## |
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 |
|
A |
387 |
79 |
208164 |
◊ |
L |
x,y,z |
1_555 |
314 |
78 |
9305 |
3272.3 |
-60.7 |
0.825 |
71 |
0 |
0 |
0.029 |
2 |
|
A |
358 |
61 |
208164 |
◊ |
D |
x,y,z |
1_555 |
300 |
81 |
11975 |
2980.1 |
-54.5 |
0.736 |
84 |
0 |
0 |
0.029 |
3 |
|
A |
348 |
65 |
208164 |
◊ |
I |
x,y,z |
1_555 |
269 |
59 |
8269 |
2925.4 |
-57.2 |
0.723 |
61 |
0 |
0 |
0.026 |
4 |
|
A |
326 |
58 |
208164 |
◊ |
Q |
x,y,z |
1_555 |
259 |
58 |
7926 |
2747.8 |
-40.5 |
0.810 |
54 |
0 |
0 |
0.020 |
5 |
|
A |
296 |
62 |
208164 |
◊ |
T |
x,y,z |
1_555 |
245 |
59 |
6957 |
2520.6 |
-52.0 |
0.615 |
49 |
0 |
0 |
0.023 |
6 |
|
A |
287 |
52 |
208164 |
◊ |
P |
x,y,z |
1_555 |
243 |
55 |
5409 |
2445.1 |
-37.2 |
0.794 |
44 |
0 |
0 |
0.018 |
7 |
|
A |
265 |
43 |
208164 |
◊ |
M |
x,y,z |
1_555 |
226 |
54 |
9273 |
2280.3 |
-48.8 |
0.585 |
53 |
0 |
0 |
0.023 |
8 |
|
A |
239 |
41 |
208164 |
◊ |
E |
x,y,z |
1_555 |
192 |
57 |
8465 |
2005.0 |
-33.8 |
0.714 |
47 |
0 |
0 |
0.017 |
9 |
|
A |
243 |
44 |
208164 |
◊ |
G |
x,y,z |
1_555 |
186 |
46 |
10136 |
1916.3 |
-19.8 |
0.937 |
40 |
0 |
0 |
0.012 |
10 |
|
A |
255 |
48 |
208164 |
◊ |
N |
x,y,z |
1_555 |
167 |
36 |
5688 |
1873.2 |
-31.9 |
0.825 |
41 |
0 |
0 |
0.016 |
11 |
|
A |
233 |
43 |
208164 |
◊ |
H |
x,y,z |
1_555 |
182 |
51 |
8293 |
1841.9 |
-28.4 |
0.359 |
36 |
0 |
0 |
0.014 |
12 |
|
A |
211 |
40 |
208164 |
◊ |
O |
x,y,z |
1_555 |
180 |
42 |
6442 |
1809.4 |
-35.2 |
0.612 |
37 |
0 |
0 |
0.016 |
13 |
|
A |
217 |
42 |
208164 |
◊ |
K |
x,y,z |
1_555 |
165 |
41 |
7564 |
1804.0 |
-31.1 |
0.699 |
35 |
0 |
0 |
0.015 |
14 |
|
A |
240 |
44 |
208164 |
◊ |
J |
x,y,z |
1_555 |
167 |
44 |
7286 |
1783.9 |
-30.2 |
0.756 |
28 |
0 |
0 |
0.014 |
15 |
|
A |
209 |
38 |
208164 |
◊ |
C |
x,y,z |
1_555 |
167 |
43 |
11837 |
1749.7 |
-30.9 |
0.655 |
27 |
0 |
0 |
0.014 |
16 |
|
A |
202 |
39 |
208164 |
◊ |
S |
x,y,z |
1_555 |
163 |
28 |
5997 |
1608.8 |
-21.0 |
0.901 |
28 |
0 |
0 |
0.011 |
17 |
|
A |
148 |
32 |
208164 |
◊ |
U |
x,y,z |
1_555 |
124 |
23 |
2393 |
1290.2 |
-26.5 |
0.445 |
30 |
0 |
0 |
0.013 |
18 |
|
A |
168 |
29 |
208164 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
178 |
32 |
208164 |
1249.0 |
-23.5 |
0.979 |
13 |
0 |
0 |
0.000 |
19 |
|
R |
115 |
27 |
5574 |
◊ |
F |
x,y,z |
1_555 |
105 |
25 |
6861 |
1042.7 |
-6.7 |
0.146 |
17 |
3 |
0 |
0.141 |
20 |
|
A |
124 |
28 |
208164 |
◊ |
B |
x,y,z |
1_555 |
96 |
31 |
12372 |
959.7 |
-16.9 |
0.729 |
14 |
0 |
0 |
0.008 |
21 |
|
A |
112 |
21 |
208164 |
◊ |
R |
x,y,z |
1_555 |
81 |
20 |
5574 |
934.6 |
-21.3 |
0.489 |
20 |
0 |
0 |
0.010 |
22 |
|
N |
83 |
19 |
5688 |
◊ |
C |
x,y,z |
1_555 |
100 |
25 |
11837 |
800.8 |
-10.0 |
0.099 |
5 |
0 |
0 |
0.004 |
23 |
|
N |
85 |
18 |
5688 |
◊ |
J |
x,y,z |
1_555 |
91 |
18 |
7286 |
789.7 |
-6.8 |
0.325 |
9 |
3 |
0 |
0.004 |
24 |
|
H |
56 |
18 |
8293 |
◊ |
E |
x,y,z |
1_555 |
60 |
17 |
8465 |
569.3 |
-1.1 |
0.442 |
4 |
3 |
0 |
0.001 |
25 |
|
A |
63 |
13 |
208164 |
◊ |
F |
x,y,z |
1_555 |
64 |
18 |
6861 |
546.9 |
-6.8 |
0.769 |
14 |
0 |
0 |
0.004 |
26 |
|
[PAR]Z:1 |
35 |
1 |
745 |
f |
A |
x,y,z |
1_555 |
62 |
14 |
208164 |
457.1 |
-18.7 |
0.675 |
9 |
0 |
0 |
0.007 |
27 |
|
X |
49 |
5 |
1321 |
◊ |
A |
x,y,z |
1_555 |
50 |
9 |
