NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571499 |
2mak   |
19363 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mak
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 2732
_Distance_constraint_stats_list.Viol_count 6847
_Distance_constraint_stats_list.Viol_total 7473.538
_Distance_constraint_stats_list.Viol_max 0.560
_Distance_constraint_stats_list.Viol_rms 0.0276
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0546
_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 SER 0.310 0.157 3 0 "[ . 1 . 2]"
1 3 HIS 0.310 0.157 3 0 "[ . 1 . 2]"
1 4 MET 0.200 0.050 14 0 "[ . 1 . 2]"
1 5 ALA 0.200 0.050 14 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.456 0.070 14 0 "[ . 1 . 2]"
1 8 ARG 0.199 0.072 6 0 "[ . 1 . 2]"
1 9 GLN 0.773 0.128 15 0 "[ . 1 . 2]"
1 10 LYS 0.493 0.128 15 0 "[ . 1 . 2]"
1 11 TYR 3.179 0.132 18 0 "[ . 1 . 2]"
1 12 ALA 0.563 0.072 6 0 "[ . 1 . 2]"
1 13 GLU 0.241 0.063 5 0 "[ . 1 . 2]"
1 14 GLU 1.821 0.132 18 0 "[ . 1 . 2]"
1 15 GLU 1.191 0.159 7 0 "[ . 1 . 2]"
1 16 LEU 5.318 0.113 14 0 "[ . 1 . 2]"
1 17 GLU 2.363 0.115 20 0 "[ . 1 . 2]"
1 18 GLN 1.208 0.057 10 0 "[ . 1 . 2]"
1 19 VAL 2.774 0.111 9 0 "[ . 1 . 2]"
1 20 ARG 7.643 0.354 4 0 "[ . 1 . 2]"
1 21 GLU 0.254 0.059 16 0 "[ . 1 . 2]"
1 22 ALA 5.986 0.354 4 0 "[ . 1 . 2]"
1 23 LEU 6.505 0.125 11 0 "[ . 1 . 2]"
1 24 ARG 0.583 0.073 3 0 "[ . 1 . 2]"
1 25 LYS 3.766 0.163 6 0 "[ . 1 . 2]"
1 26 ALA 2.487 0.180 16 0 "[ . 1 . 2]"
1 27 GLU 3.280 0.126 12 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 2.409 0.180 16 0 "[ . 1 . 2]"
1 30 LEU 13.412 0.182 8 0 "[ . 1 . 2]"
1 31 GLU 7.548 0.138 16 0 "[ . 1 . 2]"
1 32 SER 2.607 0.182 8 0 "[ . 1 . 2]"
1 33 HIS 0.155 0.036 5 0 "[ . 1 . 2]"
1 34 SER 0.718 0.080 13 0 "[ . 1 . 2]"
1 35 SER 2.189 0.097 4 0 "[ . 1 . 2]"
1 36 TRP 10.304 0.560 9 1 "[ . +1 . 2]"
1 37 TYR 30.560 0.560 9 1 "[ . +1 . 2]"
1 38 ALA 1.675 0.102 1 0 "[ . 1 . 2]"
1 39 PRO 2.435 0.129 11 0 "[ . 1 . 2]"
1 40 GLU 0.264 0.047 12 0 "[ . 1 . 2]"
1 41 ALA 0.259 0.067 5 0 "[ . 1 . 2]"
1 42 LEU 5.238 0.128 2 0 "[ . 1 . 2]"
1 43 GLN 1.219 0.128 2 0 "[ . 1 . 2]"
1 44 LYS 0.070 0.053 8 0 "[ . 1 . 2]"
1 45 TRP 6.062 0.148 11 0 "[ . 1 . 2]"
1 46 LEU 7.583 0.129 1 0 "[ . 1 . 2]"
1 47 GLN 0.526 0.129 1 0 "[ . 1 . 2]"
1 48 LEU 2.342 0.129 1 0 "[ . 1 . 2]"
1 49 THR 4.296 0.148 11 0 "[ . 1 . 2]"
1 50 HIS 1.418 0.139 17 0 "[ . 1 . 2]"
1 51 GLU 0.251 0.059 11 0 "[ . 1 . 2]"
1 52 VAL 5.471 0.139 17 0 "[ . 1 . 2]"
1 53 GLU 0.656 0.077 7 0 "[ . 1 . 2]"
1 54 VAL 0.094 0.033 1 0 "[ . 1 . 2]"
1 55 GLN 1.278 0.087 5 0 "[ . 1 . 2]"
1 56 TYR 6.479 0.245 12 0 "[ . 1 . 2]"
1 57 TYR 7.583 0.245 12 0 "[ . 1 . 2]"
1 58 ASN 6.595 0.182 18 0 "[ . 1 . 2]"
1 59 ILE 8.533 0.146 3 0 "[ . 1 . 2]"
1 60 LYS 5.338 0.111 7 0 "[ . 1 . 2]"
1 61 LYS 2.362 0.111 7 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 2.268 0.141 2 0 "[ . 1 . 2]"
1 64 ALA 3.697 0.146 9 0 "[ . 1 . 2]"
1 65 GLU 2.072 0.162 19 0 "[ . 1 . 2]"
1 66 LYS 0.446 0.055 20 0 "[ . 1 . 2]"
1 67 GLN 3.533 0.198 2 0 "[ . 1 . 2]"
1 68 LEU 1.075 0.095 13 0 "[ . 1 . 2]"
1 69 LEU 0.065 0.044 7 0 "[ . 1 . 2]"
1 70 VAL 1.854 0.198 2 0 "[ . 1 . 2]"
1 71 ALA 0.384 0.116 1 0 "[ . 1 . 2]"
1 72 LYS 0.827 0.151 18 0 "[ . 1 . 2]"
1 73 GLU 0.302 0.047 9 0 "[ . 1 . 2]"
1 74 GLY 0.788 0.101 8 0 "[ . 1 . 2]"
1 75 ALA 3.396 0.118 5 0 "[ . 1 . 2]"
1 76 GLU 3.046 0.146 18 0 "[ . 1 . 2]"
1 77 LYS 3.689 0.118 5 0 "[ . 1 . 2]"
1 78 ILE 5.590 0.159 10 0 "[ . 1 . 2]"
1 79 LYS 2.393 0.159 10 0 "[ . 1 . 2]"
1 80 LYS 1.195 0.360 10 0 "[ . 1 . 2]"
1 81 LYS 1.812 0.360 10 0 "[ . 1 . 2]"
1 82 ARG 0.417 0.077 10 0 "[ . 1 . 2]"
2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 SER 1.990 0.111 18 0 "[ . 1 . 2]"
2 3 GLU 1.845 0.077 10 0 "[ . 1 . 2]"
2 4 LEU 2.670 0.149 9 0 "[ . 1 . 2]"
2 5 ASN 6.674 0.174 15 0 "[ . 1 . 2]"
2 6 GLU 7.313 0.174 15 0 "[ . 1 . 2]"
2 7 LEU 5.625 0.118 7 0 "[ . 1 . 2]"
2 8 ALA 6.222 0.147 4 0 "[ . 1 . 2]"
2 9 GLU 5.038 0.089 11 0 "[ . 1 . 2]"
2 10 PHE 4.532 0.164 1 0 "[ . 1 . 2]"
2 11 ALA 4.978 0.131 6 0 "[ . 1 . 2]"
2 12 ARG 8.576 0.164 1 0 "[ . 1 . 2]"
2 13 LEU 1.554 0.058 2 0 "[ . 1 . 2]"
2 14 GLN 6.005 0.131 6 0 "[ . 1 . 2]"
2 15 ASP 2.360 0.127 17 0 "[ . 1 . 2]"
2 16 GLN 6.129 0.138 19 0 "[ . 1 . 2]"
2 17 LEU 7.584 0.133 11 0 "[ . 1 . 2]"
2 18 ASP 5.937 0.138 19 0 "[ . 1 . 2]"
2 19 HIS 5.332 0.166 8 0 "[ . 1 . 2]"
2 20 ARG 7.669 0.166 8 0 "[ . 1 . 2]"
2 21 GLY 1.141 0.094 17 0 "[ . 1 . 2]"
2 22 ASP 1.104 0.098 13 0 "[ . 1 . 2]"
2 23 HIS 2.285 0.129 11 0 "[ . 1 . 2]"
3 2 SER 0.277 0.143 3 0 "[ . 1 . 2]"
3 3 HIS 0.277 0.143 3 0 "[ . 1 . 2]"
3 4 MET 0.218 0.059 14 0 "[ . 1 . 2]"
3 5 ALA 0.218 0.059 14 0 "[ . 1 . 2]"
3 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 7 SER 0.439 0.078 14 0 "[ . 1 . 2]"
3 8 ARG 0.237 0.086 16 0 "[ . 1 . 2]"
3 9 GLN 0.727 0.102 3 0 "[ . 1 . 2]"
3 10 LYS 0.454 0.102 3 0 "[ . 1 . 2]"
3 11 TYR 1.409 0.119 2 0 "[ . 1 . 2]"
3 12 ALA 0.403 0.055 4 0 "[ . 1 . 2]"
3 13 GLU 0.249 0.093 5 0 "[ . 1 . 2]"
3 14 GLU 0.245 0.093 5 0 "[ . 1 . 2]"
3 15 GLU 1.097 0.159 7 0 "[ . 1 . 2]"
3 16 LEU 5.230 0.113 14 0 "[ . 1 . 2]"
3 17 GLU 2.297 0.117 20 0 "[ . 1 . 2]"
3 18 GLN 1.161 0.058 11 0 "[ . 1 . 2]"
3 19 VAL 2.776 0.121 9 0 "[ . 1 . 2]"
3 20 ARG 7.796 0.353 4 0 "[ . 1 . 2]"
3 21 GLU 0.176 0.040 18 0 "[ . 1 . 2]"
3 22 ALA 6.040 0.353 4 0 "[ . 1 . 2]"
3 23 LEU 6.584 0.125 10 0 "[ . 1 . 2]"
3 24 ARG 0.378 0.076 3 0 "[ . 1 . 2]"
3 25 LYS 3.857 0.157 6 0 "[ . 1 . 2]"
3 26 ALA 2.514 0.216 16 0 "[ . 1 . 2]"
3 27 GLU 1.830 0.089 12 0 "[ . 1 . 2]"
3 28 LYS 0.046 0.028 16 0 "[ . 1 . 2]"
3 29 GLU 2.792 0.216 16 0 "[ . 1 . 2]"
3 30 LEU 11.659 0.193 16 0 "[ . 1 . 2]"
3 31 GLU 8.562 0.193 16 0 "[ . 1 . 2]"
3 32 SER 2.715 0.176 8 0 "[ . 1 . 2]"
3 33 HIS 0.153 0.044 16 0 "[ . 1 . 2]"
3 34 SER 0.732 0.091 13 0 "[ . 1 . 2]"
3 35 SER 2.462 0.129 4 0 "[ . 1 . 2]"
3 36 TRP 10.201 0.523 9 1 "[ . +1 . 2]"
3 37 TYR 30.052 0.523 9 1 "[ . +1 . 2]"
3 38 ALA 1.888 0.120 1 0 "[ . 1 . 2]"
3 39 PRO 2.304 0.125 11 0 "[ . 1 . 2]"
3 40 GLU 0.334 0.045 2 0 "[ . 1 . 2]"
3 41 ALA 0.458 0.142 5 0 "[ . 1 . 2]"
3 42 LEU 5.191 0.124 20 0 "[ . 1 . 2]"
3 43 GLN 1.292 0.114 9 0 "[ . 1 . 2]"
3 44 LYS 0.059 0.046 8 0 "[ . 1 . 2]"
3 45 TRP 5.779 0.139 11 0 "[ . 1 . 2]"
3 46 LEU 6.322 0.128 3 0 "[ . 1 . 2]"
3 47 GLN 0.555 0.116 1 0 "[ . 1 . 2]"
3 48 LEU 2.523 0.118 4 0 "[ . 1 . 2]"
3 49 THR 4.131 0.139 11 0 "[ . 1 . 2]"
3 50 HIS 1.518 0.154 17 0 "[ . 1 . 2]"
3 51 GLU 0.303 0.068 11 0 "[ . 1 . 2]"
3 52 VAL 5.636 0.154 17 0 "[ . 1 . 2]"
3 53 GLU 0.644 0.080 7 0 "[ . 1 . 2]"
3 54 VAL 0.017 0.008 3 0 "[ . 1 . 2]"
3 55 GLN 1.264 0.102 5 0 "[ . 1 . 2]"
3 56 TYR 6.434 0.240 17 0 "[ . 1 . 2]"
3 57 TYR 7.709 0.240 17 0 "[ . 1 . 2]"
3 58 ASN 6.513 0.168 6 0 "[ . 1 . 2]"
3 59 ILE 8.173 0.138 18 0 "[ . 1 . 2]"
3 60 LYS 5.407 0.142 7 0 "[ . 1 . 2]"
3 61 LYS 2.522 0.142 7 0 "[ . 1 . 2]"
3 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 63 ASN 0.984 0.142 19 0 "[ . 1 . 2]"
3 64 ALA 3.976 0.153 9 0 "[ . 1 . 2]"
3 65 GLU 1.987 0.118 7 0 "[ . 1 . 2]"
3 66 LYS 0.258 0.067 7 0 "[ . 1 . 2]"
3 67 GLN 3.769 0.175 2 0 "[ . 1 . 2]"
3 68 LEU 1.129 0.109 20 0 "[ . 1 . 2]"
3 69 LEU 0.022 0.014 9 0 "[ . 1 . 2]"
3 70 VAL 2.132 0.175 2 0 "[ . 1 . 2]"
3 71 ALA 0.340 0.097 1 0 "[ . 1 . 2]"
3 72 LYS 0.824 0.147 20 0 "[ . 1 . 2]"
3 73 GLU 0.295 0.054 7 0 "[ . 1 . 2]"
3 74 GLY 0.968 0.120 8 0 "[ . 1 . 2]"
3 75 ALA 3.448 0.164 9 0 "[ . 1 . 2]"
3 76 GLU 3.116 0.147 3 0 "[ . 1 . 2]"
3 77 LYS 3.819 0.164 9 0 "[ . 1 . 2]"
3 78 ILE 5.801 0.147 3 0 "[ . 1 . 2]"
3 79 LYS 2.677 0.280 1 0 "[ . 1 . 2]"
3 80 LYS 1.489 0.348 10 0 "[ . 1 . 2]"
3 81 LYS 1.956 0.348 10 0 "[ . 1 . 2]"
3 82 ARG 0.554 0.093 18 0 "[ . 1 . 2]"
4 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 2 SER 1.935 0.127 20 0 "[ . 1 . 2]"
4 3 GLU 1.617 0.088 15 0 "[ . 1 . 2]"
4 4 LEU 2.649 0.172 9 0 "[ . 1 . 2]"
4 5 ASN 6.682 0.178 10 0 "[ . 1 . 2]"
4 6 GLU 7.313 0.178 10 0 "[ . 1 . 2]"
4 7 LEU 5.799 0.162 19 0 "[ . 1 . 2]"
4 8 ALA 6.038 0.154 18 0 "[ . 1 . 2]"
4 9 GLU 4.913 0.090 3 0 "[ . 1 . 2]"
4 10 PHE 4.404 0.167 6 0 "[ . 1 . 2]"
4 11 ALA 5.291 0.123 17 0 "[ . 1 . 2]"
4 12 ARG 8.442 0.167 6 0 "[ . 1 . 2]"
4 13 LEU 1.539 0.067 18 0 "[ . 1 . 2]"
4 14 GLN 5.778 0.123 17 0 "[ . 1 . 2]"
4 15 ASP 2.336 0.089 16 0 "[ . 1 . 2]"
4 16 GLN 6.088 0.145 12 0 "[ . 1 . 2]"
4 17 LEU 7.448 0.145 12 0 "[ . 1 . 2]"
4 18 ASP 5.762 0.147 7 0 "[ . 1 . 2]"
4 19 HIS 5.414 0.164 11 0 "[ . 1 . 2]"
4 20 ARG 7.750 0.164 11 0 "[ . 1 . 2]"
4 21 GLY 1.229 0.096 17 0 "[ . 1 . 2]"
4 22 ASP 1.016 0.089 15 0 "[ . 1 . 2]"
4 23 HIS 2.127 0.125 11 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 2 SER HA 2 6 GLU HG2 4.710 . 4.710 4.133 4.026 4.242 . 0 0 "[ . 1 . 2]" 1
2 4 2 SER HA 4 6 GLU HG2 4.710 . 4.710 4.124 3.987 4.224 . 0 0 "[ . 1 . 2]" 1
3 2 2 SER HA 2 3 GLU HB3 5.500 . 5.500 5.106 4.901 5.459 . 0 0 "[ . 1 . 2]" 1
4 4 2 SER HA 4 3 GLU HB3 5.500 . 5.500 5.144 4.960 5.444 . 0 0 "[ . 1 . 2]" 1
5 2 2 SER HA 2 6 GLU HB3 5.500 . 5.500 5.581 5.553 5.611 0.111 18 0 "[ . 1 . 2]" 1
6 4 2 SER HA 4 6 GLU HB3 5.500 . 5.500 5.581 5.552 5.627 0.127 20 0 "[ . 1 . 2]" 1
7 2 2 SER HB2 2 6 GLU HG2 5.500 . 5.500 5.328 5.034 5.521 0.021 5 0 "[ . 1 . 2]" 1
8 4 2 SER HB2 4 6 GLU HG2 5.500 . 5.500 5.357 5.121 5.521 0.021 19 0 "[ . 1 . 2]" 1
9 2 2 SER HB2 2 4 LEU HG 4.570 . 4.570 2.695 2.452 3.005 . 0 0 "[ . 1 . 2]" 1
10 4 2 SER HB2 4 4 LEU HG 4.570 . 4.570 2.749 2.569 3.037 . 0 0 "[ . 1 . 2]" 1
11 2 3 GLU HA 2 6 GLU HG2 3.520 . 3.520 2.477 2.198 2.687 . 0 0 "[ . 1 . 2]" 1
12 4 3 GLU HA 4 6 GLU HG2 3.520 . 3.520 2.477 2.281 2.674 . 0 0 "[ . 1 . 2]" 1
13 2 3 GLU HA 2 6 GLU HG3 3.500 . 3.500 2.458 2.127 2.641 . 0 0 "[ . 1 . 2]" 1
14 4 3 GLU HA 4 6 GLU HG3 3.500 . 3.500 2.442 2.167 2.659 . 0 0 "[ . 1 . 2]" 1
15 2 2 SER HB3 2 3 GLU HA 4.830 . 4.830 4.781 4.561 4.902 0.072 15 0 "[ . 1 . 2]" 1
16 4 2 SER HB3 4 3 GLU HA 4.830 . 4.830 4.765 4.629 4.875 0.045 15 0 "[ . 1 . 2]" 1
17 2 6 GLU HB2 2 7 LEU HG 5.040 . 5.040 4.396 4.160 4.695 . 0 0 "[ . 1 . 2]" 1
18 4 6 GLU HB2 4 7 LEU HG 5.040 . 5.040 4.404 4.116 4.711 . 0 0 "[ . 1 . 2]" 1
19 2 9 GLU HB2 2 12 ARG HG2 5.500 . 5.500 4.513 4.442 4.577 . 0 0 "[ . 1 . 2]" 1
20 4 9 GLU HB2 4 12 ARG HG2 5.500 . 5.500 4.508 4.412 4.588 . 0 0 "[ . 1 . 2]" 1
21 2 9 GLU HB3 2 12 ARG HG2 5.500 . 5.500 4.556 4.531 4.593 . 0 0 "[ . 1 . 2]" 1
22 4 9 GLU HB3 4 12 ARG HG2 5.500 . 5.500 4.551 4.493 4.622 . 0 0 "[ . 1 . 2]" 1
23 2 6 GLU HG3 2 7 LEU HG 4.320 . 4.320 2.747 2.613 2.932 . 0 0 "[ . 1 . 2]" 1
24 4 6 GLU HG3 4 7 LEU HG 4.320 . 4.320 2.762 2.592 2.910 . 0 0 "[ . 1 . 2]" 1
25 2 4 LEU HB2 2 4 LEU MD1 3.070 . 3.070 2.148 2.116 2.234 . 0 0 "[ . 1 . 2]" 1
26 4 4 LEU HB2 4 4 LEU MD1 3.070 . 3.070 2.151 2.133 2.221 . 0 0 "[ . 1 . 2]" 1
27 2 5 ASN HB2 2 6 GLU HA 5.500 . 5.500 5.265 5.189 5.391 . 0 0 "[ . 1 . 2]" 1
28 4 5 ASN HB2 4 6 GLU HA 5.500 . 5.500 5.272 5.221 5.362 . 0 0 "[ . 1 . 2]" 1
29 2 5 ASN HB2 2 6 GLU HG3 5.500 . 5.500 5.644 5.605 5.674 0.174 15 0 "[ . 1 . 2]" 1
30 4 5 ASN HB2 4 6 GLU HG3 5.500 . 5.500 5.645 5.625 5.678 0.178 10 0 "[ . 1 . 2]" 1
31 2 5 ASN HB3 2 6 GLU HG3 5.500 . 5.500 4.371 4.245 4.594 . 0 0 "[ . 1 . 2]" 1
32 4 5 ASN HB3 4 6 GLU HG3 5.500 . 5.500 4.344 4.239 4.528 . 0 0 "[ . 1 . 2]" 1
33 2 5 ASN HB3 2 6 GLU HA 5.500 . 5.500 3.798 3.649 3.924 . 0 0 "[ . 1 . 2]" 1
34 4 5 ASN HB3 4 6 GLU HA 5.500 . 5.500 3.818 3.690 3.927 . 0 0 "[ . 1 . 2]" 1
35 2 7 LEU HA 2 10 PHE QB 3.160 . 3.160 2.172 2.053 2.316 . 0 0 "[ . 1 . 2]" 1
36 4 7 LEU HA 4 10 PHE QB 3.160 . 3.160 2.174 2.074 2.337 . 0 0 "[ . 1 . 2]" 1
37 2 7 LEU HA 2 11 ALA MB 3.920 . 3.920 3.949 3.922 3.992 0.072 20 0 "[ . 1 . 2]" 1
38 4 7 LEU HA 4 11 ALA MB 3.920 . 3.920 3.952 3.913 3.988 0.068 17 0 "[ . 1 . 2]" 1
39 2 11 ALA MB 2 12 ARG H 3.480 . 3.480 2.692 2.571 2.752 . 0 0 "[ . 1 . 2]" 1
40 4 11 ALA MB 4 12 ARG H 3.480 . 3.480 2.678 2.550 2.754 . 0 0 "[ . 1 . 2]" 1
41 2 11 ALA MB 2 12 ARG HA 3.950 . 3.950 3.839 3.779 3.890 . 0 0 "[ . 1 . 2]" 1
42 4 11 ALA MB 4 12 ARG HA 3.950 . 3.950 3.829 3.763 3.901 . 0 0 "[ . 1 . 2]" 1
43 2 10 PHE QB 2 11 ALA MB 3.910 . 3.910 3.743 3.640 3.844 . 0 0 "[ . 1 . 2]" 1
44 4 10 PHE QB 4 11 ALA MB 3.910 . 3.910 3.748 3.657 3.850 . 0 0 "[ . 1 . 2]" 1
45 2 11 ALA MB 2 15 ASP HB2 4.090 . 4.090 4.015 3.813 4.134 0.044 10 0 "[ . 1 . 2]" 1
46 4 11 ALA MB 4 15 ASP HB2 4.090 . 4.090 4.020 3.822 4.150 0.060 10 0 "[ . 1 . 2]" 1
47 1 68 LEU HG 4 11 ALA MB 3.030 . 3.030 2.609 2.331 2.945 . 0 0 "[ . 1 . 2]" 1
48 2 11 ALA MB 3 68 LEU HG 3.030 . 3.030 2.620 2.307 2.928 . 0 0 "[ . 1 . 2]" 1
49 2 7 LEU HB2 2 8 ALA HA 5.100 . 5.100 4.713 4.534 4.813 . 0 0 "[ . 1 . 2]" 1
50 4 7 LEU HB2 4 8 ALA HA 5.100 . 5.100 4.714 4.545 4.797 . 0 0 "[ . 1 . 2]" 1
51 2 8 ALA HA 2 12 ARG HG2 5.490 . 5.490 4.594 4.207 4.741 . 0 0 "[ . 1 . 2]" 1
52 4 8 ALA HA 4 12 ARG HG2 5.490 . 5.490 4.598 4.230 4.735 . 0 0 "[ . 1 . 2]" 1
53 2 9 GLU HG2 2 12 ARG HG2 3.890 . 3.890 3.922 3.894 3.949 0.059 18 0 "[ . 1 . 2]" 1
54 4 9 GLU HG2 4 12 ARG HG2 3.890 . 3.890 3.920 3.870 3.946 0.056 5 0 "[ . 1 . 2]" 1
55 2 8 ALA MB 2 9 GLU HG3 4.820 . 4.820 4.869 4.844 4.897 0.077 1 0 "[ . 1 . 2]" 1
56 4 8 ALA MB 4 9 GLU HG3 4.820 . 4.820 4.864 4.821 4.897 0.077 12 0 "[ . 1 . 2]" 1
57 2 9 GLU HA 2 9 GLU HG2 3.100 . 3.100 2.762 2.656 2.882 . 0 0 "[ . 1 . 2]" 1
58 4 9 GLU HA 4 9 GLU HG2 3.100 . 3.100 2.772 2.654 2.865 . 0 0 "[ . 1 . 2]" 1
59 2 9 GLU HA 2 10 PHE HA 4.730 . 4.730 4.690 4.632 4.733 0.003 16 0 "[ . 1 . 2]" 1
60 4 9 GLU HA 4 10 PHE HA 4.730 . 4.730 4.691 4.634 4.735 0.005 10 0 "[ . 1 . 2]" 1
61 2 10 PHE HA 2 13 LEU HB2 3.440 . 3.440 2.883 2.740 3.046 . 0 0 "[ . 1 . 2]" 1
62 4 10 PHE HA 4 13 LEU HB2 3.440 . 3.440 2.897 2.782 3.038 . 0 0 "[ . 1 . 2]" 1
63 1 68 LEU HA 4 11 ALA HA 4.720 . 4.720 3.840 3.582 4.126 . 0 0 "[ . 1 . 2]" 1
64 2 11 ALA HA 3 68 LEU HA 4.720 . 4.720 3.860 3.603 4.224 . 0 0 "[ . 1 . 2]" 1
65 2 11 ALA HA 2 14 GLN HG3 4.760 . 4.760 3.947 3.661 4.204 . 0 0 "[ . 1 . 2]" 1
66 4 11 ALA HA 4 14 GLN HG3 4.760 . 4.760 3.944 3.590 4.184 . 0 0 "[ . 1 . 2]" 1
67 2 11 ALA HA 2 14 GLN HB2 3.670 . 3.670 2.331 2.212 2.428 . 0 0 "[ . 1 . 2]" 1
68 4 11 ALA HA 4 14 GLN HB2 3.670 . 3.670 2.336 2.195 2.412 . 0 0 "[ . 1 . 2]" 1
69 1 68 LEU HG 4 11 ALA HA 4.680 . 4.680 3.203 2.842 3.436 . 0 0 "[ . 1 . 2]" 1
70 2 11 ALA HA 3 68 LEU HG 4.680 . 4.680 3.245 3.003 3.467 . 0 0 "[ . 1 . 2]" 1
71 2 11 ALA HA 2 12 ARG HA 5.500 . 5.500 4.679 4.628 4.730 . 0 0 "[ . 1 . 2]" 1
72 4 11 ALA HA 4 12 ARG HA 5.500 . 5.500 4.680 4.629 4.730 . 0 0 "[ . 1 . 2]" 1
73 2 6 GLU HB2 2 10 PHE QB 5.160 . 5.160 4.651 4.297 4.926 . 0 0 "[ . 1 . 2]" 1
74 4 6 GLU HB2 4 10 PHE QB 5.160 . 5.160 4.652 4.322 4.958 . 0 0 "[ . 1 . 2]" 1
75 2 9 GLU HB3 2 10 PHE QB 5.500 . 5.500 4.231 3.714 4.459 . 0 0 "[ . 1 . 2]" 1
76 4 9 GLU HB3 4 10 PHE QB 5.500 . 5.500 4.255 3.749 4.515 . 0 0 "[ . 1 . 2]" 1
77 1 46 LEU MD2 2 12 ARG HA 3.260 . 3.260 3.315 3.288 3.346 0.086 6 0 "[ . 1 . 2]" 1
78 3 46 LEU MD2 4 12 ARG HA 3.260 . 3.260 3.315 3.278 3.333 0.073 12 0 "[ . 1 . 2]" 1
79 2 16 GLN HB2 2 20 ARG HG2 4.110 . 4.110 2.853 2.675 3.245 . 0 0 "[ . 1 . 2]" 1
80 4 16 GLN HB2 4 20 ARG HG2 4.110 . 4.110 2.841 2.679 3.204 . 0 0 "[ . 1 . 2]" 1
