| ## |
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 |
136 |
37 |
8157 |
◊ |
A |
x,y,z |
1_555 |
116 |
24 |
12562 |
1252.1 |
-8.8 |
0.641 |
19 |
3 |
0 |
0.123 |
2 |
|
F |
136 |
37 |
8143 |
◊ |
E |
x,y,z |
1_555 |
117 |
24 |
12623 |
1244.4 |
-7.9 |
0.664 |
20 |
3 |
0 |
0.123 |
3 |
|
H |
134 |
37 |
8194 |
◊ |
G |
x,y,z |
1_555 |
115 |
24 |
12626 |
1243.8 |
-8.3 |
0.640 |
19 |
3 |
0 |
0.123 |
4 |
|
D |
132 |
37 |
8131 |
◊ |
C |
x,y,z |
1_555 |
114 |
24 |
12552 |
1235.4 |
-8.0 |
0.629 |
18 |
3 |
0 |
0.123 |
| Average: |
1243.9 |
-8.3 |
0.643 |
19 |
3 |
0 |
0.123 |
| 2 |
5 |
|
[HEC]C:1292 |
43 |
1 |
808 |
cf |
C |
x,y,z |
1_555 |
79 |
31 |
12552 |
593.6 |
-21.4 |
0.287 |
4 |
0 |
0 |
0.179 |
6 |
|
[HEC]G:1292 |
43 |
1 |
806 |
cf |
G |
x,y,z |
1_555 |
78 |
31 |
12626 |
590.9 |
-21.2 |
0.275 |
4 |
0 |
0 |
0.179 |
7 |
|
[HEC]E:1292 |
43 |
1 |
806 |
cf |
E |
x,y,z |
1_555 |
77 |
31 |
12623 |
590.9 |
-23.6 |
0.115 |
4 |
0 |
0 |
0.179 |
8 |
|
[HEC]A:1292 |
43 |
1 |
803 |
cf |
A |
x,y,z |
1_555 |
78 |
31 |
12562 |
588.5 |
-21.2 |
0.277 |
4 |
0 |
0 |
0.179 |
| Average: |
591.0 |
-21.9 |
0.238 |
4 |
0 |
0 |
0.179 |
| 3 |
9 |
|
[HEC]B:1158 |
43 |
1 |
825 |
cf |
B |
x,y,z |
1_555 |
71 |
27 |
8157 |
562.6 |
-21.8 |
0.435 |
4 |
0 |
0 |
0.164 |
10 |
|
[HEC]H:1158 |
43 |
1 |
825 |
cf |
H |
x,y,z |
1_555 |
72 |
27 |
8194 |
560.7 |
-21.8 |
0.435 |
4 |
0 |
0 |
0.164 |
11 |
|
[HEC]F:1158 |
43 |
1 |
824 |
cf |
F |
x,y,z |
1_555 |
70 |
27 |
8143 |
559.9 |
-21.8 |
0.398 |
3 |
0 |
0 |
0.164 |
12 |
|
[HEC]D:1158 |
43 |
1 |
813 |
f |
D |
x,y,z |
1_555 |
70 |
27 |
8131 |
553.2 |
-21.2 |
0.393 |
4 |
0 |
0 |
0.164 |
| Average: |
559.1 |
-21.7 |
0.415 |
4 |
0 |
0 |
0.164 |
| 4 |
13 |
|
A |
56 |
16 |
12562 |
◊ |
E |
x,y-1,z |
1_545 |
56 |
16 |
12623 |
458.4 |
3.7 |
0.869 |
13 |
8 |
0 |
0.012 |
14 |
|
G |
54 |
16 |
12626 |
◊ |
C |
x,y,z |
1_555 |
52 |
16 |
12552 |
437.6 |
2.9 |
0.828 |
8 |
8 |
0 |
0.012 |
| Average: |
448.0 |
3.3 |
0.848 |
11 |
8 |
0 |
0.012 |
| 5 |
15 |
|
[HEC]A:1291 |
43 |
1 |
820 |
cf |
A |
x,y,z |
1_555 |
59 |
23 |
12562 |
446.1 |
-16.2 |
0.125 |
2 |
0 |
0 |
0.126 |
16 |
|
[HEC]C:1291 |
43 |
1 |
820 |
f |
C |
x,y,z |
1_555 |
54 |
21 |
12552 |
443.7 |
-15.8 |
0.130 |
3 |
0 |
0 |
0.126 |
17 |
|
[HEC]E:1291 |
43 |
1 |
817 |
cf |
E |
x,y,z |
1_555 |
56 |
22 |
12623 |
443.2 |
-15.9 |
0.128 |
2 |
0 |
0 |
0.126 |
18 |
|
[HEC]G:1291 |
43 |
1 |
823 |
f |
G |
x,y,z |
1_555 |
56 |
22 |
12626 |
443.0 |
-15.7 |
0.142 |
2 |
0 |
0 |
0.126 |
| Average: |
444.0 |
-15.9 |
0.131 |
2 |
0 |
0 |
0.126 |
| 6 |
19 |
|
A |
41 |
15 |
12562 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
13 |
8143 |
373.1 |
-3.5 |
0.321 |
4 |
2 |
0 |
0.000 |
20 |
|
C |
42 |
15 |
12552 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
37 |
13 |
8194 |
371.4 |
-3.4 |
0.364 |
4 |
2 |
0 |
0.000 |
21 |
|
B |
36 |
13 |
8157 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
40 |
15 |
12623 |
370.1 |
-3.4 |
0.374 |
4 |
1 |
0 |
0.000 |
22 |
|
