NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610988 |
2nb1   |
25958 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nb1
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 2366
_Distance_constraint_stats_list.Viol_count 1552
_Distance_constraint_stats_list.Viol_total 2270.791
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0732
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.303 0.115 15 0 "[ . 1 . 2]"
1 4 GLU 1.121 0.092 18 0 "[ . 1 . 2]"
1 5 LEU 1.567 0.123 5 0 "[ . 1 . 2]"
1 6 LEU 2.004 0.121 11 0 "[ . 1 . 2]"
1 7 TYR 2.234 0.120 19 0 "[ . 1 . 2]"
1 8 LEU 1.650 0.107 3 0 "[ . 1 . 2]"
1 9 PRO 0.080 0.080 16 0 "[ . 1 . 2]"
1 10 VAL 1.282 0.107 17 0 "[ . 1 . 2]"
1 11 ARG 0.702 0.120 15 0 "[ . 1 . 2]"
1 12 GLY 0.592 0.088 6 0 "[ . 1 . 2]"
1 13 ARG 1.815 0.113 17 0 "[ . 1 . 2]"
1 14 GLU 0.337 0.080 16 0 "[ . 1 . 2]"
1 15 THR 0.535 0.140 5 0 "[ . 1 . 2]"
1 16 TYR 2.042 0.107 17 0 "[ . 1 . 2]"
1 17 GLU 0.815 0.109 6 0 "[ . 1 . 2]"
1 18 MET 3.251 0.107 13 0 "[ . 1 . 2]"
1 19 LEU 0.843 0.167 9 0 "[ . 1 . 2]"
1 20 LEU 2.619 0.141 7 0 "[ . 1 . 2]"
1 21 GLU 0.377 0.119 7 0 "[ . 1 . 2]"
1 22 ILE 1.435 0.113 16 0 "[ . 1 . 2]"
1 23 LYS 1.014 0.129 17 0 "[ . 1 . 2]"
1 24 GLU 0.572 0.098 4 0 "[ . 1 . 2]"
1 25 SER 1.251 0.094 12 0 "[ . 1 . 2]"
1 26 LEU 2.018 0.129 9 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 3.278 0.129 7 0 "[ . 1 . 2]"
1 29 MET 4.349 0.129 9 0 "[ . 1 . 2]"
1 30 GLN 0.342 0.097 6 0 "[ . 1 . 2]"
1 31 TYR 3.951 0.124 8 0 "[ . 1 . 2]"
1 32 LEU 1.581 0.104 4 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 1.796 0.118 3 0 "[ . 1 . 2]"
1 37 ILE 1.811 0.116 4 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 1.569 0.112 1 0 "[ . 1 . 2]"
1 41 ARG 0.152 0.077 6 0 "[ . 1 . 2]"
1 42 GLN 0.061 0.061 18 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 0.061 0.061 18 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 HIS 0.671 0.110 4 0 "[ . 1 . 2]"
1 49 GLN 0.578 0.083 6 0 "[ . 1 . 2]"
1 50 HIS 0.382 0.083 6 0 "[ . 1 . 2]"
1 51 LEU 0.502 0.110 4 0 "[ . 1 . 2]"
1 52 LEU 0.027 0.027 8 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 SER 0.260 0.097 5 0 "[ . 1 . 2]"
2 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ASP 0.260 0.097 5 0 "[ . 1 . 2]"
2 6 THR 1.094 0.095 2 0 "[ . 1 . 2]"
2 7 TYR 0.521 0.101 18 0 "[ . 1 . 2]"
2 8 TYR 0.215 0.084 18 0 "[ . 1 . 2]"
2 9 LEU 0.122 0.071 19 0 "[ . 1 . 2]"
2 10 GLN 2.704 0.106 10 0 "[ . 1 . 2]"
2 11 VAL 2.791 0.138 3 0 "[ . 1 . 2]"
2 12 ARG 1.273 0.112 16 0 "[ . 1 . 2]"
2 13 GLY 0.240 0.071 7 0 "[ . 1 . 2]"
2 14 ARG 0.897 0.102 11 0 "[ . 1 . 2]"
2 15 LYS 0.578 0.102 11 0 "[ . 1 . 2]"
2 16 ASN 0.098 0.068 20 0 "[ . 1 . 2]"
2 17 PHE 2.994 0.138 3 0 "[ . 1 . 2]"
2 18 GLU 0.328 0.098 7 0 "[ . 1 . 2]"
2 19 ILE 0.374 0.095 6 0 "[ . 1 . 2]"
2 20 LEU 3.418 0.119 20 0 "[ . 1 . 2]"
2 21 MET 1.191 0.097 2 0 "[ . 1 . 2]"
2 22 LYS 1.592 0.117 10 0 "[ . 1 . 2]"
2 23 LEU 1.421 0.118 8 0 "[ . 1 . 2]"
2 24 LYS 2.263 0.108 19 0 "[ . 1 . 2]"
2 25 GLU 0.531 0.108 7 0 "[ . 1 . 2]"
2 26 SER 1.028 0.119 20 0 "[ . 1 . 2]"
2 27 LEU 1.112 0.119 7 0 "[ . 1 . 2]"
2 28 GLU 1.389 0.120 12 0 "[ . 1 . 2]"
2 29 LEU 1.146 0.144 11 0 "[ . 1 . 2]"
2 30 MET 5.521 0.126 15 0 "[ . 1 . 2]"
2 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 LEU 5.065 0.144 11 0 "[ . 1 . 2]"
2 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 PRO 3.082 0.120 10 0 "[ . 1 . 2]"
2 35 GLN 1.059 0.097 16 0 "[ . 1 . 2]"
2 36 PRO 0.282 0.107 7 0 "[ . 1 . 2]"
2 37 LEU 2.129 0.124 8 0 "[ . 1 . 2]"
2 38 VAL 2.189 0.120 10 0 "[ . 1 . 2]"
2 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 SER 0.047 0.046 11 0 "[ . 1 . 2]"
2 41 TYR 3.631 0.141 7 0 "[ . 1 . 2]"
2 42 ARG 1.235 0.115 2 0 "[ . 1 . 2]"
2 43 GLN 0.769 0.112 1 0 "[ . 1 . 2]"
2 44 GLN 0.089 0.089 7 0 "[ . 1 . 2]"
2 45 GLN 0.474 0.093 6 0 "[ . 1 . 2]"
2 46 GLN 0.211 0.093 6 0 "[ . 1 . 2]"
2 47 LEU 0.102 0.080 17 0 "[ . 1 . 2]"
2 48 LEU 3.952 0.125 20 0 "[ . 1 . 2]"
2 49 GLN 0.194 0.103 16 0 "[ . 1 . 2]"
2 50 ARG 0.297 0.114 6 0 "[ . 1 . 2]"
3 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 3 ASP 0.342 0.120 15 0 "[ . 1 . 2]"
3 4 GLU 0.952 0.100 18 0 "[ . 1 . 2]"
3 5 LEU 1.850 0.118 13 0 "[ . 1 . 2]"
3 6 LEU 1.580 0.113 17 0 "[ . 1 . 2]"
3 7 TYR 2.025 0.142 19 0 "[ . 1 . 2]"
3 8 LEU 1.657 0.113 4 0 "[ . 1 . 2]"
3 9 PRO 0.194 0.103 16 0 "[ . 1 . 2]"
3 10 VAL 1.731 0.129 12 0 "[ . 1 . 2]"
3 11 ARG 0.622 0.125 20 0 "[ . 1 . 2]"
3 12 GLY 0.832 0.088 6 0 "[ . 1 . 2]"
3 13 ARG 2.176 0.121 11 0 "[ . 1 . 2]"
3 14 GLU 0.206 0.071 10 0 "[ . 1 . 2]"
3 15 THR 0.692 0.143 9 0 "[ . 1 . 2]"
3 16 TYR 2.195 0.112 4 0 "[ . 1 . 2]"
3 17 GLU 0.479 0.098 10 0 "[ . 1 . 2]"
3 18 MET 2.978 0.117 10 0 "[ . 1 . 2]"
3 19 LEU 0.753 0.143 9 0 "[ . 1 . 2]"
3 20 LEU 1.986 0.125 19 0 "[ . 1 . 2]"
3 21 GLU 0.331 0.125 12 0 "[ . 1 . 2]"
3 22 ILE 1.470 0.119 20 0 "[ . 1 . 2]"
3 23 LYS 0.635 0.107 3 0 "[ . 1 . 2]"
3 24 GLU 0.717 0.091 15 0 "[ . 1 . 2]"
3 25 SER 1.303 0.101 15 0 "[ . 1 . 2]"
3 26 LEU 1.708 0.125 20 0 "[ . 1 . 2]"
3 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
3 28 LEU 3.509 0.130 11 0 "[ . 1 . 2]"
3 29 MET 4.698 0.125 20 0 "[ . 1 . 2]"
3 30 GLN 0.187 0.084 14 0 "[ . 1 . 2]"
3 31 TYR 3.623 0.142 4 0 "[ . 1 . 2]"
3 32 LEU 1.609 0.102 4 0 "[ . 1 . 2]"
3 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
3 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
3 36 THR 2.189 0.121 20 0 "[ . 1 . 2]"
3 37 ILE 1.481 0.117 9 0 "[ . 1 . 2]"
3 38 GLU 0.060 0.060 17 0 "[ . 1 . 2]"
3 39 THR 0.060 0.060 17 0 "[ . 1 . 2]"
3 40 TYR 2.186 0.113 9 0 "[ . 1 . 2]"
3 41 ARG 0.114 0.077 6 0 "[ . 1 . 2]"
3 42 GLN 0.054 0.054 8 0 "[ . 1 . 2]"
3 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 45 GLN 0.102 0.054 8 0 "[ . 1 . 2]"
3 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 47 GLN 0.047 0.047 5 0 "[ . 1 . 2]"
3 48 HIS 0.371 0.098 4 0 "[ . 1 . 2]"
3 49 GLN 0.684 0.080 10 0 "[ . 1 . 2]"
3 50 HIS 0.579 0.080 10 0 "[ . 1 . 2]"
3 51 LEU 0.272 0.098 4 0 "[ . 1 . 2]"
3 52 LEU 0.007 0.007 14 0 "[ . 1 . 2]"
3 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 2 SER 0.431 0.093 2 0 "[ . 1 . 2]"
4 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 5 ASP 0.467 0.093 2 0 "[ . 1 . 2]"
4 6 THR 1.090 0.109 19 0 "[ . 1 . 2]"
4 7 TYR 0.735 0.089 3 0 "[ . 1 . 2]"
4 8 TYR 0.208 0.109 19 0 "[ . 1 . 2]"
4 9 LEU 0.209 0.097 2 0 "[ . 1 . 2]"
4 10 GLN 2.783 0.098 6 0 "[ . 1 . 2]"
4 11 VAL 2.766 0.119 10 0 "[ . 1 . 2]"
4 12 ARG 1.577 0.120 12 0 "[ . 1 . 2]"
4 13 GLY 0.370 0.101 18 0 "[ . 1 . 2]"
4 14 ARG 0.899 0.097 17 0 "[ . 1 . 2]"
4 15 LYS 0.779 0.101 7 0 "[ . 1 . 2]"
4 16 ASN 0.060 0.060 9 0 "[ . 1 . 2]"
4 17 PHE 2.955 0.119 10 0 "[ . 1 . 2]"
4 18 GLU 0.595 0.101 7 0 "[ . 1 . 2]"
4 19 ILE 0.292 0.093 8 0 "[ . 1 . 2]"
4 20 LEU 3.960 0.113 16 0 "[ . 1 . 2]"
4 21 MET 1.232 0.097 6 0 "[ . 1 . 2]"
4 22 LYS 2.124 0.107 13 0 "[ . 1 . 2]"
4 23 LEU 1.810 0.167 9 0 "[ . 1 . 2]"
4 24 LYS 2.277 0.112 19 0 "[ . 1 . 2]"
4 25 GLU 0.946 0.101 9 0 "[ . 1 . 2]"
4 26 SER 0.463 0.100 20 0 "[ . 1 . 2]"
4 27 LEU 1.444 0.125 12 0 "[ . 1 . 2]"
4 28 GLU 1.033 0.112 16 0 "[ . 1 . 2]"
4 29 LEU 1.264 0.122 1 0 "[ . 1 . 2]"
4 30 MET 5.193 0.130 11 0 "[ . 1 . 2]"
4 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 32 LEU 4.547 0.121 20 0 "[ . 1 . 2]"
4 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
4 34 PRO 3.172 0.116 10 0 "[ . 1 . 2]"
4 35 GLN 1.332 0.091 17 0 "[ . 1 . 2]"
4 36 PRO 0.379 0.132 13 0 "[ . 1 . 2]"
4 37 LEU 2.401 0.124 1 0 "[ . 1 . 2]"
4 38 VAL 2.171 0.142 4 0 "[ . 1 . 2]"
4 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 40 SER 0.154 0.055 15 0 "[ . 1 . 2]"
4 41 TYR 3.061 0.125 19 0 "[ . 1 . 2]"
4 42 ARG 1.171 0.120 9 0 "[ . 1 . 2]"
4 43 GLN 0.861 0.120 6 0 "[ . 1 . 2]"
4 44 GLN 0.236 0.089 4 0 "[ . 1 . 2]"
4 45 GLN 0.833 0.120 9 0 "[ . 1 . 2]"
4 46 GLN 0.389 0.111 17 0 "[ . 1 . 2]"
4 47 LEU 0.314 0.120 6 0 "[ . 1 . 2]"
4 48 LEU 4.243 0.142 19 0 "[ . 1 . 2]"
4 49 GLN 0.080 0.080 16 0 "[ . 1 . 2]"
4 50 ARG 0.208 0.122 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 11 VAL HB 2 12 ARG H . . 4.480 3.399 2.644 4.053 . 0 0 "[ . 1 . 2]" 1
2 4 11 VAL HB 4 12 ARG H . . 4.480 3.401 2.713 4.126 . 0 0 "[ . 1 . 2]" 1
3 2 48 LEU QD 2 50 ARG H . . 6.440 5.853 4.646 6.554 0.114 6 0 "[ . 1 . 2]" 1
4 4 48 LEU QD 4 50 ARG H . . 6.440 5.798 4.534 6.562 0.122 10 0 "[ . 1 . 2]" 1
5 2 49 GLN HA 2 50 ARG H . . 3.370 2.410 2.083 2.654 . 0 0 "[ . 1 . 2]" 1
6 4 49 GLN HA 4 50 ARG H . . 3.370 2.368 2.040 2.654 . 0 0 "[ . 1 . 2]" 1
7 2 7 TYR QE 4 14 ARG H . . 5.350 4.361 3.508 5.045 . 0 0 "[ . 1 . 2]" 1
8 2 14 ARG H 4 7 TYR QE . . 5.350 4.486 3.515 5.439 0.089 10 0 "[ . 1 . 2]" 1
9 2 14 ARG H 2 14 ARG QD . . 6.040 4.227 3.809 4.601 . 0 0 "[ . 1 . 2]" 1
10 4 14 ARG H 4 14 ARG QD . . 6.040 4.175 3.742 4.667 . 0 0 "[ . 1 . 2]" 1
11 2 35 GLN H 2 36 PRO QD . . 5.840 2.907 2.343 3.472 . 0 0 "[ . 1 . 2]" 1
12 4 35 GLN H 4 36 PRO QD . . 5.840 2.851 2.163 3.700 . 0 0 "[ . 1 . 2]" 1
13 2 35 GLN H 2 36 PRO HD3 . . 5.980 3.019 2.389 3.614 . 0 0 "[ . 1 . 2]" 1
14 4 35 GLN H 4 36 PRO HD3 . . 5.980 2.957 2.204 3.867 . 0 0 "[ . 1 . 2]" 1
15 2 34 PRO HG3 2 35 GLN H . . 4.960 4.698 3.408 5.034 0.074 8 0 "[ . 1 . 2]" 1
16 4 34 PRO HG3 4 35 GLN H . . 4.960 4.712 3.437 5.037 0.077 5 0 "[ . 1 . 2]" 1
17 2 33 VAL QG 2 35 GLN H . . 6.560 4.856 3.434 5.288 . 0 0 "[ . 1 . 2]" 1
18 4 33 VAL QG 4 35 GLN H . . 6.560 4.814 3.403 5.235 . 0 0 "[ . 1 . 2]" 1
19 2 7 TYR H 2 7 TYR QD . . 4.700 3.348 2.863 3.798 . 0 0 "[ . 1 . 2]" 1
20 4 7 TYR H 4 7 TYR QD . . 4.700 3.396 2.349 3.829 . 0 0 "[ . 1 . 2]" 1
21 2 12 ARG HA 4 7 TYR H . . 5.410 2.854 2.508 3.338 . 0 0 "[ . 1 . 2]" 1
22 2 7 TYR H 4 12 ARG HA . . 5.410 2.867 2.444 3.395 . 0 0 "[ . 1 . 2]" 1
23 2 6 THR HB 2 7 TYR H . . 5.500 3.772 2.444 4.297 . 0 0 "[ . 1 . 2]" 1
24 4 6 THR HB 4 7 TYR H . . 5.500 3.737 2.739 4.189 . 0 0 "[ . 1 . 2]" 1
25 2 11 VAL MG2 4 7 TYR H . . 6.500 4.945 3.772 5.874 . 0 0 "[ . 1 . 2]" 1
26 2 7 TYR H 4 11 VAL MG2 . . 6.500 4.985 3.901 5.889 . 0 0 "[ . 1 . 2]" 1
27 2 41 TYR H 2 42 ARG H . . 4.650 2.718 2.575 2.826 . 0 0 "[ . 1 . 2]" 1
28 4 41 TYR H 4 42 ARG H . . 4.650 2.717 2.600 2.848 . 0 0 "[ . 1 . 2]" 1
29 2 41 TYR H 2 41 TYR QD . . 5.060 4.112 2.746 4.265 . 0 0 "[ . 1 . 2]" 1
30 4 41 TYR H 4 41 TYR QD . . 5.060 4.193 4.121 4.257 . 0 0 "[ . 1 . 2]" 1
31 2 38 VAL HA 2 41 TYR H . . 5.190 3.822 3.324 4.168 . 0 0 "[ . 1 . 2]" 1
32 4 38 VAL HA 4 41 TYR H . . 5.190 3.744 3.329 4.056 . 0 0 "[ . 1 . 2]" 1
33 2 38 VAL QG 2 41 TYR H . . 5.810 4.716 4.344 5.003 . 0 0 "[ . 1 . 2]" 1
34 4 38 VAL QG 4 41 TYR H . . 5.810 4.666 4.364 4.872 . 0 0 "[ . 1 . 2]" 1
35 2 38 VAL HB 2 41 TYR H . . 6.280 5.732 5.375 6.056 . 0 0 "[ . 1 . 2]" 1
36 4 38 VAL HB 4 41 TYR H . . 6.280 5.689 5.466 5.860 . 0 0 "[ . 1 . 2]" 1
37 2 7 TYR H 4 11 VAL H . . 4.910 3.215 2.863 3.543 . 0 0 "[ . 1 . 2]" 1
38 2 11 VAL H 4 7 TYR H . . 4.910 3.201 2.841 3.413 . 0 0 "[ . 1 . 2]" 1
39 2 10 GLN QG 2 11 VAL H . . 4.840 4.038 3.195 4.785 . 0 0 "[ . 1 . 2]" 1
40 4 10 GLN QG 4 11 VAL H . . 4.840 4.088 3.104 4.887 0.047 7 0 "[ . 1 . 2]" 1
41 2 9 LEU H 2 10 GLN H . . 5.780 4.283 3.897 4.533 . 0 0 "[ . 1 . 2]" 1
42 4 9 LEU H 4 10 GLN H . . 5.780 4.280 3.810 4.432 . 0 0 "[ . 1 . 2]" 1
43 2 10 GLN H 2 10 GLN QG . . 4.890 3.574 2.273 4.357 . 0 0 "[ . 1 . 2]" 1
44 4 10 GLN H 4 10 GLN QG . . 4.890 3.614 2.379 4.326 . 0 0 "[ . 1 . 2]" 1
45 2 9 LEU QB 2 10 GLN H . . 5.870 3.064 2.406 3.867 . 0 0 "[ . 1 . 2]" 1
46 4 9 LEU QB 4 10 GLN H . . 5.870 3.067 2.500 3.721 . 0 0 "[ . 1 . 2]" 1
47 2 21 MET QG 4 10 GLN H . . 6.920 6.910 6.454 7.014 0.094 5 0 "[ . 1 . 2]" 1
48 2 10 GLN H 4 21 MET QG . . 6.920 6.921 6.561 7.017 0.097 6 0 "[ . 1 . 2]" 1
49 2 17 PHE QE 4 10 GLN H . . 6.220 6.266 6.043 6.318 0.098 6 0 "[ . 1 . 2]" 1
50 2 10 GLN H 4 17 PHE QE . . 6.220 6.239 5.896 6.326 0.106 10 0 "[ . 1 . 2]" 1
51 2 32 LEU H 2 33 VAL H . . 4.150 2.559 2.256 2.711 . 0 0 "[ . 1 . 2]" 1
52 4 32 LEU H 4 33 VAL H . . 4.150 2.561 2.251 2.794 . 0 0 "[ . 1 . 2]" 1
53 2 31 GLU HA 2 33 VAL H . . 6.530 4.554 4.219 4.771 . 0 0 "[ . 1 . 2]" 1
54 4 31 GLU HA 4 33 VAL H . . 6.530 4.546 4.161 4.787 . 0 0 "[ . 1 . 2]" 1
55 2 30 MET HA 2 33 VAL H . . 4.910 3.686 3.156 4.082 . 0 0 "[ . 1 . 2]" 1
56 4 30 MET HA 4 33 VAL H . . 4.910 3.621 3.188 4.028 . 0 0 "[ . 1 . 2]" 1
57 2 33 VAL H 2 33 VAL HB . . 4.140 2.690 2.144 3.752 . 0 0 "[ . 1 . 2]" 1
58 4 33 VAL H 4 33 VAL HB . . 4.140 2.676 2.074 3.755 . 0 0 "[ . 1 . 2]" 1
59 2 32 LEU HG 2 33 VAL H . . 5.400 2.875 2.357 4.399 . 0 0 "[ . 1 . 2]" 1
60 4 32 LEU HG 4 33 VAL H . . 5.400 2.977 2.354 5.237 . 0 0 "[ . 1 . 2]" 1
61 2 33 VAL H 2 33 VAL QG . . 3.940 2.514 2.011 3.004 . 0 0 "[ . 1 . 2]" 1
62 4 33 VAL H 4 33 VAL QG . . 3.940 2.554 2.015 2.992 . 0 0 "[ . 1 . 2]" 1
63 2 32 LEU QD 2 33 VAL H . . 5.020 3.332 2.891 4.302 . 0 0 "[ . 1 . 2]" 1
64 4 32 LEU QD 4 33 VAL H . . 5.020 3.288 2.652 4.053 . 0 0 "[ . 1 . 2]" 1
65 2 36 PRO HA 2 38 VAL H . . 6.140 4.454 4.119 4.780 . 0 0 "[ . 1 . 2]" 1
66 4 36 PRO HA 4 38 VAL H . . 6.140 4.490 4.037 4.852 . 0 0 "[ . 1 . 2]" 1
67 2 35 GLN HA 2 38 VAL H . . 6.530 3.719 3.275 4.335 . 0 0 "[ . 1 . 2]" 1
68 4 35 GLN HA 4 38 VAL H . . 6.530 3.675 3.353 4.478 . 0 0 "[ . 1 . 2]" 1
69 2 37 LEU HB3 2 38 VAL H . . 6.010 2.964 2.488 3.867 . 0 0 "[ . 1 . 2]" 1
70 4 37 LEU HB3 4 38 VAL H . . 6.010 2.961 2.502 4.044 . 0 0 "[ . 1 . 2]" 1
71 2 10 GLN H 4 9 LEU H . . 6.440 5.238 5.084 5.393 . 0 0 "[ . 1 . 2]" 1
72 2 9 LEU H 4 10 GLN H . . 6.440 5.268 4.981 5.408 . 0 0 "[ . 1 . 2]" 1
73 2 8 TYR QD 2 9 LEU H . . 6.670 4.105 2.920 4.773 . 0 0 "[ . 1 . 2]" 1
74 4 8 TYR QD 4 9 LEU H . . 6.670 4.176 3.768 4.621 . 0 0 "[ . 1 . 2]" 1
75 2 10 GLN HA 4 9 LEU H . . 6.600 4.240 3.916 4.431 . 0 0 "[ . 1 . 2]" 1
76 2 9 LEU H 4 10 GLN HA . . 6.600 4.217 3.774 4.474 . 0 0 "[ . 1 . 2]" 1
77 2 8 TYR QB 2 9 LEU H . . 5.600 2.776 2.399 3.455 . 0 0 "[ . 1 . 2]" 1
78 4 8 TYR QB 4 9 LEU H . . 5.600 2.770 2.194 3.347 . 0 0 "[ . 1 . 2]" 1
79 2 8 TYR HB3 2 9 LEU H . . 5.490 2.849 2.445 3.637 . 0 0 "[ . 1 . 2]" 1
80 4 8 TYR HB3 4 9 LEU H . . 5.490 2.845 2.230 3.471 . 0 0 "[ . 1 . 2]" 1
81 2 23 LEU H 2 24 LYS H . . 4.320 2.797 2.632 2.938 . 0 0 "[ . 1 . 2]" 1
82 4 23 LEU H 4 24 LYS H . . 4.320 2.786 2.616 3.008 . 0 0 "[ . 1 . 2]" 1
83 2 21 MET HA 2 24 LYS H . . 6.360 3.448 3.101 3.929 . 0 0 "[ . 1 . 2]" 1
84 4 21 MET HA 4 24 LYS H . . 6.360 3.452 3.006 3.921 . 0 0 "[ . 1 . 2]" 1
85 2 21 MET QG 2 24 LYS H . . 6.920 5.200 4.408 5.759 . 0 0 "[ . 1 . 2]" 1
86 4 21 MET QG 4 24 LYS H . . 6.920 5.200 4.653 5.770 . 0 0 "[ . 1 . 2]" 1
87 2 23 LEU HB3 2 24 LYS H . . 5.780 3.739 3.389 3.989 . 0 0 "[ . 1 . 2]" 1
88 4 23 LEU HB3 4 24 LYS H . . 5.780 3.705 3.239 3.989 . 0 0 "[ . 1 . 2]" 1
89 2 5 ASP H 2 5 ASP QB . . 3.870 2.526 2.073 3.127 . 0 0 "[ . 1 . 2]" 1
90 4 5 ASP H 4 5 ASP QB . . 3.870 2.497 2.134 3.059 . 0 0 "[ . 1 . 2]" 1
91 2 4 GLU QG 2 5 ASP H . . 5.490 3.972 2.018 4.849 . 0 0 "[ . 1 . 2]" 1
92 4 4 GLU QG 4 5 ASP H . . 5.490 4.034 1.889 5.008 . 0 0 "[ . 1 . 2]" 1
93 2 4 GLU QB 2 5 ASP H . . 5.480 3.287 2.449 4.030 . 0 0 "[ . 1 . 2]" 1
94 4 4 GLU QB 4 5 ASP H . . 5.480 3.313 2.512 4.068 . 0 0 "[ . 1 . 2]" 1
95 2 4 GLU HB3 2 5 ASP H . . 5.260 3.977 3.194 4.541 . 0 0 "[ . 1 . 2]" 1
96 4 4 GLU HB3 4 5 ASP H . . 5.260 3.981 3.029 4.650 . 0 0 "[ . 1 . 2]" 1
97 2 17 PHE H 2 17 PHE QD . . 5.350 4.220 4.166 4.283 . 0 0 "[ . 1 . 2]" 1
98 4 17 PHE H 4 17 PHE QD . . 5.350 4.224 4.168 4.268 . 0 0 "[ . 1 . 2]" 1
99 2 14 ARG HA 2 17 PHE H . . 5.310 3.806 3.501 4.093 . 0 0 "[ . 1 . 2]" 1
100 4 14 ARG HA 4 17 PHE H . . 5.310 3.819 3.583 4.169 . 0 0 "[ . 1 . 2]" 1
101 2 16 ASN QB 2 17 PHE H . . 5.780 2.559 2.354 2.769 . 0 0 "[ . 1 . 2]" 1
102 4 16 ASN QB 4 17 PHE H . . 5.780 2.594 2.298 3.045 . 0 0 "[ . 1 . 2]" 1
103 2 16 ASN HB3 2 17 PHE H . . 5.420 3.551 2.467 4.036 . 0 0 "[ . 1 . 2]" 1
104 4 16 ASN HB3 4 17 PHE H . . 5.420 3.525 2.459 4.220 . 0 0 "[ . 1 . 2]" 1
105 2 17 PHE H 2 18 GLU QG . . 6.800 5.141 4.274 6.449 . 0 0 "[ . 1 . 2]" 1
106 4 17 PHE H 4 18 GLU QG . . 6.800 5.142 4.314 6.505 . 0 0 "[ . 1 . 2]" 1
107 2 15 LYS H 2 17 PHE H . . 6.050 4.364 4.177 4.605 . 0 0 "[ . 1 . 2]" 1
108 4 15 LYS H 4 17 PHE H . . 6.050 4.392 4.106 4.735 . 0 0 "[ . 1 . 2]" 1
109 2 20 LEU H 2 22 LYS H . . 6.120 4.581 4.389 4.860 . 0 0 "[ . 1 . 2]" 1
110 4 20 LEU H 4 22 LYS H . . 6.120 4.533 4.351 4.773 . 0 0 "[ . 1 . 2]" 1
111 2 22 LYS H 2 24 LYS H . . 6.060 4.250 3.957 4.708 . 0 0 "[ . 1 . 2]" 1
112 4 22 LYS H 4 24 LYS H . . 6.060 4.255 3.980 4.751 . 0 0 "[ . 1 . 2]" 1
113 2 21 MET H 2 22 LYS H . . 4.520 2.733 2.554 2.892 . 0 0 "[ . 1 . 2]" 1
114 4 21 MET H 4 22 LYS H . . 4.520 2.753 2.558 2.920 . 0 0 "[ . 1 . 2]" 1
115 2 20 LEU HA 2 22 LYS H . . 5.980 4.705 4.483 4.962 . 0 0 "[ . 1 . 2]" 1
116 4 20 LEU HA 4 22 LYS H . . 5.980 4.688 4.506 4.863 . 0 0 "[ . 1 . 2]" 1
117 2 19 ILE HA 2 22 LYS H . . 5.510 3.796 3.521 4.123 . 0 0 "[ . 1 . 2]" 1
118 4 19 ILE HA 4 22 LYS H . . 5.510 3.757 3.405 4.001 . 0 0 "[ . 1 . 2]" 1
119 2 22 LYS H 2 22 LYS HG2 . . 5.400 3.637 2.184 4.499 . 0 0 "[ . 1 . 2]" 1
120 4 22 LYS H 4 22 LYS HG2 . . 5.400 3.671 2.216 4.539 . 0 0 "[ . 1 . 2]" 1
121 1 32 LEU H 2 37 LEU MD2 . . 6.730 5.460 3.196 6.764 0.034 18 0 "[ . 1 . 2]" 1
122 3 32 LEU H 4 37 LEU MD2 . . 6.730 5.406 3.789 6.474 . 0 0 "[ . 1 . 2]" 1
123 2 3 ASP H 2 4 GLU H . . 5.400 3.399 1.666 4.655 . 0 0 "[ . 1 . 2]" 1
124 4 3 ASP H 4 4 GLU H . . 5.400 3.424 1.882 4.712 . 0 0 "[ . 1 . 2]" 1
125 2 3 ASP HB2 2 4 GLU H . . 5.400 4.097 2.732 4.612 . 0 0 "[ . 1 . 2]" 1
126 4 3 ASP HB2 4 4 GLU H . . 5.400 4.134 2.243 4.624 . 0 0 "[ . 1 . 2]" 1
127 2 3 ASP QB 2 4 GLU H . . 5.630 3.407 1.876 4.035 . 0 0 "[ . 1 . 2]" 1
128 4 3 ASP QB 4 4 GLU H . . 5.630 3.357 2.207 4.105 . 0 0 "[ . 1 . 2]" 1
129 2 4 GLU H 2 4 GLU QG . . 4.310 2.938 1.937 4.168 . 0 0 "[ . 1 . 2]" 1
130 4 4 GLU H 4 4 GLU QG . . 4.310 2.972 1.977 3.982 . 0 0 "[ . 1 . 2]" 1
131 2 49 GLN H 2 50 ARG H . . 5.230 4.272 3.351 4.603 . 0 0 "[ . 1 . 2]" 1
132 4 49 GLN H 4 50 ARG H . . 5.230 4.283 3.640 4.671 . 0 0 "[ . 1 . 2]" 1
133 2 48 LEU H 2 49 GLN H . . 3.940 2.487 2.139 2.747 . 0 0 "[ . 1 . 2]" 1
134 4 48 LEU H 4 49 GLN H . . 3.940 2.518 2.056 2.951 . 0 0 "[ . 1 . 2]" 1
135 2 46 GLN HA 2 49 GLN H . . 5.190 3.652 3.231 4.055 . 0 0 "[ . 1 . 2]" 1
136 4 46 GLN HA 4 49 GLN H . . 5.190 3.627 3.168 4.056 . 0 0 "[ . 1 . 2]" 1
137 2 49 GLN H 2 49 GLN QG . . 4.620 3.164 2.019 4.328 . 0 0 "[ . 1 . 2]" 1
138 4 49 GLN H 4 49 GLN QG . . 4.620 3.236 2.092 4.335 . 0 0 "[ . 1 . 2]" 1
139 2 48 LEU HB3 2 49 GLN H . . 5.720 3.192 2.401 3.712 . 0 0 "[ . 1 . 2]" 1
140 4 48 LEU HB3 4 49 GLN H . . 5.720 3.259 2.405 3.973 . 0 0 "[ . 1 . 2]" 1
141 2 48 LEU QD 2 49 GLN H . . 5.250 4.106 3.445 4.511 . 0 0 "[ . 1 . 2]" 1
142 4 48 LEU QD 4 49 GLN H . . 5.250 4.137 3.278 4.522 . 0 0 "[ . 1 . 2]" 1
143 2 42 ARG H 2 45 GLN H . . 5.870 4.784 4.680 4.868 . 0 0 "[ . 1 . 2]" 1
144 4 42 ARG H 4 45 GLN H . . 5.870 4.788 4.707 4.876 . 0 0 "[ . 1 . 2]" 1
145 2 41 TYR QD 2 42 ARG H . . 5.040 3.836 2.945 4.371 . 0 0 "[ . 1 . 2]" 1
146 4 41 TYR QD 4 42 ARG H . . 5.040 3.945 2.953 4.400 . 0 0 "[ . 1 . 2]" 1
147 2 39 ASP HA 2 42 ARG H . . 5.530 3.523 2.984 4.028 . 0 0 "[ . 1 . 2]" 1
148 4 39 ASP HA 4 42 ARG H . . 5.530 3.516 3.121 3.840 . 0 0 "[ . 1 . 2]" 1
149 2 42 ARG H 2 43 GLN HA . . 6.200 5.461 5.383 5.576 . 0 0 "[ . 1 . 2]" 1
150 4 42 ARG H 4 43 GLN HA . . 6.200 5.474 5.371 5.548 . 0 0 "[ . 1 . 2]" 1
151 2 38 VAL HA 2 42 ARG H . . 5.900 3.886 3.602 4.158 . 0 0 "[ . 1 . 2]" 1
152 4 38 VAL HA 4 42 ARG H . . 5.900 3.875 3.614 4.134 . 0 0 "[ . 1 . 2]" 1
153 2 41 TYR QB 2 42 ARG H . . 5.380 2.656 2.418 3.538 . 0 0 "[ . 1 . 2]" 1
154 4 41 TYR QB 4 42 ARG H . . 5.380 2.577 2.301 2.831 . 0 0 "[ . 1 . 2]" 1
155 2 42 ARG H 2 42 ARG QD . . 5.410 4.372 3.891 4.805 . 0 0 "[ . 1 . 2]" 1
156 4 42 ARG H 4 42 ARG QD . . 5.410 4.304 3.912 4.887 . 0 0 "[ . 1 . 2]" 1
157 2 41 TYR HB3 2 42 ARG H . . 5.340 2.702 2.444 3.764 . 0 0 "[ . 1 . 2]" 1
158 4 41 TYR HB3 4 42 ARG H . . 5.340 2.613 2.323 2.885 . 0 0 "[ . 1 . 2]" 1
159 2 42 ARG H 2 45 GLN QB . . 5.350 4.779 4.433 5.106 . 0 0 "[ . 1 . 2]" 1
160 4 42 ARG H 4 45 GLN QB . . 5.350 4.770 4.394 5.242 . 0 0 "[ . 1 . 2]" 1
161 2 38 VAL QG 2 42 ARG H . . 5.730 4.213 3.793 4.707 . 0 0 "[ . 1 . 2]" 1
162 4 38 VAL QG 4 42 ARG H . . 5.730 4.162 3.622 4.807 . 0 0 "[ . 1 . 2]" 1
163 2 26 SER HA 2 29 LEU H . . 5.670 3.711 3.359 4.046 . 0 0 "[ . 1 . 2]" 1
164 4 26 SER HA 4 29 LEU H . . 5.670 3.759 3.362 4.082 . 0 0 "[ . 1 . 2]" 1
165 2 42 ARG H 2 43 GLN H . . 4.440 2.887 2.769 3.075 . 0 0 "[ . 1 . 2]" 1
166 4 42 ARG H 4 43 GLN H . . 4.440 2.908 2.760 3.002 . 0 0 "[ . 1 . 2]" 1
167 2 41 TYR H 2 43 GLN H . . 5.460 4.352 4.132 4.564 . 0 0 "[ . 1 . 2]" 1
168 4 41 TYR H 4 43 GLN H . . 5.460 4.354 4.161 4.556 . 0 0 "[ . 1 . 2]" 1
169 2 39 ASP HA 2 43 GLN H . . 5.850 4.077 3.745 4.421 . 0 0 "[ . 1 . 2]" 1
170 4 39 ASP HA 4 43 GLN H . . 5.850 4.082 3.730 4.350 . 0 0 "[ . 1 . 2]" 1
171 2 40 SER HA 2 43 GLN H . . 4.950 3.778 3.447 4.028 . 0 0 "[ . 1 . 2]" 1
172 4 40 SER HA 4 43 GLN H . . 4.950 3.795 3.456 4.134 . 0 0 "[ . 1 . 2]" 1
173 2 43 GLN H 2 45 GLN QB . . 5.600 5.097 4.782 5.408 . 0 0 "[ . 1 . 2]" 1
174 4 43 GLN H 4 45 GLN QB . . 5.600 5.115 4.715 5.633 0.033 19 0 "[ . 1 . 2]" 1
175 2 17 PHE H 2 19 ILE H . . 6.020 4.478 4.250 4.669 . 0 0 "[ . 1 . 2]" 1
176 4 17 PHE H 4 19 ILE H . . 6.020 4.448 4.242 4.700 . 0 0 "[ . 1 . 2]" 1
177 2 19 ILE H 2 20 LEU H . . 4.670 2.887 2.773 2.996 . 0 0 "[ . 1 . 2]" 1
178 4 19 ILE H 4 20 LEU H . . 4.670 2.841 2.698 2.976 . 0 0 "[ . 1 . 2]" 1
179 2 17 PHE QB 2 19 ILE H . . 6.590 5.012 4.777 5.210 . 0 0 "[ . 1 . 2]" 1
180 4 17 PHE QB 4 19 ILE H . . 6.590 4.981 4.833 5.101 . 0 0 "[ . 1 . 2]" 1
181 2 19 ILE H 2 19 ILE HB . . 3.910 2.308 2.087 2.492 . 0 0 "[ . 1 . 2]" 1
182 4 19 ILE H 4 19 ILE HB . . 3.910 2.323 2.171 2.610 . 0 0 "[ . 1 . 2]" 1
183 2 21 MET QG 2 23 LEU H . . 6.200 5.876 5.424 6.204 0.004 12 0 "[ . 1 . 2]" 1
184 4 21 MET QG 4 23 LEU H . . 6.200 5.854 5.305 6.054 . 0 0 "[ . 1 . 2]" 1
185 2 19 ILE H 2 19 ILE HG13 . . 4.940 2.246 2.002 2.585 . 0 0 "[ . 1 . 2]" 1
186 4 19 ILE H 4 19 ILE HG13 . . 4.940 2.255 2.152 2.530 . 0 0 "[ . 1 . 2]" 1
187 2 14 ARG H 2 15 LYS H . . 4.790 2.922 2.738 3.086 . 0 0 "[ . 1 . 2]" 1
188 4 14 ARG H 4 15 LYS H . . 4.790 2.973 2.787 3.203 . 0 0 "[ . 1 . 2]" 1
189 1 36 THR HA 1 38 GLU H . . 6.700 4.563 4.256 4.927 . 0 0 "[ . 1 . 2]" 1
190 3 36 THR HA 3 38 GLU H . . 6.700 4.520 4.239 4.901 . 0 0 "[ . 1 . 2]" 1
191 2 14 ARG QD 2 15 LYS H . . 6.440 4.698 4.158 5.051 . 0 0 "[ . 1 . 2]" 1
192 4 14 ARG QD 4 15 LYS H . . 6.440 4.720 4.305 5.020 . 0 0 "[ . 1 . 2]" 1
193 2 22 LYS H 2 23 LEU H . . 4.520 2.849 2.702 2.958 . 0 0 "[ . 1 . 2]" 1
194 4 22 LYS H 4 23 LEU H . . 4.520 2.838 2.732 3.030 . 0 0 "[ . 1 . 2]" 1
195 2 15 LYS HA 2 19 ILE H . . 6.080 3.978 3.690 4.231 . 0 0 "[ . 1 . 2]" 1
196 4 15 LYS HA 4 19 ILE H . . 6.080 3.994 3.721 4.285 . 0 0 "[ . 1 . 2]" 1
197 2 20 LEU HA 2 23 LEU H . . 5.390 3.540 3.369 3.871 . 0 0 "[ . 1 . 2]" 1
198 4 20 LEU HA 4 23 LEU H . . 5.390 3.550 3.386 3.886 . 0 0 "[ . 1 . 2]" 1
199 2 23 LEU H 2 23 LEU HG . . 4.600 2.423 2.190 2.794 . 0 0 "[ . 1 . 2]" 1
200 4 23 LEU H 4 23 LEU HG . . 4.600 2.418 2.167 2.699 . 0 0 "[ . 1 . 2]" 1
201 2 38 VAL H 2 39 ASP H . . 4.400 2.926 2.479 3.183 . 0 0 "[ . 1 . 2]" 1
202 4 38 VAL H 4 39 ASP H . . 4.400 2.923 2.570 3.117 . 0 0 "[ . 1 . 2]" 1
203 1 27 GLU H 1 29 MET H . . 6.190 4.296 4.038 4.588 . 0 0 "[ . 1 . 2]" 1
204 3 27 GLU H 3 29 MET H . . 6.190 4.304 4.149 4.499 . 0 0 "[ . 1 . 2]" 1
205 2 38 VAL HB 2 39 ASP H . . 4.280 2.693 2.284 4.018 . 0 0 "[ . 1 . 2]" 1
206 4 38 VAL HB 4 39 ASP H . . 4.280 2.697 2.232 4.088 . 0 0 "[ . 1 . 2]" 1
207 2 38 VAL QG 2 39 ASP H . . 4.400 3.019 2.141 3.320 . 0 0 "[ . 1 . 2]" 1
208 4 38 VAL QG 4 39 ASP H . . 4.400 3.053 2.176 3.296 . 0 0 "[ . 1 . 2]" 1
209 2 8 TYR H 2 9 LEU H . . 5.800 4.475 4.259 4.558 . 0 0 "[ . 1 . 2]" 1
210 4 8 TYR H 4 9 LEU H . . 5.800 4.481 4.340 4.627 . 0 0 "[ . 1 . 2]" 1
211 2 7 TYR H 2 8 TYR H . . 5.890 4.399 4.192 4.529 . 0 0 "[ . 1 . 2]" 1
212 4 7 TYR H 4 8 TYR H . . 5.890 4.404 4.242 4.528 . 0 0 "[ . 1 . 2]" 1
213 2 8 TYR H 2 8 TYR QD . . 4.860 2.707 2.039 3.584 . 0 0 "[ . 1 . 2]" 1
214 4 8 TYR H 4 8 TYR QD . . 4.860 2.709 2.226 3.544 . 0 0 "[ . 1 . 2]" 1
215 2 7 TYR QD 2 8 TYR H . . 5.600 3.711 3.112 4.205 . 0 0 "[ . 1 . 2]" 1
216 4 7 TYR QD 4 8 TYR H . . 5.600 3.637 3.038 4.324 . 0 0 "[ . 1 . 2]" 1
217 2 8 TYR H 2 8 TYR QE . . 5.970 4.721 4.057 5.416 . 0 0 "[ . 1 . 2]" 1
218 4 8 TYR H 4 8 TYR QE . . 5.970 4.685 4.034 5.037 . 0 0 "[ . 1 . 2]" 1
219 2 7 TYR QB 2 8 TYR H . . 4.710 2.989 2.661 3.195 . 0 0 "[ . 1 . 2]" 1
220 4 7 TYR QB 4 8 TYR H . . 4.710 2.964 2.495 3.255 . 0 0 "[ . 1 . 2]" 1
221 2 6 THR MG 2 8 TYR H . . 5.800 4.908 4.243 5.884 0.084 18 0 "[ . 1 . 2]" 1
222 4 6 THR MG 4 8 TYR H . . 5.800 4.934 4.288 5.909 0.109 19 0 "[ . 1 . 2]" 1
223 1 17 GLU QB 1 18 MET H . . 6.100 2.429 2.183 2.683 . 0 0 "[ . 1 . 2]" 1
224 3 17 GLU QB 3 18 MET H . . 6.100 2.421 2.149 2.767 . 0 0 "[ . 1 . 2]" 1
225 2 47 LEU HB3 2 48 LEU H . . 5.000 4.029 3.733 4.389 . 0 0 "[ . 1 . 2]" 1
226 4 47 LEU HB3 4 48 LEU H . . 5.000 3.912 2.779 4.250 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLU HA 1 18 MET H . . 5.890 3.976 3.557 4.360 . 0 0 "[ . 1 . 2]" 1
228 3 14 GLU HA 3 18 MET H . . 5.890 3.829 3.181 4.326 . 0 0 "[ . 1 . 2]" 1
229 2 45 GLN HA 2 47 LEU H . . 5.730 4.103 3.838 4.295 . 0 0 "[ . 1 . 2]" 1
230 4 45 GLN HA 4 47 LEU H . . 5.730 4.111 3.814 4.392 . 0 0 "[ . 1 . 2]" 1
231 2 43 GLN H 2 44 GLN H . . 4.120 2.764 2.633 2.995 . 0 0 "[ . 1 . 2]" 1
232 4 43 GLN H 4 44 GLN H . . 4.120 2.766 2.631 2.950 . 0 0 "[ . 1 . 2]" 1
233 1 40 TYR H 1 43 GLN H . . 5.430 4.815 4.609 5.093 . 0 0 "[ . 1 . 2]" 1
234 3 40 TYR H 3 43 GLN H . . 5.430 4.811 4.683 5.019 . 0 0 "[ . 1 . 2]" 1
235 2 42 ARG H 2 44 GLN H . . 5.960 4.435 4.138 4.768 . 0 0 "[ . 1 . 2]" 1
236 4 42 ARG H 4 44 GLN H . . 5.960 4.451 4.203 4.612 . 0 0 "[ . 1 . 2]" 1
237 1 46 GLN H 1 46 GLN QG . . 4.580 3.525 2.343 4.075 . 0 0 "[ . 1 . 2]" 1
238 3 46 GLN H 3 46 GLN QG . . 4.580 3.577 2.520 4.079 . 0 0 "[ . 1 . 2]" 1
239 1 45 GLN QB 1 46 GLN H . . 3.740 2.634 2.331 3.095 . 0 0 "[ . 1 . 2]" 1
240 3 45 GLN QB 3 46 GLN H . . 3.740 2.656 2.384 3.081 . 0 0 "[ . 1 . 2]" 1
241 2 21 MET H 2 24 LYS H . . 5.970 4.632 4.466 4.790 . 0 0 "[ . 1 . 2]" 1
242 4 21 MET H 4 24 LYS H . . 5.970 4.631 4.480 4.849 . 0 0 "[ . 1 . 2]" 1
243 2 20 LEU H 2 21 MET H . . 4.620 2.879 2.751 3.047 . 0 0 "[ . 1 . 2]" 1
244 4 20 LEU H 4 21 MET H . . 4.620 2.876 2.677 3.052 . 0 0 "[ . 1 . 2]" 1
245 2 19 ILE H 2 21 MET H . . 6.760 4.210 4.047 4.506 . 0 0 "[ . 1 . 2]" 1
246 4 19 ILE H 4 21 MET H . . 6.760 4.211 4.007 4.481 . 0 0 "[ . 1 . 2]" 1
247 2 17 PHE HA 2 21 MET H . . 5.780 3.733 3.464 3.937 . 0 0 "[ . 1 . 2]" 1
248 4 17 PHE HA 4 21 MET H . . 5.780 3.702 3.363 3.984 . 0 0 "[ . 1 . 2]" 1
249 2 18 GLU HA 2 21 MET H . . 5.520 3.843 3.502 4.093 . 0 0 "[ . 1 . 2]" 1
250 4 18 GLU HA 4 21 MET H . . 5.520 3.821 3.456 4.219 . 0 0 "[ . 1 . 2]" 1
251 2 20 LEU QB 2 21 MET H . . 5.460 2.889 2.522 3.081 . 0 0 "[ . 1 . 2]" 1
252 4 20 LEU QB 4 21 MET H . . 5.460 2.806 2.421 3.039 . 0 0 "[ . 1 . 2]" 1
