| ## |
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 |
160 |
48 |
24886 |
◊ |
H |
x,y,z |
1_555 |
155 |
43 |
24954 |
1487.7 |
-18.4 |
0.093 |
18 |
13 |
0 |
0.572 |
2 |
|
B |
155 |
45 |
24531 |
◊ |
A |
x,y,z |
1_555 |
159 |
44 |
24942 |
1444.1 |
-17.4 |
0.120 |
20 |
12 |
0 |
0.572 |
3 |
|
Z |
158 |
49 |
24766 |
◊ |
a |
x,y,z |
1_555 |
156 |
44 |
24722 |
1422.7 |
-17.2 |
0.111 |
14 |
12 |
0 |
0.572 |
4 |
|
Q |
146 |
42 |
24694 |
◊ |
P |
x,y,z |
1_555 |
156 |
45 |
24910 |
1401.4 |
-15.5 |
0.193 |
17 |
11 |
0 |
0.572 |
5 |
|
P |
138 |
42 |
24910 |
◊ |
O |
x,y,z |
1_555 |
151 |
43 |
25203 |
1382.0 |
-17.8 |
0.108 |
16 |
11 |
0 |
0.572 |
6 |
|
J |
144 |
45 |
25003 |
◊ |
I |
x,y,z |
1_555 |
148 |
45 |
24332 |
1377.8 |
-15.7 |
0.153 |
20 |
10 |
0 |
0.572 |
7 |
|
V |
147 |
45 |
25236 |
◊ |
b |
x,y,z |
1_555 |
149 |
40 |
22874 |
1372.6 |
-18.1 |
0.171 |
17 |
8 |
0 |
0.572 |
8 |
|
Z |
149 |
42 |
24766 |
◊ |
Y |
x,y,z |
1_555 |
146 |
46 |
24868 |
1361.3 |
-15.4 |
0.121 |
15 |
10 |
0 |
0.572 |
9 |
|
U |
138 |
38 |
24471 |
◊ |
T |
x,y,z |
1_555 |
144 |
40 |
24412 |
1339.0 |
-14.2 |
0.183 |
19 |
13 |
0 |
0.572 |
10 |
|
G |
133 |
39 |
24608 |
◊ |
F |
x,y,z |
1_555 |
151 |
45 |
24919 |
1319.2 |
-15.6 |
0.204 |
20 |
14 |
0 |
0.572 |
11 |
|
F |
140 |
42 |
24919 |
◊ |
E |
x,y,z |
1_555 |
154 |
42 |
24771 |
1318.5 |
-16.5 |
0.127 |
16 |
8 |
0 |
0.572 |
12 |
|
S |
140 |
42 |
24284 |
◊ |
R |
x,y,z |
1_555 |
147 |
45 |
24704 |
1304.8 |
-16.9 |
0.107 |
15 |
10 |
0 |
0.572 |
13 |
|
T |
131 |
39 |
24412 |
◊ |
S |
x,y,z |
1_555 |
140 |
44 |
24284 |
1302.5 |
-12.6 |
0.274 |
15 |
12 |
0 |
0.572 |
14 |
|
I |
131 |
41 |
24332 |
◊ |
H |
x,y,z |
1_555 |
136 |
41 |
24954 |
1300.5 |
-15.5 |
0.098 |
20 |
9 |
0 |
0.572 |
15 |
|
E |
140 |
40 |
24771 |
◊ |
D |
x,y,z |
1_555 |
141 |
42 |
24815 |
1291.5 |
-16.8 |
0.129 |
15 |
10 |
0 |
0.572 |
16 |
|
G |
136 |
43 |
24608 |
◊ |
A |
x,y,z |
1_555 |
134 |
38 |
24942 |
1285.2 |
-12.3 |
0.313 |
20 |
10 |
0 |
0.572 |
17 |
|
N |
133 |
39 |
24886 |
◊ |
M |
x,y,z |
1_555 |
137 |
40 |
23409 |
1270.8 |
-14.8 |
0.234 |
15 |
9 |
0 |
0.572 |
18 |
|
D |
128 |
38 |
24815 |
◊ |
C |
x,y,z |
1_555 |
140 |
40 |
23393 |
1269.6 |
-15.4 |
0.141 |
17 |
9 |
0 |
0.572 |
19 |
|
X |
131 |
39 |
25161 |
◊ |
W |
x,y,z |
1_555 |
141 |
44 |
24410 |
1267.1 |
-14.4 |
0.208 |
15 |
11 |
0 |
0.572 |
20 |
|
R |
134 |
43 |
24704 |
◊ |
Q |
x,y,z |
1_555 |
141 |
42 |
24694 |
1248.5 |
-15.6 |
0.176 |
18 |
12 |
0 |
0.572 |
21 |
|
Y |
130 |
38 |
24868 |
◊ |
X |
x,y,z |
1_555 |
130 |
40 |
25161 |
1225.5 |
-14.5 |
0.147 |
17 |
12 |
0 |
0.572 |
22 |
|
C |
121 |
34 |
23393 |
◊ |
B |
x,y,z |
1_555 |
128 |
37 |
24531 |
1196.4 |
-12.9 |
0.235 |
19 |
10 |
0 |
0.572 |
23 |
|
W |
122 |
35 |
24410 |
◊ |
V |
x,y,z |
1_555 |
131 |
36 |
25236 |
1173.0 |
-16.6 |
0.101 |
14 |
9 |
0 |
0.572 |
24 |
|
U |
126 |
37 |
24471 |
◊ |
O |
x,y,z |
1_555 |
125 |
39 |
25203 |
1145.5 |
-12.0 |
0.298 |
16 |
11 |
