NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605276 |
2n73   |
25791 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n73
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 2377
_Distance_constraint_stats_list.Viol_count 6761
_Distance_constraint_stats_list.Viol_total 17050.557
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0560
_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 2 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 .]"
1 3 GLN 0.148 0.039 18 0 "[ . 1 . 2 . 3 . 4 .]"
1 4 LYS 11.056 0.483 39 0 "[ . 1 . 2 . 3 . 4 .]"
1 5 GLN 0.431 0.137 39 0 "[ . 1 . 2 . 3 . 4 .]"
1 6 GLN 2.503 0.150 37 0 "[ . 1 . 2 . 3 . 4 .]"
1 7 ILE 23.746 0.483 39 0 "[ . 1 . 2 . 3 . 4 .]"
1 8 MET 14.039 0.308 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 9 ALA 0.053 0.053 33 0 "[ . 1 . 2 . 3 . 4 .]"
1 10 ALA 17.861 0.405 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 11 LEU 39.964 0.480 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 12 ASN 2.819 0.151 33 0 "[ . 1 . 2 . 3 . 4 .]"
1 13 SER 11.438 0.480 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 14 GLN 6.906 0.290 43 0 "[ . 1 . 2 . 3 . 4 .]"
1 15 THR 7.739 0.266 34 0 "[ . 1 . 2 . 3 . 4 .]"
1 16 ALA 3.709 0.150 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 17 VAL 8.213 0.162 43 0 "[ . 1 . 2 . 3 . 4 .]"
1 18 GLN 15.865 0.495 37 0 "[ . 1 . 2 . 3 . 4 .]"
1 19 PHE 6.266 0.248 38 0 "[ . 1 . 2 . 3 . 4 .]"
1 20 GLN 5.297 0.165 41 0 "[ . 1 . 2 . 3 . 4 .]"
1 21 GLN 2.069 0.118 17 0 "[ . 1 . 2 . 3 . 4 .]"
1 22 TYR 15.028 0.399 40 0 "[ . 1 . 2 . 3 . 4 .]"
1 23 ALA 3.287 0.167 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 24 ALA 8.418 0.312 32 0 "[ . 1 . 2 . 3 . 4 .]"
1 25 GLN 8.135 0.312 32 0 "[ . 1 . 2 . 3 . 4 .]"
1 26 GLN 14.727 0.262 43 0 "[ . 1 . 2 . 3 . 4 .]"
1 27 TYR 5.040 0.160 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 28 PRO 9.924 0.197 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 .]"
1 30 ASN 7.692 0.132 41 0 "[ . 1 . 2 . 3 . 4 .]"
1 31 TYR 2.956 0.277 42 0 "[ . 1 . 2 . 3 . 4 .]"
1 32 GLU 6.114 0.277 42 0 "[ . 1 . 2 . 3 . 4 .]"
1 33 GLN 11.048 0.243 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 34 GLN 2.334 0.113 38 0 "[ . 1 . 2 . 3 . 4 .]"
1 35 GLN 4.584 0.267 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 36 ILE 15.204 0.243 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 37 LEU 9.416 0.188 43 0 "[ . 1 . 2 . 3 . 4 .]"
1 38 ILE 3.634 0.185 41 0 "[ . 1 . 2 . 3 . 4 .]"
1 39 ARG 5.015 0.152 40 0 "[ . 1 . 2 . 3 . 4 .]"
1 40 GLN 2.646 0.152 39 0 "[ . 1 . 2 . 3 . 4 .]"
1 41 LEU 20.911 0.489 28 0 "[ . 1 . 2 . 3 . 4 .]"
1 42 GLN 0.388 0.112 40 0 "[ . 1 . 2 . 3 . 4 .]"
1 43 GLU 2.153 0.065 43 0 "[ . 1 . 2 . 3 . 4 .]"
1 44 GLN 5.743 0.289 42 0 "[ . 1 . 2 . 3 . 4 .]"
1 45 HIS 1.750 0.136 36 0 "[ . 1 . 2 . 3 . 4 .]"
1 46 TYR 20.441 0.308 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 47 GLN 1.988 0.264 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 48 GLN 4.980 0.341 38 0 "[ . 1 . 2 . 3 . 4 .]"
1 49 TYR 8.884 0.435 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 50 MET 11.985 0.447 35 0 "[ . 1 . 2 . 3 . 4 .]"
1 51 GLN 1.088 0.096 18 0 "[ . 1 . 2 . 3 . 4 .]"
1 52 GLN 7.747 0.487 36 0 "[ . 1 . 2 . 3 . 4 .]"
1 53 LEU 9.559 0.241 36 0 "[ . 1 . 2 . 3 . 4 .]"
1 54 TYR 23.294 0.499 4 0 "[ . 1 . 2 . 3 . 4 .]"
1 55 GLN 3.254 0.173 25 0 "[ . 1 . 2 . 3 . 4 .]"
1 56 VAL 19.427 0.460 22 0 "[ . 1 . 2 . 3 . 4 .]"
1 57 GLN 4.895 0.102 42 0 "[ . 1 . 2 . 3 . 4 .]"
1 58 LEU 32.640 0.499 4 0 "[ . 1 . 2 . 3 . 4 .]"
1 59 ALA 7.124 0.312 32 0 "[ . 1 . 2 . 3 . 4 .]"
1 60 GLN 0.134 0.032 38 0 "[ . 1 . 2 . 3 . 4 .]"
1 61 GLN 4.169 0.364 32 0 "[ . 1 . 2 . 3 . 4 .]"
1 62 GLN 6.275 0.353 45 0 "[ . 1 . 2 . 3 . 4 .]"
1 63 ALA 2.684 0.198 38 0 "[ . 1 . 2 . 3 . 4 .]"
1 64 ALA 0.324 0.080 28 0 "[ . 1 . 2 . 3 . 4 .]"
1 65 LEU 1.424 0.081 41 0 "[ . 1 . 2 . 3 . 4 .]"
1 66 GLN 3.078 0.198 38 0 "[ . 1 . 2 . 3 . 4 .]"
1 67 LYS 0.503 0.120 42 0 "[ . 1 . 2 . 3 . 4 .]"
1 68 GLN 1.185 0.180 44 0 "[ . 1 . 2 . 3 . 4 .]"
1 69 GLN 0.734 0.180 44 0 "[ . 1 . 2 . 3 . 4 .]"
2 3 MET 0.088 0.026 26 0 "[ . 1 . 2 . 3 . 4 .]"
2 4 VAL 0.107 0.026 26 0 "[ . 1 . 2 . 3 . 4 .]"
2 5 GLU 0.153 0.073 3 0 "[ . 1 . 2 . 3 . 4 .]"
2 6 ALA 0.163 0.073 3 0 "[ . 1 . 2 . 3 . 4 .]"
2 7 ARG 0.104 0.030 4 0 "[ . 1 . 2 . 3 . 4 .]"
2 8 SER 0.049 0.015 16 0 "[ . 1 . 2 . 3 . 4 .]"
2 9 LEU 0.150 0.054 42 0 "[ . 1 . 2 . 3 . 4 .]"
2 10 ALA 1.369 0.120 34 0 "[ . 1 . 2 . 3 . 4 .]"
2 11 VAL 2.289 0.136 14 0 "[ . 1 . 2 . 3 . 4 .]"
2 12 ALA 1.047 0.136 14 0 "[ . 1 . 2 . 3 . 4 .]"
2 13 MET 0.451 0.131 34 0 "[ . 1 . 2 . 3 . 4 .]"
2 14 GLY 0.474 0.084 40 0 "[ . 1 . 2 . 3 . 4 .]"
2 15 ASP 3.517 0.462 3 0 "[ . 1 . 2 . 3 . 4 .]"
2 16 THR 3.367 0.246 43 0 "[ . 1 . 2 . 3 . 4 .]"
2 17 VAL 3.457 0.462 3 0 "[ . 1 . 2 . 3 . 4 .]"
2 18 VAL 0.975 0.139 44 0 "[ . 1 . 2 . 3 . 4 .]"
2 19 GLU 1.846 0.214 20 0 "[ . 1 . 2 . 3 . 4 .]"
2 21 ALA 2.515 0.223 28 0 "[ . 1 . 2 . 3 . 4 .]"
2 22 PRO 0.444 0.104 41 0 "[ . 1 . 2 . 3 . 4 .]"
2 23 LEU 3.452 0.240 34 0 "[ . 1 . 2 . 3 . 4 .]"
2 24 LYS 2.645 0.280 43 0 "[ . 1 . 2 . 3 . 4 .]"
2 25 PRO 0.610 0.239 34 0 "[ . 1 . 2 . 3 . 4 .]"
2 26 THR 0.857 0.239 34 0 "[ . 1 . 2 . 3 . 4 .]"
2 27 SER 0.650 0.099 31 0 "[ . 1 . 2 . 3 . 4 .]"
2 28 GLU 0.421 0.099 31 0 "[ . 1 . 2 . 3 . 4 .]"
2 29 PRO 0.300 0.117 42 0 "[ . 1 . 2 . 3 . 4 .]"
2 30 THR 0.293 0.117 42 0 "[ . 1 . 2 . 3 . 4 .]"
2 31 SER 0.204 0.082 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 32 GLY 0.218 0.082 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 33 PRO 0.014 0.008 28 0 "[ . 1 . 2 . 3 . 4 .]"
2 34 PRO 0.207 0.081 29 0 "[ . 1 . 2 . 3 . 4 .]"
2 35 GLY 0.207 0.081 29 0 "[ . 1 . 2 . 3 . 4 .]"
2 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 .]"
2 39 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 .]"
2 40 SER 0.717 0.217 24 0 "[ . 1 . 2 . 3 . 4 .]"
2 41 LEU 2.217 0.324 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 42 LEU 2.045 0.324 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 43 SER 0.982 0.062 36 0 "[ . 1 . 2 . 3 . 4 .]"
2 44 VAL 1.106 0.133 14 0 "[ . 1 . 2 . 3 . 4 .]"
2 45 ILE 3.539 0.133 14 0 "[ . 1 . 2 . 3 . 4 .]"
2 46 THR 12.084 0.419 31 0 "[ . 1 . 2 . 3 . 4 .]"
2 47 GLU 9.114 0.419 31 0 "[ . 1 . 2 . 3 . 4 .]"
2 48 GLY 1.722 0.110 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 49 VAL 1.455 0.110 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 50 GLY 1.138 0.182 19 0 "[ . 1 . 2 . 3 . 4 .]"
2 51 GLU 2.598 0.202 26 0 "[ . 1 . 2 . 3 . 4 .]"
2 52 LEU 3.580 0.286 33 0 "[ . 1 . 2 . 3 . 4 .]"
2 53 SER 4.504 0.286 33 0 "[ . 1 . 2 . 3 . 4 .]"
2 54 VAL 1.987 0.193 28 0 "[ . 1 . 2 . 3 . 4 .]"
2 55 ILE 6.242 0.290 43 0 "[ . 1 . 2 . 3 . 4 .]"
2 56 ASP 0.928 0.149 44 0 "[ . 1 . 2 . 3 . 4 .]"
2 57 PRO 1.535 0.159 38 0 "[ . 1 . 2 . 3 . 4 .]"
2 58 GLU 2.549 0.171 41 0 "[ . 1 . 2 . 3 . 4 .]"
2 59 VAL 7.858 0.487 36 0 "[ . 1 . 2 . 3 . 4 .]"
2 60 ALA 2.790 0.171 41 0 "[ . 1 . 2 . 3 . 4 .]"
2 61 GLN 1.464 0.123 31 0 "[ . 1 . 2 . 3 . 4 .]"
2 62 LYS 0.025 0.025 41 0 "[ . 1 . 2 . 3 . 4 .]"
2 63 ALA 1.690 0.085 39 0 "[ . 1 . 2 . 3 . 4 .]"
2 64 CYS 0.763 0.130 41 0 "[ . 1 . 2 . 3 . 4 .]"
2 65 GLN 0.565 0.123 31 0 "[ . 1 . 2 . 3 . 4 .]"
2 66 GLU 0.027 0.025 44 0 "[ . 1 . 2 . 3 . 4 .]"
2 67 VAL 3.374 0.256 35 0 "[ . 1 . 2 . 3 . 4 .]"
2 68 LEU 35.280 0.495 37 0 "[ . 1 . 2 . 3 . 4 .]"
2 69 GLU 0.187 0.030 33 0 "[ . 1 . 2 . 3 . 4 .]"
2 70 LYS 2.250 0.263 43 0 "[ . 1 . 2 . 3 . 4 .]"
2 71 VAL 8.386 0.429 39 0 "[ . 1 . 2 . 3 . 4 .]"
2 72 LYS 3.528 0.273 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 73 LEU 5.565 0.206 41 0 "[ . 1 . 2 . 3 . 4 .]"
2 74 LEU 9.943 0.492 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 75 HIS 15.727 0.492 45 0 "[ . 1 . 2 . 3 . 4 .]"
2 76 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 .]"
2 77 GLY 2.008 0.366 39 0 "[ . 1 . 2 . 3 . 4 .]"
2 78 VAL 3.259 0.366 39 0 "[ . 1 . 2 . 3 . 4 .]"
2 79 ALA 2.063 0.192 38 0 "[ . 1 . 2 . 3 . 4 .]"
2 80 VAL 0.341 0.063 32 0 "[ . 1 . 2 . 3 . 4 .]"
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 2 GLN QB 1 3 GLN H 4.050 . 4.050 3.338 2.504 3.999 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2 1 2 GLN HB2 1 3 GLN H 4.650 . 4.650 3.852 2.628 4.442 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
3 1 2 GLN HB3 1 3 GLN H 4.650 . 4.650 3.882 2.537 4.539 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
4 1 2 GLN QG 1 3 GLN H 5.080 . 5.080 3.997 2.436 4.921 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
5 1 3 GLN H 1 3 GLN QG 5.100 . 5.100 2.337 1.986 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
6 1 3 GLN HA 1 3 GLN QG 3.700 . 3.700 2.775 2.348 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
7 1 3 GLN HA 1 6 GLN H 4.520 . 4.520 3.785 3.384 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
8 1 3 GLN HA 1 6 GLN QG 4.550 . 4.550 3.224 2.605 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
9 1 3 GLN HA 1 7 ILE MD 5.500 . 5.500 4.964 4.590 5.383 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
10 1 3 GLN QB 1 4 LYS H 3.730 . 3.730 2.999 2.443 3.752 0.022 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
11 1 3 GLN QB 1 7 ILE MD 4.620 . 4.620 4.142 3.413 4.659 0.039 18 0 "[ . 1 . 2 . 3 . 4 .]" 1
12 1 3 GLN HB2 1 4 LYS H 4.320 . 4.320 3.171 2.494 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
13 1 3 GLN HB3 1 4 LYS H 4.320 . 4.320 3.888 3.498 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
14 1 3 GLN QG 1 4 LYS H 4.700 . 4.700 3.780 2.485 4.630 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
15 1 3 GLN HG2 1 4 LYS H 5.500 . 5.500 4.468 2.565 5.426 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
16 1 3 GLN HG3 1 4 LYS H 5.500 . 5.500 4.215 2.504 5.252 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
17 1 4 LYS H 1 4 LYS HB2 3.870 . 3.870 2.662 2.457 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
18 1 4 LYS H 1 4 LYS HB3 3.870 . 3.870 2.376 2.253 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
19 1 4 LYS H 1 4 LYS QD 4.580 . 4.580 4.405 4.309 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
20 1 4 LYS H 1 4 LYS HG2 4.790 . 4.790 4.399 4.231 4.522 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
21 1 4 LYS H 1 4 LYS HG3 4.790 . 4.790 4.552 4.445 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
22 1 4 LYS H 1 5 GLN H 3.880 . 3.880 2.663 2.321 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
23 1 4 LYS H 1 5 GLN QG 5.500 . 5.500 4.195 3.764 5.154 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
24 1 4 LYS HA 1 4 LYS QD 4.230 . 4.230 4.045 3.979 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
25 1 4 LYS HA 1 4 LYS QG 3.080 . 3.080 2.591 2.456 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
26 1 4 LYS HA 1 7 ILE H 4.290 . 4.290 3.460 3.279 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
27 1 4 LYS HA 1 7 ILE HB 4.230 . 4.230 3.085 2.768 3.332 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
28 1 4 LYS HA 1 7 ILE MD 3.880 . 3.880 4.110 3.944 4.363 0.483 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
29 1 4 LYS HA 1 7 ILE HG12 4.230 . 4.230 2.613 2.392 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
30 1 4 LYS HA 1 46 TYR QE 4.060 . 4.060 3.265 2.738 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
31 1 4 LYS QB 1 4 LYS QE 4.170 . 4.170 3.564 3.523 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
32 1 4 LYS QB 1 5 GLN H 3.690 . 3.690 2.831 2.696 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
33 1 4 LYS HB2 1 4 LYS QD 3.690 . 3.690 2.393 2.293 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
34 1 4 LYS HB2 1 5 GLN H 4.330 . 4.330 4.125 3.997 4.218 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
35 1 4 LYS HB3 1 4 LYS QD 3.690 . 3.690 2.467 2.370 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
36 1 4 LYS HB3 1 5 GLN H 4.330 . 4.330 2.884 2.740 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
37 1 4 LYS QD 1 5 GLN QG 5.090 . 5.090 4.762 4.249 5.227 0.137 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
38 1 4 LYS QD 1 46 TYR QE 4.320 . 4.320 3.173 2.633 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
39 1 4 LYS QE 1 4 LYS QG 2.980 . 2.980 2.133 2.092 2.288 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
40 1 4 LYS QE 1 8 MET ME 3.240 . 3.240 3.073 2.697 3.263 0.023 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
41 1 4 LYS QE 1 46 TYR QD 4.180 . 4.180 3.013 2.760 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
42 1 4 LYS QE 1 46 TYR QE 3.930 . 3.930 2.948 2.651 3.303 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
43 1 4 LYS HE2 1 4 LYS HG2 4.100 . 4.100 2.505 2.393 2.966 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
44 1 4 LYS HE2 1 4 LYS HG3 4.100 . 4.100 3.075 2.392 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
45 1 4 LYS HE2 1 8 MET ME 3.820 . 3.820 3.403 2.814 3.647 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
46 1 4 LYS HE2 1 46 TYR QD 5.020 . 5.020 4.388 3.154 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
47 1 4 LYS HE2 1 46 TYR QE 4.660 . 4.660 4.427 3.298 4.756 0.096 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
48 1 4 LYS HE3 1 4 LYS HG2 4.100 . 4.100 3.042 2.914 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
49 1 4 LYS HE3 1 4 LYS HG3 4.100 . 4.100 2.556 2.418 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
50 1 4 LYS HE3 1 8 MET ME 3.820 . 3.820 3.539 2.896 3.922 0.102 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
51 1 4 LYS HE3 1 46 TYR QD 5.020 . 5.020 3.093 2.794 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
52 1 4 LYS HE3 1 46 TYR QE 4.660 . 4.660 3.008 2.677 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
53 1 4 LYS QG 1 5 GLN H 5.070 . 5.070 3.645 3.377 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
54 1 4 LYS QG 1 7 ILE HB 4.540 . 4.540 3.511 3.202 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
55 1 4 LYS QG 1 8 MET H 4.300 . 4.300 3.711 3.568 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
56 1 4 LYS QG 1 8 MET ME 4.490 . 4.490 4.085 3.824 4.240 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
57 1 4 LYS HG2 1 5 GLN HA 5.500 . 5.500 3.478 3.206 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
58 1 4 LYS HG3 1 5 GLN HA 5.500 . 5.500 4.838 4.508 5.274 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
59 1 5 GLN H 1 5 GLN HB2 3.760 . 3.760 2.478 2.195 2.664 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
60 1 5 GLN H 1 5 GLN QB 3.110 . 3.110 2.436 2.174 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
61 1 5 GLN H 1 5 GLN HB3 3.760 . 3.760 3.603 3.512 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
62 1 5 GLN H 1 5 GLN QG 3.040 . 3.040 2.273 2.017 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
63 1 5 GLN H 1 6 GLN H 3.530 . 3.530 2.840 2.678 2.923 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
64 1 5 GLN HA 1 5 GLN QG 3.780 . 3.780 2.667 2.287 3.148 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
65 1 5 GLN HA 1 7 ILE H 4.300 . 4.300 4.230 4.116 4.342 0.042 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
66 1 5 GLN HA 1 8 MET H 4.500 . 4.500 3.449 3.238 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
67 1 5 GLN QB 1 6 GLN H 3.330 . 3.330 2.606 2.414 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
68 1 5 GLN HB2 1 6 GLN H 3.800 . 3.800 2.677 2.467 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
69 1 5 GLN HB3 1 6 GLN H 3.800 . 3.800 3.617 3.234 3.831 0.031 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
70 1 6 GLN H 1 6 GLN HB3 3.230 . 3.230 2.527 2.212 2.803 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
71 1 6 GLN H 1 6 GLN QG 3.890 . 3.890 2.350 1.939 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
72 1 6 GLN H 1 7 ILE H 3.530 . 3.530 2.652 2.507 2.765 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
73 1 6 GLN H 1 7 ILE HA 5.500 . 5.500 5.282 5.161 5.378 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
74 1 6 GLN H 1 7 ILE HB 5.230 . 5.230 5.085 4.883 5.230 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
75 1 6 GLN H 1 7 ILE MD 4.820 . 4.820 4.739 4.521 4.953 0.133 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
76 1 6 GLN H 1 9 ALA MB 5.390 . 5.390 4.788 4.639 4.960 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
77 1 6 GLN HA 1 7 ILE HA 4.970 . 4.970 4.778 4.747 4.823 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
78 1 6 GLN HA 1 9 ALA H 4.040 . 4.040 3.408 3.199 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
79 1 6 GLN HA 1 9 ALA MB 3.680 . 3.680 2.606 2.369 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
80 1 6 GLN HA 1 10 ALA H 4.670 . 4.670 4.141 3.968 4.292 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
81 1 6 GLN HB2 1 7 ILE HA 5.080 . 5.080 4.772 4.473 5.091 0.011 21 0 "[ . 1 . 2 . 3 . 4 .]" 1
82 1 6 GLN HB2 1 9 ALA MB 4.960 . 4.960 4.188 3.874 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
83 1 6 GLN HB2 2 55 ILE MG 5.500 . 5.500 5.493 5.116 5.650 0.150 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
84 1 6 GLN HB3 1 7 ILE H 4.310 . 4.310 4.046 3.731 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
85 1 6 GLN QG 1 7 ILE H 3.530 . 3.530 2.351 2.220 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
86 1 6 GLN QG 1 7 ILE HA 4.840 . 4.840 3.448 3.154 3.767 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
87 1 6 GLN QG 1 7 ILE MD 3.540 . 3.540 2.401 2.245 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
88 1 6 GLN QG 1 8 MET H 4.700 . 4.700 4.689 4.593 4.781 0.081 23 0 "[ . 1 . 2 . 3 . 4 .]" 1
89 1 7 ILE H 1 7 ILE HB 3.390 . 3.390 2.669 2.587 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
90 1 7 ILE H 1 7 ILE MD 3.310 . 3.310 2.994 2.844 3.226 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
91 1 7 ILE H 1 7 ILE HG12 3.580 . 3.580 2.042 1.955 2.157 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
92 1 7 ILE H 1 7 ILE HG13 4.020 . 4.020 3.582 3.482 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
93 1 7 ILE H 1 7 ILE MG 3.770 . 3.770 3.820 3.788 3.851 0.081 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
94 1 7 ILE H 1 8 MET H 3.620 . 3.620 2.659 2.548 2.738 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
95 1 7 ILE H 1 9 ALA H 4.530 . 4.530 4.045 3.949 4.164 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
96 1 7 ILE H 1 9 ALA MB 5.500 . 5.500 4.779 4.692 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
97 1 7 ILE H 1 10 ALA MB 5.500 . 5.500 4.867 4.682 5.033 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
98 1 7 ILE H 1 46 TYR QE 5.090 . 5.090 4.763 4.504 5.113 0.023 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
99 1 7 ILE HA 1 7 ILE MD 3.290 . 3.290 2.266 2.198 2.320 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
100 1 7 ILE HA 1 7 ILE HG12 3.760 . 3.760 3.299 3.217 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
101 1 7 ILE HA 1 7 ILE HG13 3.800 . 3.800 3.838 3.813 3.860 0.060 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
102 1 7 ILE HA 1 7 ILE MG 3.130 . 3.130 2.344 2.294 2.426 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
103 1 7 ILE HA 1 9 ALA H 5.080 . 5.080 4.450 4.231 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
104 1 7 ILE HA 1 10 ALA H 4.050 . 4.050 3.437 3.341 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
105 1 7 ILE HA 1 10 ALA HA 5.500 . 5.500 5.553 5.475 5.622 0.122 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
106 1 7 ILE HA 1 10 ALA MB 3.430 . 3.430 2.787 2.634 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
107 1 7 ILE HA 1 11 LEU MD1 5.010 . 5.010 4.872 4.756 5.003 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
108 1 7 ILE HA 1 11 LEU MD2 5.360 . 5.360 4.485 4.317 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
109 1 7 ILE HA 2 54 VAL QG 3.980 . 3.980 3.297 2.711 4.123 0.143 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
110 1 7 ILE HA 2 55 ILE MD 4.930 . 4.930 4.702 4.398 4.966 0.036 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
111 1 7 ILE HA 2 55 ILE MG 3.580 . 3.580 2.555 2.390 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
112 1 7 ILE HB 1 7 ILE MD 3.340 . 3.340 3.275 3.244 3.314 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
113 1 7 ILE HB 1 8 MET H 3.700 . 3.700 2.328 2.271 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
114 1 7 ILE HB 1 10 ALA H 5.500 . 5.500 5.385 5.321 5.472 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
115 1 7 ILE HB 1 46 TYR QD 4.280 . 4.280 3.118 2.917 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
116 1 7 ILE HB 1 46 TYR QE 3.660 . 3.660 2.361 2.127 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
117 1 7 ILE HB 2 55 ILE MG 5.170 . 5.170 4.467 4.347 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
118 1 7 ILE MD 1 8 MET H 4.660 . 4.660 4.574 4.497 4.689 0.029 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
119 1 7 ILE MD 1 10 ALA MB 3.930 . 3.930 3.970 3.803 4.097 0.167 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
120 1 7 ILE MD 1 11 LEU MD2 4.750 . 4.750 4.736 4.547 4.882 0.132 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
121 1 7 ILE MD 1 46 TYR QE 4.070 . 4.070 4.082 3.952 4.209 0.139 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
122 1 7 ILE MD 1 49 TYR QD 5.500 . 5.500 4.840 4.496 5.134 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
123 1 7 ILE MD 1 49 TYR QE 3.680 . 3.680 3.170 2.725 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
124 1 7 ILE MD 1 50 MET ME 3.650 . 3.650 3.147 2.322 3.438 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
125 1 7 ILE MD 2 55 ILE MG 3.350 . 3.350 2.462 2.208 2.725 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
126 1 7 ILE HG12 1 7 ILE MG 3.390 . 3.390 3.222 3.177 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
127 1 7 ILE HG12 1 8 MET H 4.430 . 4.430 3.866 3.774 3.993 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
128 1 7 ILE HG12 1 46 TYR QE 5.030 . 5.030 3.702 3.405 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
129 1 7 ILE HG13 1 7 ILE MG 3.150 . 3.150 2.309 2.247 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
130 1 7 ILE HG13 1 46 TYR QE 3.770 . 3.770 2.634 2.446 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
131 1 7 ILE HG13 1 50 MET ME 3.830 . 3.830 2.837 2.414 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
132 1 7 ILE MG 1 8 MET H 3.600 . 3.600 3.454 3.302 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
133 1 7 ILE MG 1 8 MET HA 3.650 . 3.650 3.424 3.170 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
134 1 7 ILE MG 1 9 ALA H 5.440 . 5.440 5.061 4.841 5.234 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
135 1 7 ILE MG 1 10 ALA H 4.650 . 4.650 4.578 4.486 4.662 0.012 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
136 1 7 ILE MG 1 10 ALA MB 3.820 . 3.820 3.625 3.556 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
137 1 7 ILE MG 1 11 LEU H 4.150 . 4.150 3.854 3.773 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
138 1 7 ILE MG 1 11 LEU MD1 2.960 . 2.960 2.376 2.200 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
139 1 7 ILE MG 1 11 LEU MD2 3.440 . 3.440 2.873 2.655 3.044 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
140 1 7 ILE MG 1 11 LEU HG 3.360 . 3.360 2.262 2.143 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
141 1 7 ILE MG 1 46 TYR HB2 5.160 . 5.160 4.270 4.010 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
142 1 7 ILE MG 1 46 TYR HB3 5.420 . 5.420 5.450 5.233 5.552 0.132 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
143 1 7 ILE MG 1 46 TYR QD 3.170 . 3.170 2.303 2.194 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
144 1 7 ILE MG 1 46 TYR QE 3.100 . 3.100 2.268 2.170 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
145 1 7 ILE MG 1 49 TYR QD 3.810 . 3.810 2.694 2.478 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
146 1 7 ILE MG 1 49 TYR QE 3.420 . 3.420 2.254 2.076 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
147 1 7 ILE MG 1 50 MET ME 3.080 . 3.080 2.550 2.299 2.741 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
148 1 7 ILE MG 2 55 ILE MD 4.310 . 4.310 4.109 3.830 4.320 0.010 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
149 1 7 ILE MG 2 55 ILE MG 2.980 . 2.980 2.162 2.008 2.401 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
150 1 8 MET H 1 8 MET HB2 3.900 . 3.900 2.534 2.456 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
151 1 8 MET H 1 8 MET QB 3.390 . 3.390 2.487 2.416 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
152 1 8 MET H 1 8 MET HB3 3.900 . 3.900 3.615 3.585 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
153 1 8 MET H 1 8 MET ME 4.630 . 4.630 4.719 4.479 4.864 0.234 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
154 1 8 MET H 1 8 MET HG2 4.030 . 4.030 3.057 2.141 3.358 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
155 1 8 MET H 1 8 MET QG 3.480 . 3.480 2.232 2.093 2.363 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
156 1 8 MET H 1 8 MET HG3 4.030 . 4.030 2.420 2.127 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
157 1 8 MET H 1 9 ALA H 3.480 . 3.480 2.784 2.697 2.862 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
158 1 8 MET H 1 9 ALA MB 4.730 . 4.730 4.453 4.399 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
159 1 8 MET H 1 10 ALA H 4.770 . 4.770 4.234 4.127 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
160 1 8 MET H 1 10 ALA MB 5.460 . 5.460 5.003 4.829 5.150 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
161 1 8 MET H 1 11 LEU MD1 4.770 . 4.770 4.641 4.375 4.787 0.017 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
162 1 8 MET H 1 46 TYR QE 4.890 . 4.890 4.278 3.878 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
163 1 8 MET HA 1 8 MET ME 3.680 . 3.680 3.450 2.809 3.711 0.031 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
164 1 8 MET HA 1 8 MET HG2 3.960 . 3.960 2.463 2.288 3.382 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
165 1 8 MET HA 1 8 MET HG3 3.960 . 3.960 3.312 3.116 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
166 1 8 MET HA 1 11 LEU H 4.540 . 4.540 3.339 3.126 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
167 1 8 MET HA 1 11 LEU HB2 4.510 . 4.510 2.568 2.394 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
168 1 8 MET HA 1 11 LEU MD1 3.500 . 3.500 2.820 2.485 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
169 1 8 MET HA 1 11 LEU MD2 4.710 . 4.710 4.559 4.259 4.821 0.111 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
170 1 8 MET HA 1 12 ASN H 4.520 . 4.520 3.831 3.690 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
171 1 8 MET HA 1 46 TYR QD 4.430 . 4.430 3.543 3.062 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
172 1 8 MET QB 1 9 ALA H 3.430 . 3.430 2.706 2.395 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
173 1 8 MET QB 1 10 ALA H 5.230 . 5.230 4.770 4.607 4.891 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
174 1 8 MET HB2 1 9 ALA H 3.920 . 3.920 2.773 2.431 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
175 1 8 MET HB3 1 9 ALA H 3.920 . 3.920 3.774 3.594 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
176 1 8 MET ME 1 8 MET QG 3.030 . 3.030 2.271 2.184 2.448 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
177 1 8 MET ME 1 11 LEU MD1 3.920 . 3.920 3.785 3.221 4.156 0.236 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
178 1 8 MET ME 1 12 ASN QD 4.190 . 4.190 3.529 2.866 4.261 0.071 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
179 1 8 MET ME 1 42 GLN HA 4.700 . 4.700 4.311 3.945 4.737 0.037 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
180 1 8 MET ME 1 42 GLN QB 3.610 . 3.610 2.792 2.270 3.193 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
181 1 8 MET ME 1 43 GLU H 4.230 . 4.230 3.977 3.711 4.239 0.009 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
182 1 8 MET ME 1 43 GLU HA 3.020 . 3.020 2.409 2.146 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
183 1 8 MET ME 1 43 GLU HB2 3.810 . 3.810 3.502 2.900 3.860 0.050 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
184 1 8 MET ME 1 44 GLN H 5.340 . 5.340 5.243 5.033 5.371 0.031 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
185 1 8 MET ME 1 46 TYR H 3.870 . 3.870 3.658 3.484 3.882 0.012 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
186 1 8 MET ME 1 46 TYR HA 4.780 . 4.780 4.444 4.284 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
187 1 8 MET ME 1 46 TYR HB2 3.710 . 3.710 2.313 2.112 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
188 1 8 MET ME 1 46 TYR HB3 3.640 . 3.640 2.487 2.285 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
189 1 8 MET ME 1 46 TYR QD 3.580 . 3.580 3.481 3.367 3.626 0.046 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
190 1 8 MET ME 1 46 TYR QE 4.700 . 4.700 4.817 4.720 5.008 0.308 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
191 1 8 MET ME 1 47 GLN H 4.660 . 4.660 4.700 4.526 4.924 0.264 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
192 1 8 MET QG 1 9 ALA H 4.880 . 4.880 4.129 3.863 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
193 1 8 MET QG 1 46 TYR QD 4.400 . 4.400 2.790 2.307 4.411 0.011 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
194 1 9 ALA H 1 9 ALA MB 2.630 . 2.630 2.234 2.193 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
195 1 9 ALA H 1 10 ALA H 3.300 . 3.300 2.708 2.574 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
196 1 9 ALA HA 1 11 LEU H 5.250 . 5.250 4.536 4.426 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
197 1 9 ALA HA 1 12 ASN H 4.080 . 4.080 3.531 3.370 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
198 1 9 ALA HA 1 12 ASN HB2 4.910 . 4.910 2.651 2.302 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
199 1 9 ALA HA 1 12 ASN QB 4.230 . 4.230 2.624 2.279 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
200 1 9 ALA HA 1 12 ASN HB3 4.910 . 4.910 4.204 3.663 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
201 1 9 ALA HA 1 12 ASN QD 5.210 . 5.210 3.668 2.551 4.811 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
202 1 9 ALA MB 1 10 ALA H 2.840 . 2.840 2.606 2.514 2.722 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
203 1 9 ALA MB 1 11 LEU H 4.900 . 4.900 4.556 4.465 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
204 1 9 ALA MB 1 12 ASN H 5.360 . 5.360 4.640 4.494 4.810 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
205 1 9 ALA MB 1 12 ASN QB 4.960 . 4.960 4.026 3.714 4.228 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
206 1 9 ALA MB 1 13 SER QB 5.460 . 5.460 4.943 4.266 5.513 0.053 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
207 1 10 ALA H 1 10 ALA MB 2.720 . 2.720 2.205 2.159 2.262 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
208 1 10 ALA H 1 11 LEU H 3.360 . 3.360 2.538 2.482 2.615 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
209 1 10 ALA H 1 11 LEU HA 5.240 . 5.240 5.218 5.169 5.289 0.049 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
210 1 10 ALA H 1 11 LEU HB2 5.500 . 5.500 4.708 4.562 4.937 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
211 1 10 ALA H 1 11 LEU MD1 5.500 . 5.500 5.523 5.280 5.592 0.092 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
212 1 10 ALA H 1 11 LEU MD2 4.800 . 4.800 4.942 4.839 5.205 0.405 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
213 1 10 ALA H 1 11 LEU HG 4.440 . 4.440 4.420 4.319 4.472 0.032 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
214 1 10 ALA H 1 12 ASN H 4.380 . 4.380 3.977 3.857 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
215 1 10 ALA H 1 13 SER H 4.990 . 4.990 4.718 4.599 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
216 1 10 ALA H 2 54 VAL QG 4.880 . 4.880 3.996 3.623 4.665 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
217 1 10 ALA H 2 55 ILE MD 4.830 . 4.830 4.633 4.428 4.856 0.026 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
218 1 10 ALA H 2 55 ILE MG 4.440 . 4.440 3.984 3.898 4.116 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
219 1 10 ALA HA 1 13 SER H 3.770 . 3.770 3.369 3.148 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
220 1 10 ALA HA 1 13 SER QB 4.160 . 4.160 2.868 2.627 3.254 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
221 1 10 ALA HA 2 54 VAL QG 4.880 . 4.880 4.233 3.704 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
222 1 10 ALA HA 2 55 ILE MG 4.490 . 4.490 4.477 4.384 4.548 0.058 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
223 1 10 ALA MB 1 11 LEU H 3.240 . 3.240 2.532 2.433 2.614 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
224 1 10 ALA MB 1 11 LEU HA 4.560 . 4.560 3.890 3.812 3.942 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
225 1 10 ALA MB 1 11 LEU MD2 3.250 . 3.250 3.334 3.208 3.651 0.401 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
226 1 10 ALA MB 1 12 ASN H 5.500 . 5.500 4.469 4.388 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
227 1 10 ALA MB 1 13 SER H 5.120 . 5.120 4.497 4.376 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
228 1 10 ALA MB 1 13 SER QB 5.500 . 5.500 3.967 3.770 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
229 1 10 ALA MB 2 54 VAL H 3.700 . 3.700 2.977 2.104 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
230 1 10 ALA MB 2 54 VAL QG 2.690 . 2.690 2.216 2.040 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
231 1 10 ALA MB 2 55 ILE H 4.020 . 4.020 3.695 2.416 4.037 0.017 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
232 1 10 ALA MB 2 55 ILE MD 2.830 . 2.830 2.247 1.964 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
233 1 10 ALA MB 2 55 ILE QG 3.350 . 3.350 2.363 2.077 3.559 0.209 29 0 "[ . 1 . 2 . 3 . 4 .]" 1
234 1 10 ALA MB 2 55 ILE MG 2.910 . 2.910 1.998 1.946 2.065 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
235 1 11 LEU H 1 11 LEU MD1 3.980 . 3.980 3.818 3.694 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
236 1 11 LEU H 1 11 LEU MD2 3.620 . 3.620 3.073 2.999 3.309 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
237 1 11 LEU H 1 11 LEU HG 4.130 . 4.130 2.434 2.317 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
