NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580537 |
2mo7   |
19925 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mo7
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 391
_Distance_constraint_stats_list.Viol_count 3849
_Distance_constraint_stats_list.Viol_total 37597.195
_Distance_constraint_stats_list.Viol_max 3.286
_Distance_constraint_stats_list.Viol_rms 0.7110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7947
_Distance_constraint_stats_list.Viol_average_violations_only 0.8880
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 199.659 2.407 2 11 [*+*****-***]
1 2 DG 327.216 2.468 10 11 [*******-*+*]
1 3 DC 205.496 2.468 10 11 [**-******+*]
1 4 DA 53.697 1.575 10 11 [***-*****+*]
1 5 DA 178.494 2.442 11 11 [***-******+]
1 6 DA 227.323 2.442 11 11 [**-*******+]
1 7 DT 301.740 2.479 3 11 [**+-*******]
1 8 DT 251.918 2.479 3 11 [**+-*******]
1 9 DC 118.653 1.312 3 11 [**+**-*****]
1 10 DG 261.077 2.714 2 11 [*+**-******]
1 11 DC 438.486 3.111 2 11 [*+*-*******]
1 12 DG 162.732 2.606 3 11 [**+********]
2 1 DC 194.261 2.317 8 11 [******-+***]
2 2 DG 324.814 2.524 8 11 [*******+**-]
2 3 DC 207.503 2.524 8 11 [*******+***]
2 4 DA 54.375 1.704 7 11 [***-**+****]
2 5 DA 173.808 2.573 10 11 [***-*****+*]
2 6 DA 259.160 3.286 6 11 [*****+**-**]
2 7 DT 301.972 2.564 6 11 [*****+-****]
2 8 DT 286.608 3.286 6 11 [*****+-****]
2 9 DC 119.821 1.296 5 11 [**-*+******]
2 10 DG 261.827 2.709 10 11 [*********+-]
2 11 DC 435.516 3.088 10 11 [*********+-]
2 12 DG 163.639 2.441 3 11 [**+-*******]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC Q2' 1 1 DC H3' . . 2.060 2.217 2.175 2.248 0.188 7 0 "[ . 1 ]" 1
2 1 1 DC H1' 1 1 DC H3' . . 3.090 3.821 3.767 3.862 0.772 2 11 [*+********-] 1
3 1 1 DC H1' 1 1 DC Q2' . . 1.980 2.264 2.233 2.299 0.319 8 0 "[ . 1 ]" 1
4 1 1 DC H3' 1 1 DC H5 . . 4.160 6.496 6.409 6.567 2.407 2 11 [*+**-******] 1
5 1 1 DC Q2' 1 1 DC H5 . . 3.140 4.270 4.227 4.313 1.173 11 11 [*******-**+] 1
6 1 1 DC H1' 1 1 DC H5 . . 3.250 5.461 5.436 5.486 2.236 5 11 [**-*+******] 1
7 1 1 DC H5 1 1 DC H6 . . 2.300 2.437 2.403 2.453 0.153 6 0 "[ . 1 ]" 1
8 1 1 DC H3' 1 1 DC H6 . . 3.080 4.083 4.003 4.141 1.061 8 11 [****-**+***] 1
9 1 1 DC Q2' 1 1 DC H6 . . 1.800 2.207 2.145 2.255 0.455 9 0 "[ . 1 ]" 1
10 1 1 DC H1' 1 1 DC H6 . . 3.000 3.751 3.704 3.782 0.782 8 11 [*****-*+***] 1
11 1 1 DC H1' 1 2 DG H3' . . 3.880 5.772 5.714 5.857 1.977 6 11 [*****+*-***] 1
12 1 1 DC Q2' 1 2 DG Q2' . . 2.190 3.348 3.248 3.519 1.329 6 11 [**-**+*****] 1
13 1 2 DG Q2' 1 2 DG H3' . . 1.740 2.216 2.183 2.246 0.506 11 1 "[ . 1+]" 1
14 1 1 DC H2' 1 1 DC H2'' . . 1.700 1.785 1.766 1.803 0.103 11 0 "[ . 1 ]" 1
15 1 1 DC H1' 1 2 DG Q2' . . 4.850 4.718 4.640 4.814 . 0 0 "[ . 1 ]" 1
16 1 1 DC Q2' 1 2 DG H1' . . 3.020 5.082 4.858 5.215 2.195 6 11 [**-**+*****] 1
17 1 1 DC H1' 1 2 DG H1' . . 3.860 5.404 5.332 5.498 1.638 7 11 [****-*+****] 1
18 1 2 DG H1' 1 2 DG H3' . . 2.640 3.747 3.729 3.785 1.145 2 11 [*+******-**] 1
19 1 2 DG H1' 1 2 DG Q2' . . 1.810 2.307 2.286 2.324 0.514 4 4 "[ * +. -*1 ]" 1
20 1 1 DC H3' 1 2 DG H8 . . 3.500 4.919 4.804 5.056 1.556 11 11 [********-*+] 1
21 1 1 DC Q2' 1 2 DG H8 . . 2.160 2.262 2.175 2.336 0.176 11 0 "[ . 1 ]" 1
22 1 1 DC H1' 1 2 DG H8 . . 3.080 3.694 3.549 3.900 0.820 3 9 "[**+** *- **]" 1
23 1 1 DC H6 1 2 DG H8 . . 4.500 4.626 4.500 4.725 0.225 2 0 "[ . 1 ]" 1
24 1 2 DG H3' 1 2 DG H8 . . 2.420 4.524 4.427 4.633 2.213 11 11 [*-********+] 1
25 1 2 DG Q2' 1 2 DG H8 . . 1.670 2.344 2.259 2.406 0.736 8 11 [*-*****+***] 1
26 1 2 DG H1' 1 2 DG H8 . . 2.670 3.894 3.844 3.941 1.271 4 11 [*-*+*******] 1
27 1 2 DG Q2' 1 3 DC Q2' . . 1.940 3.679 3.634 3.806 1.866 3 11 [**+*-******] 1
28 1 2 DG H1' 1 3 DC Q2' . . 2.620 4.752 4.630 4.855 2.235 3 11 [*-+********] 1
29 1 2 DG Q2' 1 3 DC H1' . . 2.930 5.315 5.253 5.398 2.468 10 11 [****-****+*] 1
30 1 2 DG H1' 1 3 DC H1' . . 3.500 5.353 5.158 5.459 1.959 9 11 [*-******+**] 1
31 1 3 DC H1' 1 3 DC Q2' . . 2.020 2.304 2.254 2.322 0.302 11 0 "[ . 1 ]" 1
32 1 2 DG H3' 1 3 DC H5 . . 4.140 5.577 5.506 5.622 1.482 11 11 [**-*******+] 1
33 1 2 DG Q2' 1 3 DC H5 . . 2.400 2.981 2.915 3.019 0.619 5 11 [**-*+******] 1
34 1 2 DG H1' 1 3 DC H5 . . 4.110 4.438 4.381 4.506 0.396 11 0 "[ . 1 ]" 1
35 1 2 DG H8 1 3 DC H5 . . 3.240 3.614 3.494 3.780 0.540 6 1 "[ .+ 1 ]" 1
36 1 3 DC Q2' 1 3 DC H5 . . 3.130 4.271 4.239 4.304 1.174 8 11 [****-**+***] 1
37 1 3 DC H1' 1 3 DC H5 . . 3.690 5.416 5.389 5.456 1.766 2 11 [*+**-******] 1
38 1 3 DC H5 1 3 DC H6 . . 2.300 2.434 2.407 2.464 0.164 2 0 "[ . 1 ]" 1