0 |
0.572 |
25 |
|
K |
116 |
33 |
23211 |
◊ |
J |
x,y,z |
1_555 |
120 |
33 |
25003 |
1132.4 |
-12.3 |
0.352 |
15 |
10 |
0 |
0.572 |
26 |
|
L |
116 |
34 |
24496 |
◊ |
K |
x,y,z |
1_555 |
115 |
33 |
23211 |
1104.6 |
-13.9 |
0.327 |
15 |
9 |
0 |
0.572 |
27 |
|
M |
114 |
31 |
23409 |
◊ |
L |
x,y,z |
1_555 |
120 |
33 |
24496 |
1099.8 |
-14.0 |
0.249 |
15 |
11 |
0 |
0.572 |
28 |
|
b |
119 |
32 |
22874 |
◊ |
a |
x,y,z |
1_555 |
113 |
30 |
24722 |
1096.0 |
-11.8 |
0.307 |
14 |
8 |
0 |
0.572 |
| Average: |
1283.6 |
-15.1 |
0.189 |
17 |
11 |
0 |
0.572 |
| 2 |
29 |
|
O |
56 |
21 |
25203 |
◊ |
R |
x-1,y,z |
1_455 |
49 |
15 |
24704 |
483.2 |
4.1 |
0.944 |
9 |
2 |
0 |
0.000 |
| 3 |
30 |
|
B |
59 |
17 |
24531 |
◊ |
F |
x-1,y,z |
1_455 |
42 |
15 |
24919 |
455.6 |
1.2 |
0.834 |
7 |
4 |
0 |
0.000 |
| 4 |
31 |
|
I |
35 |
14 |
24332 |
◊ |
Q |
x-1,y+1,z-1 |
1_464 |
47 |
14 |
24694 |
340.3 |
5.6 |
0.971 |
7 |
1 |
0 |
0.000 |
| 5 |
32 |
|
U |
31 |
11 |
24471 |
◊ |
a |
x,y,z |
1_555 |
31 |
11 |
24722 |
275.1 |
-0.2 |
0.682 |
0 |
1 |
0 |
0.015 |
33 |
|
L |
31 |
9 |
24496 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
24942 |
255.7 |
0.5 |
0.775 |
2 |
2 |
0 |
0.015 |
34 |
|
I |
33 |
10 |
24332 |
◊ |
D |
x,y,z |
1_555 |
26 |
10 |
24815 |
240.3 |
-0.4 |
0.653 |
1 |
3 |
0 |
0.015 |
35 |
|
K |
28 |
9 |
23211 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
24531 |
239.0 |
0.3 |
0.781 |
1 |
3 |
0 |
0.015 |
36 |
|
M |
29 |
9 |
23409 |
◊ |
G |
x,y,z |
1_555 |
30 |
9 |
24608 |
236.9 |
-0.3 |
0.711 |
2 |
3 |
0 |
0.015 |
37 |
|
N |
30 |
9 |
24886 |
◊ |
F |
x,y,z |
1_555 |
29 |
10 |
24919 |
236.5 |
-0.3 |
0.687 |
1 |
2 |
0 |
0.015 |
38 |
|
H |
28 |
10 |
24954 |
◊ |
E |
x,y,z |
1_555 |
29 |
10 |
24771 |
234.2 |
-0.8 |
0.599 |
2 |
2 |
0 |
0.015 |
39 |
|
J |
30 |
10 |
25003 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
23393 |
233.7 |
-0.7 |
0.679 |
1 |
4 |
0 |
0.015 |
40 |
|
T |
28 |
9 |
24412 |
◊ |
b |
x,y,z |
1_555 |
30 |
11 |
22874 |
232.5 |
-0.7 |
0.680 |
2 |
2 |
0 |
0.015 |
41 |
|
X |
30 |
10 |
25161 |
◊ |
Q |
x,y,z |
1_555 |
26 |
10 |
24694 |
229.7 |
-0.7 |
0.639 |
2 |
2 |
0 |
0.015 |
42 |
|
V |
29 |
9 |
25236 |
◊ |
S |
x,y,z |
1_555 |
28 |
9 |
24284 |
222.1 |
-0.5 |
0.660 |
2 |
2 |
0 |
0.015 |
43 |
|
Y |
30 |
10 |
24868 |
◊ |
P |
x,y,z |
1_555 |
30 |
11 |
24910 |
220.2 |
-0.6 |
0.623 |
1 |
1 |
0 |
0.015 |
44 |
|
Z |
27 |
10 |
24766 |
◊ |
O |
x,y,z |
1_555 |
33 |
10 |
25203 |
216.7 |
-0.7 |
0.636 |
1 |
1 |
0 |
0.015 |
45 |
|
W |
29 |
9 |
24410 |
◊ |
R |
x,y,z |
1_555 |
30 |
10 |
24704 |
214.9 |
0.4 |
0.755 |
3 |
2 |
0 |
0.015 |
| Average: |
234.8 |
-0.3 |
0.683 |
2 |
2 |
0 |
0.015 |
| 6 |
46 |
|
E |
33 |
9 |
24771 |
◊ |
P |
x,y,z-1 |
1_554 |
26 |
10 |
24910 |
265.6 |
-0.3 |
0.624 |
2 |
0 |
0 |
0.000 |
| 7 |
47 |
|
Y |
29 |
9 |
24868 |
◊ |
U |
x,y-1,z |
1_545 |
23 |
12 |
24471 |
265.4 |
-0.7 |
0.438 |
1 |
0 |
0 |
0.000 |
48 |
|
B |
16 |
9 |
24531 |
◊ |
I |
x,y-1,z |