238 1 11 LEU H 1 12 ASN H 3.620 . 3.620 2.602 2.557 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
239 1 11 LEU H 1 13 SER H 4.580 . 4.580 4.036 3.951 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
240 1 11 LEU H 1 13 SER QB 5.500 . 5.500 4.997 4.763 5.307 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
241 1 11 LEU H 2 55 ILE MD 4.390 . 4.390 3.450 3.142 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
242 1 11 LEU H 2 55 ILE MG 4.150 . 4.150 3.544 3.252 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
243 1 11 LEU HA 1 11 LEU MD1 4.050 . 4.050 3.783 3.699 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
244 1 11 LEU HA 1 11 LEU MD2 2.980 . 2.980 2.088 1.989 2.161 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
245 1 11 LEU HA 1 14 GLN H 4.260 . 4.260 3.594 3.418 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
246 1 11 LEU HA 1 14 GLN HG2 4.140 . 4.140 2.616 2.335 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
247 1 11 LEU HA 1 15 THR MG 4.140 . 4.140 3.792 3.575 4.058 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
248 1 11 LEU HA 1 45 HIS HE1 4.660 . 4.660 3.117 2.843 3.364 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
249 1 11 LEU HA 2 55 ILE MD 3.600 . 3.600 2.797 2.472 3.056 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
250 1 11 LEU HA 2 55 ILE MG 4.690 . 4.690 4.226 3.836 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
251 1 11 LEU HA 2 60 ALA MB 5.000 . 5.000 3.691 3.475 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
252 1 11 LEU HB2 1 11 LEU MD1 3.400 . 3.400 2.372 2.292 2.409 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
253 1 11 LEU HB2 1 11 LEU MD2 3.560 . 3.560 3.203 3.171 3.252 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
254 1 11 LEU HB2 1 12 ASN H 4.090 . 4.090 2.576 2.481 2.741 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
255 1 11 LEU HB3 1 11 LEU MD1 3.480 . 3.480 2.258 2.198 2.376 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
256 1 11 LEU HB3 1 11 LEU MD2 3.480 . 3.480 2.505 2.376 2.571 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
257 1 11 LEU HB3 1 12 ASN H 4.390 . 4.390 3.614 3.496 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
258 1 11 LEU HB3 1 15 THR MG 4.720 . 4.720 3.870 3.494 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
259 1 11 LEU HB3 1 45 HIS HE1 5.110 . 5.110 2.784 2.446 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
260 1 11 LEU HB3 2 55 ILE MD 5.170 . 5.170 4.564 4.307 4.904 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
261 1 11 LEU MD1 1 12 ASN H 4.540 . 4.540 4.566 4.432 4.691 0.151 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
262 1 11 LEU MD1 1 45 HIS HB3 4.360 . 4.360 3.441 3.011 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
263 1 11 LEU MD1 1 45 HIS HE1 4.240 . 4.240 3.656 3.223 3.997 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
264 1 11 LEU MD1 1 46 TYR H 4.020 . 4.020 3.371 3.132 3.563 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
265 1 11 LEU MD1 1 46 TYR HA 3.230 . 3.230 2.088 2.013 2.189 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
266 1 11 LEU MD1 1 46 TYR HB2 4.150 . 4.150 2.465 2.269 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
267 1 11 LEU MD1 1 46 TYR HB3 4.030 . 4.030 3.835 3.650 4.035 0.005 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
268 1 11 LEU MD1 1 46 TYR QD 3.330 . 3.330 2.377 2.240 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
269 1 11 LEU MD1 1 46 TYR QE 4.160 . 4.160 4.144 3.905 4.345 0.185 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
270 1 11 LEU MD1 1 47 GLN H 5.170 . 5.170 4.846 4.753 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
271 1 11 LEU MD1 1 49 TYR H 4.830 . 4.830 4.182 3.972 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
272 1 11 LEU MD1 1 49 TYR HA 5.500 . 5.500 4.978 4.642 5.401 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
273 1 11 LEU MD1 1 49 TYR HB2 3.970 . 3.970 3.127 2.738 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
274 1 11 LEU MD1 1 49 TYR QB 3.460 . 3.460 2.526 2.265 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
275 1 11 LEU MD1 1 49 TYR HB3 3.970 . 3.970 2.670 2.415 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
276 1 11 LEU MD1 1 49 TYR QD 3.710 . 3.710 2.504 2.155 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
277 1 11 LEU MD1 1 49 TYR QE 4.040 . 4.040 3.891 3.644 4.150 0.110 13 0 "[ . 1 . 2 . 3 . 4 .]" 1
278 1 11 LEU MD1 1 50 MET H 4.860 . 4.860 4.414 4.242 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
279 1 11 LEU MD1 1 50 MET ME 4.550 . 4.550 4.305 4.136 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
280 1 11 LEU MD1 2 55 ILE MG 4.230 . 4.230 3.997 3.718 4.298 0.068 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
281 1 11 LEU MD1 2 60 ALA HA 5.050 . 5.050 4.658 4.233 5.048 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
282 1 11 LEU MD1 2 60 ALA MB 4.320 . 4.320 3.815 3.543 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
283 1 11 LEU MD1 2 63 ALA MB 4.900 . 4.900 4.373 4.030 4.666 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
284 1 11 LEU MD2 1 12 ASN H 4.540 . 4.540 4.559 4.504 4.668 0.128 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
285 1 11 LEU MD2 1 13 SER H 5.500 . 5.500 5.517 5.439 5.623 0.123 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
286 1 11 LEU MD2 1 13 SER QB 5.500 . 5.500 5.722 5.589 5.980 0.480 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
287 1 11 LEU MD2 1 14 GLN H 4.980 . 4.980 4.997 4.845 5.141 0.161 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
288 1 11 LEU MD2 1 14 GLN HE22 5.090 . 5.090 4.703 4.357 5.213 0.123 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
289 1 11 LEU MD2 1 14 GLN HG2 3.830 . 3.830 3.560 3.270 3.799 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
290 1 11 LEU MD2 1 14 GLN HG3 4.590 . 4.590 4.084 3.821 4.617 0.027 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
291 1 11 LEU MD2 1 15 THR MG 3.990 . 3.990 4.065 3.841 4.256 0.266 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
292 1 11 LEU MD2 1 45 HIS HD2 5.500 . 5.500 4.382 4.078 4.770 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
293 1 11 LEU MD2 1 45 HIS HE1 3.290 . 3.290 2.684 2.384 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
294 1 11 LEU MD2 1 46 TYR HA 4.260 . 4.260 4.155 3.880 4.315 0.055 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
295 1 11 LEU MD2 1 46 TYR QD 4.430 . 4.430 4.412 4.219 4.674 0.244 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
296 1 11 LEU MD2 1 46 TYR QE 5.500 . 5.500 5.585 5.478 5.743 0.243 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
297 1 11 LEU MD2 1 49 TYR HB2 4.390 . 4.390 3.385 3.019 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
298 1 11 LEU MD2 1 49 TYR QB 3.760 . 3.760 3.117 2.843 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
299 1 11 LEU MD2 1 49 TYR HB3 4.390 . 4.390 3.653 3.426 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
300 1 11 LEU MD2 1 49 TYR QD 3.710 . 3.710 3.045 2.720 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
301 1 11 LEU MD2 1 49 TYR QE 3.870 . 3.870 3.340 3.113 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
302 1 11 LEU MD2 1 50 MET ME 5.140 . 5.140 4.852 4.598 5.141 0.001 18 0 "[ . 1 . 2 . 3 . 4 .]" 1
303 1 11 LEU MD2 2 55 ILE HA 5.500 . 5.500 5.098 4.677 5.550 0.050 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
304 1 11 LEU MD2 2 55 ILE HB 3.780 . 3.780 3.257 2.866 3.795 0.015 21 0 "[ . 1 . 2 . 3 . 4 .]" 1
305 1 11 LEU MD2 2 55 ILE MD 2.980 . 2.980 2.015 1.896 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
306 1 11 LEU MD2 2 55 ILE MG 3.100 . 3.100 2.466 2.167 3.126 0.026 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
307 1 11 LEU MD2 2 60 ALA HA 4.290 . 4.290 3.552 3.096 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
308 1 11 LEU MD2 2 60 ALA MB 3.360 . 3.360 2.142 2.025 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
309 1 11 LEU HG 1 12 ASN H 4.810 . 4.810 4.331 4.249 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
310 1 11 LEU HG 2 55 ILE MD 4.360 . 4.360 3.703 3.296 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
311 1 11 LEU HG 2 55 ILE MG 3.700 . 3.700 3.100 2.728 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
312 1 12 ASN H 1 12 ASN HB2 4.090 . 4.090 2.335 2.070 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
313 1 12 ASN H 1 12 ASN QB 3.580 . 3.580 2.305 2.051 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
314 1 12 ASN H 1 12 ASN HB3 4.090 . 4.090 3.567 3.357 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
315 1 12 ASN H 1 12 ASN HD21 4.900 . 4.900 3.078 2.307 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
316 1 12 ASN H 1 12 ASN QD 4.150 . 4.150 2.962 2.290 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
317 1 12 ASN H 1 12 ASN HD22 4.900 . 4.900 4.125 3.663 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
318 1 12 ASN H 1 13 SER H 3.700 . 3.700 2.636 2.439 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
319 1 12 ASN H 1 14 GLN H 4.870 . 4.870 4.528 4.349 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
320 1 12 ASN H 2 55 ILE MD 5.500 . 5.500 5.131 4.781 5.481 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
321 1 12 ASN HA 1 15 THR H 4.430 . 4.430 3.624 3.392 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
322 1 12 ASN HA 1 15 THR MG 4.580 . 4.580 4.407 4.010 4.603 0.023 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
323 1 12 ASN HA 1 16 ALA H 4.710 . 4.710 4.505 4.187 4.754 0.044 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
324 1 12 ASN HA 1 19 PHE QD 5.010 . 5.010 4.418 3.996 5.039 0.029 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
325 1 12 ASN QB 1 16 ALA MB 4.850 . 4.850 4.049 3.777 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
326 1 12 ASN QB 1 42 GLN QE 4.180 . 4.180 3.258 2.479 4.282 0.102 7 0 "[ . 1 . 2 . 3 . 4 .]" 1
327 1 12 ASN HB2 1 13 SER H 4.330 . 4.330 2.837 2.642 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
328 1 12 ASN HB3 1 13 SER H 4.330 . 4.330 3.559 3.007 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
329 1 13 SER H 1 13 SER QB 2.900 . 2.900 2.355 2.212 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
330 1 13 SER H 1 14 GLN H 3.180 . 3.180 2.858 2.719 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
331 1 13 SER H 1 14 GLN HG2 4.760 . 4.760 4.712 4.495 4.867 0.107 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
332 1 13 SER H 1 16 ALA MB 5.500 . 5.500 4.772 4.625 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
333 1 13 SER HA 1 16 ALA H 4.190 . 4.190 3.812 3.583 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
334 1 13 SER HA 1 16 ALA MB 3.130 . 3.130 2.898 2.572 3.197 0.067 23 0 "[ . 1 . 2 . 3 . 4 .]" 1
335 1 13 SER QB 1 14 GLN H 3.500 . 3.500 2.396 2.272 2.611 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
336 1 13 SER QB 1 15 THR H 4.660 . 4.660 4.457 4.361 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
337 1 13 SER QB 1 16 ALA H 5.400 . 5.400 5.029 4.761 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
338 1 13 SER QB 1 16 ALA MB 4.800 . 4.800 4.537 4.176 4.816 0.016 13 0 "[ . 1 . 2 . 3 . 4 .]" 1
339 1 13 SER QB 2 55 ILE MD 4.960 . 4.960 4.451 4.089 4.875 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
340 1 14 GLN H 1 14 GLN QB 3.110 . 3.110 2.646 2.510 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
341 1 14 GLN H 1 14 GLN HG2 3.510 . 3.510 2.471 2.333 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
342 1 14 GLN H 1 14 GLN HG3 3.570 . 3.570 2.644 2.192 3.457 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
343 1 14 GLN H 1 15 THR H 3.170 . 3.170 2.678 2.550 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
344 1 14 GLN H 1 15 THR HA 5.360 . 5.360 5.304 5.181 5.373 0.013 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
345 1 14 GLN H 1 15 THR MG 4.020 . 4.020 4.067 3.916 4.252 0.232 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
346 1 14 GLN H 1 16 ALA H 4.290 . 4.290 4.211 4.090 4.296 0.006 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
347 1 14 GLN H 1 16 ALA MB 4.930 . 4.930 4.942 4.789 5.072 0.142 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
348 1 14 GLN HA 1 14 GLN HE21 5.350 . 5.350 4.622 4.378 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
349 1 14 GLN HA 1 14 GLN HG2 4.190 . 4.190 3.961 3.851 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
350 1 14 GLN HA 1 14 GLN HG3 3.820 . 3.820 3.656 3.598 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
351 1 14 GLN HA 1 15 THR MG 5.030 . 5.030 4.536 4.394 4.746 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
352 1 14 GLN HA 1 16 ALA H 4.120 . 4.120 3.927 3.668 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
353 1 14 GLN QB 1 14 GLN HE21 3.780 . 3.780 2.286 2.062 3.138 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
354 1 14 GLN QB 1 14 GLN HE22 4.200 . 4.200 3.328 3.216 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
355 1 14 GLN QB 1 15 THR H 4.270 . 4.270 3.820 3.729 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
356 1 14 GLN QB 1 15 THR MG 3.800 . 3.800 3.611 3.329 3.986 0.186 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
357 1 14 GLN QB 1 16 ALA H 5.270 . 5.270 5.020 4.852 5.113 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
358 1 14 GLN QB 2 60 ALA MB 5.240 . 5.240 4.358 4.240 4.666 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
359 1 14 GLN HE21 2 55 ILE MD 4.890 . 4.890 3.500 2.836 4.911 0.021 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
360 1 14 GLN HE21 2 57 PRO HA 4.310 . 4.310 3.379 2.826 4.344 0.034 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
361 1 14 GLN HE21 2 60 ALA MB 4.690 . 4.690 3.266 2.917 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
362 1 14 GLN HE21 2 61 GLN H 5.030 . 5.030 4.576 3.750 5.048 0.018 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
363 1 14 GLN HE21 2 61 GLN HA 5.500 . 5.500 4.809 2.993 5.499 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
364 1 14 GLN HE21 2 61 GLN QB 4.990 . 4.990 4.224 3.083 4.832 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
365 1 14 GLN HE22 1 15 THR MG 5.080 . 5.080 4.439 4.064 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
366 1 14 GLN HE22 2 55 ILE MD 4.660 . 4.660 3.783 3.303 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
367 1 14 GLN HE22 2 57 PRO HA 5.460 . 5.460 2.831 2.403 3.361 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
368 1 14 GLN HE22 2 57 PRO QB 4.560 . 4.560 3.111 2.401 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
369 1 14 GLN HE22 2 60 ALA MB 3.760 . 3.760 2.263 2.098 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
370 1 14 GLN HE22 2 61 GLN QB 4.300 . 4.300 3.133 2.630 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
371 1 14 GLN HG2 1 15 THR H 4.570 . 4.570 3.991 3.044 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
372 1 14 GLN HG2 1 15 THR MG 3.910 . 3.910 3.590 2.906 3.967 0.057 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
373 1 14 GLN HG2 2 55 ILE MD 3.550 . 3.550 2.642 2.325 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
374 1 14 GLN HG2 2 55 ILE MG 5.500 . 5.500 5.237 4.867 5.790 0.290 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
375 1 14 GLN HG3 1 15 THR H 4.260 . 4.260 2.839 2.543 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
376 1 14 GLN HG3 1 15 THR MG 3.890 . 3.890 2.210 2.092 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
377 1 14 GLN HG3 2 55 ILE MD 4.410 . 4.410 3.960 3.625 4.436 0.026 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
378 1 15 THR H 1 15 THR MG 3.250 . 3.250 2.771 2.527 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
379 1 15 THR H 1 16 ALA H 3.140 . 3.140 2.229 2.127 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
380 1 15 THR H 1 16 ALA HA 4.570 . 4.570 4.347 4.177 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
381 1 15 THR H 1 16 ALA MB 3.870 . 3.870 3.849 3.739 4.006 0.136 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
382 1 15 THR H 1 17 VAL H 5.250 . 5.250 5.020 4.800 5.215 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
383 1 15 THR HA 1 15 THR MG 3.010 . 3.010 2.324 2.265 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
384 1 15 THR HA 1 18 GLN H 4.360 . 4.360 3.105 2.883 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
385 1 15 THR HA 1 18 GLN HB2 4.680 . 4.680 2.715 2.441 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
386 1 15 THR HA 1 18 GLN HB3 4.950 . 4.950 4.201 3.969 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
387 1 15 THR HA 1 18 GLN HE21 5.220 . 5.220 3.018 2.063 5.224 0.004 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
388 1 15 THR HA 1 18 GLN QE 4.570 . 4.570 2.864 2.051 4.602 0.032 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
389 1 15 THR HA 1 18 GLN HE22 5.220 . 5.220 4.054 3.504 5.111 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
390 1 15 THR HA 1 18 GLN HG3 4.290 . 4.290 2.362 2.173 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
391 1 15 THR HA 1 19 PHE H 5.210 . 5.210 4.001 3.790 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
392 1 15 THR HB 1 16 ALA H 4.600 . 4.600 4.412 4.327 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
393 1 15 THR HB 1 18 GLN H 5.000 . 5.000 4.307 4.034 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
394 1 15 THR HB 1 18 GLN HB2 5.130 . 5.130 2.711 2.345 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
395 1 15 THR HB 1 19 PHE H 4.750 . 4.750 3.443 3.264 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
396 1 15 THR HB 1 19 PHE QD 4.300 . 4.300 3.428 3.175 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
397 1 15 THR HB 1 19 PHE QE 4.380 . 4.380 3.293 3.093 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
398 1 15 THR HB 1 19 PHE HZ 5.150 . 5.150 3.722 3.384 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
399 1 15 THR HG1 1 16 ALA H 4.910 . 4.910 3.815 3.611 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
400 1 15 THR HG1 1 16 ALA MB 5.500 . 5.500 4.892 4.516 5.365 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
401 1 15 THR MG 1 16 ALA H 4.440 . 4.440 4.263 4.194 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
402 1 15 THR MG 1 16 ALA MB 5.500 . 5.500 5.370 5.312 5.405 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
403 1 15 THR MG 1 18 GLN QE 4.770 . 4.770 2.884 2.127 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
404 1 15 THR MG 1 18 GLN HG3 4.460 . 4.460 3.842 3.491 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
405 1 15 THR MG 1 19 PHE H 5.140 . 5.140 4.829 4.618 5.198 0.058 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
406 1 15 THR MG 1 19 PHE QD 4.820 . 4.820 4.315 4.036 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
407 1 15 THR MG 1 19 PHE QE 4.350 . 4.350 3.370 3.092 3.683 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
408 1 15 THR MG 1 19 PHE HZ 4.000 . 4.000 3.147 2.734 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
409 1 15 THR MG 1 45 HIS HD2 5.500 . 5.500 4.673 4.419 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
410 1 15 THR MG 1 45 HIS HE1 3.320 . 3.320 2.132 1.979 2.377 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
411 1 15 THR MG 2 60 ALA MB 4.180 . 4.180 3.912 3.451 4.183 0.003 27 0 "[ . 1 . 2 . 3 . 4 .]" 1
412 1 15 THR MG 2 61 GLN HA 5.370 . 5.370 4.024 3.601 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
413 1 15 THR MG 2 63 ALA MB 5.180 . 5.180 5.109 4.883 5.247 0.067 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
414 1 15 THR MG 2 64 CYS H 4.950 . 4.950 4.382 4.215 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
415 1 15 THR MG 2 64 CYS HA 4.830 . 4.830 4.236 3.874 4.586 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
416 1 15 THR MG 2 64 CYS HB2 4.440 . 4.440 2.649 2.280 2.964 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
417 1 15 THR MG 2 64 CYS HB3 4.440 . 4.440 2.342 2.192 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
418 1 16 ALA H 1 16 ALA MB 2.530 . 2.530 2.226 2.182 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
419 1 16 ALA H 1 17 VAL H 3.720 . 3.720 2.988 2.856 3.122 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
420 1 16 ALA H 1 17 VAL HB 5.500 . 5.500 5.448 5.310 5.557 0.057 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
421 1 16 ALA H 1 17 VAL MG1 4.250 . 4.250 4.135 3.919 4.280 0.030 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
422 1 16 ALA HA 1 19 PHE H 4.660 . 4.660 3.988 3.837 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
423 1 16 ALA HA 1 19 PHE QB 5.250 . 5.250 3.569 3.345 3.933 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
424 1 16 ALA HA 1 19 PHE QD 4.920 . 4.920 4.369 3.814 4.996 0.076 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
425 1 16 ALA HA 1 20 GLN H 4.930 . 4.930 4.246 4.121 4.417 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
426 1 16 ALA HA 1 20 GLN HE21 4.750 . 4.750 3.651 3.378 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
427 1 16 ALA HA 1 20 GLN HE22 5.270 . 5.270 4.920 4.458 5.218 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
428 1 16 ALA MB 1 17 VAL H 2.830 . 2.830 2.282 2.200 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
429 1 16 ALA MB 1 17 VAL HA 3.900 . 3.900 3.809 3.733 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
430 1 16 ALA MB 1 17 VAL HB 3.730 . 3.730 3.739 3.595 3.800 0.070 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
431 1 16 ALA MB 1 17 VAL MG1 3.770 . 3.770 3.700 3.548 3.795 0.025 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
432 1 16 ALA MB 1 18 GLN H 4.380 . 4.380 4.288 4.205 4.421 0.041 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
433 1 16 ALA MB 1 20 GLN H 5.060 . 5.060 4.864 4.723 4.986 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
434 1 16 ALA MB 1 20 GLN HE21 4.160 . 4.160 2.804 2.428 3.261 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
435 1 16 ALA MB 1 20 GLN HG3 4.280 . 4.280 4.207 3.945 4.430 0.150 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
436 1 17 VAL H 1 17 VAL HB 3.130 . 3.130 2.546 2.469 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
437 1 17 VAL H 1 17 VAL MG1 2.590 . 2.590 2.054 1.924 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
438 1 17 VAL H 1 17 VAL MG2 3.860 . 3.860 3.787 3.746 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
439 1 17 VAL H 1 18 GLN H 3.280 . 3.280 2.597 2.530 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
440 1 17 VAL H 1 18 GLN HA 5.200 . 5.200 5.192 5.126 5.242 0.042 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
441 1 17 VAL H 1 18 GLN HB2 5.070 . 5.070 4.975 4.882 5.122 0.052 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
442 1 17 VAL H 1 18 GLN HG2 5.100 . 5.100 5.126 5.059 5.184 0.084 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
443 1 17 VAL H 1 18 GLN HG3 5.500 . 5.500 4.040 3.862 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
444 1 17 VAL H 1 19 PHE H 4.800 . 4.800 4.433 4.221 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
445 1 17 VAL H 1 20 GLN HB2 5.500 . 5.500 4.747 4.682 4.809 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
446 1 17 VAL HA 1 17 VAL MG1 3.280 . 3.280 3.272 3.247 3.307 0.027 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
447 1 17 VAL HA 1 17 VAL MG2 2.890 . 2.890 2.335 2.285 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
448 1 17 VAL HA 1 20 GLN H 4.190 . 4.190 3.390 3.182 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
449 1 17 VAL HA 1 20 GLN HB2 3.740 . 3.740 2.249 2.122 2.377 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
450 1 17 VAL HA 1 20 GLN HB3 3.680 . 3.680 3.716 3.662 3.802 0.122 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
451 1 17 VAL HA 1 20 GLN HG2 5.500 . 5.500 4.937 4.724 5.081 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
452 1 17 VAL HA 1 21 GLN H 4.560 . 4.560 3.783 3.356 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
453 1 17 VAL HA 1 21 GLN QG 4.660 . 4.660 3.872 3.523 4.715 0.055 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
454 1 17 VAL HB 1 18 GLN H 4.200 . 4.200 4.087 4.049 4.125 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
455 1 17 VAL MG1 1 18 GLN H 3.270 . 3.270 2.375 2.319 2.468 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
456 1 17 VAL MG1 1 18 GLN HA 3.490 . 3.490 3.294 3.142 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
457 1 17 VAL MG1 1 18 GLN HG2 3.870 . 3.870 2.844 2.637 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
458 1 17 VAL MG1 1 18 GLN HG3 4.450 . 4.450 2.806 2.652 3.128 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
459 1 17 VAL MG1 1 20 GLN HB2 5.050 . 5.050 4.925 4.792 5.036 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
460 1 17 VAL MG1 1 20 GLN HE21 4.750 . 4.750 4.804 4.754 4.912 0.162 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
461 1 17 VAL MG2 1 18 GLN H 3.890 . 3.890 3.869 3.790 3.970 0.080 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
462 1 17 VAL MG2 1 18 GLN HA 4.170 . 4.170 3.824 3.701 3.960 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
463 1 17 VAL MG2 1 18 GLN HG2 4.540 . 4.540 4.544 4.429 4.656 0.116 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
464 1 17 VAL MG2 1 19 PHE H 5.500 . 5.500 5.362 4.984 5.494 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
465 1 17 VAL MG2 1 20 GLN H 5.130 . 5.130 4.724 4.610 4.861 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
466 1 17 VAL MG2 1 20 GLN HB2 3.800 . 3.800 3.607 3.374 3.806 0.006 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
467 1 17 VAL MG2 1 20 GLN HE21 4.440 . 4.440 4.109 3.824 4.416 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
468 1 17 VAL MG2 1 20 GLN HE22 5.030 . 5.030 4.434 4.168 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
469 1 17 VAL MG2 1 21 GLN H 4.290 . 4.290 3.801 3.464 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
470 1 17 VAL MG2 1 21 GLN HE21 4.240 . 4.240 2.993 1.949 4.259 0.019 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
471 1 17 VAL MG2 1 21 GLN QE 3.630 . 3.630 2.799 1.929 3.631 0.001 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
472 1 17 VAL MG2 1 21 GLN HE22 4.240 . 4.240 3.644 2.894 4.318 0.078 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
473 1 17 VAL MG2 1 21 GLN QG 3.440 . 3.440 2.410 2.106 3.481 0.041 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
474 1 18 GLN H 1 18 GLN HB2 3.490 . 3.490 2.594 2.517 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
475 1 18 GLN H 1 18 GLN HB3 3.590 . 3.590 3.597 3.577 3.622 0.032 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
476 1 18 GLN H 1 18 GLN HG2 3.570 . 3.570 2.998 2.912 3.086 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
477 1 18 GLN H 1 18 GLN HG3 3.910 . 3.910 2.160 2.018 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
478 1 18 GLN H 1 19 PHE H 3.580 . 3.580 2.716 2.619 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
479 1 18 GLN H 1 19 PHE QD 5.420 . 5.420 5.131 4.859 5.371 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
480 1 18 GLN H 1 20 GLN H 4.460 . 4.460 3.965 3.886 4.173 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
481 1 18 GLN H 1 21 GLN QB 5.340 . 5.340 5.174 5.084 5.317 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
482 1 18 GLN HA 1 18 GLN HG2 3.230 . 3.230 2.523 2.380 2.615 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
483 1 18 GLN HA 1 21 GLN H 4.530 . 4.530 3.631 3.441 3.954 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
484 1 18 GLN HB2 1 19 PHE H 3.950 . 3.950 2.490 2.352 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
485 1 18 GLN HB2 1 19 PHE QD 5.010 . 5.010 3.373 2.916 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
486 1 18 GLN HB2 2 68 LEU QD 4.450 . 4.450 3.524 3.030 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
487 1 18 GLN HB3 1 19 PHE H 4.150 . 4.150 3.657 3.516 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
488 1 18 GLN HB3 1 19 PHE QD 5.120 . 5.120 3.752 3.325 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
489 1 18 GLN HB3 2 68 LEU QD 3.750 . 3.750 2.846 2.383 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
490 1 18 GLN QE 2 68 LEU QD 4.260 . 4.260 4.499 3.491 4.755 0.495 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
491 1 18 GLN HG2 1 19 PHE H 5.220 . 5.220 4.793 4.711 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
492 1 18 GLN HG3 1 19 PHE H 4.690 . 4.690 4.108 3.978 4.356 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
493 1 19 PHE H 1 19 PHE QD 4.000 . 4.000 3.081 2.852 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
494 1 19 PHE H 1 20 GLN H 3.410 . 3.410 2.518 2.376 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
495 1 19 PHE H 1 20 GLN HB2 4.850 . 4.850 4.447 4.284 4.541 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
496 1 19 PHE H 1 21 GLN H 4.400 . 4.400 4.197 3.946 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
497 1 19 PHE H 1 21 GLN QB 5.170 . 5.170 5.194 5.115 5.288 0.118 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
498 1 19 PHE H 1 38 ILE MG 5.500 . 5.500 5.111 4.891 5.477 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
499 1 19 PHE H 1 41 LEU QD 4.900 . 4.900 4.564 4.357 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
500 1 19 PHE HA 1 19 PHE QD 3.440 . 3.440 2.044 1.945 2.182 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
501 1 19 PHE HA 1 19 PHE QE 4.580 . 4.580 4.380 4.265 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
502 1 19 PHE HA 1 22 TYR H 4.650 . 4.650 3.481 3.354 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
503 1 19 PHE HA 1 22 TYR HB2 4.680 . 4.680 3.889 3.679 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
504 1 19 PHE HA 1 22 TYR HB3 4.620 . 4.620 2.904 2.671 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
505 1 19 PHE HA 1 41 LEU QD 4.190 . 4.190 2.517 2.316 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
506 1 19 PHE HA 2 68 LEU QD 4.370 . 4.370 2.880 2.555 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
507 1 19 PHE QB 1 20 GLN H 3.840 . 3.840 2.688 2.577 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
508 1 19 PHE QB 1 20 GLN HA 5.340 . 5.340 3.939 3.862 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
509 1 19 PHE QB 1 38 ILE HA 4.710 . 4.710 2.932 2.707 3.279 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
510 1 19 PHE QB 1 38 ILE MD 4.180 . 4.180 3.437 3.302 3.647 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
511 1 19 PHE QB 1 38 ILE QG 4.870 . 4.870 2.120 2.011 2.242 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
512 1 19 PHE QB 1 38 ILE MG 4.090 . 4.090 2.530 2.315 2.916 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
513 1 19 PHE QB 1 41 LEU QD 3.750 . 3.750 2.408 2.194 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
514 1 19 PHE HB2 1 20 GLN H 4.430 . 4.430 2.760 2.637 2.869 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
515 1 19 PHE HB2 1 38 ILE MG 4.790 . 4.790 3.026 2.767 3.402 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
516 1 19 PHE HB3 1 20 GLN H 4.430 . 4.430 3.706 3.574 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
517 1 19 PHE HB3 1 38 ILE MG 4.790 . 4.790 2.720 2.423 3.211 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
518 1 19 PHE QD 1 20 GLN H 4.590 . 4.590 4.545 4.488 4.591 0.001 8 0 "[ . 1 . 2 . 3 . 4 .]" 1
519 1 19 PHE QD 1 22 TYR H 5.350 . 5.350 5.057 4.915 5.185 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
520 1 19 PHE QD 1 22 TYR HB2 4.900 . 4.900 4.791 4.523 4.926 0.026 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
521 1 19 PHE QD 1 38 ILE HA 4.790 . 4.790 3.966 3.404 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
522 1 19 PHE QD 1 38 ILE QG 5.340 . 5.340 3.906 3.629 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
523 1 19 PHE QD 1 38 ILE MG 3.490 . 3.490 2.451 2.197 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
524 1 19 PHE QD 1 41 LEU HA 5.470 . 5.470 5.412 5.219 5.534 0.064 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
525 1 19 PHE QD 1 41 LEU HB2 5.210 . 5.210 3.646 2.973 4.416 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
526 1 19 PHE QD 1 41 LEU HB3 5.210 . 5.210 3.313 3.047 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
527 1 19 PHE QD 1 41 LEU QD 3.330 . 3.330 2.556 2.283 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
528 1 19 PHE QD 1 42 GLN HA 5.390 . 5.390 4.028 3.819 4.268 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
529 1 19 PHE QD 1 42 GLN HE21 5.250 . 5.250 3.251 2.297 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
530 1 19 PHE QD 1 42 GLN QE 4.540 . 4.540 3.189 2.201 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
531 1 19 PHE QD 1 42 GLN HE22 5.250 . 5.250 4.652 2.824 5.362 0.112 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
532 1 19 PHE QD 1 42 GLN HG2 4.970 . 4.970 2.932 2.403 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
533 1 19 PHE QD 1 42 GLN QG 4.170 . 4.170 2.522 2.341 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
534 1 19 PHE QD 1 42 GLN HG3 4.970 . 4.970 2.936 2.488 4.177 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
535 1 19 PHE QD 2 64 CYS QB 4.980 . 4.980 4.319 3.923 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
536 1 19 PHE QD 2 68 LEU MD1 3.460 . 3.460 2.563 2.159 3.303 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
537 1 19 PHE QD 2 68 LEU MD2 3.460 . 3.460 2.499 2.087 3.186 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
538 1 19 PHE QD 2 68 LEU HG 5.290 . 5.290 4.028 3.255 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
539 1 19 PHE QE 1 38 ILE MG 4.510 . 4.510 4.266 4.060 4.514 0.004 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
540 1 19 PHE QE 1 41 LEU HA 5.500 . 5.500 4.728 4.526 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
541 1 19 PHE QE 1 41 LEU QB 4.880 . 4.880 3.039 2.826 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