39 1 2 DG H3' 1 3 DC H6 . . 3.600 5.032 4.986 5.074 1.474 2 11 [*+******-**] 1
40 1 2 DG Q2' 1 3 DC H6 . . 2.500 2.409 2.372 2.427 . 0 0 "[ . 1 ]" 1
41 1 2 DG H1' 1 3 DC H6 . . 2.700 3.787 3.716 3.867 1.167 11 11 [*********-+] 1
42 1 2 DG H8 1 3 DC H6 . . 3.650 5.048 4.954 5.185 1.535 6 11 [*-***+*****] 1
43 1 3 DC Q2' 1 3 DC H6 . . 2.120 2.085 2.066 2.115 . 0 0 "[ . 1 ]" 1
44 1 3 DC H1' 1 3 DC H6 . . 3.050 3.702 3.674 3.736 0.686 10 11 [*****-***+*] 1
45 1 4 DA Q2' 1 4 DA H3' . . 1.790 2.209 2.184 2.245 0.455 11 0 "[ . 1 ]" 1
46 1 4 DA H2' 1 4 DA H2'' . . 1.700 1.782 1.768 1.796 0.096 4 0 "[ . 1 ]" 1
47 1 4 DA H1' 1 4 DA H3' . . 3.590 3.839 3.788 3.878 0.288 2 0 "[ . 1 ]" 1
48 1 4 DA H1' 1 4 DA Q2' . . 2.440 2.281 2.236 2.315 . 0 0 "[ . 1 ]" 1
49 1 4 DA H3' 1 4 DA H8 . . 3.410 4.308 4.208 4.407 0.997 10 11 [********-+*] 1
50 1 4 DA Q2' 1 4 DA H8 . . 2.060 2.231 2.130 2.349 0.289 10 0 "[ . 1 ]" 1
51 1 4 DA H1' 1 4 DA H8 . . 3.500 3.886 3.847 3.955 0.455 10 0 "[ . 1 ]" 1
52 1 5 DA Q2' 1 5 DA H3' . . 1.800 2.199 2.170 2.240 0.440 7 0 "[ . 1 ]" 1
53 1 5 DA H2' 1 5 DA H2'' . . 1.700 1.783 1.767 1.809 0.109 11 0 "[ . 1 ]" 1
54 1 4 DA H1' 1 5 DA H1' . . 4.500 4.744 4.604 4.995 0.495 10 0 "[ . 1 ]" 1
55 1 5 DA H1' 1 5 DA H3' . . 3.140 3.832 3.800 3.865 0.725 11 11 [**-*******+] 1
56 1 5 DA H1' 1 5 DA Q2' . . 2.040 2.279 2.235 2.302 0.262 2 0 "[ . 1 ]" 1
57 1 4 DA Q2' 1 5 DA H8 . . 2.050 2.298 2.264 2.358 0.308 3 0 "[ . 1 ]" 1
58 1 4 DA H1' 1 5 DA H8 . . 3.000 3.860 3.694 3.965 0.965 11 11 [***-******+] 1
59 1 4 DA H8 1 5 DA H8 . . 3.000 4.324 4.135 4.575 1.575 10 11 [*****-***+*] 1
60 1 5 DA H3' 1 5 DA H8 . . 3.210 4.261 4.203 4.375 1.165 4 11 [***+*****-*] 1
61 1 5 DA Q2' 1 5 DA H8 . . 1.960 2.401 2.329 2.504 0.544 11 2 "[ -. 1+]" 1
62 1 5 DA H1' 1 5 DA H8 . . 3.000 3.906 3.882 3.939 0.939 8 11 [*******+*-*] 1
63 1 5 DA H1' 1 6 DA H3' . . 3.550 5.863 5.626 5.992 2.442 11 11 [********-*+] 1
64 1 6 DA Q2' 1 6 DA H3' . . 2.040 2.203 2.171 2.217 0.177 7 0 "[ . 1 ]" 1
65 1 6 DA H2' 1 6 DA H2'' . . 1.700 1.791 1.777 1.806 0.106 5 0 "[ . 1 ]" 1
66 1 5 DA H1' 1 6 DA H1' . . 4.150 5.134 4.899 5.266 1.116 11 11 [********-*+] 1
67 1 6 DA H1' 1 6 DA H3' . . 3.000 3.821 3.792 3.835 0.835 6 11 [*****+*-***] 1
68 1 6 DA H1' 1 6 DA Q2' . . 2.050 2.307 2.273 2.345 0.295 11 0 "[ . 1 ]" 1
69 1 5 DA H3' 1 6 DA H8 . . 3.460 4.703 4.646 4.747 1.287 5 11 [*-**+******] 1
70 1 5 DA Q2' 1 6 DA H8 . . 2.190 2.084 2.038 2.131 . 0 0 "[ . 1 ]" 1
71 1 5 DA H1' 1 6 DA H8 . . 2.820 3.773 3.727 3.836 1.016 2 11 [*+*-*******] 1
72 1 6 DA H3' 1 6 DA H8 . . 2.950 4.361 4.246 4.414 1.464 3 11 [**+*******-] 1
73 1 6 DA Q2' 1 6 DA H8 . . 2.090 2.371 2.250 2.451 0.361 4 0 "[ . 1 ]" 1
74 1 6 DA H1' 1 6 DA H8 . . 3.150 3.901 3.877 3.923 0.773 3 11 [**+*-******] 1
75 1 6 DA H1' 1 7 DT H3' . . 4.670 5.617 5.426 5.814 1.144 4 11 [***+**-****] 1
76 1 7 DT Q2' 1 7 DT H3' . . 2.460 2.192 2.169 2.213 . 0 0 "[ . 1 ]" 1
77 1 7 DT H2' 1 7 DT H2'' . . 1.700 1.792 1.774 1.816 0.116 4 0 "[ . 1 ]" 1
78 1 6 DA Q2' 1 7 DT Q2' . . 4.000 3.925 3.793 3.997 . 0 0 "[ . 1 ]" 1
79 1 6 DA H1' 1 7 DT Q2' . . 4.000 4.903 4.797 5.006 1.006 5 11 [****+*****-] 1
80 1 6 DA Q2' 1 7 DT H1' . . 3.710 5.228 5.092 5.295 1.585 5 11 [****+***-**] 1
81 1 6 DA H1' 1 7 DT H1' . . 4.330 5.043 4.903 5.179 0.849 5 11 [****+***-**] 1
82 1 7 DT H1' 1 7 DT H3' . . 3.690 3.792 3.746 3.834 0.144 5 0 "[ . 1 ]" 1
83 1 7 DT H1' 1 7 DT Q2' . . 2.120 2.290 2.247 2.336 0.216 9 0 "[ . 1 ]" 1
84 1 5 DA Q2' 1 7 DT M7 . . 2.440 4.470 4.331 4.592 2.152 5 11 [****+*****-] 1
85 1 5 DA H1' 1 7 DT M7 . . 3.930 6.146 6.066 6.261 2.331 1 11 [+*******-**] 1
86 1 6 DA H3' 1 7 DT M7 . . 3.910 4.476 4.305 4.701 0.791 7 7 "[* - **+ *1*]" 1
87 1 6 DA Q2' 1 7 DT M7 . . 2.800 2.410 2.250 2.623 . 0 0 "[ . 1 ]" 1
88 1 6 DA H1' 1 7 DT M7 . . 3.980 4.062 3.884 4.182 0.202 11 0 "[ . 1 ]" 1
89 1 6 DA H8 1 7 DT M7 . . 2.520 3.006 2.917 3.190 0.670 1 3 "[+ * - 1 ]" 1
90 1 7 DT H3' 1 7 DT M7 . . 4.580 5.673 5.585 5.769 1.189 1 11 [+*****-****] 1
91 1 7 DT Q2' 1 7 DT M7 . . 2.920 3.915 3.851 3.978 1.058 1 11 [+***-******] 1
92 1 7 DT H1' 1 7 DT M7 . . 4.040 5.214 5.184 5.247 1.207 4 11 [-**+*******] 1
93 1 6 DA H3' 1 7 DT H6 . . 3.520 5.053 4.959 5.199 1.679 7 11 [*-****+****] 1
94 1 6 DA Q2' 1 7 DT H6 . . 2.150 2.315 2.220 2.423 0.273 7 0 "[ . 1 ]" 1
95 1 6 DA H1' 1 7 DT H6 . . 2.990 3.552 3.456 3.606 0.616 5 10 "[* **+*****-]" 1
96 1 6 DA H8 1 7 DT H6 . . 3.500 5.005 4.728 5.232 1.732 4 11 [***+******-] 1
97 1 7 DT H3' 1 7 DT H6 . . 3.480 4.116 4.023 4.185 0.705 2 11 [*+****-****] 1