253 2 46 GLN H 2 47 LEU H . . 4.110 2.722 2.532 2.931 . 0 0 "[ . 1 . 2]" 1
254 4 46 GLN H 4 47 LEU H . . 4.110 2.698 2.545 2.871 . 0 0 "[ . 1 . 2]" 1
255 2 45 GLN H 2 46 GLN H . . 4.150 2.602 2.457 2.746 . 0 0 "[ . 1 . 2]" 1
256 4 45 GLN H 4 46 GLN H . . 4.150 2.569 2.400 2.747 . 0 0 "[ . 1 . 2]" 1
257 2 46 GLN H 2 46 GLN QB . . 3.680 2.236 2.128 2.371 . 0 0 "[ . 1 . 2]" 1
258 4 46 GLN H 4 46 GLN QB . . 3.680 2.240 2.150 2.309 . 0 0 "[ . 1 . 2]" 1
259 2 45 GLN QB 2 46 GLN H . . 4.900 2.831 2.471 3.094 . 0 0 "[ . 1 . 2]" 1
260 4 45 GLN QB 4 46 GLN H . . 4.900 2.833 2.484 3.323 . 0 0 "[ . 1 . 2]" 1
261 2 29 LEU H 2 30 MET H . . 4.570 2.727 2.575 2.878 . 0 0 "[ . 1 . 2]" 1
262 4 29 LEU H 4 30 MET H . . 4.570 2.745 2.571 3.004 . 0 0 "[ . 1 . 2]" 1
263 2 26 SER HA 2 30 MET H . . 6.360 3.988 3.710 4.180 . 0 0 "[ . 1 . 2]" 1
264 4 26 SER HA 4 30 MET H . . 6.360 3.988 3.702 4.208 . 0 0 "[ . 1 . 2]" 1
265 1 29 MET HA 2 30 MET H . . 6.600 6.523 6.074 6.684 0.084 1 0 "[ . 1 . 2]" 1
266 3 29 MET HA 4 30 MET H . . 6.600 6.536 6.242 6.686 0.086 19 0 "[ . 1 . 2]" 1
267 2 30 MET H 2 30 MET QG . . 5.110 3.876 2.618 4.094 . 0 0 "[ . 1 . 2]" 1
268 4 30 MET H 4 30 MET QG . . 5.110 3.833 2.291 4.077 . 0 0 "[ . 1 . 2]" 1
269 2 29 LEU HB3 2 30 MET H . . 5.910 3.321 2.697 3.662 . 0 0 "[ . 1 . 2]" 1
270 4 29 LEU HB3 4 30 MET H . . 5.910 3.338 2.746 3.719 . 0 0 "[ . 1 . 2]" 1
271 2 29 LEU HB2 2 30 MET H . . 5.950 2.758 2.357 3.443 . 0 0 "[ . 1 . 2]" 1
272 4 29 LEU HB2 4 30 MET H . . 5.950 2.763 2.251 3.497 . 0 0 "[ . 1 . 2]" 1
273 2 30 MET H 2 33 VAL QG . . 5.680 4.595 3.893 5.420 . 0 0 "[ . 1 . 2]" 1
274 4 30 MET H 4 33 VAL QG . . 5.680 4.642 3.803 5.502 . 0 0 "[ . 1 . 2]" 1
275 1 13 ARG HA 1 15 THR H . . 5.480 4.462 4.279 4.785 . 0 0 "[ . 1 . 2]" 1
276 3 13 ARG HA 3 15 THR H . . 5.480 4.548 4.300 4.795 . 0 0 "[ . 1 . 2]" 1
277 2 19 ILE HB 2 20 LEU H . . 4.180 2.523 2.372 2.815 . 0 0 "[ . 1 . 2]" 1
278 4 19 ILE HB 4 20 LEU H . . 4.180 2.500 2.321 2.730 . 0 0 "[ . 1 . 2]" 1
279 2 19 ILE QG 2 20 LEU H . . 6.090 4.194 4.088 4.366 . 0 0 "[ . 1 . 2]" 1
280 4 19 ILE QG 4 20 LEU H . . 6.090 4.174 4.085 4.274 . 0 0 "[ . 1 . 2]" 1
281 2 17 PHE H 2 18 GLU H . . 4.800 2.806 2.638 3.105 . 0 0 "[ . 1 . 2]" 1
282 4 17 PHE H 4 18 GLU H . . 4.800 2.794 2.606 2.998 . 0 0 "[ . 1 . 2]" 1
283 2 18 GLU H 2 19 ILE H . . 4.730 2.859 2.758 3.026 . 0 0 "[ . 1 . 2]" 1
284 4 18 GLU H 4 19 ILE H . . 4.730 2.859 2.776 3.053 . 0 0 "[ . 1 . 2]" 1
285 2 17 PHE QD 2 18 GLU H . . 5.460 3.837 3.297 4.471 . 0 0 "[ . 1 . 2]" 1
286 4 17 PHE QD 4 18 GLU H . . 5.460 3.787 3.227 4.400 . 0 0 "[ . 1 . 2]" 1
287 2 15 LYS HA 2 18 GLU H . . 6.500 3.630 3.178 3.867 . 0 0 "[ . 1 . 2]" 1
288 4 15 LYS HA 4 18 GLU H . . 6.500 3.603 3.381 3.881 . 0 0 "[ . 1 . 2]" 1
289 2 17 PHE HB3 2 18 GLU H . . 5.050 2.690 2.503 3.011 . 0 0 "[ . 1 . 2]" 1
290 4 17 PHE HB3 4 18 GLU H . . 5.050 2.663 2.405 2.891 . 0 0 "[ . 1 . 2]" 1
291 2 18 GLU H 2 18 GLU QG . . 4.970 2.814 2.045 3.949 . 0 0 "[ . 1 . 2]" 1
292 4 18 GLU H 4 18 GLU QG . . 4.970 2.838 2.063 3.888 . 0 0 "[ . 1 . 2]" 1
293 2 14 ARG QG 2 18 GLU H . . 6.080 4.939 4.349 5.366 . 0 0 "[ . 1 . 2]" 1
294 4 14 ARG QG 4 18 GLU H . . 6.080 4.907 4.568 5.181 . 0 0 "[ . 1 . 2]" 1
295 2 18 GLU H 2 19 ILE QG . . 6.500 4.567 4.207 4.964 . 0 0 "[ . 1 . 2]" 1
296 4 18 GLU H 4 19 ILE QG . . 6.500 4.569 4.379 4.832 . 0 0 "[ . 1 . 2]" 1
297 2 44 GLN QG 2 45 GLN H . . 5.680 3.906 2.670 4.364 . 0 0 "[ . 1 . 2]" 1
298 4 44 GLN QG 4 45 GLN H . . 5.680 3.896 2.184 4.292 . 0 0 "[ . 1 . 2]" 1
299 2 31 GLU QB 2 32 LEU H . . 5.180 2.762 2.298 3.124 . 0 0 "[ . 1 . 2]" 1
300 4 31 GLU QB 4 32 LEU H . . 5.180 2.776 2.457 3.198 . 0 0 "[ . 1 . 2]" 1
301 2 32 LEU H 2 32 LEU HG . . 4.510 3.053 2.348 4.502 . 0 0 "[ . 1 . 2]" 1
302 4 32 LEU H 4 32 LEU HG . . 4.510 3.048 2.445 4.538 0.028 12 0 "[ . 1 . 2]" 1
303 1 36 THR MG 2 32 LEU H . . 6.450 5.834 4.868 6.534 0.084 9 0 "[ . 1 . 2]" 1
304 3 36 THR MG 4 32 LEU H . . 6.450 5.888 4.817 6.552 0.102 1 0 "[ . 1 . 2]" 1
305 2 32 LEU H 2 32 LEU QD . . 4.530 3.290 2.988 3.815 . 0 0 "[ . 1 . 2]" 1
306 4 32 LEU H 4 32 LEU QD . . 4.530 3.310 3.002 3.812 . 0 0 "[ . 1 . 2]" 1
307 2 24 LYS H 2 25 GLU H . . 4.770 2.733 2.484 2.891 . 0 0 "[ . 1 . 2]" 1
308 4 24 LYS H 4 25 GLU H . . 4.770 2.781 2.503 3.105 . 0 0 "[ . 1 . 2]" 1
309 2 15 LYS H 2 16 ASN H . . 4.460 2.617 2.425 2.797 . 0 0 "[ . 1 . 2]" 1
310 4 15 LYS H 4 16 ASN H . . 4.460 2.614 2.473 2.724 . 0 0 "[ . 1 . 2]" 1
311 2 16 ASN H 2 18 GLU H . . 5.800 4.489 4.315 4.688 . 0 0 "[ . 1 . 2]" 1
312 4 16 ASN H 4 18 GLU H . . 5.800 4.462 4.273 4.636 . 0 0 "[ . 1 . 2]" 1
313 1 22 ILE H 1 24 GLU H . . 6.440 4.284 4.023 4.521 . 0 0 "[ . 1 . 2]" 1
314 3 22 ILE H 3 24 GLU H . . 6.440 4.277 4.017 4.526 . 0 0 "[ . 1 . 2]" 1
315 2 16 ASN H 2 17 PHE H . . 4.310 3.036 2.881 3.180 . 0 0 "[ . 1 . 2]" 1
316 4 16 ASN H 4 17 PHE H . . 4.310 3.017 2.831 3.127 . 0 0 "[ . 1 . 2]" 1
317 2 13 GLY HA2 2 16 ASN H . . 5.890 4.246 3.999 4.542 . 0 0 "[ . 1 . 2]" 1
318 4 13 GLY HA2 4 16 ASN H . . 5.890 4.273 3.920 4.599 . 0 0 "[ . 1 . 2]" 1
319 2 13 GLY HA3 2 16 ASN H . . 5.900 3.537 3.218 3.874 . 0 0 "[ . 1 . 2]" 1
320 4 13 GLY HA3 4 16 ASN H . . 5.900 3.518 3.123 3.895 . 0 0 "[ . 1 . 2]" 1
321 2 14 ARG HA 2 16 ASN H . . 6.120 4.744 4.396 4.952 . 0 0 "[ . 1 . 2]" 1
322 4 14 ARG HA 4 16 ASN H . . 6.120 4.709 4.556 4.924 . 0 0 "[ . 1 . 2]" 1
323 2 16 ASN H 2 17 PHE HB3 . . 6.080 5.375 5.102 5.656 . 0 0 "[ . 1 . 2]" 1
324 4 16 ASN H 4 17 PHE HB3 . . 6.080 5.291 5.103 5.539 . 0 0 "[ . 1 . 2]" 1
325 2 16 ASN H 2 17 PHE HB2 . . 6.100 5.471 5.171 5.686 . 0 0 "[ . 1 . 2]" 1
326 4 16 ASN H 4 17 PHE HB2 . . 6.100 5.469 5.304 5.621 . 0 0 "[ . 1 . 2]" 1
327 2 37 LEU H 2 38 VAL H . . 4.200 2.663 2.518 2.784 . 0 0 "[ . 1 . 2]" 1
328 4 37 LEU H 4 38 VAL H . . 4.200 2.654 2.559 2.890 . 0 0 "[ . 1 . 2]" 1
329 2 37 LEU H 2 39 ASP H . . 5.760 4.588 4.352 4.926 . 0 0 "[ . 1 . 2]" 1
330 4 37 LEU H 4 39 ASP H . . 5.760 4.554 4.319 4.789 . 0 0 "[ . 1 . 2]" 1
331 2 37 LEU H 2 38 VAL HB . . 6.760 5.192 4.457 6.350 . 0 0 "[ . 1 . 2]" 1
332 4 37 LEU H 4 38 VAL HB . . 6.760 5.221 4.395 6.465 . 0 0 "[ . 1 . 2]" 1
333 1 32 LEU QB 2 37 LEU H . . 6.170 5.700 4.106 6.274 0.104 4 0 "[ . 1 . 2]" 1
334 3 32 LEU QB 4 37 LEU H . . 6.170 5.707 3.942 6.272 0.102 4 0 "[ . 1 . 2]" 1
335 2 37 LEU H 2 38 VAL QG . . 5.820 3.608 3.346 4.554 . 0 0 "[ . 1 . 2]" 1
336 4 37 LEU H 4 38 VAL QG . . 5.820 3.599 3.413 4.337 . 0 0 "[ . 1 . 2]" 1
337 2 30 MET H 2 31 GLU H . . 4.430 2.737 2.585 2.915 . 0 0 "[ . 1 . 2]" 1
338 4 30 MET H 4 31 GLU H . . 4.430 2.744 2.485 2.894 . 0 0 "[ . 1 . 2]" 1
339 2 31 GLU H 2 32 LEU H . . 4.210 2.541 2.375 2.701 . 0 0 "[ . 1 . 2]" 1
340 4 31 GLU H 4 32 LEU H . . 4.210 2.533 2.334 2.734 . 0 0 "[ . 1 . 2]" 1
341 2 31 GLU H 2 32 LEU HA . . 6.090 5.185 5.021 5.310 . 0 0 "[ . 1 . 2]" 1
342 4 31 GLU H 4 32 LEU HA . . 6.090 5.182 5.026 5.315 . 0 0 "[ . 1 . 2]" 1
343 2 30 MET HB3 2 31 GLU H . . 6.090 3.039 2.686 4.215 . 0 0 "[ . 1 . 2]" 1
344 4 30 MET HB3 4 31 GLU H . . 6.090 3.081 2.475 4.193 . 0 0 "[ . 1 . 2]" 1
345 2 31 GLU H 2 31 GLU QG . . 4.440 3.615 2.501 4.098 . 0 0 "[ . 1 . 2]" 1
346 4 31 GLU H 4 31 GLU QG . . 4.440 3.867 2.798 4.073 . 0 0 "[ . 1 . 2]" 1
347 2 29 LEU QB 2 31 GLU H . . 6.850 4.569 4.423 4.881 . 0 0 "[ . 1 . 2]" 1
348 4 29 LEU QB 4 31 GLU H . . 6.850 4.584 4.430 5.032 . 0 0 "[ . 1 . 2]" 1
349 2 31 GLU H 2 32 LEU QD . . 6.570 4.830 4.359 5.642 . 0 0 "[ . 1 . 2]" 1
350 4 31 GLU H 4 32 LEU QD . . 6.570 4.852 4.492 5.669 . 0 0 "[ . 1 . 2]" 1
351 2 39 ASP H 2 40 SER H . . 4.370 2.709 2.397 2.915 . 0 0 "[ . 1 . 2]" 1
352 4 39 ASP H 4 40 SER H . . 4.370 2.705 2.470 2.844 . 0 0 "[ . 1 . 2]" 1
353 2 40 SER H 2 42 ARG H . . 5.610 4.185 3.858 4.536 . 0 0 "[ . 1 . 2]" 1
354 4 40 SER H 4 42 ARG H . . 5.610 4.209 3.942 4.554 . 0 0 "[ . 1 . 2]" 1
355 2 40 SER H 2 41 TYR H . . 4.320 2.790 2.611 2.928 . 0 0 "[ . 1 . 2]" 1
356 4 40 SER H 4 41 TYR H . . 4.320 2.815 2.733 2.960 . 0 0 "[ . 1 . 2]" 1
357 2 40 SER H 2 43 GLN H . . 5.720 4.938 4.784 5.185 . 0 0 "[ . 1 . 2]" 1
358 4 40 SER H 4 43 GLN H . . 5.720 4.939 4.722 5.133 . 0 0 "[ . 1 . 2]" 1
359 2 38 VAL H 2 40 SER H . . 5.980 4.270 3.941 4.522 . 0 0 "[ . 1 . 2]" 1
360 4 38 VAL H 4 40 SER H . . 5.980 4.267 4.013 4.496 . 0 0 "[ . 1 . 2]" 1
361 2 38 VAL HA 2 40 SER H . . 6.420 4.707 4.340 5.061 . 0 0 "[ . 1 . 2]" 1
362 4 38 VAL HA 4 40 SER H . . 6.420 4.681 4.425 4.997 . 0 0 "[ . 1 . 2]" 1
363 2 39 ASP QB 2 40 SER H . . 4.360 2.557 2.293 2.920 . 0 0 "[ . 1 . 2]" 1
364 4 39 ASP QB 4 40 SER H . . 4.360 2.531 2.217 2.802 . 0 0 "[ . 1 . 2]" 1
365 2 38 VAL HB 2 40 SER H . . 5.940 5.141 4.698 5.986 0.046 11 0 "[ . 1 . 2]" 1
366 4 38 VAL HB 4 40 SER H . . 5.940 5.141 4.680 5.995 0.055 15 0 "[ . 1 . 2]" 1
367 2 38 VAL QG 2 40 SER H . . 5.780 4.657 4.097 4.911 . 0 0 "[ . 1 . 2]" 1
368 4 38 VAL QG 4 40 SER H . . 5.780 4.662 4.150 4.925 . 0 0 "[ . 1 . 2]" 1
369 2 12 ARG H 2 13 GLY H . . 6.110 4.144 3.930 4.349 . 0 0 "[ . 1 . 2]" 1
370 4 12 ARG H 4 13 GLY H . . 6.110 4.122 3.899 4.368 . 0 0 "[ . 1 . 2]" 1
371 2 13 GLY H 2 17 PHE QB . . 6.280 3.380 3.036 3.612 . 0 0 "[ . 1 . 2]" 1
372 4 13 GLY H 4 17 PHE QB . . 6.280 3.343 3.081 3.528 . 0 0 "[ . 1 . 2]" 1
373 2 11 VAL HB 2 13 GLY H . . 6.650 4.673 4.217 5.187 . 0 0 "[ . 1 . 2]" 1
374 4 11 VAL HB 4 13 GLY H . . 6.650 4.677 4.100 5.308 . 0 0 "[ . 1 . 2]" 1
375 2 12 ARG HB3 2 13 GLY H . . 5.840 4.399 3.818 4.611 . 0 0 "[ . 1 . 2]" 1
376 4 12 ARG HB3 4 13 GLY H . . 5.840 4.378 3.758 4.549 . 0 0 "[ . 1 . 2]" 1
377 2 12 ARG QG 2 13 GLY H . . 5.210 4.354 3.173 4.722 . 0 0 "[ . 1 . 2]" 1
378 4 12 ARG QG 4 13 GLY H . . 5.210 4.430 3.217 4.913 . 0 0 "[ . 1 . 2]" 1
379 2 26 SER H 2 27 LEU H . . 4.730 2.900 2.709 3.086 . 0 0 "[ . 1 . 2]" 1
380 4 26 SER H 4 27 LEU H . . 4.730 2.927 2.730 3.170 . 0 0 "[ . 1 . 2]" 1
381 2 5 ASP H 2 6 THR H . . 4.820 4.033 2.611 4.712 . 0 0 "[ . 1 . 2]" 1
382 4 5 ASP H 4 6 THR H . . 4.820 4.032 2.552 4.754 . 0 0 "[ . 1 . 2]" 1
383 2 6 THR H 2 7 TYR H . . 5.470 4.493 4.188 4.770 . 0 0 "[ . 1 . 2]" 1
384 4 6 THR H 4 7 TYR H . . 5.470 4.481 4.134 4.686 . 0 0 "[ . 1 . 2]" 1
385 2 23 LEU HA 2 26 SER H . . 5.020 3.535 3.103 4.159 . 0 0 "[ . 1 . 2]" 1
386 4 23 LEU HA 4 26 SER H . . 5.020 3.524 3.209 4.019 . 0 0 "[ . 1 . 2]" 1
387 2 26 SER H 2 27 LEU HA . . 6.780 5.451 5.330 5.576 . 0 0 "[ . 1 . 2]" 1
388 4 26 SER H 4 27 LEU HA . . 6.780 5.475 5.339 5.599 . 0 0 "[ . 1 . 2]" 1
389 2 6 THR H 2 6 THR HB . . 3.970 2.811 2.268 3.675 . 0 0 "[ . 1 . 2]" 1
390 4 6 THR H 4 6 THR HB . . 3.970 2.843 2.288 3.406 . 0 0 "[ . 1 . 2]" 1
391 2 6 THR H 2 7 TYR HA . . 6.220 4.940 4.454 5.717 . 0 0 "[ . 1 . 2]" 1
392 4 6 THR H 4 7 TYR HA . . 6.220 4.951 4.378 5.611 . 0 0 "[ . 1 . 2]" 1
393 2 5 ASP QB 2 6 THR H . . 4.380 3.172 1.920 4.087 . 0 0 "[ . 1 . 2]" 1
394 4 5 ASP QB 4 6 THR H . . 4.380 3.300 2.053 4.079 . 0 0 "[ . 1 . 2]" 1
395 2 25 GLU QB 2 26 SER H . . 5.100 2.521 2.184 2.904 . 0 0 "[ . 1 . 2]" 1
396 4 25 GLU QB 4 26 SER H . . 5.100 2.528 2.223 3.088 . 0 0 "[ . 1 . 2]" 1
397 2 24 LYS QB 2 26 SER H . . 6.750 4.706 4.443 5.139 . 0 0 "[ . 1 . 2]" 1
398 4 24 LYS QB 4 26 SER H . . 6.750 4.706 4.392 4.999 . 0 0 "[ . 1 . 2]" 1
399 2 26 SER H 4 20 LEU QD . . 6.670 6.005 5.594 6.782 0.112 2 0 "[ . 1 . 2]" 1
400 2 20 LEU QD 4 26 SER H . . 6.670 5.935 5.507 6.687 0.017 2 0 "[ . 1 . 2]" 1
401 2 16 ASN HA 2 19 ILE MD . . 4.800 3.265 2.692 3.933 . 0 0 "[ . 1 . 2]" 1
402 4 16 ASN HA 4 19 ILE MD . . 4.800 3.131 2.712 3.815 . 0 0 "[ . 1 . 2]" 1
403 2 34 PRO HA 2 35 GLN HA . . 6.670 4.528 4.399 4.863 . 0 0 "[ . 1 . 2]" 1
404 4 34 PRO HA 4 35 GLN HA . . 6.670 4.533 4.410 4.876 . 0 0 "[ . 1 . 2]" 1
405 2 16 ASN HA 2 19 ILE MG . . 5.270 4.012 3.583 4.586 . 0 0 "[ . 1 . 2]" 1
406 4 16 ASN HA 4 19 ILE MG . . 5.270 4.033 3.641 5.052 . 0 0 "[ . 1 . 2]" 1
407 2 16 ASN HA 2 19 ILE HB . . 5.390 2.925 2.593 3.514 . 0 0 "[ . 1 . 2]" 1
408 4 16 ASN HA 4 19 ILE HB . . 5.390 2.897 2.529 3.631 . 0 0 "[ . 1 . 2]" 1
409 2 39 ASP HA 2 42 ARG QD . . 5.730 3.985 2.944 5.635 . 0 0 "[ . 1 . 2]" 1
410 4 39 ASP HA 4 42 ARG QD . . 5.730 3.823 2.474 5.232 . 0 0 "[ . 1 . 2]" 1
411 2 23 LEU HA 2 23 LEU QD . . 4.250 2.103 2.009 2.272 . 0 0 "[ . 1 . 2]" 1
412 4 23 LEU HA 4 23 LEU QD . . 4.250 2.099 2.016 2.190 . 0 0 "[ . 1 . 2]" 1
413 2 30 MET QG 2 31 GLU HA . . 6.500 4.402 3.805 5.658 . 0 0 "[ . 1 . 2]" 1
414 4 30 MET QG 4 31 GLU HA . . 6.500 4.405 3.742 5.885 . 0 0 "[ . 1 . 2]" 1
415 1 36 THR HB 2 32 LEU QD . . 6.270 4.562 3.707 5.822 . 0 0 "[ . 1 . 2]" 1
416 3 36 THR HB 4 32 LEU QD . . 6.270 4.444 3.667 5.525 . 0 0 "[ . 1 . 2]" 1
417 2 45 GLN HA 2 46 GLN HA . . 5.270 4.856 4.767 4.927 . 0 0 "[ . 1 . 2]" 1
418 4 45 GLN HA 4 46 GLN HA . . 5.270 4.842 4.654 4.922 . 0 0 "[ . 1 . 2]" 1
419 1 21 GLU HA 1 24 GLU QB . . 6.430 2.917 2.257 3.583 . 0 0 "[ . 1 . 2]" 1
420 3 21 GLU HA 3 24 GLU QB . . 6.430 3.028 2.406 3.360 . 0 0 "[ . 1 . 2]" 1
421 2 42 ARG QD 2 43 GLN HA . . 5.880 3.182 2.536 4.953 . 0 0 "[ . 1 . 2]" 1
422 4 42 ARG QD 4 43 GLN HA . . 5.880 3.166 2.552 4.687 . 0 0 "[ . 1 . 2]" 1
423 2 43 GLN HA 2 46 GLN QB . . 4.770 2.438 2.179 2.791 . 0 0 "[ . 1 . 2]" 1
424 4 43 GLN HA 4 46 GLN QB . . 4.770 2.492 2.282 2.815 . 0 0 "[ . 1 . 2]" 1
425 2 44 GLN HA 2 47 LEU HG . . 6.690 3.616 2.262 4.508 . 0 0 "[ . 1 . 2]" 1
426 4 44 GLN HA 4 47 LEU HG . . 6.690 3.817 2.609 5.366 . 0 0 "[ . 1 . 2]" 1
427 2 44 GLN HA 2 47 LEU QD . . 4.540 2.699 2.294 4.190 . 0 0 "[ . 1 . 2]" 1
428 4 44 GLN HA 4 47 LEU QD . . 4.540 2.682 2.098 3.990 . 0 0 "[ . 1 . 2]" 1
429 2 21 MET QG 2 22 LYS HA . . 6.080 5.213 3.739 5.849 . 0 0 "[ . 1 . 2]" 1
430 4 21 MET QG 4 22 LYS HA . . 6.080 5.204 3.607 5.908 . 0 0 "[ . 1 . 2]" 1
431 2 30 MET HA 2 31 GLU QB . . 5.650 5.257 5.089 5.491 . 0 0 "[ . 1 . 2]" 1
432 4 30 MET HA 4 31 GLU QB . . 5.650 5.210 5.080 5.488 . 0 0 "[ . 1 . 2]" 1
433 2 22 LYS HA 2 22 LYS QD . . 5.080 4.319 3.904 4.543 . 0 0 "[ . 1 . 2]" 1
434 4 22 LYS HA 4 22 LYS QD . . 5.080 4.277 3.805 4.586 . 0 0 "[ . 1 . 2]" 1
435 2 9 LEU QD 4 21 MET HA . . 5.150 3.187 2.718 3.903 . 0 0 "[ . 1 . 2]" 1
436 2 21 MET HA 4 9 LEU QD . . 5.150 3.168 2.484 3.809 . 0 0 "[ . 1 . 2]" 1
437 1 26 LEU HA 2 23 LEU QD . . 6.140 4.412 3.593 5.135 . 0 0 "[ . 1 . 2]" 1
438 3 26 LEU HA 4 23 LEU QD . . 6.140 4.435 3.500 5.159 . 0 0 "[ . 1 . 2]" 1
439 2 22 LYS HA 2 22 LYS QE . . 5.720 4.337 3.908 5.137 . 0 0 "[ . 1 . 2]" 1
440 4 22 LYS HA 4 22 LYS QE . . 5.720 4.339 3.645 5.268 . 0 0 "[ . 1 . 2]" 1
441 2 22 LYS HA 2 25 GLU QB . . 5.980 3.081 2.345 3.846 . 0 0 "[ . 1 . 2]" 1
442 4 22 LYS HA 4 25 GLU QB . . 5.980 3.134 2.261 3.949 . 0 0 "[ . 1 . 2]" 1
443 2 22 LYS HA 2 23 LEU HG . . 6.690 5.561 5.294 5.841 . 0 0 "[ . 1 . 2]" 1
444 4 22 LYS HA 4 23 LEU HG . . 6.690 5.592 5.167 5.834 . 0 0 "[ . 1 . 2]" 1
445 1 28 LEU HA 2 37 LEU QD . . 6.930 4.204 3.431 5.001 . 0 0 "[ . 1 . 2]" 1
446 3 28 LEU HA 4 37 LEU QD . . 6.930 4.268 3.484 5.892 . 0 0 "[ . 1 . 2]" 1
447 1 44 GLN HA 1 45 GLN QB . . 6.440 5.286 5.152 5.492 . 0 0 "[ . 1 . 2]" 1
448 3 44 GLN HA 3 45 GLN QB . . 6.440 5.289 5.140 5.540 . 0 0 "[ . 1 . 2]" 1
449 2 45 GLN HA 2 48 LEU HG . . 6.570 5.729 4.298 6.504 . 0 0 "[ . 1 . 2]" 1
450 4 45 GLN HA 4 48 LEU HG . . 6.570 5.678 3.947 6.629 0.059 8 0 "[ . 1 . 2]" 1
451 2 29 LEU HA 2 32 LEU QD . . 4.660 2.651 2.100 3.697 . 0 0 "[ . 1 . 2]" 1
452 4 29 LEU HA 4 32 LEU QD . . 4.660 2.692 2.094 3.664 . 0 0 "[ . 1 . 2]" 1
453 2 45 GLN HA 2 48 LEU QD . . 5.190 3.782 2.846 4.288 . 0 0 "[ . 1 . 2]" 1
454 4 45 GLN HA 4 48 LEU QD . . 5.190 3.815 3.246 4.386 . 0 0 "[ . 1 . 2]" 1
455 2 34 PRO HB2 2 36 PRO QD . . 5.790 2.804 2.086 4.378 . 0 0 "[ . 1 . 2]" 1
456 4 34 PRO HB2 4 36 PRO QD . . 5.790 2.725 2.151 4.395 . 0 0 "[ . 1 . 2]" 1
457 2 35 GLN QB 2 36 PRO QD . . 5.610 3.925 3.675 4.047 . 0 0 "[ . 1 . 2]" 1
458 4 35 GLN QB 4 36 PRO QD . . 5.610 3.936 3.735 4.079 . 0 0 "[ . 1 . 2]" 1
459 2 19 ILE MG 2 20 LEU HA . . 5.110 3.254 3.077 3.515 . 0 0 "[ . 1 . 2]" 1
460 4 19 ILE MG 4 20 LEU HA . . 5.110 3.254 3.100 3.643 . 0 0 "[ . 1 . 2]" 1
461 2 20 LEU HA 2 23 LEU QD . . 6.510 3.066 2.189 3.607 . 0 0 "[ . 1 . 2]" 1
462 4 20 LEU HA 4 23 LEU QD . . 6.510 3.088 2.275 3.618 . 0 0 "[ . 1 . 2]" 1
463 2 42 ARG HA 2 45 GLN QG . . 5.600 4.817 4.116 5.598 . 0 0 "[ . 1 . 2]" 1
464 4 42 ARG HA 4 45 GLN QG . . 5.600 4.835 3.708 5.550 . 0 0 "[ . 1 . 2]" 1
465 2 19 ILE HA 2 22 LYS QE . . 5.240 3.529 2.300 5.312 0.072 8 0 "[ . 1 . 2]" 1
466 4 19 ILE HA 4 22 LYS QE . . 5.240 3.736 1.969 5.333 0.093 8 0 "[ . 1 . 2]" 1
467 2 19 ILE HA 2 22 LYS QB . . 6.590 3.377 2.559 4.630 . 0 0 "[ . 1 . 2]" 1
468 4 19 ILE HA 4 22 LYS QB . . 6.590 3.359 2.605 4.549 . 0 0 "[ . 1 . 2]" 1
469 2 19 ILE HA 2 22 LYS QD . . 5.160 3.535 2.581 4.929 . 0 0 "[ . 1 . 2]" 1
470 4 19 ILE HA 4 22 LYS QD . . 5.160 3.667 2.537 5.216 0.056 4 0 "[ . 1 . 2]" 1
471 2 14 ARG HA 2 14 ARG QD . . 4.690 2.351 2.108 2.886 . 0 0 "[ . 1 . 2]" 1
472 4 14 ARG HA 4 14 ARG QD . . 4.690 2.316 2.089 2.878 . 0 0 "[ . 1 . 2]" 1
473 2 35 GLN HB3 2 36 PRO HD3 . . 5.800 5.118 4.780 5.261 . 0 0 "[ . 1 . 2]" 1
474 4 35 GLN HB3 4 36 PRO HD3 . . 5.800 5.102 4.824 5.264 . 0 0 "[ . 1 . 2]" 1
475 2 16 ASN HB2 4 27 LEU HG . . 6.230 5.587 4.392 6.218 . 0 0 "[ . 1 . 2]" 1
476 2 27 LEU HG 4 16 ASN HB2 . . 6.230 5.431 4.476 6.212 . 0 0 "[ . 1 . 2]" 1
477 2 15 LYS QE 2 19 ILE MD . . 6.560 4.325 2.639 5.893 . 0 0 "[ . 1 . 2]" 1
478 4 15 LYS QE 4 19 ILE MD . . 6.560 4.283 2.037 6.300 . 0 0 "[ . 1 . 2]" 1
479 2 14 ARG HA 2 17 PHE QB . . 5.580 3.397 2.930 3.825 . 0 0 "[ . 1 . 2]" 1
480 4 14 ARG HA 4 17 PHE QB . . 5.580 3.372 3.201 3.728 . 0 0 "[ . 1 . 2]" 1
481 2 34 PRO HB2 2 36 PRO HD3 . . 5.380 2.854 2.102 4.514 . 0 0 "[ . 1 . 2]" 1
482 4 34 PRO HB2 4 36 PRO HD3 . . 5.380 2.769 2.179 4.534 . 0 0 "[ . 1 . 2]" 1
483 2 34 PRO HB2 2 35 GLN HA . . 5.110 4.611 4.364 4.905 . 0 0 "[ . 1 . 2]" 1
484 4 34 PRO HB2 4 35 GLN HA . . 5.110 4.593 4.440 4.772 . 0 0 "[ . 1 . 2]" 1
485 2 35 GLN HB2 2 36 PRO HD3 . . 5.880 5.093 4.670 5.384 . 0 0 "[ . 1 . 2]" 1
486 4 35 GLN HB2 4 36 PRO HD3 . . 5.880 5.106 4.729 5.403 . 0 0 "[ . 1 . 2]" 1
487 2 34 PRO HB2 2 35 GLN QB . . 4.750 4.710 4.282 4.847 0.097 16 0 "[ . 1 . 2]" 1
488 4 34 PRO HB2 4 35 GLN QB . . 4.750 4.693 4.221 4.841 0.091 17 0 "[ . 1 . 2]" 1
489 2 16 ASN QB 4 27 LEU HG . . 6.200 4.468 3.331 5.176 . 0 0 "[ . 1 . 2]" 1
490 2 27 LEU HG 4 16 ASN QB . . 6.200 4.374 2.914 5.164 . 0 0 "[ . 1 . 2]" 1
491 2 35 GLN HA 2 38 VAL HB . . 5.020 3.355 2.396 4.804 . 0 0 "[ . 1 . 2]" 1
492 4 35 GLN HA 4 38 VAL HB . . 5.020 3.378 2.451 4.722 . 0 0 "[ . 1 . 2]" 1
493 1 20 LEU QD 1 24 GLU QB . . 5.920 2.676 2.066 4.201 . 0 0 "[ . 1 . 2]" 1
494 3 20 LEU QD 3 24 GLU QB . . 5.920 2.647 2.057 4.018 . 0 0 "[ . 1 . 2]" 1
495 2 46 GLN QB 2 47 LEU QD . . 6.280 3.908 2.929 4.641 . 0 0 "[ . 1 . 2]" 1
496 4 46 GLN QB 4 47 LEU QD . . 6.280 3.980 3.360 5.206 . 0 0 "[ . 1 . 2]" 1
497 2 34 PRO HG2 2 36 PRO QD . . 5.760 2.347 2.060 2.707 . 0 0 "[ . 1 . 2]" 1
498 4 34 PRO HG2 4 36 PRO QD . . 5.760 2.383 2.084 3.192 . 0 0 "[ . 1 . 2]" 1
499 2 44 GLN QB 2 47 LEU QB . . 6.850 5.036 4.146 5.357 . 0 0 "[ . 1 . 2]" 1
500 4 44 GLN QB 4 47 LEU QB . . 6.850 4.992 4.322 5.315 . 0 0 "[ . 1 . 2]" 1
501 2 44 GLN QB 2 45 GLN HA . . 4.510 4.216 3.928 4.599 0.089 7 0 "[ . 1 . 2]" 1
502 4 44 GLN QB 4 45 GLN HA . . 4.510 4.231 3.814 4.570 0.060 7 0 "[ . 1 . 2]" 1
503 2 31 GLU QB 2 32 LEU QD . . 5.820 4.487 4.062 4.868 . 0 0 "[ . 1 . 2]" 1
504 4 31 GLU QB 4 32 LEU QD . . 5.820 4.530 4.208 5.087 . 0 0 "[ . 1 . 2]" 1
505 2 34 PRO HG2 2 36 PRO QB . . 6.170 4.240 3.794 4.823 . 0 0 "[ . 1 . 2]" 1
506 4 34 PRO HG2 4 36 PRO QB . . 6.170 4.280 3.321 4.928 . 0 0 "[ . 1 . 2]" 1
507 2 34 PRO HG2 2 36 PRO QG . . 4.180 3.218 2.735 4.254 0.074 18 0 "[ . 1 . 2]" 1
508 4 34 PRO HG2 4 36 PRO QG . . 4.180 3.195 2.739 4.265 0.085 11 0 "[ . 1 . 2]" 1
509 1 21 GLU QB 2 27 LEU HG . . 6.520 5.939 4.679 6.559 0.039 10 0 "[ . 1 . 2]" 1
510 3 21 GLU QB 4 27 LEU HG . . 6.520 5.830 4.435 6.578 0.058 17 0 "[ . 1 . 2]" 1
511 2 42 ARG QD 2 45 GLN QB . . 6.180 5.377 4.493 6.247 0.067 13 0 "[ . 1 . 2]" 1
512 4 42 ARG QD 4 45 GLN QB . . 6.180 5.468 3.852 6.300 0.120 9 0 "[ . 1 . 2]" 1
513 2 29 LEU HA 2 32 LEU QB . . 4.760 3.661 2.357 4.371 . 0 0 "[ . 1 . 2]" 1
514 4 29 LEU HA 4 32 LEU QB . . 4.760 3.671 2.320 4.539 . 0 0 "[ . 1 . 2]" 1
515 1 29 MET ME 2 25 GLU QB . . 6.180 3.142 2.191 3.722 . 0 0 "[ . 1 . 2]" 1
516 3 29 MET ME 4 25 GLU QB . . 6.180 3.217 2.729 3.990 . 0 0 "[ . 1 . 2]" 1
517 1 13 ARG QG 1 17 GLU QB . . 6.890 5.327 4.113 6.841 . 0 0 "[ . 1 . 2]" 1
518 3 13 ARG QG 3 17 GLU QB . . 6.890 5.253 3.792 6.446 . 0 0 "[ . 1 . 2]" 1
519 2 18 GLU HA 2 21 MET QG . . 5.800 4.454 3.670 5.777 . 0 0 "[ . 1 . 2]" 1
520 4 18 GLU HA 4 21 MET QG . . 5.800 4.386 3.462 5.592 . 0 0 "[ . 1 . 2]" 1
521 2 15 LYS QG 2 19 ILE MD . . 6.030 3.997 3.703 4.311 . 0 0 "[ . 1 . 2]" 1
522 4 15 LYS QG 4 19 ILE MD . . 6.030 4.081 3.433 5.087 . 0 0 "[ . 1 . 2]" 1
523 2 33 VAL QG 2 34 PRO QD . . 5.630 2.267 1.880 3.019 . 0 0 "[ . 1 . 2]" 1
524 4 33 VAL QG 4 34 PRO QD . . 5.630 2.268 1.898 3.051 . 0 0 "[ . 1 . 2]" 1
525 2 30 MET HA 2 33 VAL QG . . 4.360 2.908 2.059 4.185 . 0 0 "[ . 1 . 2]" 1
526 4 30 MET HA 4 33 VAL QG . . 4.360 2.944 2.058 3.865 . 0 0 "[ . 1 . 2]" 1
527 2 44 GLN QG 2 47 LEU QD . . 6.660 3.778 2.432 5.485 . 0 0 "[ . 1 . 2]" 1
528 4 44 GLN QG 4 47 LEU QD . . 6.660 3.822 2.458 5.363 . 0 0 "[ . 1 . 2]" 1
529 2 38 VAL QG 2 42 ARG QD . . 6.820 5.296 4.334 6.149 . 0 0 "[ . 1 . 2]" 1
530 4 38 VAL QG 4 42 ARG QD . . 6.820 5.237 4.402 5.897 . 0 0 "[ . 1 . 2]" 1
531 2 33 VAL QG 2 34 PRO HB2 . . 6.470 4.854 4.511 5.539 . 0 0 "[ . 1 . 2]" 1
532 4 33 VAL QG 4 34 PRO HB2 . . 6.470 4.828 4.409 5.450 . 0 0 "[ . 1 . 2]" 1
533 2 32 LEU QD 2 34 PRO QD . . 5.720 4.457 4.117 5.087 . 0 0 "[ . 1 . 2]" 1
534 4 32 LEU QD 4 34 PRO QD . . 5.720 4.357 3.977 4.968 . 0 0 "[ . 1 . 2]" 1
535 2 32 LEU QD 2 34 PRO HB3 . . 6.680 6.760 6.435 6.800 0.120 10 0 "[ . 1 . 2]" 1
536 4 32 LEU QD 4 34 PRO HB3 . . 6.680 6.716 6.154 6.796 0.116 10 0 "[ . 1 . 2]" 1
537 2 44 GLN QB 2 48 LEU QD . . 6.860 6.279 5.376 6.856 . 0 0 "[ . 1 . 2]" 1
538 4 44 GLN QB 4 48 LEU QD . . 6.860 6.275 5.268 6.949 0.089 4 0 "[ . 1 . 2]" 1
539 2 44 GLN QG 2 48 LEU QD . . 6.670 5.612 4.591 6.462 . 0 0 "[ . 1 . 2]" 1
540 4 44 GLN QG 4 48 LEU QD . . 6.670 5.587 4.774 6.377 . 0 0 "[ . 1 . 2]" 1
541 2 6 THR MG 4 12 ARG QD . . 5.280 4.452 3.090 5.355 0.075 7 0 "[ . 1 . 2]" 1
542 2 12 ARG QD 4 6 THR MG . . 5.280 4.523 2.177 5.354 0.074 7 0 "[ . 1 . 2]" 1
543 2 15 LYS HG2 2 19 ILE MD . . 5.870 4.340 3.887 5.159 . 0 0 "[ . 1 . 2]" 1
544 4 15 LYS HG2 4 19 ILE MD . . 5.870 4.451 3.525 5.420 . 0 0 "[ . 1 . 2]" 1
545 1 5 LEU MD1 2 48 LEU HG . . 6.290 6.053 4.981 6.386 0.096 14 0 "[ . 1 . 2]" 1
546 3 5 LEU MD1 4 48 LEU HG . . 6.290 6.080 5.169 6.391 0.101 16 0 "[ . 1 . 2]" 1
547 2 20 LEU HA 2 23 LEU HG . . 4.820 4.017 3.271 4.874 0.054 7 0 "[ . 1 . 2]" 1
548 4 20 LEU HA 4 23 LEU HG . . 4.820 3.941 3.181 4.591 . 0 0 "[ . 1 . 2]" 1
549 2 30 MET HA 2 31 GLU HA . . 5.150 4.788 4.684 4.911 . 0 0 "[ . 1 . 2]" 1
550 4 30 MET HA 4 31 GLU HA . . 5.150 4.780 4.697 4.895 . 0 0 "[ . 1 . 2]" 1
551 2 46 GLN HA 2 47 LEU HA . . 5.390 4.842 4.735 4.893 . 0 0 "[ . 1 . 2]" 1
552 4 46 GLN HA 4 47 LEU HA . . 5.390 4.857 4.737 4.925 . 0 0 "[ . 1 . 2]" 1
553 2 10 GLN HB3 2 11 VAL H . . 5.820 4.341 3.697 4.600 . 0 0 "[ . 1 . 2]" 1
554 4 10 GLN HB3 4 11 VAL H . . 5.820 4.328 3.707 4.708 . 0 0 "[ . 1 . 2]" 1
555 2 10 GLN HB2 2 11 VAL H . . 5.840 4.385 3.908 4.710 . 0 0 "[ . 1 . 2]" 1
556 4 10 GLN HB2 4 11 VAL H . . 5.840 4.336 3.539 4.632 . 0 0 "[ . 1 . 2]" 1
557 2 9 LEU QD 2 10 GLN H . . 6.240 3.009 1.763 3.995 . 0 0 "[ . 1 . 2]" 1
558 4 9 LEU QD 4 10 GLN H . . 6.240 3.060 1.767 4.230 . 0 0 "[ . 1 . 2]" 1
559 2 23 LEU HB2 2 24 LYS H . . 5.800 2.866 2.534 3.169 . 0 0 "[ . 1 . 2]" 1
560 4 23 LEU HB2 4 24 LYS H . . 5.800 2.806 2.394 3.110 . 0 0 "[ . 1 . 2]" 1
561 2 23 LEU HG 2 24 LYS H . . 5.540 4.630 4.399 4.949 . 0 0 "[ . 1 . 2]" 1
562 4 23 LEU HG 4 24 LYS H . . 5.540 4.583 4.316 4.849 . 0 0 "[ . 1 . 2]" 1
563 2 24 LYS H 4 9 LEU QD . . 6.930 4.878 4.446 5.620 . 0 0 "[ . 1 . 2]" 1
564 2 9 LEU QD 4 24 LYS H . . 6.930 4.840 4.319 5.497 . 0 0 "[ . 1 . 2]" 1
565 2 12 ARG HB2 2 13 GLY H . . 5.850 4.050 3.721 4.639 . 0 0 "[ . 1 . 2]" 1
566 4 12 ARG HB2 4 13 GLY H . . 5.850 4.005 3.591 4.645 . 0 0 "[ . 1 . 2]" 1
567 1 6 LEU H 3 11 ARG QG . . 6.420 4.833 2.520 5.472 . 0 0 "[ . 1 . 2]" 1
568 1 11 ARG QG 3 6 LEU H . . 6.420 4.732 2.665 5.368 . 0 0 "[ . 1 . 2]" 1
569 1 13 ARG QB 1 17 GLU H . . 6.110 5.333 4.972 5.620 . 0 0 "[ . 1 . 2]" 1
570 3 13 ARG QB 3 17 GLU H . . 6.110 5.230 4.734 5.603 . 0 0 "[ . 1 . 2]" 1
571 2 9 LEU MD1 4 21 MET H . . 5.680 4.740 4.003 5.751 0.071 19 0 "[ . 1 . 2]" 1
572 2 21 MET H 4 9 LEU MD1 . . 5.680 4.769 3.979 5.777 0.097 2 0 "[ . 1 . 2]" 1
573 2 21 MET H 4 9 LEU QD . . 5.760 4.273 3.669 5.197 . 0 0 "[ . 1 . 2]" 1
574 2 9 LEU QD 4 21 MET H . . 5.760 4.219 3.804 5.071 . 0 0 "[ . 1 . 2]" 1
575 2 14 ARG HB3 2 15 LYS H . . 5.930 2.285 2.171 2.612 . 0 0 "[ . 1 . 2]" 1
576 4 14 ARG HB3 4 15 LYS H . . 5.930 2.293 2.148 2.425 . 0 0 "[ . 1 . 2]" 1
577 2 27 LEU H 2 27 LEU HG . . 5.210 4.320 3.969 4.660 . 0 0 "[ . 1 . 2]" 1
578 4 27 LEU H 4 27 LEU HG . . 5.210 4.282 3.995 4.616 . 0 0 "[ . 1 . 2]" 1
579 2 18 GLU H 2 18 GLU HG2 . . 4.830 3.357 2.088 4.474 . 0 0 "[ . 1 . 2]" 1
580 4 18 GLU H 4 18 GLU HG2 . . 4.830 3.348 2.202 4.457 . 0 0 "[ . 1 . 2]" 1
581 2 29 LEU H 2 29 LEU MD1 . . 5.280 3.602 2.376 4.330 . 0 0 "[ . 1 . 2]" 1
582 4 29 LEU H 4 29 LEU MD1 . . 5.280 3.606 2.349 4.308 . 0 0 "[ . 1 . 2]" 1
583 2 43 GLN H 2 43 GLN QG . . 4.870 2.828 2.200 3.894 . 0 0 "[ . 1 . 2]" 1
584 4 43 GLN H 4 43 GLN QG . . 4.870 2.848 2.226 3.995 . 0 0 "[ . 1 . 2]" 1
585 2 43 GLN H 2 43 GLN HG3 . . 5.230 3.096 2.226 4.335 . 0 0 "[ . 1 . 2]" 1
586 4 43 GLN H 4 43 GLN HG3 . . 5.230 3.095 2.267 4.463 . 0 0 "[ . 1 . 2]" 1
587 2 31 GLU QG 2 32 LEU H . . 5.350 4.042 3.534 4.474 . 0 0 "[ . 1 . 2]" 1
588 4 31 GLU QG 4 32 LEU H . . 5.350 4.001 3.632 4.523 . 0 0 "[ . 1 . 2]" 1
589 1 51 LEU HG 1 52 LEU H . . 5.570 4.661 3.418 5.475 . 0 0 "[ . 1 . 2]" 1
590 3 51 LEU HG 3 52 LEU H . . 5.570 4.660 3.580 5.529 . 0 0 "[ . 1 . 2]" 1
591 1 10 VAL QG 1 15 THR H . . 5.730 5.290 5.022 5.638 . 0 0 "[ . 1 . 2]" 1
592 3 10 VAL QG 3 15 THR H . . 5.730 5.347 5.109 5.828 0.098 14 0 "[ . 1 . 2]" 1
593 2 19 ILE MG 2 20 LEU H . . 4.770 3.039 2.760 3.422 . 0 0 "[ . 1 . 2]" 1
594 4 19 ILE MG 4 20 LEU H . . 4.770 3.066 2.807 3.589 . 0 0 "[ . 1 . 2]" 1
595 2 49 GLN QG 2 50 ARG H . . 6.750 3.641 1.848 4.859 . 0 0 "[ . 1 . 2]" 1
596 4 49 GLN QG 4 50 ARG H . . 6.750 3.646 1.688 4.954 . 0 0 "[ . 1 . 2]" 1
597 2 20 LEU H 2 20 LEU HG . . 5.170 3.045 2.348 4.145 . 0 0 "[ . 1 . 2]" 1
598 4 20 LEU H 4 20 LEU HG . . 5.170 3.099 2.326 4.118 . 0 0 "[ . 1 . 2]" 1
599 2 42 ARG HA 2 45 GLN H . . 6.570 3.795 3.391 4.100 . 0 0 "[ . 1 . 2]" 1
600 4 42 ARG HA 4 45 GLN H . . 6.570 3.783 3.454 4.196 . 0 0 "[ . 1 . 2]" 1
601 2 45 GLN H 2 45 GLN QG . . 4.480 3.946 3.728 4.047 . 0 0 "[ . 1 . 2]" 1
602 4 45 GLN H 4 45 GLN QG . . 4.480 3.927 3.568 4.152 . 0 0 "[ . 1 . 2]" 1
603 2 43 GLN HB2 2 44 GLN H . . 5.310 2.832 2.354 3.759 . 0 0 "[ . 1 . 2]" 1
