| ## |
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 |
|
E |
106 |
27 |
7200 |
◊ |
A |
x,y,z |
1_555 |
108 |
27 |
7216 |
1032.0 |
-10.1 |
0.320 |
10 |
0 |
0 |
1.000 |
2 |
|
F |
109 |
29 |
7132 |
◊ |
D |
x,y,z |
1_555 |
101 |
27 |
7292 |
988.7 |
-8.3 |
0.387 |
13 |
0 |
0 |
1.000 |
3 |
|
C |
106 |
27 |
7107 |
◊ |
B |
x,y,z |
1_555 |
101 |
26 |
7249 |
984.7 |
-9.5 |
0.433 |
12 |
0 |
0 |
1.000 |
4 |
|
J |
105 |
27 |
7218 |
◊ |
I |
x,y,z |
1_555 |
102 |
25 |
6989 |
972.5 |
-9.5 |
0.369 |
9 |
0 |
0 |
1.000 |
5 |
|
N |
91 |
27 |
7152 |
◊ |
M |
x,y,z |
1_555 |
95 |
25 |
6980 |
909.4 |
-7.6 |
0.381 |
11 |
0 |
0 |
1.000 |
6 |
|
H |
97 |
27 |
7234 |
◊ |
G |
x,y,z |
1_555 |
98 |
25 |
7101 |
896.4 |
-8.9 |
0.337 |
5 |
0 |
0 |
1.000 |
7 |
|
L |
90 |
27 |
7222 |
◊ |
K |
x,y,z |
1_555 |
88 |
24 |
7072 |
881.1 |
-5.8 |
0.434 |
13 |
0 |
0 |
1.000 |
8 |
|
P |
86 |
26 |
7262 |
◊ |
O |
x,y,z |
1_555 |
88 |
23 |
6855 |
852.0 |
-5.2 |
0.474 |
11 |
0 |
0 |
1.000 |
| Average: |
939.6 |
-8.1 |
0.392 |
11 |
0 |
0 |
1.000 |
| 2 |
9 |
|
R |
87 |
26 |
6116 |
◊ |
C |
x,y,z |
1_555 |
73 |
23 |
7107 |
764.2 |
1.4 |
0.928 |
25 |
6 |
0 |
0.524 |
10 |
|
X |
85 |
26 |
6737 |
◊ |
O |
x,y,z |
1_555 |
78 |
23 |
6855 |
763.1 |
0.4 |
0.831 |
30 |
9 |
0 |
0.524 |
11 |
|
U |
82 |
26 |
6364 |
◊ |
I |
x,y,z |
1_555 |
77 |
23 |
6989 |
738.1 |
3.3 |
0.933 |
26 |
7 |
0 |
0.524 |
12 |
|
V |
78 |
24 |
6937 |
◊ |
K |
x,y,z |
1_555 |
73 |
23 |
7072 |
737.3 |
3.4 |
0.919 |
26 |
7 |
0 |
0.524 |
13 |
|
S |
81 |
25 |
6993 |
◊ |
D |
x,y,z |
1_555 |
76 |
23 |
7292 |
722.0 |
2.5 |
0.873 |
24 |
8 |
0 |
0.524 |
14 |
|
T |
76 |
25 |
6934 |
◊ |
G |
x,y,z |
1_555 |
73 |
23 |
7101 |
720.7 |
1.8 |
0.879 |
25 |
7 |
0 |
0.524 |
15 |
|
W |
75 |
23 |
6981 |
◊ |
M |
x,y,z |
1_555 |
74 |
23 |
6980 |
714.2 |
2.4 |
0.908 |
26 |
7 |
0 |
0.524 |
16 |
|
Q |
76 |
24 |
6826 |
◊ |
A |
x,y,z |
1_555 |
68 |
23 |
7216 |
704.5 |
2.8 |
0.872 |
24 |
9 |
0 |
0.524 |
| Average: |
733.0 |
2.3 |
0.893 |
26 |
8 |
0 |
0.524 |
| 3 |
17 |
|
N |
65 |
19 |
7152 |
◊ |
C |
x,y,z |
1_555 |
52 |
12 |
7107 |
573.4 |
-5.3 |
0.405 |
6 |
0 |
0 |
0.226 |
18 |
|
J |
61 |
18 |
7218 |
◊ |
D |
x,y,z |
1_555 |
60 |
14 |
7292 |
570.9 |
-4.7 |
0.413 |
7 |
0 |
0 |
0.226 |
19 |
|
P |
57 |
16 |
7262 |
◊ |
A |
x,y,z |
1_555 |
59 |
14 |
7216 |
552.3 |
-5.1 |
0.269 |
5 |
0 |
0 |
0.226 |
20 |
|
L |
57 |
17 |
7222 |
◊ |
G |
x,y,z |
1_555 |
55 |
14 |
7101 |
