| ## |
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 |
176 |
49 |
9949 |
◊ |
H |
x,y,z |
1_555 |
162 |
41 |
13736 |
1590.4 |
-14.0 |
0.247 |
27 |
18 |
0 |
0.814 |
2 |
|
W |
172 |
49 |
9948 |
◊ |
V |
x,y,z |
1_555 |
157 |
40 |
13730 |
1587.2 |
-14.0 |
0.232 |
28 |
18 |
0 |
0.814 |
| Average: |
1588.8 |
-14.0 |
0.239 |
28 |
18 |
0 |
0.814 |
| 2 |
3 |
|
C |
146 |
34 |
12949 |
◊ |
B |
x,y,z |
1_555 |
175 |
42 |
12848 |
1541.4 |
-10.4 |
0.237 |
21 |
3 |
0 |
1.000 |
4 |
|
Q |
147 |
34 |
12968 |
◊ |
P |
x,y,z |
1_555 |
178 |
42 |
12822 |
1534.2 |
-10.5 |
0.234 |
21 |
3 |
0 |
1.000 |
| Average: |
1537.8 |
-10.5 |
0.236 |
21 |
3 |
0 |
1.000 |
| 3 |
5 |
|
L |
160 |
39 |
12069 |
◊ |
V |
x,y,z |
1_555 |
137 |
35 |
13730 |
1433.3 |
-6.4 |
0.445 |
18 |
4 |
0 |
0.610 |
6 |
|
Z |
160 |
38 |
12049 |
◊ |
H |
x,y,z |
1_555 |
137 |
35 |
13736 |
1427.8 |
-7.0 |
0.433 |
18 |
4 |
0 |
0.610 |
| Average: |
1430.6 |
-6.7 |
0.439 |
18 |
4 |
0 |
0.610 |
| 4 |
7 |
|
U |
153 |
40 |
12852 |
◊ |
O |
x,y,z |
1_555 |
140 |
38 |
13382 |
1406.2 |
-17.4 |
0.081 |
13 |
2 |
0 |
0.405 |
8 |
|
G |
154 |
41 |
12840 |
◊ |
A |
x,y,z |
1_555 |
141 |
38 |
13396 |
1386.9 |
-17.0 |
0.089 |
14 |
2 |
0 |
0.405 |
| Average: |
1396.6 |
-17.2 |
0.085 |
14 |
2 |
0 |
0.405 |
| 5 |
9 |
|
G |
138 |
32 |
12840 |
◊ |
F |
x,y,z |
1_555 |
158 |
39 |
12433 |
1355.3 |
-13.4 |
0.145 |
19 |
3 |
0 |
0.440 |
10 |
|
U |
137 |
32 |
12852 |
◊ |
T |
x,y,z |
1_555 |
157 |
39 |
12441 |
1354.7 |
-13.7 |
0.136 |
18 |
3 |
0 |
0.440 |
| Average: |
1355.0 |
-13.6 |
0.140 |
19 |
3 |
0 |
0.440 |
| 6 |
11 |
|
P |
147 |
38 |
12822 |
◊ |
O |
x,y,z |
1_555 |
160 |
42 |
13382 |
1351.4 |
-16.5 |
0.105 |
15 |
1 |
0 |
1.000 |
12 |
|
B |
141 |
38 |
12848 |
◊ |
A |
x,y,z |
1_555 |
157 |
42 |
13396 |
1350.3 |
-16.4 |
0.103 |
13 |
1 |
0 |
1.000 |
| Average: |
1350.9 |
-16.5 |
0.104 |
14 |
1 |
0 |
1.000 |
| 7 |
13 |
|
T |
147 |
34 |
12441 |
◊ |
S |
x,y,z |
1_555 |
149 |
38 |
11841 |
1333.7 |
-13.2 |
0.132 |
16 |
4 |
0 |
1.000 |
14 |
|
F |
146 |
34 |
12433 |
◊ |
E |
x,y,z |
1_555 |
146 |
38 |
11848 |
1328.9 |
-13.0 |
0.135 |
15 |
4 |
0 |
1.000 |
| Average: |
1331.3 |
-13.1 |
0.133 |
16 |
4 |
0 |
1.000 |
| 8 |
15 |
|
b |
139 |
38 |
9584 |
◊ |
M |
x,y,z |
1_555 |
133 |
28 |
12650 |
1310.4 |
-8.6 |
0.303 |
24 |
3 |
0 |
1.000 |
16 |
|
N |
140 |
38 |
9587 |
◊ |
a |
x,y,z |
1_555 |
132 |
28 |
12657 |
1308.8 |
-8.9 |
0.285 |
24 |
3 |
0 |
1.000 |
| Average: |
1309.6 |
-8.7 |
0.294 |
24 |
3 |
0 |
1.000 |
| 9 |
17 |
|
D |
127 |
34 |
12254 |
◊ |
C |
x,y,z |
1_555 |
138 |
37 |
12949 |
1280.8 |
-11.9 |
0.124 |
17 |
2 |
0 |
0.565 |
18 |
|
R |
126 |
34 |
12242 |
◊ |
Q |
x,y,z |
1_555 |
137 |
37 |
12968 |
1273.9 |
-11.8 |
0.122 |
17 |
2 |
0 |
0.565 |
| Average: |
1277.3 |
-11.9 |
0.123 |
17 |
2 |
0 |
0.565 |
| 10 |
19 |
|
S |
112 |
30 |
11841 |
