| ## |
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 |
37 |
8 |
1861 |
◊ |
E |
x,y,z |
1_555 |
34 |
8 |
1820 |
348.4 |
-4.0 |
0.250 |
4 |
6 |
0 |
0.657 |
2 |
|
L |
34 |
8 |
1759 |
◊ |
J |
x,y,z |
1_555 |
38 |
8 |
1850 |
347.9 |
-4.3 |
0.298 |
4 |
6 |
0 |
0.657 |
3 |
|
C |
34 |
8 |
1833 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
1784 |
325.8 |
-4.0 |
0.281 |
4 |
7 |
0 |
0.657 |
4 |
|
H |
35 |
8 |
1811 |
◊ |
G |
x,y,z |
1_555 |
38 |
8 |
1771 |
322.4 |
-4.4 |
0.274 |
4 |
7 |
0 |
0.657 |
5 |
|
E |
31 |
8 |
1820 |
◊ |
D |
x,y,z |
1_555 |
32 |
8 |
1810 |
310.4 |
-2.1 |
0.393 |
6 |
7 |
0 |
0.657 |
6 |
|
B |
26 |
7 |
1784 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
1899 |
298.6 |
-3.9 |
0.253 |
3 |
5 |
0 |
0.657 |
7 |
|
L |
30 |
8 |
1759 |
◊ |
K |
x,y,z |
1_555 |
34 |
8 |
1816 |
298.6 |
-3.3 |
0.330 |
4 |
5 |
0 |
0.657 |
8 |
|
I |
28 |
8 |
1810 |
◊ |
G |
x,y,z |
1_555 |
24 |
7 |
1771 |
287.3 |
-3.8 |
0.235 |
4 |
7 |
0 |
0.657 |
9 |
|
I |
28 |
7 |
1810 |
◊ |
H |
x,y,z |
1_555 |
28 |
8 |
1811 |
286.1 |
-3.4 |
0.257 |
3 |
5 |
0 |
0.657 |
10 |
|
F |
30 |
8 |
1861 |
◊ |
D |
x,y,z |
1_555 |
27 |
7 |
1810 |
285.9 |
-3.9 |
0.233 |
3 |
5 |
0 |
0.657 |
11 |
|
C |
28 |
8 |
1833 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
1899 |
281.7 |
-3.1 |
0.233 |
3 |
5 |
0 |
0.657 |
12 |
|
K |
32 |
8 |
1816 |
◊ |
J |
x,y,z |
1_555 |
29 |
8 |
1850 |
279.0 |
-3.9 |
0.241 |
3 |
5 |
0 |
0.657 |
| Average: |
306.0 |
-3.7 |
0.273 |
4 |
6 |
0 |
0.657 |
| 2 |
13 |
|
D |
37 |
9 |
1810 |
◊ |
K |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
8 |
1816 |
302.2 |
-3.2 |
0.367 |
1 |
1 |
0 |
0.060 |
| 3 |
14 |
|
I |
32 |
7 |
1810 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
6 |
1899 |
301.1 |
-2.5 |
0.427 |
3 |
3 |
0 |
0.000 |
| 4 |
15 |
|
G |
32 |
6 |
1771 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
33 |
6 |
1820 |
276.2 |
0.7 |
0.619 |
2 |
4 |
0 |
0.000 |
16 |
|
L |
33 |
6 |
1759 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
32 |
6 |
1784 |
259.1 |
1.0 |
0.713 |
2 |
4 |
0 |
0.000 |
| Average: |
267.6 |
0.9 |
0.666 |
2 |
4 |
0 |
0.000 |
| 5 |
17 |
|
E |
24 |
5 |
1820 |
◊ |
C |
x,y,z |
1_555 |
29 |
6 |
1833 |
191.6 |
1.2 |
0.614 |
3 |
0 |
0 |
0.010 |
18 |
|
J |
25 |
4 |
1850 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
5 |
1784 |
173.1 |
-0.4 |
0.555 |
1 |
0 |
0 |
0.010 |
19 |
|
G |
22 |
5 |
1771 |
◊ |
F |
x-1,y,z |
1_455 |
25 |
4 |
1861 |
169.3 |
-0.6 |
0.518 |
0 |
0 |
0 |
0.010 |
| Average: |
178.0 |
0.1 |
0.562 |
1 |
0 |
0 |
0.010 |
| 6 |
20 |
|
L |
22 |
5 |
1759 |
◊ |
H |
x,y,z |
1_555 |
26 |
6 |
1811 |
165.4 |
0.7 |
0.662 |
2 |
0 |
0 |
0.001 |
| 7 |
21 |
|
H |
12 |
4 |
1811 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
1833 |
131.5 |
3.3 |
0.877 |
4 |
8 |
0 |
0.000 |
| 8 |
22 |
|
H |
16 |
4 |
1811 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
15 |
4 |
1861 |
130.7 |
0.5 |
0.666 |
0 |
0 |
0 |
0.000 |
23 |
|
J |
15 |
4 |
1850 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
18 |
4 |
1833 |
129.4 |
0.9 |
0.655 |
1 |
2 |
0 |
0.000 |
| Average: |
130.1 |
0.7 |
0.661 |
1 |
1 |
0 |
0.000 |
| 9 |
24 |
|
K |
15 |
3 |
1816 |
◊ |
H |
x,y,z |
1_555 |
13 |
3 |
1811 |
127.7 |
-0.2 |
0.531 |
2 |
0 |
0 |
0.018 |
25 |
|
D |
16 |
3 |
1810 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
1833 |
121.7 |
-0.1 |
0.502 |
1 |
0 |
0 |
0.018 |
26 |
|
J |
14 |
3 |
1850 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
1899 |
121.3 |
-0.2 |
0.532 |
1 |
0 |
0 |
0.018 |
27 |
|
I |
12 |
3 |
1810 |
◊ |
F |
x-1,y,z |
1_455 |
13 |
3 |
1861 |
110.3 |
-0.1 |
0.567 |
1 |
0 |
0 |
0.018 |
| Average: |
120.3 |
-0.2 |
0.533 |
1 |
0 |
0 |
0.018 |
| 10 |
28 |
|
J |
13 |
4 |
1850 |
◊ |
F |
x-1,y+1,z |
1_465 |
12 |
4 |
