| ## |
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 |
|
S |
143 |
39 |
10030 |
◊ |
N |
x,y,z |
1_555 |
133 |
36 |
10126 |
1347.6 |
-13.9 |
0.248 |
10 |
3 |
0 |
0.535 |
2 |
|
K |
145 |
40 |
10090 |
◊ |
I |
x,y,z |
1_555 |
133 |
37 |
10118 |
1344.5 |
-14.3 |
0.215 |
11 |
3 |
0 |
0.535 |
3 |
|
N |
139 |
38 |
10126 |
◊ |
M |
x,y,z |
1_555 |
135 |
36 |
9957 |
1286.5 |
-12.1 |
0.287 |
11 |
3 |
0 |
0.535 |
4 |
|
D |
145 |
38 |
10107 |
◊ |
C |
x,y,z |
1_555 |
129 |
34 |
9892 |
1280.5 |
-11.7 |
0.301 |
10 |
3 |
0 |
0.535 |
5 |
|
E |
148 |
37 |
10000 |
◊ |
D |
x,y,z |
1_555 |
129 |
34 |
10107 |
1272.0 |
-13.8 |
0.219 |
9 |
3 |
0 |
0.535 |
6 |
|
T |
126 |
35 |
9946 |
◊ |
I |
x,y,z |
1_555 |
141 |
38 |
10118 |
1271.5 |
-12.5 |
0.248 |
9 |
3 |
0 |
0.535 |
7 |
|
G |
140 |
38 |
10009 |
◊ |
F |
x,y,z |
1_555 |
126 |
34 |
9937 |
1264.4 |
-13.5 |
0.214 |
11 |
3 |
0 |
0.535 |
8 |
|
L |
141 |
38 |
10009 |
◊ |
K |
x,y,z |
1_555 |
125 |
34 |
10090 |
1262.1 |
-13.1 |
0.195 |
7 |
2 |
0 |
0.535 |
9 |
|
G |
121 |
35 |
10009 |
◊ |
A |
x,y,z |
1_555 |
139 |
41 |
10141 |
1258.5 |
-13.8 |
0.234 |
11 |
4 |
0 |
0.535 |
10 |
|
T |
141 |
38 |
9946 |
◊ |
S |
x,y,z |
1_555 |
128 |
34 |
10030 |
1257.1 |
-13.5 |
0.235 |
8 |
2 |
0 |
0.535 |
11 |
|
B |
137 |
40 |
9952 |
◊ |
A |
x,y,z |
1_555 |
129 |
36 |
10141 |
1236.9 |
-12.8 |
0.249 |
11 |
3 |
0 |
0.535 |
12 |
|
F |
136 |
37 |
9937 |
◊ |
E |
x,y,z |
1_555 |
122 |
34 |
10000 |
1211.3 |
-12.3 |
0.264 |
11 |
3 |
0 |
0.535 |
13 |
|
M |
135 |
37 |
9957 |
◊ |
L |
x,y,z |
1_555 |
124 |
34 |
10009 |
1179.7 |
-11.0 |
0.311 |
10 |
4 |
0 |
0.535 |
14 |
|
C |
135 |
37 |
9892 |
◊ |
B |
x,y,z |
1_555 |
121 |
33 |
9952 |
1173.0 |
-12.4 |
0.241 |
8 |
3 |
0 |
0.535 |
| Average: |
1260.4 |
-12.9 |
0.247 |
10 |
3 |
0 |
0.535 |
| 2 |
15 |
|
T |
84 |
23 |
9946 |
◊ |
G |
x,y,z |
1_555 |
83 |
23 |
10009 |
791.6 |
-7.4 |
0.395 |
17 |
0 |
0 |
0.345 |
16 |
|
I |
85 |
24 |
10118 |
◊ |
F |
x,y,z |
1_555 |
85 |
23 |
9937 |
790.7 |
-8.1 |
0.339 |
15 |
0 |
0 |
0.345 |
17 |
|
N |
85 |
23 |
10126 |
◊ |
B |
x,y,z |
1_555 |
87 |
23 |
9952 |
789.8 |
-7.6 |
0.374 |
17 |
0 |
0 |
0.345 |
18 |
|
M |
85 |
24 |
9957 |
◊ |
C |
x,y,z |
1_555 |
86 |
23 |
9892 |
787.3 |
-8.1 |
0.371 |
18 |
0 |
0 |
0.345 |
19 |
|
K |
84 |
23 |
10090 |
◊ |
E |
x,y,z |
1_555 |
84 |
23 |
10000 |
787.1 |
-7.6 |
0.376 |
17 |
0 |
0 |
0.345 |
20 |
|
L |
86 |
24 |
10009 |
◊ |
D |
x,y,z |
1_555 |
87 |
23 |
10107 |
778.1 |
-8.3 |
0.334 |
18 |
0 |
0 |
0.345 |
21 |
|
S |
82 |
23 |
10030 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
10141 |
777.1 |
-7.6 |
0.388 |
18 |
0 |