1_545 |
21 |
5 |
24332 |
158.0 |
-2.7 |
0.245 |
0 |
0 |
0 |
0.000 |
| Average: |
211.7 |
-1.7 |
0.341 |
1 |
0 |
0 |
0.000 |
| 8 |
49 |
|
A |
37 |
14 |
24942 |
◊ |
b |
x-1,y,z |
1_455 |
36 |
14 |
22874 |
258.9 |
3.5 |
0.929 |
3 |
0 |
0 |
0.000 |
| 9 |
50 |
|
W |
28 |
9 |
24410 |
◊ |
T |
x,y-1,z |
1_545 |
36 |
11 |
24412 |
246.7 |
-1.6 |
0.568 |
1 |
0 |
0 |
0.000 |
| 10 |
51 |
|
a |
28 |
7 |
24722 |
◊ |
M |
x,y-1,z |
1_545 |
21 |
10 |
23409 |
215.9 |
-2.5 |
0.388 |
0 |
0 |
0 |
0.000 |
| 11 |
52 |
|
K |
23 |
8 |
23211 |
◊ |
T |
x-1,y,z |
1_455 |
20 |
7 |
24412 |
194.6 |
-1.9 |
0.366 |
1 |
0 |
0 |
0.000 |
| 12 |
53 |
|
G |
25 |
9 |
24608 |
◊ |
a |
x,y,z |
1_555 |
25 |
12 |
24722 |
192.2 |
1.0 |
0.785 |
1 |
2 |
0 |
0.000 |
| 13 |
54 |
|
T |
16 |
7 |
24412 |
◊ |
a |
x,y,z |
1_555 |
16 |
7 |
24722 |
178.5 |
-2.8 |
0.225 |
1 |
1 |
0 |
0.041 |
55 |
|
S |
17 |
7 |
24284 |
◊ |
b |
x,y,z |
1_555 |
16 |
6 |
22874 |
171.0 |
-3.9 |
0.141 |
0 |
0 |
0 |
0.041 |
56 |
|
M |
16 |
6 |
23409 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
24919 |
169.1 |
-3.4 |
0.173 |
0 |
0 |
0 |
0.041 |
57 |
|
I |
17 |
6 |
24332 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
23393 |
161.0 |
-3.6 |
0.142 |
0 |
0 |
0 |
0.041 |
58 |
|
K |
14 |
6 |
23211 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
24942 |
152.8 |
-3.0 |
0.208 |
1 |
1 |
0 |
0.041 |
59 |
|
J |
14 |
6 |
25003 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
24531 |
151.7 |
-2.9 |
0.206 |
0 |
0 |
0 |
0.041 |
60 |
|
V |
15 |
6 |
25236 |
◊ |
R |
x,y,z |
1_555 |
16 |
7 |
24704 |
151.7 |
-3.4 |
0.165 |
0 |
0 |
0 |
0.041 |
61 |
|
Y |
12 |
4 |
24868 |
◊ |
O |
x,y,z |
1_555 |
13 |
5 |
25203 |
148.0 |
-4.1 |
0.057 |
0 |
0 |
0 |
0.041 |
62 |
|
W |
15 |
6 |
24410 |
◊ |
Q |
x,y,z |
1_555 |
14 |
6 |
24694 |
147.4 |
-3.6 |
0.116 |
0 |
0 |
0 |
0.041 |
63 |
|
X |
14 |
6 |
25161 |
◊ |
P |
x,y,z |
1_555 |
14 |
6 |
24910 |
146.6 |
-3.5 |
0.116 |
0 |
0 |
0 |
0.041 |
64 |
|
L |
13 |
5 |
24496 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
24608 |
142.7 |
-3.6 |
0.122 |
0 |
0 |
0 |
0.041 |
65 |
|
N |
15 |
4 |
24886 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
24771 |
138.1 |
-3.7 |
0.117 |
0 |
0 |
0 |
0.041 |
66 |
|
Z |
13 |
5 |
24766 |
◊ |
U |
x,y,z |
1_555 |
14 |
5 |
24471 |
135.6 |
-3.8 |
0.082 |
0 |
0 |
0 |
0.041 |
67 |
|
H |
14 |
5 |
24954 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
24815 |
134.9 |
-3.6 |
0.109 |
0 |
0 |
0 |
0.041 |
| Average: |
152.1 |
-3.5 |
0.141 |
0 |
0 |
0 |
0.041 |
| 14 |
68 |
|
P |
21 |
9 |
24910 |
◊ |
H |
x,y-1,z+1 |
1_546 |
20 |
8 |
24954 |
163.4 |
1.4 |
0.807 |
1 |
1 |
0 |
0.000 |
| 15 |
69 |
|
Z |
13 |
6 |
24766 |
◊ |
V |
x-1,y,z |
1_455 |
18 |
7 |
25236 |
158.9 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
| 16 |
70 |
|
D |
14 |
4 |
24815 |
◊ |
R |
x-1,y,z-1 |
1_454 |
14 |
5 |
24704 |
117.4 |
-2.3 |
0.266 |
0 |
0 |
0 |
0.000 |
| 17 |
71 |
|
U |
13 |
5 |
