==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 10-JAN-92 1HEL . COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.P.WILSON,B.A.MALCOLM,B.W.MATTHEWS . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 9 7.0 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 . 34 26.4 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 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 76 0, 0.0 39,-2.6 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 133.0 2.4 10.5 9.2 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.864 360.0-148.8-100.3 105.2 2.5 13.8 7.3 3 3 A F - 0 0 13 35,-2.5 2,-0.3 -2,-0.8 3,-0.0 -0.390 8.4-123.3 -74.1 155.8 -1.0 15.2 7.2 4 4 A G > - 0 0 35 1,-0.1 4,-2.4 -2,-0.1 5,-0.3 -0.636 32.3-110.5 -87.2 148.5 -2.6 17.3 4.5 5 5 A R H > S+ 0 0 84 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.912 116.0 37.3 -45.3 -56.3 -4.1 20.6 5.7 6 6 A a H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.819 112.8 56.8 -72.0 -34.6 -7.8 19.6 5.2 7 7 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 111.1 44.8 -62.9 -41.5 -7.3 16.0 6.3 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.921 109.9 54.3 -67.0 -45.1 -5.9 17.3 9.6 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.945 110.1 48.0 -51.0 -48.0 -8.7 19.9 10.0 10 10 A A H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.894 112.8 47.7 -66.5 -37.5 -11.3 17.1 9.6 11 11 A A H X S+ 0 0 21 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.884 112.0 48.0 -69.6 -42.0 -9.5 14.9 12.1 12 12 A M H <>S+ 0 0 1 -4,-2.7 5,-2.3 2,-0.2 6,-0.3 0.880 112.7 51.2 -63.5 -38.4 -9.2 17.7 14.7 13 13 A K H ><5S+ 0 0 86 -4,-2.5 3,-1.8 -5,-0.3 5,-0.3 0.930 108.8 49.4 -62.8 -47.0 -12.8 18.6 14.1 14 14 A R H 3<5S+ 0 0 197 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.2 57.7 -63.4 -28.7 -13.9 15.0 14.7 15 15 A H T 3<5S- 0 0 34 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.276 121.4-103.6 -87.5 9.5 -11.8 15.0 17.8 16 16 A G T < 5S+ 0 0 38 -3,-1.8 -3,-0.2 -5,-0.0 -2,-0.1 0.565 83.8 124.0 81.6 16.7 -13.7 18.0 19.4 17 17 A L > < + 0 0 0 -5,-2.3 3,-1.8 -6,-0.1 2,-0.4 0.709 35.5 105.8 -82.0 -19.7 -11.1 20.7 18.8 18 18 A D T 3 S- 0 0 60 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.549 105.8 -9.8 -67.1 121.7 -13.3 23.2 16.9 19 19 A N T > S+ 0 0 91 4,-1.7 3,-2.5 -2,-0.4 2,-0.5 0.592 88.6 165.1 63.8 17.7 -14.0 26.0 19.3 20 20 A Y B X S-B 23 0B 69 -3,-1.8 3,-1.2 3,-0.7 -1,-0.3 -0.511 80.1 -5.2 -64.2 114.0 -12.7 24.0 22.1 21 21 A R T 3 S- 0 0 148 -2,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.817 134.2 -59.7 66.5 28.6 -12.2 26.7 24.8 22 22 A G T < S+ 0 0 66 -3,-2.5 2,-0.7 1,-0.2 -1,-0.2 0.504 104.9 129.0 80.3 4.5 -13.3 29.3 22.3 23 23 A Y B < -B 20 0B 46 -3,-1.2 -4,-1.7 -6,-0.1 -3,-0.7 -0.862 54.4-134.6 -98.4 113.7 -10.4 28.6 19.8 24 24 A S >> - 0 0 35 -2,-0.7 3,-2.1 -5,-0.2 4,-1.0 -0.192 26.1-101.8 -63.5 153.0 -11.7 28.0 16.3 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.815 118.7 63.9 -42.0 -45.2 -10.5 25.1 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.789 97.8 56.6 -57.4 -29.4 -8.2 27.4 12.1 27 27 A N H <> S+ 0 0 20 -3,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.927 108.2 46.1 -65.3 -45.7 -6.1 28.2 