1861 |
111.1 |
3.1 |
0.898 |
6 |
9 |
0 |
0.000 |
| 11 |
29 |
|
[SIN]E:1 |
7 |
1 |
233 |
cf |
E |
x,y,z |
1_555 |
12 |
4 |
1820 |
104.5 |
2.0 |
0.213 |
5 |
0 |
0 |
0.119 |
30 |
|
[SIN]L:1 |
7 |
1 |
234 |
cf |
L |
x,y,z |
1_555 |
12 |
4 |
1759 |
97.6 |
1.8 |
0.245 |
5 |
0 |
0 |
0.119 |
| Average: |
101.0 |
1.9 |
0.229 |
5 |
0 |
0 |
0.119 |
| 12 |
31 |
|
D |
9 |
2 |
1810 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
3 |
1899 |
93.4 |
1.3 |
0.692 |
1 |
1 |
0 |
0.000 |
32 |
|
K |
11 |
4 |
1816 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
1899 |
89.5 |
1.4 |
0.729 |
1 |
3 |
0 |
0.000 |
33 |
|
I |
9 |
3 |
1810 |
◊ |
K |
x,y-1,z |
1_545 |
7 |
2 |
1816 |
75.7 |
0.9 |
0.686 |
1 |
1 |
0 |
0.000 |
| Average: |
86.2 |
1.2 |
0.702 |
1 |
2 |
0 |
0.000 |
| 13 |
34 |
|
I |
8 |
2 |
1810 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
1810 |
91.5 |
-0.4 |
0.554 |
1 |
1 |
0 |
0.000 |
| 14 |
35 |
|
[SIN]C:1 |
7 |
1 |
233 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
1833 |
88.8 |
1.6 |
0.222 |
5 |
0 |
0 |
0.019 |
| 15 |
36 |
|
G |
12 |
5 |
1771 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
1861 |
88.0 |
3.0 |
0.867 |
3 |
5 |
0 |
0.000 |
37 |
|
H |
9 |
3 |
1811 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
1820 |
55.7 |
1.5 |
0.776 |
1 |
1 |
0 |
0.000 |
38 |
|
L |
9 |
4 |
1759 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
9 |
3 |
1833 |
54.3 |
1.5 |
0.784 |
0 |
0 |
0 |
0.000 |
| Average: |
66.0 |
2.0 |
0.809 |
1 |
2 |
0 |
0.000 |
| 16 |
39 |
|
[SIN]F:1 |
7 |
1 |
236 |
cf |
F |
x,y,z |
1_555 |
12 |
4 |
1861 |
87.9 |
1.5 |
0.155 |
4 |
0 |
0 |
0.010 |
| 17 |
40 |
|
[SIN]H:1 |
7 |
1 |
235 |
cf |
H |
x,y,z |
1_555 |
12 |
4 |
1811 |
87.5 |
1.6 |
0.259 |
4 |
0 |
0 |
0.007 |
| 18 |
41 |
|
[SIN]K:1 |
7 |
1 |
235 |
cf |
K |
x,y,z |
1_555 |
10 |
4 |
1816 |
87.5 |
1.5 |
0.199 |
5 |
0 |
0 |
0.100 |
42 |
|
[SIN]D:1 |
7 |
1 |
235 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
1810 |
85.0 |
1.4 |
0.215 |
5 |
0 |
0 |
0.100 |
43 |
|
[SIN]A:1 |
7 |
1 |
235 |
cf |
A |
x,y,z |
1_555 |
14 |
4 |
1899 |
81.3 |
1.4 |
0.202 |
5 |
0 |
0 |
0.100 |
| Average: |
84.6 |
1.4 |
0.205 |
5 |
0 |
0 |
0.100 |
| 19 |
44 |
|
[SIN]G:1 |
7 |
1 |
236 |
cf |
G |
x,y,z |
1_555 |
13 |
4 |
1771 |
86.2 |
1.6 |
0.198 |
5 |
0 |
0 |
0.100 |
45 |
|
[SIN]B:1 |
7 |
1 |
233 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
1784 |
83.7 |
1.4 |
0.195 |
5 |
0 |
0 |
0.100 |
| Average: |
85.0 |
1.5 |
0.197 |
5 |
0 |
0 |
0.100 |
| 20 |
46 |
|
[SIN]G:1 |
6 |
1 |
236 |
◊ |
E |
x,y,z |
1_555 |
14 |
3 |
1820 |
85.3 |
2.1 |
0.348 |
1 |
0 |
0 |
0.000 |
| 21 |
47 |
|
J |
10 |
4 |
1850 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
12 |
5 |
1784 |
85.3 |
2.7 |
0.866 |
2 |
4 |
0 |
0.000 |
| 22 |
48 |
|
[SIN]J:1 |
7 |
1 |
239 |
cf |
J |
x,y,z |
1_555 |
13 |
4 |
1850 |
84.6 |
2.1 |
0.315 |
3 |
0 |
0 |
0.000 |
| 23 |
49 |
|
[SIN]I:1 |
7 |
1 |
243 |
cf |
I |
x,y,z |
1_555 |
12 |
4 |
1810 |
83.6 |
1.8 |
0.384 |
1 |
0 |
0 |
0.000 |
| 24 |
50 |
|
I |
11 |
3 |
1810 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
1820 |
78.9 |
1.1 |
0.675 |
1 |
1 |
0 |
0.000 |
| 25 |
51 |
|
[SIN]B:1 |
6 |
1 |
233 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
1759 |
75.8 |
1.8 |
0.344 |
0 |
0 |
0 |
0.000 |
| 26 |
52 |
|
[SIN]I:1 |
7 |
1 |
243 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
1820 |
72.0 |
1.9 |
0.333 |
1 |
0 |
0 |
0.000 |
| 27 |
53 |
|
[SIN]F:1 |
5 |
1 |
236 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
4 |
1784 |
70.7 |
1.6 |
0.349 |
0 |
0 |
0 |
0.000 |
| 28 |
54 |
|
L |
11 |
3 |
1759 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
1784 |
69.8 |
0.1 |
0.612 |
2 |
2 |
0 |
0.000 |
55 |
|
G |
9 |
3 |
1771 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
