## |
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 |
|
H |
173 |
47 |
14688 |
◊ |
F |
x,y,z |
1_555 |
183 |
49 |
14395 |
1693.1 |
-12.0 |
0.234 |
19 |
9 |
0 |
0.136 |
2 |
|
D |
189 |
52 |
14465 |
◊ |
B |
x,y,z |
1_555 |
174 |
48 |
14707 |
1675.9 |
-13.7 |
0.184 |
17 |
6 |
0 |
0.136 |
Average: |
1684.5 |
-12.8 |
0.209 |
18 |
8 |
0 |
0.136 |
2 |
3 |
|
B |
137 |
38 |
14707 |
◊ |
A |
x,y,z |
1_555 |
141 |
43 |
10896 |
1282.0 |
-3.5 |
0.590 |
25 |
12 |
0 |
0.252 |
4 |
|
H |
132 |
37 |
14688 |
◊ |
G |
x,y,z |
1_555 |
138 |
41 |
10761 |
1270.6 |
-5.0 |
0.518 |
24 |
12 |
0 |
0.252 |
5 |
|
D |
127 |
35 |
14465 |
◊ |
C |
x,y,z |
1_555 |
121 |
37 |
11136 |
1236.0 |
-3.7 |
0.542 |
27 |
13 |
0 |
0.252 |
6 |
|
F |
130 |
36 |
14395 |
◊ |
E |
x,y,z |
1_555 |
122 |
37 |
11061 |
1213.8 |
-5.3 |
0.435 |
23 |
11 |
0 |
0.252 |
Average: |
1250.6 |
-4.4 |
0.521 |
25 |
12 |
0 |
0.252 |
3 |
7 |
|
F |
43 |
12 |
14395 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
14465 |
362.6 |
2.6 |
0.867 |
4 |
4 |
0 |
0.000 |
4 |
8 |
|
H |
28 |
9 |
14688 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
40 |
13 |
14465 |
335.3 |
2.2 |
0.735 |
6 |
7 |
0 |
0.011 |
9 |
|
F |
37 |
13 |
14395 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
10 |
14707 |
315.3 |
1.2 |
0.595 |
6 |
9 |
0 |
0.011 |
Average: |
325.3 |
1.7 |
0.665 |
6 |
8 |
0 |
0.011 |
5 |
10 |
|
G |
29 |
10 |
10761 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
11 |
10896 |
334.0 |
-2.0 |
0.433 |
4 |
1 |
0 |
0.000 |
6 |
11 |
|
[79V]H:503 |
20 |
1 |
504 |
f |
H |
x,y,z |
1_555 |
48 |
17 |
14688 |
278.9 |
-4.0 |
0.319 |
0 |
0 |
0 |
0.057 |
12 |
|
[79V]B:505 |
20 |
1 |
496 |
f |
B |
x,y,z |
1_555 |
48 |
17 |
14707 |
276.0 |
-3.8 |
0.324 |
0 |
0 |
0 |
0.057 |
13 |
|
[79V]D:504 |
20 |
1 |
494 |
f |
D |
x,y,z |
1_555 |
49 |
16 |
14465 |
273.8 |
-3.8 |
0.318 |
1 |
0 |
0 |
0.057 |
Average: |
276.2 |
-3.9 |
0.320 |
0 |
0 |
0 |
0.057 |
7 |
14 |
|
[79V]F:505 |
20 |
1 |
494 |
f |
F |
x,y,z |
1_555 |
50 |
16 |
14395 |
275.3 |
-3.9 |
0.321 |
1 |
0 |
0 |
0.041 |
8 |
15 |
|
C |
34 |
10 |
11136 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
11 |
10761 |
268.5 |
1.6 |
0.794 |
6 |
5 |
0 |
0.000 |
9 |
16 |
|
F |
32 |
12 |
14395 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
10 |
10896 |
262.0 |
0.3 |
0.517 |
4 |
1 |
0 |
0.000 |
10 |
17 |
|
F |
26 |
9 |
14395 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
14707 |
244.9 |
-0.5 |
0.275 |
1 |
0 |
0 |
0.004 |
18 |
|
H |
26 |
8 |
14688 |
◊ |
D |
x,y,z |
1_555 |
28 |
9 |
14465 |
242.7 |
-0.4 |
0.330 |
1 |
0 |
0 |
0.004 |
Average: |
243.8 |
-0.5 |
0.303 |
1 |
0 |
0 |
0.004 |
11 |
19 |
|
H |
29 |
11 |
14688 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
14707 |
217.4 |
-2.2 |
0.354 |
0 |
0 |
0 |
0.005 |
12 |
20 |
|
B |
24 |
10 |
14707 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
7 |
11136 |
205.1 |
-1.8 |
0.373 |
2 |
0 |
0 |
0.000 |
21 |
|
E |
14 |
7 |
11061 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
8 |
14688 |
108.5 |
-0.3 |
0.527 |
1 |
0 |
0 |
0.000 |
Average: |
156.8 |
-1.1 |
0.450 |
2 |
0 |
0 |
0.000 |
13 |
22 |
|
H |
23 |
8 |
14688 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
8 |
14707 |
200.2 |
-0.4 |
0.599 |
0 |
0 |
0 |
0.003 |
14 |
23 |
|
H |
24 |
8 |
14688 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
6 |
11136 |
177.5 |
0.7 |
0.650 |
3 |
0 |
0 |
0.000 |
24 |
|
E |
14 |
6 |
11061 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
7 |
14707 |
160.6 |
0.7 |
0.731 |
1 |
0 |
0 |
0.000 |
Average: |
169.0 |
0.7 |
0.690 |
2 |
0 |
0 |
0.001 |
15 |
25 |