81 2 9 GLU HA 2 12 ARG HG2 3.460 . 3.460 2.007 1.933 2.087 . 0 0 "[ . 1 . 2]" 1
82 4 9 GLU HA 4 12 ARG HG2 3.460 . 3.460 1.997 1.880 2.091 . 0 0 "[ . 1 . 2]" 1
83 2 20 ARG HA 2 20 ARG HG2 3.830 . 3.830 2.329 2.186 2.604 . 0 0 "[ . 1 . 2]" 1
84 4 20 ARG HA 4 20 ARG HG2 3.830 . 3.830 2.334 2.186 2.603 . 0 0 "[ . 1 . 2]" 1
85 2 3 GLU HA 2 7 LEU HG 3.720 . 3.720 3.708 3.436 3.797 0.077 10 0 "[ . 1 . 2]" 1
86 4 3 GLU HA 4 7 LEU HG 3.720 . 3.720 3.701 3.437 3.808 0.088 15 0 "[ . 1 . 2]" 1
87 2 12 ARG H 2 12 ARG HG2 3.630 . 3.630 2.297 2.199 2.369 . 0 0 "[ . 1 . 2]" 1
88 4 12 ARG H 4 12 ARG HG2 3.630 . 3.630 2.294 2.193 2.362 . 0 0 "[ . 1 . 2]" 1
89 2 16 GLN HA 2 20 ARG HG3 4.280 . 4.280 3.778 3.490 4.231 . 0 0 "[ . 1 . 2]" 1
90 4 16 GLN HA 4 20 ARG HG3 4.280 . 4.280 3.746 3.309 4.133 . 0 0 "[ . 1 . 2]" 1
91 2 20 ARG HA 2 20 ARG HG3 3.440 . 3.440 2.671 2.362 2.824 . 0 0 "[ . 1 . 2]" 1
92 4 20 ARG HA 4 20 ARG HG3 3.440 . 3.440 2.658 2.399 2.824 . 0 0 "[ . 1 . 2]" 1
93 2 14 GLN HA 2 17 LEU HB2 3.580 . 3.580 2.191 2.053 2.350 . 0 0 "[ . 1 . 2]" 1
94 4 14 GLN HA 4 17 LEU HB2 3.580 . 3.580 2.193 2.001 2.338 . 0 0 "[ . 1 . 2]" 1
95 2 14 GLN HA 2 17 LEU HB3 4.160 . 4.160 3.163 2.959 3.399 . 0 0 "[ . 1 . 2]" 1
96 4 14 GLN HA 4 17 LEU HB3 4.160 . 4.160 3.173 3.002 3.325 . 0 0 "[ . 1 . 2]" 1
97 2 14 GLN HA 2 17 LEU H 3.720 . 3.720 3.240 3.126 3.340 . 0 0 "[ . 1 . 2]" 1
98 4 14 GLN HA 4 17 LEU H 3.720 . 3.720 3.247 3.163 3.361 . 0 0 "[ . 1 . 2]" 1
99 1 68 LEU HG 4 14 GLN HB2 4.540 . 4.540 4.515 4.345 4.589 0.049 8 0 "[ . 1 . 2]" 1
100 2 14 GLN HB2 3 68 LEU HG 4.540 . 4.540 4.536 4.374 4.580 0.040 3 0 "[ . 1 . 2]" 1
101 2 13 LEU HB2 2 14 GLN HB2 4.750 . 4.750 4.579 4.346 4.804 0.054 4 0 "[ . 1 . 2]" 1
102 4 13 LEU HB2 4 14 GLN HB2 4.750 . 4.750 4.581 4.345 4.803 0.053 4 0 "[ . 1 . 2]" 1
103 2 13 LEU HB2 2 14 GLN HG2 5.240 . 5.240 3.747 3.388 4.137 . 0 0 "[ . 1 . 2]" 1
104 4 13 LEU HB2 4 14 GLN HG2 5.240 . 5.240 3.767 3.339 4.206 . 0 0 "[ . 1 . 2]" 1
105 2 14 GLN HB2 2 14 GLN HG2 2.640 . 2.640 2.418 2.361 2.448 . 0 0 "[ . 1 . 2]" 1
106 4 14 GLN HB2 4 14 GLN HG2 2.640 . 2.640 2.420 2.372 2.482 . 0 0 "[ . 1 . 2]" 1
107 2 14 GLN HA 2 14 GLN HG2 3.510 . 3.510 2.690 2.586 2.827 . 0 0 "[ . 1 . 2]" 1
108 4 14 GLN HA 4 14 GLN HG2 3.510 . 3.510 2.678 2.559 2.787 . 0 0 "[ . 1 . 2]" 1
109 1 31 GLU QB 2 15 ASP HA 5.410 . 5.410 5.073 4.783 5.414 0.004 18 0 "[ . 1 . 2]" 1
110 3 31 GLU QB 4 15 ASP HA 5.410 . 5.410 5.076 4.706 5.404 . 0 0 "[ . 1 . 2]" 1
111 2 16 GLN HB2 2 20 ARG HG3 4.020 . 4.020 2.204 1.905 2.704 . 0 0 "[ . 1 . 2]" 1
112 4 16 GLN HB2 4 20 ARG HG3 4.020 . 4.020 2.159 1.932 2.600 . 0 0 "[ . 1 . 2]" 1
113 2 16 GLN HB2 2 16 GLN HG3 2.750 . 2.750 2.576 2.412 2.815 0.065 8 0 "[ . 1 . 2]" 1
114 4 16 GLN HB2 4 16 GLN HG3 2.750 . 2.750 2.590 2.444 2.798 0.048 8 0 "[ . 1 . 2]" 1
115 2 13 LEU HA 2 16 GLN HG2 3.420 . 3.420 2.317 2.024 2.579 . 0 0 "[ . 1 . 2]" 1
116 4 13 LEU HA 4 16 GLN HG2 3.420 . 3.420 2.323 2.028 2.563 . 0 0 "[ . 1 . 2]" 1
117 2 16 GLN H 2 16 GLN HG2 3.610 . 3.610 2.444 2.231 3.080 . 0 0 "[ . 1 . 2]" 1
118 4 16 GLN H 4 16 GLN HG2 3.610 . 3.610 2.447 2.264 3.021 . 0 0 "[ . 1 . 2]" 1
119 2 16 GLN HG3 2 17 LEU HA 3.570 . 3.570 3.421 3.207 3.673 0.103 6 0 "[ . 1 . 2]" 1
120 4 16 GLN HG3 4 17 LEU HA 3.570 . 3.570 3.445 3.223 3.670 0.100 6 0 "[ . 1 . 2]" 1
121 2 16 GLN H 2 16 GLN HG3 3.730 . 3.730 3.152 2.287 3.658 . 0 0 "[ . 1 . 2]" 1
122 4 16 GLN H 4 16 GLN HG3 3.730 . 3.730 3.111 2.314 3.598 . 0 0 "[ . 1 . 2]" 1
123 2 17 LEU HA 2 18 ASP HA 4.660 . 4.660 4.502 4.273 4.600 . 0 0 "[ . 1 . 2]" 1
124 4 17 LEU HA 4 18 ASP HA 4.660 . 4.660 4.491 4.329 4.586 . 0 0 "[ . 1 . 2]" 1
125 2 17 LEU HA 2 20 ARG HB2 4.010 . 4.010 3.963 3.811 4.092 0.082 18 0 "[ . 1 . 2]" 1
126 4 17 LEU HA 4 20 ARG HB2 4.010 . 4.010 3.965 3.788 4.082 0.072 19 0 "[ . 1 . 2]" 1
127 1 81 LYS QG 4 17 LEU HA 3.550 . 3.550 2.758 1.875 3.583 0.033 18 0 "[ . 1 . 2]" 1
128 2 17 LEU HA 3 81 LYS QG 3.550 . 3.550 2.766 1.861 3.585 0.035 7 0 "[ . 1 . 2]" 1
129 2 17 LEU HA 2 17 LEU MD1 3.840 . 3.840 2.141 1.949 2.390 . 0 0 "[ . 1 . 2]" 1
130 4 17 LEU HA 4 17 LEU MD1 3.840 . 3.840 2.135 1.944 2.338 . 0 0 "[ . 1 . 2]" 1
131 2 7 LEU H 2 7 LEU HB3 3.670 . 3.670 3.640 3.617 3.673 0.003 13 0 "[ . 1 . 2]" 1
132 4 7 LEU H 4 7 LEU HB3 3.670 . 3.670 3.644 3.623 3.667 . 0 0 "[ . 1 . 2]" 1
133 2 17 LEU HA 2 17 LEU HG 3.430 . 3.430 2.529 2.429 2.673 . 0 0 "[ . 1 . 2]" 1
134 4 17 LEU HA 4 17 LEU HG 3.430 . 3.430 2.523 2.416 2.681 . 0 0 "[ . 1 . 2]" 1
135 2 17 LEU HA 2 17 LEU MD2 3.840 . 3.840 3.782 3.740 3.809 . 0 0 "[ . 1 . 2]" 1
136 4 17 LEU HA 4 17 LEU MD2 3.840 . 3.840 3.778 3.749 3.807 . 0 0 "[ . 1 . 2]" 1
137 2 17 LEU H 2 17 LEU MD2 4.190 . 4.190 4.147 3.994 4.231 0.041 17 0 "[ . 1 . 2]" 1
138 4 17 LEU H 4 17 LEU MD2 4.190 . 4.190 4.149 4.033 4.223 0.033 17 0 "[ . 1 . 2]" 1
139 1 75 ALA HA 4 18 ASP HA 3.850 . 3.850 3.641 3.141 3.892 0.042 12 0 "[ . 1 . 2]" 1
140 2 18 ASP HA 3 75 ALA HA 3.850 . 3.850 3.634 3.147 3.906 0.056 4 0 "[ . 1 . 2]" 1
141 2 22 ASP H 2 22 ASP HB3 3.860 . 3.860 2.671 2.487 3.718 . 0 0 "[ . 1 . 2]" 1
142 4 22 ASP H 4 22 ASP HB3 3.860 . 3.860 2.656 2.524 3.725 . 0 0 "[ . 1 . 2]" 1
143 2 20 ARG HB2 2 20 ARG HG3 2.800 . 2.800 2.294 2.243 2.364 . 0 0 "[ . 1 . 2]" 1
144 4 20 ARG HB2 4 20 ARG HG3 2.800 . 2.800 2.293 2.238 2.371 . 0 0 "[ . 1 . 2]" 1
145 2 20 ARG HB3 2 20 ARG QD 3.830 . 3.830 2.293 2.116 3.002 . 0 0 "[ . 1 . 2]" 1
146 4 20 ARG HB3 4 20 ARG QD 3.830 . 3.830 2.310 2.110 3.004 . 0 0 "[ . 1 . 2]" 1
147 2 9 GLU HA 2 12 ARG HD3 3.560 . 3.560 2.118 1.880 2.366 . 0 0 "[ . 1 . 2]" 1
148 4 9 GLU HA 4 12 ARG HD3 3.560 . 3.560 2.108 1.872 2.388 . 0 0 "[ . 1 . 2]" 1
149 2 12 ARG HB2 2 12 ARG HD2 3.260 . 3.260 2.567 2.358 2.911 . 0 0 "[ . 1 . 2]" 1
150 4 12 ARG HB2 4 12 ARG HD2 3.260 . 3.260 2.558 2.354 2.887 . 0 0 "[ . 1 . 2]" 1
151 2 12 ARG HD3 2 12 ARG HG2 2.970 . 2.970 2.290 2.234 2.352 . 0 0 "[ . 1 . 2]" 1
152 4 12 ARG HD3 4 12 ARG HG2 2.970 . 2.970 2.288 2.226 2.350 . 0 0 "[ . 1 . 2]" 1
153 2 17 LEU HB3 2 17 LEU MD2 3.050 . 3.050 2.238 2.131 2.333 . 0 0 "[ . 1 . 2]" 1
154 4 17 LEU HB3 4 17 LEU MD2 3.050 . 3.050 2.237 2.166 2.331 . 0 0 "[ . 1 . 2]" 1
155 2 7 LEU H 2 7 LEU MD2 4.200 . 4.200 3.370 3.143 3.563 . 0 0 "[ . 1 . 2]" 1
156 4 7 LEU H 4 7 LEU MD2 4.200 . 4.200 3.389 3.117 3.610 . 0 0 "[ . 1 . 2]" 1
157 2 17 LEU HB3 2 17 LEU MD1 3.050 . 3.050 3.131 3.081 3.163 0.113 10 0 "[ . 1 . 2]" 1
158 4 17 LEU HB3 4 17 LEU MD1 3.050 . 3.050 3.130 3.092 3.169 0.119 16 0 "[ . 1 . 2]" 1
159 2 6 GLU HA 2 6 GLU HG3 3.630 . 3.630 3.655 3.632 3.679 0.049 15 0 "[ . 1 . 2]" 1
160 4 6 GLU HA 4 6 GLU HG3 3.630 . 3.630 3.652 3.632 3.666 0.036 6 0 "[ . 1 . 2]" 1
161 2 4 LEU HB3 2 4 LEU MD2 2.770 . 2.770 2.156 2.100 2.224 . 0 0 "[ . 1 . 2]" 1
162 4 4 LEU HB3 4 4 LEU MD2 2.770 . 2.770 2.153 2.102 2.196 . 0 0 "[ . 1 . 2]" 1
163 2 14 GLN HG2 2 17 LEU HB3 5.500 . 5.500 5.557 5.534 5.593 0.093 14 0 "[ . 1 . 2]" 1
164 4 14 GLN HG2 4 17 LEU HB3 5.500 . 5.500 5.552 5.513 5.598 0.098 14 0 "[ . 1 . 2]" 1
165 2 7 LEU HB3 2 10 PHE QB 4.640 . 4.640 4.080 3.912 4.357 . 0 0 "[ . 1 . 2]" 1
166 4 7 LEU HB3 4 10 PHE QB 4.640 . 4.640 4.081 3.962 4.384 . 0 0 "[ . 1 . 2]" 1
167 2 17 LEU HB2 2 18 ASP HA 5.470 . 5.470 5.381 5.180 5.492 0.022 6 0 "[ . 1 . 2]" 1
168 4 17 LEU HB2 4 18 ASP HA 5.470 . 5.470 5.370 5.223 5.486 0.016 2 0 "[ . 1 . 2]" 1
169 2 15 ASP HB3 2 16 GLN HG2 5.020 . 5.020 4.668 4.315 5.074 0.054 6 0 "[ . 1 . 2]" 1
170 4 15 ASP HB3 4 16 GLN HG2 5.020 . 5.020 4.640 4.312 5.049 0.029 6 0 "[ . 1 . 2]" 1
171 2 13 LEU HB2 2 16 GLN HG2 5.500 . 5.500 5.166 4.902 5.533 0.033 8 0 "[ . 1 . 2]" 1
172 4 13 LEU HB2 4 16 GLN HG2 5.500 . 5.500 5.185 4.908 5.519 0.019 9 0 "[ . 1 . 2]" 1
173 2 13 LEU HG 2 16 GLN HG2 5.500 . 5.500 4.960 4.286 5.558 0.058 4 0 "[ . 1 . 2]" 1
174 4 13 LEU HG 4 16 GLN HG2 5.500 . 5.500 4.962 4.351 5.566 0.066 4 0 "[ . 1 . 2]" 1
175 2 16 GLN HG2 2 20 ARG HG2 5.500 . 5.500 5.523 5.162 5.635 0.135 17 0 "[ . 1 . 2]" 1
176 4 16 GLN HG2 4 20 ARG HG2 5.500 . 5.500 5.524 5.084 5.635 0.135 18 0 "[ . 1 . 2]" 1
177 2 16 GLN HG3 2 20 ARG HG3 4.810 . 4.810 3.290 2.670 4.166 . 0 0 "[ . 1 . 2]" 1
178 4 16 GLN HG3 4 20 ARG HG3 4.810 . 4.810 3.336 2.748 4.122 . 0 0 "[ . 1 . 2]" 1
179 2 17 LEU HA 2 20 ARG QD 4.660 . 4.660 4.307 3.117 4.707 0.047 3 0 "[ . 1 . 2]" 1
180 4 17 LEU HA 4 20 ARG QD 4.660 . 4.660 4.279 3.122 4.699 0.039 16 0 "[ . 1 . 2]" 1
181 1 39 PRO HD3 2 23 HIS HB3 5.190 . 5.190 4.943 3.113 5.319 0.129 11 0 "[ . 1 . 2]" 1
182 3 39 PRO HD3 4 23 HIS HB3 5.190 . 5.190 4.930 3.003 5.315 0.125 11 0 "[ . 1 . 2]" 1
183 2 22 ASP HB2 2 23 HIS H 4.820 . 4.820 4.482 4.388 4.566 . 0 0 "[ . 1 . 2]" 1
184 4 22 ASP HB2 4 23 HIS H 4.820 . 4.820 4.475 4.340 4.562 . 0 0 "[ . 1 . 2]" 1
185 2 20 ARG HB3 2 21 GLY HA2 5.260 . 5.260 4.803 4.357 5.173 . 0 0 "[ . 1 . 2]" 1
186 4 20 ARG HB3 4 21 GLY HA2 5.260 . 5.260 4.812 4.368 5.194 . 0 0 "[ . 1 . 2]" 1
187 1 38 ALA HA 2 21 GLY HA2 5.500 . 5.500 5.472 5.210 5.569 0.069 19 0 "[ . 1 . 2]" 1
188 3 38 ALA HA 4 21 GLY HA2 5.500 . 5.500 5.478 5.246 5.585 0.085 5 0 "[ . 1 . 2]" 1
189 1 36 TRP HA 2 21 GLY HA2 5.110 . 5.110 4.405 3.712 4.915 . 0 0 "[ . 1 . 2]" 1
190 3 36 TRP HA 4 21 GLY HA2 5.110 . 5.110 4.427 3.812 4.986 . 0 0 "[ . 1 . 2]" 1
191 2 19 HIS HA 2 21 GLY HA2 5.500 . 5.500 4.797 4.504 5.127 . 0 0 "[ . 1 . 2]" 1
192 4 19 HIS HA 4 21 GLY HA2 5.500 . 5.500 4.789 4.475 5.097 . 0 0 "[ . 1 . 2]" 1
193 2 22 ASP HA 2 23 HIS HB3 4.990 . 4.990 4.817 4.601 4.994 0.004 14 0 "[ . 1 . 2]" 1
194 4 22 ASP HA 4 23 HIS HB3 4.990 . 4.990 4.813 4.615 4.975 . 0 0 "[ . 1 . 2]" 1
195 2 20 ARG HA 2 21 GLY HA3 4.760 . 4.760 4.496 4.399 4.630 . 0 0 "[ . 1 . 2]" 1
196 4 20 ARG HA 4 21 GLY HA3 4.760 . 4.760 4.491 4.344 4.595 . 0 0 "[ . 1 . 2]" 1
197 1 39 PRO HA 2 21 GLY HA3 4.850 . 4.850 4.848 4.502 4.930 0.080 3 0 "[ . 1 . 2]" 1
198 3 39 PRO HA 4 21 GLY HA3 4.850 . 4.850 4.851 4.504 4.920 0.070 3 0 "[ . 1 . 2]" 1
199 1 38 ALA HA 2 21 GLY HA3 4.610 . 4.610 3.928 3.638 4.074 . 0 0 "[ . 1 . 2]" 1
200 3 38 ALA HA 4 21 GLY HA3 4.610 . 4.610 3.937 3.683 4.101 . 0 0 "[ . 1 . 2]" 1
201 2 21 GLY HA3 2 22 ASP HA 5.280 . 5.280 4.317 4.265 4.441 . 0 0 "[ . 1 . 2]" 1
202 4 21 GLY HA3 4 22 ASP HA 5.280 . 5.280 4.317 4.256 4.465 . 0 0 "[ . 1 . 2]" 1
203 1 36 TRP HA 2 21 GLY HA3 5.300 . 5.300 5.042 4.512 5.347 0.047 17 0 "[ . 1 . 2]" 1
204 3 36 TRP HA 4 21 GLY HA3 5.300 . 5.300 5.049 4.571 5.327 0.027 4 0 "[ . 1 . 2]" 1
205 2 16 GLN HE22 2 20 ARG QD 4.380 . 4.380 4.184 2.738 4.476 0.096 16 0 "[ . 1 . 2]" 1
206 4 16 GLN HE22 4 20 ARG QD 4.380 . 4.380 4.097 2.858 4.474 0.094 16 0 "[ . 1 . 2]" 1
207 2 12 ARG HB2 2 12 ARG HD3 3.780 . 3.780 3.450 3.258 3.768 . 0 0 "[ . 1 . 2]" 1
208 4 12 ARG HB2 4 12 ARG HD3 3.780 . 3.780 3.449 3.218 3.763 . 0 0 "[ . 1 . 2]" 1
209 2 8 ALA MB 2 12 ARG HD3 4.460 . 4.460 3.607 3.110 4.436 . 0 0 "[ . 1 . 2]" 1
210 4 8 ALA MB 4 12 ARG HD3 4.460 . 4.460 3.613 3.151 4.391 . 0 0 "[ . 1 . 2]" 1
211 2 8 ALA MB 2 12 ARG HD2 4.910 . 4.910 4.198 3.549 4.537 . 0 0 "[ . 1 . 2]" 1
212 4 8 ALA MB 4 12 ARG HD2 4.910 . 4.910 4.203 3.562 4.575 . 0 0 "[ . 1 . 2]" 1
213 2 10 PHE H 2 12 ARG HD3 5.250 . 5.250 5.241 5.131 5.344 0.094 4 0 "[ . 1 . 2]" 1
214 4 10 PHE H 4 12 ARG HD3 5.250 . 5.250 5.238 5.118 5.333 0.083 4 0 "[ . 1 . 2]" 1
215 2 12 ARG HD3 2 13 LEU H 4.830 . 4.830 4.526 4.163 4.642 . 0 0 "[ . 1 . 2]" 1
216 4 12 ARG HD3 4 13 LEU H 4.830 . 4.830 4.524 4.184 4.645 . 0 0 "[ . 1 . 2]" 1
217 2 19 HIS H 2 20 ARG HB2 4.780 . 4.780 4.678 4.354 4.798 0.018 18 0 "[ . 1 . 2]" 1
218 4 19 HIS H 4 20 ARG HB2 4.780 . 4.780 4.700 4.406 4.792 0.012 6 0 "[ . 1 . 2]" 1
219 2 16 GLN HA 2 20 ARG HB2 5.200 . 5.200 4.001 3.637 4.284 . 0 0 "[ . 1 . 2]" 1
220 4 16 GLN HA 4 20 ARG HB2 5.200 . 5.200 4.003 3.710 4.277 . 0 0 "[ . 1 . 2]" 1
221 2 20 ARG HB3 2 21 GLY HA3 5.500 . 5.500 4.491 4.160 4.812 . 0 0 "[ . 1 . 2]" 1
222 4 20 ARG HB3 4 21 GLY HA3 5.500 . 5.500 4.501 4.133 4.824 . 0 0 "[ . 1 . 2]" 1
223 2 16 GLN HE21 2 20 ARG HA 5.010 . 5.010 4.763 3.543 5.089 0.079 8 0 "[ . 1 . 2]" 1
224 4 16 GLN HE21 4 20 ARG HA 5.010 . 5.010 4.740 3.509 5.070 0.060 8 0 "[ . 1 . 2]" 1
225 2 20 ARG HA 2 20 ARG QD 4.080 . 4.080 3.901 3.804 4.036 . 0 0 "[ . 1 . 2]" 1
226 4 20 ARG HA 4 20 ARG QD 4.080 . 4.080 3.902 3.826 4.029 . 0 0 "[ . 1 . 2]" 1
227 2 11 ALA H 2 12 ARG HG3 5.500 . 5.500 5.538 5.239 5.580 0.080 14 0 "[ . 1 . 2]" 1
228 4 11 ALA H 4 12 ARG HG3 5.500 . 5.500 5.537 5.235 5.583 0.083 10 0 "[ . 1 . 2]" 1
229 2 20 ARG HG3 2 21 GLY H 5.500 . 5.500 5.242 4.959 5.374 . 0 0 "[ . 1 . 2]" 1
230 4 20 ARG HG3 4 21 GLY H 5.500 . 5.500 5.225 4.884 5.344 . 0 0 "[ . 1 . 2]" 1
231 2 19 HIS HB3 2 20 ARG HA 5.220 . 5.220 4.866 4.602 5.103 . 0 0 "[ . 1 . 2]" 1
232 4 19 HIS HB3 4 20 ARG HA 5.220 . 5.220 4.848 4.612 5.104 . 0 0 "[ . 1 . 2]" 1
233 2 19 HIS HB2 2 20 ARG HA 5.220 . 5.220 4.825 4.568 5.221 0.001 4 0 "[ . 1 . 2]" 1
234 4 19 HIS HB2 4 20 ARG HA 5.220 . 5.220 4.815 4.559 5.217 . 0 0 "[ . 1 . 2]" 1
235 1 74 GLY QA 4 18 ASP HA 5.500 . 5.500 5.006 4.573 5.542 0.042 8 0 "[ . 1 . 2]" 1
236 2 18 ASP HA 3 74 GLY QA 5.500 . 5.500 4.983 4.518 5.594 0.094 8 0 "[ . 1 . 2]" 1
237 1 78 ILE MD 4 18 ASP HA 4.670 . 4.670 4.013 2.543 4.715 0.045 3 0 "[ . 1 . 2]" 1
238 2 18 ASP HA 3 78 ILE MD 4.670 . 4.670 3.971 2.428 4.733 0.063 3 0 "[ . 1 . 2]" 1
239 2 18 ASP HA 2 20 ARG HB2 5.170 . 5.170 5.160 4.802 5.280 0.110 12 0 "[ . 1 . 2]" 1
240 4 18 ASP HA 4 20 ARG HB2 5.170 . 5.170 5.145 4.723 5.317 0.147 7 0 "[ . 1 . 2]" 1
241 1 81 LYS QD 4 17 LEU HA 3.170 . 3.170 3.019 2.068 3.299 0.129 7 0 "[ . 1 . 2]" 1
242 2 17 LEU HA 3 81 LYS QD 3.170 . 3.170 3.041 2.257 3.287 0.117 15 0 "[ . 1 . 2]" 1
243 1 42 LEU HB2 2 16 GLN HB3 4.960 . 4.960 4.913 4.642 5.027 0.067 8 0 "[ . 1 . 2]" 1
244 3 42 LEU HB2 4 16 GLN HB3 4.960 . 4.960 4.908 4.700 5.004 0.044 13 0 "[ . 1 . 2]" 1
245 2 14 GLN HB2 2 15 ASP HB2 5.140 . 5.140 4.779 4.497 5.065 . 0 0 "[ . 1 . 2]" 1
246 4 14 GLN HB2 4 15 ASP HB2 5.140 . 5.140 4.776 4.530 5.000 . 0 0 "[ . 1 . 2]" 1
247 2 11 ALA MB 2 15 ASP HB3 4.900 . 4.900 4.763 4.581 4.921 0.021 20 0 "[ . 1 . 2]" 1
248 4 11 ALA MB 4 15 ASP HB3 4.900 . 4.900 4.765 4.499 4.913 0.013 10 0 "[ . 1 . 2]" 1
249 2 14 GLN HB2 2 15 ASP HA 5.180 . 5.180 4.614 4.516 4.768 . 0 0 "[ . 1 . 2]" 1
250 4 14 GLN HB2 4 15 ASP HA 5.180 . 5.180 4.617 4.514 4.736 . 0 0 "[ . 1 . 2]" 1
251 2 11 ALA MB 2 15 ASP HA 5.500 . 5.500 5.541 5.502 5.576 0.076 5 0 "[ . 1 . 2]" 1
252 4 11 ALA MB 4 15 ASP HA 5.500 . 5.500 5.544 5.508 5.589 0.089 5 0 "[ . 1 . 2]" 1
253 2 10 PHE HA 2 14 GLN HG2 5.030 . 5.030 4.271 4.052 4.469 . 0 0 "[ . 1 . 2]" 1
254 4 10 PHE HA 4 14 GLN HG2 5.030 . 5.030 4.304 4.133 4.579 . 0 0 "[ . 1 . 2]" 1
255 2 11 ALA MB 2 14 GLN HB2 4.420 . 4.420 3.915 3.759 4.043 . 0 0 "[ . 1 . 2]" 1
256 4 11 ALA MB 4 14 GLN HB2 4.420 . 4.420 3.919 3.756 4.021 . 0 0 "[ . 1 . 2]" 1
257 2 14 GLN HB3 2 15 ASP HA 4.980 . 4.980 4.057 3.959 4.129 . 0 0 "[ . 1 . 2]" 1
258 4 14 GLN HB3 4 15 ASP HA 4.980 . 4.980 4.053 3.917 4.213 . 0 0 "[ . 1 . 2]" 1
259 2 19 HIS HA 2 20 ARG HA 4.730 . 4.730 4.762 4.686 4.820 0.090 17 0 "[ . 1 . 2]" 1
260 4 19 HIS HA 4 20 ARG HA 4.730 . 4.730 4.760 4.694 4.818 0.088 17 0 "[ . 1 . 2]" 1
