| ## |
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 |
829 |
140 |
364118 |
◊ |
B |
x,y,z |
1_555 |
750 |
166 |
18540 |
7262.0 |
-138.1 |
0.563 |
166 |
0 |
0 |
0.129 |
2 |
|
0 |
765 |
136 |
364118 |
◊ |
M |
x,y,z |
1_555 |
619 |
137 |
12411 |
6362.3 |
-122.7 |
0.573 |
136 |
0 |
0 |
0.194 |
3 |
|
0 |
737 |
119 |
364118 |
◊ |
A |
x,y,z |
1_555 |
610 |
131 |
14411 |
6228.7 |
-117.3 |
0.572 |
126 |
0 |
0 |
0.224 |
4 |
|
0 |
653 |
112 |
364118 |
◊ |
C |
x,y,z |
1_555 |
529 |
129 |
14500 |
5479.5 |
-88.6 |
0.708 |
113 |
0 |
0 |
0.105 |
5 |
|
0 |
497 |
97 |
364118 |
◊ |
P |
x,y,z |
1_555 |
401 |
94 |
10848 |
4295.4 |
-80.9 |
0.647 |
105 |
0 |
0 |
0.108 |
6 |
|
0 |
496 |
99 |
364118 |
◊ |
Y |
x,y,z |
1_555 |
390 |
87 |
10613 |
4107.9 |
-74.7 |
0.731 |
92 |
0 |
0 |
0.101 |
7 |
|
0 |
525 |
110 |
364118 |
◊ |
L |
x,y,z |
1_555 |
377 |
82 |
11517 |
4090.8 |
-68.9 |
0.605 |
95 |
0 |
0 |
0.103 |
8 |
|
0 |
385 |
69 |
364118 |
◊ |
R |
x,y,z |
1_555 |
333 |
82 |
8502 |
3141.4 |
-54.4 |
0.585 |
73 |
0 |
0 |
0.089 |
9 |
|
0 |
365 |
58 |
364118 |
◊ |
3 |
x,y,z |
1_555 |
320 |
70 |
7877 |
3088.1 |
-64.8 |
0.220 |
55 |
0 |
0 |
0.089 |
10 |
|
0 |
380 |
77 |
364118 |
◊ |
1 |
x,y,z |
1_555 |
270 |
54 |
4907 |
2874.3 |
-57.1 |
0.654 |
55 |
0 |
0 |
0.093 |
11 |
|
0 |
348 |
60 |
364118 |
◊ |
T |
x,y,z |
1_555 |
270 |
68 |
8162 |
2815.7 |
-40.9 |
0.829 |
57 |
0 |
0 |
0.080 |
12 |
|
0 |
324 |
57 |
364118 |
◊ |
H |
x,y,z |
1_555 |
277 |
62 |
9479 |
2695.9 |
-48.8 |
0.500 |
50 |
0 |
0 |
0.086 |
13 |
|
0 |
295 |
61 |
364118 |
◊ |
Q |
x,y,z |
1_555 |
248 |
59 |
6719 |
2492.4 |
-55.2 |
0.495 |
61 |
0 |
0 |
0.089 |
14 |
|
0 |
281 |
49 |
364118 |
◊ |
J |
x,y,z |
1_555 |
252 |
70 |
8586 |
2467.9 |
-36.2 |
0.661 |
46 |
0 |
0 |
0.069 |
15 |
|
0 |
332 |
54 |
364118 |
◊ |
2 |
x,y,z |
1_555 |
230 |
43 |
5158 |
2432.6 |
-31.0 |
0.653 |
34 |
0 |
0 |
0.062 |
16 |
|
9 |
271 |
43 |
19837 |
◊ |
N |
x,y,z |
1_555 |
248 |
65 |
11188 |
2316.8 |
-36.2 |
0.890 |
59 |
0 |
0 |
0.869 |
17 |
|
0 |
235 |
40 |
364118 |
◊ |
W |
x,y,z |
1_555 |
209 |
53 |
8178 |
2062.4 |
-38.1 |
0.349 |
40 |
0 |
0 |
0.075 |
18 |
|
0 |
233 |
45 |
364118 |
◊ |
K |
x,y,z |
1_555 |
203 |
49 |
7344 |
1960.6 |
-33.6 |
0.671 |
45 |
0 |
0 |
0.072 |
19 |
|
0 |
212 |
31 |
364118 |
◊ |
O |
x,y,z |
1_555 |
186 |
51 |
6567 |
1885.3 |
-27.3 |
0.725 |
43 |
0 |
0 |
0.062 |
20 |
|
0 |
213 |
41 |
364118 |
◊ |
X |
x,y,z |
1_555 |
170 |
40 |
5195 |
1717.1 |
-28.5 |
0.642 |
32 |
0 |
0 |
0.057 |
21 |
|
0 |
216 |
37 |
364118 |
◊ |
E |
x,y,z |
1_555 |
173 |
45 |
10278 |
1664.5 |
-23.9 |
0.404 |
23 |
0 |
0 |
0.046 |
22 |
|
0 |
178 |
33 |
364118 |
◊ |
Z |
x,y,z |
1_555 |
123 |
36 |
5622 |
1277.0 |
-15.9 |
0.612 |
25 |
0 |
0 |
0.036 |
23 |
|
9 |
144 |
20 |
19837 |
◊ |
D |
x,y,z |
1_555 |
128 |
35 |
10069 |
1272.6 |
-21.2 |
0.693 |
16 |
0 |
0 |
0.038 |
24 |
|
0 |
124 |
20 |
364118 |
◊ |
D |
x,y,z |
1_555 |
119 |
41 |
10069 |
1148.3 |
-12.4 |
0.911 |
25 |
0 |
0 |
0.032 |
25 |
|
0 |
128 |
19 |
364118 |
◊ |
N |
x,y,z |
1_555 |
119 |
30 |
11188 |
1124.0 |
-8.9 |
0.354 |
11 |
0 |
0 |
0.017 |
26 |
|
Z |
120 |
32 |
5622 |
◊ |
A |
x,y,z |
1_555 |
109 |
37 |
14411 |
1075.6 |
-15.6 |
0.014 |
19 |
2 |
0 |
0.032 |
27 |
|
9 |
121 |
25 |
19837 |
◊ |
0 |
x,y,z |
1_555 |
144 |
36 |
364118 |
1032.3 |
-24.7 |
0.963 |
11 |
0 |
0 |
0.040 |
28 |
|
0 |
131 |
28 |
364118 |
◊ |
S |