|
F |
16 |
5 |
14395 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
5 |
14465 |
147.4 |
-0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[MLI]E:301 |
7 |
1 |
225 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
11061 |
140.1 |
2.9 |
0.289 |
5 |
0 |
0 |
0.000 |
17 |
27 |
|
[MLI]C:301 |
7 |
1 |
226 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
11136 |
139.0 |
3.2 |
0.182 |
5 |
0 |
0 |
0.000 |
18 |
28 |
|
[MLI]G:301 |
7 |
1 |
225 |
f |
G |
x,y,z |
1_555 |
26 |
13 |
10761 |
137.9 |
3.1 |
0.311 |
6 |
0 |
0 |
0.000 |
19 |
29 |
|
[MLI]A:301 |
7 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
10896 |
134.6 |
3.0 |
0.220 |
5 |
0 |
0 |
0.000 |
20 |
30 |
|
[CS]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
14707 |
124.1 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.620 |
31 |
|
[CS]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
14465 |
121.9 |
-43.2 |
0.000 |
0 |
0 |
0 |
0.620 |
32 |
|
[CS]H:502 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
16 |
10 |
14688 |
121.7 |
-43.2 |
0.000 |
0 |
0 |
0 |
0.620 |
33 |
|
[CS]F:502 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
14 |
10 |
14395 |
121.0 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.620 |
Average: |
122.1 |
-43.3 |
0.000 |
0 |
0 |
0 |
0.620 |
21 |
34 |
|
[79V]H:503 |
9 |
1 |
504 |
◊ |
G |
x,y,z |
1_555 |
15 |
7 |
10761 |
117.9 |
0.1 |
0.570 |
0 |
0 |
0 |
0.005 |
35 |
|
[79V]B:505 |
9 |
1 |
496 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
10896 |
117.0 |
0.1 |
0.570 |
1 |
0 |
0 |
0.005 |
36 |
|
[79V]F:505 |
8 |
1 |
494 |
◊ |
E |
x,y,z |
1_555 |
16 |
7 |
11061 |
114.6 |
0.1 |
0.501 |
1 |
0 |
0 |
0.005 |
37 |
|
[79V]D:504 |
8 |
1 |
494 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
11136 |
111.8 |
0.2 |
0.519 |
1 |
0 |
0 |
0.005 |
Average: |
115.3 |
0.1 |
0.540 |
1 |
0 |
0 |
0.005 |
22 |
38 |
|
[CS]F:503 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
22 |
10 |
14395 |
115.8 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.313 |
39 |
|
[CS]D:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
14465 |
114.0 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.313 |
Average: |
114.9 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.313 |
23 |
40 |
|
E |
9 |
3 |
11061 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
10896 |
97.7 |
2.4 |
0.860 |
2 |
6 |
0 |
0.000 |
24 |
41 |
|
[FMT]D:506 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
14465 |
89.5 |
0.2 |
0.653 |
1 |
0 |
0 |
0.003 |
25 |
42 |
|
[CS]B:503 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
14707 |
89.1 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.195 |
43 |
|
[CS]B:503 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
14465 |
85.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.195 |
44 |
|
[CS]F:504 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
16 |
6 |
14688 |
84.6 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.195 |
45 |
|
[CS]F:504 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
14395 |
83.8 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
85.9 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.195 |
26 |
46 |
|
[FMT]F:510 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
14395 |
85.9 |
0.5 |
0.723 |
3 |
0 |
0 |
0.008 |
27 |
47 |
|
[FMT]D:505 |
3 |
1 |
151 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
14465 |
85.4 |
-0.4 |
0.402 |
0 |
0 |
0 |
0.004 |
28 |
48 |
|
[FMT]B:507 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14707 |
85.4 |
-0.7 |
0.467 |
1 |
0 |
0 |
0.016 |
29 |
49 |
|
