| ## |
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 |
55 |
17 |
8572 |
◊ |
B |
-y,-x,-z+1/6 |
10_555 |
56 |
17 |
8572 |
502.1 |
-1.8 |
0.595 |
8 |
0 |
0 |
0.090 |
| 2 |
2 |
|
B |
47 |
17 |
8572 |
◊ |
A |
x,y,z |
1_555 |
47 |
18 |
8507 |
461.1 |
-2.8 |
0.454 |
6 |
2 |
0 |
0.075 |
| 3 |
3 |
|
B |
49 |
14 |
8572 |
◊ |
B |
x,x-y+1,-z-1/6 |
12_564 |
50 |
14 |
8572 |
419.4 |
-1.8 |
0.575 |
2 |
0 |
0 |
0.016 |
| 4 |
4 |
|
A |
50 |
14 |
8507 |
◊ |
A |
-y,-x,-z+1/6 |
10_555 |
50 |
14 |
8507 |
403.5 |
-3.4 |
0.421 |
4 |
0 |
0 |
0.023 |
| 5 |
5 |
|
B |
23 |
10 |
8572 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
25 |
11 |
8507 |
252.5 |
-2.9 |
0.301 |
2 |
4 |
0 |
0.000 |
| 6 |
6 |
|
A |
21 |
7 |
8507 |
◊ |
A |
x,x-y+1,-z-1/6 |
12_564 |
21 |
7 |
8507 |
242.1 |
-5.3 |
0.067 |
0 |
0 |
0 |
0.037 |
| 7 |
7 |
|
[NAG]B:1101 |
14 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
23 |
7 |
8572 |
162.5 |
4.0 |
0.356 |
2 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:1101 |
12 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
23 |
7 |
8507 |
137.6 |
3.0 |
0.342 |
1 |
0 |
0 |
0.000 |
| Average: |
150.0 |
3.5 |
0.349 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[NAG]B:1114 |
13 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
20 |
6 |
8572 |
161.2 |
3.4 |
0.279 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[NAG]A:1110 |
12 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
17 |
8 |
8507 |
148.2 |
2.8 |
0.313 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[NAG]B:1112 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
17 |
8 |
8572 |
147.3 |
2.9 |
0.370 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[NAG]A:1108 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
13 |
7 |
8507 |
131.7 |
3.4 |
0.425 |
2 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:1108 |
10 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
15 |
9 |
8572 |
129.5 |
3.5 |
0.428 |
2 |
0 |
0 |
0.000 |
| Average: |
130.6 |
3.5 |
0.427 |
2 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[NAG]B:1102 |
11 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
8572 |
123.6 |
2.1 |
0.310 |
1 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:1102 |
11 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
8507 |
121.5 |
2.1 |
0.310 |
1 |
0 |
0 |
0.000 |
| Average: |
122.5 |
2.1 |
0.310 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[NAG]A:1112 |
11 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
8507 |
123.5 |
3.6 |
0.410 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
A |
11 |
3 |
8507 |
◊ |
A |
x-y,-y,-z |
8_555 |
11 |
3 |
8507 |
100.7 |
1.2 |
0.805 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[SO4]B:1117 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8572 |
100.0 |
-15.6 |
0.799 |
4 |
0 |
0 |
0.593 |
| 16 |
19 |
|
[SO4]A:1118 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8507 |
99.5 |
-16.2 |
0.750 |
5 |
0 |
0 |
0.256 |
| 17 |
20 |
|
[NAG]B:1116 |
10 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
