## |
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 |
|
G |
90 |
22 |
8133 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
87 |
22 |
8108 |
808.9 |
-9.6 |
0.343 |
14 |
12 |
0 |
0.753 |
2 |
|
K |
92 |
24 |
8196 |
◊ |
F |
x,y,z |
1_555 |
92 |
24 |
8091 |
797.5 |
-9.1 |
0.389 |
13 |
12 |
0 |
0.753 |
3 |
|
I |
90 |
23 |
8127 |
◊ |
C |
x,y,z |
1_555 |
94 |
24 |
8237 |
797.0 |
-9.3 |
0.359 |
13 |
11 |
0 |
0.753 |
4 |
|
E |
90 |
22 |
8108 |
◊ |
B |
x,y,z |
1_555 |
90 |
23 |
8211 |
795.6 |
-9.1 |
0.344 |
14 |
11 |
0 |
0.753 |
5 |
|
J |
91 |
22 |
8123 |
◊ |
H |
x,y,z |
1_555 |
90 |
23 |
8150 |
794.9 |
-9.2 |
0.379 |
14 |
12 |
0 |
0.753 |
6 |
|
L |
90 |
24 |
8207 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
89 |
23 |
8207 |
739.9 |
-7.9 |
0.364 |
14 |
12 |
0 |
0.753 |
7 |
|
D |
90 |
24 |
8208 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
91 |
24 |
8208 |
739.9 |
-8.1 |
0.275 |
14 |
12 |
0 |
0.753 |
Average: |
782.0 |
-8.9 |
0.350 |
14 |
12 |
0 |
0.753 |
2 |
8 |
|
K |
54 |
15 |
8196 |
◊ |
H |
x,y,z |
1_555 |
56 |
12 |
8150 |
523.2 |
-5.7 |
0.390 |
7 |
11 |
0 |
0.763 |
9 |
|
K |
55 |
12 |
8196 |
◊ |
D |
x,y,z |
1_555 |
55 |
14 |
8208 |
522.6 |
-5.8 |
0.340 |
7 |
11 |
0 |
0.763 |
10 |
|
H |
57 |
15 |
8150 |
◊ |
D |
x,y,z |
1_555 |
57 |
13 |
8208 |
522.4 |
-5.8 |
0.346 |
7 |
11 |
0 |
0.763 |
11 |
|
L |
54 |
14 |
8207 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
58 |
13 |
8108 |
522.0 |
-5.5 |
0.433 |
7 |
11 |
0 |
0.763 |
12 |
|
L |
55 |
12 |
8207 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
55 |
14 |
8211 |
521.8 |
-5.6 |
0.383 |
7 |
10 |
0 |
0.763 |
13 |
|
J |
55 |
15 |
8123 |
◊ |
G |
-x,y,-z-1/2 |
3_554 |
56 |
13 |
8133 |
521.3 |
-6.1 |
0.357 |
7 |
11 |
0 |
0.763 |
14 |
|
I |
53 |
12 |
8127 |
◊ |
G |
x,y,z |
1_555 |
54 |
14 |
8133 |
520.5 |
-5.9 |
0.359 |
7 |
11 |
0 |
0.763 |
15 |
|
B |
57 |
12 |
8211 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
8108 |
519.2 |
-5.8 |
0.367 |
7 |
11 |
0 |
0.763 |
16 |
|
J |
56 |
12 |
8123 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
54 |
14 |
8127 |
517.9 |
-6.1 |
0.375 |
7 |
11 |
0 |
0.763 |
17 |
|
F |
57 |
15 |
8091 |
◊ |
C |
x,y,z |
1_555 |
56 |
12 |
8237 |
517.5 |
-5.8 |
0.365 |
7 |
11 |
0 |
0.763 |
18 |
|
E |
53 |
12 |
8108 |
◊ |
C |
x,y,z |
1_555 |
54 |
14 |
8237 |
516.3 |
-5.9 |
0.314 |
7 |
11 |
0 |
0.763 |
19 |
|
F |
54 |
12 |
8091 |
◊ |
E |
x,y,z |
1_555 |
53 |
14 |
8108 |
515.2 |
-5.6 |
0.404 |
7 |
11 |
0 |
0.763 |
Average: |
520.0 |
-5.8 |
0.369 |
7 |
11 |
0 |
0.763 |
3 |
20 |
|
L |
56 |
13 |
8207 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
8211 |
462.9 |
-4.1 |
0.598 |
5 |
0 |
0 |
0.195 |
21 |
|
L |
49 |
14 |
8207 |
◊ |
G |
x,y,z |
1_555 |
56 |
13 |
8133 |
459.3 |
-3.7 |
0.611 |
5 |
0 |
0 |
0.195 |
22 |
|
K |
49 |
