## |
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 |
|
J |
680 |
145 |
32375 |
◊ |
I |
x,y,z |
1_555 |
683 |
145 |
32228 |
6618.5 |
-82.5 |
0.948 |
415 |
0 |
0 |
0.456 |
2 |
2 |
|
F |
237 |
56 |
7801 |
◊ |
E |
x,y,z |
1_555 |
269 |
60 |
8607 |
2597.2 |
-40.4 |
0.051 |
25 |
7 |
0 |
1.000 |
3 |
|
B |
227 |
52 |
6498 |
◊ |
A |
x,y,z |
1_555 |
251 |
57 |
8612 |
2411.5 |
-37.7 |
0.063 |
22 |
6 |
0 |
1.000 |
Average: |
2504.3 |
-39.1 |
0.057 |
24 |
7 |
0 |
1.000 |
3 |
4 |
|
H |
269 |
65 |
8396 |
◊ |
G |
x,y,z |
1_555 |
253 |
60 |
8363 |
2553.6 |
-41.3 |
0.040 |
20 |
6 |
0 |
0.840 |
5 |
|
D |
254 |
62 |
8445 |
◊ |
C |
x,y,z |
1_555 |
247 |
60 |
8574 |
2465.5 |
-44.4 |
0.020 |
21 |
6 |
0 |
0.840 |
Average: |
2509.6 |
-42.9 |
0.030 |
21 |
6 |
0 |
0.840 |
4 |
6 |
|
I |
91 |
17 |
32228 |
◊ |
E |
x,y,z |
1_555 |
84 |
24 |
8607 |
759.2 |
-9.9 |
0.620 |
16 |
0 |
0 |
0.150 |
7 |
|
J |
95 |
17 |
32375 |
◊ |
A |
x,y,z |
1_555 |
88 |
24 |
8612 |
711.0 |
-10.4 |
0.640 |
14 |
0 |
0 |
0.150 |
Average: |
735.1 |
-10.1 |
0.630 |
15 |
0 |
0 |
0.150 |
5 |
8 |
|
I |
93 |
17 |
32228 |
◊ |
A |
x,y,z |
1_555 |
77 |
23 |
8612 |
713.6 |
-7.6 |
0.708 |
13 |
0 |
0 |
0.132 |
9 |
|
J |
91 |
17 |
32375 |
◊ |
E |
x,y,z |
1_555 |
76 |
23 |
8607 |
703.5 |
-10.8 |
0.610 |
14 |
0 |
0 |
0.132 |
Average: |
708.6 |
-9.2 |
0.659 |
14 |
0 |
0 |
0.132 |
6 |
10 |
|
G |
63 |
17 |
8363 |
◊ |
A |
x,y,z |
1_555 |
65 |
20 |
8612 |
690.5 |
-8.0 |
0.266 |
7 |
0 |
0 |
0.605 |
11 |
|
C |
58 |
16 |
8574 |
◊ |
E |
x,y,z |
1_555 |
62 |
20 |
8607 |
667.2 |
-8.2 |
0.268 |
9 |
0 |
0 |
0.605 |
Average: |
678.9 |
-8.1 |
0.267 |
8 |
0 |
0 |
0.605 |
7 |
12 |
|
E |
52 |
14 |
8607 |
◊ |
A |
x,y,z |
1_555 |
63 |
15 |
8612 |
602.9 |
-9.1 |
0.252 |
2 |
3 |
0 |
0.080 |
8 |
13 |
|
H |
54 |
13 |
8396 |
◊ |
F |
x,y,z |
1_555 |
60 |
12 |
7801 |
518.3 |
-0.5 |
0.713 |
5 |
3 |
0 |
0.035 |
14 |
|
D |
53 |
12 |
8445 |
◊ |
B |
x,y,z |
1_555 |
57 |
11 |
6498 |
496.0 |
-1.8 |
0.668 |
6 |
3 |
0 |
0.035 |
Average: |
507.2 |
-1.2 |
0.690 |
6 |
3 |
0 |
0.035 |
9 |
15 |
|
J |
59 |
12 |
32375 |
◊ |
C |
x,y,z |
1_555 |
49 |
17 |
8574 |
486.4 |
-6.7 |
0.584 |
8 |
0 |
0 |
0.093 |
16 |
|
I |
58 |
12 |
32228 |
◊ |
G |
x,y,z |
1_555 |
45 |
16 |
8363 |
466.0 |
-6.5 |
0.570 |
9 |
0 |
0 |
0.093 |
Average: |
476.2 |
-6.6 |
0.577 |
9 |
0 |
0 |
0.093 |
10 |
17 |
|
J |
60 |
10 |
32375 |
◊ |
D |
x,y,z |
1_555 |
50 |
14 |
8445 |
483.4 |
-4.6 |
0.681 |
7 |
0 |
0 |
0.054 |
18 |
|
I |
55 |
10 |
32228 |
◊ |
H |
x,y,z |
1_555 |
57 |
14 |
8396 |
462.9 |
-7.0 |
0.544 |
9 |
0 |
0 |
0.054 |
Average: |
473.1 |
-5.8 |
0.612 |
8 |
0 |
0 |
0.054 |
11 |
19 |
|
I |
53 |
13 |
32228 |
◊ |
D |
x,y,z |
1_555 |
41 |
14 |
8445 |
408.1 |
-3.0 |
0.694 |
10 |
0 |
0 |
0.067 |
20 |
|
J |
44 |
13 |
32375 |
◊ |
H |
x,y,z |
1_555 |
41 |
14 |
8396 |
378.4 |
-5.1 |
0.548 |
13 |
0 |
0 |
0.067 |
Average: |
393.3 |
-4.1 |
0.621 |
12 |
0 |
0 |
0.067 |
12 |
21 |
|
G |
40 |
13 |
8363 |
◊ |
B |
x,y,z |
1_555 |
48 |
12 |
6498 |
385.3 |
-4.3 |
0.320 |
5 |
0 |
0 |
0.051 |
22 |
|
C |
44 |
15 |
8574 |
◊ |
F |
x,y,z |
1_555 |
45 |
12 |
7801 |
379.6 |
-4.8 |
0.322 |
4 |
0 |
0 |
0.051 |
Average: |
382.4 |
-4.6 |
0.321 |
5 |
0 |
0 |
0.051 |
13 |
23 |
|
I |
46 |
8 |
32228 |
◊ |
F |
x,y,z |
1_555 |
44 |
15 |
7801 |
369.0 |
-8.1 |
0.425 |
6 |
0 |
0 |
0.061 |
24 |
|
J |
42 |
7 |
32375 |
◊ |
B |
x,y,z |
1_555 |
42 |
15 |
6498 |
351.7 |
-7.8 |
0.426 |
6 |
0 |
0 |
0.061 |
Average: |
360.4 |
-8.0 |
0.426 |
6 |
0 |
0 |
0.061 |
14 |
25 |
|
I |
47 |
11 |
32228 |
◊ |
C |
x,y,z |
1_555 |
46 |
14 |
8574 |
368.5 |
-5.9 |
0.547 |
6 |
0 |
0 |
0.046 |
26 |
|
J |
47 |
11 |
32375 |
◊ |
G |
x,y,z |
1_555 |
40 |
11 |
8363 |
358.6 |
-4.7 |
0.603 |
5 |
0 |
0 |
0.046 |
Average: |
363.6 |
-5.3 |
0.575 |
6 |
0 |
0 |
0.046 |
15 |
27 |
|
J |
39 |
10 |
32375 |
◊ |
F |
x,y,z |
1_555 |
34 |
13 |
7801 |
301.1 |
-5.3 |
0.514 |
5 |
0 |
0 |
0.051 |
28 |
|
I |
38 |
8 |
32228 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
6498 |
242.5 |
-1.5 |
0.708 |
4 |
0 |
0 |
0.051 |
Average: |
271.8 |
-3.4 |
0.611 |
5 |
0 |
0 |
0.051 |
16 |
29 |
|
F |
33 |
8 |
7801 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
9 |
8445 |
295.6 |
1.0 |
0.753 |
2 |
6 |
0 |
0.000 |
17 |
30 |
|
H |
35 |
11 |
8396 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
6498 |
272.6 |
-0.0 |
0.713 |
5 |
3 |
0 |
0.024 |
31 |
|
D |
39 |
10 |
8445 |
◊ |
F |
x,y,z |
1_555 |
28 |
8 |
7801 |
263.7 |
-1.6 |
0.574 |
4 |
0 |
0 |
0.024 |
Average: |
268.2 |
-0.8 |
0.643 |
5 |
2 |
0 |
0.024 |
18 |
32 |
|
F |
19 |
6 |
7801 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
8 |
8574 |
192.0 |
-0.7 |
0.591 |
1 |
1 |
0 |
0.002 |
19 |
33 |
|
J |
24 |
4 |
32375 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
19 |
3 |
32228 |
138.5 |
2.9 |
0.851 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
G |
16 |
4 |
8363 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
8574 |
