## |
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 |
144 |
363663 |
◊ |
B |
x,y,z |
1_555 |
746 |
166 |
18226 |
7157.6 |
-136.5 |
0.648 |
157 |
0 |
0 |
0.123 |
2 |
|
0 |
759 |
140 |
363663 |
◊ |
M |
x,y,z |
1_555 |
608 |
135 |
12404 |
6269.6 |
-119.7 |
0.633 |
134 |
0 |
0 |
0.203 |
3 |
|
0 |
727 |
118 |
363663 |
◊ |
A |
x,y,z |
1_555 |
609 |
132 |
14126 |
6129.6 |
-114.0 |
0.625 |
134 |
0 |
0 |
0.232 |
4 |
|
0 |
653 |
109 |
363663 |
◊ |
C |
x,y,z |
1_555 |
507 |
127 |
14351 |
5382.7 |
-87.2 |
0.755 |
102 |
0 |
0 |
0.108 |
5 |
|
0 |
489 |
95 |
363663 |
◊ |
P |
x,y,z |
1_555 |
389 |
94 |
10614 |
4178.9 |
-78.8 |
0.630 |
101 |
0 |
0 |
0.107 |
6 |
|
0 |
513 |
109 |
363663 |
◊ |
L |
x,y,z |
1_555 |
373 |
82 |
11292 |
4026.6 |
-60.9 |
0.772 |
91 |
0 |
0 |
0.099 |
7 |
|
0 |
492 |
95 |
363663 |
◊ |
Y |
x,y,z |
1_555 |
384 |
87 |
10374 |
4015.3 |
-70.2 |
0.812 |
93 |
0 |
0 |
0.103 |
8 |
|
0 |
377 |
70 |
363663 |
◊ |
R |
x,y,z |
1_555 |
328 |
82 |
8384 |
3075.1 |
-57.6 |
0.448 |
70 |
0 |
0 |
0.093 |
9 |
|
0 |
366 |
59 |
363663 |
◊ |
3 |
x,y,z |
1_555 |
322 |
68 |
7671 |
3034.6 |
-63.6 |
0.254 |
61 |
0 |
0 |
0.088 |
10 |
|
0 |
373 |
76 |
363663 |
◊ |
1 |
x,y,z |
1_555 |
267 |
54 |
4863 |
2817.6 |
-54.7 |
0.612 |
60 |
0 |
0 |
0.090 |
11 |
|
0 |
343 |
58 |
363663 |
◊ |
T |
x,y,z |
1_555 |
272 |
68 |
8095 |
2766.2 |
-38.2 |
0.854 |
55 |
0 |
0 |
0.077 |
12 |
|
0 |
316 |
55 |
363663 |
◊ |
H |
x,y,z |
1_555 |
272 |
60 |
9369 |
2669.6 |
-47.4 |
0.439 |
54 |
0 |
0 |
0.088 |
13 |
|
0 |
294 |
60 |
363663 |
◊ |
Q |
x,y,z |
1_555 |
256 |
59 |
6629 |
2493.1 |
-53.1 |
0.564 |
60 |
0 |
0 |
0.092 |
14 |
|
0 |
274 |
49 |
363663 |
◊ |
J |
x,y,z |
1_555 |
256 |
68 |
8451 |
2403.4 |
-34.6 |
0.663 |
42 |
0 |
0 |
0.075 |
15 |
|
0 |
331 |
52 |
363663 |
◊ |
2 |
x,y,z |
1_555 |
226 |
43 |
5060 |
2370.2 |
-30.3 |
0.552 |
29 |
0 |
0 |
0.061 |
16 |
|
9 |
268 |
41 |
19802 |
◊ |
N |
x,y,z |
1_555 |
235 |
65 |
10800 |
2292.9 |
-36.4 |
0.891 |
61 |
0 |
0 |
0.870 |
17 |
|
0 |
236 |
39 |
363663 |
◊ |
W |
x,y,z |
1_555 |
198 |
53 |
8093 |
2026.4 |
-38.3 |
0.309 |
41 |
0 |
0 |
0.071 |
18 |
|
0 |
224 |
45 |
363663 |
◊ |
K |
x,y,z |
1_555 |
198 |
50 |
7186 |
1910.5 |
-31.4 |
0.681 |
53 |
0 |
0 |
0.073 |
19 |
|
0 |
209 |
31 |
363663 |
◊ |
O |
x,y,z |
1_555 |
183 |
50 |
6451 |
1814.8 |
-26.1 |
0.744 |
40 |
0 |
0 |
0.062 |
20 |
|
0 |
208 |
40 |
363663 |
◊ |
X |
x,y,z |
1_555 |
162 |
38 |
5032 |
1663.1 |
-27.6 |
0.687 |
34 |
0 |
0 |
0.060 |
21 |
|
0 |
211 |
37 |
363663 |
◊ |
E |
x,y,z |
1_555 |
162 |
44 |
10119 |
1647.0 |
-24.4 |
0.380 |
19 |
0 |
0 |
0.046 |
22 |
|
9 |
145 |
20 |
19802 |
◊ |
D |
x,y,z |
1_555 |
120 |
34 |
9637 |
1255.3 |
-20.5 |
0.664 |
18 |
0 |
0 |
0.272 |
23 |
|
0 |
158 |
32 |
363663 |
◊ |
Z |
x,y,z |
1_555 |
119 |
34 |
5499 |
1212.7 |
-13.8 |
0.743 |
22 |
0 |
0 |
0.033 |
24 |
|
0 |
127 |
19 |
363663 |
◊ |
N |
x,y,z |
1_555 |
114 |
29 |
10800 |
1100.8 |
-8.0 |
0.349 |
11 |
0 |
0 |
0.015 |
25 |
|
0 |
119 |
19 |
363663 |
◊ |
D |
x,y,z |
1_555 |
122 |
40 |
9637 |
1072.8 |
-11.1 |
0.912 |
15 |
0 |
0 |
0.025 |
26 |
|
Z |
108 |
31 |
5499 |
◊ |
A |
x,y,z |
1_555 |
116 |
37 |
14126 |
1033.1 |
-14.7 |
0.018 |
18 |
2 |
0 |
0.031 |
27 |
|
9 |
121 |
22 |
19802 |
◊ |
0 |
x,y,z |
1_555 |
137 |
35 |
363663 |
1013.9 |
-23.1 |
0.968 |
11 |
0 |
0 |
0.040 |
28 |
|
0 |
119 |
21 |
363663 |
◊ |
V |
x,y,z |
1_555 |
109 |
26 |
4557 |
990.0 |
-13.5 |
0.768 |
21 |
0 |
0 |
0.030 |
29 |
|
0 |
124 |
26 |
363663 |
◊ |
S |
x,y,z |
1_555 |
95 |
31 |
