| ## |
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 |
|
T |
731 |
145 |
31934 |
◊ |
S |
x,y,z |
1_555 |
741 |
145 |
31976 |
6755.4 |
-78.1 |
0.971 |
414 |
0 |
0 |
1.000 |
2 |
|
J |
724 |
145 |
31988 |
◊ |
I |
x,y,z |
1_555 |
725 |
145 |
31937 |
6730.5 |
-80.3 |
0.963 |
415 |
0 |
0 |
1.000 |
| Average: |
6742.9 |
-79.2 |
0.967 |
415 |
0 |
0 |
1.000 |
| 2 |
3 |
|
d |
296 |
66 |
9420 |
◊ |
Z |
x,y,z |
1_555 |
361 |
100 |
25686 |
3124.2 |
-32.1 |
0.294 |
35 |
1 |
0 |
0.742 |
4 |
|
Y |
290 |
64 |
8621 |
◊ |
U |
x,y,z |
1_555 |
363 |
104 |
25242 |
3119.3 |
-31.8 |
0.301 |
37 |
2 |
0 |
0.742 |
5 |
|
i |
293 |
66 |
9405 |
◊ |
e |
x,y,z |
1_555 |
358 |
100 |
26138 |
3113.7 |
-31.9 |
0.295 |
39 |
3 |
0 |
0.742 |
6 |
|
n |
286 |
63 |
9012 |
◊ |
j |
x,y,z |
1_555 |
348 |
99 |
25137 |
3014.5 |
-30.7 |
0.262 |
41 |
2 |
0 |
0.742 |
| Average: |
3092.9 |
-31.6 |
0.288 |
38 |
2 |
0 |
0.742 |
| 3 |
7 |
|
L |
239 |
57 |
7143 |
◊ |
K |
x,y,z |
1_555 |
255 |
62 |
8727 |
2535.4 |
-41.9 |
0.069 |
23 |
1 |
0 |
1.000 |
8 |
|
B |
238 |
57 |
7265 |
◊ |
A |
x,y,z |
1_555 |
257 |
62 |
8701 |
2534.8 |
-41.9 |
0.073 |
20 |
2 |
0 |
1.000 |
9 |
|
P |
220 |
50 |
6586 |
◊ |
O |
x,y,z |
1_555 |
243 |
61 |
8766 |
2361.0 |
-36.2 |
0.109 |
15 |
2 |
0 |
1.000 |
10 |
|
F |
218 |
50 |
6622 |
◊ |
E |
x,y,z |
1_555 |
243 |
60 |
8769 |
2333.1 |
-39.0 |
0.065 |
21 |
1 |
0 |
1.000 |
| Average: |
2441.1 |
-39.7 |
0.079 |
20 |
2 |
0 |
1.000 |
| 4 |
11 |
|
N |
250 |
61 |
8223 |
◊ |
M |
x,y,z |
1_555 |
241 |
58 |
8673 |
2459.0 |
-45.8 |
0.031 |
20 |
10 |
0 |
1.000 |
12 |
|
R |
241 |
59 |
8031 |
◊ |
Q |
x,y,z |
1_555 |
252 |
60 |
8900 |
2436.6 |
-46.1 |
0.031 |
13 |
5 |
0 |
1.000 |
13 |
|
D |
249 |
61 |
8156 |
◊ |
C |
x,y,z |
1_555 |
250 |
59 |
8731 |
2435.6 |
-45.1 |
0.034 |
19 |
10 |
0 |
1.000 |
14 |
|
H |
229 |
59 |
7885 |
◊ |
G |
x,y,z |
1_555 |
238 |
59 |
9027 |
2329.7 |
-42.1 |
0.037 |
12 |
7 |
0 |
1.000 |
| Average: |
2415.2 |
-44.8 |
0.033 |
16 |
8 |
0 |
1.000 |
| 5 |
15 |
|
g |
215 |
53 |
8490 |
◊ |
e |
x,y,z |
1_555 |
214 |
66 |
26138 |
2046.8 |
-23.6 |
0.153 |
24 |
3 |
0 |
0.434 |
16 |
|
W |
208 |
52 |
8373 |
◊ |
U |
x,y,z |
1_555 |
219 |
65 |
25242 |
2039.9 |
-23.1 |
0.143 |
25 |
3 |
0 |
0.434 |
17 |
|
l |
211 |
52 |
8679 |
◊ |
j |
x,y,z |
1_555 |
212 |
68 |
25137 |
1985.4 |
-22.3 |
0.151 |
24 |
3 |
0 |
0.434 |
18 |
|
b |
202 |
53 |
8353 |
◊ |
Z |
x,y,z |
1_555 |
205 |
65 |
25686 |
1970.7 |
-23.2 |
0.125 |
21 |
4 |
0 |
0.434 |
| Average: |
2010.7 |
-23.0 |
0.143 |
24 |
3 |
0 |
0.434 |
| 6 |
19 |
|
h |
163 |
38 |
4691 |
◊ |
e |
x,y,z |
1_555 |
219 |
60 |
26138 |
1751.4 |
-9.3 |
0.364 |
29 |
7 |
0 |
1.000 |
20 |
|
X |
160 |
37 |
4811 |
◊ |
U |
x,y,z |
1_555 |
211 |
59 |
25242 |
1685.6 |
-6.2 |
0.395 |
23 |
8 |
0 |
1.000 |
21 |
|
m |
159 |
37 |
4698 |
◊ |
j |
x,y,z |
1_555 |
206 |
55 |
25137 |
1681.7 |
-7.4 |
0.331 |
26 |
8 |
0 |
1.000 |
22 |
|
c |
155 |
37 |
4661 |
◊ |
Z |
x,y,z |
1_555 |
197 |
54 |
25686 |
1607.1 |
-6.0 |
0.455 |
29 |
7 |
0 |
1.000 |
| Average: |
1681.5 |
-7.2 |
0.386 |
27 |
8 |
0 |
1.000 |
| 7 |
23 |
|
g |
105 |
26 |
8490 |
◊ |
f |
x,y,z |
1_555 |
131 |
37 |
7040 |
1261.7 |
-27.6 |
0.010 |
6 |
5 |
0 |
1.000 |
24 |
|
l |
98 |
25 |
8679 |
◊ |
k |
x,y,z |
1_555 |
132 |
36 |
6548 |
1245.6 |
-26.6 |
0.010 |
3 |
3 |
0 |
1.000 |
25 |
|
b |
97 |
24 |
8353 |
◊ |
a |
x,y,z |
1_555 |
135 |
39 |
7288 |
1235.7 |
-26.1 |
0.013 |
3 |
2 |
0 |
1.000 |
