==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-SEP-12 4H9I . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.A.SUTTON,E.H.SNELL . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 28 21.7 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 84 0, 0.0 39,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 133.6 -2.2 10.4 18.9 2 2 A V B -A 39 0A 96 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.922 360.0-148.3-102.5 111.7 -2.2 13.8 20.7 3 3 A F - 0 0 12 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.460 10.5-120.4 -75.1 149.6 1.4 15.0 20.8 4 4 A G > - 0 0 35 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.503 33.4-109.1 -74.3 158.5 2.9 17.1 23.5 5 5 A R H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.956 118.0 36.2 -56.9 -56.9 4.3 20.4 22.3 6 6 A a H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.847 114.3 58.5 -66.1 -34.5 8.0 19.6 22.7 7 7 A E H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.914 109.1 44.5 -59.5 -43.6 7.4 16.0 21.6 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.906 110.0 54.9 -70.0 -41.7 6.0 17.3 18.3 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.934 110.1 47.4 -54.2 -46.7 8.8 19.8 17.8 10 10 A A H X S+ 0 0 44 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.900 112.2 48.7 -61.9 -42.7 11.3 16.9 18.2 11 11 A A H X S+ 0 0 19 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.902 111.2 50.2 -66.0 -41.9 9.4 14.7 15.8 12 12 A M H <>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 6,-0.4 0.920 112.4 47.0 -61.2 -43.2 9.2 17.5 13.2 13 13 A K H ><5S+ 0 0 82 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.920 107.3 56.9 -64.4 -43.1 12.9 18.2 13.6 14 14 A R H 3<5S+ 0 0 198 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.860 108.3 49.0 -52.6 -38.0 13.7 14.4 13.3 15 15 A H T 3<5S- 0 0 49 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.258 121.5-105.6 -93.9 11.9 11.8 14.5 9.9 16 16 A G T < 5S+ 0 0 31 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.670 82.9 124.1 81.3 19.5 13.7 17.5 8.6 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.2 -6,-0.1 2,-0.3 0.716 38.5 107.9 -84.1 -22.3 11.0 20.2 8.9 18 18 A D T 3 S- 0 0 61 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.440 102.4 -7.7 -63.5 119.6 13.0 22.5 11.0 19 19 A N T > S+ 0 0 105 4,-1.4 3,-2.2 -2,-0.3 -1,-0.3 0.592 91.0 164.0 63.8 17.1 13.9 25.5 8.8 20 20 A Y B X S-B 23 0B 71 -3,-2.2 3,-2.0 3,-0.6 -1,-0.2 -0.463 76.2 -2.9 -65.1 129.7 12.5 23.7 5.8 21 21 A R T 3 S- 0 0 160 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.762 135.5 -60.6 54.0 26.4 11.9 26.4 3.0 22 22 A G T < S+ 0 0 55 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.494 103.7 132.6 86.0 3.6 13.1 28.9 5.6 23 23 A Y B < -B 20 0B 48 -3,-2.0 -4,-1.4 -6,-0.1 -3,-0.6 -0.804 52.2-134.0 -96.1 112.9 10.4 28.2 8.1 24 24 A S >> - 0 0 46 -2,-0.7 3,-1.3 -5,-0.2 4,-1.1 -0.139 25.8-103.8 -60.1 158.6 11.7 27.8 11.6 25 25 A L H 3> S+ 0 0 12 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.833 118.8 61.7 -53.4 -39.2 10.4 24.9 13.8 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.836 99.1 56.9 -59.3 -32.8 8.2 27.3 15.9 27 27 A N H <> S+ 0 0 21 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.911 