◊ |
R |
x,y,z |
1_555 |
119 |
32 |
12242 |
1036.5 |
-9.7 |
0.168 |
11 |
4 |
0 |
1.000 |
20 |
|
E |
109 |
30 |
11848 |
◊ |
D |
x,y,z |
1_555 |
118 |
32 |
12254 |
1024.9 |
-9.6 |
0.168 |
12 |
4 |
0 |
1.000 |
| Average: |
1030.7 |
-9.6 |
0.168 |
12 |
4 |
0 |
1.000 |
| 11 |
21 |
|
a |
98 |
29 |
12657 |
◊ |
Z |
x,y,z |
1_555 |
96 |
28 |
12049 |
959.4 |
1.7 |
0.734 |
17 |
10 |
0 |
0.163 |
22 |
|
M |
98 |
30 |
12650 |
◊ |
L |
x,y,z |
1_555 |
96 |
29 |
12069 |
956.3 |
1.8 |
0.735 |
17 |
10 |
0 |
0.163 |
| Average: |
957.8 |
1.8 |
0.734 |
17 |
10 |
0 |
0.163 |
| 12 |
23 |
|
K |
99 |
27 |
10436 |
◊ |
W |
x,y,z |
1_555 |
99 |
25 |
9948 |
945.0 |
-2.6 |
0.547 |
18 |
5 |
0 |
0.161 |
24 |
|
Y |
103 |
28 |
10464 |
◊ |
I |
x,y,z |
1_555 |
99 |
25 |
9949 |
935.7 |
-2.6 |
0.557 |
18 |
5 |
0 |
0.161 |
| Average: |
940.4 |
-2.6 |
0.552 |
18 |
5 |
0 |
0.161 |
| 13 |
25 |
|
M |
89 |
25 |
12650 |
◊ |
V |
x,y,z |
1_555 |
104 |
28 |
13730 |
925.8 |
-10.8 |
0.177 |
4 |
1 |
0 |
0.286 |
26 |
|
a |
91 |
25 |
12657 |
◊ |
H |
x,y,z |
1_555 |
103 |
28 |
13736 |
925.1 |
-10.8 |
0.179 |
4 |
2 |
0 |
0.286 |
| Average: |
925.4 |
-10.8 |
0.178 |
4 |
2 |
0 |
0.286 |
| 14 |
27 |
|
K |
86 |
20 |
10436 |
◊ |
X |
x,y,z |
1_555 |
87 |
20 |
10320 |
775.9 |
-3.7 |
0.415 |
7 |
9 |
0 |
0.194 |
28 |
|
Y |
87 |
20 |
10464 |
◊ |
J |
x,y,z |
1_555 |
88 |
20 |
10309 |
772.1 |
-3.6 |
0.417 |
7 |
9 |
0 |
0.194 |
| Average: |
774.0 |
-3.7 |
0.416 |
7 |
9 |
0 |
0.194 |
| 15 |
29 |
|
X |
79 |
19 |
10320 |
◊ |
J |
x,y,z |
1_555 |
78 |
19 |
10309 |
742.4 |
-4.0 |
0.358 |
16 |
2 |
0 |
0.137 |
| 16 |
30 |
|
Z |
84 |
24 |
12049 |
◊ |
Y |
x,y,z |
1_555 |
78 |
24 |
10464 |
719.8 |
-3.0 |
0.308 |
14 |
5 |
0 |
0.137 |
31 |
|
L |
85 |
24 |
12069 |
◊ |
K |
x,y,z |
1_555 |
79 |
24 |
10436 |
711.8 |
-2.7 |
0.337 |
14 |
5 |
0 |
0.137 |
| Average: |
715.8 |
-2.9 |
0.322 |
14 |
5 |
0 |
0.137 |
| 17 |
32 |
|
L |
82 |
19 |
12069 |
◊ |
W |
x,y,z |
1_555 |
84 |
21 |
9948 |
660.8 |
-4.3 |
0.348 |
8 |
7 |
0 |
0.143 |
33 |
|
Z |
83 |
19 |
12049 |
◊ |
I |
x,y,z |
1_555 |
85 |
21 |
9949 |
659.7 |
-4.4 |
0.348 |
7 |
7 |
0 |
0.143 |
| Average: |
660.3 |
-4.4 |
0.348 |
8 |
7 |
0 |
0.143 |
| 18 |
34 |
|
V |
60 |
17 |
13730 |
◊ |
O |
x,y,z |
1_555 |
76 |
19 |
13382 |
655.0 |
-4.9 |
0.430 |
11 |
3 |
0 |
0.080 |
35 |
|
H |
62 |
17 |
13736 |
◊ |
A |
x,y,z |
1_555 |
74 |
19 |
13396 |
651.1 |
-4.0 |
0.482 |
11 |
3 |
0 |
0.080 |
| Average: |
653.1 |
-4.4 |
0.456 |
11 |
3 |
0 |
0.080 |
| 19 |
36 |
|
H |
63 |
15 |
13736 |
◊ |
G |
x,y,z |
1_555 |
71 |
18 |
12840 |
640.4 |
-0.3 |
0.615 |
10 |
13 |
0 |
0.056 |
37 |
|
V |
64 |
15 |
13730 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
12852 |
635.1 |
-0.4 |
0.613 |
11 |
12 |
0 |
0.056 |
| Average: |
637.8 |
-0.3 |
0.614 |
11 |
13 |
0 |
0.056 |
| 20 |
38 |
|
N |
72 |
15 |
9587 |
◊ |