26 |
|
W |
97 |
25 |
8373 |
◊ |
V |
x,y,z |
1_555 |
124 |
38 |
6858 |
1174.3 |
-25.1 |
0.015 |
3 |
4 |
0 |
1.000 |
| Average: |
1229.3 |
-26.3 |
0.012 |
4 |
4 |
0 |
1.000 |
| 8 |
27 |
|
V |
126 |
34 |
6858 |
◊ |
U |
x,y,z |
1_555 |
123 |
37 |
25242 |
1112.6 |
-9.0 |
0.495 |
12 |
1 |
0 |
1.000 |
28 |
|
f |
119 |
30 |
7040 |
◊ |
e |
x,y,z |
1_555 |
112 |
31 |
26138 |
1080.4 |
-9.7 |
0.431 |
11 |
2 |
0 |
1.000 |
| Average: |
1096.5 |
-9.3 |
0.463 |
12 |
2 |
0 |
1.000 |
| 9 |
29 |
|
k |
119 |
32 |
6548 |
◊ |
j |
x,y,z |
1_555 |
120 |
36 |
25137 |
1101.6 |
-9.6 |
0.403 |
12 |
1 |
0 |
0.228 |
30 |
|
a |
119 |
31 |
7288 |
◊ |
Z |
x,y,z |
1_555 |
105 |
31 |
25686 |
1058.0 |
-8.7 |
0.468 |
7 |
1 |
0 |
0.228 |
| Average: |
1079.8 |
-9.2 |
0.436 |
10 |
1 |
0 |
0.228 |
| 10 |
31 |
|
J |
95 |
15 |
31988 |
◊ |
E |
x,y,z |
1_555 |
78 |
22 |
8769 |
750.6 |
-8.6 |
0.692 |
10 |
0 |
0 |
1.000 |
32 |
|
T |
89 |
15 |
31934 |
◊ |
O |
x,y,z |
1_555 |
67 |
19 |
8766 |
687.9 |
-8.5 |
0.666 |
14 |
0 |
0 |
1.000 |
| Average: |
719.3 |
-8.5 |
0.679 |
12 |
0 |
0 |
1.000 |
| 11 |
33 |
|
S |
100 |
19 |
31976 |
◊ |
O |
x,y,z |
1_555 |
80 |
21 |
8766 |
744.8 |
-6.2 |
0.760 |
11 |
0 |
0 |
0.043 |
34 |
|
I |
93 |
18 |
31937 |
◊ |
E |
x,y,z |
1_555 |
74 |
18 |
8769 |
729.8 |
-9.0 |
0.660 |
12 |
0 |
0 |
0.043 |
| Average: |
737.3 |
-7.6 |
0.710 |
12 |
0 |
0 |
0.043 |
| 12 |
35 |
|
J |
92 |
17 |
31988 |
◊ |
A |
x,y,z |
1_555 |
80 |
22 |
8701 |
724.7 |
-7.1 |
0.730 |
11 |
0 |
0 |
0.036 |
36 |
|
T |
87 |
17 |
31934 |
◊ |
K |
x,y,z |
1_555 |
79 |
21 |
8727 |
713.7 |
-6.1 |
0.757 |
11 |
0 |
0 |
0.036 |
| Average: |
719.2 |
-6.6 |
0.743 |
11 |
0 |
0 |
0.036 |
| 13 |
37 |
|
I |
80 |
17 |
31937 |
◊ |
A |
x,y,z |
1_555 |
69 |
21 |
8701 |
639.0 |
-9.2 |
0.622 |
13 |
0 |
0 |
1.000 |
38 |
|
S |
77 |
14 |
31976 |
◊ |
K |
x,y,z |
1_555 |
69 |
22 |
8727 |
630.2 |
-9.4 |
0.604 |
13 |
0 |
0 |
1.000 |
| Average: |
634.6 |
-9.3 |
0.613 |
13 |
0 |
0 |
1.000 |
| 14 |
39 |
|
i |
71 |
18 |
9405 |
◊ |
f |
x,y,z |
1_555 |
72 |
18 |
7040 |
632.1 |
-4.2 |
0.655 |
5 |
2 |
0 |
0.095 |
| 15 |
40 |
|
H |
60 |
16 |
7885 |
◊ |
F |
x,y,z |
1_555 |
69 |
12 |
6622 |
606.9 |
-2.3 |
0.704 |
7 |
2 |
0 |
0.060 |
41 |
|
N |
54 |
15 |
8223 |
◊ |
L |
x,y,z |
1_555 |
68 |
14 |
7143 |
601.6 |
-0.1 |
0.788 |
4 |
5 |
0 |
0.060 |
42 |
|
D |
58 |
15 |
8156 |
◊ |
B |
x,y,z |
1_555 |
63 |
11 |
7265 |
590.1 |
-2.2 |
0.694 |
5 |
6 |
0 |
0.060 |
43 |
|
R |
56 |
15 |
8031 |
◊ |
P |
x,y,z |
1_555 |
58 |
12 |
6586 |
534.6 |
-2.4 |
0.682 |
5 |
1 |
0 |
0.060 |
| Average: |
583.3 |
-1.7 |
0.717 |
5 |
4 |
0 |
0.060 |
| 16 |
44 |
|
O |
61 |
14 |
8766 |
◊ |
K |
x,y,z |
1_555 |
58 |
15 |
8727 |
605.1 |
-10.5 |
0.222 |
3 |
2 |
0 |
0.041 |
45 |
|
E |
58 |
14 |
8769 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
8701 |
554.5 |
-11.7 |
0.139 |
4 |
2 |
0 |
0.041 |
| Average: |
579.8 |
-11.1 |
0.181 |
4 |
2 |
0 |
0.041 |
| 17 |
46 |
|
M |
59 |
18 |
8673 |
◊ |
O |
x,y,z |
1_555 |
59 |
24 |
8766 |
587.9 |
-7.5 |
0.341 |
1 |
0 |
0 |
0.033 |
47 |
|
C |
57 |
17 |
8731 |
◊ |
E |
x,y,z |
1_555 |
56 |
21 |
8769 |
550.7 |
-7.4 |
0.338 |
3 |
0 |
0 |
0.033 |
48 |
|
G |
48 |
15 |
9027 |
◊ |
A |
x,y,z |
1_555 |
53 |
20 |
8701 |
536.4 |
-6.0 |
0.408 |
5 |
0 |
0 |
0.033 |
49 |
|
Q |
53 |
16 |
8900 |
◊ |
K |
x,y,z |
1_555 |
54 |
21 |
8727 |
496.8 |
-6.3 |
0.426 |
3 |
0 |
0 |
0.033 |
| Average: |
542.9 |
-6.8 |
0.378 |
3 |
0 |
0 |
