## |
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 |
|
O |
332 |
88 |
14442 |
◊ |
N |
x,y,z |
1_555 |
364 |
97 |
20920 |
3464.1 |
-61.0 |
0.361 |
28 |
6 |
0 |
0.209 |
2 |
|
B |
333 |
86 |
14459 |
◊ |
A |
x,y,z |
1_555 |
368 |
98 |
20919 |
3455.3 |
-60.9 |
0.363 |
26 |
6 |
0 |
0.209 |
Average: |
3459.7 |
-61.0 |
0.362 |
27 |
6 |
0 |
0.209 |
2 |
3 |
|
P |
266 |
63 |
15088 |
◊ |
N |
x,y,z |
1_555 |
279 |
75 |
20920 |
2581.1 |
-54.1 |
0.320 |
15 |
6 |
0 |
0.221 |
4 |
|
C |
266 |
63 |
15089 |
◊ |
A |
x,y,z |
1_555 |
278 |
76 |
20919 |
2576.5 |
-53.6 |
0.333 |
15 |
6 |
0 |
0.221 |
Average: |
2578.8 |
-53.9 |
0.327 |
15 |
6 |
0 |
0.221 |
3 |
5 |
|
Y |
166 |
36 |
4845 |
◊ |
N |
x,y,z |
1_555 |
191 |
53 |
20920 |
1728.0 |
-31.9 |
0.567 |
10 |
2 |
0 |
0.159 |
6 |
|
L |
168 |
36 |
4825 |
◊ |
A |
x,y,z |
1_555 |
192 |
55 |
20919 |
1725.2 |
-31.6 |
0.574 |
10 |
2 |
0 |
0.159 |
Average: |
1726.6 |
-31.7 |
0.570 |
10 |
2 |
0 |
0.159 |
4 |
7 |
|
T |
173 |
45 |
7674 |
◊ |
P |
x,y,z |
1_555 |
187 |
47 |
15088 |
1689.0 |
-22.8 |
0.763 |
15 |
1 |
0 |
0.479 |
8 |
|
G |
169 |
44 |
7663 |
◊ |
C |
x,y,z |
1_555 |
187 |
48 |
15089 |
1684.5 |
-22.5 |
0.748 |
15 |
1 |
0 |
0.479 |
Average: |
1686.8 |
-22.6 |
0.756 |
15 |
1 |
0 |
0.479 |
5 |
9 |
|
I |
161 |
37 |
7443 |
◊ |
B |
x,y,z |
1_555 |
168 |
47 |
14459 |
1577.3 |
-28.0 |
0.374 |
17 |
3 |
0 |
1.000 |
10 |
|
V |
160 |
37 |
7456 |
◊ |
O |
x,y,z |
1_555 |
169 |
47 |
14442 |
1575.5 |
-28.1 |
0.382 |
16 |
3 |
0 |
1.000 |
Average: |
1576.4 |
-28.1 |
0.378 |
17 |
3 |
0 |
1.000 |
6 |
11 |
|
X |
147 |
33 |
5052 |
◊ |
Q |
x,y,z |
1_555 |
162 |
42 |
12677 |
1475.8 |
-31.3 |
0.229 |
7 |
2 |
0 |
1.000 |
12 |
|
K |
149 |
33 |
5042 |
◊ |
D |
x,y,z |
1_555 |
163 |
41 |
12655 |
1471.4 |
-31.2 |
0.233 |
7 |
2 |
0 |
1.000 |
Average: |
1473.6 |
-31.3 |
0.231 |
7 |
2 |
0 |
1.000 |
7 |
13 |
|
Q |
137 |
34 |
12677 |
◊ |
N |
x,y,z |
1_555 |
139 |
42 |
20920 |
1348.5 |
-18.0 |
0.578 |
13 |
3 |
0 |
0.109 |
14 |
|
D |
135 |
34 |
12655 |
◊ |
A |
x,y,z |
1_555 |
138 |
43 |
20919 |
1342.0 |
-18.0 |
0.569 |
13 |
3 |
0 |
0.109 |
Average: |
1345.3 |
-18.0 |
0.574 |
13 |
3 |
0 |
0.109 |
8 |
15 |
|
W |
138 |
33 |
5517 |
◊ |
P |
x,y,z |
1_555 |
137 |
36 |
15088 |
1346.1 |
-26.7 |
0.540 |
14 |
4 |
0 |
0.531 |
16 |
|
J |
138 |
33 |
5517 |
◊ |
C |
x,y,z |
1_555 |
138 |
37 |
15089 |
1341.5 |
-25.5 |
0.569 |
13 |
4 |
0 |
0.531 |
Average: |
1343.8 |
-26.1 |
0.555 |
14 |
4 |
0 |
0.531 |
9 |
17 |
|
R |
143 |
36 |
6373 |
◊ |
Q |
x,y,z |
1_555 |
145 |
34 |
12677 |
1305.0 |
-9.2 |
0.628 |
21 |
7 |
0 |
0.496 |
18 |
|
E |
145 |
36 |
6388 |
◊ |
D |
x,y,z |
1_555 |
143 |
33 |