13 |
8196 |
◊ |
J |
x,y,z |
1_555 |
55 |
13 |
8123 |
444.1 |
-4.8 |
0.502 |
6 |
0 |
0 |
0.195 |
23 |
|
F |
54 |
13 |
8091 |
◊ |
D |
x,y,z |
1_555 |
49 |
13 |
8208 |
440.1 |
-4.8 |
0.533 |
5 |
0 |
0 |
0.195 |
24 |
|
G |
49 |
15 |
8133 |
◊ |
C |
x,y,z |
1_555 |
55 |
13 |
8237 |
438.8 |
-5.1 |
0.487 |
5 |
0 |
0 |
0.195 |
25 |
|
I |
53 |
13 |
8127 |
◊ |
F |
x,y,z |
1_555 |
47 |
15 |
8091 |
436.8 |
-5.1 |
0.559 |
5 |
0 |
0 |
0.195 |
26 |
|
H |
45 |
14 |
8150 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
55 |
13 |
8208 |
435.1 |
-5.4 |
0.446 |
5 |
0 |
0 |
0.195 |
27 |
|
C |
48 |
15 |
8237 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
8211 |
420.7 |
-5.0 |
0.476 |
5 |
0 |
0 |
0.195 |
28 |
|
I |
47 |
14 |
8127 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
52 |
13 |
8150 |
406.2 |
-4.8 |
0.560 |
5 |
0 |
0 |
0.195 |
29 |
|
J |
48 |
14 |
8123 |
◊ |
A |
x,y,z |
1_555 |
50 |
12 |
8108 |
404.1 |
-5.1 |
0.516 |
5 |
0 |
0 |
0.195 |
30 |
|
K |
51 |
12 |
8196 |
◊ |
E |
x,y,z |
1_555 |
47 |
15 |
8108 |
399.6 |
-5.4 |
0.469 |
5 |
0 |
0 |
0.195 |
31 |
|
E |
48 |
12 |
8108 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
8108 |
383.7 |
-5.4 |
0.457 |
5 |
0 |
0 |
0.195 |
Average: |
427.6 |
-4.9 |
0.518 |
5 |
0 |
0 |
0.195 |
4 |
32 |
|
[HEM]A:202 |
39 |
1 |
825 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
8108 |
334.7 |
-10.6 |
0.430 |
0 |
0 |
0 |
0.238 |
33 |
|
[HEM]C:201 |
37 |
1 |
834 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
8237 |
332.8 |
-11.1 |
0.363 |
0 |
0 |
0 |
0.238 |
34 |
|
[HEM]H:201 |
39 |
1 |
823 |
◊ |
H |
x,y,z |
1_555 |
39 |
13 |
8150 |
332.6 |
-10.7 |
0.390 |
0 |
0 |
0 |
0.238 |
35 |
|
[HEM]E:201 |
38 |
1 |
831 |
◊ |
B |
x,y,z |
1_555 |
38 |
13 |
8211 |
332.2 |
-10.7 |
0.354 |
0 |
0 |
0 |
0.238 |
36 |
|
[HEM]K:201 |
40 |
1 |
826 |
◊ |
F |
x,y,z |
1_555 |
38 |
13 |
8091 |
328.5 |
-10.4 |
0.402 |
0 |
0 |
0 |
0.238 |
37 |
|
[HEM]D:202 |
37 |
1 |
838 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
8208 |
245.5 |
-7.6 |
0.365 |
0 |
0 |
0 |
0.238 |
38 |
|
[HEM]L:201 |
39 |
1 |
834 |
◊ |
L |
x,y,z |
1_555 |
40 |
13 |
8207 |
244.9 |
-7.5 |
0.406 |
0 |
0 |
0 |
0.238 |
Average: |
307.3 |
-9.8 |
0.387 |
0 |
0 |
0 |
0.238 |
5 |
39 |
|
[HEM]K:201 |
40 |
1 |
826 |
◊ |
K |
x,y,z |
1_555 |
40 |
13 |
8196 |
332.2 |
-10.8 |
0.378 |
0 |
0 |
0 |
0.239 |
40 |
|
[HEM]A:202 |
39 |
1 |
825 |
◊ |
G |
-x,y,-z-1/2 |
3_554 |
40 |
13 |
8133 |
328.3 |
-10.7 |
0.371 |
0 |
0 |
0 |
0.239 |
41 |
|
[HEM]E:201 |
38 |
1 |
831 |
◊ |
E |
x,y,z |
1_555 |
38 |
13 |
8108 |
327.4 |
-10.5 |
0.349 |
0 |
0 |
0 |
0.239 |
42 |
|
[HEM]C:201 |
38 |
1 |
834 |
◊ |
I |
x,y,z |
1_555 |
37 |
13 |
8127 |
324.7 |
-10.5 |
0.363 |
0 |
0 |
0 |
0.239 |
43 |
|
[HEM]H:201 |
38 |
1 |
823 |
◊ |
J |
x,y,z |
1_555 |
37 |
13 |
8123 |
