## |
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 |
826 |
140 |
363490 |
◊ |
B |
x,y,z |
1_555 |
741 |
164 |
18388 |
7186.0 |
-134.2 |
0.685 |
159 |
0 |
0 |
0.128 |
2 |
|
0 |
762 |
136 |
363490 |
◊ |
M |
x,y,z |
1_555 |
614 |
138 |
12351 |
6301.0 |
-118.3 |
0.635 |
135 |
0 |
0 |
0.194 |
3 |
|
0 |
733 |
119 |
363490 |
◊ |
A |
x,y,z |
1_555 |
612 |
131 |
14300 |
6169.4 |
-114.8 |
0.600 |
129 |
0 |
0 |
0.237 |
4 |
|
0 |
645 |
111 |
363490 |
◊ |
C |
x,y,z |
1_555 |
527 |
128 |
14329 |
5416.9 |
-85.6 |
0.715 |
110 |
0 |
0 |
0.104 |
5 |
|
0 |
496 |
96 |
363490 |
◊ |
P |
x,y,z |
1_555 |
390 |
93 |
10744 |
4251.3 |
-80.0 |
0.642 |
107 |
0 |
0 |
0.110 |
6 |
|
0 |
522 |
108 |
363490 |
◊ |
L |
x,y,z |
1_555 |
382 |
83 |
11364 |
4066.4 |
-68.3 |
0.557 |
95 |
0 |
0 |
0.105 |
7 |
|
0 |
499 |
98 |
363490 |
◊ |
Y |
x,y,z |
1_555 |
383 |
86 |
10511 |
4062.8 |
-73.4 |
0.714 |
90 |
0 |
0 |
0.101 |
8 |
|
0 |
382 |
69 |
363490 |
◊ |
R |
x,y,z |
1_555 |
328 |
82 |
8439 |
3106.3 |
-54.9 |
0.541 |
70 |
0 |
0 |
0.091 |
9 |
|
0 |
369 |
59 |
363490 |
◊ |
3 |
x,y,z |
1_555 |
315 |
70 |
7783 |
3050.7 |
-62.2 |
0.247 |
54 |
0 |
0 |
0.087 |
10 |
|
0 |
372 |
75 |
363490 |
◊ |
1 |
x,y,z |
1_555 |
264 |
54 |
4851 |
2833.5 |
-55.7 |
0.645 |
54 |
0 |
0 |
0.093 |
11 |
|
0 |
349 |
60 |
363490 |
◊ |
T |
x,y,z |
1_555 |
270 |
67 |
8103 |
2791.1 |
-40.6 |
0.803 |
60 |
0 |
0 |
0.086 |
12 |
|
0 |
317 |
57 |
363490 |
◊ |
H |
x,y,z |
1_555 |
275 |
62 |
9441 |
2679.7 |
-48.2 |
0.492 |
46 |
0 |
0 |
0.084 |
13 |
|
0 |
290 |
60 |
363490 |
◊ |
Q |
x,y,z |
1_555 |
251 |
58 |
6624 |
2475.7 |
-54.3 |
0.495 |
62 |
0 |
0 |
0.090 |
14 |
|
0 |
274 |
49 |
363490 |
◊ |
J |
x,y,z |
1_555 |
249 |
69 |
8452 |
2403.9 |
-36.2 |
0.611 |
47 |
0 |
0 |
0.073 |
15 |
|
0 |
335 |
53 |
363490 |
◊ |
2 |
x,y,z |
1_555 |
227 |
43 |
5104 |
2402.5 |
-31.7 |
0.588 |
32 |
0 |
0 |
0.067 |
16 |
|
9 |
274 |
43 |
19757 |
◊ |
N |
x,y,z |
1_555 |
243 |
65 |
10942 |
2283.1 |
-34.6 |
0.910 |
61 |
0 |
0 |
0.864 |
17 |
|
0 |
235 |
40 |
363490 |
◊ |
W |
x,y,z |
1_555 |
209 |
52 |
8099 |
2036.0 |
-37.0 |
0.377 |
38 |
0 |
0 |
0.074 |
18 |
|
0 |
233 |
45 |
363490 |
◊ |
K |
x,y,z |
1_555 |
200 |
49 |
7227 |
1923.6 |
-32.9 |
0.645 |
47 |
0 |
0 |
0.079 |
19 |
|
0 |
215 |
31 |
363490 |
◊ |
O |
x,y,z |
1_555 |
183 |
50 |
6496 |
1867.7 |
-25.9 |
0.747 |
42 |
0 |
0 |
0.065 |
20 |
|
0 |
208 |
39 |
363490 |
◊ |
X |
x,y,z |
1_555 |
160 |
38 |
5105 |
1681.3 |
-27.7 |
0.625 |
31 |
0 |
0 |
0.061 |
21 |
|
0 |
212 |
37 |
363490 |
◊ |
E |
x,y,z |
1_555 |
169 |
44 |
10136 |
1652.5 |
-22.6 |
0.514 |
24 |
0 |
0 |
0.049 |
22 |
|
9 |
139 |
20 |
19757 |
◊ |
D |
x,y,z |
1_555 |
126 |
35 |
9712 |
1242.6 |
-19.6 |
0.724 |
18 |
0 |
0 |
0.040 |
23 |
|
0 |
171 |
34 |
363490 |
◊ |
Z |
x,y,z |
1_555 |
113 |
34 |
5564 |
1223.8 |
-14.9 |
0.587 |
22 |
0 |
0 |
0.036 |
24 |
|
0 |
127 |
19 |
363490 |
◊ |
N |
x,y,z |
1_555 |
119 |
30 |
10942 |
1122.0 |
-7.9 |
0.401 |
9 |
0 |
0 |
0.014 |
25 |
|
0 |
120 |
19 |
363490 |
◊ |
D |
x,y,z |
1_555 |
119 |
39 |
9712 |
1093.0 |
-12.0 |
0.907 |
26 |
0 |
0 |
0.034 |
26 |
|
Z |
111 |
32 |
5564 |
◊ |
A |
x,y,z |
1_555 |
109 |
36 |
14300 |
1053.8 |
-15.2 |
0.015 |
17 |
3 |
0 |
0.032 |
27 |
|
0 |
115 |
21 |
363490 |
◊ |
V |
x,y,z |