12655 |
1304.6 |
-9.4 |
0.610 |
20 |
7 |
0 |
0.496 |
Average: |
1304.8 |
-9.3 |
0.619 |
21 |
7 |
0 |
0.496 |
10 |
19 |
|
S |
138 |
40 |
7537 |
◊ |
N |
x,y,z |
1_555 |
126 |
30 |
20920 |
1289.5 |
-16.3 |
0.469 |
16 |
0 |
0 |
0.105 |
20 |
|
F |
134 |
40 |
7544 |
◊ |
A |
x,y,z |
1_555 |
125 |
30 |
20919 |
1282.8 |
-16.4 |
0.452 |
15 |
0 |
0 |
0.105 |
Average: |
1286.1 |
-16.3 |
0.460 |
16 |
0 |
0 |
0.105 |
11 |
21 |
|
Z |
96 |
21 |
4437 |
◊ |
N |
x,y,z |
1_555 |
122 |
35 |
20920 |
1022.4 |
-15.7 |
0.774 |
14 |
2 |
0 |
0.102 |
22 |
|
M |
95 |
21 |
4434 |
◊ |
A |
x,y,z |
1_555 |
123 |
36 |
20919 |
1018.6 |
-15.8 |
0.765 |
15 |
2 |
0 |
0.102 |
Average: |
1020.5 |
-15.8 |
0.769 |
15 |
2 |
0 |
0.102 |
12 |
23 |
|
H |
103 |
23 |
5687 |
◊ |
B |
x,y,z |
1_555 |
117 |
31 |
14459 |
1004.5 |
-3.4 |
0.578 |
17 |
2 |
0 |
0.024 |
24 |
|
U |
103 |
22 |
5693 |
◊ |
O |
x,y,z |
1_555 |
115 |
31 |
14442 |
994.2 |
-3.4 |
0.583 |
17 |
1 |
0 |
0.024 |
Average: |
999.4 |
-3.4 |
0.580 |
17 |
2 |
0 |
0.024 |
13 |
25 |
|
F |
95 |
25 |
7544 |
◊ |
C |
x,y,z |
1_555 |
113 |
34 |
15089 |
970.7 |
-11.6 |
0.423 |
12 |
2 |
0 |
1.000 |
26 |
|
S |
92 |
25 |
7537 |
◊ |
P |
x,y,z |
1_555 |
111 |
34 |
15088 |
968.4 |
-11.4 |
0.412 |
12 |
2 |
0 |
1.000 |
Average: |
969.6 |
-11.5 |
0.417 |
12 |
2 |
0 |
1.000 |
14 |
27 |
|
[HEA]A:515 |
60 |
1 |
1159 |
cf |
A |
x,y,z |
1_555 |
113 |
45 |
20919 |
894.1 |
-25.9 |
0.563 |
9 |
0 |
0 |
0.134 |
28 |
|
[HEA]N:515 |
60 |
1 |
1156 |
cf |
N |
x,y,z |
1_555 |
113 |
45 |
20920 |
889.7 |
-25.9 |
0.561 |
9 |
0 |
0 |
0.134 |
Average: |
891.9 |
-25.9 |
0.562 |
9 |
0 |
0 |
0.134 |
15 |
29 |
|
D |
86 |
22 |
12655 |
◊ |
B |
x,y,z |
1_555 |
98 |
28 |
14459 |
852.8 |
-9.2 |
0.618 |
12 |
3 |
0 |
0.390 |
30 |
|
Q |
89 |
22 |
12677 |
◊ |
O |
x,y,z |
1_555 |
99 |
28 |
14442 |
844.4 |
-9.6 |
0.629 |
12 |
3 |
0 |
0.390 |
Average: |
848.6 |
-9.4 |
0.623 |
12 |
3 |
0 |
0.390 |
16 |
31 |
|
T |
72 |
16 |
7674 |
◊ |
A |
x,y,z |
1_555 |
87 |
26 |
20919 |
804.2 |
-14.3 |
0.310 |
2 |
0 |
0 |
0.052 |
32 |
|
G |
72 |
16 |
7663 |
◊ |
N |
x,y,z |
1_555 |
87 |
26 |
20920 |
796.2 |
-14.0 |
0.326 |
2 |
0 |
0 |
0.052 |
Average: |
800.2 |
-14.2 |
0.318 |
2 |
0 |
0 |
0.052 |
17 |
33 |
|
[HEA]A:516 |
60 |
1 |
1172 |
f |
A |
x,y,z |
1_555 |
108 |
36 |
20919 |
786.9 |
-23.8 |
0.536 |
6 |
0 |
0 |
0.118 |
34 |
|
[HEA]N:516 |
60 |
1 |
1169 |
f |
N |
x,y,z |
1_555 |
109 |
35 |
20920 |
783.4 |
-23.7 |
0.529 |
6 |
0 |
0 |
0.118 |
Average: |
785.1 |
-23.8 |
0.532 |
6 |
0 |
0 |
0.118 |
18 |
35 |
|
Z |
79 |
21 |
4437 |
◊ |
Y |
x,y,z |
1_555 |
72 |
16 |
4845 |
695.7 |
-14.3 |
0.654 |
4 |
1 |
0 |
0.059 |
36 |
|
M |
