| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
N |
345 |
78 |
10268 |
◊ |
M |
x,y,z |
1_555 |
337 |
80 |
9831 |
3484.5 |
-59.1 |
0.025 |
23 |
9 |
0 |
1.000 |
2 |
|
D |
339 |
80 |
10221 |
◊ |
C |
x,y,z |
1_555 |
339 |
80 |
9730 |
3436.4 |
-59.6 |
0.020 |
23 |
9 |
0 |
1.000 |
3 |
|
L |
341 |
80 |
10345 |
◊ |
K |
x,y,z |
1_555 |
329 |
80 |
10069 |
3416.1 |
-58.2 |
0.015 |
25 |
9 |
0 |
1.000 |
4 |
|
F |
336 |
79 |
9931 |
◊ |
E |
x,y,z |
1_555 |
321 |
77 |
10052 |
3314.5 |
-59.7 |
0.013 |
21 |
8 |
0 |
1.000 |
| Average: |
3412.9 |
-59.1 |
0.018 |
23 |
9 |
0 |
1.000 |
| 2 |
5 |
|
J |
135 |
42 |
17136 |
◊ |
I |
x,y,z |
1_555 |
135 |
39 |
17097 |
1336.2 |
-9.2 |
0.376 |
14 |
0 |
0 |
1.000 |
6 |
|
B |
132 |
39 |
17399 |
◊ |
A |
x,y,z |
1_555 |
135 |
40 |
16866 |
1298.4 |
-9.2 |
0.401 |
13 |
0 |
0 |
1.000 |
| Average: |
1317.3 |
-9.2 |
0.389 |
14 |
0 |
0 |
1.000 |
| 3 |
7 |
|
O |
136 |
19 |
6661 |
◊ |
I |
x,y,z |
1_555 |
128 |
37 |
17097 |
1278.5 |
-19.4 |
0.656 |
16 |
0 |
0 |
1.000 |
8 |
|
G |
136 |
19 |
6671 |
◊ |
A |
x,y,z |
1_555 |
132 |
38 |
16866 |
1268.6 |
-20.2 |
0.624 |
15 |
0 |
0 |
1.000 |
9 |
|
H |
133 |
19 |
6633 |
◊ |
B |
x,y,z |
1_555 |
129 |
37 |
17399 |
1218.1 |
-20.7 |
0.653 |
18 |
0 |
0 |
1.000 |
10 |
|
P |
135 |
19 |
6651 |
◊ |
J |
x,y,z |
1_555 |
130 |
36 |
17136 |
1216.8 |
-19.3 |
0.699 |
17 |
0 |
0 |
1.000 |
| Average: |
1245.5 |
-19.9 |
0.658 |
17 |
0 |
0 |
1.000 |
| 4 |
11 |
|
O |
70 |
14 |
6661 |
◊ |
J |
x,y,z |
1_555 |
61 |
16 |
17136 |
576.7 |
-12.3 |
0.625 |
3 |
0 |
0 |
1.000 |
12 |
|
H |
71 |
14 |
6633 |
◊ |
A |
x,y,z |
1_555 |
65 |
18 |
16866 |
566.3 |
-13.0 |
0.631 |
5 |
0 |
0 |
1.000 |
13 |
|
G |
70 |
13 |
6671 |
◊ |
B |
x,y,z |
1_555 |
63 |
16 |
17399 |
561.6 |
-13.2 |
0.606 |
4 |
0 |
0 |
1.000 |
14 |
|
P |
72 |
15 |
6651 |
◊ |
I |
x,y,z |
1_555 |
66 |
18 |
17097 |
559.6 |
-12.3 |
0.661 |
5 |
0 |
0 |
1.000 |
| Average: |
566.1 |
-12.7 |
0.631 |
4 |
0 |
0 |
1.000 |
| 5 |
15 |
|
I |
60 |
19 |
17097 |
◊ |
J |
x-1,y,z |
1_455 |
64 |
18 |
17136 |
565.5 |
-6.2 |
0.283 |
4 |
2 |
0 |
0.000 |
16 |
|
B |
57 |
19 |
17399 |
◊ |
A |
x-1,y,z |
1_455 |
65 |
20 |
16866 |
558.2 |
-5.8 |
0.316 |
4 |
1 |
0 |
0.000 |
| Average: |
561.9 |
-6.0 |
0.299 |
4 |
2 |
0 |
0.000 |
| 6 |
17 |
|
M |
42 |
10 |
9831 |
◊ |
I |
x,y,z |
1_555 |
40 |
14 |
17097 |
406.3 |
-6.3 |
0.153 |
1 |
0 |
0 |
0.114 |
18 |
|
K |
39 |
10 |
10069 |
◊ |
J |
x,y,z |
1_555 |
42 |
13 |
17136 |
405.8 |
-6.3 |
0.160 |
1 |
0 |
0 |
0.114 |
19 |
|
C |
40 |
10 |
9730 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
17399 |
401.9 |
-6.3 |
0.169 |
1 |
0 |
0 |
0.114 |
20 |
|
E |
42 |
11 |
10052 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
16866 |
393.8 |
-6.2 |
0.153 |
1 |
0 |
0 |
0.114 |
| Average: |
402.0 |
-6.2 |
0.159 |
1 |
0 |
0 |
0.114 |
| 7 |
21 |
|
H |
36 |
3 |
6633 |
◊ |
G |
x,y,z |
1_555 |
37 |
3 |
