| ## |
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 |
|
F |
217 |
53 |
20326 |
◊ |
E |
x,y,z |
1_555 |
214 |
53 |
20307 |
2004.5 |
-2.2 |
0.512 |
17 |
27 |
0 |
0.100 |
2 |
|
B |
218 |
53 |
20303 |
◊ |
A |
x,y,z |
1_555 |
215 |
53 |
20287 |
1997.9 |
-2.2 |
0.510 |
18 |
25 |
0 |
0.100 |
3 |
|
H |
218 |
55 |
20299 |
◊ |
G |
x,y,z |
1_555 |
220 |
55 |
20313 |
1994.1 |
-3.0 |
0.477 |
17 |
28 |
0 |
0.100 |
4 |
|
D |
218 |
55 |
20307 |
◊ |
C |
x,y,z |
1_555 |
222 |
55 |
20315 |
1990.2 |
-2.5 |
0.504 |
18 |
28 |
0 |
0.100 |
| Average: |
1996.7 |
-2.5 |
0.501 |
18 |
27 |
0 |
0.100 |
| 2 |
5 |
|
[FAD]A:520 |
52 |
1 |
1021 |
f |
A |
x,y,z |
1_555 |
119 |
44 |
20287 |
727.4 |
-9.4 |
0.276 |
14 |
0 |
0 |
1.000 |
6 |
|
[FAD]D:523 |
52 |
1 |
1019 |
f |
D |
x,y,z |
1_555 |
119 |
43 |
20307 |
723.2 |
-9.4 |
0.287 |
14 |
0 |
0 |
1.000 |
7 |
|
[FAD]C:522 |
52 |
1 |
1017 |
f |
C |
x,y,z |
1_555 |
116 |
44 |
20315 |
722.5 |
-9.6 |
0.272 |
15 |
0 |
0 |
1.000 |
8 |
|
[FAD]E:524 |
53 |
1 |
1015 |
f |
E |
x,y,z |
1_555 |
121 |
44 |
20307 |
722.4 |
-9.3 |
0.287 |
15 |
0 |
0 |
1.000 |
9 |
|
[FAD]H:527 |
53 |
1 |
1017 |
f |
H |
x,y,z |
1_555 |
117 |
42 |
20299 |
722.3 |
-9.4 |
0.275 |
15 |
0 |
0 |
1.000 |
10 |
|
[FAD]G:526 |
52 |
1 |
1013 |
f |
G |
x,y,z |
1_555 |
119 |
44 |
20313 |
721.3 |
-9.5 |
0.273 |
16 |
0 |
0 |
1.000 |
11 |
|
[FAD]B:521 |
51 |
1 |
1012 |
f |
B |
x,y,z |
1_555 |
118 |
43 |
20303 |
719.5 |
-9.5 |
0.273 |
15 |
0 |
0 |
1.000 |
12 |
|
[FAD]F:525 |
53 |
1 |
1014 |
f |
F |
x,y,z |
1_555 |
116 |
42 |
20326 |
719.4 |
-9.4 |
0.278 |
16 |
0 |
0 |
1.000 |
| Average: |
722.3 |
-9.4 |
0.278 |
15 |
0 |
0 |
1.000 |
| 3 |
13 |
|
F |
73 |
22 |
20326 |
◊ |
D |
x,y,z |
1_555 |
73 |
21 |
20307 |
620.0 |
-5.9 |
0.152 |
4 |
0 |
0 |
0.000 |
14 |
|
E |
71 |
21 |
20307 |
◊ |
C |
x,y,z |
1_555 |
74 |
21 |
20315 |
581.6 |
-5.6 |
0.168 |
4 |
0 |
0 |
0.000 |
15 |
|
G |
71 |
21 |
20313 |
◊ |
A |
x,y,z |
1_555 |
70 |
21 |
20287 |
549.7 |
-5.7 |
0.161 |
4 |
0 |
0 |
0.000 |
16 |
|
H |
72 |
21 |
20299 |
◊ |
B |
x,y,z |
1_555 |
66 |
20 |
20303 |
544.0 |
-5.5 |
0.160 |
4 |
0 |
0 |
0.000 |
| Average: |
573.8 |
-5.7 |
0.160 |
4 |
0 |
0 |
0.000 |
| 4 |
17 |
|
G |
56 |
16 |
20313 |
◊ |
C |
x,y,z-1 |
1_554 |
53 |
16 |
20315 |
502.2 |
8.2 |
0.968 |
4 |
0 |
0 |
0.000 |
18 |
|
F |
46 |
16 |
20326 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
20303 |
374.9 |
6.4 |
