## |
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 |
|
G |
180 |
45 |
12324 |
◊ |
F |
x,y,z |
1_555 |
180 |
43 |
12299 |
1644.9 |
-16.0 |
0.344 |
29 |
10 |
0 |
0.460 |
2 |
|
C |
174 |
43 |
12277 |
◊ |
A |
x,y,z |
1_555 |
184 |
45 |
12232 |
1641.3 |
-15.9 |
0.340 |
29 |
12 |
0 |
0.460 |
3 |
|
H |
177 |
44 |
12252 |
◊ |
E |
x,y,z |
1_555 |
178 |
43 |
12370 |
1637.2 |
-16.2 |
0.290 |
30 |
10 |
0 |
0.460 |
4 |
|
D |
177 |
43 |
12422 |
◊ |
B |
x,y,z |
1_555 |
179 |
44 |
12245 |
1614.4 |
-16.0 |
0.311 |
30 |
11 |
0 |
0.460 |
Average: |
1634.4 |
-16.0 |
0.321 |
30 |
11 |
0 |
0.460 |
2 |
5 |
|
F |
138 |
43 |
12299 |
◊ |
E |
x,y,z |
1_555 |
140 |
43 |
12370 |
1343.7 |
-24.1 |
0.024 |
19 |
4 |
0 |
0.461 |
6 |
|
D |
145 |
44 |
12422 |
◊ |
C |
x,y,z |
1_555 |
138 |
43 |
12277 |
1338.3 |
-23.1 |
0.039 |
17 |
5 |
0 |
0.461 |
7 |
|
B |
140 |
43 |
12245 |
◊ |
A |
x,y,z |
1_555 |
140 |
43 |
12232 |
1319.9 |
-23.3 |
0.027 |
19 |
4 |
0 |
0.461 |
8 |
|
H |
140 |
42 |
12252 |
◊ |
G |
x,y,z |
1_555 |
139 |
42 |
12324 |
1318.4 |
-22.7 |
0.032 |
16 |
5 |
0 |
0.461 |
Average: |
1330.1 |
-23.3 |
0.030 |
18 |
5 |
0 |
0.461 |
3 |
9 |
|
G |
85 |
24 |
12324 |
◊ |
E |
x,y,z |
1_555 |
90 |
24 |
12370 |
770.0 |
-10.7 |
0.126 |
11 |
0 |
0 |
0.284 |
10 |
|
H |
88 |
24 |
12252 |
◊ |
F |
x,y,z |
1_555 |
85 |
23 |
12299 |
768.2 |
-10.7 |
0.128 |
10 |
0 |
0 |
0.284 |
11 |
|
C |
85 |
23 |
12277 |
◊ |
B |
x,y,z |
1_555 |
87 |
23 |
12245 |
765.7 |
-10.7 |
0.130 |
11 |
0 |
0 |
0.284 |
12 |
|
D |
86 |
23 |
12422 |
◊ |
A |
x,y,z |
1_555 |
90 |
23 |
12232 |
759.8 |
-10.8 |
0.122 |
11 |
0 |
0 |
0.284 |
Average: |
765.9 |
-10.7 |
0.127 |
11 |
0 |
0 |
0.284 |
4 |
13 |
|
[NAD]E:302 |
44 |
1 |
816 |
f |
E |
x,y,z |
1_555 |
86 |
33 |
12370 |
579.2 |
-9.0 |
0.440 |
12 |
0 |
0 |
0.511 |
14 |
|
[NAD]G:302 |
44 |
1 |
813 |
f |
G |
x,y,z |
1_555 |
89 |
34 |
12324 |
578.7 |
-9.0 |
0.454 |
12 |
0 |
0 |
0.511 |
15 |
|
[NAD]D:302 |
44 |
1 |
814 |
f |
D |
x,y,z |
1_555 |
85 |
34 |
12422 |
578.4 |
-9.0 |
0.436 |
11 |
0 |
0 |
0.511 |
16 |
|
[NAD]F:302 |
44 |
1 |
814 |
f |
F |
x,y,z |
1_555 |
86 |
34 |
12299 |
578.1 |
-8.8 |
0.466 |
11 |
0 |
0 |
0.511 |
17 |
|
[NAD]A:302 |
44 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
89 |
34 |
12232 |
578.1 |
-9.1 |
0.458 |
12 |
0 |
0 |
0.511 |
18 |
|
[NAD]H:302 |
44 |
1 |
819 |
f |
H |
x,y,z |
1_555 |
89 |
35 |
12252 |
577.6 |
-8.9 |
0.454 |
12 |
0 |
0 |
0.511 |
19 |
|
[NAD]B:302 |
44 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
87 |
35 |
12245 |
577.1 |
-9.0 |
0.455 |
11 |
0 |
0 |
0.511 |
20 |
|
[NAD]C:302 |
44 |
1 |
815 |
f |
C |
x,y,z |
1_555 |
89 |
35 |
12277 |
575.3 |
-8.6 |
0.473 |
11 |
0 |
0 |
0.511 |
Average: |
577.8 |
-8.9 |
0.455 |
12 |
0 |
0 |
0.511 |
5 |
21 |
|
F |
66 |
16 |
12299 |
