## |
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 |
141 |
38 |
6365 |
◊ |
I |
x,y,z |
1_555 |
145 |
37 |
6734 |
1403.3 |
-35.6 |
0.074 |
7 |
0 |
0 |
0.443 |
2 |
|
H |
143 |
36 |
6653 |
◊ |
G |
x,y,z |
1_555 |
141 |
35 |
6214 |
1400.7 |
-37.1 |
0.054 |
7 |
0 |
0 |
0.443 |
3 |
|
D |
139 |
35 |
6120 |
◊ |
C |
x,y,z |
1_555 |
135 |
34 |
6297 |
1395.7 |
-35.7 |
0.126 |
9 |
0 |
0 |
0.443 |
4 |
|
F |
137 |
35 |
6168 |
◊ |
E |
x,y,z |
1_555 |
139 |
35 |
6635 |
1391.5 |
-35.9 |
0.056 |
7 |
0 |
0 |
0.443 |
5 |
|
B |
140 |
35 |
6470 |
◊ |
A |
x,y,z |
1_555 |
133 |
35 |
6386 |
1387.4 |
-36.0 |
0.058 |
7 |
0 |
0 |
0.443 |
Average: |
1395.7 |
-36.1 |
0.073 |
7 |
0 |
0 |
0.443 |
2 |
6 |
|
I |
39 |
9 |
6734 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
40 |
12 |
6470 |
321.1 |
0.4 |
0.897 |
3 |
3 |
0 |
0.000 |
7 |
|
H |
32 |
8 |
6653 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
29 |
9 |
6168 |
223.9 |
-1.7 |
0.754 |
1 |
1 |
0 |
0.000 |
Average: |
272.5 |
-0.7 |
0.825 |
2 |
2 |
0 |
0.000 |
3 |
8 |
|
H |
30 |
9 |
6653 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
33 |
8 |
6635 |
304.1 |
1.0 |
0.910 |
1 |
0 |
0 |
0.000 |
9 |
|
I |
21 |
7 |
6734 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
6 |
6386 |
190.7 |
0.4 |
0.863 |
1 |
0 |
0 |
0.000 |
Average: |
247.4 |
0.7 |
0.886 |
1 |
0 |
0 |
0.000 |
4 |
10 |
|
[P77]I:204 |
22 |
1 |
566 |
f |
I |
x,y,z |
1_555 |
31 |
10 |
6734 |
248.3 |
-4.9 |
0.366 |
0 |
0 |
0 |
0.046 |
5 |
11 |
|
[P77]B:204 |
22 |
1 |
578 |
f |
B |
x,y,z |
1_555 |
29 |
7 |
6470 |
240.1 |
-7.6 |
0.341 |
0 |
0 |
0 |
0.071 |
6 |
12 |
|
J |
31 |
8 |
6365 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
6 |
6470 |
235.2 |
0.4 |
0.907 |
4 |
3 |
0 |
0.000 |
13 |
|
G |
21 |
7 |
6214 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
22 |
7 |
6168 |
196.2 |
-0.6 |
0.803 |
3 |
0 |
0 |
0.000 |
Average: |
215.7 |
-0.1 |
0.855 |
4 |
2 |
0 |
0.000 |
7 |
14 |
|
[P77]F:203 |
17 |
1 |
568 |
f |
D |
x,y,z |
1_555 |
23 |
7 |
6120 |
185.7 |
-4.7 |
0.381 |
0 |
0 |
0 |
0.112 |
15 |
|
[P77]B:203 |
20 |
1 |
577 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
6297 |
184.7 |
-5.3 |
0.356 |
0 |
0 |
0 |
0.112 |
16 |
|
[P77]J:203 |
19 |
1 |
578 |
f |
H |
x,y,z |
1_555 |
24 |
7 |
6653 |
183.5 |
-5.3 |
0.312 |
0 |
0 |
0 |
0.112 |
17 |
|
[P77]C:203 |
20 |
1 |
563 |
f |
E |
x,y,z |
1_555 |
26 |
7 |
6635 |
182.8 |
-5.4 |
0.370 |
0 |
0 |
0 |
0.112 |
18 |
|
[P77]H:203 |
19 |
1 |
567 |
f |
F |
x,y,z |
1_555 |
24 |
7 |
6168 |
182.4 |
-4.5 |
0.354 |
0 |
0 |
0 |
0.112 |
19 |
|
[P77]E:203 |
18 |
1 |
572 |
f |
G |
x,y,z |
1_555 |
25 |
7 |
6214 |
181.9 |
-5.5 |
0.359 |
0 |
0 |
0 |
0.112 |
20 |
|
[P77]D:203 |
18 |
1 |
567 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
6386 |
172.2 |
-4.6 |
0.360 |
0 |
0 |
0 |
0.112 |
21 |
|
[P77]A:203 |
18 |
1 |
569 |
f |
J |
x,y,z |
1_555 |
25 |
7 |
6365 |
168.7 |
-5.0 |
0.357 |
0 |
0 |
0 |
0.112 |
22 |
|
[P77]G:203 |
18 |
1 |
569 |
f |
I |
x,y,z |
1_555 |
23 |
7 |
6734 |
165.6 |
-4.6 |
0.316 |
0 |
0 |
0 |
0.112 |
23 |
|
[P77]I:203 |
18 |
1 |
567 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
6470 |
163.1 |
-4.6 |