b |
x,y,z |
1_555 |
71 |
16 |
9584 |
636.3 |
-4.5 |
0.312 |
11 |
4 |
0 |
0.041 |
| 21 |
39 |
|
N |
64 |
19 |
9587 |
◊ |
M |
x,y,z |
1_555 |
64 |
20 |
12650 |
628.7 |
-0.7 |
0.579 |
8 |
4 |
0 |
0.040 |
40 |
|
b |
65 |
20 |
9584 |
◊ |
a |
x,y,z |
1_555 |
64 |
20 |
12657 |
627.4 |
-0.9 |
0.577 |
8 |
3 |
0 |
0.040 |
| Average: |
628.1 |
-0.8 |
0.578 |
8 |
4 |
0 |
0.040 |
| 22 |
41 |
|
Y |
60 |
21 |
10464 |
◊ |
X |
x,y,z |
1_555 |
58 |
19 |
10320 |
614.6 |
-2.0 |
0.482 |
10 |
6 |
0 |
0.176 |
42 |
|
K |
65 |
21 |
10436 |
◊ |
J |
x,y,z |
1_555 |
60 |
19 |
10309 |
612.6 |
-2.0 |
0.491 |
10 |
6 |
0 |
0.176 |
| Average: |
613.6 |
-2.0 |
0.487 |
10 |
6 |
0 |
0.176 |
| 23 |
43 |
|
a |
66 |
17 |
12657 |
◊ |
S |
x,y,z |
1_555 |
55 |
13 |
11841 |
589.0 |
-2.7 |
0.431 |
6 |
3 |
0 |
0.019 |
44 |
|
M |
65 |
17 |
12650 |
◊ |
E |
x,y,z |
1_555 |
56 |
13 |
11848 |
587.1 |
-2.8 |
0.423 |
7 |
3 |
0 |
0.019 |
| Average: |
588.1 |
-2.7 |
0.427 |
7 |
3 |
0 |
0.019 |
| 24 |
45 |
|
J |
56 |
19 |
10309 |
◊ |
I |
x,y,z |
1_555 |
58 |
23 |
9949 |
552.1 |
-3.6 |
0.325 |
10 |
3 |
0 |
0.120 |
46 |
|
X |
55 |
19 |
10320 |
◊ |
W |
x,y,z |
1_555 |
58 |
23 |
9948 |
548.9 |
-3.6 |
0.324 |
10 |
3 |
0 |
0.120 |
| Average: |
550.5 |
-3.6 |
0.325 |
10 |
3 |
0 |
0.120 |
| 25 |
47 |
|
X |
59 |
15 |
10320 |
◊ |
P |
x,y,z |
1_555 |
57 |
14 |
12822 |
551.3 |
-0.3 |
0.583 |
11 |
4 |
0 |
0.013 |
48 |
|
J |
60 |
16 |
10309 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
12848 |
548.5 |
-0.4 |
0.582 |
11 |
4 |
0 |
0.013 |
| Average: |
549.9 |
-0.3 |
0.582 |
11 |
4 |
0 |
0.013 |
| 26 |
49 |
|
L |
55 |
15 |
12069 |
◊ |
D |
x,y,z |
1_555 |
54 |
13 |
12254 |
534.1 |
2.0 |
0.764 |
9 |
4 |
0 |
0.021 |
50 |
|
Z |
55 |
15 |
12049 |
◊ |
R |
x,y,z |
1_555 |
54 |
13 |
12242 |
528.5 |
2.1 |
0.772 |
9 |
4 |
0 |
0.021 |
| Average: |
531.3 |
2.1 |
0.768 |
9 |
4 |
0 |
0.021 |
| 27 |
51 |
|
I |
60 |
16 |
9949 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
13396 |
527.7 |
-3.0 |
0.480 |
6 |
2 |
0 |
0.026 |
52 |
|
W |
60 |
16 |
9948 |
◊ |
O |
x,y,z |
1_555 |
45 |
13 |
13382 |
527.4 |
-3.0 |
0.466 |
6 |
2 |
0 |
0.026 |
| Average: |
527.5 |
-3.0 |
0.473 |
6 |
2 |
0 |
0.026 |
| 28 |
53 |
|
N |
54 |
18 |
9587 |
◊ |
H |
x,y,z |
1_555 |
55 |
20 |
13736 |
477.1 |
-1.3 |
0.608 |
10 |
5 |
0 |
0.092 |
54 |
|
b |
53 |
18 |
9584 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13730 |
476.3 |
-1.3 |
0.604 |
10 |
5 |
0 |
0.092 |
| Average: |
476.7 |
-1.3 |
0.606 |
10 |
5 |
0 |
0.092 |
| 29 |
55 |
|
W |
49 |
11 |
9948 |
◊ |
P |
x,y,z |
1_555 |
57 |
13 |
12822 |
475.8 |
-1.9 |
0.437 |
5 |
1 |
0 |
0.009 |
56 |
|
I |
48 |
11 |
9949 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12848 |
473.6 |
-1.9 |
0.436 |
5 |
1 |
0 |
0.009 |
| Average: |
474.7 |
-1.9 |
0.437 |
5 |
1 |
0 |
0.009 |
| 30 |
57 |
|
b |
54 |
16 |