604 4 43 GLN HB2 4 44 GLN H . . 5.310 2.908 2.331 3.865 . 0 0 "[ . 1 . 2]" 1
605 2 46 GLN H 2 46 GLN QG . . 4.590 3.829 2.538 4.097 . 0 0 "[ . 1 . 2]" 1
606 4 46 GLN H 4 46 GLN QG . . 4.590 3.806 2.613 4.064 . 0 0 "[ . 1 . 2]" 1
607 2 30 MET H 2 30 MET HG3 . . 5.000 4.346 2.708 4.576 . 0 0 "[ . 1 . 2]" 1
608 4 30 MET H 4 30 MET HG3 . . 5.000 4.323 2.339 4.551 . 0 0 "[ . 1 . 2]" 1
609 2 22 LYS QD 2 23 LEU H . . 5.820 4.339 3.865 5.045 . 0 0 "[ . 1 . 2]" 1
610 4 22 LYS QD 4 23 LEU H . . 5.820 4.420 3.962 5.193 . 0 0 "[ . 1 . 2]" 1
611 2 19 ILE H 2 19 ILE MD . . 5.720 3.394 3.265 3.454 . 0 0 "[ . 1 . 2]" 1
612 4 19 ILE H 4 19 ILE MD . . 5.720 3.406 3.288 3.674 . 0 0 "[ . 1 . 2]" 1
613 2 48 LEU HB2 2 49 GLN H . . 5.740 3.980 3.430 4.386 . 0 0 "[ . 1 . 2]" 1
614 4 48 LEU HB2 4 49 GLN H . . 5.740 4.025 3.680 4.317 . 0 0 "[ . 1 . 2]" 1
615 2 19 ILE H 2 19 ILE QG . . 4.970 2.224 1.986 2.548 . 0 0 "[ . 1 . 2]" 1
616 4 19 ILE H 4 19 ILE QG . . 4.970 2.233 2.133 2.495 . 0 0 "[ . 1 . 2]" 1
617 2 16 ASN H 4 27 LEU HG . . 6.730 5.463 4.053 6.049 . 0 0 "[ . 1 . 2]" 1
618 2 27 LEU HG 4 16 ASN H . . 6.730 5.468 4.140 6.188 . 0 0 "[ . 1 . 2]" 1
619 2 15 LYS HB2 2 16 ASN H . . 5.540 2.541 2.157 3.192 . 0 0 "[ . 1 . 2]" 1
620 4 15 LYS HB2 4 16 ASN H . . 5.540 2.582 2.194 3.296 . 0 0 "[ . 1 . 2]" 1
621 2 15 LYS QB 2 16 ASN H . . 5.740 2.448 2.127 2.690 . 0 0 "[ . 1 . 2]" 1
622 4 15 LYS QB 4 16 ASN H . . 5.740 2.478 2.172 2.726 . 0 0 "[ . 1 . 2]" 1
623 2 46 GLN QG 2 47 LEU H . . 5.060 3.997 3.692 4.482 . 0 0 "[ . 1 . 2]" 1
624 4 46 GLN QG 4 47 LEU H . . 5.060 4.018 3.627 4.436 . 0 0 "[ . 1 . 2]" 1
625 2 46 GLN QB 2 47 LEU H . . 4.810 2.847 2.594 3.133 . 0 0 "[ . 1 . 2]" 1
626 4 46 GLN QB 4 47 LEU H . . 4.810 2.814 2.540 3.039 . 0 0 "[ . 1 . 2]" 1
627 2 47 LEU H 2 47 LEU HG . . 4.400 2.731 2.128 4.361 . 0 0 "[ . 1 . 2]" 1
628 4 47 LEU H 4 47 LEU HG . . 4.400 2.830 2.127 4.361 . 0 0 "[ . 1 . 2]" 1
629 2 42 ARG HE 2 43 GLN QG . . 6.450 4.422 2.395 5.858 . 0 0 "[ . 1 . 2]" 1
630 4 42 ARG HE 4 43 GLN QG . . 6.450 4.605 2.352 5.853 . 0 0 "[ . 1 . 2]" 1
631 2 22 LYS H 2 22 LYS QD . . 5.560 4.468 3.717 4.978 . 0 0 "[ . 1 . 2]" 1
632 4 22 LYS H 4 22 LYS QD . . 5.560 4.516 3.617 5.020 . 0 0 "[ . 1 . 2]" 1
633 2 37 LEU H 2 37 LEU MD1 . . 5.690 4.211 3.812 4.403 . 0 0 "[ . 1 . 2]" 1
634 4 37 LEU H 4 37 LEU MD1 . . 5.690 4.229 3.834 4.417 . 0 0 "[ . 1 . 2]" 1
635 1 34 GLN QB 1 37 ILE H . . 6.800 3.955 2.318 5.348 . 0 0 "[ . 1 . 2]" 1
636 3 34 GLN QB 3 37 ILE H . . 6.800 3.933 2.508 5.734 . 0 0 "[ . 1 . 2]" 1
637 2 37 LEU H 2 37 LEU HG . . 5.160 4.291 2.646 4.609 . 0 0 "[ . 1 . 2]" 1
638 4 37 LEU H 4 37 LEU HG . . 5.160 4.332 2.422 4.638 . 0 0 "[ . 1 . 2]" 1
639 2 17 PHE QE 4 9 LEU QD . . 5.530 2.387 1.980 3.101 . 0 0 "[ . 1 . 2]" 1
640 2 9 LEU QD 4 17 PHE QE . . 5.530 2.385 2.020 2.997 . 0 0 "[ . 1 . 2]" 1
641 2 17 PHE QE 4 9 LEU MD1 . . 5.370 2.932 2.274 4.165 . 0 0 "[ . 1 . 2]" 1
642 2 9 LEU MD1 4 17 PHE QE . . 5.370 2.938 2.336 4.129 . 0 0 "[ . 1 . 2]" 1
643 2 41 TYR QD 2 42 ARG QB . . 6.710 4.476 3.570 5.254 . 0 0 "[ . 1 . 2]" 1
644 4 41 TYR QD 4 42 ARG QB . . 6.710 4.599 3.403 5.290 . 0 0 "[ . 1 . 2]" 1
645 1 7 TYR QD 2 48 LEU QD . . 6.330 6.151 5.391 6.450 0.120 19 0 "[ . 1 . 2]" 1
646 3 7 TYR QD 4 48 LEU QD . . 6.330 6.256 5.850 6.472 0.142 19 0 "[ . 1 . 2]" 1
647 2 41 TYR QE 2 45 GLN QG . . 5.620 3.388 2.367 5.136 . 0 0 "[ . 1 . 2]" 1
648 4 41 TYR QE 4 45 GLN QG . . 5.620 3.165 2.398 4.151 . 0 0 "[ . 1 . 2]" 1
649 2 17 PHE QD 2 21 MET HB3 . . 6.470 5.270 4.041 5.997 . 0 0 "[ . 1 . 2]" 1
650 4 17 PHE QD 4 21 MET HB3 . . 6.470 5.276 4.022 5.937 . 0 0 "[ . 1 . 2]" 1
651 2 14 ARG QD 2 17 PHE QD . . 5.780 5.186 3.546 5.861 0.081 4 0 "[ . 1 . 2]" 1
652 4 14 ARG QD 4 17 PHE QD . . 5.780 5.000 4.265 5.862 0.082 11 0 "[ . 1 . 2]" 1
653 2 17 PHE QD 2 18 GLU QG . . 6.020 4.118 3.260 5.451 . 0 0 "[ . 1 . 2]" 1
654 4 17 PHE QD 4 18 GLU QG . . 6.020 4.025 3.037 5.111 . 0 0 "[ . 1 . 2]" 1
655 2 17 PHE QD 2 18 GLU HG2 . . 5.930 4.542 3.312 5.995 0.065 4 0 "[ . 1 . 2]" 1
656 4 17 PHE QD 4 18 GLU HG2 . . 5.930 4.449 3.178 6.001 0.071 7 0 "[ . 1 . 2]" 1
657 2 17 PHE QD 4 9 LEU QD . . 6.760 3.178 2.172 4.361 . 0 0 "[ . 1 . 2]" 1
658 2 9 LEU QD 4 17 PHE QD . . 6.760 3.037 2.238 3.999 . 0 0 "[ . 1 . 2]" 1
659 2 17 PHE QD 4 9 LEU MD1 . . 6.570 3.479 2.207 5.501 . 0 0 "[ . 1 . 2]" 1
660 2 9 LEU MD1 4 17 PHE QD . . 6.570 3.333 2.281 5.231 . 0 0 "[ . 1 . 2]" 1
661 2 5 ASP QB 2 7 TYR QE . . 6.670 5.156 3.650 6.539 . 0 0 "[ . 1 . 2]" 1
662 4 5 ASP QB 4 7 TYR QE . . 6.670 5.211 3.975 6.705 0.035 3 0 "[ . 1 . 2]" 1
663 2 37 LEU HA 2 40 SER H . . 5.330 3.461 3.053 3.746 . 0 0 "[ . 1 . 2]" 1
664 4 37 LEU HA 4 40 SER H . . 5.330 3.438 3.211 3.676 . 0 0 "[ . 1 . 2]" 1
665 2 10 GLN HA 4 8 TYR HA . . 4.900 2.656 2.442 2.888 . 0 0 "[ . 1 . 2]" 1
666 2 8 TYR HA 4 10 GLN HA . . 4.900 2.643 2.328 2.998 . 0 0 "[ . 1 . 2]" 1
667 2 27 LEU QD 2 30 MET QG . . 6.450 3.615 2.200 4.596 . 0 0 "[ . 1 . 2]" 1
668 4 27 LEU QD 4 30 MET QG . . 6.450 3.713 2.447 4.480 . 0 0 "[ . 1 . 2]" 1
669 2 11 VAL MG2 2 12 ARG H . . 4.920 4.038 3.846 4.178 . 0 0 "[ . 1 . 2]" 1
670 4 11 VAL MG2 4 12 ARG H . . 4.920 4.037 3.762 4.278 . 0 0 "[ . 1 . 2]" 1
671 2 11 VAL H 2 11 VAL MG2 . . 4.700 2.834 2.352 3.413 . 0 0 "[ . 1 . 2]" 1
672 4 11 VAL H 4 11 VAL MG2 . . 4.700 2.825 2.284 3.402 . 0 0 "[ . 1 . 2]" 1
673 2 11 VAL MG2 4 24 LYS QG . . 6.160 2.415 2.149 2.912 . 0 0 "[ . 1 . 2]" 1
674 2 24 LYS QG 4 11 VAL MG2 . . 6.160 2.376 2.075 2.961 . 0 0 "[ . 1 . 2]" 1
675 2 20 LEU HG 4 24 LYS HA . . 4.840 4.722 3.660 4.925 0.085 1 0 "[ . 1 . 2]" 1
676 2 24 LYS HA 4 20 LEU HG . . 4.840 4.780 3.716 4.924 0.084 3 0 "[ . 1 . 2]" 1
677 2 15 LYS HA 2 18 GLU HG3 . . 5.600 4.050 2.479 5.485 . 0 0 "[ . 1 . 2]" 1
678 4 15 LYS HA 4 18 GLU HG3 . . 5.600 4.020 2.619 5.330 . 0 0 "[ . 1 . 2]" 1
679 2 15 LYS HA 2 18 GLU QG . . 5.880 3.847 2.447 4.915 . 0 0 "[ . 1 . 2]" 1
680 4 15 LYS HA 4 18 GLU QG . . 5.880 3.819 2.590 4.910 . 0 0 "[ . 1 . 2]" 1
681 1 40 TYR QE 2 25 GLU HA . . 5.640 4.727 2.426 5.735 0.095 10 0 "[ . 1 . 2]" 1
682 3 40 TYR QE 4 25 GLU HA . . 5.640 5.163 2.895 5.741 0.101 9 0 "[ . 1 . 2]" 1
683 1 17 GLU QB 1 18 MET HA . . 5.930 3.839 3.718 4.044 . 0 0 "[ . 1 . 2]" 1
684 3 17 GLU QB 3 18 MET HA . . 5.930 3.844 3.639 4.087 . 0 0 "[ . 1 . 2]" 1
685 2 44 GLN HA 2 47 LEU H . . 5.600 3.740 3.396 4.066 . 0 0 "[ . 1 . 2]" 1
686 4 44 GLN HA 4 47 LEU H . . 5.600 3.789 3.543 4.106 . 0 0 "[ . 1 . 2]" 1
687 2 31 GLU HA 2 32 LEU QB . . 6.230 5.297 5.118 5.406 . 0 0 "[ . 1 . 2]" 1
688 4 31 GLU HA 4 32 LEU QB . . 6.230 5.288 5.124 5.391 . 0 0 "[ . 1 . 2]" 1
689 2 38 VAL QG 2 39 ASP HA . . 5.280 3.652 3.112 4.050 . 0 0 "[ . 1 . 2]" 1
690 4 38 VAL QG 4 39 ASP HA . . 5.280 3.683 3.303 4.047 . 0 0 "[ . 1 . 2]" 1
691 2 27 LEU QD 2 31 GLU HA . . 6.820 4.773 3.820 5.446 . 0 0 "[ . 1 . 2]" 1
692 4 27 LEU QD 4 31 GLU HA . . 6.820 4.870 3.666 5.995 . 0 0 "[ . 1 . 2]" 1
693 2 11 VAL H 4 6 THR MG . . 4.940 2.926 2.462 3.419 . 0 0 "[ . 1 . 2]" 1
694 2 6 THR MG 4 11 VAL H . . 4.940 2.931 2.545 3.668 . 0 0 "[ . 1 . 2]" 1
695 2 6 THR MG 2 7 TYR H . . 4.300 2.405 2.026 2.794 . 0 0 "[ . 1 . 2]" 1
696 4 6 THR MG 4 7 TYR H . . 4.300 2.381 1.935 2.732 . 0 0 "[ . 1 . 2]" 1
697 2 13 GLY H 4 6 THR MG . . 5.790 5.270 4.757 5.861 0.071 7 0 "[ . 1 . 2]" 1
698 2 6 THR MG 4 13 GLY H . . 5.790 5.356 5.028 5.868 0.078 6 0 "[ . 1 . 2]" 1
699 2 10 GLN QE 4 6 THR MG . . 5.830 4.046 2.003 5.592 . 0 0 "[ . 1 . 2]" 1
700 2 6 THR MG 4 10 GLN QE . . 5.830 4.233 1.833 5.546 . 0 0 "[ . 1 . 2]" 1
701 2 10 GLN HE21 4 6 THR MG . . 5.740 4.281 2.015 5.838 0.098 20 0 "[ . 1 . 2]" 1
702 2 6 THR MG 4 10 GLN HE21 . . 5.740 4.476 1.845 5.835 0.095 2 0 "[ . 1 . 2]" 1
703 2 16 ASN QD 4 27 LEU QD . . 5.450 3.091 1.865 3.979 . 0 0 "[ . 1 . 2]" 1
704 2 27 LEU QD 4 16 ASN QD . . 5.450 2.991 1.686 3.977 . 0 0 "[ . 1 . 2]" 1
705 2 10 GLN HA 4 6 THR MG . . 5.600 3.452 3.027 4.291 . 0 0 "[ . 1 . 2]" 1
706 2 6 THR MG 4 10 GLN HA . . 5.600 3.410 2.870 4.395 . 0 0 "[ . 1 . 2]" 1
707 2 12 ARG HA 4 6 THR MG . . 5.070 3.510 2.987 4.168 . 0 0 "[ . 1 . 2]" 1
708 2 6 THR MG 4 12 ARG HA . . 5.070 3.593 3.103 4.212 . 0 0 "[ . 1 . 2]" 1
709 2 6 THR MG 2 7 TYR HA . . 5.560 4.219 3.831 5.024 . 0 0 "[ . 1 . 2]" 1
710 4 6 THR MG 4 7 TYR HA . . 5.560 4.210 3.732 5.046 . 0 0 "[ . 1 . 2]" 1
711 2 10 GLN QG 4 6 THR MG . . 5.030 3.240 1.877 4.999 . 0 0 "[ . 1 . 2]" 1
712 2 6 THR MG 4 10 GLN QG . . 5.030 3.176 1.972 5.099 0.069 16 0 "[ . 1 . 2]" 1
713 2 11 VAL QG 2 12 ARG H . . 5.010 2.809 2.136 3.463 . 0 0 "[ . 1 . 2]" 1
714 4 11 VAL QG 4 12 ARG H . . 5.010 2.782 2.148 3.381 . 0 0 "[ . 1 . 2]" 1
715 1 10 VAL QG 1 12 GLY H . . 5.820 3.501 3.167 3.924 . 0 0 "[ . 1 . 2]" 1
716 3 10 VAL QG 3 12 GLY H . . 5.820 3.597 3.094 3.985 . 0 0 "[ . 1 . 2]" 1
717 2 38 VAL H 2 38 VAL QG . . 3.870 1.910 1.761 2.666 . 0 0 "[ . 1 . 2]" 1
718 4 38 VAL H 4 38 VAL QG . . 3.870 1.893 1.776 2.532 . 0 0 "[ . 1 . 2]" 1
719 2 11 VAL MG2 2 17 PHE QD . . 6.720 5.204 2.657 6.822 0.102 12 0 "[ . 1 . 2]" 1
720 4 11 VAL MG2 4 17 PHE QD . . 6.720 5.387 3.958 6.819 0.099 10 0 "[ . 1 . 2]" 1
721 2 11 VAL QG 4 24 LYS QG . . 6.110 2.228 1.982 2.468 . 0 0 "[ . 1 . 2]" 1
722 2 24 LYS QG 4 11 VAL QG . . 6.110 2.210 1.955 2.486 . 0 0 "[ . 1 . 2]" 1
723 2 47 LEU HA 2 49 GLN H . . 5.460 3.813 3.368 4.511 . 0 0 "[ . 1 . 2]" 1
724 4 47 LEU HA 4 49 GLN H . . 5.460 3.845 3.330 4.646 . 0 0 "[ . 1 . 2]" 1
725 2 33 VAL QG 2 34 PRO HD2 . . 5.310 2.326 1.905 3.155 . 0 0 "[ . 1 . 2]" 1
726 4 33 VAL QG 4 34 PRO HD2 . . 5.310 2.328 1.920 3.196 . 0 0 "[ . 1 . 2]" 1
727 2 32 LEU QD 2 34 PRO HD2 . . 6.370 5.150 4.712 6.158 . 0 0 "[ . 1 . 2]" 1
728 4 32 LEU QD 4 34 PRO HD2 . . 6.370 5.014 4.628 5.951 . 0 0 "[ . 1 . 2]" 1
729 1 12 GLY QA 3 3 ASP HA . . 6.860 5.523 4.255 6.908 0.048 11 0 "[ . 1 . 2]" 1
730 1 3 ASP HA 3 12 GLY QA . . 6.860 5.539 3.437 6.948 0.088 14 0 "[ . 1 . 2]" 1
731 2 17 PHE HB2 2 18 GLU H . . 6.200 3.970 3.818 4.122 . 0 0 "[ . 1 . 2]" 1
732 4 17 PHE HB2 4 18 GLU H . . 6.200 3.969 3.842 4.100 . 0 0 "[ . 1 . 2]" 1
733 1 40 TYR HB3 2 29 LEU MD2 . . 6.190 3.167 2.103 4.635 . 0 0 "[ . 1 . 2]" 1
734 3 40 TYR HB3 4 29 LEU MD2 . . 6.190 3.178 2.118 5.060 . 0 0 "[ . 1 . 2]" 1
735 2 34 PRO HA 2 35 GLN QB . . 6.840 4.294 4.002 4.726 . 0 0 "[ . 1 . 2]" 1
736 4 34 PRO HA 4 35 GLN QB . . 6.840 4.218 3.912 4.529 . 0 0 "[ . 1 . 2]" 1
737 2 48 LEU HA 2 48 LEU QD . . 3.700 2.588 2.102 3.113 . 0 0 "[ . 1 . 2]" 1
738 4 48 LEU HA 4 48 LEU QD . . 3.700 2.520 2.096 3.069 . 0 0 "[ . 1 . 2]" 1
739 2 9 LEU HA 2 10 GLN HA . . 4.930 4.533 4.469 4.593 . 0 0 "[ . 1 . 2]" 1
740 4 9 LEU HA 4 10 GLN HA . . 4.930 4.528 4.479 4.579 . 0 0 "[ . 1 . 2]" 1
741 1 20 LEU QD 1 23 LYS QE . . 5.350 3.794 2.037 5.479 0.129 17 0 "[ . 1 . 2]" 1
742 3 20 LEU QD 3 23 LYS QE . . 5.350 3.694 2.134 5.103 . 0 0 "[ . 1 . 2]" 1
743 2 19 ILE MG 2 22 LYS QE . . 6.090 4.873 3.153 5.852 . 0 0 "[ . 1 . 2]" 1
744 4 19 ILE MG 4 22 LYS QE . . 6.090 5.014 3.382 6.155 0.065 16 0 "[ . 1 . 2]" 1
745 2 34 PRO HG2 2 36 PRO HA . . 6.100 5.523 4.470 6.143 0.043 17 0 "[ . 1 . 2]" 1
746 4 34 PRO HG2 4 36 PRO HA . . 6.100 5.586 4.170 6.167 0.067 2 0 "[ . 1 . 2]" 1
747 2 8 TYR HA 2 9 LEU HB2 . . 6.860 4.315 3.946 4.593 . 0 0 "[ . 1 . 2]" 1
748 4 8 TYR HA 4 9 LEU HB2 . . 6.860 4.361 4.041 4.642 . 0 0 "[ . 1 . 2]" 1
749 2 17 PHE QE 4 9 LEU HA . . 5.210 4.354 4.056 4.632 . 0 0 "[ . 1 . 2]" 1
750 2 9 LEU HA 4 17 PHE QE . . 5.210 4.340 4.020 4.824 . 0 0 "[ . 1 . 2]" 1
751 2 8 TYR HA 2 9 LEU HA . . 6.650 4.547 4.466 4.625 . 0 0 "[ . 1 . 2]" 1
752 4 8 TYR HA 4 9 LEU HA . . 6.650 4.549 4.484 4.605 . 0 0 "[ . 1 . 2]" 1
753 2 9 LEU HA 2 10 GLN HB3 . . 6.780 4.757 4.118 5.708 . 0 0 "[ . 1 . 2]" 1
754 4 9 LEU HA 4 10 GLN HB3 . . 6.780 4.753 3.978 5.775 . 0 0 "[ . 1 . 2]" 1
755 2 9 LEU HA 2 10 GLN QB . . 6.740 4.143 3.734 4.655 . 0 0 "[ . 1 . 2]" 1
756 4 9 LEU HA 4 10 GLN QB . . 6.740 4.187 3.649 4.636 . 0 0 "[ . 1 . 2]" 1
757 2 6 THR HB 4 10 GLN QG . . 6.290 4.824 2.208 6.374 0.084 16 0 "[ . 1 . 2]" 1
758 2 10 GLN QG 4 6 THR HB . . 6.290 4.950 3.112 6.381 0.091 2 0 "[ . 1 . 2]" 1
759 2 8 TYR HA 4 10 GLN QG . . 6.380 4.266 2.927 5.817 . 0 0 "[ . 1 . 2]" 1
760 2 10 GLN QG 4 8 TYR HA . . 6.380 4.220 2.887 5.918 . 0 0 "[ . 1 . 2]" 1
761 2 11 VAL HB 2 17 PHE QB . . 6.850 5.796 5.014 6.553 . 0 0 "[ . 1 . 2]" 1
762 4 11 VAL HB 4 17 PHE QB . . 6.850 5.801 5.173 6.351 . 0 0 "[ . 1 . 2]" 1
763 2 11 VAL HB 2 17 PHE QD . . 6.860 5.996 4.749 6.939 0.079 5 0 "[ . 1 . 2]" 1
764 4 11 VAL HB 4 17 PHE QD . . 6.860 6.181 5.182 6.947 0.087 5 0 "[ . 1 . 2]" 1
765 2 7 TYR QD 4 11 VAL HB . . 6.410 5.740 4.864 6.492 0.082 14 0 "[ . 1 . 2]" 1
766 2 11 VAL HB 4 7 TYR QD . . 6.410 5.750 4.904 6.193 . 0 0 "[ . 1 . 2]" 1
767 2 11 VAL HB 2 13 GLY QA . . 6.670 4.772 4.438 5.341 . 0 0 "[ . 1 . 2]" 1
768 4 11 VAL HB 4 13 GLY QA . . 6.670 4.886 4.150 5.800 . 0 0 "[ . 1 . 2]" 1
769 1 26 LEU HG 2 23 LEU HA . . 6.540 4.240 2.937 5.704 . 0 0 "[ . 1 . 2]" 1
770 3 26 LEU HG 4 23 LEU HA . . 6.540 4.066 3.088 5.708 . 0 0 "[ . 1 . 2]" 1
771 2 20 LEU H 2 23 LEU HG . . 6.220 5.357 4.679 6.290 0.070 10 0 "[ . 1 . 2]" 1
772 4 20 LEU H 4 23 LEU HG . . 6.220 5.270 4.691 5.950 . 0 0 "[ . 1 . 2]" 1
773 2 23 LEU QD 2 27 LEU H . . 6.840 4.878 4.094 5.313 . 0 0 "[ . 1 . 2]" 1
774 4 23 LEU QD 4 27 LEU H . . 6.840 4.853 4.565 5.163 . 0 0 "[ . 1 . 2]" 1
775 2 23 LEU QD 2 24 LYS H . . 6.540 4.241 4.092 4.417 . 0 0 "[ . 1 . 2]" 1
776 4 23 LEU QD 4 24 LYS H . . 6.540 4.212 4.004 4.384 . 0 0 "[ . 1 . 2]" 1
777 2 27 LEU HG 2 28 GLU H . . 6.140 5.211 4.488 5.576 . 0 0 "[ . 1 . 2]" 1
778 4 27 LEU HG 4 28 GLU H . . 6.140 5.245 4.569 5.588 . 0 0 "[ . 1 . 2]" 1
779 2 11 VAL HA 4 24 LYS HG3 . . 6.390 6.321 5.872 6.469 0.079 9 0 "[ . 1 . 2]" 1
780 2 24 LYS HG3 4 11 VAL HA . . 6.390 6.329 6.004 6.468 0.078 7 0 "[ . 1 . 2]" 1
781 2 11 VAL HA 4 24 LYS HG2 . . 6.450 6.250 5.816 6.522 0.072 7 0 "[ . 1 . 2]" 1
782 2 24 LYS HG2 4 11 VAL HA . . 6.450 6.248 5.849 6.520 0.070 6 0 "[ . 1 . 2]" 1
783 2 20 LEU H 4 9 LEU QD . . 6.920 5.512 4.743 6.333 . 0 0 "[ . 1 . 2]" 1
784 2 9 LEU QD 4 20 LEU H . . 6.920 5.412 4.792 6.328 . 0 0 "[ . 1 . 2]" 1
785 2 21 MET HA 4 9 LEU MD2 . . 5.120 3.793 2.824 4.766 . 0 0 "[ . 1 . 2]" 1
786 2 9 LEU MD2 4 21 MET HA . . 5.120 3.663 2.923 4.956 . 0 0 "[ . 1 . 2]" 1
787 2 16 ASN HA 4 27 LEU HG . . 5.240 4.088 3.175 4.779 . 0 0 "[ . 1 . 2]" 1
788 2 27 LEU HG 4 16 ASN HA . . 5.240 4.084 3.321 4.628 . 0 0 "[ . 1 . 2]" 1
789 2 13 GLY H 4 7 TYR QE . . 5.080 3.669 2.154 4.483 . 0 0 "[ . 1 . 2]" 1
790 2 7 TYR QE 4 13 GLY H . . 5.080 3.626 2.439 4.574 . 0 0 "[ . 1 . 2]" 1
791 2 14 ARG QD 4 7 TYR QE . . 5.670 3.378 2.425 4.996 . 0 0 "[ . 1 . 2]" 1
792 2 7 TYR QE 4 14 ARG QD . . 5.670 3.234 2.716 4.211 . 0 0 "[ . 1 . 2]" 1
793 2 7 TYR QE 4 12 ARG QB . . 6.800 4.845 3.179 5.951 . 0 0 "[ . 1 . 2]" 1
794 2 12 ARG QB 4 7 TYR QE . . 6.800 5.117 3.056 6.847 0.047 3 0 "[ . 1 . 2]" 1
795 2 7 TYR HA 2 8 TYR QE . . 5.740 4.568 3.807 5.802 0.062 19 0 "[ . 1 . 2]" 1
796 4 7 TYR HA 4 8 TYR QE . . 5.740 4.504 3.886 5.181 . 0 0 "[ . 1 . 2]" 1
797 2 6 THR HB 2 8 TYR QE . . 6.300 2.790 2.252 3.429 . 0 0 "[ . 1 . 2]" 1
798 4 6 THR HB 4 8 TYR QE . . 6.300 2.920 2.100 3.743 . 0 0 "[ . 1 . 2]" 1
799 2 10 GLN QG 4 8 TYR QE . . 6.370 2.884 2.106 4.323 . 0 0 "[ . 1 . 2]" 1
800 2 8 TYR QE 4 10 GLN QG . . 6.370 2.871 2.196 4.627 . 0 0 "[ . 1 . 2]" 1
801 1 40 TYR QE 1 41 ARG H . . 6.780 5.928 5.192 6.683 . 0 0 "[ . 1 . 2]" 1
802 3 40 TYR QE 3 41 ARG H . . 6.780 5.859 4.952 6.694 . 0 0 "[ . 1 . 2]" 1
803 2 41 TYR QE 2 42 ARG HA . . 5.910 5.114 4.055 5.641 . 0 0 "[ . 1 . 2]" 1
804 4 41 TYR QE 4 42 ARG HA . . 5.910 5.279 4.299 5.921 0.011 12 0 "[ . 1 . 2]" 1
805 1 23 LYS QE 2 41 TYR QE . . 6.440 5.398 3.745 6.558 0.118 14 0 "[ . 1 . 2]" 1
806 3 23 LYS QE 4 41 TYR QE . . 6.440 5.262 4.338 6.491 0.051 1 0 "[ . 1 . 2]" 1
807 1 24 GLU QG 2 41 TYR QE . . 5.470 4.711 2.538 5.568 0.098 4 0 "[ . 1 . 2]" 1
808 3 24 GLU QG 4 41 TYR QE . . 5.470 4.804 3.257 5.552 0.082 3 0 "[ . 1 . 2]" 1
809 1 40 TYR QE 2 25 GLU QG . . 5.070 4.183 2.259 5.178 0.108 7 0 "[ . 1 . 2]" 1
810 3 40 TYR QE 4 25 GLU QG . . 5.070 4.458 2.463 5.151 0.081 15 0 "[ . 1 . 2]" 1
811 1 28 LEU MD1 2 41 TYR QE . . 5.970 4.522 3.157 6.009 0.039 7 0 "[ . 1 . 2]" 1
812 3 28 LEU MD1 4 41 TYR QE . . 5.970 4.599 3.443 6.044 0.074 7 0 "[ . 1 . 2]" 1
813 2 7 TYR QB 4 17 PHE QE . . 5.730 2.955 2.639 3.428 . 0 0 "[ . 1 . 2]" 1
814 2 17 PHE QE 4 7 TYR QB . . 5.730 2.904 2.526 3.590 . 0 0 "[ . 1 . 2]" 1
815 2 17 PHE QE 2 21 MET QG . . 6.930 3.143 2.293 4.401 . 0 0 "[ . 1 . 2]" 1
816 4 17 PHE QE 4 21 MET QG . . 6.930 3.133 2.388 4.395 . 0 0 "[ . 1 . 2]" 1
817 2 17 PHE QD 2 18 GLU HA . . 5.560 3.901 3.171 4.934 . 0 0 "[ . 1 . 2]" 1
818 4 17 PHE QD 4 18 GLU HA . . 5.560 3.919 3.070 4.824 . 0 0 "[ . 1 . 2]" 1
819 2 7 TYR QB 4 17 PHE QD . . 5.130 2.718 2.266 3.612 . 0 0 "[ . 1 . 2]" 1
820 2 17 PHE QD 4 7 TYR QB . . 5.130 2.644 2.191 3.095 . 0 0 "[ . 1 . 2]" 1
821 2 17 PHE QD 4 9 LEU QB . . 6.550 5.043 4.081 5.814 . 0 0 "[ . 1 . 2]" 1
822 2 9 LEU QB 4 17 PHE QD . . 6.550 5.034 4.131 5.483 . 0 0 "[ . 1 . 2]" 1
823 2 13 GLY H 4 7 TYR QD . . 4.800 2.411 1.838 2.997 . 0 0 "[ . 1 . 2]" 1
824 2 7 TYR QD 4 13 GLY H . . 4.800 2.425 1.819 2.949 . 0 0 "[ . 1 . 2]" 1
825 2 12 ARG HA 4 7 TYR QD . . 5.320 2.909 2.053 3.730 . 0 0 "[ . 1 . 2]" 1
826 2 7 TYR QD 4 12 ARG HA . . 5.320 2.728 2.133 3.513 . 0 0 "[ . 1 . 2]" 1
827 2 14 ARG HA 4 7 TYR QD . . 5.630 4.278 3.747 5.453 . 0 0 "[ . 1 . 2]" 1
828 2 7 TYR QD 4 14 ARG HA . . 5.630 4.255 3.768 4.875 . 0 0 "[ . 1 . 2]" 1
829 2 14 ARG QD 4 7 TYR QD . . 6.360 5.249 4.534 6.365 0.005 20 0 "[ . 1 . 2]" 1
830 2 7 TYR QD 4 14 ARG QD . . 6.360 5.142 4.651 5.640 . 0 0 "[ . 1 . 2]" 1
831 2 17 PHE HB3 4 7 TYR QD . . 5.650 3.458 2.915 4.402 . 0 0 "[ . 1 . 2]" 1
832 2 7 TYR QD 4 17 PHE HB3 . . 5.650 3.522 3.143 3.934 . 0 0 "[ . 1 . 2]" 1
833 2 17 PHE QB 4 7 TYR QD . . 6.030 2.557 2.227 3.302 . 0 0 "[ . 1 . 2]" 1
834 2 7 TYR QD 4 17 PHE QB . . 6.030 2.627 2.314 3.052 . 0 0 "[ . 1 . 2]" 1
835 2 6 THR MG 2 7 TYR QD . . 5.630 4.839 4.265 5.336 . 0 0 "[ . 1 . 2]" 1
836 4 6 THR MG 4 7 TYR QD . . 5.630 4.870 4.353 5.309 . 0 0 "[ . 1 . 2]" 1
837 2 7 TYR HA 2 8 TYR QD . . 5.040 3.312 2.822 4.258 . 0 0 "[ . 1 . 2]" 1
838 4 7 TYR HA 4 8 TYR QD . . 5.040 3.344 2.834 4.308 . 0 0 "[ . 1 . 2]" 1
839 2 6 THR MG 2 8 TYR QD . . 5.100 3.868 2.543 4.778 . 0 0 "[ . 1 . 2]" 1
840 4 6 THR MG 4 8 TYR QD . . 5.100 3.940 2.970 4.961 . 0 0 "[ . 1 . 2]" 1
841 2 10 GLN QG 4 8 TYR QD . . 5.480 3.099 2.046 4.891 . 0 0 "[ . 1 . 2]" 1
842 2 8 TYR QD 4 10 GLN QG . . 5.480 3.189 2.051 4.653 . 0 0 "[ . 1 . 2]" 1
843 2 10 GLN HA 4 8 TYR QD . . 5.070 3.308 2.108 4.081 . 0 0 "[ . 1 . 2]" 1
844 2 8 TYR QD 4 10 GLN HA . . 5.070 3.388 2.214 4.042 . 0 0 "[ . 1 . 2]" 1
845 2 41 TYR QD 2 42 ARG HA . . 5.020 4.288 3.725 4.720 . 0 0 "[ . 1 . 2]" 1
846 4 41 TYR QD 4 42 ARG HA . . 5.020 4.342 3.390 4.791 . 0 0 "[ . 1 . 2]" 1
847 2 38 VAL HA 2 41 TYR QD . . 5.230 3.460 2.025 4.348 . 0 0 "[ . 1 . 2]" 1
848 4 38 VAL HA 4 41 TYR QD . . 5.230 3.624 3.295 4.156 . 0 0 "[ . 1 . 2]" 1
849 1 24 GLU QG 2 41 TYR QD . . 6.510 4.697 2.901 6.079 . 0 0 "[ . 1 . 2]" 1
850 3 24 GLU QG 4 41 TYR QD . . 6.510 4.644 3.293 6.093 . 0 0 "[ . 1 . 2]" 1
851 1 28 LEU HA 2 41 TYR QD . . 6.420 5.330 4.830 5.930 . 0 0 "[ . 1 . 2]" 1
852 3 28 LEU HA 4 41 TYR QD . . 6.420 5.296 4.246 5.964 . 0 0 "[ . 1 . 2]" 1
853 1 31 TYR QD 2 41 TYR QE . . 5.530 5.180 3.591 5.633 0.103 13 0 "[ . 1 . 2]" 1
854 3 31 TYR QD 4 41 TYR QE . . 5.530 5.137 3.523 5.638 0.108 15 0 "[ . 1 . 2]" 1
855 2 8 TYR HA 2 8 TYR QE . . 6.110 4.717 4.487 5.024 . 0 0 "[ . 1 . 2]" 1
856 4 8 TYR HA 4 8 TYR QE . . 6.110 4.765 4.410 4.989 . 0 0 "[ . 1 . 2]" 1
857 2 10 GLN HA 4 8 TYR QE . . 6.130 4.292 3.167 5.192 . 0 0 "[ . 1 . 2]" 1
858 2 8 TYR QE 4 10 GLN HA . . 6.130 4.309 3.463 5.021 . 0 0 "[ . 1 . 2]" 1
859 2 14 ARG HA 4 7 TYR QE . . 4.860 2.731 2.117 4.409 . 0 0 "[ . 1 . 2]" 1
860 2 7 TYR QE 4 14 ARG HA . . 4.860 2.653 2.119 3.880 . 0 0 "[ . 1 . 2]" 1
861 2 7 TYR H 2 7 TYR QE . . 5.480 5.185 4.770 5.553 0.073 7 0 "[ . 1 . 2]" 1
862 4 7 TYR H 4 7 TYR QE . . 5.480 5.205 4.414 5.569 0.089 3 0 "[ . 1 . 2]" 1
863 1 22 ILE MD 4 20 LEU H . . 5.580 5.421 4.806 5.659 0.079 5 0 "[ . 1 . 2]" 1
864 2 20 LEU H 3 22 ILE MD . . 5.580 5.376 4.598 5.659 0.079 16 0 "[ . 1 . 2]" 1
865 1 25 SER HA 2 30 MET H . . 5.760 5.410 4.951 5.834 0.074 16 0 "[ . 1 . 2]" 1
866 3 25 SER HA 4 30 MET H . . 5.760 5.465 5.051 5.825 0.065 16 0 "[ . 1 . 2]" 1
867 1 29 MET ME 2 30 MET H . . 5.820 5.610 4.603 5.913 0.093 13 0 "[ . 1 . 2]" 1
868 3 29 MET ME 4 30 MET H . . 5.820 5.606 4.961 5.916 0.096 13 0 "[ . 1 . 2]" 1
869 1 28 LEU QD 2 38 VAL H . . 6.460 3.328 2.740 4.398 . 0 0 "[ . 1 . 2]" 1
870 3 28 LEU QD 4 38 VAL H . . 6.460 3.278 2.695 3.934 . 0 0 "[ . 1 . 2]" 1
871 1 28 LEU MD1 2 38 VAL H . . 6.240 3.628 2.855 5.583 . 0 0 "[ . 1 . 2]" 1
872 3 28 LEU MD1 4 38 VAL H . . 6.240 3.565 2.721 4.714 . 0 0 "[ . 1 . 2]" 1
873 1 40 TYR QE 2 29 LEU H . . 5.990 5.322 4.293 6.073 0.083 4 0 "[ . 1 . 2]" 1
874 3 40 TYR QE 4 29 LEU H . . 5.990 5.621 4.646 6.092 0.102 20 0 "[ . 1 . 2]" 1
875 1 28 LEU QD 2 41 TYR H . . 6.640 4.562 3.655 5.499 . 0 0 "[ . 1 . 2]" 1
876 3 28 LEU QD 4 41 TYR H . . 6.640 4.485 3.699 5.481 . 0 0 "[ . 1 . 2]" 1
877 1 18 MET ME 4 22 LYS H . . 5.820 5.372 4.612 5.900 0.080 5 0 "[ . 1 . 2]" 1
878 2 22 LYS H 3 18 MET ME . . 5.820 5.409 4.760 5.929 0.109 2 0 "[ . 1 . 2]" 1
879 1 18 MET ME 4 23 LEU H . . 4.870 4.315 3.538 4.768 . 0 0 "[ . 1 . 2]" 1
880 2 23 LEU H 3 18 MET ME . . 4.870 4.305 3.836 4.789 . 0 0 "[ . 1 . 2]" 1
881 1 29 MET ME 2 29 LEU H . . 5.360 5.012 4.014 5.445 0.085 10 0 "[ . 1 . 2]" 1
882 3 29 MET ME 4 29 LEU H . . 5.360 5.034 4.107 5.446 0.086 17 0 "[ . 1 . 2]" 1
883 1 31 TYR H 2 38 VAL QG . . 6.440 6.478 6.005 6.560 0.120 10 0 "[ . 1 . 2]" 1
884 3 31 TYR H 4 38 VAL QG . . 6.440 6.474 6.197 6.582 0.142 4 0 "[ . 1 . 2]" 1
885 1 31 TYR QD 2 37 LEU MD1 . . 4.630 4.046 2.530 4.742 0.112 15 0 "[ . 1 . 2]" 1
886 3 31 TYR QD 4 37 LEU MD1 . . 4.630 4.117 2.662 4.735 0.105 7 0 "[ . 1 . 2]" 1
887 1 31 TYR QD 2 37 LEU QD . . 4.840 3.454 2.194 4.437 . 0 0 "[ . 1 . 2]" 1
888 3 31 TYR QD 4 37 LEU QD . . 4.840 3.415 2.215 4.440 . 0 0 "[ . 1 . 2]" 1
889 1 40 TYR QD 2 32 LEU QD . . 4.920 3.162 2.001 4.379 . 0 0 "[ . 1 . 2]" 1
890 3 40 TYR QD 4 32 LEU QD . . 4.920 3.095 2.024 4.276 . 0 0 "[ . 1 . 2]" 1
891 1 40 TYR QD 2 29 LEU QD . . 4.960 2.402 1.989 2.882 . 0 0 "[ . 1 . 2]" 1
892 3 40 TYR QD 4 29 LEU QD . . 4.960 2.396 1.972 3.044 . 0 0 "[ . 1 . 2]" 1
893 1 31 TYR QE 2 37 LEU QD . . 6.370 4.223 1.995 5.919 . 0 0 "[ . 1 . 2]" 1
894 3 31 TYR QE 4 37 LEU QD . . 6.370 4.097 2.198 5.857 . 0 0 "[ . 1 . 2]" 1
895 1 40 TYR QE 2 29 LEU QD . . 5.610 3.161 2.184 3.939 . 0 0 "[ . 1 . 2]" 1
896 3 40 TYR QE 4 29 LEU QD . . 5.610 3.107 2.054 3.978 . 0 0 "[ . 1 . 2]" 1
897 1 31 TYR HA 2 37 LEU QD . . 6.010 5.356 4.297 6.134 0.124 8 0 "[ . 1 . 2]" 1
898 3 31 TYR HA 4 37 LEU QD . . 6.010 5.452 4.172 6.115 0.105 20 0 "[ . 1 . 2]" 1
899 1 31 TYR QB 2 37 LEU MD2 . . 6.800 4.024 2.348 5.426 . 0 0 "[ . 1 . 2]" 1
900 3 31 TYR QB 4 37 LEU MD2 . . 6.800 4.053 2.524 5.987 . 0 0 "[ . 1 . 2]" 1
901 1 40 TYR QB 2 29 LEU QD . . 6.260 2.336 1.884 3.316 . 0 0 "[ . 1 . 2]" 1
902 3 40 TYR QB 4 29 LEU QD . . 6.260 2.391 1.962 3.340 . 0 0 "[ . 1 . 2]" 1
903 1 31 TYR HB3 2 37 LEU MD1 . . 6.770 4.255 2.649 5.794 . 0 0 "[ . 1 . 2]" 1
904 3 31 TYR HB3 4 37 LEU MD1 . . 6.770 4.521 2.358 6.172 . 0 0 "[ . 1 . 2]" 1
905 1 22 ILE MG 2 23 LEU MD2 . . 3.470 1.987 1.899 2.181 . 0 0 "[ . 1 . 2]" 1
906 3 22 ILE MG 4 23 LEU MD2 . . 3.470 1.976 1.905 2.067 . 0 0 "[ . 1 . 2]" 1
907 1 22 ILE MG 2 23 LEU QD . . 3.970 1.874 1.740 2.003 . 0 0 "[ . 1 . 2]" 1
908 3 22 ILE MG 4 23 LEU QD . . 3.970 1.860 1.771 1.996 . 0 0 "[ . 1 . 2]" 1
909 1 40 TYR QD 2 29 LEU MD2 . . 4.860 2.596 2.034 3.243 . 0 0 "[ . 1 . 2]" 1
910 3 40 TYR QD 4 29 LEU MD2 . . 4.860 2.596 2.019 3.601 . 0 0 "[ . 1 . 2]" 1
911 1 18 MET HA 4 19 ILE MD . . 5.370 3.627 2.892 4.253 . 0 0 "[ . 1 . 2]" 1
912 2 19 ILE MD 3 18 MET HA . . 5.370 3.621 2.882 4.430 . 0 0 "[ . 1 . 2]" 1
913 1 25 SER HA 2 30 MET ME . . 4.260 2.791 2.079 3.565 . 0 0 "[ . 1 . 2]" 1
914 3 25 SER HA 4 30 MET ME . . 4.260 2.812 2.158 3.502 . 0 0 "[ . 1 . 2]" 1
915 1 25 SER HA 2 30 MET HG2 . . 5.620 3.701 2.409 4.731 . 0 0 "[ . 1 . 2]" 1
916 3 25 SER HA 4 30 MET HG2 . . 5.620 3.625 2.421 4.569 . 0 0 "[ . 1 . 2]" 1
917 1 25 SER HA 2 30 MET HG3 . . 5.620 3.295 2.017 4.683 . 0 0 "[ . 1 . 2]" 1
918 3 25 SER HA 4 30 MET HG3 . . 5.620 3.292 2.030 4.650 . 0 0 "[ . 1 . 2]" 1
919 1 25 SER HA 2 30 MET HB3 . . 5.580 4.125 2.716 5.045 . 0 0 "[ . 1 . 2]" 1
920 3 25 SER HA 4 30 MET HB3 . . 5.580 4.160 3.095 4.888 . 0 0 "[ . 1 . 2]" 1
921 1 25 SER HA 2 30 MET QB . . 5.710 3.084 2.571 3.638 . 0 0 "[ . 1 . 2]" 1
922 3 25 SER HA 4 30 MET QB . . 5.710 3.152 2.665 3.876 . 0 0 "[ . 1 . 2]" 1
923 1 25 SER HA 2 38 VAL QG . . 6.390 4.447 3.654 5.140 . 0 0 "[ . 1 . 2]" 1
924 3 25 SER HA 4 38 VAL QG . . 6.390 4.411 3.835 5.132 . 0 0 "[ . 1 . 2]" 1
925 1 26 LEU HA 2 26 SER QB . . 5.950 2.967 2.075 3.764 . 0 0 "[ . 1 . 2]" 1
926 3 26 LEU HA 4 26 SER QB . . 5.950 2.907 2.100 3.538 . 0 0 "[ . 1 . 2]" 1
927 1 25 SER QB 2 30 MET ME . . 5.090 2.840 1.962 4.235 . 0 0 "[ . 1 . 2]" 1
928 3 25 SER QB 4 30 MET ME . . 5.090 3.038 2.092 3.940 . 0 0 "[ . 1 . 2]" 1
929 1 29 MET HA 2 29 LEU QD . . 6.800 4.994 4.221 6.004 . 0 0 "[ . 1 . 2]" 1
930 3 29 MET HA 4 29 LEU QD . . 6.800 5.029 4.168 6.452 . 0 0 "[ . 1 . 2]" 1
931 1 19 LEU HA 4 19 ILE MG . . 6.450 5.932 5.650 6.453 0.003 20 0 "[ . 1 . 2]" 1
932 2 19 ILE MG 3 19 LEU HA . . 6.450 5.842 5.398 6.475 0.025 6 0 "[ . 1 . 2]" 1
933 1 25 SER HB3 2 30 MET ME . . 5.050 3.329 2.215 5.114 0.064 12 0 "[ . 1 . 2]" 1
934 3 25 SER HB3 4 30 MET ME . . 5.050 3.533 2.162 4.801 . 0 0 "[ . 1 . 2]" 1
935 1 22 ILE HA 4 19 ILE MG . . 6.450 5.592 4.866 6.381 . 0 0 "[ . 1 . 2]" 1
936 2 19 ILE MG 3 22 ILE HA . . 6.450 5.631 5.013 6.171 . 0 0 "[ . 1 . 2]" 1
937 1 37 ILE HA 2 29 LEU MD2 . . 4.750 2.866 1.961 4.524 . 0 0 "[ . 1 . 2]" 1
938 3 37 ILE HA 4 29 LEU MD2 . . 4.750 2.889 2.132 4.743 . 0 0 "[ . 1 . 2]" 1
939 1 40 TYR HB2 2 29 LEU MD2 . . 6.190 3.105 1.981 5.552 . 0 0 "[ . 1 . 2]" 1
940 3 40 TYR HB2 4 29 LEU MD2 . . 6.190 3.131 2.119 5.922 . 0 0 "[ . 1 . 2]" 1
941 1 40 TYR HB2 2 29 LEU MD1 . . 6.080 3.921 2.089 6.089 0.009 9 0 "[ . 1 . 2]" 1
942 3 40 TYR HB2 4 29 LEU MD1 . . 6.080 4.022 2.053 5.988 . 0 0 "[ . 1 . 2]" 1
943 2 19 ILE MD 3 18 MET HB3 . . 5.700 4.466 2.890 5.795 0.095 6 0 "[ . 1 . 2]" 1
944 1 18 MET HB3 4 19 ILE MD . . 5.700 4.544 2.517 5.725 0.025 6 0 "[ . 1 . 2]" 1
945 2 19 ILE MG 3 18 MET HB2 . . 5.050 4.185 2.457 5.123 0.073 6 0 "[ . 1 . 2]" 1
946 1 18 MET HB2 4 19 ILE MG . . 5.050 4.153 2.446 5.036 . 0 0 "[ . 1 . 2]" 1
947 2 19 ILE MD 3 18 MET QB . . 5.760 3.513 2.253 4.526 . 0 0 "[ . 1 . 2]" 1
948 1 18 MET QB 4 19 ILE MD . . 5.760 3.594 2.154 4.572 . 0 0 "[ . 1 . 2]" 1
949 1 18 MET QB 4 23 LEU HG . . 6.610 6.073 4.885 6.646 0.036 5 0 "[ . 1 . 2]" 1
950 2 23 LEU HG 3 18 MET QB . . 6.610 6.127 5.239 6.696 0.086 5 0 "[ . 1 . 2]" 1
951 1 24 GLU QB 2 30 MET ME . . 5.100 3.132 2.251 3.700 . 0 0 "[ . 1 . 2]" 1
