| ## |
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 |
|
N |
921 |
228 |
52616 |
◊ |
M |
x,y,z |
1_555 |
971 |
269 |
71002 |
9198.7 |
-95.7 |
0.008 |
125 |
33 |
0 |
0.836 |
2 |
|
B |
930 |
229 |
52555 |
◊ |
A |
x,y,z |
1_555 |
974 |
267 |
71058 |
9173.6 |
-96.6 |
0.007 |
123 |
35 |
0 |
0.836 |
| Average: |
9186.2 |
-96.1 |
0.007 |
124 |
34 |
0 |
0.836 |
| 2 |
3 |
|
G |
238 |
60 |
10113 |
◊ |
D |
x,y,z |
1_555 |
235 |
65 |
12433 |
2282.0 |
-20.7 |
0.111 |
23 |
10 |
0 |
1.000 |
4 |
|
S |
234 |
59 |
10042 |
◊ |
P |
x,y,z |
1_555 |
238 |
64 |
12503 |
2251.6 |
-21.0 |
0.134 |
24 |
9 |
0 |
1.000 |
| Average: |
2266.8 |
-20.8 |
0.122 |
24 |
10 |
0 |
1.000 |
| 3 |
5 |
|
E |
203 |
48 |
12822 |
◊ |
A |
x,y,z |
1_555 |
240 |
72 |
71058 |
2067.1 |
-11.7 |
0.250 |
25 |
7 |
0 |
0.862 |
6 |
|
Q |
204 |
48 |
12724 |
◊ |
M |
x,y,z |
1_555 |
246 |
76 |
71002 |
2056.8 |
-12.3 |
0.258 |
23 |
8 |
0 |
0.862 |
| Average: |
2062.0 |
-12.0 |
0.254 |
24 |
8 |
0 |
0.862 |
| 4 |
7 |
|
K |
192 |
46 |
8510 |
◊ |
C |
x,y,z |
1_555 |
196 |
51 |
16213 |
1994.2 |
-34.1 |
0.021 |
10 |
6 |
0 |
1.000 |
8 |
|
W |
195 |
45 |
8556 |
◊ |
O |
x,y,z |
1_555 |
191 |
52 |
16103 |
1993.4 |
-35.2 |
0.017 |
11 |
5 |
0 |
1.000 |
| Average: |
1993.8 |
-34.6 |
0.019 |
11 |
6 |
0 |
1.000 |
| 5 |
9 |
|
F |
216 |
57 |
5923 |
◊ |
A |
x,y,z |
1_555 |
210 |
55 |
71058 |
1932.3 |
-19.5 |
0.182 |
18 |
4 |
0 |
0.470 |
10 |
|
R |
204 |
53 |
5917 |
◊ |
M |
x,y,z |
1_555 |
208 |
55 |
71002 |
1916.8 |
-19.3 |
0.212 |
15 |
4 |
0 |
0.470 |
| Average: |
1924.6 |
-19.4 |
0.197 |
17 |
4 |
0 |
0.470 |
| 6 |
11 |
|
C |
190 |
43 |
16213 |
◊ |
B |
x,y,z |
1_555 |
180 |
45 |
52555 |
1692.0 |
-9.4 |
0.430 |
23 |
10 |
0 |
0.366 |
12 |
|
O |
182 |
42 |
16103 |
◊ |
N |
x,y,z |
1_555 |
180 |
45 |
52616 |
1676.4 |
-8.4 |
0.428 |
27 |
12 |
0 |
0.366 |
| Average: |
1684.2 |
-8.9 |
0.429 |
25 |
11 |
0 |
0.366 |
| 7 |
13 |
|
U |
161 |
43 |
9153 |
◊ |
M |
x,y,z |
1_555 |
174 |
44 |
71002 |
1555.3 |
-14.8 |
0.214 |
21 |
6 |
0 |
0.313 |
14 |
|
I |
161 |
43 |
9242 |
◊ |
A |
x,y,z |
1_555 |
176 |
45 |
71058 |
1550.7 |
-14.3 |
0.237 |
19 |
6 |
0 |
0.313 |
| Average: |
1553.0 |
-14.5 |
0.225 |
20 |
6 |
0 |
0.313 |
| 8 |
15 |
|
V |
154 |
33 |
4832 |
◊ |
N |
x,y,z |
1_555 |
177 |
55 |
52616 |
1506.4 |
-19.5 |
0.176 |
13 |
4 |
0 |
1.000 |
16 |
|
J |
151 |
32 |
4849 |
◊ |
B |
x,y,z |
1_555 |
178 |
55 |
52555 |
1492.9 |
-20.5 |
0.147 |
12 |
6 |
0 |
1.000 |
| Average: |
1499.7 |
-20.0 |
0.161 |
13 |
5 |
0 |
1.000 |
| 9 |
17 |
|
U |
157 |
38 |
9153 |
◊ |
N |
x,y,z |
1_555 |
147 |
39 |
52616 |
1420.3 |
-12.7 |
0.273 |