D |
35 |
13 |
8131 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
15 |
12626 |
368.5 |
-3.3 |
0.342 |
4 |
1 |
0 |
0.000 |
| Average: |
370.8 |
-3.4 |
0.350 |
4 |
2 |
0 |
0.000 |
| 7 |
23 |
|
G |
42 |
14 |
12626 |
x |
G |
x-1,y,z |
1_455 |
51 |
16 |
12626 |
344.8 |
1.1 |
0.773 |
3 |
3 |
0 |
0.000 |
24 |
|
E |
52 |
17 |
12623 |
x |
E |
x-1,y,z |
1_455 |
37 |
11 |
12623 |
338.3 |
-0.8 |
0.624 |
3 |
3 |
0 |
0.000 |
25 |
|
C |
50 |
15 |
12552 |
x |
C |
x-1,y,z |
1_455 |
39 |
13 |
12552 |
336.1 |
0.8 |
0.753 |
4 |
5 |
0 |
0.000 |
26 |
|
A |
37 |
12 |
12562 |
x |
A |
x-1,y,z |
1_455 |
46 |
14 |
12562 |
325.7 |
1.7 |
0.822 |
5 |
4 |
0 |
0.000 |
| Average: |
336.2 |
0.7 |
0.743 |
4 |
4 |
0 |
0.000 |
| 8 |
27 |
|
D |
22 |
8 |
8131 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
23 |
8 |
8194 |
200.0 |
-0.1 |
0.831 |
2 |
0 |
0 |
0.000 |
28 |
|
B |
25 |
8 |
8157 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
8 |
8143 |
199.4 |
-0.3 |
0.824 |
2 |
0 |
0 |
0.000 |
29 |
|
B |
18 |
6 |
8157 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
21 |
8 |
8143 |
179.7 |
-0.4 |
0.789 |
2 |
0 |
0 |
0.000 |
30 |
|
D |
17 |
5 |
8131 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
20 |
7 |
8194 |
177.2 |
-0.2 |
0.793 |
2 |
0 |
0 |
0.000 |
| Average: |
189.1 |
-0.2 |
0.809 |
2 |
0 |
0 |
0.000 |
| 9 |
31 |
|
[HEC]G:1291 |
12 |
1 |
823 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
12552 |
119.1 |
-4.0 |
0.510 |
1 |
0 |
0 |
0.033 |
32 |
|
A |
16 |
7 |
12562 |
◊ |
[HEC]E:1291 |
x,y-1,z |
1_545 |
12 |
1 |
817 |
118.9 |
-4.0 |
0.477 |
1 |
0 |
0 |
0.033 |
33 |
|
[HEC]C:1291 |
12 |
1 |
820 |
◊ |
G |
x,y,z |
1_555 |
17 |
8 |
12626 |
116.8 |
-4.3 |
0.421 |
0 |
0 |
0 |
0.033 |
34 |
|
[HEC]A:1291 |
12 |
1 |
820 |
◊ |
E |
x,y-1,z |
1_545 |
17 |
7 |
12623 |
116.0 |
-4.1 |
0.475 |
1 |
0 |
0 |
0.033 |
| Average: |
117.7 |
-4.1 |
0.471 |
1 |
0 |
0 |
0.033 |
| 10 |
35 |
|
[HEC]A:1291 |
18 |
1 |
820 |
◊ |
[HEC]E:1291 |
x,y-1,z |
1_545 |
19 |
1 |
817 |
119.0 |
-6.6 |
0.956 |
0 |
0 |
0 |
0.025 |
36 |
|
[HEC]G:1291 |
18 |
1 |
823 |
◊ |
[HEC]C:1291 |
x,y,z |
1_555 |
18 |
1 |
820 |
118.7 |
-6.6 |
0.956 |
0 |
0 |
0 |
0.025 |
| Average: |
118.8 |
-6.6 |
0.956 |
0 |
0 |
0 |
0.025 |
| 11 |
37 |
|
H |
14 |
6 |
8194 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
12623 |
105.3 |
-1.8 |
0.385 |
0 |
0 |
0 |
0.000 |
| 12 |
38 |
|
D |
12 |
3 |
8131 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
8143 |
98.1 |
-0.7 |
0.649 |
0 |
0 |
0 |
0.000 |
| 13 |
39 |
|
F |
10 |
3 |
8143 |
x |
F |
x-1,y,z |
1_455 |
10 |
4 |
8143 |
91.1 |
-0.8 |
0.561 |
0 |
0 |
0 |
0.000 |
40 |
|
H |
12 |
4 |
8194 |
x |
H |
x-1,y,z |
1_455 |
8 |
3 |
8194 |
90.7 |
-0.7 |
0.628 |
0 |
0 |
0 |
0.000 |
41 |
|
D |
10 |
3 |
8131 |
x |
D |
x-1,y,z |
1_455 |
11 |
4 |
8131 |
76.4 |
-0.1 |
0.727 |
2 |
1 |
0 |
0.000 |
42 |
|
B |
11 |
4 |
8157 |
x |
B |
x-1,y,z |
1_455 |
6 |
3 |
8157 |
72.1 |
-0.9 |
0.570 |
0 |
0 |
0 |
0.000 |
| Average: |
82.6 |
-0.6 |
