## |
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 |
|
B |
85 |
27 |
13442 |
◊ |
A |
x,y,z |
1_555 |
83 |
28 |
16024 |
809.4 |
-20.2 |
0.092 |
3 |
1 |
0 |
0.091 |
2 |
2 |
|
[RET]A:1296 |
19 |
1 |
552 |
cf |
A |
x,y,z |
1_555 |
63 |
26 |
16024 |
399.2 |
-1.7 |
0.674 |
0 |
0 |
0 |
0.014 |
3 |
|
[RET]B:1296 |
19 |
1 |
553 |
cf |
B |
x,y,z |
1_555 |
62 |
27 |
13442 |
398.8 |
-1.6 |
0.672 |
0 |
0 |
0 |
0.014 |
Average: |
399.0 |
-1.7 |
0.673 |
0 |
0 |
0 |
0.014 |
3 |
4 |
|
A |
36 |
11 |
16024 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
36 |
11 |
13442 |
334.8 |
-4.7 |
0.669 |
2 |
0 |
0 |
0.023 |
4 |
5 |
|
[BNG]A:1504 |
19 |
1 |
546 |
◊ |
A |
x,y,z |
1_555 |
41 |
18 |
16024 |
282.2 |
3.5 |
0.328 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
26 |
8 |
16024 |
x |
A |
-y+1,x,z+1/4 |
3_655 |
29 |
12 |
16024 |
261.7 |
-2.0 |
0.808 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[BNG]A:1500 |
20 |
1 |
557 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
16024 |
251.4 |
3.6 |
0.358 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[BNG]A:1505 |
18 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
16024 |
226.9 |
2.7 |
0.273 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[PLM]A:1322 |
17 |
1 |
551 |
cf |
A |
x,y,z |
1_555 |
26 |
9 |
16024 |
212.3 |
-2.4 |
0.132 |
0 |
0 |
0 |
0.010 |
9 |
10 |
|
[BNG]B:1506 |
19 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
13442 |
209.7 |
3.2 |
0.325 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[BNG]A:1503 |
18 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
16024 |
205.3 |
3.1 |
0.346 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[HTO]A:1404 |
10 |
1 |
329 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
16024 |
201.8 |
4.8 |
0.242 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
[BNG]A:1501 |
17 |
1 |
562 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
16024 |
199.1 |
3.3 |
0.288 |
3 |
0 |
0 |
0.000 |
13 |
14 |
|
[BNG]A:1500 |
15 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
13442 |
175.2 |
1.8 |
0.268 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[PLM]B:1322 |
13 |
1 |
555 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
13442 |
158.8 |
-0.6 |
0.185 |
0 |
0 |
0 |
0.003 |
15 |
16 |
|
[PLM]B:1322 |
12 |
1 |
555 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
16024 |
158.6 |
-2.6 |
0.142 |
0 |
0 |
0 |
0.011 |
16 |
17 |
|
[HTO]A:1400 |
10 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
16024 |
157.8 |
2.5 |
0.039 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[HTO]A:1403 |
10 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
16024 |
146.7 |
1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[PLM]A:1323 |
9 |
1 |
558 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
13442 |
144.6 |
-3.3 |
0.148 |
0 |
0 |
0 |
0.014 |
19 |
20 |
|
[HTO]B:1406 |
9 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
13442 |
144.2 |
3.1 |
0.186 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[NAG]A:505 |
13 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
15 |
8 |
16024 |
137.0 |
3.2 |
0.374 |
1 |
0 |
0 |
0.000 |
21 |
22 |
|
[HTO]A:1405 |
9 |
1 |
329 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
13442 |
135.2 |
1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[NAG]B:605 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
16 |
8 |
13442 |
132.3 |
3.1 |
0.429 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[NAG]A:705 |
11 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
16024 |
132.2 |
2.4 |
0.378 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[NAG]B:805 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
15 |
5 |
13442 |
131.1 |
3.1 |
0.501 |
2 |
0 |
0 |
0.000 |
25 |
26 |
|
[PLM]A:1322 |
12 |
1 |