0.033 |
| 18 |
50 |
|
d |
70 |
16 |
9420 |
◊ |
a |
x,y,z |
1_555 |
61 |
16 |
7288 |
579.9 |
-5.1 |
0.556 |
5 |
2 |
0 |
0.072 |
51 |
|
Y |
44 |
11 |
8621 |
◊ |
V |
x,y,z |
1_555 |
47 |
13 |
6858 |
380.7 |
-1.2 |
0.688 |
3 |
2 |
0 |
0.072 |
52 |
|
n |
32 |
12 |
9012 |
◊ |
k |
x,y,z |
1_555 |
28 |
9 |
6548 |
240.2 |
-1.0 |
0.626 |
2 |
1 |
0 |
0.072 |
| Average: |
400.2 |
-2.4 |
0.623 |
3 |
2 |
0 |
0.072 |
| 19 |
53 |
|
I |
61 |
13 |
31937 |
◊ |
G |
x,y,z |
1_555 |
63 |
18 |
9027 |
527.0 |
-8.0 |
0.551 |
7 |
0 |
0 |
0.060 |
54 |
|
S |
67 |
14 |
31976 |
◊ |
Q |
x,y,z |
1_555 |
55 |
16 |
8900 |
520.6 |
-7.3 |
0.603 |
8 |
0 |
0 |
0.060 |
| Average: |
523.8 |
-7.7 |
0.577 |
8 |
0 |
0 |
0.060 |
| 20 |
55 |
|
J |
62 |
13 |
31988 |
◊ |
C |
x,y,z |
1_555 |
55 |
17 |
8731 |
497.6 |
-5.8 |
0.620 |
8 |
0 |
0 |
0.019 |
56 |
|
T |
61 |
12 |
31934 |
◊ |
M |
x,y,z |
1_555 |
52 |
15 |
8673 |
469.7 |
-3.6 |
0.715 |
11 |
0 |
0 |
0.019 |
| Average: |
483.6 |
-4.7 |
0.668 |
10 |
0 |
0 |
0.019 |
| 21 |
57 |
|
T |
52 |
13 |
31934 |
◊ |
R |
x,y,z |
1_555 |
42 |
14 |
8031 |
423.5 |
-6.0 |
0.542 |
12 |
0 |
0 |
0.095 |
58 |
|
J |
53 |
13 |
31988 |
◊ |
H |
x,y,z |
1_555 |
40 |
13 |
7885 |
382.6 |
-8.1 |
0.495 |
11 |
0 |
0 |
0.095 |
| Average: |
403.1 |
-7.0 |
0.519 |
12 |
0 |
0 |
0.095 |
| 22 |
59 |
|
S |
61 |
11 |
31976 |
◊ |
M |
x,y,z |
1_555 |
47 |
12 |
8673 |
414.3 |
-2.4 |
0.752 |
7 |
0 |
0 |
0.037 |
60 |
|
I |
54 |
11 |
31937 |
◊ |
C |
x,y,z |
1_555 |
43 |
10 |
8731 |
390.8 |
-2.1 |
0.731 |
5 |
0 |
0 |
0.037 |
| Average: |
402.5 |
-2.3 |
0.742 |
6 |
0 |
0 |
0.037 |
| 23 |
61 |
|
l |
43 |
13 |
8679 |
◊ |
Q |
x,y,z |
1_555 |
49 |
13 |
8900 |
411.9 |
5.2 |
0.932 |
8 |
5 |
0 |
0.000 |
62 |
|
b |
38 |
11 |
8353 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
9027 |
371.8 |
6.2 |
0.913 |
6 |
7 |
0 |
0.000 |
63 |
|
W |
36 |
9 |
8373 |
◊ |
C |
x,y,z |
1_555 |
43 |
11 |
8731 |
359.8 |
5.1 |
0.884 |
7 |
5 |
0 |
0.000 |
64 |
|
g |
24 |
8 |
8490 |
◊ |
M |
x,y,z |
1_555 |
32 |
9 |
8673 |
257.4 |
4.3 |
0.880 |
5 |
5 |
0 |
0.000 |
| Average: |
350.2 |
5.2 |
0.902 |
7 |
6 |
0 |
0.000 |
| 24 |
65 |
|
T |
51 |
12 |
31934 |
◊ |
Q |
x,y,z |
1_555 |
45 |
11 |
8900 |
404.6 |
-3.3 |
0.674 |
5 |
0 |
0 |
0.049 |
66 |
|
J |
42 |
9 |
31988 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
9027 |
389.4 |
-4.9 |
0.532 |
4 |
0 |
0 |
0.049 |
| Average: |
397.0 |
-4.1 |
0.603 |
5 |
0 |
0 |
0.049 |
| 25 |
67 |
|
e |
43 |
13 |
26138 |
◊ |
N |
x,y,z |
1_555 |
32 |
11 |
8223 |
394.1 |
1.2 |
0.820 |
5 |
0 |
0 |
0.000 |
68 |
|
U |
41 |
13 |
25242 |
◊ |
D |
x,y,z |
1_555 |
40 |
12 |
8156 |
372.5 |
1.0 |
0.817 |
6 |
0 |
0 |
0.000 |
69 |
|
Z |
43 |
13 |
25686 |
◊ |
H |
x,y,z |
1_555 |
35 |
10 |
7885 |
369.6 |
-1.0 |
0.666 |
6 |
0 |
0 |
0.000 |
70 |
|
j |
43 |
13 |
25137 |
◊ |
R |
x,y,z |
1_555 |
35 |
9 |
8031 |
362.5 |
-0.1 |
0.751 |
6 |
0 |
0 |
0.000 |
| Average: |
374.7 |
0.3 |
0.764 |
6 |
0 |
0 |
0.000 |
| 26 |
71 |
|
J |
46 |
8 |
31988 |
◊ |
D |
x,y,z |
1_555 |
41 |
12 |
8156 |
388.9 |
-6.1 |
0.557 |
6 |
0 |
0 |
0.018 |
72 |
|
T |
40 |
8 |
31934 |
◊ |
N |
x,y,z |
1_555 |
42 |
12 |
8223 |
349.5 |
-4.9 |
0.591 |
5 |
0 |
0 |
0.018 |
| Average: |
369.2 |
-5.5 |
0.574 |
6 |
0 |
0 |
0.018 |
| 27 |
73 |
|
J |
47 |
7 |
31988 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
7265 |
388.1 |
-6.3 |
0.552 |
10 |
0 |
0 |
0.030 |
74 |
|
T |
44 |
8 |
31934 |
◊ |
L |
x,y,z |
1_555 |
42 |