98 1 7 DT Q2' 1 7 DT H6 . . 2.190 2.326 2.236 2.391 0.201 6 0 "[ . 1 ]" 1
99 1 7 DT H1' 1 7 DT H6 . . 3.370 3.738 3.709 3.764 0.394 5 0 "[ . 1 ]" 1
100 1 7 DT H6 1 7 DT M7 . . 2.540 2.280 2.200 2.437 . 0 0 "[ . 1 ]" 1
101 1 8 DT Q2' 1 8 DT H3' . . 2.640 2.206 2.180 2.234 . 0 0 "[ . 1 ]" 1
102 1 7 DT H1' 1 8 DT Q2' . . 3.000 5.008 4.940 5.078 2.078 3 11 [**+**-*****] 1
103 1 8 DT H2' 1 8 DT H2'' . . 1.700 1.789 1.777 1.805 0.105 6 0 "[ . 1 ]" 1
104 1 7 DT Q2' 1 8 DT Q2' . . 4.000 3.668 3.525 3.740 . 0 0 "[ . 1 ]" 1
105 1 7 DT H1' 1 8 DT H1' . . 4.480 5.437 5.269 5.557 1.077 8 11 [*******+*-*] 1
106 1 8 DT H1' 1 8 DT H3' . . 3.700 3.784 3.743 3.825 0.125 3 0 "[ . 1 ]" 1
107 1 8 DT H1' 1 8 DT Q2' . . 2.140 2.273 2.240 2.308 0.168 9 0 "[ . 1 ]" 1
108 1 6 DA Q2' 1 8 DT M7 . . 4.000 4.660 4.573 4.790 0.790 1 11 [+********-*] 1
109 1 6 DA H1' 1 8 DT M7 . . 4.330 6.079 6.012 6.216 1.886 1 11 [+*******-**] 1
110 1 7 DT H3' 1 8 DT M7 . . 3.910 4.194 3.999 4.352 0.442 1 0 "[ . 1 ]" 1
111 1 7 DT Q2' 1 8 DT M7 . . 2.680 2.303 2.200 2.453 . 0 0 "[ . 1 ]" 1
112 1 7 DT H1' 1 8 DT M7 . . 3.620 4.115 4.008 4.206 0.586 1 5 "[+ -** * ]" 1
113 1 7 DT H6 1 8 DT M7 . . 2.500 3.036 2.903 3.281 0.781 1 8 "[+****-* 1*]" 1
114 1 8 DT Q2' 1 8 DT M7 . . 2.630 3.860 3.777 3.956 1.326 1 11 [+***-******] 1
115 1 8 DT H1' 1 8 DT M7 . . 3.640 5.197 5.167 5.229 1.589 7 11 [-*****+****] 1
116 1 7 DT H3' 1 8 DT H6 . . 4.320 4.886 4.806 4.977 0.657 4 9 "[*-*+** **1*]" 1
117 1 7 DT Q2' 1 8 DT H6 . . 2.520 2.268 2.191 2.338 . 0 0 "[ . 1 ]" 1
118 1 7 DT H1' 1 8 DT H6 . . 3.140 3.929 3.737 3.995 0.855 8 11 [*-*****+***] 1
119 1 7 DT M7 1 8 DT H6 . . 3.430 5.776 5.658 5.909 2.479 3 11 [**+**-*****] 1
120 1 7 DT H6 1 8 DT H6 . . 3.770 5.218 5.037 5.333 1.563 11 11 [*********-+] 1
121 1 8 DT H3' 1 8 DT H6 . . 3.920 4.176 4.067 4.274 0.354 6 0 "[ . 1 ]" 1
122 1 8 DT Q2' 1 8 DT H6 . . 2.170 2.159 2.101 2.208 0.038 2 0 "[ . 1 ]" 1
123 1 8 DT H1' 1 8 DT H6 . . 3.030 3.733 3.707 3.757 0.727 7 11 [******+-***] 1
124 1 8 DT H6 1 8 DT M7 . . 2.610 2.271 2.212 2.436 . 0 0 "[ . 1 ]" 1
125 1 8 DT Q2' 1 9 DC H5 . . 3.000 3.360 3.311 3.403 0.403 11 0 "[ . 1 ]" 1
126 1 8 DT H1' 1 9 DC H5 . . 4.360 5.079 4.983 5.172 0.812 6 11 [**-**+*****] 1
127 1 8 DT M7 1 9 DC H5 . . 4.500 3.808 3.720 3.907 . 0 0 "[ . 1 ]" 1
128 1 8 DT H6 1 9 DC H5 . . 3.440 3.956 3.852 4.031 0.591 9 8 "[*****- +* ]" 1
129 1 9 DC H5 1 9 DC H6 . . 2.300 2.441 2.418 2.480 0.180 9 0 "[ . 1 ]" 1
130 1 9 DC Q2' 1 9 DC H5 . . 3.110 4.252 4.224 4.287 1.177 3 11 [**+**-*****] 1
131 1 9 DC Q2' 1 9 DC H3' . . 2.430 2.204 2.149 2.262 . 0 0 "[ . 1 ]" 1
132 1 9 DC H2' 1 9 DC H2'' . . 1.700 1.786 1.753 1.809 0.109 11 0 "[ . 1 ]" 1
133 1 8 DT Q2' 1 9 DC Q2' . . 3.120 4.113 4.057 4.166 1.046 4 11 [***+******-] 1
134 1 8 DT H1' 1 9 DC Q2' . . 4.000 5.014 4.954 5.151 1.151 9 11 [*******-+**] 1
135 1 8 DT H1' 1 9 DC H1' . . 4.420 4.502 4.404 4.669 0.249 9 0 "[ . 1 ]" 1
136 1 9 DC H1' 1 9 DC Q2' . . 2.100 2.211 2.196 2.256 0.156 9 0 "[ . 1 ]" 1
137 1 9 DC H1' 1 9 DC H3' . . 3.000 3.868 3.825 3.899 0.899 7 11 [******+***-] 1
138 1 8 DT Q2' 1 9 DC H6 . . 2.500 2.399 2.362 2.441 . 0 0 "[ . 1 ]" 1
139 1 8 DT H1' 1 9 DC H6 . . 3.100 3.839 3.803 3.894 0.794 9 11 [********+*-] 1
140 1 8 DT M7 1 9 DC H6 . . 5.000 5.316 5.227 5.433 0.433 3 0 "[ . 1 ]" 1
141 1 8 DT H6 1 9 DC H6 . . 3.500 4.702 4.624 4.812 1.312 3 11 [**+*******-] 1
142 1 8 DT H3' 1 9 DC H6 . . 4.000 5.062 4.984 5.120 1.120 8 11 [****-**+***] 1
143 1 9 DC H3' 1 9 DC H6 . . 3.480 3.560 3.445 3.619 0.139 11 0 "[ . 1 ]" 1
144 1 9 DC Q2' 1 9 DC H6 . . 2.400 2.375 2.335 2.399 . 0 0 "[ . 1 ]" 1
145 1 9 DC H1' 1 9 DC H6 . . 3.570 3.719 3.677 3.753 0.183 8 0 "[ . 1 ]" 1
146 1 9 DC Q2' 1 10 DG Q2' . . 3.500 3.709 3.652 3.769 0.269 3 0 "[ . 1 ]" 1
147 1 10 DG Q2' 1 10 DG H3' . . 1.850 2.204 2.163 2.244 0.394 4 0 "[ . 1 ]" 1
148 1 10 DG H1' 1 10 DG H3' . . 3.030 3.840 3.798 3.861 0.831 10 11 [*****-***+*] 1
149 1 10 DG H1' 1 10 DG Q2' . . 1.790 2.283 2.246 2.333 0.543 8 4 "[ - *+*1 ]" 1
150 1 9 DC Q2' 1 10 DG H8 . . 2.550 2.708 2.658 2.782 0.232 9 0 "[ . 1 ]" 1
151 1 9 DC H1' 1 10 DG H8 . . 4.600 4.764 4.634 4.904 0.304 9 0 "[ . 1 ]" 1
152 1 9 DC H6 1 10 DG H8 . . 4.200 4.867 4.647 5.033 0.833 7 9 "[* * *-+****]" 1
153 1 9 DC H3' 1 10 DG H8 . . 5.000 4.967 4.897 5.037 0.037 6 0 "[ . 1 ]" 1
154 1 10 DG H3' 1 10 DG H8 . . 3.080 4.317 4.271 4.358 1.278 8 11 [**-****+***] 1
155 1 10 DG Q2' 1 10 DG H8 . . 1.680 2.298 2.190 2.353 0.673 2 11 [*+****-****] 1
156 1 10 DG H1' 1 10 DG H8 . . 3.220 3.892 3.861 3.929 0.709 11 11 [******-***+] 1