1_555 |
110 |
28 |
4647 |
1011.7 |
-13.6 |
0.778 |
21 |
0 |
0 |
0.032 |
28 |
|
9 |
116 |
23 |
19757 |
◊ |
0 |
x,y,z |
1_555 |
136 |
34 |
363490 |
1007.2 |
-23.5 |
0.960 |
11 |
0 |
0 |
0.042 |
29 |
|
0 |
123 |
27 |
363490 |
◊ |
S |
x,y,z |
1_555 |
106 |
34 |
5196 |
998.4 |
-18.6 |
0.669 |
25 |
0 |
0 |
0.043 |
30 |
|
0 |
111 |
18 |
363490 |
◊ |
I |
x,y,z |
1_555 |
107 |
30 |
4660 |
962.6 |
-18.7 |
0.613 |
14 |
0 |
0 |
0.036 |
31 |
|
M |
80 |
20 |
12351 |
◊ |
F |
x,y,z |
1_555 |
73 |
17 |
6197 |
701.9 |
-8.3 |
0.053 |
9 |
4 |
0 |
0.014 |
32 |
|
0 |
87 |
17 |
363490 |
◊ |
U |
x,y,z |
1_555 |
70 |
19 |
3959 |
681.9 |
-8.8 |
0.799 |
10 |
0 |
0 |
0.018 |
33 |
|
0 |
72 |
10 |
363490 |
◊ |
F |
x,y,z |
1_555 |
58 |
20 |
6197 |
623.4 |
-12.9 |
0.515 |
16 |
0 |
0 |
0.028 |
34 |
|
9 |
68 |
11 |
19757 |
◊ |
W |
x,y,z |
1_555 |
50 |
16 |
8099 |
554.0 |
-7.8 |
0.691 |
7 |
0 |
0 |
0.015 |
35 |
|
U |
49 |
14 |
3959 |
◊ |
K |
x,y,z |
1_555 |
52 |
16 |
7227 |
514.3 |
-7.9 |
0.050 |
7 |
1 |
0 |
0.012 |
36 |
|
Q |
53 |
12 |
6624 |
◊ |
N |
x,y,z |
1_555 |
60 |
16 |
10942 |
509.2 |
-8.5 |
0.047 |
2 |
0 |
0 |
0.000 |
37 |
|
0 |
51 |
9 |
363490 |
◊ |
G |
x,y,z |
1_555 |
49 |
13 |
2756 |
472.9 |
-6.3 |
0.741 |
8 |
0 |
0 |
0.000 |
38 |
|
V |
37 |
10 |
4647 |
◊ |
S |
x,y,z |
1_555 |
39 |
10 |
5196 |
353.6 |
-4.0 |
0.198 |
2 |
2 |
0 |
0.007 |
39 |
|
K |
37 |
13 |
7227 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
37 |
13 |
7227 |
351.1 |
0.2 |
0.483 |
2 |
2 |
0 |
0.000 |
40 |
|
[1MA]0:628 |
23 |
1 |
500 |
cf |
0 |
x,y,z |
1_555 |
46 |
10 |
363490 |
324.6 |
-1.7 |
0.771 |
5 |
0 |
0 |
0.006 |
41 |
|
[OMG]0:2588 |
24 |
1 |
501 |
cf |
0 |
x,y,z |
1_555 |
47 |
7 |
363490 |
290.6 |
-2.3 |
0.801 |
1 |
0 |
0 |
0.004 |
42 |
|
K |
25 |
8 |
7227 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
18388 |
277.1 |
-1.9 |
0.283 |
2 |
0 |
0 |
0.000 |
43 |
|
[OMU]0:2587 |
21 |
1 |
456 |
cf |
0 |
x,y,z |
1_555 |
47 |
11 |
363490 |
276.5 |
-1.2 |
0.818 |
1 |
0 |
0 |
0.002 |
44 |
|
J |
29 |
6 |
8452 |
◊ |
E |
x,y,z |
1_555 |
31 |
8 |
10136 |
272.6 |
-2.8 |
0.166 |
3 |
0 |
0 |
0.005 |
45 |
|
[UR3]0:2619 |
20 |
1 |
452 |
cf |
0 |
x,y,z |
1_555 |
39 |
6 |
363490 |
272.2 |
-1.0 |
0.849 |
0 |
0 |
0 |
0.001 |
46 |
|
2 |
32 |
7 |
5104 |
◊ |
S |
x,y,z |
1_555 |
33 |
9 |
5196 |
262.8 |
-3.2 |
0.188 |
2 |
1 |
0 |
0.006 |
47 |
|
9 |
33 |
8 |
19757 |
◊ |
Q |
x,y,z |
1_555 |
25 |
5 |
6624 |
249.5 |
-3.0 |
0.740 |
4 |
0 |
0 |
0.000 |
48 |
|
[PSU]0:2621 |
18 |
1 |
425 |
cf |
0 |
x,y,z |
1_555 |
42 |
7 |
363490 |
246.7 |
-1.8 |
0.736 |
4 |
0 |
0 |
0.005 |
49 |
|
J |
28 |
10 |
8452 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
18388 |
242.0 |
1.6 |
0.631 |
5 |
1 |
0 |
0.000 |
50 |
|
N |
32 |
9 |
10942 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
9712 |
226.6 |
0.7 |
0.654 |
2 |
0 |
0 |
0.000 |
51 |
|
U |
16 |
5 |
3959 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
18388 |
176.7 |
-1.8 |
0.278 |
4 |
0 |
0 |
0.000 |
52 |
|
0 |
27 |
7 |
363490 |
◊ |
V |
x,-y+1,-z |
4_565 |
18 |
7 |
4647 |
175.8 |
-3.6 |
0.481 |
3 |
0 |
0 |
0.000 |
53 |
|
2 |
20 |
5 |
5104 |
◊ |
1 |
x,y,z |
1_555 |
19 |
6 |
4851 |
175.2 |
-2.3 |
0.250 |
0 |
0 |
0 |
0.003 |
54 |
|
O |
17 |
4 |