952 3 24 GLU QB 4 30 MET ME . . 5.100 3.185 2.511 3.734 . 0 0 "[ . 1 . 2]" 1
953 1 18 MET QG 4 19 ILE MG . . 5.350 2.902 1.999 4.718 . 0 0 "[ . 1 . 2]" 1
954 2 19 ILE MG 3 18 MET QG . . 5.350 2.933 1.942 4.392 . 0 0 "[ . 1 . 2]" 1
955 2 19 ILE MD 3 21 GLU QB . . 6.630 4.081 3.178 4.827 . 0 0 "[ . 1 . 2]" 1
956 1 21 GLU QB 4 19 ILE MD . . 6.630 4.089 3.126 4.767 . 0 0 "[ . 1 . 2]" 1
957 1 18 MET ME 4 19 ILE MD . . 4.450 3.797 3.246 4.308 . 0 0 "[ . 1 . 2]" 1
958 2 19 ILE MD 3 18 MET ME . . 4.450 3.738 2.978 4.393 . 0 0 "[ . 1 . 2]" 1
959 1 32 LEU QB 2 38 VAL QG . . 5.470 4.834 3.545 5.540 0.070 10 0 "[ . 1 . 2]" 1
960 3 32 LEU QB 4 38 VAL QG . . 5.470 4.827 4.058 5.563 0.093 7 0 "[ . 1 . 2]" 1
961 1 22 ILE HB 4 19 ILE MD . . 6.440 5.564 4.847 6.316 . 0 0 "[ . 1 . 2]" 1
962 2 19 ILE MD 3 22 ILE HB . . 6.440 5.615 4.937 6.385 . 0 0 "[ . 1 . 2]" 1
963 1 28 LEU HB2 2 30 MET ME . . 5.360 4.148 2.797 5.200 . 0 0 "[ . 1 . 2]" 1
964 3 28 LEU HB2 4 30 MET ME . . 5.360 3.911 2.496 4.874 . 0 0 "[ . 1 . 2]" 1
965 1 22 ILE HB 4 19 ILE MG . . 5.880 4.940 4.421 5.371 . 0 0 "[ . 1 . 2]" 1
966 2 19 ILE MG 3 22 ILE HB . . 5.880 4.963 4.626 5.244 . 0 0 "[ . 1 . 2]" 1
967 1 26 LEU HG 2 23 LEU HG . . 5.620 4.910 4.115 5.689 0.069 9 0 "[ . 1 . 2]" 1
968 3 26 LEU HG 4 23 LEU HG . . 5.620 4.890 3.609 5.692 0.072 6 0 "[ . 1 . 2]" 1
969 1 22 ILE HG12 4 19 ILE MG . . 5.070 3.493 2.652 4.377 . 0 0 "[ . 1 . 2]" 1
970 2 19 ILE MG 3 22 ILE HG12 . . 5.070 3.552 2.787 4.260 . 0 0 "[ . 1 . 2]" 1
971 1 28 LEU QB 2 38 VAL QG . . 5.420 2.519 1.969 3.531 . 0 0 "[ . 1 . 2]" 1
972 3 28 LEU QB 4 38 VAL QG . . 5.420 2.516 2.115 3.584 . 0 0 "[ . 1 . 2]" 1
973 1 28 LEU QB 2 30 MET ME . . 5.470 3.925 2.714 4.774 . 0 0 "[ . 1 . 2]" 1
974 3 28 LEU QB 4 30 MET ME . . 5.470 3.702 2.417 4.575 . 0 0 "[ . 1 . 2]" 1
975 1 22 ILE HG13 4 19 ILE MG . . 5.070 3.638 3.045 4.359 . 0 0 "[ . 1 . 2]" 1
976 2 19 ILE MG 3 22 ILE HG13 . . 5.070 3.644 3.047 4.142 . 0 0 "[ . 1 . 2]" 1
977 1 20 LEU QD 2 30 MET ME . . 5.730 5.277 4.834 5.844 0.114 18 0 "[ . 1 . 2]" 1
978 3 20 LEU QD 4 30 MET ME . . 5.730 5.252 4.720 5.839 0.109 18 0 "[ . 1 . 2]" 1
979 1 37 ILE MD 2 29 LEU HA . . 6.910 5.004 3.985 5.784 . 0 0 "[ . 1 . 2]" 1
980 3 37 ILE MD 4 29 LEU HA . . 6.910 4.897 4.008 5.829 . 0 0 "[ . 1 . 2]" 1
981 1 22 ILE MD 4 19 ILE MG . . 3.950 2.008 1.898 2.192 . 0 0 "[ . 1 . 2]" 1
982 2 19 ILE MG 3 22 ILE MD . . 3.950 2.010 1.879 2.116 . 0 0 "[ . 1 . 2]" 1
983 1 22 ILE MD 4 19 ILE MD . . 5.140 2.908 2.196 3.508 . 0 0 "[ . 1 . 2]" 1
984 2 19 ILE MD 3 22 ILE MD . . 5.140 2.925 2.225 3.734 . 0 0 "[ . 1 . 2]" 1
985 1 22 ILE MD 4 20 LEU HG . . 6.750 5.448 4.592 6.806 0.056 16 0 "[ . 1 . 2]" 1
986 2 20 LEU HG 3 22 ILE MD . . 6.750 5.368 3.719 6.666 . 0 0 "[ . 1 . 2]" 1
987 1 22 ILE MD 4 20 LEU QB . . 6.200 6.155 5.737 6.313 0.113 16 0 "[ . 1 . 2]" 1
988 2 20 LEU QB 3 22 ILE MD . . 6.200 6.068 5.213 6.319 0.119 20 0 "[ . 1 . 2]" 1
989 1 28 LEU QD 2 30 MET ME . . 5.000 3.855 1.933 5.054 0.054 15 0 "[ . 1 . 2]" 1
990 3 28 LEU QD 4 30 MET ME . . 5.000 3.661 2.045 5.117 0.117 7 0 "[ . 1 . 2]" 1
991 1 29 MET ME 2 25 GLU HG2 . . 5.980 3.544 2.117 5.967 . 0 0 "[ . 1 . 2]" 1
992 3 29 MET ME 4 25 GLU HG2 . . 5.980 3.617 2.132 5.935 . 0 0 "[ . 1 . 2]" 1
993 2 22 LYS QB 3 18 MET ME . . 5.950 3.852 2.802 5.289 . 0 0 "[ . 1 . 2]" 1
994 1 18 MET ME 4 22 LYS QB . . 5.950 3.770 2.602 5.209 . 0 0 "[ . 1 . 2]" 1
995 1 37 ILE MD 2 32 LEU HG . . 6.440 6.249 4.677 6.535 0.095 2 0 "[ . 1 . 2]" 1
996 3 37 ILE MD 4 32 LEU HG . . 6.440 6.084 4.515 6.535 0.095 13 0 "[ . 1 . 2]" 1
997 1 40 TYR HA 2 32 LEU QD . . 6.420 4.611 1.995 6.449 0.029 7 0 "[ . 1 . 2]" 1
998 3 40 TYR HA 4 32 LEU QD . . 6.420 4.651 1.987 6.512 0.092 2 0 "[ . 1 . 2]" 1
999 1 36 THR HA 2 32 LEU QD . . 6.290 4.843 3.447 6.088 . 0 0 "[ . 1 . 2]" 1
1000 3 36 THR HA 4 32 LEU QD . . 6.290 4.815 3.514 6.377 0.087 1 0 "[ . 1 . 2]" 1
1001 1 37 ILE HA 2 29 LEU QD . . 4.860 2.356 1.869 2.664 . 0 0 "[ . 1 . 2]" 1
1002 3 37 ILE HA 4 29 LEU QD . . 4.860 2.422 1.932 2.943 . 0 0 "[ . 1 . 2]" 1
1003 2 23 LEU QD 3 18 MET QB . . 6.270 4.467 3.800 5.295 . 0 0 "[ . 1 . 2]" 1
1004 1 18 MET QB 4 23 LEU QD . . 6.270 4.456 3.692 4.933 . 0 0 "[ . 1 . 2]" 1
1005 1 40 TYR QE 2 25 GLU HG3 . . 5.840 4.516 2.790 5.922 0.082 1 0 "[ . 1 . 2]" 1
1006 3 40 TYR QE 4 25 GLU HG3 . . 5.840 4.836 2.480 5.918 0.078 1 0 "[ . 1 . 2]" 1
1007 1 23 LYS H 1 24 GLU H . . 4.980 2.735 2.524 2.911 . 0 0 "[ . 1 . 2]" 1
1008 3 23 LYS H 3 24 GLU H . . 4.980 2.712 2.519 2.889 . 0 0 "[ . 1 . 2]" 1
1009 1 22 ILE H 1 23 LYS H . . 4.970 2.677 2.544 2.862 . 0 0 "[ . 1 . 2]" 1
1010 3 22 ILE H 3 23 LYS H . . 4.970 2.699 2.532 2.853 . 0 0 "[ . 1 . 2]" 1
1011 1 11 ARG H 1 12 GLY H . . 5.850 3.892 3.745 4.006 . 0 0 "[ . 1 . 2]" 1
1012 3 11 ARG H 3 12 GLY H . . 5.850 3.926 3.782 4.041 . 0 0 "[ . 1 . 2]" 1
1013 1 14 GLU H 1 15 THR H . . 4.490 2.626 2.422 2.829 . 0 0 "[ . 1 . 2]" 1
1014 3 14 GLU H 3 15 THR H . . 4.490 2.637 2.419 2.785 . 0 0 "[ . 1 . 2]" 1
1015 1 5 LEU H 1 6 LEU H . . 5.460 4.319 3.972 4.565 . 0 0 "[ . 1 . 2]" 1
1016 3 5 LEU H 3 6 LEU H . . 5.460 4.322 4.120 4.541 . 0 0 "[ . 1 . 2]" 1
1017 1 6 LEU H 3 10 VAL H . . 5.310 3.475 3.199 3.759 . 0 0 "[ . 1 . 2]" 1
1018 1 10 VAL H 3 6 LEU H . . 5.310 3.480 3.010 3.936 . 0 0 "[ . 1 . 2]" 1
1019 1 4 GLU H 1 6 LEU H . . 6.900 6.040 4.845 6.966 0.066 10 0 "[ . 1 . 2]" 1
1020 3 4 GLU H 3 6 LEU H . . 6.900 5.964 5.027 6.667 . 0 0 "[ . 1 . 2]" 1
1021 1 13 ARG H 1 14 GLU H . . 4.570 2.788 2.613 2.991 . 0 0 "[ . 1 . 2]" 1
1022 3 13 ARG H 3 14 GLU H . . 4.570 2.788 2.497 3.001 . 0 0 "[ . 1 . 2]" 1
1023 1 17 GLU H 1 18 MET H . . 4.710 2.940 2.781 3.133 . 0 0 "[ . 1 . 2]" 1
1024 3 17 GLU H 3 18 MET H . . 4.710 2.954 2.800 3.078 . 0 0 "[ . 1 . 2]" 1
1025 1 20 LEU H 1 21 GLU H . . 4.770 2.751 2.509 2.945 . 0 0 "[ . 1 . 2]" 1
1026 3 20 LEU H 3 21 GLU H . . 4.770 2.767 2.543 2.977 . 0 0 "[ . 1 . 2]" 1
1027 1 40 TYR H 1 41 ARG H . . 5.100 2.840 2.632 3.026 . 0 0 "[ . 1 . 2]" 1
1028 3 40 TYR H 3 41 ARG H . . 5.100 2.836 2.686 3.035 . 0 0 "[ . 1 . 2]" 1
1029 1 12 GLY H 3 4 GLU H . . 5.850 5.582 4.895 5.926 0.076 19 0 "[ . 1 . 2]" 1
1030 1 4 GLU H 3 12 GLY H . . 5.850 5.647 4.891 5.931 0.081 8 0 "[ . 1 . 2]" 1
1031 1 41 ARG H 1 42 GLN H . . 4.820 2.773 2.631 2.954 . 0 0 "[ . 1 . 2]" 1
1032 3 41 ARG H 3 42 GLN H . . 4.820 2.796 2.657 2.947 . 0 0 "[ . 1 . 2]" 1
1033 1 12 GLY H 3 6 LEU H . . 6.830 4.956 4.401 5.469 . 0 0 "[ . 1 . 2]" 1
1034 1 6 LEU H 3 12 GLY H . . 6.830 4.952 4.609 5.350 . 0 0 "[ . 1 . 2]" 1
1035 1 26 LEU H 1 27 GLU H . . 5.240 2.749 2.563 2.964 . 0 0 "[ . 1 . 2]" 1
1036 3 26 LEU H 3 27 GLU H . . 5.240 2.769 2.581 2.932 . 0 0 "[ . 1 . 2]" 1
1037 1 2 ASP H 1 3 ASP H . . 4.980 2.691 2.019 3.181 . 0 0 "[ . 1 . 2]" 1
1038 3 2 ASP H 3 3 ASP H . . 4.980 2.641 2.038 3.269 . 0 0 "[ . 1 . 2]" 1
1039 1 38 GLU H 1 39 THR H . . 4.720 2.839 2.636 3.001 . 0 0 "[ . 1 . 2]" 1
1040 3 38 GLU H 3 39 THR H . . 4.720 2.837 2.601 2.971 . 0 0 "[ . 1 . 2]" 1
1041 1 27 GLU H 1 28 LEU H . . 4.970 2.857 2.616 3.001 . 0 0 "[ . 1 . 2]" 1
1042 3 27 GLU H 3 28 LEU H . . 4.970 2.857 2.709 2.987 . 0 0 "[ . 1 . 2]" 1
1043 1 58 ILE H 1 59 GLN H . . 5.390 3.536 1.558 4.677 . 0 0 "[ . 1 . 2]" 1
1044 3 58 ILE H 3 59 GLN H . . 5.390 3.536 1.835 4.690 . 0 0 "[ . 1 . 2]" 1
1045 1 42 GLN H 1 43 GLN H . . 4.510 2.833 2.625 2.955 . 0 0 "[ . 1 . 2]" 1
1046 3 42 GLN H 3 43 GLN H . . 4.510 2.818 2.642 3.028 . 0 0 "[ . 1 . 2]" 1
1047 1 19 LEU H 1 20 LEU H . . 4.810 2.814 2.672 2.929 . 0 0 "[ . 1 . 2]" 1
1048 3 19 LEU H 3 20 LEU H . . 4.810 2.766 2.589 2.949 . 0 0 "[ . 1 . 2]" 1
1049 1 18 MET H 1 19 LEU H . . 4.650 2.794 2.625 3.006 . 0 0 "[ . 1 . 2]" 1
1050 3 18 MET H 3 19 LEU H . . 4.650 2.796 2.646 2.985 . 0 0 "[ . 1 . 2]" 1
1051 1 53 GLN H 1 54 LYS H . . 5.040 3.956 3.093 4.740 . 0 0 "[ . 1 . 2]" 1
1052 3 53 GLN H 3 54 LYS H . . 5.040 3.972 2.858 4.741 . 0 0 "[ . 1 . 2]" 1
1053 1 16 TYR H 1 17 GLU H . . 5.110 2.772 2.531 2.925 . 0 0 "[ . 1 . 2]" 1
1054 3 16 TYR H 3 17 GLU H . . 5.110 2.735 2.574 2.943 . 0 0 "[ . 1 . 2]" 1
1055 1 45 GLN H 1 46 GLN H . . 5.400 2.727 2.530 2.867 . 0 0 "[ . 1 . 2]" 1
1056 3 45 GLN H 3 46 GLN H . . 5.400 2.737 2.556 2.871 . 0 0 "[ . 1 . 2]" 1
1057 1 51 LEU H 1 52 LEU H . . 4.370 2.675 2.161 3.148 . 0 0 "[ . 1 . 2]" 1
1058 3 51 LEU H 3 52 LEU H . . 4.370 2.683 2.163 3.159 . 0 0 "[ . 1 . 2]" 1
1059 1 46 GLN H 1 47 GLN H . . 4.710 2.803 2.582 3.108 . 0 0 "[ . 1 . 2]" 1
1060 3 46 GLN H 3 47 GLN H . . 4.710 2.798 2.539 3.004 . 0 0 "[ . 1 . 2]" 1
1061 1 30 GLN H 1 31 TYR H . . 4.450 2.583 2.306 2.788 . 0 0 "[ . 1 . 2]" 1
1062 3 30 GLN H 3 31 TYR H . . 4.450 2.609 2.310 2.807 . 0 0 "[ . 1 . 2]" 1
1063 1 39 THR H 1 40 TYR H . . 4.700 2.798 2.673 2.906 . 0 0 "[ . 1 . 2]" 1
1064 3 39 THR H 3 40 TYR H . . 4.700 2.791 2.638 3.003 . 0 0 "[ . 1 . 2]" 1
1065 1 21 GLU H 1 22 ILE H . . 4.730 2.892 2.770 3.017 . 0 0 "[ . 1 . 2]" 1
1066 3 21 GLU H 3 22 ILE H . . 4.730 2.901 2.688 3.002 . 0 0 "[ . 1 . 2]" 1
1067 1 25 SER H 1 26 LEU H . . 4.990 2.896 2.655 3.065 . 0 0 "[ . 1 . 2]" 1
1068 3 25 SER H 3 26 LEU H . . 4.990 2.907 2.758 3.061 . 0 0 "[ . 1 . 2]" 1
1069 1 24 GLU H 1 25 SER H . . 4.900 2.838 2.693 2.972 . 0 0 "[ . 1 . 2]" 1
1070 3 24 GLU H 3 25 SER H . . 4.900 2.794 2.602 2.991 . 0 0 "[ . 1 . 2]" 1
1071 1 31 TYR H 1 32 LEU H . . 4.300 2.507 2.257 2.658 . 0 0 "[ . 1 . 2]" 1
1072 3 31 TYR H 3 32 LEU H . . 4.300 2.508 2.146 2.782 . 0 0 "[ . 1 . 2]" 1
1073 1 30 GLN H 1 32 LEU H . . 5.300 4.194 3.845 4.645 . 0 0 "[ . 1 . 2]" 1
1074 3 30 GLN H 3 32 LEU H . . 5.300 4.210 3.825 4.717 . 0 0 "[ . 1 . 2]" 1
1075 1 28 LEU H 1 29 MET H . . 5.100 2.785 2.669 2.975 . 0 0 "[ . 1 . 2]" 1
1076 3 28 LEU H 3 29 MET H . . 5.100 2.778 2.614 2.886 . 0 0 "[ . 1 . 2]" 1
1077 1 29 MET H 1 30 GLN H . . 4.480 2.797 2.648 2.985 . 0 0 "[ . 1 . 2]" 1
1078 3 29 MET H 3 30 GLN H . . 4.480 2.774 2.605 2.940 . 0 0 "[ . 1 . 2]" 1
1079 1 37 ILE H 1 38 GLU H . . 4.750 2.706 2.528 2.836 . 0 0 "[ . 1 . 2]" 1
1080 3 37 ILE H 3 38 GLU H . . 4.750 2.730 2.644 2.996 . 0 0 "[ . 1 . 2]" 1
1081 1 35 HIS HA 1 38 GLU H . . 6.660 3.520 2.939 3.934 . 0 0 "[ . 1 . 2]" 1
1082 3 35 HIS HA 3 38 GLU H . . 6.660 3.441 3.048 3.963 . 0 0 "[ . 1 . 2]" 1
1083 1 18 MET HA 1 21 GLU H . . 5.640 3.700 3.401 3.982 . 0 0 "[ . 1 . 2]" 1
1084 3 18 MET HA 3 21 GLU H . . 5.640 3.670 3.150 4.154 . 0 0 "[ . 1 . 2]" 1
1085 1 45 GLN HA 1 47 GLN H . . 4.940 4.390 3.937 4.841 . 0 0 "[ . 1 . 2]" 1
1086 3 45 GLN HA 3 47 GLN H . . 4.940 4.503 4.062 4.987 0.047 5 0 "[ . 1 . 2]" 1
1087 1 36 THR HB 1 37 ILE H . . 5.310 2.632 2.352 3.149 . 0 0 "[ . 1 . 2]" 1
1088 3 36 THR HB 3 37 ILE H . . 5.310 2.606 2.204 3.072 . 0 0 "[ . 1 . 2]" 1
1089 1 30 GLN HA 1 32 LEU H . . 5.810 4.413 3.935 5.122 . 0 0 "[ . 1 . 2]" 1
1090 3 30 GLN HA 3 32 LEU H . . 5.810 4.394 3.842 5.223 . 0 0 "[ . 1 . 2]" 1
1091 1 42 GLN HA 1 45 GLN H . . 6.230 3.672 3.459 3.872 . 0 0 "[ . 1 . 2]" 1
1092 3 42 GLN HA 3 45 GLN H . . 6.230 3.655 3.048 4.134 . 0 0 "[ . 1 . 2]" 1
1093 1 14 GLU HA 1 17 GLU H . . 5.640 3.525 3.224 3.813 . 0 0 "[ . 1 . 2]" 1
1094 3 14 GLU HA 3 17 GLU H . . 5.640 3.551 3.333 3.829 . 0 0 "[ . 1 . 2]" 1
1095 1 21 GLU HA 1 24 GLU H . . 5.720 3.781 3.381 4.296 . 0 0 "[ . 1 . 2]" 1
1096 3 21 GLU HA 3 24 GLU H . . 5.720 3.854 3.563 4.273 . 0 0 "[ . 1 . 2]" 1
1097 1 26 LEU HA 1 29 MET H . . 6.650 3.646 3.452 3.934 . 0 0 "[ . 1 . 2]" 1
1098 3 26 LEU HA 3 29 MET H . . 6.650 3.671 3.325 3.874 . 0 0 "[ . 1 . 2]" 1
1099 1 39 THR HA 1 43 GLN H . . 6.650 3.820 3.367 4.308 . 0 0 "[ . 1 . 2]" 1
1100 3 39 THR HA 3 43 GLN H . . 6.650 3.928 3.404 4.319 . 0 0 "[ . 1 . 2]" 1
1101 1 36 THR HA 1 40 TYR H . . 6.350 4.076 3.565 4.465 . 0 0 "[ . 1 . 2]" 1
1102 3 36 THR HA 3 40 TYR H . . 6.350 4.048 3.646 4.509 . 0 0 "[ . 1 . 2]" 1
1103 1 28 LEU HA 1 32 LEU H . . 6.370 3.880 3.272 4.263 . 0 0 "[ . 1 . 2]" 1
1104 3 28 LEU HA 3 32 LEU H . . 6.370 3.855 3.078 4.457 . 0 0 "[ . 1 . 2]" 1
1105 1 39 THR HA 1 42 GLN H . . 5.220 3.545 3.180 3.843 . 0 0 "[ . 1 . 2]" 1
1106 3 39 THR HA 3 42 GLN H . . 5.220 3.534 3.112 3.820 . 0 0 "[ . 1 . 2]" 1
1107 2 35 GLN HA 2 39 ASP H . . 6.670 4.336 3.695 5.019 . 0 0 "[ . 1 . 2]" 1
1108 4 35 GLN HA 4 39 ASP H . . 6.670 4.300 3.639 4.972 . 0 0 "[ . 1 . 2]" 1
1109 1 44 GLN HA 1 47 GLN H . . 5.890 3.678 3.364 4.260 . 0 0 "[ . 1 . 2]" 1
1110 3 44 GLN HA 3 47 GLN H . . 5.890 3.604 3.042 3.877 . 0 0 "[ . 1 . 2]" 1
1111 1 28 LEU HA 1 31 TYR H . . 5.540 3.181 2.888 3.590 . 0 0 "[ . 1 . 2]" 1
1112 3 28 LEU HA 3 31 TYR H . . 5.540 3.131 2.960 3.401 . 0 0 "[ . 1 . 2]" 1
1113 1 57 SER QB 1 58 ILE H . . 5.390 3.263 1.824 4.008 . 0 0 "[ . 1 . 2]" 1
1114 3 57 SER QB 3 58 ILE H . . 5.390 3.231 1.881 4.120 . 0 0 "[ . 1 . 2]" 1
1115 1 19 LEU HA 1 22 ILE H . . 5.680 3.829 3.395 4.261 . 0 0 "[ . 1 . 2]" 1
1116 3 19 LEU HA 3 22 ILE H . . 5.680 3.768 3.436 3.962 . 0 0 "[ . 1 . 2]" 1
1117 1 15 THR HA 1 18 MET H . . 5.550 3.842 3.439 4.270 . 0 0 "[ . 1 . 2]" 1
1118 3 15 THR HA 3 18 MET H . . 5.550 3.883 3.524 4.228 . 0 0 "[ . 1 . 2]" 1
1119 1 41 ARG HA 1 44 GLN H . . 5.620 3.668 3.225 4.220 . 0 0 "[ . 1 . 2]" 1
1120 3 41 ARG HA 3 44 GLN H . . 5.620 3.583 3.305 4.058 . 0 0 "[ . 1 . 2]" 1
1121 1 12 GLY QA 1 14 GLU H . . 6.540 3.923 3.784 4.089 . 0 0 "[ . 1 . 2]" 1
1122 3 12 GLY QA 3 14 GLU H . . 6.540 3.937 3.757 4.072 . 0 0 "[ . 1 . 2]" 1
1123 1 4 GLU H 3 12 GLY QA . . 6.630 5.909 5.359 6.650 0.020 20 0 "[ . 1 . 2]" 1
1124 1 12 GLY QA 3 4 GLU H . . 6.630 5.831 5.326 6.270 . 0 0 "[ . 1 . 2]" 1
1125 1 37 ILE HA 1 40 TYR H . . 5.650 3.570 3.155 4.127 . 0 0 "[ . 1 . 2]" 1
1126 3 37 ILE HA 3 40 TYR H . . 5.650 3.608 3.289 4.115 . 0 0 "[ . 1 . 2]" 1
1127 1 40 TYR HB2 1 41 ARG H . . 5.730 3.612 2.674 3.997 . 0 0 "[ . 1 . 2]" 1
1128 3 40 TYR HB2 3 41 ARG H . . 5.730 3.576 2.889 3.875 . 0 0 "[ . 1 . 2]" 1
1129 1 16 TYR HB3 1 17 GLU H . . 5.300 2.592 2.377 3.140 . 0 0 "[ . 1 . 2]" 1
1130 3 16 TYR HB3 3 17 GLU H . . 5.300 2.531 2.362 2.781 . 0 0 "[ . 1 . 2]" 1
1131 1 50 HIS QB 1 51 LEU H . . 5.410 2.939 2.479 3.685 . 0 0 "[ . 1 . 2]" 1
1132 3 50 HIS QB 3 51 LEU H . . 5.410 2.945 2.533 3.623 . 0 0 "[ . 1 . 2]" 1
1133 1 40 TYR HB3 1 41 ARG H . . 5.750 2.590 2.351 3.078 . 0 0 "[ . 1 . 2]" 1
1134 3 40 TYR HB3 3 41 ARG H . . 5.750 2.550 2.189 3.108 . 0 0 "[ . 1 . 2]" 1
1135 1 16 TYR HB2 1 17 GLU H . . 5.610 3.861 3.648 4.143 . 0 0 "[ . 1 . 2]" 1
1136 3 16 TYR HB2 3 17 GLU H . . 5.610 3.834 3.649 4.051 . 0 0 "[ . 1 . 2]" 1
1137 1 3 ASP QB 1 4 GLU H . . 4.760 3.469 2.201 4.068 . 0 0 "[ . 1 . 2]" 1
1138 3 3 ASP QB 3 4 GLU H . . 4.760 3.399 2.129 4.111 . 0 0 "[ . 1 . 2]" 1
1139 1 3 ASP H 1 3 ASP QB . . 3.920 2.488 2.025 2.893 . 0 0 "[ . 1 . 2]" 1
1140 3 3 ASP H 3 3 ASP QB . . 3.920 2.489 2.097 2.831 . 0 0 "[ . 1 . 2]" 1
1141 1 7 TYR HB3 1 8 LEU H . . 6.380 3.289 2.541 3.907 . 0 0 "[ . 1 . 2]" 1
1142 3 7 TYR HB3 3 8 LEU H . . 6.380 3.184 2.682 3.974 . 0 0 "[ . 1 . 2]" 1
1143 1 14 GLU H 1 14 GLU QG . . 4.710 3.156 2.072 3.993 . 0 0 "[ . 1 . 2]" 1
1144 3 14 GLU H 3 14 GLU QG . . 4.710 3.049 1.949 4.033 . 0 0 "[ . 1 . 2]" 1
1145 1 24 GLU QB 1 25 SER H . . 5.100 2.580 2.225 2.960 . 0 0 "[ . 1 . 2]" 1
1146 3 24 GLU QB 3 25 SER H . . 5.100 2.575 2.309 2.928 . 0 0 "[ . 1 . 2]" 1
1147 1 18 MET H 1 18 MET QG . . 4.430 3.527 2.066 4.033 . 0 0 "[ . 1 . 2]" 1
1148 3 18 MET H 3 18 MET QG . . 4.430 3.505 2.145 4.033 . 0 0 "[ . 1 . 2]" 1
1149 1 18 MET QG 1 19 LEU H . . 5.480 3.508 2.085 4.445 . 0 0 "[ . 1 . 2]" 1
1150 3 18 MET QG 3 19 LEU H . . 5.480 3.531 1.977 4.547 . 0 0 "[ . 1 . 2]" 1
1151 1 44 GLN H 1 45 GLN QB . . 6.290 4.562 4.236 4.842 . 0 0 "[ . 1 . 2]" 1
1152 3 44 GLN H 3 45 GLN QB . . 6.290 4.557 4.056 4.989 . 0 0 "[ . 1 . 2]" 1
1153 1 14 GLU H 1 17 GLU QB . . 5.310 5.079 4.662 5.380 0.070 14 0 "[ . 1 . 2]" 1
1154 3 14 GLU H 3 17 GLU QB . . 5.310 4.942 4.555 5.380 0.070 14 0 "[ . 1 . 2]" 1
1155 1 36 THR H 1 38 GLU QB . . 6.190 4.862 4.358 5.372 . 0 0 "[ . 1 . 2]" 1
1156 3 36 THR H 3 38 GLU QB . . 6.190 4.894 4.473 5.213 . 0 0 "[ . 1 . 2]" 1
1157 1 38 GLU QB 1 39 THR H . . 4.750 2.481 2.174 2.769 . 0 0 "[ . 1 . 2]" 1
1158 3 38 GLU QB 3 39 THR H . . 4.750 2.411 2.185 2.846 . 0 0 "[ . 1 . 2]" 1
1159 1 35 HIS H 1 38 GLU QB . . 6.020 4.593 4.292 4.982 . 0 0 "[ . 1 . 2]" 1
1160 3 35 HIS H 3 38 GLU QB . . 6.020 4.611 4.099 4.934 . 0 0 "[ . 1 . 2]" 1
1161 1 53 GLN HB2 1 54 LYS H . . 5.720 4.133 2.714 4.700 . 0 0 "[ . 1 . 2]" 1
1162 3 53 GLN HB2 3 54 LYS H . . 5.720 4.121 2.223 4.707 . 0 0 "[ . 1 . 2]" 1
1163 2 43 GLN QB 2 44 GLN H . . 5.380 2.486 2.165 2.809 . 0 0 "[ . 1 . 2]" 1
1164 4 43 GLN QB 4 44 GLN H . . 5.380 2.516 2.288 2.820 . 0 0 "[ . 1 . 2]" 1
1165 1 20 LEU H 1 21 GLU QB . . 6.750 4.448 4.088 5.070 . 0 0 "[ . 1 . 2]" 1
1166 3 20 LEU H 3 21 GLU QB . . 6.750 4.445 4.203 4.720 . 0 0 "[ . 1 . 2]" 1
1167 1 23 LYS QB 1 24 GLU H . . 4.540 2.576 2.117 3.671 . 0 0 "[ . 1 . 2]" 1
1168 3 23 LYS QB 3 24 GLU H . . 4.540 2.606 2.343 3.676 . 0 0 "[ . 1 . 2]" 1
1169 1 44 GLN H 1 44 GLN QG . . 4.450 3.560 2.328 4.061 . 0 0 "[ . 1 . 2]" 1
1170 3 44 GLN H 3 44 GLN QG . . 4.450 3.580 2.301 4.106 . 0 0 "[ . 1 . 2]" 1
1171 1 18 MET ME 1 19 LEU H . . 5.700 4.868 4.287 5.546 . 0 0 "[ . 1 . 2]" 1
1172 3 18 MET ME 3 19 LEU H . . 5.700 4.856 3.973 5.509 . 0 0 "[ . 1 . 2]" 1
1173 1 53 GLN HB3 1 54 LYS H . . 5.750 3.686 1.992 4.526 . 0 0 "[ . 1 . 2]" 1
1174 3 53 GLN HB3 3 54 LYS H . . 5.750 3.696 2.109 4.502 . 0 0 "[ . 1 . 2]" 1
1175 1 10 VAL HB 1 11 ARG H . . 5.730 3.870 3.633 4.031 . 0 0 "[ . 1 . 2]" 1
1176 3 10 VAL HB 3 11 ARG H . . 5.730 3.814 3.605 4.107 . 0 0 "[ . 1 . 2]" 1
1177 1 4 GLU QB 1 5 LEU H . . 4.650 3.627 2.261 4.099 . 0 0 "[ . 1 . 2]" 1
1178 3 4 GLU QB 3 5 LEU H . . 4.650 3.672 3.157 4.089 . 0 0 "[ . 1 . 2]" 1
1179 1 4 GLU H 1 4 GLU QB . . 3.610 2.434 2.065 3.104 . 0 0 "[ . 1 . 2]" 1
1180 3 4 GLU H 3 4 GLU QB . . 3.610 2.486 2.111 3.130 . 0 0 "[ . 1 . 2]" 1
1181 1 41 ARG QB 1 42 GLN H . . 5.080 2.610 2.355 3.006 . 0 0 "[ . 1 . 2]" 1
1182 3 41 ARG QB 3 42 GLN H . . 5.080 2.663 2.334 2.943 . 0 0 "[ . 1 . 2]" 1
1183 1 3 ASP H 1 4 GLU QB . . 5.130 4.270 3.574 4.964 . 0 0 "[ . 1 . 2]" 1
1184 3 3 ASP H 3 4 GLU QB . . 5.130 4.391 3.660 4.906 . 0 0 "[ . 1 . 2]" 1
1185 1 10 VAL HB 1 12 GLY H . . 6.820 4.999 4.644 5.441 . 0 0 "[ . 1 . 2]" 1
1186 3 10 VAL HB 3 12 GLY H . . 6.820 5.000 4.568 5.693 . 0 0 "[ . 1 . 2]" 1
1187 1 41 ARG QB 1 44 GLN H . . 5.710 5.172 4.855 5.463 . 0 0 "[ . 1 . 2]" 1
1188 3 41 ARG QB 3 44 GLN H . . 5.710 5.141 4.900 5.335 . 0 0 "[ . 1 . 2]" 1
1189 1 13 ARG QB 1 14 GLU H . . 4.850 2.442 2.241 2.692 . 0 0 "[ . 1 . 2]" 1
1190 3 13 ARG QB 3 14 GLU H . . 4.850 2.412 2.186 2.600 . 0 0 "[ . 1 . 2]" 1
1191 1 22 ILE HB 1 23 LYS H . . 4.500 2.814 2.471 3.182 . 0 0 "[ . 1 . 2]" 1
1192 3 22 ILE HB 3 23 LYS H . . 4.500 2.783 2.467 3.078 . 0 0 "[ . 1 . 2]" 1
1193 1 26 LEU H 1 26 LEU HG . . 4.950 4.166 2.605 4.582 . 0 0 "[ . 1 . 2]" 1
1194 3 26 LEU H 3 26 LEU HG . . 4.950 4.149 2.572 4.581 . 0 0 "[ . 1 . 2]" 1
1195 1 19 LEU QB 1 21 GLU H . . 6.860 4.909 4.663 5.205 . 0 0 "[ . 1 . 2]" 1
1196 3 19 LEU QB 3 21 GLU H . . 6.860 4.948 4.796 5.267 . 0 0 "[ . 1 . 2]" 1
1197 1 22 ILE HB 1 24 GLU H . . 5.970 5.300 4.988 5.616 . 0 0 "[ . 1 . 2]" 1
1198 3 22 ILE HB 3 24 GLU H . . 5.970 5.252 4.953 5.598 . 0 0 "[ . 1 . 2]" 1
1199 1 11 ARG HB2 1 12 GLY H . . 5.650 3.913 3.663 4.582 . 0 0 "[ . 1 . 2]" 1
1200 3 11 ARG HB2 3 12 GLY H . . 5.650 3.900 3.673 4.521 . 0 0 "[ . 1 . 2]" 1
1201 1 13 ARG H 1 13 ARG QG . . 5.000 3.767 2.682 4.096 . 0 0 "[ . 1 . 2]" 1
1202 3 13 ARG H 3 13 ARG QG . . 5.000 3.749 2.720 4.145 . 0 0 "[ . 1 . 2]" 1
1203 1 13 ARG QG 1 14 GLU H . . 5.350 3.867 2.937 4.507 . 0 0 "[ . 1 . 2]" 1
1204 3 13 ARG QG 3 14 GLU H . . 5.350 3.913 3.223 4.470 . 0 0 "[ . 1 . 2]" 1
1205 1 11 ARG HB3 1 12 GLY H . . 5.640 4.395 3.875 4.587 . 0 0 "[ . 1 . 2]" 1
1206 3 11 ARG HB3 3 12 GLY H . . 5.640 4.408 3.771 4.538 . 0 0 "[ . 1 . 2]" 1
1207 1 51 LEU H 1 52 LEU QB . . 5.020 4.454 3.912 5.047 0.027 8 0 "[ . 1 . 2]" 1
1208 3 51 LEU H 3 52 LEU QB . . 5.020 4.460 3.856 5.027 0.007 14 0 "[ . 1 . 2]" 1
1209 1 52 LEU QB 1 53 GLN H . . 5.090 2.936 2.170 3.753 . 0 0 "[ . 1 . 2]" 1
1210 3 52 LEU QB 3 53 GLN H . . 5.090 2.944 1.938 3.754 . 0 0 "[ . 1 . 2]" 1
1211 1 5 LEU H 1 5 LEU HB2 . . 4.140 2.554 2.152 3.144 . 0 0 "[ . 1 . 2]" 1
1212 3 5 LEU H 3 5 LEU HB2 . . 4.140 2.547 2.264 2.745 . 0 0 "[ . 1 . 2]" 1
1213 1 11 ARG QG 1 12 GLY H . . 5.430 4.436 3.540 4.620 . 0 0 "[ . 1 . 2]" 1
1214 3 11 ARG QG 3 12 GLY H . . 5.430 4.408 3.523 4.763 . 0 0 "[ . 1 . 2]" 1
1215 1 26 LEU QB 1 27 GLU H . . 5.720 2.498 2.296 2.792 . 0 0 "[ . 1 . 2]" 1
1216 3 26 LEU QB 3 27 GLU H . . 5.720 2.507 2.299 2.851 . 0 0 "[ . 1 . 2]" 1
1217 1 51 LEU H 1 51 LEU HG . . 4.920 4.048 2.629 4.537 . 0 0 "[ . 1 . 2]" 1
1218 3 51 LEU H 3 51 LEU HG . . 4.920 4.065 2.468 4.570 . 0 0 "[ . 1 . 2]" 1
1219 1 23 LYS QG 1 24 GLU H . . 6.390 3.862 2.686 4.309 . 0 0 "[ . 1 . 2]" 1
1220 3 23 LYS QG 3 24 GLU H . . 6.390 3.906 2.662 4.217 . 0 0 "[ . 1 . 2]" 1
1221 1 20 LEU HG 1 21 GLU H . . 6.790 5.025 4.555 5.248 . 0 0 "[ . 1 . 2]" 1
1222 3 20 LEU HG 3 21 GLU H . . 6.790 5.025 4.667 5.292 . 0 0 "[ . 1 . 2]" 1
1223 1 5 LEU H 1 5 LEU HB3 . . 4.150 2.555 2.398 2.936 . 0 0 "[ . 1 . 2]" 1
1224 3 5 LEU H 3 5 LEU HB3 . . 4.150 2.529 2.360 2.753 . 0 0 "[ . 1 . 2]" 1
1225 1 6 LEU QB 3 10 VAL H . . 6.660 3.628 3.299 3.965 . 0 0 "[ . 1 . 2]" 1
1226 1 10 VAL H 3 6 LEU QB . . 6.660 3.631 3.436 3.835 . 0 0 "[ . 1 . 2]" 1
1227 1 6 LEU HB3 1 7 TYR H . . 5.050 2.628 2.288 3.384 . 0 0 "[ . 1 . 2]" 1
1228 3 6 LEU HB3 3 7 TYR H . . 5.050 2.716 2.216 3.469 . 0 0 "[ . 1 . 2]" 1
1229 1 36 THR MG 1 37 ILE H . . 5.720 3.715 3.143 4.171 . 0 0 "[ . 1 . 2]" 1
1230 3 36 THR MG 3 37 ILE H . . 5.720 3.733 3.387 4.157 . 0 0 "[ . 1 . 2]" 1
1231 1 20 LEU QB 1 21 GLU H . . 5.210 2.535 2.252 2.862 . 0 0 "[ . 1 . 2]" 1
1232 3 20 LEU QB 3 21 GLU H . . 5.210 2.491 2.239 2.823 . 0 0 "[ . 1 . 2]" 1
1233 1 56 THR MG 1 57 SER H . . 6.550 3.556 1.784 4.339 . 0 0 "[ . 1 . 2]" 1
1234 3 56 THR MG 3 57 SER H . . 6.550 3.573 1.715 4.485 . 0 0 "[ . 1 . 2]" 1
1235 1 6 LEU HB2 1 7 TYR H . . 5.050 3.791 3.305 4.317 . 0 0 "[ . 1 . 2]" 1
1236 3 6 LEU HB2 3 7 TYR H . . 5.050 3.863 3.373 4.349 . 0 0 "[ . 1 . 2]" 1
1237 1 10 VAL QG 3 8 LEU H . . 5.440 4.521 3.508 5.270 . 0 0 "[ . 1 . 2]" 1
1238 1 8 LEU H 3 10 VAL QG . . 5.440 4.515 3.984 4.872 . 0 0 "[ . 1 . 2]" 1
1239 1 20 LEU H 1 20 LEU QD . . 5.000 3.725 2.780 3.865 . 0 0 "[ . 1 . 2]" 1
1240 3 20 LEU H 3 20 LEU QD . . 5.000 3.686 2.588 3.905 . 0 0 "[ . 1 . 2]" 1
1241 1 20 LEU QD 1 21 GLU H . . 5.300 3.687 3.010 4.344 . 0 0 "[ . 1 . 2]" 1
1242 3 20 LEU QD 3 21 GLU H . . 5.300 3.658 3.055 4.152 . 0 0 "[ . 1 . 2]" 1
1243 1 37 ILE H 1 37 ILE MD . . 4.810 2.682 1.826 3.453 . 0 0 "[ . 1 . 2]" 1
1244 3 37 ILE H 3 37 ILE MD . . 4.810 2.724 1.703 3.688 . 0 0 "[ . 1 . 2]" 1
1245 1 20 LEU QD 1 24 GLU H . . 5.990 3.345 2.883 4.034 . 0 0 "[ . 1 . 2]" 1
1246 3 20 LEU QD 3 24 GLU H . . 5.990 3.328 2.736 4.023 . 0 0 "[ . 1 . 2]" 1
1247 1 51 LEU QD 1 52 LEU H . . 6.510 3.976 3.159 4.312 . 0 0 "[ . 1 . 2]" 1
1248 3 51 LEU QD 3 52 LEU H . . 6.510 3.997 3.261 4.334 . 0 0 "[ . 1 . 2]" 1
1249 1 37 ILE MG 1 38 GLU H . . 5.050 3.513 3.159 3.916 . 0 0 "[ . 1 . 2]" 1
1250 3 37 ILE MG 3 38 GLU H . . 5.050 3.508 3.021 4.037 . 0 0 "[ . 1 . 2]" 1
1251 1 5 LEU MD1 1 6 LEU H . . 5.880 3.488 2.283 5.092 . 0 0 "[ . 1 . 2]" 1
1252 3 5 LEU MD1 3 6 LEU H . . 5.880 3.603 2.455 4.822 . 0 0 "[ . 1 . 2]" 1
1253 1 22 ILE MG 1 26 LEU H . . 5.160 4.150 3.848 4.478 . 0 0 "[ . 1 . 2]" 1
1254 3 22 ILE MG 3 26 LEU H . . 5.160 4.123 3.843 4.505 . 0 0 "[ . 1 . 2]" 1
1255 1 22 ILE MG 1 23 LYS H . . 5.310 3.492 3.033 3.975 . 0 0 "[ . 1 . 2]" 1
1256 3 22 ILE MG 3 23 LYS H . . 5.310 3.436 2.986 3.740 . 0 0 "[ . 1 . 2]" 1
1257 1 5 LEU QD 3 11 ARG H . . 6.400 4.505 3.637 5.322 . 0 0 "[ . 1 . 2]" 1
1258 1 11 ARG H 3 5 LEU QD . . 6.400 4.607 3.893 5.592 . 0 0 "[ . 1 . 2]" 1
1259 1 19 LEU QD 3 23 LYS H . . 6.170 4.025 2.781 4.959 . 0 0 "[ . 1 . 2]" 1
1260 1 23 LYS H 3 19 LEU QD . . 6.170 3.949 2.931 5.085 . 0 0 "[ . 1 . 2]" 1
1261 1 19 LEU QD 1 20 LEU H . . 6.070 3.978 3.123 4.318 . 0 0 "[ . 1 . 2]" 1
1262 3 19 LEU QD 3 20 LEU H . . 6.070 3.980 3.265 4.255 . 0 0 "[ . 1 . 2]" 1
1263 1 19 LEU H 1 19 LEU QD . . 4.850 3.064 2.177 3.701 . 0 0 "[ . 1 . 2]" 1
1264 3 19 LEU H 3 19 LEU QD . . 4.850 3.090 2.275 3.713 . 0 0 "[ . 1 . 2]" 1
1265 1 28 LEU H 1 28 LEU MD2 . . 5.530 2.683 2.067 4.263 . 0 0 "[ . 1 . 2]" 1
1266 3 28 LEU H 3 28 LEU MD2 . . 5.530 2.731 2.226 4.345 . 0 0 "[ . 1 . 2]" 1
1267 2 34 PRO HG2 2 35 GLN HA . . 6.030 4.789 4.299 5.124 . 0 0 "[ . 1 . 2]" 1
1268 4 34 PRO HG2 4 35 GLN HA . . 6.030 4.792 4.338 5.117 . 0 0 "[ . 1 . 2]" 1
1269 1 22 ILE HA 1 25 SER H . . 5.970 3.553 3.149 4.004 . 0 0 "[ . 1 . 2]" 1
1270 3 22 ILE HA 3 25 SER H . . 5.970 3.561 3.241 3.896 . 0 0 "[ . 1 . 2]" 1
1271 1 21 GLU QB 1 22 ILE HA . . 6.650 4.136 3.808 4.356 . 0 0 "[ . 1 . 2]" 1
1272 3 21 GLU QB 3 22 ILE HA . . 6.650 4.115 3.750 4.297 . 0 0 "[ . 1 . 2]" 1
1273 1 14 GLU HA 1 17 GLU QB . . 4.390 2.664 2.349 2.991 . 0 0 "[ . 1 . 2]" 1
1274 3 14 GLU HA 3 17 GLU QB . . 4.390 2.583 2.328 3.070 . 0 0 "[ . 1 . 2]" 1
1275 1 41 ARG HA 1 45 GLN H . . 6.440 4.052 3.721 4.352 . 0 0 "[ . 1 . 2]" 1
1276 3 41 ARG HA 3 45 GLN H . . 6.440 3.952 3.526 4.360 . 0 0 "[ . 1 . 2]" 1
1277 1 23 LYS HA 1 26 LEU H . . 6.440 3.791 3.506 4.132 . 0 0 "[ . 1 . 2]" 1
1278 3 23 LYS HA 3 26 LEU H . . 6.440 3.792 3.500 4.206 . 0 0 "[ . 1 . 2]" 1
1279 1 23 LYS HA 1 26 LEU QB . . 5.460 3.153 2.647 3.714 . 0 0 "[ . 1 . 2]" 1
1280 3 23 LYS HA 3 26 LEU QB . . 5.460 3.129 2.682 3.737 . 0 0 "[ . 1 . 2]" 1
1281 1 22 ILE MG 1 23 LYS HA . . 4.740 3.569 3.207 4.087 . 0 0 "[ . 1 . 2]" 1
1282 3 22 ILE MG 3 23 LYS HA . . 4.740 3.495 3.164 3.709 . 0 0 "[ . 1 . 2]" 1
1283 1 17 GLU HA 1 20 LEU QB . . 5.260 3.192 2.591 3.855 . 0 0 "[ . 1 . 2]" 1
1284 3 17 GLU HA 3 20 LEU QB . . 5.260 3.100 2.548 3.546 . 0 0 "[ . 1 . 2]" 1
1285 1 17 GLU HA 1 20 LEU QD . . 5.130 4.004 3.514 4.777 . 0 0 "[ . 1 . 2]" 1
1286 3 17 GLU HA 3 20 LEU QD . . 5.130 3.907 3.443 4.433 . 0 0 "[ . 1 . 2]" 1
1287 1 37 ILE MG 1 38 GLU HA . . 6.840 3.646 3.234 4.133 . 0 0 "[ . 1 . 2]" 1
1288 3 37 ILE MG 3 38 GLU HA . . 6.840 3.636 3.198 4.250 . 0 0 "[ . 1 . 2]" 1
1289 1 13 ARG HA 1 16 TYR HB3 . . 4.910 3.296 2.775 3.726 . 0 0 "[ . 1 . 2]" 1
1290 3 13 ARG HA 3 16 TYR HB3 . . 4.910 3.277 3.001 3.719 . 0 0 "[ . 1 . 2]" 1
1291 1 42 GLN HA 1 45 GLN QB . . 4.140 2.879 2.395 3.453 . 0 0 "[ . 1 . 2]" 1
1292 3 42 GLN HA 3 45 GLN QB . . 4.140 2.845 2.043 3.840 . 0 0 "[ . 1 . 2]" 1
1293 1 18 MET HA 1 21 GLU QB . . 5.480 2.830 2.394 3.351 . 0 0 "[ . 1 . 2]" 1
1294 3 18 MET HA 3 21 GLU QB . . 5.480 2.815 2.281 3.380 . 0 0 "[ . 1 . 2]" 1
1295 1 20 LEU HA 1 24 GLU H . . 6.260 3.741 3.208 4.189 . 0 0 "[ . 1 . 2]" 1
1296 3 20 LEU HA 3 24 GLU H . . 6.260 3.729 3.373 4.206 . 0 0 "[ . 1 . 2]" 1
1297 1 20 LEU HA 1 23 LYS H . . 5.770 3.559 3.208 3.845 . 0 0 "[ . 1 . 2]" 1
1298 3 20 LEU HA 3 23 LYS H . . 5.770 3.552 3.049 3.907 . 0 0 "[ . 1 . 2]" 1
1299 1 20 LEU HA 1 23 LYS QB . . 5.020 2.609 2.164 4.160 . 0 0 "[ . 1 . 2]" 1
1300 3 20 LEU HA 3 23 LYS QB . . 5.020 2.639 2.125 4.368 . 0 0 "[ . 1 . 2]" 1
1301 1 20 LEU HA 1 23 LYS QG . . 6.030 4.269 2.226 5.103 . 0 0 "[ . 1 . 2]" 1