1820 |
68.6 |
-0.1 |
0.524 |
1 |
1 |
0 |
0.000 |
56 |
|
G |
8 |
3 |
1771 |
◊ |
L |
x,y-1,z |
1_545 |
9 |
3 |
1759 |
63.2 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
57 |
|
E |
6 |
3 |
1820 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
3 |
1784 |
41.8 |
-0.3 |
0.559 |
0 |
0 |
0 |
0.000 |
| Average: |
60.8 |
-0.1 |
0.576 |
1 |
1 |
0 |
0.000 |
| 29 |
58 |
|
[PB]F:2004 |
1 |
1 |
147 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
1861 |
68.9 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
J |
14 |
4 |
1850 |
◊ |
[PB]F:2004 |
x-1,y+1,z |
1_465 |
1 |
1 |
147 |
61.5 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
65.2 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
60 |
|
G |
12 |
4 |
1771 |
◊ |
[SIN]J:1 |
x,y-1,z |
1_545 |
6 |
1 |
239 |
68.7 |
1.2 |
0.288 |
0 |
0 |
0 |
0.000 |
| 31 |
61 |
|
G |
13 |
4 |
1771 |
◊ |
[SIN]L:1 |
x,y-1,z |
1_545 |
6 |
1 |
234 |
68.2 |
0.8 |
0.209 |
0 |
0 |
0 |
0.000 |
62 |
|
[SIN]E:1 |
5 |
1 |
233 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
1784 |
66.9 |
0.7 |
0.218 |
0 |
0 |
0 |
0.000 |
| Average: |
67.5 |
0.8 |
0.214 |
0 |
0 |
0 |
0.000 |
| 32 |
63 |
|
[SIN]C:1 |
5 |
1 |
233 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
1759 |
65.0 |
1.2 |
0.328 |
0 |
0 |
0 |
0.000 |
| 33 |
64 |
|
J |
5 |
2 |
1850 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
1811 |
63.4 |
-0.7 |
0.418 |
0 |
0 |
0 |
0.018 |
65 |
|
J |
7 |
2 |
1850 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
1833 |
57.7 |
-0.6 |
0.449 |
0 |
0 |
0 |
0.018 |
66 |
|
F |
5 |
2 |
1861 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
1833 |
57.5 |
-0.8 |
0.390 |
0 |
0 |
0 |
0.018 |
67 |
|
H |
5 |
2 |
1811 |
◊ |
F |
x-1,y,z |
1_455 |
7 |
2 |
1861 |
56.9 |
-0.7 |
0.455 |
0 |
0 |
0 |
0.018 |
| Average: |
58.9 |
-0.7 |
0.428 |
0 |
0 |
0 |
0.018 |
| 34 |
68 |
|
F |
7 |
3 |
1861 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
3 |
1784 |
62.7 |
0.7 |
0.721 |
1 |
1 |
0 |
0.000 |
69 |
|
G |
6 |
2 |
1771 |
◊ |
J |
x,y-1,z |
1_545 |
6 |
2 |
1850 |
56.6 |
0.8 |
0.739 |
1 |
2 |
0 |
0.000 |
70 |
|
L |
7 |
3 |
1759 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
1833 |
51.5 |
0.3 |
0.633 |
1 |
1 |
0 |
0.000 |
71 |
|
H |
8 |
3 |
1811 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
1820 |
43.2 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| Average: |
53.5 |
0.5 |
0.665 |
1 |
1 |
0 |
0.000 |
| 35 |
72 |
|
[PB]A:2003 |
1 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
1899 |
61.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.025 |
73 |
|
[PB]I:2006 |
1 |
1 |
147 |
f |
I |
x,y,z |
1_555 |
12 |
3 |
1810 |
47.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
54.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 36 |
74 |
|
[SO4]C:1004 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
1833 |
50.3 |
-6.5 |
0.768 |
2 |
0 |
0 |
0.256 |
75 |
|
J |
8 |
3 |
1850 |
f |
[SO4]B:1001 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
50.1 |
-6.6 |
0.800 |
2 |
0 |
0 |
0.256 |
| Average: |
50.2 |
-6.5 |
0.784 |
2 |
0 |
0 |
0.256 |
| 37 |
76 |
|
[SO4]F:1002 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
1861 |
50.2 |
-6.6 |
0.803 |
2 |
0 |
0 |
0.248 |
| 38 |
77 |
|
[SIN]I:1 |
6 |
1 |
243 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
1810 |
48.9 |
1.2 |
0.253 |
1 |
0 |
0 |
0.000 |
| 39 |
78 |
|
[SO4]I:1003 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
1811 |
48.1 |
-5.7 |
0.800 |
2 |
0 |
0 |
0.222 |
| 40 |
79 |
|
[PB]I:2006 |
1 |
1 |
147 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
1811 |
47.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
80 |
|
[PB]A:2003 |
1 |
1 |
147 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
1833 |