0.297 |
0 |
0 |
0 |
0.112 |
Average: |
177.1 |
-5.0 |
0.346 |
0 |
0 |
0 |
0.112 |
8 |
24 |
|
[P77]I:204 |
17 |
1 |
566 |
◊ |
H |
x,y,z |
1_555 |
15 |
4 |
6653 |
138.2 |
-2.4 |
0.468 |
0 |
0 |
0 |
0.003 |
9 |
25 |
|
[P77]E:203 |
16 |
1 |
572 |
◊ |
H |
x,y,z |
1_555 |
21 |
6 |
6653 |
137.7 |
-1.5 |
0.602 |
0 |
0 |
0 |
0.019 |
26 |
|
[P77]C:203 |
16 |
1 |
563 |
◊ |
F |
x,y,z |
1_555 |
21 |
6 |
6168 |
135.8 |
-0.4 |
0.670 |
0 |
0 |
0 |
0.019 |
27 |
|
[P77]H:203 |
15 |
1 |
567 |
◊ |
E |
x,y,z |
1_555 |
20 |
5 |
6635 |
129.1 |
-0.2 |
0.674 |
0 |
0 |
0 |
0.019 |
28 |
|
[P77]J:203 |
14 |
1 |
578 |
◊ |
G |
x,y,z |
1_555 |
20 |
5 |
6214 |
125.3 |
-0.2 |
0.708 |
0 |
0 |
0 |
0.019 |
29 |
|
[P77]B:203 |
13 |
1 |
577 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
6120 |
125.3 |
-0.9 |
0.675 |
0 |
0 |
0 |
0.019 |
30 |
|
[P77]A:203 |
15 |
1 |
569 |
◊ |
I |
x,y,z |
1_555 |
21 |
6 |
6734 |
123.6 |
-0.6 |
0.661 |
0 |
0 |
0 |
0.019 |
31 |
|
[P77]F:203 |
15 |
1 |
568 |
◊ |
C |
x,y,z |
1_555 |
20 |
5 |
6297 |
123.1 |
-0.8 |
0.712 |
0 |
0 |
0 |
0.019 |
32 |
|
[P77]I:203 |
15 |
1 |
567 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
6386 |
122.4 |
-0.3 |
0.701 |
0 |
0 |
0 |
0.019 |
33 |
|
[P77]D:203 |
13 |
1 |
567 |
◊ |
B |
x,y,z |
1_555 |
20 |
5 |
6470 |
119.8 |
-0.3 |
0.656 |
0 |
0 |
0 |
0.019 |
34 |
|
[P77]G:203 |
13 |
1 |
569 |
◊ |
J |
x,y,z |
1_555 |
19 |
5 |
6365 |
119.1 |
-0.2 |
0.700 |
0 |
0 |
0 |
0.019 |
Average: |
126.1 |
-0.5 |
0.676 |
0 |
0 |
0 |
0.019 |
10 |
35 |
|
[P77]B:204 |
20 |
1 |
578 |
◊ |
J |
x,y,z |
1_555 |
15 |
5 |
6365 |
137.5 |
-0.6 |
0.455 |
0 |
0 |
0 |
0.000 |
11 |
36 |
|
I |
11 |
2 |
6734 |
◊ |
G |
x,y,z |
1_555 |
19 |
7 |
6214 |
134.0 |
4.1 |
0.976 |
2 |
0 |
0 |
0.000 |
37 |
|
J |
12 |
5 |
6365 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
6653 |
80.3 |
0.2 |
0.812 |
2 |
0 |
0 |
0.000 |
38 |
|
D |
10 |
5 |
6120 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6386 |
55.6 |
1.3 |
0.897 |
0 |
0 |
0 |
0.000 |
39 |
|
E |
2 |
2 |
6635 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
6297 |
15.9 |
0.2 |
0.793 |
0 |
0 |
0 |
0.000 |
Average: |
71.5 |
1.5 |
0.870 |
1 |
0 |
0 |
0.000 |
12 |
40 |
|
I |
14 |
6 |
6734 |
◊ |
J |
x-1,y,z |
1_455 |
15 |
6 |
6365 |
113.6 |
-0.2 |
0.792 |
0 |
0 |
0 |
0.000 |
41 |
|
G |
9 |
4 |
6214 |
◊ |
H |
x-1,y,z |
1_455 |
10 |
5 |
6653 |
74.0 |
0.4 |
0.802 |
1 |
1 |
0 |
0.000 |
Average: |
93.8 |
0.1 |
0.797 |
1 |
1 |
0 |
0.000 |
13 |
42 |
|
J |
14 |
6 |
6365 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
6470 |
107.9 |
-2.3 |
0.477 |
0 |
0 |
0 |
0.003 |
43 |
|
C |
13 |
6 |
6297 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
6386 |
103.1 |
-2.1 |
0.521 |
0 |
0 |
0 |
0.003 |
44 |
|
I |
12 |
5 |
6734 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
6653 |
96.8 |
-2.2 |
0.432 |
0 |
0 |
0 |
0.003 |
45 |
|
G |
11 |
4 |
6214 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
6168 |
93.8 |
-2.0 |
0.458 |
0 |
0 |
0 |
0.003 |
46 |
|
E |
12 |
4 |
6635 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
6120 |
90.7 |
-1.9 |
0.532 |
0 |
0 |
0 |
0.003 |
Average: |
98.5 |
-2.1 |
0.484 |
0 |
0 |
0 |
0.003 |
