NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412583 |
2bdo   |
4426 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2bdo
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 759
_Distance_constraint_stats_list.Viol_count 1196
_Distance_constraint_stats_list.Viol_total 1830.102
_Distance_constraint_stats_list.Viol_max 0.716
_Distance_constraint_stats_list.Viol_rms 0.0351
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0665
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 ILE 0.898 0.293 22 0 "[ . 1 . 2 ]"
1 3 SER 0.367 0.246 16 0 "[ . 1 . 2 ]"
1 4 GLY 0.474 0.246 16 0 "[ . 1 . 2 ]"
1 5 HIS 0.477 0.154 16 0 "[ . 1 . 2 ]"
1 6 ILE 1.214 0.343 19 0 "[ . 1 . 2 ]"
1 7 VAL 0.142 0.022 7 0 "[ . 1 . 2 ]"
1 8 ARG 0.012 0.012 3 0 "[ . 1 . 2 ]"
1 9 SER 0.055 0.018 10 0 "[ . 1 . 2 ]"
1 10 PRO 0.297 0.071 14 0 "[ . 1 . 2 ]"
1 11 MET 0.016 0.016 1 0 "[ . 1 . 2 ]"
1 12 VAL 0.452 0.167 14 0 "[ . 1 . 2 ]"
1 13 GLY 0.002 0.002 17 0 "[ . 1 . 2 ]"
1 14 THR 0.212 0.047 10 0 "[ . 1 . 2 ]"
1 15 PHE 0.449 0.106 23 0 "[ . 1 . 2 ]"
1 16 TYR 5.749 0.213 8 0 "[ . 1 . 2 ]"
1 17 ARG 1.919 0.149 1 0 "[ . 1 . 2 ]"
1 18 THR 1.350 0.149 1 0 "[ . 1 . 2 ]"
1 19 PRO 1.567 0.239 1 0 "[ . 1 . 2 ]"
1 20 SER 1.784 0.239 1 0 "[ . 1 . 2 ]"
1 21 PRO 0.793 0.218 18 0 "[ . 1 . 2 ]"
1 22 ASP 0.769 0.218 18 0 "[ . 1 . 2 ]"
1 23 ALA 0.746 0.099 8 0 "[ . 1 . 2 ]"
1 24 LYS 0.268 0.056 12 0 "[ . 1 . 2 ]"
1 25 ALA 1.763 0.169 21 0 "[ . 1 . 2 ]"
1 26 PHE 0.478 0.135 21 0 "[ . 1 . 2 ]"
1 27 ILE 0.391 0.054 21 0 "[ . 1 . 2 ]"
1 28 GLU 2.319 0.210 8 0 "[ . 1 . 2 ]"
1 29 VAL 0.421 0.041 13 0 "[ . 1 . 2 ]"
1 30 GLY 0.166 0.028 2 0 "[ . 1 . 2 ]"
1 31 GLN 2.737 0.202 12 0 "[ . 1 . 2 ]"
1 32 LYS 2.619 0.202 12 0 "[ . 1 . 2 ]"
1 33 VAL 0.637 0.192 13 0 "[ . 1 . 2 ]"
1 34 ASN 0.969 0.210 9 0 "[ . 1 . 2 ]"
1 35 VAL 0.074 0.032 16 0 "[ . 1 . 2 ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ASP 2.165 0.079 3 0 "[ . 1 . 2 ]"
1 38 THR 0.150 0.032 13 0 "[ . 1 . 2 ]"
1 39 LEU 0.729 0.063 9 0 "[ . 1 . 2 ]"
1 40 CYS 0.159 0.042 3 0 "[ . 1 . 2 ]"
1 41 ILE 5.065 0.186 9 0 "[ . 1 . 2 ]"
1 42 VAL 15.660 0.716 1 23 [+*-********************]
1 43 GLU 16.383 0.716 1 23 [+*-********************]
1 44 ALA 0.719 0.078 9 0 "[ . 1 . 2 ]"
1 45 MET 1.454 0.131 5 0 "[ . 1 . 2 ]"
1 46 LYS 0.596 0.079 21 0 "[ . 1 . 2 ]"
1 47 MET 12.785 0.669 9 11 "[* .* +1-* ** * 2***]"
1 48 MET 15.088 0.669 9 11 "[* .* +1-* ** * 2***]"
1 49 ASN 1.146 0.081 14 0 "[ . 1 . 2 ]"
1 50 GLN 1.689 0.168 12 0 "[ . 1 . 2 ]"
1 51 ILE 0.800 0.063 9 0 "[ . 1 . 2 ]"
1 52 GLU 0.075 0.022 2 0 "[ . 1 . 2 ]"
1 53 ALA 0.416 0.053 13 0 "[ . 1 . 2 ]"
1 54 ASP 0.004 0.004 12 0 "[ . 1 . 2 ]"
1 55 LYS 0.098 0.036 13 0 "[ . 1 . 2 ]"
1 56 SER 0.498 0.066 13 0 "[ . 1 . 2 ]"
1 57 GLY 0.334 0.191 13 0 "[ . 1 . 2 ]"
1 58 THR 0.455 0.191 13 0 "[ . 1 . 2 ]"
1 59 VAL 0.287 0.034 12 0 "[ . 1 . 2 ]"
1 60 LYS 0.448 0.073 7 0 "[ . 1 . 2 ]"
1 61 ALA 0.308 0.041 13 0 "[ . 1 . 2 ]"
1 62 ILE 1.206 0.088 23 0 "[ . 1 . 2 ]"
1 63 LEU 1.542 0.298 13 0 "[ . 1 . 2 ]"
1 64 VAL 0.917 0.106 23 0 "[ . 1 . 2 ]"
1 65 GLU 5.801 0.440 8 0 "[ . 1 . 2 ]"
1 66 SER 7.202 0.440 8 0 "[ . 1 . 2 ]"
1 67 GLY 3.011 0.230 13 0 "[ . 1 . 2 ]"
1 68 GLN 0.734 0.063 1 0 "[ . 1 . 2 ]"
1 69 PRO 0.081 0.041 6 0 "[ . 1 . 2 ]"
1 70 VAL 0.140 0.085 10 0 "[ . 1 . 2 ]"
1 71 GLU 0.456 0.167 14 0 "[ . 1 . 2 ]"
1 72 PHE 4.360 0.213 11 0 "[ . 1 . 2 ]"
1 73 ASP 0.106 0.049 1 0 "[ . 1 . 2 ]"
1 74 GLU 1.236 0.114 10 0 "[ . 1 . 2 ]"
1 75 PRO 0.540 0.114 10 0 "[ . 1 . 2 ]"
1 76 LEU 0.439 0.050 10 0 "[ . 1 . 2 ]"
1 77 VAL 0.120 0.022 7 0 "[ . 1 . 2 ]"
1 78 VAL 1.173 0.102 7 0 "[ . 1 . 2 ]"
1 79 ILE 1.131 0.154 16 0 "[ . 1 . 2 ]"
1 80 GLU 0.165 0.034 12 0 "[ . 1 . 2 ]"
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 GLU HA 1 1 GLU QB 2.800 . 2.800 2.367 2.155 2.540 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 GLU HA 1 2 ILE H 2.800 . 2.800 2.349 2.140 2.689 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 GLU QB 1 2 ILE H 5.000 . 5.000 3.386 2.107 4.033 . 0 0 "[ . 1 . 2 ]" 1
4 1 2 ILE HA 1 3 SER H 2.800 . 2.800 2.316 2.141 2.846 0.046 22 0 "[ . 1 . 2 ]" 1
5 1 2 ILE MG 1 3 SER H 5.000 . 5.000 3.788 3.152 4.236 . 0 0 "[ . 1 . 2 ]" 1
6 1 2 ILE H 1 2 ILE HB 3.500 . 3.500 3.255 2.453 3.793 0.293 22 0 "[ . 1 . 2 ]" 1
7 1 2 ILE H 1 2 ILE QG 5.000 . 5.000 3.533 1.870 4.443 . 0 0 "[ . 1 . 2 ]" 1
8 1 3 SER HA 1 3 SER QB 2.800 . 2.800 2.331 2.157 2.540 . 0 0 "[ . 1 . 2 ]" 1
9 1 3 SER HA 1 4 GLY H 3.200 2.200 3.200 2.891 2.153 3.446 0.246 16 0 "[ . 1 . 2 ]" 1
10 1 3 SER QB 1 4 GLY H 5.000 . 5.000 3.814 3.362 4.040 . 0 0 "[ . 1 . 2 ]" 1
11 1 2 ILE HB 1 3 SER H 5.000 . 5.000 3.491 1.957 4.499 . 0 0 "[ . 1 . 2 ]" 1
12 1 2 ILE QG 1 3 SER H 5.000 . 5.000 2.992 1.914 4.174 . 0 0 "[ . 1 . 2 ]" 1
13 1 2 ILE MD 1 4 GLY QA 2.800 . 2.800 2.641 2.079 2.801 0.001 14 0 "[ . 1 . 2 ]" 1
14 1 4 GLY QA 1 5 HIS H 2.800 . 2.800 2.182 2.111 2.281 . 0 0 "[ . 1 . 2 ]" 1
15 1 4 GLY QA 1 79 ILE MD 5.000 . 5.000 4.906 4.427 5.119 0.119 16 0 "[ . 1 . 2 ]" 1
16 1 4 GLY QA 1 80 GLU HA 3.500 . 3.500 2.730 1.871 3.430 . 0 0 "[ . 1 . 2 ]" 1
17 1 2 ILE MG 1 4 GLY H 5.000 . 5.000 3.826 2.070 4.962 . 0 0 "[ . 1 . 2 ]" 1
18 1 5 HIS QB 1 55 LYS QD 5.000 . 5.000 3.278 1.922 4.396 . 0 0 "[ . 1 . 2 ]" 1
19 1 5 HIS QB 1 79 ILE HB 5.000 . 5.000 3.859 1.802 4.996 . 0 0 "[ . 1 . 2 ]" 1
20 1 5 HIS HD1 1 55 LYS QG 5.000 . 5.000 3.422 1.872 4.794 . 0 0 "[ . 1 . 2 ]" 1
21 1 5 HIS HD2 1 7 VAL QG 5.000 . 5.000 4.667 3.320 5.021 0.021 7 0 "[ . 1 . 2 ]" 1
22 1 5 HIS HD2 1 79 ILE HB 5.000 . 5.000 2.777 1.868 5.154 0.154 16 0 "[ . 1 . 2 ]" 1
23 1 5 HIS HD2 1 79 ILE MD 5.000 . 5.000 2.960 1.739 4.622 . 0 0 "[ . 1 . 2 ]" 1
24 1 5 HIS HD2 1 79 ILE MG 5.000 . 5.000 3.574 2.300 5.038 0.038 16 0 "[ . 1 . 2 ]" 1
25 1 5 HIS HE1 1 79 ILE HB 5.000 . 5.000 4.642 3.878 5.026 0.026 17 0 "[ . 1 . 2 ]" 1
26 1 5 HIS H 1 5 HIS QB 3.500 . 3.500 3.204 2.539 3.403 . 0 0 "[ . 1 . 2 ]" 1
27 1 5 HIS H 1 78 VAL HB 5.000 . 5.000 4.822 4.143 5.017 0.017 17 0 "[ . 1 . 2 ]" 1
28 1 5 HIS H 1 78 VAL QG 5.000 . 5.000 4.915 4.408 5.038 0.038 9 0 "[ . 1 . 2 ]" 1
29 1 5 HIS H 1 79 ILE H 3.500 . 3.500 3.217 2.657 3.515 0.015 4 0 "[ . 1 . 2 ]" 1
30 1 6 ILE HA 1 7 VAL H 2.800 . 2.800 2.165 2.137 2.290 . 0 0 "[ . 1 . 2 ]" 1
31 1 6 ILE HA 1 78 VAL HA 2.800 . 2.800 1.998 1.859 2.319 . 0 0 "[ . 1 . 2 ]" 1
32 1 6 ILE HB 1 6 ILE MD 2.800 . 2.800 2.599 2.330 3.143 0.343 19 0 "[ . 1 . 2 ]" 1
33 1 6 ILE HB 1 6 ILE QG 2.800 . 2.800 2.272 2.156 2.369 . 0 0 "[ . 1 . 2 ]" 1
34 1 6 ILE HB 1 7 VAL H 5.000 . 5.000 4.252 3.963 4.477 . 0 0 "[ . 1 . 2 ]" 1
35 1 6 ILE MD 1 78 VAL HB 2.800 . 2.800 2.732 2.105 2.902 0.102 7 0 "[ . 1 . 2 ]" 1
36 1 6 ILE QG 1 6 ILE MG 2.800 . 2.800 2.340 2.073 2.626 . 0 0 "[ . 1 . 2 ]" 1
37 1 6 ILE MG 1 7 VAL H 3.500 . 3.500 2.680 2.108 3.508 0.008 19 0 "[ . 1 . 2 ]" 1
38 1 6 ILE MG 1 8 ARG QG 5.000 . 5.000 4.095 2.462 4.996 . 0 0 "[ . 1 . 2 ]" 1
39 1 6 ILE MG 1 78 VAL HB 3.500 2.500 3.500 3.381 3.004 3.524 0.024 13 0 "[ . 1 . 2 ]" 1
40 1 6 ILE H 1 6 ILE HB 2.800 . 2.800 2.636 2.426 2.838 0.038 7 0 "[ . 1 . 2 ]" 1
41 1 6 ILE H 1 6 ILE MD 5.000 . 5.000 3.374 1.776 4.592 . 0 0 "[ . 1 . 2 ]" 1
42 1 6 ILE H 1 6 ILE HG13 5.000 . 5.000 3.330 2.394 4.025 . 0 0 "[ . 1 . 2 ]" 1
43 1 6 ILE H 1 6 ILE HG12 5.000 . 5.000 3.577 2.410 4.296 . 0 0 "[ . 1 . 2 ]" 1
44 1 7 VAL HA 1 8 ARG H 2.800 . 2.800 2.199 2.138 2.295 . 0 0 "[ . 1 . 2 ]" 1
45 1 7 VAL HB 1 75 PRO QB 6.000 . 6.000 5.781 5.281 6.012 0.012 3 0 "[ . 1 . 2 ]" 1
46 1 7 VAL HB 1 77 VAL H 5.000 . 5.000 2.341 2.010 2.763 . 0 0 "[ . 1 . 2 ]" 1
47 1 7 VAL QG 1 39 LEU QB 5.000 . 5.000 4.392 3.930 4.858 . 0 0 "[ . 1 . 2 ]" 1
48 1 7 VAL QG 1 53 ALA MB 5.000 . 5.000 4.665 4.094 4.990 . 0 0 "[ . 1 . 2 ]" 1
49 1 7 VAL QG 1 78 VAL H 5.000 . 5.000 4.814 4.506 5.014 0.014 9 0 "[ . 1 . 2 ]" 1
50 1 7 VAL QG 1 8 ARG H 3.500 . 3.500 3.065 2.704 3.299 . 0 0 "[ . 1 . 2 ]" 1
51 1 7 VAL QG 1 77 VAL HB 6.000 . 6.000 2.964 2.408 3.490 . 0 0 "[ . 1 . 2 ]" 1
52 1 7 VAL QG 1 9 SER HA 6.000 . 6.000 4.310 3.980 4.673 . 0 0 "[ . 1 . 2 ]" 1
53 1 7 VAL QG 1 76 LEU QB . . 3.500 2.810 2.251 3.458 . 0 0 "[ . 1 . 2 ]" 1
54 1 7 VAL H 1 77 VAL H 3.500 . 3.500 3.355 3.077 3.522 0.022 7 0 "[ . 1 . 2 ]" 1
55 1 7 VAL H 1 78 VAL HB 5.000 . 5.000 4.649 4.214 4.941 . 0 0 "[ . 1 . 2 ]" 1
56 1 8 ARG HA 1 8 ARG QD 5.000 . 5.000 3.865 2.670 4.273 . 0 0 "[ . 1 . 2 ]" 1
57 1 8 ARG QB 1 73 ASP HA 5.000 . 5.000 2.457 1.866 4.369 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 ARG QB 1 8 ARG QD 2.800 . 2.800 2.120 1.932 2.431 . 0 0 "[ . 1 . 2 ]" 1
59 1 8 ARG QD 1 73 ASP HA 5.000 . 5.000 3.888 2.090 5.012 0.012 3 0 "[ . 1 . 2 ]" 1
60 1 8 ARG QB 1 8 ARG HE 5.000 . 5.000 3.480 1.922 4.290 . 0 0 "[ . 1 . 2 ]" 1
61 1 8 ARG QG 1 73 ASP HA 5.000 . 5.000 2.725 1.966 3.895 . 0 0 "[ . 1 . 2 ]" 1
62 1 6 ILE MG 1 8 ARG H 5.000 . 5.000 3.771 3.277 4.310 . 0 0 "[ . 1 . 2 ]" 1
63 1 8 ARG H 1 8 ARG QD 5.000 . 5.000 3.205 1.986 4.697 . 0 0 "[ . 1 . 2 ]" 1
64 1 8 ARG H 1 8 ARG QG 5.000 . 5.000 2.664 1.861 4.026 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 SER HA 1 9 SER QB 2.800 . 2.800 2.355 2.157 2.537 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 SER HA 1 10 PRO QD 5.000 . 5.000 1.929 1.832 2.087 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 SER HA 1 76 LEU QD 3.500 . 3.500 2.031 1.787 2.818 0.013 4 0 "[ . 1 . 2 ]" 1