x,y,z |
1_555 |
101 |
33 |
5250 |
1030.0 |
-18.6 |
0.726 |
22 |
0 |
0 |
0.038 |
29 |
|
0 |
120 |
21 |
364118 |
◊ |
V |
x,y,z |
1_555 |
112 |
28 |
4707 |
1027.8 |
-13.5 |
0.790 |
21 |
0 |
0 |
0.030 |
30 |
|
0 |
110 |
18 |
364118 |
◊ |
I |
x,y,z |
1_555 |
97 |
30 |
4801 |
959.3 |
-18.3 |
0.609 |
12 |
0 |
0 |
0.031 |
31 |
|
M |
77 |
21 |
12411 |
◊ |
F |
x,y,z |
1_555 |
75 |
18 |
6343 |
731.2 |
-7.7 |
0.063 |
9 |
4 |
0 |
0.013 |
32 |
|
0 |
89 |
17 |
364118 |
◊ |
U |
x,y,z |
1_555 |
68 |
18 |
4009 |
699.6 |
-9.9 |
0.785 |
8 |
0 |
0 |
0.017 |
33 |
|
0 |
69 |
10 |
364118 |
◊ |
F |
x,y,z |
1_555 |
57 |
20 |
6343 |
627.4 |
-12.6 |
0.518 |
16 |
0 |
0 |
0.025 |
34 |
|
9 |
69 |
11 |
19837 |
◊ |
W |
x,y,z |
1_555 |
53 |
17 |
8178 |
553.9 |
-7.7 |
0.699 |
7 |
0 |
0 |
0.015 |
35 |
|
Q |
53 |
12 |
6719 |
◊ |
N |
x,y,z |
1_555 |
61 |
16 |
11188 |
545.1 |
-8.0 |
0.063 |
2 |
0 |
0 |
0.009 |
36 |
|
U |
55 |
15 |
4009 |
◊ |
K |
x,y,z |
1_555 |
53 |
17 |
7344 |
527.0 |
-6.4 |
0.125 |
6 |
1 |
0 |
0.010 |
37 |
|
0 |
52 |
9 |
364118 |
◊ |
G |
x,y,z |
1_555 |
54 |
13 |
2852 |
481.6 |
-6.0 |
0.745 |
9 |
0 |
0 |
0.011 |
38 |
|
K |
37 |
12 |
7344 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
37 |
12 |
7344 |
360.0 |
0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
39 |
|
V |
37 |
10 |
4707 |
◊ |
S |
x,y,z |
1_555 |
41 |
10 |
5250 |
359.2 |
-4.2 |
0.185 |
2 |
2 |
0 |
0.007 |
40 |
|
[1MA]0:628 |
22 |
1 |
505 |
cf |
0 |
x,y,z |
1_555 |
50 |
11 |
364118 |
328.9 |
-1.6 |
0.768 |
5 |
0 |
0 |
0.005 |
41 |
|
[ANM]0:2924 |
19 |
1 |
451 |
f |
0 |
x,y,z |
1_555 |
53 |
11 |
364118 |
323.1 |
1.2 |
0.646 |
2 |
0 |
0 |
0.000 |
42 |
|
[OMG]0:2588 |
24 |
1 |
503 |
cf |
0 |
x,y,z |
1_555 |
48 |
7 |
364118 |
293.2 |
-2.4 |
0.799 |
1 |
0 |
0 |
0.004 |
43 |
|
K |
27 |
9 |
7344 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
18540 |
280.3 |
-1.8 |
0.300 |
2 |
0 |
0 |
0.000 |
44 |
|
[OMU]0:2587 |
21 |
1 |
458 |
cf |
0 |
x,y,z |
1_555 |
47 |
11 |
364118 |
279.3 |
-1.4 |
0.818 |
1 |
0 |
0 |
0.002 |
45 |
|
J |
30 |
6 |
8586 |
◊ |
E |
x,y,z |
1_555 |
31 |
8 |
10278 |
277.5 |
-2.8 |
0.169 |
3 |
0 |
0 |
0.005 |
46 |
|
[UR3]0:2619 |
21 |
1 |
453 |
cf |
0 |
x,y,z |
1_555 |
39 |
6 |
364118 |
275.6 |
-1.1 |
0.854 |
0 |
0 |
0 |
0.001 |
47 |
|
2 |
30 |
7 |
5158 |
◊ |
S |
x,y,z |
1_555 |
32 |
9 |
5250 |
265.5 |
-3.4 |
0.178 |
3 |
1 |
0 |
0.007 |
48 |
|
9 |
33 |
7 |
19837 |
◊ |
Q |
x,y,z |
1_555 |
26 |
6 |
6719 |
263.1 |
-2.9 |
0.748 |
6 |
0 |
0 |
0.006 |
49 |
|
J |
29 |
9 |
8586 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
18540 |
248.8 |
1.5 |
0.609 |
4 |
1 |
0 |
0.000 |
50 |
|
[PSU]0:2621 |
18 |
1 |
426 |
cf |
0 |
x,y,z |
1_555 |
42 |
7 |
364118 |
247.7 |
-1.8 |
0.705 |
3 |
0 |
0 |
0.004 |
51 |
|
N |
31 |
9 |
11188 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
10069 |
238.5 |
1.6 |
0.715 |
3 |
0 |
0 |
0.000 |
52 |
|
0 |
27 |
7 |
364118 |
◊ |
V |
x,-y+1,-z |
4_565 |
17 |
7 |
4707 |
185.9 |
-3.7 |
0.453 |
3 |
0 |
0 |
0.000 |
53 |
|
O |
17 |
4 |
6567 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14500 |
180.3 |
-1.4 |
0.268 |
0 |
0 |
0 |
0.000 |
54 |
|
U |
16 |
5 |
4009 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
18540 |
179.4 |
-1.7 |
0.293 |
4 |
0 |
0 |
0.000 |
55 |
|
2 |
21 |
5 |
5158 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4907 |
178.8 |
-1.9 |
0.289 |
0 |
0 |