261 1 35 SER HA 2 20 ARG HA 5.060 . 5.060 4.842 4.586 5.029 . 0 0 "[ . 1 . 2]" 1
262 3 35 SER HA 4 20 ARG HA 5.060 . 5.060 4.836 4.471 5.079 0.019 13 0 "[ . 1 . 2]" 1
263 2 7 LEU HB3 2 11 ALA H 4.680 . 4.680 4.135 4.020 4.239 . 0 0 "[ . 1 . 2]" 1
264 4 7 LEU HB3 4 11 ALA H 4.680 . 4.680 4.142 4.035 4.230 . 0 0 "[ . 1 . 2]" 1
265 2 7 LEU HB3 2 11 ALA MB 3.320 . 3.320 3.345 3.285 3.399 0.079 1 0 "[ . 1 . 2]" 1
266 4 7 LEU HB3 4 11 ALA MB 3.320 . 3.320 3.350 3.260 3.389 0.069 15 0 "[ . 1 . 2]" 1
267 2 12 ARG HB3 2 13 LEU H 4.620 . 4.620 3.875 3.803 3.944 . 0 0 "[ . 1 . 2]" 1
268 4 12 ARG HB3 4 13 LEU H 4.620 . 4.620 3.875 3.787 3.954 . 0 0 "[ . 1 . 2]" 1
269 2 12 ARG HB2 2 13 LEU H 4.890 . 4.890 3.817 3.725 3.870 . 0 0 "[ . 1 . 2]" 1
270 4 12 ARG HB2 4 13 LEU H 4.890 . 4.890 3.818 3.718 3.866 . 0 0 "[ . 1 . 2]" 1
271 2 5 ASN HD22 2 8 ALA MB 5.280 . 5.280 4.536 4.207 4.828 . 0 0 "[ . 1 . 2]" 1
272 4 5 ASN HD22 4 8 ALA MB 5.280 . 5.280 4.557 4.265 4.868 . 0 0 "[ . 1 . 2]" 1
273 2 10 PHE QB 2 11 ALA HA 4.480 . 4.480 3.877 3.754 4.169 . 0 0 "[ . 1 . 2]" 1
274 4 10 PHE QB 4 11 ALA HA 4.480 . 4.480 3.880 3.740 4.161 . 0 0 "[ . 1 . 2]" 1
275 2 10 PHE QB 2 14 GLN HG2 4.930 . 4.930 4.350 3.912 4.999 0.069 11 0 "[ . 1 . 2]" 1
276 4 10 PHE QB 4 14 GLN HG2 4.930 . 4.930 4.377 4.032 4.991 0.061 2 0 "[ . 1 . 2]" 1
277 2 10 PHE QB 2 14 GLN HG3 5.360 . 5.360 4.454 4.012 5.180 . 0 0 "[ . 1 . 2]" 1
278 4 10 PHE QB 4 14 GLN HG3 5.360 . 5.360 4.475 3.931 5.192 . 0 0 "[ . 1 . 2]" 1
279 2 10 PHE HA 2 11 ALA MB 5.230 . 5.230 5.007 4.958 5.041 . 0 0 "[ . 1 . 2]" 1
280 4 10 PHE HA 4 11 ALA MB 5.230 . 5.230 5.009 4.984 5.041 . 0 0 "[ . 1 . 2]" 1
281 2 10 PHE HA 2 11 ALA HA 4.960 . 4.960 4.637 4.593 4.715 . 0 0 "[ . 1 . 2]" 1
282 4 10 PHE HA 4 11 ALA HA 4.960 . 4.960 4.644 4.588 4.725 . 0 0 "[ . 1 . 2]" 1
283 2 8 ALA MB 2 12 ARG HB3 4.360 . 4.360 4.191 4.084 4.269 . 0 0 "[ . 1 . 2]" 1
284 4 8 ALA MB 4 12 ARG HB3 4.360 . 4.360 4.191 4.113 4.276 . 0 0 "[ . 1 . 2]" 1
285 2 11 ALA MB 2 12 ARG HB3 4.680 . 4.680 4.148 4.016 4.261 . 0 0 "[ . 1 . 2]" 1
286 4 11 ALA MB 4 12 ARG HB3 4.680 . 4.680 4.128 3.988 4.288 . 0 0 "[ . 1 . 2]" 1
287 2 8 ALA MB 2 12 ARG HB2 5.500 . 5.500 5.498 5.366 5.573 0.073 3 0 "[ . 1 . 2]" 1
288 4 8 ALA MB 4 12 ARG HB2 5.500 . 5.500 5.499 5.435 5.581 0.081 3 0 "[ . 1 . 2]" 1
289 2 11 ALA MB 2 12 ARG HB2 5.500 . 5.500 5.312 5.210 5.393 . 0 0 "[ . 1 . 2]" 1
290 4 11 ALA MB 4 12 ARG HB2 5.500 . 5.500 5.295 5.190 5.421 . 0 0 "[ . 1 . 2]" 1
291 2 8 ALA HA 2 12 ARG HB3 4.760 . 4.760 4.144 3.988 4.346 . 0 0 "[ . 1 . 2]" 1
292 4 8 ALA HA 4 12 ARG HB3 4.760 . 4.760 4.147 3.997 4.371 . 0 0 "[ . 1 . 2]" 1
293 2 8 ALA HA 2 9 GLU HB2 5.500 . 5.500 5.518 5.502 5.535 0.035 20 0 "[ . 1 . 2]" 1
294 4 8 ALA HA 4 9 GLU HB2 5.500 . 5.500 5.517 5.478 5.533 0.033 6 0 "[ . 1 . 2]" 1
295 2 8 ALA HA 2 10 PHE QB 5.500 . 5.500 5.507 5.399 5.546 0.046 19 0 "[ . 1 . 2]" 1
296 4 8 ALA HA 4 10 PHE QB 5.500 . 5.500 5.506 5.408 5.549 0.049 13 0 "[ . 1 . 2]" 1
297 2 8 ALA HA 2 12 ARG HD3 5.500 . 5.500 4.731 4.158 5.647 0.147 4 0 "[ . 1 . 2]" 1
298 4 8 ALA HA 4 12 ARG HD3 5.500 . 5.500 4.737 4.130 5.636 0.136 4 0 "[ . 1 . 2]" 1
299 2 8 ALA HA 2 12 ARG HD2 5.500 . 5.500 5.345 4.662 5.645 0.145 18 0 "[ . 1 . 2]" 1
300 4 8 ALA HA 4 12 ARG HD2 5.500 . 5.500 5.353 4.702 5.654 0.154 18 0 "[ . 1 . 2]" 1
301 2 2 SER HB2 2 3 GLU HB3 5.130 . 5.130 4.863 4.453 5.163 0.033 10 0 "[ . 1 . 2]" 1
302 4 2 SER HB2 4 3 GLU HB3 5.130 . 5.130 4.879 4.490 5.163 0.033 10 0 "[ . 1 . 2]" 1
303 2 2 SER HB2 2 3 GLU HA 5.320 . 5.320 5.221 5.022 5.331 0.011 17 0 "[ . 1 . 2]" 1
304 4 2 SER HB2 4 3 GLU HA 5.320 . 5.320 5.216 5.003 5.340 0.020 17 0 "[ . 1 . 2]" 1
305 2 2 SER HA 2 3 GLU HA 4.730 . 4.730 4.275 4.127 4.349 . 0 0 "[ . 1 . 2]" 1
306 4 2 SER HA 4 3 GLU HA 4.730 . 4.730 4.271 4.164 4.334 . 0 0 "[ . 1 . 2]" 1
307 2 2 SER HA 2 3 GLU HB2 5.000 . 5.000 4.563 4.217 4.865 . 0 0 "[ . 1 . 2]" 1
308 4 2 SER HA 4 3 GLU HB2 5.000 . 5.000 4.596 4.281 4.924 . 0 0 "[ . 1 . 2]" 1
309 2 3 GLU HB3 2 4 LEU HA 4.470 . 4.470 4.293 4.079 4.478 0.008 6 0 "[ . 1 . 2]" 1
310 4 3 GLU HB3 4 4 LEU HA 4.470 . 4.470 4.295 4.090 4.470 . 0 0 "[ . 1 . 2]" 1
311 2 3 GLU H 2 4 LEU H 3.640 . 3.640 2.849 2.683 2.944 . 0 0 "[ . 1 . 2]" 1
312 4 3 GLU H 4 4 LEU H 3.640 . 3.640 2.848 2.715 2.936 . 0 0 "[ . 1 . 2]" 1
313 2 2 SER HA 2 3 GLU H 3.190 . 3.190 2.570 2.402 2.764 . 0 0 "[ . 1 . 2]" 1
314 4 2 SER HA 4 3 GLU H 3.190 . 3.190 2.592 2.429 2.805 . 0 0 "[ . 1 . 2]" 1
315 2 2 SER HB3 2 3 GLU H 4.050 . 4.050 2.157 1.908 2.379 . 0 0 "[ . 1 . 2]" 1
316 4 2 SER HB3 4 3 GLU H 4.050 . 4.050 2.140 1.954 2.332 . 0 0 "[ . 1 . 2]" 1
317 2 3 GLU H 2 3 GLU HB3 3.280 . 3.280 2.552 2.419 2.736 . 0 0 "[ . 1 . 2]" 1
318 4 3 GLU H 4 3 GLU HB3 3.280 . 3.280 2.566 2.449 2.722 . 0 0 "[ . 1 . 2]" 1
319 2 3 GLU H 2 3 GLU HB2 3.250 . 3.250 2.286 2.030 2.439 . 0 0 "[ . 1 . 2]" 1
320 4 3 GLU H 4 3 GLU HB2 3.250 . 3.250 2.308 2.071 2.503 . 0 0 "[ . 1 . 2]" 1
321 2 3 GLU H 2 4 LEU HG 4.540 . 4.540 4.412 4.226 4.546 0.006 20 0 "[ . 1 . 2]" 1
322 4 3 GLU H 4 4 LEU HG 4.540 . 4.540 4.414 4.213 4.543 0.003 20 0 "[ . 1 . 2]" 1
323 2 3 GLU H 2 6 GLU HG2 4.130 . 4.130 4.061 3.964 4.140 0.010 19 0 "[ . 1 . 2]" 1
324 4 3 GLU H 4 6 GLU HG2 4.130 . 4.130 4.076 4.014 4.137 0.007 6 0 "[ . 1 . 2]" 1
325 2 3 GLU H 2 4 LEU MD2 5.140 . 5.140 3.411 3.107 4.180 . 0 0 "[ . 1 . 2]" 1
326 4 3 GLU H 4 4 LEU MD2 5.140 . 5.140 3.414 3.071 4.306 . 0 0 "[ . 1 . 2]" 1
327 2 3 GLU H 2 4 LEU MD1 5.500 . 5.500 5.539 5.515 5.560 0.060 19 0 "[ . 1 . 2]" 1
328 4 3 GLU H 4 4 LEU MD1 5.500 . 5.500 5.539 5.501 5.571 0.071 6 0 "[ . 1 . 2]" 1
329 2 4 LEU H 2 6 GLU H 4.600 . 4.600 4.363 4.163 4.463 . 0 0 "[ . 1 . 2]" 1
330 4 4 LEU H 4 6 GLU H 4.600 . 4.600 4.369 4.257 4.455 . 0 0 "[ . 1 . 2]" 1
331 2 4 LEU H 2 5 ASN H 3.250 . 3.250 2.737 2.605 2.820 . 0 0 "[ . 1 . 2]" 1
332 4 4 LEU H 4 5 ASN H 3.250 . 3.250 2.737 2.633 2.807 . 0 0 "[ . 1 . 2]" 1
333 2 2 SER HA 2 4 LEU H 4.870 . 4.870 4.695 4.554 4.824 . 0 0 "[ . 1 . 2]" 1
334 4 2 SER HA 4 4 LEU H 4.870 . 4.870 4.714 4.592 4.844 . 0 0 "[ . 1 . 2]" 1
335 2 2 SER HB3 2 4 LEU H 5.270 . 5.270 3.561 3.387 3.757 . 0 0 "[ . 1 . 2]" 1
336 4 2 SER HB3 4 4 LEU H 5.270 . 5.270 3.585 3.390 3.795 . 0 0 "[ . 1 . 2]" 1
337 2 4 LEU H 2 6 GLU HG3 5.360 . 5.360 4.690 4.549 4.842 . 0 0 "[ . 1 . 2]" 1
338 4 4 LEU H 4 6 GLU HG3 5.360 . 5.360 4.690 4.565 4.765 . 0 0 "[ . 1 . 2]" 1
339 2 3 GLU HB3 2 4 LEU H 3.640 . 3.640 2.513 2.240 2.982 . 0 0 "[ . 1 . 2]" 1
340 4 3 GLU HB3 4 4 LEU H 3.640 . 3.640 2.530 2.275 2.811 . 0 0 "[ . 1 . 2]" 1
341 2 3 GLU HB2 2 4 LEU H 4.010 . 4.010 3.766 3.460 4.004 . 0 0 "[ . 1 . 2]" 1
342 4 3 GLU HB2 4 4 LEU H 4.010 . 4.010 3.782 3.471 3.957 . 0 0 "[ . 1 . 2]" 1
343 2 4 LEU H 2 4 LEU MD2 3.730 . 3.730 1.860 1.679 2.800 . 0 0 "[ . 1 . 2]" 1
344 4 4 LEU H 4 4 LEU MD2 3.730 . 3.730 1.860 1.676 2.820 . 0 0 "[ . 1 . 2]" 1
345 2 4 LEU H 2 4 LEU HB3 3.170 . 3.170 2.760 2.509 2.944 . 0 0 "[ . 1 . 2]" 1
346 4 4 LEU H 4 4 LEU HB3 3.170 . 3.170 2.765 2.520 2.952 . 0 0 "[ . 1 . 2]" 1
347 2 4 LEU H 2 4 LEU HG 2.670 . 2.670 2.446 2.266 2.671 0.001 20 0 "[ . 1 . 2]" 1
348 4 4 LEU H 4 4 LEU HG 2.670 . 2.670 2.444 2.211 2.679 0.009 20 0 "[ . 1 . 2]" 1
349 2 4 LEU H 2 4 LEU MD1 4.340 . 4.340 3.815 3.750 3.884 . 0 0 "[ . 1 . 2]" 1
350 4 4 LEU H 4 4 LEU MD1 4.340 . 4.340 3.814 3.741 3.904 . 0 0 "[ . 1 . 2]" 1
351 2 4 LEU HA 2 5 ASN H 3.530 . 3.530 3.511 3.486 3.536 0.006 13 0 "[ . 1 . 2]" 1
352 4 4 LEU HA 4 5 ASN H 3.530 . 3.530 3.509 3.457 3.530 . 0 0 "[ . 1 . 2]" 1
353 2 2 SER HB2 2 5 ASN H 4.830 . 4.830 3.364 2.846 3.853 . 0 0 "[ . 1 . 2]" 1
354 4 2 SER HB2 4 5 ASN H 4.830 . 4.830 3.417 2.954 3.923 . 0 0 "[ . 1 . 2]" 1
355 2 5 ASN H 2 6 GLU HG2 5.090 . 5.090 3.817 3.683 4.007 . 0 0 "[ . 1 . 2]" 1
356 4 5 ASN H 4 6 GLU HG2 5.090 . 5.090 3.835 3.567 4.095 . 0 0 "[ . 1 . 2]" 1
357 2 5 ASN H 2 6 GLU HG3 5.330 . 5.330 4.196 4.020 4.338 . 0 0 "[ . 1 . 2]" 1
358 4 5 ASN H 4 6 GLU HG3 5.330 . 5.330 4.191 4.036 4.341 . 0 0 "[ . 1 . 2]" 1
359 2 3 GLU HB3 2 5 ASN H 5.500 . 5.500 4.989 4.712 5.348 . 0 0 "[ . 1 . 2]" 1
360 4 3 GLU HB3 4 5 ASN H 5.500 . 5.500 5.005 4.739 5.251 . 0 0 "[ . 1 . 2]" 1
361 2 5 ASN H 2 6 GLU HB3 5.500 . 5.500 5.167 4.970 5.322 . 0 0 "[ . 1 . 2]" 1
362 4 5 ASN H 4 6 GLU HB3 5.500 . 5.500 5.177 5.032 5.334 . 0 0 "[ . 1 . 2]" 1
363 2 4 LEU HG 2 5 ASN H 3.490 . 3.490 2.075 1.889 2.306 . 0 0 "[ . 1 . 2]" 1
364 4 4 LEU HG 4 5 ASN H 3.490 . 3.490 2.075 1.889 2.244 . 0 0 "[ . 1 . 2]" 1
365 2 5 ASN H 2 8 ALA MB 4.430 . 4.430 4.423 4.349 4.462 0.032 3 0 "[ . 1 . 2]" 1
366 4 5 ASN H 4 8 ALA MB 4.430 . 4.430 4.423 4.356 4.470 0.040 3 0 "[ . 1 . 2]" 1
367 2 4 LEU MD2 2 5 ASN H 4.360 . 4.360 3.516 3.255 3.785 . 0 0 "[ . 1 . 2]" 1
368 4 4 LEU MD2 4 5 ASN H 4.360 . 4.360 3.513 3.167 3.791 . 0 0 "[ . 1 . 2]" 1
369 2 5 ASN HA 2 5 ASN HD22 4.460 . 4.460 3.530 3.420 3.721 . 0 0 "[ . 1 . 2]" 1
370 4 5 ASN HA 4 5 ASN HD22 4.460 . 4.460 3.523 3.433 3.720 . 0 0 "[ . 1 . 2]" 1
371 2 5 ASN HA 2 5 ASN HD21 4.460 . 4.460 2.031 1.808 2.604 . 0 0 "[ . 1 . 2]" 1
372 4 5 ASN HA 4 5 ASN HD21 4.460 . 4.460 1.987 1.838 2.575 . 0 0 "[ . 1 . 2]" 1
373 2 5 ASN H 2 6 GLU H 3.240 . 3.240 2.505 2.297 2.637 . 0 0 "[ . 1 . 2]" 1
374 4 5 ASN H 4 6 GLU H 3.240 . 3.240 2.511 2.327 2.661 . 0 0 "[ . 1 . 2]" 1
375 2 3 GLU HA 2 6 GLU H 3.860 . 3.860 3.763 3.473 3.885 0.025 14 0 "[ . 1 . 2]" 1
376 4 3 GLU HA 4 6 GLU H 3.860 . 3.860 3.748 3.603 3.879 0.019 17 0 "[ . 1 . 2]" 1
377 2 5 ASN HB2 2 6 GLU H 3.810 . 3.810 3.348 3.201 3.441 . 0 0 "[ . 1 . 2]" 1
378 4 5 ASN HB2 4 6 GLU H 3.810 . 3.810 3.360 3.245 3.428 . 0 0 "[ . 1 . 2]" 1
379 2 5 ASN HB3 2 6 GLU H 3.810 . 3.810 2.030 1.921 2.136 . 0 0 "[ . 1 . 2]" 1
380 4 5 ASN HB3 4 6 GLU H 3.810 . 3.810 2.021 1.940 2.131 . 0 0 "[ . 1 . 2]" 1
381 2 6 GLU H 2 6 GLU HG2 3.650 . 3.650 2.038 1.924 2.231 . 0 0 "[ . 1 . 2]" 1
382 4 6 GLU H 4 6 GLU HG2 3.650 . 3.650 2.049 1.908 2.216 . 0 0 "[ . 1 . 2]" 1
383 2 6 GLU H 2 6 GLU HG3 3.820 . 3.820 2.435 2.313 2.581 . 0 0 "[ . 1 . 2]" 1
384 4 6 GLU H 4 6 GLU HG3 3.820 . 3.820 2.423 2.349 2.520 . 0 0 "[ . 1 . 2]" 1
385 2 6 GLU H 2 7 LEU HB2 4.840 . 4.840 4.871 4.855 4.889 0.049 1 0 "[ . 1 . 2]" 1
386 4 6 GLU H 4 7 LEU HB2 4.840 . 4.840 4.869 4.845 4.887 0.047 10 0 "[ . 1 . 2]" 1
387 2 6 GLU H 2 8 ALA MB 4.900 . 4.900 4.537 4.438 4.612 . 0 0 "[ . 1 . 2]" 1
388 4 6 GLU H 4 8 ALA MB 4.900 . 4.900 4.536 4.446 4.618 . 0 0 "[ . 1 . 2]" 1
389 2 4 LEU MD2 2 6 GLU H 5.500 . 5.500 5.373 5.153 5.649 0.149 9 0 "[ . 1 . 2]" 1
390 4 4 LEU MD2 4 6 GLU H 5.500 . 5.500 5.376 5.106 5.672 0.172 9 0 "[ . 1 . 2]" 1
391 2 4 LEU MD1 2 6 GLU H 5.500 . 5.500 5.449 4.496 5.584 0.084 2 0 "[ . 1 . 2]" 1
392 4 4 LEU MD1 4 6 GLU H 5.500 . 5.500 5.454 4.453 5.588 0.088 10 0 "[ . 1 . 2]" 1
393 2 6 GLU H 2 6 GLU HB3 2.820 . 2.820 2.778 2.730 2.821 0.001 13 0 "[ . 1 . 2]" 1
394 4 6 GLU H 4 6 GLU HB3 2.820 . 2.820 2.781 2.721 2.827 0.007 17 0 "[ . 1 . 2]" 1
395 2 7 LEU H 2 8 ALA H 3.180 . 3.180 2.510 2.483 2.544 . 0 0 "[ . 1 . 2]" 1
396 4 7 LEU H 4 8 ALA H 3.180 . 3.180 2.510 2.477 2.540 . 0 0 "[ . 1 . 2]" 1
397 2 5 ASN H 2 7 LEU H 4.080 . 4.080 3.984 3.870 4.089 0.009 13 0 "[ . 1 . 2]" 1
398 4 5 ASN H 4 7 LEU H 4.080 . 4.080 3.981 3.891 4.108 0.028 3 0 "[ . 1 . 2]" 1
399 2 6 GLU H 2 7 LEU H 3.180 . 3.180 2.629 2.600 2.672 . 0 0 "[ . 1 . 2]" 1
400 4 6 GLU H 4 7 LEU H 3.180 . 3.180 2.621 2.585 2.664 . 0 0 "[ . 1 . 2]" 1
401 2 7 LEU H 2 10 PHE QB 4.620 . 4.620 4.654 4.616 4.688 0.068 6 0 "[ . 1 . 2]" 1
402 4 7 LEU H 4 10 PHE QB 4.620 . 4.620 4.653 4.628 4.687 0.067 9 0 "[ . 1 . 2]" 1
403 2 5 ASN HB2 2 7 LEU H 5.500 . 5.500 5.537 5.488 5.585 0.085 13 0 "[ . 1 . 2]" 1
404 4 5 ASN HB2 4 7 LEU H 5.500 . 5.500 5.541 5.521 5.570 0.070 7 0 "[ . 1 . 2]" 1
405 2 5 ASN HB3 2 7 LEU H 5.500 . 5.500 4.563 4.470 4.678 . 0 0 "[ . 1 . 2]" 1
406 4 5 ASN HB3 4 7 LEU H 5.500 . 5.500 4.548 4.457 4.668 . 0 0 "[ . 1 . 2]" 1
407 2 6 GLU HG3 2 7 LEU H 4.000 . 4.000 1.933 1.844 1.985 . 0 0 "[ . 1 . 2]" 1
408 4 6 GLU HG3 4 7 LEU H 4.000 . 4.000 1.937 1.848 2.003 . 0 0 "[ . 1 . 2]" 1
409 2 6 GLU HB2 2 7 LEU H 3.560 . 3.560 3.564 3.509 3.597 0.037 8 0 "[ . 1 . 2]" 1
410 4 6 GLU HB2 4 7 LEU H 3.560 . 3.560 3.564 3.514 3.596 0.036 2 0 "[ . 1 . 2]" 1
411 2 7 LEU H 2 8 ALA MB 4.190 . 4.190 4.227 4.205 4.257 0.067 9 0 "[ . 1 . 2]" 1
412 4 7 LEU H 4 8 ALA MB 4.190 . 4.190 4.227 4.205 4.244 0.054 4 0 "[ . 1 . 2]" 1
413 2 7 LEU H 2 7 LEU MD1 4.200 . 4.200 3.953 3.819 4.098 . 0 0 "[ . 1 . 2]" 1
414 4 7 LEU H 4 7 LEU MD1 4.200 . 4.200 3.951 3.793 4.075 . 0 0 "[ . 1 . 2]" 1
415 2 7 LEU H 2 7 LEU HB2 2.900 . 2.900 2.433 2.396 2.472 . 0 0 "[ . 1 . 2]" 1
416 4 7 LEU H 4 7 LEU HB2 2.900 . 2.900 2.443 2.416 2.468 . 0 0 "[ . 1 . 2]" 1
417 2 6 GLU H 2 8 ALA H 4.250 . 4.250 3.808 3.722 3.875 . 0 0 "[ . 1 . 2]" 1
418 4 6 GLU H 4 8 ALA H 4.250 . 4.250 3.805 3.738 3.851 . 0 0 "[ . 1 . 2]" 1
419 2 5 ASN HA 2 8 ALA H 4.780 . 4.780 3.604 3.445 3.688 . 0 0 "[ . 1 . 2]" 1
420 4 5 ASN HA 4 8 ALA H 4.780 . 4.780 3.608 3.454 3.694 . 0 0 "[ . 1 . 2]" 1
421 2 8 ALA H 2 10 PHE QB 4.920 . 4.920 4.913 4.846 4.936 0.016 7 0 "[ . 1 . 2]" 1
422 4 8 ALA H 4 10 PHE QB 4.920 . 4.920 4.913 4.875 4.938 0.018 2 0 "[ . 1 . 2]" 1
423 2 5 ASN HB2 2 8 ALA H 5.500 . 5.500 5.522 5.433 5.560 0.060 13 0 "[ . 1 . 2]" 1
424 4 5 ASN HB2 4 8 ALA H 5.500 . 5.500 5.525 5.460 5.560 0.060 3 0 "[ . 1 . 2]" 1
425 2 5 ASN HB3 2 8 ALA H 5.500 . 5.500 5.059 4.977 5.126 . 0 0 "[ . 1 . 2]" 1
426 4 5 ASN HB3 4 8 ALA H 5.500 . 5.500 5.057 5.005 5.109 . 0 0 "[ . 1 . 2]" 1
427 2 6 GLU HG3 2 8 ALA H 4.370 . 4.370 4.360 4.284 4.397 0.027 16 0 "[ . 1 . 2]" 1
428 4 6 GLU HG3 4 8 ALA H 4.370 . 4.370 4.362 4.307 4.395 0.025 6 0 "[ . 1 . 2]" 1
429 2 8 ALA H 2 9 GLU HB2 4.710 . 4.710 4.699 4.595 4.741 0.031 8 0 "[ . 1 . 2]" 1
430 4 8 ALA H 4 9 GLU HB2 4.710 . 4.710 4.701 4.605 4.753 0.043 8 0 "[ . 1 . 2]" 1
431 2 7 LEU HB2 2 8 ALA H 3.230 . 3.230 3.167 3.070 3.248 0.018 18 0 "[ . 1 . 2]" 1
432 4 7 LEU HB2 4 8 ALA H 3.230 . 3.230 3.168 3.078 3.242 0.012 13 0 "[ . 1 . 2]" 1
433 2 8 ALA H 2 8 ALA MB 2.590 . 2.590 2.244 2.227 2.260 . 0 0 "[ . 1 . 2]" 1
434 4 8 ALA H 4 8 ALA MB 2.590 . 2.590 2.244 2.219 2.260 . 0 0 "[ . 1 . 2]" 1
435 2 9 GLU H 2 11 ALA H 4.650 . 4.650 4.295 4.201 4.421 . 0 0 "[ . 1 . 2]" 1
436 4 9 GLU H 4 11 ALA H 4.650 . 4.650 4.293 4.207 4.415 . 0 0 "[ . 1 . 2]" 1
437 2 5 ASN HA 2 9 GLU H 4.190 . 4.190 4.223 4.192 4.252 0.062 19 0 "[ . 1 . 2]" 1
438 4 5 ASN HA 4 9 GLU H 4.190 . 4.190 4.226 4.191 4.251 0.061 19 0 "[ . 1 . 2]" 1
439 2 9 GLU H 2 10 PHE HA 5.360 . 5.360 5.249 5.200 5.283 . 0 0 "[ . 1 . 2]" 1
440 4 9 GLU H 4 10 PHE HA 5.360 . 5.360 5.250 5.203 5.294 . 0 0 "[ . 1 . 2]" 1
441 2 8 ALA MB 2 9 GLU H 3.070 . 3.070 2.250 2.198 2.298 . 0 0 "[ . 1 . 2]" 1
442 4 8 ALA MB 4 9 GLU H 3.070 . 3.070 2.255 2.190 2.340 . 0 0 "[ . 1 . 2]" 1
443 2 9 GLU H 2 9 GLU HG3 3.970 . 3.970 4.043 4.026 4.059 0.089 11 0 "[ . 1 . 2]" 1
444 4 9 GLU H 4 9 GLU HG3 3.970 . 3.970 4.043 4.028 4.060 0.090 3 0 "[ . 1 . 2]" 1
445 2 9 GLU H 2 9 GLU HB2 2.880 . 2.880 2.200 2.159 2.247 . 0 0 "[ . 1 . 2]" 1