68 1 9 SER QB 1 76 LEU QD 6.000 . 6.000 2.191 1.798 3.044 0.002 18 0 "[ . 1 . 2 ]" 1
69 1 9 SER QB 1 76 LEU HG 5.000 . 5.000 2.582 1.949 3.638 . 0 0 "[ . 1 . 2 ]" 1
70 1 8 ARG QB 1 9 SER H 5.000 . 5.000 2.893 2.234 3.574 . 0 0 "[ . 1 . 2 ]" 1
71 1 8 ARG QG 1 9 SER H 5.000 . 5.000 3.650 2.755 4.363 . 0 0 "[ . 1 . 2 ]" 1
72 1 9 SER H 1 10 PRO QD 5.000 . 5.000 4.093 3.484 4.367 . 0 0 "[ . 1 . 2 ]" 1
73 1 9 SER H 1 73 ASP HA 5.000 . 5.000 3.808 3.128 4.464 . 0 0 "[ . 1 . 2 ]" 1
74 1 9 SER H 1 74 GLU QB 5.000 . 5.000 3.155 2.815 3.825 . 0 0 "[ . 1 . 2 ]" 1
75 1 9 SER H 1 74 GLU H 5.000 . 5.000 2.015 1.865 2.482 . 0 0 "[ . 1 . 2 ]" 1
76 1 9 SER H 1 76 LEU QB 5.000 . 5.000 4.487 3.435 5.018 0.018 10 0 "[ . 1 . 2 ]" 1
77 1 9 SER H 1 76 LEU QD 6.000 . 6.000 3.104 2.523 3.994 . 0 0 "[ . 1 . 2 ]" 1
78 1 9 SER H 1 76 LEU HG 5.000 . 5.000 2.854 2.103 4.718 . 0 0 "[ . 1 . 2 ]" 1
79 1 10 PRO QD 1 51 ILE MD 5.000 . 5.000 4.234 3.584 4.960 . 0 0 "[ . 1 . 2 ]" 1
80 1 10 PRO QG 1 42 VAL QG 5.000 . 5.000 4.044 2.775 5.015 0.015 14 0 "[ . 1 . 2 ]" 1
81 1 11 MET HA 1 11 MET QB 2.800 . 2.800 2.301 2.149 2.536 . 0 0 "[ . 1 . 2 ]" 1
82 1 11 MET HA 1 12 VAL H 5.000 . 5.000 2.454 2.139 2.793 . 0 0 "[ . 1 . 2 ]" 1
83 1 11 MET QB 1 12 VAL H 5.000 . 5.000 2.829 1.874 4.010 . 0 0 "[ . 1 . 2 ]" 1
84 1 11 MET QB 1 44 ALA MB 5.000 . 5.000 4.139 3.126 4.944 . 0 0 "[ . 1 . 2 ]" 1
85 1 11 MET QG 1 12 VAL H 5.000 . 5.000 3.179 1.842 4.765 . 0 0 "[ . 1 . 2 ]" 1
86 1 11 MET QG 1 42 VAL QG 5.000 . 5.000 4.296 2.837 5.016 0.016 1 0 "[ . 1 . 2 ]" 1
87 1 11 MET QG 1 44 ALA MB 5.000 . 5.000 3.836 2.682 4.815 . 0 0 "[ . 1 . 2 ]" 1
88 1 10 PRO QD 1 11 MET H 5.000 . 5.000 2.863 2.412 4.980 . 0 0 "[ . 1 . 2 ]" 1
89 1 10 PRO QG 1 11 MET H 5.000 . 5.000 2.754 1.841 4.628 . 0 0 "[ . 1 . 2 ]" 1
90 1 11 MET H 1 11 MET QG 5.000 . 5.000 3.151 2.041 4.282 . 0 0 "[ . 1 . 2 ]" 1
91 1 11 MET H 1 72 PHE HA 5.000 . 5.000 4.277 2.168 4.973 . 0 0 "[ . 1 . 2 ]" 1
92 1 12 VAL HA 1 13 GLY H 2.800 . 2.800 2.336 2.204 2.663 . 0 0 "[ . 1 . 2 ]" 1
93 1 12 VAL HA 1 72 PHE H 5.000 . 5.000 3.376 1.967 5.026 0.026 14 0 "[ . 1 . 2 ]" 1
94 1 12 VAL HB 1 13 GLY H 5.000 . 5.000 3.775 2.557 4.095 . 0 0 "[ . 1 . 2 ]" 1
95 1 12 VAL HB 1 72 PHE H 5.000 . 5.000 4.798 3.503 5.068 0.068 10 0 "[ . 1 . 2 ]" 1
96 1 12 VAL QG 1 13 GLY QA 6.000 . 6.000 2.846 2.634 3.557 . 0 0 "[ . 1 . 2 ]" 1
97 1 12 VAL QG 1 72 PHE HB3 6.000 . 6.000 3.767 1.755 5.336 0.045 10 0 "[ . 1 . 2 ]" 1
98 1 12 VAL QG 1 72 PHE HB2 6.000 . 6.000 3.065 1.790 4.527 0.010 10 0 "[ . 1 . 2 ]" 1
99 1 12 VAL QG 1 72 PHE H 5.000 . 5.000 2.233 1.867 2.894 . 0 0 "[ . 1 . 2 ]" 1
100 1 13 GLY QA 1 14 THR H 5.000 . 5.000 2.178 2.108 2.544 . 0 0 "[ . 1 . 2 ]" 1
101 1 13 GLY QA 1 42 VAL QG 3.500 . 3.500 2.439 1.808 3.246 . 0 0 "[ . 1 . 2 ]" 1
102 1 13 GLY QA 1 44 ALA MB 5.000 . 5.000 2.347 1.869 2.987 . 0 0 "[ . 1 . 2 ]" 1
103 1 12 VAL QG 1 13 GLY H 5.000 . 5.000 1.839 1.753 2.028 . 0 0 "[ . 1 . 2 ]" 1
104 1 13 GLY H 1 42 VAL QG 5.000 . 5.000 4.082 2.176 4.826 . 0 0 "[ . 1 . 2 ]" 1
105 1 13 GLY H 1 44 ALA MB 5.000 . 5.000 4.385 3.008 4.998 . 0 0 "[ . 1 . 2 ]" 1
106 1 13 GLY H 1 70 VAL QG 5.000 . 5.000 2.455 1.798 3.695 0.002 17 0 "[ . 1 . 2 ]" 1
107 1 13 GLY H 1 70 VAL H 5.000 . 7.400 3.150 2.198 4.347 . 0 0 "[ . 1 . 2 ]" 1
108 1 14 THR HA 1 14 THR MG 3.500 . 3.500 2.265 2.100 2.451 . 0 0 "[ . 1 . 2 ]" 1
109 1 14 THR HA 1 15 PHE HA 5.000 . 5.000 4.415 4.353 4.477 . 0 0 "[ . 1 . 2 ]" 1
110 1 14 THR HA 1 15 PHE H 2.800 . 2.800 2.163 2.141 2.219 . 0 0 "[ . 1 . 2 ]" 1
111 1 14 THR HA 1 69 PRO HA 5.000 . 5.000 2.276 1.859 4.243 . 0 0 "[ . 1 . 2 ]" 1
112 1 14 THR HB 1 16 TYR QE 3.500 . 3.500 3.173 2.293 3.526 0.026 2 0 "[ . 1 . 2 ]" 1
113 1 14 THR HB 1 43 GLU QB 5.000 . 5.000 2.296 1.862 2.738 . 0 0 "[ . 1 . 2 ]" 1
114 1 14 THR MG 1 67 GLY HA3 5.000 . 5.000 4.737 2.337 5.047 0.047 10 0 "[ . 1 . 2 ]" 1
115 1 14 THR MG 1 67 GLY HA2 5.000 . 5.000 3.572 2.120 3.974 . 0 0 "[ . 1 . 2 ]" 1
116 1 14 THR H 1 44 ALA MB 5.000 . 5.000 3.823 3.128 4.620 . 0 0 "[ . 1 . 2 ]" 1
117 1 14 THR H 1 42 VAL QG 5.000 . 5.000 2.623 1.783 4.190 0.017 10 0 "[ . 1 . 2 ]" 1
118 1 14 THR H 1 43 GLU QB 5.000 . 5.000 3.526 2.428 4.626 . 0 0 "[ . 1 . 2 ]" 1
119 1 14 THR H 1 43 GLU H 5.000 . 5.000 4.872 4.508 5.031 0.031 14 0 "[ . 1 . 2 ]" 1
120 1 14 THR MG 1 15 PHE HA 5.000 . 5.000 4.579 4.193 4.831 . 0 0 "[ . 1 . 2 ]" 1
121 1 15 PHE HA 1 16 TYR H 2.800 . 2.800 2.447 2.329 2.523 . 0 0 "[ . 1 . 2 ]" 1
122 1 15 PHE HA 1 64 VAL QG 5.000 . 5.000 3.937 3.642 4.284 . 0 0 "[ . 1 . 2 ]" 1
123 1 15 PHE HB3 1 64 VAL QG 3.500 . 3.500 2.042 1.732 3.148 0.068 13 0 "[ . 1 . 2 ]" 1
124 1 15 PHE HB3 1 70 VAL QG 3.500 2.500 3.500 3.074 2.521 3.517 0.017 10 0 "[ . 1 . 2 ]" 1
125 1 15 PHE HB2 1 64 VAL QG 5.000 . 5.000 1.989 1.785 2.586 0.015 21 0 "[ . 1 . 2 ]" 1
126 1 15 PHE HB2 1 70 VAL QG 3.500 . 3.500 2.110 1.779 2.900 0.021 14 0 "[ . 1 . 2 ]" 1
127 1 15 PHE QD 1 16 TYR H 5.000 . 5.000 2.757 2.314 3.228 . 0 0 "[ . 1 . 2 ]" 1
128 1 15 PHE QD 1 17 ARG QG 5.000 . 5.000 3.938 3.271 4.737 . 0 0 "[ . 1 . 2 ]" 1
129 1 15 PHE QD 1 40 CYS QB 5.000 . 5.000 3.892 3.291 4.476 . 0 0 "[ . 1 . 2 ]" 1
130 1 15 PHE QD 1 64 VAL HB 5.000 . 5.000 3.149 2.182 3.671 . 0 0 "[ . 1 . 2 ]" 1
131 1 15 PHE QD 1 64 VAL QG 5.000 . 5.000 2.460 1.898 3.069 . 0 0 "[ . 1 . 2 ]" 1
132 1 15 PHE QD 1 66 SER HA 5.000 . 5.000 2.168 1.861 3.739 . 0 0 "[ . 1 . 2 ]" 1
133 1 15 PHE QD 1 66 SER QB 5.000 . 5.000 2.934 1.816 4.755 . 0 0 "[ . 1 . 2 ]" 1
134 1 15 PHE QD 1 67 GLY H 5.000 . 5.000 3.932 2.661 4.784 . 0 0 "[ . 1 . 2 ]" 1
135 1 15 PHE QD 1 76 LEU QD 5.000 . 5.000 2.036 1.744 2.599 . 0 0 "[ . 1 . 2 ]" 1
136 1 15 PHE QD 1 77 VAL QG 5.000 . 5.000 4.351 3.972 4.855 . 0 0 "[ . 1 . 2 ]" 1
137 1 15 PHE QE 1 17 ARG QB 5.000 . 5.000 4.697 3.808 5.011 0.011 13 0 "[ . 1 . 2 ]" 1
138 1 15 PHE QE 1 17 ARG QD 5.000 . 5.000 2.923 2.079 3.631 . 0 0 "[ . 1 . 2 ]" 1
139 1 15 PHE QE 1 17 ARG QG 5.000 . 5.000 3.067 1.823 3.787 . 0 0 "[ . 1 . 2 ]" 1
140 1 15 PHE QE 1 40 CYS QB 6.000 . 6.000 2.950 1.925 3.774 . 0 0 "[ . 1 . 2 ]" 1
141 1 15 PHE QE 1 62 ILE MD 5.000 . 5.000 1.941 1.705 2.448 . 0 0 "[ . 1 . 2 ]" 1
142 1 15 PHE QE 1 62 ILE MG 5.000 . 5.000 2.161 1.817 2.701 . 0 0 "[ . 1 . 2 ]" 1
143 1 15 PHE QE 1 64 VAL HB 5.000 . 5.000 3.768 3.145 4.179 . 0 0 "[ . 1 . 2 ]" 1
144 1 15 PHE QE 1 64 VAL QG 5.000 . 5.000 3.711 3.383 3.894 . 0 0 "[ . 1 . 2 ]" 1
145 1 15 PHE QE 1 66 SER HA 5.000 . 5.000 3.985 3.006 4.792 . 0 0 "[ . 1 . 2 ]" 1
146 1 15 PHE QE 1 76 LEU QB 5.000 . 5.000 2.574 1.857 4.394 . 0 0 "[ . 1 . 2 ]" 1
147 1 15 PHE QE 1 76 LEU QD 5.000 . 5.000 2.804 2.018 3.539 . 0 0 "[ . 1 . 2 ]" 1
148 1 15 PHE QE 1 77 VAL QG 5.000 . 5.000 2.794 2.034 3.275 . 0 0 "[ . 1 . 2 ]" 1
149 1 14 THR MG 1 15 PHE H 5.000 . 5.000 3.061 2.351 3.517 . 0 0 "[ . 1 . 2 ]" 1
150 1 15 PHE H 1 15 PHE HB3 3.500 . 3.500 2.587 2.277 3.058 . 0 0 "[ . 1 . 2 ]" 1
151 1 15 PHE H 1 15 PHE HB2 2.800 . 2.800 2.543 2.140 2.818 0.018 3 0 "[ . 1 . 2 ]" 1
152 1 15 PHE H 1 15 PHE QD 5.000 . 5.000 4.146 3.758 4.219 . 0 0 "[ . 1 . 2 ]" 1
153 1 15 PHE H 1 69 PRO HA 5.000 . 5.000 3.727 2.885 4.885 . 0 0 "[ . 1 . 2 ]" 1
154 1 15 PHE H 1 70 VAL QG 5.000 . 5.000 2.157 1.748 2.987 . 0 0 "[ . 1 . 2 ]" 1
155 1 15 PHE HZ 1 17 ARG QD 5.000 . 5.000 4.265 1.984 4.990 . 0 0 "[ . 1 . 2 ]" 1
156 1 15 PHE HZ 1 17 ARG QG 5.000 . 5.000 4.207 2.323 5.010 0.010 7 0 "[ . 1 . 2 ]" 1
157 1 15 PHE HZ 1 40 CYS QB 5.000 . 5.000 3.765 2.860 4.979 . 0 0 "[ . 1 . 2 ]" 1
158 1 15 PHE HZ 1 62 ILE MG 5.000 . 5.000 3.163 1.920 3.721 . 0 0 "[ . 1 . 2 ]" 1
159 1 15 PHE HZ 1 64 VAL HB 5.000 . 5.000 4.866 4.288 5.032 0.032 16 0 "[ . 1 . 2 ]" 1
160 1 15 PHE HZ 1 64 VAL QG 5.000 . 5.000 4.679 4.164 5.106 0.106 23 0 "[ . 1 . 2 ]" 1
161 1 15 PHE HZ 1 77 VAL QG 5.000 . 5.000 2.408 1.786 3.895 . 0 0 "[ . 1 . 2 ]" 1
162 1 16 TYR HA 1 16 TYR HB3 2.800 . 2.800 2.626 2.422 2.762 . 0 0 "[ . 1 . 2 ]" 1
163 1 16 TYR HA 1 16 TYR HB2 2.800 . 2.800 2.974 2.917 3.013 0.213 8 0 "[ . 1 . 2 ]" 1
164 1 16 TYR QB 1 18 THR H 4.000 . 4.000 2.652 2.286 3.403 . 0 0 "[ . 1 . 2 ]" 1
165 1 16 TYR QB 1 41 ILE HB 4.000 . 4.000 3.506 3.080 3.997 . 0 0 "[ . 1 . 2 ]" 1
166 1 14 THR MG 1 16 TYR QD 5.000 . 5.000 3.732 3.171 4.311 . 0 0 "[ . 1 . 2 ]" 1
167 1 16 TYR QD 1 41 ILE HB 5.000 . 5.000 3.861 2.709 4.581 . 0 0 "[ . 1 . 2 ]" 1
168 1 16 TYR QD 1 41 ILE MG 5.000 . 5.000 3.483 2.781 4.022 . 0 0 "[ . 1 . 2 ]" 1
169 1 16 TYR QD 1 43 GLU QB 5.000 . 5.000 3.017 2.169 4.089 . 0 0 "[ . 1 . 2 ]" 1
170 1 16 TYR QD 1 43 GLU QG 5.000 . 5.000 4.431 3.361 4.957 . 0 0 "[ . 1 . 2 ]" 1
171 1 14 THR MG 1 16 TYR QE 5.000 . 5.000 2.713 2.127 3.524 . 0 0 "[ . 1 . 2 ]" 1
172 1 16 TYR QE 1 41 ILE MG 5.000 . 5.000 4.559 3.086 5.022 0.022 21 0 "[ . 1 . 2 ]" 1
173 1 16 TYR QE 1 43 GLU QB 5.000 . 5.000 2.908 1.802 4.420 . 0 0 "[ . 1 . 2 ]" 1
174 1 16 TYR QE 1 43 GLU QG 5.000 . 5.000 3.450 1.921 4.465 . 0 0 "[ . 1 . 2 ]" 1
175 1 16 TYR QE 1 67 GLY QA 5.000 . 5.000 2.632 1.874 3.924 . 0 0 "[ . 1 . 2 ]" 1
176 1 15 PHE QB 1 16 TYR H 5.000 . 5.000 3.177 2.995 3.381 . 0 0 "[ . 1 . 2 ]" 1
177 1 16 TYR H 1 16 TYR QD 5.000 . 5.000 4.105 3.408 4.262 . 0 0 "[ . 1 . 2 ]" 1
178 1 16 TYR H 1 41 ILE H 5.000 . 5.000 4.839 4.238 5.033 0.033 9 0 "[ . 1 . 2 ]" 1
179 1 16 TYR H 1 62 ILE MD 5.000 . 5.000 5.033 4.969 5.088 0.088 23 0 "[ . 1 . 2 ]" 1
180 1 17 ARG HA 1 17 ARG QD 5.000 . 5.000 3.558 2.052 4.262 . 0 0 "[ . 1 . 2 ]" 1
