| ## |
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 |
|
D |
154 |
35 |
13229 |
◊ |
C |
x,y,z |
1_555 |
180 |
43 |
13104 |
1603.9 |
-9.6 |
0.236 |
19 |
3 |
0 |
0.499 |
2 |
|
R |
158 |
34 |
13183 |
◊ |
Q |
x,y,z |
1_555 |
179 |
42 |
13137 |
1580.1 |
-9.1 |
0.265 |
18 |
3 |
0 |
0.499 |
| Average: |
1592.0 |
-9.4 |
0.251 |
19 |
3 |
0 |
0.499 |
| 2 |
3 |
|
X |
169 |
47 |
9912 |
◊ |
W |
x,y,z |
1_555 |
156 |
41 |
13045 |
1571.7 |
-14.4 |
0.226 |
26 |
17 |
0 |
0.592 |
4 |
|
J |
166 |
46 |
9904 |
◊ |
I |
x,y,z |
1_555 |
158 |
42 |
13089 |
1555.0 |
-13.9 |
0.239 |
25 |
14 |
0 |
0.592 |
| Average: |
1563.3 |
-14.1 |
0.232 |
26 |
16 |
0 |
0.592 |
| 3 |
5 |
|
Q |
149 |
40 |
13137 |
◊ |
P |
x,y,z |
1_555 |
169 |
43 |
13332 |
1398.9 |
-17.4 |
0.096 |
14 |
1 |
0 |
0.206 |
6 |
|
C |
148 |
39 |
13104 |
◊ |
B |
x,y,z |
1_555 |
162 |
43 |
13417 |
1352.3 |
-16.8 |
0.100 |
15 |
1 |
0 |
0.206 |
| Average: |
1375.6 |
-17.1 |
0.098 |
15 |
1 |
0 |
0.206 |
| 4 |
7 |
|
1 |
150 |
39 |
11890 |
◊ |
I |
x,y,z |
1_555 |
135 |
36 |
13089 |
1388.7 |
-7.3 |
0.398 |
19 |
4 |
0 |
0.392 |
8 |
|
M |
157 |
38 |
11867 |
◊ |
W |
x,y,z |
1_555 |
137 |
36 |
13045 |
1379.4 |
-6.5 |
0.441 |
19 |
4 |
0 |
0.392 |
| Average: |
1384.1 |
-6.9 |
0.419 |
19 |
4 |
0 |
0.392 |
| 5 |
9 |
|
B |
135 |
36 |
13417 |
◊ |
A |
x,y,z |
1_555 |
154 |
39 |
12778 |
1385.9 |
-15.5 |
0.111 |
12 |
2 |
0 |
0.582 |
10 |
|
P |
138 |
37 |
13332 |
◊ |
O |
x,y,z |
1_555 |
153 |
40 |
12782 |
1382.2 |
-15.4 |
0.128 |
14 |
3 |
0 |
0.582 |
| Average: |
1384.1 |
-15.4 |
0.120 |
13 |
3 |
0 |
0.582 |
| 6 |
11 |
|
U |
157 |
39 |
12477 |
◊ |
O |
x,y,z |
1_555 |
135 |
32 |
12782 |
1357.4 |
-12.5 |
0.167 |
20 |
5 |
0 |
0.253 |
12 |
|
G |
154 |
39 |
12460 |
◊ |
A |
x,y,z |
1_555 |
136 |
33 |
12778 |
1342.8 |
-12.8 |
0.150 |
16 |
3 |
0 |
0.253 |
| Average: |
1350.1 |
-12.6 |
0.158 |
18 |
4 |
0 |
0.253 |
| 7 |
13 |
|
U |
149 |
34 |
12477 |
◊ |
T |
x,y,z |
1_555 |
149 |
41 |
11983 |
1325.3 |
-11.7 |
0.169 |
13 |
4 |
0 |
0.247 |
14 |
|
G |
147 |
34 |
12460 |
◊ |
F |
x,y,z |
1_555 |
148 |
39 |
11975 |
1302.0 |
-12.5 |
0.138 |
13 |
4 |
0 |
0.247 |
| Average: |
1313.7 |
-12.1 |
0.154 |
13 |
4 |
0 |
0.247 |
| 8 |
15 |
|
E |
132 |
36 |
12895 |
◊ |
D |
x,y,z |
1_555 |
145 |
39 |
13229 |
1318.1 |
-11.5 |
0.113 |
15 |
2 |
0 |
0.557 |
16 |
|
S |
130 |
36 |
12899 |
◊ |
R |
x,y,z |
1_555 |
144 |
39 |
13183 |
1300.3 |
-11.8 |
0.106 |
14 |
2 |
0 |
0.557 |
| Average: |
1309.2 |
-11.6 |
0.110 |
15 |
2 |
0 |
0.557 |
| 9 |
17 |
|
N |
133 |
30 |
12465 |
◊ |
V |
x,y,z |
1_555 |
142 |
40 |
9865 |
1310.7 |
-6.4 |
0.439 |
24 |
3 |
0 |
0.656 |
18 |
|
2 |
130 |
30 |
12423 |
◊ |
H |
x,y,z |
1_555 |
142 |
41 |
9864 |
1308.2 |
-7.0 |
0.406 |
26 |
3 |
0 |
0.656 |
| Average: |
1309.4 |
-6.7 |
0.422 |
25 |
3 |