24471 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
24496 |
116.0 |
-0.6 |
0.558 |
1 |
0 |
0 |
0.000 |
| 18 |
72 |
|
[SO4]C:601 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
23393 |
111.9 |
-16.5 |
0.743 |
6 |
0 |
0 |
0.100 |
| 19 |
73 |
|
[SO4]E:601 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
20 |
10 |
24771 |
110.5 |
-16.6 |
0.721 |
8 |
0 |
0 |
0.100 |
| 20 |
74 |
|
[SO4]A:601 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
24942 |
110.0 |
-15.2 |
0.823 |
3 |
0 |
0 |
0.074 |
| 21 |
75 |
|
[SO4]Z:601 |
5 |
1 |
186 |
f |
Z |
x,y,z |
1_555 |
18 |
11 |
24766 |
109.8 |
-16.1 |
0.797 |
4 |
0 |
0 |
0.079 |
| 22 |
76 |
|
[SO4]Y:601 |
5 |
1 |
186 |
f |
Y |
x,y,z |
1_555 |
18 |
10 |
24868 |
108.8 |
-16.5 |
0.781 |
5 |
0 |
0 |
0.079 |
| 23 |
77 |
|
[SO4]J:601 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
17 |
9 |
25003 |
108.5 |
-16.5 |
0.718 |
5 |
0 |
0 |
0.079 |
| 24 |
78 |
|
[SO4]R:602 |
5 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
16 |
9 |
24704 |
108.3 |
-17.0 |
0.709 |
5 |
0 |
0 |
0.122 |
79 |
|
[SO4]T:602 |
5 |
1 |
185 |
f |
T |
x,y,z |
1_555 |
18 |
10 |
24412 |
107.3 |
-16.4 |
0.802 |
4 |
0 |
0 |
0.122 |
| Average: |
107.8 |
-16.7 |
0.756 |
5 |
0 |
0 |
0.122 |
| 25 |
80 |
|
[SO4]B:601 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
24531 |
108.0 |
-17.3 |
0.703 |
7 |
0 |
0 |
0.081 |
| 26 |
81 |
|
[SO4]K:601 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
17 |
9 |
23211 |
108.0 |
-16.7 |
0.724 |
6 |
0 |
0 |
0.078 |
| 27 |
82 |
|
[SO4]F:601 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
24919 |
107.8 |
-16.0 |
0.812 |
4 |
0 |
0 |
0.081 |
| 28 |
83 |
|
[SO4]G:601 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
16 |
9 |
24608 |
107.0 |
-16.9 |
0.701 |
5 |
0 |
0 |
0.081 |
| 29 |
84 |
|
[SO4]N:601 |
5 |
1 |
184 |
f |
N |
x,y,z |
1_555 |
18 |
10 |
24886 |
106.9 |
-15.7 |
0.808 |
3 |
0 |
0 |
0.100 |
| 30 |
85 |
|
[SO4]L:601 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
17 |
9 |
24496 |
105.7 |
-17.0 |
0.715 |
6 |
0 |
0 |
0.100 |
| 31 |
86 |
|
[SO4]U:601 |
5 |
1 |
184 |
f |
U |
x,y,z |
1_555 |
18 |
11 |
24471 |
105.4 |
-16.3 |
0.684 |
8 |
0 |
0 |
0.085 |
| 32 |
87 |
|
[SO4]a:601 |
5 |
1 |
185 |
f |
a |
x,y,z |
1_555 |
16 |
8 |
24722 |
104.6 |
-16.4 |
0.698 |
5 |
0 |
0 |
0.084 |
| 33 |
88 |
|
[SO4]D:601 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
24815 |
104.6 |
-16.5 |
0.717 |
5 |
0 |
0 |
0.100 |
| 34 |
89 |
|
[SO4]P:601 |
5 |
1 |
185 |
f |
P |
x,y,z |
1_555 |
17 |
10 |
24910 |
104.0 |
-14.8 |
0.801 |
3 |
0 |
0 |
0.079 |
| 35 |
90 |
|
J |
14 |
6 |
25003 |
◊ |
N |
x-1,y,z |
1_455 |
11 |
5 |
24886 |
100.9 |
-1.0 |
0.402 |
0 |
0 |
0 |
0.000 |
| 36 |
91 |
|
[SO4]b:601 |
5 |
1 |
185 |
f |
b |
x,y,z |
1_555 |
18 |
10 |
22874 |
100.8 |
-15.2 |
0.731 |
5 |
0 |
0 |
0.100 |
| 37 |
92 |
|
[SO4]V:602 |
5 |
1 |
186 |
f |
V |
x,y,z |
1_555 |
15 |
8 |
25236 |
100.5 |
-15.2 |
0.780 |
4 |
0 |