181 1 17 ARG QB 1 18 THR MG 2.800 . 2.800 2.813 2.385 2.949 0.149 1 0 "[ . 1 . 2 ]" 1
182 1 17 ARG HB3 1 25 ALA MB 5.000 . 5.000 4.163 2.972 5.045 0.045 7 0 "[ . 1 . 2 ]" 1
183 1 17 ARG HB2 1 25 ALA MB 5.000 . 5.000 4.668 3.003 5.078 0.078 14 0 "[ . 1 . 2 ]" 1
184 1 17 ARG QD 1 62 ILE MG 3.500 . 3.500 3.397 2.796 3.550 0.050 16 0 "[ . 1 . 2 ]" 1
185 1 17 ARG QG 1 66 SER QB 5.000 . 5.000 2.458 1.738 5.003 0.062 1 0 "[ . 1 . 2 ]" 1
186 1 17 ARG H 1 17 ARG QG 5.000 . 5.000 2.929 2.358 3.818 . 0 0 "[ . 1 . 2 ]" 1
187 1 17 ARG H 1 18 THR H 3.500 . 3.500 1.907 1.857 2.471 . 0 0 "[ . 1 . 2 ]" 1
188 1 18 THR HA 1 19 PRO HD3 3.500 . 3.500 2.292 1.841 2.808 . 0 0 "[ . 1 . 2 ]" 1
189 1 18 THR HA 1 19 PRO HD2 3.500 . 3.500 2.262 1.835 2.816 . 0 0 "[ . 1 . 2 ]" 1
190 1 18 THR HA 1 25 ALA HA 4.000 . 4.000 2.568 1.865 3.912 . 0 0 "[ . 1 . 2 ]" 1
191 1 18 THR HB 1 19 PRO QD 5.000 . 5.000 3.535 2.557 4.287 . 0 0 "[ . 1 . 2 ]" 1
192 1 18 THR HB 1 23 ALA MB 5.000 . 5.000 2.969 1.765 4.452 . 0 0 "[ . 1 . 2 ]" 1
193 1 18 THR MG 1 25 ALA HA 4.000 . 4.000 2.039 1.786 2.640 0.014 6 0 "[ . 1 . 2 ]" 1
194 1 18 THR MG 1 25 ALA MB 3.500 . 3.500 2.450 1.793 3.524 0.024 8 0 "[ . 1 . 2 ]" 1
195 1 18 THR MG 1 25 ALA H 3.500 . 3.500 2.696 1.885 3.572 0.072 12 0 "[ . 1 . 2 ]" 1
196 1 17 ARG HA 1 18 THR H 5.000 . 5.000 3.327 2.844 3.544 . 0 0 "[ . 1 . 2 ]" 1
197 1 17 ARG QB 1 18 THR H 5.000 . 5.000 3.209 2.466 3.858 . 0 0 "[ . 1 . 2 ]" 1
198 1 19 PRO HA 1 20 SER H 2.800 . 2.800 2.623 2.149 3.039 0.239 1 0 "[ . 1 . 2 ]" 1
199 1 19 PRO HA 1 41 ILE MD 5.000 . 5.000 3.112 2.247 4.740 . 0 0 "[ . 1 . 2 ]" 1
200 1 19 PRO QB 1 23 ALA MB 5.000 . 5.000 3.440 1.869 4.611 . 0 0 "[ . 1 . 2 ]" 1
201 1 19 PRO HB3 1 20 SER H 5.000 . 5.000 3.685 2.305 4.673 . 0 0 "[ . 1 . 2 ]" 1
202 1 19 PRO HB2 1 20 SER H 5.000 . 5.000 3.299 1.806 4.361 . 0 0 "[ . 1 . 2 ]" 1
203 1 19 PRO QD 1 23 ALA MB 4.000 . 4.000 2.522 1.779 3.681 0.021 9 0 "[ . 1 . 2 ]" 1
204 1 18 THR MG 1 19 PRO HD3 5.000 . 5.000 4.249 3.767 4.627 . 0 0 "[ . 1 . 2 ]" 1
205 1 19 PRO HD3 1 25 ALA HA 5.000 . 5.000 4.073 2.861 5.090 0.090 8 0 "[ . 1 . 2 ]" 1
206 1 18 THR MG 1 19 PRO HD2 5.000 . 5.000 3.810 3.503 4.528 . 0 0 "[ . 1 . 2 ]" 1
207 1 19 PRO HD2 1 25 ALA HA 5.000 . 5.000 3.615 2.668 4.720 . 0 0 "[ . 1 . 2 ]" 1
208 1 19 PRO QG 1 20 SER H 5.000 . 5.000 4.268 3.624 4.849 . 0 0 "[ . 1 . 2 ]" 1
209 1 19 PRO QG 1 23 ALA MB 6.000 . 6.000 3.087 1.797 5.070 0.003 5 0 "[ . 1 . 2 ]" 1
210 1 20 SER HA 1 21 PRO HD3 5.000 . 5.000 2.808 1.856 4.229 . 0 0 "[ . 1 . 2 ]" 1
211 1 20 SER HA 1 21 PRO HD2 5.000 . 5.000 2.870 1.897 4.078 . 0 0 "[ . 1 . 2 ]" 1
212 1 20 SER QB 1 21 PRO QD 3.500 . 3.500 2.545 1.769 3.487 0.031 7 0 "[ . 1 . 2 ]" 1
213 1 19 PRO QD 1 20 SER H 5.000 . 5.000 4.396 3.819 4.921 . 0 0 "[ . 1 . 2 ]" 1
214 1 20 SER H 1 23 ALA MB 3.500 . 3.500 3.383 2.752 3.599 0.099 8 0 "[ . 1 . 2 ]" 1
215 1 20 SER H 1 41 ILE MD 5.000 . 5.000 4.591 3.513 5.074 0.074 6 0 "[ . 1 . 2 ]" 1
216 1 21 PRO HA 1 22 ASP H 3.500 . 3.500 2.999 2.308 3.556 0.056 8 0 "[ . 1 . 2 ]" 1
217 1 22 ASP HA 1 22 ASP QB 2.800 . 2.800 2.389 2.172 2.539 . 0 0 "[ . 1 . 2 ]" 1
218 1 21 PRO QB 1 22 ASP H 5.000 . 5.000 3.314 1.834 3.985 . 0 0 "[ . 1 . 2 ]" 1
219 1 21 PRO HD3 1 22 ASP H 5.000 . 5.000 4.555 3.994 5.054 0.054 7 0 "[ . 1 . 2 ]" 1
220 1 21 PRO HD2 1 22 ASP H 5.000 . 5.000 4.003 2.926 5.218 0.218 18 0 "[ . 1 . 2 ]" 1
221 1 22 ASP H 1 22 ASP QB 3.500 . 3.500 2.949 2.226 3.506 0.006 18 0 "[ . 1 . 2 ]" 1
222 1 22 ASP H 1 23 ALA MB 5.000 . 5.000 3.856 3.167 4.426 . 0 0 "[ . 1 . 2 ]" 1
223 1 22 ASP H 1 23 ALA H 3.500 . 3.500 2.626 1.831 3.239 . 0 0 "[ . 1 . 2 ]" 1
224 1 23 ALA HA 1 24 LYS H 5.000 . 5.000 2.792 2.132 3.570 . 0 0 "[ . 1 . 2 ]" 1
225 1 23 ALA MB 1 24 LYS H 3.500 . 3.500 2.251 1.797 3.543 0.043 16 0 "[ . 1 . 2 ]" 1
226 1 21 PRO HA 1 23 ALA H 5.000 . 5.000 4.397 3.750 4.880 . 0 0 "[ . 1 . 2 ]" 1
227 1 22 ASP QB 1 23 ALA H 5.000 . 5.000 3.877 3.069 4.032 . 0 0 "[ . 1 . 2 ]" 1
228 1 23 ALA H 1 23 ALA MB 2.800 . 2.800 2.268 2.056 2.425 . 0 0 "[ . 1 . 2 ]" 1
229 1 23 ALA H 1 24 LYS H 5.000 . 5.000 4.142 2.842 4.637 . 0 0 "[ . 1 . 2 ]" 1
230 1 24 LYS HA 1 24 LYS QD 5.000 . 5.000 3.580 1.874 4.389 . 0 0 "[ . 1 . 2 ]" 1
231 1 24 LYS HA 1 25 ALA H 3.500 2.500 3.500 3.035 2.794 3.556 0.056 12 0 "[ . 1 . 2 ]" 1
232 1 24 LYS HB3 1 25 ALA H 5.000 . 5.000 4.091 2.069 4.629 . 0 0 "[ . 1 . 2 ]" 1
233 1 24 LYS HB2 1 25 ALA H 5.000 . 5.000 4.084 2.146 4.504 . 0 0 "[ . 1 . 2 ]" 1
234 1 19 PRO QD 1 24 LYS H 5.000 . 5.000 3.735 2.049 5.047 0.047 21 0 "[ . 1 . 2 ]" 1
235 1 24 LYS H 1 24 LYS QG 5.000 . 5.000 3.196 1.918 4.177 . 0 0 "[ . 1 . 2 ]" 1
236 1 24 LYS H 1 25 ALA HA 5.000 . 5.000 4.588 3.957 5.012 0.012 19 0 "[ . 1 . 2 ]" 1
237 1 24 LYS H 1 25 ALA H 5.000 . 5.000 2.577 1.983 3.066 . 0 0 "[ . 1 . 2 ]" 1
238 1 25 ALA HA 1 26 PHE H 2.800 . 2.800 2.181 2.142 2.288 . 0 0 "[ . 1 . 2 ]" 1
239 1 24 LYS HA 1 25 ALA MB 6.000 . 6.000 3.775 3.646 4.087 . 0 0 "[ . 1 . 2 ]" 1
240 1 25 ALA MB 1 26 PHE QD 6.000 . 6.000 5.548 4.774 5.774 . 0 0 "[ . 1 . 2 ]" 1
241 1 19 PRO QD 1 25 ALA H 5.000 . 5.000 3.343 2.411 5.056 0.056 21 0 "[ . 1 . 2 ]" 1
242 1 23 ALA MB 1 25 ALA H 5.000 . 5.000 2.666 2.140 3.857 . 0 0 "[ . 1 . 2 ]" 1
243 1 24 LYS QG 1 25 ALA H 5.000 . 5.000 4.207 1.878 4.862 . 0 0 "[ . 1 . 2 ]" 1
244 1 25 ALA H 1 25 ALA MB 2.800 . 2.800 2.841 2.804 2.969 0.169 21 0 "[ . 1 . 2 ]" 1
245 1 25 ALA H 1 26 PHE H 5.000 . 5.000 3.783 3.183 4.188 . 0 0 "[ . 1 . 2 ]" 1
246 1 26 PHE HA 1 26 PHE QD 3.500 . 3.500 2.208 1.870 2.814 . 0 0 "[ . 1 . 2 ]" 1
247 1 26 PHE QB 1 26 PHE QD 2.800 . 2.800 2.166 2.126 2.220 . 0 0 "[ . 1 . 2 ]" 1
248 1 26 PHE QB 1 27 ILE QG 5.000 . 5.000 3.354 2.277 4.149 . 0 0 "[ . 1 . 2 ]" 1
249 1 19 PRO HA 1 26 PHE QD 5.000 . 5.000 4.693 3.894 5.135 0.135 21 0 "[ . 1 . 2 ]" 1
250 1 19 PRO QB 1 26 PHE QD 5.000 . 5.000 3.956 2.632 4.961 . 0 0 "[ . 1 . 2 ]" 1
251 1 26 PHE H 1 26 PHE QD 5.000 . 5.000 3.428 2.521 3.838 . 0 0 "[ . 1 . 2 ]" 1
252 1 26 PHE QD 1 38 THR HB 5.000 . 5.000 3.019 1.865 3.736 . 0 0 "[ . 1 . 2 ]" 1
253 1 26 PHE QD 1 38 THR MG 5.000 . 5.000 3.523 2.235 4.328 . 0 0 "[ . 1 . 2 ]" 1
254 1 26 PHE QD 1 40 CYS HA 5.000 . 5.000 2.659 1.868 3.090 . 0 0 "[ . 1 . 2 ]" 1
255 1 26 PHE QD 1 40 CYS QB 5.000 . 5.000 3.554 2.759 4.200 . 0 0 "[ . 1 . 2 ]" 1
256 1 26 PHE QD 1 41 ILE MD 5.000 . 5.000 3.653 2.751 4.130 . 0 0 "[ . 1 . 2 ]" 1
257 1 26 PHE QD 1 41 ILE QG 5.000 . 5.000 4.447 3.449 5.009 0.009 19 0 "[ . 1 . 2 ]" 1
258 1 19 PRO HA 1 26 PHE QE 5.000 . 5.000 4.181 2.335 5.006 0.006 15 0 "[ . 1 . 2 ]" 1
259 1 19 PRO QB 1 26 PHE QE 5.000 . 5.000 2.844 1.867 4.155 . 0 0 "[ . 1 . 2 ]" 1
260 1 26 PHE QE 1 38 THR HB 5.000 . 5.000 2.582 1.869 3.943 . 0 0 "[ . 1 . 2 ]" 1
261 1 26 PHE QE 1 38 THR MG 5.000 . 5.000 2.116 1.805 2.571 . 0 0 "[ . 1 . 2 ]" 1
262 1 26 PHE QE 1 40 CYS HA 5.000 . 5.000 3.140 2.745 4.061 . 0 0 "[ . 1 . 2 ]" 1
263 1 26 PHE QE 1 41 ILE MD 5.000 . 5.000 1.933 1.773 2.595 0.027 7 0 "[ . 1 . 2 ]" 1
264 1 26 PHE QE 1 41 ILE QG 5.000 . 5.000 2.691 1.932 3.513 . 0 0 "[ . 1 . 2 ]" 1
265 1 26 PHE QE 1 41 ILE MG 5.000 . 5.000 4.466 4.098 4.761 . 0 0 "[ . 1 . 2 ]" 1
266 1 18 THR MG 1 26 PHE H 5.000 . 5.000 3.386 2.884 3.948 . 0 0 "[ . 1 . 2 ]" 1
267 1 23 ALA MB 1 26 PHE H 5.000 . 5.000 4.674 4.048 5.095 0.095 8 0 "[ . 1 . 2 ]" 1
268 1 25 ALA MB 1 26 PHE H 5.000 . 5.000 3.285 2.877 3.626 . 0 0 "[ . 1 . 2 ]" 1
269 1 26 PHE H 1 26 PHE QB 3.500 . 3.500 2.126 2.036 2.290 . 0 0 "[ . 1 . 2 ]" 1
270 1 27 ILE HA 1 28 GLU H 2.800 . 2.800 2.288 2.141 2.485 . 0 0 "[ . 1 . 2 ]" 1
271 1 27 ILE HB 1 53 ALA MB 5.000 . 5.000 4.888 4.516 5.053 0.053 13 0 "[ . 1 . 2 ]" 1
272 1 27 ILE HB 1 59 VAL QG 5.000 . 5.000 3.300 2.670 4.107 . 0 0 "[ . 1 . 2 ]" 1
273 1 27 ILE QG 1 28 GLU H 5.000 . 5.000 3.337 2.825 3.706 . 0 0 "[ . 1 . 2 ]" 1
274 1 27 ILE QG 1 32 LYS QD 6.000 . 6.000 4.582 1.755 6.014 0.045 4 0 "[ . 1 . 2 ]" 1
275 1 27 ILE QG 1 32 LYS QG 5.000 . 5.000 4.482 1.783 5.027 0.027 6 0 "[ . 1 . 2 ]" 1
276 1 27 ILE QG 1 39 LEU HA 3.500 . 3.500 2.147 1.783 3.327 0.017 22 0 "[ . 1 . 2 ]" 1
277 1 27 ILE QG 1 39 LEU QB 5.000 . 5.000 3.787 3.483 4.647 . 0 0 "[ . 1 . 2 ]" 1
278 1 26 PHE QB 1 27 ILE H 5.000 . 5.000 1.866 1.808 2.021 . 0 0 "[ . 1 . 2 ]" 1
279 1 27 ILE H 1 27 ILE MD 5.000 . 5.000 2.619 1.946 3.782 . 0 0 "[ . 1 . 2 ]" 1
280 1 27 ILE H 1 28 GLU H 5.000 . 5.000 4.020 3.216 4.417 . 0 0 "[ . 1 . 2 ]" 1
281 1 28 GLU HA 1 28 GLU HB2 2.800 . 2.800 2.898 2.868 3.010 0.210 8 0 "[ . 1 . 2 ]" 1
282 1 28 GLU HA 1 29 VAL H 2.800 . 2.800 2.569 2.293 2.801 0.001 12 0 "[ . 1 . 2 ]" 1
283 1 28 GLU HA 1 62 ILE MD 5.000 . 5.000 3.366 2.350 4.763 . 0 0 "[ . 1 . 2 ]" 1
284 1 28 GLU QB 1 29 VAL H 5.000 . 5.000 2.313 1.864 2.953 . 0 0 "[ . 1 . 2 ]" 1
285 1 25 ALA MB 1 28 GLU H 5.000 . 5.000 4.253 3.258 4.907 . 0 0 "[ . 1 . 2 ]" 1
286 1 27 ILE MD 1 28 GLU H 5.000 . 5.000 4.108 3.772 5.054 0.054 21 0 "[ . 1 . 2 ]" 1
287 1 28 GLU H 1 28 GLU QG 5.000 . 5.000 2.923 1.804 3.833 . 0 0 "[ . 1 . 2 ]" 1
288 1 28 GLU H 1 31 GLN QB 5.000 . 5.000 3.026 2.123 4.262 . 0 0 "[ . 1 . 2 ]" 1
289 1 29 VAL HA 1 30 GLY H 5.000 . 5.000 2.257 2.149 2.347 . 0 0 "[ . 1 . 2 ]" 1
290 1 29 VAL HA 1 59 VAL HB 5.000 . 5.000 2.768 2.170 3.260 . 0 0 "[ . 1 . 2 ]" 1
291 1 29 VAL HA 1 59 VAL QG 2.800 . 2.800 2.076 1.782 2.495 0.018 13 0 "[ . 1 . 2 ]" 1