129.2 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
I |
11 |
3 |
32228 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
8445 |
101.8 |
-4.3 |
0.247 |
1 |
0 |
0 |
0.005 |
22 |
36 |
|
[K]J:1051 |
1 |
1 |
216 |
f |
J |
x,y,z |
1_555 |
15 |
3 |
32375 |
91.9 |
-57.3 |
0.000 |
0 |
0 |
0 |
0.508 |
37 |
|
[K]I:1052 |
1 |
1 |
216 |
f |
I |
x,y,z |
1_555 |
15 |
3 |
32228 |
89.2 |
-54.5 |
0.000 |
0 |
0 |
0 |
0.508 |
Average: |
90.5 |
-55.9 |
0.000 |
0 |
0 |
0 |
0.508 |
23 |
38 |
|
[K]I:1052 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
14 |
4 |
32375 |
85.9 |
-48.3 |
0.000 |
0 |
0 |
0 |
0.159 |
39 |
|
[K]J:1051 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
15 |
4 |
32228 |
82.8 |
-44.5 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
84.3 |
-46.4 |
0.000 |
0 |
0 |
0 |
0.159 |
24 |
40 |
|
I |
11 |
3 |
32228 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
10 |
4 |
8612 |
85.9 |
-2.4 |
0.445 |
1 |
0 |
0 |
0.000 |
25 |
41 |
|
E |
11 |
4 |
8607 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
3 |
8574 |
76.3 |
-0.8 |
0.567 |
1 |
0 |
0 |
0.001 |
26 |
42 |
|
I |
11 |
3 |
32228 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
11 |
3 |
32375 |
74.0 |
-1.3 |
0.538 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
H |
8 |
3 |
8396 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
32228 |
73.2 |
-0.6 |
0.618 |
1 |
0 |
0 |
0.000 |
28 |
44 |
|
J |
6 |
4 |
32375 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
5 |
8445 |
71.7 |
-2.7 |
0.284 |
1 |
0 |
0 |
0.004 |
29 |
45 |
|
H |
5 |
3 |
8396 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
2 |
32375 |
69.1 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
J |
8 |
1 |
32375 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
1 |
32375 |
67.0 |
1.3 |
0.740 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
E |
8 |
3 |
8607 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8445 |
62.2 |
0.3 |
0.701 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
C |
6 |
4 |
8574 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
8612 |
60.8 |
1.8 |
0.867 |
1 |
0 |
0 |
0.000 |
49 |
|
G |
4 |
2 |
8363 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
8607 |
33.2 |
0.8 |
0.795 |
1 |
0 |
0 |
0.000 |
Average: |
47.0 |
1.3 |
0.831 |
1 |
0 |
0 |
0.000 |
33 |
50 |
|
D |
4 |
2 |
8445 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8363 |
59.6 |
-0.3 |
0.554 |
1 |
0 |
0 |
0.005 |
51 |
|
H |
4 |
2 |
8396 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8574 |
59.3 |
-0.0 |
0.603 |
1 |
0 |
0 |
0.005 |
Average: |
59.4 |
-0.1 |
0.579 |
1 |
0 |
0 |
0.005 |
34 |
52 |
|
[MN]J:1026 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32375 |
55.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.036 |
53 |
|
[MN]I:1023 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32228 |
55.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
55.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
35 |
54 |
|
[MN]I:1003 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32228 |
54.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.037 |
55 |
|
[MN]J:1017 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
32375 |
54.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
54.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.037 |
36 |
56 |
|
[MN]I:1005 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32228 |
53.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.038 |
57 |
|
[MN]J:1002 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32375 |
50.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
51.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.038 |
37 |
58 |
|
[MN]I:1007 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
32228 |
53.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.036 |
59 |
|
[MN]J:1008 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
32375 |
51.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
52.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
38 |
60 |
|
[MN]J:1009 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
2 |
32375 |
51.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.034 |
61 |
|
[MN]I:1018 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32228 |
51.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
51.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.034 |
39 |
62 |
|
[MN]J:1010 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32375 |
51.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.025 |
40 |
63 |
|
[MN]J:1015 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32375 |
51.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
64 |
|
[MN]I:1021 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
32228 |
46.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
49.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.030 |
41 |
65 |
|
[MN]I:1006 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32228 |
