DSSP OUTPUT
==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2019-06-21 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
.
COMPND .
SOURCE .
AUTHOR .
118 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
9856.2 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
60 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
0 0.0 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 .
13 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
7 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
39 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
0 0.0 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 2 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
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 0 PARALLEL BRIDGES PER LADDER .
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 0 ANTIPARALLEL BRIDGES PER LADDER .
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 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 CHAIN AUTHCHAIN
1 1 G 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.5 -40.4 74.2 -48.7
2 2 V + 0 0 151 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.922 360.0 75.4 -63.2 -40.7 -41.9 71.3 -50.6
3 3 S S S- 0 0 86 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.312 84.5-130.3 -69.8 155.1 -39.9 72.4 -53.6
4 4 I - 0 0 118 1,-0.1 -2,-0.1 0, 0.0 -1,-0.1 -0.930 12.2-135.3-108.5 131.1 -36.2 71.7 -53.6
5 5 P S S+ 0 0 133 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.767 87.7 47.1 -60.3 -31.1 -34.1 74.7 -54.5
6 6 Y - 0 0 155 -3,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.940 67.2-163.2-122.4 121.2 -31.8 73.0 -56.8
7 7 T - 0 0 103 -2,-0.6 2,-0.4 1,-0.0 0, 0.0 -0.569 19.8-136.4 -86.3 157.4 -33.1 70.7 -59.5
8 8 I - 0 0 127 -2,-0.2 4,-0.1 4,-0.0 3,-0.1 -0.940 15.9-165.8-124.8 144.4 -30.5 68.5 -61.1
9 9 S - 0 0 72 -2,-0.4 4,-0.1 2,-0.2 2,-0.0 -0.560 43.4 -68.4-111.6 178.0 -29.9 67.6 -64.7
10 10 P S S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 -0.378 105.1 20.7 -67.8 150.6 -27.9 64.9 -66.2
11 11 S S S- 0 0 110 1,-0.1 2,-0.6 -3,-0.1 -2,-0.2 0.051 98.7 -84.6 73.7 166.1 -24.1 65.2 -65.7
12 12 I - 0 0 97 1,-0.2 3,-0.2 -4,-0.1 -1,-0.1 -0.940 28.0-171.0-115.3 120.3 -22.8 67.3 -63.0
13 13 D S S- 0 0 146 -2,-0.6 2,-0.2 1,-0.3 -1,-0.2 0.964 81.9 -42.9 -64.7 -47.4 -22.4 71.0 -63.6
14 14 C - 0 0 98 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.795 55.4-131.9-177.2 134.3 -20.6 70.9 -60.3
15 15 S - 0 0 72 -2,-0.2 2,-0.2 -3,-0.2 -3,-0.0 -0.561 37.1-104.9 -86.3 161.1 -21.2 69.3 -57.0
16 16 S - 0 0 110 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.519 36.2-161.0 -82.3 155.7 -20.9 71.4 -53.9
17 17 V - 0 0 127 -2,-0.2 2,-0.3 -3,-0.0 0, 0.0 -0.982 9.2-170.1-137.4 149.9 -17.9 71.0 -51.7
18 18 N - 0 0 141 -2,-0.3 2,-0.4 2,-0.1 -2,-0.0 -0.993 5.8-159.7-137.0 144.0 -17.1 71.9 -48.1
19 19 M + 0 0 173 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.984 19.8 153.1-128.7 139.4 -13.8 71.9 -46.3
20 20 A - 0 0 91 -2,-0.4 2,-0.2 0, 0.0 -2,-0.1 -0.976 47.3 -97.6-153.7 157.0 -13.2 71.7 -42.6
21 21 R - 0 0 199 -2,-0.3 2,-0.6 2,-0.0 -2,-0.0 -0.540 39.6-138.3 -77.2 146.6 -10.4 70.5 -40.4
22 22 A + 0 0 84 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.923 33.0 161.4-114.0 125.0 -11.1 67.1 -39.0
23 23 Q + 0 0 144 -2,-0.6 2,-0.4 2,-0.0 -2,-0.0 -0.720 25.7 139.6-135.6 85.8 -10.4 66.2 -35.5