292 1 29 VAL HB 1 30 GLY H 5.000 . 5.000 3.765 3.458 4.027 . 0 0 "[ . 1 . 2 ]" 1
293 1 29 VAL HB 1 59 VAL QG 5.000 . 5.000 4.351 3.771 4.823 . 0 0 "[ . 1 . 2 ]" 1
294 1 29 VAL QG 1 30 GLY H 5.000 . 5.000 2.144 1.824 2.718 . 0 0 "[ . 1 . 2 ]" 1
295 1 29 VAL QG 1 59 VAL HA 5.000 . 5.000 4.827 4.265 5.025 0.025 9 0 "[ . 1 . 2 ]" 1
296 1 29 VAL QG 1 59 VAL HB 5.000 . 5.000 3.753 3.171 4.039 . 0 0 "[ . 1 . 2 ]" 1
297 1 29 VAL QG 1 60 LYS HA 5.000 . 5.000 3.476 3.036 4.016 . 0 0 "[ . 1 . 2 ]" 1
298 1 29 VAL QG 1 61 ALA HA 5.000 . 5.000 1.797 1.759 1.869 0.041 13 0 "[ . 1 . 2 ]" 1
299 1 29 VAL QG 1 62 ILE H 5.000 . 5.000 2.418 1.816 3.441 . 0 0 "[ . 1 . 2 ]" 1
300 1 28 GLU QG 1 29 VAL H 5.000 . 5.000 3.346 2.587 4.141 . 0 0 "[ . 1 . 2 ]" 1
301 1 28 GLU H 1 29 VAL H 5.000 . 5.000 4.504 4.327 4.647 . 0 0 "[ . 1 . 2 ]" 1
302 1 29 VAL H 1 62 ILE MD 5.000 . 5.000 4.190 3.546 4.675 . 0 0 "[ . 1 . 2 ]" 1
303 1 30 GLY QA 1 31 GLN H 6.000 . 6.000 2.836 2.564 2.920 . 0 0 "[ . 1 . 2 ]" 1
304 1 30 GLY QA 1 58 THR MG 5.000 . 5.000 3.497 2.482 5.025 0.025 13 0 "[ . 1 . 2 ]" 1
305 1 30 GLY QA 1 60 LYS HA 5.000 . 5.000 4.793 4.120 5.028 0.028 2 0 "[ . 1 . 2 ]" 1
306 1 30 GLY H 1 31 GLN H 3.500 . 3.500 2.833 2.527 3.497 . 0 0 "[ . 1 . 2 ]" 1
307 1 30 GLY H 1 59 VAL HB 5.000 . 5.000 3.096 2.296 3.557 . 0 0 "[ . 1 . 2 ]" 1
308 1 30 GLY H 1 59 VAL MG1 5.000 . 5.000 3.202 2.460 3.907 . 0 0 "[ . 1 . 2 ]" 1
309 1 30 GLY H 1 59 VAL MG2 5.000 . 5.000 4.623 3.954 5.011 0.011 5 0 "[ . 1 . 2 ]" 1
310 1 31 GLN HA 1 31 GLN QB 2.800 . 2.800 2.356 2.263 2.516 . 0 0 "[ . 1 . 2 ]" 1
311 1 31 GLN HA 1 31 GLN QG 3.500 2.500 3.500 2.530 2.374 2.981 0.126 4 0 "[ . 1 . 2 ]" 1
312 1 31 GLN HA 1 32 LYS H 3.500 2.500 3.500 2.445 2.298 3.294 0.202 12 0 "[ . 1 . 2 ]" 1
313 1 31 GLN QE 1 33 VAL QG 5.000 . 5.000 3.609 2.477 4.601 . 0 0 "[ . 1 . 2 ]" 1
314 1 27 ILE HA 1 31 GLN HE21 5.000 . 5.000 3.329 2.518 4.427 . 0 0 "[ . 1 . 2 ]" 1
315 1 27 ILE MG 1 31 GLN HE21 5.000 . 5.000 3.307 1.886 4.030 . 0 0 "[ . 1 . 2 ]" 1
316 1 27 ILE HA 1 31 GLN HE22 5.000 . 5.000 3.510 2.411 5.026 0.026 20 0 "[ . 1 . 2 ]" 1
317 1 27 ILE MG 1 31 GLN HE22 5.000 . 5.000 4.080 2.896 5.003 0.003 1 0 "[ . 1 . 2 ]" 1
318 1 29 VAL HA 1 31 GLN H 5.000 . 5.000 3.390 3.138 4.129 . 0 0 "[ . 1 . 2 ]" 1
319 1 31 GLN H 1 59 VAL HB 5.000 . 5.000 3.100 2.298 4.105 . 0 0 "[ . 1 . 2 ]" 1
320 1 31 GLN H 1 59 VAL QG 5.000 . 5.000 3.643 2.867 4.339 . 0 0 "[ . 1 . 2 ]" 1
321 1 31 GLN H 1 59 VAL H 5.000 . 5.000 4.278 3.293 5.012 0.012 19 0 "[ . 1 . 2 ]" 1
322 1 32 LYS HA 1 32 LYS QD 3.500 . 3.500 3.010 1.806 3.533 0.033 20 0 "[ . 1 . 2 ]" 1
323 1 32 LYS HA 1 32 LYS QG 3.500 2.500 3.500 2.939 2.434 3.472 0.066 7 0 "[ . 1 . 2 ]" 1
324 1 32 LYS HA 1 33 VAL H 2.800 . 2.800 2.377 2.143 2.858 0.058 4 0 "[ . 1 . 2 ]" 1
325 1 32 LYS QD 1 58 THR MG 5.000 . 5.000 4.179 1.747 5.045 0.045 13 0 "[ . 1 . 2 ]" 1
326 1 31 GLN QB 1 32 LYS H 5.000 . 5.000 3.262 1.865 4.037 . 0 0 "[ . 1 . 2 ]" 1
327 1 31 GLN QE 1 32 LYS H 5.000 . 5.000 3.712 2.022 5.010 0.010 5 0 "[ . 1 . 2 ]" 1
328 1 31 GLN QG 1 32 LYS H 5.000 . 5.000 2.108 1.761 3.600 . 0 0 "[ . 1 . 2 ]" 1
329 1 31 GLN H 1 32 LYS H 5.000 . 5.000 4.515 3.748 4.665 . 0 0 "[ . 1 . 2 ]" 1
330 1 32 LYS H 1 32 LYS QD 5.000 . 5.000 3.493 1.805 5.006 0.006 11 0 "[ . 1 . 2 ]" 1
331 1 32 LYS H 1 32 LYS QG 5.000 . 5.000 3.208 1.859 4.584 . 0 0 "[ . 1 . 2 ]" 1
332 1 32 LYS H 1 33 VAL QG 5.000 . 5.000 4.027 3.289 4.828 . 0 0 "[ . 1 . 2 ]" 1
333 1 33 VAL HA 1 33 VAL QG 2.800 . 2.800 2.083 1.918 2.310 . 0 0 "[ . 1 . 2 ]" 1
334 1 33 VAL HB 1 34 ASN H 5.000 . 5.000 2.875 1.807 4.183 . 0 0 "[ . 1 . 2 ]" 1
335 1 33 VAL HB 1 37 ASP HB3 5.000 . 5.000 4.214 2.869 5.005 0.005 22 0 "[ . 1 . 2 ]" 1
336 1 33 VAL HB 1 37 ASP HB2 5.000 . 5.000 3.931 2.278 4.802 . 0 0 "[ . 1 . 2 ]" 1
337 1 33 VAL HB 1 53 ALA MB 6.000 . 6.000 3.199 1.811 5.766 . 0 0 "[ . 1 . 2 ]" 1
338 1 33 VAL QG 1 37 ASP HB3 5.000 . 5.000 2.805 1.783 4.792 0.017 12 0 "[ . 1 . 2 ]" 1
339 1 33 VAL QG 1 37 ASP HB2 5.000 . 5.000 3.038 1.771 4.824 0.029 19 0 "[ . 1 . 2 ]" 1
340 1 33 VAL QG 1 53 ALA MB 6.000 . 6.000 2.638 1.796 5.440 0.004 5 0 "[ . 1 . 2 ]" 1
341 1 33 VAL QG 1 57 GLY H 6.000 2.800 6.000 3.663 2.823 4.903 . 0 0 "[ . 1 . 2 ]" 1
342 1 32 LYS QB 1 33 VAL H 5.000 . 5.000 2.862 1.865 3.661 . 0 0 "[ . 1 . 2 ]" 1
343 1 32 LYS QG 1 33 VAL H 5.000 . 5.000 3.497 1.830 4.702 . 0 0 "[ . 1 . 2 ]" 1
344 1 33 VAL H 1 33 VAL QG 2.800 . 2.800 2.307 1.906 2.992 0.192 13 0 "[ . 1 . 2 ]" 1
345 1 33 VAL H 1 57 GLY H 5.000 . 5.000 3.500 2.715 4.585 . 0 0 "[ . 1 . 2 ]" 1
346 1 34 ASN HA 1 34 ASN HB3 2.800 . 2.800 2.511 2.234 2.883 0.083 16 0 "[ . 1 . 2 ]" 1
347 1 34 ASN HA 1 34 ASN HB2 2.800 . 2.800 2.646 2.358 3.010 0.210 9 0 "[ . 1 . 2 ]" 1
348 1 34 ASN HA 1 35 VAL H 5.000 . 5.000 2.325 2.165 2.863 . 0 0 "[ . 1 . 2 ]" 1
349 1 34 ASN HA 1 56 SER HA 3.500 . 3.500 2.546 1.885 3.541 0.041 16 0 "[ . 1 . 2 ]" 1
350 1 34 ASN HA 1 56 SER QB 5.000 . 5.000 3.335 1.846 4.896 . 0 0 "[ . 1 . 2 ]" 1
351 1 33 VAL QG 1 34 ASN H 5.000 . 5.000 2.736 1.653 3.688 . 0 0 "[ . 1 . 2 ]" 1
352 1 34 ASN H 1 53 ALA MB 5.000 . 5.000 4.023 2.577 5.033 0.033 21 0 "[ . 1 . 2 ]" 1
353 1 35 VAL HA 1 36 GLY H 5.000 . 5.000 2.184 2.145 2.241 . 0 0 "[ . 1 . 2 ]" 1
354 1 35 VAL HA 1 53 ALA MB 5.000 . 5.000 3.541 2.706 4.056 . 0 0 "[ . 1 . 2 ]" 1
355 1 35 VAL QG 1 55 LYS HA 5.000 . 5.000 2.693 1.768 3.446 0.032 16 0 "[ . 1 . 2 ]" 1
356 1 35 VAL QG 1 56 SER QB 5.000 . 5.000 2.902 1.803 4.402 . 0 0 "[ . 1 . 2 ]" 1
357 1 35 VAL QG 1 56 SER H 5.000 . 5.000 2.181 1.820 2.691 . 0 0 "[ . 1 . 2 ]" 1
358 1 35 VAL QG 1 54 ASP HA 5.000 . 5.000 2.352 1.784 3.257 . 0 0 "[ . 1 . 2 ]" 1
359 1 34 ASN QB 1 35 VAL H 5.000 . 5.000 2.744 1.857 3.202 . 0 0 "[ . 1 . 2 ]" 1
360 1 35 VAL H 1 53 ALA MB 5.000 . 5.000 4.686 4.307 5.010 0.010 4 0 "[ . 1 . 2 ]" 1
361 1 35 VAL H 1 56 SER QB 5.000 . 5.000 3.377 1.866 5.003 0.003 20 0 "[ . 1 . 2 ]" 1
362 1 36 GLY QA 1 52 GLU QB 5.000 . 5.000 3.748 2.857 4.390 . 0 0 "[ . 1 . 2 ]" 1
363 1 35 VAL QG 1 36 GLY H 5.000 . 5.000 2.742 1.999 3.264 . 0 0 "[ . 1 . 2 ]" 1
364 1 36 GLY H 1 37 ASP H 3.500 . 3.500 2.283 1.882 2.896 . 0 0 "[ . 1 . 2 ]" 1
365 1 36 GLY H 1 53 ALA MB 5.000 . 5.000 3.569 2.748 4.059 . 0 0 "[ . 1 . 2 ]" 1
366 1 36 GLY QA 1 37 ASP HA 5.000 . 5.000 4.026 4.012 4.072 . 0 0 "[ . 1 . 2 ]" 1
367 1 37 ASP HA 1 37 ASP HB3 2.800 . 2.800 2.818 2.812 2.828 0.028 7 0 "[ . 1 . 2 ]" 1
368 1 37 ASP HA 1 37 ASP HB2 2.800 . 2.800 2.873 2.864 2.879 0.079 3 0 "[ . 1 . 2 ]" 1
369 1 37 ASP HA 1 38 THR H 2.800 . 2.800 2.338 2.139 2.631 . 0 0 "[ . 1 . 2 ]" 1
370 1 37 ASP HB3 1 53 ALA MB 5.000 . 5.000 3.259 2.695 3.905 . 0 0 "[ . 1 . 2 ]" 1
371 1 37 ASP HB2 1 53 ALA MB 5.000 . 5.000 3.321 2.693 3.928 . 0 0 "[ . 1 . 2 ]" 1
372 1 36 GLY QA 1 37 ASP H 5.000 . 5.000 2.857 2.715 2.919 . 0 0 "[ . 1 . 2 ]" 1
373 1 37 ASP H 1 38 THR H 5.000 . 5.000 4.564 4.320 4.636 . 0 0 "[ . 1 . 2 ]" 1
374 1 37 ASP H 1 53 ALA MB 3.500 . 3.500 3.275 2.744 3.502 0.002 9 0 "[ . 1 . 2 ]" 1
375 1 37 ASP H 1 53 ALA H 5.000 . 5.000 4.600 4.012 5.008 0.008 7 0 "[ . 1 . 2 ]" 1
376 1 38 THR HA 1 39 LEU H 5.000 . 5.000 2.536 2.145 2.829 . 0 0 "[ . 1 . 2 ]" 1
377 1 38 THR HA 1 40 CYS H 5.000 . 5.000 4.910 4.629 5.032 0.032 13 0 "[ . 1 . 2 ]" 1
378 1 38 THR HA 1 52 GLU HA 3.500 . 3.500 2.076 1.883 2.438 . 0 0 "[ . 1 . 2 ]" 1
379 1 38 THR HA 1 52 GLU QG 5.000 . 5.000 2.403 1.789 4.252 0.011 14 0 "[ . 1 . 2 ]" 1
380 1 38 THR MG 1 50 GLN HA 5.000 . 5.000 4.569 3.913 4.954 . 0 0 "[ . 1 . 2 ]" 1
381 1 38 THR MG 1 39 LEU H 5.000 . 5.000 2.080 1.807 2.860 . 0 0 "[ . 1 . 2 ]" 1
382 1 38 THR MG 1 40 CYS HA 5.000 . 5.000 4.153 3.499 4.459 . 0 0 "[ . 1 . 2 ]" 1
383 1 38 THR MG 1 40 CYS H 5.000 . 5.000 3.570 3.184 4.099 . 0 0 "[ . 1 . 2 ]" 1
384 1 38 THR MG 1 50 GLN HB3 5.000 . 5.000 4.088 3.650 4.464 . 0 0 "[ . 1 . 2 ]" 1
385 1 38 THR MG 1 50 GLN HB2 5.000 . 5.000 2.924 2.318 4.174 . 0 0 "[ . 1 . 2 ]" 1
386 1 37 ASP QB 1 38 THR H 5.000 . 5.000 2.873 2.191 3.617 . 0 0 "[ . 1 . 2 ]" 1
387 1 38 THR H 1 52 GLU QG 5.000 . 5.000 4.335 3.333 5.022 0.022 2 0 "[ . 1 . 2 ]" 1
388 1 39 LEU HA 1 39 LEU QD 2.800 . 2.800 2.605 1.927 2.772 . 0 0 "[ . 1 . 2 ]" 1
389 1 39 LEU HA 1 39 LEU HG 3.500 . 3.500 2.573 2.282 2.866 . 0 0 "[ . 1 . 2 ]" 1
390 1 39 LEU QB 1 40 CYS H 2.800 . 2.800 1.931 1.861 2.141 . 0 0 "[ . 1 . 2 ]" 1
391 1 39 LEU QB 1 51 ILE MG 2.800 . 2.800 2.771 2.043 2.863 0.063 9 0 "[ . 1 . 2 ]" 1
392 1 39 LEU QD 1 51 ILE QG 2.800 . 2.800 2.804 2.684 2.837 0.037 17 0 "[ . 1 . 2 ]" 1
393 1 39 LEU QD 1 53 ALA HA 2.800 . 2.800 2.460 1.835 2.839 0.039 4 0 "[ . 1 . 2 ]" 1
394 1 39 LEU QD 1 53 ALA MB 2.800 . 2.800 2.431 1.970 2.808 0.008 4 0 "[ . 1 . 2 ]" 1
395 1 39 LEU QD 1 53 ALA H 5.000 . 5.000 2.887 2.392 3.577 . 0 0 "[ . 1 . 2 ]" 1
396 1 38 THR HB 1 39 LEU H 5.000 . 5.000 2.814 2.113 4.044 . 0 0 "[ . 1 . 2 ]" 1
397 1 39 LEU H 1 39 LEU QD 5.000 . 5.000 3.960 3.598 4.091 . 0 0 "[ . 1 . 2 ]" 1
398 1 39 LEU H 1 39 LEU HG 5.000 . 5.000 4.548 4.404 4.643 . 0 0 "[ . 1 . 2 ]" 1
399 1 39 LEU H 1 40 CYS H 3.500 . 3.500 2.540 2.276 2.803 . 0 0 "[ . 1 . 2 ]" 1
400 1 39 LEU H 1 51 ILE HB 5.000 . 5.000 4.450 4.092 4.675 . 0 0 "[ . 1 . 2 ]" 1
401 1 39 LEU H 1 51 ILE MG 5.000 . 5.000 4.836 4.385 5.014 0.014 7 0 "[ . 1 . 2 ]" 1
402 1 39 LEU H 1 52 GLU HA 5.000 . 5.000 2.826 1.929 3.409 . 0 0 "[ . 1 . 2 ]" 1