109.3 44.9 -60.8 -44.6 6.3 28.1 12.7 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.871 113.9 48.4 -69.2 -39.5 5.5 24.4 12.1 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 112.1 49.5 -68.0 -42.8 4.6 23.8 15.8 30 30 A b H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.921 110.4 50.7 -60.3 -44.0 2.3 26.9 15.9 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 111.4 47.5 -59.8 -46.9 0.6 25.8 12.7 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-1.2 0.881 107.7 57.5 -63.2 -37.9 -0.0 22.3 14.1 33 33 A K H X5S+ 0 0 64 -4,-2.4 4,-1.6 4,-0.2 -1,-0.2 0.952 115.4 34.5 -55.7 -50.7 -1.4 23.8 17.3 34 34 A F H <5S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.757 119.7 49.7 -84.7 -21.8 -4.0 25.8 15.6 35 35 A E H <5S- 0 0 39 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.909 138.2 -6.1 -76.1 -44.3 -4.8 23.3 12.8 36 36 A S H ><5S- 0 0 12 -4,-2.5 3,-1.4 19,-0.4 -3,-0.2 0.411 82.8-116.5-134.0 -1.9 -5.2 20.2 15.0 37 37 A N T 3< - 0 0 49 4,-3.1 3,-1.9 -2,-0.3 -1,-0.0 -0.663 24.5-110.8-100.1 161.2 -14.8 21.9 4.2 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.817 117.0 58.7 -59.0 -33.3 -17.7 23.7 2.5 48 48 A D T 3 S- 0 0 82 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.518 122.0-105.0 -77.0 -4.1 -16.5 22.5 -1.0 49 49 A G S < S+ 0 0 20 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.272 84.0 121.0 97.9 -12.1 -16.8 18.9 0.2 50 50 A S - 0 0 2 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.286 53.3-137.4 -71.4 170.6 -13.1 18.3 0.6 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.7 -3,-0.1 2,-0.4 -0.975 1.0-136.9-134.3 145.2 -11.7 17.2 4.0 52 52 A D E -CD 44 59C 25 -8,-2.7 -8,-1.8 -2,-0.3 2,-0.4 -0.873 26.5-160.9-101.7 138.7 -8.6 18.3 6.0 53 53 A Y E > -CD 43 58C 23 5,-2.1 5,-2.0 -2,-0.4 3,-0.4 -0.961 31.4 -14.6-129.9 134.1 -6.6 15.5 7.7 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.7 -2,-0.4 30,-0.2 -0.184 98.4 -29.5 87.1-171.4 -4.1 15.2 10.4 55 55 A I T 3 5S+ 0 0 0 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.744 141.5 34.5 -61.4 -27.7 -1.8 17.3 12.5 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.184 106.1-124.0-112.3 13.5 -1.4 19.9 9.7 57 57 A Q T < 5 - 0 0 11 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.890 34.7-165.3 49.1 53.8 -4.9 19.6 8.3 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-2.1 -6,-0.1 2,-0.3 -0.549 16.2-121.7 -76.8 135.6 -3.8 18.7 4.8 59 59 A N E >> -D 52 0C 30 -2,-0.3 4,-2.3 -7,-0.2 3,-1.2 -0.620 7.6-146.0 -98.6 132.7 -6.6 19.0 2.3 60 60 A S T 34 S+ 0 0 0 -9,-2.7 6,-0.2 -2,-0.3 13,-0.2 0.524 89.7 79.6 -69.6 -9.2 -8.0 16.3 -0.1 61 61 A R T 34 S- 0 0 56 -10,-0.2 12,-2.3 11,-0.2 -1,-0.3 0.895 120.7 -2.7 -65.1 -35.2 -8.8 18.9 -2.9 62 62 A W T <4 S+ 0 0 131 -3,-1.2 13,-2.7 10,-0.2 -2,-0.2 0.712 131.5 44.2-120.5 -34.5 -5.1 18.8 -3.8 63 63 A W S < S+ 0 0 25 -4,-2.3 13,-1.9 11,-0.3 15,-0.3 0.724 104.1 19.0-108.3 -25.3 -2.9 16.7 -1.7 64 64 A c - 0 0 0 -5,-0.4 2,-0.5 9,-0.4 11,-0.1 -0.950 67.9-109.6-145.1 162.8 -4.3 13.3 -0.8 65 65 A N B +e 79 0D 79 13,-2.6 15,-2.4 -2,-0.3 16,-0.4 -0.868 36.1 155.5-100.8 125.2 -6.9 10.8 -1.9 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 -6,-0.2 8,-0.0 0.331 52.6-124.1-119.9 