1302 3 20 LEU HA 3 23 LYS QG . . 6.030 4.336 2.575 5.402 . 0 0 "[ . 1 . 2]" 1
1303 1 8 LEU MD1 3 20 LEU HA . . 5.330 3.803 2.598 5.021 . 0 0 "[ . 1 . 2]" 1
1304 1 20 LEU HA 3 8 LEU MD1 . . 5.330 3.863 2.508 4.729 . 0 0 "[ . 1 . 2]" 1
1305 2 27 LEU HA 2 30 MET QG . . 4.970 4.224 2.098 5.038 0.068 16 0 "[ . 1 . 2]" 1
1306 4 27 LEU HA 4 30 MET QG . . 4.970 4.229 2.058 5.043 0.073 18 0 "[ . 1 . 2]" 1
1307 1 26 LEU HA 1 29 MET QB . . 5.080 2.709 2.258 3.878 . 0 0 "[ . 1 . 2]" 1
1308 3 26 LEU HA 3 29 MET QB . . 5.080 2.764 2.211 4.028 . 0 0 "[ . 1 . 2]" 1
1309 1 29 MET HA 1 32 LEU H . . 5.730 3.731 3.221 4.418 . 0 0 "[ . 1 . 2]" 1
1310 3 29 MET HA 3 32 LEU H . . 5.730 3.775 3.283 4.266 . 0 0 "[ . 1 . 2]" 1
1311 1 29 MET HA 1 31 TYR H . . 6.100 4.344 3.932 4.850 . 0 0 "[ . 1 . 2]" 1
1312 3 29 MET HA 3 31 TYR H . . 6.100 4.370 4.071 4.924 . 0 0 "[ . 1 . 2]" 1
1313 1 26 LEU HA 2 26 SER HB3 . . 5.680 3.484 2.091 4.392 . 0 0 "[ . 1 . 2]" 1
1314 3 26 LEU HA 4 26 SER HB3 . . 5.680 3.553 2.115 4.707 . 0 0 "[ . 1 . 2]" 1
1315 1 9 PRO HA 3 7 TYR HA . . 4.900 2.356 2.132 2.617 . 0 0 "[ . 1 . 2]" 1
1316 1 7 TYR HA 3 9 PRO HA . . 4.900 2.366 2.111 2.654 . 0 0 "[ . 1 . 2]" 1
1317 1 10 VAL H 3 7 TYR HA . . 5.430 3.375 2.916 4.020 . 0 0 "[ . 1 . 2]" 1
1318 1 7 TYR HA 3 10 VAL H . . 5.430 3.405 2.847 3.943 . 0 0 "[ . 1 . 2]" 1
1319 1 10 VAL QG 3 7 TYR HA . . 5.840 4.659 4.079 5.585 . 0 0 "[ . 1 . 2]" 1
1320 1 7 TYR HA 3 10 VAL QG . . 5.840 4.700 4.021 5.481 . 0 0 "[ . 1 . 2]" 1
1321 1 8 LEU QB 3 7 TYR HA . . 6.660 4.796 4.348 5.416 . 0 0 "[ . 1 . 2]" 1
1322 1 7 TYR HA 3 8 LEU QB . . 6.660 4.811 4.130 5.325 . 0 0 "[ . 1 . 2]" 1
1323 1 7 TYR HA 1 8 LEU QB . . 6.840 4.034 3.851 4.576 . 0 0 "[ . 1 . 2]" 1
1324 3 7 TYR HA 3 8 LEU QB . . 6.840 4.027 3.830 4.417 . 0 0 "[ . 1 . 2]" 1
1325 1 28 LEU HA 1 31 TYR QE . . 6.860 5.948 4.852 6.642 . 0 0 "[ . 1 . 2]" 1
1326 3 28 LEU HA 3 31 TYR QE . . 6.860 5.842 4.683 6.639 . 0 0 "[ . 1 . 2]" 1
1327 1 54 LYS HA 1 54 LYS QD . . 4.850 3.566 2.206 4.523 . 0 0 "[ . 1 . 2]" 1
1328 3 54 LYS HA 3 54 LYS QD . . 4.850 3.633 2.134 4.527 . 0 0 "[ . 1 . 2]" 1
1329 1 4 GLU HA 1 5 LEU H . . 3.350 2.288 2.065 3.147 . 0 0 "[ . 1 . 2]" 1
1330 3 4 GLU HA 3 5 LEU H . . 3.350 2.251 2.020 2.545 . 0 0 "[ . 1 . 2]" 1
1331 1 22 ILE H 1 22 ILE MD . . 4.880 3.529 3.181 3.867 . 0 0 "[ . 1 . 2]" 1
1332 3 22 ILE H 3 22 ILE MD . . 4.880 3.541 3.213 3.918 . 0 0 "[ . 1 . 2]" 1
1333 1 19 LEU HA 1 22 ILE MD . . 5.190 3.538 2.754 4.745 . 0 0 "[ . 1 . 2]" 1
1334 3 19 LEU HA 3 22 ILE MD . . 5.190 3.475 2.770 4.539 . 0 0 "[ . 1 . 2]" 1
1335 1 20 LEU QD 3 8 LEU HA . . 6.110 5.259 3.818 6.121 0.011 7 0 "[ . 1 . 2]" 1
1336 1 8 LEU HA 3 20 LEU QD . . 6.110 5.333 3.938 6.116 0.006 5 0 "[ . 1 . 2]" 1
1337 1 12 GLY HA2 1 13 ARG QB . . 6.070 4.271 4.126 4.517 . 0 0 "[ . 1 . 2]" 1
1338 3 12 GLY HA2 3 13 ARG QB . . 6.070 4.314 4.124 4.642 . 0 0 "[ . 1 . 2]" 1
1339 1 12 GLY HA2 1 14 GLU H . . 6.490 4.352 4.135 4.541 . 0 0 "[ . 1 . 2]" 1
1340 3 12 GLY HA2 3 14 GLU H . . 6.490 4.378 4.199 4.621 . 0 0 "[ . 1 . 2]" 1
1341 1 12 GLY QA 1 15 THR H . . 6.810 3.060 2.866 3.282 . 0 0 "[ . 1 . 2]" 1
1342 3 12 GLY QA 3 15 THR H . . 6.810 3.067 2.713 3.329 . 0 0 "[ . 1 . 2]" 1
1343 1 12 GLY HA3 1 15 THR H . . 6.570 3.159 2.958 3.458 . 0 0 "[ . 1 . 2]" 1
1344 3 12 GLY HA3 3 15 THR H . . 6.570 3.166 2.768 3.420 . 0 0 "[ . 1 . 2]" 1
1345 1 11 ARG HA 1 12 GLY HA2 . . 6.030 4.393 4.350 4.435 . 0 0 "[ . 1 . 2]" 1
1346 3 11 ARG HA 3 12 GLY HA2 . . 6.030 4.397 4.330 4.452 . 0 0 "[ . 1 . 2]" 1
1347 1 11 ARG HA 1 12 GLY QA . . 6.080 3.963 3.932 4.014 . 0 0 "[ . 1 . 2]" 1
1348 3 11 ARG HA 3 12 GLY QA . . 6.080 3.969 3.903 4.016 . 0 0 "[ . 1 . 2]" 1
1349 1 11 ARG HA 1 11 ARG QD . . 4.770 4.146 3.692 4.572 . 0 0 "[ . 1 . 2]" 1
1350 3 11 ARG HA 3 11 ARG QD . . 4.770 4.105 3.678 4.547 . 0 0 "[ . 1 . 2]" 1
1351 1 11 ARG QD 3 5 LEU MD1 . . 5.250 2.736 2.055 3.845 . 0 0 "[ . 1 . 2]" 1
1352 1 5 LEU MD1 3 11 ARG QD . . 5.250 2.763 2.027 4.006 . 0 0 "[ . 1 . 2]" 1
1353 1 11 ARG QD 3 5 LEU QD . . 5.230 2.709 2.052 3.771 . 0 0 "[ . 1 . 2]" 1
1354 1 5 LEU QD 3 11 ARG QD . . 5.230 2.728 2.022 3.958 . 0 0 "[ . 1 . 2]" 1
1355 1 11 ARG H 1 11 ARG QD . . 5.760 3.940 2.124 4.622 . 0 0 "[ . 1 . 2]" 1
1356 3 11 ARG H 3 11 ARG QD . . 5.760 3.912 1.950 4.717 . 0 0 "[ . 1 . 2]" 1
1357 1 11 ARG QD 1 12 GLY H . . 6.790 5.631 4.967 6.115 . 0 0 "[ . 1 . 2]" 1
1358 3 11 ARG QD 3 12 GLY H . . 6.790 5.564 4.664 6.022 . 0 0 "[ . 1 . 2]" 1
1359 1 5 LEU HB2 1 6 LEU H . . 5.790 4.526 4.334 4.766 . 0 0 "[ . 1 . 2]" 1
1360 3 5 LEU HB2 3 6 LEU H . . 5.790 4.544 4.372 4.693 . 0 0 "[ . 1 . 2]" 1
1361 1 5 LEU HB3 1 6 LEU H . . 5.780 4.426 4.103 4.567 . 0 0 "[ . 1 . 2]" 1
1362 3 5 LEU HB3 3 6 LEU H . . 5.780 4.440 4.332 4.534 . 0 0 "[ . 1 . 2]" 1
1363 1 13 ARG HA 1 13 ARG QD . . 4.360 2.418 2.095 2.946 . 0 0 "[ . 1 . 2]" 1
1364 3 13 ARG HA 3 13 ARG QD . . 4.360 2.385 2.056 2.970 . 0 0 "[ . 1 . 2]" 1
1365 1 13 ARG QD 1 16 TYR QD . . 6.180 4.756 3.757 6.272 0.092 6 0 "[ . 1 . 2]" 1
1366 3 13 ARG QD 3 16 TYR QD . . 6.180 5.013 4.212 6.268 0.088 15 0 "[ . 1 . 2]" 1
1367 1 6 LEU QD 3 13 ARG QD . . 6.000 4.093 3.304 5.404 . 0 0 "[ . 1 . 2]" 1
1368 1 13 ARG QD 3 6 LEU QD . . 6.000 4.126 3.265 5.548 . 0 0 "[ . 1 . 2]" 1
1369 1 6 LEU MD2 3 13 ARG QD . . 5.710 5.247 3.621 5.831 0.121 7 0 "[ . 1 . 2]" 1
1370 1 13 ARG QD 3 6 LEU MD2 . . 5.710 5.226 4.028 5.823 0.113 17 0 "[ . 1 . 2]" 1
1371 1 32 LEU QB 2 37 LEU QD . . 6.080 3.156 2.024 4.451 . 0 0 "[ . 1 . 2]" 1
1372 3 32 LEU QB 4 37 LEU QD . . 6.080 3.161 1.985 4.500 . 0 0 "[ . 1 . 2]" 1
1373 1 23 LYS QE 1 24 GLU QB . . 6.790 4.628 2.477 6.221 . 0 0 "[ . 1 . 2]" 1
1374 3 23 LYS QE 3 24 GLU QB . . 6.790 4.461 2.755 6.055 . 0 0 "[ . 1 . 2]" 1
1375 1 23 LYS QE 1 24 GLU QG . . 7.790 5.025 2.310 6.889 . 0 0 "[ . 1 . 2]" 1
1376 3 23 LYS QE 3 24 GLU QG . . 7.790 4.825 2.261 6.821 . 0 0 "[ . 1 . 2]" 1
1377 1 20 LEU HA 1 23 LYS QE . . 6.530 4.461 2.541 6.049 . 0 0 "[ . 1 . 2]" 1
1378 3 20 LEU HA 3 23 LYS QE . . 6.530 4.448 2.187 5.839 . 0 0 "[ . 1 . 2]" 1
1379 1 23 LYS QE 1 24 GLU HA . . 6.580 4.106 2.410 5.862 . 0 0 "[ . 1 . 2]" 1
1380 3 23 LYS QE 3 24 GLU HA . . 6.580 3.922 2.312 5.440 . 0 0 "[ . 1 . 2]" 1
1381 1 50 HIS HA 1 52 LEU QB . . 6.000 4.976 3.967 5.560 . 0 0 "[ . 1 . 2]" 1
1382 3 50 HIS HA 3 52 LEU QB . . 6.000 4.992 4.018 6.000 . 0 0 "[ . 1 . 2]" 1
1383 1 48 HIS HA 1 51 LEU QB . . 5.910 2.743 1.970 3.462 . 0 0 "[ . 1 . 2]" 1
1384 3 48 HIS HA 3 51 LEU QB . . 5.910 2.786 1.987 3.643 . 0 0 "[ . 1 . 2]" 1
1385 1 51 LEU QB 1 52 LEU H . . 4.520 2.876 2.422 3.686 . 0 0 "[ . 1 . 2]" 1
1386 3 51 LEU QB 3 52 LEU H . . 4.520 2.856 2.416 3.630 . 0 0 "[ . 1 . 2]" 1
1387 1 11 ARG QD 3 3 ASP QB . . 5.210 4.167 2.569 5.330 0.120 15 0 "[ . 1 . 2]" 1
1388 1 3 ASP QB 3 11 ARG QD . . 5.210 4.030 2.609 5.325 0.115 15 0 "[ . 1 . 2]" 1
1389 1 7 TYR HB2 1 8 LEU H . . 6.380 4.168 3.628 4.524 . 0 0 "[ . 1 . 2]" 1
1390 3 7 TYR HB2 3 8 LEU H . . 6.380 4.117 3.780 4.627 . 0 0 "[ . 1 . 2]" 1
1391 1 13 ARG HA 1 16 TYR HB2 . . 5.500 3.965 3.551 4.376 . 0 0 "[ . 1 . 2]" 1
1392 3 13 ARG HA 3 16 TYR HB2 . . 5.500 4.044 3.562 4.245 . 0 0 "[ . 1 . 2]" 1
1393 1 27 GLU H 1 27 GLU HG2 . . 5.300 3.992 2.306 4.705 . 0 0 "[ . 1 . 2]" 1
1394 3 27 GLU H 3 27 GLU HG2 . . 5.300 4.114 2.621 4.649 . 0 0 "[ . 1 . 2]" 1
1395 1 19 LEU QD 1 22 ILE HB . . 6.530 4.246 3.528 5.242 . 0 0 "[ . 1 . 2]" 1
1396 3 19 LEU QD 3 22 ILE HB . . 6.530 4.136 3.666 4.850 . 0 0 "[ . 1 . 2]" 1
1397 1 19 LEU HA 1 22 ILE HB . . 5.100 3.167 2.382 4.119 . 0 0 "[ . 1 . 2]" 1
1398 3 19 LEU HA 3 22 ILE HB . . 5.100 3.049 2.420 3.343 . 0 0 "[ . 1 . 2]" 1
1399 1 16 TYR HB3 1 17 GLU QG . . 6.930 3.629 3.284 4.528 . 0 0 "[ . 1 . 2]" 1
1400 3 16 TYR HB3 3 17 GLU QG . . 6.930 3.646 3.253 5.236 . 0 0 "[ . 1 . 2]" 1
1401 1 14 GLU HA 1 17 GLU QG . . 6.350 3.617 2.989 4.227 . 0 0 "[ . 1 . 2]" 1
1402 3 14 GLU HA 3 17 GLU QG . . 6.350 3.762 2.734 4.106 . 0 0 "[ . 1 . 2]" 1
1403 1 16 TYR QE 1 17 GLU HG2 . . 6.860 5.856 4.431 6.935 0.075 18 0 "[ . 1 . 2]" 1
1404 3 16 TYR QE 3 17 GLU HG2 . . 6.860 5.586 4.133 6.902 0.042 2 0 "[ . 1 . 2]" 1
1405 1 17 GLU QG 1 18 MET H . . 6.750 4.189 4.043 4.322 . 0 0 "[ . 1 . 2]" 1
1406 3 17 GLU QG 3 18 MET H . . 6.750 4.227 4.078 4.417 . 0 0 "[ . 1 . 2]" 1
1407 1 16 TYR HB3 1 17 GLU HG3 . . 6.620 4.151 3.411 5.284 . 0 0 "[ . 1 . 2]" 1
1408 3 16 TYR HB3 3 17 GLU HG3 . . 6.620 4.151 3.311 6.099 . 0 0 "[ . 1 . 2]" 1
1409 1 14 GLU HA 1 17 GLU HG3 . . 6.020 3.775 3.026 4.382 . 0 0 "[ . 1 . 2]" 1
1410 3 14 GLU HA 3 17 GLU HG3 . . 6.020 3.935 2.822 4.461 . 0 0 "[ . 1 . 2]" 1
1411 1 16 TYR QD 1 17 GLU HG3 . . 5.310 4.358 2.913 5.383 0.073 17 0 "[ . 1 . 2]" 1
1412 3 16 TYR QD 3 17 GLU HG3 . . 5.310 4.059 2.357 5.375 0.065 19 0 "[ . 1 . 2]" 1
1413 1 16 TYR QE 1 17 GLU QG . . 6.920 5.318 4.115 6.293 . 0 0 "[ . 1 . 2]" 1
1414 3 16 TYR QE 3 17 GLU QG . . 6.920 5.069 3.626 6.019 . 0 0 "[ . 1 . 2]" 1
1415 1 17 GLU HG3 1 18 MET H . . 6.700 4.643 4.335 5.062 . 0 0 "[ . 1 . 2]" 1
1416 3 17 GLU HG3 3 18 MET H . . 6.700 4.654 4.395 5.201 . 0 0 "[ . 1 . 2]" 1
1417 1 17 GLU H 1 17 GLU HG3 . . 4.940 2.790 2.223 3.710 . 0 0 "[ . 1 . 2]" 1
1418 3 17 GLU H 3 17 GLU HG3 . . 4.940 2.824 2.222 4.297 . 0 0 "[ . 1 . 2]" 1
1419 1 24 GLU QG 2 30 MET ME . . 5.820 3.352 2.120 4.989 . 0 0 "[ . 1 . 2]" 1
1420 3 24 GLU QG 4 30 MET ME . . 5.820 3.296 2.155 4.668 . 0 0 "[ . 1 . 2]" 1
1421 1 24 GLU H 1 24 GLU HG3 . . 5.240 4.079 2.312 4.508 . 0 0 "[ . 1 . 2]" 1
1422 3 24 GLU H 3 24 GLU HG3 . . 5.240 4.090 2.531 4.482 . 0 0 "[ . 1 . 2]" 1
1423 1 24 GLU H 1 24 GLU HG2 . . 5.270 4.091 2.412 4.590 . 0 0 "[ . 1 . 2]" 1
1424 3 24 GLU H 3 24 GLU HG2 . . 5.270 4.068 2.283 4.613 . 0 0 "[ . 1 . 2]" 1
1425 1 37 ILE MG 1 38 GLU QG . . 6.680 5.306 4.410 6.139 . 0 0 "[ . 1 . 2]" 1
1426 3 37 ILE MG 3 38 GLU QG . . 6.680 5.277 4.587 6.035 . 0 0 "[ . 1 . 2]" 1
1427 1 38 GLU HG3 1 39 THR HA . . 5.890 4.926 3.560 5.721 . 0 0 "[ . 1 . 2]" 1
1428 3 38 GLU HG3 3 39 THR HA . . 5.890 4.951 3.473 5.950 0.060 17 0 "[ . 1 . 2]" 1
1429 1 38 GLU HG2 1 39 THR HA . . 5.880 4.287 3.441 5.808 . 0 0 "[ . 1 . 2]" 1
1430 3 38 GLU HG2 3 39 THR HA . . 5.880 4.506 3.528 5.758 . 0 0 "[ . 1 . 2]" 1
1431 1 35 HIS HA 1 38 GLU QG . . 6.150 4.360 3.593 5.287 . 0 0 "[ . 1 . 2]" 1
1432 3 35 HIS HA 3 38 GLU QG . . 6.150 4.341 3.663 5.093 . 0 0 "[ . 1 . 2]" 1
1433 1 38 GLU QG 1 40 TYR H . . 6.680 5.495 5.091 6.294 . 0 0 "[ . 1 . 2]" 1
1434 3 38 GLU QG 3 40 TYR H . . 6.680 5.510 5.024 6.260 . 0 0 "[ . 1 . 2]" 1
1435 1 38 GLU HG2 1 39 THR H . . 6.280 3.928 2.986 4.665 . 0 0 "[ . 1 . 2]" 1
1436 3 38 GLU HG2 3 39 THR H . . 6.280 4.077 3.328 5.190 . 0 0 "[ . 1 . 2]" 1
1437 1 38 GLU QG 1 39 THR H . . 6.410 3.600 2.923 4.175 . 0 0 "[ . 1 . 2]" 1
1438 3 38 GLU QG 3 39 THR H . . 6.410 3.675 3.219 4.311 . 0 0 "[ . 1 . 2]" 1
1439 1 38 GLU H 1 38 GLU HG2 . . 4.880 4.486 4.176 4.663 . 0 0 "[ . 1 . 2]" 1
1440 3 38 GLU H 3 38 GLU HG2 . . 4.880 4.495 4.359 4.659 . 0 0 "[ . 1 . 2]" 1
1441 1 38 GLU H 1 38 GLU HG3 . . 4.890 4.379 4.198 4.634 . 0 0 "[ . 1 . 2]" 1
1442 3 38 GLU H 3 38 GLU HG3 . . 4.890 4.391 4.023 4.515 . 0 0 "[ . 1 . 2]" 1
1443 1 4 GLU QG 1 6 LEU QD . . 6.000 3.020 2.330 4.468 . 0 0 "[ . 1 . 2]" 1
1444 3 4 GLU QG 3 6 LEU QD . . 6.000 2.941 1.983 3.905 . 0 0 "[ . 1 . 2]" 1
1445 1 4 GLU HG3 1 6 LEU MD2 . . 5.760 4.100 2.580 5.614 . 0 0 "[ . 1 . 2]" 1
1446 3 4 GLU HG3 3 6 LEU MD2 . . 5.760 4.083 2.410 5.569 . 0 0 "[ . 1 . 2]" 1
1447 1 4 GLU HG2 1 6 LEU MD1 . . 5.810 4.424 2.592 5.902 0.092 18 0 "[ . 1 . 2]" 1
1448 3 4 GLU HG2 3 6 LEU MD1 . . 5.810 4.067 2.318 5.910 0.100 18 0 "[ . 1 . 2]" 1
1449 1 4 GLU HG3 1 6 LEU MD1 . . 5.730 4.625 2.798 5.819 0.089 5 0 "[ . 1 . 2]" 1
1450 3 4 GLU HG3 3 6 LEU MD1 . . 5.730 4.345 2.125 5.823 0.093 5 0 "[ . 1 . 2]" 1
1451 1 4 GLU HG3 1 5 LEU H . . 5.380 3.435 1.740 5.178 . 0 0 "[ . 1 . 2]" 1
1452 3 4 GLU HG3 3 5 LEU H . . 5.380 3.415 2.081 5.456 0.076 6 0 "[ . 1 . 2]" 1
1453 1 4 GLU HG2 1 5 LEU H . . 5.390 4.253 1.871 5.308 . 0 0 "[ . 1 . 2]" 1
1454 3 4 GLU HG2 3 5 LEU H . . 5.390 4.219 2.378 5.368 . 0 0 "[ . 1 . 2]" 1
1455 1 18 MET HA 1 21 GLU HG3 . . 6.420 5.493 3.420 6.464 0.044 6 0 "[ . 1 . 2]" 1
1456 3 18 MET HA 3 21 GLU HG3 . . 6.420 5.466 3.324 6.361 . 0 0 "[ . 1 . 2]" 1
1457 1 18 MET HA 1 21 GLU QG . . 6.670 4.573 3.325 5.376 . 0 0 "[ . 1 . 2]" 1
1458 3 18 MET HA 3 21 GLU QG . . 6.670 4.548 3.189 5.229 . 0 0 "[ . 1 . 2]" 1
1459 1 21 GLU HG3 1 22 ILE H . . 6.230 4.677 3.889 5.084 . 0 0 "[ . 1 . 2]" 1
1460 3 21 GLU HG3 3 22 ILE H . . 6.230 4.634 3.809 5.082 . 0 0 "[ . 1 . 2]" 1
1461 1 21 GLU QG 1 22 ILE H . . 6.450 3.831 3.145 4.583 . 0 0 "[ . 1 . 2]" 1
1462 3 21 GLU QG 3 22 ILE H . . 6.450 3.870 3.361 4.591 . 0 0 "[ . 1 . 2]" 1
1463 1 10 VAL HB 1 19 LEU QD . . 6.710 4.207 3.144 5.456 . 0 0 "[ . 1 . 2]" 1
1464 3 10 VAL HB 3 19 LEU QD . . 6.710 4.429 3.126 5.785 . 0 0 "[ . 1 . 2]" 1
1465 1 30 GLN QG 1 31 TYR QE . . 6.740 6.060 4.879 6.837 0.097 6 0 "[ . 1 . 2]" 1
1466 3 30 GLN QG 3 31 TYR QE . . 6.740 6.083 4.205 6.824 0.084 14 0 "[ . 1 . 2]" 1
1467 1 30 GLN H 1 30 GLN QG . . 4.650 3.565 2.112 4.104 . 0 0 "[ . 1 . 2]" 1
1468 3 30 GLN H 3 30 GLN QG . . 4.650 3.506 2.099 4.030 . 0 0 "[ . 1 . 2]" 1
1469 2 45 GLN QG 2 46 GLN HA . . 5.290 4.754 3.523 5.383 0.093 6 0 "[ . 1 . 2]" 1
1470 4 45 GLN QG 4 46 GLN HA . . 5.290 4.868 3.848 5.401 0.111 17 0 "[ . 1 . 2]" 1
1471 1 18 MET HB2 1 19 LEU H . . 6.460 3.868 2.935 4.140 . 0 0 "[ . 1 . 2]" 1
1472 3 18 MET HB2 3 19 LEU H . . 6.460 3.887 3.116 4.132 . 0 0 "[ . 1 . 2]" 1
1473 1 18 MET QB 1 22 ILE MD . . 5.120 3.510 2.155 4.354 . 0 0 "[ . 1 . 2]" 1
1474 3 18 MET QB 3 22 ILE MD . . 5.120 3.609 2.452 4.321 . 0 0 "[ . 1 . 2]" 1
1475 1 18 MET HB2 1 22 ILE MD . . 4.830 4.037 2.172 4.914 0.084 1 0 "[ . 1 . 2]" 1
1476 3 18 MET HB2 3 22 ILE MD . . 4.830 4.149 2.474 4.909 0.079 2 0 "[ . 1 . 2]" 1
1477 1 29 MET HG3 1 30 GLN H . . 6.210 4.875 2.196 5.386 . 0 0 "[ . 1 . 2]" 1
1478 3 29 MET HG3 3 30 GLN H . . 6.210 4.858 2.369 5.381 . 0 0 "[ . 1 . 2]" 1
1479 1 29 MET HG2 1 30 GLN H . . 6.210 4.338 3.650 4.929 . 0 0 "[ . 1 . 2]" 1
1480 3 29 MET HG2 3 30 GLN H . . 6.210 4.403 3.730 4.900 . 0 0 "[ . 1 . 2]" 1
1481 2 17 PHE HA 2 21 MET QB . . 6.820 4.591 3.974 5.305 . 0 0 "[ . 1 . 2]" 1
1482 4 17 PHE HA 4 21 MET QB . . 6.820 4.635 3.860 5.408 . 0 0 "[ . 1 . 2]" 1
1483 1 4 GLU QB 1 6 LEU MD2 . . 5.040 3.360 2.192 4.377 . 0 0 "[ . 1 . 2]" 1
1484 3 4 GLU QB 3 6 LEU MD2 . . 5.040 3.377 2.067 4.374 . 0 0 "[ . 1 . 2]" 1
1485 1 4 GLU QB 1 6 LEU H . . 6.580 4.899 4.129 5.567 . 0 0 "[ . 1 . 2]" 1
1486 3 4 GLU QB 3 6 LEU H . . 6.580 4.849 4.205 5.273 . 0 0 "[ . 1 . 2]" 1
1487 1 12 GLY H 3 4 GLU QB . . 6.260 5.582 4.382 6.348 0.088 6 0 "[ . 1 . 2]" 1
1488 1 4 GLU QB 3 12 GLY H . . 6.260 5.639 4.424 6.348 0.088 6 0 "[ . 1 . 2]" 1
1489 1 10 VAL HA 1 11 ARG QB . . 6.630 4.403 3.858 4.653 . 0 0 "[ . 1 . 2]" 1
1490 3 10 VAL HA 3 11 ARG QB . . 6.630 4.340 3.937 4.617 . 0 0 "[ . 1 . 2]" 1
1491 1 10 VAL HA 1 11 ARG HB3 . . 6.470 4.657 4.221 5.742 . 0 0 "[ . 1 . 2]" 1
1492 3 10 VAL HA 3 11 ARG HB3 . . 6.470 4.582 4.320 5.815 . 0 0 "[ . 1 . 2]" 1
1493 1 48 HIS QB 1 51 LEU QD . . 6.700 4.345 3.436 5.435 . 0 0 "[ . 1 . 2]" 1
1494 3 48 HIS QB 3 51 LEU QD . . 6.700 4.484 3.877 5.712 . 0 0 "[ . 1 . 2]" 1
1495 1 23 LYS QD 3 8 LEU QD . . 5.860 3.113 2.343 4.274 . 0 0 "[ . 1 . 2]" 1
1496 1 8 LEU QD 3 23 LYS QD . . 5.860 3.121 2.022 4.755 . 0 0 "[ . 1 . 2]" 1
1497 1 8 LEU MD1 3 23 LYS HD2 . . 5.870 4.294 2.571 5.953 0.083 1 0 "[ . 1 . 2]" 1
1498 1 23 LYS HD2 3 8 LEU MD1 . . 5.870 4.166 2.421 5.931 0.061 1 0 "[ . 1 . 2]" 1
1499 1 35 HIS QB 1 38 GLU QB . . 6.650 4.246 3.416 4.780 . 0 0 "[ . 1 . 2]" 1
1500 3 35 HIS QB 3 38 GLU QB . . 6.650 4.240 3.455 4.893 . 0 0 "[ . 1 . 2]" 1
1501 1 35 HIS HB3 1 38 GLU QB . . 6.440 4.651 3.518 5.453 . 0 0 "[ . 1 . 2]" 1
1502 3 35 HIS HB3 3 38 GLU QB . . 6.440 4.610 3.579 5.566 . 0 0 "[ . 1 . 2]" 1
1503 1 35 HIS HB2 1 36 THR H . . 6.460 3.236 2.316 4.161 . 0 0 "[ . 1 . 2]" 1
1504 3 35 HIS HB2 3 36 THR H . . 6.460 3.210 2.440 3.918 . 0 0 "[ . 1 . 2]" 1
1505 1 35 HIS HB3 1 36 THR H . . 6.450 3.238 2.338 4.136 . 0 0 "[ . 1 . 2]" 1
1506 3 35 HIS HB3 3 36 THR H . . 6.450 3.267 2.331 3.993 . 0 0 "[ . 1 . 2]" 1
1507 1 19 LEU HA 1 22 ILE QG . . 6.860 4.433 3.847 4.877 . 0 0 "[ . 1 . 2]" 1
1508 3 19 LEU HA 3 22 ILE QG . . 6.860 4.351 3.967 4.857 . 0 0 "[ . 1 . 2]" 1
1509 1 22 ILE H 1 22 ILE HG13 . . 5.200 2.300 2.031 2.834 . 0 0 "[ . 1 . 2]" 1
1510 3 22 ILE H 3 22 ILE HG13 . . 5.200 2.300 2.145 2.632 . 0 0 "[ . 1 . 2]" 1
1511 2 33 VAL HA 2 34 PRO HG3 . . 5.720 4.632 4.509 4.821 . 0 0 "[ . 1 . 2]" 1
1512 4 33 VAL HA 4 34 PRO HG3 . . 5.720 4.609 4.491 4.727 . 0 0 "[ . 1 . 2]" 1
1513 1 15 THR HB 1 16 TYR H . . 5.080 2.565 2.232 3.164 . 0 0 "[ . 1 . 2]" 1
1514 3 15 THR HB 3 16 TYR H . . 5.080 2.644 2.299 3.088 . 0 0 "[ . 1 . 2]" 1
1515 1 11 ARG QG 3 5 LEU HA . . 6.630 3.816 1.921 4.500 . 0 0 "[ . 1 . 2]" 1
1516 1 5 LEU HA 3 11 ARG QG . . 6.630 3.892 1.958 4.848 . 0 0 "[ . 1 . 2]" 1
1517 1 3 ASP QB 3 11 ARG QG . . 6.060 4.361 3.083 5.658 . 0 0 "[ . 1 . 2]" 1
1518 1 11 ARG QG 3 3 ASP QB . . 6.060 4.509 2.921 5.868 . 0 0 "[ . 1 . 2]" 1
1519 1 29 MET HA 1 32 LEU HG . . 5.910 5.187 2.524 5.989 0.079 6 0 "[ . 1 . 2]" 1
1520 3 29 MET HA 3 32 LEU HG . . 5.910 5.310 2.391 5.991 0.081 4 0 "[ . 1 . 2]" 1
1521 1 23 LYS QE 3 8 LEU MD1 . . 5.140 3.776 2.130 5.246 0.106 1 0 "[ . 1 . 2]" 1
1522 1 8 LEU MD1 3 23 LYS QE . . 5.140 3.763 2.002 5.247 0.107 3 0 "[ . 1 . 2]" 1
1523 1 16 TYR QD 3 8 LEU MD1 . . 5.730 4.071 2.771 5.575 . 0 0 "[ . 1 . 2]" 1
1524 1 8 LEU MD1 3 16 TYR QD . . 5.730 4.113 2.488 5.818 0.088 19 0 "[ . 1 . 2]" 1
1525 1 16 TYR QE 3 8 LEU MD1 . . 5.520 3.222 2.231 4.626 . 0 0 "[ . 1 . 2]" 1
1526 1 8 LEU MD1 3 16 TYR QE . . 5.520 3.248 2.203 4.820 . 0 0 "[ . 1 . 2]" 1
1527 1 13 ARG QG 1 17 GLU HG3 . . 6.240 4.426 3.079 6.321 0.081 10 0 "[ . 1 . 2]" 1
1528 3 13 ARG QG 3 17 GLU HG3 . . 6.240 4.460 3.345 6.338 0.098 10 0 "[ . 1 . 2]" 1
1529 1 13 ARG QG 1 17 GLU QG . . 5.790 4.191 2.921 5.562 . 0 0 "[ . 1 . 2]" 1
1530 3 13 ARG QG 3 17 GLU QG . . 5.790 4.236 3.276 5.631 . 0 0 "[ . 1 . 2]" 1
1531 1 13 ARG QG 1 14 GLU HA . . 5.750 4.552 3.195 5.830 0.080 16 0 "[ . 1 . 2]" 1
1532 3 13 ARG QG 3 14 GLU HA . . 5.750 4.669 3.474 5.821 0.071 10 0 "[ . 1 . 2]" 1
1533 1 40 TYR QE 2 32 LEU HG . . 6.460 5.920 4.840 6.560 0.100 7 0 "[ . 1 . 2]" 1
1534 3 40 TYR QE 4 32 LEU HG . . 6.460 5.696 4.147 6.560 0.100 5 0 "[ . 1 . 2]" 1
1535 1 52 LEU H 1 52 LEU HG . . 5.120 4.121 2.683 4.598 . 0 0 "[ . 1 . 2]" 1
1536 3 52 LEU H 3 52 LEU HG . . 5.120 4.102 2.464 4.606 . 0 0 "[ . 1 . 2]" 1
1537 1 25 SER HA 1 28 LEU QD . . 6.610 4.077 2.675 5.254 . 0 0 "[ . 1 . 2]" 1
1538 3 25 SER HA 3 28 LEU QD . . 6.610 4.089 2.691 5.018 . 0 0 "[ . 1 . 2]" 1
1539 1 28 LEU H 1 28 LEU MD1 . . 5.570 3.841 2.262 4.325 . 0 0 "[ . 1 . 2]" 1
1540 3 28 LEU H 3 28 LEU MD1 . . 5.570 3.899 3.251 4.308 . 0 0 "[ . 1 . 2]" 1
1541 1 15 THR HA 1 18 MET QG . . 5.860 4.417 2.160 5.848 . 0 0 "[ . 1 . 2]" 1
1542 3 15 THR HA 3 18 MET QG . . 5.860 4.393 2.191 5.582 . 0 0 "[ . 1 . 2]" 1
1543 1 14 GLU QB 1 15 THR HA . . 6.350 4.045 3.798 4.619 . 0 0 "[ . 1 . 2]" 1
1544 3 14 GLU QB 3 15 THR HA . . 6.350 4.019 3.646 4.540 . 0 0 "[ . 1 . 2]" 1
1545 1 37 ILE HA 1 40 TYR QB . . 5.960 2.625 2.263 3.226 . 0 0 "[ . 1 . 2]" 1
1546 3 37 ILE HA 3 40 TYR QB . . 5.960 2.588 2.115 3.093 . 0 0 "[ . 1 . 2]" 1
1547 1 37 ILE HA 1 40 TYR HB3 . . 5.840 2.976 2.317 4.135 . 0 0 "[ . 1 . 2]" 1
1548 3 37 ILE HA 3 40 TYR HB3 . . 5.840 2.949 2.155 3.905 . 0 0 "[ . 1 . 2]" 1
1549 1 37 ILE HA 1 40 TYR QD . . 6.190 4.028 2.822 5.157 . 0 0 "[ . 1 . 2]" 1
1550 3 37 ILE HA 3 40 TYR QD . . 6.190 3.905 2.542 4.678 . 0 0 "[ . 1 . 2]" 1
1551 1 8 LEU QD 3 23 LYS QE . . 5.490 3.219 1.869 4.840 . 0 0 "[ . 1 . 2]" 1
1552 1 23 LYS QE 3 8 LEU QD . . 5.490 3.203 1.974 4.574 . 0 0 "[ . 1 . 2]" 1
1553 1 8 LEU QD 3 20 LEU HA . . 5.610 3.306 2.387 4.072 . 0 0 "[ . 1 . 2]" 1
1554 1 20 LEU HA 3 8 LEU QD . . 5.610 3.314 2.396 3.912 . 0 0 "[ . 1 . 2]" 1
1555 1 8 LEU QD 3 16 TYR QD . . 5.820 3.265 2.206 4.162 . 0 0 "[ . 1 . 2]" 1
1556 1 16 TYR QD 3 8 LEU QD . . 5.820 3.129 2.174 3.989 . 0 0 "[ . 1 . 2]" 1
1557 1 16 TYR QE 3 8 LEU QD . . 5.640 2.478 2.006 3.443 . 0 0 "[ . 1 . 2]" 1
1558 1 8 LEU QD 3 16 TYR QE . . 5.640 2.760 2.085 3.643 . 0 0 "[ . 1 . 2]" 1
1559 1 20 LEU H 3 8 LEU QD . . 6.000 4.145 3.435 4.742 . 0 0 "[ . 1 . 2]" 1
1560 1 8 LEU QD 3 20 LEU H . . 6.000 4.100 3.017 4.789 . 0 0 "[ . 1 . 2]" 1
1561 1 15 THR MG 3 23 LYS QG . . 5.730 3.220 2.092 4.222 . 0 0 "[ . 1 . 2]" 1
1562 1 23 LYS QG 3 15 THR MG . . 5.730 3.267 2.115 4.250 . 0 0 "[ . 1 . 2]" 1
1563 1 4 GLU QB 1 6 LEU QD . . 5.290 2.836 2.188 3.600 . 0 0 "[ . 1 . 2]" 1
1564 3 4 GLU QB 3 6 LEU QD . . 5.290 2.722 2.043 3.635 . 0 0 "[ . 1 . 2]" 1
1565 1 6 LEU QD 3 16 TYR QD . . 5.380 2.962 2.388 3.770 . 0 0 "[ . 1 . 2]" 1
1566 1 16 TYR QD 3 6 LEU QD . . 5.380 2.910 2.457 3.723 . 0 0 "[ . 1 . 2]" 1
1567 1 16 TYR QE 3 6 LEU MD1 . . 5.350 3.713 2.243 5.213 . 0 0 "[ . 1 . 2]" 1
1568 1 6 LEU MD1 3 16 TYR QE . . 5.350 3.599 2.597 5.400 0.050 12 0 "[ . 1 . 2]" 1
1569 1 5 LEU QD 1 7 TYR QD . . 5.800 3.973 2.921 4.888 . 0 0 "[ . 1 . 2]" 1
1570 3 5 LEU QD 3 7 TYR QD . . 5.800 3.979 3.260 4.648 . 0 0 "[ . 1 . 2]" 1
1571 1 5 LEU QD 1 6 LEU H . . 6.270 3.195 2.278 3.949 . 0 0 "[ . 1 . 2]" 1
1572 3 5 LEU QD 3 6 LEU H . . 6.270 3.362 2.447 3.939 . 0 0 "[ . 1 . 2]" 1
1573 1 10 VAL H 3 5 LEU QD . . 5.320 3.890 2.908 4.810 . 0 0 "[ . 1 . 2]" 1
1574 1 5 LEU QD 3 10 VAL H . . 5.320 3.733 2.714 5.063 . 0 0 "[ . 1 . 2]" 1
1575 1 5 LEU H 1 5 LEU MD1 . . 5.550 4.132 3.670 4.348 . 0 0 "[ . 1 . 2]" 1
1576 3 5 LEU H 3 5 LEU MD1 . . 5.550 4.165 3.902 4.368 . 0 0 "[ . 1 . 2]" 1
1577 1 25 SER HA 1 28 LEU MD2 . . 6.800 4.580 3.252 5.734 . 0 0 "[ . 1 . 2]" 1
1578 3 25 SER HA 3 28 LEU MD2 . . 6.800 4.685 3.843 5.858 . 0 0 "[ . 1 . 2]" 1
1579 1 6 LEU H 1 6 LEU MD2 . . 5.240 3.786 2.567 4.332 . 0 0 "[ . 1 . 2]" 1
1580 3 6 LEU H 3 6 LEU MD2 . . 5.240 3.894 2.570 4.343 . 0 0 "[ . 1 . 2]" 1
1581 1 15 THR MG 1 19 LEU QD . . 3.820 2.554 1.996 3.960 0.140 5 0 "[ . 1 . 2]" 1
1582 3 15 THR MG 3 19 LEU QD . . 3.820 2.687 2.076 3.963 0.143 9 0 "[ . 1 . 2]" 1
1583 1 15 THR MG 3 26 LEU HG . . 6.700 5.574 3.568 6.768 0.068 19 0 "[ . 1 . 2]" 1
1584 1 26 LEU HG 3 15 THR MG . . 6.700 5.259 3.400 6.787 0.087 8 0 "[ . 1 . 2]" 1
1585 1 15 THR MG 1 19 LEU QB . . 6.620 3.573 2.884 4.329 . 0 0 "[ . 1 . 2]" 1
1586 3 15 THR MG 3 19 LEU QB . . 6.620 3.780 2.987 4.557 . 0 0 "[ . 1 . 2]" 1
1587 1 15 THR MG 1 16 TYR H . . 5.360 3.759 3.374 4.330 . 0 0 "[ . 1 . 2]" 1
1588 3 15 THR MG 3 16 TYR H . . 5.360 3.868 3.436 4.288 . 0 0 "[ . 1 . 2]" 1
1589 1 15 THR MG 1 19 LEU H . . 5.570 4.256 3.942 4.660 . 0 0 "[ . 1 . 2]" 1
1590 3 15 THR MG 3 19 LEU H . . 5.570 4.397 4.056 5.077 . 0 0 "[ . 1 . 2]" 1
1591 1 36 THR MG 1 37 ILE HA . . 6.730 4.119 3.274 5.282 . 0 0 "[ . 1 . 2]" 1
1592 3 36 THR MG 3 37 ILE HA . . 6.730 4.179 3.510 5.253 . 0 0 "[ . 1 . 2]" 1
1593 1 36 THR MG 1 37 ILE MD . . 4.780 3.908 2.797 4.895 0.115 17 0 "[ . 1 . 2]" 1
1594 3 36 THR MG 3 37 ILE MD . . 4.780 3.961 2.692 4.897 0.117 9 0 "[ . 1 . 2]" 1
1595 1 19 LEU HA 1 19 LEU QD . . 3.860 2.309 1.980 3.093 . 0 0 "[ . 1 . 2]" 1
1596 3 19 LEU HA 3 19 LEU QD . . 3.860 2.315 1.978 3.088 . 0 0 "[ . 1 . 2]" 1
1597 1 10 VAL QG 1 12 GLY QA . . 6.520 3.535 3.291 3.767 . 0 0 "[ . 1 . 2]" 1
1598 3 10 VAL QG 3 12 GLY QA . . 6.520 3.556 3.138 4.003 . 0 0 "[ . 1 . 2]" 1
1599 1 10 VAL QG 1 15 THR HB . . 4.370 3.174 2.871 3.527 . 0 0 "[ . 1 . 2]" 1
1600 3 10 VAL QG 3 15 THR HB . . 4.370 3.182 2.829 3.642 . 0 0 "[ . 1 . 2]" 1
1601 1 10 VAL QG 1 16 TYR H . . 4.620 4.446 4.040 4.723 0.103 14 0 "[ . 1 . 2]" 1
1602 3 10 VAL QG 3 16 TYR H . . 4.620 4.495 3.789 4.732 0.112 4 0 "[ . 1 . 2]" 1
1603 1 34 GLN HB3 1 36 THR H . . 6.350 4.302 2.518 6.129 . 0 0 "[ . 1 . 2]" 1
1604 3 34 GLN HB3 3 36 THR H . . 6.350 4.237 2.590 6.069 . 0 0 "[ . 1 . 2]" 1
1605 1 34 GLN QB 1 36 THR H . . 6.320 3.975 2.268 5.641 . 0 0 "[ . 1 . 2]" 1
1606 3 34 GLN QB 3 36 THR H . . 6.320 3.950 2.571 5.612 . 0 0 "[ . 1 . 2]" 1
1607 1 5 LEU HG 1 6 LEU H . . 4.820 3.644 2.617 4.132 . 0 0 "[ . 1 . 2]" 1
1608 3 5 LEU HG 3 6 LEU H . . 4.820 3.571 2.995 4.091 . 0 0 "[ . 1 . 2]" 1
1609 1 5 LEU HG 1 7 TYR H . . 6.250 5.819 5.144 6.305 0.055 19 0 "[ . 1 . 2]" 1
1610 3 5 LEU HG 3 7 TYR H . . 6.250 5.702 4.944 6.318 0.068 14 0 "[ . 1 . 2]" 1
1611 1 5 LEU H 1 5 LEU HG . . 5.190 4.466 4.354 4.622 . 0 0 "[ . 1 . 2]" 1
1612 3 5 LEU H 3 5 LEU HG . . 5.190 4.458 4.378 4.564 . 0 0 "[ . 1 . 2]" 1
1613 1 39 THR MG 1 42 GLN H . . 5.680 4.915 4.663 5.244 . 0 0 "[ . 1 . 2]" 1
1614 3 39 THR MG 3 42 GLN H . . 5.680 4.914 4.478 5.243 . 0 0 "[ . 1 . 2]" 1
1615 1 39 THR H 1 39 THR MG . . 4.670 3.658 2.371 3.789 . 0 0 "[ . 1 . 2]" 1
1616 3 39 THR H 3 39 THR MG . . 4.670 3.648 2.357 3.782 . 0 0 "[ . 1 . 2]" 1
1617 1 39 THR MG 1 43 GLN H . . 5.540 4.003 3.642 5.386 . 0 0 "[ . 1 . 2]" 1
1618 3 39 THR MG 3 43 GLN H . . 5.540 4.109 3.803 5.301 . 0 0 "[ . 1 . 2]" 1
1619 1 39 THR MG 1 40 TYR H . . 4.850 3.703 3.222 4.127 . 0 0 "[ . 1 . 2]" 1
1620 3 39 THR MG 3 40 TYR H . . 4.850 3.760 3.474 4.286 . 0 0 "[ . 1 . 2]" 1
1621 1 37 ILE H 1 37 ILE HG12 . . 5.650 2.961 1.912 3.918 . 0 0 "[ . 1 . 2]" 1
1622 3 37 ILE H 3 37 ILE HG12 . . 5.650 2.933 1.868 3.921 . 0 0 "[ . 1 . 2]" 1
1623 1 36 THR HA 1 39 THR HB . . 5.440 3.300 2.421 4.868 . 0 0 "[ . 1 . 2]" 1
1624 3 36 THR HA 3 39 THR HB . . 5.440 3.308 2.741 4.991 . 0 0 "[ . 1 . 2]" 1
1625 1 39 THR HB 1 40 TYR H . . 5.000 2.681 2.338 3.478 . 0 0 "[ . 1 . 2]" 1
1626 3 39 THR HB 3 40 TYR H . . 5.000 2.749 2.318 3.579 . 0 0 "[ . 1 . 2]" 1
1627 1 29 MET HA 1 37 ILE MD . . 6.000 3.914 2.402 5.353 . 0 0 "[ . 1 . 2]" 1
1628 3 29 MET HA 3 37 ILE MD . . 6.000 3.972 2.338 5.078 . 0 0 "[ . 1 . 2]" 1
1629 1 32 LEU H 1 37 ILE MD . . 6.860 5.807 4.250 6.948 0.088 13 0 "[ . 1 . 2]" 1
1630 3 32 LEU H 3 37 ILE MD . . 6.860 5.949 4.291 6.955 0.095 13 0 "[ . 1 . 2]" 1
1631 1 4 GLU QB 1 6 LEU HA . . 6.420 5.309 4.700 5.938 . 0 0 "[ . 1 . 2]" 1
1632 3 4 GLU QB 3 6 LEU HA . . 6.420 5.247 4.482 5.917 . 0 0 "[ . 1 . 2]" 1
1633 1 16 TYR QD 3 6 LEU MD2 . . 5.120 3.827 2.734 4.563 . 0 0 "[ . 1 . 2]" 1
1634 1 6 LEU MD2 3 16 TYR QD . . 5.120 4.152 2.856 5.185 0.065 8 0 "[ . 1 . 2]" 1
1635 1 20 LEU H 3 8 LEU MD1 . . 5.800 4.928 3.700 5.864 0.064 5 0 "[ . 1 . 2]" 1
1636 1 8 LEU MD1 3 20 LEU H . . 5.800 4.867 3.061 5.859 0.059 2 0 "[ . 1 . 2]" 1
1637 1 19 LEU H 3 8 LEU QD . . 6.740 5.350 4.328 6.071 . 0 0 "[ . 1 . 2]" 1
1638 1 8 LEU QD 3 19 LEU H . . 6.740 5.311 4.376 5.974 . 0 0 "[ . 1 . 2]" 1
1639 1 6 LEU H 3 10 VAL HB . . 6.130 5.055 4.720 5.413 . 0 0 "[ . 1 . 2]" 1
1640 1 10 VAL HB 3 6 LEU H . . 6.130 5.055 4.592 5.446 . 0 0 "[ . 1 . 2]" 1
1641 1 10 VAL HB 1 16 TYR HB2 . . 5.970 4.928 4.314 5.570 . 0 0 "[ . 1 . 2]" 1
1642 3 10 VAL HB 3 16 TYR HB2 . . 5.970 4.801 3.948 5.697 . 0 0 "[ . 1 . 2]" 1
1643 1 10 VAL QG 1 11 ARG H . . 4.440 2.260 2.104 2.494 . 0 0 "[ . 1 . 2]" 1
1644 3 10 VAL QG 3 11 ARG H . . 4.440 2.207 2.022 2.385 . 0 0 "[ . 1 . 2]" 1
1645 1 10 VAL QG 1 16 TYR QD . . 5.850 4.264 3.527 4.740 . 0 0 "[ . 1 . 2]" 1