0 |
0.345 |
| Average: |
786.0 |
-7.8 |
0.368 |
17 |
0 |
0 |
0.345 |
| 3 |
22 |
|
H |
27 |
5 |
796 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
10141 |
282.9 |
-5.8 |
0.311 |
3 |
0 |
0 |
0.170 |
23 |
|
J |
28 |
5 |
795 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
9952 |
280.4 |
-5.3 |
0.318 |
3 |
0 |
0 |
0.170 |
24 |
|
X |
27 |
5 |
797 |
◊ |
M |
x,y,z |
1_555 |
31 |
11 |
9957 |
279.4 |
-5.4 |
0.319 |
3 |
0 |
0 |
0.170 |
25 |
|
U |
29 |
5 |
779 |
◊ |
K |
x,y,z |
1_555 |
32 |
10 |
10090 |
279.1 |
-5.4 |
0.322 |
3 |
0 |
0 |
0.170 |
26 |
|
Q |
28 |
5 |
791 |
◊ |
E |
x,y,z |
1_555 |
31 |
11 |
10000 |
275.7 |
-5.5 |
0.315 |
3 |
0 |
0 |
0.170 |
27 |
|
P |
28 |
5 |
795 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
10107 |
274.6 |
-5.3 |
0.321 |
3 |
0 |
0 |
0.170 |
28 |
|
Z |
27 |
5 |
790 |
◊ |
T |
x,y,z |
1_555 |
31 |
11 |
9946 |
274.5 |
-5.4 |
0.319 |
3 |
0 |
0 |
0.170 |
29 |
|
Y |
27 |
5 |
788 |
◊ |
S |
x,y,z |
1_555 |
31 |
11 |
10030 |
274.2 |
-5.5 |
0.318 |
3 |
0 |
0 |
0.170 |
30 |
|
V |
26 |
5 |
794 |
◊ |
L |
x,y,z |
1_555 |
30 |
11 |
10009 |
273.9 |
-5.3 |
0.300 |
3 |
0 |
0 |
0.170 |
31 |
|
R |
28 |
5 |
791 |
◊ |
F |
x,y,z |
1_555 |
33 |
11 |
9937 |
269.9 |
-5.2 |
0.352 |
3 |
0 |
0 |
0.170 |
32 |
|
O |
27 |
5 |
772 |
◊ |
C |
x,y,z |
1_555 |
29 |
10 |
9892 |
267.2 |
-5.1 |
0.336 |
3 |
0 |
0 |
0.170 |
| Average: |
275.6 |
-5.4 |
0.321 |
3 |
0 |
0 |
0.170 |
| 4 |
33 |
|
G |
34 |
12 |
10009 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
8 |
10107 |
247.7 |
-2.2 |
0.476 |
1 |
0 |
0 |
0.000 |
| 5 |
34 |
|
S |
23 |
9 |
10030 |
◊ |
K |
x-1,y,z |
1_455 |
24 |
7 |
10090 |
223.0 |
0.1 |
0.692 |
1 |
2 |
0 |
0.000 |
| 6 |
35 |
|
C |
25 |
7 |
9892 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
24 |
8 |
9957 |
219.8 |
0.3 |
0.744 |
3 |
3 |
0 |
0.000 |
36 |
|
E |
23 |
7 |
10000 |
◊ |
K |
-x,y-1/2,-z-1 |
2_544 |
21 |
7 |
10090 |
172.8 |
0.3 |
0.688 |
3 |
2 |
0 |
0.000 |
| Average: |
196.3 |
0.3 |
0.716 |
3 |
3 |
0 |
0.000 |
| 7 |
37 |
|
I |
23 |
8 |
10118 |
◊ |
L |
-x,y-1/2,-z-1 |
2_544 |
19 |
7 |
10009 |
213.6 |
2.0 |
0.835 |
7 |
4 |
0 |
0.000 |
38 |
|
D |
20 |
7 |
10107 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
23 |
8 |
9952 |
174.9 |
0.1 |
0.650 |
5 |
0 |
0 |
0.000 |
| Average: |
194.3 |
1.1 |
0.742 |
6 |
2 |
0 |
0.000 |
| 8 |
39 |
|
[MPD]T:400 |
7 |
1 |
280 |
f |
T |
x,y,z |
1_555 |
38 |
14 |
9946 |
197.9 |
-14.2 |
0.549 |
4 |
0 |
0 |
0.344 |
| 9 |
40 |
|
[MPD]B:400 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
9952 |
196.9 |
-14.2 |
0.532 |
3 |
0 |
0 |
0.673 |
41 |
|