157 1 10 DG H1' 1 11 DC H3' . . 4.000 5.513 5.453 5.666 1.666 2 11 [*+********-] 1
158 1 10 DG Q2' 1 11 DC Q2' . . 2.140 3.702 3.676 3.747 1.607 8 11 [**-****+***] 1
159 1 10 DG H1' 1 11 DC Q2' . . 2.860 4.676 4.599 4.738 1.878 2 11 [*+********-] 1
160 1 11 DC Q2' 1 11 DC H3' . . 2.040 2.196 2.172 2.226 0.186 2 0 "[ . 1 ]" 1
161 1 11 DC H2' 1 11 DC H2'' . . 1.700 1.788 1.765 1.812 0.112 8 0 "[ . 1 ]" 1
162 1 10 DG Q2' 1 11 DC H1' . . 3.000 5.106 5.011 5.173 2.173 9 11 [*****-**+**] 1
163 1 10 DG H1' 1 11 DC H1' . . 2.290 4.911 4.799 5.004 2.714 2 11 [*+**-******] 1
164 1 11 DC H1' 1 11 DC H3' . . 2.500 3.777 3.749 3.805 1.305 11 11 [**-*******+] 1
165 1 11 DC H1' 1 11 DC Q2' . . 1.780 2.263 2.246 2.293 0.513 11 2 "[ -. 1+]" 1
166 1 10 DG H3' 1 11 DC H5 . . 3.480 5.495 5.344 5.648 2.168 7 11 [*-****+****] 1
167 1 10 DG Q2' 1 11 DC H5 . . 2.500 2.952 2.827 3.063 0.563 7 3 "[ - + *1 ]" 1
168 1 10 DG H1' 1 11 DC H5 . . 3.250 4.467 4.345 4.557 1.307 9 11 [*-******+**] 1
169 1 10 DG H8 1 11 DC H5 . . 3.010 3.577 3.443 3.767 0.757 4 8 "[***+.*-* 1*]" 1
170 1 11 DC H3' 1 11 DC H5 . . 3.460 6.513 6.427 6.571 3.111 2 11 [*+*****-***] 1
171 1 11 DC Q2' 1 11 DC H5 . . 3.000 4.269 4.239 4.287 1.287 11 11 [*******-**+] 1
172 1 11 DC H1' 1 11 DC H5 . . 2.950 5.461 5.437 5.474 2.524 9 11 [*****-**+**] 1
173 1 11 DC H5 1 11 DC H6 . . 2.300 2.450 2.402 2.469 0.169 10 0 "[ . 1 ]" 1
174 1 10 DG H3' 1 11 DC H6 . . 3.500 4.951 4.855 5.032 1.532 9 11 [*-******+**] 1
175 1 10 DG Q2' 1 11 DC H6 . . 2.090 2.211 2.114 2.288 0.198 9 0 "[ . 1 ]" 1
176 1 10 DG H1' 1 11 DC H6 . . 2.670 3.527 3.485 3.573 0.903 5 11 [**-*+******] 1
177 1 10 DG H8 1 11 DC H6 . . 2.800 4.851 4.716 4.960 2.160 11 11 [****-*****+] 1
178 1 11 DC H3' 1 11 DC H6 . . 3.110 4.078 3.995 4.157 1.047 4 11 [***+***-***] 1
179 1 11 DC Q2' 1 11 DC H6 . . 1.820 2.152 2.131 2.176 0.356 5 0 "[ . 1 ]" 1
180 1 11 DC H1' 1 11 DC H6 . . 2.730 3.730 3.713 3.745 1.015 4 11 [***+*-*****] 1
181 1 11 DC H1' 1 12 DG H3' . . 4.000 5.833 5.711 5.942 1.942 7 11 [***-**+****] 1
182 1 11 DC Q2' 1 12 DG Q2' . . 2.720 2.836 2.783 2.884 0.164 3 0 "[ . 1 ]" 1
183 1 11 DC H1' 1 12 DG Q2' . . 3.190 4.549 4.481 4.660 1.470 3 11 [**+-*******] 1
184 1 12 DG Q2' 1 12 DG H3' . . 1.990 2.244 2.204 2.269 0.279 9 0 "[ . 1 ]" 1
185 1 12 DG H2' 1 12 DG H2'' . . 1.700 1.788 1.775 1.800 0.100 3 0 "[ . 1 ]" 1
186 1 11 DC H1' 1 12 DG H1' . . 2.740 5.283 5.215 5.346 2.606 3 11 [**+*****-**] 1
187 1 12 DG H1' 1 12 DG H3' . . 3.210 3.666 3.614 3.690 0.480 4 0 "[ . 1 ]" 1
188 1 12 DG H1' 1 12 DG Q2' . . 1.760 2.336 2.300 2.363 0.603 6 11 [**-**+*****] 1
189 1 11 DC H3' 1 12 DG H8 . . 3.340 4.991 4.938 5.038 1.698 10 11 [*********+-] 1
190 1 11 DC Q2' 1 12 DG H8 . . 2.500 2.502 2.443 2.617 0.117 3 0 "[ . 1 ]" 1
191 1 11 DC H1' 1 12 DG H8 . . 3.320 4.240 4.143 4.463 1.143 3 11 [*-+********] 1
192 1 11 DC H6 1 12 DG H8 . . 2.430 4.212 4.081 4.300 1.870 2 11 [*+*******-*] 1
193 1 12 DG H3' 1 12 DG H8 . . 2.890 4.631 4.579 4.679 1.789 2 11 [*+-********] 1
194 1 12 DG Q2' 1 12 DG H8 . . 1.850 2.221 2.190 2.248 0.398 2 0 "[ . 1 ]" 1
195 1 12 DG H1' 1 12 DG H8 . . 2.760 3.841 3.814 3.872 1.112 8 11 [*****-*+***] 1
196 2 1 DC Q2' 2 1 DC H3' . . 2.060 2.211 2.179 2.269 0.209 6 0 "[ . 1 ]" 1
197 2 1 DC H1' 2 1 DC H3' . . 3.090 3.860 3.809 3.911 0.821 6 11 [***-*+*****] 1
198 2 1 DC H1' 2 1 DC Q2' . . 1.980 2.274 2.239 2.327 0.347 4 0 "[ . 1 ]" 1
199 2 1 DC H3' 2 1 DC H5 . . 4.160 6.415 6.365 6.477 2.317 8 11 [**-****+***] 1
200 2 1 DC Q2' 2 1 DC H5 . . 3.140 4.264 4.229 4.297 1.157 4 11 [***+*-*****] 1
201 2 1 DC H1' 2 1 DC H5 . . 3.250 5.457 5.433 5.492 2.242 9 11 [******-*+**] 1
202 2 1 DC H5 2 1 DC H6 . . 2.300 2.449 2.423 2.469 0.169 11 0 "[ . 1 ]" 1
203 2 1 DC H3' 2 1 DC H6 . . 3.080 3.992 3.941 4.063 0.983 8 11 [*******+-**] 1
204 2 1 DC Q2' 2 1 DC H6 . . 1.800 2.204 2.165 2.247 0.447 4 0 "[ . 1 ]" 1
205 2 1 DC H1' 2 1 DC H6 . . 3.000 3.737 3.699 3.769 0.769 9 11 [********+-*] 1
206 2 1 DC H1' 2 2 DG H3' . . 3.880 5.740 5.614 5.809 1.929 4 11 [***+-******] 1
207 2 1 DC Q2' 2 2 DG Q2' . . 2.190 3.306 3.212 3.412 1.222 3 11 [**+**-*****] 1
208 2 2 DG Q2' 2 2 DG H3' . . 1.740 2.232 2.215 2.252 0.512 6 2 "[ -+ 1 ]" 1
209 2 1 DC H2' 2 1 DC H2'' . . 1.700 1.772 1.760 1.792 0.092 8 0 "[ . 1 ]" 1
210 2 1 DC H1' 2 2 DG Q2' . . 4.850 4.703 4.498 4.826 . 0 0 "[ . 1 ]" 1
211 2 1 DC Q2' 2 2 DG H1' . . 3.020 4.956 4.822 5.077 2.057 5 11 [****+-*****] 1
212 2 1 DC H1' 2 2 DG H1' . . 3.860 5.237 5.111 5.340 1.480 4 11 [***+******-] 1
213 2 2 DG H1' 2 2 DG H3' . . 2.640 3.746 3.692 3.790 1.150 6 11 [*****+***-*] 1
