==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-APR-02 1GXV . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.REFAEE,K.AKASAKA,M.WILLIAMSON . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 65.1 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 . 18 14.0 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 . 6 4.7 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 2 K 0 0 71 0, 0.0 39,-3.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.7 2.8 9.7 10.3 2 2 2 V B -A 39 0A 82 37,-0.2 2,-0.5 38,-0.1 37,-0.2 -0.872 360.0-151.5-118.2 151.8 1.8 12.9 8.3 3 3 2 F - 0 0 11 35,-2.9 84,-0.0 -2,-0.3 0, 0.0 -0.951 9.1-147.0-127.8 119.5 -1.6 14.7 8.2 4 4 2 G > - 0 0 36 -2,-0.5 4,-3.6 1,-0.1 5,-0.4 -0.211 35.2 -97.5 -74.4 170.1 -2.8 16.7 5.2 5 5 2 R H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.963 125.2 33.6 -54.4 -56.6 -5.0 19.9 5.5 6 6 2 a H > S+ 0 0 59 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.912 118.9 53.1 -72.6 -34.9 -8.3 18.0 4.9 7 7 2 E H > S+ 0 0 88 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.988 114.9 41.8 -60.5 -51.6 -7.1 14.8 6.6 8 8 2 L H X S+ 0 0 0 -4,-3.6 4,-3.9 2,-0.2 5,-0.3 0.924 114.2 52.2 -60.5 -43.9 -6.2 16.9 9.7 9 9 2 A H X S+ 0 0 2 -4,-2.8 4,-1.8 -5,-0.4 -1,-0.2 0.957 113.2 44.6 -59.6 -46.0 -9.4 18.9 9.3 10 10 2 A H X S+ 0 0 51 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.963 116.9 45.5 -62.2 -49.0 -11.5 15.7 9.2 11 11 2 A H X S+ 0 0 11 -4,-3.1 4,-2.0 -5,-0.3 5,-0.2 0.963 111.7 51.2 -60.1 -50.4 -9.5 14.2 12.1 12 12 2 M H X>S+ 0 0 2 -4,-3.9 5,-3.4 -5,-0.2 6,-0.7 0.855 112.6 48.5 -57.1 -31.6 -9.7 17.4 14.1 13 13 2 K H ><5S+ 0 0 68 -4,-1.8 3,-1.0 -5,-0.3 -2,-0.2 0.953 108.1 51.2 -74.6 -48.2 -13.5 17.3 13.5 14 14 2 R H 3<5S+ 0 0 150 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.832 114.2 47.1 -57.3 -29.2 -13.9 13.6 14.5 15 15 2 H H 3<5S- 0 0 23 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.668 115.1-119.5 -85.7 -18.3 -12.0 14.6 17.7 16 16 2 G T <<5S+ 0 0 35 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.937 72.6 131.0 79.4 46.5 -14.2 17.7 18.3 17 17 2 L > < + 0 0 0 -5,-3.4 3,-2.5 -8,-0.2 2,-0.4 0.691 34.9 102.4-102.4 -26.1 -11.3 20.2 18.0 18 18 2 D T 3 S- 0 0 45 -6,-0.7 6,-0.3 1,-0.3 3,-0.1 -0.420 109.7 -8.1 -61.8 114.9 -12.8 22.6 15.6 19 19 2 N T > S+ 0 0 94 4,-1.2 3,-3.0 -2,-0.4 5,-0.3 0.669 91.9 171.4 71.3 13.9 -14.0 25.5 17.7 20 20 2 Y B X S-B 23 0B 