◊ |
D |
x,y,z |
1_555 |
62 |
18 |
12422 |
569.7 |
-9.3 |
0.100 |
1 |
0 |
0 |
0.073 |
22 |
|
G |
64 |
17 |
12324 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
63 |
17 |
12277 |
553.7 |
-10.0 |
0.080 |
1 |
0 |
0 |
0.073 |
Average: |
561.7 |
-9.6 |
0.090 |
1 |
0 |
0 |
0.073 |
6 |
23 |
|
A |
61 |
20 |
12232 |
◊ |
D |
x-1,y,z |
1_455 |
60 |
18 |
12422 |
465.0 |
-1.1 |
0.718 |
4 |
0 |
0 |
0.023 |
24 |
|
G |
54 |
18 |
12324 |
◊ |
E |
x-1,y,z |
1_455 |
60 |
19 |
12370 |
448.4 |
-1.8 |
0.670 |
4 |
0 |
0 |
0.023 |
Average: |
456.7 |
-1.4 |
0.694 |
4 |
0 |
0 |
0.023 |
7 |
25 |
|
E |
44 |
9 |
12370 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
47 |
10 |
12245 |
425.6 |
-7.0 |
0.159 |
0 |
0 |
0 |
0.049 |
26 |
|
H |
44 |
9 |
12252 |
◊ |
A |
x,y,z |
1_555 |
44 |
10 |
12232 |
403.7 |
-5.9 |
0.218 |
0 |
0 |
0 |
0.049 |
Average: |
414.7 |
-6.4 |
0.189 |
0 |
0 |
0 |
0.049 |
8 |
27 |
|
[1JT]G:301 |
23 |
1 |
523 |
◊ |
G |
x,y,z |
1_555 |
58 |
19 |
12324 |
353.8 |
-1.1 |
0.296 |
0 |
0 |
0 |
0.036 |
28 |
|
[1JT]F:301 |
23 |
1 |
524 |
◊ |
F |
x,y,z |
1_555 |
54 |
18 |
12299 |
353.2 |
-1.0 |
0.292 |
0 |
0 |
0 |
0.036 |
29 |
|
[1JT]B:301 |
23 |
1 |
524 |
◊ |
B |
x,y,z |
1_555 |
57 |
19 |
12245 |
352.7 |
-1.0 |
0.290 |
0 |
0 |
0 |
0.036 |
30 |
|
[1JT]H:301 |
23 |
1 |
525 |
◊ |
H |
x,y,z |
1_555 |
53 |
18 |
12252 |
352.4 |
-1.0 |
0.261 |
0 |
0 |
0 |
0.036 |
31 |
|
[1JT]C:301 |
23 |
1 |
522 |
◊ |
C |
x,y,z |
1_555 |
58 |
19 |
12277 |
351.7 |
-0.9 |
0.308 |
0 |
0 |
0 |
0.036 |
32 |
|
[1JT]A:301 |
23 |
1 |
522 |
◊ |
A |
x,y,z |
1_555 |
59 |
19 |
12232 |
351.2 |
-0.9 |
0.303 |
0 |
0 |
0 |
0.036 |
33 |
|
[1JT]D:301 |
22 |
1 |
524 |
◊ |
D |
x,y,z |
1_555 |
57 |
18 |
12422 |
350.8 |
-1.1 |
0.297 |
0 |
0 |
0 |
0.036 |
34 |
|
[1JT]E:301 |
23 |
1 |
522 |
◊ |
E |
x,y,z |
1_555 |
54 |
18 |
12370 |
350.0 |
-1.0 |
0.273 |
0 |
0 |
0 |
0.036 |
Average: |
352.0 |
-1.0 |
0.290 |
0 |
0 |
0 |
0.036 |
9 |
35 |
|
B |
39 |
12 |
12245 |
◊ |
E |
x-1/2,-y-1/2,-z |
3_445 |
33 |
11 |
12370 |
331.5 |
-0.7 |
0.680 |
1 |
1 |
0 |
0.000 |
36 |
|
A |
32 |
11 |
12232 |
◊ |
F |
x-1/2,-y+1/2,-z |
3_455 |
37 |
11 |
12299 |
327.5 |
-0.9 |
0.667 |
1 |
1 |
0 |
0.000 |
37 |
|
H |
42 |
14 |
12252 |
◊ |
D |
x-1/2,-y-1/2,-z |
3_445 |
29 |
11 |
12422 |
307.9 |
-0.0 |
0.734 |
2 |
1 |
0 |
0.000 |
38 |
|
G |
27 |
11 |
12324 |
◊ |
C |
x-1/2,-y+1/2,-z |
3_455 |
38 |
12 |
12277 |
295.9 |
-1.3 |
0.613 |
1 |
0 |
0 |
0.000 |
Average: |
315.7 |
-0.7 |
0.674 |
1 |
1 |
0 |
0.000 |
10 |
39 |
|
H |
23 |
8 |
12252 |
◊ |
D |
x,y,z |
1_555 |
28 |
10 |
12422 |
216.2 |
-3.0 |
0.266 |
2 |
0 |
0 |
0.062 |
40 |
|
E |
22 |
7 |
12370 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
8 |
12277 |
208.3 |
-3.0 |
0.254 |
3 |
0 |
0 |
0.062 |
41 |
|
G |
23 |
8 |