0 |
0.656 |
| 10 |
19 |
|
F |
129 |
38 |
11975 |
◊ |
E |
x,y,z |
1_555 |
132 |
39 |
12895 |
1292.3 |
-9.2 |
0.191 |
12 |
4 |
0 |
1.000 |
20 |
|
T |
129 |
38 |
11983 |
◊ |
S |
x,y,z |
1_555 |
132 |
38 |
12899 |
1286.5 |
-9.0 |
0.205 |
11 |
4 |
0 |
1.000 |
| Average: |
1289.4 |
-9.1 |
0.198 |
12 |
4 |
0 |
1.000 |
| 11 |
21 |
|
L |
108 |
28 |
10332 |
◊ |
X |
x,y,z |
1_555 |
102 |
24 |
9912 |
948.0 |
-3.8 |
0.509 |
17 |
5 |
0 |
0.341 |
22 |
|
Z |
106 |
28 |
10334 |
◊ |
J |
x,y,z |
1_555 |
101 |
23 |
9904 |
941.0 |
-3.7 |
0.503 |
17 |
5 |
0 |
0.341 |
| Average: |
944.5 |
-3.8 |
0.506 |
17 |
5 |
0 |
0.341 |
| 12 |
23 |
|
N |
93 |
28 |
12465 |
◊ |
M |
x,y,z |
1_555 |
97 |
29 |
11867 |
940.1 |
0.6 |
0.632 |
15 |
10 |
0 |
0.123 |
24 |
|
2 |
94 |
28 |
12423 |
◊ |
1 |
x,y,z |
1_555 |
98 |
29 |
11890 |
939.5 |
0.9 |
0.650 |
14 |
10 |
0 |
0.123 |
| Average: |
939.8 |
0.8 |
0.641 |
15 |
10 |
0 |
0.123 |
| 13 |
25 |
|
2 |
88 |
23 |
12423 |
◊ |
I |
x,y,z |
1_555 |
91 |
25 |
13089 |
881.0 |
-11.1 |
0.129 |
3 |
2 |
0 |
0.209 |
26 |
|
N |
88 |
23 |
12465 |
◊ |
W |
x,y,z |
1_555 |
94 |
25 |
13045 |
874.2 |
-11.1 |
0.142 |
3 |
2 |
0 |
0.209 |
| Average: |
877.6 |
-11.1 |
0.136 |
3 |
2 |
0 |
0.209 |
| 14 |
27 |
|
L |
85 |
20 |
10332 |
◊ |
Y |
x,y,z |
1_555 |
84 |
20 |
10455 |
788.1 |
-4.2 |
0.354 |
8 |
10 |
0 |
0.176 |
28 |
|
Z |
84 |
20 |
10334 |
◊ |
K |
x,y,z |
1_555 |
85 |
20 |
10469 |
781.5 |
-4.6 |
0.331 |
8 |
9 |
0 |
0.176 |
| Average: |
784.8 |
-4.4 |
0.342 |
8 |
10 |
0 |
0.176 |
| 15 |
29 |
|
M |
75 |
23 |
11867 |
◊ |
L |
x,y,z |
1_555 |
80 |
23 |
10332 |
707.0 |
-2.6 |
0.343 |
14 |
6 |
0 |
0.099 |
30 |
|
1 |
73 |
22 |
11890 |
◊ |
Z |
x,y,z |
1_555 |
80 |
23 |
10334 |
705.5 |
-2.8 |
0.334 |
12 |
6 |
0 |
0.099 |
| Average: |
706.2 |
-2.7 |
0.339 |
13 |
6 |
0 |
0.099 |
| 16 |
31 |
|
W |
64 |
17 |
13045 |
◊ |
P |
x,y,z |
1_555 |
78 |
20 |
13332 |
701.5 |
-3.4 |
0.551 |
9 |
1 |
0 |
0.063 |
32 |
|
I |
63 |
17 |
13089 |
◊ |
B |
x,y,z |
1_555 |
80 |
20 |
13417 |
699.5 |
-3.7 |
0.520 |
9 |
1 |
0 |
0.063 |
| Average: |
700.5 |
-3.5 |
0.535 |
9 |
1 |
0 |
0.063 |
| 17 |
33 |
|
1 |
86 |
21 |
11890 |
◊ |
J |
x,y,z |
1_555 |
84 |
21 |
9904 |
698.0 |
-2.5 |
0.458 |
7 |
5 |
0 |
0.075 |
34 |
|
M |
82 |
19 |
11867 |
◊ |
X |
x,y,z |
1_555 |
87 |
21 |
9912 |
685.2 |
-2.4 |
0.475 |
8 |
5 |
0 |
0.075 |
| Average: |
691.6 |
-2.5 |
0.466 |
8 |
5 |
0 |
0.075 |
| 18 |
35 |
|
Y |
72 |
19 |
10455 |
◊ |
K |
x,y,z |
1_555 |
74 |
19 |
10469 |
668.8 |
-3.1 |
0.378 |
12 |
2 |
0 |
0.046 |
| 19 |
36 |
|
L |
67 |
23 |
10332 |
◊ |
K |
x,y,z |
1_555 |
61 |
18 |
10469 |
644.9 |
-1.4 |
0.522 |
8 |
4 |
0 |
0.058 |
37 |
|
Z |
68 |
23 |
10334 |
◊ |
Y |
x,y,z |
1_555 |
57 |
18 |
10455 |
642.5 |
-1.3 |
0.524 |
8 |
4 |
0 |
0.058 |
| Average: |
643.7 |
-1.4 |