14 |
47 |
|
[P77]F:203 |
13 |
1 |
568 |
◊ |
[P77]C:203 |
x,y,z |
1_555 |
14 |
1 |
563 |
107.2 |
1.0 |
0.677 |
0 |
0 |
0 |
0.000 |
48 |
|
[P77]D:203 |
14 |
1 |
567 |
◊ |
[P77]B:203 |
x,y,z |
1_555 |
12 |
1 |
577 |
106.6 |
0.5 |
0.636 |
0 |
0 |
0 |
0.000 |
49 |
|
[P77]H:203 |
14 |
1 |
567 |
◊ |
[P77]E:203 |
x,y,z |
1_555 |
14 |
1 |
572 |
104.9 |
0.4 |
0.636 |
0 |
0 |
0 |
0.000 |
50 |
|
[P77]J:203 |
13 |
1 |
578 |
◊ |
[P77]G:203 |
x,y,z |
1_555 |
13 |
1 |
569 |
104.6 |
0.8 |
0.675 |
0 |
0 |
0 |
0.000 |
51 |
|
[P77]I:203 |
14 |
1 |
567 |
◊ |
[P77]A:203 |
x,y,z |
1_555 |
13 |
1 |
569 |
94.6 |
0.6 |
0.647 |
0 |
0 |
0 |
0.000 |
Average: |
103.6 |
0.7 |
0.654 |
0 |
0 |
0 |
0.000 |
15 |
52 |
|
[DIO]A:102 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
6386 |
97.7 |
1.5 |
0.077 |
0 |
0 |
0 |
0.000 |
16 |
53 |
|
[DIO]J:1 |
6 |
1 |
218 |
f |
J |
x,y,z |
1_555 |
14 |
4 |
6365 |
94.1 |
1.7 |
0.084 |
0 |
0 |
0 |
0.000 |
17 |
54 |
|
[P77]H:203 |
7 |
1 |
567 |
◊ |
G |
x,y,z |
1_555 |
10 |
2 |
6214 |
78.9 |
-2.5 |
0.352 |
0 |
0 |
0 |
0.006 |
55 |
|
[P77]B:203 |
6 |
1 |
577 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
6386 |
78.0 |
-2.0 |
0.372 |
0 |
0 |
0 |
0.006 |
56 |
|
[P77]E:203 |
7 |
1 |
572 |
◊ |
F |
x,y,z |
1_555 |
9 |
2 |
6168 |
76.1 |
-2.0 |
0.346 |
0 |
0 |
0 |
0.006 |
57 |
|
[P77]J:203 |
7 |
1 |
578 |
◊ |
I |
x,y,z |
1_555 |
10 |
2 |
6734 |
75.7 |
-2.4 |
0.361 |
0 |
0 |
0 |
0.006 |
58 |
|
[P77]F:203 |
8 |
1 |
568 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
6635 |
75.4 |
-2.7 |
0.367 |
0 |
0 |
0 |
0.006 |
59 |
|
[P77]C:203 |
7 |
1 |
563 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
6120 |
74.7 |
-2.3 |
0.359 |
0 |
0 |
0 |
0.006 |
60 |
|
[P77]D:203 |
8 |
1 |
567 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
6297 |
72.5 |
-2.2 |
0.365 |
0 |
0 |
0 |
0.006 |
61 |
|
[P77]I:203 |
7 |
1 |
567 |
◊ |
J |
x,y,z |
1_555 |
10 |
2 |
6365 |
69.0 |
-1.9 |
0.382 |
0 |
0 |
0 |
0.006 |
62 |
|
[P77]G:203 |
6 |
1 |
569 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
6653 |
66.7 |
-2.1 |
0.331 |
0 |
0 |
0 |
0.006 |
63 |
|
[P77]A:203 |
7 |
1 |
569 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
6470 |
65.4 |
-1.8 |
0.380 |
0 |
0 |
0 |
0.006 |
Average: |
73.2 |
-2.2 |
0.362 |
0 |
0 |
0 |
0.006 |
18 |
64 |
|
[P77]B:204 |
9 |
1 |
578 |
f |
[P77]I:203 |
x,y,z |
1_555 |
8 |
1 |
567 |
67.9 |
-2.0 |
0.430 |
0 |
0 |
0 |
0.019 |
19 |
65 |
|
[P77]I:204 |
7 |
1 |
566 |
f |
[P77]G:203 |
x,y,z |
1_555 |
8 |
1 |
569 |
66.8 |
-2.7 |
0.385 |
0 |
0 |
0 |
0.025 |
20 |
66 |
|
[P77]E:203 |
6 |
1 |
572 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
6635 |
61.4 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
67 |
|
[P77]F:203 |
6 |
1 |
568 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
6168 |
60.0 |
-0.2 |
0.636 |
0 |
0 |
0 |
0.000 |
68 |
|
[P77]J:203 |
6 |
1 |
578 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
6365 |
58.6 |
-0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
69 |
|
[P77]B:203 |
6 |
1 |
577 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6470 |
58.2 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
70 |
|
[P77]I:203 |