6671 |
297.5 |
2.1 |
0.975 |
6 |
0 |
0 |
0.014 |
22 |
|
P |
36 |
3 |
6651 |
◊ |
O |
x,y,z |
1_555 |
36 |
3 |
6661 |
295.9 |
1.4 |
0.967 |
6 |
0 |
0 |
0.014 |
| Average: |
296.7 |
1.7 |
0.971 |
6 |
0 |
0 |
0.014 |
| 8 |
23 |
|
E |
24 |
5 |
10052 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
17399 |
291.9 |
-4.4 |
0.261 |
1 |
0 |
0 |
0.093 |
24 |
|
K |
24 |
5 |
10069 |
◊ |
I |
x,y,z |
1_555 |
32 |
10 |
17097 |
276.1 |
-5.2 |
0.166 |
1 |
0 |
0 |
0.093 |
25 |
|
C |
23 |
5 |
9730 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
16866 |
273.2 |
-5.3 |
0.157 |
2 |
0 |
0 |
0.093 |
26 |
|
M |
22 |
5 |
9831 |
◊ |
J |
x,y,z |
1_555 |
31 |
11 |
17136 |
261.5 |
-4.8 |
0.166 |
1 |
0 |
0 |
0.093 |
| Average: |
275.7 |
-4.9 |
0.187 |
1 |
0 |
0 |
0.093 |
| 9 |
27 |
|
I |
30 |
9 |
17097 |
◊ |
K |
x-1,y,z |
1_455 |
26 |
9 |
10069 |
260.2 |
-0.3 |
0.672 |
3 |
0 |
0 |
0.000 |
28 |
|
B |
25 |
7 |
17399 |
◊ |
E |
x-1,y,z |
1_455 |
22 |
7 |
10052 |
216.7 |
-2.6 |
0.398 |
1 |
0 |
0 |
0.000 |
29 |
|
M |
22 |
7 |
9831 |
◊ |
J |
x-1,y,z |
1_455 |
24 |
7 |
17136 |
211.1 |
-2.1 |
0.436 |
3 |
0 |
0 |
0.000 |
30 |
|
C |
19 |
7 |
9730 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
7 |
16866 |
184.8 |
-1.7 |
0.442 |
2 |
0 |
0 |
0.000 |
| Average: |
218.2 |
-1.7 |
0.487 |
2 |
0 |
0 |
0.000 |
| 10 |
31 |
|
N |
27 |
8 |
10268 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
9 |
16866 |
257.2 |
1.1 |
0.763 |
3 |
3 |
0 |
0.000 |
| 11 |
32 |
|
[73W]H:3 |
20 |
1 |
477 |
cf |
H |
x,y,z |
1_555 |
30 |
3 |
6633 |
239.6 |
0.9 |
0.848 |
3 |
0 |
0 |
0.100 |
33 |
|
[73W]G:3 |
19 |
1 |
469 |
cf |
G |
x,y,z |
1_555 |
31 |
4 |
6671 |
233.1 |
1.2 |
0.869 |
3 |
0 |
0 |
0.100 |
34 |
|
[73W]O:3 |
19 |
1 |
468 |
cf |
O |
x,y,z |
1_555 |
31 |
3 |
6661 |
230.1 |
1.3 |
0.871 |
3 |
0 |
0 |
0.100 |
| Average: |
234.2 |
1.1 |
0.863 |
3 |
0 |
0 |
0.100 |
| 12 |
35 |
|
[73W]P:3 |
20 |
1 |
490 |
cf |
P |
x,y,z |
1_555 |
31 |
4 |
6651 |
235.4 |
0.6 |
0.886 |
3 |
0 |
0 |
0.100 |
| 13 |
36 |
|
N |
28 |
6 |
10268 |
◊ |
I |
x,y,z |
1_555 |
21 |
7 |
17097 |
202.2 |
-2.9 |
0.276 |
2 |
0 |
0 |
0.042 |
37 |
|
L |
25 |
5 |
10345 |
◊ |
J |
x,y,z |
1_555 |
19 |
6 |
17136 |
198.2 |
-2.9 |
0.253 |
2 |
0 |
0 |
0.042 |
38 |
|
D |
26 |
5 |
10221 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
17399 |
189.7 |
-3.2 |
0.285 |
1 |
0 |
0 |
0.042 |
39 |
|
F |
27 |
6 |
9931 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
16866 |
189.3 |
-2.8 |
0.321 |
2 |
0 |
0 |
0.042 |
| Average: |
194.8 |
-2.9 |
0.284 |
2 |
0 |
0 |
0.042 |
| 14 |
40 |
|
D |
17 |
5 |
10221 |
◊ |
J |
x,y,z |
1_555 |
24 |
8 |
17136 |
202.0 |
2.7 |
0.877 |
4 |
2 |
0 |
0.000 |
| 15 |
41 |
|
G |
25 |
6 |
6671 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
23 |
6 |
17399 |
184.2 |
-3.6 |
0.664 |
4 |
0 |
0 |
0.000 |
42 |
|
O |
30 |
6 |
6661 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