0 |
0.059 |
| 38 |
93 |
|
[SO4]M:602 |
5 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
17 |
9 |
23409 |
93.1 |
-12.4 |
0.816 |
1 |
0 |
0 |
0.048 |
| 39 |
94 |
|
X |
18 |
9 |
25161 |
◊ |
E |
x,y-1,z+1 |
1_546 |
12 |
7 |
24771 |
83.3 |
0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
| 40 |
95 |
|
G |
10 |
4 |
24608 |
◊ |
H |
x,y-1,z |
1_545 |
10 |
3 |
24954 |
75.2 |
-1.1 |
0.387 |
1 |
0 |
0 |
0.000 |
| 41 |
96 |
|
a |
11 |
5 |
24722 |
◊ |
N |
x,y-1,z |
1_545 |
9 |
1 |
24886 |
65.6 |
-1.3 |
0.340 |
0 |
0 |
0 |
0.000 |
| 42 |
97 |
|
W |
5 |
2 |
24410 |
◊ |
S |
x,y-1,z |
1_545 |
5 |
3 |
24284 |
55.1 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
| 43 |
98 |
|
[MG]H:601 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
6 |
24954 |
52.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.100 |
99 |
|
[MG]S:601 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
8 |
4 |
24284 |
51.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.100 |
100 |
|
[MG]Q:601 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
6 |
5 |
24694 |
50.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.100 |
101 |
|
[MG]R:601 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
7 |
4 |
24704 |
50.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.100 |
102 |
|
[MG]V:601 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
7 |
5 |
25236 |
50.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
103 |
|
[MG]M:601 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
8 |
6 |
23409 |
48.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.100 |
104 |
|
[MG]T:601 |
1 |
1 |
98 |
f |
T |
x,y,z |
1_555 |
9 |
5 |
24412 |
38.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
48.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 44 |
105 |
|
Y |
7 |
4 |
24868 |
◊ |
D |
x,y-1,z+1 |
1_546 |
7 |
3 |
24815 |
39.3 |
-0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
| 45 |
106 |
|
K |
3 |
2 |
23211 |
◊ |
V |
x-1,y+1,z |
1_465 |
3 |
2 |
25236 |
38.3 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
| 46 |
107 |
|
Y |
5 |
4 |
24868 |
◊ |
V |
x-1,y,z |
1_455 |
6 |
2 |
25236 |
36.0 |
0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
| 47 |
108 |
|
[CA]A:602 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
24942 |
32.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.100 |
109 |
|
[CA]K:602 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
6 |
3 |
23211 |
32.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.100 |
110 |
|
[CA]R:603 |
1 |
1 |
85 |
f |
R |
x,y,z |
1_555 |
5 |
3 |
24704 |
31.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.100 |
111 |
|
[CA]M:603 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
5 |
3 |
23409 |
31.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.100 |
112 |
|
[CA]J:602 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
5 |
3 |
25003 |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.100 |
