## |
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 |
|
I |
173 |
48 |
9967 |
◊ |
H |
x,y,z |
1_555 |
158 |
42 |
13822 |
1587.4 |
-14.7 |
0.230 |
27 |
18 |
0 |
0.822 |
2 |
|
W |
172 |
49 |
9963 |
◊ |
V |
x,y,z |
1_555 |
157 |
41 |
13810 |
1581.0 |
-14.5 |
0.233 |
28 |
18 |
0 |
0.822 |
Average: |
1584.2 |
-14.6 |
0.232 |
28 |
18 |
0 |
0.822 |
2 |
3 |
|
C |
147 |
35 |
12935 |
◊ |
B |
x,y,z |
1_555 |
178 |
42 |
12830 |
1551.4 |
-10.5 |
0.241 |
20 |
3 |
0 |
0.507 |
4 |
|
Q |
148 |
34 |
12941 |
◊ |
P |
x,y,z |
1_555 |
175 |
42 |
12808 |
1514.6 |
-10.3 |
0.246 |
21 |
3 |
0 |
0.507 |
Average: |
1533.0 |
-10.4 |
0.244 |
21 |
3 |
0 |
0.507 |
3 |
5 |
|
Z |
154 |
37 |
12085 |
◊ |
H |
x,y,z |
1_555 |
139 |
35 |
13822 |
1434.0 |
-6.7 |
0.467 |
20 |
4 |
0 |
0.629 |
6 |
|
L |
158 |
38 |
12069 |
◊ |
V |
x,y,z |
1_555 |
139 |
35 |
13810 |
1432.6 |
-7.2 |
0.444 |
19 |
4 |
0 |
0.629 |
Average: |
1433.3 |
-7.0 |
0.456 |
20 |
4 |
0 |
0.629 |
4 |
7 |
|
U |
156 |
40 |
12878 |
◊ |
O |
x,y,z |
1_555 |
140 |
38 |
13408 |
1413.7 |
-17.4 |
0.081 |
13 |
2 |
0 |
0.513 |
8 |
|
G |
156 |
41 |
12865 |
◊ |
A |
x,y,z |
1_555 |
139 |
38 |
13424 |
1391.1 |
-17.1 |
0.086 |
13 |
2 |
0 |
0.513 |
Average: |
1402.4 |
-17.3 |
0.083 |
13 |
2 |
0 |
0.513 |
5 |
9 |
|
G |
140 |
32 |
12865 |
◊ |
F |
x,y,z |
1_555 |
157 |
39 |
12474 |
1368.0 |
-13.3 |
0.152 |
18 |
3 |
0 |
0.514 |
10 |
|
U |
139 |
32 |
12878 |
◊ |
T |
x,y,z |
1_555 |
159 |
40 |
12491 |
1361.6 |
-13.4 |
0.150 |
18 |
4 |
0 |
0.514 |
Average: |
1364.8 |
-13.4 |
0.151 |
18 |
4 |
0 |
0.514 |
6 |
11 |
|
P |
146 |
38 |
12808 |
◊ |
O |
x,y,z |
1_555 |
159 |
42 |
13408 |
1353.5 |
-16.4 |
0.110 |
15 |
1 |
0 |
0.521 |
12 |
|
B |
147 |
38 |
12830 |
◊ |
A |
x,y,z |
1_555 |
155 |
41 |
13424 |
1347.8 |
-16.2 |
0.114 |
13 |
1 |
0 |
0.521 |
Average: |
1350.7 |
-16.3 |
0.112 |
14 |
1 |
0 |
0.521 |
7 |
13 |
|
b |
141 |
39 |
9603 |
◊ |
M |
x,y,z |
1_555 |
134 |
29 |
12686 |
1338.0 |
-9.2 |
0.294 |
26 |
3 |
0 |
1.000 |
14 |
|
N |
143 |
39 |
9617 |
◊ |
a |
x,y,z |
1_555 |
136 |
28 |
12679 |
1333.7 |
-9.3 |
0.298 |
25 |
3 |
0 |
1.000 |
Average: |
1335.9 |
-9.3 |
0.296 |
26 |
3 |
0 |
1.000 |
8 |
15 |
|
T |
147 |
34 |
12491 |
◊ |
S |
x,y,z |
1_555 |
145 |
39 |
11854 |
1332.3 |
-13.1 |
0.133 |
16 |
4 |
0 |
1.000 |
16 |
|
F |
147 |
34 |
12474 |
◊ |
E |
x,y,z |
1_555 |
144 |
39 |
11874 |
1327.5 |
-13.1 |
0.133 |
14 |
4 |
0 |
1.000 |
Average: |
1329.9 |
-13.1 |
0.133 |
15 |
4 |
0 |
1.000 |
9 |
17 |
|
D |
126 |
34 |
12292 |
◊ |
C |
x,y,z |
1_555 |
138 |
37 |
12935 |
1275.2 |
-11.8 |
0.130 |
17 |
2 |
0 |
0.548 |
18 |
|
R |
126 |
34 |
12289 |
◊ |
Q |
x,y,z |
1_555 |
136 |
36 |
12941 |
1268.4 |
-11.6 |
0.133 |
17 |
2 |
0 |
0.548 |
Average: |
1271.8 |
-11.7 |
0.132 |
17 |
2 |
0 |
0.548 |
10 |
19 |
|
S |
107 |
30 |
11854 |
◊ |
R |
x,y,z |
1_555 |
114 |
31 |
12289 |
1021.0 |
-9.9 |
0.151 |
13 |
4 |
0 |
1.000 |
20 |
|
E |
104 |
30 |
11874 |
◊ |
D |
x,y,z |
1_555 |
114 |
30 |
12292 |