21 |
5 |
17136 |
153.5 |
-2.7 |
0.750 |
4 |
0 |
0 |
0.000 |
43 |
|
A |
19 |
5 |
16866 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
6633 |
150.5 |
-4.4 |
0.578 |
4 |
0 |
0 |
0.000 |
44 |
|
I |
18 |
5 |
17097 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
20 |
6 |
6651 |
146.6 |
-4.3 |
0.545 |
5 |
0 |
0 |
0.000 |
| Average: |
158.7 |
-3.7 |
0.634 |
4 |
0 |
0 |
0.000 |
| 16 |
45 |
|
I |
14 |
4 |
17097 |
◊ |
N |
-x-1,y-1/2,-z |
2_445 |
17 |
5 |
10268 |
144.1 |
-2.1 |
0.323 |
1 |
1 |
0 |
0.000 |
46 |
|
A |
14 |
4 |
16866 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
9931 |
140.3 |
-1.7 |
0.353 |
1 |
1 |
0 |
0.000 |
47 |
|
D |
18 |
5 |
10221 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
14 |
4 |
17399 |
131.2 |
-1.6 |
0.384 |
1 |
1 |
0 |
0.000 |
48 |
|
L |
17 |
5 |
10345 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
12 |
4 |
17136 |
129.9 |
-1.8 |
0.328 |
1 |
1 |
0 |
0.000 |
| Average: |
136.4 |
-1.8 |
0.347 |
1 |
1 |
0 |
0.000 |
| 17 |
49 |
|
P |
17 |
2 |
6651 |
◊ |
M |
x,y,z |
1_555 |
18 |
5 |
9831 |
143.0 |
0.5 |
0.854 |
0 |
0 |
0 |
0.024 |
50 |
|
O |
18 |
2 |
6661 |
◊ |
K |
x,y,z |
1_555 |
20 |
5 |
10069 |
142.9 |
-1.4 |
0.633 |
2 |
0 |
0 |
0.024 |
51 |
|
G |
17 |
2 |
6671 |
◊ |
C |
x,y,z |
1_555 |
20 |
5 |
9730 |
140.8 |
-1.5 |
0.640 |
0 |
0 |
0 |
0.024 |
52 |
|
H |
18 |
2 |
6633 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
10052 |
138.0 |
-0.8 |
0.644 |
2 |
0 |
0 |
0.024 |
| Average: |
141.2 |
-0.8 |
0.693 |
1 |
0 |
0 |
0.024 |
| 18 |
53 |
|
N |
14 |
6 |
10268 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
3 |
10052 |
110.4 |
0.9 |
0.753 |
1 |
0 |
0 |
0.000 |
| 19 |
54 |
|
[EDO]I:501 |
4 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
17 |
7 |
17097 |
108.9 |
3.7 |
0.687 |
4 |
0 |
0 |
0.000 |
| 20 |
55 |
|
[EDO]I:502 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
11 |
6 |
17097 |
104.7 |
2.9 |
0.477 |
2 |
0 |
0 |
0.000 |
| 21 |
56 |
|
A |
12 |
4 |
16866 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
17399 |
94.1 |
-0.7 |
0.527 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
6 |
4 |
16866 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
17399 |
54.6 |
-0.8 |
0.364 |
0 |
0 |
0 |
0.000 |
58 |
|
I |
4 |
3 |
17097 |
◊ |
J |
-x-1,y-1/2,-z |
2_445 |
7 |
2 |
17136 |
53.0 |
-0.9 |
0.255 |
0 |
0 |
0 |
0.000 |
59 |
|
I |
7 |
2 |
17097 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
7 |
3 |
17136 |
49.6 |
-0.7 |
0.428 |
0 |
0 |
0 |
0.000 |
| Average: |
62.8 |
-0.8 |
0.394 |
0 |
0 |
0 |
0.000 |
| 22 |
60 |
|
[EDO]I:505 |
4 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
17 |
8 |
17097 |
94.0 |
2.1 |
0.268 |
2 |
0 |
0 |
0.000 |
| 23 |
61 |
|
N |
11 |
5 |
10268 |
◊ |
J |
x,y,z |
1_555 |
10 |
4 |
17136 |
87.8 |
-0.8 |
0.534 |
0 |
0 |
0 |
0.012 |
62 |
|
L |
11 |
5 |