14 |
7143 |
334.1 |
-5.2 |
0.572 |
8 |
0 |
0 |
0.030 |
| Average: |
361.1 |
-5.7 |
0.562 |
9 |
0 |
0 |
0.030 |
| 28 |
75 |
|
S |
51 |
14 |
31976 |
◊ |
N |
x,y,z |
1_555 |
46 |
16 |
8223 |
378.9 |
-5.5 |
0.572 |
12 |
0 |
0 |
0.077 |
76 |
|
I |
46 |
13 |
31937 |
◊ |
D |
x,y,z |
1_555 |
38 |
14 |
8156 |
337.3 |
-6.2 |
0.528 |
11 |
0 |
0 |
0.077 |
| Average: |
358.1 |
-5.8 |
0.550 |
12 |
0 |
0 |
0.077 |
| 29 |
77 |
|
I |
45 |
7 |
31937 |
◊ |
F |
x,y,z |
1_555 |
44 |
15 |
6622 |
369.0 |
-6.3 |
0.499 |
15 |
0 |
0 |
0.070 |
78 |
|
S |
43 |
8 |
31976 |
◊ |
P |
x,y,z |
1_555 |
41 |
15 |
6586 |
348.9 |
-7.4 |
0.436 |
9 |
0 |
0 |
0.070 |
| Average: |
358.9 |
-6.8 |
0.467 |
12 |
0 |
0 |
0.070 |
| 30 |
79 |
|
C |
32 |
9 |
8731 |
◊ |
F |
x,y,z |
1_555 |
43 |
11 |
6622 |
351.3 |
-4.0 |
0.324 |
6 |
0 |
0 |
0.066 |
80 |
|
Q |
29 |
9 |
8900 |
◊ |
L |
x,y,z |
1_555 |
42 |
11 |
7143 |
337.1 |
-4.2 |
0.299 |
6 |
0 |
0 |
0.066 |
81 |
|
G |
35 |
11 |
9027 |
◊ |
B |
x,y,z |
1_555 |
41 |
10 |
7265 |
332.2 |
-3.3 |
0.404 |
5 |
0 |
0 |
0.066 |
| Average: |
340.2 |
-3.8 |
0.342 |
6 |
0 |
0 |
0.066 |
| 31 |
82 |
|
M |
31 |
9 |
8673 |
◊ |
P |
x,y,z |
1_555 |
45 |
11 |
6586 |
344.2 |
-3.4 |
0.347 |
5 |
0 |
0 |
0.030 |
| 32 |
83 |
|
D |
46 |
11 |
8156 |
◊ |
F |
x,y,z |
1_555 |
36 |
8 |
6622 |
341.2 |
-0.7 |
0.741 |
10 |
3 |
0 |
0.061 |
84 |
|
H |
35 |
9 |
7885 |
◊ |
B |
x,y,z |
1_555 |
33 |
8 |
7265 |
307.2 |
-1.9 |
0.627 |
8 |
1 |
0 |
0.061 |
85 |
|
R |
40 |
10 |
8031 |
◊ |
L |
x,y,z |
1_555 |
32 |
8 |
7143 |
303.6 |
-2.3 |
0.599 |
7 |
2 |
0 |
0.061 |
| Average: |
317.3 |
-1.7 |
0.656 |
8 |
2 |
0 |
0.061 |
| 33 |
86 |
|
d |
37 |
11 |
9420 |
◊ |
b |
x,y,z |
1_555 |
34 |
10 |
8353 |
323.7 |
-0.8 |
0.732 |
2 |
2 |
0 |
0.039 |
87 |
|
i |
36 |
11 |
9405 |
◊ |
g |
x,y,z |
1_555 |
37 |
11 |
8490 |
318.1 |
-1.6 |
0.662 |
3 |
3 |
0 |
0.039 |
88 |
|
n |
28 |
11 |
9012 |
◊ |
l |
x,y,z |
1_555 |
32 |
11 |
8679 |
246.3 |
-1.2 |
0.668 |
2 |
2 |
0 |
0.039 |
89 |
|
Y |
21 |
8 |
8621 |
◊ |
W |
x,y,z |
1_555 |
19 |
6 |
8373 |
203.9 |
1.4 |
0.845 |
1 |
2 |
0 |
0.039 |
| Average: |
273.0 |
-0.6 |
0.727 |
2 |
2 |
0 |
0.039 |
| 34 |
90 |
|
l |
43 |
12 |
8679 |
◊ |
R |
x,y,z |
1_555 |
35 |
9 |
8031 |
313.4 |
0.2 |
0.798 |
1 |
2 |
0 |
0.000 |
91 |
|
W |
42 |
12 |
8373 |
◊ |
D |
x,y,z |
1_555 |
36 |
10 |
8156 |
308.6 |
2.4 |
0.897 |
4 |
2 |
0 |
0.000 |
92 |
|
b |
45 |
12 |
8353 |
◊ |
H |
x,y,z |
1_555 |
29 |
10 |
7885 |
308.1 |
1.7 |
0.856 |
3 |
2 |
0 |
0.000 |
93 |
|
g |
32 |
11 |
8490 |
◊ |
N |
x,y,z |
1_555 |
31 |
8 |
8223 |
255.3 |
3.2 |
0.912 |
3 |
2 |
0 |
0.000 |
| Average: |
296.4 |
1.9 |
0.866 |
3 |
2 |
0 |
0.000 |
| 35 |
94 |
|
S |
38 |
5 |
31976 |
◊ |
R |
x,y,z |
1_555 |
35 |
10 |
8031 |
288.1 |
-2.7 |
0.682 |
4 |
0 |
0 |
0.024 |
95 |
|
I |
37 |
5 |
31937 |
◊ |
H |
x,y,z |
1_555 |
32 |
10 |
7885 |
286.7 |
-1.6 |
0.713 |
4 |
0 |
0 |
0.024 |
| Average: |
287.4 |
-2.2 |
0.698 |
4 |
0 |
0 |
0.024 |
| 36 |
96 |
|
N |
34 |
9 |
8223 |
◊ |
P |
x,y,z |
1_555 |
31 |
8 |
6586 |
275.4 |
-1.3 |
0.674 |
3 |
0 |
0 |
0.014 |
| 37 |
97 |
|
T |
36 |
9 |
31934 |
◊ |
P |
x,y,z |
1_555 |
26 |
10 |
6586 |
264.7 |
-1.3 |
0.721 |
5 |
0 |
0 |
0.058 |
98 |
|
J |
33 |
9 |
31988 |
◊ |
F |
x,y,z |
1_555 |
24 |
8 |
6622 |
247.1 |
-1.9 |
0.674 |
3 |
0 |
0 |
0.058 |
| Average: |
255.9 |
-1.6 |
0.698 |
4 |
0 |
0 |
0.058 |
| 38 |
99 |
|
e |
31 |
9 |
26138 |
◊ |
T |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