9584 |
◊ |
T |
x,y,z |
1_555 |
47 |
12 |
12441 |
473.3 |
-1.8 |
0.490 |
6 |
1 |
0 |
0.010 |
58 |
|
N |
55 |
16 |
9587 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
12433 |
472.1 |
-1.9 |
0.478 |
5 |
1 |
0 |
0.010 |
| Average: |
472.7 |
-1.8 |
0.484 |
6 |
1 |
0 |
0.010 |
| 31 |
59 |
|
N |
51 |
13 |
9587 |
◊ |
G |
x,y,z |
1_555 |
49 |
13 |
12840 |
460.6 |
-1.8 |
0.459 |
4 |
2 |
0 |
0.032 |
60 |
|
b |
51 |
13 |
9584 |
◊ |
U |
x,y,z |
1_555 |
49 |
13 |
12852 |
452.4 |
-1.9 |
0.452 |
4 |
2 |
0 |
0.032 |
| Average: |
456.5 |
-1.9 |
0.456 |
4 |
2 |
0 |
0.032 |
| 32 |
61 |
|
M |
50 |
12 |
12650 |
◊ |
F |
x,y,z |
1_555 |
58 |
17 |
12433 |
455.5 |
0.1 |
0.685 |
7 |
7 |
0 |
0.009 |
62 |
|
a |
50 |
12 |
12657 |
◊ |
T |
x,y,z |
1_555 |
58 |
17 |
12441 |
452.7 |
0.1 |
0.681 |
8 |
7 |
0 |
0.009 |
| Average: |
454.1 |
0.1 |
0.683 |
8 |
7 |
0 |
0.009 |
| 33 |
63 |
|
[39V]K:301 |
41 |
1 |
841 |
cf |
K |
x,y,z |
1_555 |
56 |
22 |
10436 |
455.2 |
-8.7 |
0.486 |
6 |
0 |
0 |
0.273 |
64 |
|
[39V]Y:301 |
43 |
1 |
842 |
cf |
Y |
x,y,z |
1_555 |
54 |
22 |
10464 |
447.5 |
-8.8 |
0.468 |
6 |
0 |
0 |
0.273 |
| Average: |
451.4 |
-8.8 |
0.477 |
6 |
0 |
0 |
0.273 |
| 34 |
65 |
|
P |
39 |
15 |
12822 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
49 |
14 |
12254 |
413.7 |
-2.3 |
0.418 |
4 |
0 |
0 |
0.000 |
| 35 |
66 |
|
J |
41 |
10 |
10309 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
12949 |
403.6 |
-2.8 |
0.284 |
5 |
4 |
0 |
0.012 |
67 |
|
X |
41 |
10 |
10320 |
◊ |
Q |
x,y,z |
1_555 |
46 |
11 |
12968 |
400.8 |
-2.8 |
0.276 |
5 |
4 |
0 |
0.012 |
| Average: |
402.2 |
-2.8 |
0.280 |
5 |
4 |
0 |
0.012 |
| 36 |
68 |
|
K |
41 |
9 |
10436 |
◊ |
D |
x,y,z |
1_555 |
42 |
10 |
12254 |
395.3 |
-4.2 |
0.259 |
4 |
6 |
0 |
0.056 |
69 |
|
Y |
42 |
9 |
10464 |
◊ |
R |
x,y,z |
1_555 |
41 |
10 |
12242 |
395.3 |
-4.3 |
0.253 |
4 |
6 |
0 |
0.056 |
| Average: |
395.3 |
-4.2 |
0.256 |
4 |
6 |
0 |
0.056 |
| 37 |
70 |
|
L |
32 |
7 |
12069 |
◊ |
E |
x,y,z |
1_555 |
44 |
12 |
11848 |
355.1 |
-0.0 |
0.525 |
3 |
2 |
0 |
0.016 |
71 |
|
Z |
31 |
7 |
12049 |
◊ |
S |
x,y,z |
1_555 |
45 |
12 |
11841 |
352.2 |
-0.1 |
0.517 |
4 |
2 |
0 |
0.016 |
| Average: |
353.7 |
-0.1 |
0.521 |
4 |
2 |
0 |
0.016 |
| 38 |
72 |
|
K |
40 |
13 |
10436 |
◊ |
C |
x,y,z |
1_555 |
40 |
11 |
12949 |
328.3 |
0.8 |
0.686 |
6 |
5 |
0 |
0.006 |
73 |
|
Y |
39 |
13 |
10464 |
◊ |
Q |
x,y,z |
1_555 |
37 |
10 |
12968 |
312.7 |
0.7 |
0.676 |
6 |
5 |
0 |
0.006 |
| Average: |
320.5 |
0.7 |
0.681 |
6 |
5 |
0 |
0.006 |
| 39 |
74 |
|
V |
25 |
4 |
13730 |
◊ |
P |
x,y,z |
1_555 |
37 |
11 |
12822 |
274.2 |
-3.1 |
0.334 |
0 |
0 |
0 |
0.007 |
75 |
|
H |
24 |
4 |
13736 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
12848 |
273.0 |
-3.0 |
0.336 |
0 |
0 |
0 |
0.007 |
| Average: |
273.6 |
-3.1 |
0.335 |
0 |
0 |
0 |
0.007 |