0.523 |
8 |
4 |
0 |
0.058 |
| 20 |
38 |
|
I |
64 |
15 |
13089 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
12778 |
635.7 |
-1.3 |
0.555 |
9 |
12 |
0 |
0.058 |
39 |
|
W |
62 |
16 |
13045 |
◊ |
O |
x,y,z |
1_555 |
67 |
17 |
12782 |
622.4 |
-1.2 |
0.569 |
10 |
10 |
0 |
0.058 |
| Average: |
629.1 |
-1.2 |
0.562 |
10 |
11 |
0 |
0.058 |
| 21 |
40 |
|
V |
68 |
16 |
9865 |
◊ |
H |
x,y,z |
1_555 |
71 |
16 |
9864 |
628.1 |
-4.4 |
0.343 |
10 |
4 |
0 |
0.072 |
| 22 |
41 |
|
I |
65 |
20 |
13089 |
◊ |
H |
x,y,z |
1_555 |
62 |
21 |
9864 |
596.9 |
-3.5 |
0.445 |
10 |
5 |
0 |
0.130 |
42 |
|
W |
63 |
20 |
13045 |
◊ |
V |
x,y,z |
1_555 |
63 |
21 |
9865 |
593.2 |
-3.3 |
0.469 |
10 |
5 |
0 |
0.130 |
| Average: |
595.1 |
-3.4 |
0.457 |
10 |
5 |
0 |
0.130 |
| 23 |
43 |
|
2 |
66 |
20 |
12423 |
◊ |
V |
x,y,z |
1_555 |
58 |
20 |
9865 |
591.1 |
-1.9 |
0.507 |
6 |
1 |
0 |
0.074 |
44 |
|
N |
67 |
20 |
12465 |
◊ |
H |
x,y,z |
1_555 |
61 |
20 |
9864 |
586.7 |
-2.1 |
0.506 |
6 |
2 |
0 |
0.074 |
| Average: |
588.9 |
-2.0 |
0.507 |
6 |
2 |
0 |
0.074 |
| 24 |
45 |
|
2 |
65 |
20 |
12423 |
◊ |
T |
x,y,z |
1_555 |
57 |
14 |
11983 |
585.8 |
-3.1 |
0.414 |
6 |
2 |
0 |
0.016 |
46 |
|
N |
65 |
19 |
12465 |
◊ |
F |
x,y,z |
1_555 |
58 |
14 |
11975 |
574.3 |
-2.9 |
0.431 |
7 |
2 |
0 |
0.016 |
| Average: |
580.0 |
-3.0 |
0.423 |
7 |
2 |
0 |
0.016 |
| 25 |
47 |
|
Y |
58 |
23 |
10455 |
◊ |
X |
x,y,z |
1_555 |
64 |
24 |
9912 |
564.3 |
-5.1 |
0.246 |
7 |
4 |
0 |
0.168 |
48 |
|
K |
53 |
20 |
10469 |
◊ |
J |
x,y,z |
1_555 |
63 |
23 |
9904 |
549.3 |
-4.9 |
0.252 |
8 |
4 |
0 |
0.168 |
| Average: |
556.8 |
-5.0 |
0.249 |
8 |
4 |
0 |
0.168 |
| 26 |
49 |
|
Y |
54 |
14 |
10455 |
◊ |
Q |
x,y,z |
1_555 |
48 |
12 |
13137 |
533.6 |
0.5 |
0.544 |
13 |
4 |
0 |
0.020 |
50 |
|
K |
52 |
14 |
10469 |
◊ |
C |
x,y,z |
1_555 |
52 |
12 |
13104 |
533.4 |
-0.6 |
0.510 |
13 |
4 |
0 |
0.020 |
| Average: |
533.5 |
-0.0 |
0.527 |
13 |
4 |
0 |
0.020 |
| 27 |
51 |
|
1 |
56 |
14 |
11890 |
◊ |
S |
x,y,z |
1_555 |
59 |
15 |
12899 |
513.9 |
1.4 |
0.705 |
9 |
3 |
0 |
0.008 |
52 |
|
M |
57 |
15 |
11867 |
◊ |
E |
x,y,z |
1_555 |
57 |
15 |
12895 |
513.8 |
1.6 |
0.715 |
10 |
3 |
0 |
0.008 |
| Average: |
513.8 |
1.5 |
0.710 |
10 |
3 |
0 |
0.008 |
| 28 |
53 |
|
X |
58 |
16 |
9912 |
◊ |
P |
x,y,z |
1_555 |
48 |
12 |
13332 |
513.7 |
-3.7 |
0.425 |
5 |
1 |
0 |
0.021 |
54 |
|
J |
60 |
16 |
9904 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
13417 |
509.7 |
-3.6 |
0.423 |
4 |
1 |
0 |
0.021 |
| Average: |
511.7 |
-3.6 |
0.424 |
5 |
1 |
0 |
0.021 |
| 29 |
55 |
|
X |
49 |
11 |
9912 |
◊ |
Q |
x,y,z |
1_555 |
56 |
14 |
13137 |
490.4 |
-2.7 |
0.417 |
6 |
0 |
0 |
0.016 |
56 |
|
J |
49 |
11 |
9904 |
◊ |
C |
x,y,z |
1_555 |
54 |
14 |
13104 |
474.5 |
-3.1 |
0.379 |
4 |
0 |
0 |
0.016 |