6 |
1 |
567 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
6734 |
57.5 |
-0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
71 |
|
[P77]A:203 |
6 |
1 |
569 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6386 |
56.5 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
72 |
|
[P77]H:203 |
6 |
1 |
567 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
6653 |
55.8 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
73 |
|
[P77]C:203 |
6 |
1 |
563 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6297 |
55.7 |
-0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
74 |
|
[P77]D:203 |
5 |
1 |
567 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6120 |
54.7 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
75 |
|
[P77]G:203 |
6 |
1 |
569 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
6214 |
52.1 |
0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
Average: |
57.1 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
21 |
76 |
|
C |
8 |
3 |
6297 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
6120 |
56.7 |
0.2 |
0.814 |
1 |
0 |
0 |
0.000 |
22 |
77 |
|
E |
5 |
2 |
6635 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
4 |
6120 |
53.9 |
1.0 |
0.878 |
0 |
0 |
0 |
0.000 |
78 |
|
C |
2 |
2 |
6297 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
6386 |
22.3 |
1.0 |
0.945 |
1 |
1 |
0 |
0.000 |
Average: |
38.1 |
1.0 |
0.912 |
1 |
1 |
0 |
0.000 |
23 |
79 |
|
[DIO]A:102 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6297 |
52.0 |
1.0 |
0.033 |
0 |
0 |
0 |
0.000 |
24 |
80 |
|
[DIO]J:1 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6470 |
48.9 |
0.8 |
0.020 |
0 |
0 |
0 |
0.000 |
25 |
81 |
|
[CA]E:202 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
6635 |
47.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.282 |
82 |
|
[CA]G:202 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
6214 |
46.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.282 |
83 |
|
[CA]D:202 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
6120 |
45.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.282 |
84 |
|
[CA]H:202 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
6653 |
44.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.282 |
85 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6386 |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.282 |
86 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
6297 |
43.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.282 |
87 |
|
[CA]J:202 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
6 |
4 |
6365 |
43.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.282 |
88 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
6470 |
43.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.282 |
89 |
|
[CA]F:202 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
6168 |
43.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.282 |
90 |
|
[CA]I:202 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
5 |
4 |
6734 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.282 |
Average: |
44.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.282 |
26 |
91 |