12324 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
7 |
12245 |
204.9 |
-3.2 |
0.216 |
3 |
0 |
0 |
0.062 |
42 |
|
F |
22 |
7 |
12299 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
12232 |
198.0 |
-2.2 |
0.334 |
3 |
0 |
0 |
0.062 |
Average: |
206.9 |
-2.8 |
0.268 |
3 |
0 |
0 |
0.062 |
11 |
43 |
|
[GOL]B:304 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
12245 |
118.8 |
-0.4 |
0.560 |
8 |
0 |
0 |
0.066 |
12 |
44 |
|
[GOL]B:305 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
12245 |
115.3 |
0.4 |
0.653 |
4 |
0 |
0 |
0.023 |
13 |
45 |
|
H |
8 |
3 |
12252 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12245 |
111.6 |
2.8 |
0.920 |
1 |
1 |
0 |
0.000 |
46 |
|
E |
5 |
2 |
12370 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12422 |
48.9 |
-0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
Average: |
80.3 |
1.3 |
0.748 |
1 |
1 |
0 |
0.000 |
14 |
47 |
|
[GOL]E:303 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
22 |
9 |
12370 |
109.7 |
-0.3 |
0.565 |
3 |
0 |
0 |
0.030 |
15 |
48 |
|
[GOL]A:303 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
12232 |
108.0 |
-0.3 |
0.563 |
3 |
0 |
0 |
0.030 |
16 |
49 |
|
[GOL]F:303 |
5 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
20 |
9 |
12252 |
105.1 |
-0.5 |
0.537 |
3 |
0 |
0 |
0.029 |
17 |
50 |
|
[GOL]B:303 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
12245 |
105.1 |
-0.4 |
0.630 |
2 |
0 |
0 |
0.022 |
18 |
51 |
|
E |
7 |
3 |
12370 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
12232 |
93.1 |
1.1 |
0.834 |
0 |
1 |
0 |
0.000 |
52 |
|
F |
9 |
3 |
12299 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
3 |
12245 |
72.5 |
0.2 |
0.695 |
1 |
1 |
0 |
0.000 |
53 |
|
G |
5 |
3 |
12324 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12232 |
42.0 |
0.5 |
0.753 |
1 |
1 |
0 |
0.000 |
54 |
|
G |
9 |
4 |
12324 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
12422 |
34.8 |
-0.3 |
0.588 |
0 |
0 |
0 |
0.000 |
55 |
|
H |
2 |
2 |
12252 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
12277 |
11.0 |
-0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
56 |
|
F |
4 |
2 |
12299 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12277 |
8.3 |
-0.2 |
0.491 |
0 |
0 |
0 |
0.000 |
Average: |
43.6 |
0.2 |
0.638 |
0 |
1 |
0 |
0.000 |
19 |
57 |
|
[ACT]E:304 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
15 |
4 |
12370 |
87.4 |
-0.1 |
0.744 |
1 |
0 |
0 |
0.009 |
20 |
58 |
|
[ACT]H:303 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
13 |
3 |
12252 |
87.0 |
-0.1 |
0.715 |
1 |
0 |
0 |
0.008 |
21 |
59 |
|
[ACT]B:306 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
12245 |
87.0 |
0.1 |
0.754 |
1 |
0 |
0 |
0.006 |
22 |
60 |
|
[ACT]A:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