6 |
31934 |
262.5 |
-5.7 |
0.370 |
2 |
0 |
0 |
0.000 |
100 |
|
U |
33 |
10 |
25242 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
32 |
6 |
31988 |
249.8 |
-5.2 |
0.429 |
2 |
0 |
0 |
0.000 |
| Average: |
256.2 |
-5.5 |
0.400 |
2 |
0 |
0 |
0.000 |
| 39 |
101 |
|
S |
38 |
6 |
31976 |
◊ |
j |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
10 |
25137 |
259.9 |
-6.7 |
0.290 |
1 |
0 |
0 |
0.000 |
102 |
|
I |
28 |
5 |
31937 |
◊ |
Z |
x-1/2,-y-1/2,-z |
4_445 |
26 |
9 |
25686 |
254.7 |
-5.3 |
0.361 |
2 |
0 |
0 |
0.000 |
| Average: |
257.3 |
-6.0 |
0.325 |
2 |
0 |
0 |
0.000 |
| 40 |
103 |
|
S |
34 |
9 |
31976 |
◊ |
L |
x,y,z |
1_555 |
23 |
11 |
7143 |
249.6 |
-2.9 |
0.615 |
5 |
0 |
0 |
0.071 |
104 |
|
I |
38 |
10 |
31937 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
7265 |
242.6 |
-2.6 |
0.661 |
2 |
0 |
0 |
0.071 |
| Average: |
246.1 |
-2.8 |
0.638 |
4 |
0 |
0 |
0.071 |
| 41 |
105 |
|
M |
21 |
6 |
8673 |
◊ |
K |
x,y,z |
1_555 |
22 |
6 |
8727 |
173.7 |
0.5 |
0.752 |
3 |
0 |
0 |
0.006 |
106 |
|
C |
17 |
6 |
8731 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
8701 |
115.3 |
2.1 |
0.837 |
3 |
0 |
0 |
0.006 |
107 |
|
G |
13 |
6 |
9027 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
8769 |
83.9 |
1.5 |
0.819 |
1 |
0 |
0 |
0.006 |
108 |
|
Q |
7 |
4 |
8900 |
◊ |
O |
x,y,z |
1_555 |
8 |
4 |
8766 |
59.0 |
1.0 |
0.774 |
2 |
0 |
0 |
0.006 |
| Average: |
108.0 |
1.3 |
0.795 |
2 |
0 |
0 |
0.006 |
| 42 |
109 |
|
G |
19 |
6 |
9027 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
8731 |
148.5 |
1.1 |
0.778 |
1 |
0 |
0 |
0.000 |
110 |
|
Q |
20 |
6 |
8900 |
◊ |
M |
x,y,z |
1_555 |
20 |
5 |
8673 |
134.9 |
0.8 |
0.767 |
1 |
0 |
0 |
0.000 |
| Average: |
141.7 |
1.0 |
0.773 |
1 |
0 |
0 |
0.000 |
| 43 |
111 |
|
U |
15 |
5 |
25242 |
◊ |
S |
x-1,y,z |
1_455 |
16 |
4 |
31976 |
134.9 |
0.7 |
0.756 |
3 |
0 |
0 |
0.000 |
| 44 |
112 |
|
J |
9 |
2 |
31988 |
◊ |
e |
x-1/2,-y-1/2,-z |
4_445 |
16 |
6 |
26138 |
104.9 |
-0.5 |
0.595 |
0 |
0 |
0 |
0.000 |
| 45 |
113 |
|
U |
13 |
6 |
25242 |
◊ |
n |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
9012 |
97.4 |
-0.2 |
0.637 |
1 |
0 |
0 |
0.000 |
| 46 |
114 |
|
i |
10 |
2 |
9405 |
◊ |
S |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
2 |
31976 |
92.4 |
0.4 |
0.708 |
1 |
0 |
0 |
0.000 |
115 |
|
Y |
10 |
2 |
8621 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
31937 |
88.3 |
0.4 |
0.719 |
1 |
0 |
0 |
0.000 |
| Average: |
90.3 |
0.4 |
0.714 |
1 |
0 |
0 |
0.000 |
| 47 |
116 |
|
J |
10 |
2 |
31988 |
◊ |
d |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
9420 |
92.4 |
1.1 |
0.779 |
2 |
0 |
0 |
0.000 |
117 |
|
T |
12 |
2 |
31934 |
◊ |
n |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
9012 |
73.3 |
1.0 |
0.770 |
0 |
0 |
0 |
0.000 |
| Average: |
82.8 |
1.0 |
0.775 |
1 |
0 |
0 |
0.000 |
| 48 |
118 |
|
J |
13 |
3 |
31988 |
◊ |
j |
x-1/2,-y+1/2,-z |
4_455 |
10 |
4 |
25137 |
84.9 |
-1.6 |
0.529 |
1 |
0 |
0 |
0.000 |
| 49 |
119 |
|
U |
11 |
5 |
25242 |
◊ |
k |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
6548 |
83.5 |
0.7 |
0.776 |
0 |
0 |
0 |
0.000 |
| 50 |
120 |
|
H |
8 |
3 |
7885 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
8156 |
82.1 |
0.5 |
0.767 |
3 |
0 |
0 |
0.005 |
121 |
|
R |
5 |
2 |
8031 |
◊ |
N |
x,y,z |
1_555 |
8 |
3 |
8223 |
49.7 |
0.1 |
0.703 |
2 |
0 |
0 |
0.005 |
| Average: |
65.9 |
0.3 |
0.735 |
3 |
0 |
0 |
0.005 |