0.622 |
1 |
0 |
0 |
0.000 |
| 14 |
43 |
|
D |
12 |
3 |
8131 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
8 |
3 |
12626 |
80.0 |
1.1 |
0.854 |
1 |
1 |
0 |
0.000 |
44 |
|
C |
9 |
3 |
12552 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
12 |
3 |
8194 |
78.5 |
1.2 |
0.869 |
1 |
1 |
0 |
0.000 |
45 |
|
B |
8 |
2 |
8157 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
12623 |
70.1 |
0.1 |
0.585 |
1 |
1 |
0 |
0.000 |
46 |
|
A |
7 |
3 |
12562 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
8143 |
53.0 |
0.6 |
0.723 |
1 |
2 |
0 |
0.000 |
| Average: |
70.4 |
0.7 |
0.758 |
1 |
1 |
0 |
0.000 |
| 15 |
47 |
|
F |
9 |
3 |
8143 |
◊ |
G |
x,y,z-1 |
1_554 |
10 |
6 |
12626 |
76.4 |
-0.6 |
0.541 |
0 |
0 |
0 |
0.000 |
| 16 |
48 |
|
[ZN]C:1294 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
12552 |
42.7 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.174 |
49 |
|
[ZN]E:1294 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
12623 |
42.3 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.174 |
50 |
|
[ZN]G:1295 |
1 |
1 |
98 |
cf |
G |
x,y,z |
1_555 |
9 |
4 |
12626 |
42.2 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.174 |
51 |
|
[ZN]A:1295 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
12562 |
41.5 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.174 |
| Average: |
42.2 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.174 |
| 17 |
52 |
|
[HEC]B:1158 |
2 |
1 |
825 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12562 |
42.1 |
-1.3 |
0.144 |
0 |
0 |
0 |
0.009 |
53 |
|
[HEC]F:1158 |
3 |
1 |
824 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
12623 |
42.0 |
-1.3 |
0.242 |
0 |
0 |
0 |
0.009 |
54 |
|
[HEC]H:1158 |
3 |
1 |
825 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
12626 |
40.5 |
-1.3 |
0.247 |
0 |
0 |
0 |
0.009 |
55 |
|
[HEC]D:1158 |
2 |
1 |
813 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12552 |
39.8 |
-1.3 |
0.214 |
0 |
0 |
0 |
0.009 |
| Average: |
41.1 |
-1.3 |
0.212 |
0 |
0 |
0 |
0.009 |
| 18 |
56 |
|
[ZN]E:1293 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
12623 |
36.7 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.150 |
57 |
|
[ZN]C:1293 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
12552 |
36.5 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.150 |
58 |
|
[ZN]G:1293 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
12626 |
36.4 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.150 |
59 |
|
[ZN]A:1293 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
12562 |
35.6 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.150 |
| Average: |
36.3 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.150 |
| 19 |
60 |
|
E |
7 |
3 |
12623 |
◊ |
[ZN]E:1293 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
36.6 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[ZN]A:1293 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
12562 |
35.5 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[ZN]G:1293 |
