3 17 17 A M > < + 0 0 0 -5,-2.1 3,-2.0 2,-0.1 2,-0.6 0.709 35.3 107.3 -88.1 -21.2 18.8 24.4 30.8 18 18 A D T 3 S- 0 0 82 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.449 102.9 -7.8 -66.9 108.8 21.9 25.5 28.9 19 19 A G T > S+ 0 0 43 4,-2.0 3,-2.2 -2,-0.6 -1,-0.3 0.525 87.4 165.3 84.5 7.7 24.8 24.1 30.8 20 20 A Y B X S-B 23 0B 53 -3,-2.0 3,-1.8 3,-0.7 -1,-0.3 -0.423 79.6 -12.5 -60.7 119.5 22.6 22.8 33.7 21 21 A R T 3 S- 0 0 150 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.857 134.0 -53.7 52.7 38.8 24.8 20.4 35.6 22 22 A G T < S+ 0 0 76 -3,-2.2 2,-0.6 1,-0.2 -1,-0.3 0.527 105.5 131.4 77.8 9.8 27.3 20.5 32.7 23 23 A I B < -B 20 0B 12 -3,-1.8 -4,-2.0 -6,-0.1 -3,-0.7 -0.844 50.5-135.9-102.6 119.3 24.7 19.6 30.0 24 24 A S >> - 0 0 45 -2,-0.6 4,-1.4 -5,-0.2 3,-1.1 -0.283 21.3-114.6 -69.6 154.1 24.7 21.7 26.9 25 25 A L H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.874 115.7 58.8 -54.3 -41.9 21.4 22.9 25.3 26 26 A A H 3> S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.805 102.7 53.9 -61.7 -28.5 22.1 20.8 22.2 27 27 A N H <> S+ 0 0 32 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.892 108.1 48.7 -72.9 -37.4 22.2 17.7 24.3 28 28 A W H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.860 111.5 50.5 -68.5 -35.8 18.8 18.4 25.8 29 29 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.922 109.6 49.5 -66.8 -45.0 17.4 19.0 22.3 30 30 A b H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.929 112.1 50.2 -59.7 -43.1 18.8 15.7 21.1 31 31 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.912 111.3 45.8 -61.7 -49.9 17.2 14.0 24.1 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 6,-1.4 0.879 110.7 56.4 -63.2 -36.5 13.8 15.5 23.6 33 33 A K H X5S+ 0 0 65 -4,-2.4 4,-0.8 4,-0.2 -2,-0.2 0.943 114.5 35.7 -59.5 -50.0 14.0 14.7 19.9 34 34 A W H <5S+ 0 0 94 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.712 118.5 50.3 -80.9 -23.1 14.5 11.0 20.4 35 35 A E H <5S- 0 0 44 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.932 137.8 -9.9 -80.0 -47.4 12.3 10.6 23.4 36 36 A S H <5S- 0 0 21 -4,-2.2 3,-0.4 20,-0.4 -3,-0.2 0.465 83.7-112.6-131.7 -6.2 9.2 12.2 22.2 37 37 A G S < -A 2 0A 42 -3,-0.4 3,-1.0 -7,-0.3 -37,-0.2 -0.863 38.8-163.0-101.2 117.2 5.6 16.1 21.7 40 40 A T T 3 S+ 0 0 1 -39,-2.8 16,-0.3 -2,-0.6 -1,-0.1 0.738 88.7 51.5 -70.4 -25.6 4.5 17.2 25.2 41 41 A R T 3 S+ 0 0 184 -40,-0.3 -1,-0.2 14,-0.1 44,-0.1 0.385 78.1 134.5 -94.6 7.4 1.6 14.7 25.4 42 42 A A < + 0 0 17 -3,-1.0 13,-2.1 12,-0.1 2,-0.3 -0.280 28.0 174.6 -59.7 132.2 3.7 11.7 24.4 43 43 A T E -C 54 0C 72 11,-0.2 2,-0.4 15,-0.1 11,-0.2 -0.991 11.8-172.4-139.6 145.3 3.0 8.6 26.6 44 44 A N E -C 53 0C 100 9,-1.7 9,-2.6 -2,-0.3 2,-0.3 -0.938 14.4-144.2-145.9 120.7 