46.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
46.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| 41 |
81 |
|
[PB]H:2008 |
1 |
1 |
147 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
1811 |
46.5 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
|
[PB]G:2001 |
1 |
1 |
147 |
◊ |
K |
x,y-1,z |
1_545 |
7 |
2 |
1816 |
40.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
[PB]D:2002 |
1 |
1 |
147 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
1810 |
38.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
|
[PB]K:2005 |
1 |
1 |
147 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
1899 |
37.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
|
[PB]L:2009 |
1 |
1 |
147 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
1784 |
30.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
38.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
86 |
|
[SO4]C:1004 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
1810 |
45.5 |
-5.4 |
0.727 |
0 |
0 |
0 |
0.062 |
87 |
|
[SO4]B:1001 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
1899 |
35.5 |
-4.4 |
0.619 |
0 |
0 |
0 |
0.062 |
| Average: |
40.5 |
-4.9 |
0.673 |
0 |
0 |
0 |
0.062 |
| 43 |
88 |
|
[SIN]A:1 |
6 |
1 |
235 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
1816 |
43.6 |
1.7 |
0.186 |
0 |
0 |
0 |
0.000 |
89 |
|
[SIN]D:1 |
5 |
1 |
235 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
1899 |
42.0 |
1.3 |
0.261 |
0 |
0 |
0 |
0.000 |
90 |
|
I |
7 |
3 |
1810 |
◊ |
[SIN]K:1 |
x,y-1,z |
1_545 |
6 |
1 |
235 |
41.2 |
1.2 |
0.159 |
0 |
0 |
0 |
0.000 |
| Average: |
42.3 |
1.4 |
0.202 |
0 |
0 |
0 |
0.000 |
| 44 |
91 |
|
[SIN]H:1 |
5 |
1 |
235 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
1820 |
43.2 |
1.5 |
0.375 |
0 |
0 |
0 |
0.000 |
| 45 |
92 |
|
[PB]E:2007 |
1 |
1 |
147 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
1811 |
43.1 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
93 |
|
G |
7 |
2 |
1771 |
◊ |
[SIN]K:1 |
x,y-1,z |
1_545 |
4 |
1 |
235 |
41.9 |
1.5 |
0.432 |
0 |
0 |
0 |
0.000 |
94 |
|
[SIN]D:1 |
4 |
1 |
235 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
2 |
1784 |
41.9 |
1.5 |
0.437 |
0 |
0 |
0 |
0.000 |
95 |
|
[SIN]A:1 |
4 |
1 |
235 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
1759 |
33.8 |
1.3 |
0.393 |
0 |
0 |
0 |
0.000 |
| Average: |
39.2 |
1.4 |
0.421 |
0 |
0 |
0 |
0.000 |
| 47 |
96 |
|
[SO4]I:1003 |
4 |
1 |
186 |
◊ |
K |
x,y,z |
1_555 |
8 |
2 |
1816 |
41.0 |
-4.8 |
0.756 |
0 |
0 |
0 |
0.031 |
| 48 |
97 |
|
[PB]E:2007 |
1 |
1 |
147 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
1820 |
40.2 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
98 |
|
I |
6 |
2 |
1810 |
◊ |
[SO4]F:1002 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
39.3 |
-4.8 |
0.656 |
0 |
0 |
0 |
0.031 |
| 50 |
99 |
|
[PB]L:2009 |
1 |
1 |
147 |
f |
L |
x,y,z |
1_555 |
7 |
2 |
1759 |
39.2 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
100 |
|
[PB]E:2007 |
1 |
1 |
147 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
1833 |
37.0 |
0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
101 |
|
K |
3 |
1 |
1816 |
◊ |
[SO4]B:1001 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
35.0 |
-2.8 |
0.944 |
1 |
0 |
0 |
0.115 |
102 |
|
[SO4]C:1004 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
1899 |
34.9 |
-2.5 |
0.943 |
2 |
0 |
0 |
0.115 |
| Average: |
35.0 |
-2.7 |
0.944 |
2 |
0 |
0 |
0.115 |
| 53 |
103 |
|
[SO4]C:1004 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1820 |
34.6 |
-3.3 |
0.957 |
2 |
0 |
0 |
0.049 |
104 |
|
[SO4]B:1001 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
1784 |
30.1 |
-2.5 |
0.961 |
2 |
0 |
0 |
0.049 |
| Average: |
32.3 |
-2.9 |
0.959 |
2 |
0 |
0 |
0.049 |
| 54 |
105 |
|