24 24 L - 0 0 150 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.981 38.8-149.3-130.0 139.0 -12.4 63.1 -34.7
25 25 V - 0 0 129 -2,-0.4 2,-0.8 2,-0.1 -2,-0.0 -0.934 6.4-162.5-109.0 127.3 -11.3 60.1 -32.7
26 26 L + 0 0 169 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.800 31.9 142.6-109.3 93.1 -12.8 56.8 -33.8
27 27 V - 0 0 128 -2,-0.8 2,-0.5 2,-0.0 -2,-0.1 -0.978 25.5-171.6-129.9 120.5 -12.3 54.5 -30.9
28 28 A - 0 0 85 -2,-0.5 2,-0.9 2,-0.1 -2,-0.0 -0.916 11.9-153.1-110.0 135.9 -15.0 52.0 -30.1
29 29 L + 0 0 174 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.785 40.9 136.0-110.3 90.8 -14.7 50.0 -27.0
30 30 V + 0 0 130 -2,-0.9 2,-0.3 2,-0.0 -2,-0.1 -0.999 21.5 94.9-136.7 134.5 -16.6 46.8 -27.6
31 31 A - 0 0 99 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.901 37.9-154.8 167.0 170.0 -15.5 43.3 -26.8
32 32 A - 0 0 104 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.969 4.2-163.5-162.2 156.0 -15.8 40.6 -24.2
33 33 A - 0 0 85 -2,-0.3 2,-0.7 2,-0.1 -2,-0.0 -0.998 14.4-146.2-147.7 146.6 -13.9 37.6 -23.1
34 34 L + 0 0 170 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 -0.898 48.1 126.5-113.3 101.8 -14.6 34.6 -21.0
35 35 L S S- 0 0 117 -2,-0.7 2,-1.1 0, 0.0 -2,-0.1 -0.945 74.0 -97.3-143.5 163.4 -11.5 33.6 -19.1
36 36 L S S+ 0 0 176 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.803 76.7 162.7 -77.9 111.4 -10.5 33.0 -15.6
37 37 A + 0 0 70 -2,-1.1 3,-0.1 1,-0.2 -3,-0.0 -0.686 27.8 63.6-135.4-180.0 -9.3 36.5 -15.3
38 38 G - 0 0 68 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.764 63.4-173.7 77.3 31.4 -8.2 39.4 -13.2
39 39 P - 0 0 99 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.293 21.4-139.3 -59.6 138.7 -5.4 37.5 -11.8
40 40 H - 0 0 188 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.894 34.5-172.2 -95.5 115.6 -3.6 39.4 -9.1
41 41 T - 0 0 110 -2,-0.8 2,-0.4 0, 0.0 -3,-0.0 -0.849 22.9-165.6-121.0 152.0 -0.1 38.6 -9.9
42 42 T - 0 0 115 -2,-0.4 2,-0.1 0, 0.0 -2,-0.0 -0.944 31.3-113.0-122.7 146.6 3.2 39.2 -8.2
43 43 M - 0 0 172 -2,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.464 34.7-161.4 -76.3 154.5 6.5 38.8 -9.9
44 44 A - 0 0 40 -2,-0.1 2,-0.5 2,-0.0 38,-0.0 -0.980 14.9-154.1-136.5 149.8 8.7 36.0 -8.7
45 45 A - 0 0 63 -2,-0.4 2,-1.0 2,-0.0 5,-0.1 -0.991 10.2-157.0-118.3 125.6 12.3 35.2 -9.0
46 46 I + 0 0 27 -2,-0.5 2,-0.1 4,-0.0 -2,-0.0 -0.709 23.6 168.4-109.2 92.2 13.1 31.6 -8.8
47 47 S > - 0 0 67 -2,-1.0 4,-0.9 1,-0.1 5,-0.0 -0.454 45.2-120.4 -90.7 164.3 16.7 31.4 -7.7
48 48 a H > S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.803 111.0 65.1 -71.3 -30.5 18.4 28.3 -6.5
49 49 G H > S+ 0 0 42 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.894 98.2 53.7 -60.3 -38.6 19.2 29.9 -3.2
50 50 Q H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.885 111.9 44.9 -62.9 -39.2 15.5 30.0 -2.5
51 51 V H X S+ 0 0 0 -4,-0.9 4,-4.0 2,-0.2 5,-0.4 0.945 113.9 48.7 -67.0 -47.6 15.3 26.3 -3.1
52 52 N H X S+ 0 0 60 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.913 114.6 46.4 -60.2 -43.8 18.3 25.6 -1.1
53 53 S H < S+ 0 0 88 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.963 117.7 41.7 -63.8 -49.1 17.0 27.7 1.7
54 54 A H < S+ 0 0 13 -4,-2.7 21,-0.3 -5,-0.2 -2,-0.2 0.897 125.3 35.0 -64.5 -46.1 13.6 26.1 1.5
55 55 V H >< S+ 0 0 39 -4,-4.0 3,-3.2 1,-0.2 4,-0.4 0.672 93.7 90.8 -78.3 -25.6 14.8 22.5 1.0
56 56 S G >< S+ 0 0 79 -4,-2.5 3,-1.4 -5,-0.4 4,-0.2 0.792 80.7 57.6 -51.5 -35.8 17.9 22.9 3.2