10345 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
17097 |
84.7 |
-1.0 |
0.481 |
0 |
0 |
0 |
0.012 |
63 |
|
F |
10 |
4 |
9931 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
17399 |
84.4 |
-1.1 |
0.461 |
0 |
0 |
0 |
0.012 |
64 |
|
D |
9 |
4 |
10221 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
16866 |
81.5 |
-1.0 |
0.456 |
0 |
0 |
0 |
0.012 |
| Average: |
84.6 |
-1.0 |
0.483 |
0 |
0 |
0 |
0.012 |
| 24 |
65 |
|
[EDO]J:501 |
4 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
17136 |
77.9 |
1.4 |
0.173 |
1 |
0 |
0 |
0.000 |
| 25 |
66 |
|
[EDO]H:101 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
6633 |
77.7 |
0.9 |
0.303 |
3 |
0 |
0 |
0.048 |
| 26 |
67 |
|
C |
7 |
4 |
9730 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
17097 |
77.7 |
3.2 |
0.949 |
3 |
3 |
0 |
0.000 |
| 27 |
68 |
|
[EDO]H:101 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
16866 |
77.1 |
2.5 |
0.280 |
0 |
0 |
0 |
0.000 |
| 28 |
69 |
|
D |
9 |
3 |
10221 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
16866 |
72.8 |
0.8 |
0.787 |
1 |
0 |
0 |
0.000 |
70 |
|
L |
9 |
3 |
10345 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
5 |
2 |
17097 |
48.9 |
0.3 |
0.708 |
1 |
0 |
0 |
0.000 |
71 |
|
J |
4 |
1 |
17136 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
9 |
3 |
10268 |
47.9 |
0.5 |
0.756 |
1 |
0 |
0 |
0.000 |
72 |
|
B |
4 |
1 |
17399 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
9931 |
46.1 |
0.3 |
0.742 |
1 |
0 |
0 |
0.000 |
| Average: |
53.9 |
0.5 |
0.748 |
1 |
0 |
0 |
0.000 |
| 29 |
73 |
|
O |
11 |
3 |
6661 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
10345 |
67.3 |
-0.4 |
0.681 |
2 |
0 |
0 |
0.015 |
74 |
|
G |
10 |
3 |
6671 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
10221 |
66.2 |
-1.4 |
0.642 |
1 |
0 |
0 |
0.015 |
75 |
|
P |
9 |
3 |
6651 |
◊ |
N |
x,y,z |
1_555 |
5 |
2 |
10268 |
64.8 |
-2.0 |
0.562 |
1 |
0 |
0 |
0.015 |
76 |
|
H |
11 |
3 |
6633 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
9931 |
62.2 |
-1.4 |
0.670 |
2 |
0 |
0 |
0.015 |
| Average: |
65.1 |
-1.3 |
0.639 |
2 |
0 |
0 |
0.015 |
| 30 |
77 |
|
[EDO]I:503 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
12 |
3 |
17136 |
67.1 |
1.4 |
0.710 |
0 |
0 |
0 |
0.000 |
| 31 |
78 |
|
[EDO]F:201 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
9931 |
66.7 |
0.7 |
0.548 |
1 |
0 |
0 |
0.000 |
| 32 |
79 |
|
[EDO]E:201 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
10052 |
65.8 |
2.1 |
0.301 |
0 |
0 |
0 |
0.000 |
| 33 |
80 |
|
C |
6 |
2 |
9730 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
17136 |
65.6 |
1.3 |
0.848 |
0 |
0 |
0 |
0.000 |
| 34 |
81 |
|
[73W]P:3 |
10 |
1 |
490 |
◊ |
O |
x,y,z |
1_555 |
10 |
1 |
6661 |
64.1 |
2.0 |
0.851 |
0 |
0 |
0 |
0.000 |
82 |
|
[73W]G:3 |
9 |
1 |
469 |
◊ |
H |
x,y,z |
1_555 |
9 |
1 |
6633 |
62.5 |
1.9 |
0.823 |
0 |
0 |
0 |
0.000 |
83 |
|
[73W]H:3 |