| Average: |
482.4 |
-2.9 |
0.398 |
5 |
0 |
0 |
0.016 |
| 30 |
57 |
|
Q |
44 |
15 |
13137 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
52 |
14 |
12895 |
449.4 |
-0.4 |
0.569 |
6 |
2 |
0 |
0.000 |
| 31 |
58 |
|
V |
51 |
14 |
9865 |
◊ |
U |
x,y,z |
1_555 |
44 |
11 |
12477 |
424.7 |
-1.9 |
0.478 |
4 |
1 |
0 |
0.014 |
59 |
|
H |
49 |
14 |
9864 |
◊ |
G |
x,y,z |
1_555 |
46 |
11 |
12460 |
422.1 |
-2.6 |
0.432 |
6 |
2 |
0 |
0.014 |
| Average: |
423.4 |
-2.3 |
0.455 |
5 |
2 |
0 |
0.014 |
| 32 |
60 |
|
2 |
44 |
12 |
12423 |
◊ |
U |
x,y,z |
1_555 |
52 |
16 |
12477 |
412.2 |
-0.2 |
0.665 |
7 |
7 |
0 |
0.011 |
61 |
|
N |
47 |
12 |
12465 |
◊ |
G |
x,y,z |
1_555 |
53 |
16 |
12460 |
404.1 |
-0.3 |
0.664 |
7 |
7 |
0 |
0.011 |
| Average: |
408.1 |
-0.2 |
0.665 |
7 |
7 |
0 |
0.011 |
| 33 |
62 |
|
L |
36 |
9 |
10332 |
◊ |
E |
x,y,z |
1_555 |
45 |
11 |
12895 |
408.7 |
-2.8 |
0.363 |
5 |
7 |
0 |
0.016 |
63 |
|
Z |
36 |
9 |
10334 |
◊ |
S |
x,y,z |
1_555 |
44 |
12 |
12899 |
405.1 |
-3.0 |
0.345 |
3 |
7 |
0 |
0.016 |
| Average: |
406.9 |
-2.9 |
0.354 |
4 |
7 |
0 |
0.016 |
| 34 |
64 |
|
H |
47 |
13 |
9864 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
12778 |
404.6 |
-2.5 |
0.406 |
3 |
2 |
0 |
0.037 |
65 |
|
V |
45 |
12 |
9865 |
◊ |
O |
x,y,z |
1_555 |
49 |
13 |
12782 |
397.1 |
-3.3 |
0.309 |
3 |
2 |
0 |
0.037 |
| Average: |
400.8 |
-2.9 |
0.357 |
3 |
2 |
0 |
0.037 |
| 35 |
66 |
|
K |
39 |
9 |
10469 |
◊ |
D |
x,y,z |
1_555 |
43 |
11 |
13229 |
397.6 |
-2.8 |
0.250 |
6 |
4 |
0 |
0.015 |
67 |
|
Y |
39 |
9 |
10455 |
◊ |
R |
x,y,z |
1_555 |
43 |
11 |
13183 |
396.0 |
-2.7 |
0.261 |
4 |
4 |
0 |
0.015 |
| Average: |
396.8 |
-2.8 |
0.255 |
5 |
4 |
0 |
0.015 |
| 36 |
68 |
|
M |
33 |
7 |
11867 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
11975 |
345.8 |
0.2 |
0.542 |
4 |
2 |
0 |
0.005 |
69 |
|
1 |
32 |
7 |
11890 |
◊ |
T |
x,y,z |
1_555 |
47 |
12 |
11983 |
344.0 |
-0.1 |
0.520 |
4 |
1 |
0 |
0.005 |
| Average: |
344.9 |
0.1 |
0.531 |
4 |
2 |
0 |
0.005 |
| 37 |
70 |
|
O |
32 |
11 |
12782 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
11 |
13417 |
302.9 |
1.8 |
0.806 |
1 |
2 |
0 |
0.000 |
| 38 |
71 |
|
L |
30 |
14 |
10332 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
13229 |
300.7 |
2.4 |
0.803 |
6 |
9 |
0 |
0.005 |
72 |
|
Z |
30 |
14 |
10334 |
◊ |
R |
x,y,z |
1_555 |
34 |
11 |
13183 |
298.7 |
2.4 |
0.801 |
7 |
8 |
0 |
0.005 |
| Average: |
299.7 |
2.4 |
0.802 |
7 |
9 |
0 |
0.005 |
| 39 |
73 |
|
S |
37 |
13 |
12899 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
20 |
9 |
13104 |
247.1 |
-1.0 |
0.326 |
3 |
2 |
0 |
0.000 |
| 40 |
74 |
|
O |
31 |
12 |
12782 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
12 |
12778 |
219.9 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
| 41 |
75 |
|
F |
21 |