15.3 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.885 115.0 46.5 -64.8 -41.9 -5.4 24.5 15.9 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 112.3 50.8 -68.8 -39.2 -4.5 23.9 12.2 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.928 110.0 50.0 -62.5 -45.6 -2.3 27.0 12.1 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.936 110.5 49.7 -61.7 -40.9 -0.5 25.9 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 6,-1.5 0.900 108.7 53.6 -65.7 -38.8 0.2 22.4 13.9 33 33 A K H X5S+ 0 0 63 -4,-2.4 4,-1.6 4,-0.2 -1,-0.2 0.970 116.8 36.4 -58.0 -51.9 1.5 23.8 10.6 34 34 A F H <5S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.797 118.9 48.7 -74.8 -25.9 4.0 26.0 12.4 35 35 A E H <5S- 0 0 28 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.923 137.6 -4.4 -79.1 -46.3 4.9 23.5 15.3 36 36 A S H ><5S- 0 0 10 -4,-2.2 3,-1.8 19,-0.4 -3,-0.2 0.283 87.2-113.1-131.5 3.2 5.5 20.4 13.3 37 37 A N T 3< - 0 0 52 4,-3.5 3,-1.6 -2,-0.3 -1,-0.0 -0.610 23.9-112.7-107.5 165.2 15.2 22.1 24.1 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.863 115.5 60.9 -63.1 -35.2 18.1 23.8 25.9 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.519 121.2-108.2 -70.7 -1.1 16.6 22.8 29.3 49 49 A G S < S+ 0 0 28 -3,-1.6 -2,-0.1 1,-0.4 -1,-0.1 0.399 83.2 121.5 91.3 -7.7 16.9 19.2 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.5 -5,-0.1 -1,-0.4 -0.385 52.4-141.8 -80.3 174.5 13.3 18.7 27.7 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.1 -3,-0.1 2,-0.3 -0.981 4.0-135.6-139.9 145.3 12.0 17.6 24.2 52 52 A D E -CD 44 59C 26 -8,-2.7 -8,-1.5 -2,-0.3 2,-0.4 -0.808 27.1-159.6-101.1 135.6 8.8 18.6 22.2 53 53 A Y E > -CD 43 58C 25 5,-1.3 5,-2.1 -2,-0.3 3,-0.4 -0.979 32.0 -16.0-128.8 135.9 6.9 15.7 20.5 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.6 -2,-0.4 30,-0.2 -0.085 99.0 -29.8 82.2-170.3 4.4 15.3 17.7 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.749 140.8 35.4 -59.5 -28.8 2.1 17.4 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.298 104.8-124.8-113.5 9.9 1.6 19.9 18.5 57 57 A Q T < 5 - 0 0 13 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.904 33.4-164.6 50.0 54.7 5.0 19.7 19.9 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-1.3 25,-0.1 2,-0.2 -0.540 18.4-118.4 -77.1 128.0 4.0 18.8 23.5 59 59 A N E >> -D 52 0C 25 -2,-0.3 4,-1.9 -7,-0.2 5,-0.6 -0.498 7.1-147.9 -80.6 138.1 6.8 19.3 26.0 60 60 A S T 45S+ 0 0 0 -9,-2.1 14,-0.4 3,-0.2 6,-0.2 0.563 91.2 74.8 -79.1 -12.3 8.3 16.5 28.2 61 61 A R T 45S- 0 0 47 -10,-0.2 12,-2.0 11,-0.2 13,-0.2 0.951 121.6 -0.3 -65.1 -43.0 9.0 18.9 31.1 62 62 A W T 45S+ 0 0 110 -3,-0.3 13,-3.2 10,-0.2 -2,-0.2 0.776 130.5 43.3-112.2 -36.6 5.3 19.0 32.0 63 63 A W T <5S+ 0 0 28 -4,-1.9 13,-1.8 11,-0.3 15,-0.3 0.695 106.5 16.2 -98.7 -26.4 3.0 16.9 29.8 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 11,-0.1 10,-0.4 -0.980 68.7-111.4-147.6 161.3 4.4 13.5 29.0 65 65 A N B +e 79 0D 76 13,-2.5 15,-2.0 -2,-0.3 16,-0.4 -0.869 32.3 162.9-100.6 126.1 7.1 11.1 30.2 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.286 51.4-120.3-117.5 4.7 10.2 10.4 28.0 67 67 A G S S+ 0 0 64 2,-0.2 -2,-0.1 -7,-0.1 -7,-0.0 0.501 99.5 69.6 73.8 6.2 12.4 8.9 30.7 68 68 A R + 0 0 126 