1 |
1 |
98 |
◊ |
G |
x-1,y,z |
1_455 |
7 |
3 |
12626 |
35.5 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
C |
7 |
3 |
12552 |
◊ |
[ZN]C:1293 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
35.4 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
35.8 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
64 |
|
A |
4 |
2 |
12562 |
◊ |
[ZN]A:1295 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
34.7 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[ZN]E:1294 |
1 |
1 |
98 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
12623 |
34.2 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
G |
4 |
2 |
12626 |
◊ |
[ZN]G:1295 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
34.0 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[ZN]C:1294 |
1 |
1 |
98 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
12552 |
33.6 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
34.1 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
68 |
|
D |
5 |
2 |
8131 |
◊ |
[HEC]F:1158 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
824 |
33.9 |
-1.1 |
0.570 |
1 |
0 |
0 |
0.000 |
| 22 |
69 |
|
B |
3 |
1 |
8157 |
◊ |
[HEC]H:1158 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
825 |
28.6 |
-1.3 |
0.552 |
0 |
0 |
0 |
0.000 |
| 23 |
70 |
|
[ZN]A:1294 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12562 |
28.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.091 |
71 |
|
[ZN]A:1296 |
1 |
1 |
98 |
◊ |
E |
x,y-1,z |
1_545 |
4 |
2 |
12623 |
28.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.091 |
72 |
|
[ZN]G:1294 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
12626 |
28.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.091 |
73 |
|
[ZN]C:1295 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12552 |
28.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
28.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.091 |
| 24 |
74 |
|
B |
4 |
2 |
8157 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
8194 |
27.7 |
-0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
| 25 |
75 |
|
[ZN]C:1295 |
1 |
1 |
98 |
f |
[HEC]G:1291 |
x,y,z |
1_555 |
6 |
1 |
823 |
27.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.091 |
76 |
|
[ZN]A:1296 |
1 |
1 |
98 |
cf |
[HEC]A:1291 |
x,y,z |
1_555 |
5 |
1 |
820 |
26.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.091 |
77 |
|
[ZN]A:1294 |
1 |
1 |
98 |
f |
[HEC]E:1291 |
x,y-1,z |
1_545 |
6 |
1 |
817 |
26.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.091 |
78 |
|
[ZN]G:1294 |
1 |
1 |
98 |
f |
[HEC]C:1291 |
x,y,z |
1_555 |
6 |
1 |
820 |
26.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
26.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.091 |
| 26 |
79 |
|
[ZN]G:1294 |
1 |
1 |
98 |
c |
[HEC]G:1291 |
x,y,z |
1_555 |
4 |
1 |
823 |
25.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.085 |
80 |
|
[ZN]A:1294 |
1 |
1 |
98 |
c |
[HEC]A:1291 |
x,y,z |
1_555 |
3 |
1 |
820 |