0 |
0.002 |
56 |
|
9 |
27 |
3 |
19837 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
2 |
364118 |
167.3 |
0.2 |
0.937 |
1 |
0 |
0 |
0.000 |
57 |
|
3 |
14 |
4 |
7877 |
◊ |
M |
x,y,z |
1_555 |
23 |
6 |
12411 |
163.3 |
-2.7 |
0.136 |
1 |
0 |
0 |
0.002 |
58 |
|
1 |
16 |
4 |
4907 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
14500 |
162.5 |
-0.9 |
0.413 |
3 |
4 |
0 |
0.002 |
59 |
|
0 |
15 |
2 |
364118 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
4 |
364118 |
152.3 |
-5.4 |
0.528 |
2 |
0 |
0 |
0.000 |
60 |
|
O |
17 |
7 |
6567 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
11517 |
136.7 |
-0.5 |
0.367 |
0 |
0 |
0 |
0.000 |
61 |
|
[K]0:8402 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
25 |
12 |
364118 |
132.1 |
-88.5 |
0.000 |
0 |
0 |
0 |
0.119 |
62 |
|
9 |
15 |
4 |
19837 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
9479 |
128.6 |
0.2 |
0.740 |
2 |
0 |
0 |
0.000 |
63 |
|
0 |
19 |
7 |
364118 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
18 |
6 |
10278 |
126.6 |
-0.9 |
0.759 |
0 |
0 |
0 |
0.000 |
64 |
|
N |
13 |
6 |
11188 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
364118 |
113.7 |
-2.5 |
0.423 |
0 |
0 |
0 |
0.000 |
65 |
|
0 |
18 |
2 |
364118 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
17 |
2 |
364118 |
109.3 |
0.3 |
0.911 |
2 |
0 |
0 |
0.000 |
66 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
17 |
7 |
364118 |
102.8 |
-82.6 |
0.000 |
0 |
0 |
0 |
0.111 |
67 |
|
[OMG]0:2588 |
13 |
1 |
503 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
12 |
1 |
458 |
90.6 |
-0.4 |
0.530 |
0 |
0 |
0 |
0.000 |
68 |
|
T |
17 |
5 |
8162 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
14500 |
90.2 |
-1.0 |
0.317 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]0:8805 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
20 |
7 |
364118 |
89.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.015 |
70 |
|
[CL]R:8806 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
8502 |
74.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.100 |
71 |
|
[CL]3:8804 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7877 |
71.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.100 |
72 |
|
[CL]M:8818 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
10 |
7 |
12411 |
69.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
73 |
|
[CD]O:8705 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
20 |
7 |
6567 |
69.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.049 |
74 |
|
[1MA]0:628 |
8 |
1 |
505 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10613 |
68.9 |
-2.3 |
0.208 |
0 |
0 |
0 |
0.002 |
75 |
|
[CL]0:8815 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
364118 |
67.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.013 |
76 |
|
[CL]0:8813 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
364118 |
65.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.013 |
77 |
|
[CL]J:8801 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8586 |
65.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.035 |
78 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
15 |
5 |
364118 |
63.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.008 |
79 |
|
[CL]J:8802 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8586 |
62.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.035 |
80 |