403 1 40 CYS HA 1 40 CYS QB 2.800 . 2.800 2.345 2.159 2.539 . 0 0 "[ . 1 . 2 ]" 1
404 1 40 CYS HA 1 41 ILE H 5.000 . 5.000 2.345 2.252 2.446 . 0 0 "[ . 1 . 2 ]" 1
405 1 40 CYS QB 1 41 ILE H 2.800 . 2.800 2.650 2.424 2.842 0.042 3 0 "[ . 1 . 2 ]" 1
406 1 39 LEU HA 1 40 CYS H 5.000 . 5.000 3.563 3.552 3.573 . 0 0 "[ . 1 . 2 ]" 1
407 1 39 LEU HG 1 40 CYS H 5.000 . 5.000 3.688 3.015 4.767 . 0 0 "[ . 1 . 2 ]" 1
408 1 40 CYS H 1 51 ILE HB 5.000 . 5.000 3.096 2.545 3.360 . 0 0 "[ . 1 . 2 ]" 1
409 1 40 CYS H 1 51 ILE H 3.500 . 3.500 2.660 2.303 2.981 . 0 0 "[ . 1 . 2 ]" 1
410 1 41 ILE HA 1 42 VAL H 2.800 . 2.800 2.221 2.143 2.363 . 0 0 "[ . 1 . 2 ]" 1
411 1 41 ILE HA 1 50 GLN HA 5.000 . 5.000 1.855 1.836 1.967 . 0 0 "[ . 1 . 2 ]" 1
412 1 41 ILE HA 1 51 ILE QG 5.000 . 5.000 4.511 3.750 5.044 0.044 9 0 "[ . 1 . 2 ]" 1
413 1 41 ILE HA 1 51 ILE H 5.000 . 5.000 3.504 3.054 3.775 . 0 0 "[ . 1 . 2 ]" 1
414 1 41 ILE MD 1 48 MET QB 5.000 . 5.000 3.316 2.832 4.166 . 0 0 "[ . 1 . 2 ]" 1
415 1 41 ILE MD 1 48 MET ME 5.000 . 5.000 4.128 3.540 4.967 . 0 0 "[ . 1 . 2 ]" 1
416 1 41 ILE MD 1 50 GLN QG 5.000 . 5.000 4.419 2.888 4.865 . 0 0 "[ . 1 . 2 ]" 1
417 1 41 ILE QG 1 41 ILE MG 2.800 . 2.800 2.122 2.080 2.177 . 0 0 "[ . 1 . 2 ]" 1
418 1 41 ILE MG 1 42 VAL H 3.500 . 3.500 2.283 1.839 2.798 . 0 0 "[ . 1 . 2 ]" 1
419 1 41 ILE MG 1 48 MET HA 5.000 . 5.000 1.878 1.759 2.371 0.041 19 0 "[ . 1 . 2 ]" 1
420 1 41 ILE MG 1 48 MET QB 5.000 . 5.000 3.145 2.689 3.926 . 0 0 "[ . 1 . 2 ]" 1
421 1 41 ILE MG 1 49 ASN H 5.000 . 5.000 2.937 2.146 3.530 . 0 0 "[ . 1 . 2 ]" 1
422 1 41 ILE MG 1 50 GLN QB 3.500 . 3.500 3.573 3.524 3.668 0.168 12 0 "[ . 1 . 2 ]" 1
423 1 41 ILE MG 1 43 GLU QB 5.000 . 5.000 2.230 1.972 2.994 . 0 0 "[ . 1 . 2 ]" 1
424 1 41 ILE H 1 41 ILE HB 3.500 . 3.500 2.385 2.283 2.475 . 0 0 "[ . 1 . 2 ]" 1
425 1 41 ILE H 1 41 ILE MD 5.000 . 5.000 3.152 2.808 3.515 . 0 0 "[ . 1 . 2 ]" 1
426 1 41 ILE H 1 41 ILE QG 5.000 . 5.000 2.851 2.680 3.088 . 0 0 "[ . 1 . 2 ]" 1
427 1 42 VAL HB 1 49 ASN HB3 5.000 . 5.000 2.590 1.875 4.897 . 0 0 "[ . 1 . 2 ]" 1
428 1 42 VAL QG 1 43 GLU H 5.000 . 5.000 3.415 3.233 3.498 . 0 0 "[ . 1 . 2 ]" 1
429 1 42 VAL QG 1 44 ALA MB 3.500 . 3.500 2.436 1.815 2.859 . 0 0 "[ . 1 . 2 ]" 1
430 1 76 LEU QB 1 77 VAL QG 3.500 . 3.500 2.338 1.995 2.745 . 0 0 "[ . 1 . 2 ]" 1
431 1 42 VAL MG1 1 47 MET ME 3.500 . 3.500 3.356 2.315 3.524 0.024 12 0 "[ . 1 . 2 ]" 1
432 1 42 VAL MG2 1 47 MET ME 3.500 . 3.500 3.519 3.385 3.656 0.156 14 0 "[ . 1 . 2 ]" 1
433 1 41 ILE QG 1 42 VAL H 5.000 . 5.000 3.807 3.417 3.959 . 0 0 "[ . 1 . 2 ]" 1
434 1 42 VAL H 1 42 VAL HB 2.800 . 2.800 2.682 2.387 2.849 0.049 9 0 "[ . 1 . 2 ]" 1
435 1 42 VAL H 1 42 VAL QG 3.500 . 3.500 2.173 1.872 2.673 . 0 0 "[ . 1 . 2 ]" 1
436 1 42 VAL H 1 49 ASN QB 5.000 . 5.000 3.178 1.903 4.751 . 0 0 "[ . 1 . 2 ]" 1
437 1 42 VAL H 1 49 ASN H 5.000 . 5.000 3.405 2.721 3.846 . 0 0 "[ . 1 . 2 ]" 1
438 1 42 VAL H 1 50 GLN HA 5.000 . 5.000 3.329 2.284 4.003 . 0 0 "[ . 1 . 2 ]" 1
439 1 43 GLU HA 1 43 GLU QG 3.500 2.500 3.500 2.488 2.381 2.717 0.119 9 0 "[ . 1 . 2 ]" 1
440 1 43 GLU HA 1 44 ALA H 2.800 . 2.800 2.642 2.251 2.824 0.024 19 0 "[ . 1 . 2 ]" 1
441 1 43 GLU HA 1 48 MET HA 5.000 . 5.000 3.202 3.000 3.466 . 0 0 "[ . 1 . 2 ]" 1
442 1 43 GLU HA 1 49 ASN H 3.500 . 3.500 3.504 3.097 3.581 0.081 14 0 "[ . 1 . 2 ]" 1
443 1 43 GLU QG 1 46 LYS HA 5.000 . 5.000 3.065 2.483 3.904 . 0 0 "[ . 1 . 2 ]" 1
444 1 43 GLU QG 1 48 MET ME 2.800 . 2.800 2.680 2.305 2.844 0.044 11 0 "[ . 1 . 2 ]" 1
445 1 43 GLU H 1 43 GLU QG 5.000 . 5.000 4.059 2.623 4.255 . 0 0 "[ . 1 . 2 ]" 1
446 1 44 ALA MB 1 45 MET QG 6.000 . 6.000 3.291 2.467 4.010 . 0 0 "[ . 1 . 2 ]" 1
447 1 44 ALA MB 1 45 MET H 6.000 . 6.000 3.091 1.824 3.684 . 0 0 "[ . 1 . 2 ]" 1
448 1 44 ALA MB 1 47 MET ME 6.000 . 6.000 1.839 1.767 2.142 0.033 4 0 "[ . 1 . 2 ]" 1
449 1 44 ALA MB 1 49 ASN QD 6.000 . 6.000 3.665 2.911 4.288 . 0 0 "[ . 1 . 2 ]" 1
450 1 43 GLU QG 1 44 ALA H 5.000 . 5.000 4.241 3.519 4.807 . 0 0 "[ . 1 . 2 ]" 1
451 1 44 ALA H 1 44 ALA MB 3.500 . 3.500 2.184 2.031 2.503 . 0 0 "[ . 1 . 2 ]" 1
452 1 44 ALA H 1 47 MET H 5.000 . 5.000 3.556 2.975 3.924 . 0 0 "[ . 1 . 2 ]" 1
453 1 44 ALA H 1 48 MET HA 5.000 . 5.000 4.974 4.666 5.078 0.078 9 0 "[ . 1 . 2 ]" 1
454 1 44 ALA H 1 49 ASN H 5.000 . 5.000 3.571 3.109 4.001 . 0 0 "[ . 1 . 2 ]" 1
455 1 45 MET HA 1 45 MET QB 2.800 . 2.800 2.173 2.153 2.184 . 0 0 "[ . 1 . 2 ]" 1
456 1 45 MET HA 1 46 LYS H 3.500 . 3.500 2.844 2.535 3.039 . 0 0 "[ . 1 . 2 ]" 1
457 1 45 MET QG 1 47 MET HB3 3.500 . 3.500 2.394 1.893 3.529 0.029 19 0 "[ . 1 . 2 ]" 1
458 1 45 MET QG 1 47 MET HB2 3.500 . 3.500 3.407 2.940 3.613 0.113 5 0 "[ . 1 . 2 ]" 1
459 1 45 MET H 1 45 MET HA 2.800 . 2.800 2.624 2.269 2.931 0.131 5 0 "[ . 1 . 2 ]" 1
460 1 45 MET H 1 45 MET QG 5.000 . 5.000 3.056 1.901 3.970 . 0 0 "[ . 1 . 2 ]" 1
461 1 45 MET H 1 46 LYS HA 5.000 . 5.000 4.496 3.945 5.079 0.079 21 0 "[ . 1 . 2 ]" 1
462 1 45 MET H 1 46 LYS H 5.000 . 5.000 2.422 1.885 2.912 . 0 0 "[ . 1 . 2 ]" 1
463 1 46 LYS HA 1 46 LYS QD 5.000 . 5.000 1.919 1.792 2.323 0.008 13 0 "[ . 1 . 2 ]" 1
464 1 46 LYS HA 1 47 MET H 5.000 . 5.000 2.827 2.492 3.140 . 0 0 "[ . 1 . 2 ]" 1
465 1 46 LYS HA 1 48 MET ME 5.000 . 5.000 2.706 1.875 3.522 . 0 0 "[ . 1 . 2 ]" 1
466 1 46 LYS HD3 1 48 MET ME 2.800 . 2.800 2.003 1.742 2.639 0.058 11 0 "[ . 1 . 2 ]" 1
467 1 46 LYS HD2 1 48 MET ME 2.800 . 2.800 2.568 1.894 2.839 0.039 16 0 "[ . 1 . 2 ]" 1
468 1 43 GLU QB 1 46 LYS H 5.000 . 5.000 4.566 3.856 4.993 . 0 0 "[ . 1 . 2 ]" 1
469 1 44 ALA H 1 46 LYS H 5.000 . 5.000 4.022 3.608 4.417 . 0 0 "[ . 1 . 2 ]" 1
470 1 46 LYS H 1 46 LYS HA 2.800 . 2.800 2.277 2.266 2.291 . 0 0 "[ . 1 . 2 ]" 1
471 1 46 LYS H 1 46 LYS QD 5.000 . 5.000 3.981 3.657 4.287 . 0 0 "[ . 1 . 2 ]" 1
472 1 46 LYS H 1 46 LYS QG 5.000 . 5.000 4.195 3.153 4.549 . 0 0 "[ . 1 . 2 ]" 1
473 1 46 LYS H 1 47 MET H 5.000 . 5.000 2.675 2.439 2.966 . 0 0 "[ . 1 . 2 ]" 1
474 1 47 MET HB3 1 47 MET QG 2.800 . 2.800 2.382 2.162 2.506 . 0 0 "[ . 1 . 2 ]" 1
475 1 47 MET HB2 1 47 MET QG 2.800 . 2.800 2.274 2.136 2.430 . 0 0 "[ . 1 . 2 ]" 1
476 1 47 MET ME 1 49 ASN HB3 3.500 . 3.500 2.322 1.791 3.169 0.009 11 0 "[ . 1 . 2 ]" 1
477 1 47 MET ME 1 49 ASN HB2 3.500 . 3.500 2.075 1.774 3.535 0.035 14 0 "[ . 1 . 2 ]" 1
478 1 47 MET ME 1 49 ASN QD 5.000 . 5.000 2.004 1.765 2.232 . 0 0 "[ . 1 . 2 ]" 1
479 1 46 LYS QD 1 47 MET H 5.000 . 5.000 4.141 3.520 4.664 . 0 0 "[ . 1 . 2 ]" 1
480 1 47 MET H 1 47 MET QG 5.000 . 5.000 2.821 1.921 4.113 . 0 0 "[ . 1 . 2 ]" 1
481 1 48 MET HA 1 48 MET QG 3.500 2.500 3.500 2.830 2.367 3.056 0.133 11 0 "[ . 1 . 2 ]" 1
482 1 48 MET HA 1 49 ASN H 2.800 . 2.800 2.749 2.490 2.840 0.040 9 0 "[ . 1 . 2 ]" 1
483 1 48 MET HB2 1 48 MET QG 2.800 . 2.800 2.189 2.132 2.479 . 0 0 "[ . 1 . 2 ]" 1
484 1 48 MET ME 1 48 MET QG 2.800 . 2.800 2.146 1.968 2.598 . 0 0 "[ . 1 . 2 ]" 1
485 1 48 MET H 1 48 MET QG 5.000 . 5.000 2.796 2.092 4.256 . 0 0 "[ . 1 . 2 ]" 1
486 1 46 LYS QB 1 48 MET H 5.000 . 5.000 4.872 4.522 5.053 0.053 12 0 "[ . 1 . 2 ]" 1
487 1 46 LYS QE 1 48 MET H 5.000 . 5.000 4.845 4.284 5.060 0.060 5 0 "[ . 1 . 2 ]" 1
488 1 47 MET HA 1 48 MET H 2.800 . 2.800 3.287 3.105 3.469 0.669 9 11 "[* .* +1-* ** * 2***]" 1
489 1 41 ILE QG 1 48 MET H 5.000 . 5.000 5.096 5.061 5.186 0.186 9 0 "[ . 1 . 2 ]" 1
490 1 41 ILE MG 1 48 MET H 5.000 . 5.000 3.502 3.257 3.917 . 0 0 "[ . 1 . 2 ]" 1
491 1 49 ASN HA 1 50 GLN H 3.500 . 3.500 2.392 2.138 2.580 . 0 0 "[ . 1 . 2 ]" 1
492 1 49 ASN HB3 1 51 ILE MD 5.000 . 5.000 4.202 3.204 5.035 0.035 9 0 "[ . 1 . 2 ]" 1
493 1 49 ASN HB2 1 51 ILE MD 5.000 . 5.000 4.581 2.941 4.993 . 0 0 "[ . 1 . 2 ]" 1
494 1 49 ASN H 1 49 ASN QD 5.000 . 5.000 4.323 3.474 4.544 . 0 0 "[ . 1 . 2 ]" 1
495 1 44 ALA H 1 49 ASN QD 5.000 . 5.000 4.662 3.733 4.998 . 0 0 "[ . 1 . 2 ]" 1
496 1 48 MET QB 1 49 ASN H 5.000 . 5.000 3.870 3.812 3.913 . 0 0 "[ . 1 . 2 ]" 1
497 1 50 GLN HA 1 51 ILE H 2.800 . 2.800 2.151 2.120 2.211 . 0 0 "[ . 1 . 2 ]" 1
498 1 50 GLN HB2 1 50 GLN QG 2.800 . 2.800 2.264 2.129 2.522 . 0 0 "[ . 1 . 2 ]" 1
499 1 38 THR MG 1 50 GLN HE21 5.000 . 5.000 3.605 2.214 5.007 0.007 16 0 "[ . 1 . 2 ]" 1
500 1 38 THR MG 1 50 GLN HE22 5.000 . 5.000 3.780 1.792 4.919 . 0 0 "[ . 1 . 2 ]" 1
501 1 49 ASN QB 1 50 GLN H 5.000 . 5.000 3.985 3.365 4.063 . 0 0 "[ . 1 . 2 ]" 1
502 1 50 GLN H 1 50 GLN QG 5.000 . 5.000 2.386 2.030 4.005 . 0 0 "[ . 1 . 2 ]" 1
503 1 50 GLN H 1 51 ILE H 5.000 . 5.000 4.435 4.245 4.571 . 0 0 "[ . 1 . 2 ]" 1
504 1 51 ILE HA 1 51 ILE MD 2.800 . 2.800 2.100 1.913 2.382 . 0 0 "[ . 1 . 2 ]" 1
505 1 51 ILE HA 1 51 ILE MG 2.800 . 2.800 2.239 2.127 2.422 . 0 0 "[ . 1 . 2 ]" 1
506 1 51 ILE HA 1 52 GLU H 2.800 . 2.800 2.333 2.210 2.446 . 0 0 "[ . 1 . 2 ]" 1
507 1 42 VAL HB 1 51 ILE MD 5.000 . 5.000 4.643 3.830 5.006 0.006 20 0 "[ . 1 . 2 ]" 1
508 1 51 ILE MD 1 52 GLU H 5.000 . 5.000 3.705 3.494 4.109 . 0 0 "[ . 1 . 2 ]" 1
509 1 51 ILE QG 1 51 ILE MG 2.800 . 2.800 2.206 2.037 2.417 . 0 0 "[ . 1 . 2 ]" 1
510 1 51 ILE MG 1 52 GLU H 3.500 . 3.500 1.945 1.794 2.279 0.006 2 0 "[ . 1 . 2 ]" 1
511 1 38 THR MG 1 51 ILE H 5.000 . 5.000 4.518 4.004 4.995 . 0 0 "[ . 1 . 2 ]" 1
512 1 50 GLN QB 1 51 ILE H 5.000 . 5.000 3.342 2.934 3.985 . 0 0 "[ . 1 . 2 ]" 1
513 1 51 ILE H 1 51 ILE HB 2.800 . 2.800 2.639 2.397 2.727 . 0 0 "[ . 1 . 2 ]" 1
514 1 51 ILE H 1 51 ILE MD 5.000 . 5.000 2.887 1.990 3.306 . 0 0 "[ . 1 . 2 ]" 1