51.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.029 |
66 |
|
[MN]J:1012 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32375 |
47.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
49.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.029 |
42 |
67 |
|
[MN]J:1004 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32375 |
50.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.031 |
68 |
|
[MN]I:1011 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32228 |
48.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
49.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.031 |
43 |
69 |
|
[MN]E:1001 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
8607 |
49.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.126 |
44 |
70 |
|
[MN]J:1025 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
2 |
32375 |
48.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
45 |
71 |
|
[MN]J:1022 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32375 |
46.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.029 |
72 |
|
[MN]I:1016 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32228 |
45.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
45.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.029 |
46 |
73 |
|
[MN]J:1024 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
4 |
32375 |
46.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.029 |
74 |
|
[MN]I:1013 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
6 |
3 |
32228 |
43.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
44.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.029 |
47 |
75 |
|
[MN]I:1028 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
32375 |
46.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.003 |
48 |
76 |
|
[CL]G:1101 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8363 |
44.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.269 |
77 |
|
[CL]C:1102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8574 |
41.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.269 |
Average: |
43.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.269 |
49 |
78 |
|
[CL]G:1101 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8396 |
43.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.087 |
79 |
|
[CL]C:1102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8445 |
41.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
42.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.087 |
50 |
80 |
|
[MN]J:1029 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
32375 |
42.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.024 |
51 |
81 |
|
[MN]I:1027 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
32228 |
41.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.003 |
52 |
82 |
|
[MN]J:1020 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
32375 |
41.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.020 |
83 |
|
[MN]I:1014 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32228 |
39.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
40.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.020 |
53 |
84 |
|
[MN]I:1019 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
32228 |
38.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
54 |
85 |
|
[MN]E:1001 |
1 |
1 |
123 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
8445 |
38.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
55 |
86 |
|
[MN]I:1028 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
2 |
32228 |
37.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.025 |
56 |
87 |
|
[MN]I:1019 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32375 |
36.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.017 |
57 |
88 |
|
[MN]J:1025 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
32228 |
31.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
58 |
89 |
|
[MN]I:1027 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
32375 |
28.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.016 |
59 |
90 |
|
[MN]I:1013 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
3 |
3 |
32375 |
24.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
91 |
|
[MN]J:1024 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32228 |
16.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
20.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
60 |
92 |
|
[MN]J:1020 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
32228 |
21.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.006 |
93 |
|
[MN]I:1014 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32375 |
12.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
61 |
94 |
|
[MN]I:1007 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32375 |
19.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.003 |
95 |
|
[MN]J:1008 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32228 |
10.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