|
[CL]O:8808 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
5 |
6567 |
62.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.051 |
81 |
|
[CL]A:8809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14411 |
62.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
82 |
|
[CL]N:8807 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
10 |
4 |
11188 |
60.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.118 |
83 |
|
[CL]0:8814 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11517 |
60.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.045 |
84 |
|
[CL]0:8822 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
364118 |
60.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.012 |
85 |
|
W |
7 |
1 |
8178 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
11 |
1 |
364118 |
60.2 |
-0.9 |
0.278 |
0 |
0 |
0 |
0.000 |
86 |
|
Y |
7 |
1 |
10613 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
11517 |
60.0 |
0.8 |
0.648 |
0 |
0 |
0 |
0.000 |
87 |
|
[CL]L:8810 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11517 |
59.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.055 |
88 |
|
[CL]0:8803 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
364118 |
58.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.010 |
89 |
|
[CL]B:8819 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18540 |
58.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
90 |
|
[CL]0:8811 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
6719 |
57.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
91 |
|
[CL]J:8821 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
6 |
8586 |
56.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.029 |
92 |
|
[CL]0:8816 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
8586 |
55.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.007 |
93 |
|
[ANM]0:2924 |
7 |
1 |
451 |
f |
[K]0:8401 |
x,y,z |
1_555 |
1 |
1 |
216 |
55.2 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.036 |
94 |
|
[CL]0:8817 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
7 |
3 |
10613 |
54.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.006 |
95 |
|
9 |
7 |
2 |
19837 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
18540 |
53.5 |
-0.2 |
0.686 |
2 |
0 |
0 |
0.000 |
96 |
|
[CL]0:8816 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
364118 |
51.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.009 |
97 |
|
[CL]0:8812 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
7344 |
50.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.100 |
98 |
|
[CL]0:8817 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
9 |
3 |
364118 |
50.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.009 |
99 |
|
[CL]0:8812 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
12 |
4 |
364118 |
48.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.008 |
100 |
|
[CL]Y:8820 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10613 |
44.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.004 |
101 |
|
[K]0:8402 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
7 |
1 |
12411 |
43.5 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.025 |
102 |
|
[CL]0:8814 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
364118 |
43.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.005 |
103 |
|
