==== 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 06-OCT-00 1GDX . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR 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) . 6871.0 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 . 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 . 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 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 74 0, 0.0 39,-3.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 139.6 1.7 20.7 21.6 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.949 360.0-145.3-108.7 107.1 4.2 19.9 18.9 3 3 A F - 0 0 8 35,-2.7 2,-0.3 -2,-0.7 3,-0.0 -0.429 8.8-125.3 -70.7 149.6 7.0 22.5 19.1 4 4 A E > - 0 0 151 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.671 36.1-104.6 -87.4 154.9 8.8 23.8 16.0 5 5 A R H > S+ 0 0 94 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.916 115.1 34.5 -46.6 -65.5 12.6 23.5 16.3 6 6 A a H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.820 113.9 60.4 -65.4 -31.1 13.8 27.0 17.0 7 7 A E H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 109.6 43.1 -59.2 -47.6 10.6 27.8 19.0 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 -3,-0.2 5,-0.3 0.933 108.5 58.6 -66.1 -43.2 11.6 24.9 21.4 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.893 111.3 41.4 -54.5 -42.3 15.3 26.0 21.4 10 10 A R H X S+ 0 0 112 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.885 112.5 54.8 -74.0 -35.7 14.4 29.4 22.7 11 11 A T H X S+ 0 0 18 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.943 111.1 45.3 -62.0 -46.4 11.8 28.0 25.2 12 12 A L H <>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 6,-0.3 0.896 111.2 53.3 -65.7 -38.3 14.5 25.7 26.6 13 13 A K H ><5S+ 0 0 95 -4,-1.9 3,-1.6 -5,-0.3 5,-0.3 0.921 108.4 49.1 -63.1 -43.5 17.0 28.5 26.8 14 14 A R H 3<5S+ 0 0 179 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.0 58.6 -65.7 -28.4 14.6 30.7 28.8 15 15 A L T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.395 122.2-105.5 -82.5 4.6 13.9 27.8 31.1 16 16 A G T < 5S+ 0 0 39 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.709 81.2 128.2 82.1 23.9 17.6 27.6 32.0 17 17 A M > < + 0 0 0 -5,-2.2 3,-1.8 2,-0.1 2,-0.7 0.664 33.4 109.4 -85.5 -19.3 18.6 24.5 30.1 18 18 A D T 3 S- 0 0 78 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.456 104.6 -11.7 -65.6 105.6 21.6 25.9 28.2 19 19 A G T > S+ 0 0 39 4,-1.8 3,-2.4 -2,-0.7 -1,-0.3 0.550 88.7 166.5 82.5 8.0 24.6 24.2 29.8 20 20 A Y B X S-B 23 0B 58 -3,-1.8 3,-1.9 3,-0.6 -1,-0.3 -0.397 79.1 -6.8 -59.4 123.7 22.6 22.8 32.7 