| 40 |
76 |
|
U |
36 |
11 |
12852 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
14 |
12840 |
258.0 |
1.6 |
0.750 |
2 |
0 |
0 |
0.000 |
| 41 |
77 |
|
U |
34 |
12 |
12852 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
13 |
13396 |
256.5 |
1.8 |
0.785 |
2 |
1 |
0 |
0.000 |
| 42 |
78 |
|
T |
33 |
12 |
12441 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
12 |
12433 |
247.6 |
1.5 |
0.782 |
2 |
2 |
0 |
0.000 |
| 43 |
79 |
|
R |
38 |
13 |
12242 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
12848 |
225.9 |
-2.3 |
0.146 |
2 |
0 |
0 |
0.000 |
| 44 |
80 |
|
[39V]Y:301 |
16 |
1 |
842 |
◊ |
Z |
x,y,z |
1_555 |
32 |
11 |
12049 |
176.3 |
-3.3 |
0.574 |
0 |
0 |
0 |
0.044 |
81 |
|
[39V]K:301 |
16 |
1 |
841 |
◊ |
L |
x,y,z |
1_555 |
32 |
11 |
12069 |
175.4 |
-3.1 |
0.614 |
0 |
0 |
0 |
0.044 |
| Average: |
175.9 |
-3.2 |
0.594 |
0 |
0 |
0 |
0.044 |
| 45 |
82 |
|
T |
14 |
4 |
12441 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13382 |
140.9 |
-1.6 |
0.405 |
2 |
0 |
0 |
0.030 |
83 |
|
F |
14 |
4 |
12433 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13396 |
140.6 |
-1.6 |
0.410 |
2 |
0 |
0 |
0.030 |
| Average: |
140.8 |
-1.6 |
0.408 |
2 |
0 |
0 |
0.030 |
| 46 |
84 |
|
T |
15 |
5 |
12441 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12822 |
134.6 |
0.1 |
0.634 |
1 |
0 |
0 |
0.005 |
85 |
|
F |
15 |
5 |
12433 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12848 |
132.6 |
0.0 |
0.632 |
1 |
0 |
0 |
0.005 |
| Average: |
133.6 |
0.0 |
0.633 |
1 |
0 |
0 |
0.005 |
| 47 |
86 |
|
U |
15 |
3 |
12852 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12822 |
129.1 |
-2.8 |
0.139 |
0 |
0 |
0 |
0.048 |
87 |
|
G |
15 |
3 |
12840 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12848 |
125.4 |
-2.7 |
0.140 |
0 |
0 |
0 |
0.048 |
| Average: |
127.2 |
-2.8 |
0.140 |
0 |
0 |
0 |
0.048 |
| 48 |
88 |
|
E |
16 |
6 |
11848 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12848 |
127.0 |
0.8 |
0.662 |
2 |
1 |
0 |
0.006 |
89 |
|
S |
14 |
6 |
11841 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
12822 |
125.3 |
0.7 |
0.648 |
2 |
1 |
0 |
0.006 |
| Average: |
126.1 |
0.7 |
0.655 |
2 |
1 |
0 |
0.006 |
| 49 |
90 |
|
R |
15 |
4 |
12242 |
◊ |
P |
x,y,z |
1_555 |
13 |
3 |
12822 |
118.8 |
0.8 |
0.714 |
1 |
2 |
0 |
0.002 |
91 |
|
D |
15 |
4 |
12254 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12848 |
118.8 |
0.7 |
0.704 |
1 |
2 |
0 |
0.002 |
| Average: |
118.8 |
0.7 |
0.709 |
1 |
2 |
0 |
0.002 |
| 50 |
92 |
|
T |
13 |
5 |
12441 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12840 |
104.6 |
-0.0 |
0.543 |
2 |
0 |
0 |
0.000 |
| 51 |
93 |
|
K |
10 |
3 |
10436 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13730 |
95.0 |
-1.8 |
0.221 |
0 |
0 |
0 |
0.008 |
94 |
|
Y |
10 |
3 |
10464 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13736 |
