==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-99 1CKH . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TAKANO,Y.YAMAGATA,J.FUNAHASHI,K.YUTANI . 130 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 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 . 25 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 26.2 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 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 77 0, 0.0 39,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 138.5 1.9 20.3 21.1 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.941 360.0-144.3-112.6 105.1 4.5 19.5 18.4 3 3 A F - 0 0 10 35,-2.4 2,-0.3 -2,-0.7 3,-0.1 -0.320 7.8-126.9 -66.4 148.6 7.3 22.1 18.6 4 4 A E > - 0 0 149 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.700 37.5-106.1 -89.6 149.7 9.1 23.4 15.6 5 5 A R H > S+ 0 0 94 -2,-0.3 4,-2.2 1,-0.2 3,-0.2 0.925 115.2 35.6 -42.1 -69.3 12.9 23.0 16.1 6 6 A a H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.801 113.5 61.2 -62.1 -27.4 14.1 26.6 16.9 7 7 A E H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 108.5 42.8 -63.6 -48.0 10.8 27.2 18.8 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 -3,-0.2 5,-0.2 0.904 109.2 58.4 -65.8 -41.5 11.7 24.4 21.2 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.943 110.6 41.5 -56.3 -47.2 15.4 25.5 21.4 10 10 A R H X S+ 0 0 113 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.898 113.3 54.6 -67.8 -38.6 14.5 29.0 22.7 11 11 A T H X S+ 0 0 17 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.934 111.1 44.9 -59.0 -47.2 11.9 27.6 24.9 12 12 A L H <>S+ 0 0 0 -4,-3.1 5,-2.0 2,-0.2 6,-0.2 0.909 111.9 51.8 -64.2 -42.8 14.4 25.2 26.5 13 13 A K H ><5S+ 0 0 95 -4,-2.5 3,-2.3 -5,-0.2 5,-0.3 0.944 107.8 52.0 -59.6 -46.9 17.0 28.0 26.9 14 14 A R H 3<5S+ 0 0 189 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.856 105.4 56.2 -58.6 -34.5 14.5 30.2 28.6 15 15 A L T 3<5S- 0 0 54 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.357 124.2-104.7 -81.0 8.7 13.8 27.4 31.0 16 16 A G T < 5S+ 0 0 39 -3,-2.3 -3,-0.2 -4,-0.0 -2,-0.1 0.780 80.2 130.1 76.9 32.1 17.5 27.2 32.0 17 17 A M > < + 0 0 0 -5,-2.0 3,-1.4 2,-0.1 2,-1.0 0.652 35.5 103.8 -91.1 -17.7 18.5 24.1 30.1 18 18 A D T 3 S- 0 0 75 -5,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.530 106.1 -7.2 -71.7 101.7 21.6 25.5 28.3 19 19 A G T > S+ 0 0 39 4,-2.8 3,-2.2 -2,-1.0 2,-0.4 0.536 84.8 164.9 92.7 3.8 24.5 24.0 30.3 20 20 A Y B X S-B 23 0B 47 -3,-1.4 3,-1.6 3,-0.7 -1,-0.3 -0.449 83.6 -12.0 -57.0 116.9 22.3 22.6 33.0 21 21 