549.7 |
-5.1 |
0.339 |
5 |
0 |
0 |
0.226 |
21 |
|
K |
62 |
14 |
7072 |
◊ |
H |
x,y,z |
1_555 |
57 |
17 |
7234 |
546.9 |
-5.5 |
0.305 |
6 |
0 |
0 |
0.226 |
22 |
|
O |
58 |
14 |
6855 |
◊ |
E |
x,y,z |
1_555 |
61 |
17 |
7200 |
539.9 |
-5.8 |
0.322 |
5 |
0 |
0 |
0.226 |
23 |
|
I |
58 |
13 |
6989 |
◊ |
F |
x,y,z |
1_555 |
57 |
16 |
7132 |
526.6 |
-6.2 |
0.291 |
5 |
0 |
0 |
0.226 |
24 |
|
M |
58 |
14 |
6980 |
◊ |
B |
x,y,z |
1_555 |
56 |
17 |
7249 |
518.1 |
-5.7 |
0.357 |
4 |
0 |
0 |
0.226 |
| Average: |
547.2 |
-5.4 |
0.338 |
5 |
0 |
0 |
0.226 |
| 4 |
25 |
|
I |
50 |
13 |
6989 |
◊ |
G |
x,y,z |
1_555 |
45 |
13 |
7101 |
454.3 |
-6.6 |
0.180 |
1 |
0 |
0 |
0.009 |
26 |
|
A |
47 |
13 |
7216 |
◊ |
M |
x,y,z-1 |
1_554 |
46 |
12 |
6980 |
448.4 |
-6.9 |
0.155 |
1 |
0 |
0 |
0.009 |
27 |
|
D |
46 |
13 |
7292 |
◊ |
K |
x,y,z-1 |
1_554 |
45 |
13 |
7072 |
445.1 |
-7.1 |
0.105 |
0 |
0 |
0 |
0.009 |
28 |
|
O |
44 |
13 |
6855 |
◊ |
C |
x,y,z |
1_555 |
43 |
12 |
7107 |
435.9 |
-7.0 |
0.154 |
1 |
0 |
0 |
0.009 |
| Average: |
445.9 |
-6.9 |
0.148 |
1 |
0 |
0 |
0.009 |
| 5 |
29 |
|
V |
36 |
12 |
6937 |
◊ |
Q |
x,y-1,z+1 |
1_546 |
38 |
12 |
6826 |
379.5 |
-3.8 |
0.366 |
2 |
0 |
0 |
0.000 |
| 6 |
30 |
|
V |
42 |
15 |
6937 |
◊ |
S |
x-1,y,z+1 |
1_456 |
35 |
13 |
6993 |
376.9 |
-3.8 |
0.397 |
3 |
2 |
0 |
0.000 |
31 |
|
U |
31 |
13 |
6364 |
◊ |
T |
x-1,y,z |
1_455 |
37 |
14 |
6934 |
343.4 |
-4.7 |
0.257 |
1 |
2 |
0 |
0.000 |
| Average: |
360.1 |
-4.2 |
0.327 |
2 |
2 |
0 |
0.000 |
| 7 |
32 |
|
T |
35 |
11 |
6934 |
◊ |
W |
x,y-1,z |
1_545 |
36 |
11 |
6981 |
376.4 |
-4.6 |
0.308 |
2 |
0 |
0 |
0.000 |
33 |
|
S |
30 |
9 |
6993 |
◊ |
X |
x,y-1,z |
1_545 |
28 |
10 |
6737 |
303.9 |
-2.8 |
0.431 |
3 |
0 |
0 |
0.000 |
| Average: |
340.1 |
-3.7 |
0.370 |
3 |
0 |
0 |
0.000 |
| 8 |
34 |
|
G |
39 |
15 |
7101 |
◊ |
B |
x,y,z |
1_555 |
28 |
5 |
7249 |
326.6 |
-1.8 |
0.529 |
4 |
2 |
0 |
0.031 |
35 |
|
E |
26 |
5 |
7200 |
◊ |
D |
x,y,z |
1_555 |
39 |
15 |
7292 |
318.3 |
-1.4 |
0.543 |
6 |
0 |
0 |
0.031 |
36 |
|
O |
34 |
14 |
6855 |
◊ |
J |
x,y,z |
1_555 |
25 |
5 |
7218 |
308.6 |
-1.7 |
0.534 |
3 |
0 |
0 |
0.031 |
37 |
|
M |
37 |
14 |
6980 |
◊ |
L |
x,y,z |
1_555 |
28 |
5 |
7222 |
302.6 |
-1.3 |
0.577 |
3 |
0 |
0 |
0.031 |
| Average: |
314.0 |
-1.6 |
0.546 |
4 |
1 |
0 |
0.031 |
| 9 |
38 |
|
P |
25 |
5 |
7262 |
◊ |
I |
x,y,z |
1_555 |
37 |
13 |
6989 |
300.0 |
-0.2 |
0.656 |
4 |
0 |
0 |