214 2 2 DG H1' 2 2 DG Q2' . . 1.810 2.310 2.272 2.359 0.549 5 6 "[ +****1-]" 1
215 2 1 DC H3' 2 2 DG H8 . . 3.500 4.912 4.740 5.023 1.523 5 11 [*-**+******] 1
216 2 1 DC Q2' 2 2 DG H8 . . 2.160 2.273 2.211 2.345 0.185 11 0 "[ . 1 ]" 1
217 2 1 DC H1' 2 2 DG H8 . . 3.080 3.741 3.637 3.863 0.783 2 11 [*+****-****] 1
218 2 1 DC H6 2 2 DG H8 . . 4.500 4.608 4.489 4.738 0.238 3 0 "[ . 1 ]" 1
219 2 2 DG H3' 2 2 DG H8 . . 2.420 4.520 4.477 4.588 2.168 8 11 [*******+-**] 1
220 2 2 DG Q2' 2 2 DG H8 . . 1.670 2.325 2.219 2.370 0.700 8 11 [****-**+***] 1
221 2 2 DG H1' 2 2 DG H8 . . 2.670 3.896 3.848 3.921 1.251 2 11 [*+-********] 1
222 2 2 DG Q2' 2 3 DC Q2' . . 1.940 3.721 3.672 3.804 1.864 8 11 [**-****+***] 1
223 2 2 DG H1' 2 3 DC Q2' . . 2.620 4.768 4.696 4.874 2.254 11 11 [**-*******+] 1
224 2 2 DG Q2' 2 3 DC H1' . . 2.930 5.341 5.302 5.454 2.524 8 11 [**-****+***] 1
225 2 2 DG H1' 2 3 DC H1' . . 3.500 5.351 5.271 5.468 1.968 8 11 [******-+***] 1
226 2 3 DC H1' 2 3 DC Q2' . . 2.020 2.297 2.275 2.327 0.307 5 0 "[ . 1 ]" 1
227 2 2 DG H3' 2 3 DC H5 . . 4.140 5.590 5.513 5.655 1.515 7 11 [***-**+****] 1
228 2 2 DG Q2' 2 3 DC H5 . . 2.400 2.977 2.911 3.026 0.626 7 11 [******+-***] 1
229 2 2 DG H1' 2 3 DC H5 . . 4.110 4.445 4.307 4.500 0.390 10 0 "[ . 1 ]" 1
230 2 2 DG H8 2 3 DC H5 . . 3.240 3.624 3.486 3.720 0.480 9 0 "[ . 1 ]" 1
231 2 3 DC Q2' 2 3 DC H5 . . 3.130 4.283 4.231 4.324 1.194 4 11 [***+****-**] 1
232 2 3 DC H1' 2 3 DC H5 . . 3.690 5.442 5.417 5.469 1.779 8 11 [**-****+***] 1
233 2 3 DC H5 2 3 DC H6 . . 2.300 2.455 2.425 2.491 0.191 8 0 "[ . 1 ]" 1
234 2 2 DG H3' 2 3 DC H6 . . 3.600 5.049 5.015 5.080 1.480 10 11 [*******-*+*] 1
235 2 2 DG Q2' 2 3 DC H6 . . 2.500 2.410 2.382 2.442 . 0 0 "[ . 1 ]" 1
236 2 2 DG H1' 2 3 DC H6 . . 2.700 3.769 3.721 3.817 1.117 10 11 [****-****+*] 1
237 2 2 DG H8 2 3 DC H6 . . 3.650 5.060 4.932 5.168 1.518 8 11 [****-**+***] 1
238 2 3 DC Q2' 2 3 DC H6 . . 2.120 2.083 2.067 2.099 . 0 0 "[ . 1 ]" 1
239 2 3 DC H1' 2 3 DC H6 . . 3.050 3.711 3.694 3.733 0.683 7 11 [****-*+****] 1
240 2 4 DA Q2' 2 4 DA H3' . . 1.790 2.219 2.194 2.264 0.474 2 0 "[ . 1 ]" 1
241 2 4 DA H2' 2 4 DA H2'' . . 1.700 1.780 1.762 1.800 0.100 2 0 "[ . 1 ]" 1
242 2 4 DA H1' 2 4 DA H3' . . 3.590 3.836 3.744 3.904 0.314 7 0 "[ . 1 ]" 1
243 2 4 DA H1' 2 4 DA Q2' . . 2.440 2.284 2.248 2.317 . 0 0 "[ . 1 ]" 1
244 2 4 DA H3' 2 4 DA H8 . . 3.410 4.321 4.227 4.466 1.056 2 11 [*+****-****] 1
245 2 4 DA Q2' 2 4 DA H8 . . 2.060 2.229 2.173 2.281 0.221 5 0 "[ . 1 ]" 1
246 2 4 DA H1' 2 4 DA H8 . . 3.500 3.863 3.839 3.901 0.401 5 0 "[ . 1 ]" 1
247 2 5 DA Q2' 2 5 DA H3' . . 1.800 2.171 2.071 2.227 0.427 8 0 "[ . 1 ]" 1
248 2 5 DA H2' 2 5 DA H2'' . . 1.700 1.785 1.759 1.803 0.103 10 0 "[ . 1 ]" 1
249 2 4 DA H1' 2 5 DA H1' . . 4.500 4.722 4.625 4.952 0.452 7 0 "[ . 1 ]" 1
250 2 5 DA H1' 2 5 DA H3' . . 3.140 3.826 3.793 3.860 0.720 9 11 [*-******+**] 1
251 2 5 DA H1' 2 5 DA Q2' . . 2.040 2.258 2.176 2.297 0.257 11 0 "[ . 1 ]" 1
252 2 4 DA Q2' 2 5 DA H8 . . 2.050 2.384 2.185 2.592 0.542 2 2 "[ + -. 1 ]" 1
253 2 4 DA H1' 2 5 DA H8 . . 3.000 3.922 3.614 4.097 1.097 2 11 [*+********-] 1
254 2 4 DA H8 2 5 DA H8 . . 3.000 4.268 3.876 4.704 1.704 7 11 [*-****+****] 1
255 2 5 DA H3' 2 5 DA H8 . . 3.210 4.043 3.418 4.354 1.144 6 8 "[- *+*****]" 1
256 2 5 DA Q2' 2 5 DA H8 . . 1.960 2.470 2.259 2.674 0.714 3 3 "[ *+-. 1 ]" 1
257 2 5 DA H1' 2 5 DA H8 . . 3.000 3.894 3.857 3.938 0.938 3 11 [**+*-******] 1
258 2 5 DA H1' 2 6 DA H3' . . 3.550 5.762 5.321 6.123 2.573 10 11 [*-*******+*] 1
259 2 6 DA Q2' 2 6 DA H3' . . 2.040 2.215 2.161 2.252 0.212 9 0 "[ . 1 ]" 1
260 2 6 DA H2' 2 6 DA H2'' . . 1.700 1.781 1.764 1.802 0.102 8 0 "[ . 1 ]" 1
261 2 5 DA H1' 2 6 DA H1' . . 4.150 5.076 4.592 5.442 1.292 10 9 "[* ***-**+*]" 1
262 2 6 DA H1' 2 6 DA H3' . . 3.000 3.808 3.766 3.881 0.881 9 11 [********+*-] 1
263 2 6 DA H1' 2 6 DA Q2' . . 2.050 2.299 2.260 2.318 0.268 7 0 "[ . 1 ]" 1
264 2 5 DA H3' 2 6 DA H8 . . 3.460 4.634 4.442 4.772 1.312 9 11 [**-*****+**] 1
265 2 5 DA Q2' 2 6 DA H8 . . 2.190 2.076 2.001 2.142 . 0 0 "[ . 1 ]" 1
266 2 5 DA H1' 2 6 DA H8 . . 2.820 3.795 3.757 3.814 0.994 3 11 [**+*******-] 1
267 2 6 DA H3' 2 6 DA H8 . . 2.950 4.380 4.220 4.507 1.557 11 11 [******-***+] 1
268 2 6 DA Q2' 2 6 DA H8 . . 2.090 2.339 2.222 2.421 0.331 11 0 "[ . 1 ]" 1
269 2 6 DA H1' 2 6 DA H8 . . 3.150 3.895 3.875 3.921 0.771 11 11 [***-******+] 1
270 2 6 DA H1' 2 7 DT H3' . . 4.670 5.538 5.354 5.685 1.015 11 11 [***-******+] 1
271 2 7 DT Q2' 2 7 DT H3' . . 2.460 2.199 2.163 2.234 . 0 0 "[ . 1 ]" 1