57 57 P G 3 S+ 0 0 50 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.628 96.2 67.1 -69.4 -13.5 16.1 21.7 6.4
58 58 b G <> S+ 0 0 3 -3,-3.2 4,-3.4 1,-0.2 5,-0.3 0.565 71.7 94.4 -77.2 -16.2 15.2 18.5 4.6
59 59 L H <> S+ 0 0 66 -3,-1.4 4,-1.8 -4,-0.4 -1,-0.2 0.823 83.4 50.4 -54.4 -38.1 18.9 17.3 4.4
60 60 S H 4 S+ 0 0 69 -3,-0.5 4,-0.4 -4,-0.2 3,-0.3 0.983 116.2 39.1 -64.2 -53.0 18.5 15.3 7.6
61 61 Y H >> S+ 0 0 14 -4,-0.4 4,-1.7 1,-0.3 3,-0.9 0.855 116.9 51.7 -63.5 -37.5 15.4 13.5 6.5
62 62 A H 3< S+ 0 0 10 -4,-3.4 45,-3.7 1,-0.3 49,-0.3 0.804 107.2 54.5 -65.0 -34.8 16.8 13.2 3.0
63 63 R T 3< S- 0 0 166 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.533 144.2 -68.5 -73.4 -12.9 19.9 11.8 4.6
64 64 G T <4 S+ 0 0 42 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.2 0.673 77.4 170.0 115.8 58.8 17.9 9.1 6.3
65 65 G < - 0 0 29 -4,-1.7 -4,-0.1 -7,-0.1 -7,-0.0 -0.202 43.5-120.7 -91.6-179.1 15.8 10.9 9.0
66 66 S S S- 0 0 135 1,-0.4 -1,-0.1 -2,-0.1 -5,-0.0 0.684 91.0 -19.6 -89.5 -32.0 12.9 9.7 11.2
67 67 G S S- 0 0 43 0, 0.0 -1,-0.4 0, 0.0 -6,-0.1 -0.770 78.0 -92.2 179.4 134.9 10.5 12.3 9.9
68 68 P - 0 0 25 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 -0.236 46.9-116.6 -58.5 142.0 10.7 15.6 8.0
69 69 S > - 0 0 63 -12,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.119 20.0-110.1 -77.0 169.4 10.9 18.6 10.2
70 70 A H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.866 120.7 52.0 -64.9 -39.8 8.3 21.4 10.4
71 71 A H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 110.1 46.6 -65.0 -46.2 10.9 23.7 8.7
72 72 b H > S+ 0 0 0 -15,-0.3 4,-1.7 1,-0.2 3,-0.3 0.968 115.1 46.3 -61.4 -49.3 11.6 21.3 5.9
73 73 c H X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.844 112.2 50.3 -62.8 -36.5 7.9 20.7 5.3
74 74 S H X S+ 0 0 67 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.828 106.3 57.1 -69.6 -30.3 7.2 24.4 5.4
75 75 G H X S+ 0 0 8 -4,-2.0 4,-3.0 -3,-0.3 -2,-0.2 0.867 106.3 49.4 -65.7 -38.8 10.0 24.9 2.9
76 76 V H X S+ 0 0 47 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.915 111.1 48.6 -64.8 -43.8 8.3 22.6 0.5
77 77 R H X S+ 0 0 149 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.931 113.9 48.7 -61.7 -42.8 5.0 24.5 1.0
78 78 S H X S+ 0 0 74 -4,-2.6 4,-1.8 2,-0.2 3,-0.3 0.947 112.6 44.1 -62.7 -51.8 6.9 27.7 0.4
79 79 L H X S+ 0 0 23 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.904 110.7 56.9 -63.3 -38.0 8.7 26.7 -2.7
80 80 N H < S+ 0 0 111 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.889 107.5 47.9 -58.7 -40.0 5.6 25.1 -4.0
81 81 S H < S+ 0 0 99 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.846 109.6 55.4 -68.4 -33.8 3.9 28.5 -3.6
82 82 A H < S+ 0 0 26 -4,-1.8 2,-1.9 1,-0.1 3,-0.2 0.895 84.4 83.6 -66.2 -43.1 6.9 30.1 -5.4
83 83 A < + 0 0 13 -4,-2.5 -1,-0.1 1,-0.2 3,-0.0 -0.453 51.9 158.4 -72.3 91.0 6.7 28.0 -8.5
84 84 S + 0 0 70 -2,-1.9 -1,-0.2 2,-0.0 2,-0.2 0.861 60.7 16.4 -76.7 -43.3 4.1 30.1 -10.2
85 85 T S > S- 0 0 73 -3,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.618 85.9 -94.4-129.3-178.5 4.8 29.0 -13.7
86 86 T H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 121.4 55.3 -65.1 -43.5 6.5 26.3 -15.7
87 87 A H > S+ 0 0 60 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.903 109.2 48.9 -59.2 -38.8 9.7 28.3 -16.1
88 88 D H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.940 111.9 48.7 -62.8 -45.2 9.7 28.6 -12.3