[MPD]A:400 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
10141 |
196.6 |
-14.3 |
0.541 |
2 |
0 |
0 |
0.673 |
42 |
|
[MPD]G:400 |
7 |
1 |
281 |
f |
G |
x,y,z |
1_555 |
38 |
14 |
10009 |
196.4 |
-14.2 |
0.537 |
3 |
0 |
0 |
0.673 |
43 |
|
[MPD]C:400 |
7 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
35 |
14 |
9892 |
195.6 |
-14.2 |
0.545 |
2 |
0 |
0 |
0.673 |
44 |
|
[MPD]L:400 |
7 |
1 |
279 |
f |
L |
x,y,z |
1_555 |
36 |
14 |
10009 |
194.9 |
-14.2 |
0.566 |
3 |
0 |
0 |
0.673 |
45 |
|
[MPD]K:400 |
7 |
1 |
281 |
f |
K |
x,y,z |
1_555 |
37 |
14 |
10090 |
194.5 |
-14.2 |
0.534 |
3 |
0 |
0 |
0.673 |
46 |
|
[MPD]S:400 |
7 |
1 |
280 |
f |
S |
x,y,z |
1_555 |
38 |
15 |
10030 |
194.3 |
-14.2 |
0.546 |
3 |
0 |
0 |
0.673 |
47 |
|
[MPD]N:400 |
7 |
1 |
283 |
f |
N |
x,y,z |
1_555 |
34 |
14 |
10126 |
194.2 |
-14.3 |
0.539 |
3 |
0 |
0 |
0.673 |
48 |
|
[MPD]D:400 |
7 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
37 |
14 |
10107 |
193.2 |
-14.2 |
0.547 |
3 |
0 |
0 |
0.673 |
| Average: |
195.2 |
-14.2 |
0.543 |
3 |
0 |
0 |
0.673 |
| 10 |
49 |
|
[MPD]I:400 |
7 |
1 |
279 |
f |
I |
x,y,z |
1_555 |
35 |
14 |
10118 |
195.7 |
-14.2 |
0.523 |
4 |
0 |
0 |
0.683 |
50 |
|
[MPD]M:400 |
7 |
1 |
280 |
f |
M |
x,y,z |
1_555 |
36 |
14 |
9957 |
194.6 |
-14.2 |
0.576 |
4 |
0 |
0 |
0.683 |
51 |
|
[MPD]F:400 |
7 |
1 |
281 |
f |
F |
x,y,z |
1_555 |
36 |
15 |
9937 |
194.4 |
-14.1 |
0.600 |
4 |
0 |
0 |
0.683 |
52 |
|
[MPD]E:400 |
7 |
1 |
282 |
f |
E |
x,y,z |
1_555 |
36 |
14 |
10000 |
192.9 |
-14.2 |
0.552 |
4 |
0 |
0 |
0.683 |
| Average: |
194.4 |
-14.2 |
0.563 |
4 |
0 |
0 |
0.683 |
| 11 |
53 |
|
P |
18 |
4 |
795 |
◊ |
E |
x,y,z |
1_555 |
20 |
6 |
10000 |
136.4 |
-0.5 |
0.584 |
1 |
0 |
0 |
0.016 |
54 |
|
O |
18 |
4 |
772 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
10107 |
136.0 |
-0.7 |
0.583 |
0 |
0 |
0 |
0.016 |
55 |
|
V |
19 |
4 |
794 |
◊ |
M |
x,y,z |
1_555 |
21 |
8 |
9957 |
135.9 |
-0.7 |
0.572 |
0 |
0 |
0 |
0.016 |
56 |
|
R |
19 |
4 |
791 |
◊ |
G |
x,y,z |
1_555 |
20 |
7 |
10009 |
134.1 |
-0.6 |
0.572 |
0 |
0 |
0 |
0.016 |
57 |
|
X |
18 |
4 |
797 |
◊ |
N |
x,y,z |
1_555 |
21 |
7 |
10126 |
132.8 |
-0.7 |
0.566 |
0 |
0 |
0 |
0.016 |
58 |
|
Q |
19 |
4 |
791 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
9937 |
132.2 |
-0.6 |
0.559 |
0 |
0 |
0 |
0.016 |
59 |
|
H |
17 |
4 |
796 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
9952 |
131.3 |
-0.4 |
0.534 |
0 |
0 |
0 |
0.016 |
60 |
|
Y |
17 |
4 |
788 |
◊ |
T |
x,y,z |
1_555 |
18 |
6 |
9946 |
131.1 |
-0.6 |
0.544 |
0 |
0 |
0 |
0.016 |
61 |
|
U |
19 |
4 |
779 |
◊ |
L |
x,y,z |
1_555 |
20 |