1646 3 10 VAL QG 3 16 TYR QD . . 5.850 4.127 3.484 4.799 . 0 0 "[ . 1 . 2]" 1
1647 1 10 VAL QG 1 16 TYR HB2 . . 4.600 4.298 3.672 4.612 0.012 4 0 "[ . 1 . 2]" 1
1648 3 10 VAL QG 3 16 TYR HB2 . . 4.600 4.251 3.337 4.609 0.009 16 0 "[ . 1 . 2]" 1
1649 1 10 VAL QG 1 16 TYR HB3 . . 5.680 5.557 4.884 5.787 0.107 18 0 "[ . 1 . 2]" 1
1650 3 10 VAL QG 3 16 TYR HB3 . . 5.680 5.513 4.755 5.782 0.102 7 0 "[ . 1 . 2]" 1
1651 1 10 VAL QG 3 23 LYS QD . . 5.370 2.713 1.977 3.669 . 0 0 "[ . 1 . 2]" 1
1652 1 23 LYS QD 3 10 VAL QG . . 5.370 2.693 1.876 3.785 . 0 0 "[ . 1 . 2]" 1
1653 1 10 VAL QG 1 19 LEU H . . 6.440 5.872 5.230 6.390 . 0 0 "[ . 1 . 2]" 1
1654 3 10 VAL QG 3 19 LEU H . . 6.440 5.957 5.450 6.472 0.032 3 0 "[ . 1 . 2]" 1
1655 1 10 VAL QG 1 15 THR MG . . 3.710 2.519 1.978 3.793 0.083 14 0 "[ . 1 . 2]" 1
1656 3 10 VAL QG 3 15 THR MG . . 3.710 2.684 1.989 3.839 0.129 12 0 "[ . 1 . 2]" 1
1657 1 23 LYS QB 3 19 LEU HG . . 6.190 4.679 3.597 6.290 0.100 13 0 "[ . 1 . 2]" 1
1658 1 19 LEU HG 3 23 LYS QB . . 6.190 4.581 3.490 6.071 . 0 0 "[ . 1 . 2]" 1
1659 1 23 LYS QB 3 19 LEU QD . . 4.770 2.538 1.928 3.356 . 0 0 "[ . 1 . 2]" 1
1660 1 19 LEU QD 3 23 LYS QB . . 4.770 2.473 1.936 3.591 . 0 0 "[ . 1 . 2]" 1
1661 1 21 GLU QB 1 22 ILE HB . . 6.750 4.567 4.209 4.914 . 0 0 "[ . 1 . 2]" 1
1662 3 21 GLU QB 3 22 ILE HB . . 6.750 4.517 4.168 4.730 . 0 0 "[ . 1 . 2]" 1
1663 1 22 ILE HB 1 23 LYS QB . . 6.380 4.276 3.910 4.722 . 0 0 "[ . 1 . 2]" 1
1664 3 22 ILE HB 3 23 LYS QB . . 6.380 4.239 3.978 4.508 . 0 0 "[ . 1 . 2]" 1
1665 1 22 ILE HG12 1 23 LYS H . . 6.440 5.154 4.996 5.319 . 0 0 "[ . 1 . 2]" 1
1666 3 22 ILE HG12 3 23 LYS H . . 6.440 5.143 5.040 5.278 . 0 0 "[ . 1 . 2]" 1
1667 1 22 ILE HG13 1 23 LYS H . . 6.440 4.478 4.239 4.709 . 0 0 "[ . 1 . 2]" 1
1668 3 22 ILE HG13 3 23 LYS H . . 6.440 4.492 4.306 4.735 . 0 0 "[ . 1 . 2]" 1
1669 1 19 LEU H 3 8 LEU MD2 . . 6.420 5.920 5.126 6.493 0.073 7 0 "[ . 1 . 2]" 1
1670 1 8 LEU MD2 3 19 LEU H . . 6.420 5.977 5.153 6.510 0.090 1 0 "[ . 1 . 2]" 1
1671 1 28 LEU HA 2 41 TYR QE . . 6.060 5.658 4.632 6.154 0.094 18 0 "[ . 1 . 2]" 1
1672 3 28 LEU HA 4 41 TYR QE . . 6.060 5.647 4.586 6.149 0.089 4 0 "[ . 1 . 2]" 1
1673 1 40 TYR QE 2 32 LEU QD . . 5.840 3.217 2.182 3.917 . 0 0 "[ . 1 . 2]" 1
1674 3 40 TYR QE 4 32 LEU QD . . 5.840 3.147 2.108 4.186 . 0 0 "[ . 1 . 2]" 1
1675 1 8 LEU HA 3 16 TYR QE . . 4.870 3.797 2.994 4.517 . 0 0 "[ . 1 . 2]" 1
1676 1 16 TYR QE 3 8 LEU HA . . 4.870 3.884 2.839 4.966 0.096 16 0 "[ . 1 . 2]" 1
1677 1 16 TYR QE 1 20 LEU QD . . 4.720 2.615 2.143 3.192 . 0 0 "[ . 1 . 2]" 1
1678 3 16 TYR QE 3 20 LEU QD . . 4.720 2.388 2.025 2.913 . 0 0 "[ . 1 . 2]" 1
1679 1 49 GLN HA 1 50 HIS HD2 . . 6.680 5.885 4.771 6.763 0.083 6 0 "[ . 1 . 2]" 1
1680 3 49 GLN HA 3 50 HIS HD2 . . 6.680 5.983 4.644 6.760 0.080 10 0 "[ . 1 . 2]" 1
1681 1 49 GLN QB 1 50 HIS HD2 . . 6.570 3.969 2.264 5.767 . 0 0 "[ . 1 . 2]" 1
1682 3 49 GLN QB 3 50 HIS HD2 . . 6.570 4.092 2.325 6.645 0.075 10 0 "[ . 1 . 2]" 1
1683 1 48 HIS HA 1 48 HIS HD2 . . 5.110 3.132 2.298 4.595 . 0 0 "[ . 1 . 2]" 1
1684 3 48 HIS HA 3 48 HIS HD2 . . 5.110 3.189 2.214 4.389 . 0 0 "[ . 1 . 2]" 1
1685 1 16 TYR H 1 16 TYR QD . . 5.200 4.184 4.101 4.269 . 0 0 "[ . 1 . 2]" 1
1686 3 16 TYR H 3 16 TYR QD . . 5.200 4.189 4.101 4.249 . 0 0 "[ . 1 . 2]" 1
1687 1 16 TYR QD 1 17 GLU HA . . 4.810 3.780 2.998 4.737 . 0 0 "[ . 1 . 2]" 1
1688 3 16 TYR QD 3 17 GLU HA . . 4.810 3.339 2.837 4.336 . 0 0 "[ . 1 . 2]" 1
1689 1 10 VAL HB 1 16 TYR QD . . 4.640 4.199 3.204 4.747 0.107 17 0 "[ . 1 . 2]" 1
1690 3 10 VAL HB 3 16 TYR QD . . 4.640 3.914 2.901 4.721 0.081 6 0 "[ . 1 . 2]" 1
1691 1 13 ARG QG 1 16 TYR QD . . 6.440 5.773 5.013 6.496 0.056 8 0 "[ . 1 . 2]" 1
1692 3 13 ARG QG 3 16 TYR QD . . 6.440 6.001 5.014 6.519 0.079 20 0 "[ . 1 . 2]" 1
1693 1 16 TYR QD 1 20 LEU HG . . 6.760 4.760 3.562 5.764 . 0 0 "[ . 1 . 2]" 1
1694 3 16 TYR QD 3 20 LEU HG . . 6.760 4.921 4.084 5.886 . 0 0 "[ . 1 . 2]" 1
1695 1 6 LEU QB 3 16 TYR QD . . 5.810 2.974 2.441 4.207 . 0 0 "[ . 1 . 2]" 1
1696 1 16 TYR QD 3 6 LEU QB . . 5.810 3.252 2.345 4.669 . 0 0 "[ . 1 . 2]" 1
1697 1 16 TYR QD 1 20 LEU QD . . 5.790 3.453 2.440 3.974 . 0 0 "[ . 1 . 2]" 1
1698 3 16 TYR QD 3 20 LEU QD . . 5.790 3.333 2.705 3.710 . 0 0 "[ . 1 . 2]" 1
1699 1 30 GLN QG 1 31 TYR QD . . 6.540 4.822 4.023 5.749 . 0 0 "[ . 1 . 2]" 1
1700 3 30 GLN QG 3 31 TYR QD . . 6.540 4.791 3.155 5.628 . 0 0 "[ . 1 . 2]" 1
1701 1 30 GLN QB 1 31 TYR QD . . 6.870 4.634 2.666 6.351 . 0 0 "[ . 1 . 2]" 1
1702 3 30 GLN QB 3 31 TYR QD . . 6.870 4.658 3.050 6.277 . 0 0 "[ . 1 . 2]" 1
1703 1 31 TYR QD 2 38 VAL QG . . 6.580 6.107 4.201 6.697 0.117 18 0 "[ . 1 . 2]" 1
1704 3 31 TYR QD 4 38 VAL QG . . 6.580 6.121 4.933 6.636 0.056 8 0 "[ . 1 . 2]" 1
1705 1 40 TYR QD 1 41 ARG HA . . 5.360 4.083 2.591 5.437 0.077 6 0 "[ . 1 . 2]" 1
1706 3 40 TYR QD 3 41 ARG HA . . 5.360 4.009 2.578 5.437 0.077 6 0 "[ . 1 . 2]" 1
1707 1 40 TYR QD 2 25 GLU QG . . 6.750 4.139 2.167 5.941 . 0 0 "[ . 1 . 2]" 1
1708 3 40 TYR QD 4 25 GLU QG . . 6.750 4.423 2.267 6.453 . 0 0 "[ . 1 . 2]" 1
1709 1 40 TYR QD 1 41 ARG QG . . 6.830 5.155 2.509 6.675 . 0 0 "[ . 1 . 2]" 1
1710 3 40 TYR QD 3 41 ARG QG . . 6.830 5.122 2.060 6.654 . 0 0 "[ . 1 . 2]" 1
1711 1 5 LEU HG 1 7 TYR QE . . 5.150 3.828 2.908 5.161 0.011 6 0 "[ . 1 . 2]" 1
1712 3 5 LEU HG 3 7 TYR QE . . 5.150 4.014 2.795 5.053 . 0 0 "[ . 1 . 2]" 1
1713 1 28 LEU QB 2 41 TYR QE . . 6.830 5.980 4.193 6.906 0.076 4 0 "[ . 1 . 2]" 1
1714 3 28 LEU QB 4 41 TYR QE . . 6.830 6.022 5.252 6.915 0.085 4 0 "[ . 1 . 2]" 1
1715 1 6 LEU MD2 3 16 TYR QE . . 5.360 3.928 2.741 5.080 . 0 0 "[ . 1 . 2]" 1
1716 1 16 TYR QE 3 6 LEU MD2 . . 5.360 3.615 2.898 4.845 . 0 0 "[ . 1 . 2]" 1
1717 1 5 LEU MD2 1 7 TYR QE . . 4.820 3.008 2.321 3.935 . 0 0 "[ . 1 . 2]" 1
1718 3 5 LEU MD2 3 7 TYR QE . . 4.820 3.013 2.557 3.960 . 0 0 "[ . 1 . 2]" 1
1719 1 5 LEU QD 1 7 TYR QE . . 5.150 2.924 2.313 3.831 . 0 0 "[ . 1 . 2]" 1
1720 3 5 LEU QD 3 7 TYR QE . . 5.150 2.944 2.537 3.806 . 0 0 "[ . 1 . 2]" 1
1721 1 7 TYR QB 3 7 TYR QE . . 6.770 4.533 3.363 5.088 . 0 0 "[ . 1 . 2]" 1
1722 1 7 TYR QE 3 7 TYR QB . . 6.770 4.769 2.851 5.847 . 0 0 "[ . 1 . 2]" 1
1723 1 9 PRO HA 3 7 TYR QD . . 5.830 2.974 2.424 3.486 . 0 0 "[ . 1 . 2]" 1
1724 1 7 TYR QD 3 9 PRO HA . . 5.830 3.048 2.096 3.865 . 0 0 "[ . 1 . 2]" 1
1725 1 7 TYR H 1 7 TYR QD . . 4.540 3.100 2.471 4.014 . 0 0 "[ . 1 . 2]" 1
1726 3 7 TYR H 3 7 TYR QD . . 4.540 3.186 2.714 3.701 . 0 0 "[ . 1 . 2]" 1
1727 1 10 VAL H 3 7 TYR QD . . 5.610 4.888 4.336 5.490 . 0 0 "[ . 1 . 2]" 1
1728 1 7 TYR QD 3 10 VAL H . . 5.610 4.887 4.023 5.570 . 0 0 "[ . 1 . 2]" 1
1729 1 7 TYR QD 1 8 LEU H . . 6.380 4.230 3.421 5.003 . 0 0 "[ . 1 . 2]" 1
1730 3 7 TYR QD 3 8 LEU H . . 6.380 4.099 3.516 4.733 . 0 0 "[ . 1 . 2]" 1
1731 1 16 TYR QD 1 17 GLU H . . 4.980 3.753 3.060 4.532 . 0 0 "[ . 1 . 2]" 1
1732 3 16 TYR QD 3 17 GLU H . . 4.980 3.465 2.890 4.223 . 0 0 "[ . 1 . 2]" 1
1733 1 28 LEU H 1 31 TYR QD . . 6.440 5.554 4.079 6.516 0.076 8 0 "[ . 1 . 2]" 1
1734 3 28 LEU H 3 31 TYR QD . . 6.440 5.569 4.108 6.521 0.081 13 0 "[ . 1 . 2]" 1
1735 1 31 TYR H 1 31 TYR QD . . 4.720 3.659 2.431 4.301 . 0 0 "[ . 1 . 2]" 1
1736 3 31 TYR H 3 31 TYR QD . . 4.720 3.615 2.748 4.281 . 0 0 "[ . 1 . 2]" 1
1737 1 31 TYR HA 1 31 TYR QD . . 4.560 2.722 2.122 3.160 . 0 0 "[ . 1 . 2]" 1
1738 3 31 TYR HA 3 31 TYR QD . . 4.560 2.783 2.240 3.309 . 0 0 "[ . 1 . 2]" 1
1739 1 28 LEU HA 1 31 TYR QD . . 4.610 3.951 2.541 4.683 0.073 13 0 "[ . 1 . 2]" 1
1740 3 28 LEU HA 3 31 TYR QD . . 4.610 3.893 2.408 4.688 0.078 2 0 "[ . 1 . 2]" 1
1741 1 28 LEU QD 1 31 TYR QD . . 5.820 3.653 2.309 5.255 . 0 0 "[ . 1 . 2]" 1
1742 3 28 LEU QD 3 31 TYR QD . . 5.820 3.551 2.211 4.656 . 0 0 "[ . 1 . 2]" 1
1743 1 48 HIS HD2 1 51 LEU QD . . 5.120 3.946 2.174 5.230 0.110 4 0 "[ . 1 . 2]" 1
1744 3 48 HIS HD2 3 51 LEU QD . . 5.120 4.069 2.179 5.218 0.098 4 0 "[ . 1 . 2]" 1
1745 1 48 HIS HD2 1 49 GLN HA . . 6.800 5.686 3.377 6.870 0.070 17 0 "[ . 1 . 2]" 1
1746 3 48 HIS HD2 3 49 GLN HA . . 6.800 5.543 2.940 6.864 0.064 13 0 "[ . 1 . 2]" 1
1747 1 40 TYR QD 1 41 ARG H . . 4.930 3.879 2.975 4.612 . 0 0 "[ . 1 . 2]" 1
1748 3 40 TYR QD 3 41 ARG H . . 4.930 3.813 2.696 4.613 . 0 0 "[ . 1 . 2]" 1
1749 1 40 TYR H 1 40 TYR QD . . 5.010 3.910 2.423 4.300 . 0 0 "[ . 1 . 2]" 1
1750 3 40 TYR H 3 40 TYR QD . . 5.010 3.917 2.635 4.276 . 0 0 "[ . 1 . 2]" 1
1751 1 9 PRO QD 3 16 TYR QE . . 6.790 4.844 4.111 5.294 . 0 0 "[ . 1 . 2]" 1
1752 1 16 TYR QE 3 9 PRO QD . . 6.790 4.860 3.668 5.907 . 0 0 "[ . 1 . 2]" 1
1753 1 8 LEU H 3 16 TYR QE . . 5.710 4.778 3.312 5.797 0.087 13 0 "[ . 1 . 2]" 1
1754 1 16 TYR QE 3 8 LEU H . . 5.710 5.086 3.577 5.792 0.082 9 0 "[ . 1 . 2]" 1
1755 1 10 VAL H 3 7 TYR QE . . 6.420 5.925 5.555 6.364 . 0 0 "[ . 1 . 2]" 1
1756 1 7 TYR QE 3 10 VAL H . . 6.420 5.848 4.985 6.411 . 0 0 "[ . 1 . 2]" 1
1757 1 31 TYR H 2 37 LEU QD . . 6.200 5.481 4.685 6.163 . 0 0 "[ . 1 . 2]" 1
1758 3 31 TYR H 4 37 LEU QD . . 6.200 5.531 4.416 6.272 0.072 1 0 "[ . 1 . 2]" 1
1759 1 28 LEU H 2 41 TYR QD . . 6.250 6.058 5.073 6.337 0.087 10 0 "[ . 1 . 2]" 1
1760 3 28 LEU H 4 41 TYR QD . . 6.250 5.990 4.828 6.320 0.070 15 0 "[ . 1 . 2]" 1
1761 1 28 LEU H 2 41 TYR QE . . 6.110 5.786 4.710 6.196 0.086 17 0 "[ . 1 . 2]" 1
1762 3 28 LEU H 4 41 TYR QE . . 6.110 5.795 4.712 6.177 0.067 6 0 "[ . 1 . 2]" 1
1763 1 32 LEU H 2 37 LEU QD . . 6.700 4.661 3.181 5.545 . 0 0 "[ . 1 . 2]" 1
1764 3 32 LEU H 4 37 LEU QD . . 6.700 4.722 3.072 5.659 . 0 0 "[ . 1 . 2]" 1
1765 1 28 LEU H 2 38 VAL QG . . 6.590 4.601 3.544 5.092 . 0 0 "[ . 1 . 2]" 1
1766 3 28 LEU H 4 38 VAL QG . . 6.590 4.623 3.782 4.999 . 0 0 "[ . 1 . 2]" 1
1767 1 28 LEU H 2 30 MET ME . . 5.770 5.334 4.306 5.868 0.098 15 0 "[ . 1 . 2]" 1
1768 3 28 LEU H 4 30 MET ME . . 5.770 5.195 4.144 5.845 0.075 8 0 "[ . 1 . 2]" 1
1769 1 25 SER H 2 27 LEU HA . . 6.050 5.986 5.542 6.127 0.077 17 0 "[ . 1 . 2]" 1
1770 3 25 SER H 4 27 LEU HA . . 6.050 6.039 5.879 6.135 0.085 15 0 "[ . 1 . 2]" 1
1771 1 29 MET H 2 30 MET HA . . 6.440 6.417 5.881 6.515 0.075 19 0 "[ . 1 . 2]" 1
1772 3 29 MET H 4 30 MET HA . . 6.440 6.428 6.084 6.522 0.082 19 0 "[ . 1 . 2]" 1
1773 1 25 SER H 2 23 LEU QD . . 6.880 5.767 5.118 6.343 . 0 0 "[ . 1 . 2]" 1
1774 3 25 SER H 4 23 LEU QD . . 6.880 5.824 4.924 6.377 . 0 0 "[ . 1 . 2]" 1
1775 1 26 LEU H 2 23 LEU QD . . 5.530 4.223 3.682 4.716 . 0 0 "[ . 1 . 2]" 1
1776 3 26 LEU H 4 23 LEU QD . . 5.530 4.261 3.299 4.793 . 0 0 "[ . 1 . 2]" 1
1777 1 25 SER H 2 30 MET QB . . 6.920 4.980 4.625 5.541 . 0 0 "[ . 1 . 2]" 1
1778 3 25 SER H 4 30 MET QB . . 6.920 5.015 4.610 5.476 . 0 0 "[ . 1 . 2]" 1
1779 1 24 GLU H 2 30 MET ME . . 5.350 5.096 4.432 5.433 0.083 11 0 "[ . 1 . 2]" 1
1780 3 24 GLU H 4 30 MET ME . . 5.350 5.183 4.458 5.441 0.091 15 0 "[ . 1 . 2]" 1
1781 1 25 SER H 2 30 MET ME . . 4.690 3.382 2.876 4.161 . 0 0 "[ . 1 . 2]" 1
1782 3 25 SER H 4 30 MET ME . . 4.690 3.521 3.039 4.236 . 0 0 "[ . 1 . 2]" 1
1783 1 29 MET H 2 30 MET ME . . 6.260 5.784 4.830 6.346 0.086 6 0 "[ . 1 . 2]" 1
1784 3 29 MET H 4 30 MET ME . . 6.260 5.649 4.338 6.326 0.066 11 0 "[ . 1 . 2]" 1
1785 1 29 MET H 2 38 VAL QG . . 6.470 5.183 4.819 5.991 . 0 0 "[ . 1 . 2]" 1
1786 3 29 MET H 4 38 VAL QG . . 6.470 5.173 4.558 6.237 . 0 0 "[ . 1 . 2]" 1
1787 1 29 MET H 2 26 SER HA . . 6.450 5.723 5.352 6.212 . 0 0 "[ . 1 . 2]" 1
1788 3 29 MET H 4 26 SER HA . . 6.450 5.696 5.231 6.293 . 0 0 "[ . 1 . 2]" 1
1789 1 40 TYR H 2 32 LEU QD . . 6.440 4.878 2.745 6.536 0.096 11 0 "[ . 1 . 2]" 1
1790 3 40 TYR H 4 32 LEU QD . . 6.440 4.943 2.690 6.538 0.098 7 0 "[ . 1 . 2]" 1
1791 1 28 LEU QD 2 38 VAL HA . . 4.920 2.395 2.054 3.412 . 0 0 "[ . 1 . 2]" 1
1792 3 28 LEU QD 4 38 VAL HA . . 4.920 2.365 2.036 3.589 . 0 0 "[ . 1 . 2]" 1
1793 1 28 LEU QD 2 38 VAL QG . . 4.040 2.032 1.615 2.423 . 0 0 "[ . 1 . 2]" 1
1794 3 28 LEU QD 4 38 VAL QG . . 4.040 2.029 1.600 2.448 . 0 0 "[ . 1 . 2]" 1
1795 1 22 ILE HB 2 23 LEU QD . . 5.550 3.950 3.474 4.157 . 0 0 "[ . 1 . 2]" 1
1796 3 22 ILE HB 4 23 LEU QD . . 5.550 3.963 3.819 4.115 . 0 0 "[ . 1 . 2]" 1
1797 1 28 LEU MD1 2 41 TYR QD . . 5.020 3.353 2.303 4.955 . 0 0 "[ . 1 . 2]" 1
1798 3 28 LEU MD1 4 41 TYR QD . . 5.020 3.373 2.233 5.127 0.107 7 0 "[ . 1 . 2]" 1
1799 1 28 LEU QD 2 41 TYR QD . . 5.180 2.434 2.004 4.576 . 0 0 "[ . 1 . 2]" 1
1800 3 28 LEU QD 4 41 TYR QD . . 5.180 2.391 1.890 4.542 . 0 0 "[ . 1 . 2]" 1
1801 1 29 MET ME 2 26 SER H . . 4.750 3.335 2.640 4.061 . 0 0 "[ . 1 . 2]" 1
1802 3 29 MET ME 4 26 SER H . . 4.750 3.398 2.843 4.158 . 0 0 "[ . 1 . 2]" 1
1803 1 22 ILE MG 2 23 LEU HA . . 5.350 3.958 3.390 4.904 . 0 0 "[ . 1 . 2]" 1
1804 3 22 ILE MG 4 23 LEU HA . . 5.350 3.922 3.332 4.636 . 0 0 "[ . 1 . 2]" 1
1805 2 23 LEU HA 3 18 MET ME . . 5.570 4.779 4.298 5.296 . 0 0 "[ . 1 . 2]" 1
1806 1 18 MET ME 4 23 LEU HA . . 5.570 4.808 4.122 5.414 . 0 0 "[ . 1 . 2]" 1
1807 1 29 MET ME 2 26 SER HA . . 4.190 2.531 2.070 3.075 . 0 0 "[ . 1 . 2]" 1
1808 3 29 MET ME 4 26 SER HA . . 4.190 2.546 2.052 3.111 . 0 0 "[ . 1 . 2]" 1
1809 1 29 MET QG 2 26 SER HA . . 5.940 2.797 2.054 4.228 . 0 0 "[ . 1 . 2]" 1
1810 3 29 MET QG 4 26 SER HA . . 5.940 2.785 2.048 4.399 . 0 0 "[ . 1 . 2]" 1
1811 1 29 MET ME 2 22 LYS HA . . 5.110 4.128 3.125 4.793 . 0 0 "[ . 1 . 2]" 1
1812 3 29 MET ME 4 22 LYS HA . . 5.110 4.234 3.203 4.938 . 0 0 "[ . 1 . 2]" 1
1813 2 20 LEU HA 3 22 ILE MD . . 5.510 5.214 4.518 5.550 0.040 3 0 "[ . 1 . 2]" 1
1814 1 22 ILE MD 4 20 LEU HA . . 5.510 5.252 4.779 5.511 0.001 14 0 "[ . 1 . 2]" 1
1815 2 20 LEU HA 3 18 MET ME . . 5.510 5.503 5.117 5.606 0.096 12 0 "[ . 1 . 2]" 1
1816 1 18 MET ME 4 20 LEU HA . . 5.510 5.549 5.238 5.615 0.105 1 0 "[ . 1 . 2]" 1
1817 1 20 LEU QD 2 42 ARG HA . . 6.440 5.808 5.018 6.555 0.115 2 0 "[ . 1 . 2]" 1
1818 3 20 LEU QD 4 42 ARG HA . . 6.440 5.767 4.888 6.545 0.105 16 0 "[ . 1 . 2]" 1
1819 2 19 ILE HA 3 18 MET ME . . 3.860 3.087 2.268 3.774 . 0 0 "[ . 1 . 2]" 1
1820 1 18 MET ME 4 19 ILE HA . . 3.860 3.107 2.147 3.909 0.049 19 0 "[ . 1 . 2]" 1
1821 1 28 LEU MD1 2 38 VAL HA . . 4.800 2.877 2.087 4.605 . 0 0 "[ . 1 . 2]" 1
1822 3 28 LEU MD1 4 38 VAL HA . . 4.800 2.803 2.078 4.800 0.000 7 0 "[ . 1 . 2]" 1
1823 2 22 LYS QE 3 18 MET ME . . 4.200 3.601 1.813 4.317 0.117 10 0 "[ . 1 . 2]" 1
1824 1 18 MET ME 4 22 LYS QE . . 4.200 3.730 1.784 4.307 0.107 13 0 "[ . 1 . 2]" 1
1825 1 18 MET QB 4 22 LYS QE . . 6.910 5.717 4.508 6.229 . 0 0 "[ . 1 . 2]" 1
1826 2 22 LYS QE 3 18 MET QB . . 6.910 5.590 4.257 6.372 . 0 0 "[ . 1 . 2]" 1
1827 1 28 LEU QD 2 38 VAL HB . . 6.700 3.800 1.835 4.558 . 0 0 "[ . 1 . 2]" 1
1828 3 28 LEU QD 4 38 VAL HB . . 6.700 3.789 2.127 4.371 . 0 0 "[ . 1 . 2]" 1
1829 2 19 ILE QG 3 18 MET ME . . 4.500 2.763 2.124 3.796 . 0 0 "[ . 1 . 2]" 1
1830 1 18 MET ME 4 19 ILE QG . . 4.500 2.852 2.153 3.844 . 0 0 "[ . 1 . 2]" 1
1831 1 29 MET ME 2 29 LEU HB3 . . 6.370 4.544 2.898 5.302 . 0 0 "[ . 1 . 2]" 1
1832 3 29 MET ME 4 29 LEU HB3 . . 6.370 4.562 3.557 5.432 . 0 0 "[ . 1 . 2]" 1
1833 2 22 LYS QD 3 18 MET ME . . 3.240 2.576 1.891 3.349 0.109 7 0 "[ . 1 . 2]" 1
1834 1 18 MET ME 4 22 LYS QD . . 3.240 2.620 2.082 3.338 0.098 7 0 "[ . 1 . 2]" 1
1835 1 29 MET ME 2 22 LYS QD . . 6.360 5.259 3.289 6.460 0.100 6 0 "[ . 1 . 2]" 1
1836 3 29 MET ME 4 22 LYS QD . . 6.360 5.251 3.270 6.454 0.094 18 0 "[ . 1 . 2]" 1
1837 2 23 LEU QB 3 22 ILE MD . . 6.850 4.861 4.305 5.562 . 0 0 "[ . 1 . 2]" 1
1838 1 22 ILE MD 4 23 LEU QB . . 6.850 4.873 4.396 5.622 . 0 0 "[ . 1 . 2]" 1
1839 2 22 LYS QD 3 18 MET QB . . 6.690 5.110 4.228 6.116 . 0 0 "[ . 1 . 2]" 1
1840 1 18 MET QB 4 22 LYS QD . . 6.690 5.123 4.544 6.271 . 0 0 "[ . 1 . 2]" 1
1841 1 29 MET ME 2 29 LEU QB . . 5.940 3.624 2.403 4.201 . 0 0 "[ . 1 . 2]" 1
1842 3 29 MET ME 4 29 LEU QB . . 5.940 3.644 2.635 4.175 . 0 0 "[ . 1 . 2]" 1
1843 2 19 ILE MG 3 18 MET ME . . 3.330 2.169 1.928 2.422 . 0 0 "[ . 1 . 2]" 1
1844 1 18 MET ME 4 19 ILE MG . . 3.330 2.193 1.889 2.571 . 0 0 "[ . 1 . 2]" 1
1845 1 18 MET ME 4 23 LEU QD . . 3.890 2.269 1.898 3.418 . 0 0 "[ . 1 . 2]" 1
1846 2 23 LEU QD 3 18 MET ME . . 3.890 2.211 1.887 2.989 . 0 0 "[ . 1 . 2]" 1
1847 1 37 ILE MD 2 29 LEU QD . . 5.410 2.344 1.817 3.398 . 0 0 "[ . 1 . 2]" 1
1848 3 37 ILE MD 4 29 LEU QD . . 5.410 2.320 1.765 3.566 . 0 0 "[ . 1 . 2]" 1
1849 1 5 LEU QD 2 48 LEU HA . . 6.930 6.800 6.469 7.053 0.123 5 0 "[ . 1 . 2]" 1
1850 3 5 LEU QD 4 48 LEU HA . . 6.930 6.862 6.522 7.048 0.118 13 0 "[ . 1 . 2]" 1
1851 1 5 LEU QD 2 48 LEU QD . . 3.970 3.026 2.578 3.289 . 0 0 "[ . 1 . 2]" 1
1852 3 5 LEU QD 4 48 LEU QD . . 3.970 3.098 2.708 3.368 . 0 0 "[ . 1 . 2]" 1
1853 2 23 LEU QD 3 15 THR MG . . 5.690 5.001 4.087 5.679 . 0 0 "[ . 1 . 2]" 1
1854 1 15 THR MG 4 23 LEU QD . . 5.690 5.127 4.221 5.799 0.109 17 0 "[ . 1 . 2]" 1
1855 2 23 LEU QD 3 19 LEU QD . . 4.610 3.874 3.107 4.661 0.051 10 0 "[ . 1 . 2]" 1
1856 1 19 LEU QD 4 23 LEU QD . . 4.610 3.989 3.043 4.777 0.167 9 0 "[ . 1 . 2]" 1
1857 1 36 THR MG 2 32 LEU QD . . 3.720 2.792 2.021 3.670 . 0 0 "[ . 1 . 2]" 1
1858 3 36 THR MG 4 32 LEU QD . . 3.720 2.755 2.023 3.827 0.107 13 0 "[ . 1 . 2]" 1
1859 1 36 THR MG 2 32 LEU QB . . 6.520 4.899 3.791 5.669 . 0 0 "[ . 1 . 2]" 1
1860 3 36 THR MG 4 32 LEU QB . . 6.520 4.949 4.085 5.797 . 0 0 "[ . 1 . 2]" 1
1861 1 36 THR MG 2 32 LEU HG . . 5.420 3.882 3.063 4.709 . 0 0 "[ . 1 . 2]" 1
1862 3 36 THR MG 4 32 LEU HG . . 5.420 3.977 3.596 4.444 . 0 0 "[ . 1 . 2]" 1
1863 1 36 THR MG 2 32 LEU HA . . 6.450 6.439 5.736 6.568 0.118 3 0 "[ . 1 . 2]" 1
1864 3 36 THR MG 4 32 LEU HA . . 6.450 6.451 5.791 6.571 0.121 20 0 "[ . 1 . 2]" 1
1865 1 28 LEU MD1 2 38 VAL QG . . 4.390 2.283 1.742 3.355 . 0 0 "[ . 1 . 2]" 1
1866 3 28 LEU MD1 4 38 VAL QG . . 4.390 2.208 1.742 3.311 . 0 0 "[ . 1 . 2]" 1
1867 1 36 THR MG 2 33 VAL HA . . 6.690 4.687 3.847 5.644 . 0 0 "[ . 1 . 2]" 1
1868 3 36 THR MG 4 33 VAL HA . . 6.690 4.648 3.955 5.933 . 0 0 "[ . 1 . 2]" 1
1869 1 51 LEU QB 1 53 GLN H . . 6.820 4.778 4.442 5.512 . 0 0 "[ . 1 . 2]" 1
1870 3 51 LEU QB 3 53 GLN H . . 6.820 4.747 4.318 5.590 . 0 0 "[ . 1 . 2]" 1
1871 1 4 GLU HA 1 5 LEU QB . . 5.560 4.084 3.944 4.278 . 0 0 "[ . 1 . 2]" 1
1872 3 4 GLU HA 3 5 LEU QB . . 5.560 4.103 3.905 4.351 . 0 0 "[ . 1 . 2]" 1
1873 1 4 GLU QB 1 6 LEU QB . . 6.000 4.993 4.348 5.496 . 0 0 "[ . 1 . 2]" 1
1874 3 4 GLU QB 3 6 LEU QB . . 6.000 4.837 4.172 5.415 . 0 0 "[ . 1 . 2]" 1
1875 1 4 GLU QG 1 6 LEU QB . . 6.380 5.186 4.333 6.366 . 0 0 "[ . 1 . 2]" 1
1876 3 4 GLU QG 3 6 LEU QB . . 6.380 4.993 4.033 6.233 . 0 0 "[ . 1 . 2]" 1
1877 1 6 LEU QD 3 16 TYR H . . 6.740 4.848 4.228 5.726 . 0 0 "[ . 1 . 2]" 1
1878 1 16 TYR H 3 6 LEU QD . . 6.740 4.770 4.045 5.677 . 0 0 "[ . 1 . 2]" 1
1879 1 5 LEU QB 1 7 TYR QD . . 5.850 5.267 4.539 5.883 0.033 14 0 "[ . 1 . 2]" 1
1880 3 5 LEU QB 3 7 TYR QD . . 5.850 5.340 4.781 5.945 0.095 8 0 "[ . 1 . 2]" 1
1881 1 5 LEU QB 2 48 LEU QD . . 6.210 5.202 4.657 5.671 . 0 0 "[ . 1 . 2]" 1
1882 3 5 LEU QB 4 48 LEU QD . . 6.210 5.276 4.809 5.608 . 0 0 "[ . 1 . 2]" 1
1883 1 6 LEU QB 3 10 VAL HB . . 5.060 4.177 3.704 4.718 . 0 0 "[ . 1 . 2]" 1
1884 1 10 VAL HB 3 6 LEU QB . . 5.060 4.118 3.573 4.643 . 0 0 "[ . 1 . 2]" 1
1885 1 6 LEU QB 3 16 TYR QE . . 5.110 2.908 2.127 4.323 . 0 0 "[ . 1 . 2]" 1
1886 1 16 TYR QE 3 6 LEU QB . . 5.110 3.236 2.281 4.593 . 0 0 "[ . 1 . 2]" 1
1887 1 6 LEU QD 1 7 TYR H . . 5.970 3.336 1.891 3.841 . 0 0 "[ . 1 . 2]" 1
1888 3 6 LEU QD 3 7 TYR H . . 5.970 3.300 1.855 4.027 . 0 0 "[ . 1 . 2]" 1
1889 1 6 LEU QD 3 10 VAL HB . . 6.220 5.017 4.389 5.437 . 0 0 "[ . 1 . 2]" 1
1890 1 10 VAL HB 3 6 LEU QD . . 6.220 4.967 4.237 5.449 . 0 0 "[ . 1 . 2]" 1
1891 1 6 LEU QD 3 10 VAL QG . . 5.580 4.611 4.029 5.029 . 0 0 "[ . 1 . 2]" 1
1892 1 10 VAL QG 3 6 LEU QD . . 5.580 4.540 4.085 4.849 . 0 0 "[ . 1 . 2]" 1
1893 1 6 LEU QD 3 12 GLY H . . 6.160 3.388 2.556 4.183 . 0 0 "[ . 1 . 2]" 1
1894 1 12 GLY H 3 6 LEU QD . . 6.160 3.302 2.573 4.003 . 0 0 "[ . 1 . 2]" 1
1895 1 12 GLY QA 3 6 LEU QD . . 6.840 4.811 4.137 5.425 . 0 0 "[ . 1 . 2]" 1
1896 1 6 LEU QD 3 12 GLY QA . . 6.840 4.893 4.214 5.477 . 0 0 "[ . 1 . 2]" 1
1897 1 6 LEU QD 3 13 ARG HA . . 4.250 4.120 3.635 4.371 0.121 11 0 "[ . 1 . 2]" 1
1898 1 13 ARG HA 3 6 LEU QD . . 4.250 4.000 3.278 4.357 0.107 10 0 "[ . 1 . 2]" 1
1899 1 6 LEU QD 3 13 ARG QG . . 6.010 5.010 4.058 5.998 . 0 0 "[ . 1 . 2]" 1
1900 1 13 ARG QG 3 6 LEU QD . . 6.010 4.884 3.427 5.761 . 0 0 "[ . 1 . 2]" 1
1901 1 6 LEU QD 3 16 TYR HB2 . . 4.490 3.089 2.364 4.141 . 0 0 "[ . 1 . 2]" 1
1902 1 16 TYR HB2 3 6 LEU QD . . 4.490 3.082 2.397 4.099 . 0 0 "[ . 1 . 2]" 1
1903 1 6 LEU QD 3 16 TYR HB3 . . 6.790 3.564 2.875 4.523 . 0 0 "[ . 1 . 2]" 1
1904 1 16 TYR HB3 3 6 LEU QD . . 6.790 3.572 2.999 4.651 . 0 0 "[ . 1 . 2]" 1
1905 1 7 TYR QD 3 9 PRO QB . . 5.920 2.576 2.174 3.546 . 0 0 "[ . 1 . 2]" 1
1906 1 9 PRO QB 3 7 TYR QD . . 5.920 2.583 2.215 3.106 . 0 0 "[ . 1 . 2]" 1
1907 1 7 TYR QD 3 9 PRO HB3 . . 6.650 2.604 2.186 3.615 . 0 0 "[ . 1 . 2]" 1
1908 1 9 PRO HB3 3 7 TYR QD . . 6.650 2.609 2.228 3.152 . 0 0 "[ . 1 . 2]" 1
1909 1 7 TYR QD 3 9 PRO QG . . 6.250 4.185 3.820 5.119 . 0 0 "[ . 1 . 2]" 1
1910 1 9 PRO QG 3 7 TYR QD . . 6.250 4.137 3.566 4.697 . 0 0 "[ . 1 . 2]" 1
1911 1 7 TYR QE 2 48 LEU QB . . 6.860 6.883 6.393 6.978 0.118 14 0 "[ . 1 . 2]" 1
1912 3 7 TYR QE 4 48 LEU QB . . 6.860 6.890 6.734 6.974 0.114 1 0 "[ . 1 . 2]" 1
1913 1 7 TYR QE 3 9 PRO QB . . 5.070 2.667 2.043 3.810 . 0 0 "[ . 1 . 2]" 1
1914 1 9 PRO QB 3 7 TYR QE . . 5.070 2.544 2.183 3.510 . 0 0 "[ . 1 . 2]" 1
1915 1 7 TYR QE 3 9 PRO HB3 . . 5.700 2.727 2.057 3.928 . 0 0 "[ . 1 . 2]" 1
1916 1 9 PRO HB3 3 7 TYR QE . . 5.700 2.582 2.211 3.598 . 0 0 "[ . 1 . 2]" 1
1917 1 8 LEU H 3 8 LEU QB . . 5.610 3.284 2.673 3.727 . 0 0 "[ . 1 . 2]" 1
1918 1 8 LEU QB 3 8 LEU H . . 5.610 3.284 2.878 3.876 . 0 0 "[ . 1 . 2]" 1
1919 1 8 LEU QB 1 10 VAL QG . . 6.180 3.324 2.259 4.024 . 0 0 "[ . 1 . 2]" 1
1920 3 8 LEU QB 3 10 VAL QG . . 6.180 3.181 2.358 3.846 . 0 0 "[ . 1 . 2]" 1
1921 1 8 LEU QB 3 16 TYR QD . . 5.980 4.201 2.892 5.466 . 0 0 "[ . 1 . 2]" 1
1922 1 16 TYR QD 3 8 LEU QB . . 5.980 4.358 3.319 5.483 . 0 0 "[ . 1 . 2]" 1
1923 1 8 LEU QB 3 16 TYR QE . . 6.170 3.361 2.207 5.214 . 0 0 "[ . 1 . 2]" 1
1924 1 16 TYR QE 3 8 LEU QB . . 6.170 3.571 2.246 5.225 . 0 0 "[ . 1 . 2]" 1
1925 1 8 LEU QB 3 20 LEU QD . . 6.240 5.058 3.025 6.053 . 0 0 "[ . 1 . 2]" 1
1926 1 20 LEU QD 3 8 LEU QB . . 6.240 5.085 3.870 6.343 0.103 7 0 "[ . 1 . 2]" 1
1927 1 8 LEU QD 1 9 PRO QD . . 4.000 2.668 2.081 3.682 . 0 0 "[ . 1 . 2]" 1
1928 3 8 LEU QD 3 9 PRO QD . . 4.000 2.557 2.126 3.283 . 0 0 "[ . 1 . 2]" 1
1929 1 8 LEU QD 3 16 TYR HA . . 5.350 3.924 3.306 4.711 . 0 0 "[ . 1 . 2]" 1
1930 1 16 TYR HA 3 8 LEU QD . . 5.350 4.000 3.253 4.592 . 0 0 "[ . 1 . 2]" 1
1931 1 8 LEU QD 3 19 LEU QB . . 3.960 3.166 1.979 4.032 0.072 9 0 "[ . 1 . 2]" 1
1932 1 19 LEU QB 3 8 LEU QD . . 3.960 3.123 1.887 4.073 0.113 4 0 "[ . 1 . 2]" 1
1933 1 8 LEU QD 3 20 LEU QD . . 4.760 2.990 1.769 3.677 . 0 0 "[ . 1 . 2]" 1
1934 1 20 LEU QD 3 8 LEU QD . . 4.760 2.830 1.831 3.776 . 0 0 "[ . 1 . 2]" 1
1935 1 8 LEU QD 3 23 LYS H . . 6.170 5.258 4.383 6.264 0.094 13 0 "[ . 1 . 2]" 1
1936 1 23 LYS H 3 8 LEU QD . . 6.170 5.256 4.256 6.012 . 0 0 "[ . 1 . 2]" 1
1937 1 9 PRO QB 4 48 LEU QD . . 5.740 4.141 3.719 4.808 . 0 0 "[ . 1 . 2]" 1
1938 2 48 LEU QD 3 9 PRO QB . . 5.740 4.079 3.291 4.541 . 0 0 "[ . 1 . 2]" 1
1939 1 29 MET HA 2 37 LEU QD . . 6.830 6.553 5.798 6.933 0.103 17 0 "[ . 1 . 2]" 1
1940 3 29 MET HA 4 37 LEU QD . . 6.830 6.546 5.696 6.954 0.124 1 0 "[ . 1 . 2]" 1
1941 1 13 ARG QD 1 17 GLU QG . . 5.570 3.703 2.441 5.679 0.109 6 0 "[ . 1 . 2]" 1
1942 3 13 ARG QD 3 17 GLU QG . . 5.570 3.896 2.565 5.666 0.096 6 0 "[ . 1 . 2]" 1
1943 1 16 TYR HA 1 19 LEU QB . . 6.230 2.668 2.107 3.351 . 0 0 "[ . 1 . 2]" 1
1944 3 16 TYR HA 3 19 LEU QB . . 6.230 2.759 2.296 3.122 . 0 0 "[ . 1 . 2]" 1
1945 1 17 GLU QG 1 20 LEU QD . . 5.770 4.841 4.083 5.800 0.030 14 0 "[ . 1 . 2]" 1
1946 3 17 GLU QG 3 20 LEU QD . . 5.770 4.746 3.863 5.521 . 0 0 "[ . 1 . 2]" 1
1947 1 18 MET ME 4 22 LYS QG . . 3.730 3.341 2.401 3.830 0.100 19 0 "[ . 1 . 2]" 1
1948 2 22 LYS QG 3 18 MET ME . . 3.730 3.325 2.547 3.833 0.103 3 0 "[ . 1 . 2]" 1
1949 1 19 LEU QB 1 20 LEU H . . 4.780 2.662 2.437 3.074 . 0 0 "[ . 1 . 2]" 1
1950 3 19 LEU QB 3 20 LEU H . . 4.780 2.691 2.424 3.128 . 0 0 "[ . 1 . 2]" 1
1951 1 19 LEU QB 1 20 LEU HA . . 5.220 3.972 3.651 4.373 . 0 0 "[ . 1 . 2]" 1
1952 3 19 LEU QB 3 20 LEU HA . . 5.220 3.971 3.668 4.319 . 0 0 "[ . 1 . 2]" 1
1953 1 23 LYS QG 1 24 GLU QG . . 6.530 5.481 4.070 6.517 . 0 0 "[ . 1 . 2]" 1
1954 3 23 LYS QG 3 24 GLU QG . . 6.530 5.472 3.999 6.368 . 0 0 "[ . 1 . 2]" 1
1955 1 20 LEU QD 1 23 LYS QD . . 5.240 3.442 2.368 5.308 0.068 1 0 "[ . 1 . 2]" 1
1956 3 20 LEU QD 3 23 LYS QD . . 5.240 3.455 2.358 5.271 0.031 20 0 "[ . 1 . 2]" 1
1957 1 20 LEU QD 1 24 GLU QG . . 6.470 3.351 1.891 4.310 . 0 0 "[ . 1 . 2]" 1
1958 3 20 LEU QD 3 24 GLU QG . . 6.470 3.328 1.883 4.880 . 0 0 "[ . 1 . 2]" 1
1959 1 21 GLU H 2 27 LEU QD . . 6.590 5.735 5.203 6.175 . 0 0 "[ . 1 . 2]" 1
1960 3 21 GLU H 4 27 LEU QD . . 6.590 5.686 5.287 6.441 . 0 0 "[ . 1 . 2]" 1
1961 1 21 GLU QB 1 22 ILE H . . 4.410 2.512 2.277 2.802 . 0 0 "[ . 1 . 2]" 1
1962 3 21 GLU QB 3 22 ILE H . . 4.410 2.501 2.377 2.745 . 0 0 "[ . 1 . 2]" 1
1963 1 21 GLU QB 2 27 LEU QD . . 5.170 3.759 2.695 4.364 . 0 0 "[ . 1 . 2]" 1
1964 3 21 GLU QB 4 27 LEU QD . . 5.170 3.680 2.832 4.396 . 0 0 "[ . 1 . 2]" 1
1965 1 21 GLU QG 2 27 LEU QD . . 4.630 3.009 2.263 4.749 0.119 7 0 "[ . 1 . 2]" 1
1966 3 21 GLU QG 4 27 LEU QD . . 4.630 2.964 2.109 4.755 0.125 12 0 "[ . 1 . 2]" 1
1967 1 21 GLU QG 2 30 MET ME . . 4.880 3.749 2.253 4.952 0.072 11 0 "[ . 1 . 2]" 1
1968 3 21 GLU QG 4 30 MET ME . . 4.880 4.052 2.265 4.755 . 0 0 "[ . 1 . 2]" 1
1969 1 22 ILE H 2 27 LEU QD . . 4.780 4.191 3.748 4.764 . 0 0 "[ . 1 . 2]" 1
1970 3 22 ILE H 4 27 LEU QD . . 4.780 4.117 3.794 4.860 0.080 16 0 "[ . 1 . 2]" 1
1971 1 22 ILE HA 2 27 LEU QD . . 4.300 2.461 2.057 3.161 . 0 0 "[ . 1 . 2]" 1
1972 3 22 ILE HA 4 27 LEU QD . . 4.300 2.407 2.004 3.036 . 0 0 "[ . 1 . 2]" 1
1973 1 22 ILE HB 2 27 LEU QD . . 5.210 4.452 3.906 5.281 0.071 6 0 "[ . 1 . 2]" 1
1974 3 22 ILE HB 4 27 LEU QD . . 5.210 4.376 3.905 5.199 . 0 0 "[ . 1 . 2]" 1
1975 1 22 ILE MG 2 23 LEU QB . . 5.990 3.023 2.476 4.272 . 0 0 "[ . 1 . 2]" 1
1976 3 22 ILE MG 4 23 LEU QB . . 5.990 3.054 2.509 4.269 . 0 0 "[ . 1 . 2]" 1
1977 1 22 ILE MG 2 26 SER QB . . 6.860 4.586 3.841 5.357 . 0 0 "[ . 1 . 2]" 1
1978 3 22 ILE MG 4 26 SER QB . . 6.860 4.538 3.571 5.723 . 0 0 "[ . 1 . 2]" 1
1979 1 22 ILE QG 2 27 LEU HG . . 5.590 3.909 2.794 5.223 . 0 0 "[ . 1 . 2]" 1
1980 3 22 ILE QG 4 27 LEU HG . . 5.590 3.814 2.904 4.910 . 0 0 "[ . 1 . 2]" 1
1981 1 22 ILE QG 2 27 LEU QD . . 5.970 2.487 2.062 3.264 . 0 0 "[ . 1 . 2]" 1
1982 3 22 ILE QG 4 27 LEU QD . . 5.970 2.342 1.985 3.156 . 0 0 "[ . 1 . 2]" 1
1983 1 22 ILE QG 4 19 ILE MD . . 6.000 3.305 2.501 3.940 . 0 0 "[ . 1 . 2]" 1
1984 2 19 ILE MD 3 22 ILE QG . . 6.000 3.383 2.497 4.126 . 0 0 "[ . 1 . 2]" 1
1985 1 22 ILE QG 4 20 LEU QD . . 6.130 4.759 3.736 5.481 . 0 0 "[ . 1 . 2]" 1
1986 2 20 LEU QD 3 22 ILE QG . . 6.130 4.595 3.620 5.456 . 0 0 "[ . 1 . 2]" 1
1987 1 22 ILE MD 2 27 LEU QD . . 4.860 3.679 2.956 4.533 . 0 0 "[ . 1 . 2]" 1
1988 3 22 ILE MD 4 27 LEU QD . . 4.860 3.566 2.734 4.380 . 0 0 "[ . 1 . 2]" 1
