==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-05 2C8O . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 SYNTHETIC: YES; . AUTHOR X.VERNEDE,B.LAVAULT,J.OHANA,D.NURIZZO,J.JOLY,L.JACQUAMET, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6605.0 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 . 27 20.9 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 73 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 156.9 2.6 10.5 8.7 2 2 A V B -A 39 0A 96 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.870 360.0-150.1-103.4 113.9 2.2 13.8 7.0 3 3 A F - 0 0 16 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.499 13.6-121.3 -79.0 148.6 -1.4 15.1 6.8 4 4 A G > - 0 0 35 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.499 33.5-107.5 -72.6 158.2 -2.8 17.3 4.2 5 5 A R H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.936 118.7 35.6 -52.7 -56.4 -4.2 20.6 5.3 6 6 A a H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.845 113.8 59.3 -70.4 -33.6 -7.9 19.7 4.9 7 7 A E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.914 109.7 43.2 -60.3 -43.4 -7.3 16.1 6.0 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.892 110.5 54.9 -70.3 -40.3 -6.0 17.4 9.3 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.939 111.3 46.1 -55.0 -47.8 -8.8 20.0 9.7 10 10 A A H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.910 113.2 48.1 -62.3 -44.9 -11.3 17.2 9.3 11 11 A A H X S+ 0 0 11 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.901 111.7 50.4 -63.4 -41.8 -9.5 14.8 11.7 12 12 A M H <>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 6,-0.4 0.887 111.6 48.0 -62.9 -39.0 -9.2 17.6 14.3 13 13 A K H ><5S+ 0 0 93 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.915 109.4 52.4 -68.2 -43.0 -12.9 18.4 14.0 14 14 A R H 3<5S+ 0 0 176 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.6 52.2 -60.9 -33.8 -13.8 14.7 14.3 15 15 A H T 3<5S- 0 0 28 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.291 123.1-104.4 -89.8 9.0 -11.7 14.6 17.5 16 16 A G T < 5S+ 0 0 36 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.638 84.3 122.6 86.9 18.1 -13.5 17.6 19.0 17 17 A L > < + 0 0 0 -5,-2.7 3,-2.2 -6,-0.1 2,-0.4 0.705 37.1 110.5 -85.6 -18.7 -11.0 20.3 18.6 18 18 A D T 3 S- 0 0 67 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.422 103.8 -10.1 -62.9 115.6 -13.2 22.7 16.6 19 19 A N T > S+ 0 0 102 4,-1.3 3,-2.3 -2,-0.4 -1,-0.3 0.609 90.7 165.6 65.3 17.9 -13.9 25.6 18.9 20 20 A Y B X S-B 23 0B 69 -3,-2.2 3,-2.0 3,-0.6 -1,-0.2 -0.464 78.3 -3.1 -64.1 127.7 -12.4 23.7 21.9 21 21 A R T 3 S- 0 0 160 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.784 135.4 -61.7 53.1 27.7 -11.9 26.3 24.6 22 22 A G T < S+ 0 0 55 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.527 103.4 133.5 81.0 8.8 -13.2 28.8 22.0 23 23 A Y B < -B 20 0B 47 -3,-2.0 -4,-1.3 -6,-0.1 -3,-0.6 -0.831 52.2-133.9 -96.0 112.7 -10.4 28.2 19.6 24 24 A S >> - 0 0 45 -2,-0.7 3,-1.4 -5,-0.2 4,-1.1 -0.176 26.1-103.2 -60.5 156.9 -11.7 27.8 16.0 25 25 A L H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.812 118.8 62.6 -50.5 -39.2 -10.4 24.9 13.8 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.840 99.1 55.6 -59.2 -34.6 -8.2 