0.947 |
6 |
0 |
0 |
0.000 |
| Average: |
438.6 |
7.3 |
0.957 |
5 |
0 |
0 |
0.000 |
| 5 |
19 |
|
C |
49 |
15 |
20315 |
◊ |
D |
x-1,y,z |
1_455 |
45 |
12 |
20307 |
396.5 |
4.0 |
0.862 |
4 |
0 |
0 |
0.000 |
20 |
|
B |
45 |
14 |
20303 |
◊ |
A |
x-1,y,z |
1_455 |
46 |
12 |
20287 |
387.7 |
4.3 |
0.874 |
4 |
0 |
0 |
0.000 |
| Average: |
392.1 |
4.1 |
0.868 |
4 |
0 |
0 |
0.000 |
| 6 |
21 |
|
C |
43 |
15 |
20315 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
38 |
12 |
20307 |
357.8 |
1.3 |
0.659 |
4 |
3 |
0 |
0.000 |
22 |
|
B |
44 |
18 |
20303 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
37 |
14 |
20287 |
339.0 |
1.2 |
0.643 |
4 |
3 |
0 |
0.000 |
| Average: |
348.4 |
1.2 |
0.651 |
4 |
3 |
0 |
0.000 |
| 7 |
23 |
|
H |
33 |
10 |
20299 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
13 |
20287 |
284.8 |
2.7 |
0.772 |
4 |
0 |
0 |
0.000 |
24 |
|
E |
31 |
12 |
20307 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
13 |
20307 |
279.3 |
3.0 |
0.808 |
3 |
0 |
0 |
0.000 |
| Average: |
282.1 |
2.8 |
0.790 |
4 |
0 |
0 |
0.000 |
| 8 |
25 |
|
[BE2]E:1546 |
10 |
1 |
282 |
f |
E |
x,y,z |
1_555 |
31 |
10 |
20307 |
189.0 |
4.2 |
0.303 |
1 |
0 |
0 |
0.000 |
26 |
|
[BE2]C:1546 |
10 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
32 |
10 |
20315 |
186.6 |
4.1 |
0.288 |
1 |
0 |
0 |
0.000 |
| Average: |
187.8 |
4.2 |
0.295 |
1 |
0 |
0 |
0.000 |
| 9 |
27 |
|
[BE2]F:1546 |
10 |
1 |
280 |
f |
F |
x,y,z |
1_555 |
31 |
10 |
20326 |
188.5 |
4.1 |
0.293 |
1 |
0 |
0 |
0.000 |
28 |
|
[BE2]B:1546 |
10 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
31 |
10 |
20303 |
187.4 |
4.2 |
0.297 |
0 |
0 |
0 |
0.000 |
29 |
|
[BE2]D:1546 |
10 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
31 |
10 |
20307 |
186.3 |
4.2 |
0.299 |
1 |
0 |
0 |
0.000 |
30 |
|
[BE2]H:1546 |
10 |
1 |
279 |
f |
H |
x,y,z |
1_555 |
30 |
10 |
20299 |
185.8 |
4.2 |
0.317 |
1 |
0 |
0 |
0.000 |
31 |
|
[BE2]G:1546 |
10 |
1 |
276 |
f |
G |
x,y,z |
1_555 |
31 |
10 |
20313 |
185.8 |
4.1 |
0.327 |
1 |
0 |
0 |
0.000 |
32 |
|
[BE2]A:1546 |
10 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
20287 |
185.2 |
4.0 |
0.303 |
1 |
0 |
0 |
0.000 |
| Average: |
186.5 |
4.1 |
0.306 |
1 |
0 |
0 |
0.000 |
| 10 |
33 |
|
[BE2]F:1545 |
10 |
1 |
279 |
f |
F |
x,y,z |
1_555 |
31 |
13 |
20326 |
184.0 |
3.9 |
0.339 |
3 |
0 |
0 |
0.000 |
34 |
|
[BE2]C:1545 |
10 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