515 1 51 ILE H 1 51 ILE QG 5.000 . 5.000 2.144 1.860 3.411 . 0 0 "[ . 1 . 2 ]" 1
516 1 52 GLU HA 1 52 GLU QG 3.500 . 3.500 2.524 2.178 3.300 . 0 0 "[ . 1 . 2 ]" 1
517 1 52 GLU HA 1 53 ALA H 2.800 . 2.800 2.145 2.137 2.161 . 0 0 "[ . 1 . 2 ]" 1
518 1 52 GLU QB 1 53 ALA H 3.500 . 3.500 3.370 3.186 3.517 0.017 16 0 "[ . 1 . 2 ]" 1
519 1 39 LEU QD 1 52 GLU H 5.000 . 5.000 4.057 3.743 4.356 . 0 0 "[ . 1 . 2 ]" 1
520 1 51 ILE HB 1 52 GLU H 5.000 . 5.000 3.584 3.297 4.047 . 0 0 "[ . 1 . 2 ]" 1
521 1 51 ILE QG 1 52 GLU H 5.000 . 5.000 4.409 3.970 4.637 . 0 0 "[ . 1 . 2 ]" 1
522 1 52 GLU H 1 52 GLU QG 3.500 . 3.500 2.969 2.257 3.346 . 0 0 "[ . 1 . 2 ]" 1
523 1 53 ALA HA 1 54 ASP H 2.800 . 2.800 2.179 2.141 2.273 . 0 0 "[ . 1 . 2 ]" 1
524 1 53 ALA MB 1 54 ASP H 6.000 . 6.000 3.284 2.680 3.574 . 0 0 "[ . 1 . 2 ]" 1
525 1 53 ALA MB 1 55 LYS H 3.500 . 3.500 3.255 2.805 3.536 0.036 13 0 "[ . 1 . 2 ]" 1
526 1 38 THR HA 1 53 ALA H 5.000 . 5.000 3.479 2.919 3.957 . 0 0 "[ . 1 . 2 ]" 1
527 1 39 LEU HG 1 53 ALA H 5.000 . 5.000 4.787 2.899 5.006 0.006 6 0 "[ . 1 . 2 ]" 1
528 1 53 ALA H 1 53 ALA HA 2.800 . 2.800 2.689 2.661 2.766 . 0 0 "[ . 1 . 2 ]" 1
529 1 53 ALA H 1 53 ALA MB 2.800 . 2.800 2.183 2.069 2.268 . 0 0 "[ . 1 . 2 ]" 1
530 1 54 ASP HA 1 54 ASP HB3 2.800 . 2.800 2.419 2.302 2.572 . 0 0 "[ . 1 . 2 ]" 1
531 1 7 VAL QG 1 54 ASP H 5.000 . 5.000 4.492 3.293 5.004 0.004 12 0 "[ . 1 . 2 ]" 1
532 1 54 ASP H 1 54 ASP QB 3.500 . 3.500 2.897 2.353 3.215 . 0 0 "[ . 1 . 2 ]" 1
533 1 54 ASP H 1 55 LYS H 3.500 . 3.500 2.299 1.872 2.913 . 0 0 "[ . 1 . 2 ]" 1
534 1 55 LYS HA 1 55 LYS QD 5.000 . 5.000 3.352 2.033 4.216 . 0 0 "[ . 1 . 2 ]" 1
535 1 55 LYS HA 1 56 SER H 5.000 . 5.000 2.692 2.138 3.521 . 0 0 "[ . 1 . 2 ]" 1
536 1 5 HIS HD2 1 55 LYS QB 5.000 . 5.000 2.947 1.791 4.863 . 0 0 "[ . 1 . 2 ]" 1
537 1 55 LYS QB 1 56 SER H 5.000 . 5.000 3.460 2.733 4.017 . 0 0 "[ . 1 . 2 ]" 1
538 1 55 LYS QB 1 79 ILE MG 5.000 . 5.000 3.770 2.844 5.016 0.016 16 0 "[ . 1 . 2 ]" 1
539 1 55 LYS QG 1 56 SER H 5.000 . 5.000 4.035 3.210 4.765 . 0 0 "[ . 1 . 2 ]" 1
540 1 35 VAL HA 1 55 LYS H 5.000 . 5.000 3.954 2.546 4.715 . 0 0 "[ . 1 . 2 ]" 1
541 1 35 VAL QG 1 55 LYS H 5.000 . 5.000 3.327 2.271 4.165 . 0 0 "[ . 1 . 2 ]" 1
542 1 53 ALA HA 1 55 LYS H 5.000 . 5.000 3.525 3.172 3.945 . 0 0 "[ . 1 . 2 ]" 1
543 1 54 ASP QB 1 55 LYS H 5.000 . 5.000 3.817 3.453 4.054 . 0 0 "[ . 1 . 2 ]" 1
544 1 55 LYS H 1 56 SER H 5.000 . 5.000 3.067 1.870 4.370 . 0 0 "[ . 1 . 2 ]" 1
545 1 35 VAL HA 1 56 SER H 5.000 . 5.000 3.760 2.912 4.686 . 0 0 "[ . 1 . 2 ]" 1
546 1 35 VAL HB 1 56 SER H 5.000 . 5.000 4.838 4.340 5.016 0.016 16 0 "[ . 1 . 2 ]" 1
547 1 53 ALA MB 1 56 SER H 5.000 . 5.000 4.174 3.104 5.022 0.022 19 0 "[ . 1 . 2 ]" 1
548 1 56 SER H 1 79 ILE MG 5.000 . 5.000 4.969 4.633 5.066 0.066 13 0 "[ . 1 . 2 ]" 1
549 1 57 GLY QA 1 58 THR H 5.000 . 5.000 2.351 2.123 2.871 . 0 0 "[ . 1 . 2 ]" 1
550 1 57 GLY QA 1 79 ILE QG 5.000 . 5.000 2.602 1.905 3.965 . 0 0 "[ . 1 . 2 ]" 1
551 1 56 SER QB 1 57 GLY H 5.000 . 5.000 3.089 2.027 4.022 . 0 0 "[ . 1 . 2 ]" 1
552 1 57 GLY H 1 58 THR HA 5.000 . 5.000 4.803 4.141 5.191 0.191 13 0 "[ . 1 . 2 ]" 1
553 1 57 GLY H 1 79 ILE MG 5.000 . 5.000 3.961 3.051 4.786 . 0 0 "[ . 1 . 2 ]" 1
554 1 58 THR HA 1 59 VAL H 5.000 . 5.000 2.231 2.141 2.521 . 0 0 "[ . 1 . 2 ]" 1
555 1 58 THR HB 1 80 GLU QB 5.000 . 5.000 3.475 2.005 4.872 . 0 0 "[ . 1 . 2 ]" 1
556 1 58 THR MG 1 60 LYS HA 5.000 . 5.000 4.149 3.736 4.488 . 0 0 "[ . 1 . 2 ]" 1
557 1 58 THR H 1 79 ILE QG 5.000 . 5.000 2.418 1.842 3.127 . 0 0 "[ . 1 . 2 ]" 1
558 1 58 THR H 1 80 GLU QB 5.000 . 5.000 4.397 3.000 5.001 0.001 18 0 "[ . 1 . 2 ]" 1
559 1 59 VAL HA 1 60 LYS H 5.000 . 5.000 2.157 2.135 2.195 . 0 0 "[ . 1 . 2 ]" 1
560 1 59 VAL HA 1 79 ILE HA 5.000 . 5.000 2.132 1.875 2.663 . 0 0 "[ . 1 . 2 ]" 1
561 1 59 VAL HA 1 79 ILE QG 5.000 . 5.000 3.258 2.517 4.387 . 0 0 "[ . 1 . 2 ]" 1
562 1 59 VAL HA 1 80 GLU H 3.500 . 3.500 3.461 3.211 3.534 0.034 12 0 "[ . 1 . 2 ]" 1
563 1 59 VAL QG 1 61 ALA HA 6.000 . 6.000 3.024 2.800 3.302 . 0 0 "[ . 1 . 2 ]" 1
564 1 59 VAL QG 1 61 ALA H 5.000 . 5.000 2.518 2.187 2.897 . 0 0 "[ . 1 . 2 ]" 1
565 1 59 VAL H 1 60 LYS H 5.000 . 5.000 4.510 4.401 4.603 . 0 0 "[ . 1 . 2 ]" 1
566 1 60 LYS HA 1 60 LYS QB 2.800 . 2.800 2.523 2.418 2.539 . 0 0 "[ . 1 . 2 ]" 1
567 1 60 LYS HA 1 60 LYS QD 2.800 . 2.800 2.252 1.874 2.796 . 0 0 "[ . 1 . 2 ]" 1
568 1 60 LYS HA 1 60 LYS QE 3.500 . 3.500 2.821 1.905 3.495 . 0 0 "[ . 1 . 2 ]" 1
569 1 60 LYS HA 1 60 LYS QG 2.800 . 2.800 2.470 2.209 2.794 . 0 0 "[ . 1 . 2 ]" 1
570 1 60 LYS QB 1 61 ALA MB 5.000 . 5.000 3.095 2.946 3.454 . 0 0 "[ . 1 . 2 ]" 1
571 1 60 LYS QB 1 61 ALA H 5.000 . 5.000 2.586 2.206 2.952 . 0 0 "[ . 1 . 2 ]" 1
572 1 60 LYS QB 1 78 VAL HB 5.000 . 5.000 3.778 3.654 3.979 . 0 0 "[ . 1 . 2 ]" 1
573 1 60 LYS QB 1 78 VAL QG 5.000 . 5.000 1.824 1.772 2.009 0.028 16 0 "[ . 1 . 2 ]" 1
574 1 60 LYS QB 1 80 GLU QB 5.000 . 5.000 2.782 1.877 3.586 . 0 0 "[ . 1 . 2 ]" 1
575 1 60 LYS QG 1 80 GLU QB 5.000 . 5.000 2.119 1.782 3.365 0.018 16 0 "[ . 1 . 2 ]" 1
576 1 58 THR MG 1 60 LYS H 5.000 . 5.000 4.785 4.411 5.001 0.001 7 0 "[ . 1 . 2 ]" 1
577 1 59 VAL MG1 1 60 LYS H 5.000 . 5.000 2.659 2.297 2.980 . 0 0 "[ . 1 . 2 ]" 1
578 1 59 VAL MG2 1 60 LYS H 5.000 . 5.000 3.999 3.804 4.164 . 0 0 "[ . 1 . 2 ]" 1
579 1 60 LYS H 1 60 LYS QG 5.000 . 5.000 3.777 3.425 4.179 . 0 0 "[ . 1 . 2 ]" 1
580 1 60 LYS H 1 61 ALA MB 5.000 . 5.000 4.704 4.418 4.926 . 0 0 "[ . 1 . 2 ]" 1
581 1 60 LYS H 1 61 ALA H 3.500 . 3.500 2.448 2.113 2.765 . 0 0 "[ . 1 . 2 ]" 1
582 1 60 LYS H 1 78 VAL HB 5.000 . 5.000 4.896 4.691 5.073 0.073 7 0 "[ . 1 . 2 ]" 1
583 1 61 ALA HA 1 62 ILE H 2.800 . 2.800 2.427 2.227 2.650 . 0 0 "[ . 1 . 2 ]" 1
584 1 61 ALA MB 1 62 ILE H 6.000 . 6.000 2.395 2.076 2.864 . 0 0 "[ . 1 . 2 ]" 1
585 1 61 ALA MB 1 63 LEU QD 6.000 . 6.000 3.154 2.918 3.732 . 0 0 "[ . 1 . 2 ]" 1
586 1 61 ALA MB 1 78 VAL HB 6.000 . 6.000 5.435 4.846 5.795 . 0 0 "[ . 1 . 2 ]" 1
587 1 61 ALA MB 1 78 VAL QG 6.000 . 6.000 2.791 2.376 3.077 . 0 0 "[ . 1 . 2 ]" 1
588 1 61 ALA MB 1 78 VAL H 6.000 . 6.000 4.603 4.287 4.850 . 0 0 "[ . 1 . 2 ]" 1
589 1 59 VAL HA 1 61 ALA H 5.000 . 5.000 4.017 3.569 4.286 . 0 0 "[ . 1 . 2 ]" 1
590 1 60 LYS HA 1 61 ALA H 5.000 . 5.000 3.543 3.463 3.570 . 0 0 "[ . 1 . 2 ]" 1
591 1 61 ALA H 1 62 ILE H 5.000 . 5.000 4.310 4.152 4.367 . 0 0 "[ . 1 . 2 ]" 1
592 1 61 ALA H 1 63 LEU QD 5.000 . 5.000 4.843 4.583 5.010 0.010 7 0 "[ . 1 . 2 ]" 1
593 1 61 ALA H 1 77 VAL QG 5.000 . 5.000 3.689 3.367 4.236 . 0 0 "[ . 1 . 2 ]" 1
594 1 61 ALA H 1 78 VAL HB 5.000 . 5.000 4.726 4.595 4.813 . 0 0 "[ . 1 . 2 ]" 1
595 1 61 ALA H 1 78 VAL H 5.000 . 5.000 3.248 3.000 3.569 . 0 0 "[ . 1 . 2 ]" 1
596 1 62 ILE HA 1 63 LEU H 5.000 . 5.000 2.233 2.169 2.341 . 0 0 "[ . 1 . 2 ]" 1
597 1 62 ILE HB 1 77 VAL QG 5.000 . 5.000 4.167 3.787 4.720 . 0 0 "[ . 1 . 2 ]" 1
598 1 62 ILE MD 1 76 LEU QD 5.000 . 5.000 4.480 3.560 5.011 0.011 2 0 "[ . 1 . 2 ]" 1
599 1 62 ILE MG 1 63 LEU H 5.000 . 5.000 2.218 1.849 2.581 . 0 0 "[ . 1 . 2 ]" 1
600 1 62 ILE MG 1 64 VAL H 5.000 . 5.000 2.422 1.921 2.868 . 0 0 "[ . 1 . 2 ]" 1
601 1 62 ILE H 1 62 ILE QG 5.000 . 5.000 2.961 2.633 3.301 . 0 0 "[ . 1 . 2 ]" 1
602 1 62 ILE H 1 63 LEU QD 5.000 . 5.000 3.878 3.414 4.552 . 0 0 "[ . 1 . 2 ]" 1
603 1 63 LEU HA 1 64 VAL H 5.000 . 5.000 3.521 3.431 3.561 . 0 0 "[ . 1 . 2 ]" 1
604 1 63 LEU QB 1 64 VAL QG 5.000 . 5.000 3.400 2.569 3.692 . 0 0 "[ . 1 . 2 ]" 1
605 1 63 LEU QD 1 78 VAL HB 5.000 . 5.000 4.449 4.056 4.801 . 0 0 "[ . 1 . 2 ]" 1
606 1 63 LEU QD 1 78 VAL QG 5.000 . 5.000 2.192 1.814 2.532 . 0 0 "[ . 1 . 2 ]" 1
607 1 63 LEU HG 1 78 VAL QG 5.000 . 5.000 4.093 2.700 4.911 . 0 0 "[ . 1 . 2 ]" 1
608 1 62 ILE MD 1 63 LEU H 5.000 . 5.000 4.526 4.259 4.864 . 0 0 "[ . 1 . 2 ]" 1
609 1 63 LEU H 1 63 LEU QD 5.000 . 5.000 2.480 1.834 3.131 . 0 0 "[ . 1 . 2 ]" 1
610 1 63 LEU H 1 63 LEU HG 5.000 . 5.000 3.979 2.439 4.625 . 0 0 "[ . 1 . 2 ]" 1
611 1 63 LEU H 1 64 VAL QG 5.000 . 5.000 3.593 3.295 3.805 . 0 0 "[ . 1 . 2 ]" 1
612 1 63 LEU H 1 64 VAL H 3.500 . 3.500 2.109 1.867 2.506 . 0 0 "[ . 1 . 2 ]" 1
613 1 63 LEU H 1 75 PRO QB 5.000 . 5.000 3.310 3.079 3.688 . 0 0 "[ . 1 . 2 ]" 1
614 1 63 LEU H 1 77 VAL QG 5.000 . 5.000 4.605 4.283 4.932 . 0 0 "[ . 1 . 2 ]" 1
615 1 64 VAL HA 1 65 GLU H 5.000 . 5.000 2.925 2.120 3.572 . 0 0 "[ . 1 . 2 ]" 1
616 1 64 VAL QG 1 65 GLU QB 5.000 . 5.000 3.725 3.439 4.676 . 0 0 "[ . 1 . 2 ]" 1
617 1 64 VAL QG 1 76 LEU HA 5.000 . 5.000 1.810 1.765 1.941 0.035 3 0 "[ . 1 . 2 ]" 1
618 1 64 VAL QG 1 76 LEU QD 6.000 . 6.000 1.958 1.750 2.587 0.050 10 0 "[ . 1 . 2 ]" 1
619 1 64 VAL MG1 1 65 GLU H 5.000 . 5.000 2.967 2.097 3.523 . 0 0 "[ . 1 . 2 ]" 1
620 1 64 VAL MG2 1 65 GLU H 5.000 . 5.000 3.943 3.763 4.394 . 0 0 "[ . 1 . 2 ]" 1
621 1 62 ILE MD 1 64 VAL H 5.000 . 5.000 4.865 4.455 5.056 0.056 13 0 "[ . 1 . 2 ]" 1
622 1 65 GLU HA 1 65 GLU QG 3.500 . 3.500 2.461 2.123 3.039 . 0 0 "[ . 1 . 2 ]" 1
623 1 65 GLU HA 1 66 SER H 5.000 . 5.000 2.336 2.179 2.708 . 0 0 "[ . 1 . 2 ]" 1
624 1 65 GLU HB3 1 65 GLU QG 2.800 . 2.800 2.327 2.131 2.524 . 0 0 "[ . 1 . 2 ]" 1
625 1 65 GLU HB2 1 65 GLU QG 2.800 . 2.800 2.302 2.130 2.517 . 0 0 "[ . 1 . 2 ]" 1
626 1 63 LEU QB 1 65 GLU H 5.000 . 5.000 4.929 4.425 5.298 0.298 13 0 "[ . 1 . 2 ]" 1
627 1 64 VAL H 1 65 GLU H 6.000 . 6.000 3.540 2.521 4.562 . 0 0 "[ . 1 . 2 ]" 1