272 2 7 DT H2' 2 7 DT H2'' . . 1.700 1.782 1.756 1.802 0.102 2 0 "[ . 1 ]" 1
273 2 6 DA Q2' 2 7 DT Q2' . . 4.000 3.906 3.814 4.070 0.070 3 0 "[ . 1 ]" 1
274 2 6 DA H1' 2 7 DT Q2' . . 4.000 4.855 4.748 4.972 0.972 3 11 [*-+********] 1
275 2 6 DA Q2' 2 7 DT H1' . . 3.710 5.180 5.021 5.347 1.637 11 11 [******-***+] 1
276 2 6 DA H1' 2 7 DT H1' . . 4.330 4.953 4.629 5.168 0.838 11 9 "[* * **-***+]" 1
277 2 7 DT H1' 2 7 DT H3' . . 3.690 3.788 3.739 3.828 0.138 6 0 "[ . 1 ]" 1
278 2 7 DT H1' 2 7 DT Q2' . . 2.120 2.288 2.256 2.323 0.203 10 0 "[ . 1 ]" 1
279 2 5 DA Q2' 2 7 DT M7 . . 2.440 4.399 4.159 4.520 2.080 9 11 [***-****+**] 1
280 2 5 DA H1' 2 7 DT M7 . . 3.930 6.142 6.003 6.262 2.332 1 11 [+*-********] 1
281 2 6 DA H3' 2 7 DT M7 . . 3.910 4.606 4.418 4.807 0.897 4 11 [***+****-**] 1
282 2 6 DA Q2' 2 7 DT M7 . . 2.800 2.506 2.341 2.737 . 0 0 "[ . 1 ]" 1
283 2 6 DA H1' 2 7 DT M7 . . 3.980 4.157 4.022 4.316 0.336 4 0 "[ . 1 ]" 1
284 2 6 DA H8 2 7 DT M7 . . 2.520 2.982 2.825 3.166 0.646 1 2 "[+ . 1-]" 1
285 2 7 DT H3' 2 7 DT M7 . . 4.580 5.676 5.631 5.776 1.196 1 11 [+-*********] 1
286 2 7 DT Q2' 2 7 DT M7 . . 2.920 3.901 3.843 3.968 1.048 1 11 [+*********-] 1
287 2 7 DT H1' 2 7 DT M7 . . 4.040 5.203 5.172 5.218 1.178 8 11 [-******+***] 1
288 2 6 DA H3' 2 7 DT H6 . . 3.520 5.108 4.999 5.214 1.694 4 11 [***+****-**] 1
289 2 6 DA Q2' 2 7 DT H6 . . 2.150 2.361 2.256 2.461 0.311 4 0 "[ . 1 ]" 1
290 2 6 DA H1' 2 7 DT H6 . . 2.990 3.587 3.540 3.638 0.648 3 11 [**+****-***] 1
291 2 6 DA H8 2 7 DT H6 . . 3.500 4.871 4.573 5.074 1.574 11 11 [***-******+] 1
292 2 7 DT H3' 2 7 DT H6 . . 3.480 4.127 4.076 4.205 0.725 9 11 [**-*****+**] 1
293 2 7 DT Q2' 2 7 DT H6 . . 2.190 2.316 2.290 2.376 0.186 7 0 "[ . 1 ]" 1
294 2 7 DT H1' 2 7 DT H6 . . 3.370 3.735 3.713 3.758 0.388 10 0 "[ . 1 ]" 1
295 2 7 DT H6 2 7 DT M7 . . 2.540 2.266 2.224 2.437 . 0 0 "[ . 1 ]" 1
296 2 8 DT Q2' 2 8 DT H3' . . 2.640 2.210 2.181 2.250 . 0 0 "[ . 1 ]" 1
297 2 7 DT H1' 2 8 DT Q2' . . 3.000 5.048 4.890 5.141 2.141 5 11 [****+***-**] 1
298 2 8 DT H2' 2 8 DT H2'' . . 1.700 1.783 1.760 1.810 0.110 6 0 "[ . 1 ]" 1
299 2 7 DT Q2' 2 8 DT Q2' . . 4.000 3.721 3.675 3.807 . 0 0 "[ . 1 ]" 1
300 2 7 DT H1' 2 8 DT H1' . . 4.480 5.492 5.340 5.641 1.161 7 11 [******+*-**] 1
301 2 8 DT H1' 2 8 DT H3' . . 3.700 3.777 3.755 3.803 0.103 5 0 "[ . 1 ]" 1
302 2 8 DT H1' 2 8 DT Q2' . . 2.140 2.273 2.223 2.321 0.181 10 0 "[ . 1 ]" 1
303 2 6 DA Q2' 2 8 DT M7 . . 4.000 4.734 4.564 4.860 0.860 4 11 [***+-******] 1
304 2 6 DA H1' 2 8 DT M7 . . 4.330 6.105 5.953 6.197 1.867 1 11 [+***-******] 1
305 2 6 DA H8 2 8 DT M7 . . 3.630 6.732 6.535 6.916 3.286 6 11 [***-*+*****] 1
306 2 7 DT H3' 2 8 DT M7 . . 3.910 4.175 3.920 4.275 0.365 10 0 "[ . 1 ]" 1
307 2 7 DT Q2' 2 8 DT M7 . . 2.680 2.267 2.090 2.346 . 0 0 "[ . 1 ]" 1
308 2 7 DT H1' 2 8 DT M7 . . 3.620 4.072 3.946 4.182 0.562 4 3 "[ * +. - ]" 1
309 2 7 DT H6 2 8 DT M7 . . 2.500 3.042 2.847 3.233 0.733 1 8 "[+*-*.* **1*]" 1
310 2 8 DT Q2' 2 8 DT M7 . . 2.630 3.836 3.783 3.912 1.282 1 11 [+*****-****] 1
311 2 8 DT H1' 2 8 DT M7 . . 3.640 5.185 5.152 5.209 1.569 6 11 [*****+****-] 1
312 2 7 DT H3' 2 8 DT H6 . . 4.320 4.915 4.824 4.981 0.661 10 11 [******-**+*] 1
313 2 7 DT Q2' 2 8 DT H6 . . 2.520 2.293 2.242 2.340 . 0 0 "[ . 1 ]" 1
314 2 7 DT H1' 2 8 DT H6 . . 3.140 3.945 3.855 4.035 0.895 4 11 [***+****-**] 1
315 2 7 DT M7 2 8 DT H6 . . 3.430 5.830 5.691 5.994 2.564 6 11 [*****+***-*] 1
316 2 7 DT H6 2 8 DT H6 . . 3.770 5.281 5.183 5.409 1.639 6 11 [*****+***-*] 1
317 2 8 DT H3' 2 8 DT H6 . . 3.920 4.186 4.128 4.259 0.339 10 0 "[ . 1 ]" 1
318 2 8 DT Q2' 2 8 DT H6 . . 2.170 2.154 2.109 2.181 0.011 10 0 "[ . 1 ]" 1
319 2 8 DT H1' 2 8 DT H6 . . 3.030 3.724 3.694 3.746 0.716 6 11 [*-***+*****] 1
320 2 8 DT H6 2 8 DT M7 . . 2.610 2.246 2.203 2.368 . 0 0 "[ . 1 ]" 1
321 2 8 DT Q2' 2 9 DC H5 . . 3.000 3.331 3.241 3.434 0.434 11 0 "[ . 1 ]" 1
322 2 8 DT H1' 2 9 DC H5 . . 4.360 5.063 4.985 5.207 0.847 10 11 [********-+*] 1
323 2 8 DT M7 2 9 DC H5 . . 4.500 3.777 3.725 3.856 . 0 0 "[ . 1 ]" 1
324 2 8 DT H6 2 9 DC H5 . . 3.440 3.923 3.812 4.121 0.681 11 5 "[ * *- * 1+]" 1
325 2 9 DC H5 2 9 DC H6 . . 2.300 2.439 2.408 2.468 0.168 6 0 "[ . 1 ]" 1
326 2 9 DC Q2' 2 9 DC H5 . . 3.110 4.271 4.254 4.291 1.181 11 11 [*********-+] 1
327 2 9 DC Q2' 2 9 DC H3' . . 2.430 2.199 2.171 2.259 . 0 0 "[ . 1 ]" 1
328 2 9 DC H2' 2 9 DC H2'' . . 1.700 1.781 1.758 1.806 0.106 10 0 "[ . 1 ]" 1
329 2 8 DT Q2' 2 9 DC Q2' . . 3.120 4.101 4.062 4.171 1.051 8 11 [*****-*+***] 1
330 2 8 DT H1' 2 9 DC Q2' . . 4.000 4.982 4.907 5.030 1.030 4 11 [***+**-****] 1