[FMT]H:505 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
14688 |
85.3 |
-0.2 |
0.414 |
0 |
0 |
0 |
0.003 |
30 |
50 |
|
[FMT]F:509 |
3 |
1 |
151 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
14688 |
85.0 |
-0.7 |
0.439 |
1 |
0 |
0 |
0.017 |
31 |
51 |
|
[FMT]D:507 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
14465 |
84.7 |
-0.7 |
0.342 |
0 |
0 |
0 |
0.007 |
32 |
52 |
|
[FMT]B:506 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14707 |
84.5 |
-0.2 |
0.404 |
2 |
0 |
0 |
0.015 |
33 |
53 |
|
[FMT]B:509 |
3 |
1 |
151 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
14465 |
83.7 |
-1.0 |
0.301 |
1 |
0 |
0 |
0.015 |
34 |
54 |
|
[FMT]G:303 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
10761 |
83.7 |
-0.7 |
0.299 |
1 |
0 |
0 |
0.212 |
35 |
55 |
|
[FMT]F:507 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
14395 |
83.7 |
-0.2 |
0.405 |
2 |
0 |
0 |
0.010 |
36 |
56 |
|
[FMT]H:507 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
14395 |
83.4 |
-0.7 |
0.465 |
1 |
0 |
0 |
0.010 |
37 |
57 |
|
[FMT]A:302 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10896 |
83.2 |
-0.6 |
0.305 |
1 |
0 |
0 |
0.015 |
38 |
58 |
|
[CS]B:504 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14707 |
74.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.243 |
59 |
|
H |
12 |
4 |
14688 |
◊ |
[CS]B:504 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
71.7 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
72.9 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.243 |
39 |
60 |
|
[FMT]G:304 |
3 |
1 |
151 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
10761 |
71.8 |
0.3 |
0.474 |
1 |
0 |
0 |
0.036 |
40 |
61 |
|
[FMT]H:506 |
3 |
1 |
151 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
14688 |
70.5 |
0.9 |
0.765 |
1 |
0 |
0 |
0.000 |
41 |
62 |
|
[FMT]B:508 |
3 |
1 |
151 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14707 |
66.6 |
-0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
[FMT]H:504 |
3 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
14688 |
66.0 |
-0.2 |
0.435 |
0 |
0 |
0 |
0.000 |
43 |
64 |
|
[FMT]H:508 |
3 |
1 |
151 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
14688 |
65.1 |
-0.6 |
0.376 |
1 |
0 |
0 |
0.016 |
44 |
65 |
|
[FMT]F:508 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
14395 |
64.0 |
-0.5 |
0.392 |
0 |
0 |
0 |
0.005 |
45 |
66 |
|
[FMT]C:302 |
3 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
14465 |
63.8 |
-0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[FMT]G:302 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
10761 |
59.3 |
0.0 |
0.636 |
1 |
0 |
0 |
0.076 |
47 |
68 |
|
F |
10 |
5 |
14395 |
f |
[FMT]B:508 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
151 |
56.7 |
0.3 |
0.643 |
2 |
0 |
0 |
0.006 |
48 |
69 |
|
[FMT]H:508 |
3 |
1 |
151 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
6 |
14465 |
55.6 |
0.5 |
0.678 |
1 |
0 |
0 |
0.000 |
49 |
70 |
|
[FMT]H:504 |
3 |
1 |
150 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
5 |
14465 |
55.5 |
0.2 |
0.623 |
2 |
0 |
0 |
0.007 |
50 |
71 |
|
D |
4 |
1 |
14465 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
10761 |
52.6 |
0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
51 |
72 |
|
[FMT]H:506 |
2 |
1 |
151 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
14465 |
47.6 |
-0.1 |
0.542 |
1 |
0 |
0 |
0.005 |
52 |
73 |
|
[FMT]C:302 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
11136 |
46.0 |
-0.2 |
0.388 |
1 |
0 |
0 |
0.007 |
53 |
74 |
|
[FMT]F:506 |
2 |
1 |
151 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
14395 |