A R T 3 S- 0 0 163 -2,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.905 133.9 -54.6 52.9 40.1 24.8 20.2 34.8 22 22 A G T < S+ 0 0 73 -3,-2.2 2,-0.6 1,-0.2 -1,-0.3 0.454 104.3 134.7 77.5 5.2 27.2 20.7 31.8 23 23 A I B < -B 20 0B 12 -3,-1.6 -4,-2.8 -6,-0.1 -3,-0.7 -0.754 47.8-139.1 -93.6 118.0 24.6 19.7 29.2 24 24 A S >> - 0 0 45 -2,-0.6 4,-1.5 -6,-0.2 3,-0.6 -0.247 21.6-114.0 -69.1 161.9 24.4 21.9 26.1 25 25 A L H 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.848 115.2 61.8 -62.3 -40.0 21.1 22.9 24.5 26 26 A A H 3> S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 103.0 51.5 -58.6 -32.4 22.0 20.9 21.3 27 27 A N H <> S+ 0 0 35 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.936 109.2 48.4 -70.4 -44.9 22.1 17.7 23.5 28 28 A W H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.832 113.1 49.1 -60.9 -37.6 18.7 18.4 25.0 29 29 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.832 109.6 50.3 -68.2 -42.9 17.3 19.0 21.5 30 30 A b H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 5,-0.2 0.892 113.1 48.7 -64.2 -37.6 18.9 15.8 20.1 31 31 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 3,-0.3 0.984 112.7 44.4 -65.8 -58.0 17.3 14.0 23.0 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 6,-1.4 0.854 111.7 57.1 -55.1 -35.8 13.8 15.5 22.6 33 33 A K H X5S+ 0 0 65 -4,-2.1 4,-1.1 4,-0.2 -1,-0.2 0.909 115.4 32.8 -62.7 -48.0 14.0 14.9 18.8 34 34 A W H <5S+ 0 0 101 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.787 119.2 53.6 -82.0 -27.8 14.7 11.1 19.0 35 35 A E H <5S- 0 0 37 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.930 137.9 -12.6 -72.6 -44.3 12.5 10.6 22.1 36 36 A S H ><5S- 0 0 20 -4,-2.3 3,-1.0 20,-0.4 -3,-0.2 0.353 82.1-110.3-142.1 5.5 9.3 12.2 20.8 37 37 A G T 3<>> -C 51 0C 53 5,-2.7 4,-1.6 -2,-0.2 3,-0.9 -0.907 10.0-173.8-120.4 96.7 5.9 -0.8 27.9 47 47 A A T 345S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.848 77.8 73.4 -60.2 -31.4 3.9 -4.1 28.3 48 48 A G T 345S+ 0 0 85 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.840 122.6 4.2 -51.6 -42.4 7.1 -5.7 29.7 49 49 A D T <45S- 0 0 72 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.266 99.4-113.5-129.3 8.4 6.8 -3.9 33.0 50 50 A R T <5S+ 0 0 149 -4,-1.6 -3,-0.2 1,-0.2 2,-0.1 0.526 73.3 129.8 70.7 10.8 3.5 -2.0 32.7 51 51 A S E < -C 46 0C 0 -5,-0.6 -5,-2.7 19,-0.1 2,-0.3 -0.393 45.5-143.7 -90.3 168.1 5.2 1.4 32.7 52 52 A T E -C 45 0C 9 -7,-0.2 9,-2.3 -2,-0.1 2,-0.5 -0.989 9.0-133.2-136.8 141.8 4.7 4.3 30.2 53 53 A D E -CD 44 60C 33 -9,-2.7 -9,-1.5 -2,-0.3 2,-0.4 -0.869 31.3-157.0 -91.7 124.7 7.0 6.9 28.7 54 54 A Y E > -CD 43 59C 20 5,-2.5 5,-2.2 -2,-0.5 3,-0.4 -0.873 30.9 -26.3-114.5 135.6 5.5 10.4 28.9 55 55 A G T > 5S- 0 0 0 -13,-2.1 3,-1.3 -2,-0.4 -16,-0.2 -0.083 97.5 -25.5 80.4-166.4 6.0 13.6 26.9 56 56 A I T 3 5S+ 0 0 2 28,-0.3 -20,-0.4 1,-0.3 -18,-0.3 0.759 141.1 34.9 -63.4 -25.6 8.6 15.4 24.9 57 57 A F T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.265 105.7-125.7-109.4 3.5 11.5 13.6 26.8 58 58 A Q T < 5 - 0 0 7 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.895 35.2-168.2 47.6 56.1 9.6 10.3 27.2 59 59 A I E < -D 54 0C 2 -5,-2.2 -5,-2.5 -6,-0.1 2,-0.4 -0.570 17.2-122.4 -77.7 127.7 10.1 10.2 31.0 60 60 A N E >> -D 53 0C 23 -2,-0.4 4,-2.7 -7,-0.2 3,-1.0 -0.585 8.3-149.2 -83.5 133.1 9.2 6.8 32.5 61 61 A S T 34 S+ 0 0 1 -9,-2.3 13,-0.2 -2,-0.4 6,-0.2 0.556 89.9 76.5 -71.0 -13.6 6.6 6.2 35.2 62 62 A R T 34 S+ 0 0 97 -10,-0.2 12,-2.9 11,-0.2 -1,-0.2 0.936 123.5 0.7 -62.0 -37.6 8.4 3.2 36.7 63 63 A Y T <4 S+ 0 0 117 -3,-1.0 13,-3.2 10,-0.2 -2,-0.2 0.760 132.6 40.4-117.8 -40.3 10.8 5.7 38.3 64 64 A W S < S+ 0 0 39 -4,-2.7 13,-2.5 11,-0.3 15,-0.4 0.814 108.1 20.6 -92.6 -38.4 10.0 9.4 37.6 65 65 A c S S- 0 0 0 -5,-0.4 2,-0.5 9,-0.3 15,-0.2 -0.942 70.4-118.4-132.1 157.3 6.3 10.3 37.6 66 66 A N B +e 80 0D 82 13,-2.6 15,-2.4 -2,-0.3 16,-0.3 -0.845 35.2 158.1-100.8 128.7 3.2 8.7 39.2 67 67 A D - 0 0 38 -2,-0.5 -1,-0.1 -6,-0.2 13,-0.1 0.224 51.5-126.9-122.1 3.0 0.3 7.5 36.9 68 68 A G S S+ 0 0 63 -7,-0.1 -2,-0.1 1,-0.1 12,-0.0 0.388 88.3 88.6 66.6 -3.4 -1.0 5.0 39.5 69 69 A K + 0 0 111 -19,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.382 55.2 93.5-108.3 4.7 -1.0 2.0 37.2 70 70 A V S S- 0 0 18 1,-0.2 3,-0.3 -9,-0.1 -20,-0.1 -0.890 72.4-137.7 -97.3 119.6 2.5 0.5 37.5 71 71 A P S S+ 0 0 104 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.864 92.2 16.3 -41.6 -51.0 2.3 -2.3 40.1 72 72 A G S S+ 0 0 47 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 -0.945 91.5 131.6-132.1 110.4 5.6 -1.3 41.7 73 73 A A - 0 0 42 -2,-0.5 2,-0.3 -3,-0.3 -10,-0.2 -0.936 39.0-137.3-150.9 169.2 6.9 2.1 40.9 74 74 A V - 0 0 89 -12,-2.9 -9,-0.3 -2,-0.3 2,-0.3 -0.845 11.2-141.5-126.1 168.6 8.4 5.3 42.3 75 75 A N > + 0 0 46 -2,-0.3 3,-1.4 -11,-0.2 -11,-0.3 -0.694 26.6 167.8-131.7 72.5 7.8 9.0 41.5 76 76 A A T 3 S+ 0 0 25 -13,-3.2 -12,-0.2 -2,-0.3 -11,-0.1 0.802 80.0 48.6 -59.7 -34.8 11.3 10.6 41.7 77 77 A d T 3 S- 0 0 18 -13,-2.5 -1,-0.3 2,-0.1 -12,-0.1 0.446 104.6-131.9 -84.4 -2.3 10.2 13.9 40.1 78 78 A H < + 0 0 160 -3,-1.4 2,-0.3 -14,-0.2 -13,-0.1 0.914 63.4 124.1 50.4 