323.3 |
-10.4 |
0.348 |
0 |
0 |
0 |
0.239 |
44 |
|
[HEM]D:202 |
39 |
1 |
838 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
38 |
13 |
8208 |
246.5 |
-7.6 |
0.336 |
0 |
0 |
0 |
0.239 |
45 |
|
[HEM]L:201 |
37 |
1 |
834 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
38 |
13 |
8207 |
241.3 |
-7.7 |
0.379 |
0 |
0 |
0 |
0.239 |
Average: |
303.4 |
-9.7 |
0.361 |
0 |
0 |
0 |
0.239 |
6 |
46 |
|
[HEM]D:202 |
42 |
1 |
838 |
f |
[HEM]D:202 |
-x,y,-z-1/2 |
3_554 |
43 |
1 |
838 |
287.7 |
-12.6 |
1.000 |
0 |
0 |
0 |
0.177 |
47 |
|
[HEM]L:201 |
43 |
1 |
834 |
f |
[HEM]L:201 |
-x,y,-z-1/2 |
3_554 |
43 |
1 |
834 |
287.2 |
-12.4 |
1.000 |
0 |
0 |
0 |
0.177 |
Average: |
287.4 |
-12.5 |
1.000 |
0 |
0 |
0 |
0.177 |
7 |
48 |
|
E |
25 |
8 |
8108 |
◊ |
J |
x-1/2,-y-1/2,-z |
8_445 |
21 |
7 |
8123 |
237.0 |
2.9 |
0.943 |
5 |
5 |
0 |
0.000 |
8 |
49 |
|
[VXS]B:202 |
21 |
1 |
510 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
8108 |
206.9 |
-3.7 |
0.523 |
0 |
0 |
0 |
0.211 |
50 |
|
[VXS]E:202 |
21 |
1 |
507 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
8211 |
206.9 |
-3.8 |
0.490 |
0 |
0 |
0 |
0.211 |
51 |
|
[VXS]I:201 |
21 |
1 |
504 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
8237 |
203.8 |
-3.8 |
0.504 |
0 |
0 |
0 |
0.211 |
52 |
|
[VXS]F:201 |
22 |
1 |
502 |
◊ |
K |
x,y,z |
1_555 |
24 |
7 |
8196 |
202.3 |
-3.7 |
0.524 |
0 |
0 |
0 |
0.211 |
53 |
|
[VXS]K:202 |
21 |
1 |
508 |
◊ |
F |
x,y,z |
1_555 |
22 |
7 |
8091 |
198.9 |
-3.4 |
0.529 |
0 |
0 |
0 |
0.211 |
Average: |
203.7 |
-3.7 |
0.514 |
0 |
0 |
0 |
0.211 |
9 |
54 |
|
L |
21 |
8 |
8207 |
◊ |
H |
x-1/2,y+1/2,z |
5_455 |
19 |
9 |
8150 |
205.1 |
1.4 |
0.872 |
1 |
0 |
0 |
0.000 |
10 |
55 |
|
[VXS]J:201 |
22 |
1 |
506 |
◊ |
H |
x,y,z |
1_555 |
24 |
7 |
8150 |
205.0 |
-3.8 |
0.544 |
0 |
0 |
0 |
0.118 |
11 |
56 |
|
[VXS]H:202 |
15 |
1 |
413 |
f |
J |
x,y,z |
1_555 |
20 |
7 |
8123 |
166.6 |
-3.1 |
0.436 |
0 |
0 |
0 |
0.096 |
12 |
57 |
|
[VXS]B:202 |
17 |
1 |
510 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8211 |
148.5 |
-4.2 |
0.520 |
3 |
0 |
0 |
0.318 |
58 |
|
[VXS]F:201 |
17 |
1 |
502 |
f |
F |
x,y,z |
1_555 |
19 |
6 |
8091 |
148.1 |
-4.1 |
0.544 |
3 |
0 |
0 |
0.318 |
59 |
|
[VXS]E:202 |
16 |
1 |
507 |
f |
E |
x,y,z |
1_555 |
19 |
7 |
8108 |
146.5 |
-4.0 |
0.529 |
3 |
0 |
0 |
0.318 |
60 |
|
[VXS]K:202 |
16 |
1 |
508 |
f |
K |
x,y,z |
1_555 |
19 |
7 |
8196 |
146.5 |
-4.3 |
0.490 |
3 |
0 |
0 |
0.318 |
61 |
|
[VXS]J:201 |
17 |
1 |
506 |
f |
J |
x,y,z |
1_555 |
19 |
7 |
8123 |
145.4 |
-4.0 |
0.535 |
3 |
0 |
0 |
0.318 |
62 |
|
[VXS]I:201 |
17 |
1 |
504 |
f |
I |
x,y,z |
1_555 |
17 |
7 |
8127 |
145.3 |
-4.0 |
0.519 |
3 |
0 |
0 |
0.318 |
Average: |
146.7 |
-4.1 |
0.523 |
3 |
0 |
0 |
0.318 |
13 |
63 |
|
[VXS]C:202 |
13 |
1 |
365 |
◊ |
I |
x,y,z |
1_555 |
19 |
6 |