542 1 19 PHE QE 1 41 LEU MD1 4.930 . 4.930 4.075 3.522 4.939 0.009 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
543 1 19 PHE QE 1 41 LEU QD 3.990 . 3.990 3.331 2.989 3.717 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
544 1 19 PHE QE 1 41 LEU MD2 4.930 . 4.930 3.598 3.190 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
545 1 19 PHE QE 1 42 GLN H 4.640 . 4.640 3.861 3.449 4.209 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
546 1 19 PHE QE 1 42 GLN HA 4.150 . 4.150 2.196 2.036 2.472 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
547 1 19 PHE QE 1 42 GLN QG 5.050 . 5.050 2.584 2.262 3.276 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
548 1 19 PHE QE 1 45 HIS H 5.060 . 5.060 4.648 4.305 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
549 1 19 PHE QE 1 45 HIS HB2 4.750 . 4.750 3.285 2.823 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
550 1 19 PHE QE 1 45 HIS HB3 4.900 . 4.900 3.433 3.164 3.694 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
551 1 19 PHE QE 2 67 VAL QG 4.820 . 4.820 3.779 3.185 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
552 1 19 PHE QE 2 68 LEU H 5.020 . 5.020 4.636 4.078 4.924 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
553 1 19 PHE QE 2 68 LEU MD1 3.830 . 3.830 2.848 2.057 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
554 1 19 PHE QE 2 68 LEU QD 3.310 . 3.310 2.315 2.040 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
555 1 19 PHE QE 2 68 LEU MD2 3.830 . 3.830 2.822 2.069 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
556 1 19 PHE QE 2 68 LEU HG 4.680 . 4.680 3.959 2.376 4.835 0.155 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
557 1 19 PHE HZ 1 41 LEU MD1 5.500 . 5.500 5.070 4.612 5.575 0.075 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
558 1 19 PHE HZ 1 41 LEU QD 4.750 . 4.750 4.268 3.807 4.642 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
559 1 19 PHE HZ 1 41 LEU MD2 5.500 . 5.500 4.609 4.034 5.085 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
560 1 19 PHE HZ 1 45 HIS H 4.790 . 4.790 4.259 4.093 4.417 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
561 1 19 PHE HZ 1 45 HIS HA 5.170 . 5.170 4.293 3.995 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
562 1 19 PHE HZ 1 45 HIS HB2 5.010 . 5.010 2.028 1.953 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
563 1 19 PHE HZ 1 45 HIS HB3 4.460 . 4.460 3.132 3.001 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
564 1 19 PHE HZ 1 46 TYR H 5.500 . 5.500 5.545 5.488 5.678 0.178 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
565 1 19 PHE HZ 2 64 CYS HA 4.940 . 4.940 3.755 2.962 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
566 1 19 PHE HZ 2 67 VAL HB 5.470 . 5.470 4.477 3.646 4.930 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
567 1 19 PHE HZ 2 67 VAL QG 4.840 . 4.840 3.811 3.376 4.107 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
568 1 19 PHE HZ 2 68 LEU MD1 5.500 . 5.500 4.770 3.735 5.541 0.041 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
569 1 19 PHE HZ 2 68 LEU QD 4.750 . 4.750 4.115 3.631 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
570 1 19 PHE HZ 2 68 LEU MD2 5.500 . 5.500 4.809 3.951 5.748 0.248 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
571 1 20 GLN H 1 20 GLN HB2 3.270 . 3.270 2.220 2.170 2.281 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
572 1 20 GLN H 1 20 GLN HB3 3.650 . 3.650 3.527 3.470 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
573 1 20 GLN H 1 20 GLN HG2 3.960 . 3.960 3.886 3.752 3.966 0.006 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
574 1 20 GLN H 1 20 GLN HG3 3.790 . 3.790 2.733 2.551 2.824 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
575 1 20 GLN H 1 21 GLN H 3.450 . 3.450 2.750 2.704 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
576 1 20 GLN H 1 23 ALA MB 5.500 . 5.500 4.669 4.492 4.854 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
577 1 20 GLN H 1 38 ILE MD 4.450 . 4.450 4.040 3.707 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
578 1 20 GLN HA 1 20 GLN HE21 5.430 . 5.430 4.724 4.625 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
579 1 20 GLN HA 1 20 GLN HG2 3.460 . 3.460 2.433 2.322 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
580 1 20 GLN HA 1 20 GLN HG3 3.110 . 3.110 2.797 2.721 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
581 1 20 GLN HA 1 23 ALA H 4.750 . 4.750 3.483 3.282 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
582 1 20 GLN HA 1 23 ALA MB 4.110 . 4.110 2.641 2.401 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
583 1 20 GLN HA 1 38 ILE MD 3.080 . 3.080 2.376 2.128 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
584 1 20 GLN HA 1 38 ILE QG 4.990 . 4.990 3.307 2.964 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
585 1 20 GLN HA 1 41 LEU QD 5.440 . 5.440 5.257 4.928 5.605 0.165 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
586 1 20 GLN HB2 1 20 GLN HE21 3.780 . 3.780 2.471 2.234 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
587 1 20 GLN HB2 1 21 GLN H 3.640 . 3.640 2.745 2.524 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
588 1 20 GLN HB3 1 23 ALA H 5.500 . 5.500 5.408 5.216 5.505 0.005 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
589 1 20 GLN HE21 1 20 GLN HG3 3.380 . 3.380 2.432 2.255 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
590 1 20 GLN HG2 1 38 ILE MD 3.800 . 3.800 2.606 2.244 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
591 1 20 GLN HG3 1 21 GLN H 4.920 . 4.920 4.729 4.522 4.817 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
592 1 20 GLN HG3 1 38 ILE MD 3.410 . 3.410 2.819 2.361 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
593 1 21 GLN H 1 21 GLN HB2 3.720 . 3.720 2.347 2.242 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
594 1 21 GLN H 1 21 GLN QB 3.020 . 3.020 2.290 2.162 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
595 1 21 GLN H 1 21 GLN HB3 3.720 . 3.720 3.544 2.183 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
596 1 21 GLN H 1 21 GLN HG2 4.210 . 4.210 3.266 2.384 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
597 1 21 GLN H 1 21 GLN QG 3.490 . 3.490 2.512 2.350 2.728 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
598 1 21 GLN H 1 21 GLN HG3 4.210 . 4.210 3.056 2.452 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
599 1 21 GLN H 1 22 TYR H 3.550 . 3.550 2.706 2.597 2.762 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
600 1 21 GLN H 1 22 TYR HB2 5.190 . 5.190 5.186 5.038 5.285 0.095 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
601 1 21 GLN H 1 23 ALA MB 5.270 . 5.270 4.889 4.769 5.082 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
602 1 21 GLN H 1 24 ALA MB 4.870 . 4.870 4.689 4.527 4.811 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
603 1 21 GLN HA 1 21 GLN QG 3.720 . 3.720 2.559 2.248 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
604 1 21 GLN HA 1 24 ALA MB 3.710 . 3.710 2.628 2.339 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
605 1 21 GLN QB 1 22 TYR H 3.260 . 3.260 2.605 2.453 3.375 0.115 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
606 1 21 GLN QB 1 22 TYR HA 5.130 . 5.130 3.884 3.782 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
607 1 21 GLN QB 1 22 TYR HB2 5.160 . 5.160 4.178 4.002 5.150 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
608 1 21 GLN QB 1 23 ALA H 5.340 . 5.340 4.726 4.616 5.135 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
609 1 21 GLN QE 1 21 GLN QG 3.100 . 3.100 2.172 2.063 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
610 1 22 TYR H 1 22 TYR HB2 3.630 . 3.630 2.594 2.482 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
611 1 22 TYR H 1 22 TYR HB3 3.720 . 3.720 2.504 2.418 2.613 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
612 1 22 TYR H 1 22 TYR QD 4.280 . 4.280 4.218 4.179 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
613 1 22 TYR H 1 23 ALA H 4.000 . 4.000 2.664 2.593 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
614 1 22 TYR H 1 23 ALA MB 4.760 . 4.760 4.336 4.254 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
615 1 22 TYR H 1 24 ALA MB 5.500 . 5.500 4.787 4.661 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
616 1 22 TYR H 1 25 GLN H 5.120 . 5.120 4.731 4.578 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
617 1 22 TYR H 1 37 LEU QD 5.440 . 5.440 5.428 5.108 5.628 0.188 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
618 1 22 TYR H 1 41 LEU QD 4.750 . 4.750 4.651 4.427 4.886 0.136 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
619 1 22 TYR H 2 68 LEU QD 4.490 . 4.490 4.131 3.843 4.547 0.057 15 0 "[ . 1 . 2 . 3 . 4 .]" 1
620 1 22 TYR HA 1 22 TYR QD 4.360 . 4.360 2.270 2.115 2.480 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
621 1 22 TYR HA 1 22 TYR QE 4.490 . 4.490 4.424 4.285 4.579 0.089 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
622 1 22 TYR HA 1 24 ALA H 4.430 . 4.430 4.237 4.148 4.368 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
623 1 22 TYR HA 1 25 GLN H 4.190 . 4.190 3.234 3.067 3.423 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
624 1 22 TYR HA 1 25 GLN QB 5.340 . 5.340 2.845 2.180 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
625 1 22 TYR HA 1 41 LEU QD 5.330 . 5.330 5.263 5.091 5.451 0.121 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
626 1 22 TYR HB2 1 23 ALA H 4.190 . 4.190 3.935 3.857 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
627 1 22 TYR HB2 1 37 LEU QD 5.060 . 5.060 4.921 4.653 5.136 0.076 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
628 1 22 TYR HB2 2 68 LEU MD1 4.720 . 4.720 3.439 2.449 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
629 1 22 TYR HB2 2 68 LEU QD 3.820 . 3.820 2.707 2.333 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
630 1 22 TYR HB2 2 68 LEU MD2 4.720 . 4.720 3.403 2.353 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
631 1 22 TYR HB3 1 23 ALA H 4.070 . 4.070 2.624 2.477 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
632 1 22 TYR HB3 1 23 ALA HA 4.820 . 4.820 4.302 4.177 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
633 1 22 TYR HB3 1 23 ALA MB 5.250 . 5.250 3.965 3.842 4.092 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
634 1 22 TYR HB3 1 41 LEU QD 4.830 . 4.830 3.007 2.715 3.219 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
635 1 22 TYR HB3 2 68 LEU MD1 5.220 . 5.220 3.685 2.599 4.882 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
636 1 22 TYR HB3 2 68 LEU QD 4.110 . 4.110 2.934 2.579 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
637 1 22 TYR HB3 2 68 LEU MD2 5.220 . 5.220 3.800 2.716 4.864 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
638 1 22 TYR QD 1 23 ALA H 4.210 . 4.210 3.846 3.613 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
639 1 22 TYR QD 1 24 ALA H 5.500 . 5.500 5.578 5.524 5.674 0.174 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
640 1 22 TYR QD 1 25 GLN H 5.020 . 5.020 4.769 4.479 5.027 0.007 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
641 1 22 TYR QD 1 26 GLN H 4.890 . 4.890 4.755 4.467 4.940 0.050 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
642 1 22 TYR QD 1 26 GLN HG2 4.340 . 4.340 3.627 3.411 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
643 1 22 TYR QD 1 37 LEU MD1 3.640 . 3.640 3.541 2.487 3.828 0.188 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
644 1 22 TYR QD 1 37 LEU QD 3.010 . 3.010 2.435 2.057 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
645 1 22 TYR QD 1 37 LEU MD2 3.640 . 3.640 2.486 2.193 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
646 1 22 TYR QD 1 37 LEU HG 4.770 . 4.770 3.441 3.040 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
647 1 22 TYR QD 1 38 ILE QG 5.340 . 5.340 5.274 4.890 5.489 0.149 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
648 1 22 TYR QD 1 41 LEU MD1 3.700 . 3.700 2.521 1.946 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
649 1 22 TYR QD 1 41 LEU QD 3.240 . 3.240 2.032 1.906 2.460 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
650 1 22 TYR QD 1 41 LEU MD2 3.700 . 3.700 2.672 2.003 3.358 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
651 1 22 TYR QD 1 41 LEU HG 5.330 . 5.330 4.305 3.977 5.178 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
652 1 22 TYR QD 2 68 LEU QD 3.730 . 3.730 2.888 2.406 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
653 1 22 TYR QD 2 71 VAL QG 3.920 . 3.920 3.439 3.126 4.024 0.104 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
654 1 22 TYR QE 1 26 GLN H 5.500 . 5.500 5.195 4.935 5.458 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
655 1 22 TYR QE 1 26 GLN HB3 5.500 . 5.500 5.181 5.007 5.341 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
656 1 22 TYR QE 1 26 GLN HE21 4.960 . 4.960 5.018 4.768 5.184 0.224 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
657 1 22 TYR QE 1 26 GLN HG2 3.980 . 3.980 3.276 2.931 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
658 1 22 TYR QE 1 26 GLN HG3 3.910 . 3.910 3.207 2.901 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
659 1 22 TYR QE 1 37 LEU MD1 3.470 . 3.470 2.526 2.163 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
660 1 22 TYR QE 1 37 LEU QD 2.930 . 2.930 2.255 2.058 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
661 1 22 TYR QE 1 37 LEU MD2 3.470 . 3.470 2.576 2.226 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
662 1 22 TYR QE 1 37 LEU HG 4.560 . 4.560 3.950 3.674 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
663 1 22 TYR QE 1 41 LEU MD1 3.830 . 3.830 3.362 2.946 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
664 1 22 TYR QE 1 41 LEU MD2 3.830 . 3.830 3.244 2.672 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
665 1 22 TYR QE 2 68 LEU HA 4.730 . 4.730 4.601 4.138 4.856 0.126 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
666 1 22 TYR QE 2 68 LEU HB3 5.500 . 5.500 5.280 4.601 5.590 0.090 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
667 1 22 TYR QE 2 68 LEU QD 4.090 . 4.090 3.769 3.252 4.489 0.399 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
668 1 22 TYR QE 2 71 VAL HB 4.580 . 4.580 4.093 2.725 4.674 0.094 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
669 1 22 TYR QE 2 71 VAL QG 3.400 . 3.400 2.126 2.021 2.316 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
670 1 22 TYR QE 2 72 LYS H 4.830 . 4.830 4.723 4.399 4.921 0.091 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
671 1 22 TYR QE 2 72 LYS HA 4.940 . 4.940 3.948 3.635 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
672 1 22 TYR QE 2 72 LYS QB 4.950 . 4.950 4.372 4.165 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
673 1 22 TYR QE 2 72 LYS QE 4.440 . 4.440 2.916 2.217 4.447 0.007 15 0 "[ . 1 . 2 . 3 . 4 .]" 1
674 1 22 TYR QE 2 72 LYS HG2 4.550 . 4.550 2.460 2.235 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
675 1 22 TYR QE 2 72 LYS QG 3.750 . 3.750 2.373 2.180 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
676 1 22 TYR QE 2 72 LYS HG3 4.550 . 4.550 3.130 2.859 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
677 1 22 TYR QE 2 75 HIS HE1 4.250 . 4.250 3.417 2.628 4.110 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
678 1 23 ALA H 1 23 ALA MB 2.900 . 2.900 2.218 2.160 2.252 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
679 1 23 ALA H 1 24 ALA H 3.450 . 3.450 2.654 2.591 2.766 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
680 1 23 ALA H 1 24 ALA MB 4.420 . 4.420 4.331 4.299 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
681 1 23 ALA H 1 25 GLN H 4.540 . 4.540 4.099 3.932 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
682 1 23 ALA H 1 37 LEU QD 3.910 . 3.910 3.749 3.469 3.931 0.021 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
683 1 23 ALA H 1 38 ILE MD 4.750 . 4.750 4.455 4.216 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
684 1 23 ALA H 1 41 LEU QD 4.790 . 4.790 4.001 3.774 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
685 1 23 ALA HA 1 26 GLN H 4.220 . 4.220 3.376 3.260 3.702 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
686 1 23 ALA HA 1 26 GLN HB2 4.380 . 4.380 2.914 2.681 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
687 1 23 ALA HA 1 26 GLN HB3 4.630 . 4.630 4.616 4.383 4.690 0.060 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
688 1 23 ALA HA 1 26 GLN HG2 4.690 . 4.690 3.839 3.502 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
689 1 23 ALA HA 1 27 TYR H 4.520 . 4.520 3.766 3.656 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
690 1 23 ALA HA 1 27 TYR QD 4.610 . 4.610 3.309 3.134 3.539 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
691 1 23 ALA HA 1 27 TYR QE 4.340 . 4.340 4.375 4.283 4.480 0.140 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
692 1 23 ALA HA 1 37 LEU QD 2.940 . 2.940 1.928 1.859 2.033 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
693 1 23 ALA HA 1 38 ILE MD 5.240 . 5.240 5.185 5.038 5.407 0.167 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
694 1 23 ALA MB 1 24 ALA H 3.430 . 3.430 2.684 2.603 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
695 1 23 ALA MB 1 24 ALA HA 4.810 . 4.810 3.928 3.867 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
696 1 23 ALA MB 1 25 GLN H 4.850 . 4.850 4.534 4.363 4.842 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
697 1 23 ALA MB 1 27 TYR H 4.630 . 4.630 4.332 4.268 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
698 1 23 ALA MB 1 27 TYR HB2 4.370 . 4.370 4.039 3.880 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
699 1 23 ALA MB 1 27 TYR QD 3.770 . 3.770 3.345 3.222 3.506 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
700 1 23 ALA MB 1 34 GLN H 4.510 . 4.510 4.491 4.421 4.575 0.065 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
701 1 23 ALA MB 1 34 GLN HA 3.770 . 3.770 2.067 1.983 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
702 1 23 ALA MB 1 34 GLN HB2 3.900 . 3.900 3.796 3.727 3.911 0.011 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
703 1 23 ALA MB 1 34 GLN HB3 3.700 . 3.700 2.543 2.420 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
704 1 23 ALA MB 1 34 GLN HG2 4.110 . 4.110 2.291 2.178 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
705 1 23 ALA MB 1 34 GLN QG 3.460 . 3.460 2.265 2.159 2.393 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
706 1 23 ALA MB 1 34 GLN HG3 4.110 . 4.110 3.576 3.494 3.717 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
707 1 23 ALA MB 1 35 GLN H 5.170 . 5.170 4.731 4.620 4.868 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
708 1 23 ALA MB 1 37 LEU H 4.500 . 4.500 4.319 4.008 4.504 0.004 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
709 1 23 ALA MB 1 37 LEU QB 3.650 . 3.650 2.738 2.447 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
710 1 23 ALA MB 1 37 LEU QD 3.010 . 3.010 2.611 2.417 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
711 1 23 ALA MB 1 38 ILE H 3.650 . 3.650 3.573 3.376 3.713 0.063 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
712 1 23 ALA MB 1 38 ILE HA 4.390 . 4.390 4.076 3.871 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
713 1 23 ALA MB 1 38 ILE MD 2.900 . 2.900 2.586 2.430 2.718 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
714 1 23 ALA MB 1 38 ILE HG12 3.660 . 3.660 3.125 2.945 3.319 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
715 1 23 ALA MB 1 38 ILE QG 3.120 . 3.120 2.266 2.112 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
716 1 23 ALA MB 1 38 ILE HG13 3.660 . 3.660 2.327 2.160 2.631 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
717 1 23 ALA MB 1 41 LEU QD 3.930 . 3.930 3.453 3.218 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
718 1 24 ALA H 1 24 ALA MB 2.550 . 2.550 2.228 2.183 2.249 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
719 1 24 ALA H 1 25 GLN H 3.340 . 3.340 2.605 2.463 2.827 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
720 1 24 ALA H 1 25 GLN QB 5.340 . 5.340 4.509 4.148 5.032 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
721 1 24 ALA H 1 26 GLN H 4.370 . 4.370 4.097 4.006 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
722 1 24 ALA H 1 28 PRO HA 5.500 . 5.500 5.549 5.518 5.680 0.180 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
723 1 24 ALA H 1 34 GLN QE 5.340 . 5.340 4.783 4.334 5.109 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
724 1 24 ALA HA 1 26 GLN H 5.060 . 5.060 4.283 4.064 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
725 1 24 ALA HA 1 27 TYR H 4.130 . 4.130 3.482 3.288 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
726 1 24 ALA HA 1 28 PRO HA 4.920 . 4.920 2.718 2.652 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
727 1 24 ALA HA 1 34 GLN HE21 4.540 . 4.540 2.806 2.242 3.413 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
728 1 24 ALA HA 1 34 GLN QE 3.930 . 3.930 2.665 2.197 3.133 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
729 1 24 ALA HA 1 34 GLN HE22 4.540 . 4.540 3.340 2.989 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
730 1 24 ALA HA 1 34 GLN HG2 5.130 . 5.130 3.078 2.883 3.399 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
731 1 24 ALA HA 1 34 GLN HG3 5.130 . 5.130 3.960 3.687 4.361 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
732 1 24 ALA MB 1 25 GLN H 3.010 . 3.010 2.722 2.574 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
733 1 24 ALA MB 1 25 GLN HA 4.450 . 4.450 3.906 3.759 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
734 1 24 ALA MB 1 25 GLN QG 4.730 . 4.730 4.282 3.456 5.042 0.312 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
735 1 24 ALA MB 1 26 GLN H 4.870 . 4.870 4.548 4.399 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
736 1 24 ALA MB 1 27 TYR H 5.500 . 5.500 4.728 4.600 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
737 1 24 ALA MB 1 28 PRO HB2 5.500 . 5.500 5.013 4.895 5.177 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
738 1 24 ALA MB 1 29 GLY H 4.710 . 4.710 4.205 3.978 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
739 1 24 ALA MB 1 34 GLN HB3 5.500 . 5.500 5.161 4.940 5.447 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
740 1 24 ALA MB 1 34 GLN QE 3.970 . 3.970 3.329 3.066 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
741 1 24 ALA MB 1 34 GLN QG 5.100 . 5.100 3.900 3.613 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
742 1 25 GLN H 1 25 GLN HB2 3.640 . 3.640 2.581 2.071 3.687 0.047 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
743 1 25 GLN H 1 25 GLN QB 3.110 . 3.110 2.279 2.050 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
744 1 25 GLN H 1 25 GLN HB3 3.640 . 3.640 3.060 2.522 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
745 1 25 GLN H 1 25 GLN HG2 4.680 . 4.680 3.762 2.062 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
746 1 25 GLN H 1 25 GLN QG 3.880 . 3.880 3.023 2.044 3.925 0.045 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
747 1 25 GLN H 1 25 GLN HG3 4.680 . 4.680 3.427 2.440 4.328 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
748 1 25 GLN H 1 26 GLN H 3.240 . 3.240 2.552 2.450 2.618 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
749 1 25 GLN H 1 26 GLN HA 5.270 . 5.270 5.204 5.075 5.280 0.010 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
750 1 25 GLN H 1 26 GLN HB2 4.810 . 4.810 4.785 4.582 4.869 0.059 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
751 1 25 GLN H 1 26 GLN HG2 4.790 . 4.790 4.386 4.244 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
752 1 25 GLN H 1 27 TYR H 4.370 . 4.370 4.134 3.979 4.337 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
753 1 25 GLN H 1 37 LEU QD 5.350 . 5.350 5.189 4.996 5.456 0.106 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
754 1 25 GLN HA 1 25 GLN HG2 3.990 . 3.990 2.879 2.295 3.942 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
755 1 25 GLN HA 1 25 GLN HG3 3.990 . 3.990 2.908 2.324 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
756 1 25 GLN HA 1 28 PRO HB3 4.470 . 4.470 4.168 3.655 4.493 0.023 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
757 1 25 GLN HA 1 28 PRO HD2 5.500 . 5.500 5.494 5.259 5.572 0.072 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
758 1 25 GLN HA 1 28 PRO HD3 4.920 . 4.920 3.722 3.467 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
759 1 25 GLN QB 1 26 GLN H 3.540 . 3.540 2.857 2.485 3.670 0.130 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
760 1 25 GLN QB 1 26 GLN HA 4.600 . 4.600 4.003 3.567 4.637 0.037 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
761 1 25 GLN HB2 1 26 GLN H 4.130 . 4.130 3.362 2.546 4.160 0.030 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
762 1 25 GLN HB3 1 26 GLN H 4.130 . 4.130 3.315 2.597 4.133 0.003 13 0 "[ . 1 . 2 . 3 . 4 .]" 1
763 1 25 GLN QG 1 26 GLN H 4.610 . 4.610 3.825 2.493 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
764 1 25 GLN QG 1 26 GLN HA 5.340 . 5.340 4.643 3.398 5.602 0.262 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
765 1 25 GLN HG2 1 26 GLN H 5.290 . 5.290 4.318 2.729 5.144 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
766 1 25 GLN HG3 1 26 GLN H 5.290 . 5.290 4.365 2.647 5.104 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
767 1 26 GLN H 1 26 GLN HB2 3.420 . 3.420 2.434 2.337 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
768 1 26 GLN H 1 26 GLN HB3 3.750 . 3.750 3.628 3.588 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
769 1 26 GLN H 1 26 GLN HG2 3.680 . 3.680 2.506 2.397 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
770 1 26 GLN H 1 26 GLN HG3 4.130 . 4.130 3.838 3.742 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
771 1 26 GLN H 1 27 TYR H 3.700 . 3.700 2.480 2.330 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
772 1 26 GLN H 1 27 TYR HA 5.460 . 5.460 5.164 5.056 5.324 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
773 1 26 GLN H 1 27 TYR QD 5.050 . 5.050 4.612 4.369 4.921 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
774 1 26 GLN H 1 28 PRO HD3 4.850 . 4.850 4.217 4.075 4.378 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
775 1 26 GLN H 1 37 LEU QD 4.340 . 4.340 4.003 3.826 4.170 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
776 1 26 GLN HA 1 26 GLN HE21 4.650 . 4.650 2.819 2.340 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
777 1 26 GLN HA 1 26 GLN HE22 4.760 . 4.760 3.392 3.147 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
778 1 26 GLN HA 1 26 GLN HG2 4.010 . 4.010 3.156 2.996 3.303 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
779 1 26 GLN HA 1 26 GLN HG3 4.090 . 4.090 3.781 3.694 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
780 1 26 GLN HA 1 28 PRO QG 5.500 . 5.500 5.584 5.520 5.697 0.197 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
781 1 26 GLN HA 1 37 LEU QD 5.010 . 5.010 4.881 4.732 5.016 0.006 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
782 1 26 GLN HB2 1 27 TYR H 3.760 . 3.760 2.663 2.458 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
783 1 26 GLN HB2 1 27 TYR HB2 5.500 . 5.500 4.208 4.100 4.347 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
784 1 26 GLN HB2 1 27 TYR QD 4.070 . 4.070 2.951 2.744 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
785 1 26 GLN HB2 1 27 TYR QE 4.370 . 4.370 3.421 3.316 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
786 1 26 GLN HB2 1 37 LEU QD 3.460 . 3.460 2.612 2.463 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
787 1 26 GLN HB3 1 27 TYR H 4.070 . 4.070 3.654 3.337 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
788 1 26 GLN HB3 1 27 TYR QD 4.560 . 4.560 3.632 3.417 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
789 1 26 GLN HB3 1 27 TYR QE 4.840 . 4.840 3.367 3.222 3.526 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
790 1 26 GLN HB3 1 37 LEU QD 3.310 . 3.310 3.283 3.135 3.453 0.143 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
791 1 26 GLN HE21 1 27 TYR QE 4.810 . 4.810 4.414 3.621 4.825 0.015 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
792 1 26 GLN HE21 1 37 LEU QD 4.780 . 4.780 4.260 3.938 4.639 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
793 1 26 GLN HE21 2 75 HIS HB3 5.500 . 5.500 5.184 3.824 5.586 0.086 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
794 1 26 GLN HE22 2 75 HIS HB3 5.200 . 5.200 4.308 3.454 4.993 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
795 1 26 GLN HG2 1 27 TYR H 4.670 . 4.670 4.402 4.322 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
796 1 26 GLN HG2 1 27 TYR QE 5.150 . 5.150 5.173 5.110 5.310 0.160 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
797 1 26 GLN HG2 1 37 LEU QD 3.370 . 3.370 3.261 3.064 3.459 0.089 22 0 "[ . 1 . 2 . 3 . 4 .]" 1
798 1 26 GLN HG3 1 37 LEU QD 3.710 . 3.710 2.523 2.304 2.750 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
799 1 27 TYR H 1 27 TYR HB2 4.160 . 4.160 2.760 2.715 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
800 1 27 TYR H 1 27 TYR QD 3.950 . 3.950 3.240 3.061 3.429 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
801 1 27 TYR H 1 27 TYR QE 4.920 . 4.920 4.892 4.793 5.013 0.093 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
802 1 27 TYR H 1 28 PRO HD2 4.430 . 4.430 3.960 3.849 4.132 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
803 1 27 TYR H 1 28 PRO HD3 3.930 . 3.930 3.256 3.194 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
804 1 27 TYR H 1 28 PRO QG 5.290 . 5.290 5.004 4.934 5.127 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
805 1 27 TYR H 1 34 GLN QG 4.940 . 4.940 3.685 3.586 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
806 1 27 TYR H 1 37 LEU QD 4.430 . 4.430 4.217 3.986 4.447 0.017 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
807 1 27 TYR HA 1 27 TYR QD 3.610 . 3.610 2.594 2.465 2.750 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
808 1 27 TYR HA 1 27 TYR QE 5.050 . 5.050 4.638 4.538 4.738 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
809 1 27 TYR HA 1 28 PRO HD2 3.570 . 3.570 2.361 2.251 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
810 1 27 TYR HA 1 28 PRO HD3 3.770 . 3.770 3.271 3.180 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
811 1 27 TYR HA 1 28 PRO QG 4.090 . 4.090 4.065 3.943 4.128 0.038 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
812 1 27 TYR HB2 1 30 ASN H 4.880 . 4.880 4.244 3.986 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
813 1 27 TYR HB2 1 30 ASN QB 5.190 . 5.190 3.327 3.073 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
814 1 27 TYR HB2 1 33 GLN HB2 5.500 . 5.500 3.892 3.530 4.122 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
815 1 27 TYR HB2 1 33 GLN HB3 5.170 . 5.170 3.003 2.852 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
816 1 27 TYR HB2 1 34 GLN QG 4.580 . 4.580 2.389 2.265 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
817 1 27 TYR HB2 1 37 LEU QD 4.740 . 4.740 4.423 4.203 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
818 1 27 TYR HB3 1 30 ASN H 4.290 . 4.290 3.755 3.530 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
819 1 27 TYR HB3 1 30 ASN HB2 4.940 . 4.940 2.577 1.994 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
820 1 27 TYR HB3 1 30 ASN QB 4.160 . 4.160 2.239 1.982 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
821 1 27 TYR HB3 1 30 ASN HB3 4.940 . 4.940 3.313 2.246 3.791 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
822 1 27 TYR HB3 1 33 GLN HB2 4.930 . 4.930 3.012 2.674 3.326 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
823 1 27 TYR QD 1 28 PRO HD2 4.710 . 4.710 4.582 4.472 4.741 0.031 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
824 1 27 TYR QD 1 28 PRO HD3 5.320 . 5.320 5.341 5.220 5.431 0.111 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
825 1 27 TYR QD 1 33 GLN HB3 4.490 . 4.490 3.112 2.868 3.250 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
826 1 27 TYR QD 1 33 GLN QG 3.630 . 3.630 3.358 3.131 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
827 1 27 TYR QD 1 34 GLN HA 4.040 . 4.040 2.893 2.525 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
828 1 27 TYR QD 1 34 GLN QG 4.320 . 4.320 3.452 3.156 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
829 1 27 TYR QD 1 37 LEU H 5.500 . 5.500 4.563 4.352 4.825 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
830 1 27 TYR QD 1 37 LEU QD 3.410 . 3.410 2.596 2.292 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
831 1 27 TYR QE 1 33 GLN QG 4.140 . 4.140 3.997 3.656 4.268 0.128 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
832 1 27 TYR QE 1 37 LEU H 5.060 . 5.060 4.469 4.075 4.786 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
833 1 27 TYR QE 1 37 LEU HA 5.110 . 5.110 4.419 4.153 4.763 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
834 1 27 TYR QE 1 37 LEU QB 4.270 . 4.270 2.228 2.015 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
835 1 27 TYR QE 1 37 LEU MD1 3.890 . 3.890 2.944 1.966 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
836 1 27 TYR QE 1 37 LEU QD 2.920 . 2.920 2.022 1.957 2.165 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
837 1 27 TYR QE 1 37 LEU MD2 3.890 . 3.890 2.107 1.996 4.049 0.159 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
838 1 27 TYR QE 1 37 LEU HG 4.680 . 4.680 4.328 2.915 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
839 1 28 PRO HA 1 30 ASN H 4.300 . 4.300 3.674 3.471 3.787 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
840 1 28 PRO HB2 1 30 ASN H 5.010 . 5.010 4.941 4.889 5.061 0.051 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
841 1 28 PRO HB3 1 29 GLY H 4.490 . 4.490 3.825 3.757 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
842 1 28 PRO HB3 1 30 ASN H 5.500 . 5.500 5.535 5.505 5.599 0.099 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
843 1 28 PRO QG 1 30 ASN H 5.500 . 5.500 4.896 4.832 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
844 1 29 GLY H 1 30 ASN H 3.720 . 3.720 3.144 2.884 3.269 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