208164 |
425.4 |
-2.6 |
0.882 |
3 |
0 |
0 |
0.000 |
28 |
|
A |
52 |
12 |
208164 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
3_545 |
40 |
15 |
9273 |
409.9 |
-8.5 |
0.594 |
4 |
0 |
0 |
0.000 |
29 |
|
S |
48 |
12 |
5997 |
◊ |
M |
x,y,z |
1_555 |
41 |
12 |
9273 |
392.4 |
-1.7 |
0.543 |
1 |
0 |
0 |
0.000 |
30 |
|
E |
52 |
18 |
8465 |
◊ |
E |
y,x,-z |
7_555 |
53 |
18 |
8465 |
375.9 |
4.9 |
0.827 |
6 |
0 |
0 |
0.000 |
31 |
|
J |
37 |
14 |
7286 |
◊ |
C |
x,y,z |
1_555 |
42 |
12 |
11837 |
363.3 |
-4.3 |
0.238 |
1 |
0 |
0 |
0.002 |
32 |
|
B |
35 |
11 |
12372 |
◊ |
B |
y,x,-z |
7_555 |
35 |
11 |
12372 |
329.2 |
1.9 |
0.780 |
2 |
0 |
0 |
0.000 |
33 |
|
H |
34 |
13 |
8293 |
◊ |
D |
y,x,-z |
7_555 |
32 |
12 |
11975 |
321.1 |
6.4 |
0.858 |
4 |
6 |
0 |
0.000 |
34 |
|
R |
34 |
8 |
5574 |
◊ |
K |
x,y,z |
1_555 |
40 |
14 |
7564 |
316.7 |
-2.4 |
0.410 |
4 |
2 |
0 |
0.001 |
35 |
|
E |
31 |
13 |
8465 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
11975 |
267.5 |
1.5 |
0.624 |
1 |
4 |
0 |
0.000 |
36 |
|
[6MZ]Y:37 |
22 |
1 |
490 |
cf |
Y |
x,y,z |
1_555 |
38 |
4 |
2454 |
263.0 |
5.3 |
0.796 |
0 |
0 |
0 |
0.000 |
37 |
|
H |
27 |
8 |
8293 |
◊ |
B |
x,y,z |
1_555 |
37 |
9 |
12372 |
251.5 |
-0.9 |
0.491 |
4 |
2 |
0 |
0.000 |
38 |
|
K |
28 |
8 |
7564 |
◊ |
G |
x,y,z |
1_555 |
29 |
8 |
10136 |
231.7 |
-2.0 |
0.358 |
0 |
0 |
0 |
0.000 |
39 |
|
I |
23 |
7 |
8269 |
◊ |
G |
x,y,z |
1_555 |
24 |
8 |
10136 |
212.3 |
-2.7 |
0.221 |
1 |
0 |
0 |
0.000 |
40 |
|
Q |
21 |
5 |
7926 |
◊ |
L |
x,y,z |
1_555 |
23 |
7 |
9305 |
208.9 |
-3.2 |
0.215 |
1 |
0 |
0 |
0.001 |
41 |
|
K |
22 |
7 |
7564 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
3 |
208164 |
186.2 |
-1.3 |
0.742 |
2 |
0 |
0 |
0.000 |
42 |
|
J |
15 |
4 |
7286 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
15 |
4 |
7286 |
178.4 |
1.5 |
0.772 |
4 |
0 |
0 |
0.000 |
43 |
|
[CM0]Y:34 |
18 |
1 |
500 |
cf |
Y |
x,y,z |
1_555 |
25 |
3 |
2454 |
173.1 |
0.7 |
0.627 |
2 |
0 |
0 |
0.000 |
44 |
|
Y |
20 |
2 |
2454 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
208164 |
166.9 |
-2.9 |
0.710 |
2 |
0 |
0 |
0.000 |
45 |
|
J |
23 |
7 |
7286 |
◊ |
I |
x,y,z |
1_555 |
16 |
4 |
8269 |
151.5 |
-0.6 |
0.396 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
18 |
4 |
208164 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
12 |
3 |
8269 |
150.2 |
-2.1 |
0.614 |
6 |
0 |
0 |
0.000 |
47 |
|
[K]Z:2172 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
208164 |
144.4 |
-98.2 |
0.000 |
0 |
0 |
0 |
0.032 |
48 |
|
Q |
19 |
6 |
7926 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8293 |
144.1 |
-0.8 |
0.470 |
0 |
0 |
0 |
0.000 |
49 |
|
[K]Z:2177 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
208164 |
137.7 |
-91.0 |
0.000 |
0 |
0 |
0 |
0.030 |
50 |
|
[K]Z:2196 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
208164 |
136.3 |
-94.0 |
0.000 |
0 |
0 |
0 |
0.031 |
51 |
|
[K]Z:2174 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
208164 |
135.4 |
-97.8 |
0.000 |
0 |
0 |
0 |
0.032 |
52 |
|
[K]Z:2199 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
208164 |
131.2 |
-78.5 |
0.000 |
0 |
0 |
0 |
0.026 |
53 |
|
[K]Z:2170 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
208164 |
127.4 |
-77.0 |
0.000 |