12232 |
86.2 |
-0.3 |
0.703 |
1 |
0 |
0 |
0.014 |
23 |
61 |
|
[ACT]G:303 |
4 |
1 |
181 |
f |
G |
x,y,z |
1_555 |
12 |
3 |
12324 |
85.6 |
0.0 |
0.743 |
1 |
0 |
0 |
0.008 |
24 |
62 |
|
[ACT]F:304 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
13 |
3 |
12299 |
84.1 |
-0.1 |
0.717 |
2 |
0 |
0 |
0.016 |
25 |
63 |
|
[GOL]B:303 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
12277 |
82.4 |
0.8 |
0.787 |
2 |
0 |
0 |
0.001 |
26 |
64 |
|
[ACT]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
12277 |
82.3 |
-0.2 |
0.697 |
1 |
0 |
0 |
0.011 |
27 |
65 |
|
[GOL]F:303 |
6 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
15 |
8 |
12299 |
78.7 |
0.7 |
0.771 |
2 |
0 |
0 |
0.002 |
28 |
66 |
|
[GOL]E:303 |
6 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
11 |
7 |
12324 |
78.3 |
0.9 |
0.738 |
2 |
0 |
0 |
0.000 |
29 |
67 |
|
B |
8 |
3 |
12245 |
◊ |
H |
x-1/2,-y-1/2,-z |
3_445 |
11 |
3 |
12252 |
77.5 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
68 |
|
F |
10 |
2 |
12299 |
◊ |
C |
x-1/2,-y+1/2,-z |
3_455 |
8 |
3 |
12277 |
76.2 |
-0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
69 |
|
H |
7 |
3 |
12252 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
11 |
3 |
12245 |
74.6 |
-0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
11 |
3 |
12277 |
◊ |
F |
x-1/2,-y+1/2,-z |
3_455 |
8 |
3 |
12299 |
73.3 |
0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
Average: |
75.4 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.000 |
30 |
71 |
|
[GOL]A:303 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
12422 |
77.2 |
0.9 |
0.744 |
2 |
0 |
0 |
0.000 |
31 |
72 |
|
[NAD]G:302 |
12 |
1 |
813 |
◊ |
[1JT]G:301 |
x,y,z |
1_555 |
8 |
1 |
523 |
74.7 |
0.3 |
0.562 |
0 |
0 |
0 |
0.000 |
73 |
|
[NAD]F:302 |
12 |
1 |
814 |
◊ |
[1JT]F:301 |
x,y,z |
1_555 |
8 |
1 |
524 |
74.3 |
0.4 |
0.569 |
0 |
0 |
0 |
0.000 |
74 |
|
[NAD]A:302 |
12 |
1 |
817 |
◊ |
[1JT]A:301 |
x,y,z |
1_555 |
8 |
1 |
522 |
73.7 |
0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
75 |
|
[NAD]C:302 |
11 |
1 |
815 |
◊ |
[1JT]C:301 |
x,y,z |
1_555 |
8 |
1 |
522 |
73.6 |
0.3 |
0.545 |
0 |
0 |
0 |
0.000 |
76 |
|
[NAD]E:302 |
11 |
1 |
816 |
◊ |
[1JT]E:301 |
x,y,z |
1_555 |
8 |
1 |
522 |
73.6 |
0.3 |
0.551 |
0 |
0 |
0 |
0.000 |
77 |
|
[NAD]D:302 |
12 |
1 |
814 |
◊ |
[1JT]D:301 |
x,y,z |
1_555 |
8 |
1 |
524 |
73.5 |
0.2 |
0.560 |
0 |
0 |
0 |
0.000 |
78 |
|
[NAD]H:302 |
11 |
1 |
819 |
◊ |
[1JT]H:301 |
x,y,z |
1_555 |
8 |
1 |
525 |
73.5 |
0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
79 |
|
[NAD]B:302 |
11 |
1 |
816 |
◊ |
[1JT]B:301 |
x,y,z |
1_555 |
8 |
1 |
524 |
73.1 |
0.4 |
0.564 |
0 |
0 |
0 |
0.000 |
Average: |
73.7 |
0.3 |
0.559 |
0 |
0 |
0 |
0.000 |
32 |
80 |
|
[NA]F:305 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