446 4 9 GLU H 4 9 GLU HB2 2.880 . 2.880 2.200 2.155 2.258 . 0 0 "[ . 1 . 2]" 1
447 2 9 GLU H 2 9 GLU HB3 3.170 . 3.170 2.700 2.593 2.757 . 0 0 "[ . 1 . 2]" 1
448 4 9 GLU H 4 9 GLU HB3 3.170 . 3.170 2.709 2.633 2.827 . 0 0 "[ . 1 . 2]" 1
449 2 10 PHE H 2 12 ARG H 4.130 . 4.130 4.015 3.948 4.090 . 0 0 "[ . 1 . 2]" 1
450 4 10 PHE H 4 12 ARG H 4.130 . 4.130 4.017 3.917 4.108 . 0 0 "[ . 1 . 2]" 1
451 2 10 PHE H 2 11 ALA H 3.230 . 3.230 2.694 2.611 2.796 . 0 0 "[ . 1 . 2]" 1
452 4 10 PHE H 4 11 ALA H 3.230 . 3.230 2.685 2.602 2.772 . 0 0 "[ . 1 . 2]" 1
453 2 9 GLU HG2 2 10 PHE H 5.120 . 5.120 4.090 3.947 4.186 . 0 0 "[ . 1 . 2]" 1
454 4 9 GLU HG2 4 10 PHE H 5.120 . 5.120 4.111 4.012 4.271 . 0 0 "[ . 1 . 2]" 1
455 2 9 GLU HB2 2 10 PHE H 4.970 . 4.970 3.596 3.543 3.708 . 0 0 "[ . 1 . 2]" 1
456 4 9 GLU HB2 4 10 PHE H 4.970 . 4.970 3.606 3.526 3.696 . 0 0 "[ . 1 . 2]" 1
457 2 9 GLU HB3 2 10 PHE H 5.130 . 5.130 2.529 2.439 2.627 . 0 0 "[ . 1 . 2]" 1
458 4 9 GLU HB3 4 10 PHE H 5.130 . 5.130 2.554 2.460 2.702 . 0 0 "[ . 1 . 2]" 1
459 2 10 PHE H 2 12 ARG HG2 3.950 . 3.950 4.085 4.042 4.114 0.164 1 0 "[ . 1 . 2]" 1
460 4 10 PHE H 4 12 ARG HG2 3.950 . 3.950 4.086 4.043 4.117 0.167 6 0 "[ . 1 . 2]" 1
461 2 8 ALA HA 2 11 ALA H 4.020 . 4.020 3.826 3.732 3.953 . 0 0 "[ . 1 . 2]" 1
462 4 8 ALA HA 4 11 ALA H 4.020 . 4.020 3.823 3.739 3.911 . 0 0 "[ . 1 . 2]" 1
463 2 10 PHE QB 2 11 ALA H 3.370 . 3.370 2.683 2.561 2.748 . 0 0 "[ . 1 . 2]" 1
464 4 10 PHE QB 4 11 ALA H 3.370 . 3.370 2.683 2.535 2.770 . 0 0 "[ . 1 . 2]" 1
465 2 11 ALA H 2 14 GLN HB2 4.690 . 4.690 4.763 4.718 4.821 0.131 6 0 "[ . 1 . 2]" 1
466 4 11 ALA H 4 14 GLN HB2 4.690 . 4.690 4.764 4.725 4.813 0.123 17 0 "[ . 1 . 2]" 1
467 2 7 LEU HB2 2 11 ALA H 5.330 . 5.330 5.256 5.160 5.347 0.017 1 0 "[ . 1 . 2]" 1
468 4 7 LEU HB2 4 11 ALA H 5.330 . 5.330 5.264 5.184 5.337 0.007 1 0 "[ . 1 . 2]" 1
469 2 11 ALA H 2 11 ALA MB 2.750 . 2.750 2.259 2.225 2.282 . 0 0 "[ . 1 . 2]" 1
470 4 11 ALA H 4 11 ALA MB 2.750 . 2.750 2.260 2.215 2.292 . 0 0 "[ . 1 . 2]" 1
471 2 11 ALA H 2 12 ARG H 3.130 . 3.130 2.490 2.403 2.634 . 0 0 "[ . 1 . 2]" 1
472 4 11 ALA H 4 12 ARG H 3.130 . 3.130 2.495 2.393 2.650 . 0 0 "[ . 1 . 2]" 1
473 2 12 ARG H 2 14 GLN HB2 5.030 . 5.030 4.967 4.841 5.053 0.023 7 0 "[ . 1 . 2]" 1
474 4 12 ARG H 4 14 GLN HB2 5.030 . 5.030 4.963 4.824 5.034 0.004 2 0 "[ . 1 . 2]" 1
475 1 46 LEU MD2 2 12 ARG H 4.870 . 4.870 4.139 3.924 4.468 . 0 0 "[ . 1 . 2]" 1
476 3 46 LEU MD2 4 12 ARG H 4.870 . 4.870 4.143 3.949 4.476 . 0 0 "[ . 1 . 2]" 1
477 2 12 ARG H 2 13 LEU H 3.670 . 3.670 2.676 2.605 2.766 . 0 0 "[ . 1 . 2]" 1
478 4 12 ARG H 4 13 LEU H 3.670 . 3.670 2.681 2.607 2.802 . 0 0 "[ . 1 . 2]" 1
479 2 11 ALA H 2 13 LEU H 4.490 . 4.490 4.098 3.980 4.272 . 0 0 "[ . 1 . 2]" 1
480 4 11 ALA H 4 13 LEU H 4.490 . 4.490 4.099 3.985 4.247 . 0 0 "[ . 1 . 2]" 1
481 2 10 PHE HA 2 13 LEU H 4.210 . 4.210 3.630 3.570 3.782 . 0 0 "[ . 1 . 2]" 1
482 4 10 PHE HA 4 13 LEU H 4.210 . 4.210 3.635 3.539 3.748 . 0 0 "[ . 1 . 2]" 1
483 2 13 LEU H 2 14 GLN HA 5.480 . 5.480 5.242 5.178 5.294 . 0 0 "[ . 1 . 2]" 1
484 4 13 LEU H 4 14 GLN HA 5.480 . 5.480 5.243 5.199 5.306 . 0 0 "[ . 1 . 2]" 1
485 2 12 ARG HD2 2 13 LEU H 5.460 . 5.460 4.843 4.720 4.944 . 0 0 "[ . 1 . 2]" 1
486 4 12 ARG HD2 4 13 LEU H 5.460 . 5.460 4.840 4.723 4.946 . 0 0 "[ . 1 . 2]" 1
487 2 12 ARG HG3 2 13 LEU H 2.990 . 2.990 2.428 1.925 2.611 . 0 0 "[ . 1 . 2]" 1
488 4 12 ARG HG3 4 13 LEU H 2.990 . 2.990 2.423 1.933 2.594 . 0 0 "[ . 1 . 2]" 1
489 2 11 ALA MB 2 13 LEU H 4.750 . 4.750 4.649 4.566 4.711 . 0 0 "[ . 1 . 2]" 1
490 4 11 ALA MB 4 13 LEU H 4.750 . 4.750 4.643 4.551 4.713 . 0 0 "[ . 1 . 2]" 1
491 2 13 LEU H 2 13 LEU MD2 3.950 . 3.950 3.541 2.545 3.935 . 0 0 "[ . 1 . 2]" 1
492 4 13 LEU H 4 13 LEU MD2 3.950 . 3.950 3.536 2.554 3.927 . 0 0 "[ . 1 . 2]" 1
493 2 12 ARG HG2 2 13 LEU H 3.280 . 3.280 2.425 2.334 2.682 . 0 0 "[ . 1 . 2]" 1
494 4 12 ARG HG2 4 13 LEU H 3.280 . 3.280 2.421 2.303 2.664 . 0 0 "[ . 1 . 2]" 1
495 2 13 LEU H 2 13 LEU HB2 3.420 . 3.420 2.317 2.168 2.453 . 0 0 "[ . 1 . 2]" 1
496 4 13 LEU H 4 13 LEU HB2 3.420 . 3.420 2.324 2.181 2.442 . 0 0 "[ . 1 . 2]" 1
497 2 13 LEU H 2 13 LEU MD1 3.950 . 3.950 3.227 2.444 3.959 0.009 4 0 "[ . 1 . 2]" 1
498 4 13 LEU H 4 13 LEU MD1 3.950 . 3.950 3.220 2.428 3.957 0.007 4 0 "[ . 1 . 2]" 1
499 2 13 LEU H 2 14 GLN H 3.090 . 3.090 2.672 2.610 2.720 . 0 0 "[ . 1 . 2]" 1
500 4 13 LEU H 4 14 GLN H 3.090 . 3.090 2.672 2.614 2.732 . 0 0 "[ . 1 . 2]" 1
501 2 14 GLN H 2 15 ASP H 3.380 . 3.380 2.773 2.701 2.835 . 0 0 "[ . 1 . 2]" 1
502 4 14 GLN H 4 15 ASP H 3.380 . 3.380 2.774 2.672 2.854 . 0 0 "[ . 1 . 2]" 1
503 2 11 ALA H 2 14 GLN H 4.660 . 4.660 4.604 4.535 4.684 0.024 4 0 "[ . 1 . 2]" 1
504 4 11 ALA H 4 14 GLN H 4.660 . 4.660 4.610 4.531 4.676 0.016 17 0 "[ . 1 . 2]" 1
505 2 10 PHE HA 2 14 GLN H 4.620 . 4.620 4.014 3.848 4.136 . 0 0 "[ . 1 . 2]" 1
506 4 10 PHE HA 4 14 GLN H 4.620 . 4.620 4.020 3.841 4.129 . 0 0 "[ . 1 . 2]" 1
507 2 11 ALA HA 2 14 GLN H 4.200 . 4.200 3.281 3.142 3.386 . 0 0 "[ . 1 . 2]" 1
508 4 11 ALA HA 4 14 GLN H 4.200 . 4.200 3.295 3.132 3.375 . 0 0 "[ . 1 . 2]" 1
509 2 14 GLN H 2 15 ASP HB3 5.090 . 5.090 5.061 4.905 5.137 0.047 18 0 "[ . 1 . 2]" 1
510 4 14 GLN H 4 15 ASP HB3 5.090 . 5.090 5.057 4.853 5.120 0.030 19 0 "[ . 1 . 2]" 1
511 2 14 GLN H 2 14 GLN HB2 3.250 . 3.250 2.205 2.146 2.280 . 0 0 "[ . 1 . 2]" 1
512 4 14 GLN H 4 14 GLN HB2 3.250 . 3.250 2.202 2.129 2.252 . 0 0 "[ . 1 . 2]" 1
513 2 13 LEU HB2 2 14 GLN H 3.340 . 3.340 2.605 2.398 2.860 . 0 0 "[ . 1 . 2]" 1
514 4 13 LEU HB2 4 14 GLN H 3.340 . 3.340 2.606 2.401 2.885 . 0 0 "[ . 1 . 2]" 1
515 2 11 ALA MB 2 14 GLN H 4.910 . 4.910 4.553 4.447 4.622 . 0 0 "[ . 1 . 2]" 1
516 4 11 ALA MB 4 14 GLN H 4.910 . 4.910 4.558 4.406 4.634 . 0 0 "[ . 1 . 2]" 1
517 2 16 GLN HE21 2 17 LEU HA 4.810 . 4.810 4.110 2.036 4.887 0.077 17 0 "[ . 1 . 2]" 1
518 4 16 GLN HE21 4 17 LEU HA 4.810 . 4.810 4.089 2.082 4.883 0.073 3 0 "[ . 1 . 2]" 1
519 2 16 GLN HE21 2 20 ARG HG2 4.800 . 4.800 3.656 2.488 4.593 . 0 0 "[ . 1 . 2]" 1
520 4 16 GLN HE21 4 20 ARG HG2 4.800 . 4.800 3.633 2.467 4.499 . 0 0 "[ . 1 . 2]" 1
521 2 14 GLN H 2 14 GLN HG2 3.540 . 3.540 2.637 2.493 2.777 . 0 0 "[ . 1 . 2]" 1
522 4 14 GLN H 4 14 GLN HG2 3.540 . 3.540 2.644 2.476 2.806 . 0 0 "[ . 1 . 2]" 1
523 2 14 GLN H 2 14 GLN HB3 3.480 . 3.480 3.513 3.494 3.534 0.054 20 0 "[ . 1 . 2]" 1
524 4 14 GLN H 4 14 GLN HB3 3.480 . 3.480 3.512 3.492 3.526 0.046 18 0 "[ . 1 . 2]" 1
525 2 13 LEU HB3 2 14 GLN H 3.390 . 3.390 3.333 2.981 3.446 0.056 18 0 "[ . 1 . 2]" 1
526 4 13 LEU HB3 4 14 GLN H 3.390 . 3.390 3.346 3.083 3.441 0.051 5 0 "[ . 1 . 2]" 1
527 2 11 ALA HA 2 15 ASP H 4.320 . 4.320 3.538 3.419 3.640 . 0 0 "[ . 1 . 2]" 1
528 4 11 ALA HA 4 15 ASP H 4.320 . 4.320 3.554 3.421 3.654 . 0 0 "[ . 1 . 2]" 1
529 2 15 ASP HB3 2 16 GLN H 3.320 . 3.320 2.580 2.389 2.759 . 0 0 "[ . 1 . 2]" 1
530 4 15 ASP HB3 4 16 GLN H 3.320 . 3.320 2.576 2.433 2.773 . 0 0 "[ . 1 . 2]" 1
531 2 14 GLN HB2 2 15 ASP H 3.590 . 3.590 2.733 2.610 2.939 . 0 0 "[ . 1 . 2]" 1
532 4 14 GLN HB2 4 15 ASP H 3.590 . 3.590 2.732 2.594 2.893 . 0 0 "[ . 1 . 2]" 1
533 2 15 ASP H 2 15 ASP HB3 3.140 . 3.140 2.620 2.515 2.687 . 0 0 "[ . 1 . 2]" 1
534 4 15 ASP H 4 15 ASP HB3 3.140 . 3.140 2.619 2.515 2.691 . 0 0 "[ . 1 . 2]" 1
535 2 15 ASP H 2 15 ASP HB2 3.290 . 3.290 2.633 2.514 2.751 . 0 0 "[ . 1 . 2]" 1
536 4 15 ASP H 4 15 ASP HB2 3.290 . 3.290 2.629 2.528 2.701 . 0 0 "[ . 1 . 2]" 1
537 2 14 GLN HB3 2 15 ASP H 3.520 . 3.520 3.301 3.206 3.400 . 0 0 "[ . 1 . 2]" 1
538 4 14 GLN HB3 4 15 ASP H 3.520 . 3.520 3.291 3.185 3.365 . 0 0 "[ . 1 . 2]" 1
539 2 16 GLN H 2 17 LEU H 2.990 . 2.990 2.558 2.409 2.668 . 0 0 "[ . 1 . 2]" 1
540 4 16 GLN H 4 17 LEU H 2.990 . 2.990 2.563 2.380 2.706 . 0 0 "[ . 1 . 2]" 1
541 2 12 ARG HA 2 15 ASP H 4.530 . 4.530 3.495 3.351 3.639 . 0 0 "[ . 1 . 2]" 1
542 4 12 ARG HA 4 15 ASP H 4.530 . 4.530 3.482 3.288 3.653 . 0 0 "[ . 1 . 2]" 1
543 2 12 ARG HA 2 16 GLN H 4.960 . 4.960 3.829 3.620 3.933 . 0 0 "[ . 1 . 2]" 1
544 4 12 ARG HA 4 16 GLN H 4.960 . 4.960 3.825 3.607 3.973 . 0 0 "[ . 1 . 2]" 1
545 2 15 ASP H 2 17 LEU HB2 5.050 . 5.050 4.753 4.624 4.861 . 0 0 "[ . 1 . 2]" 1
546 4 15 ASP H 4 17 LEU HB2 5.050 . 5.050 4.751 4.604 4.871 . 0 0 "[ . 1 . 2]" 1
547 2 16 GLN H 2 17 LEU HB2 5.310 . 5.310 4.374 4.208 4.542 . 0 0 "[ . 1 . 2]" 1
548 4 16 GLN H 4 17 LEU HB2 5.310 . 5.310 4.381 4.193 4.561 . 0 0 "[ . 1 . 2]" 1
549 2 11 ALA MB 2 15 ASP H 4.300 . 4.300 4.110 4.026 4.177 . 0 0 "[ . 1 . 2]" 1
550 4 11 ALA MB 4 15 ASP H 4.300 . 4.300 4.117 4.053 4.196 . 0 0 "[ . 1 . 2]" 1
551 2 16 GLN H 2 16 GLN HB3 2.920 . 2.920 2.577 2.458 2.678 . 0 0 "[ . 1 . 2]" 1
552 4 16 GLN H 4 16 GLN HB3 2.920 . 2.920 2.593 2.465 2.674 . 0 0 "[ . 1 . 2]" 1
553 2 15 ASP HA 2 17 LEU H 4.600 . 4.600 4.224 4.120 4.365 . 0 0 "[ . 1 . 2]" 1
554 4 15 ASP HA 4 17 LEU H 4.600 . 4.600 4.232 4.100 4.357 . 0 0 "[ . 1 . 2]" 1
555 2 15 ASP HB3 2 17 LEU H 4.850 . 4.850 4.844 4.722 4.885 0.035 7 0 "[ . 1 . 2]" 1
556 4 15 ASP HB3 4 17 LEU H 4.850 . 4.850 4.846 4.762 4.895 0.045 7 0 "[ . 1 . 2]" 1
557 2 17 LEU H 2 18 ASP HB2 5.500 . 5.500 5.360 5.133 5.512 0.012 19 0 "[ . 1 . 2]" 1
558 4 17 LEU H 4 18 ASP HB2 5.500 . 5.500 5.365 5.107 5.534 0.034 19 0 "[ . 1 . 2]" 1
559 2 17 LEU H 2 18 ASP HB3 5.500 . 5.500 5.085 4.817 5.336 . 0 0 "[ . 1 . 2]" 1
560 4 17 LEU H 4 18 ASP HB3 5.500 . 5.500 5.101 4.855 5.345 . 0 0 "[ . 1 . 2]" 1
561 2 16 GLN HG3 2 17 LEU H 4.420 . 4.420 2.624 2.217 3.080 . 0 0 "[ . 1 . 2]" 1
562 4 16 GLN HG3 4 17 LEU H 4.420 . 4.420 2.601 2.201 3.065 . 0 0 "[ . 1 . 2]" 1
563 2 16 GLN HB3 2 17 LEU H 4.230 . 4.230 4.093 4.035 4.147 . 0 0 "[ . 1 . 2]" 1
564 4 16 GLN HB3 4 17 LEU H 4.230 . 4.230 4.106 4.022 4.161 . 0 0 "[ . 1 . 2]" 1
565 2 16 GLN HB2 2 17 LEU H 4.630 . 4.630 4.107 3.978 4.245 . 0 0 "[ . 1 . 2]" 1
566 4 16 GLN HB2 4 17 LEU H 4.630 . 4.630 4.104 3.968 4.259 . 0 0 "[ . 1 . 2]" 1
567 2 14 GLN HB3 2 17 LEU H 5.210 . 5.210 5.086 4.976 5.213 0.003 16 0 "[ . 1 . 2]" 1
568 4 14 GLN HB3 4 17 LEU H 5.210 . 5.210 5.093 4.998 5.220 0.010 16 0 "[ . 1 . 2]" 1
569 2 17 LEU H 2 20 ARG HB2 5.310 . 5.310 5.212 4.957 5.395 0.085 14 0 "[ . 1 . 2]" 1
570 4 17 LEU H 4 20 ARG HB2 5.310 . 5.310 5.213 4.995 5.386 0.076 14 0 "[ . 1 . 2]" 1
571 2 17 LEU H 2 17 LEU HB2 3.020 . 3.020 2.063 1.990 2.139 . 0 0 "[ . 1 . 2]" 1
572 4 17 LEU H 4 17 LEU HB2 3.020 . 3.020 2.066 2.001 2.133 . 0 0 "[ . 1 . 2]" 1
573 2 17 LEU H 2 17 LEU HB3 3.590 . 3.590 3.192 3.004 3.400 . 0 0 "[ . 1 . 2]" 1
574 4 17 LEU H 4 17 LEU HB3 3.590 . 3.590 3.195 2.990 3.405 . 0 0 "[ . 1 . 2]" 1
575 2 15 ASP H 2 18 ASP H 5.230 . 5.230 4.908 4.849 4.996 . 0 0 "[ . 1 . 2]" 1
576 4 15 ASP H 4 18 ASP H 5.230 . 5.230 4.908 4.827 5.003 . 0 0 "[ . 1 . 2]" 1
577 2 18 ASP H 2 19 HIS HA 4.940 . 4.940 5.008 4.967 5.042 0.102 7 0 "[ . 1 . 2]" 1
578 4 18 ASP H 4 19 HIS HA 4.940 . 4.940 5.008 4.969 5.042 0.102 7 0 "[ . 1 . 2]" 1
579 2 14 GLN HA 2 18 ASP H 4.880 . 4.880 4.316 4.218 4.398 . 0 0 "[ . 1 . 2]" 1
580 4 14 GLN HA 4 18 ASP H 4.880 . 4.880 4.317 4.219 4.421 . 0 0 "[ . 1 . 2]" 1
581 2 16 GLN HA 2 18 ASP H 5.070 . 5.070 3.813 3.696 3.909 . 0 0 "[ . 1 . 2]" 1
582 4 16 GLN HA 4 18 ASP H 5.070 . 5.070 3.809 3.714 3.902 . 0 0 "[ . 1 . 2]" 1
583 2 16 GLN HB3 2 18 ASP H 5.500 . 5.500 5.598 5.555 5.638 0.138 19 0 "[ . 1 . 2]" 1
584 4 16 GLN HB3 4 18 ASP H 5.500 . 5.500 5.599 5.549 5.643 0.143 19 0 "[ . 1 . 2]" 1
585 2 16 GLN HB2 2 18 ASP H 5.500 . 5.500 5.427 5.323 5.524 0.024 19 0 "[ . 1 . 2]" 1
586 4 16 GLN HB2 4 18 ASP H 5.500 . 5.500 5.422 5.323 5.526 0.026 5 0 "[ . 1 . 2]" 1
587 2 17 LEU HB2 2 18 ASP H 3.530 . 3.530 3.317 3.157 3.419 . 0 0 "[ . 1 . 2]" 1
588 4 17 LEU HB2 4 18 ASP H 3.530 . 3.530 3.317 3.168 3.438 . 0 0 "[ . 1 . 2]" 1
589 2 17 LEU HB3 2 18 ASP H 3.590 . 3.590 3.040 2.804 3.433 . 0 0 "[ . 1 . 2]" 1
590 4 17 LEU HB3 4 18 ASP H 3.590 . 3.590 3.038 2.769 3.427 . 0 0 "[ . 1 . 2]" 1
591 2 17 LEU H 2 17 LEU MD1 4.190 . 4.190 3.052 2.735 3.295 . 0 0 "[ . 1 . 2]" 1
592 4 17 LEU H 4 17 LEU MD1 4.190 . 4.190 3.051 2.703 3.305 . 0 0 "[ . 1 . 2]" 1
593 2 18 ASP H 2 18 ASP HB2 3.090 . 3.090 2.927 2.801 3.052 . 0 0 "[ . 1 . 2]" 1
594 4 18 ASP H 4 18 ASP HB2 3.090 . 3.090 2.930 2.772 3.075 . 0 0 "[ . 1 . 2]" 1
595 2 18 ASP H 2 18 ASP HB3 3.300 . 3.300 2.622 2.520 2.791 . 0 0 "[ . 1 . 2]" 1
596 4 18 ASP H 4 18 ASP HB3 3.300 . 3.300 2.631 2.498 2.829 . 0 0 "[ . 1 . 2]" 1
597 2 19 HIS H 2 19 HIS HB3 3.760 . 3.760 3.587 3.455 3.665 . 0 0 "[ . 1 . 2]" 1
598 4 19 HIS H 4 19 HIS HB3 3.760 . 3.760 3.583 3.433 3.679 . 0 0 "[ . 1 . 2]" 1
599 2 19 HIS H 2 19 HIS HB2 3.760 . 3.760 2.357 2.221 2.451 . 0 0 "[ . 1 . 2]" 1
600 4 19 HIS H 4 19 HIS HB2 3.760 . 3.760 2.351 2.221 2.458 . 0 0 "[ . 1 . 2]" 1
601 2 18 ASP HB3 2 19 HIS H 3.740 . 3.740 2.597 2.298 2.855 . 0 0 "[ . 1 . 2]" 1
602 4 18 ASP HB3 4 19 HIS H 3.740 . 3.740 2.582 2.269 2.809 . 0 0 "[ . 1 . 2]" 1
603 2 19 HIS HA 2 20 ARG H 2.820 . 2.820 2.934 2.889 2.986 0.166 8 0 "[ . 1 . 2]" 1
604 4 19 HIS HA 4 20 ARG H 2.820 . 2.820 2.937 2.882 2.984 0.164 11 0 "[ . 1 . 2]" 1
605 1 35 SER HA 2 20 ARG H 4.710 . 4.710 4.616 4.329 4.807 0.097 4 0 "[ . 1 . 2]" 1
606 3 35 SER HA 4 20 ARG H 4.710 . 4.710 4.623 4.363 4.839 0.129 4 0 "[ . 1 . 2]" 1
607 2 20 ARG H 2 20 ARG QD 4.740 . 4.740 4.467 4.094 4.597 . 0 0 "[ . 1 . 2]" 1
608 4 20 ARG H 4 20 ARG QD 4.740 . 4.740 4.463 4.089 4.639 . 0 0 "[ . 1 . 2]" 1
609 2 18 ASP HB3 2 20 ARG H 5.430 . 5.430 5.027 4.765 5.176 . 0 0 "[ . 1 . 2]" 1
610 4 18 ASP HB3 4 20 ARG H 5.430 . 5.430 5.013 4.735 5.143 . 0 0 "[ . 1 . 2]" 1
611 2 20 ARG H 2 20 ARG HB2 3.040 . 3.040 2.134 1.980 2.228 . 0 0 "[ . 1 . 2]" 1
612 4 20 ARG H 4 20 ARG HB2 3.040 . 3.040 2.145 1.988 2.224 . 0 0 "[ . 1 . 2]" 1
613 2 20 ARG H 2 20 ARG HG2 4.340 . 4.340 4.349 4.283 4.383 0.043 17 0 "[ . 1 . 2]" 1
614 4 20 ARG H 4 20 ARG HG2 4.340 . 4.340 4.354 4.274 4.399 0.059 18 0 "[ . 1 . 2]" 1
615 2 20 ARG H 2 20 ARG HG3 3.980 . 3.980 3.753 3.305 3.968 . 0 0 "[ . 1 . 2]" 1
616 4 20 ARG H 4 20 ARG HG3 3.980 . 3.980 3.744 3.336 3.958 . 0 0 "[ . 1 . 2]" 1
617 2 20 ARG H 2 21 GLY H 3.630 . 3.630 2.880 2.700 2.998 . 0 0 "[ . 1 . 2]" 1
618 4 20 ARG H 4 21 GLY H 3.630 . 3.630 2.872 2.747 2.964 . 0 0 "[ . 1 . 2]" 1
619 2 19 HIS HA 2 21 GLY H 3.580 . 3.580 3.352 3.089 3.590 0.010 4 0 "[ . 1 . 2]" 1
620 4 19 HIS HA 4 21 GLY H 3.580 . 3.580 3.361 3.082 3.593 0.013 17 0 "[ . 1 . 2]" 1
621 1 35 SER HA 2 21 GLY H 4.570 . 4.570 2.682 2.467 3.005 . 0 0 "[ . 1 . 2]" 1
622 3 35 SER HA 4 21 GLY H 4.570 . 4.570 2.708 2.523 3.048 . 0 0 "[ . 1 . 2]" 1
623 2 20 ARG HB2 2 21 GLY H 4.210 . 4.210 3.556 3.246 3.798 . 0 0 "[ . 1 . 2]" 1
624 4 20 ARG HB2 4 21 GLY H 4.210 . 4.210 3.547 3.125 3.792 . 0 0 "[ . 1 . 2]" 1
625 2 20 ARG HB3 2 21 GLY H 4.410 . 4.410 3.077 2.689 3.399 . 0 0 "[ . 1 . 2]" 1
626 4 20 ARG HB3 4 21 GLY H 4.410 . 4.410 3.077 2.591 3.390 . 0 0 "[ . 1 . 2]" 1
627 2 20 ARG HG2 2 21 GLY H 5.080 . 5.080 4.874 4.677 5.092 0.012 19 0 "[ . 1 . 2]" 1
628 4 20 ARG HG2 4 21 GLY H 5.080 . 5.080 4.873 4.694 5.085 0.005 19 0 "[ . 1 . 2]" 1
629 2 22 ASP H 2 23 HIS H 3.870 . 3.870 3.866 3.633 3.964 0.094 3 0 "[ . 1 . 2]" 1