7 |
10009 |
130.8 |
-0.7 |
0.552 |
1 |
0 |
0 |
0.016 |
62 |
|
Z |
18 |
4 |
790 |
◊ |
I |
x,y,z |
1_555 |
17 |
6 |
10118 |
130.8 |
-0.5 |
0.516 |
0 |
0 |
0 |
0.016 |
63 |
|
J |
18 |
3 |
795 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
9892 |
130.7 |
-0.6 |
0.563 |
0 |
0 |
0 |
0.016 |
| Average: |
132.9 |
-0.6 |
0.559 |
0 |
0 |
0 |
0.016 |
| 12 |
64 |
|
S |
11 |
3 |
10030 |
◊ |
L |
x-1,y,z |
1_455 |
16 |
5 |
10009 |
118.1 |
-0.3 |
0.559 |
0 |
2 |
0 |
0.000 |
| 13 |
65 |
|
S |
10 |
3 |
10030 |
◊ |
G |
x,y,z |
1_555 |
10 |
3 |
10009 |
108.5 |
3.0 |
0.955 |
2 |
5 |
0 |
0.000 |
66 |
|
M |
10 |
3 |
9957 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
9952 |
105.9 |
2.8 |
0.947 |
2 |
4 |
0 |
0.000 |
67 |
|
T |
10 |
3 |
9946 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
9937 |
105.3 |
2.8 |
0.950 |
3 |
4 |
0 |
0.000 |
68 |
|
K |
10 |
3 |
10090 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
10107 |
104.8 |
2.8 |
0.947 |
4 |
4 |
0 |
0.000 |
69 |
|
I |
10 |
3 |
10118 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
10000 |
104.7 |
2.9 |
0.953 |
3 |
4 |
0 |
0.000 |
70 |
|
L |
10 |
3 |
10009 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
9892 |
104.5 |
2.9 |
0.953 |
4 |
4 |
0 |
0.000 |
71 |
|
N |
10 |
3 |
10126 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10141 |
102.6 |
2.7 |
0.945 |
4 |
4 |
0 |
0.000 |
| Average: |
105.2 |
2.9 |
0.950 |
3 |
4 |
0 |
0.000 |
| 14 |
72 |
|
[SHV]O:1 |
8 |
1 |
301 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
10107 |
101.9 |
2.3 |
0.009 |
1 |
0 |
0 |
0.000 |
73 |
|
[SHV]H:1 |
8 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
9952 |
100.7 |
2.4 |
0.000 |
1 |
0 |
0 |
0.000 |
74 |
|
[SHV]Y:1 |
8 |
1 |
302 |
◊ |
T |
x,y,z |
1_555 |
14 |
5 |
9946 |
98.0 |
2.3 |
0.003 |
1 |
0 |
0 |
0.000 |
75 |
|
[SHV]Z:1 |
8 |
1 |
300 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
10118 |
96.6 |
2.2 |
0.003 |
1 |
0 |
0 |
0.000 |
| Average: |
99.3 |
2.3 |
0.004 |
1 |
0 |
0 |
0.000 |
| 15 |
76 |
|
[SHV]R:1 |
7 |
1 |
302 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
10009 |
101.1 |
2.3 |
0.020 |
1 |
0 |
0 |
0.000 |
77 |
|
[SHV]X:1 |
8 |
1 |
302 |
◊ |
N |
x,y,z |
1_555 |
15 |
5 |
10126 |
101.0 |
2.2 |
0.007 |
1 |
0 |
0 |
0.000 |
78 |
|
[SHV]V:1 |
8 |
1 |
303 |
◊ |
M |
x,y,z |
1_555 |
15 |
5 |
9957 |
99.4 |
2.2 |
0.004 |
1 |
0 |
0 |
0.000 |
| Average: |
100.5 |
2.2 |
0.010 |
1 |
0 |
0 |
0.000 |
| 16 |
79 |
|
[SHV]Q:1 |
8 |
1 |
302 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
9937 |
100.5 |
2.1 |
0.003 |
1 |
0 |
0 |
0.000 |
80 |
|
[SHV]J:1 |
8 |
1 |