7 |
11975 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
13104 |
154.2 |
0.8 |
0.641 |
3 |
2 |
0 |
0.038 |
76 |
|
T |
20 |
7 |
11983 |
◊ |
Q |
x,y,z |
1_555 |
13 |
4 |
13137 |
144.2 |
0.7 |
0.657 |
5 |
3 |
0 |
0.038 |
| Average: |
149.2 |
0.7 |
0.649 |
4 |
3 |
0 |
0.038 |
| 42 |
77 |
|
U |
20 |
8 |
12477 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
12460 |
143.3 |
0.6 |
0.690 |
1 |
0 |
0 |
0.000 |
| 43 |
78 |
|
G |
15 |
5 |
12460 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
13104 |
137.7 |
0.7 |
0.733 |
4 |
0 |
0 |
0.024 |
79 |
|
U |
14 |
5 |
12477 |
◊ |
Q |
x,y,z |
1_555 |
15 |
4 |
13137 |
134.7 |
0.9 |
0.756 |
6 |
0 |
0 |
0.024 |
| Average: |
136.2 |
0.8 |
0.744 |
5 |
0 |
0 |
0.024 |
| 44 |
80 |
|
G |
15 |
4 |
12460 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
13417 |
135.6 |
-2.0 |
0.355 |
2 |
0 |
0 |
0.034 |
81 |
|
U |
14 |
4 |
12477 |
◊ |
P |
x,y,z |
1_555 |
17 |
4 |
13332 |
133.5 |
-1.9 |
0.362 |
1 |
0 |
0 |
0.034 |
| Average: |
134.6 |
-2.0 |
0.358 |
2 |
0 |
0 |
0.034 |
| 45 |
82 |
|
E |
20 |
7 |
12895 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
13104 |
131.9 |
0.6 |
0.693 |
1 |
2 |
0 |
0.003 |
83 |
|
S |
17 |
5 |
12899 |
◊ |
Q |
x,y,z |
1_555 |
15 |
3 |
13137 |
129.6 |
0.9 |
0.729 |
0 |
3 |
0 |
0.003 |
| Average: |
130.7 |
0.8 |
0.711 |
1 |
3 |
0 |
0.003 |
| 46 |
84 |
|
Q |
15 |
2 |
13137 |
◊ |
O |
x,y,z |
1_555 |
13 |
3 |
12782 |
130.9 |
-2.8 |
0.137 |
1 |
0 |
0 |
0.027 |
85 |
|
C |
13 |
2 |
13104 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
12778 |
124.1 |
-2.7 |
0.119 |
1 |
0 |
0 |
0.027 |
| Average: |
127.5 |
-2.7 |
0.128 |
1 |
0 |
0 |
0.027 |
| 47 |
86 |
|
U |
17 |
5 |
12477 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12778 |
114.2 |
0.5 |
0.648 |
1 |
0 |
0 |
0.000 |
| 48 |
87 |
|
U |
9 |
2 |
12477 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
11975 |
92.4 |
-1.2 |
0.351 |
0 |
0 |
0 |
0.000 |
| 49 |
88 |
|
R |
13 |
3 |
13183 |
◊ |
P |
x,y,z |
1_555 |
9 |
3 |
13332 |
88.1 |
-1.0 |
0.403 |
0 |
0 |
0 |
0.007 |
89 |
|
D |
15 |
3 |
13229 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13417 |
82.9 |
-0.9 |
0.433 |
0 |
0 |
0 |
0.007 |
| Average: |
85.5 |
-0.9 |
0.418 |
0 |
0 |
0 |
0.007 |
| 50 |
90 |
|
L |
8 |
3 |
10332 |
◊ |
W |
x,y,z |
1_555 |
6 |
2 |
13045 |
83.2 |
-1.7 |
0.211 |
0 |
0 |
0 |
0.012 |
91 |
|
Z |
9 |
3 |
10334 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
13089 |
78.8 |
-1.6 |
0.232 |
0 |
0 |
0 |
0.012 |
| Average: |
81.0 |
-1.6 |
0.222 |
0 |
0 |
0 |
0.012 |
| 51 |
92 |
|
2 |
8 |
3 |
12423 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
12778 |
73.4 |
1.2 |
0.762 |
1 |
0 |
0 |
0.000 |
93 |
|
N |
7 |
3 |
12465 |
◊ |
O |
x,y,z |
1_555 |
9 |
5 |
12782 |
71.3 |
1.2 |
0.756 |
0 |
0 |
0 |
0.000 |