52.3 7.2 14.0 42.5 79 79 A L - 0 0 36 -15,-0.4 -13,-2.6 16,-0.0 2,-0.3 -0.977 68.5-113.5-138.2 150.4 4.8 14.8 39.6 80 80 A S B > -e 66 0D 71 -2,-0.3 3,-1.7 -15,-0.2 4,-0.4 -0.638 35.4-121.7 -77.4 143.0 1.6 13.2 38.2 81 81 A c G > S+ 0 0 3 -15,-2.4 3,-1.4 -2,-0.3 -1,-0.1 0.766 110.8 73.4 -60.6 -20.2 2.5 11.9 34.8 82 82 A S G > S+ 0 0 81 -16,-0.3 3,-2.5 1,-0.3 -1,-0.3 0.886 85.5 65.2 -57.6 -38.3 -0.3 14.2 33.5 83 83 A A G X S+ 0 0 17 -3,-1.7 3,-0.8 1,-0.3 9,-0.3 0.789 95.4 57.8 -57.0 -25.2 2.2 17.0 34.1 84 84 A L G < S+ 0 0 4 -3,-1.4 -28,-0.3 -4,-0.4 -1,-0.3 0.283 99.5 59.8 -90.6 10.3 4.4 15.6 31.4 85 85 A L G < S+ 0 0 57 -3,-2.5 -1,-0.2 -30,-0.1 -2,-0.2 0.316 77.8 112.4-118.6 6.9 1.7 15.9 28.8 86 86 A Q S < S- 0 0 80 -3,-0.8 6,-0.1 2,-0.3 -3,-0.0 -0.429 73.5-125.5 -77.5 154.4 1.0 19.6 28.9 87 87 A D S S+ 0 0 99 -2,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.813 100.5 77.6 -67.5 -31.0 1.8 22.0 26.0 88 88 A N S S- 0 0 100 1,-0.1 3,-0.5 -48,-0.0 4,-0.3 -0.756 70.6-164.1 -81.3 118.8 3.8 23.9 28.5 89 89 A I > + 0 0 5 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.390 58.2 104.9 -88.9 6.3 7.1 22.1 29.1 90 90 A A H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 84.9 44.3 -53.5 -46.5 8.2 23.7 32.4 91 91 A D H > S+ 0 0 60 -3,-0.5 4,-1.9 -8,-0.2 -1,-0.2 0.905 113.4 50.9 -66.2 -39.1 7.3 20.8 34.5 92 92 A A H > S+ 0 0 6 -9,-0.3 4,-2.6 -4,-0.3 -2,-0.2 0.861 110.5 50.1 -65.2 -36.9 8.8 18.3 32.1 93 93 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.924 107.4 53.7 -67.9 -42.3 12.0 20.4 32.1 94 94 A A H X S+ 0 0 49 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.877 113.1 43.3 -58.8 -39.1 12.0 20.4 35.9 95 95 A d H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.887 110.0 55.3 -72.5 -40.5 11.8 16.5 35.8 96 96 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.869 109.1 49.2 -59.5 -38.0 14.4 16.3 33.0 97 97 A K H X S+ 0 0 40 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.908 109.0 52.4 -67.6 -42.9 16.8 18.3 35.3 98 98 A R H >< S+ 0 0 66 -4,-1.6 3,-1.0 -5,-0.2 4,-0.4 0.931 106.9 53.0 -58.2 -47.3 16.0 16.0 38.2 99 99 A V H >< S+ 0 0 4 -4,-2.9 3,-1.5 1,-0.3 6,-0.3 0.935 110.2 47.1 -54.7 -49.7 16.9 12.9 36.0 100 100 A V H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.596 93.5 76.4 -71.4 -11.6 20.3 14.4 35.1 101 101 A R T << S+ 0 0 110 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.648 84.3 83.6 -71.1 -15.7 21.0 15.3 38.7 102 102 A D S X S- 0 0 68 -3,-1.5 3,-1.6 -4,-0.4 6,-0.1 -0.488 104.0 -92.4 -81.0 164.3 21.7 11.5 39.2 103 103 A P T 3 S+ 0 0 134 