30 |
12 |
20315 |
183.1 |
4.0 |
0.347 |
3 |
0 |
0 |
0.000 |
35 |
|
[BE2]B:1545 |
10 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
31 |
13 |
20303 |
182.6 |
4.0 |
0.349 |
3 |
0 |
0 |
0.000 |
36 |
|
[BE2]H:1545 |
10 |
1 |
279 |
f |
H |
x,y,z |
1_555 |
35 |
14 |
20299 |
181.2 |
4.0 |
0.339 |
3 |
0 |
0 |
0.000 |
37 |
|
[BE2]D:1545 |
10 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
32 |
13 |
20307 |
181.2 |
3.1 |
0.259 |
3 |
0 |
0 |
0.000 |
38 |
|
[BE2]E:1545 |
10 |
1 |
280 |
f |
E |
x,y,z |
1_555 |
32 |
14 |
20307 |
180.6 |
4.0 |
0.344 |
3 |
0 |
0 |
0.000 |
39 |
|
[BE2]A:1545 |
10 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
34 |
14 |
20287 |
178.5 |
4.0 |
0.356 |
3 |
0 |
0 |
0.000 |
| Average: |
181.6 |
3.9 |
0.333 |
3 |
0 |
0 |
0.000 |
| 11 |
40 |
|
[BE2]G:1545 |
10 |
1 |
279 |
f |
G |
x,y,z |
1_555 |
31 |
12 |
20313 |
182.4 |
3.8 |
0.341 |
3 |
0 |
0 |
0.000 |
| 12 |
41 |
|
D |
25 |
8 |
20307 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
15 |
4 |
20315 |
166.4 |
0.5 |
0.617 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
22 |
7 |
20287 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
14 |
4 |
20303 |
150.3 |
0.6 |
0.625 |
0 |
0 |
0 |
0.000 |
| Average: |
158.4 |
0.6 |
0.621 |
0 |
0 |
0 |
0.000 |
| 13 |
43 |
|
F |
19 |
9 |
20326 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
17 |
7 |
20313 |
157.5 |
0.4 |
0.633 |
0 |
0 |
0 |
0.000 |
| 14 |
44 |
|
[BE2]G:1544 |
10 |
1 |
279 |
f |
G |
x,y,z |
1_555 |
31 |
12 |
20313 |
156.2 |
3.6 |
0.362 |
3 |
0 |
0 |
0.000 |
45 |
|
[BE2]B:1544 |
10 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
20303 |
156.0 |
3.7 |
0.385 |
4 |
0 |
0 |
0.000 |
46 |
|
[BE2]D:1544 |
10 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
32 |
11 |
20307 |
155.0 |
3.6 |
0.371 |
4 |
0 |
0 |
0.000 |
47 |
|
[BE2]H:1544 |
10 |
1 |
278 |
f |
H |
x,y,z |
1_555 |
31 |
11 |
20299 |
154.9 |
3.5 |
0.401 |
4 |
0 |
0 |
0.000 |
48 |
|
[BE2]E:1544 |
10 |
1 |
277 |
f |
E |
x,y,z |
1_555 |
31 |
11 |
20307 |
154.7 |
3.6 |
0.369 |
3 |
0 |
0 |
0.000 |
49 |
|
[BE2]F:1544 |
10 |
1 |
278 |
f |
F |
x,y,z |
1_555 |
30 |
11 |
20326 |
153.9 |
3.7 |
0.385 |
4 |
0 |
0 |
0.000 |
50 |
|
[BE2]A:1544 |
10 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
32 |
11 |
20287 |
153.5 |
3.6 |
0.367 |
4 |
0 |
0 |
0.000 |
51 |
|
[BE2]C:1544 |
10 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