6 |
5 |
0 |
0.308 |
18 |
|
I |
153 |
39 |
9242 |
◊ |
B |
x,y,z |
1_555 |
153 |
38 |
52555 |
1416.7 |
-11.9 |
0.317 |
8 |
6 |
0 |
0.308 |
| Average: |
1418.5 |
-12.3 |
0.295 |
7 |
6 |
0 |
0.308 |
| 10 |
19 |
|
H |
160 |
37 |
8541 |
◊ |
A |
x,y,z |
1_555 |
134 |
41 |
71058 |
1386.0 |
-18.6 |
0.042 |
18 |
4 |
0 |
0.475 |
20 |
|
T |
160 |
37 |
8466 |
◊ |
M |
x,y,z |
1_555 |
134 |
43 |
71002 |
1379.7 |
-18.0 |
0.053 |
20 |
4 |
0 |
0.475 |
| Average: |
1382.8 |
-18.3 |
0.047 |
19 |
4 |
0 |
0.475 |
| 11 |
21 |
|
V |
109 |
26 |
4832 |
◊ |
O |
x,y,z |
1_555 |
121 |
38 |
16103 |
1085.6 |
-5.4 |
0.639 |
13 |
9 |
0 |
1.000 |
22 |
|
J |
109 |
27 |
4849 |
◊ |
C |
x,y,z |
1_555 |
121 |
38 |
16213 |
1084.9 |
-5.5 |
0.631 |
14 |
9 |
0 |
1.000 |
| Average: |
1085.2 |
-5.5 |
0.635 |
14 |
9 |
0 |
1.000 |
| 12 |
23 |
|
X |
106 |
25 |
4566 |
◊ |
N |
x,y,z |
1_555 |
120 |
39 |
52616 |
1049.1 |
2.0 |
0.850 |
15 |
15 |
0 |
0.000 |
24 |
|
L |
107 |
25 |
4546 |
◊ |
B |
x,y,z |
1_555 |
119 |
39 |
52555 |
1022.5 |
2.7 |
0.865 |
15 |
14 |
0 |
0.000 |
| Average: |
1035.8 |
2.4 |
0.857 |
15 |
15 |
0 |
0.000 |
| 13 |
25 |
|
W |
97 |
25 |
8556 |
◊ |
M |
x,y,z |
1_555 |
107 |
27 |
71002 |
949.2 |
-7.2 |
0.393 |
8 |
3 |
0 |
0.032 |
26 |
|
K |
97 |
26 |
8510 |
◊ |
A |
x,y,z |
1_555 |
106 |
27 |
71058 |
940.3 |
-8.2 |
0.398 |
9 |
3 |
0 |
0.032 |
| Average: |
944.7 |
-7.7 |
0.395 |
9 |
3 |
0 |
0.032 |
| 14 |
27 |
|
S |
78 |
21 |
10042 |
◊ |
G |
x,y,z |
1_555 |
80 |
21 |
10113 |
777.9 |
-8.1 |
0.232 |
3 |
0 |
0 |
0.000 |
| 15 |
28 |
|
4 |
91 |
10 |
4266 |
◊ |
M |
x,y,z |
1_555 |
91 |
28 |
71002 |
768.2 |
-2.9 |
0.791 |
6 |
0 |
0 |
0.018 |
29 |
|
1 |
91 |
11 |
4263 |
◊ |
A |
x,y,z |
1_555 |
89 |
28 |
71058 |
758.9 |
-3.4 |
0.781 |
6 |
0 |
0 |
0.018 |
| Average: |
763.6 |
-3.1 |
0.786 |
6 |
0 |
0 |
0.018 |
| 16 |
30 |
|
G |
66 |
19 |
10113 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
71058 |
588.3 |
-8.5 |
0.081 |
4 |
4 |
0 |
0.070 |
31 |
|
S |
63 |
18 |
10042 |
◊ |
M |
x,y,z |
1_555 |
55 |
16 |
71002 |
586.4 |
-8.7 |
0.074 |
4 |
5 |
0 |
0.070 |
| Average: |
587.3 |
-8.6 |
0.077 |
4 |
5 |
0 |
0.070 |
| 17 |
32 |
|
X |
50 |
9 |
4566 |
◊ |
O |
x,y,z |
1_555 |
77 |
19 |
16103 |
547.1 |
-1.7 |
0.586 |
10 |
9 |
0 |
0.000 |
33 |
|
L |
48 |
9 |
4546 |
◊ |
C |
x,y,z |
1_555 |
79 |
20 |
16213 |
540.1 |
-1.8 |
0.571 |
10 |
7 |
0 |
0.000 |
| Average: |
543.6 |
-1.8 |
0.579 |
10 |
8 |
0 |
0.000 |
| 18 |
34 |
|
6 |
58 |
10 |
2678 |
◊ |
N |
x,y,z |
1_555 |
55 |
23 |
52616 |
467.9 |
-6.5 |
0.787 |
4 |
0 |
0 |
0.157 |
35 |
|
3 |
56 |
10 |
2677 |
◊ |
B |
x,y,z |
1_555 |