1003.7 |
-9.9 |
0.150 |
13 |
4 |
0 |
1.000 |
Average: |
1012.4 |
-9.9 |
0.150 |
13 |
4 |
0 |
1.000 |
11 |
21 |
|
K |
106 |
28 |
10321 |
◊ |
W |
x,y,z |
1_555 |
102 |
24 |
9963 |
952.3 |
-2.9 |
0.582 |
19 |
5 |
0 |
0.554 |
22 |
|
Y |
105 |
28 |
10311 |
◊ |
I |
x,y,z |
1_555 |
104 |
24 |
9967 |
944.5 |
-3.1 |
0.577 |
20 |
5 |
0 |
0.554 |
Average: |
948.4 |
-3.0 |
0.579 |
20 |
5 |
0 |
0.554 |
12 |
23 |
|
a |
96 |
29 |
12679 |
◊ |
Z |
x,y,z |
1_555 |
99 |
29 |
12085 |
948.3 |
1.0 |
0.699 |
14 |
9 |
0 |
0.146 |
24 |
|
M |
95 |
28 |
12686 |
◊ |
L |
x,y,z |
1_555 |
96 |
29 |
12069 |
940.8 |
0.9 |
0.691 |
14 |
9 |
0 |
0.146 |
Average: |
944.6 |
0.9 |
0.695 |
14 |
9 |
0 |
0.146 |
13 |
25 |
|
a |
88 |
24 |
12679 |
◊ |
H |
x,y,z |
1_555 |
98 |
26 |
13822 |
903.0 |
-11.1 |
0.165 |
5 |
1 |
0 |
0.287 |
26 |
|
M |
86 |
24 |
12686 |
◊ |
V |
x,y,z |
1_555 |
100 |
26 |
13810 |
900.5 |
-10.8 |
0.171 |
5 |
1 |
0 |
0.287 |
Average: |
901.8 |
-10.9 |
0.168 |
5 |
1 |
0 |
0.287 |
14 |
27 |
|
K |
83 |
20 |
10321 |
◊ |
X |
x,y,z |
1_555 |
82 |
19 |
10209 |
725.8 |
-4.2 |
0.377 |
6 |
9 |
0 |
0.151 |
28 |
|
Y |
83 |
20 |
10311 |
◊ |
J |
x,y,z |
1_555 |
81 |
19 |
10197 |
721.4 |
-4.2 |
0.367 |
5 |
9 |
0 |
0.151 |
Average: |
723.6 |
-4.2 |
0.372 |
6 |
9 |
0 |
0.151 |
15 |
29 |
|
X |
71 |
19 |
10209 |
◊ |
J |
x,y,z |
1_555 |
71 |
19 |
10197 |
686.1 |
-2.7 |
0.443 |
14 |
2 |
0 |
0.081 |
16 |
30 |
|
Z |
70 |
20 |
12085 |
◊ |
Y |
x,y,z |
1_555 |
70 |
20 |
10311 |
669.0 |
-3.1 |
0.333 |
12 |
5 |
0 |
0.166 |
31 |
|
L |
69 |
20 |
12069 |
◊ |
K |
x,y,z |
1_555 |
72 |
20 |
10321 |
662.8 |
-3.0 |
0.352 |
12 |
5 |
0 |
0.166 |
Average: |
665.9 |
-3.0 |
0.342 |
12 |
5 |
0 |
0.166 |
17 |
32 |
|
Z |
82 |
19 |
12085 |
◊ |
I |
x,y,z |
1_555 |
85 |
20 |
9967 |
663.0 |
-4.1 |
0.378 |
6 |
6 |
0 |
0.139 |
33 |
|
L |
80 |
19 |
12069 |
◊ |
W |
x,y,z |
1_555 |
86 |
20 |
9963 |
661.4 |
-4.0 |
0.384 |
6 |
6 |
0 |
0.139 |
Average: |
662.2 |
-4.0 |
0.381 |
6 |
6 |
0 |
0.139 |
18 |
34 |
|
V |
58 |
17 |
13810 |
◊ |
O |
x,y,z |
1_555 |
73 |
19 |
13408 |
649.2 |
-3.6 |
0.489 |
11 |
3 |
0 |
0.195 |
35 |
|
H |
60 |
17 |
13822 |
◊ |
A |
x,y,z |
1_555 |
72 |
19 |
13424 |
647.2 |
-3.6 |
0.498 |
11 |
3 |
0 |
0.195 |
Average: |
648.2 |
-3.6 |
0.494 |
11 |
3 |
0 |
0.195 |
19 |
36 |
|
Y |
70 |
23 |
10311 |
◊ |
X |
x,y,z |
1_555 |
60 |
18 |
10209 |
647.3 |
-1.1 |
0.592 |
7 |
4 |
0 |
0.081 |
37 |
|
K |
72 |
23 |
10321 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10197 |
643.2 |
-1.1 |
0.585 |
6 |
4 |
0 |
0.081 |
Average: |
645.2 |
-1.1 |
0.588 |
7 |
4 |
0 |
0.081 |
20 |
38 |
|
H |
62 |
15 |
13822 |
◊ |
G |
x,y,z |
1_555 |
70 |
18 |
12865 |
642.0 |
-0.4 |
0.613 |
10 |
13 |
0 |
0.151 |
39 |
|
V |
62 |
15 |
13810 |
◊ |
U |
x,y,z |
1_555 |
69 |
18 |
12878 |
633.8 |
-0.2 |
0.619 |
11 |
12 |
0 |
0.151 |
Average: |
637.9 |
-0.3 |
0.616 |
11 |
13 |
0 |
0.151 |
21 |
40 |
|
N |
72 |
16 |
9617 |
◊ |
b |
x,y,z |
1_555 |
70 |
16 |
9603 |