302 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
9892 |
99.5 |
2.2 |
0.003 |
1 |
0 |
0 |
0.000 |
81 |
|
[SHV]P:1 |
8 |
1 |
298 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
10000 |
93.3 |
2.2 |
0.000 |
1 |
0 |
0 |
0.000 |
| Average: |
97.7 |
2.2 |
0.002 |
1 |
0 |
0 |
0.000 |
| 17 |
82 |
|
[SHV]U:1 |
8 |
1 |
301 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
10009 |
99.6 |
2.3 |
0.000 |
1 |
0 |
0 |
0.000 |
| 18 |
83 |
|
[SHV]R:1 |
6 |
1 |
302 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
9937 |
94.8 |
3.4 |
0.159 |
0 |
0 |
0 |
0.000 |
84 |
|
[SHV]V:1 |
6 |
1 |
303 |
◊ |
L |
x,y,z |
1_555 |
14 |
5 |
10009 |
90.8 |
3.3 |
0.133 |
0 |
0 |
0 |
0.000 |
| Average: |
92.8 |
3.4 |
0.146 |
0 |
0 |
0 |
0.000 |
| 19 |
85 |
|
[SHV]J:1 |
6 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
9952 |
93.5 |
3.4 |
0.127 |
0 |
0 |
0 |
0.000 |
86 |
|
[SHV]Q:1 |
6 |
1 |
302 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
10000 |
90.9 |
3.3 |
0.158 |
0 |
0 |
0 |
0.000 |
87 |
|
[SHV]P:1 |
7 |
1 |
298 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
10107 |
89.3 |
3.3 |
0.006 |
0 |
0 |
0 |
0.000 |
| Average: |
91.2 |
3.3 |
0.097 |
0 |
0 |
0 |
0.000 |
| 20 |
88 |
|
[SHV]Z:1 |
7 |
1 |
300 |
◊ |
T |
x,y,z |
1_555 |
14 |
5 |
9946 |
93.5 |
3.5 |
0.050 |
0 |
0 |
0 |
0.000 |
89 |
|
[SHV]Y:1 |
6 |
1 |
302 |
◊ |
S |
x,y,z |
1_555 |
13 |
5 |
10030 |
93.1 |
3.4 |
0.161 |
0 |
0 |
0 |
0.000 |
90 |
|
[SHV]H:1 |
6 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
10141 |
91.1 |
3.3 |
0.025 |
0 |
0 |
0 |
0.000 |
91 |
|
[SHV]O:1 |
6 |
1 |
301 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
9892 |
90.9 |
3.2 |
0.157 |
0 |
0 |
0 |
0.000 |
| Average: |
92.2 |
3.4 |
0.098 |
0 |
0 |
0 |
0.000 |
| 21 |
92 |
|
[SHV]X:1 |
6 |
1 |
302 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
9957 |
92.8 |
3.3 |
0.173 |
0 |
0 |
0 |
0.000 |
| 22 |
93 |
|
G |
14 |
5 |
10009 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
4 |
9892 |
92.2 |
0.3 |
0.708 |
1 |
1 |
0 |
0.000 |
| 23 |
94 |
|
[SHV]U:1 |
5 |
1 |
301 |
◊ |
K |
x,y,z |
1_555 |
14 |
5 |
10090 |
91.6 |
3.3 |
0.325 |
0 |
0 |
0 |
0.000 |
| 24 |
95 |
|
[SHV]U:1 |
7 |
1 |
301 |
cf |
U |
x,y,z |
1_555 |
11 |
3 |
779 |
74.7 |
2.1 |
0.916 |
1 |
0 |
0 |
0.000 |
| 25 |
96 |
|
[SHV]Q:1 |
6 |
1 |
302 |
cf |
Q |
x,y,z |
1_555 |
10 |
3 |
791 |
73.6 |
2.2 |
0.029 |
0 |
0 |
0 |
0.000 |
97 |
|
[SHV]J:1 |
6 |
1 |
302 |
cf |
J |
x,y,z |
1_555 |
11 |
3 |
795 |
70.1 |
2.1 |
0.023 |
1 |
0 |
0 |
0.000 |
| Average: |
71.9 |
2.1 |
0.026 |
1 |
0 |
0 |
0.000 |
| 26 |
98 |
|
[SHV]H:1 |
6 |
1 |
304 |