94.0 |
-1.8 |
0.215 |
0 |
0 |
0 |
0.008 |
| Average: |
94.5 |
-1.8 |
0.218 |
0 |
0 |
0 |
0.008 |
| 52 |
95 |
|
[MES]Y:302 |
7 |
1 |
341 |
f |
Y |
x,y,z |
1_555 |
21 |
7 |
10464 |
93.4 |
1.0 |
0.078 |
0 |
0 |
0 |
0.000 |
| 53 |
96 |
|
[MES]Y:302 |
10 |
1 |
341 |
f |
[39V]Y:301 |
x,y,z |
1_555 |
14 |
1 |
842 |
92.1 |
1.6 |
0.076 |
0 |
0 |
0 |
0.000 |
| 54 |
97 |
|
Q |
15 |
4 |
12968 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13382 |
86.9 |
-1.3 |
0.357 |
0 |
0 |
0 |
0.030 |
98 |
|
C |
14 |
4 |
12949 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13396 |
82.4 |
-1.1 |
0.385 |
0 |
0 |
0 |
0.030 |
| Average: |
84.7 |
-1.2 |
0.371 |
0 |
0 |
0 |
0.030 |
| 55 |
99 |
|
T |
8 |
3 |
12441 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
11848 |
79.3 |
-0.1 |
0.535 |
2 |
0 |
0 |
0.000 |
| 56 |
100 |
|
a |
7 |
3 |
12657 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12840 |
71.2 |
1.1 |
0.721 |
1 |
0 |
0 |
0.000 |
101 |
|
M |
8 |
3 |
12650 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12852 |
68.8 |
1.0 |
0.704 |
1 |
0 |
0 |
0.000 |
| Average: |
70.0 |
1.0 |
0.712 |
1 |
0 |
0 |
0.000 |
| 57 |
102 |
|
U |
5 |
2 |
12852 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
12433 |
59.9 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
| 58 |
103 |
|
E |
6 |
2 |
11848 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13396 |
57.9 |
-0.1 |
0.464 |
1 |
0 |
0 |
0.006 |
104 |
|
S |
5 |
2 |
11841 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13382 |
57.4 |
-0.2 |
0.420 |
1 |
0 |
0 |
0.006 |
| Average: |
57.7 |
-0.2 |
0.442 |
1 |
0 |
0 |
0.006 |
| 59 |
105 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
10309 |
57.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| 60 |
106 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12840 |
56.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.145 |
107 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
6 |
2 |
12852 |
56.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.145 |
| Average: |
56.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.145 |
| 61 |
108 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
13 |
7 |
9949 |
52.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.181 |
| 62 |
109 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
11 |
6 |
12049 |
51.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.279 |
| 63 |
110 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
12840 |
50.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.162 |
| 64 |
111 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9587 |
49.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.241 |
| 65 |
112 |
|
[MG]N:202 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
13736 |
44.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.163 |