12299 |
49.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.208 |
81 |
|
[NA]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12277 |
48.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.208 |
82 |
|
[NA]H:304 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
12252 |
47.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.208 |
Average: |
48.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.208 |
33 |
83 |
|
[NA]G:304 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
12324 |
48.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.106 |
84 |
|
[NA]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12232 |
47.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
47.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.106 |
34 |
85 |
|
[GOL]B:305 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
12422 |
48.0 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
35 |
86 |
|
[NA]G:304 |
1 |
1 |
125 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
3 |
12370 |
32.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.020 |
87 |
|
[NA]A:305 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
3 |
12422 |
31.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
31.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.020 |
36 |
88 |
|
[1JT]E:301 |
1 |
1 |
522 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
12324 |
26.3 |
-0.9 |
0.139 |
0 |
0 |
0 |
0.034 |
89 |
|
[1JT]H:301 |
2 |
1 |
525 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
12299 |
25.1 |
-1.2 |
0.111 |
0 |
0 |
0 |
0.034 |
90 |
|
[1JT]C:301 |
1 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
12245 |
23.7 |
-0.8 |
0.119 |
0 |
0 |
0 |
0.034 |
91 |
|
[1JT]D:301 |
1 |
1 |
524 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
12232 |
23.6 |
-0.8 |
0.110 |
0 |
0 |
0 |
0.034 |
92 |
|
[1JT]B:301 |
2 |
1 |
524 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12277 |
23.5 |
-1.1 |
0.137 |
0 |
0 |
0 |
0.034 |
93 |
|
[1JT]A:301 |
2 |
1 |
522 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
12422 |
23.4 |
-1.1 |
0.129 |
0 |
0 |
0 |
0.034 |
94 |
|
[1JT]F:301 |
1 |
1 |
524 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
12252 |
22.9 |
-0.7 |
0.111 |
0 |
0 |
0 |
0.034 |
95 |
|
[1JT]G:301 |
2 |
1 |
523 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
12370 |
22.0 |
-1.0 |
0.105 |
0 |
0 |
0 |
0.034 |
Average: |
23.8 |
-0.9 |
0.120 |
0 |
0 |
0 |
0.034 |
37 |
96 |
|
[1JT]D:301 |
1 |
1 |
524 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12299 |
1.3 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
97 |
|
[1JT]G:301 |
1 |
1 |
523 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
12277 |
0.1 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
|