14.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
62 |
96 |
|
J |
2 |
1 |
32375 |
x |
J |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
32375 |
16.8 |
-1.7 |
0.209 |
0 |
0 |
0 |
0.000 |
63 |
97 |
|
[CL]C:1102 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32375 |
16.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.020 |
98 |
|
[CL]G:1101 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32228 |
15.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
15.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.020 |
64 |
99 |
|
[MN]I:1005 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32375 |
16.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
100 |
|
[MN]J:1002 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32228 |
13.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
14.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
65 |
101 |
|
[MN]E:1001 |
1 |
1 |
123 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8574 |
12.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
102 |
|
[MN]J:1029 |
1 |
1 |
123 |
◊ |
[CL]C:1102 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
67 |
103 |
|
[MN]I:1018 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32375 |
11.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
104 |
|
[MN]J:1009 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32228 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
6.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
68 |
105 |
|
[MN]J:1022 |
1 |
1 |
123 |
◊ |
[MN]I:1007 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
69 |
106 |
|
[MN]J:1029 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8445 |
11.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
70 |
107 |
|
[MN]J:1022 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32228 |
11.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
108 |
|
[MN]I:1016 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32375 |
5.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
71 |
109 |
|
[MN]J:1017 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
32228 |
10.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
110 |
|
[MN]I:1003 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32375 |
4.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
72 |
111 |
|
[MN]E:1001 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7801 |
10.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
73 |
112 |
|
[MN]I:1011 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32375 |
9.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
113 |
|
[MN]J:1004 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32228 |
6.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
8.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
74 |
114 |
|
[K]J:1051 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
7801 |
9.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.036 |
115 |
|
[K]I:1052 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6498 |
8.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
8.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.036 |
75 |
116 |
|
[MN]J:1010 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32228 |
8.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
117 |
|
[MN]J:1008 |
1 |
1 |
123 |
◊ |
[MN]I:1016 |
x,y,z |
1_555 |
1 |
1 |
123 |
7.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.001 |
77 |
118 |
|
[MN]J:1012 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32228 |
6.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.001 |
119 |
|
[MN]I:1006 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32375 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
78 |
120 |
|
[MN]I:1021 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32375 |
6.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
121 |
|
[MN]J:1026 |
1 |
1 |
123 |
f |
[MN]J:1010 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
80 |
122 |
|
C |
1 |
1 |
8574 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6498 |
6.2 |
0.3 |
0.795 |
0 |
0 |
0 |
0.000 |
81 |
123 |
|
I |
1 |
1 |
32228 |
x |
I |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
32228 |
5.8 |
-0.4 |
0.195 |
0 |
0 |
0 |
0.000 |
82 |
124 |
|
[MN]I:1023 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32375 |
5.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
125 |
|
I |
1 |
1 |
32228 |
x |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32228 |
5.1 |
-0.5 |
0.178 |
0 |
0 |
0 |
0.000 |
84 |
126 |
|
J |
1 |
1 |
32375 |
◊ |
[MN]J:1009 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
123 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
127 |
|
J |
1 |
1 |
32375 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32228 |
1.8 |
-0.1 |
0.292 |
0 |
0 |
0 |
0.000 |
86 |
128 |
|
I |
1 |
1 |
32228 |
x |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
32228 |
0.3 |
-0.0 |
0.394 |
0 |
0 |
0 |
0.000 |
|