## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
C |
132 |
37 |
5807 |
◊ |
A |
x,y,z |
1_555 |
132 |
36 |
5779 |
1252.6 |
-17.8 |
0.054 |
12 |
0 |
0 |
0.399 |
2 |
|
D |
134 |
37 |
5804 |
◊ |
B |
x,y,z |
1_555 |
134 |
35 |
5869 |
1244.1 |
-17.2 |
0.062 |
13 |
0 |
0 |
0.399 |
Average: |
1248.4 |
-17.5 |
0.058 |
13 |
0 |
0 |
0.399 |
2 |
3 |
|
D |
51 |
14 |
5804 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
5779 |
481.6 |
-1.2 |
0.678 |
12 |
0 |
0 |
0.096 |
4 |
|
C |
49 |
14 |
5807 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
5869 |
480.4 |
-1.2 |
0.617 |
12 |
0 |
0 |
0.096 |
Average: |
481.0 |
-1.2 |
0.647 |
12 |
0 |
0 |
0.096 |
3 |
5 |
|
C |
27 |
9 |
5807 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
4 |
1667 |
234.0 |
-2.2 |
0.646 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
E |
26 |
7 |
1667 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
5869 |
229.9 |
-2.7 |
0.531 |
2 |
0 |
0 |
0.171 |
5 |
7 |
|
A |
26 |
10 |
5779 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
26 |
5 |
1566 |
220.6 |
-1.7 |
0.592 |
2 |
0 |
0 |
0.019 |
6 |
8 |
|
D |
23 |
12 |
5804 |
◊ |
C |
x,y,z |
1_555 |
23 |
12 |
5807 |
197.4 |
-2.3 |
0.324 |
2 |
4 |
0 |
0.056 |
9 |
|
B |
21 |
10 |
5869 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
5779 |
194.9 |
-2.4 |
0.274 |
2 |
4 |
0 |
0.056 |
Average: |
196.1 |
-2.3 |
0.299 |
2 |
4 |
0 |
0.056 |
7 |
10 |
|
H |
32 |
4 |
1566 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
5 |
5869 |
191.9 |
-2.6 |
0.563 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
H |
27 |
6 |
1566 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
5807 |
178.0 |
-1.5 |
0.606 |
3 |
0 |
0 |
0.144 |
9 |
12 |
|
G |
20 |
4 |
1585 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
18 |
8 |
5869 |
176.0 |
-3.0 |
0.395 |
1 |
0 |
0 |
0.025 |
10 |
13 |
|
C |
19 |
8 |
5807 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
19 |
5 |
5807 |
164.5 |
1.2 |
0.842 |
4 |
0 |
0 |
0.000 |
11 |
14 |
|
G |
17 |
3 |
1585 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
5804 |
155.6 |
-1.5 |
0.470 |
1 |
0 |
0 |
0.014 |
12 |
15 |
|
[ZDC]A:304 |
12 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
5779 |
153.1 |
0.5 |
0.555 |
2 |
0 |
0 |
0.022 |
16 |
|
[ZDC]B:304 |
12 |
1 |
327 |
◊ |
B |
x,y,z |
1_555 |
20 |
12 |
5869 |
126.9 |
-0.0 |
0.481 |
1 |
0 |
0 |
0.022 |
17 |
|
[ZDC]D:302 |
12 |
1 |
331 |
◊ |
D |
x,y,z |
1_555 |
23 |
12 |
5804 |
125.9 |
-0.7 |
0.458 |
1 |
0 |
0 |
0.022 |
Average: |
135.3 |
-0.1 |
0.498 |
1 |
0 |
0 |
0.022 |
13 |
18 |
|
B |
16 |
9 |
5869 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
5 |
5779 |
150.0 |
0.3 |
0.706 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
B |
13 |
5 |
5869 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
5 |
5804 |
144.1 |
0.0 |
0.656 |
1 |
0 |
0 |
0.000 |
20 |
|
C |
14 |
5 |
5807 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
5 |
5779 |
142.9 |
-0.0 |
0.661 |
1 |
0 |
0 |
0.000 |
Average: |
143.5 |
0.0 |
0.659 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
G |
17 |
7 |
1585 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
5804 |
139.5 |
0.5 |
0.774 |
2 |
1 |
0 |
0.003 |
16 |
22 |
|
C |
16 |
7 |
5807 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
13 |
3 |
1566 |
130.6 |
-1.5 |
0.487 |
2 |
0 |
0 |
0.018 |
17 |
23 |
|
[ZDC]C:302 |
12 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
24 |
12 |
5807 |
127.1 |
-0.9 |
0.424 |
1 |
0 |
0 |
0.066 |
18 |
24 |
|
[OXE]G:201 |
8 |
1 |
272 |
cf |
G |
x,y,z |
1_555 |
11 |
4 |
1585 |
113.2 |
2.9 |
0.055 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[ZDC]D:302 |
9 |
1 |
331 |
cf |
G |
x,y,z |
1_555 |
14 |
5 |
1585 |
105.3 |
0.7 |
0.669 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
B |
12 |
4 |
5869 |
◊ |
E |
x-1,y,z |
1_455 |
12 |
3 |
1667 |
102.1 |
-0.5 |
0.688 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[ZDC]C:302 |
10 |
1 |
333 |
cf |
H |
x,y,z |
1_555 |
20 |
4 |
1566 |
101.7 |
0.8 |
0.715 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[ZDC]B:304 |
10 |
1 |
327 |
cf |
E |
x,y,z |
1_555 |
15 |
4 |
1667 |
101.6 |
1.5 |
0.686 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[OXE]E:101 |
8 |
1 |
272 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
5869 |
85.6 |
2.4 |
0.028 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[OXE]E:101 |
6 |
1 |
272 |
cf |
E |
x,y,z |
1_555 |
9 |
3 |
1667 |
81.9 |
0.5 |
0.061 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[OXE]H:201 |
8 |
1 |
273 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
5807 |
79.8 |
2.3 |