5114 |
985.2 |
-17.0 |
0.739 |
21 |
0 |
0 |
0.037 |
30 |
|
0 |
113 |
18 |
363663 |
◊ |
I |
x,y,z |
1_555 |
106 |
30 |
4521 |
980.9 |
-18.5 |
0.570 |
13 |
0 |
0 |
0.034 |
31 |
|
0 |
91 |
15 |
363663 |
◊ |
U |
x,y,z |
1_555 |
70 |
19 |
3909 |
706.2 |
-9.2 |
0.819 |
7 |
0 |
0 |
0.014 |
32 |
|
M |
69 |
21 |
12404 |
◊ |
F |
x,y,z |
1_555 |
74 |
18 |
6077 |
681.7 |
-8.8 |
0.048 |
8 |
4 |
0 |
0.015 |
33 |
|
0 |
71 |
11 |
363663 |
◊ |
F |
x,y,z |
1_555 |
57 |
20 |
6077 |
627.5 |
-12.7 |
0.558 |
15 |
0 |
0 |
0.026 |
34 |
|
9 |
69 |
10 |
19802 |
◊ |
W |
x,y,z |
1_555 |
49 |
16 |
8093 |
545.9 |
-7.5 |
0.664 |
7 |
0 |
0 |
0.013 |
35 |
|
U |
51 |
15 |
3909 |
◊ |
K |
x,y,z |
1_555 |
53 |
17 |
7186 |
498.6 |
-8.1 |
0.048 |
7 |
1 |
0 |
0.012 |
36 |
|
6 |
42 |
3 |
944 |
◊ |
0 |
x,y,z |
1_555 |
71 |
14 |
363663 |
490.3 |
-7.7 |
0.622 |
7 |
0 |
0 |
0.012 |
37 |
|
Q |
50 |
13 |
6629 |
◊ |
N |
x,y,z |
1_555 |
60 |
16 |
10800 |
484.9 |
-8.4 |
0.051 |
2 |
0 |
0 |
0.000 |
38 |
|
0 |
50 |
9 |
363663 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
2722 |
484.7 |
-5.9 |
0.765 |
11 |
0 |
0 |
0.012 |
39 |
|
K |
36 |
13 |
7186 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
36 |
13 |
7186 |
380.9 |
-0.3 |
0.426 |
2 |
2 |
0 |
0.000 |
40 |
|
V |
34 |
10 |
4557 |
◊ |
S |
x,y,z |
1_555 |
38 |
11 |
5114 |
333.8 |
-3.3 |
0.254 |
0 |
1 |
0 |
0.005 |
41 |
|
[1MA]0:628 |
23 |
1 |
502 |
cf |
0 |
x,y,z |
1_555 |
50 |
10 |
363663 |
328.4 |
-2.1 |
0.771 |
5 |
0 |
0 |
0.006 |
42 |
|
[OMG]0:2588 |
24 |
1 |
499 |
cf |
0 |
x,y,z |
1_555 |
46 |
8 |
363663 |
286.9 |
-2.0 |
0.806 |
1 |
0 |
0 |
0.003 |
43 |
|
[OMU]0:2587 |
21 |
1 |
459 |
cf |
0 |
x,y,z |
1_555 |
48 |
11 |
363663 |
279.1 |
-0.9 |
0.847 |
1 |
0 |
0 |
0.002 |
44 |
|
[8AN]6:76 |
21 |
1 |
474 |
◊ |
0 |
x,y,z |
1_555 |
38 |
9 |
363663 |
278.4 |
-1.0 |
0.570 |
6 |
0 |
0 |
0.004 |
45 |
|
2 |
32 |
7 |
5060 |
◊ |
S |
x,y,z |
1_555 |
32 |
9 |
5114 |
272.3 |
-2.5 |
0.253 |
2 |
1 |
0 |
0.005 |
46 |
|
K |
25 |
9 |
7186 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
18226 |
270.1 |
-1.6 |
0.315 |
2 |
0 |
0 |
0.000 |
47 |
|
J |
27 |
6 |
8451 |
◊ |
E |
x,y,z |
1_555 |
27 |
7 |
10119 |
267.5 |
-3.5 |
0.117 |
3 |
0 |
0 |
0.007 |
48 |
|
[UR3]0:2619 |
21 |
1 |
453 |
cf |
0 |
x,y,z |
1_555 |
39 |
6 |
363663 |
262.6 |
-0.6 |
0.863 |
0 |
0 |
0 |
0.000 |
49 |
|
9 |
33 |
8 |
19802 |
◊ |
Q |
x,y,z |
1_555 |
27 |
6 |
6629 |
256.1 |
-2.3 |
0.779 |
4 |
0 |
0 |
0.000 |
50 |
|
[PSU]0:2621 |
19 |
1 |
426 |
cf |
0 |
x,y,z |
1_555 |
40 |
7 |
363663 |
250.6 |
-2.4 |
0.708 |
3 |
0 |
0 |
0.005 |
51 |
|
5 |
27 |
2 |
608 |
◊ |
0 |
x,y,z |
1_555 |
43 |
13 |
363663 |
242.8 |
-3.1 |
0.787 |
4 |
0 |
0 |
0.000 |
52 |
|
J |
28 |
9 |
8451 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
18226 |
238.6 |
1.4 |
0.619 |
6 |
1 |
0 |
0.000 |
53 |
|
N |
28 |
8 |
10800 |
◊ |
D |
x,y,z |
1_555 |
21 |
5 |
9637 |
220.4 |
1.3 |
0.670 |
3 |
0 |
0 |
0.000 |
54 |
|
[8AN]6:76 |
21 |
1 |
474 |
cf |
6 |
x,y,z |
1_555 |
21 |
2 |
944 |
173.8 |
0.8 |
0.601 |
0 |
0 |
0 |
0.000 |
55 |
|
0 |
25 |
6 |
363663 |
◊ |
V |
x,-y+1,-z |
4_565 |
18 |
7 |
4557 |
173.4 |
-3.6 |
0.435 |
1 |
0 |
0 |
0.000 |
56 |
|
O |
16 |
4 |
6451 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
14351 |
172.3 |
-1.7 |
0.216 |
0 |
0 |
0 |
0.000 |
57 |
|
9 |
26 |
3 |
19802 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
2 |
363663 |
168.9 |
-0.4 |
0.921 |
0 |
0 |
0 |
0.000 |
58 |
|
2 |
20 |
5 |
5060 |
◊ |
1 |
x,y,z |
1_555 |
18 |
6 |
4863 |
168.9 |