2.5 -10.0 10.1 0.1 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.491 95.9 73.4 71.7 4.3 -12.3 8.8 -2.7 68 68 A R + 0 0 117 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.067 64.6 91.6-141.9 28.0 -15.0 11.4 -2.0 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.7 -19,-0.0 -2,-0.1 -0.789 71.3-140.5-122.3 86.7 -13.7 14.7 -3.2 70 70 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.176 80.1 8.1 -55.1 132.3 -14.9 15.1 -6.9 71 71 A G T 3 S+ 0 0 82 1,-0.2 2,-0.1 0, 0.0 -10,-0.0 0.583 99.2 137.2 80.8 11.5 -12.4 16.6 -9.3 72 72 A S < - 0 0 31 -3,-1.7 2,-0.2 1,-0.1 -1,-0.2 -0.288 44.9-133.1 -88.2 171.4 -9.6 16.6 -6.8 73 73 A R - 0 0 144 -12,-2.3 -9,-0.4 -13,-0.2 3,-0.1 -0.685 5.3-146.7-113.9 173.8 -5.9 15.6 -7.1 74 74 A N > + 0 0 50 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.564 30.1 162.1-137.4 67.9 -3.6 13.5 -4.9 75 75 A L T 3 S+ 0 0 54 -13,-2.7 -12,-0.2 1,-0.3 -11,-0.1 0.741 75.3 52.2 -72.2 -22.5 -0.3 15.3 -5.4 76 76 A d T 3 S- 0 0 17 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.490 105.0-131.9 -87.1 -3.8 1.3 13.7 -2.3 77 77 A N < + 0 0 132 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.909 64.6 114.3 55.6 49.9 0.4 10.3 -3.7 78 78 A I S S- 0 0 29 -15,-0.3 -13,-2.6 12,-0.0 2,-0.2 -0.986 73.3-104.5-143.3 151.5 -1.1 9.0 -0.4 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.585 36.2-123.5 -69.5 141.7 -4.4 8.0 1.0 80 80 A c G > S+ 0 0 2 -15,-2.4 3,-1.9 1,-0.3 -14,-0.1 0.819 109.2 70.0 -58.1 -29.4 -5.7 10.8 3.3 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-2.1 1,-0.3 4,-0.3 0.810 84.8 68.0 -58.4 -29.9 -5.9 8.2 6.1 82 82 A A G X S+ 0 0 29 -3,-1.7 3,-0.8 1,-0.3 9,-0.3 0.744 90.5 63.9 -60.0 -23.1 -2.1 8.1 6.1 83 83 A L G < S+ 0 0 1 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.433 95.4 59.7 -80.2 -0.6 -2.2 11.6 7.4 84 84 A L G < S+ 0 0 42 -3,-2.1 -1,-0.2 -30,-0.2 -2,-0.2 0.445 79.2 119.4-105.9 -2.4 -3.9 10.4 10.6 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.158 73.3-124.5 -63.8 152.6 -1.2 8.0 11.8 86 86 A S S S+ 0 0 74 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.776 102.0 76.6 -65.0 -24.2 0.6 8.3 15.1 87 87 A D S S- 0 0 90 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.806 74.5-157.5 -87.3 119.6 3.8 8.4 12.9 88 88 A I > + 0 0 5 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.391 61.8 107.2 -85.2 6.8 4.0 11.9 11.3 89 89 A T H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.906 80.2 45.5 -51.6 -51.2 6.2 10.9 8.4 90 90 A A H > S+ 0 0 23 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.909 113.9 49.4 -63.5 -41.9 3.4 11.1 5.7 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.911 113.1 47.2 -61.8 -43.0 2.2 14.4 7.1 92 92 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.936 112.0 48.6 -65.3 -46.5 5.7 15.9 7.1 93 93 A N H X S+ 0 0 84 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.893 114.7 45.9 -62.4 -38.1 6.6 14.7 3.6 94 94 A d H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.3 3,-0.4 0.923 108.8 55.2 -70.1 -42.5 3.4 16.1 2.2 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.856 102.7 58.1 -56.2 -37.3 3.8 19.4 4.1 96 96 A K H X S+ 0 0 43 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.902 108.7 