630 4 22 ASP H 4 23 HIS H 3.870 . 3.870 3.866 3.723 3.940 0.070 15 0 "[ . 1 . 2]" 1
631 2 22 ASP H 2 23 HIS HA 4.640 . 4.640 4.650 4.441 4.738 0.098 13 0 "[ . 1 . 2]" 1
632 4 22 ASP H 4 23 HIS HA 4.640 . 4.640 4.629 4.375 4.729 0.089 15 0 "[ . 1 . 2]" 1
633 2 22 ASP H 2 22 ASP HB2 3.860 . 3.860 2.811 2.581 3.073 . 0 0 "[ . 1 . 2]" 1
634 4 22 ASP H 4 22 ASP HB2 3.860 . 3.860 2.840 2.576 3.161 . 0 0 "[ . 1 . 2]" 1
635 2 22 ASP HA 2 23 HIS H 3.320 . 3.320 2.134 2.020 2.249 . 0 0 "[ . 1 . 2]" 1
636 4 22 ASP HA 4 23 HIS H 3.320 . 3.320 2.127 2.010 2.209 . 0 0 "[ . 1 . 2]" 1
637 2 21 GLY HA2 2 23 HIS H 5.500 . 5.500 4.964 4.560 5.594 0.094 17 0 "[ . 1 . 2]" 1
638 4 21 GLY HA2 4 23 HIS H 5.500 . 5.500 4.984 4.508 5.596 0.096 17 0 "[ . 1 . 2]" 1
639 2 23 HIS H 2 23 HIS HB3 3.970 . 3.970 2.987 2.721 3.275 . 0 0 "[ . 1 . 2]" 1
640 4 23 HIS H 4 23 HIS HB3 3.970 . 3.970 2.997 2.661 3.279 . 0 0 "[ . 1 . 2]" 1
641 2 22 ASP HB3 2 23 HIS H 4.820 . 4.820 4.328 3.673 4.432 . 0 0 "[ . 1 . 2]" 1
642 4 22 ASP HB3 4 23 HIS H 4.820 . 4.820 4.338 3.803 4.438 . 0 0 "[ . 1 . 2]" 1
643 2 13 LEU HA 2 16 GLN HE22 5.350 . 5.350 4.911 4.646 5.351 0.001 16 0 "[ . 1 . 2]" 1
644 4 13 LEU HA 4 16 GLN HE22 5.350 . 5.350 4.930 4.613 5.359 0.009 15 0 "[ . 1 . 2]" 1
645 2 16 GLN HE21 2 20 ARG QD 5.490 . 5.490 3.470 2.939 4.279 . 0 0 "[ . 1 . 2]" 1
646 4 16 GLN HE21 4 20 ARG QD 5.490 . 5.490 3.407 1.934 4.211 . 0 0 "[ . 1 . 2]" 1
647 2 14 GLN HE21 2 17 LEU H 5.500 . 5.500 4.974 4.808 5.156 . 0 0 "[ . 1 . 2]" 1
648 4 14 GLN HE21 4 17 LEU H 5.500 . 5.500 4.963 4.646 5.133 . 0 0 "[ . 1 . 2]" 1
649 2 14 GLN HE21 2 17 LEU HB2 5.500 . 5.500 3.538 3.099 4.078 . 0 0 "[ . 1 . 2]" 1
650 4 14 GLN HE21 4 17 LEU HB2 5.500 . 5.500 3.499 3.020 4.098 . 0 0 "[ . 1 . 2]" 1
651 2 14 GLN HE22 2 17 LEU HB2 5.500 . 5.500 3.748 3.547 3.985 . 0 0 "[ . 1 . 2]" 1
652 4 14 GLN HE22 4 17 LEU HB2 5.500 . 5.500 3.737 3.548 3.997 . 0 0 "[ . 1 . 2]" 1
653 2 14 GLN HE22 2 17 LEU H 5.500 . 5.500 5.553 5.515 5.616 0.116 11 0 "[ . 1 . 2]" 1
654 4 14 GLN HE22 4 17 LEU H 5.500 . 5.500 5.551 5.505 5.600 0.100 14 0 "[ . 1 . 2]" 1
655 2 5 ASN H 2 5 ASN HD21 5.500 . 5.500 4.395 4.323 4.507 . 0 0 "[ . 1 . 2]" 1
656 4 5 ASN H 4 5 ASN HD21 5.500 . 5.500 4.394 4.319 4.508 . 0 0 "[ . 1 . 2]" 1
657 2 5 ASN HD21 2 9 GLU H 5.500 . 5.500 4.470 3.636 4.864 . 0 0 "[ . 1 . 2]" 1
658 4 5 ASN HD21 4 9 GLU H 5.500 . 5.500 4.565 3.679 4.867 . 0 0 "[ . 1 . 2]" 1
659 2 5 ASN HD21 2 8 ALA MB 5.280 . 5.280 3.376 3.054 3.569 . 0 0 "[ . 1 . 2]" 1
660 4 5 ASN HD21 4 8 ALA MB 5.280 . 5.280 3.390 3.128 3.597 . 0 0 "[ . 1 . 2]" 1
661 2 5 ASN H 2 5 ASN HD22 5.500 . 5.500 5.579 5.558 5.617 0.117 7 0 "[ . 1 . 2]" 1
662 4 5 ASN H 4 5 ASN HD22 5.500 . 5.500 5.575 5.548 5.614 0.114 9 0 "[ . 1 . 2]" 1
663 2 5 ASN HD22 2 9 GLU H 5.500 . 5.500 5.329 5.064 5.521 0.021 5 0 "[ . 1 . 2]" 1
664 4 5 ASN HD22 4 9 GLU H 5.500 . 5.500 5.365 5.150 5.511 0.011 5 0 "[ . 1 . 2]" 1
665 2 3 GLU H 2 6 GLU H 5.500 . 5.500 4.905 4.782 5.051 . 0 0 "[ . 1 . 2]" 1
666 4 3 GLU H 4 6 GLU H 5.500 . 5.500 4.912 4.781 5.043 . 0 0 "[ . 1 . 2]" 1
667 2 5 ASN HA 2 7 LEU H 4.900 . 4.900 4.672 4.575 4.730 . 0 0 "[ . 1 . 2]" 1
668 4 5 ASN HA 4 7 LEU H 4.900 . 4.900 4.670 4.573 4.727 . 0 0 "[ . 1 . 2]" 1
669 2 9 GLU HG2 2 13 LEU H 5.120 . 5.120 4.632 4.462 4.788 . 0 0 "[ . 1 . 2]" 1
670 4 9 GLU HG2 4 13 LEU H 5.120 . 5.120 4.632 4.434 4.787 . 0 0 "[ . 1 . 2]" 1
671 2 20 ARG QD 2 21 GLY H 5.340 . 5.340 4.986 4.497 5.361 0.021 19 0 "[ . 1 . 2]" 1
672 4 20 ARG QD 4 21 GLY H 5.340 . 5.340 4.987 4.578 5.431 0.091 5 0 "[ . 1 . 2]" 1
673 2 12 ARG H 2 12 ARG HG3 4.140 . 4.140 3.520 3.155 3.633 . 0 0 "[ . 1 . 2]" 1
674 4 12 ARG H 4 12 ARG HG3 4.140 . 4.140 3.518 3.201 3.624 . 0 0 "[ . 1 . 2]" 1
675 1 4 MET HA 1 5 ALA H 3.490 . 3.490 2.430 2.130 3.405 . 0 0 "[ . 1 . 2]" 1
676 3 4 MET HA 3 5 ALA H 3.490 . 3.490 2.431 2.035 3.417 . 0 0 "[ . 1 . 2]" 1
677 1 5 ALA H 1 5 ALA MB 3.410 . 3.410 2.404 2.229 2.795 . 0 0 "[ . 1 . 2]" 1
678 3 5 ALA H 3 5 ALA MB 3.410 . 3.410 2.387 2.221 2.721 . 0 0 "[ . 1 . 2]" 1
679 1 46 LEU H 1 48 LEU H 5.080 . 5.080 4.183 4.096 4.307 . 0 0 "[ . 1 . 2]" 1
680 3 46 LEU H 3 48 LEU H 5.080 . 5.080 4.162 4.072 4.274 . 0 0 "[ . 1 . 2]" 1
681 1 48 LEU H 1 50 HIS H 4.390 . 4.390 4.220 4.119 4.318 . 0 0 "[ . 1 . 2]" 1
682 3 48 LEU H 3 50 HIS H 4.390 . 4.390 4.212 4.102 4.307 . 0 0 "[ . 1 . 2]" 1
683 1 47 GLN HA 1 48 LEU H 3.560 . 3.560 3.502 3.477 3.547 . 0 0 "[ . 1 . 2]" 1
684 3 47 GLN HA 3 48 LEU H 3.560 . 3.560 3.498 3.474 3.529 . 0 0 "[ . 1 . 2]" 1
685 1 48 LEU H 1 48 LEU HB2 3.700 . 3.700 2.249 2.126 2.609 . 0 0 "[ . 1 . 2]" 1
686 3 48 LEU H 3 48 LEU HB2 3.700 . 3.700 2.250 2.132 2.600 . 0 0 "[ . 1 . 2]" 1
687 1 48 LEU H 1 49 THR MG 5.500 . 5.500 4.506 4.281 4.622 . 0 0 "[ . 1 . 2]" 1
688 3 48 LEU H 3 49 THR MG 5.500 . 5.500 4.507 4.285 4.617 . 0 0 "[ . 1 . 2]" 1
689 1 46 LEU MD1 1 48 LEU H 5.030 . 5.030 5.078 5.057 5.101 0.071 8 0 "[ . 1 . 2]" 1
690 3 46 LEU MD1 3 48 LEU H 5.030 . 5.030 5.079 5.054 5.102 0.072 8 0 "[ . 1 . 2]" 1
691 1 5 ALA MB 1 6 SER H 4.290 . 4.290 2.967 1.882 3.597 . 0 0 "[ . 1 . 2]" 1
692 3 5 ALA MB 3 6 SER H 4.290 . 4.290 2.940 1.859 3.587 . 0 0 "[ . 1 . 2]" 1
693 1 8 ARG H 1 9 GLN QB 5.470 . 5.470 4.360 3.995 5.094 . 0 0 "[ . 1 . 2]" 1
694 3 8 ARG H 3 9 GLN QB 5.470 . 5.470 4.360 4.004 5.106 . 0 0 "[ . 1 . 2]" 1
695 1 9 GLN H 1 10 LYS H 3.650 . 3.650 2.568 1.818 2.848 . 0 0 "[ . 1 . 2]" 1
696 3 9 GLN H 3 10 LYS H 3.650 . 3.650 2.559 1.859 2.855 . 0 0 "[ . 1 . 2]" 1
697 1 7 SER HA 1 9 GLN H 4.410 . 4.410 3.257 2.759 3.655 . 0 0 "[ . 1 . 2]" 1
698 3 7 SER HA 3 9 GLN H 4.410 . 4.410 3.251 2.736 3.604 . 0 0 "[ . 1 . 2]" 1
699 1 9 GLN H 1 9 GLN QG 3.800 . 3.800 2.563 1.671 3.336 . 0 0 "[ . 1 . 2]" 1
700 3 9 GLN H 3 9 GLN QG 3.800 . 3.800 2.643 1.664 3.415 . 0 0 "[ . 1 . 2]" 1
701 1 7 SER HA 1 10 LYS H 4.910 . 4.910 4.302 3.642 4.922 0.012 14 0 "[ . 1 . 2]" 1
702 3 7 SER HA 3 10 LYS H 4.910 . 4.910 4.305 3.564 4.920 0.010 14 0 "[ . 1 . 2]" 1
703 1 10 LYS H 1 10 LYS HA 2.920 . 2.920 2.854 2.815 2.894 . 0 0 "[ . 1 . 2]" 1
704 3 10 LYS H 3 10 LYS HA 2.920 . 2.920 2.856 2.797 2.888 . 0 0 "[ . 1 . 2]" 1
705 1 9 GLN QG 1 10 LYS H 4.050 . 4.050 3.705 3.173 4.056 0.006 15 0 "[ . 1 . 2]" 1
706 3 9 GLN QG 3 10 LYS H 4.050 . 4.050 3.736 3.289 4.076 0.026 15 0 "[ . 1 . 2]" 1
707 1 9 GLN QB 1 10 LYS H 4.220 . 4.220 3.696 2.901 3.997 . 0 0 "[ . 1 . 2]" 1
708 3 9 GLN QB 3 10 LYS H 4.220 . 4.220 3.711 2.920 3.999 . 0 0 "[ . 1 . 2]" 1
709 1 10 LYS H 1 10 LYS QB 2.890 . 2.890 2.591 2.451 2.815 . 0 0 "[ . 1 . 2]" 1
710 3 10 LYS H 3 10 LYS QB 2.890 . 2.890 2.598 2.398 2.789 . 0 0 "[ . 1 . 2]" 1
711 1 11 TYR H 1 12 ALA H 3.690 . 3.690 2.638 2.384 2.820 . 0 0 "[ . 1 . 2]" 1
712 3 11 TYR H 3 12 ALA H 3.690 . 3.690 2.653 2.423 2.833 . 0 0 "[ . 1 . 2]" 1
713 1 11 TYR HD1 1 12 ALA H 4.730 . 4.730 3.403 2.988 3.672 . 0 0 "[ . 1 . 2]" 1
714 3 11 TYR HD1 3 12 ALA H 4.730 . 4.730 3.392 2.926 3.683 . 0 0 "[ . 1 . 2]" 1
715 1 11 TYR HB2 1 12 ALA H 3.990 . 3.990 3.967 3.898 4.019 0.029 12 0 "[ . 1 . 2]" 1
716 3 11 TYR HB2 3 12 ALA H 4.350 . 4.350 3.993 3.924 4.079 . 0 0 "[ . 1 . 2]" 1
717 1 11 TYR HB3 1 12 ALA H 4.350 . 4.350 4.130 4.050 4.250 . 0 0 "[ . 1 . 2]" 1
718 3 11 TYR HB3 3 12 ALA H 4.350 . 4.350 4.152 4.068 4.265 . 0 0 "[ . 1 . 2]" 1
719 1 12 ALA H 1 13 GLU QG 4.530 . 4.530 4.223 3.950 4.556 0.026 18 0 "[ . 1 . 2]" 1
720 3 12 ALA H 3 13 GLU QG 4.530 . 4.530 4.231 4.055 4.550 0.020 18 0 "[ . 1 . 2]" 1
721 3 12 ALA H 3 15 GLU HB2 5.500 . 5.500 5.066 4.522 5.456 . 0 0 "[ . 1 . 2]" 1
722 1 10 LYS QB 1 12 ALA H 4.790 . 4.790 4.704 4.640 4.790 . 20 0 "[ . 1 . 2]" 1
723 3 10 LYS QB 3 12 ALA H 4.790 . 4.790 4.697 4.611 4.788 . 0 0 "[ . 1 . 2]" 1
724 1 12 ALA H 1 12 ALA MB 2.990 . 2.990 2.214 2.190 2.227 . 0 0 "[ . 1 . 2]" 1
725 3 12 ALA H 3 12 ALA MB 2.990 . 2.990 2.209 2.189 2.229 . 0 0 "[ . 1 . 2]" 1
726 1 11 TYR H 1 11 TYR HD1 4.280 . 4.280 4.318 4.007 4.398 0.118 2 0 "[ . 1 . 2]" 1
727 3 11 TYR H 3 11 TYR HD1 4.280 . 4.280 4.319 3.995 4.399 0.119 2 0 "[ . 1 . 2]" 1
728 1 11 TYR H 1 11 TYR HE2 4.780 . 4.780 4.367 4.189 4.536 . 0 0 "[ . 1 . 2]" 1
729 3 11 TYR H 3 11 TYR HE2 4.780 . 4.780 4.405 4.242 4.524 . 0 0 "[ . 1 . 2]" 1
730 1 11 TYR H 1 11 TYR HB2 3.590 . 3.590 3.584 3.532 3.620 0.030 15 0 "[ . 1 . 2]" 1
731 3 11 TYR H 3 11 TYR HB2 3.590 . 3.590 3.584 3.526 3.613 0.023 5 0 "[ . 1 . 2]" 1
732 1 11 TYR H 1 11 TYR HB3 3.280 . 3.280 2.574 2.411 2.736 . 0 0 "[ . 1 . 2]" 1
733 3 11 TYR H 3 11 TYR HB3 3.590 . 3.590 2.574 2.430 2.756 . 0 0 "[ . 1 . 2]" 1
734 1 12 ALA H 1 13 GLU H 3.850 . 3.850 2.920 2.743 3.005 . 0 0 "[ . 1 . 2]" 1
735 3 12 ALA H 3 13 GLU H 3.850 . 3.850 2.917 2.782 2.995 . 0 0 "[ . 1 . 2]" 1
736 1 13 GLU H 1 14 GLU H 4.050 . 4.050 2.682 2.607 2.878 . 0 0 "[ . 1 . 2]" 1
737 3 13 GLU H 3 14 GLU H 4.050 . 4.050 2.665 2.593 2.866 . 0 0 "[ . 1 . 2]" 1
738 1 11 TYR H 1 13 GLU H 5.130 . 5.130 4.700 4.442 4.905 . 0 0 "[ . 1 . 2]" 1
739 3 11 TYR H 3 13 GLU H 5.130 . 5.130 4.725 4.535 4.927 . 0 0 "[ . 1 . 2]" 1
740 1 11 TYR HA 1 13 GLU H 5.220 . 5.220 4.086 3.839 4.550 . 0 0 "[ . 1 . 2]" 1
741 3 11 TYR HA 3 13 GLU H 5.220 . 5.220 4.139 3.881 4.666 . 0 0 "[ . 1 . 2]" 1
742 1 13 GLU H 1 13 GLU QG 3.830 . 3.830 2.148 1.919 2.587 . 0 0 "[ . 1 . 2]" 1
743 3 13 GLU H 3 13 GLU QG 3.830 . 3.830 2.159 1.965 2.605 . 0 0 "[ . 1 . 2]" 1
744 1 13 GLU H 1 13 GLU QB 3.260 . 3.260 2.598 2.496 2.699 . 0 0 "[ . 1 . 2]" 1
745 3 13 GLU H 3 13 GLU QB 3.260 . 3.260 2.593 2.526 2.702 . 0 0 "[ . 1 . 2]" 1
746 1 12 ALA MB 1 13 GLU H 3.730 . 3.730 2.439 2.201 2.658 . 0 0 "[ . 1 . 2]" 1
747 3 12 ALA MB 3 13 GLU H 3.730 . 3.730 2.440 2.183 2.646 . 0 0 "[ . 1 . 2]" 1
748 1 13 GLU H 1 15 GLU H 4.780 . 4.780 4.210 4.056 4.349 . 0 0 "[ . 1 . 2]" 1
749 3 13 GLU H 3 15 GLU H 4.780 . 4.780 4.201 3.972 4.363 . 0 0 "[ . 1 . 2]" 1
750 1 11 TYR HB2 1 15 GLU H 4.700 . 4.700 4.279 4.008 4.554 . 0 0 "[ . 1 . 2]" 1
751 1 12 ALA MB 1 15 GLU H 4.680 . 4.680 4.676 4.501 4.752 0.072 6 0 "[ . 1 . 2]" 1
752 3 12 ALA MB 3 15 GLU H 4.680 . 4.680 4.672 4.462 4.735 0.055 4 0 "[ . 1 . 2]" 1
753 1 18 GLN H 1 19 VAL H 3.150 . 3.150 2.641 2.568 2.703 . 0 0 "[ . 1 . 2]" 1
754 3 18 GLN H 3 19 VAL H 3.150 . 3.150 2.642 2.576 2.720 . 0 0 "[ . 1 . 2]" 1
755 1 17 GLU QG 1 18 GLN H 4.500 . 4.500 3.776 3.403 4.476 . 0 0 "[ . 1 . 2]" 1
756 3 17 GLU QG 3 18 GLN H 4.500 . 4.500 3.792 3.457 4.472 . 0 0 "[ . 1 . 2]" 1
757 1 16 LEU HB2 1 18 GLN H 5.500 . 5.500 5.530 5.499 5.557 0.057 10 0 "[ . 1 . 2]" 1
758 3 16 LEU HB2 3 18 GLN H 5.500 . 5.500 5.527 5.506 5.555 0.055 10 0 "[ . 1 . 2]" 1
759 1 18 GLN H 1 19 VAL MG1 4.640 . 4.640 4.294 4.154 4.416 . 0 0 "[ . 1 . 2]" 1
760 3 18 GLN H 3 19 VAL MG1 4.640 . 4.640 4.289 4.154 4.416 . 0 0 "[ . 1 . 2]" 1
761 1 52 VAL MG1 3 18 GLN H 5.500 . 5.500 4.938 4.561 5.285 . 0 0 "[ . 1 . 2]" 1
762 1 18 GLN H 3 52 VAL MG1 5.500 . 5.500 4.938 4.540 5.308 . 0 0 "[ . 1 . 2]" 1
763 1 19 VAL H 1 20 ARG H 3.480 . 3.480 2.591 2.532 2.697 . 0 0 "[ . 1 . 2]" 1
764 3 19 VAL H 3 20 ARG H 3.480 . 3.480 2.591 2.458 2.702 . 0 0 "[ . 1 . 2]" 1
765 1 18 GLN H 1 20 ARG H 4.510 . 4.510 4.019 3.922 4.082 . 0 0 "[ . 1 . 2]" 1
766 3 18 GLN H 3 20 ARG H 4.510 . 4.510 4.016 3.952 4.083 . 0 0 "[ . 1 . 2]" 1
767 1 17 GLU HA 1 20 ARG H 3.590 . 3.590 3.525 3.267 3.676 0.086 13 0 "[ . 1 . 2]" 1
768 3 17 GLU HA 3 20 ARG H 3.590 . 3.590 3.514 3.201 3.674 0.084 13 0 "[ . 1 . 2]" 1
769 1 19 VAL HB 1 20 ARG H 3.860 . 3.860 3.873 3.848 3.907 0.047 20 0 "[ . 1 . 2]" 1
770 3 19 VAL HB 3 20 ARG H 3.860 . 3.860 3.875 3.845 3.913 0.053 20 0 "[ . 1 . 2]" 1
771 1 20 ARG H 1 20 ARG HG2 4.690 . 4.690 4.402 4.247 4.538 . 0 0 "[ . 1 . 2]" 1
772 3 20 ARG H 3 20 ARG HG2 4.690 . 4.690 4.404 4.243 4.533 . 0 0 "[ . 1 . 2]" 1
773 1 19 VAL MG1 1 20 ARG H 4.010 . 4.010 2.268 2.206 2.362 . 0 0 "[ . 1 . 2]" 1
774 3 19 VAL MG1 3 20 ARG H 4.010 . 4.010 2.273 2.189 2.357 . 0 0 "[ . 1 . 2]" 1
775 1 52 VAL MG1 3 20 ARG H 3.810 . 3.810 3.466 3.257 3.661 . 0 0 "[ . 1 . 2]" 1
776 1 20 ARG H 3 52 VAL MG1 3.810 . 3.810 3.472 3.249 3.653 . 0 0 "[ . 1 . 2]" 1
777 1 21 GLU H 1 23 LEU H 4.780 . 4.780 4.391 4.307 4.429 . 0 0 "[ . 1 . 2]" 1
778 3 21 GLU H 3 23 LEU H 4.780 . 4.780 4.395 4.313 4.436 . 0 0 "[ . 1 . 2]" 1
779 1 19 VAL HA 1 21 GLU H 4.800 . 4.800 4.392 4.322 4.457 . 0 0 "[ . 1 . 2]" 1
780 3 19 VAL HA 3 21 GLU H 4.800 . 4.800 4.390 4.304 4.445 . 0 0 "[ . 1 . 2]" 1
781 1 20 ARG QD 1 21 GLU H 4.330 . 4.330 2.967 2.155 3.964 . 0 0 "[ . 1 . 2]" 1
782 3 20 ARG QD 3 21 GLU H 4.330 . 4.330 2.967 2.116 3.964 . 0 0 "[ . 1 . 2]" 1
783 1 21 GLU H 1 21 GLU QG 2.920 . 2.920 2.095 1.872 2.461 . 0 0 "[ . 1 . 2]" 1
784 3 21 GLU H 3 21 GLU QG 2.920 . 2.920 2.076 1.847 2.528 . 0 0 "[ . 1 . 2]" 1
785 1 21 GLU H 1 21 GLU QB 2.810 . 2.810 2.708 2.544 2.792 . 0 0 "[ . 1 . 2]" 1
786 3 21 GLU H 3 21 GLU QB 2.810 . 2.810 2.707 2.450 2.809 . 0 0 "[ . 1 . 2]" 1
787 1 20 ARG HA 1 23 LEU H 4.500 . 4.500 4.309 4.173 4.391 . 0 0 "[ . 1 . 2]" 1
788 3 20 ARG HA 3 23 LEU H 4.500 . 4.500 4.315 4.180 4.417 . 0 0 "[ . 1 . 2]" 1
789 1 19 VAL HA 1 23 LEU H 4.370 . 4.370 2.994 2.896 3.123 . 0 0 "[ . 1 . 2]" 1
790 3 19 VAL HA 3 23 LEU H 4.370 . 4.370 2.990 2.884 3.131 . 0 0 "[ . 1 . 2]" 1
791 1 23 LEU H 1 23 LEU HB2 3.400 . 3.400 3.023 2.926 3.146 . 0 0 "[ . 1 . 2]" 1
792 3 23 LEU H 3 23 LEU HB2 3.400 . 3.400 3.022 2.926 3.125 . 0 0 "[ . 1 . 2]" 1
793 1 23 LEU H 1 23 LEU HG 3.940 . 3.940 3.873 3.795 3.946 0.006 5 0 "[ . 1 . 2]" 1
794 3 23 LEU H 3 23 LEU HG 3.940 . 3.940 3.873 3.770 3.959 0.019 5 0 "[ . 1 . 2]" 1
795 1 23 LEU H 1 23 LEU HB3 3.600 . 3.600 2.078 2.010 2.128 . 0 0 "[ . 1 . 2]" 1
796 3 23 LEU H 3 23 LEU HB3 3.600 . 3.600 2.079 2.020 2.121 . 0 0 "[ . 1 . 2]" 1
797 1 19 VAL MG2 1 23 LEU H 4.180 . 4.180 3.270 3.126 3.377 . 0 0 "[ . 1 . 2]" 1
798 3 19 VAL MG2 3 23 LEU H 4.180 . 4.180 3.270 3.104 3.392 . 0 0 "[ . 1 . 2]" 1
799 1 19 VAL MG1 1 23 LEU H 4.530 . 4.530 4.403 4.264 4.494 . 0 0 "[ . 1 . 2]" 1
800 3 19 VAL MG1 3 23 LEU H 4.530 . 4.530 4.409 4.293 4.493 . 0 0 "[ . 1 . 2]" 1
801 1 23 LEU H 1 26 ALA H 5.300 . 5.300 4.512 4.385 4.698 . 0 0 "[ . 1 . 2]" 1
802 3 23 LEU H 3 26 ALA H 5.300 . 5.300 4.506 4.389 4.691 . 0 0 "[ . 1 . 2]" 1
803 1 26 ALA H 1 27 GLU HA 5.340 . 5.340 5.286 5.210 5.315 . 0 0 "[ . 1 . 2]" 1
804 3 26 ALA H 3 27 GLU HA 5.340 . 5.340 5.295 5.194 5.338 . 0 0 "[ . 1 . 2]" 1
805 1 26 ALA H 1 29 GLU QG 4.680 . 4.680 4.249 4.047 4.860 0.180 16 0 "[ . 1 . 2]" 1
806 3 26 ALA H 3 29 GLU QG 4.680 . 4.680 4.241 4.016 4.896 0.216 16 0 "[ . 1 . 2]" 1
807 1 26 ALA H 1 27 GLU QB 4.670 . 4.670 4.653 4.529 4.716 0.046 13 0 "[ . 1 . 2]" 1
808 3 26 ALA H 3 27 GLU QB 4.670 . 4.670 4.663 4.514 4.725 0.055 13 0 "[ . 1 . 2]" 1
809 1 25 LYS HB2 1 26 ALA H 3.800 . 3.800 3.524 2.535 3.843 0.043 15 0 "[ . 1 . 2]" 1
810 3 25 LYS HB2 3 26 ALA H 3.800 . 3.800 3.566 2.543 3.836 0.036 14 0 "[ . 1 . 2]" 1
811 1 25 LYS HB3 1 26 ALA H 3.800 . 3.800 2.497 2.217 3.751 . 0 0 "[ . 1 . 2]" 1
812 3 25 LYS HB3 3 26 ALA H 3.800 . 3.800 2.450 2.223 3.745 . 0 0 "[ . 1 . 2]" 1
813 1 23 LEU MD1 1 26 ALA H 4.960 . 4.960 4.609 4.410 4.862 . 0 0 "[ . 1 . 2]" 1
814 3 23 LEU MD1 3 26 ALA H 4.960 . 4.960 4.599 4.348 4.858 . 0 0 "[ . 1 . 2]" 1