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.309 68.5 89.9-141.1 19.5 15.1 11.5 30.2 69 69 A T > - 0 0 10 -9,-0.1 3,-1.9 -8,-0.0 -2,-0.2 -0.910 68.7-144.7-121.8 92.3 13.7 14.8 31.6 70 70 A P T 3 S+ 0 0 112 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.322 87.0 22.0 -58.0 116.0 14.6 15.0 35.3 71 71 A G T 3 S+ 0 0 68 1,-0.2 2,-0.2 -2,-0.1 0, 0.0 0.680 84.9 160.1 94.3 11.0 11.8 16.6 37.1 72 72 A S < - 0 0 30 -3,-1.9 -1,-0.2 1,-0.1 -10,-0.2 -0.499 29.5-156.6 -67.9 142.3 9.2 15.9 34.5 73 73 A R - 0 0 171 -12,-2.0 -11,-0.2 -2,-0.2 -1,-0.1 0.657 13.2-147.8 -93.3 -18.0 5.5 16.1 35.8 74 74 A N > + 0 0 45 -10,-0.4 3,-1.8 -14,-0.4 -11,-0.3 0.874 27.5 170.3 54.0 42.3 3.7 13.8 33.3 75 75 A L T 3 S+ 0 0 92 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.1 0.763 74.6 47.2 -57.5 -30.2 0.5 15.8 33.5 76 76 A d T 3 S- 0 0 23 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.502 105.1-131.0 -90.5 -3.2 -1.2 14.0 30.5 77 77 A N < + 0 0 133 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.928 64.6 110.2 59.1 52.5 -0.1 10.6 31.9 78 78 A I S S- 0 0 29 -15,-0.3 -13,-2.5 16,-0.0 -1,-0.2 -0.999 74.8-100.7-152.7 154.9 1.4 9.2 28.8 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.495 36.9-125.1 -71.5 141.1 4.7 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.0 3,-1.9 1,-0.3 -14,-0.1 0.837 107.6 67.7 -58.6 -29.6 5.9 11.0 25.0 81 81 A S G > S+ 0 0 85 -16,-0.4 3,-2.0 1,-0.3 4,-0.3 0.825 87.2 67.7 -63.8 -25.3 6.2 8.4 22.2 82 82 A A G X S+ 0 0 35 -3,-1.4 3,-0.8 1,-0.3 -1,-0.3 0.772 90.8 63.8 -61.0 -26.2 2.5 8.0 22.2 83 83 A L G < S+ 0 0 2 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.413 93.3 63.1 -77.0 -2.7 2.3 11.6 20.9 84 84 A L G < S+ 0 0 42 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.437 77.0 118.8-103.2 -3.6 4.1 10.5 17.6 85 85 A S S < S- 0 0 57 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.202 74.0-122.5 -61.4 157.8 1.5 8.1 16.3 86 86 A S S S+ 0 0 71 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.732 102.4 76.6 -69.0 -28.5 -0.4 8.5 13.0 87 87 A D S S- 0 0 98 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.784 73.6-160.1 -84.8 113.5 -3.6 8.5 15.2 88 88 A I > + 0 0 8 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.444 59.5 107.3 -81.0 4.0 -3.7 12.0 16.7 89 89 A T H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 78.7 45.9 -49.1 -50.3 -6.1 11.1 19.6 90 90 A A H > S+ 0 0 29 -3,-0.5 4,-2.1 -8,-0.2 -1,-0.2 0.887 113.1 51.2 -65.1 -37.1 -3.5 11.2 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.5 -9,-0.2 -1,-0.2 0.904 112.1 46.7 -63.9 -43.4 -2.0 14.6 21.2 92 92 A V H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.931 112.1 48.9 -64.2 -46.2 -5.4 16.1 21.0 93 93 A N H X S+ 0 0 88 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.930 114.7 46.5 -59.6 -44.8 -6.5 14.9 24.5 94 94 A d H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 3,-0.4 0.911 110.0 53.4 -65.2 -43.1 -3.3 16.2 26.0 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.855 102.5 57.8 -61.9 -33.9 -3.7 19.5 24.1 96 96 A K H X S+ 0 0 43 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.903 107.4 48.0 -64.6 -33.6 -7.1 19.9 25.6 97 97 A K H X S+ 0 0 140 -4,-1.2 4,-0.9 -3,-0.4 3,-0.2 0.936 