21 21 A A T 3 S- 0 0 68 1,-0.3 -1,-0.3 -2,-0.2 85,-0.2 0.848 134.7 -57.8 54.3 35.9 24.8 20.2 34.4 22 22 A G T < S+ 0 0 76 -3,-2.4 2,-0.6 1,-0.2 -1,-0.3 0.545 106.2 133.7 73.6 11.0 27.2 20.7 31.5 23 23 A I B < -B 20 0B 11 -3,-1.9 -4,-1.8 -6,-0.1 -3,-0.6 -0.833 49.7-136.3 -99.7 119.0 24.6 19.8 28.9 24 24 A S > - 0 0 44 -2,-0.6 4,-1.6 -5,-0.2 3,-0.3 -0.178 20.8-114.8 -68.4 160.6 24.3 22.1 25.9 25 25 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 116.4 60.4 -62.8 -37.9 21.0 23.2 24.4 26 26 A A H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 104.1 50.3 -59.6 -36.9 21.8 21.2 21.2 27 27 A N H > S+ 0 0 31 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.907 110.0 48.3 -67.3 -42.6 22.0 18.0 23.3 28 28 A W H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.896 112.8 50.3 -64.3 -38.4 18.6 18.7 24.9 29 29 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.911 109.4 49.7 -64.9 -44.7 17.2 19.5 21.5 30 30 A b H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.909 111.5 50.8 -62.5 -37.5 18.6 16.2 20.1 31 31 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.952 112.4 43.7 -64.7 -50.7 17.0 14.4 23.0 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 6,-1.3 0.892 112.5 54.4 -63.4 -39.5 13.5 15.9 22.6 33 33 A K H X5S+ 0 0 75 -4,-2.6 4,-1.4 4,-0.2 -2,-0.2 0.966 116.5 35.8 -59.5 -53.8 13.6 15.4 18.9 34 34 A W H <5S+ 0 0 91 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.818 119.6 49.7 -72.7 -30.8 14.4 11.7 19.1 35 35 A E H <5S- 0 0 43 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.957 138.3 -10.7 -73.1 -47.0 12.3 11.0 22.2 36 36 A S H ><5S- 0 0 20 -4,-2.6 3,-0.5 20,-0.5 -3,-0.2 0.444 83.5-109.6-134.7 -4.9 9.0 12.7 21.1 37 37 A G T 3<> -C 51 0C 42 5,-3.2 4,-1.6 -2,-0.4 5,-0.8 -0.885 9.8-170.2-108.1 99.1 6.1 -0.3 28.1 47 47 A A T 45S+ 0 0 77 -2,-0.8 -1,-0.2 1,-0.2 5,-0.0 0.817 80.6 63.1 -60.9 -29.6 4.2 -3.6 28.2 48 48 A G T 45S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.907 122.4 13.8 -63.6 -47.3 7.2 -5.4 29.6 49 49 A D T 45S- 0 0 64 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.315 99.2-120.3-114.9 8.9 7.5 -3.5 32.9 50 50 A R T <5 + 0 0 158 -4,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.746 69.6 127.9 60.6 29.5 4.1 -1.7 33.0 51 51 A S E < -C 46 0C 1 -5,-0.8 -5,-3.2 19,-0.1 2,-0.3 -0.684 47.3-143.7-107.5 168.7 5.6 1.8 33.0 52 52 A T E -C 45 0C 8 -7,-0.2 9,-2.5 -2,-0.2 2,-0.5 -0.981 7.1-137.7-135.8 140.0 4.8 4.7 30.7 53 53 A D E -CD 44 60C 27 -9,-2.9 -9,-1.6 -2,-0.3 2,-0.4 -0.883 28.1-153.8 -97.2 131.1 7.1 7.4 29.2 54 54 A Y E > -CD 43 59C 21 5,-2.3 