| 51 |
122 |
|
i |
6 |
2 |
9405 |
◊ |
Z |
x-1/2,-y-1/2,-z |
4_445 |
11 |
6 |
25686 |
74.4 |
-0.1 |
0.565 |
1 |
0 |
0 |
0.000 |
| 52 |
123 |
|
D |
6 |
3 |
8156 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
9027 |
64.3 |
-0.1 |
0.638 |
2 |
0 |
0 |
0.009 |
124 |
|
H |
4 |
2 |
7885 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8731 |
57.9 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.009 |
125 |
|
R |
3 |
1 |
8031 |
◊ |
M |
x,y,z |
1_555 |
8 |
3 |
8673 |
56.5 |
-0.1 |
0.629 |
1 |
0 |
0 |
0.009 |
126 |
|
N |
3 |
1 |
8223 |
◊ |
Q |
x,y,z |
1_555 |
9 |
4 |
8900 |
41.8 |
-1.0 |
0.192 |
0 |
0 |
0 |
0.009 |
| Average: |
55.1 |
-0.3 |
0.529 |
1 |
0 |
0 |
0.009 |
| 53 |
127 |
|
T |
8 |
3 |
31934 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
31937 |
57.6 |
0.6 |
0.684 |
0 |
0 |
0 |
0.000 |
| 54 |
128 |
|
Y |
8 |
2 |
8621 |
◊ |
Z |
x-1,y,z |
1_455 |
5 |
2 |
25686 |
54.9 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 55 |
129 |
|
U |
6 |
2 |
25242 |
◊ |
j |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
25137 |
53.7 |
-0.3 |
0.549 |
0 |
0 |
0 |
0.000 |
| 56 |
130 |
|
e |
10 |
4 |
26138 |
◊ |
S |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
2 |
31976 |
51.9 |
-0.7 |
0.564 |
1 |
0 |
0 |
0.000 |
131 |
|
U |
5 |
2 |
25242 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
31937 |
26.4 |
-0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
| Average: |
39.1 |
-0.4 |
0.600 |
1 |
0 |
0 |
0.000 |
| 57 |
132 |
|
S |
8 |
2 |
31976 |
◊ |
e |
x,y,z |
1_555 |
4 |
2 |
26138 |
49.1 |
-1.9 |
0.443 |
1 |
0 |
0 |
0.000 |
133 |
|
I |
6 |
2 |
31937 |
◊ |
U |
x,y,z |
1_555 |
3 |
1 |
25242 |
42.9 |
-0.3 |
0.515 |
2 |
0 |
0 |
0.000 |
| Average: |
46.0 |
-1.1 |
0.479 |
2 |
0 |
0 |
0.000 |
| 58 |
134 |
|
T |
6 |
2 |
31934 |
◊ |
j |
x,y,z |
1_555 |
4 |
2 |
25137 |
49.1 |
-0.4 |
0.491 |
3 |
0 |
0 |
0.000 |
135 |
|
J |
4 |
2 |
31988 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
25686 |
39.5 |
-0.2 |
0.501 |
1 |
0 |
0 |
0.000 |
| Average: |
44.3 |
-0.3 |
0.496 |
2 |
0 |
0 |
0.000 |
| 59 |
136 |
|
J |
9 |
4 |
31988 |
◊ |
Z |
x-1/2,-y-1/2,-z |
4_445 |
11 |
6 |
25686 |
49.0 |
-1.9 |
0.425 |
0 |
0 |
0 |
0.000 |
137 |
|
T |
4 |
3 |
31934 |
◊ |
j |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
4 |
25137 |
12.1 |
-0.6 |
0.506 |
0 |
0 |
0 |
0.000 |
| Average: |
30.6 |
-1.2 |
0.466 |
0 |
0 |
0 |
0.000 |
| 60 |
138 |
|
[ZN]Z:501 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
2 |
2 |
25686 |
49.0 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.662 |
| 61 |
139 |
|
[ZN]U:502 |
1 |
1 |
98 |
f |
U |
x,y,z |
1_555 |
1 |
1 |
25242 |
48.9 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.719 |
| 62 |
140 |
|
X |
5 |
2 |
4811 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
8156 |
48.8 |
0.0 |
0.623 |
1 |
1 |
0 |
0.000 |
141 |
|
c |
5 |
2 |
4661 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
7885 |
41.3 |
0.4 |
0.689 |
1 |
1 |
0 |
0.000 |
142 |
|
h |
3 |
2 |
4691 |
◊ |
N |
x,y,z |
1_555 |
7 |
3 |
8223 |
38.5 |
0.2 |
0.690 |
0 |
1 |
0 |
0.000 |
143 |
|
m |
2 |
1 |
4698 |
◊ |
R |
x,y,z |
1_555 |
4 |
2 |
8031 |
35.1 |
0.3 |
0.536 |
1 |
1 |
0 |
0.000 |
| Average: |
40.9 |
0.2 |
0.634 |
1 |
1 |
0 |
0.000 |
| 63 |
144 |
|
h |
8 |
4 |
4691 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
8727 |
47.6 |
0.5 |
0.717 |
0 |
0 |
0 |
0.000 |
145 |
|
X |
4 |
3 |