10 |
1 |
477 |
◊ |
G |
x,y,z |
1_555 |
9 |
1 |
6671 |
62.4 |
1.9 |
0.813 |
0 |
0 |
0 |
0.000 |
84 |
|
[73W]O:3 |
9 |
1 |
468 |
◊ |
P |
x,y,z |
1_555 |
8 |
1 |
6651 |
62.1 |
1.9 |
0.829 |
0 |
0 |
0 |
0.000 |
| Average: |
62.8 |
1.9 |
0.829 |
0 |
0 |
0 |
0.000 |
| 35 |
85 |
|
[EDO]A:501 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
16866 |
63.6 |
1.9 |
0.274 |
0 |
0 |
0 |
0.000 |
| 36 |
86 |
|
[EDO]I:504 |
3 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
10 |
4 |
17097 |
61.5 |
1.7 |
0.267 |
0 |
0 |
0 |
0.000 |
| 37 |
87 |
|
O |
7 |
2 |
6661 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
4 |
2 |
9831 |
60.2 |
-1.9 |
0.448 |
1 |
0 |
0 |
0.000 |
88 |
|
K |
4 |
2 |
10069 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
5 |
2 |
6651 |
33.9 |
-0.5 |
0.595 |
1 |
0 |
0 |
0.000 |
89 |
|
C |
3 |
2 |
9730 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
6633 |
32.6 |
-0.4 |
0.611 |
1 |
0 |
0 |
0.000 |
90 |
|
G |
3 |
1 |
6671 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
10052 |
23.4 |
-0.6 |
0.570 |
1 |
0 |
0 |
0.000 |
| Average: |
37.5 |
-0.9 |
0.556 |
1 |
0 |
0 |
0.000 |
| 38 |
91 |
|
[EDO]I:503 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
8 |
2 |
17097 |
58.2 |
1.0 |
0.785 |
1 |
0 |
0 |
0.000 |
| 39 |
92 |
|
[EDO]F:201 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
10052 |
56.9 |
1.2 |
0.254 |
0 |
0 |
0 |
0.000 |
| 40 |
93 |
|
[73W]P:3 |
2 |
1 |
490 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
17097 |
56.8 |
-2.0 |
0.393 |
1 |
0 |
0 |
0.177 |
94 |
|
[73W]O:3 |
3 |
1 |
468 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
17136 |
55.4 |
-1.8 |
0.373 |
0 |
0 |
0 |
0.177 |
95 |
|
[73W]G:3 |
3 |
1 |
469 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17399 |
52.5 |
-1.6 |
0.389 |
0 |
0 |
0 |
0.177 |
96 |
|
[73W]H:3 |
3 |
1 |
477 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16866 |
51.4 |
-1.8 |
0.413 |
0 |
0 |
0 |
0.177 |
| Average: |
54.0 |
-1.8 |
0.392 |
0 |
0 |
0 |
0.177 |
| 41 |
97 |
|
[EDO]I:502 |
4 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
6 |
4 |
17136 |
56.1 |
0.6 |
0.567 |
0 |
0 |
0 |
0.000 |
| 42 |
98 |
|
L |
7 |
2 |
10345 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
10221 |
53.7 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
| 43 |
99 |
|
[73W]P:3 |
5 |
1 |
490 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
17136 |
45.3 |
-1.6 |
0.253 |
0 |
0 |
0 |
0.054 |
100 |
|
[73W]O:3 |
5 |
1 |
468 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
17097 |
44.4 |
-1.3 |
0.373 |
0 |
0 |
0 |
0.054 |
101 |
|
[73W]G:3 |
4 |
1 |
469 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16866 |
32.2 |
-1.5 |
0.339 |
0 |
0 |
0 |
0.054 |
102 |
|
[73W]H:3 |
4 |
1 |
477 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
17399 |
27.9 |
-1.4 |
0.267 |
0 |
0 |
0 |
0.054 |
| Average: |
37.4 |
-1.4 |