61 -3,-2.5 3,-2.9 3,-1.1 -1,-0.2 -0.387 81.7 -15.9 -58.5 116.8 -13.1 23.4 20.8 21 21 2 R T 3 S- 0 0 127 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.744 134.3 -54.1 56.5 17.3 -13.4 25.9 23.6 22 22 2 G T < S+ 0 0 57 -3,-3.0 2,-1.6 1,-0.2 -1,-0.3 0.138 106.1 132.8 103.2 -20.2 -13.3 28.4 20.7 23 23 2 Y B < -B 20 0B 31 -3,-2.9 -4,-1.2 -4,-0.2 -3,-1.1 -0.434 44.9-159.3 -67.0 90.9 -10.0 27.1 19.2 24 24 2 S >> - 0 0 21 -2,-1.6 4,-1.8 -5,-0.3 3,-1.4 -0.263 33.1-102.1 -68.2 159.8 -11.1 26.9 15.6 25 25 2 L H 3> S+ 0 0 2 1,-0.3 4,-4.2 2,-0.2 5,-0.4 0.849 121.7 68.1 -51.5 -33.0 -9.2 24.5 13.2 26 26 2 G H 3> S+ 0 0 0 94,-0.2 4,-2.2 1,-0.2 5,-0.3 0.915 103.0 43.5 -55.9 -40.6 -7.5 27.8 11.9 27 27 2 N H <> S+ 0 0 23 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.953 117.6 45.3 -69.3 -47.9 -5.7 28.1 15.3 28 28 2 W H X S+ 0 0 3 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.961 118.0 42.0 -61.1 -53.8 -4.9 24.4 15.4 29 29 2 V H X S+ 0 0 2 -4,-4.2 4,-4.2 2,-0.2 5,-0.2 0.975 114.5 50.5 -61.5 -52.4 -3.6 24.2 11.8 30 30 2 b H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.4 5,-0.3 0.956 116.5 42.9 -49.6 -51.6 -1.7 27.5 11.9 31 31 2 A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 6,-0.2 0.980 118.8 42.6 -58.8 -58.1 -0.0 26.3 15.1 32 32 2 A H X>S+ 0 0 1 -4,-3.3 5,-2.7 -5,-0.2 4,-2.3 0.891 107.8 64.8 -57.7 -40.0 0.6 22.8 13.8 33 33 2 K H X5S+ 0 0 72 -4,-4.2 4,-0.5 -5,-0.3 -2,-0.2 0.966 115.1 24.5 -49.5 -68.9 1.7 24.1 10.4 34 34 2 F H <5S+ 0 0 89 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.738 124.0 56.8 -74.0 -19.5 4.9 26.0 11.6 35 35 2 E H <5S- 0 0 31 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.985 140.4 -21.1 -75.8 -60.8 5.3 23.8 14.7 36 36 2 S H <5S- 0 0 9 -4,-2.3 -3,-0.2 -5,-0.2 6,-0.2 0.382 81.5-118.9-128.5 -2.1 5.5 20.3 13.0 37 37 2 N S <> -C 50 0C 38 4,-2.3 4,-1.1 -2,-0.4 3,-0.8 -0.918 15.9-140.6-117.9 142.0 14.7 22.6 24.8 47 47 2 T T 34 S+ 0 0 148 -2,-0.4 -1,-0.1 1,-0.2 4,-0.0 0.920 94.5 75.6 -67.8 -42.7 17.9 23.8 26.5 48 48 2 D T 34 S- 0 0 83 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.811 127.5 -87.6 -39.8 -30.8 16.4 23.7 30.0 49 49 2 G T <4 S+ 0 0 20 -3,-0.8 2,-0.3 1,-0.2 -2,-0.2 0.642 94.2 100.7 122.8 40.5 16.8 19.9 29.7 50 50 2 S E < -C 46 0C 1 -4,-1.1 -4,-2.3 19,-0.1 2,-0.3 -0.834 50.8-145.5-141.4 178.9 13.6 18.8 28.1 51 51 2 T E -C 45 0C 6 -2,-0.3 9,-2.6 -6,-0.2 2,-0.5 -0.997 12.3-132.6-149.9 