0 |
0 |
0 |
0.025 |
54 |
|
[K]Z:2194 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
208164 |
126.6 |
-87.8 |
0.000 |
0 |
0 |
0 |
0.029 |
55 |
|
Y |
17 |
2 |
2454 |
◊ |
X |
x,y,z |
1_555 |
16 |
3 |
1321 |
125.7 |
-0.4 |
0.728 |
6 |
0 |
0 |
0.000 |
56 |
|
[K]Z:2171 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
208164 |
125.4 |
-82.5 |
0.000 |
0 |
0 |
0 |
0.027 |
57 |
|
[K]Z:2185 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
18 |
6 |
8465 |
123.8 |
-91.8 |
0.000 |
0 |
0 |
0 |
0.071 |
58 |
|
[K]Z:2192 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
208164 |
123.3 |
-85.8 |
0.000 |
0 |
0 |
0 |
0.028 |
59 |
|
[K]Z:2183 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
208164 |
118.8 |
-62.5 |
0.000 |
0 |
0 |
0 |
0.020 |
60 |
|
[K]Z:2167 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
208164 |
118.3 |
-74.8 |
0.000 |
0 |
0 |
0 |
0.024 |
61 |
|
[K]Z:2178 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
208164 |
117.8 |
-84.8 |
0.000 |
0 |
0 |
0 |
0.028 |
62 |
|
[K]Z:2197 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
208164 |
117.6 |
-68.5 |
0.000 |
0 |
0 |
0 |
0.022 |
63 |
|
[K]Z:2176 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
208164 |
117.1 |
-72.8 |
0.000 |
0 |
0 |
0 |
0.024 |
64 |
|
[K]Z:2180 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
208164 |
116.0 |
-76.2 |
0.000 |
0 |
0 |
0 |
0.025 |
65 |
|
[K]Z:2190 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
208164 |
115.2 |
-75.5 |
0.000 |
0 |
0 |
0 |
0.025 |
66 |
|
[K]Z:2168 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
208164 |
114.5 |
-74.2 |
0.000 |
0 |
0 |
0 |
0.024 |
67 |
|
[K]Z:2184 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
208164 |
111.9 |
-72.4 |
0.000 |
0 |
0 |
0 |
0.024 |
68 |
|
[K]Z:2186 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
208164 |
109.4 |
-72.0 |
0.000 |
0 |
0 |
0 |
0.023 |
69 |
|
[CM0]Y:34 |
16 |
1 |
500 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
208164 |
108.2 |
-0.8 |
0.594 |
0 |
0 |
0 |
0.000 |
70 |
|
[K]Z:2175 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
208164 |
106.9 |
-69.2 |
0.000 |
0 |
0 |
0 |
0.023 |
71 |
|
[K]Z:2169 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
208164 |
106.2 |
-69.5 |
0.000 |
0 |
0 |
0 |
0.023 |
72 |
|
[K]Z:2179 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
208164 |
106.1 |
-68.2 |
0.000 |
0 |
0 |
0 |
0.022 |
73 |
|
[K]Z:2188 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
208164 |
104.4 |
-70.7 |
0.000 |
0 |
0 |
0 |
0.023 |
74 |
|
[K]Z:2165 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
208164 |
103.9 |
-70.1 |
0.000 |
0 |
0 |
0 |
0.023 |
75 |
|
[K]Z:2182 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
208164 |
102.3 |
-71.2 |
0.000 |
0 |
0 |
0 |
0.023 |
76 |
|
[K]Z:2173 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
208164 |
100.5 |
-58.6 |
0.000 |
0 |
0 |
0 |
0.019 |
77 |
|
[K]Z:2189 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
208164 |
100.2 |
-59.2 |
0.000 |
0 |
0 |
0 |
0.019 |
78 |
|
[K]Z:2198 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
208164 |
99.3 |
-63.3 |
0.000 |
0 |
0 |
0 |
0.021 |
79 |
|
[K]Z:2164 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
208164 |