0.308 |
0 |
0 |
0 |
0.054 |
| 44 |
103 |
|
[EDO]E:201 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
9931 |
37.2 |
0.3 |
0.717 |
1 |
0 |
0 |
0.002 |
| 45 |
104 |
|
L |
6 |
3 |
10345 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
9730 |
35.7 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 46 |
105 |
|
J |
4 |
1 |
17136 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
4 |
1 |
9831 |
33.1 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
| 47 |
106 |
|
[EDO]I:504 |
2 |
1 |
186 |
◊ |
N |
x,y,z |
1_555 |
4 |
2 |
10268 |
31.4 |
0.4 |
0.669 |
0 |
0 |
0 |
0.000 |
| 48 |
107 |
|
D |
6 |
2 |
10221 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
17097 |
28.1 |
-0.3 |
0.478 |
0 |
0 |
0 |
0.000 |
| 49 |
108 |
|
[EDO]J:501 |
3 |
1 |
186 |
◊ |
P |
x,y,z |
1_555 |
6 |
2 |
6651 |
24.4 |
0.3 |
0.847 |
0 |
0 |
0 |
0.000 |
| 50 |
109 |
|
[EDO]A:501 |
2 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
9931 |
23.7 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
| 51 |
110 |
|
[EDO]I:501 |
2 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
17136 |
20.3 |
0.9 |
0.912 |
0 |
0 |
0 |
0.000 |
| 52 |
111 |
|
A |
3 |
3 |
16866 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
10052 |
18.4 |
0.9 |
0.849 |
1 |
0 |
0 |
0.000 |
112 |
|
I |
1 |
1 |
17097 |
◊ |
M |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
9831 |
11.0 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
113 |
|
C |
1 |
1 |
9730 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
17399 |
8.6 |
0.4 |
0.855 |
0 |
0 |
0 |
0.000 |
114 |
|
K |
1 |
1 |
10069 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
1 |
1 |
17136 |
2.6 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
10.1 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
| 53 |
115 |
|
I |
2 |
1 |
17097 |
◊ |
L |
x-1,y,z |
1_455 |
3 |
1 |
10345 |
13.7 |
0.3 |
0.663 |
0 |
0 |
0 |
0.000 |
116 |
|
B |
1 |
1 |
17399 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
9931 |
6.6 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
117 |
|
D |
1 |
1 |
10221 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
16866 |
3.9 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| Average: |
8.1 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
| 54 |
118 |
|
L |
1 |
1 |
10345 |
f |
[EDO]J:501 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
186 |
13.2 |
-0.1 |
0.494 |
0 |
0 |
0 |
0.100 |
| 55 |
119 |
|
[EDO]I:503 |
1 |
1 |
184 |
f |
[EDO]I:501 |
x,y,z |
1_555 |
2 |
1 |
187 |
3.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 56 |
120 |
|
K |
1 |
1 |
10069 |
◊ |
[EDO]J:501 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
186 |
1.5 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
| 57 |
121 |
|
[EDO]I:504 |
1 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
17136 |
1.4 |
0.1 |
0.845 |
0 |
0 |
0 |
0.000 |
|