815 1 31 GLU H 1 32 SER H 3.330 . 3.330 2.935 2.858 2.982 . 0 0 "[ . 1 . 2]" 1
816 3 31 GLU H 3 32 SER H 3.330 . 3.330 2.964 2.908 3.016 . 0 0 "[ . 1 . 2]" 1
817 1 28 LYS HA 1 32 SER H 4.540 . 4.540 4.079 3.843 4.337 . 0 0 "[ . 1 . 2]" 1
818 3 28 LYS HA 3 32 SER H 4.540 . 4.540 4.088 3.873 4.359 . 0 0 "[ . 1 . 2]" 1
819 1 29 GLU HA 1 32 SER H 4.770 . 4.770 3.434 3.182 4.039 . 0 0 "[ . 1 . 2]" 1
820 3 29 GLU HA 3 32 SER H 4.770 . 4.770 3.450 3.186 4.012 . 0 0 "[ . 1 . 2]" 1
821 1 30 LEU HA 1 32 SER H 4.010 . 4.010 4.128 4.045 4.192 0.182 8 0 "[ . 1 . 2]" 1
822 3 30 LEU HA 3 32 SER H 4.010 . 4.010 4.122 4.040 4.186 0.176 8 0 "[ . 1 . 2]" 1
823 1 31 GLU HG2 1 32 SER H 4.620 . 4.620 2.792 2.294 3.357 . 0 0 "[ . 1 . 2]" 1
824 3 31 GLU HG2 3 32 SER H 4.620 . 4.620 2.809 2.257 3.464 . 0 0 "[ . 1 . 2]" 1
825 1 31 GLU HG3 1 32 SER H 4.620 . 4.620 2.528 2.214 3.065 . 0 0 "[ . 1 . 2]" 1
826 3 31 GLU HG3 3 32 SER H 4.620 . 4.620 2.521 2.109 3.036 . 0 0 "[ . 1 . 2]" 1
827 1 30 LEU HB2 1 32 SER H 5.390 . 5.390 5.320 5.233 5.392 0.002 13 0 "[ . 1 . 2]" 1
828 3 30 LEU HB2 3 32 SER H 5.390 . 5.390 5.326 5.239 5.416 0.026 13 0 "[ . 1 . 2]" 1
829 1 30 LEU HB3 1 32 SER H 4.860 . 4.860 4.589 4.482 4.664 . 0 0 "[ . 1 . 2]" 1
830 3 30 LEU HB3 3 32 SER H 4.860 . 4.860 4.611 4.515 4.695 . 0 0 "[ . 1 . 2]" 1
831 1 45 TRP H 1 46 LEU H 3.550 . 3.550 2.944 2.902 2.995 . 0 0 "[ . 1 . 2]" 1
832 3 45 TRP H 3 46 LEU H 3.550 . 3.550 2.959 2.895 3.028 . 0 0 "[ . 1 . 2]" 1
833 1 42 LEU H 1 45 TRP H 4.810 . 4.810 4.595 4.541 4.658 . 0 0 "[ . 1 . 2]" 1
834 3 42 LEU H 3 45 TRP H 4.810 . 4.810 4.593 4.538 4.669 . 0 0 "[ . 1 . 2]" 1
835 1 45 TRP H 1 45 TRP HE3 4.280 . 4.280 4.105 3.976 4.187 . 0 0 "[ . 1 . 2]" 1
836 3 45 TRP H 3 45 TRP HE3 4.280 . 4.280 4.103 4.001 4.171 . 0 0 "[ . 1 . 2]" 1
837 1 45 TRP H 1 45 TRP HB2 3.470 . 3.470 2.723 2.618 2.814 . 0 0 "[ . 1 . 2]" 1
838 3 45 TRP H 3 45 TRP HB2 3.470 . 3.470 2.721 2.630 2.797 . 0 0 "[ . 1 . 2]" 1
839 1 45 TRP H 1 45 TRP HB3 3.340 . 3.340 2.202 2.154 2.255 . 0 0 "[ . 1 . 2]" 1
840 3 45 TRP H 3 45 TRP HB3 3.340 . 3.340 2.206 2.155 2.266 . 0 0 "[ . 1 . 2]" 1
841 1 43 GLN QB 1 45 TRP H 4.720 . 4.720 4.679 4.551 4.767 0.047 18 0 "[ . 1 . 2]" 1
842 3 43 GLN QB 3 45 TRP H 4.720 . 4.720 4.689 4.515 4.760 0.040 18 0 "[ . 1 . 2]" 1
843 1 44 LYS QD 1 45 TRP H 5.050 . 5.050 4.388 3.850 5.103 0.053 8 0 "[ . 1 . 2]" 1
844 3 44 LYS QD 3 45 TRP H 5.050 . 5.050 4.386 3.774 5.096 0.046 8 0 "[ . 1 . 2]" 1
845 1 41 ALA MB 1 45 TRP H 5.080 . 5.080 4.428 4.344 4.539 . 0 0 "[ . 1 . 2]" 1
846 3 41 ALA MB 3 45 TRP H 5.080 . 5.080 4.431 4.313 4.545 . 0 0 "[ . 1 . 2]" 1
847 1 44 LYS QG 1 45 TRP H 5.250 . 5.250 3.633 3.102 4.246 . 0 0 "[ . 1 . 2]" 1
848 3 44 LYS QG 3 45 TRP H 5.250 . 5.250 3.633 3.104 4.241 . 0 0 "[ . 1 . 2]" 1
849 1 30 LEU MD2 1 45 TRP H 5.000 . 5.000 4.637 4.356 4.821 . 0 0 "[ . 1 . 2]" 1
850 1 27 GLU H 1 45 TRP HE1 4.270 . 4.270 3.690 3.456 3.856 . 0 0 "[ . 1 . 2]" 1
851 3 27 GLU H 3 45 TRP HE1 4.270 . 4.270 3.687 3.430 3.819 . 0 0 "[ . 1 . 2]" 1
852 1 31 GLU H 1 45 TRP HE1 4.840 . 4.840 4.934 4.904 4.949 0.109 17 0 "[ . 1 . 2]" 1
853 3 31 GLU H 3 45 TRP HE1 4.840 . 4.840 4.916 4.875 4.940 0.100 5 0 "[ . 1 . 2]" 1
854 1 45 TRP HE1 1 49 THR HB 5.500 . 5.500 5.181 4.987 5.378 . 0 0 "[ . 1 . 2]" 1
855 3 45 TRP HE1 3 49 THR HB 5.500 . 5.500 5.200 4.985 5.458 . 0 0 "[ . 1 . 2]" 1
856 1 27 GLU HA 1 45 TRP HE1 4.330 . 4.330 1.940 1.819 2.067 . 0 0 "[ . 1 . 2]" 1
857 3 27 GLU HA 3 45 TRP HE1 4.330 . 4.330 1.951 1.848 2.061 . 0 0 "[ . 1 . 2]" 1
858 1 27 GLU QB 1 45 TRP HE1 3.890 . 3.890 3.515 3.395 3.653 . 0 0 "[ . 1 . 2]" 1
859 3 27 GLU QB 3 45 TRP HE1 3.890 . 3.890 3.575 3.435 3.715 . 0 0 "[ . 1 . 2]" 1
860 1 30 LEU HB2 1 45 TRP HE1 4.760 . 4.760 3.735 3.595 3.859 . 0 0 "[ . 1 . 2]" 1
861 3 30 LEU HB2 3 45 TRP HE1 4.760 . 4.760 3.768 3.605 3.927 . 0 0 "[ . 1 . 2]" 1
862 1 26 ALA MB 1 45 TRP HE1 3.890 . 3.890 3.700 3.470 3.893 0.003 16 0 "[ . 1 . 2]" 1
863 3 26 ALA MB 3 45 TRP HE1 3.890 . 3.890 3.678 3.432 3.871 . 0 0 "[ . 1 . 2]" 1
864 1 30 LEU HG 1 45 TRP HE1 4.200 . 4.200 3.558 3.411 3.766 . 0 0 "[ . 1 . 2]" 1
865 3 30 LEU HG 3 45 TRP HE1 4.200 . 4.200 3.518 3.357 3.733 . 0 0 "[ . 1 . 2]" 1
866 1 45 TRP HE1 1 46 LEU MD2 5.500 . 5.500 4.901 4.700 5.087 . 0 0 "[ . 1 . 2]" 1
867 3 45 TRP HE1 3 46 LEU MD2 5.500 . 5.500 4.920 4.729 5.091 . 0 0 "[ . 1 . 2]" 1
868 1 45 TRP HE1 1 49 THR MG 3.820 . 3.820 2.603 2.401 2.744 . 0 0 "[ . 1 . 2]" 1
869 3 45 TRP HE1 3 49 THR MG 3.820 . 3.820 2.613 2.392 2.781 . 0 0 "[ . 1 . 2]" 1
870 1 30 LEU MD2 1 45 TRP HE1 4.880 . 4.880 3.793 3.603 3.958 . 0 0 "[ . 1 . 2]" 1
871 1 43 GLN H 1 46 LEU H 4.780 . 4.780 4.685 4.597 4.755 . 0 0 "[ . 1 . 2]" 1
872 3 43 GLN H 3 46 LEU H 4.780 . 4.780 4.672 4.586 4.726 . 0 0 "[ . 1 . 2]" 1
873 1 45 TRP HE3 1 46 LEU H 4.390 . 4.390 2.524 2.374 2.720 . 0 0 "[ . 1 . 2]" 1
874 3 45 TRP HE3 3 46 LEU H 4.390 . 4.390 2.565 2.429 2.759 . 0 0 "[ . 1 . 2]" 1
875 1 43 GLN HA 1 46 LEU H 4.430 . 4.430 3.797 3.565 4.032 . 0 0 "[ . 1 . 2]" 1
876 3 43 GLN HA 3 46 LEU H 4.430 . 4.430 3.746 3.435 3.989 . 0 0 "[ . 1 . 2]" 1
877 1 45 TRP HB2 1 46 LEU H 4.010 . 4.010 3.911 3.868 3.958 . 0 0 "[ . 1 . 2]" 1
878 3 45 TRP HB2 3 46 LEU H 4.010 . 4.010 3.963 3.900 4.012 0.002 2 0 "[ . 1 . 2]" 1
879 1 45 TRP HB3 1 46 LEU H 4.020 . 4.020 2.506 2.438 2.599 . 0 0 "[ . 1 . 2]" 1
880 3 45 TRP HB3 3 46 LEU H 4.020 . 4.020 2.563 2.464 2.635 . 0 0 "[ . 1 . 2]" 1
881 1 46 LEU H 1 47 GLN HB2 5.210 . 5.210 5.067 4.805 5.213 0.003 4 0 "[ . 1 . 2]" 1
882 3 46 LEU H 3 47 GLN HB2 5.210 . 5.210 5.055 4.882 5.217 0.007 16 0 "[ . 1 . 2]" 1
883 1 46 LEU H 1 47 GLN HB3 5.150 . 5.150 4.947 4.654 5.151 0.001 9 0 "[ . 1 . 2]" 1
884 3 46 LEU H 3 47 GLN HB3 5.150 . 5.150 4.914 4.629 5.110 . 0 0 "[ . 1 . 2]" 1
885 1 46 LEU H 1 46 LEU MD2 3.740 . 3.740 3.720 3.616 3.775 0.035 6 0 "[ . 1 . 2]" 1
886 3 46 LEU H 3 46 LEU MD2 3.740 . 3.740 3.720 3.619 3.778 0.038 6 0 "[ . 1 . 2]" 1
887 1 30 LEU MD2 1 46 LEU H 5.500 . 5.500 5.560 5.516 5.606 0.106 2 0 "[ . 1 . 2]" 1
888 1 46 LEU H 1 47 GLN H 5.390 . 5.390 2.711 2.643 2.793 . 0 0 "[ . 1 . 2]" 1
889 3 46 LEU H 3 47 GLN H 5.390 . 5.390 2.670 2.608 2.744 . 0 0 "[ . 1 . 2]" 1
890 1 45 TRP HB3 1 47 GLN H 5.080 . 5.080 4.870 4.773 4.957 . 0 0 "[ . 1 . 2]" 1
891 3 45 TRP HB3 3 47 GLN H 5.080 . 5.080 4.879 4.765 4.969 . 0 0 "[ . 1 . 2]" 1
892 1 47 GLN H 1 47 GLN HB2 3.550 . 3.550 2.500 2.319 2.591 . 0 0 "[ . 1 . 2]" 1
893 3 47 GLN H 3 47 GLN HB2 3.550 . 3.550 2.531 2.411 2.622 . 0 0 "[ . 1 . 2]" 1
894 1 47 GLN H 1 47 GLN HB3 2.890 . 2.890 2.544 2.408 2.741 . 0 0 "[ . 1 . 2]" 1
895 3 47 GLN H 3 47 GLN HB3 2.890 . 2.890 2.538 2.425 2.663 . 0 0 "[ . 1 . 2]" 1
896 1 33 HIS H 1 37 TYR HE2 5.500 . 5.500 5.431 5.268 5.536 0.036 5 0 "[ . 1 . 2]" 1
897 3 33 HIS H 3 37 TYR HE2 5.500 . 5.500 5.424 5.212 5.544 0.044 16 0 "[ . 1 . 2]" 1
898 1 30 LEU HA 1 33 HIS H 3.850 . 3.850 3.340 3.110 3.536 . 0 0 "[ . 1 . 2]" 1
899 3 30 LEU HA 3 33 HIS H 3.850 . 3.850 3.315 3.064 3.490 . 0 0 "[ . 1 . 2]" 1
900 1 26 ALA HA 1 30 LEU H 4.020 . 4.020 3.782 3.628 3.879 . 0 0 "[ . 1 . 2]" 1
901 3 26 ALA HA 3 30 LEU H 4.020 . 4.020 3.766 3.578 3.879 . 0 0 "[ . 1 . 2]" 1
902 1 27 GLU HA 1 30 LEU H 3.920 . 3.920 3.619 3.453 3.718 . 0 0 "[ . 1 . 2]" 1
903 3 27 GLU HA 3 30 LEU H 3.920 . 3.920 3.651 3.501 3.720 . 0 0 "[ . 1 . 2]" 1
904 1 29 GLU QG 1 30 LEU H 3.860 . 3.860 2.499 2.336 3.058 . 0 0 "[ . 1 . 2]" 1
905 3 29 GLU QG 3 30 LEU H 3.860 . 3.860 2.471 2.219 2.979 . 0 0 "[ . 1 . 2]" 1
906 1 29 GLU HB3 1 30 LEU H 3.900 . 3.900 3.723 2.269 3.985 0.085 20 0 "[ . 1 . 2]" 1
907 3 29 GLU HB3 3 30 LEU H 3.900 . 3.900 3.718 2.266 3.971 0.071 20 0 "[ . 1 . 2]" 1
908 1 30 LEU H 1 30 LEU HB2 3.320 . 3.320 2.294 2.165 2.341 . 0 0 "[ . 1 . 2]" 1
909 3 30 LEU H 3 30 LEU HB2 3.320 . 3.320 2.290 2.186 2.340 . 0 0 "[ . 1 . 2]" 1
910 1 30 LEU H 1 30 LEU HB3 3.560 . 3.560 2.645 2.515 2.728 . 0 0 "[ . 1 . 2]" 1
911 3 30 LEU H 3 30 LEU HB3 3.560 . 3.560 2.638 2.493 2.703 . 0 0 "[ . 1 . 2]" 1
912 1 30 LEU H 1 30 LEU MD1 4.860 . 4.860 4.305 4.233 4.346 . 0 0 "[ . 1 . 2]" 1
913 3 30 LEU H 3 30 LEU MD2 4.860 . 4.860 3.974 3.892 4.040 . 0 0 "[ . 1 . 2]" 1
914 1 76 GLU H 1 77 LYS H 3.230 . 3.230 2.427 2.298 2.601 . 0 0 "[ . 1 . 2]" 1
915 3 76 GLU H 3 77 LYS H 3.230 . 3.230 2.413 2.292 2.505 . 0 0 "[ . 1 . 2]" 1
916 1 76 GLU H 1 76 GLU HA 2.920 . 2.920 2.881 2.838 2.904 . 0 0 "[ . 1 . 2]" 1
917 3 76 GLU H 3 76 GLU HA 2.920 . 2.920 2.886 2.864 2.914 . 0 0 "[ . 1 . 2]" 1
918 1 31 GLU H 1 31 GLU QB 2.950 . 2.950 2.515 2.357 2.663 . 0 0 "[ . 1 . 2]" 1
919 3 31 GLU H 3 31 GLU QB 2.950 . 2.950 2.526 2.372 2.658 . 0 0 "[ . 1 . 2]" 1
920 1 76 GLU H 1 76 GLU QB 3.170 . 3.170 2.777 2.553 2.899 . 0 0 "[ . 1 . 2]" 1
921 3 76 GLU H 3 76 GLU QB 3.170 . 3.170 2.789 2.568 2.894 . 0 0 "[ . 1 . 2]" 1
922 1 76 GLU H 1 77 LYS QB 4.500 . 4.500 4.218 3.785 4.458 . 0 0 "[ . 1 . 2]" 1
923 3 76 GLU H 3 77 LYS QB 4.500 . 4.500 4.187 3.736 4.370 . 0 0 "[ . 1 . 2]" 1
924 1 75 ALA MB 1 76 GLU H 3.260 . 3.260 2.678 2.435 2.812 . 0 0 "[ . 1 . 2]" 1
925 3 75 ALA MB 3 76 GLU H 3.260 . 3.260 2.686 2.536 2.821 . 0 0 "[ . 1 . 2]" 1
926 1 30 LEU HB2 1 31 GLU H 3.680 . 3.680 3.427 3.378 3.486 . 0 0 "[ . 1 . 2]" 1
927 3 30 LEU HB2 3 31 GLU H 3.680 . 3.680 3.417 3.368 3.475 . 0 0 "[ . 1 . 2]" 1
928 1 30 LEU HB3 1 31 GLU H 3.860 . 3.860 2.038 1.966 2.091 . 0 0 "[ . 1 . 2]" 1
929 3 30 LEU HB3 3 31 GLU H 3.860 . 3.860 2.029 1.971 2.072 . 0 0 "[ . 1 . 2]" 1
930 1 27 GLU HA 1 31 GLU H 4.280 . 4.280 3.683 3.582 3.850 . 0 0 "[ . 1 . 2]" 1
931 3 27 GLU HA 3 31 GLU H 4.280 . 4.280 3.680 3.582 3.834 . 0 0 "[ . 1 . 2]" 1
932 1 28 LYS H 1 30 LEU H 4.410 . 4.410 4.069 3.982 4.139 . 0 0 "[ . 1 . 2]" 1
933 3 28 LYS H 3 30 LEU H 4.410 . 4.410 4.072 3.999 4.166 . 0 0 "[ . 1 . 2]" 1
934 1 58 ASN HB2 1 59 ILE H 4.010 . 4.010 3.483 2.741 3.746 . 0 0 "[ . 1 . 2]" 1
935 3 58 ASN HB2 3 59 ILE H 4.010 . 4.010 3.473 2.772 3.743 . 0 0 "[ . 1 . 2]" 1
936 1 58 ASN HB3 1 59 ILE H 4.010 . 4.010 2.721 2.358 3.589 . 0 0 "[ . 1 . 2]" 1
937 3 58 ASN HB3 3 59 ILE H 4.010 . 4.010 2.715 2.326 3.506 . 0 0 "[ . 1 . 2]" 1
938 1 59 ILE H 1 59 ILE HG13 3.730 . 3.730 2.178 2.028 2.265 . 0 0 "[ . 1 . 2]" 1
939 3 59 ILE H 3 59 ILE HG13 3.730 . 3.730 2.182 2.052 2.279 . 0 0 "[ . 1 . 2]" 1
940 1 59 ILE H 1 59 ILE MD 3.490 . 3.490 3.328 3.268 3.401 . 0 0 "[ . 1 . 2]" 1
941 3 59 ILE H 3 59 ILE MD 3.490 . 3.490 3.335 3.269 3.411 . 0 0 "[ . 1 . 2]" 1
942 1 33 HIS H 1 34 SER H 3.900 . 3.900 2.626 2.456 2.762 . 0 0 "[ . 1 . 2]" 1
943 3 33 HIS H 3 34 SER H 3.900 . 3.900 2.616 2.439 2.765 . 0 0 "[ . 1 . 2]" 1
944 1 34 SER H 1 36 TRP HD1 5.100 . 5.100 4.819 4.444 5.112 0.012 20 0 "[ . 1 . 2]" 1
945 3 34 SER H 3 36 TRP HD1 5.100 . 5.100 4.837 4.514 5.105 0.005 20 0 "[ . 1 . 2]" 1
946 1 33 HIS HB2 1 34 SER H 5.120 . 5.120 3.441 3.000 4.058 . 0 0 "[ . 1 . 2]" 1
947 3 33 HIS HB2 3 34 SER H 5.120 . 5.120 3.437 3.004 4.084 . 0 0 "[ . 1 . 2]" 1
948 1 33 HIS HB3 1 34 SER H 5.120 . 5.120 3.581 3.051 3.965 . 0 0 "[ . 1 . 2]" 1
949 3 33 HIS HB3 3 34 SER H 5.120 . 5.120 3.570 2.979 3.973 . 0 0 "[ . 1 . 2]" 1
950 1 34 SER H 1 35 SER H 3.670 . 3.670 2.860 2.691 2.976 . 0 0 "[ . 1 . 2]" 1
951 3 34 SER H 3 35 SER H 3.670 . 3.670 2.858 2.701 2.992 . 0 0 "[ . 1 . 2]" 1
952 1 35 SER H 1 36 TRP H 3.910 . 3.910 2.525 2.366 2.620 . 0 0 "[ . 1 . 2]" 1
953 3 35 SER H 3 36 TRP H 3.910 . 3.910 2.527 2.360 2.614 . 0 0 "[ . 1 . 2]" 1
954 1 35 SER H 1 37 TYR H 4.790 . 4.790 4.262 4.059 4.517 . 0 0 "[ . 1 . 2]" 1
955 3 35 SER H 3 37 TYR H 4.790 . 4.790 4.255 4.053 4.501 . 0 0 "[ . 1 . 2]" 1
956 1 35 SER H 1 36 TRP HD1 4.450 . 4.450 3.049 2.512 3.468 . 0 0 "[ . 1 . 2]" 1
957 3 35 SER H 3 36 TRP HD1 4.450 . 4.450 3.076 2.625 3.509 . 0 0 "[ . 1 . 2]" 1
958 1 34 SER HA 1 35 SER H 3.460 . 3.460 3.447 3.387 3.477 0.017 18 0 "[ . 1 . 2]" 1
959 3 34 SER HA 3 35 SER H 3.460 . 3.460 3.448 3.399 3.470 0.010 18 0 "[ . 1 . 2]" 1
960 1 35 SER H 1 36 TRP HB2 4.590 . 4.590 4.600 4.510 4.631 0.041 1 0 "[ . 1 . 2]" 1
961 3 35 SER H 3 36 TRP HB2 4.590 . 4.590 4.602 4.509 4.629 0.039 1 0 "[ . 1 . 2]" 1
962 1 36 TRP H 1 36 TRP HE1 5.500 . 5.500 4.856 4.524 5.224 . 0 0 "[ . 1 . 2]" 1
963 3 36 TRP H 3 36 TRP HE1 5.500 . 5.500 4.865 4.623 5.239 . 0 0 "[ . 1 . 2]" 1
964 1 36 TRP HB2 1 36 TRP HE1 4.900 . 4.900 4.887 4.745 4.929 0.029 20 0 "[ . 1 . 2]" 1
965 3 36 TRP HB2 3 36 TRP HE1 4.900 . 4.900 4.887 4.754 4.925 0.025 9 0 "[ . 1 . 2]" 1
966 1 36 TRP H 1 36 TRP HD1 3.460 . 3.460 2.317 1.980 2.691 . 0 0 "[ . 1 . 2]" 1
967 3 36 TRP H 3 36 TRP HD1 3.460 . 3.460 2.326 2.090 2.704 . 0 0 "[ . 1 . 2]" 1
968 1 36 TRP H 1 36 TRP HB2 2.990 . 2.990 2.413 2.345 2.556 . 0 0 "[ . 1 . 2]" 1
969 3 36 TRP H 3 36 TRP HB2 2.990 . 2.990 2.410 2.342 2.546 . 0 0 "[ . 1 . 2]" 1
970 1 37 TYR H 1 37 TYR HD1 3.810 . 3.810 3.615 3.346 3.814 0.004 8 0 "[ . 1 . 2]" 1
971 3 37 TYR H 3 37 TYR HD1 3.810 . 3.810 3.611 3.451 3.820 0.010 8 0 "[ . 1 . 2]" 1
972 1 37 TYR H 1 37 TYR HE2 4.730 . 4.730 4.746 4.541 4.790 0.060 8 0 "[ . 1 . 2]" 1
973 3 37 TYR H 3 37 TYR HE2 4.730 . 4.730 4.748 4.481 4.802 0.072 8 0 "[ . 1 . 2]" 1
974 1 36 TRP H 1 37 TYR H 2.890 . 2.890 2.260 2.114 2.403 . 0 0 "[ . 1 . 2]" 1
975 3 36 TRP H 3 37 TYR H 2.890 . 2.890 2.260 2.136 2.359 . 0 0 "[ . 1 . 2]" 1
976 1 35 SER HA 1 37 TYR H 4.940 . 4.940 4.294 3.883 4.909 . 0 0 "[ . 1 . 2]" 1
977 3 35 SER HA 3 37 TYR H 4.940 . 4.940 4.267 3.810 4.971 0.031 5 0 "[ . 1 . 2]" 1
978 1 36 TRP HB2 1 37 TYR H 3.490 . 3.490 2.815 2.232 3.317 . 0 0 "[ . 1 . 2]" 1
979 3 36 TRP HB2 3 37 TYR H 3.490 . 3.490 2.837 2.276 3.443 . 0 0 "[ . 1 . 2]" 1
980 1 37 TYR H 1 37 TYR HB2 3.460 . 3.460 3.719 3.660 3.763 0.303 8 0 "[ . 1 . 2]" 1
981 3 37 TYR H 3 37 TYR HB2 3.460 . 3.460 3.721 3.649 3.764 0.304 8 0 "[ . 1 . 2]" 1
982 1 37 TYR H 1 37 TYR HB3 3.740 . 3.740 3.368 3.140 3.500 . 0 0 "[ . 1 . 2]" 1
983 3 37 TYR H 3 37 TYR HB3 3.740 . 3.740 3.367 3.131 3.495 . 0 0 "[ . 1 . 2]" 1
984 1 37 TYR H 1 38 ALA H 4.760 . 4.760 4.323 4.201 4.423 . 0 0 "[ . 1 . 2]" 1
985 3 37 TYR H 3 38 ALA H 4.760 . 4.760 4.316 4.183 4.420 . 0 0 "[ . 1 . 2]" 1
986 1 37 TYR HA 1 38 ALA H 3.070 . 3.070 2.758 2.611 3.024 . 0 0 "[ . 1 . 2]" 1
987 3 37 TYR HA 3 38 ALA H 3.070 . 3.070 2.752 2.614 3.014 . 0 0 "[ . 1 . 2]" 1
988 1 38 ALA H 1 39 PRO HD2 4.820 . 4.820 4.798 4.632 4.843 0.023 4 0 "[ . 1 . 2]" 1
989 3 38 ALA H 3 39 PRO HD2 4.820 . 4.820 4.794 4.660 4.840 0.020 5 0 "[ . 1 . 2]" 1
990 1 37 TYR HB2 1 38 ALA H 3.690 . 3.690 1.774 1.670 1.882 . 0 0 "[ . 1 . 2]" 1
991 3 37 TYR HB2 3 38 ALA H 3.690 . 3.690 1.773 1.675 1.883 . 0 0 "[ . 1 . 2]" 1
992 1 37 TYR HB3 1 38 ALA H 3.990 . 3.990 3.246 3.182 3.315 . 0 0 "[ . 1 . 2]" 1
993 3 37 TYR HB3 3 38 ALA H 3.990 . 3.990 3.250 3.182 3.301 . 0 0 "[ . 1 . 2]" 1
994 1 38 ALA H 1 40 GLU QG 5.040 . 5.040 4.183 3.724 4.588 . 0 0 "[ . 1 . 2]" 1
995 3 38 ALA H 3 40 GLU QG 5.040 . 5.040 4.238 3.809 4.588 . 0 0 "[ . 1 . 2]" 1
996 1 38 ALA H 1 38 ALA MB 2.950 . 2.950 2.227 2.195 2.271 . 0 0 "[ . 1 . 2]" 1
997 3 38 ALA H 3 38 ALA MB 2.950 . 2.950 2.227 2.200 2.268 . 0 0 "[ . 1 . 2]" 1
998 1 39 PRO HD2 1 40 GLU H 4.420 . 4.420 2.992 2.754 3.360 . 0 0 "[ . 1 . 2]" 1