845 1 29 GLY H 1 34 GLN HE21 4.860 . 4.860 2.780 2.599 3.034 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
846 1 29 GLY H 1 34 GLN QE 4.190 . 4.190 2.350 2.199 2.636 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
847 1 29 GLY H 1 34 GLN HE22 4.860 . 4.860 2.536 2.373 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
848 1 30 ASN H 1 30 ASN HB2 4.080 . 4.080 2.458 2.288 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
849 1 30 ASN H 1 30 ASN HB3 4.080 . 4.080 3.377 2.572 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
850 1 30 ASN H 1 30 ASN HD21 4.710 . 4.710 4.156 3.688 4.758 0.048 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
851 1 30 ASN H 1 31 TYR H 4.450 . 4.450 4.017 3.863 4.127 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
852 1 30 ASN H 1 33 GLN HB2 5.330 . 5.330 4.867 4.570 5.236 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
853 1 30 ASN H 1 33 GLN HB3 5.500 . 5.500 5.543 5.504 5.604 0.104 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
854 1 30 ASN H 1 34 GLN HB2 5.500 . 5.500 5.540 5.507 5.613 0.113 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
855 1 30 ASN H 1 34 GLN HE21 4.000 . 4.000 2.802 2.387 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
856 1 30 ASN H 1 34 GLN QE 3.330 . 3.330 2.733 2.338 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
857 1 30 ASN H 1 34 GLN HE22 4.000 . 4.000 3.817 3.335 4.001 0.001 8 0 "[ . 1 . 2 . 3 . 4 .]" 1
858 1 30 ASN H 1 34 GLN QG 4.770 . 4.770 3.679 3.479 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
859 1 30 ASN HA 1 31 TYR H 3.540 . 3.540 2.279 2.186 2.357 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
860 1 30 ASN HA 1 31 TYR QB 4.840 . 4.840 4.292 3.980 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
861 1 30 ASN HA 1 32 GLU H 4.280 . 4.280 3.749 3.500 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
862 1 30 ASN QB 1 32 GLU H 4.370 . 4.370 3.961 3.578 4.479 0.109 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
863 1 30 ASN QB 1 33 GLN H 4.430 . 4.430 2.825 2.524 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
864 1 30 ASN QB 1 33 GLN HB2 4.270 . 4.270 2.123 1.948 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
865 1 30 ASN QB 1 33 GLN HB3 4.710 . 4.710 3.176 3.002 3.422 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
866 1 30 ASN QB 1 33 GLN QG 4.440 . 4.440 3.309 2.812 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
867 1 30 ASN QB 1 34 GLN H 4.280 . 4.280 3.537 3.353 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
868 1 30 ASN HB2 1 33 GLN HB2 5.020 . 5.020 2.863 2.328 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
869 1 30 ASN HB3 1 33 GLN HB2 5.020 . 5.020 2.220 2.033 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
870 1 30 ASN HD21 1 33 GLN H 5.130 . 5.130 4.760 1.839 5.166 0.036 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
871 1 30 ASN HD21 1 33 GLN HB2 4.350 . 4.350 3.471 2.693 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
872 1 30 ASN HD21 1 33 GLN QG 3.790 . 3.790 3.544 3.218 3.856 0.066 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
873 1 30 ASN HD22 1 33 GLN QG 4.620 . 4.620 4.279 3.060 4.752 0.132 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
874 1 31 TYR H 1 31 TYR HB2 3.770 . 3.770 3.021 2.480 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
875 1 31 TYR H 1 31 TYR QB 3.300 . 3.300 2.312 2.144 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
876 1 31 TYR H 1 31 TYR HB3 3.770 . 3.770 2.443 2.228 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
877 1 31 TYR H 1 31 TYR QD 4.270 . 4.270 3.338 1.975 4.265 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
878 1 31 TYR H 1 32 GLU H 3.620 . 3.620 2.964 2.778 3.159 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
879 1 31 TYR H 1 33 GLN H 4.710 . 4.710 4.623 4.493 4.728 0.018 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
880 1 31 TYR H 1 34 GLN QE 5.340 . 5.340 4.396 3.959 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
881 1 31 TYR HA 1 31 TYR QD 4.000 . 4.000 3.268 2.793 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
882 1 31 TYR HA 1 34 GLN H 4.020 . 4.020 3.473 3.255 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
883 1 31 TYR HA 1 34 GLN HB2 4.850 . 4.850 2.379 2.141 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
884 1 31 TYR HA 1 34 GLN HB3 4.650 . 4.650 3.900 3.628 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
885 1 31 TYR HA 1 34 GLN QE 5.260 . 5.260 3.721 3.344 4.085 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
886 1 31 TYR HA 1 34 GLN QG 5.340 . 5.340 3.549 3.277 3.867 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
887 1 31 TYR HA 1 35 GLN H 5.020 . 5.020 4.053 3.911 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
888 1 31 TYR HA 1 35 GLN QE 5.160 . 5.160 4.645 4.260 5.427 0.267 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
889 1 31 TYR HA 1 35 GLN HG2 4.660 . 4.660 4.177 4.050 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
890 1 31 TYR QB 1 32 GLU H 3.760 . 3.760 3.001 2.521 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
891 1 31 TYR QB 1 32 GLU QB 4.760 . 4.760 4.325 3.876 4.944 0.184 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
892 1 31 TYR HB2 1 35 GLN HG2 5.500 . 5.500 4.766 3.865 5.509 0.009 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
893 1 31 TYR HB3 1 35 GLN HG2 5.500 . 5.500 5.410 5.155 5.539 0.039 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
894 1 31 TYR QD 1 32 GLU H 3.960 . 3.960 3.094 2.666 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
895 1 31 TYR QD 1 32 GLU HA 3.550 . 3.550 3.150 3.014 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
896 1 31 TYR QD 1 32 GLU QB 3.880 . 3.880 3.397 2.862 3.866 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
897 1 31 TYR QD 1 32 GLU QG 4.410 . 4.410 4.330 3.703 4.503 0.093 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
898 1 31 TYR QD 1 33 GLN H 5.410 . 5.410 5.325 5.126 5.464 0.054 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
899 1 31 TYR QD 1 35 GLN HG2 4.500 . 4.500 3.896 3.494 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
900 1 31 TYR QD 1 35 GLN HG3 4.300 . 4.300 3.963 3.482 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
901 1 31 TYR QE 1 32 GLU HA 4.170 . 4.170 4.072 3.592 4.249 0.079 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
902 1 31 TYR QE 1 32 GLU QG 5.110 . 5.110 4.665 4.000 5.387 0.277 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
903 1 32 GLU H 1 32 GLU HB2 3.790 . 3.790 2.729 2.317 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
904 1 32 GLU H 1 32 GLU QB 3.110 . 3.110 2.298 2.161 2.663 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
905 1 32 GLU H 1 32 GLU HB3 3.790 . 3.790 2.594 2.452 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
906 1 32 GLU H 1 32 GLU QG 3.910 . 3.910 3.365 1.735 3.964 0.054 29 0 "[ . 1 . 2 . 3 . 4 .]" 1
907 1 32 GLU H 1 33 GLN H 3.390 . 3.390 2.756 2.538 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
908 1 32 GLU H 1 33 GLN HB2 4.980 . 4.980 4.560 4.314 4.718 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
909 1 32 GLU H 1 34 GLN H 4.700 . 4.700 3.967 3.759 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
910 1 32 GLU H 1 35 GLN H 5.420 . 5.420 4.740 4.579 4.961 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
911 1 32 GLU H 1 36 ILE MD 5.480 . 5.480 5.517 5.451 5.599 0.119 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
912 1 32 GLU HA 1 32 GLU QG 3.460 . 3.460 2.654 2.188 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
913 1 32 GLU HA 1 35 GLN H 3.950 . 3.950 3.431 3.187 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
914 1 32 GLU HA 1 35 GLN HG2 4.830 . 4.830 3.647 2.629 4.111 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
915 1 32 GLU HA 1 36 ILE MD 4.380 . 4.380 4.291 4.138 4.427 0.047 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
916 1 32 GLU QB 1 33 GLN H 3.420 . 3.420 2.659 2.183 3.430 0.010 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
917 1 32 GLU QB 1 33 GLN HA 5.340 . 5.340 4.177 4.014 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
918 1 32 GLU QB 1 36 ILE MD 4.110 . 4.110 3.577 3.066 3.831 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
919 1 32 GLU HB2 1 33 GLN H 3.950 . 3.950 3.703 3.460 3.893 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
920 1 32 GLU HB2 1 36 ILE MD 4.960 . 4.960 4.355 3.112 4.999 0.039 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
921 1 32 GLU HB3 1 33 GLN H 3.950 . 3.950 2.849 2.201 4.019 0.069 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
922 1 32 GLU HB3 1 36 ILE MD 4.960 . 4.960 4.129 3.719 4.863 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
923 1 32 GLU QG 1 33 GLN H 3.950 . 3.950 3.201 2.011 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
924 1 32 GLU QG 1 33 GLN HA 4.660 . 4.660 3.762 3.454 4.053 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
925 1 32 GLU QG 1 36 ILE MD 3.510 . 3.510 2.615 2.166 3.727 0.217 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
926 1 33 GLN H 1 33 GLN HB2 3.460 . 3.460 2.074 2.001 2.155 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
927 1 33 GLN H 1 33 GLN HB3 3.620 . 3.620 3.382 3.273 3.472 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
928 1 33 GLN H 1 33 GLN HE21 5.080 . 5.080 4.993 4.543 5.136 0.056 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
929 1 33 GLN H 1 33 GLN QG 3.740 . 3.740 3.124 2.822 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
930 1 33 GLN H 1 34 GLN H 3.520 . 3.520 2.636 2.524 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
931 1 33 GLN H 1 35 GLN H 5.360 . 5.360 4.281 4.161 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
932 1 33 GLN H 1 36 ILE MD 3.870 . 3.870 3.876 3.821 3.947 0.077 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
933 1 33 GLN HA 1 33 GLN HE21 4.870 . 4.870 3.025 2.410 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
934 1 33 GLN HA 1 33 GLN QG 3.380 . 3.380 2.655 2.504 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
935 1 33 GLN HA 1 35 GLN H 5.170 . 5.170 4.439 4.289 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
936 1 33 GLN HA 1 35 GLN QB 5.500 . 5.500 5.009 4.875 5.396 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
937 1 33 GLN HA 1 36 ILE H 4.050 . 4.050 3.351 3.188 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
938 1 33 GLN HA 1 36 ILE HB 3.680 . 3.680 2.636 2.505 2.745 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
939 1 33 GLN HA 1 36 ILE MD 3.100 . 3.100 2.015 1.917 2.152 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
940 1 33 GLN HA 1 36 ILE MG 4.330 . 4.330 4.026 3.878 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
941 1 33 GLN HA 1 37 LEU H 4.490 . 4.490 4.105 3.909 4.282 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
942 1 33 GLN HB2 1 34 GLN H 4.270 . 4.270 3.046 2.801 3.236 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
943 1 33 GLN HB2 1 36 ILE MD 4.400 . 4.400 4.419 4.290 4.559 0.159 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
944 1 33 GLN HB3 1 33 GLN HE22 4.880 . 4.880 3.919 3.599 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
945 1 33 GLN HB3 1 34 GLN H 4.100 . 4.100 3.213 3.036 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
946 1 33 GLN HB3 1 34 GLN HA 5.260 . 5.260 4.006 3.890 4.113 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
947 1 33 GLN HE21 1 36 ILE HB 4.910 . 4.910 3.945 3.272 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
948 1 33 GLN HE21 1 36 ILE MD 4.190 . 4.190 3.767 2.085 4.425 0.235 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
949 1 33 GLN HE21 1 36 ILE MG 4.670 . 4.670 4.338 3.394 4.779 0.109 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
950 1 33 GLN HE21 1 37 LEU H 5.500 . 5.500 4.869 4.056 5.541 0.041 24 0 "[ . 1 . 2 . 3 . 4 .]" 1
951 1 33 GLN HE22 1 33 GLN QG 3.550 . 3.550 3.408 3.257 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
952 1 33 GLN HE22 1 36 ILE MD 3.660 . 3.660 3.519 2.854 3.903 0.243 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
953 1 33 GLN HE22 1 36 ILE MG 3.510 . 3.510 3.324 2.643 3.650 0.140 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
954 1 33 GLN QG 1 34 GLN H 4.620 . 4.620 4.549 4.412 4.676 0.056 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
955 1 33 GLN QG 1 36 ILE MD 4.040 . 4.040 3.322 3.129 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
956 1 34 GLN H 1 34 GLN HB2 3.860 . 3.860 2.296 2.241 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
957 1 34 GLN H 1 34 GLN HB3 4.030 . 4.030 3.565 3.541 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
958 1 34 GLN H 1 34 GLN HG2 4.460 . 4.460 3.809 3.592 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
959 1 34 GLN H 1 34 GLN QG 3.750 . 3.750 2.535 2.361 2.601 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
960 1 34 GLN H 1 34 GLN HG3 4.460 . 4.460 2.574 2.395 2.643 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
961 1 34 GLN H 1 35 GLN H 3.560 . 3.560 2.748 2.635 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
962 1 34 GLN H 1 35 GLN QB 5.150 . 5.150 4.686 4.550 5.041 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
963 1 34 GLN H 1 35 GLN HG2 5.500 . 5.500 4.655 4.350 4.937 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
964 1 34 GLN H 1 36 ILE MD 4.940 . 4.940 4.933 4.833 4.975 0.035 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
965 1 34 GLN HA 1 37 LEU H 4.530 . 4.530 3.556 3.333 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
966 1 34 GLN HA 1 37 LEU HB2 4.920 . 4.920 3.968 3.532 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
967 1 34 GLN HA 1 37 LEU HB3 4.920 . 4.920 3.015 2.819 3.245 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
968 1 34 GLN HA 1 37 LEU QD 5.140 . 5.140 3.637 3.335 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
969 1 34 GLN HA 1 38 ILE MD 5.500 . 5.500 4.097 3.998 4.254 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
970 1 34 GLN HB2 1 35 GLN H 4.030 . 4.030 2.653 2.582 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
971 1 34 GLN HB2 1 38 ILE MD 4.280 . 4.280 3.983 3.657 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
972 1 34 GLN HB3 1 35 GLN H 4.610 . 4.610 3.411 3.298 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
973 1 34 GLN HB3 1 38 ILE MD 3.820 . 3.820 2.810 2.686 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
974 1 34 GLN QG 1 35 GLN H 5.040 . 5.040 4.286 4.245 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
975 1 35 GLN H 1 35 GLN QB 3.300 . 3.300 2.372 2.185 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
976 1 35 GLN H 1 35 GLN QE 4.230 . 4.230 3.927 3.662 4.257 0.027 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
977 1 35 GLN H 1 35 GLN HG2 3.600 . 3.600 2.318 2.151 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
978 1 35 GLN H 1 35 GLN HG3 3.550 . 3.550 3.573 3.480 3.634 0.084 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
979 1 35 GLN H 1 36 ILE H 3.680 . 3.680 2.700 2.620 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
980 1 35 GLN H 1 36 ILE HA 5.500 . 5.500 5.342 5.280 5.413 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
981 1 35 GLN H 1 36 ILE HB 5.380 . 5.380 4.885 4.774 4.985 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
982 1 35 GLN H 1 36 ILE HG13 4.430 . 4.430 4.446 4.414 4.490 0.060 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
983 1 35 GLN H 1 37 LEU H 4.910 . 4.910 4.305 4.163 4.380 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
984 1 35 GLN H 1 38 ILE H 5.500 . 5.500 4.699 4.633 4.771 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
985 1 35 GLN H 1 38 ILE HB 5.500 . 5.500 4.986 4.806 5.140 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
986 1 35 GLN H 1 38 ILE MD 4.290 . 4.290 3.918 3.759 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
987 1 35 GLN HA 1 35 GLN HE21 4.850 . 4.850 3.578 3.373 3.993 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
988 1 35 GLN HA 1 35 GLN HE22 4.850 . 4.850 3.851 3.663 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
989 1 35 GLN HA 1 35 GLN HG3 4.070 . 4.070 3.731 3.622 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
990 1 35 GLN HA 1 37 LEU H 5.110 . 5.110 4.466 4.223 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
991 1 35 GLN HA 1 38 ILE H 4.320 . 4.320 3.308 3.179 3.443 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
992 1 35 GLN HA 1 38 ILE HA 5.500 . 5.500 5.210 5.100 5.356 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
993 1 35 GLN HA 1 38 ILE HB 3.670 . 3.670 2.380 2.233 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
994 1 35 GLN HA 1 38 ILE MD 3.260 . 3.260 2.338 2.125 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
995 1 35 GLN HA 1 39 ARG H 4.570 . 4.570 3.946 3.794 4.079 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
996 1 35 GLN QB 1 36 ILE H 3.810 . 3.810 2.516 2.455 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
997 1 35 GLN QB 1 36 ILE MD 5.260 . 5.260 4.352 4.223 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
998 1 35 GLN QB 1 38 ILE HB 4.510 . 4.510 4.144 3.892 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
999 1 35 GLN QB 1 38 ILE MD 4.480 . 4.480 4.158 3.962 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1000 1 35 GLN QE 1 35 GLN HG2 3.450 . 3.450 2.188 2.096 3.302 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1001 1 35 GLN QE 1 35 GLN HG3 3.440 . 3.440 2.983 2.284 3.138 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1002 1 35 GLN QE 1 38 ILE MD 3.260 . 3.260 2.870 2.625 3.099 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1003 1 35 GLN HE21 1 38 ILE MD 3.840 . 3.840 3.288 2.969 3.893 0.053 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
1004 1 35 GLN HE22 1 38 ILE MD 3.840 . 3.840 3.182 2.856 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1005 1 35 GLN HG2 1 36 ILE H 4.770 . 4.770 4.383 3.904 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1006 1 35 GLN HG2 1 38 ILE MD 4.890 . 4.890 3.870 3.625 4.883 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1007 1 35 GLN HG3 1 36 ILE H 4.810 . 4.810 4.856 4.821 4.951 0.141 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1008 1 35 GLN HG3 1 38 ILE MD 5.260 . 5.260 4.948 4.740 5.183 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1009 1 36 ILE H 1 36 ILE HB 3.410 . 3.410 2.501 2.406 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1010 1 36 ILE H 1 36 ILE MD 3.790 . 3.790 3.304 3.247 3.366 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1011 1 36 ILE H 1 36 ILE HG12 3.820 . 3.820 3.635 3.517 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1012 1 36 ILE H 1 36 ILE HG13 3.380 . 3.380 2.187 2.127 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1013 1 36 ILE H 1 36 ILE MG 3.890 . 3.890 3.820 3.777 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1014 1 36 ILE H 1 37 LEU H 3.760 . 3.760 2.806 2.721 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1015 1 36 ILE HA 1 36 ILE MD 3.960 . 3.960 3.934 3.899 3.973 0.013 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1016 1 36 ILE HA 1 36 ILE HG12 3.690 . 3.690 2.708 2.580 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1017 1 36 ILE HA 1 36 ILE HG13 3.580 . 3.580 2.783 2.734 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1018 1 36 ILE HA 1 36 ILE MG 2.950 . 2.950 2.496 2.446 2.560 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1019 1 36 ILE HA 1 39 ARG H 4.210 . 4.210 3.462 3.344 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1020 1 36 ILE HA 1 39 ARG HA 5.500 . 5.500 5.522 5.419 5.652 0.152 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1021 1 36 ILE HA 1 39 ARG QB 3.740 . 3.740 2.987 2.719 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1022 1 36 ILE HA 1 39 ARG HD2 4.890 . 4.890 3.543 2.000 4.892 0.002 8 0 "[ . 1 . 2 . 3 . 4 .]" 1
1023 1 36 ILE HA 1 39 ARG QD 4.250 . 4.250 2.883 1.992 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1024 1 36 ILE HA 1 39 ARG HD3 4.890 . 4.890 3.674 2.192 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1025 1 36 ILE HA 1 39 ARG HG2 4.770 . 4.770 4.341 2.188 4.895 0.125 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1026 1 36 ILE HA 1 39 ARG QG 4.030 . 4.030 3.086 2.177 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1027 1 36 ILE HA 1 39 ARG HG3 4.770 . 4.770 3.415 2.481 4.323 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1028 1 36 ILE HA 1 40 GLN H 5.260 . 5.260 4.468 4.263 4.720 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1029 1 36 ILE HB 1 36 ILE MD 2.910 . 2.910 2.339 2.287 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1030 1 36 ILE HB 1 37 LEU H 3.550 . 3.550 2.656 2.570 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1031 1 36 ILE MD 1 36 ILE MG 2.450 . 2.450 2.174 2.071 2.250 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1032 1 36 ILE MD 1 37 LEU H 4.470 . 4.470 4.489 4.409 4.569 0.099 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1033 1 36 ILE HG12 1 36 ILE MG 3.010 . 3.010 2.298 2.247 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1034 1 36 ILE HG13 1 36 ILE MG 3.320 . 3.320 3.214 3.181 3.286 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1035 1 36 ILE MG 1 37 LEU H 3.670 . 3.670 3.399 3.280 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1036 1 36 ILE MG 1 37 LEU HA 3.770 . 3.770 3.437 3.268 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1037 1 36 ILE MG 1 39 ARG H 5.250 . 5.250 4.789 4.659 4.916 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1038 1 36 ILE MG 1 40 GLN H 4.930 . 4.930 4.426 4.189 4.632 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1039 1 36 ILE MG 1 40 GLN HE21 3.580 . 3.580 2.622 1.948 3.732 0.152 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1040 1 36 ILE MG 1 40 GLN HE22 4.990 . 4.990 3.606 2.699 5.064 0.074 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1041 1 37 LEU H 1 37 LEU HB2 3.760 . 3.760 2.562 2.365 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1042 1 37 LEU H 1 37 LEU QB 3.280 . 3.280 2.218 2.187 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1043 1 37 LEU H 1 37 LEU HB3 3.760 . 3.760 2.433 2.379 2.676 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1044 1 37 LEU H 1 37 LEU MD1 4.460 . 4.460 4.208 4.133 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1045 1 37 LEU H 1 37 LEU QD 3.900 . 3.900 3.749 3.688 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1046 1 37 LEU H 1 37 LEU MD2 4.460 . 4.460 4.210 4.124 4.320 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1047 1 37 LEU H 1 37 LEU HG 4.400 . 4.400 4.432 4.405 4.488 0.088 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1048 1 37 LEU H 1 38 ILE H 3.890 . 3.890 2.654 2.479 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1049 1 37 LEU HA 1 37 LEU MD1 3.990 . 3.990 2.225 2.039 3.852 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1050 1 37 LEU HA 1 37 LEU QD 2.780 . 2.780 2.191 2.031 2.812 0.032 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
1051 1 37 LEU HA 1 37 LEU MD2 3.990 . 3.990 3.843 2.890 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1052 1 37 LEU HA 1 40 GLN H 3.990 . 3.990 3.454 3.266 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1053 1 37 LEU HA 1 40 GLN HB2 4.230 . 4.230 3.068 2.765 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1054 1 37 LEU HA 1 41 LEU MD1 5.310 . 5.310 4.509 3.837 4.969 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1055 1 37 LEU HA 1 41 LEU QD 4.680 . 4.680 4.225 3.674 4.569 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1056 1 37 LEU HA 1 41 LEU MD2 5.310 . 5.310 5.122 4.453 5.497 0.187 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1057 1 37 LEU QB 1 37 LEU QD 2.590 . 2.590 1.964 1.929 1.997 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1058 1 37 LEU QB 1 38 ILE H 3.920 . 3.920 2.583 2.354 2.730 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1059 1 37 LEU QB 1 38 ILE MD 5.340 . 5.340 4.494 4.251 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1060 1 37 LEU QB 1 41 LEU QD 4.600 . 4.600 3.811 3.642 4.057 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1061 1 37 LEU HB2 1 37 LEU MD1 3.330 . 3.330 2.471 2.288 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1062 1 37 LEU HB2 1 37 LEU MD2 3.330 . 3.330 2.419 2.319 3.222 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1063 1 37 LEU HB2 1 38 ILE H 4.750 . 4.750 3.932 3.664 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1064 1 37 LEU HB3 1 37 LEU MD1 3.330 . 3.330 3.238 2.440 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1065 1 37 LEU HB3 1 37 LEU MD2 3.330 . 3.330 2.293 2.242 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1066 1 37 LEU HB3 1 38 ILE H 4.750 . 4.750 2.620 2.383 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1067 1 37 LEU QD 1 38 ILE H 4.040 . 4.040 3.921 3.248 4.058 0.018 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1068 1 37 LEU QD 1 38 ILE HA 4.650 . 4.650 4.182 2.856 4.402 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1069 1 37 LEU QD 1 40 GLN H 4.310 . 4.310 4.218 3.983 4.383 0.073 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
1070 1 37 LEU QD 1 40 GLN HB2 3.540 . 3.540 2.825 2.516 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1071 1 37 LEU QD 1 40 GLN QG 4.400 . 4.400 3.864 2.920 4.509 0.109 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
1072 1 37 LEU QD 1 41 LEU H 3.890 . 3.890 3.715 3.324 3.980 0.090 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1073 1 37 LEU QD 1 41 LEU HA 4.880 . 4.880 4.737 4.326 4.986 0.106 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1074 1 37 LEU QD 1 41 LEU QD 2.650 . 2.650 2.372 1.876 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1075 1 37 LEU QD 1 41 LEU HG 4.690 . 4.690 3.368 2.410 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1076 1 37 LEU QD 2 71 VAL QG 2.790 . 2.790 2.182 1.920 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1077 1 37 LEU QD 2 75 HIS HE1 4.800 . 4.800 3.114 2.024 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1078 1 37 LEU MD1 1 38 ILE H 4.660 . 4.660 4.458 4.347 4.602 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1079 1 37 LEU MD1 1 38 ILE HA 5.500 . 5.500 4.600 4.350 5.033 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1080 1 37 LEU MD1 1 41 LEU MD1 4.340 . 4.340 2.847 2.188 4.100 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1081 1 37 LEU MD1 1 41 LEU MD2 4.340 . 4.340 3.086 2.886 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1082 1 37 LEU MD1 2 71 VAL QG 3.630 . 3.630 2.227 1.934 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1083 1 37 LEU MD2 1 38 ILE H 4.660 . 4.660 4.362 3.339 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1084 1 37 LEU MD2 1 38 ILE HA 5.500 . 5.500 4.879 2.873 5.179 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1085 1 37 LEU MD2 1 41 LEU MD1 4.340 . 4.340 3.220 2.171 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1086 1 37 LEU MD2 1 41 LEU MD2 4.340 . 4.340 3.649 2.068 4.321 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1087 1 37 LEU MD2 2 71 VAL QG 3.630 . 3.630 3.408 2.513 3.650 0.020 1 0 "[ . 1 . 2 . 3 . 4 .]" 1
1088 1 37 LEU HG 1 38 ILE HA 5.310 . 5.310 3.740 3.484 5.328 0.018 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
1089 1 37 LEU HG 1 41 LEU MD1 4.490 . 4.490 2.651 2.204 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1090 1 37 LEU HG 1 41 LEU QD 3.690 . 3.690 2.367 2.164 3.737 0.047 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
1091 1 37 LEU HG 1 41 LEU MD2 4.490 . 4.490 3.286 2.204 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1092 1 38 ILE H 1 38 ILE HB 3.610 . 3.610 2.443 2.387 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1093 1 38 ILE H 1 38 ILE MD 3.580 . 3.580 3.405 3.341 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1094 1 38 ILE H 1 38 ILE HG12 4.220 . 4.220 3.739 3.575 3.884 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1095 1 38 ILE H 1 38 ILE QG 3.620 . 3.620 2.317 2.152 2.439 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1096 1 38 ILE H 1 38 ILE HG13 4.220 . 4.220 2.340 2.170 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1097 1 38 ILE H 1 38 ILE MG 4.330 . 4.330 3.805 3.771 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1098 1 38 ILE H 1 39 ARG H 3.790 . 3.790 2.770 2.679 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1099 1 38 ILE H 1 39 ARG QB 4.750 . 4.750 4.753 4.617 4.880 0.130 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1100 1 38 ILE H 1 41 LEU QD 4.780 . 4.780 4.142 3.950 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1101 1 38 ILE HA 1 38 ILE MD 4.020 . 4.020 3.886 3.842 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1102 1 38 ILE HA 1 38 ILE HG12 4.050 . 4.050 2.626 2.560 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1103 1 38 ILE HA 1 38 ILE HG13 4.050 . 4.050 2.708 2.617 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1104 1 38 ILE HA 1 38 ILE MG 3.300 . 3.300 2.522 2.482 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1105 1 38 ILE HA 1 40 GLN H 5.030 . 5.030 4.396 4.273 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1106 1 38 ILE HA 1 41 LEU H 4.100 . 4.100 3.310 3.206 3.386 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1107 1 38 ILE HA 1 41 LEU HA 5.440 . 5.440 5.228 5.045 5.399 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1108 1 38 ILE HA 1 41 LEU HB2 4.390 . 4.390 2.415 2.232 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1109 1 38 ILE HA 1 41 LEU QB 3.850 . 3.850 2.391 2.198 2.596 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1110 1 38 ILE HA 1 41 LEU HB3 4.390 . 4.390 3.881 3.000 4.209 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1111 1 38 ILE HA 1 41 LEU MD1 4.670 . 4.670 2.925 2.116 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1112 1 38 ILE HA 1 41 LEU QD 3.410 . 3.410 2.423 2.113 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1113 1 38 ILE HA 1 41 LEU MD2 4.670 . 4.670 3.921 2.436 4.702 0.032 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1114 1 38 ILE HA 1 41 LEU HG 5.500 . 5.500 4.013 3.159 5.249 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1115 1 38 ILE HB 1 38 ILE MD 3.170 . 3.170 2.347 2.272 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1116 1 38 ILE HB 1 39 ARG H 3.780 . 3.780 2.815 2.737 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1117 1 38 ILE MD 1 39 ARG H 4.660 . 4.660 4.678 4.611 4.756 0.096 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1118 1 38 ILE QG 1 38 ILE MG 2.830 . 2.830 2.246 2.151 2.314 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1119 1 38 ILE QG 1 41 LEU QD 4.190 . 4.190 3.130 2.817 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1120 1 38 ILE MG 1 39 ARG H 3.770 . 3.770 3.406 3.284 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1121 1 38 ILE MG 1 39 ARG QG 5.190 . 5.190 4.040 3.609 5.216 0.026 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1122 1 38 ILE MG 1 41 LEU H 4.830 . 4.830 4.611 4.478 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1123 1 38 ILE MG 1 41 LEU HB2 4.770 . 4.770 3.664 3.445 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1124 1 38 ILE MG 1 41 LEU QB 4.200 . 4.200 3.485 3.266 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1125 1 38 ILE MG 1 41 LEU HB3 4.770 . 4.770 4.500 3.481 4.774 0.004 1 0 "[ . 1 . 2 . 3 . 4 .]" 1
1126 1 38 ILE MG 1 41 LEU QD 4.090 . 4.090 3.727 3.467 4.275 0.185 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1127 1 38 ILE MG 1 42 GLN H 4.710 . 4.710 3.777 3.651 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1128 1 38 ILE MG 1 42 GLN QB 4.830 . 4.830 3.843 3.638 4.116 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1129 1 38 ILE MG 1 42 GLN QE 4.170 . 4.170 2.555 2.053 3.748 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1130 1 38 ILE MG 1 42 GLN QG 4.480 . 4.480 2.411 2.242 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1131 1 39 ARG H 1 39 ARG QB 3.110 . 3.110 2.388 2.223 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1132 1 39 ARG H 1 39 ARG HD2 5.500 . 5.500 4.471 3.494 5.081 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1133 1 39 ARG H 1 39 ARG HD3 5.500 . 5.500 4.569 3.716 5.103 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1134 1 39 ARG H 1 39 ARG HG2 3.930 . 3.930 3.342 2.596 3.862 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1135 1 39 ARG H 1 39 ARG QG 3.300 . 3.300 2.486 2.314 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1136 1 39 ARG H 1 39 ARG HG3 3.930 . 3.930 2.778 2.362 4.015 0.085 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1137 1 39 ARG H 1 40 GLN H 3.300 . 3.300 2.795 2.692 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1138 1 39 ARG H 1 41 LEU H 4.260 . 4.260 4.189 4.085 4.263 0.003 29 0 "[ . 1 . 2 . 3 . 4 .]" 1