[PB]L:2009 |
1 |
1 |
147 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
1899 |
34.3 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
106 |
|
[PB]G:2001 |
1 |
1 |
147 |
◊ |
J |
x,y-1,z |
1_545 |
8 |
2 |
1850 |
22.6 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
107 |
|
[PB]D:2002 |
1 |
1 |
147 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
1861 |
21.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
108 |
|
[PB]K:2005 |
1 |
1 |
147 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
1833 |
18.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
24.0 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
109 |
|
[SO4]I:1003 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
1810 |
33.6 |
-2.6 |
0.930 |
2 |
0 |
0 |
0.119 |
| 56 |
110 |
|
[SO4]F:1002 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1810 |
32.6 |
-2.6 |
0.944 |
1 |
0 |
0 |
0.101 |
| 57 |
111 |
|
[SO4]I:1003 |
4 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
1759 |
32.6 |
-2.7 |
0.966 |
2 |
0 |
0 |
0.023 |
| 58 |
112 |
|
[SIN]D:1 |
3 |
1 |
235 |
◊ |
[PB]D:2002 |
x,y,z |
1_555 |
1 |
1 |
147 |
32.4 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
113 |
|
[PB]G:2001 |
1 |
1 |
147 |
◊ |
[SIN]K:1 |
x,y-1,z |
1_545 |
3 |
1 |
235 |
31.8 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
114 |
|
[SIN]H:1 |
3 |
1 |
235 |
◊ |
[PB]H:2008 |
x,y,z |
1_555 |
1 |
1 |
147 |
29.8 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
115 |
|
[SIN]A:1 |
3 |
1 |
235 |
◊ |
[PB]K:2005 |
x,y,z |
1_555 |
1 |
1 |
147 |
27.0 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
[SIN]B:1 |
3 |
1 |
233 |
◊ |
[PB]L:2009 |
x,y,z |
1_555 |
1 |
1 |
147 |
13.5 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.9 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
117 |
|
[PB]K:2005 |
1 |
1 |
147 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
1816 |
30.3 |
1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
118 |
|
[PB]D:2002 |
1 |
1 |
147 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
1899 |
11.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
119 |
|
[PB]G:2001 |
1 |
1 |
147 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
1810 |
11.7 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
120 |
|
G |
2 |
1 |
1771 |
◊ |
[SO4]F:1002 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
28.7 |
-2.3 |
0.961 |
1 |
0 |
0 |
0.018 |
| 61 |
121 |
|
[PB]H:2008 |
1 |
1 |
147 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
1861 |
28.0 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
122 |
|
[SIN]L:1 |
5 |
1 |
234 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
1850 |
26.3 |
0.3 |
0.118 |
0 |
0 |
0 |
0.000 |
123 |
|
[SIN]E:1 |
4 |
1 |
233 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
1861 |
24.4 |
0.3 |
0.107 |
0 |
0 |
0 |
0.000 |
| Average: |
25.3 |
0.3 |
0.113 |
0 |
0 |
0 |
0.000 |
| 63 |
124 |
|
[SIN]J:1 |
4 |
1 |
239 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
1816 |
26.3 |
0.2 |
0.149 |
0 |
0 |
0 |
0.000 |
| 64 |
125 |
|
[SIN]F:1 |
3 |
1 |
236 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
1810 |
26.3 |
0.2 |
0.156 |
0 |
0 |
0 |
0.000 |
| 65 |
126 |
|
D |
4 |
2 |
1810 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
1811 |
25.0 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
127 |
|
C |
3 |
1 |
1833 |
◊ |
K |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
1816 |
23.6 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
| Average: |
24.3 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| 66 |
128 |
|
[SIN]C:1 |
4 |
1 |
233 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1899 |
24.8 |
0.3 |
0.089 |
0 |
0 |
0 |
0.000 |
| 67 |
129 |
|
[PB]I:2006 |
1 |
1 |