79 |
21 |
4434 |
◊ |
L |
x,y,z |
1_555 |
77 |
16 |
4825 |
687.6 |
-14.0 |
0.690 |
4 |
2 |
0 |
0.059 |
Average: |
691.7 |
-14.2 |
0.672 |
4 |
2 |
0 |
0.059 |
19 |
37 |
|
I |
56 |
15 |
7443 |
◊ |
E |
x,y,z |
1_555 |
70 |
19 |
6388 |
614.8 |
-3.1 |
0.661 |
13 |
7 |
0 |
0.022 |
38 |
|
V |
56 |
15 |
7456 |
◊ |
R |
x,y,z |
1_555 |
70 |
19 |
6373 |
607.0 |
-2.8 |
0.671 |
12 |
6 |
0 |
0.022 |
Average: |
610.9 |
-3.0 |
0.666 |
13 |
7 |
0 |
0.022 |
20 |
39 |
|
U |
38 |
13 |
5693 |
◊ |
H |
x,y,z |
1_555 |
39 |
13 |
5687 |
404.6 |
-4.0 |
0.275 |
2 |
0 |
0 |
0.005 |
21 |
40 |
|
V |
47 |
11 |
7456 |
◊ |
Q |
x,y,z |
1_555 |
37 |
7 |
12677 |
380.8 |
-4.7 |
0.582 |
2 |
2 |
0 |
0.013 |
41 |
|
I |
46 |
11 |
7443 |
◊ |
D |
x,y,z |
1_555 |
36 |
7 |
12655 |
377.9 |
-4.7 |
0.566 |
2 |
2 |
0 |
0.013 |
Average: |
379.3 |
-4.7 |
0.574 |
2 |
2 |
0 |
0.013 |
22 |
42 |
|
B |
40 |
13 |
14459 |
◊ |
D |
-x+1/2,-y+3,z-1/2 |
2_584 |
33 |
13 |
12655 |
357.8 |
-2.2 |
0.762 |
2 |
0 |
0 |
0.000 |
23 |
43 |
|
Z |
32 |
11 |
4437 |
◊ |
Q |
x,y,z |
1_555 |
32 |
12 |
12677 |
351.2 |
-8.2 |
0.264 |
0 |
0 |
0 |
0.036 |
44 |
|
M |
31 |
11 |
4434 |
◊ |
D |
x,y,z |
1_555 |
33 |
12 |
12655 |
350.5 |
-8.1 |
0.266 |
0 |
0 |
0 |
0.036 |
Average: |
350.8 |
-8.1 |
0.265 |
0 |
0 |
0 |
0.036 |
24 |
45 |
|
T |
35 |
10 |
7674 |
◊ |
N |
x,y,z |
1_555 |
38 |
13 |
20920 |
335.5 |
-1.7 |
0.731 |
7 |
0 |
0 |
0.015 |
46 |
|
G |
38 |
10 |
7663 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
20919 |
335.3 |
-1.7 |
0.763 |
7 |
0 |
0 |
0.015 |
Average: |
335.4 |
-1.7 |
0.747 |
7 |
0 |
0 |
0.015 |
25 |
47 |
|
X |
25 |
8 |
5052 |
◊ |
N |
x,y,z |
1_555 |
35 |
11 |
20920 |
325.1 |
-7.7 |
0.181 |
1 |
0 |
0 |
0.036 |
48 |
|
K |
27 |
8 |
5042 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
20919 |
324.5 |
-7.7 |
0.178 |
1 |
0 |
0 |
0.036 |
Average: |
324.8 |
-7.7 |
0.180 |
1 |
0 |
0 |
0.036 |
26 |
49 |
|
U |
32 |
11 |
5693 |
◊ |
P |
x,y,z |
1_555 |
28 |
8 |
15088 |
274.5 |
-2.8 |
0.565 |
3 |
1 |
0 |
0.009 |
50 |
|
H |
31 |
11 |
5687 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
15089 |
273.3 |
-2.8 |
0.567 |
3 |
1 |
0 |
0.009 |
Average: |
273.9 |
-2.8 |
0.566 |
3 |
1 |
0 |
0.009 |
27 |
51 |
|
R |
36 |
11 |
6373 |
◊ |
O |
x,y,z |
1_555 |
30 |
7 |
14442 |
274.2 |
-2.3 |
0.575 |
5 |
0 |
0 |
0.119 |
52 |
|
E |
36 |
11 |
6388 |
◊ |
B |
x,y,z |
1_555 |
30 |
7 |
14459 |
272.9 |
-2.4 |
0.561 |
5 |
0 |
0 |
0.119 |
Average: |
273.5 |
-2.4 |
0.568 |
5 |
0 |
0 |
0.119 |
28 |
53 |
|
W |
24 |
11 |
5517 |
◊ |
N |
x,y,z |
1_555 |
23 |
10 |
20920 |
249.3 |
-5.9 |
0.260 |
0 |
0 |
0 |
0.017 |
54 |
|
J |
26 |
11 |