551 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
13442 |
128.1 |
-1.9 |
0.107 |
0 |
0 |
0 |
0.008 |
26 |
27 |
|
[HTO]B:1401 |
9 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13442 |
126.1 |
2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[BNG]B:1502 |
15 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
13442 |
119.1 |
-0.3 |
0.097 |
0 |
0 |
0 |
0.001 |
28 |
29 |
|
[HTO]B:1401 |
10 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
16024 |
118.6 |
1.4 |
0.811 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[HTO]A:1405 |
7 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
16024 |
106.1 |
1.1 |
0.037 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[BNG]B:1502 |
11 |
1 |
558 |
f |
[BNG]A:1501 |
x,y,z |
1_555 |
11 |
1 |
562 |
93.2 |
3.2 |
0.081 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[NAG]A:504 |
9 |
1 |
360 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
11 |
3 |
13442 |
90.9 |
0.5 |
0.259 |
1 |
0 |
0 |
0.000 |
32 |
33 |
|
A |
11 |
3 |
16024 |
◊ |
[NAG]B:604 |
-x+1,-y,z-1/2 |
2_654 |
7 |
1 |
363 |
90.7 |
1.4 |
0.406 |
1 |
0 |
0 |
0.000 |
33 |
34 |
|
[NAG]B:605 |
9 |
1 |
359 |
cf |
[NAG]B:604 |
x,y,z |
1_555 |
8 |
1 |
363 |
88.1 |
2.4 |
0.096 |
2 |
0 |
0 |
0.000 |
34 |
35 |
|
[HG]A:903 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
16024 |
84.1 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.228 |
36 |
|
[HG]B:904 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
13442 |
82.1 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.228 |
Average: |
83.1 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.228 |
35 |
37 |
|
[BNG]A:1501 |
10 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
13442 |
81.1 |
0.8 |
0.256 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[HG]A:905 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16024 |
79.0 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.213 |
39 |
|
[HG]B:906 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
13442 |
72.9 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.213 |
Average: |
75.9 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.213 |
37 |
40 |
|
A |
9 |
3 |
16024 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
8 |
3 |
13442 |
78.3 |
-0.5 |
0.581 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[NAG]A:705 |
6 |
1 |
357 |
cf |
[NAG]A:704 |
x,y,z |
1_555 |
8 |
1 |
349 |
78.1 |
2.0 |
0.121 |
1 |
0 |
0 |
0.000 |
39 |
42 |
|
[HG]B:902 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
13442 |
75.0 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.207 |
43 |
|
[HG]A:901 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16024 |
74.6 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.207 |
Average: |
74.8 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.207 |
40 |
44 |
|
[PLM]A:1323 |
5 |
1 |
558 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
16024 |
74.5 |
1.1 |
0.308 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[NAG]A:505 |
6 |
1 |
356 |
cf |
[NAG]A:504 |
x,y,z |
1_555 |
9 |
1 |
360 |
73.5 |
2.3 |
0.133 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[NAG]A:504 |
6 |
1 |
360 |
cf |
[MAN]A:503 |
x,y,z |
1_555 |
6 |
1 |
293 |
70.2 |
1.8 |
0.166 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[NAG]B:805 |
6 |
1 |
360 |
cf |
[NAG]B:804 |
x,y,z |
1_555 |
7 |
1 |
355 |
67.4 |
1.4 |
0.099 |
1 |
0 |
0 |
0.000 |
44 |
48 |
|
[HTO]A:1405 |
6 |
1 |
329 |
f |
[PLM]A:1322 |
x,y,z |
1_555 |
8 |
1 |
551 |
66.0 |
3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[BNG]A:1501 |
6 |
1 |
562 |
f |
[BNG]A:1500 |
x,y,z |
1_555 |
7 |
1 |
557 |
65.6 |
1.4 |
0.115 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
16024 |
62.8 |
-0.3 |
0.880 |
1 |
0 |
0 |
0.003 |
47 |