30 |
11 |
20315 |
153.3 |
3.6 |
0.387 |
3 |
0 |
0 |
0.000 |
| Average: |
154.7 |
3.6 |
0.378 |
4 |
0 |
0 |
0.000 |
| 15 |
52 |
|
H |
15 |
3 |
20299 |
◊ |
C |
x-1,y,z-1 |
1_454 |
15 |
5 |
20315 |
130.8 |
0.8 |
0.677 |
3 |
0 |
0 |
0.000 |
53 |
|
E |
14 |
3 |
20307 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
6 |
20303 |
108.3 |
1.9 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
119.6 |
1.3 |
0.748 |
2 |
0 |
0 |
0.000 |
| 16 |
54 |
|
E |
19 |
6 |
20307 |
◊ |
F |
x-1,y,z |
1_455 |
12 |
4 |
20326 |
119.9 |
1.3 |
0.698 |
2 |
2 |
0 |
0.000 |
55 |
|
H |
16 |
5 |
20299 |
◊ |
G |
x-1,y,z |
1_455 |
12 |
4 |
20313 |
116.2 |
1.4 |
0.589 |
1 |
2 |
0 |
0.000 |
| Average: |
118.1 |
1.3 |
0.643 |
2 |
2 |
0 |
0.000 |
| 17 |
56 |
|
[NAG]E:1543 |
10 |
1 |
362 |
cf |
E |
x,y,z |
1_555 |
13 |
4 |
20307 |
105.1 |
2.4 |
0.338 |
0 |
0 |
0 |
0.000 |
57 |
|
[NAG]F:1543 |
11 |
1 |
362 |
cf |
F |
x,y,z |
1_555 |
12 |
4 |
20326 |
101.0 |
2.5 |
0.310 |
1 |
0 |
0 |
0.000 |
| Average: |
103.0 |
2.4 |
0.324 |
1 |
0 |
0 |
0.000 |
| 18 |
58 |
|
[NAG]G:1543 |
11 |
1 |
362 |
cf |
G |
x,y,z |
1_555 |
13 |
4 |
20313 |
104.0 |
2.5 |
0.322 |
1 |
0 |
0 |
0.000 |
59 |
|
[NAG]B:1543 |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
20303 |
103.7 |
2.7 |
0.360 |
0 |
0 |
0 |
0.000 |
| Average: |
103.8 |
2.6 |
0.341 |
1 |
0 |
0 |
0.000 |
| 19 |
60 |
|
[NAG]H:1543 |
10 |
1 |
362 |
cf |
H |
x,y,z |
1_555 |
14 |
5 |
20299 |
100.5 |
2.1 |
0.323 |
0 |
0 |
0 |
0.000 |
| 20 |
61 |
|
[NAG]C:1543 |
8 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
20315 |
97.4 |
2.6 |
0.439 |
0 |
0 |
0 |
0.000 |
| 21 |
62 |
|
[NAG]A:1543 |
11 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
13 |
4 |
20287 |
95.7 |
2.2 |
0.264 |
0 |
0 |
0 |
0.000 |
| 22 |
63 |
|
[NAG]D:1543 |
10 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
20307 |
93.5 |
2.3 |
0.348 |
0 |
0 |
0 |
0.000 |
| 23 |
64 |
|
E |
10 |
3 |
20307 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
20307 |
92.0 |
-1.5 |
0.168 |
1 |
0 |
0 |
0.000 |
| 24 |
65 |
|
E |
9 |
4 |
20307 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
20287 |
82.3 |
2.4 |
0.891 |
1 |
5 |
0 |
0.000 |
66 |
|
H |
9 |
4 |
20299 |
◊ |
D |
x-1,y,z-1 |
1_454 |
10 |
4 |
20307 |
73.5 |
2.1 |
0.872 |
1 |
6 |
0 |
0.000 |
| Average: |
77.9 |
2.2 |
0.881 |
1 |
6 |
0 |
0.000 |
| 25 |
67 |
|
[NAG]F:1543 |