1989 1 24 GLU QG 1 28 LEU H . . 6.910 4.448 3.750 5.934 . 0 0 "[ . 1 . 2]" 1
1990 3 24 GLU QG 3 28 LEU H . . 6.910 4.421 3.661 6.051 . 0 0 "[ . 1 . 2]" 1
1991 1 24 GLU QG 2 38 VAL QG . . 6.330 3.099 1.964 4.640 . 0 0 "[ . 1 . 2]" 1
1992 3 24 GLU QG 4 38 VAL QG . . 6.330 3.096 1.967 4.777 . 0 0 "[ . 1 . 2]" 1
1993 1 25 SER H 1 28 LEU QB . . 6.870 4.974 4.542 5.349 . 0 0 "[ . 1 . 2]" 1
1994 3 25 SER H 3 28 LEU QB . . 6.870 4.965 4.714 5.295 . 0 0 "[ . 1 . 2]" 1
1995 1 25 SER H 2 27 LEU QD . . 4.620 3.963 3.737 4.396 . 0 0 "[ . 1 . 2]" 1
1996 3 25 SER H 4 27 LEU QD . . 4.620 4.015 3.662 4.665 0.045 15 0 "[ . 1 . 2]" 1
1997 1 25 SER HA 2 27 LEU QD . . 4.820 4.205 3.861 4.591 . 0 0 "[ . 1 . 2]" 1
1998 3 25 SER HA 4 27 LEU QD . . 4.820 4.288 4.047 4.921 0.101 15 0 "[ . 1 . 2]" 1
1999 1 25 SER QB 2 27 LEU QD . . 4.770 2.218 2.036 2.530 . 0 0 "[ . 1 . 2]" 1
2000 3 25 SER QB 4 27 LEU QD . . 4.770 2.270 2.070 2.796 . 0 0 "[ . 1 . 2]" 1
2001 1 25 SER QB 2 30 MET H . . 4.920 4.307 3.721 5.014 0.094 12 0 "[ . 1 . 2]" 1
2002 3 25 SER QB 4 30 MET H . . 4.920 4.322 3.689 5.001 0.081 15 0 "[ . 1 . 2]" 1
2003 1 26 LEU HA 1 26 LEU QD . . 4.250 2.294 2.032 3.030 . 0 0 "[ . 1 . 2]" 1
2004 3 26 LEU HA 3 26 LEU QD . . 4.250 2.253 2.033 3.063 . 0 0 "[ . 1 . 2]" 1
2005 1 26 LEU QB 1 27 GLU QG . . 6.260 4.691 3.258 5.888 . 0 0 "[ . 1 . 2]" 1
2006 3 26 LEU QB 3 27 GLU QG . . 6.260 4.888 3.247 5.796 . 0 0 "[ . 1 . 2]" 1
2007 2 20 LEU HG 4 23 LEU QB . . 6.380 4.666 3.486 5.456 . 0 0 "[ . 1 . 2]" 1
2008 2 23 LEU QB 4 20 LEU HG . . 6.380 4.697 3.707 5.928 . 0 0 "[ . 1 . 2]" 1
2009 1 26 LEU QD 1 29 MET QB . . 4.940 3.414 2.789 4.554 . 0 0 "[ . 1 . 2]" 1
2010 3 26 LEU QD 3 29 MET QB . . 4.940 3.395 2.689 4.506 . 0 0 "[ . 1 . 2]" 1
2011 1 26 LEU QD 1 29 MET ME . . 4.540 3.576 2.069 4.669 0.129 9 0 "[ . 1 . 2]" 1
2012 3 26 LEU QD 3 29 MET ME . . 4.540 3.483 2.078 4.665 0.125 20 0 "[ . 1 . 2]" 1
2013 1 26 LEU QD 2 22 LYS H . . 6.360 5.419 4.699 6.446 0.086 7 0 "[ . 1 . 2]" 1
2014 3 26 LEU QD 4 22 LYS H . . 6.360 5.382 4.716 6.123 . 0 0 "[ . 1 . 2]" 1
2015 1 26 LEU QD 2 22 LYS HA . . 5.530 4.466 3.624 5.382 . 0 0 "[ . 1 . 2]" 1
2016 3 26 LEU QD 4 22 LYS HA . . 5.530 4.396 3.668 5.201 . 0 0 "[ . 1 . 2]" 1
2017 1 26 LEU QD 2 22 LYS QB . . 5.220 3.205 2.030 4.529 . 0 0 "[ . 1 . 2]" 1
2018 3 26 LEU QD 4 22 LYS QB . . 5.220 3.155 2.109 4.134 . 0 0 "[ . 1 . 2]" 1
2019 1 26 LEU QD 2 22 LYS QG . . 4.530 2.478 2.093 3.443 . 0 0 "[ . 1 . 2]" 1
2020 3 26 LEU QD 4 22 LYS QG . . 4.530 2.449 1.910 3.333 . 0 0 "[ . 1 . 2]" 1
2021 1 26 LEU QD 2 22 LYS QD . . 3.710 2.312 1.929 3.107 . 0 0 "[ . 1 . 2]" 1
2022 3 26 LEU QD 4 22 LYS QD . . 3.710 2.258 1.873 3.068 . 0 0 "[ . 1 . 2]" 1
2023 1 26 LEU QD 2 23 LEU HA . . 3.550 3.288 2.491 3.668 0.118 8 0 "[ . 1 . 2]" 1
2024 3 26 LEU QD 4 23 LEU HA . . 3.550 3.322 2.483 3.660 0.110 5 0 "[ . 1 . 2]" 1
2025 1 26 LEU QD 2 23 LEU QB . . 5.040 4.355 3.977 4.707 . 0 0 "[ . 1 . 2]" 1
2026 3 26 LEU QD 4 23 LEU QB . . 5.040 4.409 4.045 5.024 . 0 0 "[ . 1 . 2]" 1
2027 1 26 LEU QD 2 23 LEU QD . . 4.200 2.133 1.922 2.871 . 0 0 "[ . 1 . 2]" 1
2028 3 26 LEU QD 4 23 LEU QD . . 4.200 2.181 1.914 2.849 . 0 0 "[ . 1 . 2]" 1
2029 1 26 LEU QD 2 23 LEU MD2 . . 4.210 2.141 1.928 2.897 . 0 0 "[ . 1 . 2]" 1
2030 3 26 LEU QD 4 23 LEU MD2 . . 4.210 2.190 1.919 2.866 . 0 0 "[ . 1 . 2]" 1
2031 1 26 LEU QD 2 26 SER H . . 5.190 4.567 3.663 5.286 0.096 19 0 "[ . 1 . 2]" 1
2032 3 26 LEU QD 4 26 SER H . . 5.190 4.535 3.793 5.182 . 0 0 "[ . 1 . 2]" 1
2033 1 26 LEU QD 2 26 SER HA . . 5.190 4.684 3.721 5.309 0.119 20 0 "[ . 1 . 2]" 1
2034 3 26 LEU QD 4 26 SER HA . . 5.190 4.602 3.875 5.290 0.100 20 0 "[ . 1 . 2]" 1
2035 1 26 LEU QD 2 26 SER QB . . 4.070 2.877 1.942 3.607 . 0 0 "[ . 1 . 2]" 1
2036 3 26 LEU QD 4 26 SER QB . . 4.070 2.835 2.126 3.629 . 0 0 "[ . 1 . 2]" 1
2037 1 28 LEU QD 1 29 MET H . . 6.420 4.014 3.664 4.131 . 0 0 "[ . 1 . 2]" 1
2038 3 28 LEU QD 3 29 MET H . . 6.420 4.043 3.769 4.154 . 0 0 "[ . 1 . 2]" 1
2039 1 28 LEU QD 1 31 TYR QB . . 5.500 3.021 2.530 3.630 . 0 0 "[ . 1 . 2]" 1
2040 3 28 LEU QD 3 31 TYR QB . . 5.500 2.953 2.680 3.497 . 0 0 "[ . 1 . 2]" 1
2041 1 28 LEU QD 2 41 TYR QE . . 6.270 3.135 2.255 5.715 . 0 0 "[ . 1 . 2]" 1
2042 3 28 LEU QD 4 41 TYR QE . . 6.270 3.183 2.267 5.580 . 0 0 "[ . 1 . 2]" 1
2043 1 28 LEU QD 2 30 MET HA . . 6.550 6.067 3.466 6.676 0.126 15 0 "[ . 1 . 2]" 1
2044 3 28 LEU QD 4 30 MET HA . . 6.550 6.141 4.228 6.680 0.130 11 0 "[ . 1 . 2]" 1
2045 1 28 LEU QD 2 37 LEU QB . . 6.830 3.008 2.008 4.839 . 0 0 "[ . 1 . 2]" 1
2046 3 28 LEU QD 4 37 LEU QB . . 6.830 2.937 2.077 4.112 . 0 0 "[ . 1 . 2]" 1
2047 1 28 LEU QD 2 37 LEU HG . . 6.560 4.139 2.176 5.804 . 0 0 "[ . 1 . 2]" 1
2048 3 28 LEU QD 4 37 LEU HG . . 6.560 3.982 2.136 5.628 . 0 0 "[ . 1 . 2]" 1
2049 1 28 LEU QD 2 37 LEU QD . . 4.900 2.467 1.924 4.607 . 0 0 "[ . 1 . 2]" 1
2050 3 28 LEU QD 4 37 LEU QD . . 4.900 2.402 1.920 4.723 . 0 0 "[ . 1 . 2]" 1
2051 1 28 LEU QD 2 41 TYR QB . . 4.280 3.086 2.478 4.409 0.129 7 0 "[ . 1 . 2]" 1
2052 3 28 LEU QD 4 41 TYR QB . . 4.280 3.008 2.328 4.376 0.096 13 0 "[ . 1 . 2]" 1
2053 1 29 MET HA 1 37 ILE QG . . 5.720 4.618 2.902 5.789 0.069 3 0 "[ . 1 . 2]" 1
2054 3 29 MET HA 3 37 ILE QG . . 5.720 4.701 3.025 5.795 0.075 12 0 "[ . 1 . 2]" 1
2055 1 29 MET QB 2 29 LEU QD . . 5.000 4.255 2.780 5.083 0.083 1 0 "[ . 1 . 2]" 1
2056 3 29 MET QB 4 29 LEU QD . . 5.000 4.252 3.038 5.122 0.122 1 0 "[ . 1 . 2]" 1
2057 1 29 MET QG 1 37 ILE MG . . 6.800 3.887 2.109 6.000 . 0 0 "[ . 1 . 2]" 1
2058 3 29 MET QG 3 37 ILE MG . . 6.800 3.986 2.099 6.358 . 0 0 "[ . 1 . 2]" 1
2059 1 29 MET QG 1 37 ILE MD . . 6.720 2.983 1.982 6.083 . 0 0 "[ . 1 . 2]" 1
2060 3 29 MET QG 3 37 ILE MD . . 6.720 2.956 1.926 5.871 . 0 0 "[ . 1 . 2]" 1
2061 1 29 MET QG 2 29 LEU QD . . 4.700 3.153 1.972 4.640 . 0 0 "[ . 1 . 2]" 1
2062 3 29 MET QG 4 29 LEU QD . . 4.700 3.125 1.956 4.779 0.079 1 0 "[ . 1 . 2]" 1
2063 1 29 MET QG 2 30 MET H . . 6.240 4.992 4.254 6.304 0.064 4 0 "[ . 1 . 2]" 1
2064 3 29 MET QG 4 30 MET H . . 6.240 4.901 4.250 6.326 0.086 4 0 "[ . 1 . 2]" 1
2065 1 29 MET ME 2 26 SER QB . . 4.780 2.949 2.068 4.074 . 0 0 "[ . 1 . 2]" 1
2066 3 29 MET ME 4 26 SER QB . . 4.780 2.976 2.040 3.977 . 0 0 "[ . 1 . 2]" 1
2067 1 29 MET ME 2 29 LEU QD . . 5.330 2.830 1.916 4.572 . 0 0 "[ . 1 . 2]" 1
2068 3 29 MET ME 4 29 LEU QD . . 5.330 2.769 1.889 4.444 . 0 0 "[ . 1 . 2]" 1
2069 1 31 TYR QD 2 37 LEU QB . . 6.930 5.735 4.439 6.866 . 0 0 "[ . 1 . 2]" 1
2070 3 31 TYR QD 4 37 LEU QB . . 6.930 5.617 3.878 6.621 . 0 0 "[ . 1 . 2]" 1
2071 1 32 LEU H 1 33 PRO QD . . 6.910 3.456 2.797 4.544 . 0 0 "[ . 1 . 2]" 1
2072 3 32 LEU H 3 33 PRO QD . . 6.910 3.408 2.713 4.483 . 0 0 "[ . 1 . 2]" 1
2073 1 32 LEU QB 2 37 LEU QB . . 6.080 3.899 2.315 4.982 . 0 0 "[ . 1 . 2]" 1
2074 3 32 LEU QB 4 37 LEU QB . . 6.080 3.873 2.071 4.852 . 0 0 "[ . 1 . 2]" 1
2075 2 26 SER HA 2 29 LEU MD1 . . 6.920 3.870 2.295 5.732 . 0 0 "[ . 1 . 2]" 1
2076 4 26 SER HA 4 29 LEU MD1 . . 6.920 3.924 2.418 6.062 . 0 0 "[ . 1 . 2]" 1
2077 1 36 THR MG 2 29 LEU QD . . 5.870 2.713 1.925 4.311 . 0 0 "[ . 1 . 2]" 1
2078 3 36 THR MG 4 29 LEU QD . . 5.870 2.876 1.933 4.249 . 0 0 "[ . 1 . 2]" 1
2079 1 29 MET ME 2 29 LEU MD1 . . 6.540 3.372 1.921 5.630 . 0 0 "[ . 1 . 2]" 1
2080 3 29 MET ME 4 29 LEU MD1 . . 6.540 3.374 1.894 5.975 . 0 0 "[ . 1 . 2]" 1
2081 1 37 ILE MG 2 29 LEU QD . . 4.480 2.750 1.927 3.806 . 0 0 "[ . 1 . 2]" 1
2082 3 37 ILE MG 4 29 LEU QD . . 4.480 2.800 1.824 3.737 . 0 0 "[ . 1 . 2]" 1
2083 1 37 ILE QG 1 38 GLU H . . 5.660 4.103 3.582 4.635 . 0 0 "[ . 1 . 2]" 1
2084 3 37 ILE QG 3 38 GLU H . . 5.660 4.136 3.604 4.592 . 0 0 "[ . 1 . 2]" 1
2085 1 37 ILE QG 2 29 LEU QB . . 6.650 3.711 2.343 5.517 . 0 0 "[ . 1 . 2]" 1
2086 3 37 ILE QG 4 29 LEU QB . . 6.650 3.707 2.227 5.511 . 0 0 "[ . 1 . 2]" 1
2087 1 37 ILE QG 2 29 LEU QD . . 5.680 2.651 1.821 3.911 . 0 0 "[ . 1 . 2]" 1
2088 3 37 ILE QG 4 29 LEU QD . . 5.680 2.704 1.913 3.776 . 0 0 "[ . 1 . 2]" 1
2089 1 37 ILE QG 2 32 LEU QD . . 6.250 5.393 3.946 6.366 0.116 4 0 "[ . 1 . 2]" 1
2090 3 37 ILE QG 4 32 LEU QD . . 6.250 5.337 3.515 6.309 0.059 13 0 "[ . 1 . 2]" 1
2091 1 38 GLU QG 1 42 GLN H . . 5.750 4.457 3.871 5.485 . 0 0 "[ . 1 . 2]" 1
2092 3 38 GLU QG 3 42 GLN H . . 5.750 4.500 3.702 5.585 . 0 0 "[ . 1 . 2]" 1
2093 1 39 THR MG 1 43 GLN QG . . 6.280 3.980 2.240 5.513 . 0 0 "[ . 1 . 2]" 1
2094 3 39 THR MG 3 43 GLN QG . . 6.280 3.967 2.225 5.473 . 0 0 "[ . 1 . 2]" 1
2095 1 40 TYR H 2 29 LEU QD . . 5.820 3.961 3.274 5.126 . 0 0 "[ . 1 . 2]" 1
2096 3 40 TYR H 4 29 LEU QD . . 5.820 4.090 3.477 5.213 . 0 0 "[ . 1 . 2]" 1
2097 1 40 TYR HA 2 29 LEU QD . . 5.460 4.480 3.818 5.572 0.112 1 0 "[ . 1 . 2]" 1
2098 3 40 TYR HA 4 29 LEU QD . . 5.460 4.528 3.862 5.573 0.113 9 0 "[ . 1 . 2]" 1
2099 1 40 TYR QB 1 41 ARG QB . . 5.470 3.915 3.564 4.482 . 0 0 "[ . 1 . 2]" 1
2100 3 40 TYR QB 3 41 ARG QB . . 5.470 3.899 3.432 4.510 . 0 0 "[ . 1 . 2]" 1
2101 1 40 TYR QB 2 32 LEU QD . . 5.850 3.470 2.032 5.162 . 0 0 "[ . 1 . 2]" 1
2102 3 40 TYR QB 4 32 LEU QD . . 5.850 3.528 2.017 5.041 . 0 0 "[ . 1 . 2]" 1
2103 1 41 ARG H 2 29 LEU QD . . 5.810 4.298 3.261 5.082 . 0 0 "[ . 1 . 2]" 1
2104 3 41 ARG H 4 29 LEU QD . . 5.810 4.363 3.441 5.128 . 0 0 "[ . 1 . 2]" 1
2105 1 45 GLN HA 1 48 HIS QB . . 5.550 3.057 2.127 4.027 . 0 0 "[ . 1 . 2]" 1
2106 3 45 GLN HA 3 48 HIS QB . . 5.550 3.091 2.196 3.727 . 0 0 "[ . 1 . 2]" 1
2107 1 52 LEU QB 1 53 GLN QB . . 6.690 4.518 3.402 5.186 . 0 0 "[ . 1 . 2]" 1
2108 3 52 LEU QB 3 53 GLN QB . . 6.690 4.508 3.579 5.041 . 0 0 "[ . 1 . 2]" 1
2109 2 2 SER QB 2 4 GLU H . . 6.210 4.478 2.653 6.199 . 0 0 "[ . 1 . 2]" 1
2110 4 2 SER QB 4 4 GLU H . . 6.210 4.505 2.681 6.071 . 0 0 "[ . 1 . 2]" 1
2111 2 2 SER QB 2 5 ASP H . . 6.120 5.319 2.841 6.217 0.097 5 0 "[ . 1 . 2]" 1
2112 4 2 SER QB 4 5 ASP H . . 6.120 5.375 2.402 6.213 0.093 2 0 "[ . 1 . 2]" 1
2113 2 6 THR MG 4 12 ARG QB . . 6.530 2.707 2.075 4.129 . 0 0 "[ . 1 . 2]" 1
2114 2 12 ARG QB 4 6 THR MG . . 6.530 2.647 2.107 4.503 . 0 0 "[ . 1 . 2]" 1
2115 2 7 TYR HA 2 8 TYR QB . . 6.240 4.260 4.028 4.536 . 0 0 "[ . 1 . 2]" 1
2116 4 7 TYR HA 4 8 TYR QB . . 6.240 4.303 4.085 4.522 . 0 0 "[ . 1 . 2]" 1
2117 2 24 LYS QB 4 11 VAL QG . . 5.470 3.713 3.416 3.986 . 0 0 "[ . 1 . 2]" 1
2118 2 11 VAL QG 4 24 LYS QB . . 5.470 3.742 3.421 4.055 . 0 0 "[ . 1 . 2]" 1
2119 2 11 VAL QG 4 7 TYR QD . . 5.880 4.771 3.501 5.486 . 0 0 "[ . 1 . 2]" 1
2120 2 7 TYR QD 4 11 VAL QG . . 5.880 4.779 4.051 5.440 . 0 0 "[ . 1 . 2]" 1
2121 2 7 TYR QD 4 12 ARG QB . . 6.760 4.169 3.566 4.750 . 0 0 "[ . 1 . 2]" 1
2122 2 12 ARG QB 4 7 TYR QD . . 6.760 4.421 3.633 5.532 . 0 0 "[ . 1 . 2]" 1
2123 2 7 TYR QD 4 13 GLY QA . . 6.550 4.366 3.688 4.748 . 0 0 "[ . 1 . 2]" 1
2124 2 13 GLY QA 4 7 TYR QD . . 6.550 4.323 3.857 4.920 . 0 0 "[ . 1 . 2]" 1
2125 2 7 TYR QE 4 13 GLY QA . . 5.440 4.684 3.722 5.541 0.101 18 0 "[ . 1 . 2]" 1
2126 2 13 GLY QA 4 7 TYR QE . . 5.440 4.724 3.659 5.498 0.058 7 0 "[ . 1 . 2]" 1
2127 2 8 TYR HA 4 11 VAL QG . . 6.930 5.056 4.173 5.843 . 0 0 "[ . 1 . 2]" 1
2128 2 11 VAL QG 4 8 TYR HA . . 6.930 5.010 3.995 6.057 . 0 0 "[ . 1 . 2]" 1
2129 2 8 TYR QD 4 10 GLN QB . . 5.400 2.927 2.244 3.766 . 0 0 "[ . 1 . 2]" 1
2130 2 10 GLN QB 4 8 TYR QD . . 5.400 2.949 2.071 3.859 . 0 0 "[ . 1 . 2]" 1
2131 2 8 TYR QE 4 10 GLN QB . . 4.930 3.021 2.242 4.389 . 0 0 "[ . 1 . 2]" 1
2132 2 10 GLN QB 4 8 TYR QE . . 4.930 3.148 2.295 4.268 . 0 0 "[ . 1 . 2]" 1
2133 2 9 LEU QD 2 10 GLN HA . . 6.700 4.832 3.848 5.429 . 0 0 "[ . 1 . 2]" 1
2134 4 9 LEU QD 4 10 GLN HA . . 6.700 4.793 3.828 5.449 . 0 0 "[ . 1 . 2]" 1
2135 2 9 LEU QD 4 20 LEU HA . . 6.720 4.978 4.334 5.621 . 0 0 "[ . 1 . 2]" 1
2136 2 20 LEU HA 4 9 LEU QD . . 6.720 5.095 4.472 5.629 . 0 0 "[ . 1 . 2]" 1
2137 2 20 LEU QB 4 9 LEU QD . . 6.540 3.174 2.562 3.865 . 0 0 "[ . 1 . 2]" 1
2138 2 9 LEU QD 4 20 LEU QB . . 6.540 3.016 2.393 3.787 . 0 0 "[ . 1 . 2]" 1
2139 2 11 VAL HB 4 24 LYS QG . . 5.880 3.785 3.440 4.092 . 0 0 "[ . 1 . 2]" 1
2140 2 24 LYS QG 4 11 VAL HB . . 5.880 3.771 3.594 4.059 . 0 0 "[ . 1 . 2]" 1
2141 2 11 VAL QG 2 16 ASN H . . 6.930 6.337 5.854 6.837 . 0 0 "[ . 1 . 2]" 1
2142 4 11 VAL QG 4 16 ASN H . . 6.930 6.369 5.924 6.887 . 0 0 "[ . 1 . 2]" 1
2143 2 11 VAL QG 2 16 ASN HA . . 6.930 6.206 5.641 6.517 . 0 0 "[ . 1 . 2]" 1
2144 4 11 VAL QG 4 16 ASN HA . . 6.930 6.286 5.754 6.838 . 0 0 "[ . 1 . 2]" 1
2145 2 11 VAL QG 2 17 PHE H . . 5.620 5.449 4.814 5.725 0.105 15 0 "[ . 1 . 2]" 1
2146 4 11 VAL QG 4 17 PHE H . . 5.620 5.459 4.648 5.733 0.113 8 0 "[ . 1 . 2]" 1
2147 2 11 VAL QG 2 17 PHE HB3 . . 6.910 6.258 5.035 6.774 . 0 0 "[ . 1 . 2]" 1
2148 4 11 VAL QG 4 17 PHE HB3 . . 6.910 6.240 5.367 6.877 . 0 0 "[ . 1 . 2]" 1
2149 2 11 VAL QG 2 17 PHE QE . . 6.930 5.893 3.760 7.068 0.138 3 0 "[ . 1 . 2]" 1
2150 4 11 VAL QG 4 17 PHE QE . . 6.930 6.058 4.917 7.049 0.119 10 0 "[ . 1 . 2]" 1
2151 2 12 ARG H 2 16 ASN QB . . 6.810 6.177 5.720 6.707 . 0 0 "[ . 1 . 2]" 1
2152 4 12 ARG H 4 16 ASN QB . . 6.810 6.205 5.585 6.870 0.060 9 0 "[ . 1 . 2]" 1
2153 2 12 ARG H 4 28 GLU QG . . 5.730 5.080 4.438 5.800 0.070 3 0 "[ . 1 . 2]" 1
2154 2 28 GLU QG 4 12 ARG H . . 5.730 5.176 4.618 5.798 0.068 4 0 "[ . 1 . 2]" 1
2155 2 14 ARG QB 2 15 LYS QG . . 5.530 3.466 2.991 4.515 . 0 0 "[ . 1 . 2]" 1
2156 4 14 ARG QB 4 15 LYS QG . . 5.530 3.464 2.664 4.762 . 0 0 "[ . 1 . 2]" 1
2157 2 14 ARG QG 2 15 LYS QG . . 3.920 3.642 2.871 4.022 0.102 11 0 "[ . 1 . 2]" 1
2158 4 14 ARG QG 4 15 LYS QG . . 3.920 3.707 2.831 4.017 0.097 17 0 "[ . 1 . 2]" 1
2159 2 14 ARG QG 2 18 GLU QG . . 6.100 4.097 3.181 5.675 . 0 0 "[ . 1 . 2]" 1
2160 4 14 ARG QG 4 18 GLU QG . . 6.100 4.091 2.853 5.575 . 0 0 "[ . 1 . 2]" 1
2161 2 14 ARG QD 2 18 GLU QG . . 6.010 4.366 2.603 5.696 . 0 0 "[ . 1 . 2]" 1
2162 4 14 ARG QD 4 18 GLU QG . . 6.010 4.474 2.759 6.100 0.090 7 0 "[ . 1 . 2]" 1
2163 2 15 LYS HA 2 18 GLU QB . . 5.900 2.864 2.505 3.130 . 0 0 "[ . 1 . 2]" 1
2164 4 15 LYS HA 4 18 GLU QB . . 5.900 2.810 2.419 3.132 . 0 0 "[ . 1 . 2]" 1
2165 2 15 LYS QG 2 16 ASN H . . 5.650 4.130 3.903 4.508 . 0 0 "[ . 1 . 2]" 1
2166 4 15 LYS QG 4 16 ASN H . . 5.650 4.119 3.810 4.409 . 0 0 "[ . 1 . 2]" 1
2167 2 15 LYS QG 2 18 GLU QG . . 6.020 5.180 3.828 6.118 0.098 7 0 "[ . 1 . 2]" 1
2168 4 15 LYS QG 4 18 GLU QG . . 6.020 5.204 4.034 6.121 0.101 7 0 "[ . 1 . 2]" 1
2169 2 14 ARG QG 2 18 GLU HG2 . . 6.820 5.161 3.648 6.887 0.067 7 0 "[ . 1 . 2]" 1
2170 4 14 ARG QG 4 18 GLU HG2 . . 6.820 5.106 3.752 6.897 0.077 4 0 "[ . 1 . 2]" 1
2171 2 16 ASN H 2 16 ASN QD . . 5.590 3.317 2.231 4.273 . 0 0 "[ . 1 . 2]" 1
2172 4 16 ASN H 4 16 ASN QD . . 5.590 3.275 2.168 4.290 . 0 0 "[ . 1 . 2]" 1
2173 2 16 ASN QB 2 20 LEU QD . . 6.140 2.801 2.097 3.719 . 0 0 "[ . 1 . 2]" 1
2174 4 16 ASN QB 4 20 LEU QD . . 6.140 2.685 2.197 3.424 . 0 0 "[ . 1 . 2]" 1
2175 2 16 ASN QB 4 24 LYS QG . . 6.320 4.648 3.271 6.351 0.031 20 0 "[ . 1 . 2]" 1
2176 2 24 LYS QG 4 16 ASN QB . . 6.320 4.598 3.522 5.873 . 0 0 "[ . 1 . 2]" 1
2177 2 16 ASN HB3 4 24 LYS QG . . 6.810 4.914 3.379 6.878 0.068 20 0 "[ . 1 . 2]" 1
2178 2 24 LYS QG 4 16 ASN HB3 . . 6.810 4.855 3.645 6.273 . 0 0 "[ . 1 . 2]" 1
2179 2 17 PHE H 2 20 LEU QD . . 6.730 4.464 3.785 5.269 . 0 0 "[ . 1 . 2]" 1
2180 4 17 PHE H 4 20 LEU QD . . 6.730 4.305 3.502 4.994 . 0 0 "[ . 1 . 2]" 1
2181 2 17 PHE H 4 24 LYS QD . . 6.730 5.869 5.044 6.842 0.112 19 0 "[ . 1 . 2]" 1
2182 2 24 LYS QD 4 17 PHE H . . 6.730 5.787 4.917 6.838 0.108 19 0 "[ . 1 . 2]" 1
2183 2 17 PHE QE 2 21 MET QB . . 5.770 4.082 2.922 4.914 . 0 0 "[ . 1 . 2]" 1
2184 4 17 PHE QE 4 21 MET QB . . 5.770 4.078 2.669 4.947 . 0 0 "[ . 1 . 2]" 1
2185 2 18 GLU QB 2 19 ILE H . . 4.980 2.331 2.114 2.544 . 0 0 "[ . 1 . 2]" 1
2186 4 18 GLU QB 4 19 ILE H . . 4.980 2.373 2.186 2.521 . 0 0 "[ . 1 . 2]" 1
2187 2 18 GLU QG 2 19 ILE H . . 6.330 4.098 3.721 4.402 . 0 0 "[ . 1 . 2]" 1
2188 4 18 GLU QG 4 19 ILE H . . 6.330 4.111 3.541 4.412 . 0 0 "[ . 1 . 2]" 1
2189 2 18 GLU HB2 2 19 ILE H . . 6.260 2.716 2.168 3.636 . 0 0 "[ . 1 . 2]" 1
2190 4 18 GLU HB2 4 19 ILE H . . 6.260 2.776 2.268 3.647 . 0 0 "[ . 1 . 2]" 1
2191 2 22 LYS HB3 2 23 LEU H . . 5.920 3.088 2.384 4.105 . 0 0 "[ . 1 . 2]" 1
2192 4 22 LYS HB3 4 23 LEU H . . 5.920 3.093 2.308 4.199 . 0 0 "[ . 1 . 2]" 1
2193 2 19 ILE HB 2 20 LEU QD . . 5.530 3.586 2.468 4.632 . 0 0 "[ . 1 . 2]" 1
2194 4 19 ILE HB 4 20 LEU QD . . 5.530 3.659 2.529 4.404 . 0 0 "[ . 1 . 2]" 1
2195 2 20 LEU HA 2 23 LEU QB . . 4.960 2.640 2.253 3.079 . 0 0 "[ . 1 . 2]" 1
2196 4 20 LEU HA 4 23 LEU QB . . 4.960 2.656 2.390 3.149 . 0 0 "[ . 1 . 2]" 1
2197 2 20 LEU QD 2 21 MET H . . 6.540 4.262 3.986 4.430 . 0 0 "[ . 1 . 2]" 1
2198 4 20 LEU QD 4 21 MET H . . 6.540 4.215 3.994 4.429 . 0 0 "[ . 1 . 2]" 1
2199 2 20 LEU QD 4 24 LYS H . . 4.960 3.365 2.698 4.274 . 0 0 "[ . 1 . 2]" 1
2200 2 24 LYS H 4 20 LEU QD . . 4.960 3.453 2.764 4.604 . 0 0 "[ . 1 . 2]" 1
2201 2 20 LEU QD 4 24 LYS HA . . 4.440 2.738 2.369 3.592 . 0 0 "[ . 1 . 2]" 1
2202 2 24 LYS HA 4 20 LEU QD . . 4.440 2.738 2.412 3.709 . 0 0 "[ . 1 . 2]" 1
2203 2 20 LEU QD 4 24 LYS QB . . 4.820 2.479 1.960 3.572 . 0 0 "[ . 1 . 2]" 1
2204 2 24 LYS QB 4 20 LEU QD . . 4.820 2.447 1.962 3.846 . 0 0 "[ . 1 . 2]" 1
2205 2 20 LEU QD 4 24 LYS QG . . 5.050 3.317 2.348 4.386 . 0 0 "[ . 1 . 2]" 1
2206 2 24 LYS QG 4 20 LEU QD . . 5.050 3.260 2.083 4.277 . 0 0 "[ . 1 . 2]" 1
2207 2 23 LEU QB 4 20 LEU QD . . 6.140 2.938 2.037 3.789 . 0 0 "[ . 1 . 2]" 1
2208 2 20 LEU QD 4 23 LEU QB . . 6.140 2.774 2.068 3.659 . 0 0 "[ . 1 . 2]" 1
2209 2 20 LEU QD 4 27 LEU H . . 6.370 5.129 4.684 5.500 . 0 0 "[ . 1 . 2]" 1
2210 2 27 LEU H 4 20 LEU QD . . 6.370 5.203 4.855 5.737 . 0 0 "[ . 1 . 2]" 1
2211 2 21 MET HA 2 24 LYS QD . . 6.170 5.307 3.479 6.230 0.060 14 0 "[ . 1 . 2]" 1
2212 4 21 MET HA 4 24 LYS QD . . 6.170 5.273 3.312 6.253 0.083 2 0 "[ . 1 . 2]" 1
2213 2 21 MET QB 2 22 LYS H . . 5.410 2.488 2.276 2.682 . 0 0 "[ . 1 . 2]" 1
2214 4 21 MET QB 4 22 LYS H . . 5.410 2.519 2.362 2.732 . 0 0 "[ . 1 . 2]" 1
2215 2 22 LYS QG 2 23 LEU H . . 6.110 2.967 2.073 4.200 . 0 0 "[ . 1 . 2]" 1
2216 4 22 LYS QG 4 23 LEU H . . 6.110 3.020 2.078 4.173 . 0 0 "[ . 1 . 2]" 1
2217 2 24 LYS H 2 24 LYS QD . . 5.160 4.362 4.085 4.788 . 0 0 "[ . 1 . 2]" 1
2218 4 24 LYS H 4 24 LYS QD . . 5.160 4.291 3.902 4.793 . 0 0 "[ . 1 . 2]" 1
2219 2 24 LYS QG 2 25 GLU H . . 5.850 3.471 3.094 4.188 . 0 0 "[ . 1 . 2]" 1
2220 4 24 LYS QG 4 25 GLU H . . 5.850 3.486 3.188 4.093 . 0 0 "[ . 1 . 2]" 1
2221 2 24 LYS QD 2 25 GLU H . . 6.600 4.689 3.954 5.057 . 0 0 "[ . 1 . 2]" 1
2222 4 24 LYS QD 4 25 GLU H . . 6.600 4.666 4.122 4.966 . 0 0 "[ . 1 . 2]" 1
2223 2 25 GLU QG 2 26 SER H . . 5.740 3.893 3.166 4.591 . 0 0 "[ . 1 . 2]" 1
2224 4 25 GLU QG 4 26 SER H . . 5.740 3.901 3.278 4.807 . 0 0 "[ . 1 . 2]" 1
2225 2 26 SER HA 2 29 LEU QB . . 5.490 2.796 2.407 3.248 . 0 0 "[ . 1 . 2]" 1
2226 4 26 SER HA 4 29 LEU QB . . 5.490 2.858 2.263 3.396 . 0 0 "[ . 1 . 2]" 1
2227 2 26 SER HA 2 29 LEU QD . . 6.830 3.255 2.291 4.628 . 0 0 "[ . 1 . 2]" 1
2228 4 26 SER HA 4 29 LEU QD . . 6.830 3.292 2.413 4.420 . 0 0 "[ . 1 . 2]" 1
2229 2 26 SER QB 2 29 LEU QB . . 6.770 4.594 4.046 5.048 . 0 0 "[ . 1 . 2]" 1
2230 4 26 SER QB 4 29 LEU QB . . 6.770 4.633 3.827 5.182 . 0 0 "[ . 1 . 2]" 1
2231 2 26 SER QB 2 30 MET H . . 6.210 5.032 4.470 5.467 . 0 0 "[ . 1 . 2]" 1
2232 4 26 SER QB 4 30 MET H . . 6.210 5.065 4.529 5.462 . 0 0 "[ . 1 . 2]" 1
2233 2 28 GLU QG 2 29 LEU H . . 6.380 4.267 3.783 4.474 . 0 0 "[ . 1 . 2]" 1
2234 4 28 GLU QG 4 29 LEU H . . 6.380 4.316 3.940 4.612 . 0 0 "[ . 1 . 2]" 1
2235 2 29 LEU H 2 30 MET QG . . 6.570 6.204 4.640 6.378 . 0 0 "[ . 1 . 2]" 1
2236 4 29 LEU H 4 30 MET QG . . 6.570 6.188 4.559 6.559 . 0 0 "[ . 1 . 2]" 1
2237 2 29 LEU QB 2 32 LEU H . . 6.240 4.887 4.591 5.259 . 0 0 "[ . 1 . 2]" 1
2238 4 29 LEU QB 4 32 LEU H . . 6.240 4.885 4.508 5.298 . 0 0 "[ . 1 . 2]" 1
2239 2 29 LEU QB 2 32 LEU QD . . 4.940 4.074 3.629 5.084 0.144 11 0 "[ . 1 . 2]" 1
2240 4 29 LEU QB 4 32 LEU QD . . 4.940 4.064 3.476 4.843 . 0 0 "[ . 1 . 2]" 1
2241 2 29 LEU QD 2 30 MET H . . 5.850 4.055 3.882 4.220 . 0 0 "[ . 1 . 2]" 1
2242 4 29 LEU QD 4 30 MET H . . 5.850 4.052 3.839 4.268 . 0 0 "[ . 1 . 2]" 1
2243 2 29 LEU QD 2 31 GLU QB . . 6.360 5.590 5.010 5.996 . 0 0 "[ . 1 . 2]" 1
2244 4 29 LEU QD 4 31 GLU QB . . 6.360 5.604 5.156 6.067 . 0 0 "[ . 1 . 2]" 1
2245 2 29 LEU QD 2 32 LEU QB . . 6.360 4.123 2.822 4.781 . 0 0 "[ . 1 . 2]" 1
2246 4 29 LEU QD 4 32 LEU QB . . 6.360 4.147 2.739 5.120 . 0 0 "[ . 1 . 2]" 1
2247 2 29 LEU QD 2 32 LEU HG . . 6.370 3.553 2.325 4.812 . 0 0 "[ . 1 . 2]" 1
2248 4 29 LEU QD 4 32 LEU HG . . 6.370 3.525 2.384 4.656 . 0 0 "[ . 1 . 2]" 1
2249 2 29 LEU QD 2 32 LEU QD . . 3.690 2.347 1.916 3.519 . 0 0 "[ . 1 . 2]" 1
2250 4 29 LEU QD 4 32 LEU QD . . 3.690 2.380 1.924 2.953 . 0 0 "[ . 1 . 2]" 1
2251 2 36 PRO QD 2 38 VAL QG . . 4.610 3.205 2.136 4.717 0.107 7 0 "[ . 1 . 2]" 1
2252 4 36 PRO QD 4 38 VAL QG . . 4.610 3.200 2.161 4.742 0.132 13 0 "[ . 1 . 2]" 1
2253 2 37 LEU HA 2 40 SER QB . . 4.900 2.575 2.088 2.996 . 0 0 "[ . 1 . 2]" 1
2254 4 37 LEU HA 4 40 SER QB . . 4.900 2.467 2.173 2.818 . 0 0 "[ . 1 . 2]" 1
2255 2 38 VAL HA 2 41 TYR QB . . 5.910 2.908 2.403 4.102 . 0 0 "[ . 1 . 2]" 1
2256 4 38 VAL HA 4 41 TYR QB . . 5.910 2.823 2.421 3.407 . 0 0 "[ . 1 . 2]" 1
2257 2 38 VAL QG 2 41 TYR QB . . 6.240 4.003 3.485 4.828 . 0 0 "[ . 1 . 2]" 1
2258 4 38 VAL QG 4 41 TYR QB . . 6.240 3.893 3.250 4.346 . 0 0 "[ . 1 . 2]" 1
2259 2 38 VAL QG 2 42 ARG QB . . 5.670 3.451 3.059 4.358 . 0 0 "[ . 1 . 2]" 1
2260 4 38 VAL QG 4 42 ARG QB . . 5.670 3.430 2.935 4.355 . 0 0 "[ . 1 . 2]" 1
2261 2 39 ASP HA 2 42 ARG QB . . 6.600 2.572 2.003 4.065 . 0 0 "[ . 1 . 2]" 1
2262 4 39 ASP HA 4 42 ARG QB . . 6.600 2.542 2.135 3.945 . 0 0 "[ . 1 . 2]" 1
2263 2 40 SER H 2 40 SER QB . . 3.700 2.276 2.037 2.624 . 0 0 "[ . 1 . 2]" 1
2264 4 40 SER H 4 40 SER QB . . 3.700 2.244 2.061 2.573 . 0 0 "[ . 1 . 2]" 1
2265 2 40 SER H 2 41 TYR QB . . 5.950 4.464 4.250 4.817 . 0 0 "[ . 1 . 2]" 1
2266 4 40 SER H 4 41 TYR QB . . 5.950 4.476 4.326 4.692 . 0 0 "[ . 1 . 2]" 1
2267 2 40 SER QB 2 41 TYR H . . 4.600 2.505 2.335 2.733 . 0 0 "[ . 1 . 2]" 1
2268 4 40 SER QB 4 41 TYR H . . 4.600 2.480 2.272 2.668 . 0 0 "[ . 1 . 2]" 1
2269 2 42 ARG H 2 43 GLN QB . . 5.670 4.748 4.570 5.004 . 0 0 "[ . 1 . 2]" 1
2270 4 42 ARG H 4 43 GLN QB . . 5.670 4.797 4.603 5.110 . 0 0 "[ . 1 . 2]" 1
2271 2 42 ARG HA 2 43 GLN QB . . 6.520 5.394 5.059 5.535 . 0 0 "[ . 1 . 2]" 1
2272 4 42 ARG HA 4 43 GLN QB . . 6.520 5.407 5.161 5.593 . 0 0 "[ . 1 . 2]" 1
2273 2 42 ARG QB 2 45 GLN QB . . 5.890 4.763 4.084 5.151 . 0 0 "[ . 1 . 2]" 1
2274 4 42 ARG QB 4 45 GLN QB . . 5.890 4.773 4.100 5.305 . 0 0 "[ . 1 . 2]" 1
2275 2 42 ARG QD 2 43 GLN QB . . 4.940 4.158 3.001 5.052 0.112 1 0 "[ . 1 . 2]" 1
2276 4 42 ARG QD 4 43 GLN QB . . 4.940 4.044 2.833 5.046 0.106 1 0 "[ . 1 . 2]" 1
2277 2 43 GLN HA 2 43 GLN QG . . 3.830 2.350 2.106 2.760 . 0 0 "[ . 1 . 2]" 1
2278 4 43 GLN HA 4 43 GLN QG . . 3.830 2.340 2.181 2.763 . 0 0 "[ . 1 . 2]" 1
2279 2 43 GLN QB 2 46 GLN H . . 6.640 4.799 4.552 5.019 . 0 0 "[ . 1 . 2]" 1
2280 4 43 GLN QB 4 46 GLN H . . 6.640 4.848 4.579 5.099 . 0 0 "[ . 1 . 2]" 1
2281 2 43 GLN QB 2 47 LEU HG . . 6.130 4.818 4.136 6.115 . 0 0 "[ . 1 . 2]" 1
2282 4 43 GLN QB 4 47 LEU HG . . 6.130 4.926 3.988 6.214 0.084 5 0 "[ . 1 . 2]" 1
2283 2 45 GLN HA 2 48 LEU QB . . 6.930 3.110 2.382 3.719 . 0 0 "[ . 1 . 2]" 1
2284 4 45 GLN HA 4 48 LEU QB . . 6.930 3.122 2.517 3.712 . 0 0 "[ . 1 . 2]" 1
2285 2 49 GLN QB 2 50 ARG H . . 4.660 2.868 2.092 4.076 . 0 0 "[ . 1 . 2]" 1
2286 4 49 GLN QB 4 50 ARG H . . 4.660 3.010 2.020 4.044 . 0 0 "[ . 1 . 2]" 1
2287 2 50 ARG H 2 50 ARG QB . . 3.880 2.689 2.114 3.458 . 0 0 "[ . 1 . 2]" 1
2288 4 50 ARG H 4 50 ARG QB . . 3.880 2.730 2.156 3.307 . 0 0 "[ . 1 . 2]" 1
2289 2 45 GLN H 2 47 LEU H . . 6.370 4.165 3.943 4.321 . 0 0 "[ . 1 . 2]" 1
2290 4 45 GLN H 4 47 LEU H . . 6.370 4.108 3.766 4.308 . 0 0 "[ . 1 . 2]" 1
2291 2 29 LEU HA 2 32 LEU H . . 5.130 3.387 3.031 3.705 . 0 0 "[ . 1 . 2]" 1
2292 4 29 LEU HA 4 32 LEU H . . 5.130 3.405 2.948 3.890 . 0 0 "[ . 1 . 2]" 1
2293 2 31 GLU QG 2 32 LEU QD . . 6.440 5.413 4.512 6.302 . 0 0 "[ . 1 . 2]" 1
2294 4 31 GLU QG 4 32 LEU QD . . 6.440 5.325 4.764 6.262 . 0 0 "[ . 1 . 2]" 1
2295 2 22 LYS QB 2 23 LEU H . . 5.580 2.832 2.359 3.585 . 0 0 "[ . 1 . 2]" 1
2296 4 22 LYS QB 4 23 LEU H . . 5.580 2.839 2.286 3.691 . 0 0 "[ . 1 . 2]" 1
2297 2 42 ARG HE 2 43 GLN HG3 . . 6.040 4.945 2.993 6.121 0.081 1 0 "[ . 1 . 2]" 1
2298 4 42 ARG HE 4 43 GLN HG3 . . 6.040 5.086 3.163 6.106 0.066 1 0 "[ . 1 . 2]" 1
2299 2 12 ARG QG 4 6 THR MG . . 5.070 3.395 2.321 4.005 . 0 0 "[ . 1 . 2]" 1
2300 2 6 THR MG 4 12 ARG QG . . 5.070 3.403 2.126 4.777 . 0 0 "[ . 1 . 2]" 1
2301 2 36 PRO HA 2 39 ASP QB . . 5.400 3.539 2.873 4.138 . 0 0 "[ . 1 . 2]" 1
2302 4 36 PRO HA 4 39 ASP QB . . 5.400 3.520 2.730 4.272 . 0 0 "[ . 1 . 2]" 1
2303 1 9 PRO HG2 1 10 VAL HA . . 5.570 4.962 4.733 5.205 . 0 0 "[ . 1 . 2]" 1
2304 3 9 PRO HG2 3 10 VAL HA . . 5.570 4.990 4.808 5.206 . 0 0 "[ . 1 . 2]" 1
2305 2 7 TYR H 4 11 VAL HB . . 6.740 5.251 4.806 5.638 . 0 0 "[ . 1 . 2]" 1
2306 2 11 VAL HB 4 7 TYR H . . 6.740 5.238 4.770 5.561 . 0 0 "[ . 1 . 2]" 1
2307 1 26 LEU HG 2 23 LEU MD2 . . 4.400 2.926 2.288 4.054 . 0 0 "[ . 1 . 2]" 1
2308 3 26 LEU HG 4 23 LEU MD2 . . 4.400 2.814 2.186 3.925 . 0 0 "[ . 1 . 2]" 1
2309 1 26 LEU HG 2 23 LEU QD . . 4.950 2.909 2.279 4.013 . 0 0 "[ . 1 . 2]" 1
2310 3 26 LEU HG 4 23 LEU QD . . 4.950 2.801 2.182 3.889 . 0 0 "[ . 1 . 2]" 1
2311 1 36 THR MG 2 29 LEU MD2 . . 5.730 3.444 2.152 5.080 . 0 0 "[ . 1 . 2]" 1
2312 3 36 THR MG 4 29 LEU MD2 . . 5.730 3.590 2.100 5.789 0.059 1 0 "[ . 1 . 2]" 1
2313 1 28 LEU HA 2 37 LEU MD1 . . 6.330 5.419 3.777 6.431 0.101 11 0 "[ . 1 . 2]" 1
2314 3 28 LEU HA 4 37 LEU MD1 . . 6.330 5.571 3.504 6.414 0.084 19 0 "[ . 1 . 2]" 1
2315 1 28 LEU HA 1 30 GLN H . . 6.050 4.319 3.911 4.721 . 0 0 "[ . 1 . 2]" 1
2316 3 28 LEU HA 3 30 GLN H . . 6.050 4.318 3.947 4.568 . 0 0 "[ . 1 . 2]" 1
2317 1 4 GLU H 1 4 GLU HG2 . . 5.360 4.372 1.881 5.326 . 0 0 "[ . 1 . 2]" 1
2318 3 4 GLU H 3 4 GLU HG2 . . 5.360 4.471 1.974 5.321 . 0 0 "[ . 1 . 2]" 1
2319 1 19 LEU QD 3 23 LYS HA . . 4.920 3.395 2.521 4.293 . 0 0 "[ . 1 . 2]" 1
2320 1 23 LYS HA 3 19 LEU QD . . 4.920 3.375 2.504 4.743 . 0 0 "[ . 1 . 2]" 1
2321 2 41 TYR QD 2 45 GLN QG . . 5.960 4.472 3.756 4.941 . 0 0 "[ . 1 . 2]" 1
2322 4 41 TYR QD 4 45 GLN QG . . 5.960 4.315 3.676 4.925 . 0 0 "[ . 1 . 2]" 1
2323 1 23 LYS QD 1 24 GLU HA . . 6.620 3.533 2.579 5.604 . 0 0 "[ . 1 . 2]" 1
2324 3 23 LYS QD 3 24 GLU HA . . 6.620 3.533 2.411 5.450 . 0 0 "[ . 1 . 2]" 1
2325 1 20 LEU HG 3 8 LEU QD . . 6.280 2.858 2.036 4.024 . 0 0 "[ . 1 . 2]" 1
2326 1 8 LEU QD 3 20 LEU HG . . 6.280 2.972 2.136 4.049 . 0 0 "[ . 1 . 2]" 1
2327 1 8 LEU HA 3 20 LEU HG . . 6.450 6.085 5.014 6.521 0.071 18 0 "[ . 1 . 2]" 1
2328 1 20 LEU HG 3 8 LEU HA . . 6.450 6.004 4.977 6.525 0.075 13 0 "[ . 1 . 2]" 1
2329 1 20 LEU QD 2 41 TYR QE . . 6.170 5.988 4.608 6.311 0.141 7 0 "[ . 1 . 2]" 1
2330 3 20 LEU QD 4 41 TYR QE . . 6.170 6.038 5.063 6.295 0.125 19 0 "[ . 1 . 2]" 1
2331 2 49 GLN HA 3 9 PRO QG . . 6.930 6.077 4.785 7.033 0.103 16 0 "[ . 1 . 2]" 1
2332 1 9 PRO QG 4 49 GLN HA . . 6.930 5.986 4.561 7.010 0.080 16 0 "[ . 1 . 2]" 1