51 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
11 |
3 |
13442 |
61.7 |
-0.2 |
0.886 |
1 |
0 |
0 |
0.003 |
48 |
52 |
|
[HTO]A:1400 |
8 |
1 |
329 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13442 |
60.8 |
0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
A |
11 |
4 |
16024 |
◊ |
[NAG]B:605 |
-x+1,-y,z-1/2 |
2_654 |
6 |
1 |
359 |
60.2 |
0.9 |
0.390 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[NAG]A:505 |
7 |
1 |
356 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
10 |
4 |
13442 |
59.3 |
0.9 |
0.319 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[PLM]A:1323 |
5 |
1 |
558 |
f |
[PLM]A:1322 |
x,y,z |
1_555 |
6 |
1 |
551 |
58.9 |
3.4 |
0.519 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[BMA]B:603 |
7 |
1 |
293 |
cf |
[NAG]B:604 |
x,y,z |
1_555 |
4 |
1 |
363 |
58.6 |
0.9 |
0.103 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[ZN]B:956 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13442 |
52.6 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.120 |
54 |
58 |
|
[BMA]B:603 |
5 |
1 |
293 |
cf |
[BMA]B:602 |
x,y,z |
1_555 |
4 |
1 |
290 |
51.7 |
2.3 |
0.289 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[NAG]A:705 |
5 |
1 |
357 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
7 |
3 |
13442 |
48.5 |
1.3 |
0.466 |
0 |
0 |
0 |
0.000 |
56 |
60 |
|
[MAN]A:503 |
5 |
1 |
293 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
3 |
1 |
13442 |
44.1 |
0.4 |
0.328 |
1 |
0 |
0 |
0.000 |
57 |
61 |
|
A |
6 |
3 |
16024 |
◊ |
[NAG]B:805 |
-x+1,-y,z-1/2 |
2_654 |
5 |
1 |
360 |
44.0 |
0.5 |
0.375 |
0 |
0 |
0 |
0.000 |
58 |
62 |
|
[NAG]B:604 |
5 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
13442 |
43.9 |
0.7 |
0.380 |
0 |
0 |
0 |
0.000 |
59 |
63 |
|
[ZN]A:959 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16024 |
41.6 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.109 |
60 |
64 |
|
[NAG]A:505 |
4 |
1 |
356 |
◊ |
[NAG]B:605 |
-x+1,-y,z-1/2 |
2_654 |
5 |
1 |
359 |
38.4 |
0.5 |
0.113 |
1 |
0 |
0 |
0.000 |
61 |
65 |
|
[ZN]B:958 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
13442 |
36.6 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.213 |
66 |
|
[ZN]A:957 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
16024 |
36.0 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.213 |
Average: |
36.3 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.213 |
62 |
67 |
|
[NAG]A:504 |
5 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
16024 |
35.9 |
0.5 |
0.405 |
0 |
0 |
0 |
0.000 |
63 |
68 |
|
[BNG]B:1502 |
4 |
1 |
558 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16024 |
35.6 |
0.2 |
0.162 |
0 |
0 |
0 |
0.000 |
64 |
69 |
|
A |
2 |
1 |
16024 |
◊ |
[BMA]B:603 |
-x+1,-y,z-1/2 |
2_654 |
3 |
1 |
293 |
34.8 |
0.9 |
0.514 |
0 |
0 |
0 |
0.000 |
65 |
70 |
|
[ACE]A:0 |
3 |
1 |
172 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
3 |
1 |
13442 |
34.8 |
-1.0 |
0.445 |
0 |
0 |
0 |
0.004 |
66 |
71 |
|
A |
3 |
1 |
16024 |
c |
[ZN]B:958 |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
98 |
33.6 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.110 |
72 |
|
[ZN]A:957 |
1 |
1 |
98 |
c |
B |
-x+1,-y,z-1/2 |
2_654 |
3 |
1 |
13442 |
30.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
31.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.110 |
67 |
73 |
|
[NAG]A:704 |
2 |
1 |
349 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
16024 |
33.2 |
0.8 |
0.592 |
0 |
0 |
0 |
0.000 |
68 |
74 |
|
[BMA]B:602 |
2 |
1 |
290 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
5 |
3 |
13442 |
33.1 |
0.5 |
0.502 |
0 |
0 |
0 |
0.000 |
69 |
75 |
|
[HTO]B:1406 |
7 |
1 |
329 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16024 |
30.8 |
0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
70 |
76 |
|
A |
3 |
1 |