89 89 R H X S+ 0 0 143 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.779 106.5 56.7 -65.1 -34.0 9.2 24.9 -12.0
90 90 R H X S+ 0 0 179 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.935 112.0 41.6 -65.7 -43.5 11.9 24.1 -14.5
91 91 T H X S+ 0 0 50 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.935 113.5 51.2 -68.0 -45.7 14.4 26.0 -12.4
92 92 A H X S+ 0 0 8 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.882 109.6 52.8 -60.2 -37.5 13.2 24.6 -9.1
93 93 C H X S+ 0 0 68 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.3 0.890 112.3 44.1 -64.7 -40.4 13.4 21.2 -10.6
94 94 N H X S+ 0 0 89 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.905 109.2 54.3 -71.0 -42.3 17.0 21.8 -11.6
95 95 a H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.844 107.4 53.2 -62.9 -33.4 18.1 23.4 -8.4
96 96 L H X S+ 0 0 68 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.924 111.2 45.0 -65.7 -43.3 16.9 20.4 -6.5
97 97 K H X S+ 0 0 140 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.940 112.4 51.3 -63.9 -46.8 18.9 18.1 -8.7
98 98 N H X S+ 0 0 103 -4,-3.0 4,-0.6 1,-0.3 -1,-0.2 0.916 114.0 43.3 -60.1 -45.1 22.0 20.2 -8.5
99 99 V H >< S+ 0 0 36 -4,-2.3 3,-0.5 1,-0.2 -1,-0.3 0.805 111.2 56.5 -69.1 -32.3 21.8 20.3 -4.7
100 100 A H >< S+ 0 0 30 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.877 98.3 60.3 -64.8 -38.6 20.9 16.6 -4.7
101 101 G H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 103.1 54.6 -60.4 -29.5 24.1 15.8 -6.6
102 102 S T << S+ 0 0 108 -4,-0.6 2,-0.5 -3,-0.5 -1,-0.3 0.306 90.7 90.9 -85.6 4.1 26.0 17.3 -3.7
103 103 I X - 0 0 52 -3,-2.2 3,-0.7 -41,-0.0 2,-0.5 -0.882 61.4-148.4-114.7 136.7 24.5 15.2 -0.9
104 104 S T 3 S+ 0 0 112 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.824 84.5 20.7-100.5 134.5 25.9 12.0 0.4
105 105 G T 3 S+ 0 0 55 -2,-0.5 2,-0.6 1,-0.3 -1,-0.2 0.643 76.9 174.6 87.4 16.7 23.5 9.4 1.7
106 106 L < - 0 0 70 -3,-0.7 2,-0.5 -6,-0.2 -1,-0.3 -0.430 23.5-145.8 -62.8 111.4 20.7 10.9 -0.2
107 107 N > - 0 0 68 -45,-3.7 4,-2.2 -2,-0.6 5,-0.2 -0.693 11.1-158.7 -85.3 124.6 18.0 8.4 0.5
108 108 A H > S+ 0 0 73 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.846 92.0 53.0 -66.5 -38.5 15.7 7.9 -2.4
109 109 G H > S+ 0 0 38 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.939 114.1 39.4 -65.4 -47.9 13.0 6.5 -0.1
110 110 N H 4 S+ 0 0 25 -48,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.912 117.6 49.4 -68.0 -44.0 13.0 9.4 2.3
111 111 A H >< S+ 0 0 30 -4,-2.2 3,-1.5 -49,-0.3 -2,-0.2 0.935 110.9 48.2 -63.5 -45.7 13.4 12.0 -0.3
112 112 A H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 4,-0.2 0.819 110.2 55.6 -62.6 -34.7 10.6 10.7 -2.5
113 113 S T 3X S+ 0 0 36 -4,-1.4 4,-2.1 1,-0.2 3,-0.4 0.446 76.9 97.8 -78.1 -5.4 8.4 10.5 0.6
114 114 I H <> S+ 0 0 22 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.2 0.923 80.5 52.1 -58.9 -45.4 8.7 14.1 1.7
115 115 P H 4 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.869 110.8 46.3 -59.5 -38.5 5.5 15.3 0.1
116 116 S H 4 S+ 0 0 95 -3,-0.4 -2,-0.2 -4,-0.2 -3,-0.1 0.948 113.4 49.2 -67.2 -46.2 3.4 12.7 1.7
117 117 K H < 0 0 103 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.725 360.0 360.0 -64.6 -27.4 4.9 13.2 5.1
118 118 c < 0 0 54 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 0.056 360.0 360.0 -87.2 360.0 4.4 16.9 4.8