150.0 12.2 17.7 24.7 52 52 2 D E +CD 44 59C 16 -8,-1.6 -8,-2.0 -2,-0.3 2,-0.3 -0.910 24.2 175.0-111.6 132.6 8.9 18.1 22.9 53 53 2 Y E > + D 0 58C 18 5,-2.0 5,-0.8 -2,-0.5 -10,-0.1 -0.927 35.3 70.4-128.7 154.7 7.1 15.3 21.1 54 54 2 G T > 5S- 0 0 0 -2,-0.3 3,-3.5 3,-0.2 30,-0.2 0.005 87.6 -85.2 113.3 138.9 3.6 15.2 19.4 55 55 2 I T 3 5S+ 0 0 2 28,-1.1 -16,-0.3 1,-0.3 -17,-0.3 0.876 133.2 41.7 -42.1 -47.8 2.3 16.7 16.1 56 56 2 L T 3 5S- 0 0 9 27,-0.1 -1,-0.3 -21,-0.1 -2,-0.1 0.367 121.9-111.3 -85.3 8.3 1.5 20.0 18.0 57 57 2 Q T < 5 - 0 0 7 -3,-3.5 2,-0.4 1,-0.1 -3,-0.2 0.799 36.5-163.8 64.7 112.5 4.8 19.8 19.9 58 58 2 I E < -D 53 0C 3 -5,-0.8 -5,-2.0 -4,-0.1 -1,-0.1 -0.963 18.3-126.5-132.9 114.9 4.4 19.0 23.7 59 59 2 N E >> -D 52 0C 11 -2,-0.4 5,-3.0 -7,-0.3 4,-1.1 -0.337 10.5-139.5 -61.7 138.5 7.3 19.6 26.1 60 60 2 S T 45S+ 0 0 0 -9,-2.6 6,-0.3 3,-0.2 7,-0.2 0.160 96.2 56.2 -85.0 19.9 8.2 16.6 28.2 61 61 2 R T 45S+ 0 0 35 11,-0.2 12,-2.2 4,-0.1 13,-1.0 0.679 124.4 10.1-119.0 -36.2 8.8 18.8 31.3 62 62 2 W T 45S+ 0 0 147 11,-0.2 13,-0.7 -3,-0.1 -2,-0.1 0.640 138.8 30.5-117.4 -28.5 5.5 20.7 31.8 63 63 2 W T <5S- 0 0 32 -4,-1.1 13,-1.9 1,-0.2 15,-0.3 0.885 125.6 -14.2 -98.0 -56.5 3.1 19.0 29.3 64 64 2 c < - 0 0 0 -5,-3.0 2,-0.3 10,-0.2 10,-0.3 -0.669 59.5-125.9-134.1-168.4 4.2 15.3 29.1 65 65 2 N B -e 79 0D 43 13,-1.3 15,-4.0 -2,-0.2 16,-0.3 -0.982 11.0-170.5-144.1 154.0 7.1 13.0 29.9 66 66 2 D - 0 0 33 -6,-0.3 -1,-0.1 -2,-0.3 -5,-0.0 0.502 49.5-111.5-121.2 -12.8 9.3 10.5 27.9 67 67 2 G S S+ 0 0 74 -7,-0.2 -2,-0.0 2,-0.1 5,-0.0 0.409 109.5 65.2 94.7 -3.0 11.2 8.8 30.7 68 68 2 R + 0 0 136 -8,-0.1 -3,-0.0 2,-0.0 -8,-0.0 0.554 63.6 115.2-122.4 -21.5 14.5 10.4 29.6 69 69 2 T S S- 0 0 12 1,-0.2 2,-2.5 -9,-0.1 3,-0.2 -0.344 78.6-116.8 -54.8 119.2 13.9 14.1 30.3 70 70 2 P S S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.292 91.7 -14.3 -59.5 75.2 16.4 15.0 33.1 71 71 2 G S S+ 0 0 54 -2,-2.5 2,-0.3 1,-0.1 -3,-0.0 0.733 81.9 178.3 92.4 100.2 13.7 15.9 35.7 72 72 2 S - 0 0 32 -3,-0.2 -11,-0.2 1,-0.1 -10,-0.1 -0.966 23.7-161.7-134.2 149.9 10.1 16.4 34.3 73 73 2 R - 0 0 196 -12,-2.2 -11,-0.2 -2,-0.3 -1,-0.1 0.891 23.8-152.5 -96.3 -53.9 6.8 17.1 36.0 74 74 2 N - 0 0 35 -13,-1.0 -11,-0.2 -10,-0.3 -10,-0.2 0.825 17.5-175.1 78.9 103.6 4.1 16.1 33.5 75 75 2 L S S+ 0 0 100 -13,-0.7 -12,-0.2 -12,-0.3 -11,-0.2 0.514 83.9 56.1-104.7 -8.9 0.8 18.0 33.7 76 76 2 d S S- 