| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
0 |
822 |
140 |
365960 |
◊ |
B |
x,y,z |
1_555 |
750 |
167 |
18440 |
7196.8 |
-135.4 |
0.574 |
165 |
0 |
0 |
0.131 |
2 |
|
0 |
762 |
140 |
365960 |
◊ |
L |
x,y,z |
1_555 |
619 |
136 |
12416 |
6300.9 |
-116.8 |
0.633 |
145 |
0 |
0 |
0.192 |
3 |
|
0 |
730 |
117 |
365960 |
◊ |
A |
x,y,z |
1_555 |
606 |
131 |
14250 |
6157.2 |
-116.9 |
0.522 |
129 |
0 |
0 |
0.229 |
4 |
|
0 |
650 |
111 |
365960 |
◊ |
C |
x,y,z |
1_555 |
529 |
129 |
14415 |
5436.3 |
-87.1 |
0.722 |
110 |
0 |
0 |
0.106 |
5 |
|
0 |
487 |
96 |
365960 |
◊ |
O |
x,y,z |
1_555 |
397 |
93 |
10740 |
4212.8 |
-78.0 |
0.649 |
107 |
0 |
0 |
0.110 |
6 |
|
0 |
496 |
95 |
365960 |
◊ |
X |
x,y,z |
1_555 |
384 |
87 |
10442 |
4061.1 |
-73.4 |
0.698 |
88 |
0 |
0 |
0.105 |
7 |
|
0 |
513 |
107 |
365960 |
◊ |
K |
x,y,z |
1_555 |
375 |
82 |
11355 |
4037.3 |
-66.0 |
0.601 |
96 |
0 |
0 |
0.105 |
8 |
|
0 |
382 |
69 |
365960 |
◊ |
Q |
x,y,z |
1_555 |
328 |
81 |
8429 |
3106.8 |
-52.5 |
0.585 |
66 |
0 |
0 |
0.088 |
9 |
|
0 |
369 |
59 |
365960 |
◊ |
2 |
x,y,z |
1_555 |
313 |
68 |
7732 |
3040.4 |
-61.5 |
0.276 |
55 |
0 |
0 |
0.089 |
10 |
|
0 |
370 |
76 |
365960 |
◊ |
Z |
x,y,z |
1_555 |
264 |
54 |
4873 |
2851.5 |
-55.5 |
0.605 |
57 |
0 |
0 |
0.091 |
11 |
|
0 |
345 |
58 |
365960 |
◊ |
S |
x,y,z |
1_555 |
278 |
68 |
8110 |
2819.5 |
-41.0 |
0.800 |
60 |
0 |
0 |
0.089 |
12 |
|
0 |
322 |
58 |
365960 |
◊ |
H |
x,y,z |
1_555 |
273 |
60 |
9506 |
2666.6 |
-46.4 |
0.544 |
49 |
0 |
0 |
0.086 |
13 |
|
0 |
294 |
58 |
365960 |
◊ |
P |
x,y,z |
1_555 |
249 |
58 |
6652 |
2483.4 |
-52.5 |
0.511 |
63 |
0 |
0 |
0.095 |
14 |
|
0 |
280 |
49 |
365960 |
◊ |
I |
x,y,z |
1_555 |
252 |
69 |
8486 |
2418.8 |
-34.9 |
0.688 |
41 |
0 |
0 |
0.075 |
15 |
|
0 |
332 |
54 |
365960 |
◊ |
1 |
x,y,z |
1_555 |
220 |
43 |
5085 |
2390.1 |
-28.7 |
0.634 |
30 |
0 |
0 |
0.059 |
16 |
|
9 |
268 |
43 |
19675 |
◊ |
M |
x,y,z |
1_555 |
240 |
65 |
10689 |
2280.5 |
-31.9 |
0.922 |
60 |
0 |
0 |
0.861 |
17 |
|
0 |
234 |
39 |
365960 |
◊ |
V |
x,y,z |
1_555 |
207 |
53 |
8149 |
2039.9 |
-37.4 |
0.368 |
39 |
0 |
0 |
0.072 |
18 |
|
0 |
233 |
45 |
365960 |
◊ |
J |
x,y,z |
1_555 |
200 |
49 |
7259 |
1934.3 |
-30.9 |
0.687 |
48 |
0 |
0 |
0.073 |
19 |
|
0 |
213 |
31 |
365960 |
◊ |
N |
x,y,z |
1_555 |
188 |
50 |
6534 |
1850.3 |
-26.3 |
0.728 |
45 |
0 |
0 |
0.065 |
20 |
|
0 |
214 |
40 |
365960 |
◊ |
W |
x,y,z |
1_555 |
163 |
38 |
5125 |
1688.2 |
-26.4 |
0.665 |
32 |
0 |
0 |
0.057 |
21 |
|
0 |
205 |
36 |
365960 |
◊ |
E |
x,y,z |
1_555 |
170 |
44 |
10160 |
1657.0 |
-24.1 |
0.328 |
24 |
0 |
0 |
0.049 |
22 |
|
9 |
144 |
20 |
19675 |
◊ |
D |
x,y,z |
1_555 |
129 |
35 |
9713 |
1281.5 |
-19.1 |
0.707 |
15 |
0 |
0 |
0.036 |
23 |
|
0 |
159 |
33 |
365960 |
◊ |
Y |
x,y,z |
1_555 |
109 |
32 |
5490 |
1159.1 |
-13.1 |
0.711 |
21 |
0 |
0 |
0.029 |
24 |
|
0 |
126 |
19 |
365960 |
◊ |
M |
x,y,z |
1_555 |
119 |
29 |
10689 |
1111.7 |
-8.5 |
0.343 |
12 |
0 |
0 |
0.017 |
25 |
|
0 |
119 |
19 |
365960 |
◊ |
D |
x,y,z |
1_555 |
120 |
38 |
9713 |
1097.1 |
-10.9 |
0.910 |
21 |
0 |
0 |
0.028 |
26 |
|
Y |
111 |
33 |
5490 |
◊ |
A |
x,y,z |
1_555 |
112 |
34 |
14250 |
1043.0 |
-14.7 |
0.019 |
18 |
3 |
0 |
0.738 |
27 |
|
9 |
123 |
23 |
19675 |