999 3 39 PRO HD2 3 40 GLU H 4.420 . 4.420 2.989 2.751 3.370 . 0 0 "[ . 1 . 2]" 1
1000 1 40 GLU H 1 40 GLU QG 3.730 . 3.730 2.105 1.886 2.391 . 0 0 "[ . 1 . 2]" 1
1001 3 40 GLU H 3 40 GLU QG 3.730 . 3.730 2.123 1.883 2.435 . 0 0 "[ . 1 . 2]" 1
1002 1 40 GLU H 1 40 GLU QB 3.420 . 3.420 2.546 2.467 2.598 . 0 0 "[ . 1 . 2]" 1
1003 3 40 GLU H 3 40 GLU QB 3.420 . 3.420 2.546 2.433 2.634 . 0 0 "[ . 1 . 2]" 1
1004 1 38 ALA MB 1 40 GLU H 4.060 . 4.060 2.640 2.524 2.733 . 0 0 "[ . 1 . 2]" 1
1005 3 38 ALA MB 3 40 GLU H 4.060 . 4.060 2.633 2.559 2.741 . 0 0 "[ . 1 . 2]" 1
1006 1 38 ALA HA 1 41 ALA H 5.500 . 5.500 5.241 4.904 5.470 . 0 0 "[ . 1 . 2]" 1
1007 3 38 ALA HA 3 41 ALA H 5.500 . 5.500 5.244 4.943 5.508 0.008 11 0 "[ . 1 . 2]" 1
1008 1 39 PRO HD2 1 41 ALA H 5.330 . 5.330 5.261 4.911 5.385 0.055 11 0 "[ . 1 . 2]" 1
1009 3 39 PRO HD2 3 41 ALA H 5.330 . 5.330 5.259 4.957 5.381 0.051 11 0 "[ . 1 . 2]" 1
1010 1 40 GLU QG 1 41 ALA H 3.880 . 3.880 2.288 2.103 2.458 . 0 0 "[ . 1 . 2]" 1
1011 3 40 GLU QG 3 41 ALA H 3.880 . 3.880 2.311 2.006 2.459 . 0 0 "[ . 1 . 2]" 1
1012 1 41 ALA H 1 43 GLN QB 4.840 . 4.840 4.621 4.355 4.833 . 0 0 "[ . 1 . 2]" 1
1013 3 41 ALA H 3 43 GLN QB 4.840 . 4.840 4.640 4.344 4.849 0.009 18 0 "[ . 1 . 2]" 1
1014 1 40 GLU QB 1 41 ALA H 3.800 . 3.800 3.519 3.381 3.662 . 0 0 "[ . 1 . 2]" 1
1015 3 40 GLU QB 3 41 ALA H 3.800 . 3.800 3.531 3.382 3.659 . 0 0 "[ . 1 . 2]" 1
1016 1 41 ALA H 1 41 ALA MB 2.900 . 2.900 2.245 2.204 2.271 . 0 0 "[ . 1 . 2]" 1
1017 3 41 ALA H 3 41 ALA MB 2.900 . 2.900 2.246 2.221 2.290 . 0 0 "[ . 1 . 2]" 1
1018 1 78 ILE H 1 79 LYS H 3.090 . 3.090 2.610 2.217 2.714 . 0 0 "[ . 1 . 2]" 1
1019 3 78 ILE H 3 79 LYS H 3.090 . 3.090 2.601 2.227 2.753 . 0 0 "[ . 1 . 2]" 1
1020 1 75 ALA HA 1 79 LYS H 3.450 . 3.450 2.924 2.585 3.447 . 0 0 "[ . 1 . 2]" 1
1021 3 75 ALA HA 3 79 LYS H 3.450 . 3.450 2.914 2.577 3.340 . 0 0 "[ . 1 . 2]" 1
1022 1 78 ILE HB 1 79 LYS H 3.190 . 3.190 1.949 1.754 3.349 0.159 10 0 "[ . 1 . 2]" 1
1023 3 78 ILE HB 3 79 LYS H 3.190 . 3.190 1.948 1.718 3.321 0.131 10 0 "[ . 1 . 2]" 1
1024 1 78 ILE HG12 1 79 LYS H 4.440 . 4.440 4.329 2.291 4.494 0.054 14 0 "[ . 1 . 2]" 1
1025 3 78 ILE HG12 3 79 LYS H 4.440 . 4.440 4.326 2.325 4.504 0.064 8 0 "[ . 1 . 2]" 1
1026 1 78 ILE MD 1 79 LYS H 3.620 . 3.620 3.560 1.897 3.710 0.090 7 0 "[ . 1 . 2]" 1
1027 3 78 ILE MD 3 79 LYS H 3.620 . 3.620 3.551 1.799 3.702 0.082 6 0 "[ . 1 . 2]" 1
1028 1 79 LYS H 1 79 LYS QE 5.480 . 5.480 4.785 3.846 5.603 0.123 2 0 "[ . 1 . 2]" 1
1029 3 79 LYS H 3 79 LYS QE 5.480 . 5.480 4.878 3.977 5.658 0.178 13 0 "[ . 1 . 2]" 1
1030 1 78 ILE HG13 1 79 LYS H 4.440 . 4.440 3.352 1.785 3.547 . 0 0 "[ . 1 . 2]" 1
1031 3 78 ILE HG13 3 79 LYS H 4.440 . 4.440 3.343 1.774 3.537 . 0 0 "[ . 1 . 2]" 1
1032 1 42 LEU H 1 45 TRP HB2 5.500 . 5.500 5.533 5.507 5.574 0.074 7 0 "[ . 1 . 2]" 1
1033 3 42 LEU H 3 45 TRP HB2 5.500 . 5.500 5.530 5.511 5.568 0.068 7 0 "[ . 1 . 2]" 1
1034 1 42 LEU H 1 43 GLN QB 4.550 . 4.550 4.382 4.174 4.568 0.018 4 0 "[ . 1 . 2]" 1
1035 3 42 LEU H 3 43 GLN QB 4.550 . 4.550 4.384 4.136 4.563 0.013 20 0 "[ . 1 . 2]" 1
1036 1 41 ALA MB 1 42 LEU H 3.730 . 3.730 2.508 2.325 2.661 . 0 0 "[ . 1 . 2]" 1
1037 3 41 ALA MB 3 42 LEU H 3.730 . 3.730 2.511 2.317 2.665 . 0 0 "[ . 1 . 2]" 1
1038 1 42 LEU H 1 42 LEU HB2 4.140 . 4.140 2.700 2.503 2.965 . 0 0 "[ . 1 . 2]" 1
1039 3 42 LEU H 3 42 LEU HB2 4.140 . 4.140 2.705 2.522 2.970 . 0 0 "[ . 1 . 2]" 1
1040 1 48 LEU H 1 49 THR H 4.240 . 4.240 2.684 2.575 2.762 . 0 0 "[ . 1 . 2]" 1
1041 3 48 LEU H 3 49 THR H 4.240 . 4.240 2.677 2.565 2.765 . 0 0 "[ . 1 . 2]" 1
1042 1 49 THR H 1 50 HIS HA 5.500 . 5.500 5.278 5.242 5.332 . 0 0 "[ . 1 . 2]" 1
1043 3 49 THR H 3 50 HIS HA 5.500 . 5.500 5.277 5.229 5.319 . 0 0 "[ . 1 . 2]" 1
1044 1 45 TRP HA 1 49 THR H 4.840 . 4.840 3.900 3.751 4.051 . 0 0 "[ . 1 . 2]" 1
1045 3 45 TRP HA 3 49 THR H 4.840 . 4.840 3.894 3.741 4.055 . 0 0 "[ . 1 . 2]" 1
1046 1 49 THR H 1 49 THR HB 3.660 . 3.660 3.598 3.572 3.625 . 0 0 "[ . 1 . 2]" 1
1047 3 49 THR H 3 49 THR HB 3.660 . 3.660 3.592 3.568 3.626 . 0 0 "[ . 1 . 2]" 1
1048 1 47 GLN HB3 1 49 THR H 5.440 . 5.440 5.100 4.870 5.241 . 0 0 "[ . 1 . 2]" 1
1049 3 47 GLN HB3 3 49 THR H 5.440 . 5.440 5.115 4.824 5.307 . 0 0 "[ . 1 . 2]" 1
1050 1 46 LEU MD1 1 49 THR H 5.120 . 5.120 4.393 4.154 4.564 . 0 0 "[ . 1 . 2]" 1
1051 3 46 LEU MD1 3 49 THR H 5.120 . 5.120 4.397 4.161 4.602 . 0 0 "[ . 1 . 2]" 1
1052 1 49 THR H 1 52 VAL MG2 5.490 . 5.490 5.122 4.933 5.422 . 0 0 "[ . 1 . 2]" 1
1053 3 49 THR H 3 52 VAL MG2 5.490 . 5.490 5.125 4.970 5.422 . 0 0 "[ . 1 . 2]" 1
1054 1 48 LEU MD1 1 49 THR H 5.010 . 5.010 4.530 4.347 4.766 . 0 0 "[ . 1 . 2]" 1
1055 3 48 LEU MD1 3 49 THR H 5.010 . 5.010 4.531 4.349 4.727 . 0 0 "[ . 1 . 2]" 1
1056 1 48 LEU MD2 1 49 THR H 5.010 . 5.010 4.501 4.319 4.906 . 0 0 "[ . 1 . 2]" 1
1057 3 48 LEU MD2 3 49 THR H 5.010 . 5.010 4.499 4.329 4.908 . 0 0 "[ . 1 . 2]" 1
1058 1 51 GLU HG3 1 52 VAL H 4.550 . 4.550 4.083 3.430 4.609 0.059 11 0 "[ . 1 . 2]" 1
1059 3 51 GLU HG3 3 52 VAL H 4.550 . 4.550 4.105 3.307 4.618 0.068 11 0 "[ . 1 . 2]" 1
1060 1 52 VAL H 1 52 VAL HB 3.050 . 3.050 2.294 2.216 2.483 . 0 0 "[ . 1 . 2]" 1
1061 3 52 VAL H 3 52 VAL HB 3.050 . 3.050 2.292 2.184 2.467 . 0 0 "[ . 1 . 2]" 1
1062 1 73 GLU HG3 1 74 GLY H 4.740 . 4.740 3.828 2.120 4.787 0.047 9 0 "[ . 1 . 2]" 1
1063 3 73 GLU HG3 3 74 GLY H 4.740 . 4.740 3.785 1.863 4.769 0.029 11 0 "[ . 1 . 2]" 1
1064 1 73 GLU QB 1 74 GLY H 3.410 . 3.410 2.693 2.164 3.453 0.043 4 0 "[ . 1 . 2]" 1
1065 3 73 GLU QB 3 74 GLY H 3.410 . 3.410 2.680 2.138 3.449 0.039 4 0 "[ . 1 . 2]" 1
1066 1 74 GLY H 1 77 LYS QB 4.760 . 4.760 4.670 4.156 4.861 0.101 8 0 "[ . 1 . 2]" 1
1067 3 74 GLY H 3 77 LYS QB 4.760 . 4.760 4.651 4.132 4.880 0.120 8 0 "[ . 1 . 2]" 1
1068 1 74 GLY H 1 77 LYS QD 5.500 . 5.500 5.120 3.933 5.522 0.022 13 0 "[ . 1 . 2]" 1
1069 3 74 GLY H 3 77 LYS QD 5.500 . 5.500 5.020 3.633 5.567 0.067 13 0 "[ . 1 . 2]" 1
1070 1 74 GLY H 1 75 ALA MB 4.650 . 4.650 4.456 4.336 4.579 . 0 0 "[ . 1 . 2]" 1
1071 3 74 GLY H 3 75 ALA MB 4.650 . 4.650 4.458 4.309 4.565 . 0 0 "[ . 1 . 2]" 1
1072 1 64 ALA H 1 66 LYS H 4.520 . 4.520 4.118 3.916 4.305 . 0 0 "[ . 1 . 2]" 1
1073 3 64 ALA H 3 66 LYS H 4.520 . 4.520 4.133 3.965 4.342 . 0 0 "[ . 1 . 2]" 1
1074 1 60 LYS HA 1 64 ALA H 3.910 . 3.910 3.238 3.139 3.327 . 0 0 "[ . 1 . 2]" 1
1075 3 60 LYS HA 3 64 ALA H 3.910 . 3.910 3.238 3.138 3.320 . 0 0 "[ . 1 . 2]" 1
1076 1 61 LYS HA 1 64 ALA H 4.370 . 4.370 3.604 3.397 3.861 . 0 0 "[ . 1 . 2]" 1
1077 3 61 LYS HA 3 64 ALA H 4.370 . 4.370 3.616 3.461 3.884 . 0 0 "[ . 1 . 2]" 1
1078 1 63 ASN HB3 1 64 ALA H 3.730 . 3.730 2.709 2.277 3.289 . 0 0 "[ . 1 . 2]" 1
1079 3 63 ASN HB3 3 64 ALA H 4.230 . 4.230 2.772 2.259 3.444 . 0 0 "[ . 1 . 2]" 1
1080 1 62 GLN QB 1 64 ALA H 5.500 . 5.500 4.682 4.546 4.809 . 0 0 "[ . 1 . 2]" 1
1081 3 62 GLN QB 3 64 ALA H 5.500 . 5.500 4.685 4.554 4.812 . 0 0 "[ . 1 . 2]" 1
1082 1 64 ALA H 1 65 GLU HB2 5.500 . 5.500 5.041 4.771 5.279 . 0 0 "[ . 1 . 2]" 1
1083 3 64 ALA H 3 65 GLU HB2 5.500 . 5.500 5.038 4.844 5.208 . 0 0 "[ . 1 . 2]" 1
1084 1 64 ALA H 1 67 GLN QB 5.500 . 5.500 4.797 4.200 5.646 0.146 9 0 "[ . 1 . 2]" 1
1085 3 64 ALA H 3 67 GLN QB 5.500 . 5.500 4.876 4.091 5.653 0.153 9 0 "[ . 1 . 2]" 1
1086 1 60 LYS QB 1 64 ALA H 4.700 . 4.700 3.848 3.682 3.968 . 0 0 "[ . 1 . 2]" 1
1087 3 60 LYS QB 3 64 ALA H 4.700 . 4.700 3.843 3.651 3.970 . 0 0 "[ . 1 . 2]" 1
1088 1 64 ALA H 1 64 ALA MB 2.960 . 2.960 2.254 2.208 2.297 . 0 0 "[ . 1 . 2]" 1
1089 3 64 ALA H 3 64 ALA MB 2.960 . 2.960 2.254 2.199 2.298 . 0 0 "[ . 1 . 2]" 1
1090 1 59 ILE MG 1 64 ALA H 5.500 . 5.500 5.577 5.525 5.612 0.112 3 0 "[ . 1 . 2]" 1
1091 3 59 ILE MG 3 64 ALA H 5.500 . 5.500 5.583 5.534 5.638 0.138 18 0 "[ . 1 . 2]" 1
1092 1 45 TRP HB3 1 48 LEU H 5.500 . 5.500 5.512 5.465 5.553 0.053 18 0 "[ . 1 . 2]" 1
1093 3 45 TRP HB3 3 48 LEU H 5.500 . 5.500 5.518 5.446 5.563 0.063 11 0 "[ . 1 . 2]" 1
1094 1 56 TYR H 1 56 TYR HE2 5.340 . 5.340 5.132 4.709 5.366 0.026 5 0 "[ . 1 . 2]" 1
1095 3 56 TYR H 3 56 TYR HE2 5.340 . 5.340 5.151 4.764 5.369 0.029 5 0 "[ . 1 . 2]" 1
1096 1 20 ARG HA 3 56 TYR H 5.100 . 5.100 5.179 5.139 5.211 0.111 6 0 "[ . 1 . 2]" 1
1097 1 56 TYR H 3 20 ARG HA 5.100 . 5.100 5.177 5.135 5.211 0.111 6 0 "[ . 1 . 2]" 1
1098 1 52 VAL HA 1 56 TYR H 4.440 . 4.440 3.665 3.464 3.902 . 0 0 "[ . 1 . 2]" 1
1099 3 52 VAL HA 3 56 TYR H 4.440 . 4.440 3.663 3.445 3.872 . 0 0 "[ . 1 . 2]" 1
1100 1 55 GLN QG 1 56 TYR H 4.370 . 4.370 4.213 4.088 4.377 0.007 3 0 "[ . 1 . 2]" 1
1101 3 55 GLN QG 3 56 TYR H 4.370 . 4.370 4.207 4.089 4.369 . 0 0 "[ . 1 . 2]" 1
1102 1 55 GLN QB 1 56 TYR H 3.570 . 3.570 2.462 2.329 2.635 . 0 0 "[ . 1 . 2]" 1
1103 3 55 GLN QB 3 56 TYR H 3.570 . 3.570 2.464 2.336 2.623 . 0 0 "[ . 1 . 2]" 1
1104 1 56 TYR H 1 59 ILE HB 5.500 . 5.500 4.995 4.892 5.072 . 0 0 "[ . 1 . 2]" 1
1105 3 56 TYR H 3 59 ILE HB 5.500 . 5.500 4.984 4.880 5.076 . 0 0 "[ . 1 . 2]" 1
1106 1 52 VAL MG1 1 56 TYR H 4.090 . 4.090 3.488 3.356 3.638 . 0 0 "[ . 1 . 2]" 1
1107 3 52 VAL MG1 3 56 TYR H 4.090 . 4.090 3.487 3.389 3.606 . 0 0 "[ . 1 . 2]" 1
1108 1 56 TYR H 1 59 ILE MD 4.320 . 4.320 3.632 3.546 3.742 . 0 0 "[ . 1 . 2]" 1
1109 3 56 TYR H 3 59 ILE MD 4.320 . 4.320 3.626 3.549 3.768 . 0 0 "[ . 1 . 2]" 1
1110 1 56 TYR H 1 57 TYR H 3.860 . 3.860 2.634 2.551 2.711 . 0 0 "[ . 1 . 2]" 1
1111 3 56 TYR H 3 57 TYR H 3.860 . 3.860 2.633 2.544 2.712 . 0 0 "[ . 1 . 2]" 1
1112 1 56 TYR HD1 1 57 TYR H 4.100 . 4.100 3.644 3.075 4.101 0.001 3 0 "[ . 1 . 2]" 1
1113 3 56 TYR HD1 3 57 TYR H 4.100 . 4.100 3.626 3.026 4.114 0.014 3 0 "[ . 1 . 2]" 1
1114 1 56 TYR HE2 1 57 TYR H 4.990 . 4.990 4.574 4.268 4.824 . 0 0 "[ . 1 . 2]" 1
1115 3 56 TYR HE2 3 57 TYR H 4.990 . 4.990 4.608 4.343 4.897 . 0 0 "[ . 1 . 2]" 1
1116 1 57 TYR H 1 58 ASN HA 5.500 . 5.500 5.285 5.232 5.338 . 0 0 "[ . 1 . 2]" 1
1117 3 57 TYR H 3 58 ASN HA 5.500 . 5.500 5.289 5.195 5.330 . 0 0 "[ . 1 . 2]" 1
1118 1 57 TYR H 1 57 TYR HB2 3.080 . 3.080 2.500 2.415 2.576 . 0 0 "[ . 1 . 2]" 1
1119 3 57 TYR H 3 57 TYR HB2 3.080 . 3.080 2.509 2.429 2.579 . 0 0 "[ . 1 . 2]" 1
1120 1 57 TYR H 1 60 LYS QD 5.500 . 5.500 5.393 4.967 5.557 0.057 4 0 "[ . 1 . 2]" 1
1121 3 57 TYR H 3 60 LYS QD 5.500 . 5.500 5.400 5.014 5.575 0.075 17 0 "[ . 1 . 2]" 1
1122 1 57 TYR H 1 59 ILE HG13 5.500 . 5.500 5.360 5.210 5.475 . 0 0 "[ . 1 . 2]" 1
1123 3 57 TYR H 3 59 ILE HG13 5.500 . 5.500 5.355 5.255 5.458 . 0 0 "[ . 1 . 2]" 1
1124 1 57 TYR H 1 60 LYS HG3 5.500 . 5.500 5.374 5.295 5.509 0.009 12 0 "[ . 1 . 2]" 1
1125 3 57 TYR H 3 60 LYS HG3 5.500 . 5.500 5.378 5.274 5.473 . 0 0 "[ . 1 . 2]" 1
1126 1 57 TYR H 1 59 ILE MD 4.730 . 4.730 4.753 4.728 4.785 0.055 20 0 "[ . 1 . 2]" 1
1127 3 57 TYR H 3 59 ILE MD 4.730 . 4.730 4.752 4.675 4.790 0.060 20 0 "[ . 1 . 2]" 1
1128 1 49 THR MG 1 52 VAL H 5.430 . 5.430 5.459 5.407 5.498 0.068 11 0 "[ . 1 . 2]" 1
1129 3 49 THR MG 3 52 VAL H 5.430 . 5.430 5.460 5.419 5.504 0.074 11 0 "[ . 1 . 2]" 1
1130 1 56 TYR HD1 1 60 LYS H 4.880 . 4.880 4.295 3.954 4.658 . 0 0 "[ . 1 . 2]" 1
1131 3 56 TYR HD1 3 60 LYS H 4.880 . 4.880 4.299 3.954 4.591 . 0 0 "[ . 1 . 2]" 1
1132 1 60 LYS H 1 60 LYS HE2 5.420 . 5.420 4.890 4.584 5.475 0.055 12 0 "[ . 1 . 2]" 1
1133 3 60 LYS H 3 60 LYS HE2 5.420 . 5.420 4.898 4.592 5.472 0.052 18 0 "[ . 1 . 2]" 1
1134 1 60 LYS H 1 60 LYS HE3 5.420 . 5.420 4.712 4.515 5.183 . 0 0 "[ . 1 . 2]" 1
1135 3 60 LYS H 3 60 LYS HE3 5.420 . 5.420 4.718 4.521 5.225 . 0 0 "[ . 1 . 2]" 1
1136 1 60 LYS H 1 60 LYS HG3 3.580 . 3.580 2.901 2.802 3.015 . 0 0 "[ . 1 . 2]" 1
1137 3 60 LYS H 3 60 LYS HG3 3.580 . 3.580 2.903 2.801 3.014 . 0 0 "[ . 1 . 2]" 1
1138 1 59 ILE MG 1 60 LYS H 3.540 . 3.540 3.100 3.009 3.297 . 0 0 "[ . 1 . 2]" 1
1139 3 59 ILE MG 3 60 LYS H 3.540 . 3.540 3.097 3.003 3.238 . 0 0 "[ . 1 . 2]" 1
1140 1 59 ILE HB 1 60 LYS H 3.670 . 3.670 2.422 2.313 2.511 . 0 0 "[ . 1 . 2]" 1
1141 3 59 ILE HB 3 60 LYS H 3.670 . 3.670 2.426 2.325 2.512 . 0 0 "[ . 1 . 2]" 1
1142 1 60 LYS H 1 60 LYS QD 4.390 . 4.390 4.178 3.819 4.322 . 0 0 "[ . 1 . 2]" 1
1143 3 60 LYS H 3 60 LYS QD 4.390 . 4.390 4.182 3.811 4.307 . 0 0 "[ . 1 . 2]" 1
1144 1 58 ASN HA 1 61 LYS H 4.080 . 4.080 3.387 3.057 3.579 . 0 0 "[ . 1 . 2]" 1
1145 3 58 ASN HA 3 61 LYS H 4.080 . 4.080 3.384 3.067 3.539 . 0 0 "[ . 1 . 2]" 1
1146 1 60 LYS HG3 1 61 LYS H 4.360 . 4.360 2.715 2.405 2.857 . 0 0 "[ . 1 . 2]" 1
1147 3 60 LYS HG3 3 61 LYS H 4.360 . 4.360 2.724 2.412 2.896 . 0 0 "[ . 1 . 2]" 1
1148 1 59 ILE MG 1 61 LYS H 4.820 . 4.820 4.793 4.729 4.838 0.018 3 0 "[ . 1 . 2]" 1
1149 3 59 ILE MG 3 61 LYS H 4.820 . 4.820 4.793 4.728 4.839 0.019 16 0 "[ . 1 . 2]" 1
1150 1 61 LYS H 1 61 LYS HG3 4.320 . 4.320 4.203 4.103 4.356 0.036 19 0 "[ . 1 . 2]" 1
1151 3 61 LYS H 3 61 LYS HG3 4.320 . 4.320 4.205 4.085 4.354 0.034 7 0 "[ . 1 . 2]" 1
1152 1 64 ALA H 1 67 GLN H 5.080 . 5.080 4.566 4.447 4.702 . 0 0 "[ . 1 . 2]" 1
1153 3 64 ALA H 3 67 GLN H 5.080 . 5.080 4.571 4.481 4.689 . 0 0 "[ . 1 . 2]" 1
1154 1 63 ASN HA 1 67 GLN H 4.930 . 4.930 3.847 3.631 4.140 . 0 0 "[ . 1 . 2]" 1
1155 3 63 ASN HA 3 67 GLN H 4.930 . 4.930 3.842 3.653 4.136 . 0 0 "[ . 1 . 2]" 1
1156 1 64 ALA HA 1 67 GLN H 3.800 . 3.800 3.440 3.262 3.628 . 0 0 "[ . 1 . 2]" 1
1157 3 64 ALA HA 3 67 GLN H 3.800 . 3.800 3.441 3.223 3.647 . 0 0 "[ . 1 . 2]" 1
1158 1 63 ASN HB3 1 67 GLN H 5.170 . 5.170 5.002 4.552 5.213 0.043 19 0 "[ . 1 . 2]" 1
1159 1 67 GLN H 1 67 GLN HG2 3.730 . 3.730 2.751 2.062 3.861 0.131 20 0 "[ . 1 . 2]" 1
1160 3 67 GLN H 3 67 GLN HG2 3.730 . 3.730 2.725 2.136 3.826 0.096 8 0 "[ . 1 . 2]" 1
1161 1 67 GLN H 1 67 GLN HG3 3.730 . 3.730 3.392 2.235 3.837 0.107 20 0 "[ . 1 . 2]" 1
1162 3 67 GLN H 3 67 GLN HG3 3.730 . 3.730 3.374 2.250 3.826 0.096 8 0 "[ . 1 . 2]" 1
1163 1 65 GLU H 1 66 LYS H 3.300 . 3.300 2.663 2.510 2.811 . 0 0 "[ . 1 . 2]" 1
1164 3 65 GLU H 3 66 LYS H 3.300 . 3.300 2.665 2.509 2.932 . 0 0 "[ . 1 . 2]" 1
1165 1 63 ASN HA 1 66 LYS H 3.910 . 3.910 3.675 3.388 3.941 0.031 10 0 "[ . 1 . 2]" 1
1166 3 63 ASN HA 3 66 LYS H 3.910 . 3.910 3.656 3.283 3.918 0.008 10 0 "[ . 1 . 2]" 1
1167 1 66 LYS H 1 66 LYS QB 2.900 . 2.900 2.305 2.187 2.610 . 0 0 "[ . 1 . 2]" 1
1168 3 66 LYS H 3 66 LYS QB 2.900 . 2.900 2.307 2.203 2.618 . 0 0 "[ . 1 . 2]" 1
1169 1 70 VAL H 1 70 VAL MG1 4.080 . 4.080 2.319 2.053 3.791 . 0 0 "[ . 1 . 2]" 1
1170 3 70 VAL H 3 70 VAL MG1 4.080 . 4.080 2.342 2.065 3.806 . 0 0 "[ . 1 . 2]" 1
1171 1 65 GLU H 1 65 GLU HB2 3.610 . 3.610 2.504 2.307 2.702 . 0 0 "[ . 1 . 2]" 1
1172 3 65 GLU H 3 65 GLU HB2 3.610 . 3.610 2.497 2.353 2.671 . 0 0 "[ . 1 . 2]" 1
1173 1 65 GLU H 1 68 LEU HB2 4.900 . 4.900 4.932 4.837 4.995 0.095 13 0 "[ . 1 . 2]" 1
1174 3 65 GLU H 3 68 LEU HB2 4.900 . 4.900 4.936 4.859 5.009 0.109 20 0 "[ . 1 . 2]" 1
1175 1 64 ALA MB 1 65 GLU H 3.290 . 3.290 2.486 2.384 2.662 . 0 0 "[ . 1 . 2]" 1
1176 3 64 ALA MB 3 65 GLU H 3.290 . 3.290 2.479 2.373 2.671 . 0 0 "[ . 1 . 2]" 1
1177 1 63 ASN H 1 64 ALA H 3.280 . 3.280 2.727 2.651 2.798 . 0 0 "[ . 1 . 2]" 1
1178 3 63 ASN H 3 64 ALA H 3.280 . 3.280 2.726 2.617 2.816 . 0 0 "[ . 1 . 2]" 1
1179 1 64 ALA H 1 65 GLU H 3.510 . 3.510 2.848 2.645 2.949 . 0 0 "[ . 1 . 2]" 1
1180 3 64 ALA H 3 65 GLU H 3.510 . 3.510 2.859 2.662 2.954 . 0 0 "[ . 1 . 2]" 1