113 |
|
[CA]Y:602 |
1 |
1 |
85 |
f |
Y |
x,y,z |
1_555 |
5 |
3 |
24868 |
29.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
114 |
|
[CA]V:603 |
1 |
1 |
85 |
f |
V |
x,y,z |
1_555 |
6 |
2 |
25236 |
29.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.100 |
115 |
|
[CA]B:602 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
24531 |
29.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.100 |
116 |
|
[CA]Z:602 |
1 |
1 |
85 |
f |
Z |
x,y,z |
1_555 |
6 |
3 |
24766 |
28.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.100 |
117 |
|
[CA]O:601 |
1 |
1 |
85 |
f |
O |
x,y,z |
1_555 |
5 |
3 |
25203 |
28.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.100 |
118 |
|
[CA]G:602 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
5 |
3 |
24608 |
27.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.100 |
119 |
|
[CA]F:602 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
24919 |
27.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.100 |
120 |
|
[CA]T:603 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
5 |
3 |
24412 |
26.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.100 |
121 |
|
[CA]P:602 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
7 |
3 |
24910 |
25.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.100 |
122 |
|
[CA]a:602 |
1 |
1 |
85 |
f |
a |
x,y,z |
1_555 |
5 |
3 |
24722 |
24.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.100 |
123 |
|
[CA]Q:602 |
1 |
1 |
85 |
f |
Q |
x,y,z |
1_555 |
5 |
3 |
24694 |
23.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.100 |
124 |
|
[CA]U:602 |
1 |
1 |
85 |
f |
U |
x,y,z |
1_555 |
5 |
3 |
24471 |
23.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
125 |
|
[CA]I:601 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
5 |
3 |
24332 |
21.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
28.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 48 |
126 |
|
C |
5 |
3 |
23393 |
◊ |
W |
x-1,y+1,z-1 |
1_464 |
5 |
2 |
24410 |
32.6 |
-0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
| 49 |
127 |
|
Z |
5 |
3 |
24766 |
◊ |
M |
x,y-1,z |
1_545 |
2 |
2 |
23409 |
30.2 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.000 |
| 50 |
128 |
|
A |
3 |
1 |
24942 |
◊ |
I |
x,y-1,z |
1_545 |
3 |
2 |
24332 |
24.6 |
-0.7 |
0.254 |
0 |
0 |
0 |
0.000 |
| 51 |
129 |
|
L |
4 |
3 |
24496 |
◊ |
V |
x-1,y+1,z |
1_465 |
5 |
3 |
25236 |
19.1 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
| 52 |
130 |
|
K |
2 |
1 |
23211 |
◊ |
S |
x-1,y,z |
1_455 |
2 |
1 |
24284 |
19.1 |
-0.6 |
0.239 |
0 |
0 |
0 |
0.000 |
| 53 |
131 |
|
[CA]P:602 |
1 |
1 |
85 |
◊ |
Q |
x,y,z |
1_555 |
3 |
2 |
24694 |
18.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.032 |
132 |
|
[CA]Q:602 |
1 |
1 |
85 |
◊ |
R |
x,y,z |
1_555 |
4 |
3 |
24704 |
17.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.032 |
133 |
|
[CA]Y:602 |
1 |
1 |
85 |
◊ |
Z |
x,y,z |
1_555 |
3 |
2 |
24766 |