cf |
H |
x,y,z |
1_555 |
9 |
3 |
796 |
73.6 |
2.2 |
0.000 |
1 |
0 |
0 |
0.000 |
99 |
|
[SHV]Y:1 |
6 |
1 |
302 |
cf |
Y |
x,y,z |
1_555 |
11 |
3 |
788 |
71.8 |
2.2 |
0.030 |
1 |
0 |
0 |
0.000 |
100 |
|
[SHV]O:1 |
6 |
1 |
301 |
cf |
O |
x,y,z |
1_555 |
9 |
3 |
772 |
71.5 |
2.1 |
0.030 |
1 |
0 |
0 |
0.000 |
101 |
|
[SHV]Z:1 |
6 |
1 |
300 |
cf |
Z |
x,y,z |
1_555 |
11 |
4 |
790 |
69.5 |
2.0 |
0.017 |
1 |
0 |
0 |
0.000 |
| Average: |
71.6 |
2.1 |
0.019 |
1 |
0 |
0 |
0.000 |
| 27 |
102 |
|
[SHV]V:1 |
6 |
1 |
303 |
cf |
V |
x,y,z |
1_555 |
10 |
3 |
794 |
71.8 |
2.1 |
0.023 |
1 |
0 |
0 |
0.000 |
103 |
|
[SHV]P:1 |
6 |
1 |
298 |
cf |
P |
x,y,z |
1_555 |
8 |
3 |
795 |
71.7 |
2.3 |
0.000 |
1 |
0 |
0 |
0.000 |
104 |
|
[SHV]R:1 |
6 |
1 |
302 |
cf |
R |
x,y,z |
1_555 |
9 |
3 |
791 |
69.2 |
2.1 |
0.029 |
1 |
0 |
0 |
0.000 |
| Average: |
70.9 |
2.2 |
0.018 |
1 |
0 |
0 |
0.000 |
| 28 |
105 |
|
[SHV]X:1 |
6 |
1 |
302 |
cf |
X |
x,y,z |
1_555 |
10 |
3 |
797 |
68.6 |
2.1 |
0.035 |
0 |
0 |
0 |
0.000 |
| 29 |
106 |
|
S |
6 |
2 |
10030 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9952 |
30.6 |
0.7 |
0.794 |
0 |
0 |
0 |
0.000 |
107 |
|
M |
5 |
2 |
9957 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
10107 |
29.9 |
0.6 |
0.784 |
0 |
0 |
0 |
0.000 |
108 |
|
I |
6 |
2 |
10118 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
10009 |
29.9 |
0.7 |
0.791 |
0 |
0 |
0 |
0.000 |
109 |
|
K |
5 |
2 |
10090 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
9937 |
29.4 |
0.6 |
0.789 |
0 |
0 |
0 |
0.000 |
110 |
|
L |
5 |
2 |
10009 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
10000 |
28.7 |
0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
111 |
|
N |
5 |
2 |
10126 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9892 |
27.3 |
0.6 |
0.791 |
0 |
0 |
0 |
0.000 |
112 |
|
T |
5 |
2 |
9946 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10141 |
26.9 |
0.6 |
0.794 |
0 |
0 |
0 |
0.000 |
| Average: |
28.9 |
0.6 |
0.791 |
0 |
0 |
0 |
0.000 |
| 30 |
113 |
|
F |
2 |
1 |
9937 |
◊ |
Y |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
788 |
13.0 |
0.0 |
0.746 |
0 |
0 |
0 |
0.000 |
| 31 |
114 |
|
E |
2 |
1 |
10000 |
◊ |
I |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
10118 |
12.8 |
0.6 |
0.858 |
0 |
0 |
0 |
0.000 |
| 32 |
115 |
|
C |
2 |
1 |
9892 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9952 |
6.9 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
| 33 |
116 |
|
F |
2 |
2 |
9937 |
◊ |
T |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
9946 |
1.3 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
|