331 2 8 DT H1' 2 9 DC H1' . . 4.420 4.511 4.406 4.583 0.163 4 0 "[ . 1 ]" 1
332 2 9 DC H1' 2 9 DC Q2' . . 2.100 2.233 2.180 2.281 0.181 5 0 "[ . 1 ]" 1
333 2 9 DC H1' 2 9 DC H3' . . 3.000 3.866 3.833 3.900 0.900 2 11 [*+**-******] 1
334 2 8 DT Q2' 2 9 DC H6 . . 2.500 2.390 2.351 2.432 . 0 0 "[ . 1 ]" 1
335 2 8 DT H1' 2 9 DC H6 . . 3.100 3.812 3.760 3.860 0.760 4 11 [***+****-**] 1
336 2 8 DT M7 2 9 DC H6 . . 5.000 5.284 5.165 5.397 0.397 5 0 "[ . 1 ]" 1
337 2 8 DT H6 2 9 DC H6 . . 3.500 4.676 4.553 4.796 1.296 5 11 [****+****-*] 1
338 2 8 DT H3' 2 9 DC H6 . . 4.000 5.060 5.007 5.117 1.117 11 11 [*****-****+] 1
339 2 9 DC H3' 2 9 DC H6 . . 3.480 3.628 3.547 3.731 0.251 5 0 "[ . 1 ]" 1
340 2 9 DC Q2' 2 9 DC H6 . . 2.400 2.376 2.333 2.407 0.007 7 0 "[ . 1 ]" 1
341 2 9 DC H1' 2 9 DC H6 . . 3.570 3.727 3.706 3.765 0.195 7 0 "[ . 1 ]" 1
342 2 9 DC Q2' 2 10 DG Q2' . . 3.500 3.775 3.595 4.329 0.829 6 2 "[ -+ 1 ]" 1
343 2 10 DG Q2' 2 10 DG H3' . . 1.850 2.187 2.096 2.216 0.366 11 0 "[ . 1 ]" 1
344 2 10 DG H1' 2 10 DG H3' . . 3.030 3.831 3.791 3.918 0.888 6 11 [*****+**-**] 1
345 2 10 DG H1' 2 10 DG Q2' . . 1.790 2.285 2.226 2.335 0.545 9 3 "[ . -+* ]" 1
346 2 9 DC Q2' 2 10 DG H8 . . 2.550 2.738 2.671 2.881 0.331 5 0 "[ . 1 ]" 1
347 2 9 DC H1' 2 10 DG H8 . . 4.600 4.826 4.627 5.160 0.560 5 1 "[ + 1 ]" 1
348 2 9 DC H6 2 10 DG H8 . . 4.200 4.897 4.655 5.052 0.852 6 10 [**-*.+*****] 1
349 2 9 DC H3' 2 10 DG H8 . . 5.000 4.987 4.915 5.075 0.075 10 0 "[ . 1 ]" 1
350 2 10 DG H3' 2 10 DG H8 . . 3.080 4.240 3.511 4.416 1.336 10 10 [-***.****+*] 1
351 2 10 DG Q2' 2 10 DG H8 . . 1.680 2.310 2.250 2.411 0.731 6 11 [*-***+*****] 1
352 2 10 DG H1' 2 10 DG H8 . . 3.220 3.896 3.868 3.921 0.701 8 11 [*-*****+***] 1
353 2 10 DG H1' 2 11 DC H3' . . 4.000 5.475 5.087 5.600 1.600 8 11 [****-**+***] 1
354 2 10 DG Q2' 2 11 DC Q2' . . 2.140 3.681 3.444 3.778 1.638 11 11 [****-*****+] 1
355 2 10 DG H1' 2 11 DC Q2' . . 2.860 4.658 4.347 4.768 1.908 11 11 [****-*****+] 1
356 2 11 DC Q2' 2 11 DC H3' . . 2.040 2.194 2.174 2.221 0.181 8 0 "[ . 1 ]" 1
357 2 11 DC H2' 2 11 DC H2'' . . 1.700 1.789 1.775 1.804 0.104 2 0 "[ . 1 ]" 1
358 2 10 DG Q2' 2 11 DC H1' . . 3.000 5.068 4.798 5.176 2.176 10 11 [****-****+*] 1
359 2 10 DG H1' 2 11 DC H1' . . 2.290 4.853 4.437 4.999 2.709 10 11 [****-****+*] 1
360 2 11 DC H1' 2 11 DC H3' . . 2.500 3.799 3.779 3.827 1.327 11 11 [*********-+] 1
361 2 11 DC H1' 2 11 DC Q2' . . 1.780 2.261 2.241 2.282 0.502 4 1 "[ +. 1 ]" 1
362 2 10 DG H3' 2 11 DC H5 . . 3.480 5.487 5.195 5.588 2.108 9 11 [*****-**+**] 1
363 2 10 DG Q2' 2 11 DC H5 . . 2.500 2.969 2.772 3.065 0.565 7 5 "[ **. + *1-]" 1
364 2 10 DG H1' 2 11 DC H5 . . 3.250 4.484 4.375 4.577 1.327 9 11 [*****-**+**] 1
365 2 10 DG H8 2 11 DC H5 . . 3.010 3.677 3.389 4.096 1.086 6 10 "[*** *+**-**]" 1
366 2 11 DC H3' 2 11 DC H5 . . 3.460 6.462 6.344 6.548 3.088 10 11 [*********+-] 1
367 2 11 DC Q2' 2 11 DC H5 . . 3.000 4.239 4.167 4.304 1.304 5 11 [****+***-**] 1
368 2 11 DC H1' 2 11 DC H5 . . 2.950 5.449 5.403 5.468 2.518 7 11 [*-****+****] 1
369 2 11 DC H5 2 11 DC H6 . . 2.300 2.451 2.388 2.497 0.197 4 0 "[ . 1 ]" 1
370 2 10 DG H3' 2 11 DC H6 . . 3.500 4.933 4.799 5.021 1.521 11 11 [*****-****+] 1
371 2 10 DG Q2' 2 11 DC H6 . . 2.090 2.201 2.115 2.247 0.157 3 0 "[ . 1 ]" 1
372 2 10 DG H1' 2 11 DC H6 . . 2.670 3.515 3.432 3.576 0.906 3 11 [**+*-******] 1
373 2 10 DG H8 2 11 DC H6 . . 2.800 4.894 4.690 5.317 2.517 6 11 [***-*+*****] 1
374 2 11 DC H3' 2 11 DC H6 . . 3.110 4.030 3.899 4.121 1.011 10 11 [*********+-] 1
375 2 11 DC Q2' 2 11 DC H6 . . 1.820 2.134 2.102 2.157 0.337 3 0 "[ . 1 ]" 1
376 2 11 DC H1' 2 11 DC H6 . . 2.730 3.720 3.682 3.749 1.019 10 11 [***-*****+*] 1
377 2 11 DC H1' 2 12 DG H3' . . 4.000 5.733 5.551 5.952 1.952 5 11 [*-**+******] 1
378 2 11 DC Q2' 2 12 DG Q2' . . 2.720 3.168 3.027 3.273 0.553 5 3 "[ + - 1*]" 1
379 2 11 DC H1' 2 12 DG Q2' . . 3.190 4.677 4.583 4.856 1.666 5 11 [****+****-*] 1
380 2 12 DG Q2' 2 12 DG H3' . . 1.990 2.222 2.190 2.245 0.255 6 0 "[ . 1 ]" 1
381 2 12 DG H2' 2 12 DG H2'' . . 1.700 1.798 1.783 1.815 0.115 8 0 "[ . 1 ]" 1
382 2 11 DC H1' 2 12 DG H1' . . 2.740 5.089 4.957 5.181 2.441 3 11 [*-+********] 1
383 2 12 DG H1' 2 12 DG H3' . . 3.210 3.696 3.627 3.735 0.525 6 3 "[ -.+* 1 ]" 1
384 2 12 DG H1' 2 12 DG Q2' . . 1.760 2.327 2.311 2.346 0.586 11 11 [****-*****+] 1
385 2 11 DC H3' 2 12 DG H8 . . 3.340 4.985 4.922 5.029 1.689 7 11 [****-*+****] 1
386 2 11 DC Q2' 2 12 DG H8 . . 2.500 2.407 2.389 2.431 . 0 0 "[ . 1 ]" 1
387 2 11 DC H1' 2 12 DG H8 . . 3.320 3.996 3.910 4.088 0.768 11 11 [*********-+] 1