147 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
3 |
1899 |
24.3 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
130 |
|
I |
1 |
1 |
1810 |
◊ |
[PB]A:2003 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
147 |
10.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 68 |
131 |
|
[PB]A:2003 |
1 |
1 |
147 |
◊ |
K |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
1816 |
24.1 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
132 |
|
D |
3 |
1 |
1810 |
◊ |
[PB]I:2006 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
147 |
20.7 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
22.4 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 69 |
133 |
|
G |
5 |
2 |
1771 |
◊ |
K |
x,y-1,z |
1_545 |
4 |
3 |
1816 |
23.8 |
0.8 |
0.752 |
0 |
0 |
0 |
0.000 |
134 |
|
L |
4 |
1 |
1759 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
1899 |
22.9 |
0.7 |
0.779 |
0 |
0 |
0 |
0.000 |
135 |
|
D |
3 |
1 |
1810 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
1784 |
19.9 |
0.7 |
0.765 |
0 |
0 |
0 |
0.000 |
| Average: |
22.2 |
0.7 |
0.765 |
0 |
0 |
0 |
0.000 |
| 70 |
136 |
|
[PB]K:2005 |
1 |
1 |
147 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
1759 |
23.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
137 |
|
[PB]G:2001 |
1 |
1 |
147 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
1771 |
21.1 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
138 |
|
[PB]D:2002 |
1 |
1 |
147 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
1784 |
21.0 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
21.9 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 71 |
139 |
|
G |
5 |
2 |
1771 |
f |
[PB]H:2008 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
147 |
23.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 72 |
140 |
|
[SIN]B:1 |
5 |
1 |
233 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1833 |
21.1 |
0.1 |
0.058 |
0 |
0 |
0 |
0.000 |
| 73 |
141 |
|
[SIN]H:1 |
4 |
1 |
235 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
1810 |
18.9 |
0.1 |
0.126 |
0 |
0 |
0 |
0.000 |
| 74 |
142 |
|
[SIN]H:1 |
2 |
1 |
235 |
◊ |
[PB]E:2007 |
x,y,z |
1_555 |
1 |
1 |
147 |
18.4 |
0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 75 |
143 |
|
A |
1 |
1 |
1899 |
◊ |
K |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
1816 |
18.1 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
| 76 |
144 |
|
G |
3 |
1 |
1771 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
1811 |
17.2 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 77 |
145 |
|
[SIN]G:1 |
5 |
1 |
236 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
1811 |
17.2 |
0.2 |
0.079 |
0 |
0 |
0 |
0.000 |
146 |
|
[SIN]A:1 |
4 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1784 |
16.9 |
0.1 |
0.112 |
0 |
0 |
0 |
0.000 |
147 |
|
[SIN]K:1 |
2 |
1 |
235 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
1759 |
10.2 |
0.0 |
0.196 |
0 |
0 |
0 |
0.000 |
| Average: |
14.7 |
0.1 |
0.129 |
0 |
0 |
0 |
0.000 |
| 78 |
148 |
|
[PB]L:2009 |
1 |
1 |
147 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
1816 |
17.1 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 79 |
149 |
|
G |
3 |
2 |
1771 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
1833 |
16.4 |
0.8 |
0.809 |
0 |
0 |
0 |
0.000 |
150 |
|
J |
1 |
1 |
1850 |
◊ |
L |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
1759 |
4.0 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
151 |
|
H |
1 |
1 |
1811 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
1784 |
2.4 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
| Average: |
7.6 |
0.4 |
0.767 |
0 |
0 |
0 |
0.000 |
| 80 |
152 |
|
[SO4]I:1003 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
1833 |
12.5 |
-1.4 |
0.817 |
0 |
0 |
0 |
0.000 |