628 1 65 GLU H 1 65 GLU QG 3.500 . 3.500 2.941 2.141 3.526 0.026 8 0 "[ . 1 . 2 ]" 1
629 1 65 GLU H 1 66 SER QB 5.000 . 5.000 5.167 4.734 5.440 0.440 8 0 "[ . 1 . 2 ]" 1
630 1 65 GLU H 1 68 GLN QE 5.000 . 5.000 4.772 3.517 5.050 0.050 20 0 "[ . 1 . 2 ]" 1
631 1 66 SER HA 1 67 GLY H 3.500 2.500 3.500 2.373 2.270 2.428 0.230 13 0 "[ . 1 . 2 ]" 1
632 1 66 SER QB 1 67 GLY H 5.000 . 5.000 3.270 2.847 4.077 . 0 0 "[ . 1 . 2 ]" 1
633 1 15 PHE QD 1 66 SER H 5.000 . 5.000 2.867 2.242 3.802 . 0 0 "[ . 1 . 2 ]" 1
634 1 15 PHE QE 1 66 SER H 5.000 . 5.000 3.571 1.863 4.810 . 0 0 "[ . 1 . 2 ]" 1
635 1 65 GLU QB 1 66 SER H 5.000 . 5.000 3.731 2.800 3.898 . 0 0 "[ . 1 . 2 ]" 1
636 1 65 GLU QG 1 66 SER H 5.000 . 5.000 4.448 3.595 4.957 . 0 0 "[ . 1 . 2 ]" 1
637 1 67 GLY QA 1 68 GLN H 5.000 . 5.000 2.900 2.799 2.924 . 0 0 "[ . 1 . 2 ]" 1
638 1 14 THR MG 1 67 GLY H 5.000 . 5.000 4.015 3.467 4.755 . 0 0 "[ . 1 . 2 ]" 1
639 1 67 GLY H 1 68 GLN QB 5.000 . 5.000 4.712 4.128 5.002 0.002 9 0 "[ . 1 . 2 ]" 1
640 1 67 GLY H 1 68 GLN H 3.500 . 3.500 2.664 2.534 2.910 . 0 0 "[ . 1 . 2 ]" 1
641 1 68 GLN HA 1 69 PRO QD 5.000 . 5.000 2.044 1.892 2.221 . 0 0 "[ . 1 . 2 ]" 1
642 1 64 VAL QG 1 68 GLN QB 5.000 . 5.000 3.356 1.641 5.024 0.024 6 0 "[ . 1 . 2 ]" 1
643 1 65 GLU QB 1 68 GLN QE 5.000 . 5.000 2.918 1.864 4.995 . 0 0 "[ . 1 . 2 ]" 1
644 1 68 GLN QE 1 69 PRO QG 5.000 . 5.000 4.689 3.141 5.041 0.041 6 0 "[ . 1 . 2 ]" 1
645 1 65 GLU QB 1 68 GLN QG 5.000 . 5.000 3.503 1.817 4.348 . 0 0 "[ . 1 . 2 ]" 1
646 1 64 VAL QG 1 68 GLN H 5.000 . 5.000 3.877 2.827 4.397 . 0 0 "[ . 1 . 2 ]" 1
647 1 65 GLU QB 1 68 GLN H 5.000 . 5.000 4.295 3.323 4.787 . 0 0 "[ . 1 . 2 ]" 1
648 1 66 SER QB 1 68 GLN H 5.000 . 5.000 4.544 4.108 4.629 . 0 0 "[ . 1 . 2 ]" 1
649 1 68 GLN H 1 68 GLN QG 5.000 . 5.000 3.733 2.589 4.209 . 0 0 "[ . 1 . 2 ]" 1
650 1 14 THR MG 1 69 PRO HA 5.000 . 5.000 2.887 2.072 4.426 . 0 0 "[ . 1 . 2 ]" 1
651 1 69 PRO HA 1 70 VAL QG 5.000 . 5.000 3.512 3.214 3.964 . 0 0 "[ . 1 . 2 ]" 1
652 1 69 PRO HA 1 70 VAL H 5.000 . 5.000 2.209 2.147 2.319 . 0 0 "[ . 1 . 2 ]" 1
653 1 70 VAL HA 1 71 GLU H 2.800 . 2.800 2.325 2.203 2.570 . 0 0 "[ . 1 . 2 ]" 1
654 1 70 VAL HB 1 71 GLU H 5.000 . 5.000 3.226 2.109 4.364 . 0 0 "[ . 1 . 2 ]" 1
655 1 70 VAL HB 1 74 GLU QB 5.000 . 5.000 3.716 1.894 5.015 0.015 19 0 "[ . 1 . 2 ]" 1
656 1 12 VAL HA 1 70 VAL QG 5.000 . 5.000 2.602 1.903 3.957 . 0 0 "[ . 1 . 2 ]" 1
657 1 12 VAL H 1 70 VAL QG 5.000 . 5.000 4.498 3.214 5.085 0.085 10 0 "[ . 1 . 2 ]" 1
658 1 69 PRO QB 1 70 VAL QG 5.000 . 5.000 4.299 3.922 4.747 . 0 0 "[ . 1 . 2 ]" 1
659 1 14 THR MG 1 70 VAL H 5.000 . 5.000 4.108 3.360 4.704 . 0 0 "[ . 1 . 2 ]" 1
660 1 69 PRO QB 1 70 VAL H 5.000 . 5.000 3.438 2.800 3.833 . 0 0 "[ . 1 . 2 ]" 1
661 1 12 VAL HA 1 71 GLU HA 3.500 . 3.500 2.911 2.200 3.667 0.167 14 0 "[ . 1 . 2 ]" 1
662 1 71 GLU HA 1 72 PHE H 5.000 . 5.000 2.376 2.188 2.926 . 0 0 "[ . 1 . 2 ]" 1
663 1 70 VAL QG 1 71 GLU H 5.000 . 5.000 2.568 1.788 3.375 . 0 0 "[ . 1 . 2 ]" 1
664 1 71 GLU H 1 74 GLU H 5.000 . 5.000 4.913 4.471 5.082 0.082 14 0 "[ . 1 . 2 ]" 1
665 1 11 MET HA 1 72 PHE HA 5.000 . 5.000 3.426 2.390 4.784 . 0 0 "[ . 1 . 2 ]" 1
666 1 12 VAL QG 1 72 PHE HA 5.000 . 5.000 3.646 3.247 4.270 . 0 0 "[ . 1 . 2 ]" 1
667 1 72 PHE HA 1 72 PHE HB3 2.800 . 2.800 2.977 2.948 3.013 0.213 11 0 "[ . 1 . 2 ]" 1
668 1 72 PHE HA 1 72 PHE HB2 2.800 . 2.800 2.473 2.308 2.702 . 0 0 "[ . 1 . 2 ]" 1
669 1 72 PHE HA 1 73 ASP H 5.000 . 5.000 2.173 2.139 2.343 . 0 0 "[ . 1 . 2 ]" 1
670 1 11 MET HA 1 72 PHE QD 5.000 . 5.000 3.450 2.295 4.647 . 0 0 "[ . 1 . 2 ]" 1
671 1 71 GLU QG 1 72 PHE H 5.000 . 5.000 3.694 1.946 4.734 . 0 0 "[ . 1 . 2 ]" 1
672 1 72 PHE H 1 72 PHE QD 5.000 . 5.000 4.106 3.704 4.544 . 0 0 "[ . 1 . 2 ]" 1
673 1 72 PHE H 1 74 GLU QB 5.000 . 5.000 4.560 3.017 5.029 0.029 16 0 "[ . 1 . 2 ]" 1
674 1 73 ASP HA 1 74 GLU H 5.000 . 5.000 2.590 2.348 2.907 . 0 0 "[ . 1 . 2 ]" 1
675 1 8 ARG QB 1 73 ASP H 5.000 . 5.000 4.030 3.346 4.837 . 0 0 "[ . 1 . 2 ]" 1
676 1 8 ARG QG 1 73 ASP H 5.000 . 5.000 4.301 3.581 4.955 . 0 0 "[ . 1 . 2 ]" 1
677 1 72 PHE QB 1 73 ASP H 5.000 . 5.000 3.722 3.136 4.032 . 0 0 "[ . 1 . 2 ]" 1
678 1 72 PHE QD 1 73 ASP H 5.000 . 5.000 2.817 1.886 4.121 . 0 0 "[ . 1 . 2 ]" 1
679 1 73 ASP H 1 74 GLU QB 5.000 . 5.000 4.182 3.961 4.650 . 0 0 "[ . 1 . 2 ]" 1
680 1 73 ASP H 1 74 GLU H 5.000 . 5.000 2.752 2.425 3.467 . 0 0 "[ . 1 . 2 ]" 1
681 1 74 GLU HA 1 74 GLU QB 2.800 . 2.800 2.525 2.503 2.539 . 0 0 "[ . 1 . 2 ]" 1
682 1 74 GLU HA 1 74 GLU QG 2.800 . 2.800 2.313 2.001 2.708 . 0 0 "[ . 1 . 2 ]" 1
683 1 74 GLU HA 1 75 PRO QD 5.000 . 5.000 1.918 1.819 1.990 . 0 0 "[ . 1 . 2 ]" 1
684 1 8 ARG QG 1 74 GLU H 5.000 . 5.000 3.777 2.718 4.816 . 0 0 "[ . 1 . 2 ]" 1
685 1 10 PRO QD 1 74 GLU H 5.000 . 5.000 4.992 4.881 5.071 0.071 14 0 "[ . 1 . 2 ]" 1
686 1 64 VAL QG 1 74 GLU H 5.000 . 5.000 4.409 3.985 5.067 0.067 13 0 "[ . 1 . 2 ]" 1
687 1 72 PHE HA 1 74 GLU H 5.000 . 5.000 4.237 3.474 4.775 . 0 0 "[ . 1 . 2 ]" 1
688 1 74 GLU H 1 75 PRO HA 5.000 . 5.000 4.974 4.740 5.114 0.114 10 0 "[ . 1 . 2 ]" 1
689 1 75 PRO QB 1 78 VAL QG 5.000 . 5.000 2.579 2.286 2.862 . 0 0 "[ . 1 . 2 ]" 1
690 1 73 ASP HA 1 75 PRO QD 5.000 . 5.000 4.702 4.182 5.049 0.049 1 0 "[ . 1 . 2 ]" 1
691 1 76 LEU HA 1 76 LEU QB . . 2.800 2.370 2.230 2.499 . 0 0 "[ . 1 . 2 ]" 1
692 1 76 LEU HA 1 76 LEU QD 3.500 . 3.500 2.311 1.816 3.086 . 0 0 "[ . 1 . 2 ]" 1
693 1 76 LEU HA 1 76 LEU HG 3.500 . 3.500 2.883 2.537 3.328 . 0 0 "[ . 1 . 2 ]" 1
694 1 76 LEU QB 1 76 LEU QD . . 2.800 1.865 1.798 1.942 0.002 7 0 "[ . 1 . 2 ]" 1
695 1 70 VAL MG1 1 76 LEU QD 5.000 . 5.000 2.286 1.752 3.941 . 0 0 "[ . 1 . 2 ]" 1
696 1 6 ILE MG 1 76 LEU H 5.000 . 5.000 4.207 3.623 4.690 . 0 0 "[ . 1 . 2 ]" 1
697 1 75 PRO HA 1 76 LEU H 5.000 . 5.000 2.324 2.241 2.399 . 0 0 "[ . 1 . 2 ]" 1
698 1 76 LEU H 1 76 LEU QD 5.000 . 5.000 2.986 2.137 3.432 . 0 0 "[ . 1 . 2 ]" 1
699 1 76 LEU H 1 76 LEU HG 3.500 . 3.500 2.315 1.911 3.053 . 0 0 "[ . 1 . 2 ]" 1
700 1 76 LEU H 1 77 VAL H 2.800 . 2.800 2.742 2.576 2.817 0.017 14 0 "[ . 1 . 2 ]" 1
701 1 77 VAL QG 1 78 VAL H 5.000 . 5.000 2.723 2.352 3.252 . 0 0 "[ . 1 . 2 ]" 1
702 1 77 VAL QG 1 79 ILE QG 5.000 . 5.000 3.159 2.277 3.987 . 0 0 "[ . 1 . 2 ]" 1
703 1 6 ILE MG 1 77 VAL H 5.000 . 5.000 4.105 3.633 4.822 . 0 0 "[ . 1 . 2 ]" 1
704 1 75 PRO HA 1 77 VAL H 5.000 . 5.000 3.831 3.604 4.074 . 0 0 "[ . 1 . 2 ]" 1
705 1 76 LEU QB 1 77 VAL H 5.000 . 5.000 2.377 2.192 2.645 . 0 0 "[ . 1 . 2 ]" 1
706 1 76 LEU MD1 1 77 VAL H 5.000 . 5.000 4.123 3.139 4.538 . 0 0 "[ . 1 . 2 ]" 1
707 1 78 VAL HA 1 79 ILE H 5.000 . 5.000 2.142 2.135 2.176 . 0 0 "[ . 1 . 2 ]" 1
708 1 78 VAL HB 1 79 ILE QG 5.000 . 5.000 4.999 4.882 5.061 0.061 16 0 "[ . 1 . 2 ]" 1
709 1 78 VAL QG 1 79 ILE H 5.000 . 5.000 3.556 3.417 3.624 . 0 0 "[ . 1 . 2 ]" 1
710 1 60 LYS QB 1 78 VAL H 5.000 . 5.000 4.554 4.230 4.943 . 0 0 "[ . 1 . 2 ]" 1
711 1 79 ILE QG 1 80 GLU H 5.000 . 5.000 2.100 1.793 2.361 0.007 17 0 "[ . 1 . 2 ]" 1
712 1 5 HIS QB 1 79 ILE H 5.000 . 5.000 4.295 2.465 5.007 0.007 9 0 "[ . 1 . 2 ]" 1
713 1 6 ILE HA 1 79 ILE H 5.000 . 5.000 3.088 2.547 3.587 . 0 0 "[ . 1 . 2 ]" 1
714 1 80 GLU HA 1 80 GLU QG 2.800 . 2.800 2.389 2.009 2.715 . 0 0 "[ . 1 . 2 ]" 1
715 1 58 THR MG 1 80 GLU H 5.000 . 5.000 4.117 3.018 4.953 . 0 0 "[ . 1 . 2 ]" 1
716 1 59 VAL QG 1 80 GLU H 5.000 . 5.000 4.478 4.272 4.552 . 0 0 "[ . 1 . 2 ]" 1
717 1 60 LYS QB 1 80 GLU H 5.000 . 5.000 3.396 2.928 3.824 . 0 0 "[ . 1 . 2 ]" 1
718 1 60 LYS QG 1 80 GLU H 5.000 . 5.000 4.053 3.327 4.923 . 0 0 "[ . 1 . 2 ]" 1
719 1 80 GLU H 1 80 GLU QG 5.000 . 5.000 3.995 3.683 4.355 . 0 0 "[ . 1 . 2 ]" 1
720 1 5 HIS HA 1 6 ILE H 5.000 . 5.000 2.366 2.141 2.796 . 0 0 "[ . 1 . 2 ]" 1
721 1 5 HIS H 1 6 ILE H 5.000 . 5.000 4.152 3.432 4.557 . 0 0 "[ . 1 . 2 ]" 1
722 1 5 HIS QB 1 6 ILE H 5.000 . 5.000 2.798 1.867 3.987 . 0 0 "[ . 1 . 2 ]" 1
723 1 6 ILE H 1 7 VAL H 5.000 . 5.000 4.272 3.854 4.594 . 0 0 "[ . 1 . 2 ]" 1
724 1 7 VAL H 1 8 ARG H 5.000 . 5.000 4.216 3.984 4.464 . 0 0 "[ . 1 . 2 ]" 1
725 1 7 VAL HB 1 8 ARG H 5.000 . 5.000 4.326 3.983 4.464 . 0 0 "[ . 1 . 2 ]" 1
726 1 8 ARG HA 1 9 SER H 5.000 . 5.000 2.263 2.143 2.509 . 0 0 "[ . 1 . 2 ]" 1
727 1 8 ARG H 1 9 SER H 5.000 . 5.000 4.543 4.391 4.616 . 0 0 "[ . 1 . 2 ]" 1
728 1 10 PRO HA 1 11 MET H 5.000 . 5.000 3.455 2.160 3.574 . 0 0 "[ . 1 . 2 ]" 1
729 1 11 MET H 1 12 VAL H 5.000 . 5.000 4.295 2.775 4.492 . 0 0 "[ . 1 . 2 ]" 1
730 1 13 GLY H 1 14 THR H 5.000 . 5.000 4.006 2.278 4.408 . 0 0 "[ . 1 . 2 ]" 1
731 1 16 TYR HA 1 17 ARG H 5.000 . 5.000 2.544 2.300 3.564 . 0 0 "[ . 1 . 2 ]" 1
732 1 16 TYR QB 1 17 ARG H 5.000 . 5.000 2.269 1.860 2.734 . 0 0 "[ . 1 . 2 ]" 1
733 1 33 VAL HA 1 34 ASN H 3.500 . 3.500 2.542 2.143 3.502 0.002 22 0 "[ . 1 . 2 ]" 1
734 1 34 ASN H 1 35 VAL H 5.000 . 5.000 4.439 4.087 4.594 . 0 0 "[ . 1 . 2 ]" 1
735 1 35 VAL H 1 36 GLY H 5.000 . 5.000 4.403 4.167 4.617 . 0 0 "[ . 1 . 2 ]" 1
736 1 40 CYS H 1 41 ILE H 5.000 . 5.000 4.291 4.204 4.360 . 0 0 "[ . 1 . 2 ]" 1
737 1 42 VAL HA 1 43 GLU H 2.800 . 2.800 3.444 3.391 3.516 0.716 1 23 [+*-********************] 1
738 1 42 VAL H 1 43 GLU H 5.000 . 5.000 2.176 1.861 2.403 . 0 0 "[ . 1 . 2 ]" 1
739 1 42 VAL HB 1 43 GLU H 5.000 . 5.000 3.020 2.728 3.211 . 0 0 "[ . 1 . 2 ]" 1
740 1 47 MET QB 1 48 MET H 5.000 . 5.000 3.684 3.138 3.964 . 0 0 "[ . 1 . 2 ]" 1