0 0 0 -13,-1.9 -12,-0.1 2,-0.2 -1,-0.1 0.582 95.0-138.6 -97.1 -11.0 -1.0 15.9 31.1 77 77 2 N + 0 0 142 -14,-0.3 -13,-0.1 1,-0.2 -3,-0.1 0.930 65.5 116.2 54.3 43.3 -0.3 12.6 32.9 78 78 2 I S S- 0 0 42 -15,-0.3 -13,-1.3 16,-0.0 2,-0.4 -0.997 73.2-105.8-143.3 147.5 0.5 11.1 29.4 79 79 2 P B >> -e 65 0D 76 0, 0.0 3,-0.6 0, 0.0 4,-0.6 -0.561 23.5-140.8 -74.3 126.0 3.6 9.6 27.8 80 80 2 c G >4 S+ 0 0 0 -15,-4.0 3,-3.0 -2,-0.4 4,-0.3 0.943 99.3 61.0 -53.6 -51.5 5.2 11.9 25.2 81 81 2 S G >4 S+ 0 0 75 -16,-0.3 3,-2.5 1,-0.3 -1,-0.2 0.883 95.3 63.6 -45.1 -41.2 6.1 9.1 22.7 82 82 2 A G X4 S+ 0 0 41 -3,-0.6 3,-1.4 1,-0.3 -1,-0.3 0.783 87.5 71.2 -58.3 -22.4 2.3 8.4 22.5 83 83 2 L G << S+ 0 0 3 -3,-3.0 -28,-1.1 -4,-0.6 -1,-0.3 0.620 90.2 62.1 -70.6 -7.7 1.9 11.8 21.0 84 84 2 L G < S+ 0 0 49 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.156 75.6 135.8-102.5 19.5 3.6 10.4 17.9 85 85 2 S S < S- 0 0 47 -3,-1.4 6,-0.1 2,-0.2 -3,-0.0 -0.148 73.5-107.0 -61.6 163.9 0.8 7.8 17.1 86 86 2 S S S+ 0 0 84 2,-0.1 2,-0.4 1,-0.0 -1,-0.1 0.636 108.4 63.2 -68.2 -9.2 -0.4 7.4 13.6 87 87 2 D S > S- 0 0 40 1,-0.1 3,-1.6 -47,-0.1 4,-0.4 -0.957 79.5-139.6-119.6 131.8 -3.6 9.2 14.8 88 88 2 I T 3> S+ 0 0 2 -2,-0.4 4,-3.6 1,-0.3 5,-0.4 0.672 88.9 95.4 -60.4 -10.7 -3.7 12.8 16.1 89 89 2 T H 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.896 79.0 54.0 -49.1 -41.8 -6.1 11.3 18.6 90 90 2 A H <> S+ 0 0 24 -3,-1.6 4,-2.1 2,-0.2 5,-0.2 0.991 116.8 33.9 -58.5 -61.5 -3.2 10.9 21.1 91 91 2 S H > S+ 0 0 2 -4,-0.4 4,-4.1 -8,-0.3 5,-0.3 0.944 117.4 54.5 -61.2 -47.1 -2.1 14.5 20.9 92 92 2 V H X S+ 0 0 4 -4,-3.6 4,-3.6 1,-0.2 5,-0.2 0.914 107.6 51.9 -56.1 -39.7 -5.6 15.9 20.5 93 93 2 N H X S+ 0 0 92 -4,-2.5 4,-0.9 -5,-0.4 -1,-0.2 0.965 116.0 38.9 -62.4 -49.0 -6.6 14.0 23.7 94 94 2 d H X S+ 0 0 0 -4,-2.1 4,-4.1 -5,-0.2 3,-0.4 0.932 117.6 51.1 -67.4 -41.2 -3.7 15.5 25.7 95 95 2 A H X S+ 0 0 10 -4,-4.1 4,-3.7 1,-0.2 -2,-0.2 0.964 106.7 52.8 -59.9 -50.1 -4.3 18.9 24.0 96 96 2 K H < S+ 0 0 33 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.776 117.3 41.0 -58.2 -21.6 -8.0 18.8 24.8 97 97 2 K H < S+ 0 0 100 -4,-0.9 3,-0.4 -3,-0.4 -2,-0.2 0.887 115.7 46.9 -91.5 -48.3 -6.9 18.2 28.4 98 98 2 I H >< S+ 0 0 8 -4,-4.1 2,-3.7 1,-0.3 3,-1.5 0.928 98.7 70.8 -59.8 -43.9 -3.9 20.7 28.5 99 99 2 V T 3< S+ 0 0 11 -4,-3.7 -1,-0.3 -5,-0.3 6,-0.1 -0.031 93.2 62.6 -67.2 45.7 -6.1 23.4 26.8 100 100 2 S T 3 