-2.2 |
0.254 |
0 |
0 |
0 |
0.002 |
59 |
|
U |
15 |
4 |
3909 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
18226 |
167.9 |
-1.5 |
0.315 |
3 |
0 |
0 |
0.000 |
60 |
|
1 |
16 |
4 |
4863 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
14351 |
160.1 |
-0.9 |
0.418 |
2 |
3 |
0 |
0.002 |
61 |
|
0 |
17 |
2 |
363663 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
19 |
4 |
363663 |
150.5 |
-5.8 |
0.524 |
1 |
0 |
0 |
0.000 |
62 |
|
3 |
13 |
4 |
7671 |
◊ |
M |
x,y,z |
1_555 |
18 |
6 |
12404 |
145.9 |
-2.5 |
0.150 |
1 |
0 |
0 |
0.002 |
63 |
|
0 |
23 |
7 |
363663 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
20 |
7 |
10119 |
139.5 |
-0.7 |
0.802 |
0 |
0 |
0 |
0.000 |
64 |
|
[K]0:8402 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
27 |
12 |
363663 |
137.7 |
-88.6 |
0.000 |
0 |
0 |
0 |
0.125 |
65 |
|
9 |
16 |
4 |
19802 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
9369 |
135.3 |
0.3 |
0.744 |
2 |
0 |
0 |
0.000 |
66 |
|
O |
18 |
7 |
6451 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
11292 |
132.8 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
67 |
|
[ACA]6:78 |
8 |
1 |
285 |
◊ |
0 |
x,y,z |
1_555 |
25 |
7 |
363663 |
129.5 |
5.1 |
0.004 |
1 |
0 |
0 |
0.000 |
68 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
21 |
8 |
363663 |
125.8 |
-101.3 |
0.000 |
0 |
0 |
0 |
0.143 |
69 |
|
0 |
22 |
3 |
363663 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
22 |
3 |
363663 |
118.2 |
0.3 |
0.936 |
2 |
0 |
0 |
0.000 |
70 |
|
N |
15 |
8 |
10800 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
363663 |
109.1 |
-2.5 |
0.422 |
0 |
0 |
0 |
0.000 |
71 |
|
[CL]0:8805 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
25 |
9 |
363663 |
90.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.016 |
72 |
|
T |
16 |
5 |
8095 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
14351 |
90.5 |
-1.0 |
0.311 |
0 |
0 |
0 |
0.000 |
73 |
|
[OMG]0:2588 |
14 |
1 |
499 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
12 |
1 |
459 |
90.5 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
74 |
|
[CL]R:8806 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
9 |
4 |
8384 |
73.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.100 |
75 |
|
[CL]3:8804 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
17 |
9 |
7671 |
72.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.100 |
76 |
|
[CL]M:8818 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
9 |
7 |
12404 |
67.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
77 |
|
[CD]O:8705 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
17 |
7 |
6451 |
67.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.049 |
78 |
|
[CL]0:8815 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
363663 |
67.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.014 |
79 |
|
[ACA]6:78 |
7 |
1 |
285 |
cf |
6 |
x,y,z |
1_555 |
7 |
1 |
944 |
67.2 |
2.0 |
0.823 |
0 |
0 |
0 |
0.000 |
80 |
|
[CL]0:8813 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
363663 |
65.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.013 |
81 |
|
[1MA]0:628 |
8 |
1 |
502 |
◊ |
Y |
x,y,z |
1_555 |
8 |
3 |
10374 |
64.9 |
-2.2 |
0.241 |
0 |
0 |
0 |
0.002 |
82 |
|
W |
8 |
2 |
8093 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
363663 |
64.6 |
-1.0 |
0.288 |
0 |
0 |
0 |
0.000 |
83 |
|
[CL]J:8801 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
8451 |
63.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.033 |
84 |
|