55 |
23 |
52555 |
455.7 |
-6.9 |
0.758 |
3 |
0 |
0 |
0.157 |
| Average: |
461.8 |
-6.7 |
0.772 |
4 |
0 |
0 |
0.157 |
| 19 |
36 |
|
A |
53 |
16 |
71058 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
53 |
13 |
9242 |
467.7 |
1.1 |
0.610 |
11 |
4 |
0 |
0.000 |
37 |
|
U |
54 |
13 |
9153 |
◊ |
M |
-x+1/2,y-1/2,-z |
4_545 |
53 |
16 |
71002 |
459.1 |
1.1 |
0.644 |
10 |
4 |
0 |
0.000 |
| Average: |
463.4 |
1.1 |
0.627 |
11 |
4 |
0 |
0.000 |
| 20 |
38 |
|
W |
44 |
15 |
8556 |
◊ |
N |
x,y,z |
1_555 |
55 |
16 |
52616 |
465.3 |
-2.0 |
0.666 |
3 |
4 |
0 |
0.037 |
39 |
|
K |
42 |
14 |
8510 |
◊ |
B |
x,y,z |
1_555 |
55 |
16 |
52555 |
461.2 |
-1.9 |
0.661 |
2 |
4 |
0 |
0.037 |
| Average: |
463.2 |
-1.9 |
0.663 |
3 |
4 |
0 |
0.037 |
| 21 |
40 |
|
4 |
49 |
9 |
4266 |
◊ |
N |
x,y,z |
1_555 |
58 |
27 |
52616 |
452.3 |
-12.0 |
0.236 |
4 |
0 |
0 |
0.263 |
41 |
|
1 |
49 |
9 |
4263 |
◊ |
B |
x,y,z |
1_555 |
60 |
26 |
52555 |
451.4 |
-12.1 |
0.239 |
5 |
0 |
0 |
0.263 |
| Average: |
451.8 |
-12.0 |
0.238 |
5 |
0 |
0 |
0.263 |
| 22 |
42 |
|
G |
51 |
14 |
10113 |
◊ |
F |
x,y,z |
1_555 |
45 |
17 |
5923 |
446.2 |
-4.6 |
0.354 |
3 |
1 |
0 |
0.038 |
43 |
|
S |
47 |
13 |
10042 |
◊ |
R |
x,y,z |
1_555 |
45 |
18 |
5917 |
445.1 |
-4.5 |
0.355 |
3 |
1 |
0 |
0.038 |
| Average: |
445.7 |
-4.6 |
0.354 |
3 |
1 |
0 |
0.038 |
| 23 |
44 |
|
3 |
46 |
9 |
2677 |
◊ |
1 |
x,y,z |
1_555 |
53 |
10 |
4263 |
429.4 |
-4.9 |
0.745 |
25 |
0 |
0 |
1.000 |
45 |
|
6 |
47 |
9 |
2678 |
◊ |
4 |
x,y,z |
1_555 |
52 |
10 |
4266 |
428.8 |
-4.9 |
0.741 |
25 |
0 |
0 |
1.000 |
| Average: |
429.1 |
-4.9 |
0.743 |
25 |
0 |
0 |
1.000 |
| 24 |
46 |
|
O |
39 |
10 |
16103 |
◊ |
M |
-x,y,-z |
2_555 |
42 |
10 |
71002 |
356.3 |
-0.4 |
0.640 |
8 |
1 |
0 |
0.000 |
47 |
|
C |
40 |
10 |
16213 |
◊ |
A |
-x,y,-z+1 |
2_556 |
42 |
9 |
71058 |
352.9 |
-0.3 |
0.668 |
7 |
2 |
0 |
0.000 |
| Average: |
354.6 |
-0.4 |
0.654 |
8 |
2 |
0 |
0.000 |
| 25 |
48 |
|
C |
40 |
11 |
16213 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
71058 |
338.7 |
-1.6 |
0.552 |
4 |
0 |
0 |
0.014 |
49 |
|
O |
42 |
12 |
16103 |
◊ |
M |
x,y,z |
1_555 |
37 |
11 |
71002 |
336.9 |
-1.7 |
0.556 |
4 |
0 |
0 |
0.014 |
| Average: |
337.8 |
-1.7 |
0.554 |
4 |
0 |
0 |
0.014 |
| 26 |
50 |
|
P |
34 |
10 |
12503 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
71058 |
330.3 |
3.0 |
0.883 |
3 |
5 |
0 |
0.000 |
51 |
|
D |
23 |
7 |
12433 |
◊ |
M |
x,y,z |
1_555 |
32 |
10 |
71002 |
289.6 |
3.0 |
0.893 |
2 |
5 |
0 |
0.000 |
| Average: |
309.9 |
3.0 |
0.888 |
3 |
5 |
0 |
0.000 |
| 27 |
52 |
|
6 |
42 |
6 |
2678 |
◊ |
M |
x,y,z |
1_555 |
35 |