9 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
20303 |
68.6 |
1.4 |
0.254 |
0 |
0 |
0 |
0.000 |
68 |
|
[NAG]G:1543 |
9 |
1 |
362 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
4 |
20315 |
68.0 |
1.3 |
0.259 |
0 |
0 |
0 |
0.000 |
| Average: |
68.3 |
1.3 |
0.256 |
0 |
0 |
0 |
0.000 |
| 26 |
69 |
|
[NAG]B:1543 |
9 |
1 |
359 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
20326 |
60.9 |
0.9 |
0.213 |
0 |
0 |
0 |
0.000 |
| 27 |
70 |
|
[FAD]G:526 |
13 |
1 |
1013 |
f |
[BE2]G:1544 |
x,y,z |
1_555 |
10 |
1 |
279 |
59.2 |
1.6 |
0.019 |
0 |
0 |
0 |
0.000 |
71 |
|
[FAD]D:523 |
13 |
1 |
1019 |
f |
[BE2]D:1544 |
x,y,z |
1_555 |
10 |
1 |
278 |
58.3 |
1.5 |
0.019 |
0 |
0 |
0 |
0.000 |
72 |
|
[FAD]C:522 |
13 |
1 |
1017 |
f |
[BE2]C:1544 |
x,y,z |
1_555 |
10 |
1 |
278 |
58.1 |
1.4 |
0.024 |
0 |
0 |
0 |
0.000 |
73 |
|
[FAD]H:527 |
14 |
1 |
1017 |
f |
[BE2]H:1544 |
x,y,z |
1_555 |
10 |
1 |
278 |
58.0 |
1.4 |
0.025 |
0 |
0 |
0 |
0.000 |
74 |
|
[FAD]B:521 |
14 |
1 |
1012 |
f |
[BE2]B:1544 |
x,y,z |
1_555 |
10 |
1 |
280 |
57.3 |
1.4 |
0.019 |
0 |
0 |
0 |
0.000 |
75 |
|
[FAD]F:525 |
15 |
1 |
1014 |
f |
[BE2]F:1544 |
x,y,z |
1_555 |
10 |
1 |
278 |
56.6 |
1.4 |
0.019 |
0 |
0 |
0 |
0.000 |
76 |
|
[FAD]A:520 |
13 |
1 |
1021 |
f |
[BE2]A:1544 |
x,y,z |
1_555 |
10 |
1 |
278 |
56.5 |
1.4 |
0.019 |
0 |
0 |
0 |
0.000 |
77 |
|
[FAD]E:524 |
14 |
1 |
1015 |
f |
[BE2]E:1544 |
x,y,z |
1_555 |
10 |
1 |
277 |
55.9 |
1.3 |
0.016 |
0 |
0 |
0 |
0.000 |
| Average: |
57.5 |
1.4 |
0.020 |
0 |
0 |
0 |
0.000 |
| 28 |
78 |
|
G |
7 |
3 |
20313 |
◊ |
[NAG]C:1543 |
x,y,z-1 |
1_554 |
10 |
1 |
358 |
52.7 |
0.8 |
0.156 |
0 |
0 |
0 |
0.000 |
| 29 |
79 |
|
G |
6 |
4 |
20313 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
5 |
2 |
20326 |
52.0 |
0.8 |
0.763 |
0 |
0 |
0 |
0.000 |
| 30 |
80 |
|
[BE2]F:1545 |
3 |
1 |
279 |
f |
[BE2]F:1544 |
x,y,z |
1_555 |
6 |
1 |
278 |
40.6 |
2.1 |
0.086 |
0 |
0 |
0 |
0.000 |
81 |
|
[BE2]A:1545 |
3 |
1 |
279 |
f |
[BE2]A:1544 |
x,y,z |
1_555 |
6 |
1 |
278 |
40.2 |
2.2 |
0.086 |
0 |
0 |
0 |
0.000 |
82 |
|
[BE2]D:1545 |
3 |
1 |
279 |
f |
[BE2]D:1544 |
x,y,z |
1_555 |
6 |
1 |
278 |
39.6 |
2.1 |
0.088 |
0 |
0 |
0 |
0.000 |
83 |
|
[BE2]C:1545 |
3 |
1 |
279 |
f |
[BE2]C:1544 |
x,y,z |
1_555 |
6 |
1 |
278 |
39.6 |
2.1 |
0.099 |
0 |
0 |
0 |
0.000 |
84 |
|
[BE2]E:1545 |
3 |
1 |
280 |
f |
[BE2]E:1544 |
x,y,z |
1_555 |
6 |
1 |
277 |
39.4 |
2.1 |
0.082 |
0 |