8572 |
99.3 |
3.1 |
0.397 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NAG]A:1113 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
8507 |
94.8 |
2.9 |
0.353 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[BMA]B:1103 |
8 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8572 |
85.5 |
1.0 |
0.280 |
3 |
0 |
0 |
0.011 |
23 |
|
[BMA]A:1103 |
8 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8507 |
82.8 |
1.0 |
0.267 |
3 |
0 |
0 |
0.011 |
| Average: |
84.1 |
1.0 |
0.274 |
3 |
0 |
0 |
0.011 |
| 20 |
24 |
|
[NAG]B:1109 |
9 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
10 |
2 |
8572 |
84.3 |
2.5 |
0.406 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[BMA]B:1105 |
8 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8572 |
83.0 |
1.3 |
0.301 |
0 |
0 |
0 |
0.000 |
26 |
|
[BMA]A:1105 |
8 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
8507 |
79.1 |
1.3 |
0.297 |
0 |
0 |
0 |
0.000 |
| Average: |
81.1 |
1.3 |
0.299 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[SO4]B:1118 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8572 |
78.4 |
-11.1 |
0.933 |
5 |
0 |
0 |
0.453 |
| 23 |
28 |
|
[NAG]B:1113 |
10 |
1 |
363 |
cf |
[NAG]B:1112 |
x,y,z |
1_555 |
7 |
1 |
364 |
76.1 |
1.9 |
0.084 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[SO4]A:1116 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8507 |
75.9 |
-9.6 |
0.925 |
2 |
0 |
0 |
0.145 |
| 25 |
30 |
|
[NAG]B:1102 |
8 |
1 |
367 |
cf |
[NAG]B:1101 |
x,y,z |
1_555 |
7 |
1 |
364 |
75.5 |
1.7 |
0.100 |
1 |
0 |
0 |
0.000 |
31 |
|
[NAG]A:1102 |
10 |
1 |
364 |
cf |
[NAG]A:1101 |
x,y,z |
1_555 |
7 |
1 |
364 |
74.7 |
1.7 |
0.078 |
1 |
0 |
0 |
0.000 |
| Average: |
75.1 |
1.7 |
0.089 |
1 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[NAG]B:1112 |
7 |
1 |
364 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
5 |
2 |
8507 |
73.8 |
1.4 |
0.292 |
1 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[NAG]B:1115 |
9 |
1 |
362 |
cf |
[NAG]B:1114 |
x,y,z |
1_555 |
6 |
1 |
363 |
72.6 |
1.8 |
0.082 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[NAG]A:1111 |
10 |
1 |
364 |
cf |
[NAG]A:1110 |
x,y,z |
1_555 |
7 |
1 |
358 |
72.5 |
1.9 |
0.091 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[SO4]A:1117 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8507 |
72.3 |
-10.5 |
0.715 |
2 |
0 |
0 |
0.159 |
| 30 |
36 |
|
[NAG]B:1110 |
9 |
1 |
362 |
cf |
[NAG]B:1109 |
x,y,z |
1_555 |
6 |
1 |
357 |
71.8 |
1.7 |
0.103 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[NAG]A:1109 |
7 |
1 |
362 |
cf |
[NAG]A:1108 |
x,y,z |
1_555 |
7 |
1 |
361 |
71.7 |
2.0 |
0.130 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[MAN]A:1106 |
7 |
1 |
291 |
cf |
[BMA]A:1105 |
x,y,z |
1_555 |
7 |
1 |
296 |
69.0 |
2.6 |
0.174 |
0 |
0 |
0 |
0.000 |
39 |
|
[MAN]B:1106 |
7 |
1 |
292 |
cf |
[BMA]B:1105 |
x,y,z |
1_555 |
7 |
1 |
295 |
68.3 |
2.6 |
0.181 |
0 |
0 |
0 |
0.000 |
| Average: |
68.7 |
2.6 |
0.178 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
B |
5 |
2 |
8572 |
◊ |