4.4 5.1 26.4 45 45 A Y E -C 52 0C 125 -2,-0.4 2,-0.8 7,-0.2 7,-0.2 -0.666 4.8-151.7 -85.1 135.1 3.3 2.1 28.5 46 46 A N E >>> -C 51 0C 50 5,-2.9 4,-1.4 -2,-0.3 3,-1.4 -0.847 11.1-174.7-107.6 91.0 5.9 -0.5 29.5 47 47 A A T 345S+ 0 0 73 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.822 77.1 68.9 -54.8 -32.7 3.9 -3.7 29.8 48 48 A G T 345S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.783 121.0 10.2 -59.8 -31.8 7.0 -5.5 31.1 49 49 A D T <45S- 0 0 69 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.306 98.8-114.1-133.6 9.0 7.1 -3.6 34.4 50 50 A R T <5S+ 0 0 165 -4,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.625 73.7 125.9 65.8 21.1 3.8 -1.7 34.6 51 51 A S E < -C 46 0C 0 -5,-0.8 -5,-2.9 19,-0.1 2,-0.3 -0.667 46.1-147.9-105.1 162.5 5.4 1.7 34.4 52 52 A T E -C 45 0C 10 -2,-0.2 9,-2.2 -7,-0.2 2,-0.5 -0.976 8.8-135.4-132.5 142.2 4.6 4.5 31.9 53 53 A D E -CD 44 60C 29 -9,-2.6 -9,-1.7 -2,-0.3 2,-0.4 -0.863 27.2-159.3 -96.9 130.8 6.9 7.2 30.4 54 54 A Y E > -CD 43 59C 25 5,-2.7 5,-1.9 -2,-0.5 3,-0.3 -0.928 32.0 -18.7-121.5 135.4 5.3 10.7 30.4 55 55 A G T > 5S- 0 0 0 -13,-2.1 3,-1.8 -2,-0.4 -14,-0.1 -0.052 96.8 -29.7 82.8-174.6 6.0 13.9 28.4 56 56 A I T 3 5S+ 0 0 1 28,-0.4 -20,-0.4 1,-0.3 -18,-0.3 0.776 140.5 34.1 -55.6 -31.4 8.6 15.6 26.3 57 57 A F T 3 5S- 0 0 3 -3,-0.3 -1,-0.3 27,-0.1 -2,-0.2 0.281 106.4-125.2-106.8 7.0 11.5 13.9 28.2 58 58 A Q T < 5 - 0 0 15 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.911 33.8-166.9 48.5 56.8 9.6 10.6 28.8 59 59 A S E < -D 54 0C 4 -5,-1.9 -5,-2.7 -6,-0.1 2,-0.3 -0.558 19.7-117.8 -75.7 133.7 10.1 10.5 32.6 60 60 A N E >>> -D 53 0C 26 -2,-0.3 4,-2.5 -7,-0.2 3,-0.9 -0.541 4.5-139.9 -80.6 137.6 9.2 7.2 34.1 61 61 A S T 345S+ 0 0 0 -9,-2.2 6,-0.3 -2,-0.3 7,-0.2 0.569 96.3 68.7 -70.0 -12.3 6.4 6.7 36.7 62 62 A R T 345S+ 0 0 41 11,-0.2 12,-2.9 -10,-0.1 -1,-0.2 0.854 122.2 6.6 -75.6 -30.3 8.4 4.2 38.8 63 63 A Y T <45S+ 0 0 126 -3,-0.9 13,-2.5 10,-0.2 -2,-0.2 0.737 130.8 36.9-121.4 -34.1 10.9 6.9 39.9 64 64 A W T <5S+ 0 0 37 -4,-2.5 13,-2.1 11,-0.2 15,-0.4 0.849 109.7 17.8 -99.4 -39.7 10.0 10.4 38.9 65 65 A c S S- 0 0 13 -9,-0.2 3,-1.0 -18,-0.0 -2,-0.1 -0.815 73.6-126.7 -96.5 119.9 2.8 1.8 39.1 71 71 A P T 3 S+ 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.282 85.2 3.7 -63.3 145.0 3.9 -0.8 41.7 72 72 A G T 3 S+ 0 0 76 1,-0.2 2,-0.2 -9,-0.0 -10,-0.0 0.771 93.5 161.2 50.9 35.9 6.8 0.2 44.1 73 73 A A < - 0 0 34 -3,-1.0 2,-0.2 -5,-0.0 -10,-0.2 -0.542 28.4-160.8 -92.3 148.6 7.0 3.7 42.7 74 74 A V - 0 0 89 -12,-2.9 -9,-0.2 -2,-0.2 2,-0.1 -0.659 14.7-140.1-111.4 173.7 8.6 6.7 44.2 75 75 A N > + 0 0 49 -2,-0.2 3,-1.4 1,-0.1 -11,-0.2 -0.574 28.5 166.5-137.9 68.9 7.9 10.3 43.2 76 76 A A T 3 S+ 0 0 21 -13,-2.5 -12,-0.2 1,-0.3 -11,-0.1 0.820 79.0 49.3 -57.7 -34.9 11.2 12.1 43.2 77 77 A d T 3 S- 0 0 19 -13,-2.1 -1,-0.3 2,-0.1 -12,-0.1 0.609 103.9-132.9 -81.9 -6.3 10.0 15.1 41.3 78 78 A H < + 0 0 156 -3,-1.4 2,-0.3 -14,-0.3 -13,-0.1 0.944 63.9 121.0 53.1 54.1 7.0 15.3 43.7 79 79 A L - 0 0 38 -15,-0.4 -13,-2.7 16,-0.0 -1,-0.2 -0.987 69.7-111.9-143.4 152.0 4.5 15.7 40.8 80 80 A S B > -e 66 0D 69 -2,-0.3 3,-1.4 -15,-0.2 4,-0.4 -0.583 34.6-121.9 -76.7 146.0 1.5 14.0 39.4 81 81 A c G > S+ 0 0 3 -15,-2.4 3,-1.3 1,-0.3 -14,-0.1 0.765 110.3 72.6 -63.0 -19.7 2.4 12.5 36.1 82 82 A S G > S+ 0 0 84 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.846 86.1 64.1 -61.6 -33.1 -0.4 14.6 34.7 83 83 A A G X S+ 0 0 19 -3,-1.4 3,-0.8 1,-0.3 9,-0.3 0.743 94.4 60.7 -64.0 -23.1 1.8 17.7 35.2 84 84 A L G < S+ 0 0 5 -3,-1.3 -28,-0.4 -4,-0.4 -1,-0.3 0.375 96.6 60.9 -86.0 4.3 4.2 16.2 32.6 85 85 A L G < S+ 0 0 58 -3,-1.9 -1,-0.2 -30,-0.1 -2,-0.2 0.200 78.6 114.3-113.7 12.9 1.5 16.3 29.9 86 86 A Q S < S- 0 0 81 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.414 72.5-126.1 -79.8 161.4 0.8 20.1 29.8 87 87 A D S S+ 0 0 100 -2,-0.1 2,-0.7 -46,-0.0 -1,-0.1 0.781 100.3 74.9 -75.6 -28.7 1.6 22.4 26.9 88 88 A N S S- 0 0 109 1,-0.1 3,-0.5 -48,-0.0 4,-0.3 -0.791 72.3-162.4 -85.3 118.9 3.6 24.5 29.3 89 89 A I > + 0 0 6 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.343 57.2 109.0 -89.7 10.9 6.8 22.6 29.9 90 90 A A H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 84.5 43.1 -51.6 -47.2 8.0 24.3 33.1 91 91 A D H > S+ 0 0 59 -3,-0.5 4,-2.2 -8,-0.2 -1,-0.2 0.901 112.0 52.2 -67.8 -42.5 7.2 21.3 35.3 92 92 A A H > S+ 0 0 7 -9,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.887 112.6 48.2 -59.5 -38.1 8.7 18.7 32.9 93 93 A V H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.909 108.2 52.3 -69.3 -43.7 11.8 20.9 32.9 94 94 A A H X S+ 0 0 52 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.883 112.8 47.0 -59.6 -37.0 12.0 21.1 36.7 95 95 A d H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 108.9 52.5 -72.5 -40.7 11.7 17.3 36.8 96 96 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.874 107.5 53.5 -62.2 -37.6 14.4 16.8 34.1 97 97 A K H < S+ 0 0 45 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.901 107.8 51.4 -63.7 -38.3 16.7 19.0 36.2 98 98 A R H >< S+ 0 0 67 -4,-1.4 3,-1.1 1,-0.2 4,-0.3 0.902 105.0 56.4 -64.9 -41.1 16.0 16.8 39.2 99 99 A V H >< S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.2 6,-0.4 0.921 106.8 48.4 -56.5 -46.4 16.9 13.6 37.2 100 100 A V T 3< S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.504 91.7 77.1 -76.8 -4.6 20.4 14.9 36.3 101 101 A R T < S+ 0 0 121 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.605 83.2 85.4 -76.3 -14.4 21.2 15.9 39.9 102 102 A D S X S- 0 0 66 -3,-1.4 3,-1.6 -4,-0.3 6,-0.1 -0.556 102.1 -97.2 -81.8 158.0 21.8 12.2 40.4 103 103 A P T 3 S+ 0 0 136 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.742 118.1 58.8 -46.2 -37.9 25.2 10.6 39.6 104 104 A Q T > S- 0 0 112 1,-0.2 3,-1.6 -5,-0.1 -4,-0.1 0.797 81.2-179.4 -65.7 -30.8 24.3 9.3 36.2 105 105 A G G X - 0 0 16 -3,-1.6 3,-2.0 -6,-0.4 -1,-0.2 -0.393 68.1 -4.6 68.0-137.7 23.4 12.7 34.9 106 106 A I G > S+ 0 0 14 1,-0.3 3,-1.5 2,-0.1 -1,-0.3 0.730 124.9 75.8 -62.4 -20.5 22.3 12.8 31.3 107 107 A R G < + 0 0 116 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.629 68.2 89.4 -68.4 -12.4 23.1 9.1 31.1 108 108 A A G < S+ 0 0 36 -3,-2.0 2,-0.7 -6,-0.1 -1,-0.3 0.776 79.4 69.0 -55.5 -28.1 19.9 8.3 33.1 109 109 A W S X> S- 0 0 20 -3,-1.5 4,-1.1 1,-0.2 3,-0.8 -0.858 73.3-156.1 -96.8 117.0 18.1 8.2 29.7 110 110 A V H >> S+ 0 0 80 -2,-0.7 4,-1.7 1,-0.2 3,-0.6 0.896 91.9 60.7 -57.4 -41.7 19.1 5.1 27.7 111 111 A A H 3> S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.839 96.7 60.2 -56.8 -34.0 18.2 6.9 24.4 112 112 A W H <>>S+ 0 0 17 -3,-0.8 4,-2.5 1,-0.2 5,-2.3 0.924 106.0 48.0 -60.0 -43.3 20.7 9.6 25.0 113 113 A R H <<5S+ 0 0 100 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.899 116.6 42.1 -62.6 -42.9 23.5 7.0 25.0 114 114 A N H <5S+ 0 0 96 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.886 130.7 21.5 -72.7 -41.0 22.3 5.4 21.8 115 115 A R H <5S+ 0 0 108 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.602 131.8 23.7-106.8 -16.2 21.5 8.5 19.8 116 116 A b T ><5S+ 0 0 1 -4,-2.5 3,-1.7 -5,-0.4 -3,-0.2 0.729 83.9 102.9-121.1 -40.1 23.3 11.5 21.2 117 117 A Q T 3 + 0 0 19 -2,-1.0 3,-1.8 1,-0.2 4,-0.4 0.402 46.2 103.4 -96.1 3.1 24.7 17.4 18.2 122 122 A R G >> + 0 0 159 1,-0.3 3,-1.8 2,-0.2 4,-1.3 0.846 67.8 71.8 -52.1 -38.8 25.2 21.0 16.9 123 123 A Q G 34 S+ 0 0 121 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.768 86.1 65.7 -49.2 -32.2 22.5 20.4 14.2 124 124 A Y G <4 S+ 0 0 20 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.765 115.5 24.6 -67.1 -26.2 19.8 20.5 16.9 125 125 A V T X4 S+ 0 0 24 -3,-1.8 3,-1.9 -4,-0.4 5,-0.4 0.409 87.0 129.3-116.8 -3.4 20.3 24.2 17.8 126 126 A Q T 3< S+ 0 0 110 -4,-1.3 -120,-0.1 1,-0.3 -3,-0.0 -0.331 81.3 7.2 -59.4 130.8 21.9 25.6 14.6 127 127 A G T 3 S+ 0 0 83 3,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.381 96.5 110.6 80.0 0.8 20.1 28.7 13.4 128 128 A a S < S- 0 0 3 -3,-1.9 -2,-0.1 2,-0.1 -118,-0.1 0.538 83.3-120.0 -85.9 -7.8 17.9 29.0 16.4 129 129 A G 0 0 80 1,-0.3 -3,-0.1 -4,-0.3 -1,-0.0 0.800 360.0 360.0 75.8 29.5 19.5 32.2 17.9 130 130 A V 0 0 72 -5,-0.4 -1,-0.3 -117,-0.0 -3,-0.1 -0.831 360.0 360.0-118.0 360.0 20.5 30.6 21.2