0 |
0 |
0.000 |
85 |
|
[BE2]H:1545 |
3 |
1 |
279 |
f |
[BE2]H:1544 |
x,y,z |
1_555 |
6 |
1 |
278 |
39.1 |
2.1 |
0.109 |
0 |
0 |
0 |
0.000 |
86 |
|
[BE2]B:1545 |
3 |
1 |
278 |
f |
[BE2]B:1544 |
x,y,z |
1_555 |
6 |
1 |
280 |
38.7 |
2.1 |
0.082 |
0 |
0 |
0 |
0.000 |
| Average: |
39.6 |
2.1 |
0.090 |
0 |
0 |
0 |
0.000 |
| 31 |
87 |
|
H |
5 |
3 |
20299 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
6 |
3 |
20307 |
36.1 |
0.3 |
0.588 |
0 |
0 |
0 |
0.000 |
88 |
|
E |
3 |
2 |
20307 |
◊ |
H |
-x-1,y-1/2,-z |
2_445 |
4 |
2 |
20299 |
26.5 |
0.0 |
0.442 |
0 |
0 |
0 |
0.000 |
| Average: |
31.3 |
0.2 |
0.515 |
0 |
0 |
0 |
0.000 |
| 32 |
89 |
|
[BE2]G:1545 |
4 |
1 |
279 |
f |
[BE2]G:1544 |
x,y,z |
1_555 |
6 |
1 |
279 |
34.9 |
2.2 |
0.059 |
0 |
0 |
0 |
0.000 |
| 33 |
90 |
|
[NAG]H:1543 |
6 |
1 |
362 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
1 |
20315 |
34.3 |
0.0 |
0.108 |
0 |
0 |
0 |
0.000 |
| 34 |
91 |
|
[BE2]G:1546 |
3 |
1 |
276 |
f |
[BE2]G:1545 |
x,y,z |
1_555 |
4 |
1 |
279 |
32.3 |
1.5 |
0.067 |
0 |
0 |
0 |
0.000 |
| 35 |
92 |
|
[BE2]H:1546 |
3 |
1 |
279 |
f |
[BE2]H:1545 |
x,y,z |
1_555 |
4 |
1 |
279 |
31.0 |
1.5 |
0.075 |
0 |
0 |
0 |
0.000 |
93 |
|
[BE2]E:1546 |
3 |
1 |
282 |
f |
[BE2]E:1545 |
x,y,z |
1_555 |
4 |
1 |
280 |
30.6 |
1.5 |
0.072 |
0 |
0 |
0 |
0.000 |
94 |
|
[BE2]D:1546 |
3 |
1 |
279 |
f |
[BE2]D:1545 |
x,y,z |
1_555 |
4 |
1 |
279 |
29.6 |
1.4 |
0.077 |
0 |
0 |
0 |
0.000 |
95 |
|
[BE2]B:1546 |
2 |
1 |
279 |
f |
[BE2]B:1545 |
x,y,z |
1_555 |
4 |
1 |
278 |
29.2 |
1.4 |
0.098 |
0 |
0 |
0 |
0.000 |
96 |
|
[BE2]C:1546 |
3 |
1 |
278 |
f |
[BE2]C:1545 |
x,y,z |
1_555 |
4 |
1 |
279 |
27.6 |
1.4 |
0.056 |
0 |
0 |
0 |
0.000 |
| Average: |
29.6 |
1.4 |
0.076 |
0 |
0 |
0 |
0.000 |
| 36 |
97 |
|
[BE2]A:1546 |
3 |
1 |
279 |
f |
[BE2]A:1545 |
x,y,z |
1_555 |
4 |
1 |
279 |
30.0 |
1.4 |
0.067 |
0 |
0 |
0 |
0.000 |
| 37 |
98 |
|
[BE2]F:1546 |
3 |
1 |
280 |
f |
[BE2]F:1545 |
x,y,z |
1_555 |
4 |
1 |
279 |
27.6 |
1.4 |
0.063 |
0 |
0 |
0 |
0.000 |
| 38 |
99 |
|
F |
5 |
2 |
20326 |
◊ |
[NAG]A:1543 |
x-1,y,z |
1_455 |
2 |
1 |
360 |
23.3 |
0.8 |
0.491 |
0 |
0 |
0 |
0.000 |
| 39 |
100 |
|
H |
4 |
2 |
20299 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
20287 |
22.9 |
-0.3 |
0.422 |
0 |
0 |
0 |
0.000 |
| 40 |
101 |
|
G |
4 |
2 |
20313 |
◊ |
[NAG]D:1543 |
x-1,y,z-1 |
1_454 |
2 |
1 |
360 |
14.7 |
0.6 |
0.434 |
0 |
0 |
0 |
0.000 |
|