◊ |
0 |
x,y,z |
1_555 |
141 |
35 |
365960 |
1040.9 |
-22.3 |
0.972 |
12 |
0 |
0 |
0.039 |
28 |
|
0 |
125 |
27 |
365960 |
◊ |
R |
x,y,z |
1_555 |
98 |
33 |
5207 |
1001.5 |
-18.9 |
0.689 |
23 |
0 |
0 |
0.041 |
29 |
|
0 |
113 |
21 |
365960 |
◊ |
U |
x,y,z |
1_555 |
111 |
28 |
4570 |
988.2 |
-12.9 |
0.755 |
19 |
0 |
0 |
0.028 |
30 |
|
L |
75 |
21 |
12416 |
◊ |
F |
x,y,z |
1_555 |
72 |
18 |
6164 |
704.8 |
-9.1 |
0.039 |
9 |
4 |
0 |
0.015 |
31 |
|
0 |
90 |
15 |
365960 |
◊ |
T |
x,y,z |
1_555 |
69 |
19 |
3951 |
683.7 |
-9.1 |
0.825 |
10 |
0 |
0 |
0.014 |
32 |
|
4 |
59 |
4 |
1069 |
◊ |
0 |
x,y,z |
1_555 |
83 |
14 |
365960 |
665.7 |
-3.9 |
0.721 |
11 |
0 |
0 |
0.000 |
33 |
|
0 |
69 |
10 |
365960 |
◊ |
F |
x,y,z |
1_555 |
56 |
20 |
6164 |
622.3 |
-12.9 |
0.486 |
16 |
0 |
0 |
0.026 |
34 |
|
9 |
67 |
11 |
19675 |
◊ |
V |
x,y,z |
1_555 |
53 |
18 |
8149 |
550.7 |
-7.3 |
0.716 |
7 |
0 |
0 |
0.013 |
35 |
|
T |
54 |
15 |
3951 |
◊ |
J |
x,y,z |
1_555 |
50 |
16 |
7259 |
509.9 |
-7.7 |
0.064 |
5 |
1 |
0 |
0.000 |
36 |
|
P |
49 |
13 |
6652 |
◊ |
M |
x,y,z |
1_555 |
59 |
18 |
10689 |
503.3 |
-8.0 |
0.058 |
2 |
0 |
0 |
0.000 |
37 |
|
0 |
52 |
9 |
365960 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
2758 |
457.3 |
-6.5 |
0.747 |
9 |
0 |
0 |
0.011 |
38 |
|
J |
36 |
13 |
7259 |
◊ |
J |
-x+1,y,-z+1/2 |
3_655 |
36 |
13 |
7259 |
373.1 |
-0.3 |
0.421 |
4 |
4 |
0 |
0.000 |
39 |
|
U |
35 |
9 |
4570 |
◊ |
R |
x,y,z |
1_555 |
38 |
9 |
5207 |
345.7 |
-4.6 |
0.148 |
0 |
1 |
0 |
0.006 |
40 |
|
[ZLD]0:9500 |
24 |
1 |
529 |
f |
0 |
x,y,z |
1_555 |
60 |
8 |
365960 |
333.4 |
6.7 |
0.664 |
3 |
0 |
0 |
0.000 |
41 |
|
J |
26 |
10 |
7259 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
18440 |
287.1 |
-1.7 |
0.300 |
2 |
0 |
0 |
0.000 |
42 |
|
I |
28 |
6 |
8486 |
◊ |
E |
x,y,z |
1_555 |
31 |
8 |
10160 |
273.2 |
-3.4 |
0.125 |
2 |
0 |
0 |
0.006 |
43 |
|
1 |
33 |
7 |
5085 |
◊ |
R |
x,y,z |
1_555 |
32 |
9 |
5207 |
264.5 |
-2.7 |
0.217 |
2 |
2 |
0 |
0.005 |
44 |
|
9 |
33 |
7 |
19675 |
◊ |
P |
x,y,z |
1_555 |
25 |
5 |
6652 |
251.9 |
-2.7 |
0.747 |
4 |
0 |
0 |
0.000 |
45 |
|
I |
27 |
9 |
8486 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
18440 |
237.8 |
0.8 |
0.558 |
7 |
1 |
0 |
0.000 |
46 |
|
M |
32 |
9 |
10689 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9713 |
214.1 |
0.7 |
0.658 |
2 |
0 |
0 |
0.000 |
47 |
|
N |
16 |
4 |
6534 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14415 |
180.5 |
-1.6 |
0.230 |
0 |
0 |
0 |
0.000 |
48 |
|
9 |
31 |
4 |
19675 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
24 |
3 |
365960 |
179.8 |
-0.1 |
0.938 |
1 |
0 |
0 |
0.000 |
49 |
|
1 |
21 |
5 |
5085 |
◊ |
Z |
x,y,z |
1_555 |
20 |
7 |
4873 |
176.1 |
-2.5 |
0.225 |
0 |
0 |
0 |
0.003 |
50 |
|
T |
16 |
5 |
3951 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
18440 |
174.6 |
-1.3 |
0.352 |
4 |
0 |
0 |
0.000 |
51 |
|
0 |
31 |
5 |
365960 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
31 |
5 |
365960 |
161.8 |
1.4 |
0.976 |
2 |
0 |
0 |
0.000 |
52 |
|
Z |
15 |
4 |
4873 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
14415 |
161.7 |
-1.0 |
0.393 |
4 |
3 |
0 |
0.003 |
53 |
|
0 |
24 |
6 |
365960 |
◊ |
U |
x,-y+1,-z |
4_565 |
15 |
6 |
4570 |
160.7 |