13 |
71002 |
292.7 |
-5.2 |
0.679 |
3 |
0 |
0 |
0.022 |
53 |
|
3 |
41 |
6 |
2677 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
71058 |
288.6 |
-4.9 |
0.692 |
3 |
0 |
0 |
0.022 |
| Average: |
290.7 |
-5.0 |
0.686 |
3 |
0 |
0 |
0.022 |
| 28 |
54 |
|
D |
25 |
5 |
12433 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
52555 |
286.1 |
-2.4 |
0.398 |
3 |
2 |
0 |
0.008 |
55 |
|
P |
29 |
6 |
12503 |
◊ |
N |
x,y,z |
1_555 |
35 |
12 |
52616 |
285.8 |
-2.2 |
0.441 |
3 |
1 |
0 |
0.008 |
| Average: |
285.9 |
-2.3 |
0.420 |
3 |
2 |
0 |
0.008 |
| 29 |
56 |
|
5 |
28 |
6 |
1475 |
◊ |
4 |
x,y,z |
1_555 |
27 |
7 |
4266 |
285.7 |
-2.6 |
0.563 |
11 |
0 |
0 |
0.000 |
57 |
|
2 |
28 |
6 |
1474 |
◊ |
1 |
x,y,z |
1_555 |
27 |
7 |
4263 |
284.6 |
-2.6 |
0.569 |
11 |
0 |
0 |
0.000 |
| Average: |
285.1 |
-2.6 |
0.566 |
11 |
0 |
0 |
0.000 |
| 30 |
58 |
|
P |
23 |
7 |
12503 |
◊ |
M |
x,y,z |
1_555 |
27 |
11 |
71002 |
281.8 |
-1.3 |
0.428 |
2 |
2 |
0 |
0.016 |
59 |
|
D |
24 |
8 |
12433 |
◊ |
A |
x,y,z |
1_555 |
28 |
12 |
71058 |
280.7 |
-1.4 |
0.421 |
1 |
1 |
0 |
0.016 |
| Average: |
281.3 |
-1.4 |
0.425 |
2 |
2 |
0 |
0.016 |
| 31 |
60 |
|
[BRU]1:23 |
20 |
1 |
446 |
cf |
1 |
x,y,z |
1_555 |
26 |
2 |
4263 |
215.7 |
2.9 |
0.780 |
0 |
0 |
0 |
0.000 |
61 |
|
[BRU]4:23 |
20 |
1 |
447 |
cf |
4 |
x,y,z |
1_555 |
26 |
2 |
4266 |
215.6 |
2.8 |
0.778 |
0 |
0 |
0 |
0.000 |
| Average: |
215.7 |
2.8 |
0.779 |
0 |
0 |
0 |
0.000 |
| 32 |
62 |
|
W |
22 |
7 |
8556 |
◊ |
T |
x,y,z |
1_555 |
23 |
6 |
8466 |
200.8 |
-1.2 |
0.572 |
0 |
0 |
0 |
0.003 |
63 |
|
K |
21 |
6 |
8510 |
◊ |
H |
x,y,z |
1_555 |
22 |
6 |
8541 |
194.6 |
-1.4 |
0.541 |
0 |
0 |
0 |
0.003 |
| Average: |
197.7 |
-1.3 |
0.556 |
0 |
0 |
0 |
0.003 |
| 33 |
64 |
|
T |
17 |
5 |
8466 |
◊ |
O |
x,y,z |
1_555 |
26 |
5 |
16103 |
174.4 |
-2.0 |
0.384 |
0 |
0 |
0 |
0.006 |
65 |
|
H |
17 |
5 |
8541 |
◊ |
C |
x,y,z |
1_555 |
27 |
5 |
16213 |
170.7 |
-2.1 |
0.374 |
0 |
0 |
0 |
0.006 |
| Average: |
172.5 |
-2.0 |
0.379 |
0 |
0 |
0 |
0.006 |
| 34 |
66 |
|
2 |
23 |
5 |
1474 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
71058 |
161.4 |
1.5 |
0.781 |
0 |
0 |
0 |
0.000 |
67 |
|
5 |
24 |
5 |
1475 |
◊ |
M |
x,y,z |
1_555 |
22 |
10 |
71002 |
161.1 |
1.7 |
0.788 |
2 |
0 |
0 |
0.000 |
| Average: |
161.3 |
1.6 |
0.784 |
1 |
0 |
0 |
0.000 |
| 35 |
68 |
|
F |
17 |
5 |
5923 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
12822 |
130.9 |
-0.2 |
0.548 |
1 |
2 |
0 |
0.009 |
69 |
|
R |
17 |
5 |
5917 |
◊ |
Q |
x,y,z |
1_555 |
12 |
5 |
12724 |
129.0 |
-0.3 |
0.551 |
1 |
2 |
0 |
0.009 |
| Average: |
130.0 |
-0.2 |
0.550 |