1139 1 39 ARG HA 1 39 ARG HD2 4.880 . 4.880 4.634 4.219 4.799 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1140 1 39 ARG HA 1 39 ARG QD 4.260 . 4.260 4.067 3.850 4.297 0.037 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1141 1 39 ARG HA 1 39 ARG HD3 4.880 . 4.880 4.517 4.162 4.884 0.004 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1142 1 39 ARG HA 1 39 ARG HG2 3.860 . 3.860 2.705 2.277 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1143 1 39 ARG HA 1 39 ARG HG3 3.860 . 3.860 3.210 2.703 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1144 1 39 ARG HA 1 41 LEU H 5.500 . 5.500 4.460 4.258 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1145 1 39 ARG HA 1 42 GLN H 4.450 . 4.450 3.454 3.176 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1146 1 39 ARG HA 1 42 GLN QB 4.430 . 4.430 2.821 2.465 3.135 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1147 1 39 ARG QB 1 39 ARG HD2 3.910 . 3.910 2.701 2.094 3.368 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1148 1 39 ARG QB 1 39 ARG QD 3.230 . 3.230 2.182 2.002 2.386 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1149 1 39 ARG QB 1 39 ARG HD3 3.910 . 3.910 2.414 2.154 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1150 1 39 ARG QB 1 40 GLN H 3.410 . 3.410 2.731 2.413 3.559 0.149 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1151 1 39 ARG QB 1 41 LEU H 5.200 . 5.200 4.752 4.557 5.212 0.012 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1152 1 39 ARG QB 1 42 GLN H 5.500 . 5.500 4.872 4.752 5.038 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1153 1 39 ARG QG 1 40 GLN H 4.570 . 4.570 3.878 2.253 4.325 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1154 1 40 GLN H 1 40 GLN HB2 3.440 . 3.440 2.479 2.389 2.750 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1155 1 40 GLN H 1 40 GLN HE21 4.910 . 4.910 3.995 2.889 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1156 1 40 GLN H 1 40 GLN HG2 3.830 . 3.830 3.130 2.072 3.659 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1157 1 40 GLN H 1 40 GLN QG 3.100 . 3.100 2.249 2.060 2.513 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1158 1 40 GLN H 1 40 GLN HG3 3.830 . 3.830 2.698 2.100 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1159 1 40 GLN H 1 41 LEU H 3.440 . 3.440 2.616 2.536 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1160 1 40 GLN H 1 41 LEU QD 5.130 . 5.130 4.604 4.122 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1161 1 40 GLN HA 1 41 LEU HA 4.900 . 4.900 4.809 4.755 4.864 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1162 1 40 GLN HA 1 41 LEU QD 5.440 . 5.440 5.170 4.646 5.466 0.026 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1163 1 40 GLN HA 1 43 GLU H 4.270 . 4.270 3.619 3.413 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1164 1 40 GLN HB2 1 41 LEU H 3.830 . 3.830 2.520 2.320 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1165 1 40 GLN HB2 1 41 LEU QD 4.360 . 4.360 3.613 2.731 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1166 1 40 GLN HB3 1 41 LEU H 4.160 . 4.160 3.578 3.397 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1167 1 40 GLN HE22 1 40 GLN QG 3.600 . 3.600 3.240 3.188 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1168 1 40 GLN QG 1 41 LEU H 4.190 . 4.190 4.017 3.714 4.161 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1169 1 40 GLN QG 1 41 LEU QD 5.280 . 5.280 4.922 4.076 5.356 0.076 24 0 "[ . 1 . 2 . 3 . 4 .]" 1
1170 1 40 GLN HG2 1 41 LEU H 4.940 . 4.940 4.743 3.868 4.990 0.050 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1171 1 40 GLN HG3 1 41 LEU H 4.940 . 4.940 4.443 4.029 4.943 0.003 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1172 1 41 LEU H 1 41 LEU QB 3.630 . 3.630 2.260 1.911 2.460 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1173 1 41 LEU H 1 41 LEU QD 3.310 . 3.310 2.970 2.472 3.225 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1174 1 41 LEU H 1 41 LEU HG 4.440 . 4.440 3.156 2.290 4.451 0.011 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
1175 1 41 LEU H 1 44 GLN QB 5.000 . 5.000 5.036 4.975 5.234 0.234 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1176 1 41 LEU H 1 44 GLN QG 5.340 . 5.340 5.301 5.071 5.506 0.166 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1177 1 41 LEU H 2 71 VAL QG 5.430 . 5.430 4.893 4.438 5.334 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1178 1 41 LEU HA 1 41 LEU MD1 3.960 . 3.960 3.222 2.015 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1179 1 41 LEU HA 1 41 LEU QD 2.780 . 2.780 2.135 2.007 2.223 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1180 1 41 LEU HA 1 41 LEU MD2 3.960 . 3.960 2.793 2.114 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1181 1 41 LEU HA 1 41 LEU HG 4.220 . 4.220 2.942 2.680 3.138 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1182 1 41 LEU HA 1 44 GLN H 4.390 . 4.390 3.681 3.490 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1183 1 41 LEU HA 1 44 GLN QB 4.550 . 4.550 2.773 2.620 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1184 1 41 LEU HA 1 44 GLN HE21 5.500 . 5.500 3.224 2.448 5.027 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1185 1 41 LEU HA 1 44 GLN QG 4.990 . 4.990 4.064 3.736 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1186 1 41 LEU HA 1 45 HIS H 4.730 . 4.730 3.792 3.606 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1187 1 41 LEU HA 2 67 VAL QG 3.630 . 3.630 2.577 2.278 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1188 1 41 LEU HA 2 68 LEU QD 5.400 . 5.400 4.676 4.129 5.432 0.032 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
1189 1 41 LEU HA 2 71 VAL QG 4.700 . 4.700 4.243 3.581 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1190 1 41 LEU QB 1 41 LEU QD 2.770 . 2.770 1.943 1.883 1.999 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1191 1 41 LEU HB2 1 41 LEU MD1 3.560 . 3.560 2.387 2.156 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1192 1 41 LEU HB2 1 41 LEU MD2 3.560 . 3.560 2.846 2.113 3.236 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1193 1 41 LEU HB2 1 42 GLN H 4.540 . 4.540 2.789 2.624 3.339 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1194 1 41 LEU HB3 1 41 LEU MD1 3.560 . 3.560 2.740 2.367 3.254 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1195 1 41 LEU HB3 1 41 LEU MD2 3.560 . 3.560 2.366 2.239 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1196 1 41 LEU HB3 1 42 GLN H 4.540 . 4.540 3.420 2.827 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1197 1 41 LEU QD 1 42 GLN H 4.810 . 4.810 4.112 3.979 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1198 1 41 LEU QD 1 44 GLN H 5.290 . 5.290 5.019 4.753 5.216 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1199 1 41 LEU QD 1 44 GLN QB 4.080 . 4.080 3.725 3.585 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1200 1 41 LEU QD 1 44 GLN HE21 5.070 . 5.070 3.448 2.604 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1201 1 41 LEU QD 1 44 GLN HE22 4.590 . 4.590 3.418 2.640 4.243 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1202 1 41 LEU QD 1 44 GLN QG 4.720 . 4.720 4.659 4.397 5.009 0.289 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1203 1 41 LEU QD 2 67 VAL HA 4.890 . 4.890 4.864 4.523 5.146 0.256 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
1204 1 41 LEU QD 2 67 VAL HB 4.750 . 4.750 4.108 3.658 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1205 1 41 LEU QD 2 67 VAL QG 3.440 . 3.440 2.236 1.984 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1206 1 41 LEU QD 2 68 LEU H 4.890 . 4.890 4.372 3.986 4.952 0.062 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1207 1 41 LEU QD 2 68 LEU HA 3.720 . 3.720 3.082 2.670 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1208 1 41 LEU QD 2 68 LEU HB3 5.250 . 5.250 4.584 4.117 5.159 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1209 1 41 LEU QD 2 68 LEU HG 4.400 . 4.400 3.593 2.591 4.436 0.036 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1210 1 41 LEU QD 2 71 VAL H 4.490 . 4.490 4.379 4.030 4.606 0.116 23 0 "[ . 1 . 2 . 3 . 4 .]" 1
1211 1 41 LEU QD 2 71 VAL HB 3.430 . 3.430 2.983 2.664 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1212 1 41 LEU QD 2 71 VAL QG 2.520 . 2.520 1.960 1.857 2.095 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1213 1 41 LEU MD1 1 42 GLN H 5.500 . 5.500 4.520 4.410 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1214 1 41 LEU MD1 2 68 LEU HA 4.530 . 4.530 4.162 2.728 4.636 0.106 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
1215 1 41 LEU MD1 2 68 LEU HG 5.180 . 5.180 4.486 3.083 5.253 0.073 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1216 1 41 LEU MD2 1 42 GLN H 5.500 . 5.500 4.735 4.428 4.857 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1217 1 41 LEU MD2 2 68 LEU HA 4.530 . 4.530 3.351 2.696 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1218 1 41 LEU MD2 2 68 LEU HG 5.180 . 5.180 3.846 2.786 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1219 1 41 LEU HG 2 68 LEU QD 3.810 . 3.810 3.551 2.126 4.299 0.489 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1220 1 42 GLN H 1 42 GLN HB2 4.140 . 4.140 2.392 2.151 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1221 1 42 GLN H 1 42 GLN HB3 4.140 . 4.140 3.596 3.483 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1222 1 42 GLN H 1 42 GLN HG2 4.570 . 4.570 3.482 2.387 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1223 1 42 GLN H 1 42 GLN QG 3.930 . 3.930 2.400 2.287 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1224 1 42 GLN H 1 42 GLN HG3 4.570 . 4.570 2.654 2.314 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1225 1 42 GLN H 1 43 GLU H 3.980 . 3.980 2.737 2.626 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1226 1 42 GLN H 1 44 GLN H 4.570 . 4.570 4.359 4.236 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1227 1 42 GLN HA 1 45 HIS H 5.040 . 5.040 3.575 3.228 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1228 1 42 GLN HB2 1 43 GLU H 4.600 . 4.600 2.659 2.447 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1229 1 42 GLN HB3 1 43 GLU H 4.600 . 4.600 3.559 3.266 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1230 1 43 GLU H 1 43 GLU HB2 3.320 . 3.320 2.668 2.527 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1231 1 43 GLU H 1 43 GLU HB3 3.400 . 3.400 2.363 2.303 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1232 1 43 GLU H 1 43 GLU HG2 4.330 . 4.330 4.350 4.272 4.394 0.064 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1233 1 43 GLU H 1 44 GLN H 3.440 . 3.440 2.692 2.551 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1234 1 43 GLU HA 1 43 GLU HG2 3.680 . 3.680 3.459 3.340 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1235 1 43 GLU HA 1 43 GLU HG3 3.660 . 3.660 2.505 2.394 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1236 1 43 GLU HA 1 46 TYR H 5.050 . 5.050 3.498 3.175 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1237 1 43 GLU HA 1 46 TYR HB2 4.510 . 4.510 3.903 3.560 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1238 1 43 GLU HA 1 46 TYR HB3 4.730 . 4.730 2.965 2.515 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1239 1 43 GLU HA 1 47 GLN H 4.670 . 4.670 4.190 3.943 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1240 1 43 GLU HB3 1 44 GLN H 3.420 . 3.420 2.468 2.300 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1241 1 43 GLU HG2 1 44 GLN H 3.800 . 3.800 3.342 3.089 3.801 0.001 1 0 "[ . 1 . 2 . 3 . 4 .]" 1
1242 1 43 GLU HG2 1 44 GLN HA 3.960 . 3.960 3.523 3.146 3.985 0.025 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
1243 1 43 GLU HG2 1 47 GLN H 5.500 . 5.500 4.818 4.535 5.343 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1244 1 43 GLU HG3 1 44 GLN H 4.170 . 4.170 4.177 3.981 4.235 0.065 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1245 1 43 GLU HG3 1 44 GLN HA 4.480 . 4.480 4.406 3.989 4.510 0.030 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1246 1 43 GLU HG3 1 46 TYR HB3 4.930 . 4.930 4.086 3.416 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1247 1 43 GLU HG3 1 47 GLN H 4.880 . 4.880 4.397 3.755 4.824 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1248 1 44 GLN H 1 44 GLN QB 3.260 . 3.260 2.360 2.257 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1249 1 44 GLN H 1 44 GLN HE21 5.210 . 5.210 3.728 3.401 5.084 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1250 1 44 GLN H 1 44 GLN HG2 3.800 . 3.800 3.566 3.416 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1251 1 44 GLN H 1 44 GLN QG 3.240 . 3.240 2.333 2.221 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1252 1 44 GLN H 1 44 GLN HG3 3.800 . 3.800 2.366 2.244 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1253 1 44 GLN H 1 45 HIS H 3.660 . 3.660 2.724 2.540 2.790 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1254 1 44 GLN H 1 47 GLN H 5.240 . 5.240 4.801 4.673 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1255 1 44 GLN H 2 67 VAL QG 4.870 . 4.870 3.892 3.722 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1256 1 44 GLN HA 1 44 GLN QG 2.910 . 2.910 2.375 2.296 2.440 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1257 1 44 GLN HA 1 47 GLN H 4.200 . 4.200 3.346 3.170 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1258 1 44 GLN HA 1 48 GLN H 4.830 . 4.830 3.879 3.673 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1259 1 44 GLN HA 2 67 VAL QG 4.270 . 4.270 3.730 3.608 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1260 1 44 GLN QB 1 44 GLN HE21 4.120 . 4.120 2.749 1.823 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1261 1 44 GLN QB 1 44 GLN HE22 4.590 . 4.590 3.595 3.219 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1262 1 44 GLN QB 2 67 VAL HA 4.370 . 4.370 4.116 3.873 4.371 0.001 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1263 1 44 GLN QB 2 67 VAL QG 3.100 . 3.100 1.958 1.866 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1264 1 44 GLN HB2 1 45 HIS H 4.280 . 4.280 2.707 2.608 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1265 1 44 GLN HB3 1 45 HIS H 4.280 . 4.280 3.619 3.494 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1266 1 44 GLN HE21 1 45 HIS H 5.500 . 5.500 5.246 4.433 5.575 0.075 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1267 1 44 GLN HE21 2 67 VAL QG 5.170 . 5.170 3.406 1.838 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1268 1 44 GLN HE21 2 71 VAL HB 5.500 . 5.500 5.138 4.020 5.578 0.078 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1269 1 44 GLN HE21 2 71 VAL QG 4.890 . 4.890 3.957 2.698 4.811 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1270 1 44 GLN HE22 2 67 VAL QG 4.860 . 4.860 3.411 2.769 3.880 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1271 1 44 GLN HE22 2 71 VAL QG 4.360 . 4.360 2.922 1.761 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1272 1 44 GLN QG 1 45 HIS H 5.210 . 5.210 4.214 4.167 4.262 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1273 1 44 GLN QG 2 67 VAL QG 4.640 . 4.640 3.458 3.333 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1274 1 45 HIS H 1 45 HIS HB2 4.120 . 4.120 2.519 2.422 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1275 1 45 HIS H 1 45 HIS HB3 4.150 . 4.150 2.532 2.400 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1276 1 45 HIS H 1 46 TYR H 3.950 . 3.950 2.764 2.700 2.824 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1277 1 45 HIS H 1 47 GLN H 4.950 . 4.950 4.218 4.120 4.328 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1278 1 45 HIS H 2 67 VAL MG1 4.590 . 4.590 3.177 2.946 3.505 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1279 1 45 HIS H 2 67 VAL QG 3.800 . 3.800 2.856 2.735 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1280 1 45 HIS H 2 67 VAL MG2 4.590 . 4.590 3.265 2.920 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1281 1 45 HIS HA 1 45 HIS HD2 4.770 . 4.770 2.441 2.352 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1282 1 45 HIS HA 1 48 GLN H 4.580 . 4.580 3.684 3.517 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1283 1 45 HIS HA 2 63 ALA MB 3.610 . 3.610 3.518 3.211 3.695 0.085 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1284 1 45 HIS HA 2 67 VAL MG1 4.130 . 4.130 3.655 3.343 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1285 1 45 HIS HA 2 67 VAL QG 3.070 . 3.070 2.084 1.951 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1286 1 45 HIS HA 2 67 VAL MG2 4.130 . 4.130 2.097 1.959 2.257 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1287 1 45 HIS HB2 1 46 TYR H 5.200 . 5.200 3.824 3.685 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1288 1 45 HIS HB2 2 67 VAL MG1 4.100 . 4.100 3.384 3.129 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1289 1 45 HIS HB2 2 67 VAL MG2 4.100 . 4.100 3.338 2.977 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1290 1 45 HIS HB3 1 46 TYR H 4.610 . 4.610 2.476 2.298 2.578 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1291 1 45 HIS HB3 2 67 VAL MG1 5.270 . 5.270 4.631 4.383 4.931 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1292 1 45 HIS HB3 2 67 VAL QG 4.540 . 4.540 4.003 3.830 4.143 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1293 1 45 HIS HB3 2 67 VAL MG2 5.270 . 5.270 4.390 4.100 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1294 1 45 HIS HD2 1 49 TYR HA 5.070 . 5.070 4.477 4.146 4.867 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1295 1 45 HIS HD2 1 49 TYR QB 4.560 . 4.560 2.896 2.603 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1296 1 45 HIS HD2 2 60 ALA MB 5.010 . 5.010 4.528 4.230 4.956 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1297 1 45 HIS HD2 2 63 ALA HA 5.190 . 5.190 4.469 4.065 4.792 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1298 1 45 HIS HD2 2 63 ALA MB 3.340 . 3.340 2.209 1.943 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1299 1 45 HIS HD2 2 64 CYS H 4.580 . 4.580 3.466 3.162 3.700 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1300 1 45 HIS HD2 2 64 CYS HA 4.110 . 4.110 3.322 3.053 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1301 1 45 HIS HD2 2 64 CYS HB2 5.400 . 5.400 4.678 4.179 5.123 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1302 1 45 HIS HD2 2 64 CYS QB 4.730 . 4.730 3.378 3.038 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1303 1 45 HIS HD2 2 64 CYS HB3 5.400 . 5.400 3.468 3.087 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1304 1 45 HIS HD2 2 67 VAL QG 3.700 . 3.700 3.682 3.413 3.836 0.136 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1305 1 45 HIS HE1 2 55 ILE MD 5.230 . 5.230 4.565 4.340 5.165 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1306 1 45 HIS HE1 2 60 ALA MB 3.720 . 3.720 2.942 2.456 3.340 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1307 1 46 TYR H 1 46 TYR HB2 3.910 . 3.910 2.653 2.534 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1308 1 46 TYR H 1 46 TYR HB3 3.810 . 3.810 2.469 2.355 2.570 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1309 1 46 TYR H 1 46 TYR QD 4.380 . 4.380 4.235 4.170 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1310 1 46 TYR H 1 47 GLN H 3.760 . 3.760 2.797 2.693 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1311 1 46 TYR H 1 48 GLN H 4.830 . 4.830 4.455 4.321 4.564 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1312 1 46 TYR H 2 67 VAL QG 4.920 . 4.920 4.560 4.480 4.735 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1313 1 46 TYR HA 1 46 TYR QD 3.680 . 3.680 2.826 2.624 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1314 1 46 TYR HA 1 46 TYR QE 4.890 . 4.890 4.685 4.614 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1315 1 46 TYR HA 1 48 GLN H 4.900 . 4.900 4.708 4.559 4.913 0.013 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1316 1 46 TYR HA 1 49 TYR H 4.820 . 4.820 3.541 3.426 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1317 1 46 TYR HA 1 49 TYR HA 5.500 . 5.500 5.412 5.174 5.634 0.134 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1318 1 46 TYR HA 1 49 TYR HB2 4.900 . 4.900 3.812 3.490 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1319 1 46 TYR HA 1 49 TYR HB3 4.900 . 4.900 2.519 2.260 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1320 1 46 TYR HA 1 49 TYR QD 4.580 . 4.580 3.396 3.045 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1321 1 46 TYR HA 1 50 MET H 4.800 . 4.800 3.737 3.604 3.846 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1322 1 46 TYR HA 1 50 MET ME 5.000 . 5.000 4.977 4.825 5.086 0.086 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1323 1 46 TYR HB2 1 47 GLN H 4.150 . 4.150 3.962 3.859 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1324 1 46 TYR HB3 1 47 GLN H 4.480 . 4.480 2.604 2.502 2.681 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1325 1 46 TYR QD 1 47 GLN H 3.880 . 3.880 3.208 3.070 3.442 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1326 1 46 TYR QD 1 47 GLN HA 4.150 . 4.150 3.109 2.833 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1327 1 46 TYR QD 1 47 GLN QB 4.590 . 4.590 4.337 4.076 4.582 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1328 1 46 TYR QD 1 47 GLN HG2 4.750 . 4.750 3.199 2.559 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1329 1 46 TYR QD 1 47 GLN QG 4.130 . 4.130 2.825 2.531 3.054 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1330 1 46 TYR QD 1 47 GLN HG3 4.750 . 4.750 3.582 2.748 4.763 0.013 13 0 "[ . 1 . 2 . 3 . 4 .]" 1
1331 1 46 TYR QD 1 50 MET ME 4.010 . 4.010 4.045 3.792 4.217 0.207 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1332 1 46 TYR QE 1 47 GLN QG 5.340 . 5.340 4.338 3.692 4.956 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1333 1 46 TYR QE 1 49 TYR QD 4.510 . 4.510 4.172 3.911 4.520 0.010 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1334 1 46 TYR QE 1 50 MET ME 3.270 . 3.270 2.917 2.461 3.437 0.167 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1335 1 47 GLN H 1 47 GLN QB 3.330 . 3.330 2.416 2.327 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1336 1 47 GLN H 1 47 GLN HG2 3.830 . 3.830 3.108 2.169 3.734 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1337 1 47 GLN H 1 47 GLN QG 3.160 . 3.160 2.303 2.150 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1338 1 47 GLN H 1 47 GLN HG3 3.830 . 3.830 2.769 2.250 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1339 1 47 GLN H 1 48 GLN H 3.760 . 3.760 2.836 2.736 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1340 1 47 GLN H 1 49 TYR H 4.940 . 4.940 4.161 4.050 4.276 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1341 1 47 GLN H 1 49 TYR QB 5.340 . 5.340 4.855 4.697 5.063 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1342 1 47 GLN HA 1 47 GLN HG2 4.090 . 4.090 2.674 2.390 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1343 1 47 GLN HA 1 47 GLN QG 3.570 . 3.570 2.554 2.309 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1344 1 47 GLN HA 1 47 GLN HG3 4.090 . 4.090 3.288 2.848 3.872 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1345 1 47 GLN HA 1 50 MET H 4.680 . 4.680 3.733 3.455 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1346 1 47 GLN HA 1 50 MET QB 4.350 . 4.350 3.194 2.927 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1347 1 47 GLN QB 1 48 GLN H 3.410 . 3.410 2.429 2.290 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1348 1 47 GLN QB 1 49 TYR H 4.900 . 4.900 4.637 4.537 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1349 1 47 GLN QG 1 48 GLN H 4.950 . 4.950 4.124 3.945 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1350 1 48 GLN H 1 48 GLN HB2 3.640 . 3.640 2.478 2.340 2.616 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1351 1 48 GLN H 1 48 GLN HB3 3.520 . 3.520 2.511 2.421 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1352 1 48 GLN H 1 48 GLN HG2 5.440 . 5.440 4.604 4.571 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1353 1 48 GLN H 1 48 GLN HG3 4.460 . 4.460 4.481 4.450 4.554 0.094 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1354 1 48 GLN H 1 49 TYR H 3.840 . 3.840 2.707 2.602 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1355 1 48 GLN H 1 50 MET H 4.890 . 4.890 4.362 4.254 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1356 1 48 GLN H 2 63 ALA MB 4.760 . 4.760 4.313 4.138 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1357 1 48 GLN H 2 67 VAL QG 4.370 . 4.370 3.729 3.537 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1358 1 48 GLN HA 1 48 GLN QE 4.920 . 4.920 3.472 3.127 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1359 1 48 GLN HA 1 48 GLN HG3 4.060 . 4.060 3.125 3.007 3.315 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1360 1 48 GLN HA 1 50 MET H 4.920 . 4.920 4.612 4.482 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1361 1 48 GLN HA 1 51 GLN H 4.320 . 4.320 3.573 3.406 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1362 1 48 GLN HA 1 51 GLN QB 4.360 . 4.360 2.688 2.356 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1363 1 48 GLN HA 1 51 GLN QG 4.250 . 4.250 3.976 3.262 4.346 0.096 18 0 "[ . 1 . 2 . 3 . 4 .]" 1
1364 1 48 GLN HB2 1 48 GLN QE 4.300 . 4.300 4.083 3.960 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1365 1 48 GLN HB2 1 48 GLN HE22 5.010 . 5.010 4.719 4.601 4.876 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1366 1 48 GLN HB2 1 49 TYR H 4.590 . 4.590 3.920 3.802 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1367 1 48 GLN HB2 2 63 ALA MB 4.060 . 4.060 3.920 3.771 4.076 0.016 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1368 1 48 GLN HB3 1 49 TYR H 4.300 . 4.300 2.649 2.519 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1369 1 48 GLN HB3 1 49 TYR HB2 4.990 . 4.990 4.548 4.361 4.723 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1370 1 48 GLN HB3 1 49 TYR HB3 4.990 . 4.990 4.873 4.717 5.001 0.011 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
1371 1 48 GLN HB3 2 63 ALA MB 3.630 . 3.630 2.412 2.231 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1372 1 48 GLN HB3 2 67 VAL QG 3.350 . 3.350 2.815 2.566 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1373 1 48 GLN QE 1 52 GLN HA 4.820 . 4.820 4.246 3.850 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1374 1 48 GLN QE 1 52 GLN QB 3.810 . 3.810 2.529 2.140 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1375 1 48 GLN QE 1 52 GLN QG 3.490 . 3.490 3.550 3.241 3.831 0.341 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
1376 1 48 GLN QE 2 63 ALA MB 4.340 . 4.340 3.836 3.568 4.207 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1377 1 48 GLN HE22 1 48 GLN HG3 3.730 . 3.730 3.479 3.410 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1378 1 48 GLN HG2 2 63 ALA MB 3.960 . 3.960 3.145 2.964 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1379 1 48 GLN HG2 2 66 GLU H 5.120 . 5.120 4.741 4.390 5.145 0.025 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1380 1 48 GLN HG2 2 67 VAL H 4.870 . 4.870 4.112 3.715 4.695 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1381 1 48 GLN HG2 2 67 VAL QG 3.780 . 3.780 2.914 2.450 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1382 1 48 GLN HG3 1 49 TYR HA 4.740 . 4.740 3.827 3.579 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1383 1 48 GLN HG3 2 63 ALA MB 3.400 . 3.400 2.452 2.252 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1384 1 49 TYR H 1 49 TYR HB2 4.160 . 4.160 2.736 2.648 2.875 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1385 1 49 TYR H 1 49 TYR HB3 4.160 . 4.160 2.365 2.274 2.429 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1386 1 49 TYR H 1 49 TYR QD 4.360 . 4.360 4.198 4.121 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1387 1 49 TYR H 1 50 MET H 3.960 . 3.960 2.787 2.691 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1388 1 49 TYR H 1 51 GLN H 5.500 . 5.500 4.217 4.071 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1389 1 49 TYR H 2 63 ALA MB 3.990 . 3.990 2.829 2.633 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1390 1 49 TYR HA 1 49 TYR QD 3.980 . 3.980 2.652 2.424 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1391 1 49 TYR HA 1 49 TYR QE 4.970 . 4.970 4.733 4.589 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1392 1 49 TYR HA 1 50 MET HA 5.060 . 5.060 4.696 4.632 4.741 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1393 1 49 TYR HA 1 52 GLN H 4.460 . 4.460 3.613 3.427 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1394 1 49 TYR HA 1 52 GLN QB 4.280 . 4.280 2.946 2.771 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1395 1 49 TYR HA 1 52 GLN QG 5.420 . 5.420 4.760 4.318 5.357 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1396 1 49 TYR HA 1 53 LEU HB3 5.350 . 5.350 5.184 5.037 5.412 0.062 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1397 1 49 TYR HA 2 59 VAL QG 3.500 . 3.500 2.978 2.483 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1398 1 49 TYR HA 2 60 ALA HA 4.930 . 4.930 3.813 3.552 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1399 1 49 TYR HA 2 60 ALA MB 5.500 . 5.500 4.909 4.619 5.357 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1400 1 49 TYR HA 2 63 ALA MB 3.380 . 3.380 2.247 2.121 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1401 1 49 TYR HB2 1 50 MET H 4.360 . 4.360 3.958 3.879 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1402 1 49 TYR HB2 2 63 ALA MB 4.730 . 4.730 2.516 2.295 2.674 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1403 1 49 TYR HB3 1 50 MET H 4.360 . 4.360 2.559 2.446 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1404 1 49 TYR HB3 2 63 ALA MB 4.730 . 4.730 3.695 3.461 3.827 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1405 1 49 TYR QD 1 50 MET H 4.250 . 4.250 3.228 2.960 3.501 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1406 1 49 TYR QD 1 50 MET HA 4.500 . 4.500 3.531 3.210 3.959 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1407 1 49 TYR QD 1 50 MET ME 3.910 . 3.910 2.638 2.300 3.079 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1408 1 49 TYR QD 1 51 GLN H 5.500 . 5.500 5.439 5.240 5.569 0.069 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1409 1 49 TYR QD 1 52 GLN H 5.500 . 5.500 5.398 5.132 5.550 0.050 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1410 1 49 TYR QD 1 53 LEU QD 4.020 . 4.020 3.716 3.589 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1411 1 49 TYR QD 2 55 ILE MD 5.500 . 5.500 4.914 4.470 5.601 0.101 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
1412 1 49 TYR QD 2 55 ILE MG 4.930 . 4.930 4.412 4.096 4.933 0.003 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
1413 1 49 TYR QD 2 59 VAL H 5.500 . 5.500 5.024 4.685 5.388 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1414 1 49 TYR QD 2 59 VAL HB 4.320 . 4.320 3.568 2.821 4.755 0.435 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1415 1 49 TYR QD 2 59 VAL MG1 4.540 . 4.540 2.438 2.140 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1416 1 49 TYR QD 2 59 VAL QG 3.270 . 3.270 2.247 1.892 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1417 1 49 TYR QD 2 59 VAL MG2 4.540 . 4.540 3.952 1.930 4.733 0.193 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1418 1 49 TYR QD 2 60 ALA H 4.410 . 4.410 3.369 3.075 3.689 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1419 1 49 TYR QD 2 60 ALA HA 3.570 . 3.570 2.221 2.038 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1420 1 49 TYR QD 2 60 ALA MB 3.760 . 3.760 2.924 2.686 3.225 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1421 1 49 TYR QD 2 63 ALA MB 3.970 . 3.970 3.135 2.814 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1422 1 49 TYR QE 1 50 MET H 5.430 . 5.430 5.177 4.965 5.415 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1423 1 49 TYR QE 1 50 MET ME 3.860 . 3.860 2.580 2.211 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1424 1 49 TYR QE 1 53 LEU HB3 4.320 . 4.320 4.374 4.287 4.475 0.155 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1425 1 49 TYR QE 1 53 LEU QD 3.080 . 3.080 2.550 2.351 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1426 1 49 TYR QE 2 55 ILE HB 4.510 . 4.510 3.403 2.977 3.606 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1427 1 49 TYR QE 2 55 ILE MD 4.830 . 4.830 4.262 3.903 4.859 0.029 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
1428 1 49 TYR QE 2 55 ILE MG 3.870 . 3.870 3.066 2.682 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1429 1 49 TYR QE 2 56 ASP H 4.300 . 4.300 3.166 2.741 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1430 1 49 TYR QE 2 56 ASP HB2 4.730 . 4.730 2.905 2.120 4.361 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1431 1 49 TYR QE 2 56 ASP QB 4.150 . 4.150 2.553 2.110 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1432 1 49 TYR QE 2 56 ASP HB3 4.730 . 4.730 3.685 2.203 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1433 1 49 TYR QE 2 59 VAL H 4.880 . 4.880 4.087 3.575 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1434 1 49 TYR QE 2 59 VAL HB 4.620 . 4.620 2.775 2.003 4.744 0.124 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1435 1 49 TYR QE 2 59 VAL MG1 3.960 . 3.960 2.745 1.875 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1436 1 49 TYR QE 2 59 VAL MG2 3.960 . 3.960 3.590 2.652 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1437 1 49 TYR QE 2 60 ALA H 4.360 . 4.360 3.084 2.747 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1438 1 49 TYR QE 2 60 ALA HA 4.860 . 4.860 3.861 3.404 4.342 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1439 1 49 TYR QE 2 60 ALA MB 3.780 . 3.780 2.937 2.614 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1440 1 50 MET H 1 50 MET QB 3.670 . 3.670 2.221 2.176 2.266 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1441 1 50 MET H 1 50 MET ME 3.810 . 3.810 3.735 3.549 3.921 0.111 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1442 1 50 MET H 1 50 MET QG 4.920 . 4.920 4.056 4.029 4.115 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1443 1 50 MET H 1 51 GLN H 3.770 . 3.770 2.696 2.602 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1444 1 50 MET H 1 51 GLN QB 5.380 . 5.380 4.517 4.311 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1445 1 50 MET HA 1 50 MET ME 3.250 . 3.250 2.369 2.150 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1446 1 50 MET HA 1 53 LEU H 4.400 . 4.400 3.479 3.239 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1447 1 50 MET HA 1 53 LEU HB2 4.410 . 4.410 3.614 3.200 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1448 1 50 MET HA 1 53 LEU HB3 3.810 . 3.810 2.546 2.332 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1449 1 50 MET HA 1 53 LEU QD 3.290 . 3.290 3.187 3.083 3.305 0.015 6 0 "[ . 1 . 2 . 3 . 4 .]" 1