5,-2.0 -2,-0.5 3,-0.4 -0.905 31.0 -27.6-119.3 137.4 5.5 10.9 29.3 55 55 A G T > 5S- 0 0 0 -13,-2.2 3,-1.2 -2,-0.4 -14,-0.2 -0.102 98.5 -24.1 76.4-164.4 5.9 14.1 27.3 56 56 A I T 3 5S+ 0 0 1 28,-0.3 -20,-0.5 1,-0.3 -18,-0.3 0.721 140.7 35.3 -62.3 -27.2 8.6 15.8 25.3 57 57 A F T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.378 104.6-126.4-108.2 3.0 11.5 14.1 27.1 58 58 A Q T < 5 - 0 0 17 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.933 34.7-167.4 48.8 58.6 9.6 10.8 27.5 59 59 A I E < -D 54 0C 3 -5,-2.0 -5,-2.3 25,-0.1 2,-0.2 -0.604 18.7-118.0 -81.0 126.3 10.2 10.7 31.3 60 60 A N E >> -D 53 0C 27 -2,-0.4 4,-2.4 -7,-0.2 3,-1.0 -0.475 6.2-144.2 -75.1 134.1 9.5 7.2 32.8 61 61 A S T 34 S+ 0 0 0 -9,-2.5 6,-0.2 -2,-0.2 9,-0.1 0.645 91.0 74.2 -67.0 -21.0 6.8 6.6 35.4 62 62 A R T 34 S+ 0 0 45 11,-0.2 12,-3.0 -10,-0.1 -1,-0.2 0.877 121.1 3.8 -63.0 -32.0 8.8 3.9 37.3 63 63 A Y T <4 S+ 0 0 130 -3,-1.0 13,-2.8 10,-0.2 -2,-0.2 0.748 129.1 42.2-124.0 -32.0 11.0 6.6 38.7 64 64 A W S < S+ 0 0 34 -4,-2.4 13,-2.1 11,-0.3 15,-0.4 0.795 107.3 16.5 -99.0 -33.0 10.1 10.2 37.9 65 65 A c S S- 0 0 0 -5,-0.5 2,-0.5 9,-0.3 15,-0.2 -0.928 70.6-111.9-138.8 163.5 6.5 10.9 38.1 66 66 A N B +e 80 0D 85 13,-2.4 15,-2.5 -2,-0.3 16,-0.4 -0.872 36.1 157.4-104.5 124.8 3.3 9.3 39.6 67 67 A D - 0 0 35 -2,-0.5 -1,-0.1 -6,-0.2 13,-0.1 0.207 51.7-127.1-120.7 7.5 0.6 7.9 37.4 68 68 A G S S+ 0 0 65 1,-0.1 -2,-0.1 -7,-0.1 12,-0.0 0.285 93.4 75.6 64.5 -6.7 -0.8 5.6 40.0 69 69 A K + 0 0 135 2,-0.1 -1,-0.1 3,-0.0 -3,-0.0 0.222 62.0 98.7-120.8 12.8 -0.6 2.5 37.8 70 70 A T S > S- 0 0 13 -9,-0.1 3,-1.8 4,-0.0 -19,-0.1 -0.924 79.9-114.8-103.9 116.2 3.1 1.5 37.7 71 71 A P T 3 S- 0 0 70 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.221 88.9 -12.3 -52.7 124.7 3.9 -1.3 40.1 72 72 A G T 3 S+ 0 0 81 1,-0.1 -3,-0.0 0, 0.0 2,-0.0 0.707 96.3 159.9 55.4 27.3 6.2 -0.3 43.0 73 73 A A < - 0 0 32 -3,-1.8 2,-0.2 1,-0.1 -10,-0.2 -0.260 29.0-145.4 -77.7 161.8 7.2 3.0 41.2 74 74 A V - 0 0 86 -12,-3.0 -9,-0.3 -13,-0.1 2,-0.1 -0.660 8.1-138.3-117.8 177.6 8.6 6.1 42.8 75 75 A N > + 0 0 44 -2,-0.2 3,-1.5 -11,-0.1 -11,-0.3 -0.555 28.0 165.1-141.3 69.0 8.1 9.8 42.0 76 76 A A T 3 S+ 0 0 24 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.784 81.0 49.9 -60.5 -29.9 11.5 11.6 42.2 77 77 A d T 3 S- 0 0 20 -13,-2.1 -1,-0.3 2,-0.1 -12,-0.1 0.578 102.6-136.3 -85.1 -6.7 10.2 14.7 40.4 78 78 A H < + 0 0 153 -3,-1.5 2,-0.3 -14,-0.2 -13,-0.1 0.919 62.4 117.8 50.2 53.5 7.3 14.8 42.8 79 79 A L S S- 0 0 40 -15,-0.4 -13,-2.4 16,-0.0 2,-0.3 -0.934 72.5-107.5-140.4 156.6 