[NAG]A:1110 |
x-y,-y+1,-z |
8_565 |
6 |
1 |
358 |
68.7 |
1.1 |
0.283 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[SO4]B:1120 |
5 |
1 |
185 |
◊ |
B |
-y,-x,-z+1/6 |
10_555 |
11 |
5 |
8572 |
66.1 |
-8.2 |
0.869 |
2 |
0 |
0 |
0.308 |
| 35 |
42 |
|
[FCA]B:1111 |
4 |
1 |
285 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8572 |
63.2 |
1.2 |
0.469 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[MAN]A:1104 |
7 |
1 |
292 |
cf |
[BMA]A:1107 |
x,y,z |
1_555 |
5 |
1 |
291 |
63.0 |
1.1 |
0.120 |
0 |
0 |
0 |
0.000 |
44 |
|
[MAN]B:1104 |
6 |
1 |
291 |
cf |
[BMA]B:1107 |
x,y,z |
1_555 |
6 |
1 |
291 |
62.3 |
1.1 |
0.119 |
0 |
0 |
0 |
0.000 |
| Average: |
62.7 |
1.1 |
0.120 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[SO4]B:1118 |
5 |
1 |
185 |
◊ |
B |
-y,-x,-z+1/6 |
10_555 |
8 |
3 |
8572 |
60.8 |
-7.7 |
0.475 |
0 |
0 |
0 |
0.263 |
| 38 |
46 |
|
[BMA]B:1103 |
6 |
1 |
293 |
cf |
[NAG]B:1102 |
x,y,z |
1_555 |
5 |
1 |
367 |
58.1 |
0.9 |
0.107 |
1 |
0 |
0 |
0.000 |
47 |
|
[BMA]A:1103 |
6 |
1 |
291 |
cf |
[NAG]A:1102 |
x,y,z |
1_555 |
5 |
1 |
364 |
56.7 |
0.9 |
0.107 |
1 |
0 |
0 |
0.000 |
| Average: |
57.4 |
0.9 |
0.107 |
1 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[FCA]B:1111 |
6 |
1 |
285 |
cf |
[NAG]B:1109 |
x,y,z |
1_555 |
6 |
1 |
357 |
58.0 |
2.2 |
0.205 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
[SO4]B:1119 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
8572 |
56.5 |
-6.8 |
0.812 |
1 |
0 |
0 |
0.245 |
| 41 |
50 |
|
[BMA]A:1105 |
7 |
1 |
296 |
cf |
[BMA]A:1103 |
x,y,z |
1_555 |
6 |
1 |
291 |
55.6 |
1.8 |
0.143 |
0 |
0 |
0 |
0.000 |
51 |
|
[BMA]B:1105 |
6 |
1 |
295 |
cf |
[BMA]B:1103 |
x,y,z |
1_555 |
6 |
1 |
293 |
55.0 |
1.8 |
0.151 |
0 |
0 |
0 |
0.000 |
| Average: |
55.3 |
1.8 |
0.147 |
0 |
0 |
0 |
0.000 |
| 42 |
52 |
|
[SO4]B:1120 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
8572 |
52.5 |
-6.6 |
0.865 |
1 |
0 |
0 |
0.239 |
| 43 |
53 |
|
[BMA]B:1107 |
5 |
1 |
291 |
f |
[NAG]B:1102 |
x,y,z |
1_555 |
6 |
1 |
367 |
49.3 |
2.1 |
0.232 |
0 |
0 |
0 |
0.000 |
54 |
|
[BMA]A:1107 |
5 |
1 |
291 |
f |
[NAG]A:1102 |
x,y,z |
1_555 |
6 |
1 |
364 |
48.2 |
2.1 |
0.237 |
0 |
0 |
0 |
0.000 |
| Average: |
48.7 |
2.1 |
0.234 |
0 |
0 |
0 |
0.000 |
| 44 |
55 |
|
[MAN]A:1104 |
7 |
1 |
292 |
cf |
[BMA]A:1103 |
x,y,z |
1_555 |
3 |
1 |
291 |
47.0 |
2.2 |
0.234 |
0 |
0 |
0 |
0.000 |
56 |
|
[MAN]B:1104 |
7 |
1 |
291 |
cf |
[BMA]B:1103 |
x,y,z |
1_555 |
3 |
1 |
293 |
46.5 |
2.2 |
0.243 |
0 |
0 |
0 |
0.000 |
| Average: |
46.8 |
2.2 |
0.239 |
0 |
0 |
0 |
0.000 |
| 45 |
57 |
|
[MAN]B:1104 |
6 |
1 |
291 |
f |
[NAG]B:1102 |
x,y,z |
1_555 |
6 |
1 |
367 |
44.6 |
0.9 |
0.108 |
0 |
0 |
0 |
0.000 |
58 |
|
[MAN]A:1104 |
6 |
1 |
292 |
f |
[NAG]A:1102 |
x,y,z |
1_555 |
6 |
1 |
364 |
43.8 |
0.9 |
0.102 |
0 |
0 |
0 |
0.000 |
| Average: |
44.2 |
0.9 |
0.105 |
0 |
0 |
0 |
0.000 |
| 46 |
59 |
|
[MAN]B:1106 |
4 |
1 |
292 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
8 |
3 |
8507 |
43.9 |
1.3 |
0.492 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