97.8 |
-67.2 |
0.000 |
0 |
0 |
0 |
0.022 |
80 |
|
A |
12 |
2 |
208164 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
12 |
4 |
10136 |
97.8 |
-0.5 |
0.665 |
0 |
0 |
0 |
0.000 |
81 |
|
[K]Z:2191 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
208164 |
91.9 |
-53.5 |
0.000 |
0 |
0 |
0 |
0.017 |
82 |
|
[K]Z:2166 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
208164 |
88.7 |
-56.4 |
0.000 |
0 |
0 |
0 |
0.018 |
83 |
|
[CM0]Y:34 |
9 |
1 |
500 |
◊ |
X |
x,y,z |
1_555 |
9 |
3 |
1321 |
84.5 |
0.8 |
0.624 |
3 |
0 |
0 |
0.000 |
84 |
|
[K]Z:2187 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
15 |
2 |
10136 |
83.0 |
-49.0 |
0.000 |
0 |
0 |
0 |
0.100 |
85 |
|
[K]Z:2195 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
6861 |
82.0 |
-50.7 |
0.000 |
0 |
0 |
0 |
0.483 |
86 |
|
[K]Z:2181 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
208164 |
80.5 |
-51.5 |
0.000 |
0 |
0 |
0 |
0.017 |
87 |
|
E |
10 |
4 |
8465 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
11837 |
80.1 |
0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
88 |
|
X |
13 |
3 |
1321 |
◊ |
L |
x,y,z |
1_555 |
9 |
2 |
9305 |
78.5 |
-2.5 |
0.461 |
1 |
0 |
0 |
0.000 |
89 |
|
[K]Z:2187 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
208164 |
78.2 |
-46.5 |
0.000 |
0 |
0 |
0 |
0.015 |
90 |
|
[6MZ]Y:37 |
14 |
1 |
490 |
◊ |
X |
x,y,z |
1_555 |
12 |
1 |
1321 |
76.9 |
2.5 |
0.686 |
0 |
0 |
0 |
0.000 |
91 |
|
[6MZ]Y:37 |
8 |
1 |
490 |
◊ |
A |
x,y,z |
1_555 |
12 |
1 |
208164 |
76.5 |
1.3 |
0.636 |
0 |
0 |
0 |
0.000 |
92 |
|
[K]Z:2195 |
1 |
1 |
216 |
◊ |
R |
x,y,z |
1_555 |
9 |
5 |
5574 |
70.8 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.376 |
93 |
|
[K]Z:2197 |
1 |
1 |
216 |
f |
[PAR]Z:1 |
x,y,z |
1_555 |
7 |
1 |
745 |
67.9 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.013 |
94 |
|
N |
13 |
2 |
5688 |
◊ |
I |
x,y,z |
1_555 |
6 |
1 |
8269 |
67.8 |
0.6 |
0.680 |
1 |
1 |
0 |
0.000 |
95 |
|
[K]Z:2193 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
12 |
3 |
8465 |
66.5 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.029 |
96 |
|
[K]Z:2199 |
1 |
1 |
216 |
f |
[K]Z:2180 |
x,y,z |
1_555 |
1 |
1 |
216 |
65.1 |
-65.1 |
0.000 |
0 |
0 |
0 |
0.021 |
97 |
|
[K]Z:2183 |
1 |
1 |
216 |
◊ |
U |
x,y,z |
1_555 |
5 |
3 |
2393 |
63.5 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.011 |
98 |
|
[K]Z:2193 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
208164 |
62.7 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.011 |
99 |
|
A |
7 |
2 |
208164 |
◊ |
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6_454 |
6 |
3 |
9273 |
60.4 |
-1.9 |
0.390 |
0 |
0 |
0 |
0.000 |
100 |
|
L |
4 |
1 |
9305 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
8293 |
56.8 |
-1.0 |
0.226 |
0 |
0 |
0 |
0.000 |
101 |
|
[K]Z:2191 |
1 |
1 |
216 |
f |
[K]Z:2164 |
x,y,z |
1_555 |
1 |
1 |
216 |
55.0 |
-55.0 |
0.000 |
0 |
0 |
0 |
0.018 |
102 |
|
[K]Z:2191 |
1 |
1 |
216 |
f |
[K]Z:2169 |
x,y,z |
1_555 |
1 |
1 |
216 |
48.5 |
-48.5 |
0.000 |
0 |
0 |
0 |
0.016 |
103 |
|
A |
9 |
2 |
208164 |
◊ |
[K]Z:2181 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
216 |
47.3 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.000 |
104 |
|
M |
5 |
1 |