5517 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
20919 |
246.9 |
-5.8 |
0.280 |
0 |
0 |
0 |
0.017 |
Average: |
248.1 |
-5.9 |
0.270 |
0 |
0 |
0 |
0.017 |
29 |
55 |
|
B |
23 |
6 |
14459 |
◊ |
M |
-x+1/2,-y+3,z-1/2 |
2_584 |
19 |
6 |
4434 |
207.6 |
-4.1 |
0.523 |
0 |
0 |
0 |
0.000 |
30 |
56 |
|
U |
25 |
6 |
5693 |
◊ |
T |
x,y,z |
1_555 |
22 |
5 |
7674 |
194.7 |
-2.8 |
0.412 |
1 |
2 |
0 |
0.008 |
57 |
|
H |
25 |
6 |
5687 |
◊ |
G |
x,y,z |
1_555 |
22 |
5 |
7663 |
193.0 |
-2.8 |
0.412 |
1 |
2 |
0 |
0.008 |
Average: |
193.9 |
-2.8 |
0.412 |
1 |
2 |
0 |
0.008 |
31 |
58 |
|
I |
20 |
5 |
7443 |
◊ |
V |
-x+1,y-1/2,-z+5/2 |
3_647 |
23 |
5 |
7456 |
189.9 |
-1.7 |
0.637 |
2 |
0 |
0 |
0.000 |
32 |
59 |
|
K |
22 |
7 |
5042 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
14459 |
170.8 |
-4.2 |
0.361 |
1 |
0 |
0 |
0.010 |
60 |
|
X |
22 |
7 |
5052 |
◊ |
O |
x,y,z |
1_555 |
20 |
6 |
14442 |
169.1 |
-4.1 |
0.377 |
1 |
0 |
0 |
0.010 |
Average: |
170.0 |
-4.2 |
0.369 |
1 |
0 |
0 |
0.010 |
33 |
61 |
|
S |
21 |
7 |
7537 |
◊ |
R |
x,y,z |
1_555 |
17 |
4 |
6373 |
163.5 |
0.2 |
0.575 |
1 |
1 |
0 |
0.002 |
62 |
|
F |
21 |
7 |
7544 |
◊ |
E |
x,y,z |
1_555 |
17 |
4 |
6388 |
162.9 |
0.2 |
0.579 |
1 |
1 |
0 |
0.002 |
Average: |
163.2 |
0.2 |
0.577 |
1 |
1 |
0 |
0.002 |
34 |
63 |
|
J |
12 |
4 |
5517 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
7544 |
147.9 |
0.3 |
0.731 |
3 |
0 |
0 |
0.003 |
64 |
|
W |
12 |
4 |
5517 |
◊ |
S |
x,y,z |
1_555 |
14 |
5 |
7537 |
145.5 |
0.3 |
0.739 |
3 |
0 |
0 |
0.003 |
Average: |
146.7 |
0.3 |
0.735 |
3 |
0 |
0 |
0.003 |
35 |
65 |
|
U |
13 |
3 |
5693 |
◊ |
N |
x,y,z |
1_555 |
21 |
8 |
20920 |
139.4 |
0.2 |
0.777 |
0 |
0 |
0 |
0.000 |
66 |
|
H |
14 |
3 |
5687 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
20919 |
137.9 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
Average: |
138.6 |
0.2 |
0.774 |
0 |
0 |
0 |
0.000 |
36 |
67 |
|
S |
17 |
5 |
7537 |
◊ |
Q |
x,y,z |
1_555 |
14 |
5 |
12677 |
137.2 |
-2.3 |
0.411 |
1 |
0 |
0 |
0.012 |
68 |
|
F |
17 |
5 |
7544 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
12655 |
137.0 |
-2.3 |
0.412 |
1 |
0 |
0 |
0.012 |
Average: |
137.1 |
-2.3 |
0.412 |
1 |
0 |
0 |
0.012 |
37 |
69 |
|
[HEA]A:516 |
7 |
1 |
1172 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
14459 |
130.1 |
-0.4 |
0.514 |
0 |
0 |
0 |
0.001 |
70 |
|
[HEA]N:516 |
7 |
1 |
1169 |
◊ |
O |
x,y,z |
1_555 |
15 |
7 |
14442 |
129.7 |
-0.4 |
0.513 |
0 |
0 |
0 |
0.001 |
Average: |
129.9 |
-0.4 |
0.513 |
0 |
0 |
0 |
0.001 |
38 |
71 |
|
S |
12 |
4 |
7537 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
7544 |
120.4 |
0.9 |
0.814 |
0 |
2 |
0 |
0.000 |