632.2 |
-4.2 |
0.357 |
10 |
4 |
0 |
0.042 |
22 |
41 |
|
N |
67 |
20 |
9617 |
◊ |
M |
x,y,z |
1_555 |
65 |
20 |
12686 |
629.9 |
-1.1 |
0.572 |
9 |
4 |
0 |
0.052 |
42 |
|
b |
66 |
20 |
9603 |
◊ |
a |
x,y,z |
1_555 |
66 |
20 |
12679 |
624.5 |
-1.0 |
0.572 |
9 |
4 |
0 |
0.052 |
Average: |
627.2 |
-1.1 |
0.572 |
9 |
4 |
0 |
0.052 |
23 |
43 |
|
a |
64 |
18 |
12679 |
◊ |
S |
x,y,z |
1_555 |
58 |
14 |
11854 |
588.2 |
-2.6 |
0.439 |
6 |
2 |
0 |
0.022 |
44 |
|
M |
63 |
17 |
12686 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11874 |
576.4 |
-2.6 |
0.437 |
7 |
2 |
0 |
0.022 |
Average: |
582.3 |
-2.6 |
0.438 |
7 |
2 |
0 |
0.022 |
24 |
45 |
|
J |
57 |
20 |
10197 |
◊ |
I |
x,y,z |
1_555 |
57 |
23 |
9967 |
557.2 |
-3.5 |
0.331 |
9 |
3 |
0 |
0.143 |
46 |
|
X |
55 |
19 |
10209 |
◊ |
W |
x,y,z |
1_555 |
58 |
23 |
9963 |
553.9 |
-3.6 |
0.333 |
8 |
4 |
0 |
0.143 |
Average: |
555.5 |
-3.6 |
0.332 |
9 |
4 |
0 |
0.143 |
25 |
47 |
|
X |
58 |
15 |
10209 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
12808 |
546.1 |
0.1 |
0.626 |
10 |
4 |
0 |
0.016 |
48 |
|
J |
58 |
15 |
10197 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12830 |
539.2 |
0.2 |
0.624 |
11 |
4 |
0 |
0.016 |
Average: |
542.6 |
0.2 |
0.625 |
11 |
4 |
0 |
0.016 |
26 |
49 |
|
I |
60 |
16 |
9967 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
13424 |
530.6 |
-2.8 |
0.488 |
7 |
2 |
0 |
0.036 |
50 |
|
W |
60 |
16 |
9963 |
◊ |
O |
x,y,z |
1_555 |
46 |
13 |
13408 |
524.1 |
-2.9 |
0.481 |
7 |
2 |
0 |
0.036 |
Average: |
527.3 |
-2.9 |
0.485 |
7 |
2 |
0 |
0.036 |
27 |
51 |
|
Z |
57 |
15 |
12085 |
◊ |
R |
x,y,z |
1_555 |
56 |
13 |
12289 |
528.3 |
1.9 |
0.764 |
8 |
4 |
0 |
0.008 |
52 |
|
L |
57 |
15 |
12069 |
◊ |
D |
x,y,z |
1_555 |
54 |
13 |
12292 |
518.7 |
1.8 |
0.758 |
8 |
4 |
0 |
0.008 |
Average: |
523.5 |
1.8 |
0.761 |
8 |
4 |
0 |
0.008 |
28 |
53 |
|
N |
53 |
17 |
9617 |
◊ |
H |
x,y,z |
1_555 |
54 |
20 |
13822 |
486.2 |
-2.0 |
0.585 |
8 |
5 |
0 |
0.085 |
54 |
|
b |
52 |
17 |
9603 |
◊ |
V |
x,y,z |
1_555 |
55 |
20 |
13810 |
481.2 |
-2.0 |
0.588 |
8 |
5 |
0 |
0.085 |
Average: |
483.7 |
-2.0 |
0.587 |
8 |
5 |
0 |
0.085 |
29 |
55 |
|
b |
56 |
16 |
9603 |
◊ |
T |
x,y,z |
1_555 |
47 |
12 |
12491 |
483.5 |
-1.8 |
0.500 |
7 |
1 |
0 |
0.017 |
56 |
|
N |
56 |
16 |
9617 |
◊ |
F |
x,y,z |
1_555 |
46 |
12 |
12474 |
480.7 |
-1.8 |
0.496 |
6 |
1 |
0 |
0.017 |
Average: |
482.1 |
-1.8 |
0.498 |
7 |
1 |
0 |
0.017 |
30 |
57 |
|
W |
49 |
11 |
9963 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
12808 |
478.0 |
-2.0 |
0.439 |
5 |
1 |
0 |
0.010 |
58 |
|
I |
47 |
11 |
9967 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12830 |
475.0 |
-1.9 |
0.439 |
5 |
1 |
0 |
0.010 |
Average: |
476.5 |
-1.9 |
0.439 |
5 |
1 |
0 |
0.010 |
31 |
59 |
|
N |
53 |
13 |
9617 |
◊ |
G |
x,y,z |
1_555 |
51 |
13 |
12865 |
453.4 |
-0.9 |
0.567 |
4 |
2 |
0 |
0.027 |
60 |
|
b |
51 |
13 |
9603 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
12878 |