4.8 15.5 40.0 80 80 A S B > -e 66 0D 68 -2,-0.3 3,-1.8 -15,-0.2 4,-0.4 -0.668 37.9-117.5 -78.9 148.2 1.7 13.7 38.6 81 81 A c G > S+ 0 0 3 -15,-2.5 3,-1.4 -2,-0.3 -14,-0.1 0.739 113.6 72.7 -60.5 -18.5 2.7 12.3 35.2 82 82 A S G > S+ 0 0 77 -16,-0.4 3,-2.5 1,-0.3 -1,-0.3 0.851 83.8 66.6 -62.7 -32.5 -0.0 14.6 33.9 83 83 A A G X S+ 0 0 16 -3,-1.8 3,-0.7 1,-0.3 9,-0.3 0.761 96.6 56.8 -60.4 -22.0 2.3 17.6 34.6 84 84 A L G < S+ 0 0 4 -3,-1.4 -28,-0.3 -4,-0.4 -1,-0.3 0.322 99.5 58.8 -92.1 5.2 4.5 16.1 31.9 85 85 A L G < S+ 0 0 56 -3,-2.5 -1,-0.2 -30,-0.1 -2,-0.2 0.240 79.1 116.9-116.0 12.5 1.8 16.2 29.3 86 86 A Q S < S- 0 0 76 -3,-0.7 6,-0.1 2,-0.2 -3,-0.0 -0.489 70.9-128.5 -79.6 152.1 1.1 20.0 29.5 87 87 A D S S+ 0 0 100 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.820 100.5 74.4 -64.8 -36.7 1.7 22.4 26.5 88 88 A N S S- 0 0 100 1,-0.1 3,-0.4 -48,-0.0 4,-0.3 -0.771 73.0-162.6 -80.3 119.9 3.8 24.4 28.9 89 89 A I > + 0 0 5 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.390 57.9 107.0 -88.2 5.2 7.0 22.5 29.4 90 90 A A H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 85.7 43.0 -50.2 -48.5 8.3 24.2 32.6 91 91 A D H > S+ 0 0 61 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.897 112.8 51.9 -66.5 -41.2 7.5 21.2 34.8 92 92 A A H > S+ 0 0 6 -9,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.895 111.3 49.4 -60.9 -38.9 8.9 18.7 32.3 93 93 A V H X S+ 0 0 3 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.912 108.7 51.2 -67.1 -42.0 12.1 20.9 32.2 94 94 A A H X S+ 0 0 51 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.894 113.8 45.9 -62.6 -37.6 12.3 20.9 36.0 95 95 A d H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.869 109.3 53.3 -73.1 -37.4 12.0 17.1 36.0 96 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.876 108.2 52.0 -64.2 -36.0 14.5 16.7 33.2 97 97 A K H X S+ 0 0 40 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.919 109.3 49.7 -64.6 -42.5 17.0 18.8 35.3 98 98 A R H >< S+ 0 0 70 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.904 107.3 55.2 -62.4 -42.7 16.3 16.4 38.2 99 99 A V H >< S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.2 6,-0.3 0.919 108.3 47.6 -57.3 -48.4 16.9 13.4 35.9 100 100 A V H 3< S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.579 93.8 74.3 -73.4 -9.9 20.4 14.6 34.9 101 101 A R T << S+ 0 0 141 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.368 85.1 92.9 -79.6 4.4 21.4 15.4 38.5 102 102 A D S X S- 0 0 68 -3,-1.2 3,-1.6 3,-0.1 6,-0.1 -0.512 101.8 -86.3 -91.4 168.1 21.7 11.6 38.8 103 103 A P T 3 S+ 0 0 132 