44.9 -60.7 -40.0 7.2 19.7 2.4 97 97 A K H >< S+ 0 0 99 -4,-1.2 3,-0.5 -3,-0.4 4,-0.3 0.935 113.6 50.0 -67.0 -45.0 5.5 19.5 -1.0 98 98 A I H >< S+ 0 0 7 -4,-2.5 3,-1.7 1,-0.2 5,-0.3 0.925 109.6 49.2 -60.5 -47.6 2.8 21.9 0.0 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.4 1,-0.3 3,-0.4 0.675 109.8 53.7 -71.0 -15.2 5.1 24.6 1.4 100 100 A S T << S+ 0 0 34 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.410 82.9 93.9 -91.9 0.5 7.2 24.4 -1.7 101 101 A D S < S- 0 0 110 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.565 108.5 -85.9 -78.6 -11.2 4.2 25.0 -4.0 102 102 A G S S+ 0 0 64 -3,-0.4 -3,-0.1 -4,-0.2 -1,-0.1 -0.052 115.7 62.8 139.1 -37.0 4.6 28.8 -4.3 103 103 A N S > S- 0 0 124 1,-0.3 3,-1.8 -5,-0.3 4,-0.1 0.224 83.1-146.7-107.7 15.2 2.9 30.6 -1.3 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.234 69.9 -15.9 56.7-141.0 5.0 29.1 1.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 7,-0.3 0.557 115.5 90.6 -78.0 -4.3 3.2 28.6 4.7 106 106 A N G < + 0 0 49 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.703 68.2 80.7 -60.5 -15.8 0.3 30.8 3.6 107 107 A A G < S+ 0 0 54 -3,-1.4 2,-0.9 1,-0.2 -1,-0.3 0.800 83.7 66.1 -56.9 -30.0 -1.1 27.6 2.3 108 108 A W S X> S- 0 0 9 -3,-2.1 4,-2.2 1,-0.2 3,-0.8 -0.841 74.6-164.7 -94.4 100.7 -2.2 27.0 5.9 109 109 A V H 3> S+ 0 0 80 -2,-0.9 4,-2.6 1,-0.3 5,-0.2 0.885 89.5 56.7 -54.7 -37.7 -4.8 29.8 6.4 110 110 A A H 3> S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.831 104.6 51.0 -61.1 -38.6 -4.5 29.2 10.1 111 111 A W H <>>S+ 0 0 12 -3,-0.8 5,-3.0 -6,-0.3 4,-2.4 0.949 112.0 47.5 -63.3 -47.8 -0.8 29.8 10.0 112 112 A R H <5S+ 0 0 111 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.916 119.4 39.1 -58.9 -42.0 -1.4 33.1 8.1 113 113 A N H <5S+ 0 0 106 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.736 132.8 18.0 -83.4 -23.8 -4.1 34.2 10.5 114 114 A R H <5S+ 0 0 141 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.584 131.5 28.0-126.5 -15.7 -2.6 33.1 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.4 5,-0.2 0.724 84.6 102.0-117.7 -44.1 1.1 32.4 13.5 116 116 A K T 3 + 0 0 95 1,-0.2 3,-1.7 -2,-0.1 4,-0.2 -0.475 55.6 168.5 -76.3 73.7 6.7 35.2 18.3 120 120 A V G > + 0 0 16 -2,-2.3 3,-2.0 1,-0.3 4,-0.3 0.734 62.7 76.0 -66.2 -20.3 6.7 31.7 17.0 121 121 A Q G >> S+ 0 0 87 1,-0.3 3,-1.8 2,-0.2 4,-0.7 0.789 78.9 75.0 -61.9 -24.2 9.8 30.7 18.9 122 122 A A G X4 S+ 0 0 38 -3,-1.7 3,-0.6 1,-0.3 -1,-0.3 0.825 85.1 65.6 -54.1 -29.6 7.6 30.6 22.0 123 123 A W G <4 S+ 0 0 55 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.715 111.0 32.1 -70.6 -20.0 6.3 27.3 20.6 124 124 A I G X4 S+ 0 0 33 -3,-1.8 3,-1.9 -4,-0.3 -1,-0.2 0.314 87.5 132.6-115.3 6.0 9.6 25.5 21.0 125 125 A R T << S+ 0 0 119 -4,-0.7 3,-0.1 -3,-0.6 -119,-0.1 -0.350 77.6 11.5 -62.3 130.9 10.8 27.5 24.1 126 126 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.267 94.8 135.5 87.5 -12.0 12.2 25.1 26.8 127 127 A a < - 0 0 18 -3,-1.9 2,-0.9 1,-0.1 -1,-0.3 -0.514 59.1-129.6 -76.6 132.8 12.2 22.1 24.5 128 128 A R 0 0 245 -2,-0.3 -1,-0.1 -3,-0.1 -118,-0.1 -0.723 360.0 360.0 -77.0 109.9 15.3 19.9 24.5 129 129 A L 0 0 90 -2,-0.9 -119,-0.1 -5,-0.0 -3,-0.0 -0.929 360.0 360.0-132.3 360.0 15.9 19.8 20.7