14.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.032 |
134 |
|
[CA]R:603 |
1 |
1 |
85 |
◊ |
S |
x,y,z |
1_555 |
2 |
2 |
24284 |
14.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
135 |
|
[CA]G:602 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
24942 |
14.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
136 |
|
[CA]a:602 |
1 |
1 |
85 |
◊ |
b |
x,y,z |
1_555 |
5 |
3 |
22874 |
14.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
137 |
|
[CA]M:603 |
1 |
1 |
85 |
◊ |
N |
x,y,z |
1_555 |
2 |
2 |
24886 |
14.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.032 |
138 |
|
[CA]I:601 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
4 |
3 |
25003 |
13.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
139 |
|
[CA]V:603 |
1 |
1 |
85 |
◊ |
W |
x,y,z |
1_555 |
3 |
2 |
24410 |
12.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
140 |
|
[CA]B:602 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
23393 |
11.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
141 |
|
[CA]J:602 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
23211 |
11.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
142 |
|
[CA]F:602 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
24608 |
10.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.032 |
143 |
|
[CA]T:603 |
1 |
1 |
85 |
◊ |
U |
x,y,z |
1_555 |
1 |
1 |
24471 |
7.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.032 |
144 |
|
[CA]K:602 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
24496 |
7.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.032 |
145 |
|
[CA]Z:602 |
1 |
1 |
85 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
24722 |
6.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
146 |
|
[CA]U:602 |
1 |
1 |
85 |
◊ |
O |
x,y,z |
1_555 |
2 |
2 |
25203 |
6.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.032 |
147 |
|
[CA]A:602 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24531 |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.032 |
148 |
|
[CA]O:601 |
1 |
1 |
85 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
24910 |
3.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
11.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 54 |
149 |
|
L |
1 |
1 |
24496 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
25003 |
13.7 |
-0.4 |
0.232 |
0 |
0 |
0 |
0.002 |
150 |
|
C |
1 |
1 |
23393 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
24942 |
7.6 |
-0.0 |
0.460 |
0 |
0 |
0 |
0.002 |
151 |
|
D |
1 |
1 |
24815 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24531 |
5.5 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.002 |
152 |
|
U |
1 |
1 |
24471 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
24910 |
5.0 |
-0.0 |
0.494 |
0 |
0 |
0 |
0.002 |
153 |
|
W |
1 |
1 |
24410 |
◊ |
b |
x,y,z |
1_555 |
1 |
1 |
22874 |
4.8 |
-0.0 |
0.519 |
0 |
0 |
0 |
0.002 |
154 |
|
K |
1 |
1 |
23211 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