[CL]J:8802 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8451 |
63.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.037 |
85 |
|
[CL]0:8822 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
3 |
363663 |
62.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.013 |
86 |
|
[CL]N:8807 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
12 |
4 |
10800 |
60.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.119 |
87 |
|
[OMG]0:2588 |
5 |
1 |
499 |
◊ |
5 |
x,y,z |
1_555 |
6 |
2 |
608 |
60.4 |
1.7 |
0.685 |
1 |
0 |
0 |
0.000 |
88 |
|
[CL]L:8814 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11292 |
59.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.049 |
89 |
|
[CL]O:8808 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
11 |
4 |
6451 |
58.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.051 |
90 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
4 |
363663 |
58.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.008 |
91 |
|
[CL]L:8810 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11292 |
58.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.051 |
92 |
|
Y |
7 |
1 |
10374 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
11292 |
58.4 |
1.0 |
0.683 |
1 |
0 |
0 |
0.000 |
93 |
|
[CL]0:8803 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
363663 |
58.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.011 |
94 |
|
[CL]A:8809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14126 |
58.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
95 |
|
[CL]J:8821 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
6 |
8451 |
57.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.030 |
96 |
|
[CL]Q:8811 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
10 |
5 |
6629 |
56.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.100 |
97 |
|
[CL]B:8819 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
18226 |
55.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.100 |
98 |
|
[CL]Y:8817 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
4 |
10374 |
55.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.006 |
99 |
|
[CL]J:8816 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
8451 |
53.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.008 |
100 |
|
9 |
8 |
3 |
19802 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
18226 |
52.3 |
1.4 |
0.871 |
2 |
0 |
0 |
0.000 |
101 |
|
[CL]J:8816 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
363663 |
51.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.009 |
102 |
|
[CL]0:8812 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
6 |
7186 |
50.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.100 |
103 |
|
[CL]Y:8817 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
363663 |
49.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.010 |
104 |
|
0 |
6 |
2 |
363663 |
◊ |
F |
x,-y+1,-z |
4_565 |
6 |
1 |
6077 |
48.3 |
-1.7 |
0.421 |
0 |
0 |
0 |
0.000 |
105 |
|
[CL]0:8812 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
4 |
363663 |
48.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
106 |
|
[CL]Y:8820 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
7 |
3 |
10374 |
45.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.005 |
107 |
|
[K]0:8402 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
5 |
1 |
12404 |
44.2 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.027 |
108 |
|
[CL]B:8819 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
4 |
363663 |