1450 1 50 MET HA 1 53 LEU HG 4.830 . 4.830 4.814 4.623 4.888 0.058 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1451 1 50 MET HA 1 54 TYR H 5.450 . 5.450 3.843 3.619 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1452 1 50 MET QB 1 50 MET ME 3.020 . 3.020 2.339 2.132 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1453 1 50 MET QB 1 51 GLN H 3.780 . 3.780 2.629 2.508 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1454 1 50 MET HB2 1 51 GLN H 4.350 . 4.350 3.844 3.670 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1455 1 50 MET HB3 1 51 GLN H 4.350 . 4.350 2.677 2.547 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1456 1 50 MET ME 1 53 LEU H 5.500 . 5.500 5.105 4.768 5.476 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1457 1 50 MET ME 1 53 LEU HB3 4.030 . 4.030 3.564 3.201 4.030 0.000 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1458 1 50 MET ME 1 53 LEU QD 3.010 . 3.010 2.374 2.054 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1459 1 50 MET ME 1 53 LEU HG 4.960 . 4.960 4.545 4.139 4.998 0.038 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1460 1 50 MET ME 1 54 TYR QB 4.930 . 4.930 5.103 4.839 5.377 0.447 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
1461 1 51 GLN H 1 51 GLN QB 2.920 . 2.920 2.258 2.041 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1462 1 51 GLN H 1 51 GLN QG 4.800 . 4.800 3.239 2.364 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1463 1 51 GLN H 1 52 GLN H 3.420 . 3.420 2.692 2.589 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1464 1 51 GLN HA 1 51 GLN QG 3.100 . 3.100 2.635 2.317 2.985 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1465 1 51 GLN HA 1 54 TYR QB 3.600 . 3.600 2.925 2.619 3.123 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1466 1 51 GLN HA 1 54 TYR QD 4.960 . 4.960 4.802 3.619 4.998 0.038 18 0 "[ . 1 . 2 . 3 . 4 .]" 1
1467 1 51 GLN QB 1 52 GLN H 3.070 . 3.070 2.528 2.386 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1468 1 51 GLN QB 1 54 TYR QB 5.230 . 5.230 4.542 4.177 4.792 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1469 1 51 GLN QG 1 54 TYR QB 5.340 . 5.340 4.556 3.779 5.120 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1470 1 52 GLN H 1 52 GLN QB 3.280 . 3.280 2.206 2.116 2.266 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1471 1 52 GLN H 1 53 LEU H 3.550 . 3.550 2.634 2.546 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1472 1 52 GLN H 1 53 LEU HB3 4.830 . 4.830 4.724 4.623 4.860 0.030 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1473 1 52 GLN H 1 54 TYR QB 4.910 . 4.910 4.880 4.737 4.973 0.063 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1474 1 52 GLN H 2 59 VAL QG 4.310 . 4.310 4.195 3.877 4.404 0.094 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1475 1 52 GLN HA 1 52 GLN QG 3.090 . 3.090 2.615 2.211 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1476 1 52 GLN HA 1 55 GLN H 3.720 . 3.720 3.403 3.238 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1477 1 52 GLN HA 1 55 GLN HG3 4.140 . 4.140 3.519 3.130 3.758 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1478 1 52 GLN HA 1 56 VAL H 4.970 . 4.970 4.565 4.377 4.810 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1479 1 52 GLN HA 1 56 VAL MG2 4.810 . 4.810 4.198 3.932 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1480 1 52 GLN HA 2 59 VAL QG 4.260 . 4.260 4.246 4.070 4.427 0.167 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1481 1 52 GLN QB 1 52 GLN QE 3.890 . 3.890 3.453 1.828 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1482 1 52 GLN QB 1 53 LEU H 3.860 . 3.860 2.538 2.390 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1483 1 52 GLN QB 2 59 VAL QG 3.420 . 3.420 2.306 2.009 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1484 1 52 GLN QB 2 63 ALA MB 4.300 . 4.300 3.269 2.916 3.664 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1485 1 52 GLN QE 1 52 GLN QG 3.010 . 3.010 2.156 2.065 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1486 1 52 GLN QE 1 56 VAL MG2 4.200 . 4.200 3.322 2.505 4.660 0.460 22 0 "[ . 1 . 2 . 3 . 4 .]" 1
1487 1 52 GLN QE 2 59 VAL QG 4.530 . 4.530 3.379 2.285 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1488 1 52 GLN QG 1 53 LEU H 4.090 . 4.090 3.935 3.759 4.331 0.241 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1489 1 52 GLN QG 1 56 VAL MG2 3.780 . 3.780 2.922 2.468 4.054 0.274 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1490 1 52 GLN QG 2 59 VAL MG1 4.560 . 4.560 2.977 2.164 5.047 0.487 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1491 1 52 GLN QG 2 59 VAL QG 3.340 . 3.340 2.426 2.153 3.374 0.034 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1492 1 52 GLN QG 2 59 VAL MG2 4.560 . 4.560 3.515 2.218 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1493 1 53 LEU H 1 53 LEU HB2 3.560 . 3.560 2.550 2.463 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1494 1 53 LEU H 1 53 LEU HB3 3.490 . 3.490 2.447 2.363 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1495 1 53 LEU H 1 53 LEU QD 3.840 . 3.840 3.735 3.689 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1496 1 53 LEU H 1 53 LEU HG 4.430 . 4.430 4.441 4.403 4.517 0.087 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1497 1 53 LEU H 1 54 TYR H 3.710 . 3.710 2.682 2.626 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1498 1 53 LEU H 1 54 TYR QB 4.710 . 4.710 4.456 4.374 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1499 1 53 LEU H 1 56 VAL MG2 4.750 . 4.750 4.391 4.255 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1500 1 53 LEU H 2 59 VAL QG 3.790 . 3.790 2.864 2.661 3.101 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1501 1 53 LEU HA 1 53 LEU QD 2.780 . 2.780 2.221 2.117 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1502 1 53 LEU HA 1 53 LEU HG 3.850 . 3.850 3.106 2.937 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1503 1 53 LEU HA 1 56 VAL H 4.320 . 4.320 3.174 3.070 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1504 1 53 LEU HA 1 56 VAL HB 3.820 . 3.820 2.748 2.543 2.938 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1505 1 53 LEU HA 1 56 VAL MG2 3.810 . 3.810 2.710 2.527 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1506 1 53 LEU HA 2 59 VAL HB 4.740 . 4.740 4.381 3.855 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1507 1 53 LEU HA 2 59 VAL MG1 3.800 . 3.800 2.537 2.067 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1508 1 53 LEU HA 2 59 VAL QG 3.310 . 3.310 2.343 2.034 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1509 1 53 LEU HA 2 59 VAL MG2 3.800 . 3.800 3.018 2.426 3.407 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1510 1 53 LEU HB2 1 53 LEU QD 2.870 . 2.870 2.126 2.106 2.162 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1511 1 53 LEU HB2 1 54 TYR H 4.190 . 4.190 3.928 3.853 4.028 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1512 1 53 LEU HB2 2 59 VAL QG 4.200 . 4.200 2.480 2.202 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1513 1 53 LEU HB3 1 53 LEU QD 2.980 . 2.980 2.220 2.194 2.266 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1514 1 53 LEU HB3 1 54 TYR H 3.730 . 3.730 2.625 2.529 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1515 1 53 LEU HB3 1 54 TYR QB 4.900 . 4.900 4.132 3.985 4.334 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1516 1 53 LEU HB3 1 56 VAL HB 5.500 . 5.500 5.453 5.254 5.561 0.061 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1517 1 53 LEU HB3 2 59 VAL QG 4.050 . 4.050 3.711 3.483 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1518 1 53 LEU QD 1 54 TYR H 4.150 . 4.150 3.856 3.788 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1519 1 53 LEU QD 1 54 TYR HA 4.020 . 4.020 4.104 4.011 4.189 0.169 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1520 1 53 LEU QD 1 54 TYR QB 4.560 . 4.560 4.482 4.334 4.603 0.043 6 0 "[ . 1 . 2 . 3 . 4 .]" 1
1521 1 53 LEU QD 1 55 GLN H 5.500 . 5.500 5.193 5.112 5.269 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1522 1 53 LEU QD 1 56 VAL H 4.260 . 4.260 4.205 3.984 4.384 0.124 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1523 1 53 LEU QD 1 56 VAL HA 5.500 . 5.500 5.390 5.146 5.653 0.153 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1524 1 53 LEU QD 1 56 VAL HB 3.430 . 3.430 2.766 2.483 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1525 1 53 LEU QD 1 57 GLN H 3.880 . 3.880 3.600 3.208 3.854 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1526 1 53 LEU QD 1 57 GLN HA 5.100 . 5.100 4.812 4.360 5.135 0.035 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1527 1 53 LEU QD 1 57 GLN QB 3.690 . 3.690 3.358 2.947 3.694 0.004 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1528 1 53 LEU QD 1 57 GLN HG2 4.220 . 4.220 3.769 3.555 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1529 1 53 LEU QD 1 57 GLN HG3 4.220 . 4.220 4.159 3.918 4.303 0.083 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1530 1 53 LEU QD 2 56 ASP H 4.100 . 4.100 3.352 3.020 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1531 1 53 LEU QD 2 56 ASP HB2 4.320 . 4.320 2.596 2.299 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1532 1 53 LEU QD 2 56 ASP QB 3.620 . 3.620 2.476 2.181 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1533 1 53 LEU QD 2 56 ASP HB3 4.320 . 4.320 3.404 2.370 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1534 1 53 LEU QD 2 59 VAL HB 4.980 . 4.980 3.467 2.942 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1535 1 53 LEU HG 1 54 TYR H 4.530 . 4.530 3.743 3.565 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1536 1 53 LEU HG 1 57 GLN QE 5.340 . 5.340 5.301 5.136 5.398 0.058 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1537 1 53 LEU HG 1 57 GLN QG 4.220 . 4.220 3.173 2.966 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1538 1 53 LEU HG 2 59 VAL QG 5.440 . 5.440 4.250 4.019 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1539 1 54 TYR H 1 54 TYR QB 3.150 . 3.150 2.252 2.159 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1540 1 54 TYR H 1 54 TYR QD 4.330 . 4.330 4.220 4.061 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1541 1 54 TYR H 1 55 GLN H 3.370 . 3.370 2.739 2.685 2.822 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1542 1 54 TYR H 1 56 VAL HB 5.500 . 5.500 5.407 5.191 5.569 0.069 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1543 1 54 TYR H 1 56 VAL MG2 4.820 . 4.820 4.915 4.841 5.038 0.218 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1544 1 54 TYR HA 1 54 TYR QD 3.280 . 3.280 3.021 2.792 3.176 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1545 1 54 TYR HA 1 54 TYR QE 5.500 . 5.500 4.678 4.568 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1546 1 54 TYR HA 1 57 GLN H 4.110 . 4.110 3.699 3.528 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1547 1 54 TYR HA 1 57 GLN QE 5.280 . 5.280 2.543 2.188 2.748 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1548 1 54 TYR HA 1 58 LEU H 4.600 . 4.600 3.985 3.847 4.162 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1549 1 54 TYR QB 1 55 GLN H 3.540 . 3.540 2.589 2.459 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1550 1 54 TYR QB 1 55 GLN QB 5.500 . 5.500 4.466 4.289 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1551 1 54 TYR QB 1 55 GLN HG3 4.460 . 4.460 3.313 3.079 3.757 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1552 1 54 TYR QB 1 56 VAL H 5.030 . 5.030 4.698 4.628 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1553 1 54 TYR QB 1 57 GLN QE 4.750 . 4.750 3.847 3.551 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1554 1 54 TYR QD 1 55 GLN H 4.150 . 4.150 3.585 2.971 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1555 1 54 TYR QD 1 55 GLN HA 3.550 . 3.550 3.150 2.853 3.562 0.012 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1556 1 54 TYR QD 1 55 GLN HG2 4.380 . 4.380 3.726 2.986 4.238 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1557 1 54 TYR QD 1 55 GLN HG3 4.350 . 4.350 3.556 2.360 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1558 1 54 TYR QD 1 57 GLN QE 4.660 . 4.660 3.156 2.240 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1559 1 54 TYR QD 1 57 GLN QG 4.940 . 4.940 4.046 3.737 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1560 1 54 TYR QD 1 58 LEU QB 4.530 . 4.530 3.254 3.006 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1561 1 54 TYR QD 1 58 LEU QD 3.700 . 3.700 3.287 2.822 4.199 0.499 4 0 "[ . 1 . 2 . 3 . 4 .]" 1
1562 1 54 TYR QD 1 58 LEU HG 5.500 . 5.500 4.986 3.443 5.780 0.280 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1563 1 54 TYR QE 1 58 LEU QB 4.840 . 4.840 3.369 3.018 3.704 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1564 1 54 TYR QE 1 58 LEU QD 3.620 . 3.620 2.642 2.120 3.489 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1565 1 55 GLN H 1 55 GLN QB 3.240 . 3.240 2.410 2.326 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1566 1 55 GLN H 1 55 GLN HG3 3.410 . 3.410 2.327 2.151 2.517 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1567 1 55 GLN H 1 56 VAL H 3.440 . 3.440 2.662 2.572 2.770 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1568 1 55 GLN H 1 56 VAL HA 5.340 . 5.340 5.273 5.200 5.371 0.031 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1569 1 55 GLN H 1 56 VAL HB 5.370 . 5.370 5.007 4.798 5.110 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1570 1 55 GLN H 1 56 VAL MG2 4.090 . 4.090 4.051 3.904 4.229 0.139 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1571 1 55 GLN H 1 58 LEU QB 4.670 . 4.670 4.449 4.315 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1572 1 55 GLN H 1 58 LEU QD 5.440 . 5.440 5.022 4.714 5.500 0.060 23 0 "[ . 1 . 2 . 3 . 4 .]" 1
1573 1 55 GLN H 2 59 VAL QG 5.440 . 5.440 5.197 5.003 5.430 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1574 1 55 GLN HA 1 55 GLN HG2 3.880 . 3.880 2.548 2.431 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1575 1 55 GLN HA 1 57 GLN H 5.330 . 5.330 4.743 4.616 4.921 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1576 1 55 GLN HA 1 58 LEU H 4.110 . 4.110 3.519 3.320 3.714 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1577 1 55 GLN HA 1 58 LEU QB 3.190 . 3.190 2.282 2.026 2.475 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1578 1 55 GLN HA 1 58 LEU QD 3.840 . 3.840 2.814 2.435 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1579 1 55 GLN HA 1 58 LEU HG 4.710 . 4.710 4.151 3.631 4.805 0.095 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1580 1 55 GLN HA 1 59 ALA H 4.300 . 4.300 3.910 3.656 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1581 1 55 GLN QB 1 56 VAL H 3.410 . 3.410 2.810 2.683 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1582 1 55 GLN QB 1 59 ALA H 5.270 . 5.270 4.569 4.447 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1583 1 55 GLN QB 1 59 ALA MB 4.150 . 4.150 4.165 3.981 4.290 0.140 22 0 "[ . 1 . 2 . 3 . 4 .]" 1
1584 1 55 GLN HG2 1 58 LEU QB 5.300 . 5.300 4.344 3.944 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1585 1 55 GLN HG2 1 58 LEU QD 3.990 . 3.990 3.656 3.205 4.163 0.173 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
1586 1 56 VAL H 1 56 VAL HB 3.140 . 3.140 2.547 2.450 2.596 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1587 1 56 VAL H 1 56 VAL MG1 3.920 . 3.920 3.823 3.794 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1588 1 56 VAL H 1 56 VAL MG2 2.670 . 2.670 2.188 2.107 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1589 1 56 VAL H 1 57 GLN H 3.190 . 3.190 2.679 2.618 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1590 1 56 VAL H 1 58 LEU H 3.960 . 3.960 3.815 3.720 3.915 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1591 1 56 VAL H 1 58 LEU QB 5.080 . 5.080 4.468 4.336 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1592 1 56 VAL H 1 59 ALA MB 5.370 . 5.370 4.806 4.696 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1593 1 56 VAL HA 1 56 VAL MG1 2.810 . 2.810 2.436 2.399 2.471 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1594 1 56 VAL HA 1 56 VAL MG2 2.580 . 2.580 2.406 2.355 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1595 1 56 VAL HA 1 58 LEU H 4.790 . 4.790 4.266 4.139 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1596 1 56 VAL HA 1 58 LEU QD 5.440 . 5.440 5.639 5.346 5.891 0.451 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1597 1 56 VAL HA 1 59 ALA H 3.870 . 3.870 3.335 3.098 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1598 1 56 VAL HA 1 59 ALA MB 2.930 . 2.930 2.738 2.548 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1599 1 56 VAL HA 1 60 GLN QG 4.880 . 4.880 4.441 4.208 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1600 1 56 VAL HB 1 57 GLN H 3.050 . 3.050 2.493 2.375 2.607 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1601 1 56 VAL HB 1 57 GLN HA 4.350 . 4.350 4.303 4.213 4.382 0.032 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1602 1 56 VAL HB 1 59 ALA H 5.500 . 5.500 5.430 5.247 5.526 0.026 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
1603 1 56 VAL HB 1 59 ALA MB 5.170 . 5.170 5.154 4.952 5.273 0.103 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1604 1 56 VAL MG1 1 57 GLN HA 4.020 . 4.020 3.381 3.254 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1605 1 56 VAL MG1 1 58 LEU H 5.320 . 5.320 4.893 4.820 4.990 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1606 1 56 VAL MG1 1 59 ALA MB 3.920 . 3.920 3.601 3.340 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1607 1 56 VAL MG1 1 60 GLN H 5.190 . 5.190 4.277 4.038 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1608 1 56 VAL MG2 1 57 GLN H 3.780 . 3.780 3.816 3.746 3.882 0.102 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1609 1 56 VAL MG2 1 59 ALA MB 4.340 . 4.340 4.238 4.020 4.400 0.060 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
1610 1 56 VAL MG2 2 59 VAL QG 3.660 . 3.660 2.353 2.024 3.177 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1611 1 57 GLN H 1 57 GLN QB 3.490 . 3.490 2.542 2.491 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1612 1 57 GLN H 1 57 GLN HG2 3.760 . 3.760 3.445 3.192 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1613 1 57 GLN H 1 57 GLN QG 3.190 . 3.190 2.190 2.102 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1614 1 57 GLN H 1 57 GLN HG3 3.760 . 3.760 2.215 2.131 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1615 1 57 GLN H 1 58 LEU H 3.140 . 3.140 2.544 2.462 2.661 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1616 1 57 GLN H 1 58 LEU QB 4.790 . 4.790 4.252 4.164 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1617 1 57 GLN HA 1 57 GLN QG 3.500 . 3.500 3.508 3.451 3.551 0.051 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1618 1 57 GLN HA 1 59 ALA H 4.850 . 4.850 4.323 4.135 4.454 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1619 1 57 GLN QB 1 58 LEU QB 4.920 . 4.920 4.849 4.793 4.954 0.034 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
1620 1 57 GLN HB2 1 58 LEU H 4.010 . 4.010 4.002 3.878 4.053 0.043 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
1621 1 57 GLN HB3 1 58 LEU H 4.010 . 4.010 4.044 4.003 4.095 0.085 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1622 1 57 GLN QE 1 58 LEU H 4.670 . 4.670 2.726 2.549 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1623 1 57 GLN QE 1 58 LEU HA 4.960 . 4.960 3.116 2.941 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1624 1 57 GLN QE 1 58 LEU QB 3.730 . 3.730 2.408 2.235 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1625 1 57 GLN QE 1 58 LEU QD 4.050 . 4.050 3.189 3.021 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1626 1 57 GLN HE21 1 58 LEU QB 4.350 . 4.350 2.554 2.318 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1627 1 57 GLN HE21 1 58 LEU MD1 5.500 . 5.500 4.459 3.832 5.530 0.030 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1628 1 57 GLN HE21 1 58 LEU MD2 5.500 . 5.500 4.221 3.946 5.436 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1629 1 57 GLN HE22 1 58 LEU QB 4.350 . 4.350 2.970 2.838 3.214 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1630 1 57 GLN HE22 1 58 LEU MD1 5.500 . 5.500 4.132 3.305 5.537 0.037 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1631 1 57 GLN HE22 1 58 LEU MD2 5.500 . 5.500 4.189 3.228 5.524 0.024 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1632 1 57 GLN QG 1 58 LEU QB 5.340 . 5.340 3.686 3.570 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1633 1 57 GLN HG2 1 58 LEU H 4.290 . 4.290 4.119 4.018 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1634 1 57 GLN HG3 1 58 LEU H 4.290 . 4.290 2.505 2.349 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1635 1 58 LEU H 1 58 LEU QB 2.790 . 2.790 2.198 2.143 2.280 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1636 1 58 LEU H 1 58 LEU MD1 4.870 . 4.870 4.193 4.074 4.283 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1637 1 58 LEU H 1 58 LEU QD 4.120 . 4.120 3.723 3.687 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1638 1 58 LEU H 1 58 LEU MD2 4.870 . 4.870 4.168 4.088 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1639 1 58 LEU H 1 59 ALA H 3.110 . 3.110 2.657 2.618 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1640 1 58 LEU H 1 59 ALA HA 5.420 . 5.420 5.280 5.235 5.340 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1641 1 58 LEU H 1 59 ALA MB 4.260 . 4.260 4.316 4.270 4.403 0.143 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1642 1 58 LEU HA 1 58 LEU QD 2.970 . 2.970 2.267 2.102 3.103 0.133 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1643 1 58 LEU HA 1 58 LEU HG 3.990 . 3.990 3.412 2.531 3.786 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1644 1 58 LEU HA 1 61 GLN H 3.750 . 3.750 3.191 3.057 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1645 1 58 LEU HA 1 61 GLN QB 3.550 . 3.550 2.335 2.196 2.685 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1646 1 58 LEU HA 1 61 GLN QG 5.340 . 5.340 4.023 2.971 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1647 1 58 LEU HA 1 62 GLN QG 5.340 . 5.340 4.035 3.650 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1648 1 58 LEU QB 1 58 LEU MD1 2.740 . 2.740 2.284 2.050 2.378 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1649 1 58 LEU QB 1 58 LEU QD 2.370 . 2.370 1.954 1.869 2.046 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1650 1 58 LEU QB 1 58 LEU MD2 2.740 . 2.740 2.173 1.992 2.505 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1651 1 58 LEU QB 1 58 LEU HG 2.710 . 2.710 2.263 2.064 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1652 1 58 LEU QB 1 59 ALA H 3.150 . 3.150 2.530 2.393 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1653 1 58 LEU QB 1 60 GLN H 5.310 . 5.310 4.744 4.665 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1654 1 58 LEU QB 1 61 GLN QB 4.110 . 4.110 4.139 4.012 4.391 0.281 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1655 1 58 LEU QB 1 62 GLN QG 4.770 . 4.770 4.313 3.897 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1656 1 58 LEU QD 1 59 ALA H 4.150 . 4.150 3.588 2.970 4.012 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1657 1 58 LEU QD 1 59 ALA HA 4.200 . 4.200 3.682 2.437 4.253 0.053 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1658 1 58 LEU QD 1 59 ALA MB 4.670 . 4.670 4.047 3.324 4.487 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1659 1 58 LEU QD 1 61 GLN H 4.290 . 4.290 4.182 3.887 4.532 0.242 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1660 1 58 LEU QD 1 61 GLN QB 3.530 . 3.530 2.670 2.404 3.894 0.364 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1661 1 58 LEU QD 1 62 GLN H 3.360 . 3.360 3.427 3.133 3.713 0.353 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1662 1 58 LEU QD 1 62 GLN HA 5.190 . 5.190 4.367 4.090 4.717 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1663 1 58 LEU QD 1 62 GLN QB 4.770 . 4.770 3.824 3.217 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1664 1 58 LEU QD 1 62 GLN QE 3.590 . 3.590 2.916 2.071 3.768 0.178 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
1665 1 58 LEU QD 1 62 GLN QG 3.620 . 3.620 2.281 1.974 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1666 1 58 LEU MD1 1 59 ALA H 4.720 . 4.720 4.044 3.033 4.735 0.015 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1667 1 58 LEU MD1 1 59 ALA HA 4.860 . 4.860 4.024 2.740 5.172 0.312 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1668 1 58 LEU MD1 1 59 ALA MB 5.500 . 5.500 4.645 3.441 5.293 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1669 1 58 LEU MD1 1 62 GLN HE21 5.970 . 5.970 3.432 2.225 5.153 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1670 1 58 LEU MD1 1 62 GLN HE22 5.970 . 5.970 3.966 2.785 5.363 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1671 1 58 LEU MD2 1 59 ALA H 4.720 . 4.720 4.231 3.119 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1672 1 58 LEU MD2 1 59 ALA HA 4.860 . 4.860 4.606 2.442 4.878 0.018 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1673 1 58 LEU MD2 1 59 ALA MB 5.500 . 5.500 4.776 3.360 5.144 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1674 1 58 LEU MD2 1 62 GLN HE21 5.970 . 5.970 3.894 2.157 5.135 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1675 1 58 LEU MD2 1 62 GLN HE22 5.970 . 5.970 4.419 3.138 5.425 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1676 1 58 LEU HG 1 59 ALA H 4.660 . 4.660 4.026 3.489 4.822 0.162 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1677 1 58 LEU HG 1 61 GLN QB 5.100 . 5.100 4.617 3.416 5.278 0.178 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1678 1 59 ALA H 1 59 ALA MB 2.610 . 2.610 2.230 2.190 2.276 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1679 1 59 ALA H 1 60 GLN H 3.020 . 3.020 2.753 2.622 2.868 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1680 1 59 ALA H 1 60 GLN QG 4.820 . 4.820 4.460 4.218 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1681 1 59 ALA H 1 61 GLN QB 5.500 . 5.500 4.814 4.690 4.965 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1682 1 59 ALA H 1 62 GLN QG 5.000 . 5.000 4.785 4.238 5.042 0.042 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1683 1 59 ALA HA 1 62 GLN H 4.610 . 4.610 3.450 3.281 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1684 1 59 ALA HA 1 62 GLN QB 3.890 . 3.890 2.823 2.516 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1685 1 59 ALA MB 1 60 GLN H 2.820 . 2.820 2.534 2.461 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1686 1 59 ALA MB 1 60 GLN QG 3.610 . 3.610 3.238 2.951 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1687 1 60 GLN H 1 60 GLN HB2 3.620 . 3.620 2.455 2.312 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1688 1 60 GLN H 1 60 GLN HB3 3.620 . 3.620 3.610 3.550 3.652 0.032 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
1689 1 60 GLN H 1 60 GLN QG 3.230 . 3.230 2.290 2.191 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1690 1 60 GLN HA 1 60 GLN QG 3.640 . 3.640 2.675 2.328 3.063 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1691 1 61 GLN H 1 61 GLN QB 2.750 . 2.750 2.198 2.029 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1692 1 61 GLN H 1 62 GLN H 3.050 . 3.050 2.712 2.600 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1693 1 61 GLN HA 1 64 ALA H 3.590 . 3.590 3.305 3.097 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1694 1 61 GLN HA 1 64 ALA MB 3.350 . 3.350 2.676 2.468 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1695 1 61 GLN QB 1 62 GLN H 3.470 . 3.470 2.602 2.430 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1696 1 61 GLN QB 1 64 ALA H 5.100 . 5.100 4.819 4.597 5.030 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1697 1 61 GLN QG 1 64 ALA H 5.340 . 5.340 4.895 4.460 5.420 0.080 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1698 1 62 GLN H 1 62 GLN QB 2.760 . 2.760 2.389 2.285 2.505 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1699 1 62 GLN H 1 62 GLN HG2 3.620 . 3.620 3.038 2.247 3.674 0.054 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1700 1 62 GLN H 1 62 GLN QG 3.130 . 3.130 2.411 2.220 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1701 1 62 GLN H 1 62 GLN HG3 3.620 . 3.620 2.865 2.293 3.632 0.012 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
1702 1 62 GLN H 1 63 ALA H 3.080 . 3.080 2.631 2.543 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1703 1 62 GLN H 1 64 ALA H 4.300 . 4.300 4.028 3.914 4.106 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1704 1 62 GLN H 1 65 LEU H 5.100 . 5.100 4.751 4.626 4.916 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1705 1 62 GLN HA 1 63 ALA H 3.550 . 3.550 3.558 3.515 3.597 0.047 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1706 1 62 GLN HA 1 64 ALA H 5.060 . 5.060 4.115 3.897 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1707 1 62 GLN HA 1 65 LEU H 3.640 . 3.640 3.236 3.110 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1708 1 62 GLN HA 1 65 LEU QB 3.640 . 3.640 2.447 2.243 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1709 1 62 GLN HA 1 65 LEU QD 3.880 . 3.880 3.754 3.254 3.961 0.081 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1710 1 62 GLN HA 1 65 LEU HG 4.310 . 4.310 4.070 3.658 4.330 0.020 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1711 1 62 GLN QB 1 63 ALA H 3.100 . 3.100 2.680 2.500 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1712 1 62 GLN QB 1 64 ALA H 4.810 . 4.810 4.614 4.493 4.730 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1713 1 62 GLN QB 1 65 LEU H 4.980 . 4.980 4.668 4.513 4.840 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1714 1 62 GLN QG 1 63 ALA H 4.470 . 4.470 4.183 3.969 4.315 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1715 1 62 GLN HG2 1 63 ALA H 5.070 . 5.070 4.810 4.230 5.105 0.035 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1716 1 62 GLN HG3 1 63 ALA H 5.070 . 5.070 4.659 4.394 5.070 0.000 13 0 "[ . 1 . 2 . 3 . 4 .]" 1
1717 1 63 ALA H 1 63 ALA MB 2.470 . 2.470 2.239 2.178 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1718 1 63 ALA H 1 64 ALA H 2.910 . 2.910 2.604 2.509 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1719 1 63 ALA H 1 65 LEU H 4.390 . 4.390 4.028 3.901 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1720 1 63 ALA H 1 65 LEU QB 5.240 . 5.240 4.896 4.728 5.124 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1721 1 63 ALA H 1 66 GLN QG 5.500 . 5.500 5.003 4.604 5.536 0.036 22 0 "[ . 1 . 2 . 3 . 4 .]" 1
1722 1 63 ALA HA 1 65 LEU H 5.500 . 5.500 4.205 3.848 4.567 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1723 1 63 ALA HA 1 66 GLN QB 4.800 . 4.800 4.775 2.625 4.998 0.198 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
1724 1 63 ALA HA 1 66 GLN QG 5.000 . 5.000 2.792 2.394 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1725 1 64 ALA H 1 64 ALA MB 2.400 . 2.400 2.256 2.225 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1726 1 64 ALA H 1 65 LEU H 2.800 . 2.800 2.447 2.307 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1727 1 64 ALA H 1 65 LEU QB 4.380 . 4.380 4.142 3.928 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1728 1 64 ALA H 1 66 GLN QG 5.500 . 5.500 4.524 4.191 5.507 0.007 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1729 1 64 ALA MB 1 65 LEU H 2.920 . 2.920 2.734 2.478 2.972 0.052 29 0 "[ . 1 . 2 . 3 . 4 .]" 1
1730 1 65 LEU H 1 65 LEU QB 2.570 . 2.570 2.082 1.999 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1731 1 65 LEU H 1 65 LEU MD1 4.430 . 4.430 4.241 4.120 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1732 1 65 LEU H 1 65 LEU QD 3.670 . 3.670 2.838 2.609 3.049 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1733 1 65 LEU H 1 65 LEU MD2 4.430 . 4.430 2.884 2.637 3.116 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1734 1 65 LEU H 1 65 LEU HG 4.740 . 4.740 4.205 4.054 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1735 1 65 LEU H 1 66 GLN H 2.940 . 2.940 2.591 2.378 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1736 1 65 LEU H 1 66 GLN QG 4.230 . 4.230 3.864 3.505 4.256 0.026 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1737 1 65 LEU HA 1 65 LEU MD1 3.040 . 3.040 2.189 2.103 2.298 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1738 1 65 LEU HA 1 65 LEU QD 2.450 . 2.450 1.992 1.942 2.044 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1739 1 65 LEU HA 1 65 LEU MD2 3.040 . 3.040 2.298 2.161 2.580 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1740 1 65 LEU HA 1 65 LEU HG 3.710 . 3.710 3.709 3.653 3.741 0.031 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
1741 1 65 LEU QB 1 65 LEU QD 2.840 . 2.840 2.068 2.053 2.084 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1742 1 65 LEU QB 1 66 GLN H 3.270 . 3.270 2.417 2.294 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1743 1 65 LEU QB 1 66 GLN QG 4.750 . 4.750 4.333 2.850 4.572 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1744 1 65 LEU QB 1 67 LYS H 4.560 . 4.560 2.353 2.006 4.352 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1745 1 65 LEU HB2 1 66 GLN H 3.870 . 3.870 2.690 2.487 2.862 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1746 1 65 LEU HB3 1 66 GLN H 3.870 . 3.870 2.749 2.551 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1747 1 65 LEU QD 1 66 GLN H 4.590 . 4.590 3.941 3.881 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1748 1 65 LEU HG 1 66 GLN H 4.820 . 4.820 4.812 4.685 4.873 0.053 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1749 1 66 GLN H 1 66 GLN HB2 4.130 . 4.130 3.457 2.410 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1750 1 66 GLN H 1 66 GLN QB 3.350 . 3.350 3.241 2.374 3.362 0.012 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
1751 1 66 GLN H 1 66 GLN HB3 4.130 . 4.130 3.979 2.522 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1752 1 66 GLN H 1 66 GLN QG 3.330 . 3.330 2.580 2.168 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1753 1 66 GLN H 1 67 LYS H 3.060 . 3.060 2.918 2.764 3.088 0.028 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1754 1 66 GLN HA 1 67 LYS H 3.200 . 3.200 2.905 2.581 3.244 0.044 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1755 1 67 LYS H 1 67 LYS HB2 3.700 . 3.700 2.659 2.069 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1756 1 67 LYS H 1 67 LYS QB 3.100 . 3.100 2.485 2.052 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1757 1 67 LYS H 1 67 LYS HB3 3.700 . 3.700 3.132 2.688 3.759 0.059 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1758 1 67 LYS H 1 67 LYS QG 4.470 . 4.470 3.939 2.550 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1759 1 67 LYS H 1 68 GLN H 3.670 . 3.670 2.641 1.816 3.790 0.120 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1760 1 67 LYS HA 1 68 GLN H 3.270 . 3.270 2.932 2.149 3.299 0.029 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