741 1 56 SER HA 1 57 GLY H 5.000 . 5.000 2.393 2.150 2.895 . 0 0 "[ . 1 . 2 ]" 1
742 1 59 VAL HB 1 60 LYS H 5.000 . 5.000 4.224 3.971 4.390 . 0 0 "[ . 1 . 2 ]" 1
743 1 62 ILE HA 1 77 VAL HA 5.000 . 5.000 2.671 2.381 3.026 . 0 0 "[ . 1 . 2 ]" 1
744 1 71 GLU QB 1 72 PHE H 5.000 . 5.000 3.329 2.075 3.988 . 0 0 "[ . 1 . 2 ]" 1
745 1 76 LEU HA 1 77 VAL H 5.000 . 5.000 3.558 3.535 3.570 . 0 0 "[ . 1 . 2 ]" 1
746 1 77 VAL HA 1 78 VAL H 5.000 . 5.000 2.154 2.140 2.213 . 0 0 "[ . 1 . 2 ]" 1
747 1 77 VAL HB 1 78 VAL H 5.000 . 5.000 4.115 3.797 4.401 . 0 0 "[ . 1 . 2 ]" 1
748 1 78 VAL HB 1 79 ILE H 5.000 . 5.000 3.435 3.098 3.562 . 0 0 "[ . 1 . 2 ]" 1
749 1 79 ILE HA 1 80 GLU H 2.800 . 2.800 2.248 2.171 2.372 . 0 0 "[ . 1 . 2 ]" 1
750 1 40 CYS H 1 52 GLU HA 5.000 . 5.000 4.529 4.235 4.740 . 0 0 "[ . 1 . 2 ]" 1
751 1 16 TYR H 1 42 VAL HA 5.000 . 5.000 4.834 4.369 5.030 0.030 14 0 "[ . 1 . 2 ]" 1
752 1 13 GLY H 1 71 GLU HA 5.000 . 5.000 4.071 3.478 4.598 . 0 0 "[ . 1 . 2 ]" 1
753 1 14 THR HA 1 70 VAL H 5.000 . 5.000 2.483 1.867 3.226 . 0 0 "[ . 1 . 2 ]" 1
754 1 15 PHE H 1 68 GLN H 5.000 . 5.000 4.075 3.597 5.011 0.011 22 0 "[ . 1 . 2 ]" 1
755 1 16 TYR HA 1 68 GLN H 5.000 . 5.000 4.995 4.690 5.063 0.063 1 0 "[ . 1 . 2 ]" 1
756 1 5 HIS H 1 80 GLU HA 5.000 . 5.000 4.005 3.422 4.680 . 0 0 "[ . 1 . 2 ]" 1
757 1 60 LYS H 1 79 ILE HA 5.000 . 5.000 2.423 2.036 2.832 . 0 0 "[ . 1 . 2 ]" 1
758 1 33 VAL H 1 58 THR HA 5.000 . 5.000 3.536 2.919 4.153 . 0 0 "[ . 1 . 2 ]" 1
759 1 32 LYS HA 1 59 VAL H 5.000 . 5.000 3.603 2.432 4.772 . 0 0 "[ . 1 . 2 ]" 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 21
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 3070.721
_Distance_constraint_stats_list.Viol_max 6.323
_Distance_constraint_stats_list.Viol_rms 1.2213
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2764
_Distance_constraint_stats_list.Viol_average_violations_only 1.9634
_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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 VAL 0.437 0.094 7 0 "[ . 1 . 2 ]"
1 14 THR 131.946 6.323 9 23 [********+************-*]
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 THR 1.218 0.168 6 0 "[ . 1 . 2 ]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 ALA 1.144 0.168 6 0 "[ . 1 . 2 ]"
1 24 LYS 0.074 0.050 18 0 "[ . 1 . 2 ]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 PHE 0.346 0.054 20 0 "[ . 1 . 2 ]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 ILE 1.564 0.168 6 0 "[ . 1 . 2 ]"
1 42 VAL 0.437 0.094 7 0 "[ . 1 . 2 ]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ASP 131.508 6.323 9 23 [********+************-*]
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
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 8 ARG QG 1 9 SER QB 5.000 . 5.000 4.095 3.334 4.902 . 0 0 "[ . 1 . 2 ]" 2
2 1 12 VAL QG 1 14 THR HA 5.000 . 5.000 4.911 2.856 5.094 0.094 7 0 "[ . 1 . 2 ]" 2
3 1 16 TYR HA 1 66 SER HA 5.000 . 5.000 2.983 2.515 3.518 . 0 0 "[ . 1 . 2 ]" 2
4 1 19 PRO QB 1 20 SER QB 5.000 . 5.000 3.503 2.993 4.037 . 0 0 "[ . 1 . 2 ]" 2
5 1 18 THR MG 1 23 ALA H 5.000 . 5.000 4.789 3.559 5.168 0.168 6 0 "[ . 1 . 2 ]" 2
6 1 18 THR MG 1 24 LYS H 5.000 . 5.000 4.491 3.119 5.050 0.050 18 0 "[ . 1 . 2 ]" 2
7 1 18 THR HA 1 25 ALA MB 5.000 . 5.000 3.620 2.961 4.502 . 0 0 "[ . 1 . 2 ]" 2
8 1 26 PHE QD 1 41 ILE MG 5.000 . 5.000 4.905 4.565 5.054 0.054 20 0 "[ . 1 . 2 ]" 2
9 1 26 PHE QR 1 41 ILE H 5.000 . 5.000 2.503 1.956 3.147 . 0 0 "[ . 1 . 2 ]" 2
10 1 27 ILE MG 1 32 LYS H 5.000 . 5.000 3.972 2.764 4.520 . 0 0 "[ . 1 . 2 ]" 2
11 1 34 ASN H 1 34 ASN QD 5.000 . 5.000 3.511 2.389 4.089 . 0 0 "[ . 1 . 2 ]" 2
12 1 42 VAL H 1 51 ILE H 5.000 . 5.000 4.058 3.615 4.287 . 0 0 "[ . 1 . 2 ]" 2
13 1 35 VAL QG 1 55 LYS QB 5.000 . 5.000 3.510 2.539 3.938 . 0 0 "[ . 1 . 2 ]" 2
14 1 58 THR H 1 79 ILE MD 5.000 . 5.000 4.393 3.123 4.987 . 0 0 "[ . 1 . 2 ]" 2
15 1 15 PHE QD 1 68 GLN H 5.000 . 5.000 4.229 2.948 4.758 . 0 0 "[ . 1 . 2 ]" 2
16 1 64 VAL QG 1 70 VAL QG 5.000 . 5.000 1.739 1.494 2.077 . 0 0 "[ . 1 . 2 ]" 2
17 1 64 VAL QG 1 70 VAL HB 5.000 . 5.000 3.196 1.797 4.377 . 0 0 "[ . 1 . 2 ]" 2
18 1 70 VAL QG 1 72 PHE H 5.000 . 5.000 2.898 1.833 3.493 . 0 0 "[ . 1 . 2 ]" 2
19 1 14 THR HA 1 73 ASP H 5.000 . 5.000 10.718 9.917 11.323 6.323 9 23 [********+************-*] 2
20 1 8 ARG QB 1 74 GLU H 5.000 . 5.000 2.979 2.194 4.058 . 0 0 "[ . 1 . 2 ]" 2
21 1 9 SER HA 1 74 GLU H 5.000 . 5.000 2.414 1.841 3.426 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 33
_Distance_constraint_stats_list.Viol_count 222
_Distance_constraint_stats_list.Viol_total 133.606
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0262
_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 5 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 VAL 0.140 0.027 7 0 "[ . 1 . 2 ]"
1 9 SER 0.044 0.033 14 0 "[ . 1 . 2 ]"
1 13 GLY 0.352 0.086 14 0 "[ . 1 . 2 ]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 PHE 0.512 0.062 10 0 "[ . 1 . 2 ]"
1 17 ARG 0.060 0.022 10 0 "[ . 1 . 2 ]"
1 20 SER 0.236 0.066 12 0 "[ . 1 . 2 ]"
1 23 ALA 0.236 0.066 12 0 "[ . 1 . 2 ]"
1 26 PHE 0.060 0.022 10 0 "[ . 1 . 2 ]"
1 27 ILE 0.487 0.066 13 0 "[ . 1 . 2 ]"
1 28 GLU 0.158 0.030 13 0 "[ . 1 . 2 ]"
1 30 GLY 0.027 0.017 4 0 "[ . 1 . 2 ]"
1 31 GLN 0.595 0.161 7 0 "[ . 1 . 2 ]"
1 33 VAL 0.765 0.166 19 0 "[ . 1 . 2 ]"
1 34 ASN 0.065 0.034 4 0 "[ . 1 . 2 ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ASP 0.065 0.034 4 0 "[ . 1 . 2 ]"
1 39 LEU 0.487 0.066 13 0 "[ . 1 . 2 ]"
1 40 CYS 0.827 0.086 11 0 "[ . 1 . 2 ]"
1 42 VAL 0.059 0.020 11 0 "[ . 1 . 2 ]"
1 49 ASN 0.059 0.020 11 0 "[ . 1 . 2 ]"
1 51 ILE 0.827 0.086 11 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.765 0.166 19 0 "[ . 1 . 2 ]"
1 58 THR 0.007 0.004 14 0 "[ . 1 . 2 ]"
1 59 VAL 0.464 0.161 7 0 "[ . 1 . 2 ]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ALA 0.544 0.077 13 0 "[ . 1 . 2 ]"
1 63 LEU 0.396 0.060 12 0 "[ . 1 . 2 ]"
1 64 VAL 0.088 0.032 22 0 "[ . 1 . 2 ]"
1 65 GLU 0.606 0.096 22 0 "[ . 1 . 2 ]"
1 67 GLY 0.147 0.050 23 0 "[ . 1 . 2 ]"
1 68 GLN 0.971 0.096 22 0 "[ . 1 . 2 ]"
1 70 VAL 0.352 0.086 14 0 "[ . 1 . 2 ]"
1 73 ASP 0.011 0.008 12 0 "[ . 1 . 2 ]"
1 74 GLU 0.033 0.033 14 0 "[ . 1 . 2 ]"
1 75 PRO 0.484 0.060 12 0 "[ . 1 . 2 ]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 VAL 0.140 0.027 7 0 "[ . 1 . 2 ]"
1 78 VAL 0.544 0.077 13 0 "[ . 1 . 2 ]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 GLU 0.007 0.004 14 0 "[ . 1 . 2 ]"
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 7 VAL H 1 77 VAL O 2.000 . 2.500 2.158 1.763 2.505 0.005 18 0 "[ . 1 . 2 ]" 3
2 1 9 SER H 1 74 GLU O 2.000 . 2.500 1.872 1.495 2.533 0.033 14 0 "[ . 1 . 2 ]" 3
3 1 13 GLY H 1 70 VAL O 2.000 . 2.500 2.385 2.010 2.586 0.086 14 0 "[ . 1 . 2 ]" 3
4 1 14 THR H 1 42 VAL O 2.000 . 2.500 1.883 1.553 2.488 . 0 0 "[ . 1 . 2 ]" 3
5 1 15 PHE H 1 68 GLN O 2.000 . 2.500 2.445 1.964 2.562 0.062 10 0 "[ . 1 . 2 ]" 3
6 1 20 SER O 1 23 ALA H 2.000 . 2.500 2.304 1.494 2.566 0.066 12 0 "[ . 1 . 2 ]" 3
7 1 17 ARG O 1 26 PHE H 2.000 . 2.500 1.987 1.491 2.522 0.022 10 0 "[ . 1 . 2 ]" 3
8 1 27 ILE H 1 39 LEU O 2.000 . 2.500 2.517 2.462 2.566 0.066 13 0 "[ . 1 . 2 ]" 3
9 1 30 GLY H 1 59 VAL O 2.000 . 2.500 2.325 2.106 2.517 0.017 4 0 "[ . 1 . 2 ]" 3
10 1 28 GLU O 1 31 GLN H 2.000 . 2.500 2.471 2.260 2.530 0.030 13 0 "[ . 1 . 2 ]" 3
11 1 33 VAL H 1 57 GLY O 2.000 . 2.500 2.319 1.682 2.666 0.166 19 0 "[ . 1 . 2 ]" 3
12 1 36 GLY H 1 53 ALA O 2.000 . 2.500 2.094 1.673 2.489 . 0 0 "[ . 1 . 2 ]" 3
13 1 34 ASN O 1 37 ASP H 2.000 . 2.500 2.201 1.570 2.534 0.034 4 0 "[ . 1 . 2 ]" 3
14 1 39 LEU H 1 51 ILE O 2.000 . 2.500 1.924 1.541 2.270 . 0 0 "[ . 1 . 2 ]" 3
15 1 40 CYS H 1 51 ILE O 2.000 . 2.500 2.531 2.392 2.586 0.086 11 0 "[ . 1 . 2 ]" 3
16 1 42 VAL H 1 49 ASN O 2.000 . 2.500 2.386 2.070 2.520 0.020 11 0 "[ . 1 . 2 ]" 3
17 1 40 CYS O 1 51 ILE H 2.000 . 2.500 1.879 1.542 2.161 . 0 0 "[ . 1 . 2 ]" 3
18 1 37 ASP O 1 53 ALA H 2.000 . 2.500 2.228 1.699 2.486 . 0 0 "[ . 1 . 2 ]" 3
19 1 33 VAL O 1 57 GLY H 2.000 . 2.500 2.302 1.551 2.620 0.120 7 0 "[ . 1 . 2 ]" 3
20 1 31 GLN O 1 59 VAL H 2.000 . 2.500 2.415 1.981 2.661 0.161 7 0 "[ . 1 . 2 ]" 3
21 1 60 LYS H 1 78 VAL O 2.000 . 2.500 1.698 1.476 1.890 . 0 0 "[ . 1 . 2 ]" 3
22 1 61 ALA H 1 78 VAL O 2.000 . 2.500 2.524 2.503 2.577 0.077 13 0 "[ . 1 . 2 ]" 3
23 1 63 LEU H 1 75 PRO O 2.000 . 2.500 2.511 2.449 2.560 0.060 12 0 "[ . 1 . 2 ]" 3
24 1 64 VAL H 1 75 PRO O 2.000 . 2.500 2.347 1.979 2.532 0.032 22 0 "[ . 1 . 2 ]" 3
25 1 15 PHE O 1 67 GLY H 2.000 . 2.500 2.404 2.116 2.550 0.050 23 0 "[ . 1 . 2 ]" 3
26 1 65 GLU O 1 68 GLN H 2.000 . 2.500 2.526 2.489 2.596 0.096 22 0 "[ . 1 . 2 ]" 3
27 1 13 GLY O 1 70 VAL H 2.000 . 2.500 2.164 1.575 2.531 0.031 10 0 "[ . 1 . 2 ]" 3
28 1 9 SER O 1 73 ASP H 2.000 . 2.500 1.926 1.525 2.508 0.008 12 0 "[ . 1 . 2 ]" 3
29 1 7 VAL O 1 76 LEU H 2.000 . 2.500 1.889 1.707 2.257 . 0 0 "[ . 1 . 2 ]" 3
30 1 7 VAL O 1 77 VAL H 2.000 . 2.500 2.483 2.352 2.527 0.027 7 0 "[ . 1 . 2 ]" 3
31 1 61 ALA O 1 78 VAL H 2.000 . 2.500 2.146 1.918 2.403 . 0 0 "[ . 1 . 2 ]" 3
32 1 5 HIS O 1 79 ILE H 2.000 . 2.500 2.020 1.587 2.449 . 0 0 "[ . 1 . 2 ]" 3
33 1 58 THR O 1 80 GLU H 2.000 . 2.500 1.864 1.468 2.504 0.004 14 0 "[ . 1 . 2 ]" 3
stop_
save_
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