|
[CA]E:201 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
6635 |
46.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.126 |
27 |
92 |
|
[CA]G:201 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
8 |
6 |
6214 |
44.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.247 |
93 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
6120 |
44.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.247 |
94 |
|
[CA]I:201 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
6 |
5 |
6734 |
44.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.247 |
95 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
6470 |
43.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.247 |
96 |
|
[CA]F:201 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
6168 |
43.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.247 |
97 |
|
[CA]H:201 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
3 |
3 |
6653 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.247 |
98 |
|
[CA]A:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
6386 |
43.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.247 |
99 |
|
[CA]J:201 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
4 |
4 |
6365 |
43.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.247 |
Average: |
43.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.247 |
28 |
100 |
|
[DIO]A:102 |
4 |
1 |
218 |
f |
[P77]D:203 |
x,y,z |
1_555 |
8 |
1 |
567 |
41.6 |
0.7 |
0.073 |
0 |
0 |
0 |
0.000 |
29 |
101 |
|
[DIO]J:1 |
3 |
1 |
218 |
f |
[P77]A:203 |
x,y,z |
1_555 |
7 |
1 |
569 |
38.1 |
0.2 |
0.118 |
0 |
0 |
0 |
0.000 |
30 |
102 |
|
[P77]B:204 |
2 |
1 |
578 |
◊ |
[DIO]J:1 |
x,y,z |
1_555 |
2 |
1 |
218 |
24.1 |
1.6 |
0.292 |
0 |
0 |
0 |
0.000 |
31 |
103 |
|
[P77]B:204 |
4 |
1 |
578 |
◊ |
[P77]A:203 |
x,y,z |
1_555 |
3 |
1 |
569 |
22.7 |
0.9 |
0.647 |
0 |
0 |
0 |
0.000 |
32 |
104 |
|
E |
2 |
1 |
6635 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
6168 |
13.0 |
0.4 |
0.867 |
0 |
0 |
0 |
0.000 |
33 |
105 |
|
B |
1 |
1 |
6470 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
6386 |
12.8 |
0.4 |
0.886 |
0 |
0 |
0 |
0.000 |
34 |
106 |
|
[P77]I:204 |
1 |
1 |
566 |
◊ |
[P77]J:203 |
x,y,z |
1_555 |
3 |
1 |
578 |
10.7 |
-1.1 |
0.253 |
0 |
0 |
0 |
0.001 |
35 |
107 |
|
G |
5 |
3 |
6214 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
2 |
2 |
6635 |
9.2 |
0.4 |
0.831 |
0 |
0 |
0 |
0.000 |
36 |
108 |
|
D |
2 |
1 |
6120 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6470 |
8.8 |
0.6 |
0.896 |
0 |
0 |
0 |
0.000 |
37 |
109 |
|
G |
1 |
1 |
6214 |
◊ |
[CA]F:202 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
85 |
1.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
110 |
|
J |
1 |
1 |
6365 |
◊ |
[CA]B:202 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
85 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
111 |
|
[P77]I:204 |
1 |
1 |
566 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
6214 |
1.0 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
39 |
112 |
|
H |
1 |
1 |
6653 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
6120 |
0.7 |
0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
|