1761 1 67 LYS QB 1 68 GLN H 4.080 . 4.080 3.711 1.763 4.084 0.004 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
1762 1 67 LYS HB2 1 68 GLN H 4.800 . 4.800 4.294 2.094 4.695 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1763 1 67 LYS HB3 1 68 GLN H 4.800 . 4.800 4.075 1.898 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1764 1 68 GLN H 1 68 GLN HB2 3.960 . 3.960 3.051 2.415 3.908 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1765 1 68 GLN H 1 68 GLN QB 3.270 . 3.270 2.760 2.279 3.327 0.057 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1766 1 68 GLN H 1 68 GLN HB3 3.960 . 3.960 3.363 2.566 4.001 0.041 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1767 1 68 GLN H 1 68 GLN QG 4.260 . 4.260 3.694 2.128 4.312 0.052 15 0 "[ . 1 . 2 . 3 . 4 .]" 1
1768 1 68 GLN H 1 69 GLN H 4.060 . 4.060 3.484 2.569 4.240 0.180 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1769 1 68 GLN HA 1 69 GLN H 3.050 . 3.050 2.412 2.026 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1770 1 69 GLN H 1 69 GLN QB 3.550 . 3.550 2.493 2.058 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1771 1 69 GLN H 1 69 GLN QG 4.360 . 4.360 3.437 2.012 4.379 0.019 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
1772 2 3 MET H 2 4 VAL H 4.920 . 4.920 4.111 2.703 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1773 2 3 MET HA 2 4 VAL H 2.930 . 2.930 2.438 2.165 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1774 2 3 MET QB 2 4 VAL H 3.910 . 3.910 3.182 2.016 3.936 0.026 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1775 2 4 VAL H 2 4 VAL QG 3.150 . 3.150 2.350 1.799 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1776 2 4 VAL H 2 5 GLU H 5.240 . 5.240 4.285 2.542 4.682 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1777 2 4 VAL HA 2 4 VAL QG 3.240 . 3.240 2.249 2.128 2.378 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1778 2 4 VAL HA 2 5 GLU H 2.890 . 2.890 2.307 2.133 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1779 2 4 VAL HB 2 5 GLU H 4.400 . 4.400 3.553 2.135 4.416 0.016 7 0 "[ . 1 . 2 . 3 . 4 .]" 1
1780 2 4 VAL QG 2 5 GLU H 3.810 . 3.810 2.943 1.923 3.790 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1781 2 4 VAL QG 2 5 GLU HA 5.040 . 5.040 3.867 3.335 4.981 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1782 2 5 GLU H 2 5 GLU QB 3.370 . 3.370 2.640 2.164 3.372 0.002 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
1783 2 5 GLU HA 2 6 ALA H 3.040 . 3.040 2.478 2.112 3.113 0.073 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
1784 2 5 GLU QB 2 6 ALA H 4.110 . 4.110 3.248 2.029 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1785 2 6 ALA H 2 6 ALA MB 3.330 . 3.330 2.558 2.212 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1786 2 6 ALA HA 2 7 ARG H 3.120 . 3.120 2.470 2.140 3.141 0.021 8 0 "[ . 1 . 2 . 3 . 4 .]" 1
1787 2 6 ALA MB 2 7 ARG H 4.070 . 4.070 3.160 1.941 3.785 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1788 2 7 ARG H 2 7 ARG HB2 3.980 . 3.980 2.882 2.144 3.989 0.009 5 0 "[ . 1 . 2 . 3 . 4 .]" 1
1789 2 7 ARG H 2 7 ARG QB 3.480 . 3.480 2.650 2.123 3.442 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1790 2 7 ARG H 2 7 ARG HB3 3.980 . 3.980 3.446 2.511 3.989 0.009 8 0 "[ . 1 . 2 . 3 . 4 .]" 1
1791 2 7 ARG H 2 7 ARG QG 4.210 . 4.210 3.277 2.103 4.240 0.030 4 0 "[ . 1 . 2 . 3 . 4 .]" 1
1792 2 7 ARG HA 2 7 ARG QG 3.860 . 3.860 2.600 2.128 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1793 2 7 ARG HA 2 8 SER H 3.410 . 3.410 2.532 2.115 3.423 0.013 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1794 2 8 SER H 2 8 SER QB 3.620 . 3.620 2.800 2.253 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1795 2 8 SER HA 2 9 LEU H 2.990 . 2.990 2.463 2.145 3.005 0.015 16 0 "[ . 1 . 2 . 3 . 4 .]" 1
1796 2 8 SER QB 2 9 LEU H 4.210 . 4.210 3.245 2.274 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1797 2 9 LEU HA 2 10 ALA H 3.140 . 3.140 2.453 2.091 3.194 0.054 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1798 2 9 LEU QB 2 10 ALA H 3.970 . 3.970 3.389 1.842 3.998 0.028 24 0 "[ . 1 . 2 . 3 . 4 .]" 1
1799 2 9 LEU QD 2 10 ALA H 4.670 . 4.670 3.614 2.133 4.573 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1800 2 10 ALA H 2 10 ALA MB 3.140 . 3.140 2.535 2.238 2.786 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1801 2 10 ALA H 2 11 VAL H 4.200 . 4.200 3.451 2.129 4.236 0.036 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
1802 2 10 ALA H 2 11 VAL QG 4.980 . 4.980 3.575 2.531 4.887 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1803 2 10 ALA HA 2 11 VAL H 3.440 . 3.440 2.573 2.128 3.501 0.061 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1804 2 10 ALA MB 2 11 VAL H 3.630 . 3.630 3.339 2.431 3.750 0.120 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
1805 2 11 VAL H 2 11 VAL HB 4.000 . 4.000 3.550 2.713 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1806 2 11 VAL H 2 11 VAL QG 3.370 . 3.370 2.303 1.812 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1807 2 11 VAL H 2 12 ALA H 4.040 . 4.040 3.627 2.331 4.176 0.136 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
1808 2 11 VAL HA 2 12 ALA H 2.840 . 2.840 2.376 2.060 2.887 0.047 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1809 2 11 VAL HB 2 12 ALA H 4.580 . 4.580 4.151 2.130 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1810 2 11 VAL QG 2 12 ALA H 3.810 . 3.810 3.383 2.283 3.818 0.008 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1811 2 12 ALA H 2 12 ALA MB 3.130 . 3.130 2.532 2.203 2.985 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1812 2 12 ALA HA 2 13 MET H 3.530 . 3.530 2.644 2.085 3.536 0.006 16 0 "[ . 1 . 2 . 3 . 4 .]" 1
1813 2 12 ALA MB 2 13 MET H 4.330 . 4.330 3.030 1.799 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1814 2 13 MET H 2 13 MET QB 3.380 . 3.380 2.810 2.087 3.428 0.048 11 0 "[ . 1 . 2 . 3 . 4 .]" 1
1815 2 13 MET H 2 13 MET ME 4.890 . 4.890 4.320 3.016 5.021 0.131 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
1816 2 13 MET H 2 13 MET QG 4.270 . 4.270 2.858 1.992 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1817 2 13 MET HA 2 14 GLY H 3.280 . 3.280 2.637 2.184 3.316 0.036 17 0 "[ . 1 . 2 . 3 . 4 .]" 1
1818 2 13 MET QB 2 14 GLY QA 5.110 . 5.110 3.913 3.451 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1819 2 13 MET HB2 2 14 GLY H 4.950 . 4.950 3.528 2.015 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1820 2 13 MET HB3 2 14 GLY H 4.950 . 4.950 3.313 1.784 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1821 2 13 MET QG 2 14 GLY H 5.340 . 5.340 3.843 1.841 4.741 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1822 2 14 GLY QA 2 15 ASP H 2.850 . 2.850 2.479 2.108 2.934 0.084 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1823 2 14 GLY QA 2 16 THR H 4.910 . 4.910 3.854 2.922 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1824 2 15 ASP H 2 16 THR H 3.690 . 3.690 2.980 2.091 3.784 0.094 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
1825 2 15 ASP H 2 16 THR MG 4.250 . 4.250 3.849 2.707 4.435 0.185 18 0 "[ . 1 . 2 . 3 . 4 .]" 1
1826 2 15 ASP QB 2 16 THR H 4.110 . 4.110 3.332 1.987 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1827 2 15 ASP QB 2 17 VAL QG 4.420 . 4.420 3.632 2.106 4.517 0.097 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1828 2 15 ASP HB2 2 16 THR H 4.700 . 4.700 3.968 2.198 4.686 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1829 2 15 ASP HB2 2 17 VAL QG 5.090 . 5.090 4.380 2.192 5.273 0.183 18 0 "[ . 1 . 2 . 3 . 4 .]" 1
1830 2 15 ASP HB3 2 16 THR H 4.700 . 4.700 3.777 1.998 4.711 0.011 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1831 2 15 ASP HB3 2 17 VAL QG 5.090 . 5.090 4.043 2.137 5.552 0.462 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
1832 2 16 THR H 2 16 THR HB 4.050 . 4.050 3.729 2.806 4.076 0.026 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1833 2 16 THR H 2 16 THR MG 3.840 . 3.840 2.513 2.184 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1834 2 16 THR H 2 17 VAL H 3.460 . 3.460 2.830 1.896 3.464 0.004 11 0 "[ . 1 . 2 . 3 . 4 .]" 1
1835 2 16 THR H 2 17 VAL HA 5.450 . 5.450 4.983 4.059 5.476 0.026 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1836 2 16 THR H 2 17 VAL QG 4.630 . 4.630 3.721 2.523 4.615 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1837 2 16 THR HA 2 16 THR HB 2.730 . 2.730 2.508 2.373 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1838 2 16 THR HA 2 16 THR MG 2.990 . 2.990 2.414 2.255 3.236 0.246 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1839 2 16 THR HA 2 17 VAL H 3.540 . 3.540 2.942 2.479 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1840 2 16 THR HB 2 17 VAL H 4.870 . 4.870 4.446 4.159 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1841 2 16 THR HB 2 17 VAL QG 5.500 . 5.500 5.129 3.505 5.500 0.000 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
1842 2 16 THR MG 2 17 VAL H 4.350 . 4.350 4.270 2.880 4.449 0.099 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1843 2 17 VAL H 2 17 VAL HB 3.110 . 3.110 2.652 2.342 3.184 0.074 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1844 2 17 VAL H 2 17 VAL QG 3.230 . 3.230 2.146 1.843 2.824 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1845 2 17 VAL HA 2 18 VAL H 2.400 . 2.400 2.177 2.070 2.409 0.009 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
1846 2 17 VAL QG 2 18 VAL H 3.280 . 3.280 2.754 2.181 3.343 0.063 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
1847 2 17 VAL QG 2 19 GLU H 4.420 . 4.420 3.572 1.977 4.634 0.214 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
1848 2 18 VAL H 2 18 VAL HB 3.960 . 3.960 3.185 2.535 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1849 2 18 VAL H 2 18 VAL QG 3.470 . 3.470 2.415 1.851 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1850 2 18 VAL H 2 19 GLU H 4.180 . 4.180 3.930 2.851 4.273 0.093 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
1851 2 18 VAL HA 2 19 GLU H 2.440 . 2.440 2.209 1.952 2.579 0.139 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1852 2 18 VAL HB 2 19 GLU H 4.520 . 4.520 4.147 2.416 4.522 0.002 4 0 "[ . 1 . 2 . 3 . 4 .]" 1
1853 2 18 VAL QG 2 19 GLU H 4.300 . 4.300 3.179 2.214 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1854 2 19 GLU H 2 19 GLU QB 3.320 . 3.320 2.795 2.046 3.470 0.150 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1855 2 19 GLU H 2 19 GLU QG 4.240 . 4.240 3.370 1.939 4.244 0.004 27 0 "[ . 1 . 2 . 3 . 4 .]" 1
1856 2 21 ALA MB 2 23 LEU H 5.290 . 5.290 5.022 2.468 5.513 0.223 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1857 2 22 PRO HA 2 23 LEU H 3.130 . 3.130 2.383 2.097 3.234 0.104 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1858 2 22 PRO HB2 2 23 LEU H 3.980 . 3.980 3.182 2.281 4.033 0.053 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1859 2 22 PRO HB2 2 23 LEU HA 5.000 . 5.000 4.521 4.116 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1860 2 23 LEU H 2 23 LEU QB 3.470 . 3.470 2.827 2.402 3.457 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1861 2 23 LEU H 2 23 LEU MD1 4.930 . 4.930 3.822 2.654 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1862 2 23 LEU H 2 23 LEU QD 4.270 . 4.270 2.987 1.769 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1863 2 23 LEU H 2 23 LEU MD2 4.930 . 4.930 3.284 1.771 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1864 2 23 LEU H 2 23 LEU HG 3.510 . 3.510 2.623 1.886 3.562 0.052 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
1865 2 23 LEU HA 2 23 LEU QD 4.020 . 4.020 2.863 2.078 3.491 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1866 2 23 LEU HA 2 23 LEU HG 4.000 . 4.000 3.457 2.776 3.813 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1867 2 23 LEU HA 2 24 LYS H 2.620 . 2.620 2.306 2.047 2.656 0.036 23 0 "[ . 1 . 2 . 3 . 4 .]" 1
1868 2 23 LEU QB 2 24 LYS H 4.090 . 4.090 2.587 1.752 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1869 2 23 LEU QD 2 24 LYS H 4.190 . 4.190 3.378 2.740 4.430 0.240 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
1870 2 23 LEU MD1 2 24 LYS H 5.070 . 5.070 4.031 2.766 5.228 0.158 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
1871 2 23 LEU MD2 2 24 LYS H 5.070 . 5.070 4.124 2.837 5.034 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1872 2 24 LYS H 2 24 LYS HB2 3.900 . 3.900 3.184 2.155 3.906 0.006 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1873 2 24 LYS H 2 24 LYS QB 3.040 . 3.040 2.793 2.116 3.245 0.205 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1874 2 24 LYS H 2 24 LYS HB3 3.900 . 3.900 3.371 2.411 3.906 0.006 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
1875 2 24 LYS H 2 24 LYS QG 4.150 . 4.150 3.732 1.845 4.430 0.280 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
1876 2 25 PRO QB 2 26 THR H 3.670 . 3.670 3.211 1.721 3.909 0.239 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
1877 2 26 THR HA 2 26 THR MG 3.530 . 3.530 2.522 2.131 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1878 2 26 THR HA 2 27 SER H 3.310 . 3.310 2.741 2.104 3.353 0.043 25 0 "[ . 1 . 2 . 3 . 4 .]" 1
1879 2 26 THR HB 2 27 SER H 4.390 . 4.390 3.787 2.229 4.484 0.094 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
1880 2 27 SER H 2 27 SER QB 3.790 . 3.790 2.849 2.287 3.442 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1881 2 27 SER HA 2 28 GLU H 2.740 . 2.740 2.420 2.128 2.839 0.099 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1882 2 27 SER QB 2 28 GLU H 4.130 . 4.130 3.487 2.114 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1883 2 28 GLU H 2 28 GLU HB2 3.980 . 3.980 2.824 2.285 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1884 2 28 GLU H 2 28 GLU QB 3.100 . 3.100 2.557 2.259 3.110 0.010 16 0 "[ . 1 . 2 . 3 . 4 .]" 1
1885 2 28 GLU H 2 28 GLU HB3 3.980 . 3.980 3.290 2.495 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1886 2 28 GLU H 2 28 GLU QG 4.590 . 4.590 3.282 1.917 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1887 2 28 GLU HA 2 29 PRO HD2 2.990 . 2.990 2.413 2.217 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1888 2 28 GLU HA 2 29 PRO QD 2.550 . 2.550 2.223 2.119 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1889 2 28 GLU HA 2 29 PRO HD3 2.990 . 2.990 2.671 2.403 2.997 0.007 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
1890 2 29 PRO HA 2 30 THR H 2.510 . 2.510 2.246 2.099 2.430 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1891 2 29 PRO HA 2 30 THR MG 4.020 . 4.020 3.751 3.432 4.137 0.117 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1892 2 29 PRO QB 2 30 THR H 3.740 . 3.740 3.115 2.608 3.825 0.085 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
1893 2 29 PRO QG 2 30 THR H 4.780 . 4.780 4.470 4.109 4.757 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1894 2 30 THR H 2 30 THR MG 3.270 . 3.270 2.456 1.878 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1895 2 30 THR HA 2 31 SER H 3.520 . 3.520 2.897 2.171 3.490 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1896 2 30 THR HB 2 31 SER H 4.730 . 4.730 4.039 1.996 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1897 2 31 SER HA 2 32 GLY H 3.070 . 3.070 2.604 2.196 3.152 0.082 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1898 2 31 SER QB 2 32 GLY H 4.270 . 4.270 2.836 1.872 4.117 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1899 2 32 GLY H 2 33 PRO QD 4.910 . 4.910 4.446 4.345 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1900 2 32 GLY QA 2 33 PRO QD 2.640 . 2.640 2.172 2.079 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1901 2 32 GLY HA2 2 33 PRO HD2 3.530 . 3.530 2.940 2.708 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1902 2 32 GLY HA2 2 33 PRO HD3 3.530 . 3.530 2.657 2.380 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1903 2 32 GLY HA3 2 33 PRO HD2 3.530 . 3.530 2.521 2.253 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1904 2 32 GLY HA3 2 33 PRO HD3 3.530 . 3.530 3.317 3.025 3.538 0.008 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
1905 2 33 PRO HA 2 34 PRO HD2 3.480 . 3.480 2.607 2.456 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1906 2 33 PRO HA 2 34 PRO HD3 3.480 . 3.480 2.517 2.229 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1907 2 33 PRO QB 2 34 PRO QD 3.730 . 3.730 2.499 2.192 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1908 2 34 PRO HA 2 35 GLY H 3.230 . 3.230 2.526 2.161 3.311 0.081 29 0 "[ . 1 . 2 . 3 . 4 .]" 1
1909 2 38 GLY QA 2 39 GLY H 3.170 . 3.170 2.289 2.119 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1910 2 39 GLY QA 2 40 SER H 3.300 . 3.300 2.495 2.110 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1911 2 40 SER H 2 40 SER QB 3.800 . 3.800 2.864 2.369 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1912 2 40 SER H 2 41 LEU H 4.000 . 4.000 3.484 2.778 4.217 0.217 24 0 "[ . 1 . 2 . 3 . 4 .]" 1
1913 2 40 SER HA 2 41 LEU H 2.990 . 2.990 2.514 2.052 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1914 2 40 SER QB 2 41 LEU H 3.990 . 3.990 3.758 2.066 4.045 0.055 29 0 "[ . 1 . 2 . 3 . 4 .]" 1
1915 2 40 SER QB 2 42 LEU H 5.500 . 5.500 4.375 3.214 5.405 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1916 2 41 LEU H 2 41 LEU QB 3.260 . 3.260 2.610 2.075 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1917 2 41 LEU H 2 41 LEU MD1 5.370 . 5.370 4.180 2.706 4.545 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1918 2 41 LEU H 2 41 LEU QD 4.450 . 4.450 3.511 1.796 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1919 2 41 LEU H 2 41 LEU MD2 5.370 . 5.370 3.995 1.798 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1920 2 41 LEU H 2 42 LEU H 3.540 . 3.540 3.138 1.938 3.580 0.040 13 0 "[ . 1 . 2 . 3 . 4 .]" 1
1921 2 41 LEU H 2 42 LEU MD1 5.500 . 5.500 4.797 2.726 5.824 0.324 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1922 2 41 LEU H 2 42 LEU QD 4.830 . 4.830 3.593 2.399 4.744 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1923 2 41 LEU H 2 42 LEU MD2 5.500 . 5.500 3.848 2.404 5.207 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1924 2 41 LEU HA 2 41 LEU QD 4.050 . 4.050 2.364 1.970 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1925 2 41 LEU HA 2 41 LEU HG 4.260 . 4.260 3.221 2.434 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1926 2 41 LEU HA 2 42 LEU H 3.010 . 3.010 2.597 2.207 3.150 0.140 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1927 2 41 LEU QD 2 42 LEU H 4.570 . 4.570 3.890 2.630 4.518 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1928 2 42 LEU H 2 42 LEU QB 3.330 . 3.330 2.822 2.397 3.430 0.100 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1929 2 42 LEU H 2 42 LEU MD1 4.780 . 4.780 3.975 2.039 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1930 2 42 LEU H 2 42 LEU QD 4.030 . 4.030 3.100 2.034 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1931 2 42 LEU H 2 42 LEU MD2 4.780 . 4.780 3.416 2.092 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1932 2 42 LEU H 2 42 LEU HG 3.590 . 3.590 2.912 2.236 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1933 2 42 LEU H 2 43 SER QB 5.500 . 5.500 5.101 4.366 5.562 0.062 36 0 "[ . 1 . 2 . 3 . 4 .]" 1
1934 2 42 LEU HA 2 42 LEU QD 4.170 . 4.170 2.616 2.115 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1935 2 42 LEU HA 2 43 SER H 2.790 . 2.790 2.306 2.112 2.799 0.009 6 0 "[ . 1 . 2 . 3 . 4 .]" 1
1936 2 42 LEU QB 2 43 SER H 3.570 . 3.570 2.695 1.836 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1937 2 42 LEU QD 2 43 SER H 4.310 . 4.310 3.530 3.107 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1938 2 42 LEU MD1 2 43 SER H 5.120 . 5.120 4.444 3.147 5.152 0.032 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
1939 2 42 LEU MD2 2 43 SER H 5.120 . 5.120 3.955 3.384 4.887 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1940 2 43 SER H 2 43 SER QB 3.410 . 3.410 2.980 2.659 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1941 2 43 SER H 2 44 VAL H 4.270 . 4.270 4.256 3.753 4.328 0.058 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1942 2 43 SER H 2 44 VAL HA 5.020 . 5.020 4.507 4.129 4.783 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1943 2 43 SER H 2 44 VAL QG 5.180 . 5.180 4.231 3.419 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1944 2 43 SER HA 2 44 VAL H 2.760 . 2.760 2.368 2.176 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1945 2 43 SER QB 2 44 VAL H 3.720 . 3.720 2.935 2.352 3.740 0.020 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
1946 2 43 SER QB 2 44 VAL QG 4.720 . 4.720 4.338 3.621 4.741 0.021 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1947 2 44 VAL H 2 44 VAL HB 3.710 . 3.710 2.877 2.460 3.724 0.014 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
1948 2 44 VAL H 2 44 VAL QG 2.930 . 2.930 2.541 1.946 2.933 0.003 10 0 "[ . 1 . 2 . 3 . 4 .]" 1
1949 2 44 VAL HA 2 44 VAL QG 2.790 . 2.790 2.199 2.123 2.337 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1950 2 44 VAL HA 2 45 ILE H 2.630 . 2.630 2.228 2.136 2.387 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1951 2 44 VAL HA 2 45 ILE HB 4.850 . 4.850 4.704 4.495 4.865 0.015 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
1952 2 44 VAL HA 2 45 ILE MD 4.350 . 4.350 3.834 2.967 4.483 0.133 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
1953 2 44 VAL HB 2 45 ILE H 4.360 . 4.360 4.056 2.465 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1954 2 44 VAL QG 2 45 ILE H 3.550 . 3.550 2.616 2.194 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1955 2 45 ILE H 2 45 ILE HB 2.980 . 2.980 2.531 2.445 2.620 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1956 2 45 ILE H 2 45 ILE MD 3.850 . 3.850 2.785 1.936 3.699 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1957 2 45 ILE H 2 45 ILE HG12 3.900 . 3.900 3.264 2.125 4.033 0.133 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
1958 2 45 ILE H 2 45 ILE QG 3.270 . 3.270 2.524 2.110 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1959 2 45 ILE H 2 45 ILE HG13 3.900 . 3.900 3.156 2.239 3.944 0.044 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1960 2 45 ILE HA 2 45 ILE MD 3.860 . 3.860 3.090 2.163 3.934 0.074 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
1961 2 45 ILE HA 2 45 ILE HG12 3.840 . 3.840 3.255 2.659 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1962 2 45 ILE HA 2 45 ILE QG 3.360 . 3.360 2.683 2.330 3.095 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1963 2 45 ILE HA 2 45 ILE HG13 3.840 . 3.840 3.061 2.377 3.842 0.002 10 0 "[ . 1 . 2 . 3 . 4 .]" 1
1964 2 45 ILE HA 2 45 ILE MG 2.910 . 2.910 2.414 2.364 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1965 2 45 ILE HA 2 46 THR H 2.590 . 2.590 2.180 2.119 2.262 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1966 2 45 ILE HB 2 45 ILE MD 3.240 . 3.240 2.692 2.189 3.314 0.074 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
1967 2 45 ILE HB 2 46 THR HA 4.880 . 4.880 4.771 4.480 4.911 0.031 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
1968 2 45 ILE QG 2 45 ILE MG 2.730 . 2.730 2.182 2.054 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1969 2 45 ILE HG12 2 45 ILE MG 3.170 . 3.170 2.614 2.105 3.283 0.113 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
1970 2 45 ILE HG13 2 45 ILE MG 3.170 . 3.170 2.682 2.309 3.210 0.040 12 0 "[ . 1 . 2 . 3 . 4 .]" 1
1971 2 45 ILE MG 2 46 THR H 3.220 . 3.220 2.824 2.522 3.174 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1972 2 45 ILE MG 2 46 THR HA 4.730 . 4.730 3.753 3.205 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1973 2 45 ILE MG 2 46 THR HB 5.500 . 5.500 5.101 4.792 5.504 0.004 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
1974 2 45 ILE MG 2 47 GLU H 3.760 . 3.760 2.635 1.976 3.848 0.088 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
1975 2 46 THR H 2 46 THR HB 4.210 . 4.210 3.226 2.762 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1976 2 46 THR H 2 46 THR MG 3.170 . 3.170 2.424 2.106 3.290 0.120 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
1977 2 46 THR H 2 47 GLU H 3.740 . 3.740 2.417 1.720 3.884 0.144 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
1978 2 46 THR H 2 47 GLU QB 4.310 . 4.310 4.066 3.248 4.389 0.079 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
1979 2 46 THR HA 2 46 THR MG 3.120 . 3.120 2.943 2.061 3.261 0.141 40 0 "[ . 1 . 2 . 3 . 4 .]" 1
1980 2 46 THR HA 2 47 GLU H 3.150 . 3.150 2.908 1.987 3.438 0.288 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
1981 2 46 THR HB 2 47 GLU H 4.160 . 4.160 4.137 2.796 4.250 0.090 34 0 "[ . 1 . 2 . 3 . 4 .]" 1
1982 2 46 THR MG 2 47 GLU H 3.710 . 3.710 3.325 2.696 4.129 0.419 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1983 2 46 THR MG 2 48 GLY H 4.880 . 4.880 3.339 1.901 4.918 0.038 4 0 "[ . 1 . 2 . 3 . 4 .]" 1
1984 2 47 GLU H 2 47 GLU QB 3.280 . 3.280 2.656 2.128 3.010 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1985 2 47 GLU H 2 47 GLU QG 4.890 . 4.890 3.783 1.905 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1986 2 47 GLU H 2 48 GLY H 3.400 . 3.400 2.863 1.993 3.400 . 4 0 "[ . 1 . 2 . 3 . 4 .]" 1
1987 2 47 GLU HA 2 48 GLY H 3.060 . 3.060 2.881 2.460 3.133 0.073 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
1988 2 47 GLU HA 2 49 VAL H 4.230 . 4.230 3.493 2.941 4.281 0.051 27 0 "[ . 1 . 2 . 3 . 4 .]" 1
1989 2 47 GLU HA 2 49 VAL QG 5.440 . 5.440 3.952 2.799 5.338 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1990 2 47 GLU QB 2 48 GLY H 4.230 . 4.230 3.882 3.524 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1991 2 47 GLU HB2 2 48 GLY H 4.890 . 4.890 4.488 3.972 4.666 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1992 2 47 GLU HB3 2 48 GLY H 4.890 . 4.890 4.259 3.941 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1993 2 47 GLU QG 2 48 GLY H 4.670 . 4.670 4.420 3.255 4.723 0.053 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
1994 2 47 GLU QG 2 48 GLY QA 5.500 . 5.500 4.581 3.441 5.553 0.053 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
1995 2 48 GLY H 2 48 GLY QA 2.670 . 2.670 2.288 2.214 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1996 2 48 GLY H 2 49 VAL H 3.210 . 3.210 2.914 2.334 3.295 0.085 29 0 "[ . 1 . 2 . 3 . 4 .]" 1
1997 2 48 GLY H 2 49 VAL HB 5.150 . 5.150 4.709 3.870 5.191 0.041 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
1998 2 48 GLY H 2 49 VAL QG 4.470 . 4.470 3.466 2.753 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
1999 2 48 GLY QA 2 49 VAL H 2.860 . 2.860 2.806 2.420 2.970 0.110 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
2000 2 48 GLY QA 2 49 VAL HB 5.500 . 5.500 4.629 3.901 5.049 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2001 2 48 GLY QA 2 49 VAL QG 4.240 . 4.240 3.755 3.220 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2002 2 49 VAL H 2 49 VAL HB 3.500 . 3.500 2.986 2.439 3.506 0.006 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
2003 2 49 VAL H 2 49 VAL QG 2.900 . 2.900 2.491 1.977 2.931 0.031 18 0 "[ . 1 . 2 . 3 . 4 .]" 1
2004 2 49 VAL HA 2 49 VAL QG 3.090 . 3.090 2.235 2.130 2.344 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2005 2 49 VAL HA 2 50 GLY H 2.690 . 2.690 2.230 2.125 2.393 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2006 2 49 VAL HB 2 50 GLY H 4.550 . 4.550 4.195 4.032 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2007 2 49 VAL QG 2 50 GLY H 3.360 . 3.360 2.568 2.156 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2008 2 49 VAL QG 2 50 GLY QA 3.910 . 3.910 3.166 2.940 3.657 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2009 2 49 VAL QG 2 51 GLU H 5.300 . 5.300 4.077 2.160 5.006 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2010 2 50 GLY H 2 50 GLY QA 2.580 . 2.580 2.408 2.217 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2011 2 50 GLY H 2 51 GLU H 3.460 . 3.460 2.686 1.775 3.503 0.043 10 0 "[ . 1 . 2 . 3 . 4 .]" 1
2012 2 50 GLY H 2 51 GLU QB 5.170 . 5.170 4.439 3.143 5.352 0.182 19 0 "[ . 1 . 2 . 3 . 4 .]" 1
2013 2 50 GLY QA 2 51 GLU H 2.670 . 2.670 2.482 2.085 2.776 0.106 4 0 "[ . 1 . 2 . 3 . 4 .]" 1
2014 2 50 GLY QA 2 51 GLU QB 4.630 . 4.630 4.225 3.567 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2015 2 50 GLY QA 2 51 GLU QG 5.500 . 5.500 4.427 3.369 5.551 0.051 9 0 "[ . 1 . 2 . 3 . 4 .]" 1
2016 2 51 GLU H 2 51 GLU HB2 3.810 . 3.810 2.627 2.104 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2017 2 51 GLU H 2 51 GLU QB 2.990 . 2.990 2.443 2.084 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2018 2 51 GLU H 2 51 GLU HB3 3.810 . 3.810 3.387 2.464 3.881 0.071 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
2019 2 51 GLU H 2 51 GLU QG 3.920 . 3.920 3.032 2.032 4.122 0.202 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
2020 2 51 GLU QB 2 52 LEU H 3.480 . 3.480 2.493 1.680 3.512 0.032 35 0 "[ . 1 . 2 . 3 . 4 .]" 1
2021 2 51 GLU QB 2 53 SER H 5.340 . 5.340 4.912 2.964 5.405 0.065 14 0 "[ . 1 . 2 . 3 . 4 .]" 1
2022 2 51 GLU HB2 2 52 LEU H 4.180 . 4.180 3.489 1.978 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2023 2 51 GLU HB3 2 52 LEU H 4.180 . 4.180 2.753 1.805 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2024 2 51 GLU QG 2 52 LEU H 3.880 . 3.880 3.570 1.822 4.006 0.126 16 0 "[ . 1 . 2 . 3 . 4 .]" 1
2025 2 52 LEU H 2 52 LEU QB 3.030 . 3.030 2.642 2.068 3.033 0.003 16 0 "[ . 1 . 2 . 3 . 4 .]" 1
2026 2 52 LEU H 2 52 LEU QD 5.180 . 5.180 3.838 3.039 4.111 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2027 2 52 LEU HA 2 53 SER H 3.470 . 3.470 2.538 1.955 3.570 0.100 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
2028 2 52 LEU QB 2 53 SER H 4.050 . 4.050 3.213 1.802 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2029 2 52 LEU QD 2 53 SER H 3.600 . 3.600 2.813 1.801 3.886 0.286 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
2030 2 52 LEU QD 2 53 SER QB 5.110 . 5.110 4.015 2.501 4.882 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2031 2 52 LEU MD1 2 53 SER H 4.420 . 4.420 3.103 1.806 4.454 0.034 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
2032 2 52 LEU MD2 2 53 SER H 4.420 . 4.420 4.127 2.759 4.704 0.284 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
2033 2 52 LEU HG 2 53 SER H 3.720 . 3.720 3.023 2.292 3.743 0.023 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
2034 2 53 SER H 2 53 SER QB 3.260 . 3.260 2.862 2.377 3.361 0.101 3 0 "[ . 1 . 2 . 3 . 4 .]" 1
2035 2 53 SER H 2 54 VAL H 3.940 . 3.940 3.624 3.017 4.133 0.193 28 0 "[ . 1 . 2 . 3 . 4 .]" 1
2036 2 53 SER HA 2 54 VAL H 3.130 . 3.130 2.390 2.148 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2037 2 53 SER QB 2 54 VAL H 3.980 . 3.980 3.813 2.590 4.010 0.030 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
2038 2 53 SER QB 2 55 ILE MD 4.990 . 4.990 4.012 2.210 4.999 0.009 7 0 "[ . 1 . 2 . 3 . 4 .]" 1
2039 2 53 SER QB 2 55 ILE MG 5.480 . 5.480 5.049 4.033 5.542 0.062 15 0 "[ . 1 . 2 . 3 . 4 .]" 1
2040 2 54 VAL H 2 54 VAL HB 3.490 . 3.490 2.916 2.220 3.621 0.131 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
2041 2 54 VAL H 2 54 VAL QG 3.010 . 3.010 2.023 1.722 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2042 2 54 VAL H 2 55 ILE H 3.530 . 3.530 2.816 2.335 3.417 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2043 2 54 VAL H 2 55 ILE MD 5.260 . 5.260 4.615 2.528 5.190 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2044 2 54 VAL H 2 55 ILE MG 4.780 . 4.780 3.691 3.115 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2045 2 54 VAL HA 2 54 VAL QG 2.550 . 2.550 2.243 2.115 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2046 2 54 VAL HA 2 55 ILE H 3.480 . 3.480 3.055 2.644 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2047 2 54 VAL HB 2 55 ILE H 4.590 . 4.590 4.367 3.808 4.593 0.003 13 0 "[ . 1 . 2 . 3 . 4 .]" 1
2048 2 54 VAL HB 2 55 ILE MG 5.500 . 5.500 4.338 2.679 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2049 2 54 VAL QG 2 55 ILE H 3.670 . 3.670 3.347 2.872 3.753 0.083 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
2050 2 55 ILE H 2 55 ILE MD 4.010 . 4.010 3.697 1.831 4.085 0.075 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
2051 2 55 ILE H 2 55 ILE HG12 3.900 . 3.900 2.491 1.842 3.601 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2052 2 55 ILE H 2 55 ILE HG13 3.900 . 3.900 2.843 2.561 3.958 0.058 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
2053 2 55 ILE H 2 55 ILE MG 3.750 . 3.750 3.028 2.231 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2054 2 55 ILE HA 2 55 ILE MD 4.320 . 4.320 4.192 3.703 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2055 2 55 ILE HA 2 55 ILE MG 3.390 . 3.390 2.358 2.295 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2056 2 55 ILE HB 2 55 ILE MD 3.390 . 3.390 2.473 2.322 3.334 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2057 2 55 ILE HB 2 56 ASP H 2.950 . 2.950 2.401 2.193 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2058 2 55 ILE MD 2 55 ILE MG 2.840 . 2.840 2.216 2.119 2.318 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2059 2 55 ILE MD 2 56 ASP H 4.290 . 4.290 4.169 3.966 4.356 0.066 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
2060 2 55 ILE MD 2 56 ASP HA 5.260 . 5.260 5.067 4.729 5.208 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2061 2 55 ILE MD 2 57 PRO HA 3.970 . 3.970 2.804 2.379 3.435 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2062 2 55 ILE MD 2 57 PRO QB 4.070 . 4.070 3.253 2.476 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2063 2 55 ILE MD 2 57 PRO QD 4.190 . 4.190 4.127 3.617 4.349 0.159 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
2064 2 55 ILE MD 2 60 ALA H 5.500 . 5.500 4.546 3.984 5.552 0.052 20 0 "[ . 1 . 2 . 3 . 4 .]" 1