| Average: |
72.4 |
1.2 |
0.759 |
1 |
0 |
0 |
0.000 |
| 52 |
94 |
|
W |
7 |
1 |
13045 |
◊ |
Q |
x,y,z |
1_555 |
9 |
5 |
13137 |
71.2 |
0.5 |
0.714 |
0 |
0 |
0 |
0.000 |
95 |
|
I |
6 |
1 |
13089 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
13104 |
63.7 |
0.5 |
0.724 |
0 |
0 |
0 |
0.000 |
| Average: |
67.5 |
0.5 |
0.719 |
0 |
0 |
0 |
0.000 |
| 53 |
96 |
|
F |
9 |
3 |
11975 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13417 |
65.4 |
-0.1 |
0.533 |
1 |
0 |
0 |
0.007 |
97 |
|
T |
9 |
3 |
11983 |
◊ |
P |
x,y,z |
1_555 |
7 |
2 |
13332 |
58.6 |
-0.2 |
0.528 |
1 |
0 |
0 |
0.007 |
| Average: |
62.0 |
-0.1 |
0.530 |
1 |
0 |
0 |
0.007 |
| 54 |
98 |
|
[MG]X:198 |
1 |
1 |
98 |
f |
X |
x,y,z |
1_555 |
11 |
8 |
9912 |
55.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.246 |
99 |
|
[MG]J:198 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
12 |
8 |
9904 |
55.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.246 |
| Average: |
55.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.246 |
| 55 |
100 |
|
[MG]S:2 |
1 |
1 |
98 |
f |
1 |
x,y,z |
1_555 |
13 |
7 |
11890 |
52.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.154 |
101 |
|
[MG]E:2 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
13 |
7 |
11867 |
51.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.154 |
| Average: |
51.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.154 |
| 56 |
102 |
|
[MG]1:214 |
1 |
1 |
98 |
f |
1 |
x,y,z |
1_555 |
9 |
6 |
11890 |
50.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.212 |
103 |
|
[MG]M:214 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
8 |
6 |
11867 |
50.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.212 |
| Average: |
50.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.212 |
| 57 |
104 |
|
[MG]O:1 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
7 |
5 |
12782 |
50.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.259 |
105 |
|
[MG]A:1 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12778 |
49.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.259 |
| Average: |
50.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.259 |
| 58 |
106 |
|
[MG]H:197 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
9864 |
48.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.275 |
107 |
|
[MG]V:197 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
10 |
7 |
9865 |
47.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.275 |
| Average: |
47.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.275 |
| 59 |
108 |
|
S |
7 |
3 |
12899 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
13332 |
45.5 |
0.9 |
0.722 |
1 |
0 |
0 |
0.000 |
109 |
|
E |
7 |
3 |
12895 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13417 |
41.2 |
0.9 |
0.719 |