27.3 11.8 27 27 A N H <> S+ 0 0 20 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.921 109.8 45.5 -61.5 -45.3 -6.2 28.1 15.0 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.881 114.3 47.5 -65.6 -41.6 -5.5 24.5 15.5 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 112.6 49.5 -66.7 -45.9 -4.5 23.9 11.9 30 30 A b H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.916 111.1 50.0 -56.9 -45.6 -2.3 26.9 11.8 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.940 111.7 47.9 -61.2 -45.4 -0.6 25.8 15.1 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-1.2 0.898 107.6 57.1 -63.6 -39.1 0.0 22.3 13.6 33 33 A K H X5S+ 0 0 64 -4,-2.5 4,-1.7 4,-0.2 -1,-0.2 0.947 115.9 33.7 -55.3 -50.1 1.4 23.8 10.4 34 34 A F H <5S+ 0 0 61 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.755 119.6 50.5 -85.1 -23.3 4.1 25.8 12.1 35 35 A E H <5S- 0 0 35 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.921 138.4 -6.6 -73.7 -44.4 4.8 23.4 14.9 36 36 A S H ><5S- 0 0 12 -4,-2.5 3,-1.4 19,-0.4 -3,-0.2 0.404 82.9-116.2-134.1 -2.8 5.2 20.2 12.8 37 37 A N T 3< - 0 0 44 4,-3.1 3,-2.1 -2,-0.4 -1,-0.0 -0.559 24.5-111.1 -89.3 156.5 14.8 21.8 23.6 47 47 A T T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.815 117.2 58.3 -56.1 -32.5 17.9 23.5 25.1 48 48 A D T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.414 123.1-102.5 -80.7 -1.3 16.8 22.3 28.6 49 49 A G S < S+ 0 0 22 -3,-2.1 -2,-0.1 1,-0.4 -1,-0.1 0.252 84.7 121.7 98.2 -10.9 16.9 18.7 27.5 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.311 52.6-139.2 -73.2 167.8 13.1 18.2 27.1 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.5 -3,-0.1 2,-0.4 -0.980 1.2-137.4-134.4 143.5 11.7 17.2 23.7 52 52 A D E -CD 44 59C 25 -8,-2.9 -8,-1.8 -2,-0.3 2,-0.4 -0.855 26.3-160.6-101.1 138.7 8.7 18.3 21.7 53 53 A Y E > -CD 43 58C 24 5,-2.0 5,-2.1 -2,-0.4 3,-0.4 -0.968 31.7 -16.4-130.8 133.4 6.6 15.5 20.0 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.6 -2,-0.4 30,-0.2 -0.149 98.9 -28.1 86.5-169.0 4.1 15.2 17.2 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.754 141.3 34.2 -60.9 -29.2 1.8 17.5 15.2 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.184 106.2-123.6-112.8 13.3 1.4 20.0 18.1 57 57 A Q T < 5 - 0 0 11 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.897 34.3-163.9 50.7 53.4 5.0 19.6 19.4 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.0 -6,-0.1 2,-0.3 -0.523 15.9-122.1 -77.5 134.1 3.9 18.7 23.0 59 59 A N E >> -D 52 0C 41 -2,-0.2 4,-2.2 -7,-0.2 3,-1.0 -0.612 7.2-146.2 -93.2 133.7 6.7 19.0 25.5 60 60 A S T 34 S+ 0 0 0 -9,-2.5 6,-0.2 -2,-0.3 13,-0.2 0.578 90.0 81.9 -68.8 -11.9 8.1 16.2 27.7 61 61 A R T 34 S- 0 0 57 -10,-0.2 12,-1.9 11,-0.2 -1,-0.2 0.869 119.8 -5.4 -60.7 -36.5 8.8 18.8 30.5 62 62 A W T <4 S+ 0 0 133 -3,-1.0 13,-2.7 10,-0.2 -2,-0.2 0.667 131.8 45.6-124.1 -33.0 5.2 18.7 31.6 63 63 A W S < S+ 0 0 29 -4,-2.2 13,-1.9 11,-0.3 15,-0.3 0.733 102.8 20.9-108.6 -27.0 2.9 16.6 29.4 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 11,-0.1 -0.944 68.1-111.6-142.1 160.4 4.3 13.2 28.4 65 65 A N B +e 79 0D 78 13,-2.7 15,-2.5 -2,-0.3 16,-0.4 -0.871 36.5 155.9 -98.7 124.5 6.9 10.7 29.6 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.332 