43.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.003 |
109 |
|
[CL]O:8808 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
8 |
2 |
363663 |
42.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.007 |
110 |
|
[CL]L:8814 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
363663 |
41.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.005 |
111 |
|
D |
7 |
1 |
9637 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
18226 |
39.2 |
-0.5 |
0.463 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]L:8810 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
7 |
2 |
363663 |
38.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.004 |
113 |
|
[CL]Q:8811 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
363663 |
38.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.006 |
114 |
|
[CL]J:8821 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
363663 |
33.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.006 |
115 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
9637 |
29.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.030 |
116 |
|
[CL]0:8803 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5060 |
26.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
117 |
|
3 |
3 |
1 |
7671 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11292 |
26.2 |
0.5 |
0.497 |
0 |
0 |
0 |
0.000 |
118 |
|
G |
4 |
1 |
2722 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
363663 |
25.3 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
119 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10119 |
24.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.004 |
120 |
|
[CL]A:8809 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
363663 |
24.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.005 |
121 |
|
[PSU]0:2621 |
5 |
1 |
426 |
◊ |
6 |
x,y,z |
1_555 |
3 |
1 |
944 |
20.4 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
122 |
|
M |
2 |
1 |
12404 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14126 |
17.1 |
0.7 |
0.796 |
0 |
0 |
0 |
0.000 |
123 |
|
[ACA]6:78 |
2 |
1 |
285 |
f |
[8AN]6:76 |
x,y,z |
1_555 |
2 |
1 |
474 |
16.5 |
0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
124 |
|
[CL]R:8806 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
363663 |
15.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.002 |
125 |
|
[CL]0:8813 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10374 |
10.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
[CL]0:8813 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.002 |
127 |
|
[CL]0:8822 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8093 |
5.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
128 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19802 |
5.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
129 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
363663 |
5.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
130 |
|
N |
1 |
1 |
10800 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
10614 |
4.7 |
-0.2 |
0.341 |
0 |
0 |
0 |
0.000 |
131 |
|
[8AN]6:76 |
1 |
1 |
474 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
1 |
1 |
453 |
3.0 |
-0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
132 |
|
[CL]J:8802 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
363663 |
1.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
133 |
|
[UR3]0:2619 |
1 |
1 |
453 |
◊ |
5 |
x,y,z |
1_555 |
1 |
1 |
608 |
0.1 |
0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
|