113.3 49.2 -69.1 -43.9 -5.5 19.7 29.2 98 98 A I H >< S+ 0 0 9 -4,-2.1 3,-0.9 1,-0.2 5,-0.3 0.936 110.3 47.3 -59.0 -53.5 -2.9 22.2 28.2 99 99 A V H >< S+ 0 0 4 -4,-3.0 3,-0.5 1,-0.2 5,-0.2 0.727 109.1 56.2 -67.2 -19.3 -5.2 24.8 26.6 100 100 A S H 3< S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.705 88.3 88.2 -80.4 -19.8 -7.5 24.6 29.7 101 101 A D T << S- 0 0 110 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.1 0.249 106.6 -87.9 -63.4 -3.5 -4.5 25.4 32.0 102 102 A G S < S+ 0 0 61 -3,-0.5 -3,-0.1 -4,-0.0 -1,-0.1 -0.149 114.8 58.2 127.8 -59.5 -4.5 29.2 32.1 103 103 A N S > S- 0 0 124 1,-0.3 3,-1.7 -5,-0.3 -4,-0.1 0.358 84.9-154.3 -93.5 8.0 -2.6 30.9 29.2 104 104 A G G > - 0 0 9 -6,-0.3 3,-1.5 1,-0.2 -1,-0.3 -0.335 66.4 -12.5 60.4-136.9 -4.7 29.1 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.6 2,-0.2 7,-0.3 0.593 117.1 88.2 -75.9 -9.3 -3.0 28.7 23.2 106 106 A N G < + 0 0 43 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.728 69.2 79.1 -61.7 -15.1 -0.3 31.0 24.3 107 107 A A G < S+ 0 0 58 -3,-1.5 2,-0.8 1,-0.1 -1,-0.3 0.763 83.6 72.5 -60.8 -25.1 1.3 27.8 25.6 108 108 A W S <> S- 0 0 9 -3,-2.6 4,-2.7 1,-0.2 3,-0.3 -0.824 71.4-161.9 -97.0 109.0 2.3 27.3 22.0 109 109 A V H > S+ 0 0 72 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.891 90.8 49.8 -57.2 -42.2 5.0 29.7 21.0 110 110 A A H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.843 110.1 53.2 -64.9 -32.1 4.5 29.3 17.2 111 111 A W H >>S+ 0 0 12 -3,-0.3 5,-3.7 -6,-0.2 4,-2.3 0.951 111.7 44.1 -64.7 -48.0 0.8 29.9 17.8 112 112 A R H <5S+ 0 0 110 -4,-2.7 -2,-0.2 -7,-0.3 -1,-0.2 0.929 122.5 37.7 -63.0 -41.7 1.5 33.1 19.7 113 113 A N H <5S+ 0 0 115 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.756 133.0 19.0 -82.8 -26.4 4.1 34.3 17.2 114 114 A R H <5S+ 0 0 138 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.575 130.6 29.9-123.2 -14.8 2.6 33.1 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.1 -5,-0.4 -3,-0.2 0.740 84.5 100.8-113.2 -49.2 -1.1 32.5 14.3 116 116 A K T 3 + 0 0 114 -2,-0.2 3,-1.9 1,-0.2 4,-0.2 -0.551 54.1 171.9 -80.3 80.2 -6.8 35.4 9.6 120 120 A V G > + 0 0 15 -2,-2.1 3,-1.6 1,-0.3 4,-0.3 0.662 63.9 79.1 -65.6 -16.4 -6.6 31.8 10.9 121 121 A Q G >> S+ 0 0 128 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.762 77.2 74.7 -63.3 -22.7 -9.8 31.0 9.0 122 122 A A G X4 S+ 0 0 30 -3,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.813 83.9 67.8 -56.2 -31.5 -7.6 30.8 6.0 123 123 A W G <4 S+ 0 0 56 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.720 106.1 36.7 -66.2 -22.6 -6.3 27.5 7.3 124 124 A I G X4 S+ 0 0 38 -3,-1.5 3,-1.9 -4,-0.3 -1,-0.2 0.401 85.6 131.6-111.0 3.2 -9.6 25.7 6.8 125 125 A R T << S+ 0 0 175 -3,-0.8 3,-0.1 -4,-0.5 -119,-0.0 -0.344 74.9 12.8 -59.7 132.9 -10.6 27.4 3.6 126 126 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 3,-0.0 -1,-0.3 0.376 94.7 134.0 82.1 1.4 -11.7 25.0 0.9 127 127 A a < - 0 0 23 -3,-1.9 2,-1.3 1,-0.1 -1,-0.3 -0.593 60.7-125.7 -86.8 145.7 -12.0 22.1 3.2 128 128 A R 0 0 240 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.688 360.0 360.0 -83.9 99.7 -14.9 19.8 3.2 129 129 A L 0 0 93 -2,-1.3 -119,-0.1 -5,-0.1 -3,-0.0 -0.846 360.0 360.0-124.8 360.0 -16.0 19.9 6.8