0.015 |
39 |
|
H |
27 |
5 |
7234 |
◊ |
C |
x,y,z |
1_555 |
38 |
14 |
7107 |
293.2 |
-0.2 |
0.694 |
2 |
0 |
0 |
0.015 |
40 |
|
F |
23 |
5 |
7132 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
7216 |
251.2 |
0.6 |
0.729 |
5 |
0 |
0 |
0.015 |
41 |
|
N |
19 |
5 |
7152 |
◊ |
K |
x,y,z |
1_555 |
27 |
11 |
7072 |
216.6 |
-0.2 |
0.581 |
3 |
0 |
0 |
0.015 |
| Average: |
265.2 |
0.0 |
0.665 |
4 |
0 |
0 |
0.015 |
| 10 |
42 |
|
L |
26 |
11 |
7222 |
◊ |
H |
x,y,z |
1_555 |
26 |
11 |
7234 |
261.4 |
-6.1 |
0.099 |
0 |
0 |
0 |
0.062 |
43 |
|
N |
26 |
12 |
7152 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
7249 |
251.0 |
-5.3 |
0.179 |
0 |
0 |
0 |
0.062 |
44 |
|
P |
25 |
10 |
7262 |
◊ |
E |
x,y,z |
1_555 |
24 |
11 |
7200 |
226.3 |
-5.8 |
0.082 |
0 |
0 |
0 |
0.062 |
45 |
|
J |
21 |
8 |
7218 |
◊ |
F |
x,y,z |
1_555 |
22 |
9 |
7132 |
223.1 |
-5.8 |
0.084 |
0 |
0 |
0 |
0.062 |
| Average: |
240.5 |
-5.7 |
0.111 |
0 |
0 |
0 |
0.062 |
| 11 |
46 |
|
Q |
21 |
6 |
6826 |
◊ |
W |
x-1,y,z-1 |
1_454 |
17 |
7 |
6981 |
178.5 |
-0.8 |
0.502 |
1 |
0 |
0 |
0.000 |
| 12 |
47 |
|
Q |
20 |
8 |
6826 |
◊ |
P |
x,y,z |
1_555 |
16 |
3 |
7262 |
167.9 |
0.2 |
0.670 |
3 |
0 |
0 |
0.011 |
| 13 |
48 |
|
V |
17 |
8 |
6937 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
7234 |
158.0 |
0.0 |
0.684 |
1 |
0 |
0 |
0.027 |
49 |
|
U |
18 |
8 |
6364 |
◊ |
F |
x,y,z |
1_555 |
13 |
3 |
7132 |
151.0 |
0.2 |
0.727 |
1 |
1 |
0 |
0.027 |
50 |
|
T |
15 |
7 |
6934 |
◊ |
L |
x,y,z |
1_555 |
12 |
3 |
7222 |
140.1 |
-0.5 |
0.590 |
1 |
0 |
0 |
0.027 |
51 |
|
S |
18 |
7 |
6993 |
◊ |
J |
x,y,z |
1_555 |
11 |
2 |
7218 |
139.0 |
-0.2 |
0.637 |
1 |
0 |
0 |
0.027 |
52 |
|
R |
17 |
7 |
6116 |
◊ |
N |
x,y,z |
1_555 |
12 |
2 |
7152 |
136.2 |
0.4 |
0.773 |
1 |
0 |
0 |
0.027 |
53 |
|
X |
16 |
7 |
6737 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
7200 |
129.7 |
-0.8 |
0.591 |
1 |
0 |
0 |
0.027 |
54 |
|
W |
13 |
6 |
6981 |
◊ |
B |
x,y,z |
1_555 |
10 |
1 |
7249 |
115.5 |
-1.2 |
0.465 |
1 |
0 |
0 |
0.027 |
| Average: |
138.5 |
-0.3 |
0.638 |
1 |
0 |
0 |
0.027 |
| 14 |
55 |
|
[NAG]W:300 |
13 |
1 |
362 |
cf |
W |
x,y,z |
1_555 |
23 |
7 |
6981 |
157.1 |
4.2 |
0.441 |
2 |
0 |
0 |
0.000 |
56 |
|
[NAG]T:300 |
13 |
1 |
363 |
cf |
T |
x,y,z |
1_555 |
25 |
7 |
6934 |
156.5 |
4.2 |
0.436 |
2 |
0 |
0 |
0.000 |
57 |
|
[NAG]R:300 |
14 |
1 |
363 |
cf |
R |
x,y,z |
1_555 |
24 |
7 |
6116 |
156.2 |
4.2 |
0.406 |