0.031 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[OXE]H:201 |
8 |
1 |
273 |
cf |
H |
x,y,z |
1_555 |
7 |
4 |
1566 |
77.4 |
1.5 |
0.028 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[OXE]G:201 |
5 |
1 |
272 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
5804 |
68.7 |
2.2 |
0.071 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
G |
6 |
2 |
1585 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5869 |
62.3 |
0.8 |
0.762 |
2 |
0 |
0 |
0.000 |
29 |
35 |
|
H |
6 |
2 |
1566 |
◊ |
[OXE]E:101 |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
1 |
272 |
58.9 |
0.5 |
0.003 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
H |
4 |
1 |
1566 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5779 |
57.9 |
0.9 |
0.777 |
2 |
0 |
0 |
0.000 |
31 |
37 |
|
[OXE]H:201 |
5 |
1 |
273 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
1667 |
56.7 |
1.0 |
0.071 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[ZDC]A:304 |
4 |
1 |
327 |
cf |
F |
x,y,z |
1_555 |
4 |
1 |
190 |
54.9 |
1.1 |
0.660 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
C |
7 |
3 |
5807 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
1 |
1566 |
51.3 |
1.3 |
0.719 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
[NH2]G:125 |
1 |
1 |
117 |
cf |
G |
x,y,z |
1_555 |
4 |
1 |
1585 |
50.8 |
0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[NH2]H:125 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
11 |
8 |
1566 |
48.2 |
1.0 |
0.865 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[NH2]E:12 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
5 |
4 |
1667 |
46.7 |
1.1 |
0.861 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
F |
2 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
5779 |
42.3 |
0.3 |
0.780 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
H |
4 |
2 |
1566 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
1667 |
38.0 |
-1.5 |
0.384 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[ZDC]A:304 |
4 |
1 |
327 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5807 |
36.1 |
0.6 |
0.650 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
C |
4 |
2 |
5807 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
5779 |
33.0 |
-0.4 |
0.419 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[ZDC]B:304 |
4 |
1 |
327 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5804 |
30.1 |
0.5 |
0.641 |
0 |
0 |
0 |
0.000 |
48 |
|
[ZDC]D:302 |
4 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5869 |
27.8 |
0.5 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
28.9 |
0.5 |
0.653 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[CA]D:301 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
5804 |
28.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.393 |
50 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
5807 |
28.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.393 |
51 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
5779 |
28.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.393 |
52 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
5869 |
28.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.393 |
Average: |
28.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.393 |
43 |
53 |
|
E |
4 |
1 |
1667 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
5804 |
27.6 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
[ZDC]C:302 |
4 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5779 |
27.2 |
0.5 |
0.666 |
0 |
0 |
0 |
0.000 |
45 |
55 |
|
[OXE]G:201 |
7 |
1 |
272 |
f |
[NH2]G:125 |
x,y,z |
1_555 |
1 |
1 |
117 |
26.1 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
56 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
5869 |
25.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.282 |
57 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
5779 |
25.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.282 |
58 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
5804 |
23.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.282 |
59 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
5807 |
23.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.282 |
Average: |
24.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.282 |
47 |
60 |
|
[OXE]G:201 |
3 |
1 |
272 |
f |
[ZDC]D:302 |
x,y,z |
1_555 |
2 |
1 |
331 |
25.5 |
0.2 |
0.054 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
[ZDC]A:304 |
4 |
1 |
327 |
◊ |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.200 |
62 |
|
[ZDC]B:304 |
4 |
1 |
327 |
◊ |
[CA]B:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