1 |
0 |
0 |
0.000 |
| Average: |
43.4 |
0.9 |
0.721 |
1 |
0 |
0 |
0.000 |
| 60 |
110 |
|
[MG]W:223 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
9 |
6 |
13045 |
40.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.166 |
111 |
|
[MG]I:223 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
8 |
6 |
13089 |
40.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.166 |
| Average: |
40.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.166 |
| 61 |
112 |
|
[MG]L:213 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
8 |
6 |
10332 |
40.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.182 |
113 |
|
[MG]Z:213 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
8 |
6 |
10334 |
40.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.182 |
| Average: |
40.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.182 |
| 62 |
114 |
|
[MG]X:197 |
1 |
1 |
98 |
f |
X |
x,y,z |
1_555 |
7 |
4 |
9912 |
36.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.118 |
115 |
|
[MG]J:197 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
9904 |
36.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
36.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.118 |
| 63 |
116 |
|
[MG]G:248 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
12460 |
34.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.100 |
117 |
|
[MG]U:248 |
1 |
1 |
98 |
f |
U |
x,y,z |
1_555 |
7 |
4 |
12477 |
33.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
33.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 64 |
118 |
|
[MG]O:253 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
8 |
5 |
12782 |
34.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.106 |
119 |
|
[MG]A:253 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
12778 |
33.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
34.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.106 |
| 65 |
120 |
|
[MG]E:2 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
12895 |
31.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.008 |
121 |
|
[MG]S:2 |
1 |
1 |
98 |
◊ |
S |
x,y,z |
1_555 |
3 |
2 |
12899 |
30.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
30.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| 66 |
122 |
|
[MG]O:253 |
1 |
1 |
98 |
◊ |
U |
x,y,z |
1_555 |
7 |
4 |
12477 |
30.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.037 |
123 |
|
[MG]A:253 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
12460 |
29.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
29.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 67 |
124 |
|
[MG]Z:213 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
9904 |
29.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.090 |
125 |
|
[MG]L:213 |
1 |
1 |
98 |
◊ |
X |
x,y,z |
1_555 |