6496 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14329 |
173.8 |
-1.0 |
0.303 |
0 |
0 |
0 |
0.000 |
55 |
|
9 |
28 |
3 |
19757 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
2 |
363490 |
167.1 |
0.3 |
0.943 |
0 |
0 |
0 |
0.000 |
56 |
|
3 |
12 |
4 |
7783 |
◊ |
M |
x,y,z |
1_555 |
22 |
6 |
12351 |
163.4 |
-2.4 |
0.126 |
1 |
0 |
0 |
0.002 |
57 |
|
1 |
16 |
4 |
4851 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
14329 |
157.4 |
-0.8 |
0.421 |
3 |
4 |
0 |
0.002 |
58 |
|
0 |
15 |
2 |
363490 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
4 |
363490 |
152.3 |
-5.5 |
0.524 |
1 |
0 |
0 |
0.000 |
59 |
|
[K]0:8402 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
25 |
11 |
363490 |
131.3 |
-87.8 |
0.000 |
0 |
0 |
0 |
0.129 |
60 |
|
9 |
15 |
4 |
19757 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
9441 |
122.8 |
0.1 |
0.731 |
3 |
0 |
0 |
0.000 |
61 |
|
O |
17 |
7 |
6496 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11364 |
122.6 |
-0.3 |
0.401 |
0 |
0 |
0 |
0.000 |
62 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
13 |
7 |
363490 |
117.3 |
-98.0 |
0.000 |
0 |
0 |
0 |
0.143 |
63 |
|
0 |
17 |
2 |
363490 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
17 |
2 |
363490 |
111.8 |
0.1 |
0.902 |
2 |
0 |
0 |
0.000 |
64 |
|
N |
13 |
6 |
10942 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
363490 |
106.5 |
-2.4 |
0.423 |
0 |
0 |
0 |
0.000 |
65 |
|
0 |
17 |
6 |
363490 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
14 |
4 |
10136 |
103.6 |
-0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
66 |
|
T |
16 |
5 |
8103 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
14329 |
90.6 |
-1.0 |
0.303 |
0 |
0 |
0 |
0.000 |
67 |
|
[OMG]0:2588 |
13 |
1 |
501 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
14 |
1 |
456 |
90.5 |
-0.5 |
0.530 |
0 |
0 |
0 |
0.000 |
68 |
|
[CL]0:8805 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
20 |
7 |
363490 |
89.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.017 |
69 |
|
[CL]R:8806 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
9 |
4 |
8439 |
74.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.100 |
70 |
|
[CL]3:8804 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7783 |
70.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.100 |
71 |
|
[CL]M:8818 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
12351 |
68.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
72 |
|
[CD]O:8705 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
20 |
7 |
6496 |
68.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.048 |
73 |
|
[CL]0:8815 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
363490 |
66.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.014 |
74 |
|
[CL]J:8801 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8452 |
65.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.035 |
75 |
|
[1MA]0:628 |
8 |
1 |
500 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10511 |
65.6 |
-2.3 |
0.221 |
0 |
0 |
0 |
0.002 |
76 |
|
[CL]0:8813 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
363490 |
65.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.014 |
77 |
|
[CL]J:8802 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8452 |