2333 2 48 LEU QD 3 11 ARG QD . . 6.040 5.614 4.497 6.165 0.125 20 0 "[ . 1 . 2]" 1
2334 1 11 ARG QD 4 48 LEU QD . . 6.040 5.585 4.359 6.159 0.119 8 0 "[ . 1 . 2]" 1
2335 1 6 LEU QB 3 12 GLY H . . 6.230 4.380 3.485 4.944 . 0 0 "[ . 1 . 2]" 1
2336 1 12 GLY H 3 6 LEU QB . . 6.230 4.293 3.301 5.226 . 0 0 "[ . 1 . 2]" 1
2337 1 25 SER QB 2 27 LEU HA . . 5.490 2.941 2.216 3.483 . 0 0 "[ . 1 . 2]" 1
2338 3 25 SER QB 4 27 LEU HA . . 5.490 3.013 2.711 3.574 . 0 0 "[ . 1 . 2]" 1
2339 1 25 SER QB 2 30 MET QB . . 5.490 2.513 2.000 3.300 . 0 0 "[ . 1 . 2]" 1
2340 3 25 SER QB 4 30 MET QB . . 5.490 2.544 2.013 3.483 . 0 0 "[ . 1 . 2]" 1
2341 1 39 THR HA 1 42 GLN QG . . 6.650 4.199 2.967 4.992 . 0 0 "[ . 1 . 2]" 1
2342 3 39 THR HA 3 42 GLN QG . . 6.650 4.114 2.852 5.144 . 0 0 "[ . 1 . 2]" 1
2343 1 42 GLN QG 1 45 GLN QB . . 5.180 4.336 3.789 5.241 0.061 18 0 "[ . 1 . 2]" 1
2344 3 42 GLN QG 3 45 GLN QB . . 5.180 4.325 3.475 5.234 0.054 8 0 "[ . 1 . 2]" 1
2345 2 11 VAL HB 2 20 LEU QD . . 6.340 5.115 4.177 6.446 0.106 2 0 "[ . 1 . 2]" 1
2346 4 11 VAL HB 4 20 LEU QD . . 6.340 4.994 4.269 6.447 0.107 8 0 "[ . 1 . 2]" 1
2347 2 11 VAL QG 2 20 LEU QB . . 5.860 5.268 4.422 5.965 0.105 7 0 "[ . 1 . 2]" 1
2348 4 11 VAL QG 4 20 LEU QB . . 5.860 5.304 4.587 5.972 0.112 6 0 "[ . 1 . 2]" 1
2349 2 12 ARG QB 4 28 GLU QG . . 6.630 6.488 5.686 6.742 0.112 16 0 "[ . 1 . 2]" 1
2350 2 28 GLU QG 4 12 ARG QB . . 6.630 6.645 6.164 6.750 0.120 12 0 "[ . 1 . 2]" 1
2351 2 23 LEU HG 2 26 SER QB . . 5.630 5.164 4.275 5.716 0.086 5 0 "[ . 1 . 2]" 1
2352 4 23 LEU HG 4 26 SER QB . . 5.630 5.168 4.475 5.697 0.067 18 0 "[ . 1 . 2]" 1
2353 2 43 GLN QG 2 47 LEU QD . . 5.370 4.687 2.777 5.450 0.080 17 0 "[ . 1 . 2]" 1
2354 4 43 GLN QG 4 47 LEU QD . . 5.370 4.542 2.623 5.490 0.120 6 0 "[ . 1 . 2]" 1
2355 2 11 VAL QG 4 7 TYR HA . . 6.840 6.061 5.274 6.683 . 0 0 "[ . 1 . 2]" 1
2356 2 7 TYR HA 4 11 VAL QG . . 6.840 6.092 5.420 6.697 . 0 0 "[ . 1 . 2]" 1
2357 1 22 ILE MG 2 23 LEU HB2 . . 5.590 4.350 3.881 5.367 . 0 0 "[ . 1 . 2]" 1
2358 3 22 ILE MG 4 23 LEU HB2 . . 5.590 4.385 3.892 5.384 . 0 0 "[ . 1 . 2]" 1
2359 2 21 MET QG 2 22 LYS H . . 4.890 4.187 3.576 4.434 . 0 0 "[ . 1 . 2]" 1
2360 4 21 MET QG 4 22 LYS H . . 4.890 4.176 3.490 4.383 . 0 0 "[ . 1 . 2]" 1
2361 2 27 LEU H 2 27 LEU QD . . 4.950 2.917 2.361 3.726 . 0 0 "[ . 1 . 2]" 1
2362 4 27 LEU H 4 27 LEU QD . . 4.950 2.809 2.418 3.578 . 0 0 "[ . 1 . 2]" 1
2363 2 20 LEU QB 4 24 LYS QD . . 6.420 4.370 3.665 6.364 . 0 0 "[ . 1 . 2]" 1
2364 2 24 LYS QD 4 20 LEU QB . . 6.420 4.448 3.661 6.421 0.001 4 0 "[ . 1 . 2]" 1
2365 2 11 VAL HB 4 24 LYS HG3 . . 5.850 4.322 3.682 4.716 . 0 0 "[ . 1 . 2]" 1
2366 2 24 LYS HG3 4 11 VAL HB . . 5.850 4.293 3.809 4.561 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 220
_Distance_constraint_stats_list.Viol_count 4295
_Distance_constraint_stats_list.Viol_total 23013.225
_Distance_constraint_stats_list.Viol_max 0.585
_Distance_constraint_stats_list.Viol_rms 0.1580
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2615
_Distance_constraint_stats_list.Viol_average_violations_only 0.2679
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 LEU 26.819 0.520 11 3 "[ - . * 1+ . 2]"
1 8 LEU 25.704 0.568 15 2 "[ . 1 + - 2]"
1 10 VAL 26.812 0.509 7 1 "[ . + 1 . 2]"
1 13 ARG 16.640 0.568 19 9 "[* . -**** *.* +2]"
1 14 GLU 12.173 0.574 7 4 "[ * . + - .* 2]"
1 15 THR 8.505 0.545 8 1 "[ . + 1 . 2]"
1 16 TYR 5.505 0.287 3 0 "[ . 1 . 2]"
1 17 GLU 27.638 0.568 19 11 "[*- . ****** *.* +2]"
1 18 MET 23.598 0.574 7 5 "[ * . + - *.* 2]"
1 19 LEU 18.032 0.545 8 2 "[ .- + 1 . 2]"
1 20 LEU 9.296 0.404 14 0 "[ . 1 . 2]"
1 21 GLU 22.940 0.563 11 10 "[ - *. * **+ **.** 2]"
1 22 ILE 28.441 0.576 17 13 "[** ** **1 *-*.*+ **]"
1 23 LYS 16.654 0.513 6 1 "[ .+ 1 . 2]"
1 24 GLU 9.984 0.547 6 1 "[ .+ 1 . 2]"
1 25 SER 23.718 0.563 11 5 "[ * *. 1+ - . * 2]"
1 26 LEU 28.199 0.576 17 14 "[** ** **1**-*.*+ **]"
1 27 GLU 16.935 0.487 8 0 "[ . 1 . 2]"
1 28 LEU 13.361 0.547 6 1 "[ .+ 1 . 2]"
1 29 MET 11.776 0.491 11 0 "[ . 1 . 2]"
1 30 GLN 11.183 0.560 14 2 "[ . 1- +. 2]"
1 31 TYR 9.808 0.487 8 0 "[ . 1 . 2]"
1 32 LEU 7.169 0.476 3 0 "[ . 1 . 2]"
1 34 GLN 9.721 0.562 7 5 "[ **+ 1 *.- 2]"
1 35 HIS 11.095 0.571 20 6 "[* * . -** . +]"
1 36 THR 9.963 0.526 2 1 "[ + . 1 . 2]"
1 37 ILE 8.224 0.559 11 1 "[ . 1+ . 2]"
1 38 GLU 19.930 0.562 7 6 "[ * **+ 1 -.* 2]"
1 39 THR 16.262 0.571 20 6 "[* * . -** . +]"
1 40 TYR 18.612 0.564 11 3 "[ - . 1+ . *2]"
1 41 ARG 20.655 0.559 11 4 "[ * 1+ *. -2]"
1 42 GLN 18.393 0.577 14 3 "[ * * 1 +. 2]"
1 43 GLN 5.167 0.497 16 0 "[ . 1 . 2]"
1 44 GLN 8.649 0.564 11 2 "[ . 1+ . -2]"
1 45 GLN 12.431 0.548 14 3 "[ * 1 +. -2]"
1 46 GLN 8.185 0.577 14 2 "[ - 1 +. 2]"
2 7 TYR 30.337 0.565 11 8 "[ ** .** -*+* . 2]"
2 9 LEU 32.320 0.525 5 3 "[ * + 1 . - 2]"
2 11 VAL 29.832 0.562 5 7 "[* + ** * * * 2]"
2 14 ARG 20.042 0.583 18 17 "[* **** *-*******+**]"
2 15 LYS 9.090 0.460 9 0 "[ . 1 . 2]"
2 16 ASN 5.444 0.541 10 1 "[ . + . 2]"
2 17 PHE 4.988 0.309 4 0 "[ . 1 . 2]"
2 18 GLU 35.074 0.583 18 18 "[****** *****-***+**]"
2 19 ILE 19.143 0.460 9 0 "[ . 1 . 2]"
2 20 LEU 11.782 0.541 10 1 "[ . + . 2]"
2 21 MET 14.985 0.542 20 1 "[ . 1 . +]"
2 22 LYS 24.356 0.576 18 9 "[ * ** *1* -.* +*2]"
2 23 LEU 23.741 0.544 17 3 "[* . 1- . + 2]"
2 24 LYS 18.094 0.500 20 0 "[ . 1 . 2]"
2 25 GLU 18.781 0.542 20 2 "[ . 1 - . +]"
2 26 SER 16.675 0.550 6 1 "[ .+ 1 . 2]"
2 27 LEU 22.558 0.544 17 3 "[* . 1- . + 2]"
2 28 GLU 25.151 0.500 20 0 "[ . 1 . 2]"
2 29 LEU 20.158 0.559 19 2 "[ . 1 - . +2]"
2 30 MET 7.351 0.432 11 0 "[ . 1 . 2]"
2 31 GLU 8.870 0.487 5 0 "[ . 1 . 2]"
2 32 LEU 13.395 0.487 19 0 "[ . 1 . 2]"
2 33 VAL 11.374 0.559 19 1 "[ . 1 . +2]"
2 36 PRO 18.550 0.585 19 14 "[ * *.*-***** *** *+2]"
2 37 LEU 2.913 0.464 17 0 "[ . 1 . 2]"
2 38 VAL 5.361 0.388 18 0 "[ . 1 . 2]"
2 39 ASP 14.266 0.562 9 8 "[ * .* +* **- *2]"
2 40 SER 30.926 0.585 19 15 "[ -**.******* *** *+2]"
2 41 TYR 5.720 0.464 17 0 "[ . 1 . 2]"
2 42 ARG 12.518 0.388 18 0 "[ . 1 . 2]"
2 43 GLN 33.283 0.562 9 13 "[ -**.** +* * *** **]"
2 44 GLN 12.376 0.553 12 4 "[ -**. 1 + . 2]"
2 45 GLN 2.807 0.169 8 0 "[ . 1 . 2]"
2 46 GLN 7.157 0.373 18 0 "[ . 1 . 2]"
2 47 LEU 19.017 0.543 7 9 "[ -**. + ** * *. *]"
3 6 LEU 26.812 0.509 7 1 "[ . + 1 . 2]"
3 8 LEU 25.704 0.568 15 2 "[ . 1 + - 2]"
3 10 VAL 26.819 0.520 11 3 "[ - . * 1+ . 2]"
3 13 ARG 14.438 0.573 5 8 "[-* + *****. 2]"
3 14 GLU 8.911 0.560 3 2 "[ -+ . 1 . 2]"
3 15 THR 11.413 0.520 1 1 "[+ . 1 . 2]"
3 16 TYR 5.078 0.268 2 0 "[ . 1 . 2]"
3 17 GLU 25.149 0.573 5 8 "[-* + *****. 2]"
3 18 MET 22.033 0.560 3 8 "[**+*. * 1 * - * 2]"
3 19 LEU 18.795 0.520 1 1 "[+ . 1 . 2]"
3 20 LEU 8.677 0.268 2 0 "[ . 1 . 2]"
3 21 GLU 21.741 0.559 17 4 "[ - . * 1* . + 2]"
3 22 ILE 28.384 0.575 13 11 "[** ** ** 1 + -** *]"
3 23 LYS 15.678 0.514 16 1 "[ . 1 .+ 2]"
3 24 GLU 8.183 0.380 7 0 "[ . 1 . 2]"
3 25 SER 22.328 0.559 17 6 "[ * . * ** .-+ 2]"
3 26 LEU 26.687 0.575 13 9 "[ * * * 1* +*.*- *]"
3 27 GLU 16.305 0.514 16 1 "[ . 1 .+ 2]"
3 28 LEU 12.413 0.476 15 0 "[ . 1 . 2]"
3 29 MET 11.298 0.530 17 3 "[ . * .-+ 2]"
3 30 GLN 11.424 0.540 14 2 "[ . 1- +. 2]"
3 31 TYR 8.008 0.460 8 0 "[ . 1 . 2]"
3 32 LEU 7.829 0.476 15 0 "[ . 1 . 2]"
3 34 GLN 11.890 0.560 15 3 "[* .- 1 + 2]"
3 35 HIS 9.526 0.569 20 2 "[ . -1 . +]"
3 36 THR 8.935 0.508 11 2 "[ . 1+ .- 2]"
3 37 ILE 9.619 0.553 19 3 "[ * - . +2]"
3 38 GLU 22.441 0.567 2 6 "[*+ *- 1 * * 2]"
3 39 THR 17.501 0.569 20 3 "[ . -1 .* +]"
3 40 TYR 17.556 0.562 11 2 "[ . 1+ .- 2]"
3 41 ARG 19.821 0.553 19 3 "[ * - . +2]"
3 42 GLN 20.887 0.567 2 5 "[ + * * 1 *. - 2]"
3 43 GLN 7.975 0.516 16 1 "[ . 1 .+ 2]"
3 44 GLN 8.621 0.562 11 1 "[ . 1+ . 2]"
3 45 GLN 10.202 0.536 5 2 "[ + 1 . -2]"
3 46 GLN 10.336 0.564 5 3 "[ + * 1 -. 2]"
4 7 TYR 29.832 0.562 5 7 "[* + ** * * * 2]"
4 9 LEU 32.320 0.525 5 3 "[ * + 1 . - 2]"
4 11 VAL 30.337 0.565 11 8 "[ ** .** -*+* . 2]"
4 14 ARG 20.200 0.583 20 19 "[*****************- +]"
4 15 LYS 9.380 0.497 9 0 "[ . 1 . 2]"
4 16 ASN 5.000 0.502 8 1 "[ . + 1 . 2]"
4 17 PHE 3.425 0.203 19 0 "[ . 1 . 2]"
4 18 GLU 35.437 0.583 20 20 [*************-*****+]
4 19 ILE 18.835 0.545 12 1 "[ . 1 + . 2]"
4 20 LEU 9.369 0.502 8 1 "[ . + 1 . 2]"
4 21 MET 14.428 0.557 6 4 "[ .+ *1- . *]"
4 22 LYS 25.272 0.578 15 9 "[** . 1** *+ **-]"
4 23 LEU 21.186 0.562 11 4 "[* . 1+* - 2]"
4 24 LYS 17.013 0.558 17 3 "[ . -* . + 2]"
4 25 GLU 19.301 0.557 6 4 "[ .+ *1- . *]"
4 26 SER 17.023 0.512 20 1 "[ . 1 . +]"
4 27 LEU 22.550 0.562 11 4 "[* . 1+- * 2]"
4 28 GLU 28.237 0.558 17 7 "[ . * ** *.-+ *2]"
4 29 LEU 19.811 0.518 20 1 "[ . 1 . +]"
4 30 MET 6.987 0.403 15 0 "[ . 1 . 2]"
4 31 GLU 10.819 0.507 12 1 "[ . 1 + . 2]"
4 32 LEU 15.594 0.541 7 4 "[ . + 1 *.- *2]"
4 33 VAL 11.513 0.518 20 1 "[ . 1 . +]"
4 36 PRO 19.004 0.576 19 15 "[** *-***1*** .***+*]"
4 37 LEU 2.480 0.292 17 0 "[ . 1 . 2]"
4 38 VAL 4.991 0.432 11 0 "[ . 1 . 2]"
4 39 ASP 13.262 0.566 9 5 "[* . +1 * .*- 2]"
4 40 SER 31.602 0.576 19 17 "[** *********-.***+*]"
4 41 TYR 5.375 0.292 17 0 "[ . 1 . 2]"
4 42 ARG 12.590 0.475 15 0 "[ . 1 . 2]"
4 43 GLN 31.146 0.566 9 9 "[*- . +* * .****2]"
4 44 GLN 12.598 0.555 10 5 "[ * + * -. * 2]"
4 45 GLN 2.895 0.231 8 0 "[ . 1 . 2]"
4 46 GLN 7.599 0.475 15 0 "[ . 1 . 2]"
4 47 LEU 17.884 0.565 18 7 "[ - . ** * .* +*2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 34 GLN O 1 38 GLU H . . 1.800 2.003 1.749 2.270 0.470 6 0 "[ . 1 . 2]" 2
2 1 34 GLN O 1 38 GLU N . . 2.700 2.977 2.729 3.262 0.562 7 5 "[ **+ 1 *.- 2]" 2
3 1 35 HIS O 1 39 THR H . . 1.800 2.032 1.779 2.263 0.463 20 0 "[ . 1 . 2]" 2
4 1 35 HIS O 1 39 THR N . . 2.700 3.021 2.744 3.271 0.571 20 6 "[* * . -** . +]" 2
5 1 36 THR O 1 40 TYR H . . 1.800 2.013 1.801 2.255 0.455 15 0 "[ . 1 . 2]" 2
6 1 36 THR O 1 40 TYR N . . 2.700 2.985 2.796 3.226 0.526 2 1 "[ + . 1 . 2]" 2
7 1 37 ILE O 1 41 ARG H . . 1.800 1.959 1.804 2.258 0.458 11 0 "[ . 1 . 2]" 2
8 1 37 ILE O 1 41 ARG N . . 2.700 2.952 2.736 3.259 0.559 11 1 "[ . 1+ . 2]" 2
9 1 38 GLU O 1 42 GLN H . . 1.800 2.015 1.801 2.241 0.441 2 0 "[ . 1 . 2]" 2
10 1 38 GLU O 1 42 GLN N . . 2.700 2.995 2.780 3.233 0.533 2 2 "[ + . 1 -. 2]" 2
11 1 39 THR O 1 43 GLN H . . 1.800 1.878 1.771 2.193 0.393 16 0 "[ . 1 . 2]" 2
12 1 39 THR O 1 43 GLN N . . 2.700 2.877 2.775 3.197 0.497 16 0 "[ . 1 . 2]" 2
13 1 40 TYR O 1 44 GLN H . . 1.800 1.975 1.773 2.278 0.478 11 0 "[ . 1 . 2]" 2
14 1 40 TYR O 1 44 GLN N . . 2.700 2.956 2.771 3.264 0.564 11 2 "[ . 1+ . -2]" 2
15 1 41 ARG O 1 45 GLN H . . 1.800 2.078 1.818 2.266 0.466 14 0 "[ . 1 . 2]" 2
16 1 41 ARG O 1 45 GLN N . . 2.700 3.044 2.792 3.248 0.548 14 3 "[ * 1 +. -2]" 2
17 1 42 GLN O 1 46 GLN H . . 1.800 1.972 1.766 2.276 0.476 14 0 "[ . 1 . 2]" 2
18 1 42 GLN O 1 46 GLN N . . 2.700 2.935 2.753 3.277 0.577 14 2 "[ - 1 +. 2]" 2
19 1 13 ARG O 1 17 GLU H . . 1.800 2.170 1.972 2.281 0.481 11 0 "[ . 1 . 2]" 2
20 1 13 ARG O 1 17 GLU N . . 2.700 3.162 2.986 3.268 0.568 19 9 "[* . -**** *.* +2]" 2
21 1 14 GLU O 1 18 MET H . . 1.800 2.055 1.825 2.266 0.466 7 0 "[ . 1 . 2]" 2
22 1 14 GLU O 1 18 MET N . . 2.700 3.053 2.831 3.274 0.574 7 4 "[ * . + - .* 2]" 2
23 1 15 THR O 1 19 LEU H . . 1.800 1.975 1.799 2.259 0.459 8 0 "[ . 1 . 2]" 2
24 1 15 THR O 1 19 LEU N . . 2.700 2.951 2.798 3.245 0.545 8 1 "[ . + 1 . 2]" 2
25 1 16 TYR O 1 20 LEU H . . 1.800 1.904 1.813 2.043 0.243 6 0 "[ . 1 . 2]" 2
26 1 16 TYR O 1 20 LEU N . . 2.700 2.871 2.767 2.987 0.287 3 0 "[ . 1 . 2]" 2
27 1 17 GLU O 1 21 GLU H . . 1.800 2.028 1.833 2.272 0.472 9 0 "[ . 1 . 2]" 2
28 1 17 GLU O 1 21 GLU N . . 2.700 3.022 2.833 3.255 0.555 16 6 "[ - . * ** *.+ 2]" 2
29 1 18 MET O 1 22 ILE H . . 1.800 2.039 1.865 2.239 0.439 14 0 "[ . 1 . 2]" 2
30 1 18 MET O 1 22 ILE N . . 2.700 3.032 2.865 3.232 0.532 2 2 "[ + . 1 -. 2]" 2
31 1 19 LEU O 1 23 LYS H . . 1.800 2.021 1.823 2.273 0.473 19 0 "[ . 1 . 2]" 2
32 1 19 LEU O 1 23 LYS N . . 2.700 2.955 2.740 3.213 0.513 6 1 "[ .+ 1 . 2]" 2
33 1 20 LEU O 1 24 GLU H . . 1.800 1.845 1.761 2.091 0.291 14 0 "[ . 1 . 2]" 2
34 1 20 LEU O 1 24 GLU N . . 2.700 2.837 2.762 3.104 0.404 14 0 "[ . 1 . 2]" 2
35 1 21 GLU O 1 25 SER H . . 1.800 2.060 1.835 2.270 0.470 14 0 "[ . 1 . 2]" 2
36 1 21 GLU O 1 25 SER N . . 2.700 3.037 2.833 3.263 0.563 11 5 "[ * *. 1+ - . * 2]" 2
37 1 22 ILE O 1 26 LEU H . . 1.800 2.182 1.922 2.276 0.476 1 0 "[ . 1 . 2]" 2
38 1 22 ILE O 1 26 LEU N . . 2.700 3.169 2.922 3.276 0.576 17 13 "[** ** **1 *-*.*+ **]" 2
39 1 23 LYS O 1 27 GLU H . . 1.800 1.931 1.782 2.134 0.334 2 0 "[ . 1 . 2]" 2
40 1 23 LYS O 1 27 GLU N . . 2.700 2.923 2.778 3.138 0.438 2 0 "[ . 1 . 2]" 2
41 1 24 GLU O 1 28 LEU H . . 1.800 1.904 1.784 2.258 0.458 6 0 "[ . 1 . 2]" 2
42 1 24 GLU O 1 28 LEU N . . 2.700 2.904 2.793 3.247 0.547 6 1 "[ .+ 1 . 2]" 2
43 1 25 SER O 1 29 MET H . . 1.800 2.062 1.911 2.263 0.463 16 0 "[ . 1 . 2]" 2
44 1 25 SER O 1 29 MET N . . 2.700 3.026 2.889 3.191 0.491 11 0 "[ . 1 . 2]" 2
45 1 26 LEU O 1 30 GLN H . . 1.800 2.063 1.804 2.271 0.471 4 0 "[ . 1 . 2]" 2
46 1 26 LEU O 1 30 GLN N . . 2.700 2.996 2.793 3.260 0.560 14 2 "[ . 1- +. 2]" 2
47 1 27 GLU O 1 31 TYR H . . 1.800 2.085 1.749 2.287 0.487 8 0 "[ . 1 . 2]" 2
48 1 27 GLU O 1 31 TYR N . . 2.700 2.903 2.729 3.105 0.405 18 0 "[ . 1 . 2]" 2
49 1 28 LEU O 1 32 LEU H . . 1.800 1.972 1.828 2.276 0.476 3 0 "[ . 1 . 2]" 2
50 1 28 LEU O 1 32 LEU N . . 2.700 2.887 2.775 3.102 0.402 3 0 "[ . 1 . 2]" 2
51 3 34 GLN O 3 38 GLU H . . 1.800 2.067 1.787 2.263 0.463 15 0 "[ . 1 . 2]" 2
52 3 34 GLN O 3 38 GLU N . . 2.700 3.027 2.756 3.260 0.560 15 3 "[* .- 1 + 2]" 2
53 3 35 HIS O 3 39 THR H . . 1.800 1.991 1.834 2.254 0.454 20 0 "[ . 1 . 2]" 2
54 3 35 HIS O 3 39 THR N . . 2.700 2.985 2.782 3.269 0.569 20 2 "[ . -1 . +]" 2
55 3 36 THR O 3 40 TYR H . . 1.800 1.990 1.798 2.275 0.475 11 0 "[ . 1 . 2]" 2
56 3 36 THR O 3 40 TYR N . . 2.700 2.957 2.774 3.208 0.508 11 2 "[ . 1+ .- 2]" 2
57 3 37 ILE O 3 41 ARG H . . 1.800 1.992 1.797 2.268 0.468 5 0 "[ . 1 . 2]" 2
58 3 37 ILE O 3 41 ARG N . . 2.700 2.988 2.775 3.253 0.553 19 3 "[ * - . +2]" 2
59 3 38 GLU O 3 42 GLN H . . 1.800 2.025 1.736 2.273 0.473 17 0 "[ . 1 . 2]" 2
60 3 38 GLU O 3 42 GLN N . . 2.700 2.999 2.725 3.267 0.567 2 3 "[ + * 1 . - 2]" 2
61 3 39 THR O 3 43 GLN H . . 1.800 1.955 1.772 2.242 0.442 16 0 "[ . 1 . 2]" 2
62 3 39 THR O 3 43 GLN N . . 2.700 2.942 2.776 3.216 0.516 16 1 "[ . 1 .+ 2]" 2
63 3 40 TYR O 3 44 GLN H . . 1.800 1.972 1.790 2.267 0.467 11 0 "[ . 1 . 2]" 2
64 3 40 TYR O 3 44 GLN N . . 2.700 2.958 2.754 3.262 0.562 11 1 "[ . 1+ . 2]" 2
65 3 41 ARG O 3 45 GLN H . . 1.800 2.019 1.837 2.268 0.468 5 0 "[ . 1 . 2]" 2
66 3 41 ARG O 3 45 GLN N . . 2.700 2.991 2.818 3.236 0.536 5 2 "[ + 1 . -2]" 2
67 3 42 GLN O 3 46 GLN H . . 1.800 2.028 1.821 2.279 0.479 8 0 "[ . 1 . 2]" 2
68 3 42 GLN O 3 46 GLN N . . 2.700 2.989 2.799 3.264 0.564 5 3 "[ + * 1 -. 2]" 2
69 3 13 ARG O 3 17 GLU H . . 1.800 2.110 1.863 2.272 0.472 11 0 "[ . 1 . 2]" 2
70 3 13 ARG O 3 17 GLU N . . 2.700 3.112 2.858 3.273 0.573 5 8 "[-* + *****. 2]" 2
71 3 14 GLU O 3 18 MET H . . 1.800 1.974 1.834 2.246 0.446 3 0 "[ . 1 . 2]" 2
72 3 14 GLU O 3 18 MET N . . 2.700 2.972 2.832 3.260 0.560 3 2 "[ -+ . 1 . 2]" 2
73 3 15 THR O 3 19 LEU H . . 1.800 2.055 1.859 2.263 0.463 1 0 "[ . 1 . 2]" 2
74 3 15 THR O 3 19 LEU N . . 2.700 3.016 2.823 3.220 0.520 1 1 "[+ . 1 . 2]" 2
75 3 16 TYR O 3 20 LEU H . . 1.800 1.890 1.792 2.007 0.207 2 0 "[ . 1 . 2]" 2
76 3 16 TYR O 3 20 LEU N . . 2.700 2.863 2.783 2.968 0.268 2 0 "[ . 1 . 2]" 2
77 3 17 GLU O 3 21 GLU H . . 1.800 2.016 1.745 2.241 0.441 19 0 "[ . 1 . 2]" 2
78 3 17 GLU O 3 21 GLU N . . 2.700 3.017 2.743 3.191 0.491 3 0 "[ . 1 . 2]" 2
79 3 18 MET O 3 22 ILE H . . 1.800 2.081 1.826 2.267 0.467 13 0 "[ . 1 . 2]" 2
80 3 18 MET O 3 22 ILE N . . 2.700 3.075 2.818 3.248 0.548 17 6 "[* *. * 1 * - + 2]" 2
81 3 19 LEU O 3 23 LYS H . . 1.800 1.963 1.824 2.239 0.439 16 0 "[ . 1 . 2]" 2
82 3 19 LEU O 3 23 LYS N . . 2.700 2.906 2.742 3.134 0.434 16 0 "[ . 1 . 2]" 2
83 3 20 LEU O 3 24 GLU H . . 1.800 1.843 1.766 2.015 0.215 16 0 "[ . 1 . 2]" 2
84 3 20 LEU O 3 24 GLU N . . 2.700 2.833 2.760 2.923 0.223 16 0 "[ . 1 . 2]" 2
85 3 21 GLU O 3 25 SER H . . 1.800 2.034 1.845 2.275 0.475 7 0 "[ . 1 . 2]" 2
86 3 21 GLU O 3 25 SER N . . 2.700 3.017 2.836 3.259 0.559 17 4 "[ - . * 1* . + 2]" 2
87 3 22 ILE O 3 26 LEU H . . 1.800 2.138 1.961 2.272 0.472 2 0 "[ . 1 . 2]" 2
88 3 22 ILE O 3 26 LEU N . . 2.700 3.125 2.936 3.275 0.575 13 7 "[ * * * 1 + .*- *]" 2
89 3 23 LYS O 3 27 GLU H . . 1.800 1.965 1.781 2.250 0.450 16 0 "[ . 1 . 2]" 2
90 3 23 LYS O 3 27 GLU N . . 2.700 2.949 2.767 3.214 0.514 16 1 "[ . 1 .+ 2]" 2
91 3 24 GLU O 3 28 LEU H . . 1.800 1.865 1.784 2.067 0.267 7 0 "[ . 1 . 2]" 2
92 3 24 GLU O 3 28 LEU N . . 2.700 2.863 2.788 3.080 0.380 7 0 "[ . 1 . 2]" 2
93 3 25 SER O 3 29 MET H . . 1.800 2.049 1.747 2.276 0.476 17 0 "[ . 1 . 2]" 2
94 3 25 SER O 3 29 MET N . . 2.700 3.013 2.749 3.230 0.530 17 3 "[ . * .-+ 2]" 2
95 3 26 LEU O 3 30 GLN H . . 1.800 2.064 1.872 2.283 0.483 14 0 "[ . 1 . 2]" 2
96 3 26 LEU O 3 30 GLN N . . 2.700 3.007 2.850 3.240 0.540 14 2 "[ . 1- +. 2]" 2
97 3 27 GLU O 3 31 TYR H . . 1.800 2.040 1.804 2.260 0.460 8 0 "[ . 1 . 2]" 2
98 3 27 GLU O 3 31 TYR N . . 2.700 2.861 2.767 3.068 0.368 17 0 "[ . 1 . 2]" 2
99 3 28 LEU O 3 32 LEU H . . 1.800 1.991 1.773 2.276 0.476 15 0 "[ . 1 . 2]" 2
100 3 28 LEU O 3 32 LEU N . . 2.700 2.899 2.772 3.018 0.318 17 0 "[ . 1 . 2]" 2
101 1 10 VAL O 3 6 LEU H . . 1.800 2.156 1.898 2.275 0.475 19 0 "[ . 1 . 2]" 2
102 1 10 VAL O 3 6 LEU N . . 2.700 3.049 2.845 3.209 0.509 7 1 "[ . + 1 . 2]" 2
103 1 8 LEU O 3 8 LEU H . . 1.800 2.143 1.934 2.276 0.476 9 0 "[ . 1 . 2]" 2
104 1 8 LEU O 3 8 LEU N . . 2.700 3.004 2.857 3.268 0.568 15 2 "[ . 1 + - 2]" 2
105 1 6 LEU O 3 10 VAL H . . 1.800 2.124 1.899 2.278 0.478 11 0 "[ . 1 . 2]" 2
106 1 6 LEU O 3 10 VAL N . . 2.700 3.051 2.854 3.220 0.520 11 2 "[ . - 1+ . 2]" 2
107 1 6 LEU H 3 10 VAL O . . 1.800 2.129 1.870 2.270 0.470 15 0 "[ . 1 . 2]" 2
108 1 6 LEU N 3 10 VAL O . . 2.700 3.038 2.849 3.205 0.505 2 1 "[ + . 1 . 2]" 2
109 1 8 LEU H 3 8 LEU O . . 1.800 2.131 1.879 2.279 0.479 16 0 "[ . 1 . 2]" 2
110 1 8 LEU N 3 8 LEU O . . 2.700 3.008 2.837 3.192 0.492 8 0 "[ . 1 . 2]" 2
111 1 10 VAL H 3 6 LEU O . . 1.800 2.100 1.902 2.277 0.477 8 0 "[ . 1 . 2]" 2
112 1 10 VAL N 3 6 LEU O . . 2.700 3.036 2.885 3.183 0.483 11 0 "[ . 1 . 2]" 2
113 2 7 TYR O 4 11 VAL H . . 1.800 2.150 1.987 2.267 0.467 11 0 "[ . 1 . 2]" 2
114 2 7 TYR O 4 11 VAL N . . 2.700 3.124 2.953 3.265 0.565 11 6 "[ ** .-* *+ . 2]" 2
115 2 9 LEU O 4 9 LEU H . . 1.800 2.230 2.039 2.283 0.483 16 0 "[ . 1 . 2]" 2
116 2 9 LEU O 4 9 LEU N . . 2.700 3.103 2.938 3.224 0.524 2 1 "[ + . 1 . 2]" 2
117 2 11 VAL O 4 7 TYR H . . 1.800 2.140 1.831 2.283 0.483 12 0 "[ . 1 . 2]" 2
118 2 11 VAL O 4 7 TYR N . . 2.700 3.082 2.811 3.234 0.534 17 6 "[* - ** * . + 2]" 2
119 2 11 VAL H 4 7 TYR O . . 1.800 2.149 1.997 2.269 0.469 1 0 "[ . 1 . 2]" 2
120 2 11 VAL N 4 7 TYR O . . 2.700 3.121 2.960 3.262 0.562 5 5 "[* + * * - 2]" 2
121 2 9 LEU H 4 9 LEU O . . 1.800 2.211 1.976 2.287 0.487 13 0 "[ . 1 . 2]" 2
122 2 9 LEU N 4 9 LEU O . . 2.700 3.073 2.931 3.225 0.525 5 2 "[ + 1 . - 2]" 2
123 2 7 TYR H 4 11 VAL O . . 1.800 2.154 1.847 2.289 0.489 6 0 "[ . 1 . 2]" 2
124 2 7 TYR N 4 11 VAL O . . 2.700 3.089 2.859 3.216 0.516 6 3 "[ .+ -1 * . 2]" 2
125 2 36 PRO O 2 40 SER H . . 1.800 2.215 1.941 2.276 0.476 18 0 "[ . 1 . 2]" 2
126 2 36 PRO O 2 40 SER N . . 2.700 3.213 2.916 3.285 0.585 19 14 "[ * *.*-***** *** *+2]" 2
127 2 37 LEU O 2 41 TYR H . . 1.800 1.824 1.765 2.203 0.403 17 0 "[ . 1 . 2]" 2
128 2 37 LEU O 2 41 TYR N . . 2.700 2.810 2.736 3.164 0.464 17 0 "[ . 1 . 2]" 2
129 2 38 VAL O 2 42 ARG H . . 1.800 1.905 1.771 2.186 0.386 18 0 "[ . 1 . 2]" 2
130 2 38 VAL O 2 42 ARG N . . 2.700 2.862 2.776 3.088 0.388 18 0 "[ . 1 . 2]" 2
131 2 39 ASP O 2 43 GLN H . . 1.800 2.113 1.900 2.277 0.477 16 0 "[ . 1 . 2]" 2
132 2 39 ASP O 2 43 GLN N . . 2.700 3.100 2.878 3.262 0.562 9 8 "[ * .* +* **- *2]" 2
133 2 40 SER O 2 44 GLN H . . 1.800 2.060 1.836 2.254 0.454 4 0 "[ . 1 . 2]" 2
134 2 40 SER O 2 44 GLN N . . 2.700 3.059 2.829 3.253 0.553 12 4 "[ -**. 1 + . 2]" 2
135 2 41 TYR O 2 45 GLN H . . 1.800 1.827 1.764 1.889 0.089 7 0 "[ . 1 . 2]" 2
136 2 41 TYR O 2 45 GLN N . . 2.700 2.808 2.754 2.869 0.169 8 0 "[ . 1 . 2]" 2
137 2 42 ARG O 2 46 GLN H . . 1.800 1.989 1.837 2.167 0.367 16 0 "[ . 1 . 2]" 2
138 2 42 ARG O 2 46 GLN N . . 2.700 2.869 2.776 3.073 0.373 18 0 "[ . 1 . 2]" 2
139 2 43 GLN O 2 47 LEU H . . 1.800 2.266 2.135 2.295 0.495 1 0 "[ . 1 . 2]" 2
140 2 43 GLN O 2 47 LEU N . . 2.700 3.185 3.074 3.243 0.543 7 9 "[ -**. + ** * *. *]" 2
141 2 14 ARG O 2 18 GLU H . . 1.800 2.250 2.139 2.286 0.486 20 0 "[ . 1 . 2]" 2
142 2 14 ARG O 2 18 GLU N . . 2.700 3.252 3.150 3.283 0.583 18 17 "[* **** *-*******+**]" 2
143 2 15 LYS O 2 19 ILE H . . 1.800 1.973 1.852 2.145 0.345 9 0 "[ . 1 . 2]" 2
144 2 15 LYS O 2 19 ILE N . . 2.700 2.982 2.868 3.160 0.460 9 0 "[ . 1 . 2]" 2
145 2 16 ASN O 2 20 LEU H . . 1.800 1.888 1.714 2.278 0.478 10 0 "[ . 1 . 2]" 2
146 2 16 ASN O 2 20 LEU N . . 2.700 2.873 2.699 3.241 0.541 10 1 "[ . + . 2]" 2
147 2 17 PHE O 2 21 MET H . . 1.800 1.907 1.812 2.109 0.309 4 0 "[ . 1 . 2]" 2
148 2 17 PHE O 2 21 MET N . . 2.700 2.842 2.774 2.995 0.295 4 0 "[ . 1 . 2]" 2
149 2 18 GLU O 2 22 LYS H . . 1.800 2.125 1.907 2.271 0.471 2 0 "[ . 1 . 2]" 2
150 2 18 GLU O 2 22 LYS N . . 2.700 3.126 2.895 3.276 0.576 18 8 "[ * * *1* -.* +*2]" 2
151 2 19 ILE O 2 23 LEU H . . 1.800 2.000 1.840 2.146 0.346 5 0 "[ . 1 . 2]" 2
152 2 19 ILE O 2 23 LEU N . . 2.700 3.003 2.855 3.134 0.434 16 0 "[ . 1 . 2]" 2
153 2 20 LEU O 2 24 LYS H . . 1.800 1.961 1.791 2.226 0.426 17 0 "[ . 1 . 2]" 2
154 2 20 LEU O 2 24 LYS N . . 2.700 2.855 2.749 3.019 0.319 4 0 "[ . 1 . 2]" 2
155 2 21 MET O 2 25 GLU H . . 1.800 2.001 1.847 2.258 0.458 20 0 "[ . 1 . 2]" 2
156 2 21 MET O 2 25 GLU N . . 2.700 2.999 2.864 3.242 0.542 20 1 "[ . 1 . +]" 2
157 2 22 LYS O 2 26 SER H . . 1.800 1.998 1.815 2.262 0.462 6 0 "[ . 1 . 2]" 2
158 2 22 LYS O 2 26 SER N . . 2.700 2.968 2.808 3.250 0.550 6 1 "[ .+ 1 . 2]" 2
159 2 23 LEU O 2 27 LEU H . . 1.800 2.116 1.885 2.267 0.467 11 0 "[ . 1 . 2]" 2
160 2 23 LEU O 2 27 LEU N . . 2.700 3.068 2.846 3.244 0.544 17 3 "[* . 1- . + 2]" 2
161 2 24 LYS O 2 28 GLU H . . 1.800 2.063 1.888 2.246 0.446 20 0 "[ . 1 . 2]" 2
162 2 24 LYS O 2 28 GLU N . . 2.700 3.024 2.851 3.200 0.500 20 0 "[ . 1 . 2]" 2
163 2 25 GLU O 2 29 LEU H . . 1.800 1.979 1.837 2.261 0.461 13 0 "[ . 1 . 2]" 2
164 2 25 GLU O 2 29 LEU N . . 2.700 2.960 2.835 3.229 0.529 13 1 "[ . 1 + . 2]" 2
165 2 26 SER O 2 30 MET H . . 1.800 1.947 1.813 2.147 0.347 4 0 "[ . 1 . 2]" 2
166 2 26 SER O 2 30 MET N . . 2.700 2.920 2.799 3.132 0.432 11 0 "[ . 1 . 2]" 2
167 2 27 LEU O 2 31 GLU H . . 1.800 2.057 1.886 2.287 0.487 5 0 "[ . 1 . 2]" 2
168 2 27 LEU O 2 31 GLU N . . 2.700 2.886 2.768 3.099 0.399 16 0 "[ . 1 . 2]" 2
169 2 28 GLU O 2 32 LEU H . . 1.800 2.138 1.821 2.286 0.486 17 0 "[ . 1 . 2]" 2
170 2 28 GLU O 2 32 LEU N . . 2.700 3.032 2.767 3.187 0.487 19 0 "[ . 1 . 2]" 2
171 2 29 LEU O 2 33 VAL H . . 1.800 2.059 1.767 2.285 0.485 19 0 "[ . 1 . 2]" 2
172 2 29 LEU O 2 33 VAL N . . 2.700 3.008 2.749 3.259 0.559 19 1 "[ . 1 . +2]" 2
173 4 36 PRO O 4 40 SER H . . 1.800 2.226 2.013 2.277 0.477 2 0 "[ . 1 . 2]" 2
174 4 36 PRO O 4 40 SER N . . 2.700 3.224 3.027 3.276 0.576 19 15 "[** *-***1*** .***+*]" 2
175 4 37 LEU O 4 41 TYR H . . 1.800 1.809 1.711 2.000 0.200 17 0 "[ . 1 . 2]" 2
176 4 37 LEU O 4 41 TYR N . . 2.700 2.800 2.718 2.992 0.292 17 0 "[ . 1 . 2]" 2
177 4 38 VAL O 4 42 ARG H . . 1.800 1.887 1.757 2.141 0.341 11 0 "[ . 1 . 2]" 2
178 4 38 VAL O 4 42 ARG N . . 2.700 2.856 2.748 3.132 0.432 11 0 "[ . 1 . 2]" 2
179 4 39 ASP O 4 43 GLN H . . 1.800 2.087 1.848 2.272 0.472 16 0 "[ . 1 . 2]" 2
180 4 39 ASP O 4 43 GLN N . . 2.700 3.076 2.816 3.266 0.566 9 5 "[* . +1 * .*- 2]" 2
181 4 40 SER O 4 44 GLN H . . 1.800 2.065 1.886 2.254 0.454 10 0 "[ . 1 . 2]" 2
182 4 40 SER O 4 44 GLN N . . 2.700 3.065 2.876 3.255 0.555 10 5 "[ * + * -. * 2]" 2
183 4 41 TYR O 4 45 GLN H . . 1.800 1.837 1.762 2.031 0.231 8 0 "[ . 1 . 2]" 2
184 4 41 TYR O 4 45 GLN N . . 2.700 2.801 2.727 2.916 0.216 7 0 "[ . 1 . 2]" 2
185 4 42 ARG O 4 46 GLN H . . 1.800 1.995 1.802 2.264 0.464 13 0 "[ . 1 . 2]" 2
186 4 42 ARG O 4 46 GLN N . . 2.700 2.885 2.737 3.175 0.475 15 0 "[ . 1 . 2]" 2
187 4 43 GLN O 4 47 LEU H . . 1.800 2.234 1.963 2.294 0.494 18 0 "[ . 1 . 2]" 2
188 4 43 GLN O 4 47 LEU N . . 2.700 3.161 2.952 3.265 0.565 18 7 "[ - . ** * .* +*2]" 2
189 4 14 ARG O 4 18 GLU H . . 1.800 2.254 2.211 2.273 0.473 14 0 "[ . 1 . 2]" 2
190 4 14 ARG O 4 18 GLU N . . 2.700 3.256 3.188 3.283 0.583 20 19 "[*****************- +]" 2
191 4 15 LYS O 4 19 ILE H . . 1.800 1.979 1.848 2.182 0.382 9 0 "[ . 1 . 2]" 2
192 4 15 LYS O 4 19 ILE N . . 2.700 2.990 2.856 3.197 0.497 9 0 "[ . 1 . 2]" 2
193 4 16 ASN O 4 20 LEU H . . 1.800 1.881 1.757 2.271 0.471 8 0 "[ . 1 . 2]" 2
194 4 16 ASN O 4 20 LEU N . . 2.700 2.865 2.766 3.202 0.502 8 1 "[ . + 1 . 2]" 2
195 4 17 PHE O 4 21 MET H . . 1.800 1.858 1.776 1.955 0.155 18 0 "[ . 1 . 2]" 2
196 4 17 PHE O 4 21 MET N . . 2.700 2.811 2.734 2.903 0.203 19 0 "[ . 1 . 2]" 2
197 4 18 GLU O 4 22 LYS H . . 1.800 2.132 1.871 2.274 0.474 19 0 "[ . 1 . 2]" 2
198 4 18 GLU O 4 22 LYS N . . 2.700 3.130 2.876 3.278 0.578 15 8 "[** . 1** -+ **2]" 2
199 4 19 ILE O 4 23 LEU H . . 1.800 1.985 1.870 2.235 0.435 12 0 "[ . 1 . 2]" 2
200 4 19 ILE O 4 23 LEU N . . 2.700 2.988 2.848 3.245 0.545 12 1 "[ . 1 + . 2]" 2
201 4 20 LEU O 4 24 LYS H . . 1.800 1.902 1.774 2.173 0.373 10 0 "[ . 1 . 2]" 2
202 4 20 LEU O 4 24 LYS N . . 2.700 2.814 2.743 2.997 0.297 10 0 "[ . 1 . 2]" 2
203 4 21 MET O 4 25 GLU H . . 1.800 2.026 1.799 2.254 0.454 6 0 "[ . 1 . 2]" 2
204 4 21 MET O 4 25 GLU N . . 2.700 3.024 2.794 3.257 0.557 6 4 "[ .+ *1- . *]" 2
205 4 22 LYS O 4 26 SER H . . 1.800 2.017 1.853 2.261 0.461 20 0 "[ . 1 . 2]" 2
206 4 22 LYS O 4 26 SER N . . 2.700 2.984 2.778 3.212 0.512 20 1 "[ . 1 . +]" 2
207 4 23 LEU O 4 27 LEU H . . 1.800 2.058 1.840 2.264 0.464 11 0 "[ . 1 . 2]" 2
208 4 23 LEU O 4 27 LEU N . . 2.700 3.029 2.827 3.262 0.562 11 3 "[* . 1+ - 2]" 2
209 4 24 LYS O 4 28 GLU H . . 1.800 2.093 1.921 2.276 0.476 17 0 "[ . 1 . 2]" 2
210 4 24 LYS O 4 28 GLU N . . 2.700 3.039 2.811 3.258 0.558 17 3 "[ . -* . + 2]" 2
211 4 25 GLU O 4 29 LEU H . . 1.800 1.963 1.784 2.203 0.403 4 0 "[ . 1 . 2]" 2
212 4 25 GLU O 4 29 LEU N . . 2.700 2.951 2.783 3.183 0.483 13 0 "[ . 1 . 2]" 2
213 4 26 SER O 4 30 MET H . . 1.800 1.939 1.811 2.092 0.292 15 0 "[ . 1 . 2]" 2
214 4 26 SER O 4 30 MET N . . 2.700 2.910 2.771 3.103 0.403 15 0 "[ . 1 . 2]" 2
215 4 27 LEU O 4 31 GLU H . . 1.800 2.104 1.887 2.277 0.477 16 0 "[ . 1 . 2]" 2
216 4 27 LEU O 4 31 GLU N . . 2.700 2.937 2.744 3.207 0.507 12 1 "[ . 1 + . 2]" 2
217 4 28 GLU O 4 32 LEU H . . 1.800 2.193 1.903 2.285 0.485 14 0 "[ . 1 . 2]" 2
218 4 28 GLU O 4 32 LEU N . . 2.700 3.086 2.909 3.241 0.541 7 4 "[ . + 1 *.- *2]" 2
219 4 29 LEU O 4 33 VAL H . . 1.800 2.067 1.779 2.269 0.469 10 0 "[ . 1 . 2]" 2
220 4 29 LEU O 4 33 VAL N . . 2.700 3.008 2.764 3.218 0.518 20 1 "[ . 1 . +]" 2
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