5 |
2 |
9912 |
28.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
29.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.090 |
| 68 |
126 |
|
[MG]I:223 |
1 |
1 |
98 |
◊ |
1 |
x,y,z |
1_555 |
5 |
2 |
11890 |
27.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.072 |
127 |
|
[MG]W:223 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
11867 |
26.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
26.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.072 |
| 69 |
128 |
|
[MG]H:197 |
1 |
1 |
98 |
◊ |
2 |
x,y,z |
1_555 |
1 |
1 |
12423 |
21.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.088 |
129 |
|
[MG]V:197 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
12465 |
20.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
21.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.088 |
| 70 |
130 |
|
[MG]A:253 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13417 |
20.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.064 |
131 |
|
[MG]O:253 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
13332 |
20.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
20.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| 71 |
132 |
|
O |
3 |
1 |
12782 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12460 |
18.9 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
| 72 |
133 |
|
R |
2 |
2 |
13183 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12895 |
12.8 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| 73 |
134 |
|
[MG]1:214 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
13089 |
11.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.020 |
135 |
|
[MG]M:214 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
4 |
2 |
13045 |
10.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
10.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 74 |
136 |
|
[MG]J:198 |
1 |
1 |
98 |
◊ |
Z |
x,y,z |
1_555 |
3 |
2 |
10334 |
10.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.028 |
137 |
|
[MG]X:198 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
10332 |
8.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
9.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| 75 |
138 |
|
Q |
1 |
1 |
13137 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13229 |
6.0 |
0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
| 76 |
139 |
|
[MG]A:253 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13104 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 77 |
140 |
|
T |
1 |
1 |
11983 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13229 |
1.3 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 78 |
141 |
|
S |
1 |
1 |
12899 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
12782 |
0.1 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
|