451.0 |
-0.8 |
0.570 |
4 |
2 |
0 |
0.027 |
Average: |
452.2 |
-0.9 |
0.569 |
4 |
2 |
0 |
0.027 |
32 |
61 |
|
a |
46 |
12 |
12679 |
◊ |
T |
x,y,z |
1_555 |
56 |
16 |
12491 |
441.3 |
0.0 |
0.685 |
8 |
7 |
0 |
0.015 |
62 |
|
M |
49 |
12 |
12686 |
◊ |
F |
x,y,z |
1_555 |
57 |
17 |
12474 |
441.0 |
0.1 |
0.689 |
8 |
6 |
0 |
0.015 |
Average: |
441.1 |
0.1 |
0.687 |
8 |
7 |
0 |
0.015 |
33 |
63 |
|
P |
42 |
14 |
12808 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
50 |
14 |
12292 |
429.1 |
-2.7 |
0.395 |
4 |
0 |
0 |
0.000 |
34 |
64 |
|
K |
39 |
10 |
10321 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
12292 |
419.3 |
-2.3 |
0.446 |
4 |
7 |
0 |
0.012 |
65 |
|
Y |
36 |
10 |
10311 |
◊ |
R |
x,y,z |
1_555 |
43 |
12 |
12289 |
415.7 |
-2.4 |
0.429 |
4 |
7 |
0 |
0.012 |
Average: |
417.5 |
-2.3 |
0.437 |
4 |
7 |
0 |
0.012 |
35 |
66 |
|
J |
40 |
9 |
10197 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12935 |
401.7 |
-2.6 |
0.289 |
6 |
4 |
0 |
0.019 |
67 |
|
X |
41 |
9 |
10209 |
◊ |
Q |
x,y,z |
1_555 |
45 |
11 |
12941 |
401.5 |
-2.7 |
0.286 |
6 |
4 |
0 |
0.019 |
Average: |
401.6 |
-2.6 |
0.288 |
6 |
4 |
0 |
0.019 |
36 |
68 |
|
L |
33 |
7 |
12069 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11874 |
351.1 |
0.0 |
0.545 |
4 |
2 |
0 |
0.008 |
69 |
|
Z |
32 |
7 |
12085 |
◊ |
S |
x,y,z |
1_555 |
47 |
12 |
11854 |
348.4 |
0.0 |
0.541 |
4 |
2 |
0 |
0.008 |
Average: |
349.8 |
0.0 |
0.543 |
4 |
2 |
0 |
0.008 |
37 |
70 |
|
K |
33 |
13 |
10321 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
12935 |
324.3 |
1.9 |
0.789 |
6 |
9 |
0 |
0.005 |
71 |
|
Y |
34 |
13 |
10311 |
◊ |
Q |
x,y,z |
1_555 |
39 |
11 |
12941 |
322.3 |
1.9 |
0.787 |
6 |
8 |
0 |
0.005 |
Average: |
323.3 |
1.9 |
0.788 |
6 |
9 |
0 |
0.005 |
38 |
72 |
|
V |
25 |
4 |
13810 |
◊ |
P |
x,y,z |
1_555 |
36 |
11 |
12808 |
278.0 |
-3.1 |
0.335 |
1 |
0 |
0 |
0.011 |
73 |
|
H |
23 |
4 |
13822 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
12830 |
276.3 |
-3.1 |
0.325 |
0 |
0 |
0 |
0.011 |
Average: |
277.1 |
-3.1 |
0.330 |
1 |
0 |
0 |
0.011 |
39 |
74 |
|
U |
37 |
12 |
12878 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
14 |
12865 |
272.4 |
1.6 |
0.746 |
2 |
0 |
0 |
0.000 |
40 |
75 |
|
U |
33 |
11 |
12878 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
14 |
13424 |
267.7 |
1.8 |
0.791 |
2 |
1 |
0 |
0.000 |
41 |
76 |
|
R |
36 |
11 |
12289 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
12830 |
230.5 |
-2.6 |
0.131 |
2 |
0 |
0 |
0.000 |
42 |
77 |
|
T |
26 |
8 |
12491 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
10 |
12474 |
183.9 |
0.8 |
0.728 |
1 |
1 |
0 |
0.000 |
43 |
78 |
|
T |
15 |
4 |
12491 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13408 |
148.8 |
-1.7 |
0.399 |
2 |
0 |
0 |
0.034 |
79 |
|
F |
14 |
4 |
12474 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13424 |
147.0 |
-1.6 |
0.399 |
2 |
0 |
0 |
0.034 |
Average: |
147.9 |
-1.7 |
0.399 |
2 |
0 |
0 |
0.034 |
44 |