-3.1 |
0.446 |
1 |
0 |
0 |
0.000 |
54 |
|
0 |
17 |
2 |
365960 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
4 |
365960 |
157.0 |
-5.7 |
0.552 |
2 |
0 |
0 |
0.000 |
55 |
|
2 |
12 |
4 |
7732 |
◊ |
L |
x,y,z |
1_555 |
21 |
6 |
12416 |
149.0 |
-2.6 |
0.120 |
1 |
0 |
0 |
0.002 |
56 |
|
[K]0:8402 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
23 |
10 |
365960 |
130.7 |
-87.5 |
0.000 |
0 |
0 |
0 |
0.123 |
57 |
|
N |
15 |
6 |
6534 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
11355 |
113.8 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
58 |
|
9 |
13 |
4 |
19675 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
9506 |
104.8 |
0.4 |
0.726 |
2 |
0 |
0 |
0.000 |
59 |
|
M |
14 |
7 |
10689 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
365960 |
104.0 |
-2.4 |
0.453 |
0 |
0 |
0 |
0.000 |
60 |
|
0 |
20 |
7 |
365960 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
13 |
5 |
10160 |
104.0 |
-0.1 |
0.829 |
0 |
0 |
0 |
0.000 |
61 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
17 |
6 |
365960 |
101.5 |
-87.5 |
0.000 |
0 |
0 |
0 |
0.123 |
62 |
|
[CL]0:8805 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
19 |
7 |
365960 |
87.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.016 |
63 |
|
S |
17 |
5 |
8110 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14415 |
87.8 |
-0.9 |
0.320 |
0 |
0 |
0 |
0.000 |
64 |
|
[CL]Q:8806 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
10 |
4 |
8429 |
74.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.100 |
65 |
|
[CL]2:8804 |
1 |
1 |
125 |
f |
2 |
x,y,z |
1_555 |
13 |
6 |
7732 |
69.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.100 |
66 |
|
[ACE]4:78 |
3 |
1 |
172 |
◊ |
0 |
x,y,z |
1_555 |
14 |
6 |
365960 |
68.0 |
-0.4 |
0.905 |
1 |
0 |
0 |
0.000 |
67 |
|
V |
8 |
2 |
8149 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
365960 |
67.5 |
-1.1 |
0.271 |
0 |
0 |
0 |
0.000 |
68 |
|
[CL]0:8815 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
365960 |
67.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.014 |
69 |
|
[CL]L:8818 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
10 |
7 |
12416 |
67.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.100 |
70 |
|
[CL]0:8813 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
4 |
365960 |
66.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.013 |
71 |
|
[CD]N:8705 |
1 |
1 |
112 |
f |
N |
x,y,z |
1_555 |
16 |
6 |
6534 |
66.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.050 |
72 |
|
[CL]I:8802 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
8486 |
64.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.037 |
73 |
|
[CL]N:8808 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
10 |
5 |
6534 |
63.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.050 |
74 |
|
[CL]I:8801 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
12 |
4 |
8486 |
63.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.033 |
75 |
|
[CL]0:8822 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
365960 |
62.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.013 |
76 |
|
[CL]A:8809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14250 |
61.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.262 |