24332 |
4.2 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.002 |
155 |
|
Z |
2 |
1 |
24766 |
◊ |
b |
x,y,z |
1_555 |
1 |
1 |
22874 |
4.1 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.002 |
156 |
|
J |
1 |
1 |
25003 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
24954 |
3.9 |
-0.0 |
0.530 |
0 |
0 |
0 |
0.002 |
157 |
|
G |
1 |
1 |
24608 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
24771 |
3.2 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.002 |
158 |
|
N |
1 |
1 |
24886 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
24332 |
2.1 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.002 |
159 |
|
F |
1 |
1 |
24919 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
24942 |
1.5 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.002 |
160 |
|
M |
1 |
1 |
23409 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
23211 |
1.3 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.002 |
161 |
|
Q |
1 |
1 |
24694 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
25203 |
0.9 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.002 |
162 |
|
N |
1 |
1 |
24886 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
24496 |
0.7 |
-0.0 |
0.613 |
0 |
0 |
0 |
0.002 |
163 |
|
Z |
1 |
1 |
24766 |
◊ |
X |
x,y,z |
1_555 |
1 |
1 |
25161 |
0.6 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.002 |
164 |
|
G |
1 |
1 |
24608 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24531 |
0.5 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.002 |
165 |
|
S |
1 |
1 |
24284 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
24694 |
0.1 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.002 |
| Average: |
3.5 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.002 |
| 55 |
166 |
|
T |
1 |
1 |
24412 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
23409 |
9.6 |
0.4 |
0.820 |
0 |
0 |
0 |
0.000 |
| 56 |
167 |
|
B |
1 |
1 |
24531 |
◊ |
Q |
x-1,y,z-1 |
1_454 |
1 |
1 |
24694 |
8.8 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
| 57 |
168 |
|
F |
3 |
1 |
24919 |
◊ |
P |
x,y,z-1 |
1_554 |
1 |
1 |
24910 |
7.8 |
-0.2 |
0.388 |
0 |
0 |
0 |
0.000 |
| 58 |
169 |
|
[MG]M:601 |
1 |
1 |
98 |
f |
[SO4]M:602 |
x,y,z |
1_555 |
1 |
1 |
184 |
7.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 59 |
170 |
|
[MG]T:601 |
1 |
1 |
98 |
f |
[SO4]T:602 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 60 |
171 |
|
L |
1 |
1 |
24496 |
◊ |
S |
x-1,y,z |
1_455 |
1 |
1 |
24284 |
4.6 |
0.2 |
0.819 |
0 |
0 |
0 |
0.000 |
| 61 |
172 |
|
X |
2 |
1 |
25161 |
◊ |
T |
x,y-1,z |
1_545 |
1 |
1 |
24412 |
4.1 |
-0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
| 62 |
173 |
|
U |
1 |
1 |
24471 |
◊ |
S |
x,y,z |
1_555 |
1 |
1 |
24284 |
1.1 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| 63 |
174 |
|
C |
1 |
1 |
23393 |
◊ |
Q |
x-1,y,z-1 |
1_454 |
1 |
1 |
24694 |
0.8 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
|