1 |
2 |
0 |
0.009 |
| 36 |
70 |
|
X |
14 |
5 |
4566 |
◊ |
N |
-x,y,-z |
2_555 |
13 |
6 |
52616 |
121.2 |
-0.9 |
0.521 |
1 |
0 |
0 |
0.000 |
71 |
|
L |
12 |
5 |
4546 |
◊ |
B |
-x,y,-z+1 |
2_556 |
8 |
5 |
52555 |
106.5 |
-0.3 |
0.588 |
2 |
1 |
0 |
0.000 |
| Average: |
113.9 |
-0.6 |
0.554 |
2 |
1 |
0 |
0.000 |
| 37 |
72 |
|
F |
16 |
7 |
5923 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
52555 |
104.8 |
0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
73 |
|
R |
15 |
7 |
5917 |
◊ |
N |
x,y,z |
1_555 |
12 |
6 |
52616 |
102.3 |
0.3 |
0.728 |
1 |
0 |
0 |
0.000 |
| Average: |
103.6 |
0.2 |
0.722 |
1 |
0 |
0 |
0.001 |
| 38 |
74 |
|
X |
9 |
3 |
4566 |
◊ |
X |
-x,y,-z |
2_555 |
9 |
3 |
4566 |
103.3 |
1.3 |
0.788 |
2 |
0 |
0 |
0.000 |
75 |
|
L |
10 |
3 |
4546 |
◊ |
L |
-x,y,-z+1 |
2_556 |
10 |
3 |
4546 |
98.5 |
0.8 |
0.735 |
4 |
0 |
0 |
0.000 |
| Average: |
100.9 |
1.1 |
0.761 |
3 |
0 |
0 |
0.000 |
| 39 |
76 |
|
2 |
9 |
2 |
1474 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
52555 |
101.9 |
-1.0 |
0.493 |
1 |
0 |
0 |
0.000 |
77 |
|
5 |
9 |
2 |
1475 |
◊ |
N |
x,y,z |
1_555 |
13 |
5 |
52616 |
98.9 |
-1.0 |
0.485 |
1 |
0 |
0 |
0.000 |
| Average: |
100.4 |
-1.0 |
0.489 |
1 |
0 |
0 |
0.000 |
| 40 |
78 |
|
S |
13 |
5 |
10042 |
◊ |
N |
x,y,z |
1_555 |
13 |
5 |
52616 |
96.5 |
-0.9 |
0.506 |
1 |
0 |
0 |
0.003 |
79 |
|
G |
15 |
5 |
10113 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
52555 |
94.0 |
-0.7 |
0.517 |
1 |
0 |
0 |
0.003 |
| Average: |
95.3 |
-0.8 |
0.511 |
1 |
0 |
0 |
0.003 |
| 41 |
80 |
|
[BRU]4:23 |
7 |
1 |
447 |
◊ |
N |
x,y,z |
1_555 |
11 |
4 |
52616 |
85.3 |
-1.3 |
0.396 |
2 |
0 |
0 |
0.042 |
81 |
|
[BRU]1:23 |
7 |
1 |
446 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
52555 |
81.4 |
-2.0 |
0.370 |
2 |
0 |
0 |
0.042 |
| Average: |
83.4 |
-1.6 |
0.383 |
2 |
0 |
0 |
0.042 |
| 42 |
82 |
|
E |
8 |
3 |
12822 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
52555 |
79.5 |
-1.6 |
0.191 |
0 |
0 |
0 |
0.006 |
83 |
|
Q |
8 |
3 |
12724 |
◊ |
N |
x,y,z |
1_555 |
8 |
1 |
52616 |
76.2 |
-1.6 |
0.197 |
0 |
0 |
0 |
0.006 |
| Average: |
77.9 |
-1.6 |
0.194 |
0 |
0 |
0 |
0.006 |
| 43 |
84 |
|
[BRU]4:23 |
10 |
1 |
447 |
◊ |
6 |
x,y,z |
1_555 |
10 |
3 |
2678 |
79.3 |
1.6 |
0.741 |
1 |
0 |
0 |
0.000 |
85 |
|
[BRU]1:23 |
10 |
1 |
446 |
◊ |
3 |
x,y,z |
1_555 |
10 |
3 |
2677 |
78.5 |
1.6 |
0.740 |
1 |
0 |
0 |
0.000 |
| Average: |
78.9 |
1.6 |
0.741 |
1 |
0 |
0 |
0.000 |
| 44 |
86 |
|
L |
7 |
3 |
4546 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
4849 |
69.1 |
-0.4 |
0.423 |
1 |
0 |
0 |
0.000 |
87 |
|
X |
6 |