388 2 11 DC H6 2 12 DG H8 . . 2.430 4.241 4.069 4.447 2.017 11 11 [*-********+] 1
389 2 12 DG H3' 2 12 DG H8 . . 2.890 4.605 4.526 4.681 1.791 3 11 [**+*-******] 1
390 2 12 DG Q2' 2 12 DG H8 . . 1.850 2.340 2.292 2.386 0.536 7 4 "[ .*+- * ]" 1
391 2 12 DG H1' 2 12 DG H8 . . 2.760 3.898 3.879 3.936 1.176 7 11 [****-*+****] 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 462
_Distance_constraint_stats_list.Viol_total 573.192
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0554
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1128
_Distance_constraint_stats_list.Viol_average_violations_only 0.1128
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 5.784 0.177 8 0 "[ . 1 ]"
1 2 DG 4.804 0.163 6 0 "[ . 1 ]"
1 3 DC 5.323 0.176 8 0 "[ . 1 ]"
1 5 DA 5.176 0.238 7 0 "[ . 1 ]"
1 6 DA 5.352 0.252 2 0 "[ . 1 ]"
1 7 DT 4.872 0.211 6 0 "[ . 1 ]"
1 8 DT 5.540 0.250 6 0 "[ . 1 ]"
1 10 DG 5.196 0.163 4 0 "[ . 1 ]"
1 11 DC 4.718 0.125 11 0 "[ . 1 ]"
1 12 DG 5.343 0.172 6 0 "[ . 1 ]"
2 1 DC 5.343 0.172 6 0 "[ . 1 ]"
2 2 DG 4.718 0.125 11 0 "[ . 1 ]"
2 3 DC 5.196 0.163 4 0 "[ . 1 ]"
2 5 DA 5.540 0.250 6 0 "[ . 1 ]"
2 6 DA 4.872 0.211 6 0 "[ . 1 ]"
2 7 DT 5.352 0.252 2 0 "[ . 1 ]"
2 8 DT 5.176 0.238 7 0 "[ . 1 ]"
2 10 DG 5.323 0.176 8 0 "[ . 1 ]"
2 11 DC 4.804 0.163 6 0 "[ . 1 ]"
2 12 DG 5.784 0.177 8 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC H42 2 12 DG O6 . . 1.800 1.920 1.881 1.977 0.177 8 0 "[ . 1 ]" 2
2 1 1 DC N3 2 12 DG H1 . . 1.840 1.943 1.913 1.984 0.144 7 0 "[ . 1 ]" 2
3 1 1 DC N3 2 12 DG N1 . . 2.850 2.948 2.918 2.991 0.141 7 0 "[ . 1 ]" 2
4 1 1 DC N4 2 12 DG O6 . . 2.810 2.922 2.884 2.981 0.171 8 0 "[ . 1 ]" 2
5 1 1 DC O2 2 12 DG H22 . . 1.750 1.843 1.810 1.887 0.137 2 0 "[ . 1 ]" 2
6 1 2 DG H1 2 11 DC N3 . . 1.840 1.940 1.921 1.972 0.132 2 0 "[ . 1 ]" 2
7 1 2 DG H22 2 11 DC O2 . . 1.750 1.824 1.761 1.878 0.128 2 0 "[ . 1 ]" 2
8 1 2 DG N1 2 11 DC N3 . . 2.850 2.940 2.921 2.973 0.123 2 0 "[ . 1 ]" 2
9 1 2 DG O6 2 11 DC H42 . . 1.800 1.888 1.854 1.963 0.163 6 0 "[ . 1 ]" 2
10 1 2 DG O6 2 11 DC N4 . . 2.810 2.895 2.861 2.972 0.162 6 0 "[ . 1 ]" 2
11 1 3 DC H42 2 10 DG O6 . . 1.800 1.884 1.824 1.946 0.146 11 0 "[ . 1 ]" 2
12 1 3 DC N3 2 10 DG H1 . . 1.840 1.966 1.929 2.016 0.176 8 0 "[ . 1 ]" 2
13 1 3 DC N3 2 10 DG N1 . . 2.850 2.956 2.929 3.007 0.157 8 0 "[ . 1 ]" 2
14 1 3 DC N4 2 10 DG O6 . . 2.810 2.886 2.825 2.942 0.132 11 0 "[ . 1 ]" 2
15 1 3 DC O2 2 10 DG H22 . . 1.750 1.842 1.802 1.912 0.162 9 0 "[ . 1 ]" 2
16 1 5 DA H61 2 8 DT O4 . . 1.840 1.883 1.848 1.941 0.101 7 0 "[ . 1 ]" 2
17 1 5 DA N1 2 8 DT H3 . . 1.710 1.927 1.896 1.948 0.238 7 0 "[ . 1 ]" 2
18 1 5 DA N1 2 8 DT N3 . . 2.720 2.931 2.903 2.958 0.238 7 0 "[ . 1 ]" 2
19 1 6 DA H61 2 7 DT O4 . . 1.840 1.920 1.881 1.995 0.155 2 0 "[ . 1 ]" 2
20 1 6 DA N1 2 7 DT H3 . . 1.710 1.915 1.874 1.962 0.252 2 0 "[ . 1 ]" 2
21 1 6 DA N1 2 7 DT N3 . . 2.720 2.922 2.883 2.970 0.250 2 0 "[ . 1 ]" 2
22 1 7 DT H3 2 6 DA N1 . . 1.710 1.903 1.886 1.921 0.211 6 0 "[ . 1 ]" 2
23 1 7 DT N3 2 6 DA N1 . . 2.720 2.911 2.895 2.929 0.209 6 0 "[ . 1 ]" 2
24 1 7 DT O4 2 6 DA H61 . . 1.840 1.899 1.853 1.969 0.129 7 0 "[ . 1 ]" 2
25 1 8 DT H3 2 5 DA N1 . . 1.710 1.932 1.885 1.960 0.250 6 0 "[ . 1 ]" 2
26 1 8 DT N3 2 5 DA N1 . . 2.720 2.937 2.885 2.969 0.249 6 0 "[ . 1 ]" 2
27 1 8 DT O4 2 5 DA H61 . . 1.840 1.905 1.863 1.951 0.111 9 0 "[ . 1 ]" 2
28 1 10 DG H1 2 3 DC N3 . . 1.840 1.969 1.942 2.003 0.163 4 0 "[ . 1 ]" 2
29 1 10 DG H22 2 3 DC O2 . . 1.750 1.846 1.805 1.908 0.158 2 0 "[ . 1 ]" 2
30 1 10 DG N1 2 3 DC N3 . . 2.850 2.960 2.933 2.998 0.148 2 0 "[ . 1 ]" 2
31 1 10 DG O6 2 3 DC H42 . . 1.800 1.871 1.803 1.952 0.152 4 0 "[ . 1 ]" 2
32 1 10 DG O6 2 3 DC N4 . . 2.810 2.877 2.812 2.955 0.145 4 0 "[ . 1 ]" 2
33 1 11 DC H42 2 2 DG O6 . . 1.800 1.879 1.839 1.920 0.120 6 0 "[ . 1 ]" 2
34 1 11 DC N3 2 2 DG H1 . . 1.840 1.940 1.904 1.965 0.125 11 0 "[ . 1 ]" 2
35 1 11 DC N3 2 2 DG N1 . . 2.850 2.939 2.910 2.966 0.116 8 0 "[ . 1 ]" 2
36 1 11 DC N4 2 2 DG O6 . . 2.810 2.885 2.845 2.923 0.113 10 0 "[ . 1 ]" 2
37 1 11 DC O2 2 2 DG H22 . . 1.750 1.835 1.799 1.860 0.110 4 0 "[ . 1 ]" 2
38 1 12 DG H1 2 1 DC N3 . . 1.840 1.942 1.891 1.977 0.137 6 0 "[ . 1 ]" 2
39 1 12 DG H22 2 1 DC O2 . . 1.750 1.852 1.816 1.903 0.153 4 0 "[ . 1 ]" 2
40 1 12 DG N1 2 1 DC N3 . . 2.850 2.947 2.897 2.974 0.124 6 0 "[ . 1 ]" 2
41 1 12 DG O6 2 1 DC H42 . . 1.800 1.898 1.832 1.972 0.172 6 0 "[ . 1 ]" 2
42 1 12 DG O6 2 1 DC N4 . . 2.810 2.896 2.842 2.948 0.138 6 0 "[ . 1 ]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 2:24:23 AM GMT (wattos1)