7 |
2 |
8572 |
◊ |
[MAN]A:1106 |
x-y,-y+1,-z |
8_565 |
3 |
1 |
291 |
41.6 |
1.1 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
42.7 |
1.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 47 |
61 |
|
[SO4]B:1120 |
4 |
1 |
185 |
f |
[SO4]B:1120 |
-y,-x,-z+1/6 |
10_555 |
4 |
1 |
185 |
43.2 |
-9.9 |
0.973 |
0 |
0 |
0 |
0.169 |
| 48 |
62 |
|
[MAN]B:1104 |
6 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
7 |
1 |
8572 |
43.0 |
0.6 |
0.266 |
0 |
0 |
0 |
0.000 |
63 |
|
[MAN]A:1104 |
6 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
8507 |
41.7 |
0.6 |
0.248 |
0 |
0 |
0 |
0.000 |
| Average: |
42.4 |
0.6 |
0.257 |
0 |
0 |
0 |
0.000 |
| 49 |
64 |
|
[NAG]B:1109 |
5 |
1 |
357 |
◊ |
B |
-y,-x,-z+1/6 |
10_555 |
5 |
2 |
8572 |
42.7 |
0.8 |
0.295 |
0 |
0 |
0 |
0.000 |
| 50 |
65 |
|
[NAG]B:1110 |
2 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
8572 |
42.5 |
1.4 |
0.646 |
0 |
0 |
0 |
0.000 |
| 51 |
66 |
|
[ZN]A:1115 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
8507 |
40.4 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.243 |
| 52 |
67 |
|
[BMA]B:1105 |
6 |
1 |
295 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
5 |
2 |
8507 |
37.1 |
0.3 |
0.230 |
0 |
0 |
0 |
0.000 |
68 |
|
B |
3 |
1 |
8572 |
◊ |
[BMA]A:1105 |
x-y,-y+1,-z |
8_565 |
6 |
1 |
296 |
26.4 |
-0.2 |
0.095 |
0 |
0 |
0 |
0.000 |
| Average: |
31.7 |
0.0 |
0.163 |
0 |
0 |
0 |
0.000 |
| 53 |
69 |
|
[ZN]A:1114 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
8507 |
36.8 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.327 |
| 54 |
70 |
|
[NAG]B:1113 |
3 |
1 |
363 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
4 |
2 |
8507 |
36.3 |
-0.1 |
0.221 |
0 |
0 |
0 |
0.000 |
71 |
|
B |
4 |
2 |
8572 |
◊ |
[NAG]A:1111 |
x-y,-y+1,-z |
8_565 |
3 |
1 |
364 |
18.1 |
-0.1 |
0.295 |
0 |
0 |
0 |
0.000 |
| Average: |
27.2 |
-0.1 |
0.258 |
0 |
0 |
0 |
0.000 |
| 55 |
72 |
|
[SO4]A:1118 |
4 |
1 |
184 |
f |
[ZN]A:1114 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.263 |
| 56 |
73 |
|
[SO4]A:1116 |
4 |
1 |
188 |
◊ |
A |
x,x-y+1,-z-1/6 |
12_564 |
4 |
2 |
8507 |
29.3 |
-3.6 |
0.537 |
0 |
0 |
0 |
0.050 |
| 57 |
74 |
|
[FCA]B:1111 |
5 |
1 |
285 |
f |
[NAG]B:1110 |
x,y,z |
1_555 |
5 |
1 |
362 |
29.2 |
1.7 |
0.201 |
0 |
0 |
0 |
0.000 |
| 58 |
75 |
|
[MAN]B:1106 |
3 |
1 |
292 |
f |
[BMA]B:1103 |
x,y,z |
1_555 |
3 |
1 |
293 |
23.8 |
0.2 |
0.142 |
0 |
0 |
0 |
0.000 |
76 |
|
[MAN]A:1106 |
3 |
1 |
291 |
f |
[BMA]A:1103 |
x,y,z |
1_555 |
3 |
1 |
291 |
23.6 |
0.2 |
0.137 |
0 |
0 |
0 |
0.000 |
| Average: |
23.7 |
0.2 |
0.139 |
0 |
0 |
0 |
0.000 |
| 59 |
77 |
|
[ZN]A:1115 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
8572 |
21.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.116 |
| 60 |
78 |
|
[NAG]B:1115 |
4 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8572 |
18.7 |
0.2 |
0.167 |
0 |
0 |
0 |
0.000 |
| 61 |
79 |
|
[NAG]B:1112 |
3 |
1 |
364 |
◊ |
[NAG]A:1110 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
358 |
16.7 |
1.0 |
0.434 |
0 |
0 |
0 |
0.000 |
| 62 |
80 |