77 |
|
[CL]0:8814 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
12 |
4 |
11355 |
61.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.045 |
78 |
|
[CL]X:8820 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
5 |
365960 |
61.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.008 |
79 |
|
[CL]K:8810 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
14 |
4 |
11355 |
61.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.055 |
80 |
|
[CL]0:8803 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
365960 |
59.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.010 |
81 |
|
[CL]M:8807 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
4 |
10689 |
58.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.122 |
82 |
|
[CL]B:8819 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18440 |
57.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
83 |
|
[CL]0:8811 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
11 |
6 |
6652 |
57.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.100 |
84 |
|
[CL]I:8821 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
11 |
6 |
8486 |
57.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.030 |
85 |
|
X |
7 |
1 |
10442 |
◊ |
K |
x,y,z |
1_555 |
9 |
4 |
11355 |
56.3 |
0.6 |
0.619 |
0 |
0 |
0 |
0.000 |
86 |
|
[CL]0:8817 |
1 |
1 |
125 |
◊ |
X |
x,y,z |
1_555 |
7 |
3 |
10442 |
55.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.006 |
87 |
|
[CL]0:8816 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
8486 |
54.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.008 |
88 |
|
[ZLD]0:9500 |
8 |
1 |
529 |
◊ |
4 |
x,y,z |
1_555 |
9 |
2 |
1069 |
53.2 |
2.2 |
0.460 |
0 |
0 |
0 |
0.000 |
89 |
|
[ACE]4:78 |
3 |
1 |
172 |
◊ |
[ZLD]0:9500 |
x,y,z |
1_555 |
12 |
1 |
529 |
52.2 |
-0.0 |
0.217 |
0 |
0 |
0 |
0.000 |
90 |
|
[CL]0:8817 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
3 |
365960 |
52.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
91 |
|
9 |
7 |
2 |
19675 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
18440 |
52.2 |
0.9 |
0.810 |
2 |
0 |
0 |
0.000 |
92 |
|
[CL]0:8816 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
365960 |
51.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.009 |
93 |
|
[CL]J:8812 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
7259 |
50.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.100 |
94 |
|
[ACE]4:78 |
3 |
1 |
172 |
cf |
4 |
x,y,z |
1_555 |
8 |
1 |
1069 |
50.4 |
-0.4 |
0.751 |
0 |
0 |
0 |
0.100 |
95 |
|
[CL]J:8812 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
4 |
365960 |
47.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.008 |
96 |
|
[CL]X:8820 |
1 |
1 |
125 |
◊ |
X |
x,y,z |
1_555 |
6 |
3 |
10442 |
45.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.004 |
97 |
|
[K]0:8402 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
7 |
1 |
12416 |
45.3 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.026 |
98 |
|
[CL]0:8814 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
1 |
365960 |
42.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.005 |
99 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
[ZLD]0:9500 |
x,y,z |
1_555 |
3 |
1 |