2 |
0 |
0 |
0.000 |
58 |
|
[NAG]Q:300 |
14 |
1 |
363 |
cf |
Q |
x,y,z |
1_555 |
22 |
7 |
6826 |
156.0 |
4.2 |
0.358 |
2 |
0 |
0 |
0.000 |
59 |
|
[NAG]V:300 |
14 |
1 |
362 |
cf |
V |
x,y,z |
1_555 |
23 |
7 |
6937 |
155.3 |
4.2 |
0.414 |
2 |
0 |
0 |
0.000 |
60 |
|
[NAG]S:300 |
13 |
1 |
363 |
cf |
S |
x,y,z |
1_555 |
23 |
7 |
6993 |
153.8 |
4.1 |
0.410 |
1 |
0 |
0 |
0.000 |
61 |
|
[NAG]X:301 |
13 |
1 |
363 |
cf |
X |
x,y,z |
1_555 |
25 |
7 |
6737 |
152.9 |
4.0 |
0.438 |
1 |
0 |
0 |
0.000 |
62 |
|
[NAG]U:300 |
14 |
1 |
362 |
cf |
U |
x,y,z |
1_555 |
23 |
7 |
6364 |
150.5 |
4.2 |
0.398 |
2 |
0 |
0 |
0.000 |
| Average: |
154.8 |
4.2 |
0.413 |
2 |
0 |
0 |
0.000 |
| 15 |
63 |
|
D |
13 |
5 |
7292 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
7216 |
129.4 |
-1.6 |
0.352 |
0 |
0 |
0 |
0.016 |
64 |
|
O |
6 |
3 |
6855 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
6989 |
104.1 |
-1.3 |
0.267 |
1 |
0 |
0 |
0.016 |
65 |
|
M |
10 |
5 |
6980 |
◊ |
K |
x,y,z |
1_555 |
6 |
3 |
7072 |
84.8 |
-1.3 |
0.259 |
1 |
0 |
0 |
0.016 |
66 |
|
G |
8 |
5 |
7101 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
7107 |
84.4 |
-1.7 |
0.211 |
0 |
0 |
0 |
0.016 |
| Average: |
100.7 |
-1.5 |
0.272 |
1 |
0 |
0 |
0.016 |
| 16 |
67 |
|
[SO4]R:301 |
5 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
16 |
8 |
6116 |
103.3 |
-15.1 |
0.850 |
2 |
0 |
0 |
0.451 |
| 17 |
68 |
|
[SO4]X:302 |
5 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
16 |
8 |
6737 |
102.9 |
-15.2 |
0.852 |
3 |
0 |
0 |
0.607 |
| 18 |
69 |
|
[SO4]T:301 |
5 |
1 |
186 |
f |
T |
x,y,z |
1_555 |
18 |
8 |
6934 |
102.9 |
-14.9 |
0.822 |
2 |
0 |
0 |
0.446 |
| 19 |
70 |
|
[SO4]U:301 |
5 |
1 |
184 |
f |
U |
x,y,z |
1_555 |
16 |
8 |
6364 |
101.6 |
-14.7 |
0.833 |
3 |
0 |
0 |
0.139 |
| 20 |
71 |
|
[SO4]W:301 |
5 |
1 |
186 |
f |
W |
x,y,z |
1_555 |
15 |
7 |
6981 |
100.8 |
-14.8 |
0.828 |
2 |
0 |
0 |
0.157 |
| 21 |
72 |
|
[SO4]S:301 |
5 |
1 |
185 |
f |
S |
x,y,z |
1_555 |
16 |
8 |
6993 |
100.3 |
-14.9 |
0.807 |
2 |
0 |
0 |
0.490 |
| 22 |
73 |
|
[SO4]Q:301 |
5 |
1 |
186 |
f |
Q |
x,y,z |
1_555 |
15 |
7 |
6826 |
99.8 |
-14.5 |
0.782 |
2 |
0 |
0 |
0.148 |
| 23 |
74 |
|
[SO4]V:301 |
5 |
1 |
185 |
f |
V |
x,y,z |
1_555 |
17 |
8 |
6937 |
98.8 |
-14.4 |
0.837 |
2 |
0 |
0 |
0.156 |
| 24 |
75 |
|
U |
10 |
4 |
6364 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
7234 |
76.4 |
-1.1 |
0.398 |
0 |
0 |
0 |
0.000 |