39 |
72 |
|
O |
13 |
5 |
14442 |
◊ |
S |
-x+3/2,-y+3,z-1/2 |
2_684 |
12 |
5 |
7537 |
114.7 |
1.0 |
0.855 |
1 |
0 |
0 |
0.000 |
40 |
73 |
|
L |
10 |
2 |
4825 |
◊ |
J |
x,y,z |
1_555 |
15 |
4 |
5517 |
106.4 |
-1.2 |
0.731 |
1 |
0 |
0 |
0.005 |
74 |
|
Y |
9 |
2 |
4845 |
◊ |
W |
x,y,z |
1_555 |
15 |
4 |
5517 |
106.2 |
-1.2 |
0.727 |
1 |
0 |
0 |
0.005 |
Average: |
106.3 |
-1.2 |
0.729 |
1 |
0 |
0 |
0.005 |
41 |
75 |
|
I |
10 |
3 |
7443 |
◊ |
L |
-x+1/2,-y+3,z-1/2 |
2_584 |
14 |
6 |
4825 |
99.0 |
3.3 |
0.965 |
1 |
2 |
0 |
0.000 |
42 |
76 |
|
Q |
12 |
4 |
12677 |
◊ |
P |
-x+3/2,-y+3,z-1/2 |
2_684 |
5 |
1 |
15088 |
98.3 |
-1.6 |
0.131 |
0 |
0 |
0 |
0.000 |
43 |
77 |
|
K |
10 |
2 |
5042 |
◊ |
F |
-x+1/2,-y+3,z-1/2 |
2_584 |
10 |
5 |
7544 |
89.5 |
0.7 |
0.848 |
1 |
0 |
0 |
0.000 |
44 |
78 |
|
I |
8 |
3 |
7443 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20919 |
87.3 |
-2.2 |
0.249 |
0 |
0 |
0 |
0.006 |
79 |
|
V |
8 |
3 |
7456 |
◊ |
N |
x,y,z |
1_555 |
8 |
2 |
20920 |
87.1 |
-2.2 |
0.282 |
0 |
0 |
0 |
0.006 |
Average: |
87.2 |
-2.2 |
0.265 |
0 |
0 |
0 |
0.006 |
45 |
80 |
|
I |
8 |
2 |
7443 |
◊ |
R |
-x+1,y-1/2,-z+5/2 |
3_647 |
11 |
4 |
6373 |
82.8 |
-0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
46 |
81 |
|
[NA]A:519 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
20919 |
63.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.056 |
82 |
|
[NA]N:519 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
9 |
7 |
20920 |
63.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
63.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.056 |
47 |
83 |
|
I |
9 |
3 |
7443 |
◊ |
D |
-x+1/2,-y+3,z-1/2 |
2_584 |
7 |
2 |
12655 |
63.4 |
0.5 |
0.769 |
1 |
1 |
0 |
0.000 |
48 |
84 |
|
O |
6 |
3 |
14442 |
◊ |
P |
-x+3/2,-y+3,z-1/2 |
2_684 |
8 |
2 |
15088 |
60.6 |
-1.2 |
0.368 |
0 |
0 |
0 |
0.000 |
49 |
85 |
|
D |
6 |
2 |
12655 |
◊ |
F |
-x+1/2,-y+3,z-1/2 |
2_584 |
10 |
4 |
7544 |
60.4 |
1.0 |
0.839 |
1 |
1 |
0 |
0.000 |
50 |
86 |
|
E |
8 |
3 |
6388 |
◊ |
V |
-x+1,y-1/2,-z+5/2 |
3_647 |
6 |
3 |
7456 |
59.9 |
-0.9 |
0.482 |
0 |
0 |
0 |
0.000 |
51 |
87 |
|
K |
8 |
3 |
5042 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
7443 |
58.8 |
-0.9 |
0.594 |
0 |
0 |
0 |
0.002 |
88 |
|
X |
7 |
3 |
5052 |
◊ |
V |
x,y,z |
1_555 |
7 |
3 |
7456 |
58.3 |
-0.9 |
0.567 |
0 |
0 |
0 |
0.002 |
Average: |
58.5 |
-0.9 |
0.581 |
0 |
0 |
0 |
0.002 |
52 |
89 |
|
G |
7 |
2 |
7663 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
14442 |
50.6 |
-1.6 |
0.275 |
0 |
0 |
0 |
0.004 |
90 |
|
T |
7 |
2 |
7674 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14459 |
50.6 |
-1.6 |
0.274 |
0 |