52.4-125.0-119.2 1.8 10.0 10.0 27.5 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.482 95.6 74.4 71.9 4.1 12.3 8.7 30.3 68 68 A R + 0 0 115 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.036 65.2 91.6-139.0 27.0 15.0 11.3 29.6 69 69 A T S > S- 0 0 7 -9,-0.1 3,-1.9 -19,-0.0 -2,-0.1 -0.782 70.9-141.0-124.2 86.7 13.7 14.6 30.9 70 70 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.175 79.9 6.7 -52.6 132.0 14.8 15.0 34.5 71 71 A G T 3 S+ 0 0 84 1,-0.2 -10,-0.0 0, 0.0 0, 0.0 0.466 99.6 136.6 81.0 2.7 12.4 16.5 37.0 72 72 A S < - 0 0 30 -3,-1.9 2,-0.2 1,-0.1 -1,-0.2 -0.152 45.0-134.0 -77.4 170.8 9.6 16.5 34.4 73 73 A R - 0 0 145 -12,-1.9 -9,-0.4 -13,-0.2 -1,-0.1 -0.679 6.1-145.0-114.7 176.4 6.0 15.6 34.7 74 74 A N > + 0 0 48 -2,-0.2 3,-1.8 -11,-0.2 -11,-0.3 -0.524 30.8 161.2-139.5 64.9 3.6 13.4 32.6 75 75 A L T 3 S+ 0 0 60 -13,-2.7 -12,-0.2 1,-0.3 -11,-0.1 0.743 75.5 52.8 -69.2 -24.2 0.3 15.3 33.0 76 76 A d T 3 S- 0 0 10 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.488 104.7-132.6 -85.0 -4.6 -1.3 13.7 30.0 77 77 A N < + 0 0 132 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.905 64.6 113.5 53.4 51.5 -0.4 10.2 31.4 78 78 A I S S- 0 0 31 -15,-0.3 -13,-2.7 12,-0.0 2,-0.2 -0.988 74.2-103.5-144.5 151.8 1.1 9.0 28.1 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.586 35.9-124.3 -69.7 140.4 4.4 7.9 26.6 80 80 A c G > S+ 0 0 2 -15,-2.5 3,-1.8 1,-0.3 -14,-0.1 0.815 109.2 70.3 -57.4 -29.9 5.7 10.8 24.4 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.793 85.2 67.5 -56.4 -29.5 5.9 8.2 21.6 82 82 A A G X S+ 0 0 30 -3,-1.9 3,-0.9 1,-0.3 9,-0.3 0.749 90.6 64.0 -60.7 -25.1 2.0 8.1 21.5 83 83 A L G < S+ 0 0 1 -3,-1.8 -28,-0.5 -4,-0.4 -1,-0.3 0.461 95.8 58.8 -78.2 -2.0 2.2 11.6 20.2 84 84 A L G < S+ 0 0 41 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.433 80.0 120.1-105.8 -2.8 4.0 10.4 17.1 85 85 A S S < S- 0 0 51 -3,-0.9 6,-0.1 -4,-0.2 -3,-0.0 -0.172 72.9-125.8 -63.6 151.0 1.2 8.0 15.9 86 86 A S S S+ 0 0 75 2,-0.0 2,-0.6 -45,-0.0 -1,-0.1 0.787 101.8 78.2 -61.7 -26.7 -0.7 8.3 12.6 87 87 A D S S- 0 0 80 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.771 73.7-159.0 -83.6 118.5 -3.8 8.3 14.9 88 88 A I > + 0 0 4 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.430 62.4 104.7 -84.1 3.8 -4.0 11.9 16.4 89 89 A T H > S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 81.4 46.4 -52.0 -50.8 -6.2 10.9 19.4 90 90 A A H > S+ 0 0 22 -3,-0.5 4,-2.3 -8,-0.3 5,-0.2 0.928 114.3 47.6 -62.1 -44.4 -3.4 11.1 21.9 91 91 A S H > S+ 0 0 5 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.909 114.7 46.5 -59.9 -43.4 -2.1 14.5 20.6 92 92 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.947 112.6 48.7 -65.1 -48.4 -5.6 15.9 20.6 93 93 A N H X S+ 0 0 72 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.884 115.1 44.6 -60.1 -41.1 -6.5 14.7 24.0 94 94 A d H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.908 109.8 55.7 -70.8 -41.9 -3.3 16.1 25.5 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.867 102.7 57.2 -55.2 -38.5 -3.7 19.4 23.6 96 96 A K H X S+ 0 0 42 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.909 108.5 46.1 -60.4 -41.1 -7.1 19.7 25.2 97 97 A K H < S+ 0 0 95 -4,-1.2 