2065 2 55 ILE QG 2 55 ILE MG 3.150 . 3.150 2.315 2.213 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2066 2 55 ILE QG 2 60 ALA MB 5.070 . 5.070 3.778 2.340 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2067 2 55 ILE MG 2 56 ASP H 4.020 . 4.020 3.644 3.475 3.946 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2068 2 56 ASP H 2 56 ASP QB 3.700 . 3.700 2.317 2.215 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2069 2 56 ASP HA 2 57 PRO QB 4.980 . 4.980 4.674 4.567 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2070 2 56 ASP HA 2 57 PRO QG 4.430 . 4.430 4.088 4.000 4.170 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2071 2 56 ASP QB 2 57 PRO QD 4.400 . 4.400 3.600 3.371 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2072 2 56 ASP QB 2 59 VAL H 4.640 . 4.640 2.969 2.500 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2073 2 56 ASP QB 2 59 VAL HB 4.100 . 4.100 2.969 2.234 4.249 0.149 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
2074 2 56 ASP QB 2 59 VAL QG 3.220 . 3.220 2.342 1.931 3.064 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2075 2 56 ASP HB2 2 59 VAL MG1 5.200 . 5.200 3.772 2.088 5.168 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2076 2 56 ASP HB2 2 59 VAL MG2 5.200 . 5.200 3.459 2.625 4.630 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2077 2 56 ASP HB3 2 59 VAL MG1 5.200 . 5.200 3.886 2.146 5.149 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2078 2 56 ASP HB3 2 59 VAL MG2 5.200 . 5.200 3.216 2.208 5.140 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2079 2 57 PRO HA 2 60 ALA H 5.430 . 5.430 3.347 3.131 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2080 2 57 PRO HA 2 60 ALA MB 4.350 . 4.350 2.286 2.150 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2081 2 57 PRO HA 2 61 GLN QB 5.500 . 5.500 4.785 4.522 5.012 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2082 2 57 PRO QD 2 58 GLU H 4.140 . 4.140 2.775 2.606 2.966 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2083 2 57 PRO QG 2 58 GLU H 3.640 . 3.640 2.521 2.397 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2084 2 58 GLU H 2 58 GLU HB2 3.930 . 3.930 2.792 2.389 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2085 2 58 GLU H 2 58 GLU QB 3.310 . 3.310 2.520 2.355 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2086 2 58 GLU H 2 58 GLU HB3 3.930 . 3.930 3.383 2.450 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2087 2 58 GLU H 2 58 GLU HG2 3.860 . 3.860 2.915 1.838 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2088 2 58 GLU H 2 58 GLU QG 3.330 . 3.330 2.064 1.796 2.376 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2089 2 58 GLU H 2 58 GLU HG3 3.860 . 3.860 2.325 1.905 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2090 2 58 GLU H 2 59 VAL H 3.580 . 3.580 2.629 2.391 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2091 2 58 GLU H 2 59 VAL QG 4.200 . 4.200 3.904 3.641 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2092 2 58 GLU H 2 60 ALA H 4.640 . 4.640 3.831 3.644 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2093 2 58 GLU HA 2 58 GLU HG2 3.880 . 3.880 2.861 2.317 3.912 0.032 2 0 "[ . 1 . 2 . 3 . 4 .]" 1
2094 2 58 GLU HA 2 58 GLU HG3 3.880 . 3.880 3.352 2.883 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2095 2 58 GLU HA 2 59 VAL QG 5.440 . 5.440 4.762 4.628 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2096 2 58 GLU HA 2 61 GLN H 5.500 . 5.500 3.375 3.047 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2097 2 58 GLU QB 2 59 VAL H 4.080 . 4.080 2.660 2.222 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2098 2 58 GLU QG 2 59 VAL H 4.510 . 4.510 3.444 1.794 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2099 2 58 GLU QG 2 59 VAL QG 4.750 . 4.750 4.004 2.203 4.801 0.051 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
2100 2 58 GLU QG 2 60 ALA H 5.220 . 5.220 5.053 3.952 5.391 0.171 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
2101 2 59 VAL H 2 59 VAL HB 3.820 . 3.820 2.614 2.418 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2102 2 59 VAL H 2 59 VAL MG1 4.010 . 4.010 3.328 1.830 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2103 2 59 VAL H 2 59 VAL QG 2.840 . 2.840 2.072 1.826 2.257 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2104 2 59 VAL H 2 59 VAL MG2 4.010 . 4.010 2.540 2.049 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2105 2 59 VAL H 2 60 ALA H 3.860 . 3.860 2.467 2.296 2.619 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2106 2 59 VAL H 2 60 ALA MB 4.540 . 4.540 4.158 3.974 4.305 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2107 2 59 VAL H 2 61 GLN H 4.640 . 4.640 4.070 3.830 4.337 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2108 2 59 VAL HA 2 59 VAL MG1 3.680 . 3.680 2.619 2.348 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2109 2 59 VAL HA 2 59 VAL QG 3.030 . 3.030 2.234 2.135 2.560 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2110 2 59 VAL HA 2 59 VAL MG2 3.680 . 3.680 2.456 2.361 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2111 2 59 VAL HA 2 62 LYS H 4.600 . 4.600 3.476 3.100 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2112 2 59 VAL HA 2 62 LYS QB 3.730 . 3.730 2.940 2.440 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2113 2 59 VAL HB 2 60 ALA H 4.380 . 4.380 3.041 2.509 4.322 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2114 2 59 VAL QG 2 60 ALA HA 3.990 . 3.990 3.452 3.052 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2115 2 59 VAL QG 2 60 ALA MB 4.690 . 4.690 3.763 2.953 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2116 2 59 VAL QG 2 61 GLN H 5.440 . 5.440 4.566 4.205 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2117 2 59 VAL QG 2 62 LYS QB 3.980 . 3.980 3.614 3.316 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2118 2 59 VAL QG 2 63 ALA MB 3.850 . 3.850 3.166 2.928 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2119 2 59 VAL MG1 2 60 ALA H 3.880 . 3.880 3.267 2.110 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2120 2 59 VAL MG1 2 60 ALA HA 5.500 . 5.500 3.646 3.384 4.249 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2121 2 59 VAL MG2 2 60 ALA H 3.880 . 3.880 3.733 3.387 3.947 0.067 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
2122 2 59 VAL MG2 2 60 ALA HA 5.500 . 5.500 4.927 3.240 5.463 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2123 2 60 ALA H 2 60 ALA MB 2.980 . 2.980 2.218 2.153 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2124 2 60 ALA H 2 61 GLN H 4.050 . 4.050 2.694 2.559 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2125 2 60 ALA H 2 61 GLN QB 5.500 . 5.500 4.438 4.249 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2126 2 60 ALA H 2 62 LYS H 4.450 . 4.450 4.292 4.083 4.475 0.025 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
2127 2 60 ALA HA 2 63 ALA H 4.840 . 4.840 3.389 3.194 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2128 2 60 ALA HA 2 63 ALA MB 3.370 . 3.370 2.427 2.233 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2129 2 60 ALA MB 2 61 GLN H 3.480 . 3.480 2.648 2.491 2.817 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2130 2 60 ALA MB 2 62 LYS H 4.790 . 4.790 4.669 4.541 4.784 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2131 2 60 ALA MB 2 63 ALA H 4.700 . 4.700 4.583 4.449 4.751 0.051 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
2132 2 60 ALA MB 2 64 CYS H 4.760 . 4.760 4.542 4.207 4.791 0.031 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
2133 2 61 GLN H 2 61 GLN QB 3.170 . 3.170 2.219 2.104 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2134 2 61 GLN H 2 61 GLN QG 4.060 . 4.060 3.982 3.088 4.070 0.010 6 0 "[ . 1 . 2 . 3 . 4 .]" 1
2135 2 61 GLN H 2 62 LYS H 3.190 . 3.190 2.736 2.646 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2136 2 61 GLN HA 2 64 CYS QB 4.360 . 4.360 3.886 3.333 4.353 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2137 2 61 GLN HA 2 65 GLN H 4.230 . 4.230 4.203 4.055 4.321 0.091 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
2138 2 61 GLN QB 2 62 LYS H 3.720 . 3.720 2.492 2.298 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2139 2 61 GLN QB 2 63 ALA H 4.630 . 4.630 4.640 4.516 4.706 0.076 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
2140 2 61 GLN QG 2 62 LYS H 4.570 . 4.570 3.831 3.568 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2141 2 61 GLN QG 2 65 GLN H 5.210 . 5.210 4.490 4.204 5.333 0.123 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
2142 2 62 LYS H 2 62 LYS QB 3.410 . 3.410 2.393 2.297 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2143 2 62 LYS H 2 62 LYS QD 4.610 . 4.610 3.765 3.340 4.270 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2144 2 62 LYS H 2 62 LYS HG2 4.110 . 4.110 3.059 2.193 3.748 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2145 2 62 LYS H 2 62 LYS QG 3.600 . 3.600 2.352 2.130 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2146 2 62 LYS H 2 62 LYS HG3 4.110 . 4.110 2.953 2.147 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2147 2 62 LYS H 2 63 ALA H 3.760 . 3.760 2.621 2.507 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2148 2 62 LYS HA 2 62 LYS QD 4.230 . 4.230 3.174 1.964 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2149 2 62 LYS HA 2 62 LYS HG2 3.940 . 3.940 2.725 2.288 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2150 2 62 LYS HA 2 62 LYS QG 3.430 . 3.430 2.603 2.247 3.068 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2151 2 62 LYS HA 2 62 LYS HG3 3.940 . 3.940 3.348 2.762 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2152 2 62 LYS QB 2 63 ALA H 3.780 . 3.780 2.582 2.372 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2153 2 62 LYS QB 2 63 ALA MB 4.660 . 4.660 3.816 3.611 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2154 2 62 LYS QE 2 62 LYS QG 3.260 . 3.260 2.235 2.079 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2155 2 63 ALA H 2 63 ALA MB 3.150 . 3.150 2.218 2.176 2.265 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2156 2 63 ALA H 2 64 CYS H 4.080 . 4.080 2.827 2.704 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2157 2 63 ALA HA 2 66 GLU H 4.480 . 4.480 3.652 3.421 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2158 2 63 ALA HA 2 66 GLU QB 4.120 . 4.120 3.082 2.613 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2159 2 63 ALA HA 2 67 VAL QG 4.640 . 4.640 4.052 3.816 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2160 2 63 ALA MB 2 64 CYS H 3.650 . 3.650 2.601 2.379 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2161 2 63 ALA MB 2 64 CYS HA 5.060 . 5.060 3.828 3.733 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2162 2 63 ALA MB 2 64 CYS QB 4.870 . 4.870 3.878 3.706 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2163 2 63 ALA MB 2 65 GLN H 4.740 . 4.740 4.505 4.391 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2164 2 63 ALA MB 2 67 VAL QG 4.090 . 4.090 3.591 3.435 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2165 2 64 CYS H 2 65 GLN H 3.990 . 3.990 2.583 2.476 2.749 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2166 2 64 CYS H 2 68 LEU QD 5.440 . 5.440 5.324 5.049 5.570 0.130 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
2167 2 64 CYS HA 2 66 GLU H 5.300 . 5.300 4.404 4.170 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2168 2 64 CYS HA 2 67 VAL H 4.440 . 4.440 3.265 3.047 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2169 2 64 CYS HA 2 67 VAL HB 4.640 . 4.640 2.571 2.293 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2170 2 64 CYS HA 2 67 VAL MG1 4.710 . 4.710 3.976 3.641 4.321 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2171 2 64 CYS HA 2 67 VAL QG 3.600 . 3.600 3.010 2.677 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2172 2 64 CYS HA 2 67 VAL MG2 4.710 . 4.710 3.124 2.739 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2173 2 64 CYS HA 2 68 LEU H 5.500 . 5.500 4.028 3.781 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2174 2 64 CYS QB 2 65 GLN H 4.030 . 4.030 3.573 3.490 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2175 2 64 CYS QB 2 68 LEU QD 3.630 . 3.630 3.038 2.523 3.485 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2176 2 64 CYS HB2 2 65 GLN H 4.790 . 4.790 4.018 3.813 4.178 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2177 2 64 CYS HB3 2 65 GLN H 4.790 . 4.790 4.012 3.775 4.161 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2178 2 65 GLN H 2 65 GLN QB 3.460 . 3.460 2.259 2.106 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2179 2 65 GLN H 2 65 GLN QG 4.220 . 4.220 3.470 2.284 4.079 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2180 2 65 GLN H 2 66 GLU H 3.880 . 3.880 2.746 2.609 2.876 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2181 2 65 GLN HA 2 68 LEU HB2 4.590 . 4.590 2.912 2.412 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2182 2 65 GLN HA 2 68 LEU QD 3.530 . 3.530 2.888 2.251 3.425 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2183 2 65 GLN QB 2 66 GLU H 3.800 . 3.800 2.494 2.240 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2184 2 66 GLU H 2 66 GLU HB2 4.140 . 4.140 2.351 2.040 2.566 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2185 2 66 GLU H 2 66 GLU QB 3.340 . 3.340 2.263 2.019 2.436 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2186 2 66 GLU H 2 66 GLU HB3 4.140 . 4.140 3.188 2.423 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2187 2 66 GLU H 2 66 GLU QG 4.100 . 4.100 3.138 2.242 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2188 2 66 GLU H 2 67 VAL H 3.400 . 3.400 2.738 2.611 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2189 2 66 GLU H 2 67 VAL QG 4.410 . 4.410 4.252 4.043 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2190 2 66 GLU HA 2 69 GLU H 4.040 . 4.040 3.493 3.163 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2191 2 66 GLU HA 2 69 GLU QG 3.870 . 3.870 3.349 2.076 3.872 0.002 5 0 "[ . 1 . 2 . 3 . 4 .]" 1
2192 2 66 GLU QB 2 67 VAL H 3.670 . 3.670 2.583 2.423 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2193 2 66 GLU QB 2 67 VAL QG 3.990 . 3.990 3.176 2.935 3.407 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2194 2 67 VAL H 2 67 VAL HB 3.670 . 3.670 2.410 2.322 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2195 2 67 VAL H 2 67 VAL MG1 4.060 . 4.060 3.775 3.737 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2196 2 67 VAL H 2 67 VAL QG 2.940 . 2.940 2.271 2.124 2.398 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2197 2 67 VAL H 2 67 VAL MG2 4.060 . 4.060 2.290 2.135 2.428 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2198 2 67 VAL H 2 68 LEU H 3.470 . 3.470 2.739 2.603 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2199 2 67 VAL H 2 68 LEU QD 5.440 . 5.440 4.467 4.000 5.033 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2200 2 67 VAL H 2 69 GLU H 4.820 . 4.820 4.217 4.054 4.393 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2201 2 67 VAL HA 2 67 VAL MG1 3.390 . 3.390 2.513 2.440 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2202 2 67 VAL HA 2 67 VAL QG 2.890 . 2.890 2.136 2.085 2.177 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2203 2 67 VAL HA 2 67 VAL MG2 3.390 . 3.390 2.314 2.261 2.395 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2204 2 67 VAL HA 2 70 LYS H 4.570 . 4.570 3.415 3.247 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2205 2 67 VAL HB 2 68 LEU H 3.750 . 3.750 2.721 2.569 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2206 2 67 VAL HB 2 68 LEU QD 4.950 . 4.950 3.580 2.697 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2207 2 67 VAL HB 2 69 GLU H 5.500 . 5.500 5.178 5.068 5.318 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2208 2 67 VAL QG 2 68 LEU H 3.760 . 3.760 3.159 2.982 3.280 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2209 2 67 VAL QG 2 68 LEU HA 4.480 . 4.480 3.282 3.095 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2210 2 67 VAL QG 2 68 LEU QD 5.370 . 5.370 3.057 2.315 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2211 2 67 VAL QG 2 70 LYS H 5.160 . 5.160 4.369 4.229 4.527 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2212 2 67 VAL QG 2 71 VAL H 4.480 . 4.480 3.861 3.661 4.118 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2213 2 67 VAL MG1 2 68 LEU H 4.410 . 4.410 3.308 3.069 3.485 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2214 2 67 VAL MG2 2 68 LEU H 4.410 . 4.410 4.017 3.931 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2215 2 68 LEU H 2 68 LEU HB2 3.850 . 3.850 2.271 2.113 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2216 2 68 LEU H 2 68 LEU HB3 4.130 . 4.130 3.544 3.425 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2217 2 68 LEU H 2 68 LEU MD1 3.960 . 3.960 3.275 2.524 3.813 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2218 2 68 LEU H 2 68 LEU QD 3.300 . 3.300 2.765 2.317 3.314 0.014 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
2219 2 68 LEU H 2 68 LEU MD2 3.960 . 3.960 3.295 2.350 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2220 2 68 LEU H 2 68 LEU HG 4.260 . 4.260 3.615 2.474 4.329 0.069 31 0 "[ . 1 . 2 . 3 . 4 .]" 1
2221 2 68 LEU H 2 69 GLU H 3.360 . 3.360 2.746 2.590 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2222 2 68 LEU H 2 69 GLU QB 5.340 . 5.340 4.755 4.487 5.152 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2223 2 68 LEU H 2 70 LYS H 4.410 . 4.410 4.210 4.060 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2224 2 68 LEU H 2 71 VAL QG 4.410 . 4.410 4.400 4.147 4.839 0.429 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
2225 2 68 LEU HA 2 68 LEU MD1 3.990 . 3.990 2.763 1.928 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2226 2 68 LEU HA 2 68 LEU QD 2.930 . 2.930 2.090 1.922 2.353 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2227 2 68 LEU HA 2 68 LEU MD2 3.990 . 3.990 2.941 2.078 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2228 2 68 LEU HA 2 71 VAL H 4.870 . 4.870 3.579 3.372 3.787 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2229 2 68 LEU HA 2 71 VAL HB 5.070 . 5.070 3.766 2.689 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2230 2 68 LEU HA 2 71 VAL QG 3.540 . 3.540 2.434 2.005 3.423 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2231 2 68 LEU HA 2 72 LYS H 4.860 . 4.860 4.203 3.942 4.597 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2232 2 68 LEU HB2 2 68 LEU MD1 3.560 . 3.560 2.714 2.219 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2233 2 68 LEU HB2 2 68 LEU QD 3.010 . 3.010 2.203 2.071 2.331 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2234 2 68 LEU HB2 2 68 LEU MD2 3.560 . 3.560 2.633 2.122 3.250 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2235 2 68 LEU HB2 2 69 GLU H 3.480 . 3.480 2.860 2.640 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2236 2 68 LEU HB2 2 71 VAL QG 5.370 . 5.370 4.842 4.486 5.653 0.283 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
2237 2 68 LEU HB3 2 68 LEU MD1 3.420 . 3.420 2.739 2.427 3.272 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2238 2 68 LEU HB3 2 68 LEU MD2 3.420 . 3.420 2.663 2.256 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2239 2 68 LEU HB3 2 69 GLU H 4.560 . 4.560 3.443 3.152 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2240 2 68 LEU HB3 2 71 VAL QG 4.870 . 4.870 4.267 3.781 5.199 0.329 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
2241 2 68 LEU HB3 2 72 LYS QD 4.750 . 4.750 4.056 3.417 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2242 2 68 LEU QD 2 69 GLU H 4.240 . 4.240 4.117 3.921 4.270 0.030 33 0 "[ . 1 . 2 . 3 . 4 .]" 1
2243 2 68 LEU QD 2 69 GLU HA 5.440 . 5.440 5.172 4.964 5.348 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2244 2 68 LEU QD 2 71 VAL HB 5.280 . 5.280 4.408 3.484 5.162 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2245 2 68 LEU QD 2 72 LYS QE 4.430 . 4.430 3.530 2.704 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2246 2 68 LEU QD 2 72 LYS QG 4.510 . 4.510 4.206 3.697 4.783 0.273 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
2247 2 68 LEU MD1 2 69 GLU H 4.980 . 4.980 4.624 4.391 4.807 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2248 2 68 LEU MD2 2 69 GLU H 4.980 . 4.980 4.657 4.190 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2249 2 69 GLU H 2 69 GLU HB2 3.670 . 3.670 2.514 2.226 3.677 0.007 23 0 "[ . 1 . 2 . 3 . 4 .]" 1
2250 2 69 GLU H 2 69 GLU QB 3.100 . 3.100 2.385 2.204 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2251 2 69 GLU H 2 69 GLU HB3 3.670 . 3.670 3.519 2.526 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2252 2 69 GLU H 2 69 GLU HG2 3.760 . 3.760 2.781 2.107 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2253 2 69 GLU H 2 69 GLU HG3 3.760 . 3.760 3.261 2.300 3.787 0.027 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
2254 2 69 GLU H 2 70 LYS H 3.720 . 3.720 2.670 2.524 2.774 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2255 2 69 GLU H 2 71 VAL H 5.280 . 5.280 4.308 4.143 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2256 2 69 GLU HA 2 69 GLU HG2 3.880 . 3.880 2.793 2.264 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2257 2 69 GLU HA 2 69 GLU HG3 3.880 . 3.880 3.526 2.934 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2258 2 69 GLU HA 2 71 VAL QG 5.500 . 5.500 4.711 4.180 5.518 0.018 22 0 "[ . 1 . 2 . 3 . 4 .]" 1
2259 2 69 GLU HB2 2 70 LYS H 4.140 . 4.140 2.796 2.442 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2260 2 69 GLU HB3 2 70 LYS H 4.140 . 4.140 3.614 3.146 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2261 2 69 GLU QG 2 70 LYS H 5.210 . 5.210 4.021 2.314 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2262 2 70 LYS H 2 70 LYS QB 3.540 . 3.540 2.259 2.049 2.655 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2263 2 70 LYS H 2 70 LYS QD 4.530 . 4.530 3.593 2.539 4.548 0.018 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
2264 2 70 LYS H 2 70 LYS QE 5.500 . 5.500 4.458 2.517 5.763 0.263 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
2265 2 70 LYS H 2 70 LYS HG2 4.720 . 4.720 3.705 2.142 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2266 2 70 LYS H 2 70 LYS QG 4.060 . 4.060 3.151 2.128 4.088 0.028 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
2267 2 70 LYS H 2 70 LYS HG3 4.720 . 4.720 3.735 2.365 4.554 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2268 2 70 LYS H 2 71 VAL H 3.830 . 3.830 2.775 2.644 2.967 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2269 2 70 LYS H 2 71 VAL QG 4.310 . 4.310 4.147 3.985 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2270 2 70 LYS H 2 72 LYS H 4.420 . 4.420 4.105 3.991 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2271 2 70 LYS H 2 72 LYS QB 4.930 . 4.930 4.942 4.723 5.087 0.157 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
2272 2 70 LYS HA 2 70 LYS QD 3.880 . 3.880 2.899 2.049 4.020 0.140 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
2273 2 70 LYS HA 2 70 LYS HG2 3.890 . 3.890 3.171 2.335 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2274 2 70 LYS HA 2 70 LYS QG 3.410 . 3.410 2.517 2.151 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2275 2 70 LYS HA 2 70 LYS HG3 3.890 . 3.890 2.916 2.172 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2276 2 70 LYS HA 2 72 LYS H 5.120 . 5.120 4.305 3.980 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2277 2 70 LYS HA 2 73 LEU H 4.860 . 4.860 3.431 3.186 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2278 2 70 LYS HA 2 73 LEU QD 4.530 . 4.530 3.564 2.664 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2279 2 70 LYS QB 2 71 VAL H 3.860 . 3.860 2.581 2.440 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2280 2 70 LYS QG 2 71 VAL H 4.690 . 4.690 4.197 3.581 4.631 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2281 2 70 LYS HG2 2 71 VAL H 5.340 . 5.340 4.744 3.843 5.303 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2282 2 70 LYS HG3 2 71 VAL H 5.340 . 5.340 4.761 3.732 5.131 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2283 2 71 VAL H 2 71 VAL HB 3.250 . 3.250 2.499 2.415 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2284 2 71 VAL H 2 71 VAL QG 3.220 . 3.220 2.231 2.021 2.363 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2285 2 71 VAL H 2 72 LYS H 3.460 . 3.460 2.646 2.550 2.715 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2286 2 71 VAL H 2 74 LEU HG 5.500 . 5.500 4.956 4.498 5.485 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2287 2 71 VAL HA 2 73 LEU H 5.160 . 5.160 4.170 3.900 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2288 2 71 VAL HA 2 74 LEU H 4.270 . 4.270 3.212 2.985 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2289 2 71 VAL HA 2 74 LEU QB 4.070 . 4.070 3.186 2.487 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2290 2 71 VAL HA 2 74 LEU QD 3.780 . 3.780 2.168 2.011 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2291 2 71 VAL HA 2 74 LEU HG 4.270 . 4.270 2.538 2.122 3.323 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2292 2 71 VAL HA 2 75 HIS H 5.250 . 5.250 4.714 4.083 5.288 0.038 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
2293 2 71 VAL HB 2 72 LYS H 4.040 . 4.040 3.724 2.775 4.155 0.115 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
2294 2 71 VAL QG 2 72 LYS H 3.650 . 3.650 2.676 2.324 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2295 2 71 VAL QG 2 73 LEU H 4.790 . 4.790 4.357 4.123 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2296 2 71 VAL QG 2 75 HIS HB2 5.500 . 5.500 4.929 4.176 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2297 2 72 LYS H 2 72 LYS QB 3.400 . 3.400 2.303 2.187 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2298 2 72 LYS H 2 72 LYS QE 5.100 . 5.100 4.357 3.512 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2299 2 72 LYS H 2 72 LYS HG2 4.340 . 4.340 3.866 3.725 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2300 2 72 LYS H 2 72 LYS QG 3.680 . 3.680 2.579 2.380 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2301 2 72 LYS H 2 72 LYS HG3 4.340 . 4.340 2.620 2.408 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2302 2 72 LYS H 2 73 LEU H 3.790 . 3.790 2.636 2.464 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2303 2 72 LYS H 2 73 LEU QB 4.700 . 4.700 4.417 4.126 4.711 0.011 1 0 "[ . 1 . 2 . 3 . 4 .]" 1
2304 2 72 LYS H 2 74 LEU H 4.880 . 4.880 4.165 3.878 4.402 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2305 2 72 LYS HA 2 72 LYS QD 4.810 . 4.810 4.022 3.953 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2306 2 72 LYS HA 2 72 LYS HG2 4.000 . 4.000 2.573 2.353 2.698 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2307 2 72 LYS HA 2 72 LYS QG 3.510 . 3.510 2.389 2.259 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2308 2 72 LYS HA 2 72 LYS HG3 4.000 . 4.000 2.847 2.711 3.061 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2309 2 72 LYS QB 2 72 LYS QE 4.500 . 4.500 3.368 2.039 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2310 2 72 LYS QB 2 73 LEU H 3.880 . 3.880 2.655 2.480 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2311 2 72 LYS QE 2 72 LYS QG 3.250 . 3.250 2.170 2.089 2.338 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2312 2 72 LYS QG 2 73 LEU H 4.970 . 4.970 4.304 4.174 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2313 2 73 LEU H 2 73 LEU HB2 3.620 . 3.620 2.150 1.955 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2314 2 73 LEU H 2 73 LEU QB 3.170 . 3.170 2.117 1.939 2.386 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2315 2 73 LEU H 2 73 LEU HB3 3.620 . 3.620 3.348 2.422 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2316 2 73 LEU H 2 73 LEU QD 4.490 . 4.490 3.157 2.414 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2317 2 73 LEU H 2 73 LEU HG 4.450 . 4.450 3.769 2.391 4.467 0.017 10 0 "[ . 1 . 2 . 3 . 4 .]" 1
2318 2 73 LEU H 2 74 LEU H 3.480 . 3.480 2.650 2.481 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2319 2 73 LEU H 2 75 HIS H 4.390 . 4.390 4.023 3.762 4.238 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2320 2 73 LEU HA 2 73 LEU QD 2.640 . 2.640 2.133 1.967 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2321 2 73 LEU HA 2 73 LEU HG 3.730 . 3.730 2.988 2.279 3.764 0.034 37 0 "[ . 1 . 2 . 3 . 4 .]" 1
2322 2 73 LEU HA 2 75 HIS H 4.530 . 4.530 3.571 3.248 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2323 2 73 LEU HA 2 75 HIS HB2 4.290 . 4.290 4.373 4.316 4.496 0.206 41 0 "[ . 1 . 2 . 3 . 4 .]" 1
2324 2 73 LEU HA 2 76 GLY H 5.200 . 5.200 3.416 2.848 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2325 2 73 LEU QB 2 74 LEU H 3.430 . 3.430 2.945 2.601 3.180 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2326 2 73 LEU HB2 2 74 LEU H 4.230 . 4.230 3.303 2.869 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2327 2 73 LEU HB3 2 74 LEU H 4.230 . 4.230 3.399 2.639 4.004 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2328 2 73 LEU QD 2 75 HIS HB2 5.440 . 5.440 5.355 5.005 5.618 0.178 43 0 "[ . 1 . 2 . 3 . 4 .]" 1
2329 2 74 LEU H 2 74 LEU HB2 3.620 . 3.620 2.963 2.329 3.638 0.018 26 0 "[ . 1 . 2 . 3 . 4 .]" 1
2330 2 74 LEU H 2 74 LEU QB 3.110 . 3.110 2.415 2.301 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2331 2 74 LEU H 2 74 LEU HB3 3.620 . 3.620 3.107 2.339 3.656 0.036 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
2332 2 74 LEU H 2 74 LEU MD1 4.690 . 4.690 3.804 3.489 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2333 2 74 LEU H 2 74 LEU QD 3.920 . 3.920 3.163 2.992 3.318 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2334 2 74 LEU H 2 74 LEU MD2 4.690 . 4.690 3.407 3.175 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2335 2 74 LEU H 2 74 LEU HG 3.620 . 3.620 2.534 2.222 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2336 2 74 LEU H 2 75 HIS H 3.650 . 3.650 2.549 2.404 2.768 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2337 2 74 LEU H 2 75 HIS HB2 5.130 . 5.130 4.570 4.259 4.830 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2338 2 74 LEU QB 2 74 LEU QD 2.710 . 2.710 1.901 1.868 1.945 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2339 2 74 LEU QB 2 75 HIS H 3.820 . 3.820 3.263 2.590 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2340 2 74 LEU QB 2 75 HIS HD2 4.510 . 4.510 3.481 2.707 4.459 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2341 2 74 LEU HB2 2 75 HIS H 4.380 . 4.380 3.565 2.641 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2342 2 74 LEU HB2 2 75 HIS HD2 5.140 . 5.140 3.732 2.770 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2343 2 74 LEU HB3 2 75 HIS H 4.380 . 4.380 3.990 3.586 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2344 2 74 LEU HB3 2 75 HIS HD2 5.140 . 5.140 4.195 3.176 5.167 0.027 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
2345 2 74 LEU QD 2 75 HIS H 4.950 . 4.950 3.868 3.210 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2346 2 74 LEU QD 2 75 HIS HB2 5.440 . 5.440 5.243 4.396 5.932 0.492 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
2347 2 74 LEU QD 2 75 HIS HD2 4.050 . 4.050 3.232 1.991 4.205 0.155 30 0 "[ . 1 . 2 . 3 . 4 .]" 1
2348 2 74 LEU MD1 2 75 HIS HD2 5.500 . 5.500 3.334 1.995 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2349 2 74 LEU MD2 2 75 HIS HD2 5.500 . 5.500 4.749 3.880 5.505 0.005 1 0 "[ . 1 . 2 . 3 . 4 .]" 1
2350 2 74 LEU HG 2 75 HIS H 5.010 . 5.010 3.846 2.677 4.806 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2351 2 74 LEU HG 2 75 HIS HD2 5.500 . 5.500 4.356 2.688 5.600 0.100 44 0 "[ . 1 . 2 . 3 . 4 .]" 1
2352 2 75 HIS H 2 75 HIS HB2 3.710 . 3.710 2.285 2.130 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2353 2 75 HIS H 2 75 HIS HB3 4.030 . 4.030 3.556 3.476 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2354 2 75 HIS HA 2 75 HIS HD2 3.710 . 3.710 2.449 2.325 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2355 2 75 HIS HB2 2 76 GLY H 4.480 . 4.480 3.331 2.307 4.011 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2356 2 75 HIS HB3 2 76 GLY H 5.130 . 5.130 4.094 3.395 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2357 2 76 GLY QA 2 77 GLY H 3.550 . 3.550 2.504 2.127 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2358 2 77 GLY H 2 78 VAL H 3.530 . 3.530 2.761 1.935 3.588 0.058 42 0 "[ . 1 . 2 . 3 . 4 .]" 1
2359 2 77 GLY H 2 78 VAL HA 5.500 . 5.500 4.945 4.054 5.521 0.021 2 0 "[ . 1 . 2 . 3 . 4 .]" 1
2360 2 77 GLY H 2 78 VAL MG1 5.500 . 5.500 4.842 3.543 5.866 0.366 39 0 "[ . 1 . 2 . 3 . 4 .]" 1
2361 2 77 GLY H 2 78 VAL MG2 5.500 . 5.500 4.344 2.640 5.617 0.117 4 0 "[ . 1 . 2 . 3 . 4 .]" 1
2362 2 77 GLY H 2 79 ALA H 4.850 . 4.850 4.101 2.369 4.980 0.130 45 0 "[ . 1 . 2 . 3 . 4 .]" 1
2363 2 77 GLY QA 2 78 VAL H 3.000 . 3.000 2.759 2.197 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2364 2 78 VAL H 2 78 VAL QG 3.750 . 3.750 2.157 1.855 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2365 2 78 VAL H 2 79 ALA H 3.760 . 3.760 2.640 1.979 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2366 2 78 VAL HA 2 78 VAL QG 2.710 . 2.710 2.224 2.064 2.337 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2367 2 78 VAL HA 2 79 ALA H 3.170 . 3.170 3.049 2.365 3.362 0.192 38 0 "[ . 1 . 2 . 3 . 4 .]" 1
2368 2 78 VAL HB 2 79 ALA H 4.610 . 4.610 4.291 3.649 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2369 2 78 VAL QG 2 79 ALA H 4.260 . 4.260 3.266 2.609 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2370 2 78 VAL MG1 2 79 ALA H 5.040 . 5.040 3.961 2.633 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2371 2 78 VAL MG2 2 79 ALA H 5.040 . 5.040 3.767 2.907 4.416 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2372 2 79 ALA H 2 79 ALA MB 3.020 . 3.020 2.480 2.225 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2373 2 79 ALA H 2 80 VAL H 4.030 . 4.030 3.644 2.749 4.093 0.063 32 0 "[ . 1 . 2 . 3 . 4 .]" 1
2374 2 79 ALA HA 2 80 VAL H 2.770 . 2.770 2.362 2.056 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2375 2 79 ALA MB 2 80 VAL H 3.780 . 3.780 3.635 3.171 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2376 2 80 VAL H 2 80 VAL HB 3.940 . 3.940 3.244 2.491 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
2377 2 80 VAL H 2 80 VAL QG 3.920 . 3.920 2.259 1.872 3.289 . 0 0 "[ . 1 . 2 . 3 . 4 .]" 1
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