0 |
0 |
0.004 |
Average: |
50.6 |
-1.6 |
0.274 |
0 |
0 |
0 |
0.004 |
53 |
91 |
|
[PER]N:520 |
2 |
1 |
127 |
f |
N |
x,y,z |
1_555 |
11 |
7 |
20920 |
49.5 |
0.8 |
0.931 |
0 |
0 |
0 |
0.000 |
54 |
92 |
|
[PER]A:520 |
2 |
1 |
128 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
20919 |
49.4 |
0.7 |
0.914 |
0 |
0 |
0 |
0.000 |
55 |
93 |
|
[MG]N:518 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
6 |
5 |
20920 |
45.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.028 |
94 |
|
[MG]A:518 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
20919 |
44.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
44.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.028 |
56 |
95 |
|
G |
5 |
1 |
7663 |
◊ |
S |
x,y,z |
1_555 |
11 |
3 |
7537 |
44.9 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
96 |
|
T |
5 |
1 |
7674 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
7544 |
44.6 |
0.5 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
44.7 |
0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
57 |
97 |
|
[CU]N:517 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
8 |
5 |
20920 |
41.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.034 |
98 |
|
[CU]A:517 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
20919 |
41.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
41.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.034 |
58 |
99 |
|
[CU]O:229 |
1 |
1 |
125 |
f |
[CU]O:228 |
x,y,z |
1_555 |
1 |
1 |
125 |
40.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.036 |
59 |
100 |
|
V |
6 |
1 |
7456 |
◊ |
Y |
-x+3/2,-y+3,z-1/2 |
2_684 |
4 |
2 |
4845 |
38.8 |
-0.5 |
0.656 |
0 |
0 |
0 |
0.000 |
60 |
101 |
|
[CU]B:229 |
1 |
1 |
125 |
f |
[CU]B:228 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.034 |
61 |
102 |
|
[PER]A:520 |
2 |
1 |
128 |
f |
[HEA]A:516 |
x,y,z |
1_555 |
20 |
1 |
1172 |
36.1 |
-0.2 |
0.985 |
0 |
0 |
0 |
0.000 |
62 |
103 |
|
Q |
8 |
2 |
12677 |
◊ |
S |
-x+3/2,-y+3,z-1/2 |
2_684 |
3 |
2 |
7537 |
35.7 |
-0.3 |
0.636 |
0 |
0 |
0 |
0.000 |
63 |
104 |
|
[PER]N:520 |
2 |
1 |
127 |
f |
[HEA]N:516 |
x,y,z |
1_555 |
20 |
1 |
1169 |
35.6 |
-0.1 |
0.986 |
0 |
0 |
0 |
0.000 |
64 |
105 |
|
[HEA]N:516 |
2 |
1 |
1169 |
f |
[HEA]N:515 |
x,y,z |
1_555 |
4 |
1 |
1156 |
35.0 |
-1.8 |
0.345 |
0 |
0 |
0 |
0.008 |
106 |
|
[HEA]A:516 |
2 |
1 |
1172 |
f |
[HEA]A:515 |
x,y,z |
1_555 |
4 |
1 |
1159 |
35.0 |
-1.8 |
0.357 |
0 |
0 |
0 |
0.008 |
Average: |
35.0 |
-1.8 |
0.351 |
0 |
0 |
0 |
0.008 |
65 |
107 |
|
[MG]A:518 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
14459 |
34.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.011 |