80 |
|
T |
16 |
5 |
12491 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12808 |
134.7 |
0.0 |
0.632 |
1 |
0 |
0 |
0.006 |
81 |
|
F |
16 |
5 |
12474 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12830 |
133.4 |
0.0 |
0.634 |
1 |
0 |
0 |
0.006 |
Average: |
134.1 |
0.0 |
0.633 |
1 |
0 |
0 |
0.006 |
45 |
82 |
|
E |
17 |
7 |
11874 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12830 |
131.7 |
0.6 |
0.642 |
2 |
1 |
0 |
0.008 |
83 |
|
S |
16 |
6 |
11854 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
12808 |
125.9 |
0.6 |
0.646 |
2 |
1 |
0 |
0.008 |
Average: |
128.8 |
0.6 |
0.644 |
2 |
1 |
0 |
0.008 |
46 |
84 |
|
U |
15 |
3 |
12878 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12808 |
131.2 |
-2.8 |
0.146 |
1 |
0 |
0 |
0.043 |
85 |
|
G |
15 |
3 |
12865 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12830 |
124.4 |
-2.7 |
0.146 |
0 |
0 |
0 |
0.043 |
Average: |
127.8 |
-2.7 |
0.146 |
1 |
0 |
0 |
0.043 |
47 |
86 |
|
D |
13 |
4 |
12292 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
12830 |
114.1 |
0.5 |
0.692 |
1 |
2 |
0 |
0.005 |
87 |
|
R |
13 |
4 |
12289 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12808 |
113.0 |
0.7 |
0.712 |
1 |
2 |
0 |
0.005 |
Average: |
113.6 |
0.6 |
0.702 |
1 |
2 |
0 |
0.005 |
48 |
88 |
|
T |
13 |
4 |
12491 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12865 |
101.2 |
-0.0 |
0.544 |
2 |
0 |
0 |
0.000 |
49 |
89 |
|
K |
11 |
3 |
10321 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13810 |
96.4 |
-1.5 |
0.273 |
0 |
0 |
0 |
0.011 |
90 |
|
Y |
11 |
3 |
10311 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13822 |
93.4 |
-1.5 |
0.278 |
0 |
0 |
0 |
0.011 |
Average: |
94.9 |
-1.5 |
0.276 |
0 |
0 |
0 |
0.011 |
50 |
91 |
|
Q |
15 |
4 |
12941 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13408 |
87.3 |
-1.2 |
0.376 |
0 |
0 |
0 |
0.028 |
92 |
|
C |
15 |
4 |
12935 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13424 |
82.5 |
-1.1 |
0.410 |
0 |
0 |
0 |
0.028 |
Average: |
84.9 |
-1.2 |
0.393 |
0 |
0 |
0 |
0.028 |
51 |
93 |
|
T |
6 |
2 |
12491 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
11874 |
69.7 |
-0.3 |
0.477 |
1 |
0 |
0 |
0.000 |
52 |
94 |
|
a |
7 |
3 |
12679 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
12865 |
69.6 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
95 |
|
M |
8 |
3 |
12686 |
◊ |
U |
x,y,z |
1_555 |
7 |
4 |
12878 |
68.9 |
0.9 |
0.706 |
0 |
0 |
0 |
0.000 |
Average: |
69.3 |
1.0 |
0.706 |
0 |
0 |
0 |
0.000 |
53 |
96 |
|
E |
6 |
2 |
11874 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13424 |
62.5 |
-0.1 |
0.447 |
1 |
0 |
0 |
0.006 |
97 |
|
S |
6 |
2 |
11854 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13408 |
60.8 |
-0.1 |
0.460 |
1 |
0 |
0 |
0.006 |
Average: |
61.7 |
-0.1 |
0.453 |
1 |
0 |
0 |
0.006 |
54 |
98 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
10197 |
57.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.102 |