8127 |
143.4 |
-2.7 |
0.484 |
0 |
0 |
0 |
0.085 |
14 |
64 |
|
[VXS]D:203 |
16 |
1 |
503 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
17 |
6 |
8208 |
143.2 |
-1.9 |
0.598 |
0 |
0 |
0 |
0.154 |
65 |
|
[VXS]A:203 |
16 |
1 |
506 |
◊ |
G |
-x,y,-z-1/2 |
3_554 |
17 |
6 |
8133 |
139.8 |
-1.6 |
0.606 |
0 |
0 |
0 |
0.154 |
66 |
|
[VXS]L:202 |
13 |
1 |
334 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
13 |
6 |
8207 |
120.9 |
-2.1 |
0.414 |
0 |
0 |
0 |
0.154 |
Average: |
134.6 |
-1.9 |
0.540 |
0 |
0 |
0 |
0.154 |
15 |
67 |
|
[VXS]A:203 |
15 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
8108 |
140.6 |
-2.9 |
0.568 |
3 |
0 |
0 |
0.296 |
68 |
|
[VXS]D:203 |
14 |
1 |
503 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
8208 |
139.1 |
-2.9 |
0.538 |
3 |
0 |
0 |
0.296 |
69 |
|
[VXS]L:202 |
11 |
1 |
334 |
f |
L |
x,y,z |
1_555 |
17 |
5 |
8207 |
113.0 |
-2.2 |
0.557 |
3 |
0 |
0 |
0.296 |
Average: |
130.9 |
-2.7 |
0.554 |
3 |
0 |
0 |
0.296 |
16 |
70 |
|
[VXS]H:202 |
12 |
1 |
413 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
8150 |
124.5 |
-1.7 |
0.541 |
3 |
0 |
0 |
0.093 |
17 |
71 |
|
[VXS]C:202 |
12 |
1 |
365 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
8237 |
119.3 |
-2.3 |
0.570 |
3 |
0 |
0 |
0.112 |
18 |
72 |
|
D |
17 |
4 |
8208 |
◊ |
[VXS]A:203 |
x-1/2,y-1/2,z |
5_445 |
10 |
1 |
506 |
113.8 |
-1.9 |
0.664 |
0 |
0 |
0 |
0.000 |
73 |
|
G |
17 |
4 |
8133 |
◊ |
[VXS]D:203 |
x-1/2,y+1/2,z |
5_455 |
10 |
1 |
503 |
111.7 |
-2.2 |
0.646 |
0 |
0 |
0 |
0.000 |
Average: |
112.8 |
-2.0 |
0.655 |
0 |
0 |
0 |
0.000 |
19 |
74 |
|
D |
10 |
3 |
8208 |
◊ |
G |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
9 |
3 |
8133 |
108.8 |
1.8 |
0.905 |
2 |
0 |
0 |
0.000 |
20 |
75 |
|
D |
13 |
6 |
8208 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
6 |
4 |
8108 |
97.9 |
0.6 |
0.789 |
2 |
0 |
0 |
0.000 |
76 |
|
G |
4 |
3 |
8133 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
4 |
4 |
8208 |
31.2 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
64.6 |
0.3 |
0.714 |
1 |
0 |
0 |
0.000 |
21 |
77 |
|
F |
8 |
3 |
8091 |
◊ |
J |
x-1/2,-y-1/2,-z |
8_445 |
7 |
2 |
8123 |
79.5 |
1.0 |
0.818 |
1 |
0 |
0 |
0.000 |
22 |
78 |
|
C |
9 |
6 |
8237 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
12 |
5 |
8108 |
67.5 |
-0.7 |
0.588 |
0 |
0 |
0 |
0.000 |
23 |
79 |
|
I |
8 |
3 |
8127 |
◊ |
I |
-x-1,y,-z-1/2 |
3_454 |
8 |
3 |
8127 |
60.3 |
-1.5 |
0.352 |
0 |
0 |
0 |
0.000 |
24 |
80 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
8108 |
53.5 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.734 |
81 |
|
[K]D:201 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
8208 |
53.1 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.734 |
82 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
9 |
3 |
8196 |