[CL]O:8808 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
2 |
364118 |
41.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.006 |
104 |
|
[CL]B:8819 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
4 |
364118 |
39.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
105 |
|
[CL]L:8810 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
364118 |
36.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.004 |
106 |
|
0 |
6 |
2 |
364118 |
◊ |
F |
x,-y+1,-z |
4_565 |
4 |
1 |
6343 |
36.0 |
-1.9 |
0.348 |
0 |
0 |
0 |
0.000 |
107 |
|
[CL]0:8811 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
364118 |
35.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
108 |
|
D |
3 |
1 |
10069 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18540 |
33.2 |
-0.6 |
0.310 |
0 |
0 |
0 |
0.000 |
109 |
|
[CL]J:8821 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
364118 |
32.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.005 |
110 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10069 |
31.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
111 |
|
3 |
5 |
1 |
7877 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11517 |
30.8 |
0.7 |
0.545 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]0:8803 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5158 |
28.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
113 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10278 |
25.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
114 |
|
[CL]A:8809 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
364118 |
21.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
115 |
|
G |
3 |
2 |
2852 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
364118 |
18.0 |
0.5 |
0.737 |
0 |
0 |
0 |
0.000 |
116 |
|
[CL]0:8822 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
2 |
1 |
8178 |
15.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
117 |
|
[CL]R:8806 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
364118 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
118 |
|
[CL]0:8813 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10613 |
10.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
119 |
|
M |
1 |
1 |
12411 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14411 |
9.9 |
0.8 |
0.898 |
0 |
0 |
0 |
0.000 |
120 |
|
N |
1 |
1 |
11188 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10848 |
7.8 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
121 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
[CL]0:8813 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
122 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19837 |
6.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
123 |
|
I |
1 |
1 |
4801 |
◊ |
X |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
5195 |
5.1 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
124 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
364118 |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
125 |
|
[CL]J:8802 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
364118 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
2 |
1 |
1 |
5158 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
8502 |
1.2 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
127 |
|
[CD]Z:8703 |
1 |
1 |
112 |
f |
0 |
x,y,z |
1_555 |
1 |
1 |
364118 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|