21.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.200 |
63 |
|
[ZDC]D:302 |
4 |
1 |
331 |
◊ |
[CA]D:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
21.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.200 |
64 |
|
[ZDC]C:302 |
4 |
1 |
333 |
◊ |
[CA]C:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
21.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.200 |
Average: |
22.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.200 |
49 |
65 |
|
[OXE]H:201 |
4 |
1 |
273 |
◊ |
[OXE]E:101 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
272 |
23.2 |
1.5 |
0.008 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
[ZDC]A:304 |
3 |
1 |
327 |
◊ |
[CA]A:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.150 |
67 |
|
[ZDC]B:304 |
3 |
1 |
327 |
◊ |
[CA]B:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.150 |
68 |
|
[ZDC]D:302 |
4 |
1 |
331 |
◊ |
[CA]B:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.150 |
69 |
|
[ZDC]C:302 |
3 |
1 |
333 |
◊ |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
20.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.150 |
51 |
70 |
|
[OXE]H:201 |
2 |
1 |
273 |
f |
[ZDC]C:302 |
x,y,z |
1_555 |
3 |
1 |
333 |
21.7 |
1.3 |
0.281 |
0 |
0 |
0 |
0.000 |
52 |
71 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5807 |
17.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.069 |
72 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5804 |
16.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.069 |
73 |
|
[CA]A:303 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5779 |
14.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.069 |
74 |
|
[CA]B:303 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5869 |
14.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
15.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.069 |
53 |
75 |
|
G |
2 |
1 |
1585 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
5779 |
16.8 |
-0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
54 |
76 |
|
[NH2]G:125 |
1 |
1 |
117 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
5869 |
14.0 |
0.3 |
0.906 |
0 |
0 |
0 |
0.000 |
55 |
77 |
|
[NH2]H:125 |
1 |
1 |
117 |
f |
[ZDC]C:302 |
x,y,z |
1_555 |
5 |
1 |
333 |
13.9 |
0.6 |
0.733 |
0 |
0 |
0 |
0.000 |
56 |
78 |
|
C |
4 |
1 |
5807 |
◊ |
[NH2]E:12 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
117 |
12.8 |
0.2 |
0.820 |
0 |
0 |
0 |
0.000 |
57 |
79 |
|
[CA]B:303 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
1585 |
10.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.007 |
58 |
80 |
|
[CA]A:303 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
1566 |
9.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.052 |
59 |
81 |
|
[NH2]H:125 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5807 |
8.9 |
0.0 |
0.734 |
0 |
0 |
0 |
0.000 |
60 |
82 |
|
[OXE]E:101 |
2 |
1 |
272 |
f |
[ZDC]B:304 |
x,y,z |
1_555 |
1 |
1 |
327 |
8.6 |
0.6 |
0.196 |
0 |
0 |
0 |
0.000 |
61 |
83 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.097 |
62 |
84 |
|
[CA]D:301 |
1 |
1 |
85 |
f |
[CA]B:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
63 |
85 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
[CA]B:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.099 |
64 |
86 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.106 |
65 |
87 |
|
[OXE]E:101 |
1 |
1 |
272 |
f |
[NH2]E:12 |
x,y,z |
1_555 |
1 |
1 |
117 |
6.8 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
66 |
88 |
|
C |
2 |
2 |
5807 |
◊ |
[OXE]E:101 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
272 |
6.6 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
67 |
89 |
|
[NH2]E:12 |
1 |
1 |
117 |
f |
[ZDC]B:304 |
x,y,z |
1_555 |
2 |
1 |
327 |
5.2 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
68 |
90 |
|
D |
1 |
1 |
5804 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
5804 |
5.2 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
69 |
91 |
|
[NH2]G:125 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5804 |
4.5 |
0.1 |
0.848 |
0 |
0 |
0 |
0.000 |
70 |
92 |
|
A |
1 |
1 |
5779 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
5807 |
2.4 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
71 |
93 |
|
[OXE]H:201 |
1 |
1 |
273 |
f |
[NH2]H:125 |
x,y,z |
1_555 |
1 |
1 |
117 |
1.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
72 |
94 |
|
C |
1 |
1 |
5807 |
◊ |
[ZDC]C:302 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
333 |
1.3 |
0.0 |
0.452 |
0 |
0 |
0 |
0.000 |
73 |
95 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1667 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
|