52.8 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.734 |
83 |
|
[K]D:201 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
8127 |
52.6 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.734 |
84 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
8211 |
52.6 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.734 |
85 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
8207 |
52.5 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.734 |
86 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8133 |
52.4 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.734 |
87 |
|
[K]D:201 |
1 |
1 |
216 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
9 |
3 |
8150 |
52.3 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.734 |
88 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8108 |
52.2 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.734 |
89 |
|
[K]D:201 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
8091 |
52.1 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.734 |
90 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8237 |
52.0 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.734 |
91 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
8123 |
51.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.734 |
Average: |
52.5 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.734 |
25 |
92 |
|
K |
5 |
2 |
8196 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8108 |
23.9 |
0.6 |
0.842 |
0 |
0 |
0 |
0.000 |
93 |
|
H |
5 |
2 |
8150 |
◊ |
F |
-x,y,-z-1/2 |
3_554 |
5 |
2 |
8091 |
23.9 |
0.6 |
0.851 |
0 |
0 |
0 |
0.000 |
94 |
|
L |
5 |
2 |
8207 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8237 |
23.9 |
0.6 |
0.838 |
0 |
0 |
0 |
0.000 |
95 |
|
G |
5 |
2 |
8133 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8211 |
23.3 |
0.6 |
0.838 |
0 |
0 |
0 |
0.000 |
96 |
|
I |
5 |
2 |
8127 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8208 |
23.2 |
0.6 |
0.843 |
0 |
0 |
0 |
0.000 |
97 |
|
J |
5 |
2 |
8123 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
8108 |
22.8 |
0.6 |
0.844 |
0 |
0 |
0 |
0.000 |
Average: |
23.5 |
0.6 |
0.843 |
0 |
0 |
0 |
0.000 |
26 |
98 |
|
H |
5 |
4 |
8150 |
◊ |
A |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
1 |
1 |
8108 |
22.2 |
-0.4 |
0.259 |
0 |
0 |
0 |
0.000 |
27 |
99 |
|
C |
3 |
2 |
8237 |
◊ |
E |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
8108 |
19.5 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
28 |
100 |
|
F |
4 |
3 |
8091 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
2 |
8108 |
16.6 |
-0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
29 |
101 |
|
C |
1 |
1 |
8237 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
8208 |
4.4 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
|