| 81 |
153 |
|
[SIN]F:1 |
3 |
1 |
236 |
◊ |
[PB]D:2002 |
x,y,z |
1_555 |
1 |
1 |
147 |
12.4 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
154 |
|
[SIN]A:1 |
3 |
1 |
235 |
◊ |
[PB]L:2009 |
x,y,z |
1_555 |
1 |
1 |
147 |
7.1 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
9.8 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 82 |
155 |
|
E |
2 |
1 |
1820 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
1861 |
12.1 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
| 83 |
156 |
|
[SIN]C:1 |
2 |
1 |
233 |
◊ |
[SIN]A:1 |
x,y,z |
1_555 |
2 |
1 |
235 |
11.9 |
0.6 |
0.195 |
0 |
0 |
0 |
0.000 |
| 84 |
157 |
|
[SIN]J:1 |
2 |
1 |
239 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
1833 |
11.7 |
0.0 |
0.324 |
0 |
0 |
0 |
0.000 |
| 85 |
158 |
|
F |
4 |
2 |
1861 |
◊ |
[SO4]B:1001 |
x,y-1,z |
1_545 |
2 |
1 |
187 |
11.7 |
-1.4 |
0.812 |
0 |
0 |
0 |
0.000 |
| 86 |
159 |
|
[SIN]C:1 |
3 |
1 |
233 |
◊ |
[PB]K:2005 |
x,y,z |
1_555 |
1 |
1 |
147 |
11.6 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
160 |
|
[PB]G:2001 |
1 |
1 |
147 |
◊ |
[SIN]J:1 |
x,y-1,z |
1_545 |
3 |
1 |
239 |
10.1 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
10.9 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 87 |
161 |
|
[SIN]C:1 |
2 |
1 |
233 |
◊ |
[SIN]B:1 |
x,y,z |
1_555 |
3 |
1 |
233 |
11.0 |
0.5 |
0.134 |
0 |
0 |
0 |
0.000 |
| 88 |
162 |
|
J |
4 |
2 |
1850 |
◊ |
[SO4]F:1002 |
x-1,y+1,z |
1_465 |
2 |
1 |
187 |
10.2 |
-1.3 |
0.807 |
0 |
0 |
0 |
0.000 |
| 89 |
163 |
|
K |
3 |
1 |
1816 |
◊ |
[SO4]F:1002 |
x-1,y+1,z |
1_465 |
2 |
1 |
187 |
9.6 |
-0.8 |
0.823 |
0 |
0 |
0 |
0.000 |
| 90 |
164 |
|
[SIN]F:1 |
2 |
1 |
236 |
◊ |
[SIN]D:1 |
x,y,z |
1_555 |
2 |
1 |
235 |
8.6 |
0.4 |
0.143 |
0 |
0 |
0 |
0.000 |
| 91 |
165 |
|
I |
2 |
1 |
1810 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
1850 |
8.5 |
-0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
166 |
|
F |
2 |
1 |
1861 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
1899 |
3.6 |
-0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
| Average: |
6.1 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 92 |
167 |
|
[SIN]D:1 |
2 |
1 |
235 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1820 |
8.4 |
0.0 |
0.207 |
0 |
0 |
0 |
0.000 |
| 93 |
168 |
|
[SIN]L:1 |
2 |
1 |
234 |
◊ |
[SIN]J:1 |
x,y,z |
1_555 |
2 |
1 |
239 |
8.1 |
0.4 |
0.184 |
0 |
0 |
0 |
0.000 |
| 94 |
169 |
|
[PB]G:2001 |
1 |
1 |
147 |
f |
[SO4]F:1002 |
x-1,y,z |
1_455 |
1 |
1 |
187 |
7.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| 95 |
170 |
|
[PB]D:2002 |
1 |
1 |
147 |
f |
[SO4]B:1001 |
x,y-1,z |
1_545 |
1 |
1 |
187 |
7.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.034 |
171 |
|
[SO4]I:1003 |
1 |
1 |
186 |
f |
[PB]K:2005 |
x,y,z |
1_555 |
1 |
1 |
147 |
7.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
7.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| 96 |
172 |
|
D |
3 |
1 |
1810 |
◊ |
[SO4]B:1001 |
x,y-1,z |
1_545 |
2 |
1 |
187 |
7.2 |
-0.7 |
0.805 |
0 |
0 |
0 |
0.000 |
| 97 |
173 |
|
[SIN]I:1 |
1 |
1 |
243 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
1771 |
7.2 |
-0.0 |
0.265 |
0 |
0 |
0 |
0.000 |
| 98 |
174 |
|
[SIN]K:1 |
1 |
1 |
235 |
◊ |
[SIN]J:1 |
x,y,z |
1_555 |
2 |
1 |
239 |
6.9 |
0.3 |
0.162 |
0 |
0 |
0 |
0.000 |
| 99 |
175 |
|
[PB]G:2001 |
1 |
1 |
147 |
f |
F |
x-1,y,z |
1_455 |
3 |
1 |
1861 |
6.7 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
176 |
|
J |
3 |
1 |
1850 |
f |
[PB]D:2002 |
x-1,y+1,z |
1_465 |
1 |
1 |
147 |
5.6 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
177 |
|
[PB]K:2005 |
1 |
1 |
147 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
1811 |
3.9 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