41.0 |
-0.0 |
0.629 |
1 |
0 |
0 |
0.004 |
54 |
75 |
|
[FMT]F:506 |
2 |
1 |
151 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
3 |
14465 |
40.7 |
-0.1 |
0.632 |
1 |
0 |
0 |
0.001 |
55 |
76 |
|
[FMT]H:507 |
2 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
14688 |
40.4 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
56 |
77 |
|
[FMT]B:509 |
2 |
1 |
151 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14707 |
37.3 |
0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
57 |
78 |
|
[FMT]F:509 |
2 |
1 |
151 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
14395 |
36.3 |
0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
58 |
79 |
|
[FMT]B:507 |
2 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
14465 |
35.9 |
0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
59 |
80 |
|
[FMT]F:508 |
3 |
1 |
150 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
11061 |
35.8 |
0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
60 |
81 |
|
[FMT]G:303 |
3 |
1 |
150 |
f |
[MLI]G:301 |
x,y,z |
1_555 |
4 |
1 |
225 |
32.0 |
0.7 |
0.509 |
0 |
0 |
0 |
0.000 |
61 |
82 |
|
[FMT]A:302 |
3 |
1 |
150 |
f |
[MLI]A:301 |
x,y,z |
1_555 |
4 |
1 |
225 |
30.5 |
0.7 |
0.509 |
0 |
0 |
0 |
0.000 |
62 |
83 |
|
[FMT]G:302 |
2 |
1 |
150 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
10896 |
30.4 |
0.1 |
0.498 |
0 |
0 |
0 |
0.000 |
63 |
84 |
|
[CS]F:503 |
1 |
1 |
216 |
f |
[FMT]F:506 |
x,y,z |
1_555 |
3 |
1 |
151 |
27.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.051 |
64 |
85 |
|
[FMT]F:506 |
3 |
1 |
151 |
◊ |
[CS]D:503 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
27.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.014 |
65 |
86 |
|
[CS]F:504 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14707 |
27.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.065 |
87 |
|
[CS]B:503 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
14688 |
10.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
18.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.065 |
66 |
88 |
|
[CS]D:503 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14707 |
20.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.023 |
89 |
|
[CS]F:503 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14688 |
15.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
18.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.023 |
67 |
90 |
|
C |
2 |
1 |
11136 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
11061 |
20.1 |
0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
68 |
91 |
|
[FMT]D:507 |
1 |
1 |
150 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11136 |
17.2 |
-0.1 |
0.279 |
0 |
0 |
0 |
0.000 |
69 |
92 |
|
E |
1 |
1 |
11061 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
11136 |
9.7 |
-0.3 |
0.251 |
0 |
0 |
0 |
0.000 |
70 |
93 |
|
[CS]F:503 |
1 |
1 |
216 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
14465 |
9.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
94 |
|
F |
1 |
1 |
14395 |
◊ |
[CS]D:503 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
8.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
71 |
95 |
|
H |
1 |
1 |
14688 |
◊ |
[FMT]B:507 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
150 |
3.1 |
-0.0 |
0.344 |
0 |
0 |
0 |
0.000 |
72 |
96 |
|
[CS]F:503 |
1 |
1 |
216 |
◊ |
[CS]D:503 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
2.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.003 |
73 |
97 |
|
[FMT]F:509 |
1 |
1 |
151 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
14707 |
1.6 |
-0.0 |
0.384 |
0 |
0 |
0 |
0.000 |
|