3 |
4566 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
4832 |
67.7 |
-0.4 |
0.492 |
1 |
0 |
0 |
0.000 |
| Average: |
68.4 |
-0.4 |
0.458 |
1 |
0 |
0 |
0.000 |
| 45 |
88 |
|
S |
9 |
5 |
10042 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
52555 |
52.9 |
1.1 |
0.789 |
1 |
0 |
0 |
0.000 |
89 |
|
G |
1 |
1 |
10113 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
52616 |
1.7 |
-0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
| Average: |
27.3 |
0.6 |
0.720 |
1 |
0 |
0 |
0.000 |
| 46 |
90 |
|
O |
4 |
2 |
16103 |
◊ |
N |
-x,y,-z |
2_555 |
7 |
3 |
52616 |
52.7 |
0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
91 |
|
C |
7 |
3 |
16213 |
◊ |
B |
-x,y,-z+1 |
2_556 |
7 |
2 |
52555 |
38.2 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
45.5 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
| 47 |
92 |
|
[ZN]B:9986 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
52555 |
49.0 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.582 |
| 48 |
93 |
|
S |
1 |
1 |
10042 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
71058 |
22.5 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
94 |
|
G |
1 |
1 |
10113 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
71002 |
14.3 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
| Average: |
18.4 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| 49 |
95 |
|
X |
1 |
1 |
4566 |
◊ |
W |
x,y,z |
1_555 |
2 |
1 |
8556 |
14.2 |
-0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
96 |
|
L |
1 |
1 |
4546 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
8510 |
14.2 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
| Average: |
14.2 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
| 50 |
97 |
|
[ZN]C:9987 |
1 |
1 |
98 |
f |
A |
-x,y,-z+1 |
2_556 |
1 |
1 |
71058 |
12.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.160 |
98 |
|
[ZN]O:9995 |
1 |
1 |
98 |
f |
M |
-x,y,-z |
2_555 |
1 |
1 |
71002 |
10.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.160 |
| Average: |
11.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.160 |
| 51 |
99 |
|
H |
2 |
1 |
8541 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
52555 |
7.6 |
0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
100 |
|
T |
2 |
1 |
8466 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
52616 |
6.3 |
0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
| Average: |
7.0 |
0.1 |
0.456 |
0 |
0 |
0 |
0.000 |
| 52 |
101 |
|
[ZN]A:9985 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
52555 |
3.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.020 |
|