529 |
41.8 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.027 |
100 |
|
[CL]N:8808 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
365960 |
41.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.006 |
101 |
|
[CL]B:8819 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
3 |
365960 |
40.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
102 |
|
[CL]0:8811 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
365960 |
36.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
103 |
|
0 |
3 |
2 |
365960 |
◊ |
F |
x,-y+1,-z |
4_565 |
4 |
1 |
6164 |
35.6 |
-1.8 |
0.284 |
0 |
0 |
0 |
0.000 |
104 |
|
[CL]K:8810 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365960 |
35.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.004 |
105 |
|
[CL]I:8821 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365960 |
33.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.006 |
106 |
|
[CL]M:8807 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9713 |
31.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
107 |
|
[CL]0:8803 |
1 |
1 |
125 |
◊ |
1 |
x,y,z |
1_555 |
3 |
1 |
5085 |
30.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.005 |
108 |
|
2 |
3 |
1 |
7732 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
11355 |
29.4 |
0.7 |
0.468 |
0 |
0 |
0 |
0.000 |
109 |
|
D |
7 |
1 |
9713 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
18440 |
28.7 |
-0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
110 |
|
[CL]I:8801 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10160 |
26.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
111 |
|
[CL]A:8809 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
365960 |
22.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
112 |
|
G |
3 |
1 |
2758 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
365960 |
19.2 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
113 |
|
[CL]Q:8806 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
365960 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
114 |
|
[CL]0:8822 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
8149 |
11.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
115 |
|
[CL]0:8813 |
1 |
1 |
125 |
◊ |
X |
x,y,z |
1_555 |
1 |
1 |
10442 |
11.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
[CL]M:8807 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
3 |
2 |
19675 |
8.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
117 |
|
[CL]X:8820 |
1 |
1 |
125 |
f |
[CL]0:8813 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.002 |
118 |
|
L |
2 |
1 |
12416 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14250 |
6.8 |
0.3 |
0.738 |
0 |
0 |
0 |
0.000 |
119 |
|
M |
1 |
1 |
10689 |
◊ |
O |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
10740 |
5.7 |
-0.0 |
0.473 |
0 |
0 |
0 |
0.000 |
120 |
|
[CL]I:8801 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365960 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
121 |
|
[CL]I:8802 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365960 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
122 |
|
[CD]N:8705 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365960 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|