108 |
|
[MG]N:518 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
4 |
3 |
14442 |
33.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
33.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.011 |
66 |
109 |
|
T |
5 |
2 |
7674 |
◊ |
S |
x,y,z |
1_555 |
2 |
1 |
7537 |
31.8 |
0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
110 |
|
G |
5 |
2 |
7663 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7544 |
31.7 |
0.3 |
0.786 |
0 |
0 |
0 |
0.000 |
Average: |
31.7 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
67 |
111 |
|
B |
3 |
1 |
14459 |
◊ |
F |
-x+1/2,-y+3,z-1/2 |
2_584 |
7 |
2 |
7544 |
29.6 |
-0.3 |
0.467 |
0 |
0 |
0 |
0.000 |
68 |
112 |
|
X |
3 |
1 |
5052 |
◊ |
W |
-x+3/2,-y+3,z-1/2 |
2_684 |
4 |
1 |
5517 |
29.5 |
-0.5 |
0.564 |
0 |
0 |
0 |
0.000 |
69 |
113 |
|
O |
1 |
1 |
14442 |
◊ |
Z |
-x+3/2,-y+3,z-1/2 |
2_684 |
3 |
1 |
4437 |
25.8 |
-0.2 |
0.313 |
0 |
0 |
0 |
0.000 |
70 |
114 |
|
[HEA]N:516 |
15 |
1 |
1169 |
f |
[CU]N:517 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.014 |
115 |
|
[HEA]A:516 |
14 |
1 |
1172 |
f |
[CU]A:517 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
24.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.014 |
71 |
116 |
|
X |
4 |
1 |
5052 |
◊ |
P |
-x+3/2,-y+3,z-1/2 |
2_684 |
5 |
1 |
15088 |
24.7 |
0.6 |
0.889 |
0 |
0 |
0 |
0.000 |
72 |
117 |
|
L |
2 |
1 |
4825 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15089 |
24.2 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
118 |
|
Y |
2 |
1 |
4845 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
15088 |
24.1 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
Average: |
24.1 |
-0.1 |
0.504 |
0 |
0 |
0 |
0.001 |
73 |
119 |
|
[PER]N:520 |
2 |
1 |
127 |
f |
[CU]N:517 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
74 |
120 |
|
[PER]A:520 |
2 |
1 |
128 |
f |
[CU]A:517 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
75 |
121 |
|
B |
3 |
1 |
14459 |
◊ |
L |
-x+1/2,-y+3,z-1/2 |
2_584 |
2 |
1 |
4825 |
21.1 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
76 |
122 |
|
B |
3 |
1 |
14459 |
◊ |
A |
-x+1/2,-y+3,z-1/2 |
2_584 |
2 |
1 |
20919 |
18.2 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
77 |
123 |
|
L |
1 |
1 |
4825 |
◊ |
D |
-x+1/2,-y+3,z-1/2 |
2_584 |
2 |
2 |
12655 |
16.4 |
0.7 |
0.848 |
0 |
0 |
0 |
0.000 |
78 |
124 |
|
X |
1 |
1 |
5052 |
◊ |
Y |
-x+3/2,-y+3,z-1/2 |
2_684 |
5 |
2 |
4845 |
16.0 |
0.4 |
0.821 |
0 |
0 |
0 |
0.000 |
79 |
125 |
|
K |
1 |
1 |
5042 |
◊ |
D |
-x+1/2,-y+3,z-1/2 |
2_584 |
3 |
1 |
12655 |
16.0 |
0.7 |
0.870 |
0 |
0 |
0 |
0.000 |
80 |
126 |
|
P |
3 |
2 |
15088 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