76 |
|
S |
9 |
4 |
6993 |
◊ |
L |
x,y,z-1 |
1_554 |
8 |
4 |
7222 |
66.2 |
-0.7 |
0.488 |
1 |
0 |
0 |
0.000 |
77 |
|
E |
8 |
4 |
7200 |
◊ |
W |
x,y,z-1 |
1_554 |
8 |
3 |
6981 |
45.3 |
-0.7 |
0.463 |
0 |
0 |
0 |
0.000 |
78 |
|
R |
10 |
4 |
6116 |
◊ |
P |
x,y,z |
1_555 |
6 |
4 |
7262 |
36.0 |
-0.7 |
0.434 |
0 |
0 |
0 |
0.000 |
| Average: |
56.0 |
-0.8 |
0.446 |
0 |
0 |
0 |
0.001 |
| 25 |
79 |
|
P |
8 |
5 |
7262 |
◊ |
X |
x-1,y,z |
1_455 |
6 |
2 |
6737 |
58.8 |
-0.4 |
0.419 |
0 |
0 |
0 |
0.000 |
| 26 |
80 |
|
R |
6 |
3 |
6116 |
◊ |
X |
x-1,y,z |
1_455 |
9 |
5 |
6737 |
53.5 |
-1.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| 27 |
81 |
|
H |
3 |
2 |
7234 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7249 |
52.8 |
-2.0 |
0.052 |
0 |
0 |
0 |
0.016 |
82 |
|
F |
3 |
2 |
7132 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
7200 |
52.4 |
-1.2 |
0.185 |
0 |
0 |
0 |
0.016 |
83 |
|
N |
3 |
2 |
7152 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
7222 |
45.8 |
-1.4 |
0.146 |
0 |
0 |
0 |
0.016 |
84 |
|
P |
3 |
2 |
7262 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
7218 |
41.6 |
-1.2 |
0.157 |
0 |
0 |
0 |
0.016 |
| Average: |
48.2 |
-1.5 |
0.135 |
0 |
0 |
0 |
0.016 |
| 28 |
85 |
|
[SO4]D:201 |
4 |
1 |
185 |
f |
S |
x,y,z |
1_555 |
7 |
2 |
6993 |
45.1 |
-5.6 |
0.864 |
1 |
0 |
0 |
0.189 |
| 29 |
86 |
|
[SO4]S:301 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
7218 |
38.8 |
-3.5 |
0.984 |
1 |
0 |
0 |
0.082 |
| 30 |
87 |
|
[SO4]D:201 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7292 |
38.8 |
-3.7 |
0.975 |
2 |
0 |
0 |
0.142 |
| 31 |
88 |
|
[SO4]Q:301 |
3 |
1 |
186 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
7262 |
38.4 |
-4.0 |
0.977 |
2 |
0 |
0 |
0.047 |
| 32 |
89 |
|
[SO4]T:301 |
4 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
7222 |
37.2 |
-3.4 |
0.984 |
2 |
0 |
0 |
0.120 |
| 33 |
90 |
|
[SO4]R:301 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
7152 |
37.2 |
-3.2 |
0.988 |
2 |
0 |
0 |
0.117 |
| 34 |
91 |
|
[SO4]V:301 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
7234 |
35.5 |
-3.4 |
0.988 |
1 |
0 |
0 |
0.039 |
| 35 |
92 |
|
[SO4]U:301 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
7132 |
33.1 |
-2.9 |
0.976 |
1 |
0 |
0 |
0.029 |
| 36 |
93 |
|
H |
4 |
2 |
7234 |
◊ |
L |
x-1,y,z |
1_455 |
4 |
2 |
7222 |
32.4 |
0.8 |
0.819 |
0 |
0 |
0 |
0.000 |
| 37 |
94 |
|
U |
6 |
3 |