25.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.085 |
81 |
|
[ZN]A:1296 |
1 |
1 |
98 |
◊ |
[HEC]E:1291 |
x,y-1,z |
1_545 |
4 |
1 |
817 |
24.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.085 |
82 |
|
[ZN]C:1295 |
1 |
1 |
98 |
c |
[HEC]C:1291 |
x,y,z |
1_555 |
3 |
1 |
820 |
24.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
25.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| 27 |
83 |
|
[HEC]C:1292 |
3 |
1 |
808 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8131 |
23.6 |
-0.8 |
0.418 |
0 |
0 |
0 |
0.005 |
84 |
|
[HEC]G:1292 |
3 |
1 |
806 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8194 |
23.4 |
-0.7 |
0.429 |
0 |
0 |
0 |
0.005 |
85 |
|
[HEC]A:1292 |
3 |
1 |
803 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8157 |
23.4 |
-0.7 |
0.424 |
0 |
0 |
0 |
0.005 |
86 |
|
[HEC]E:1292 |
3 |
1 |
806 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8143 |
21.9 |
-0.7 |
0.441 |
0 |
0 |
0 |
0.005 |
| Average: |
23.1 |
-0.7 |
0.428 |
0 |
0 |
0 |
0.005 |
| 28 |
87 |
|
[ZN]A:1296 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
12562 |
17.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.044 |
88 |
|
[ZN]C:1295 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
12626 |
16.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.044 |
89 |
|
[ZN]G:1294 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
12552 |
16.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.044 |
90 |
|
[ZN]A:1294 |
1 |
1 |
98 |
f |
E |
x,y-1,z |
1_545 |
6 |
4 |
12623 |
15.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
16.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.044 |
| 29 |
91 |
|
E |
1 |
1 |
12623 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
8143 |
12.3 |
-0.0 |
0.392 |
0 |
0 |
0 |
0.000 |
92 |
|
H |
1 |
1 |
8194 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
12626 |
12.0 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
93 |
|
B |
1 |
1 |
8157 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
12562 |
11.7 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
94 |
|
C |
1 |
1 |
12552 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
8131 |
10.6 |
-0.0 |
0.402 |
0 |
0 |
0 |
0.000 |
| Average: |
11.6 |
-0.0 |
0.396 |
0 |
0 |
0 |
0.000 |
| 30 |
95 |
|
C |
2 |
2 |
12552 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
2 |
12626 |
6.3 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
96 |
|
E |
1 |
1 |
12623 |
◊ |
A |
x-1,y+1,z |
1_465 |
1 |
1 |
12562 |
1.2 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| Average: |
3.7 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 31 |
97 |
|
B |
1 |
1 |
8157 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
8194 |
3.1 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 32 |
98 |
|
[ZN]G:1294 |
1 |
1 |
98 |
◊ |
[ZN]C:1295 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 33 |
99 |
|
[ZN]A:1296 |
1 |
1 |
98 |
◊ |
[ZN]A:1294 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
|