|
[BMA]A:1107 |
2 |
1 |
291 |
f |
[BMA]A:1103 |
x,y,z |
1_555 |
4 |
1 |
291 |
16.5 |
0.5 |
0.170 |
0 |
0 |
0 |
0.000 |
81 |
|
[BMA]B:1107 |
2 |
1 |
291 |
f |
[BMA]B:1103 |
x,y,z |
1_555 |
4 |
1 |
293 |
15.8 |
0.5 |
0.170 |
0 |
0 |
0 |
0.000 |
| Average: |
16.1 |
0.5 |
0.170 |
0 |
0 |
0 |
0.000 |
| 63 |
82 |
|
[SO4]B:1119 |
1 |
1 |
186 |
f |
[SO4]B:1117 |
x,y,z |
1_555 |
3 |
1 |
185 |
15.3 |
-3.6 |
0.891 |
0 |
0 |
0 |
0.124 |
| 64 |
83 |
|
[BMA]A:1107 |
3 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8572 |
12.9 |
0.6 |
0.510 |
0 |
0 |
0 |
0.000 |
| 65 |
84 |
|
[NAG]A:1111 |
1 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
8507 |
10.5 |
0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
85 |
|
[NAG]B:1113 |
1 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
8572 |
8.5 |
0.4 |
0.716 |
0 |
0 |
0 |
0.000 |
| Average: |
9.5 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
| 66 |
86 |
|
[SO4]B:1119 |
1 |
1 |
186 |
f |
[SO4]B:1118 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.8 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.064 |
| 67 |
87 |
|
[BMA]B:1107 |
1 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8572 |
5.2 |
0.1 |
0.248 |
0 |
0 |
0 |
0.000 |
88 |
|
[BMA]A:1107 |
1 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
8507 |
4.9 |
0.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| Average: |
5.0 |
0.1 |
0.250 |
0 |
0 |
0 |
0.000 |
| 68 |
89 |
|
[NAG]B:1113 |
1 |
1 |
363 |
◊ |
[MAN]A:1106 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
291 |
5.2 |
-0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
| 69 |
90 |
|
[SO4]B:1120 |
1 |
1 |
185 |
◊ |
[SO4]B:1118 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.0 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.041 |
| 70 |
91 |
|
[SO4]B:1119 |
1 |
1 |
186 |
◊ |
B |
-y,-x,-z+1/6 |
10_555 |
1 |
1 |
8572 |
3.3 |
-0.5 |
0.632 |
0 |
0 |
0 |
0.015 |
| 71 |
92 |
|
[NAG]A:1102 |
1 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8572 |
3.2 |
0.2 |
0.445 |
0 |
0 |
0 |
0.000 |
| 72 |
93 |
|
[BMA]B:1107 |
1 |
1 |
291 |
f |
[NAG]B:1101 |
x,y,z |
1_555 |
1 |
1 |
364 |
3.2 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
94 |
|
[BMA]A:1107 |
1 |
1 |
291 |
f |
[NAG]A:1101 |
x,y,z |
1_555 |
1 |
1 |
364 |
3.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 73 |
95 |
|
[BMA]B:1105 |
1 |
1 |
295 |
f |
[NAG]B:1102 |
x,y,z |
1_555 |
1 |
1 |
367 |
1.4 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
96 |
|
[BMA]A:1105 |
1 |
1 |
296 |
f |
[NAG]A:1102 |
x,y,z |
1_555 |
1 |
1 |
364 |
1.1 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
1.2 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 74 |
97 |
|
[NAG]B:1113 |
1 |
1 |
363 |
◊ |
[NAG]A:1102 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
364 |
0.5 |
0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
| 75 |
98 |
|
[NAG]B:1102 |
1 |
1 |
367 |
◊ |
[NAG]A:1111 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
364 |
0.2 |
0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
|