4811 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8701 |
37.6 |
0.4 |
0.698 |
0 |
0 |
0 |
0.000 |
| Average: |
42.6 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
| 64 |
146 |
|
T |
8 |
2 |
31934 |
◊ |
J |
x,y,z |
1_555 |
11 |
4 |
31988 |
47.4 |
0.5 |
0.622 |
0 |
0 |
0 |
0.000 |
| 65 |
147 |
|
S |
7 |
3 |
31976 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
31937 |
43.6 |
-2.3 |
0.367 |
0 |
0 |
0 |
0.000 |
| 66 |
148 |
|
e |
6 |
2 |
26138 |
◊ |
n |
x,y-1,z |
1_545 |
7 |
1 |
9012 |
43.4 |
-0.5 |
0.516 |
0 |
0 |
0 |
0.000 |
| 67 |
149 |
|
f |
4 |
1 |
7040 |
◊ |
d |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
9420 |
38.4 |
0.2 |
0.662 |
1 |
0 |
0 |
0.000 |
| 68 |
150 |
|
U |
6 |
3 |
25242 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7265 |
38.0 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
151 |
|
e |
6 |
3 |
26138 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
7143 |
28.7 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
| Average: |
33.4 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
| 69 |
152 |
|
i |
6 |
3 |
9405 |
◊ |
T |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
31934 |
38.0 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
153 |
|
Y |
6 |
3 |
8621 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
31988 |
23.8 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
| Average: |
30.9 |
-0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
| 70 |
154 |
|
U |
4 |
2 |
25242 |
◊ |
l |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
8679 |
36.5 |
0.5 |
0.463 |
0 |
0 |
0 |
0.000 |
| 71 |
155 |
|
I |
7 |
3 |
31937 |
◊ |
d |
x-1/2,-y-1/2,-z |
4_445 |
9 |
5 |
9420 |
33.0 |
-0.7 |
0.564 |
0 |
0 |
0 |
0.000 |
156 |
|
S |
4 |
1 |
31976 |
◊ |
n |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
9012 |
23.0 |
0.3 |
0.638 |
0 |
0 |
0 |
0.000 |
| Average: |
28.0 |
-0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
| 72 |
157 |
|
U |
6 |
3 |
25242 |
◊ |
T |
x-1,y,z |
1_455 |
11 |
2 |
31934 |
31.4 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
| 73 |
158 |
|
Q |
4 |
2 |
8900 |
◊ |
P |
x,y,z |
1_555 |
7 |
3 |
6586 |
28.3 |
1.1 |
0.807 |
0 |
0 |
0 |
0.000 |
159 |
|
G |
1 |
1 |
9027 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
6622 |
18.7 |
0.8 |
0.857 |
0 |
0 |
0 |
0.000 |
160 |
|
C |
2 |
1 |
8731 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7265 |
9.4 |
0.3 |
0.777 |
0 |
0 |
0 |
0.000 |
161 |
|
M |
1 |
1 |
8673 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
7143 |
3.7 |
0.2 |
0.801 |
0 |
0 |
0 |
0.000 |
| Average: |
15.0 |
0.6 |
0.811 |
0 |
0 |
0 |
0.000 |
| 74 |
162 |
|
I |
4 |
2 |
31937 |
◊ |
j |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
25137 |
25.8 |
-1.0 |
0.442 |
0 |
0 |
0 |
0.000 |
| 75 |
163 |
|
n |
3 |
1 |
9012 |
◊ |
d |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
9420 |
20.5 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| 76 |
164 |
|
T |
4 |
1 |
31934 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
25686 |
19.9 |
0.3 |
0.651 |
0 |
0 |
0 |
0.000 |
| 77 |
165 |
|
I |
5 |
2 |
31937 |
◊ |
e |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
26138 |
19.6 |
-0.4 |
0.570 |
0 |
0 |
0 |
0.000 |
| 78 |
166 |
|
S |
5 |
2 |
31976 |
◊ |
m |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
4698 |
13.4 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
167 |
|
I |
1 |
1 |
31937 |
◊ |