| 66 |
113 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
7 |
5 |
10436 |
41.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.158 |
114 |
|
[MG]I:302 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
7 |
6 |
10464 |
41.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.158 |
| Average: |
41.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.158 |
| 67 |
115 |
|
[MG]L:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
10 |
7 |
13730 |
41.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.272 |
| 68 |
116 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
6 |
4 |
9587 |
38.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.050 |
| 69 |
117 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13736 |
34.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.030 |
118 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13730 |
34.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
34.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 70 |
119 |
|
[MG]K:302 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9948 |
28.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.045 |
120 |
|
[MG]I:302 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
9949 |
26.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
27.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| 71 |
121 |
|
[MG]L:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12069 |
28.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.118 |
| 72 |
122 |
|
R |
4 |
1 |
12242 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13382 |
25.3 |
0.2 |
0.647 |
0 |
0 |
0 |
0.004 |
123 |
|
D |
4 |
1 |
12254 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13396 |
23.9 |
0.2 |
0.670 |
1 |
0 |
0 |
0.004 |
| Average: |
24.6 |
0.2 |
0.658 |
1 |
0 |
0 |
0.004 |
| 73 |
124 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12657 |
22.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.092 |
| 74 |
125 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
3 |
2 |
10464 |
20.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 75 |
126 |
|
[MG]J:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
9949 |
18.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 76 |
127 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13736 |
13.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 77 |
128 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13382 |
10.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
129 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13396 |
8.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
9.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| 78 |
130 |
|
S |
1 |
1 |
11841 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12949 |
0.7 |
0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
|