S+ 0 0 68 -2,-3.7 -1,-0.3 -3,-0.4 -2,-0.1 0.158 73.6 88.3-154.7 19.6 -7.9 23.6 30.2 101 101 2 D S < S- 0 0 75 -3,-1.5 -2,-0.1 3,-0.0 -3,-0.1 0.909 103.8 -96.7 -87.1 -52.3 -5.3 24.7 32.7 102 102 2 G S S+ 0 0 70 -4,-0.3 -3,-0.1 0, 0.0 -4,-0.0 -0.030 116.8 61.6 157.5 -33.1 -5.6 28.5 32.3 103 103 2 N S > S+ 0 0 100 1,-0.2 3,-2.4 -5,-0.2 2,-0.2 0.768 73.4 176.6 -87.0 -26.4 -2.9 29.4 29.8 104 104 2 G T 3 S- 0 0 10 -6,-0.4 -1,-0.2 1,-0.3 -4,-0.1 -0.374 72.2 -18.2 59.5-123.3 -4.4 27.2 27.1 105 105 2 M T 3 S+ 0 0 4 -2,-0.2 2,-3.1 1,-0.1 3,-0.3 0.342 102.5 114.7 -97.5 9.6 -2.3 27.7 23.9 106 106 2 N S < S+ 0 0 72 -3,-2.4 -1,-0.1 1,-0.2 -2,-0.1 -0.107 76.6 53.6 -72.4 48.4 -0.7 31.0 25.2 107 107 2 A S S+ 0 0 42 -2,-3.1 -1,-0.2 1,-0.1 -2,-0.1 0.427 71.7 98.6-144.0 -53.5 2.6 29.0 25.2 108 108 2 W > - 0 0 27 -3,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.178 67.4-140.3 -47.7 122.3 3.4 27.4 21.8 109 109 2 V H >>S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 5,-0.5 0.908 96.7 49.1 -57.5 -43.6 5.8 29.9 20.1 110 110 2 A H >>>S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 3,-1.0 0.998 117.5 37.3 -61.9 -64.7 4.2 29.5 16.7 111 111 2 W H 3>>S+ 0 0 15 1,-0.2 5,-4.2 3,-0.2 4,-1.3 0.926 105.4 72.0 -52.6 -47.8 0.6 30.0 17.7 112 112 2 R H 3<5S- 0 0 93 -4,-2.7 -1,-0.2 -7,-0.2 -2,-0.2 0.837 127.2 -5.5 -38.3 -47.8 1.6 32.7 20.2 113 113 2 N H <<5S+ 0 0 80 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.651 132.1 58.2-124.7 -29.5 2.4 35.2 17.5 114 114 2 R H <<> S+ 0 0 108 -95,-0.1 4,-4.0 3,-0.1 3,-2.8 0.711 83.1 68.2-114.6 -38.8 -8.5 31.1 7.5 122 122 2 A T 34 S+ 0 0 55 1,-0.3 -2,-0.1 2,-0.2 -1,-0.0 0.664 101.4 55.2 -59.3 -10.3 -5.3 30.4 5.5 123 123 2 W T 34 S+ 0 0 35 1,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.438 123.1 22.5-102.1 -0.2 -5.0 27.2 7.6 124 124 2 I T X4 S+ 0 0 52 -3,-2.8 3,-1.2 -95,-0.1 -2,-0.2 0.546 81.8 127.6-133.6 -30.4 -8.5 26.0 6.6 125 125 2 R T 3< S+ 0 0 180 -4,-4.0 2,-0.6 1,-0.2 -4,-0.0 0.006 82.8 20.8 -32.9 123.8 -9.4 27.7 3.3 126 126 2 G T 3 S+ 0 0 70 1,-0.1 2,-4.5 -121,-0.0 -1,-0.2 -0.529 100.6 84.3 109.3 -67.1 -10.4 24.8 1.0 127 127 2 a < + 0 0 10 -3,-1.2 2,-4.2 -2,-0.6 -2,-0.1 -0.227 60.9 177.1 -67.1 59.4 -11.2 22.0 3.5 128 128 2 R 0 0 235 -2,-4.5 -1,-0.2 -3,-0.0 -3,-0.1 -0.211 360.0 360.0 -65.7 59.7 -14.7 23.6 3.7 129 129 2 L 0 0 116 -2,-4.2 -116,-0.1 -5,-0.1 -2,-0.0 -0.979 360.0 360.0-148.2 360.0 -15.8 20.9 6.1