55 |
99 |
|
U |
5 |
2 |
12878 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12474 |
56.2 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
56 |
100 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
18 |
9 |
9967 |
55.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.239 |
57 |
101 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
13 |
7 |
12085 |
51.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.268 |
58 |
102 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
12865 |
50.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.186 |
59 |
103 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9617 |
49.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.231 |
60 |
104 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
10311 |
42.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.300 |
105 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10321 |
41.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.300 |
Average: |
42.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.300 |
61 |
106 |
|
[MG]N:202 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
13822 |
41.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.150 |
62 |
107 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
9 |
6 |
13810 |
41.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.247 |
63 |
108 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
5 |
3 |
9617 |
33.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.040 |
64 |
109 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
12069 |
30.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.124 |
65 |
110 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9963 |
28.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.145 |
111 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
9967 |
28.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
28.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.145 |
66 |
112 |
|
R |
3 |
1 |
12289 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13408 |
25.4 |
0.3 |
0.728 |
1 |
0 |
0 |
0.002 |
113 |
|
D |
3 |
1 |
12292 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13424 |
23.7 |
0.3 |
0.750 |
1 |
0 |
0 |
0.002 |
Average: |
24.6 |
0.3 |
0.739 |
1 |
0 |
0 |
0.002 |
67 |
114 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12679 |
23.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.092 |
68 |
115 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10311 |
18.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.058 |
69 |
116 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
13822 |
16.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.041 |
70 |
117 |
|
[MG]J:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
9967 |
13.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
71 |
118 |
|
S |
2 |
1 |
11854 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12935 |
5.8 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
|