14442 |
12.1 |
-0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
127 |
|
C |
4 |
3 |
15089 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14459 |
11.7 |
-0.1 |
0.721 |
0 |
0 |
0 |
0.000 |
Average: |
11.9 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
81 |
128 |
|
[HEA]N:515 |
1 |
1 |
1156 |
◊ |
Y |
x,y,z |
1_555 |
2 |
1 |
4845 |
10.6 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
129 |
|
[HEA]A:515 |
1 |
1 |
1159 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
4825 |
10.5 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
Average: |
10.6 |
0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
82 |
130 |
|
T |
2 |
1 |
7674 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15089 |
9.0 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
131 |
|
G |
2 |
1 |
7663 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
15088 |
8.6 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
8.8 |
-0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
83 |
132 |
|
[CU]B:229 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
20919 |
8.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
133 |
|
[CU]O:229 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
2 |
1 |
20920 |
7.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
7.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
84 |
134 |
|
[ZN]F:99 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
20919 |
5.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
135 |
|
[ZN]S:99 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
1 |
1 |
20920 |
4.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
4.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.010 |
85 |
136 |
|
I |
2 |
1 |
7443 |
◊ |
M |
-x+1/2,-y+3,z-1/2 |
2_584 |
1 |
1 |
4434 |
4.9 |
0.2 |
0.809 |
0 |
0 |
0 |
0.000 |
86 |
137 |
|
Z |
1 |
1 |
4437 |
◊ |
X |
x,y,z |
1_555 |
1 |
1 |
5052 |
2.7 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
138 |
|
M |
1 |
1 |
4434 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
5042 |
2.5 |
-0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
87 |
139 |
|
O |
1 |
1 |
14442 |
◊ |
Y |
-x+3/2,-y+3,z-1/2 |
2_684 |
1 |
1 |
4845 |
2.3 |
0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
88 |
140 |
|
Y |
1 |
1 |
4845 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
12677 |
1.0 |
-0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
141 |
|
L |
1 |
1 |
4825 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12655 |
0.5 |
-0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
-0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
|