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.756 123.5 47.7 -41.2 -43.9 24.9 9.5 38.2 104 104 A Q T > S- 0 0 104 1,-0.2 3,-1.6 -5,-0.2 -4,-0.1 0.647 83.4-167.0 -78.6 -18.6 24.5 9.2 34.4 105 105 A G G X S- 0 0 18 -3,-1.6 3,-1.8 -6,-0.3 -1,-0.2 -0.407 73.6 -7.4 65.2-138.6 23.7 12.8 33.5 106 106 A I G > S+ 0 0 14 1,-0.3 3,-1.3 -85,-0.2 -1,-0.3 0.694 126.3 75.4 -63.9 -19.0 22.3 13.1 30.0 107 107 A R G < + 0 0 109 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.499 66.8 93.2 -71.7 -6.6 23.1 9.4 29.4 108 108 A A G < S+ 0 0 33 -3,-1.8 2,-0.7 1,-0.1 -1,-0.3 0.856 77.7 67.2 -54.7 -35.0 20.1 8.5 31.5 109 109 A W S X> S- 0 0 19 -3,-1.3 4,-1.5 1,-0.2 3,-0.9 -0.805 72.8-156.9 -92.3 115.5 18.1 8.4 28.2 110 110 A V H 3> S+ 0 0 79 -2,-0.7 4,-2.7 1,-0.3 -1,-0.2 0.857 93.4 60.7 -60.1 -34.4 19.2 5.5 26.0 111 111 A A H 3> S+ 0 0 23 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.837 100.8 54.5 -62.6 -32.2 17.9 7.3 22.9 112 112 A W H <>>S+ 0 0 15 -3,-0.9 5,-2.4 2,-0.2 4,-2.4 0.934 109.7 47.2 -65.8 -44.3 20.4 10.1 23.6 113 113 A R H <5S+ 0 0 95 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.927 117.4 44.5 -60.4 -42.5 23.2 7.5 23.7 114 114 A N H <5S+ 0 0 93 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.949 131.0 15.8 -67.4 -52.8 21.8 6.0 20.4 115 115 A R H <5S+ 0 0 117 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.474 133.3 30.1-107.9 -0.6 21.2 9.2 18.4 116 116 A b T ><5S+ 0 0 2 -4,-2.4 3,-1.8 -5,-0.3 -3,-0.2 0.664 82.6 101.9-125.7 -36.2 23.1 12.1 20.0 117 117 A Q T 3 + 0 0 20 -2,-1.1 3,-1.5 1,-0.2 4,-0.4 0.395 44.9 102.4 -97.4 3.1 24.3 18.0 17.1 122 122 A R G >> + 0 0 172 1,-0.3 3,-1.6 2,-0.2 4,-1.0 0.852 69.1 71.3 -52.3 -37.1 24.9 21.6 16.0 123 123 A Q G 34 S+ 0 0 127 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.799 85.3 66.6 -51.6 -33.4 22.1 21.3 13.5 124 124 A Y G <4 S+ 0 0 21 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.775 113.0 28.0 -64.4 -28.3 19.4 21.3 16.1 125 125 A V T X4 S+ 0 0 23 -3,-1.6 3,-2.0 -4,-0.4 5,-0.5 0.447 85.5 130.3-112.7 -0.5 20.1 24.9 17.2 126 126 A Q T 3< S+ 0 0 107 -4,-1.0 -120,-0.1 -3,-0.4 -3,-0.0 -0.309 82.5 4.0 -60.4 129.4 21.4 26.4 14.0 127 127 A G T 3 S+ 0 0 85 3,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.417 97.7 111.2 78.6 0.9 19.7 29.6 13.2 128 128 A a S < S- 0 0 1 -3,-2.0 -2,-0.1 2,-0.1 -1,-0.1 0.533 84.1-120.1 -84.8 -7.5 17.5 29.7 16.3 129 129 A G 0 0 78 -4,-0.3 -3,-0.1 1,-0.2 -1,-0.0 0.806 360.0 360.0 74.1 29.9 19.3 32.7 17.9 130 130 A V 0 0 65 -5,-0.5 -1,-0.2 -117,-0.0 -3,-0.1 -0.710 360.0 360.0-112.8 360.0 20.4 30.8 21.0