62.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.035 |
78 |
|
[CL]A:8809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14300 |
61.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.100 |
79 |
|
W |
7 |
1 |
8099 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
11 |
1 |
363490 |
61.4 |
-0.8 |
0.266 |
0 |
0 |
0 |
0.000 |
80 |
|
[CL]0:8822 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
363490 |
61.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.013 |
81 |
|
[CL]O:8808 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
9 |
4 |
6496 |
61.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.052 |
82 |
|
[CL]N:8807 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
11 |
4 |
10942 |
61.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.122 |
83 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
5 |
363490 |
60.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
84 |
|
[CL]0:8814 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11364 |
60.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.045 |
85 |
|
[CL]L:8810 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
11364 |
60.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.055 |
86 |
|
[CL]0:8803 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
363490 |
59.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.011 |
87 |
|
[CL]B:8819 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18388 |
58.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
88 |
|
[CL]0:8811 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
10 |
5 |
6624 |
58.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.100 |
89 |
|
[CL]J:8821 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
8452 |
57.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.030 |
90 |
|
Y |
7 |
1 |
10511 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
11364 |
57.4 |
0.8 |
0.655 |
0 |
0 |
0 |
0.000 |
91 |
|
[CL]0:8816 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
8452 |
55.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.007 |
92 |
|
[CL]0:8817 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
10511 |
53.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.006 |
93 |
|
[CL]0:8816 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
363490 |
51.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.009 |
94 |
|
[CL]0:8817 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
3 |
363490 |
51.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
95 |
|
[CL]K:8812 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
7227 |
51.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.100 |
96 |
|
9 |
7 |
2 |
19757 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
18388 |
50.3 |
-0.1 |
0.724 |
2 |
0 |
0 |
0.000 |
97 |
|
[CL]K:8812 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
11 |
4 |
363490 |
47.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.008 |
98 |
|
[CL]Y:8820 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10511 |
45.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.004 |
99 |
|
[K]0:8402 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
7 |
1 |
12351 |
44.8 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.026 |
100 |
|