6364 |
◊ |
R |
x,y-1,z |
1_545 |
6 |
2 |
6116 |
31.3 |
-0.3 |
0.561 |
0 |
0 |
0 |
0.000 |
| 38 |
95 |
|
[SO4]D:201 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
7218 |
27.3 |
-3.3 |
0.697 |
0 |
0 |
0 |
0.068 |
| 39 |
96 |
|
N |
4 |
2 |
7152 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
7249 |
26.1 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
| 40 |
97 |
|
A |
4 |
2 |
7216 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
3 |
7200 |
26.1 |
-0.5 |
0.384 |
0 |
0 |
0 |
0.000 |
| 41 |
98 |
|
[SO4]X:302 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7200 |
25.5 |
-1.9 |
0.973 |
1 |
0 |
0 |
0.023 |
| 42 |
99 |
|
Q |
3 |
1 |
6826 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
7200 |
20.1 |
0.8 |
0.812 |
0 |
0 |
0 |
0.000 |
| 43 |
100 |
|
F |
4 |
3 |
7132 |
◊ |
J |
x-1,y,z |
1_455 |
4 |
3 |
7218 |
17.0 |
-0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
| 44 |
101 |
|
V |
2 |
1 |
6937 |
◊ |
D |
x-1,y,z+1 |
1_456 |
3 |
1 |
7292 |
14.7 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.000 |
102 |
|
I |
1 |
1 |
6989 |
◊ |
T |
x-1,y,z |
1_455 |
1 |
1 |
6934 |
3.0 |
0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
| Average: |
8.8 |
-0.1 |
0.491 |
0 |
0 |
0 |
0.000 |
| 45 |
103 |
|
X |
3 |
2 |
6737 |
◊ |
R |
x,y,z |
1_555 |
4 |
3 |
6116 |
12.3 |
-0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
| 46 |
104 |
|
Q |
1 |
1 |
6826 |
◊ |
M |
x,y,z-1 |
1_554 |
4 |
1 |
6980 |
9.9 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
| 47 |
105 |
|
S |
1 |
1 |
6993 |
◊ |
V |
x,y,z-1 |
1_554 |
1 |
1 |
6937 |
9.8 |
0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
106 |
|
U |
2 |
1 |
6364 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
6934 |
9.5 |
-0.3 |
0.284 |
0 |
0 |
0 |
0.000 |
| Average: |
9.7 |
-0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
| 48 |
107 |
|
X |
1 |
1 |
6737 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7107 |
3.5 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
108 |
|
T |
1 |
1 |
6934 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
6989 |
1.7 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
109 |
|
D |
1 |
1 |
7292 |
◊ |
V |
x,y,z-1 |
1_554 |
1 |
1 |
6937 |
1.0 |
-0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 49 |
110 |
|
[SO4]W:301 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7249 |
1.3 |
-0.2 |
0.735 |
0 |
0 |
0 |
0.002 |
|