5.4 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 100 |
178 |
|
[SO4]I:1003 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1899 |
6.5 |
-0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
| 101 |
179 |
|
[SO4]C:1004 |
2 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
1811 |
6.1 |
-0.7 |
0.822 |
0 |
0 |
0 |
0.000 |
| 102 |
180 |
|
[PB]H:2008 |
1 |
1 |
147 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1820 |
5.9 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 103 |
181 |
|
[SO4]C:1004 |
1 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
1810 |
5.9 |
-0.7 |
0.724 |
0 |
0 |
0 |
0.000 |
| 104 |
182 |
|
L |
1 |
1 |
1759 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
1810 |
5.6 |
0.4 |
0.852 |
0 |
0 |
0 |
0.000 |
183 |
|
E |
1 |
1 |
1820 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1899 |
5.4 |
0.5 |
0.838 |
0 |
0 |
0 |
0.000 |
184 |
|
K |
1 |
1 |
1816 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
1784 |
3.2 |
0.4 |
0.826 |
0 |
0 |
0 |
0.000 |
185 |
|
G |
1 |
1 |
1771 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
1810 |
0.8 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
| Average: |
3.8 |
0.3 |
0.818 |
0 |
0 |
0 |
0.000 |
| 105 |
186 |
|
[PB]H:2008 |
1 |
1 |
147 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
1771 |
5.4 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 106 |
187 |
|
[PB]H:2008 |
1 |
1 |
147 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
1820 |
5.2 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 107 |
188 |
|
[SIN]H:1 |
3 |
1 |
235 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
1861 |
4.8 |
0.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| 108 |
189 |
|
G |
2 |
1 |
1771 |
◊ |
[SIN]H:1 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
235 |
4.7 |
-0.0 |
0.282 |
0 |
0 |
0 |
0.000 |
| 109 |
190 |
|
K |
1 |
1 |
1816 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
1810 |
4.1 |
0.2 |
0.813 |
0 |
0 |
0 |
0.000 |
| 110 |
191 |
|
I |
2 |
2 |
1810 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1833 |
3.9 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
| 111 |
192 |
|
[SIN]G:1 |
1 |
1 |
236 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
1861 |
3.9 |
0.3 |
0.340 |
0 |
0 |
0 |
0.000 |
| 112 |
193 |
|
B |
1 |
1 |
1784 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
1784 |
3.6 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
194 |
|
G |
1 |
1 |
1771 |
x |
G |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
1771 |
3.3 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
| Average: |
3.4 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
| 113 |
195 |
|
[SIN]I:1 |
3 |
1 |
243 |
f |
[PB]E:2007 |
x,y,z |
1_555 |
1 |
1 |
147 |
3.5 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 114 |
196 |
|
[SIN]I:1 |
1 |
1 |
243 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
1811 |
2.6 |
-0.0 |
0.308 |
0 |
0 |
0 |
0.002 |
| 115 |
197 |
|
L |
1 |
1 |
1759 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
1784 |
2.4 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
| 116 |
198 |
|
[SIN]B:1 |
1 |
1 |
233 |
◊ |
[SIN]A:1 |
x,y,z |
1_555 |
1 |
1 |
235 |
2.0 |
0.1 |
0.143 |
0 |
0 |
0 |
0.000 |
| 117 |
199 |
|
E |
1 |
1 |
1820 |
◊ |
L |
x,y-1,z |
1_545 |
1 |
1 |
1759 |
1.3 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
| 118 |
200 |
|
K |
1 |
1 |
1816 |
◊ |
F |
x-1,y+1,z |
1_465 |
1 |
1 |
1861 |
1.2 |
0.0 |
0.744 |
0 |
0 |
0 |
0.000 |
| 119 |
201 |
|
[SO4]C:1004 |
1 |
1 |
187 |
◊ |
[SIN]I:1 |
x,y,z |
1_555 |
1 |
1 |
243 |
1.0 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
| 120 |
202 |
|
[SIN]C:1 |
1 |
1 |
233 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1784 |
0.1 |
0.0 |
0.314 |
0 |
0 |
0 |
0.000 |
|