[CL]0:8814 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
363490 |
43.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.005 |
101 |
|
[CL]O:8808 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
363490 |
40.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.006 |
102 |
|
[CL]B:8819 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
3 |
363490 |
39.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.003 |
103 |
|
0 |
4 |
2 |
363490 |
◊ |
F |
x,-y+1,-z |
4_565 |
4 |
1 |
6197 |
36.0 |
-1.8 |
0.310 |
0 |
0 |
0 |
0.000 |
104 |
|
[CL]L:8810 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
363490 |
35.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.004 |
105 |
|
[CL]0:8811 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
363490 |
34.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.005 |
106 |
|
D |
5 |
1 |
9712 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
18388 |
30.4 |
-0.4 |
0.493 |
0 |
0 |
0 |
0.000 |
107 |
|
3 |
3 |
1 |
7783 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11364 |
29.9 |
0.7 |
0.462 |
0 |
0 |
0 |
0.000 |
108 |
|
[CL]J:8821 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
363490 |
29.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.005 |
109 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
9712 |
28.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
110 |
|
[CL]0:8803 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5104 |
27.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
111 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10136 |
26.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
112 |
|
[CL]A:8809 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
363490 |
20.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.004 |
113 |
|
M |
1 |
1 |
12351 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14300 |
17.6 |
0.9 |
0.856 |
0 |
0 |
0 |
0.000 |
114 |
|
[CL]0:8822 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
8099 |
14.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
115 |
|
[CL]0:8813 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10511 |
12.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
[CL]R:8806 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
363490 |
11.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
117 |
|
G |
4 |
1 |
2756 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
363490 |
11.6 |
0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
118 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19757 |
6.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
119 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
[CL]0:8813 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
120 |
|
N |
1 |
1 |
10942 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10744 |
5.7 |
-0.0 |
0.434 |
0 |
0 |
0 |
0.000 |
121 |
|
[CL]J:8802 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
363490 |
3.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
122 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
363490 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
123 |
|
I |
1 |
1 |
4660 |
◊ |
X |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
5105 |
0.6 |
-0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
|