3,-0.4 -3,-0.2 4,-0.2 0.928 113.4 49.7 -64.4 -43.1 -5.5 19.5 28.6 98 98 A I H >< S+ 0 0 7 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.940 109.6 49.1 -62.5 -49.6 -2.8 22.0 27.6 99 99 A V H 3< S+ 0 0 4 -4,-2.8 5,-0.4 1,-0.3 3,-0.4 0.675 109.8 53.7 -68.9 -15.9 -5.2 24.6 26.2 100 100 A S T 3< S+ 0 0 35 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.422 83.1 94.3 -89.7 -1.3 -7.2 24.4 29.4 101 101 A D S < S- 0 0 109 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.612 107.2 -90.0 -75.3 -15.8 -4.2 25.1 31.6 102 102 A G S S+ 0 0 63 -3,-0.4 -3,-0.1 -4,-0.2 -1,-0.1 -0.056 114.5 64.1 136.4 -37.9 -4.7 28.8 31.9 103 103 A N S > S- 0 0 123 1,-0.3 3,-1.7 -5,-0.3 -3,-0.1 0.276 84.0-148.6-104.2 12.4 -2.9 30.6 29.0 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.254 67.8 -15.5 57.3-140.1 -4.9 29.1 26.2 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.545 115.1 90.8 -78.9 -3.9 -3.1 28.6 23.0 106 106 A N G < + 0 0 48 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.698 68.5 79.8 -60.8 -16.6 -0.3 30.8 24.1 107 107 A A G < S+ 0 0 56 -3,-1.4 2,-1.0 1,-0.2 -1,-0.3 0.797 83.5 68.1 -57.3 -30.6 1.3 27.6 25.4 108 108 A W S X> S- 0 0 10 -3,-2.0 4,-2.2 1,-0.2 3,-0.6 -0.819 73.9-164.9 -91.2 100.8 2.3 27.0 21.8 109 109 A V H 3> S+ 0 0 77 -2,-1.0 4,-2.8 1,-0.3 5,-0.2 0.890 88.8 55.5 -56.2 -38.5 4.9 29.7 21.2 110 110 A A H 3> S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.839 106.8 51.4 -63.0 -36.2 4.6 29.2 17.4 111 111 A W H <>>S+ 0 0 10 -3,-0.6 5,-3.0 -6,-0.2 4,-2.3 0.953 111.6 46.3 -62.5 -49.1 0.8 29.8 17.6 112 112 A R H <5S+ 0 0 107 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.926 120.7 39.1 -57.6 -43.9 1.4 33.1 19.6 113 113 A N H <5S+ 0 0 105 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.743 132.9 17.7 -82.3 -23.7 4.1 34.2 17.1 114 114 A R H <5S+ 0 0 140 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.603 131.2 28.8-126.7 -15.9 2.6 33.1 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.4 5,-0.2 0.744 83.5 103.6-117.2 -44.1 -1.1 32.4 14.1 116 116 A K T 3 + 0 0 97 1,-0.2 3,-1.6 -3,-0.1 4,-0.2 -0.455 57.4 166.8 -75.7 71.8 -6.7 35.3 9.4 120 120 A V G > + 0 0 17 -2,-2.4 3,-1.7 1,-0.3 4,-0.3 0.705 62.3 75.6 -64.4 -20.3 -6.6 31.7 10.7 121 121 A Q G >> S+ 0 0 128 1,-0.3 3,-1.8 -3,-0.2 4,-0.6 0.794 79.3 74.2 -63.5 -24.3 -9.8 30.7 8.8 122 122 A A G X4 S+ 0 0 38 -3,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.792 85.3 66.6 -55.8 -27.0 -7.7 30.7 5.7 123 123 A W G <4 S+ 0 0 56 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.705 109.6 33.1 -71.2 -19.6 -6.3 27.4 7.0 124 124 A I G X4 S+ 0 0 32 -3,-1.8 3,-1.9 -4,-0.3 -1,-0.2 0.357 87.7 133.6-114.1 4.0 -9.7 25.6 6.6 125 125 A R T << S+ 0 0 134 -4,-0.6 3,-0.1 -3,-0.6 -3,-0.0 -0.298 77.5 8.4 -62.0 130.5 -10.8 27.5 3.5 126 126 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -120,-0.0 2,-0.3 0.286 95.7 135.0 84.5 -10.9 -12.2 25.2 0.9 127 127 A a < - 0 0 17 -3,-1.9 2,-0.8 1,-0.1 -1,-0.3 -0.532 59.6-126.4 -77.2 135.6 -12.2 22.1 3.1 128 128 A R 0 0 239 -2,-0.3 -1,-0.1 -3,-0.1 -118,-0.1 -0.717 360.0 360.0 -78.3 108.3 -15.1 19.8 3.3 129 129 A L 0 0 91 -2,-0.8 -119,-0.1 -5,-0.0 -123,-0.0 -0.931 360.0 360.0-124.9 360.0 -15.9 19.7 7.0