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.827 119.4 57.9 -43.4 -54.7 25.2 10.1 38.2 104 104 A Q T > S- 0 0 98 1,-0.2 3,-1.9 -5,-0.1 2,-0.1 0.743 82.9-173.9 -52.2 -29.8 24.5 9.1 34.6 105 105 A G G X S- 0 0 16 -3,-1.6 3,-1.6 -6,-0.3 -1,-0.2 -0.455 70.7 -5.0 69.2-134.8 23.6 12.6 33.8 106 106 A I G > S+ 0 0 14 1,-0.3 3,-1.2 2,-0.1 -1,-0.3 0.684 123.4 80.7 -66.6 -14.9 22.3 12.8 30.2 107 107 A R G < + 0 0 103 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.511 64.8 90.4 -69.4 -6.4 23.2 9.1 29.8 108 108 A A G < S+ 0 0 33 -3,-1.6 2,-0.6 -6,-0.1 -1,-0.2 0.845 77.6 69.3 -57.9 -35.7 19.9 8.1 31.7 109 109 A W S <> S- 0 0 18 -3,-1.2 4,-1.6 1,-0.2 3,-0.4 -0.794 72.0-156.9 -88.0 120.1 18.2 8.0 28.3 110 110 A V H > S+ 0 0 84 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.870 94.7 60.4 -62.9 -35.3 19.4 5.1 26.2 111 111 A A H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.875 101.2 52.9 -61.0 -35.2 18.3 7.0 23.1 112 112 A W H >>S+ 0 0 16 -3,-0.4 5,-2.4 -6,-0.2 4,-2.3 0.958 109.9 48.9 -64.0 -46.5 20.7 9.8 23.9 113 113 A R H <5S+ 0 0 99 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.925 119.6 36.4 -57.8 -46.4 23.6 7.3 24.2 114 114 A N H <5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 130.8 26.2 -78.7 -34.7 22.8 5.6 20.9 115 115 A R H <5S+ 0 0 123 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.477 133.5 22.4-112.2 -1.3 21.7 8.6 18.8 116 116 A b T ><5S+ 0 0 2 -4,-2.3 3,-1.3 -5,-0.3 -3,-0.2 0.591 88.1 104.8-132.3 -36.7 23.4 11.7 20.3 117 117 A Q T 3 + 0 0 19 -2,-1.1 3,-1.8 1,-0.2 4,-0.3 0.368 41.8 104.8 -99.4 7.0 24.6 17.7 17.2 122 122 A R G >> + 0 0 164 1,-0.3 3,-2.2 2,-0.2 4,-1.3 0.860 68.7 72.1 -53.6 -37.8 25.1 21.4 16.0 123 123 A Q G 34 S+ 0 0 120 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.797 86.4 65.9 -48.5 -33.7 22.4 20.9 13.4 124 124 A Y G <4 S+ 0 0 26 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.695 115.4 22.5 -67.1 -22.4 19.8 20.9 16.2 125 125 A V T X4 S+ 0 0 22 -3,-2.2 3,-1.9 -4,-0.3 5,-0.5 0.428 86.0 124.0-124.2 -3.6 20.3 24.6 17.2 126 126 A Q T 3< S+ 0 0 111 -4,-1.3 -120,-0.1 1,-0.3 -3,-0.0 -0.437 84.2 12.7 -66.5 129.6 21.9 26.2 14.2 127 127 A G T 3 S+ 0 0 81 -2,-0.2 -1,-0.3 3,-0.1 -4,-0.0 0.348 99.7 102.7 88.5 -4.1 19.8 29.2 13.0 128 128 A a S < S- 0 0 2 -3,-1.9 -2,-0.1 2,-0.1 -118,-0.1 0.540 86.1-124.4 -87.7 -9.0 17.8 29.3 16.3 129 129 A G 0 0 78 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.835 360.0 360.0 70.7 34.1 19.6 32.2 17.9 130 130 A V 0 0 65 -5,-0.5 -1,-0.2 -117,-0.0 -3,-0.1 -0.669 360.0 360.0-115.0 360.0 20.5 30.4 21.0