c |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
4661 |
1.7 |
-0.0 |
0.445 |
0 |
0 |
0 |
0.000 |
| Average: |
7.6 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
| 79 |
168 |
|
I |
3 |
1 |
31937 |
◊ |
f |
x,y,z |
1_555 |
1 |
1 |
7040 |
13.0 |
-0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
| 80 |
169 |
|
U |
1 |
1 |
25242 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8731 |
12.5 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
170 |
|
j |
1 |
1 |
25137 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
8900 |
10.5 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
171 |
|
e |
1 |
1 |
26138 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
8673 |
5.4 |
-0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
172 |
|
Z |
1 |
1 |
25686 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
9027 |
3.1 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
| Average: |
7.9 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
| 81 |
173 |
|
V |
4 |
2 |
6858 |
◊ |
d |
x-1,y,z |
1_455 |
2 |
2 |
9420 |
11.5 |
0.3 |
0.759 |
0 |
0 |
0 |
0.000 |
| 82 |
174 |
|
i |
2 |
1 |
9405 |
◊ |
d |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
9420 |
10.6 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| 83 |
175 |
|
Z |
3 |
1 |
25686 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
6622 |
8.4 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
176 |
|
j |
1 |
1 |
25137 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
6586 |
3.0 |
0.1 |
0.794 |
0 |
0 |
0 |
0.000 |
| Average: |
5.7 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
| 84 |
177 |
|
m |
1 |
1 |
4698 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
8766 |
8.4 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
178 |
|
c |
1 |
1 |
4661 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8769 |
2.9 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
| 85 |
179 |
|
T |
1 |
1 |
31934 |
◊ |
e |
x,y,z |
1_555 |
2 |
2 |
26138 |
8.0 |
-0.5 |
0.297 |
0 |
0 |
0 |
0.000 |
180 |
|
J |
1 |
1 |
31988 |
◊ |
U |
x,y,z |
1_555 |
2 |
2 |
25242 |
7.3 |
-0.4 |
0.305 |
0 |
0 |
0 |
0.000 |
| Average: |
7.6 |
-0.5 |
0.301 |
0 |
0 |
0 |
0.000 |
| 86 |
181 |
|
V |
1 |
1 |
6858 |
◊ |
a |
x-1,y,z |
1_455 |
2 |
1 |
7288 |
6.3 |
-0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
| 87 |
182 |
|
Y |
3 |
1 |
8621 |
◊ |
S |
x-1,y,z |
1_455 |
1 |
1 |
31976 |
5.9 |
-0.2 |
0.359 |
0 |
0 |
0 |
0.000 |
| 88 |
183 |
|
R |
1 |
1 |
8031 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
8766 |
5.5 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 89 |
184 |
|
J |
2 |
1 |
31988 |
◊ |
S |
x,y,z |
1_555 |
2 |
1 |
31976 |
4.6 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
| 90 |
185 |
|
i |
1 |
1 |
9405 |
◊ |
k |
x,y-1,z |
1_545 |
2 |
1 |
6548 |
4.5 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
| 91 |
186 |
|
S |
3 |
2 |
31976 |
◊ |
Z |
x,y,z |
1_555 |
2 |
2 |
25686 |
4.3 |
-0.2 |
0.478 |
0 |
0 |
0 |
0.000 |
| 92 |
187 |
|
J |
1 |
1 |
31988 |
◊ |
e |
x,y,z |
1_555 |
2 |
1 |
26138 |
3.8 |
-0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
| 93 |
188 |
|
[ZN]Y:201 |
1 |
1 |
98 |
f |
U |
x,y,z |
1_555 |
1 |
1 |
25242 |
2.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 94 |
189 |
|
g |
1 |
1 |
8490 |
◊ |
Z |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
25686 |
0.9 |
0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
|