16024 |
◊ |
[ACE]B:0 |
-x+1,-y,z-1/2 |
2_654 |
3 |
1 |
171 |
30.8 |
-0.9 |
0.471 |
0 |
0 |
0 |
0.004 |
71 |
77 |
|
[ZN]A:959 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13442 |
30.2 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.057 |
72 |
78 |
|
[HTO]A:1404 |
3 |
1 |
329 |
◊ |
[BNG]A:1504 |
x,y,z |
1_555 |
3 |
1 |
546 |
26.2 |
1.3 |
0.561 |
0 |
0 |
0 |
0.000 |
73 |
79 |
|
[NAG]A:704 |
2 |
1 |
349 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
3 |
1 |
13442 |
25.2 |
0.7 |
0.545 |
1 |
0 |
0 |
0.000 |
74 |
80 |
|
[NAG]B:805 |
4 |
1 |
360 |
f |
[ACE]B:0 |
x,y,z |
1_555 |
2 |
1 |
171 |
22.5 |
0.7 |
0.457 |
0 |
0 |
0 |
0.000 |
75 |
81 |
|
[NAG]A:705 |
3 |
1 |
357 |
◊ |
[ZN]B:956 |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
98 |
20.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.034 |
76 |
82 |
|
A |
3 |
1 |
16024 |
◊ |
[NAG]B:804 |
-x+1,-y,z-1/2 |
2_654 |
2 |
1 |
355 |
20.2 |
0.4 |
0.418 |
1 |
0 |
0 |
0.000 |
77 |
83 |
|
[BNG]A:1503 |
3 |
1 |
559 |
f |
[NAG]A:704 |
x,y,z |
1_555 |
3 |
1 |
349 |
19.4 |
0.3 |
0.153 |
0 |
0 |
0 |
0.000 |
78 |
84 |
|
[NAG]A:705 |
4 |
1 |
357 |
f |
[ACE]A:0 |
x,y,z |
1_555 |
2 |
1 |
172 |
13.9 |
0.4 |
0.378 |
0 |
0 |
0 |
0.000 |
79 |
85 |
|
A |
3 |
2 |
16024 |
◊ |
[MAN]A:503 |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
293 |
11.1 |
-0.0 |
0.387 |
0 |
0 |
0 |
0.000 |
80 |
86 |
|
[BMA]B:602 |
3 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
13442 |
10.1 |
0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
81 |
87 |
|
[BNG]A:1505 |
3 |
1 |
555 |
f |
[BNG]A:1503 |
x,y,z |
1_555 |
2 |
1 |
559 |
9.1 |
0.4 |
0.225 |
0 |
0 |
0 |
0.000 |
82 |
88 |
|
[NAG]A:504 |
3 |
1 |
360 |
◊ |
[NAG]B:605 |
-x+1,-y,z-1/2 |
2_654 |
2 |
1 |
359 |
8.9 |
0.4 |
0.216 |
0 |
0 |
0 |
0.000 |
83 |
89 |
|
[BNG]A:1504 |
1 |
1 |
546 |
f |
A |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
16024 |
8.0 |
0.2 |
0.455 |
0 |
0 |
0 |
0.000 |
84 |
90 |
|
[NAG]A:505 |
2 |
1 |
356 |
◊ |
[NAG]B:604 |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
363 |
7.7 |
0.4 |
0.241 |
0 |
0 |
0 |
0.000 |
85 |
91 |
|
[PLM]B:1322 |
1 |
1 |
555 |
◊ |
[PLM]A:1322 |
x,y,z |
1_555 |
1 |
1 |
551 |
6.5 |
-0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
86 |
92 |
|
[NAG]B:804 |
1 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
13442 |
5.3 |
0.1 |
0.350 |
0 |
0 |
0 |
0.000 |
87 |
93 |
|
[HTO]A:1404 |
1 |
1 |
329 |
f |
[BNG]A:1500 |
x,y,z |
1_555 |
1 |
1 |
557 |
3.8 |
0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
88 |
94 |
|
[HTO]A:1400 |
1 |
1 |
329 |
◊ |
[BNG]B:1502 |
x,y,z |
1_555 |
1 |
1 |
558 |
3.1 |
-0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
89 |
95 |
|
A |
2 |
1 |
16024 |
◊ |
[ZN]B:956 |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
98 |
2.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
90 |
96 |
|
[HTO]A:1400 |
1 |
1 |
329 |
f |
[HG]A:901 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
91 |
97 |
|
A |
1 |
1 |
16024 |
◊ |
[BMA]B:602 |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
290 |
1.6 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
92 |
98 |
|
[HTO]B:1406 |
1 |
1 |
329 |
f |
[HG]B:902 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
93 |
99 |
|
[HG]A:901 |
1 |
1 |
137 |
◊ |
[BNG]B:1502 |
x,y,z |
1_555 |
1 |
1 |
558 |
0.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
94 |
100 |
|
[BNG]B:1502 |
1 |
1 |
558 |
f |
[BNG]A:1500 |
x,y,z |
1_555 |
1 |
1 |
557 |
0.8 |
-0.0 |
0.190 |
0 |
0 |
0 |
0.000 |
95 |
101 |
|
[MAN]A:503 |
1 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
16024 |
0.5 |
0.0 |
0.376 |
0 |
0 |
0 |
0.000 |
96 |
102 |
|
[HTO]B:1406 |
1 |
1 |
329 |
◊ |
[HTO]A:1400 |
x,y,z |
1_555 |
1 |
1 |
329 |
0.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|