9273 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8269 |
46.1 |
-0.1 |
0.534 |
0 |
1 |
0 |
0.000 |
105 |
|
U |
4 |
3 |
2393 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
9273 |
45.0 |
0.2 |
0.485 |
0 |
0 |
0 |
0.000 |
106 |
|
[K]Z:2169 |
1 |
1 |
216 |
f |
[K]Z:2164 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.6 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.011 |
107 |
|
[K]Z:2198 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
6 |
2 |
5409 |
31.1 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.005 |
108 |
|
[K]Z:2190 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11837 |
28.8 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.004 |
109 |
|
C |
3 |
2 |
11837 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12372 |
28.4 |
0.2 |
0.485 |
0 |
0 |
0 |
0.000 |
110 |
|
O |
2 |
1 |
6442 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
6861 |
21.9 |
0.2 |
0.443 |
0 |
0 |
0 |
0.000 |
111 |
|
[K]Z:2178 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
5409 |
16.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.003 |
112 |
|
[ZN]Z:1122 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
208164 |
15.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.002 |
113 |
|
X |
1 |
1 |
1321 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11837 |
14.8 |
-0.6 |
0.393 |
0 |
0 |
0 |
0.000 |
114 |
|
Y |
4 |
2 |
2454 |
◊ |
M |
x,y,z |
1_555 |
2 |
2 |
9273 |
13.8 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
115 |
|
[K]Z:2179 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
9305 |
11.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.002 |
116 |
|
C |
2 |
1 |
11837 |
◊ |
B |
y,x,-z |
7_555 |
4 |
3 |
12372 |
9.9 |
0.2 |
0.719 |
0 |
0 |
0 |
0.000 |
117 |
|
[K]Z:2172 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
8269 |
8.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.001 |
118 |
|
[K]Z:2182 |
1 |
1 |
216 |
f |
[K]Z:2165 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.003 |
119 |
|
[K]Z:2173 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
8465 |
7.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.001 |
120 |
|
A |
1 |
1 |
208164 |
◊ |
K |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
7564 |
6.7 |
-0.1 |
0.441 |
0 |
0 |
0 |
0.000 |
121 |
|
[K]Z:2174 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
9305 |
5.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
122 |
|
D |
2 |
1 |
11975 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11837 |
3.8 |
0.2 |
0.769 |
0 |
0 |
0 |
0.000 |
123 |
|
S |
2 |
1 |
5997 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
5688 |
2.9 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
124 |
|
Q |
1 |
1 |
7926 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
6442 |
2.8 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
125 |
|
[K]Z:2181 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
7564 |
2.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
G |
1 |
1 |
10136 |
◊ |
G |
-y+1,-x+1,-z-1/2 |
8_664 |
1 |
1 |
10136 |
2.3 |
-0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
127 |
|
E |
1 |
1 |
8465 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
12372 |
0.7 |
0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
|