1181 1 70 VAL HB 1 71 ALA H 4.020 . 4.020 3.845 2.385 4.084 0.064 6 0 "[ . 1 . 2]" 1
1182 3 70 VAL HB 3 71 ALA H 4.020 . 4.020 3.826 2.226 4.069 0.049 2 0 "[ . 1 . 2]" 1
1183 1 71 ALA H 1 71 ALA MB 2.690 . 2.690 2.246 2.197 2.332 . 0 0 "[ . 1 . 2]" 1
1184 3 71 ALA H 3 71 ALA MB 2.690 . 2.690 2.245 2.177 2.286 . 0 0 "[ . 1 . 2]" 1
1185 1 77 LYS H 1 78 ILE H 2.890 . 2.890 2.567 2.471 2.701 . 0 0 "[ . 1 . 2]" 1
1186 3 77 LYS H 3 78 ILE H 2.890 . 2.890 2.566 2.440 2.666 . 0 0 "[ . 1 . 2]" 1
1187 1 75 ALA HA 1 78 ILE H 3.880 . 3.880 3.593 3.328 3.859 . 0 0 "[ . 1 . 2]" 1
1188 3 75 ALA HA 3 78 ILE H 3.880 . 3.880 3.596 3.355 3.843 . 0 0 "[ . 1 . 2]" 1
1189 1 77 LYS QB 1 78 ILE H 2.950 . 2.950 2.579 2.167 2.956 0.006 6 0 "[ . 1 . 2]" 1
1190 3 77 LYS QB 3 78 ILE H 2.950 . 2.950 2.566 2.130 2.944 . 0 0 "[ . 1 . 2]" 1
1191 1 77 LYS QD 1 78 ILE H 4.460 . 4.460 4.296 3.457 4.537 0.077 20 0 "[ . 1 . 2]" 1
1192 3 77 LYS QD 3 78 ILE H 4.460 . 4.460 4.320 3.713 4.517 0.057 9 0 "[ . 1 . 2]" 1
1193 1 78 ILE H 1 78 ILE HG12 3.250 . 3.250 3.133 1.845 3.299 0.049 10 0 "[ . 1 . 2]" 1
1194 3 78 ILE H 3 78 ILE HG12 3.250 . 3.250 3.143 1.908 3.304 0.054 10 0 "[ . 1 . 2]" 1
1195 1 78 ILE H 1 78 ILE HG13 3.250 . 3.250 1.926 1.676 3.195 . 0 0 "[ . 1 . 2]" 1
1196 3 78 ILE H 3 78 ILE HG13 3.250 . 3.250 1.937 1.663 3.212 . 0 0 "[ . 1 . 2]" 1
1197 1 78 ILE H 1 78 ILE MG 3.830 . 3.830 3.689 2.625 3.836 0.006 6 0 "[ . 1 . 2]" 1
1198 3 78 ILE H 3 78 ILE MG 3.830 . 3.830 3.697 2.615 3.826 . 0 0 "[ . 1 . 2]" 1
1199 1 78 ILE H 1 78 ILE MD 4.150 . 4.150 3.396 2.913 3.535 . 0 0 "[ . 1 . 2]" 1
1200 3 78 ILE H 3 78 ILE MD 4.150 . 4.150 3.405 2.838 3.555 . 0 0 "[ . 1 . 2]" 1
1201 1 76 GLU H 1 78 ILE H 4.440 . 4.440 4.154 4.036 4.404 . 0 0 "[ . 1 . 2]" 1
1202 3 76 GLU H 3 78 ILE H 4.440 . 4.440 4.141 4.005 4.392 . 0 0 "[ . 1 . 2]" 1
1203 1 79 LYS HA 1 80 LYS H 2.910 . 2.910 2.273 1.957 2.736 . 0 0 "[ . 1 . 2]" 1
1204 3 79 LYS HA 3 80 LYS H 2.910 . 2.910 2.252 1.958 2.691 . 0 0 "[ . 1 . 2]" 1
1205 1 80 LYS H 1 80 LYS QG 4.130 . 4.130 2.471 2.026 4.147 0.017 10 0 "[ . 1 . 2]" 1
1206 3 80 LYS H 3 80 LYS QG 4.130 . 4.130 2.491 2.057 4.133 0.003 10 0 "[ . 1 . 2]" 1
1207 1 68 LEU H 1 68 LEU HB3 4.140 . 4.140 3.580 3.542 3.613 . 0 0 "[ . 1 . 2]" 1
1208 3 68 LEU H 3 68 LEU HB3 4.140 . 4.140 3.582 3.536 3.626 . 0 0 "[ . 1 . 2]" 1
1209 1 79 LYS HB3 1 80 LYS H 4.680 . 4.680 3.780 1.908 4.343 . 0 0 "[ . 1 . 2]" 1
1210 3 79 LYS HB3 3 80 LYS H 4.680 . 4.680 3.748 1.924 4.402 . 0 0 "[ . 1 . 2]" 1
1211 1 80 LYS HA 1 81 LYS H 2.820 . 2.820 2.391 1.930 3.180 0.360 10 0 "[ . 1 . 2]" 1
1212 3 80 LYS HA 3 81 LYS H 2.820 . 2.820 2.352 1.925 3.168 0.348 10 0 "[ . 1 . 2]" 1
1213 1 81 LYS H 1 81 LYS QG 3.670 . 3.670 2.352 1.943 3.298 . 0 0 "[ . 1 . 2]" 1
1214 3 81 LYS H 3 81 LYS QG 3.670 . 3.670 2.284 1.955 3.293 . 0 0 "[ . 1 . 2]" 1
1215 1 69 LEU H 1 69 LEU HB2 2.890 . 2.890 2.523 2.373 2.626 . 0 0 "[ . 1 . 2]" 1
1216 3 69 LEU H 3 69 LEU HB2 2.890 . 2.890 2.529 2.398 2.618 . 0 0 "[ . 1 . 2]" 1
1217 1 68 LEU HB2 1 69 LEU H 3.220 . 3.220 2.545 2.400 2.660 . 0 0 "[ . 1 . 2]" 1
1218 3 68 LEU HB2 3 69 LEU H 3.220 . 3.220 2.541 2.442 2.631 . 0 0 "[ . 1 . 2]" 1
1219 1 69 LEU H 1 69 LEU HB3 3.390 . 3.390 2.466 2.395 2.540 . 0 0 "[ . 1 . 2]" 1
1220 3 69 LEU H 3 69 LEU HB3 3.390 . 3.390 2.457 2.355 2.568 . 0 0 "[ . 1 . 2]" 1
1221 1 81 LYS HA 1 82 ARG H 2.920 . 2.920 2.532 2.295 2.812 . 0 0 "[ . 1 . 2]" 1
1222 3 81 LYS HA 3 82 ARG H 2.920 . 2.920 2.499 2.249 2.808 . 0 0 "[ . 1 . 2]" 1
1223 1 82 ARG H 1 82 ARG HB2 3.920 . 3.920 3.092 2.510 3.802 . 0 0 "[ . 1 . 2]" 1
1224 3 82 ARG H 3 82 ARG HB2 3.920 . 3.920 3.086 2.493 3.865 . 0 0 "[ . 1 . 2]" 1
1225 1 82 ARG H 1 82 ARG HB3 3.920 . 3.920 3.140 2.489 3.859 . 0 0 "[ . 1 . 2]" 1
1226 3 82 ARG H 3 82 ARG HB3 3.920 . 3.920 3.126 2.437 3.818 . 0 0 "[ . 1 . 2]" 1
1227 1 81 LYS H 1 82 ARG H 4.720 . 4.720 4.384 4.188 4.599 . 0 0 "[ . 1 . 2]" 1
1228 3 81 LYS H 3 82 ARG H 4.720 . 4.720 4.388 4.214 4.589 . 0 0 "[ . 1 . 2]" 1
1229 1 81 LYS QD 1 82 ARG H 4.440 . 4.440 4.168 3.204 4.517 0.077 10 0 "[ . 1 . 2]" 1
1230 3 81 LYS QD 3 82 ARG H 4.440 . 4.440 4.134 3.285 4.533 0.093 18 0 "[ . 1 . 2]" 1
1231 1 81 LYS QG 1 82 ARG H 4.180 . 4.180 3.261 2.616 4.190 0.010 19 0 "[ . 1 . 2]" 1
1232 3 81 LYS QG 3 82 ARG H 4.180 . 4.180 3.349 2.691 4.229 0.049 8 0 "[ . 1 . 2]" 1
1233 2 17 LEU HA 3 81 LYS H 4.390 . 4.390 3.698 3.047 4.268 . 0 0 "[ . 1 . 2]" 1
1234 1 81 LYS H 4 17 LEU HA 4.390 . 4.390 3.710 3.075 4.427 0.037 14 0 "[ . 1 . 2]" 1
1235 1 29 GLU H 1 30 LEU HB3 5.280 . 5.280 4.890 4.763 5.005 . 0 0 "[ . 1 . 2]" 1
1236 3 29 GLU H 3 30 LEU HB3 5.280 . 5.280 4.906 4.847 4.999 . 0 0 "[ . 1 . 2]" 1
1237 1 27 GLU HA 1 29 GLU H 5.440 . 5.440 4.598 4.472 4.741 . 0 0 "[ . 1 . 2]" 1
1238 3 27 GLU HA 3 29 GLU H 5.440 . 5.440 4.632 4.501 4.754 . 0 0 "[ . 1 . 2]" 1
1239 1 29 GLU H 1 29 GLU QG 3.560 . 3.560 2.489 2.144 3.664 0.104 13 0 "[ . 1 . 2]" 1
1240 3 29 GLU H 3 29 GLU QG 3.560 . 3.560 2.493 2.178 3.664 0.104 13 0 "[ . 1 . 2]" 1
1241 1 28 LYS QB 1 29 GLU H 3.770 . 3.770 3.049 2.347 3.647 . 0 0 "[ . 1 . 2]" 1
1242 3 28 LYS QB 3 29 GLU H 3.770 . 3.770 3.028 2.342 3.604 . 0 0 "[ . 1 . 2]" 1
1243 1 79 LYS HB2 1 80 LYS H 4.680 . 4.680 3.610 2.399 4.558 . 0 0 "[ . 1 . 2]" 1
1244 3 79 LYS HB2 3 80 LYS H 4.680 . 4.680 3.690 2.566 4.462 . 0 0 "[ . 1 . 2]" 1
1245 1 19 VAL H 1 19 VAL HB 3.410 . 3.410 2.415 2.335 2.479 . 0 0 "[ . 1 . 2]" 1
1246 3 19 VAL H 3 19 VAL HB 3.410 . 3.410 2.414 2.313 2.506 . 0 0 "[ . 1 . 2]" 1
1247 1 19 VAL H 1 19 VAL MG2 4.080 . 4.080 3.753 3.706 3.781 . 0 0 "[ . 1 . 2]" 1
1248 3 19 VAL H 3 19 VAL MG2 4.080 . 4.080 3.751 3.690 3.804 . 0 0 "[ . 1 . 2]" 1
1249 1 19 VAL MG2 3 19 VAL H 4.260 . 4.260 3.886 3.706 4.043 . 0 0 "[ . 1 . 2]" 1
1250 1 19 VAL H 3 19 VAL MG2 4.260 . 4.260 3.893 3.720 4.059 . 0 0 "[ . 1 . 2]" 1
1251 1 74 GLY QA 1 75 ALA H 3.130 . 3.130 2.613 2.519 2.707 . 0 0 "[ . 1 . 2]" 1
1252 3 74 GLY QA 3 75 ALA H 3.130 . 3.130 2.608 2.528 2.686 . 0 0 "[ . 1 . 2]" 1
1253 1 75 ALA H 1 75 ALA MB 2.660 . 2.660 2.269 2.222 2.312 . 0 0 "[ . 1 . 2]" 1
1254 3 75 ALA H 3 75 ALA MB 2.660 . 2.660 2.271 2.233 2.305 . 0 0 "[ . 1 . 2]" 1
1255 1 22 ALA H 1 23 LEU H 3.380 . 3.380 2.605 2.562 2.655 . 0 0 "[ . 1 . 2]" 1
1256 3 22 ALA H 3 23 LEU H 3.380 . 3.380 2.609 2.570 2.671 . 0 0 "[ . 1 . 2]" 1
1257 1 20 ARG HA 1 22 ALA H 4.690 . 4.690 4.612 4.372 4.688 . 0 0 "[ . 1 . 2]" 1
1258 3 20 ARG HA 3 22 ALA H 4.690 . 4.690 4.612 4.362 4.693 0.003 11 0 "[ . 1 . 2]" 1
1259 1 19 VAL HA 1 22 ALA H 3.790 . 3.790 3.113 3.005 3.316 . 0 0 "[ . 1 . 2]" 1
1260 3 19 VAL HA 3 22 ALA H 3.790 . 3.790 3.113 3.011 3.345 . 0 0 "[ . 1 . 2]" 1
1261 1 75 ALA H 1 77 LYS QB 5.500 . 5.500 4.829 4.306 5.094 . 0 0 "[ . 1 . 2]" 1
1262 3 75 ALA H 3 77 LYS QB 5.500 . 5.500 4.812 4.263 5.095 . 0 0 "[ . 1 . 2]" 1
1263 1 75 ALA H 1 78 ILE MD 4.460 . 4.460 4.402 4.219 4.492 0.032 12 0 "[ . 1 . 2]" 1
1264 3 75 ALA H 3 78 ILE MD 4.460 . 4.460 4.393 4.106 4.480 0.020 12 0 "[ . 1 . 2]" 1
1265 1 23 LEU H 1 24 ARG H 3.610 . 3.610 2.665 2.611 2.740 . 0 0 "[ . 1 . 2]" 1
1266 3 23 LEU H 3 24 ARG H 3.610 . 3.610 2.663 2.589 2.754 . 0 0 "[ . 1 . 2]" 1
1267 1 24 ARG H 1 25 LYS H 3.440 . 3.440 2.579 2.453 2.656 . 0 0 "[ . 1 . 2]" 1
1268 3 24 ARG H 3 25 LYS H 3.440 . 3.440 2.575 2.465 2.658 . 0 0 "[ . 1 . 2]" 1
1269 1 24 ARG H 1 24 ARG HD2 4.330 . 4.330 2.342 1.928 3.073 . 0 0 "[ . 1 . 2]" 1
1270 3 24 ARG H 3 24 ARG HD2 4.330 . 4.330 2.280 1.915 3.087 . 0 0 "[ . 1 . 2]" 1
1271 1 24 ARG H 1 24 ARG HB2 3.000 . 3.000 2.295 2.144 2.437 . 0 0 "[ . 1 . 2]" 1
1272 3 24 ARG H 3 24 ARG HB2 3.000 . 3.000 2.297 2.135 2.434 . 0 0 "[ . 1 . 2]" 1
1273 1 25 LYS H 1 25 LYS QE 4.740 . 4.740 3.895 3.595 4.307 . 0 0 "[ . 1 . 2]" 1
1274 3 25 LYS H 3 25 LYS QE 4.740 . 4.740 3.893 3.512 4.292 . 0 0 "[ . 1 . 2]" 1
1275 1 24 ARG HB2 1 25 LYS H 3.180 . 3.180 3.055 2.833 3.207 0.027 9 0 "[ . 1 . 2]" 1
1276 3 24 ARG HB2 3 25 LYS H 3.180 . 3.180 3.030 2.790 3.203 0.023 12 0 "[ . 1 . 2]" 1
1277 1 25 LYS H 1 25 LYS HG2 4.540 . 4.540 4.268 3.744 4.459 . 0 0 "[ . 1 . 2]" 1
1278 3 25 LYS H 3 25 LYS HG2 4.540 . 4.540 4.290 3.775 4.459 . 0 0 "[ . 1 . 2]" 1
1279 1 25 LYS H 1 25 LYS HG3 4.540 . 4.540 4.047 2.600 4.400 . 0 0 "[ . 1 . 2]" 1
1280 3 25 LYS H 3 25 LYS HG3 4.540 . 4.540 4.115 2.638 4.422 . 0 0 "[ . 1 . 2]" 1
1281 1 66 LYS H 1 66 LYS QE 5.160 . 5.160 4.336 3.864 4.967 . 0 0 "[ . 1 . 2]" 1
1282 3 66 LYS H 3 66 LYS QE 5.160 . 5.160 4.340 3.923 5.035 . 0 0 "[ . 1 . 2]" 1
1283 1 63 ASN HB3 1 66 LYS H 5.500 . 5.500 5.454 5.260 5.542 0.042 8 0 "[ . 1 . 2]" 1
1284 1 77 LYS H 1 78 ILE MD 5.030 . 5.030 4.901 4.640 5.074 0.044 2 0 "[ . 1 . 2]" 1
1285 3 77 LYS H 3 78 ILE MD 5.030 . 5.030 4.916 4.553 5.078 0.048 7 0 "[ . 1 . 2]" 1
1286 1 44 LYS H 1 46 LEU H 4.690 . 4.690 4.437 4.315 4.537 . 0 0 "[ . 1 . 2]" 1
1287 3 44 LYS H 3 46 LEU H 4.690 . 4.690 4.404 4.274 4.488 . 0 0 "[ . 1 . 2]" 1
1288 1 76 GLU HG2 1 77 LYS H 4.150 . 4.150 3.143 2.403 4.220 0.070 7 0 "[ . 1 . 2]" 1
1289 3 76 GLU HG2 3 77 LYS H 4.150 . 4.150 3.153 2.483 4.212 0.062 7 0 "[ . 1 . 2]" 1
1290 1 44 LYS H 1 44 LYS QG 4.030 . 4.030 3.391 2.196 4.047 0.017 12 0 "[ . 1 . 2]" 1
1291 3 44 LYS H 3 44 LYS QG 4.030 . 4.030 3.396 2.219 4.043 0.013 12 0 "[ . 1 . 2]" 1
1292 1 70 VAL HA 1 73 GLU H 3.980 . 3.980 3.573 3.175 3.766 . 0 0 "[ . 1 . 2]" 1
1293 3 70 VAL HA 3 73 GLU H 3.980 . 3.980 3.613 3.355 3.991 0.011 13 0 "[ . 1 . 2]" 1
1294 1 71 ALA H 1 72 LYS H 3.230 . 3.230 2.559 2.463 2.639 . 0 0 "[ . 1 . 2]" 1
1295 3 71 ALA H 3 72 LYS H 3.230 . 3.230 2.557 2.489 2.659 . 0 0 "[ . 1 . 2]" 1
1296 1 70 VAL HA 1 72 LYS H 4.720 . 4.720 4.405 4.199 4.593 . 0 0 "[ . 1 . 2]" 1
1297 3 70 VAL HA 3 72 LYS H 4.720 . 4.720 4.427 4.258 4.579 . 0 0 "[ . 1 . 2]" 1
1298 1 71 ALA MB 1 72 LYS H 3.190 . 3.190 2.691 2.508 2.883 . 0 0 "[ . 1 . 2]" 1
1299 3 71 ALA MB 3 72 LYS H 3.190 . 3.190 2.685 2.502 2.893 . 0 0 "[ . 1 . 2]" 1
1300 1 70 VAL H 1 71 ALA MB 4.470 . 4.470 4.329 4.244 4.473 0.003 1 0 "[ . 1 . 2]" 1
1301 3 70 VAL H 3 71 ALA MB 4.470 . 4.470 4.324 4.233 4.445 . 0 0 "[ . 1 . 2]" 1
1302 1 63 ASN H 1 63 ASN HB3 3.490 . 3.490 3.050 2.648 3.567 0.077 4 0 "[ . 1 . 2]" 1
1303 3 63 ASN H 3 63 ASN HB3 3.930 . 3.930 3.075 2.576 3.700 . 0 0 "[ . 1 . 2]" 1
1304 1 56 TYR H 1 58 ASN H 4.940 . 4.940 4.392 4.236 4.542 . 0 0 "[ . 1 . 2]" 1
1305 3 56 TYR H 3 58 ASN H 4.940 . 4.940 4.392 4.291 4.499 . 0 0 "[ . 1 . 2]" 1
1306 1 57 TYR HD1 1 58 ASN H 5.120 . 5.120 5.047 4.975 5.143 0.023 17 0 "[ . 1 . 2]" 1
1307 3 57 TYR HD1 3 58 ASN H 5.120 . 5.120 5.044 4.961 5.139 0.019 17 0 "[ . 1 . 2]" 1
1308 1 57 TYR HE2 1 58 ASN H 5.190 . 5.190 5.228 5.136 5.293 0.103 6 0 "[ . 1 . 2]" 1
1309 3 57 TYR HE2 3 58 ASN H 5.190 . 5.190 5.225 5.026 5.282 0.092 6 0 "[ . 1 . 2]" 1
1310 1 24 ARG HA 1 27 GLU H 3.430 . 3.430 3.173 2.907 3.447 0.017 3 0 "[ . 1 . 2]" 1
1311 3 24 ARG HA 3 27 GLU H 3.430 . 3.430 3.179 2.945 3.457 0.027 3 0 "[ . 1 . 2]" 1
1312 1 57 TYR HB3 1 58 ASN H 3.470 . 3.470 2.241 2.112 2.336 . 0 0 "[ . 1 . 2]" 1
1313 3 57 TYR HB3 3 58 ASN H 3.470 . 3.470 2.245 2.147 2.368 . 0 0 "[ . 1 . 2]" 1
1314 1 27 GLU H 1 27 GLU QB 2.900 . 2.900 2.388 2.320 2.446 . 0 0 "[ . 1 . 2]" 1
1315 3 27 GLU H 3 27 GLU QB 2.900 . 2.900 2.396 2.327 2.449 . 0 0 "[ . 1 . 2]" 1
1316 1 62 GLN QB 1 63 ASN H 3.300 . 3.300 2.357 2.213 2.532 . 0 0 "[ . 1 . 2]" 1
1317 3 62 GLN QB 3 63 ASN H 3.300 . 3.300 2.358 2.235 2.592 . 0 0 "[ . 1 . 2]" 1
1318 1 59 ILE MG 1 63 ASN H 4.270 . 4.270 3.891 3.694 4.083 . 0 0 "[ . 1 . 2]" 1
1319 3 59 ILE MG 3 63 ASN H 4.270 . 4.270 3.907 3.734 4.088 . 0 0 "[ . 1 . 2]" 1
1320 1 54 VAL HA 1 58 ASN H 3.980 . 3.980 3.837 3.742 3.957 . 0 0 "[ . 1 . 2]" 1
1321 3 54 VAL HA 3 58 ASN H 3.980 . 3.980 3.831 3.713 3.960 . 0 0 "[ . 1 . 2]" 1
1322 1 26 ALA MB 1 27 GLU H 3.070 . 3.070 2.455 2.376 2.638 . 0 0 "[ . 1 . 2]" 1
1323 3 26 ALA MB 3 27 GLU H 3.070 . 3.070 2.462 2.380 2.624 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ASN H 1 61 LYS HB2 4.670 . 4.670 4.559 4.219 4.714 0.044 3 0 "[ . 1 . 2]" 1
1325 3 58 ASN H 3 61 LYS HB2 4.670 . 4.670 4.553 4.187 4.714 0.044 3 0 "[ . 1 . 2]" 1
1326 1 27 GLU H 1 30 LEU HB3 5.060 . 5.060 5.115 5.089 5.152 0.092 16 0 "[ . 1 . 2]" 1
1327 3 27 GLU H 3 30 LEU HB3 5.060 . 5.060 5.117 5.076 5.149 0.089 12 0 "[ . 1 . 2]" 1
1328 1 10 LYS H 1 10 LYS QE 5.500 . 5.500 4.540 3.661 5.182 . 0 0 "[ . 1 . 2]" 1
1329 3 10 LYS H 3 10 LYS QE 5.500 . 5.500 4.543 3.717 5.244 . 0 0 "[ . 1 . 2]" 1
1330 1 10 LYS H 1 11 TYR HB3 5.500 . 5.500 4.767 4.528 5.025 . 0 0 "[ . 1 . 2]" 1
1331 1 12 ALA H 1 13 GLU HA 5.500 . 5.500 5.447 5.313 5.515 0.015 7 0 "[ . 1 . 2]" 1
1332 3 12 ALA H 3 13 GLU HA 5.500 . 5.500 5.448 5.360 5.510 0.010 7 0 "[ . 1 . 2]" 1
1333 1 15 GLU H 1 15 GLU QG 3.650 . 3.650 2.417 1.990 3.809 0.159 7 0 "[ . 1 . 2]" 1
1334 3 15 GLU H 3 15 GLU QG 3.650 . 3.650 2.447 2.025 3.809 0.159 7 0 "[ . 1 . 2]" 1
1335 3 15 GLU H 3 15 GLU HB2 3.150 . 3.150 2.469 2.035 2.638 . 0 0 "[ . 1 . 2]" 1
1336 1 12 ALA HA 1 15 GLU H 3.990 . 3.990 3.607 3.297 3.792 . 0 0 "[ . 1 . 2]" 1
1337 3 12 ALA HA 3 15 GLU H 3.990 . 3.990 3.607 3.295 3.820 . 0 0 "[ . 1 . 2]" 1
1338 1 72 LYS H 1 72 LYS QB 2.750 . 2.750 2.216 2.067 2.396 . 0 0 "[ . 1 . 2]" 1
1339 3 72 LYS H 3 72 LYS QB 2.750 . 2.750 2.219 2.080 2.377 . 0 0 "[ . 1 . 2]" 1
1340 1 9 GLN H 1 9 GLN QB 3.070 . 3.070 2.663 2.352 3.121 0.051 4 0 "[ . 1 . 2]" 1
1341 3 9 GLN H 3 9 GLN QB 3.070 . 3.070 2.648 2.380 3.121 0.051 4 0 "[ . 1 . 2]" 1
1342 1 16 LEU HB2 1 19 VAL H 5.500 . 5.500 5.367 5.139 5.505 0.005 7 0 "[ . 1 . 2]" 1
1343 3 16 LEU HB2 3 19 VAL H 5.500 . 5.500 5.367 5.042 5.507 0.007 7 0 "[ . 1 . 2]" 1
1344 1 19 VAL H 1 23 LEU H 5.460 . 5.460 5.422 5.360 5.476 0.016 15 0 "[ . 1 . 2]" 1
1345 3 19 VAL H 3 23 LEU H 5.460 . 5.460 5.420 5.349 5.475 0.015 4 0 "[ . 1 . 2]" 1
1346 1 14 GLU H 1 15 GLU H 3.550 . 3.550 2.532 2.423 2.710 . 0 0 "[ . 1 . 2]" 1
1347 3 14 GLU H 3 15 GLU H 3.550 . 3.550 2.589 2.490 2.727 . 0 0 "[ . 1 . 2]" 1
1348 1 69 LEU HA 1 72 LYS H 4.160 . 4.160 3.798 3.611 3.990 . 0 0 "[ . 1 . 2]" 1
1349 3 69 LEU HA 3 72 LYS H 4.160 . 4.160 3.794 3.627 3.925 . 0 0 "[ . 1 . 2]" 1
1350 1 69 LEU HA 1 73 GLU H 4.630 . 4.630 4.076 3.915 4.241 . 0 0 "[ . 1 . 2]" 1
1351 3 69 LEU HA 3 73 GLU H 4.630 . 4.630 4.063 3.880 4.200 . 0 0 "[ . 1 . 2]" 1
1352 1 13 GLU QG 1 14 GLU H 3.640 . 3.640 2.511 2.041 3.703 0.063 5 0 "[ . 1 . 2]" 1
1353 3 13 GLU QG 3 14 GLU H 3.640 . 3.640 2.451 1.999 3.733 0.093 5 0 "[ . 1 . 2]" 1
1354 1 73 GLU H 1 73 GLU HG2 4.040 . 4.040 2.353 2.074 3.320 . 0 0 "[ . 1 . 2]" 1
1355 3 73 GLU H 3 73 GLU HG2 4.040 . 4.040 2.360 2.046 3.299 . 0 0 "[ . 1 . 2]" 1
1356 1 15 GLU H 1 16 LEU H 3.980 . 3.980 2.759 2.593 2.930 . 0 0 "[ . 1 . 2]" 1
1357 3 15 GLU H 3 16 LEU H 3.980 . 3.980 2.769 2.623 2.911 . 0 0 "[ . 1 . 2]" 1
1358 1 17 GLU H 1 18 GLN H 4.010 . 4.010 2.662 2.544 2.756 . 0 0 "[ . 1 . 2]" 1
1359 3 17 GLU H 3 18 GLN H 4.010 . 4.010 2.660 2.563 2.758 . 0 0 "[ . 1 . 2]" 1
1360 1 17 GLU H 1 17 GLU QG 4.100 . 4.100 3.680 2.362 4.034 . 0 0 "[ . 1 . 2]" 1
1361 3 17 GLU H 3 17 GLU QG 4.100 . 4.100 3.688 2.335 4.042 . 0 0 "[ . 1 . 2]" 1
1362 1 52 VAL MG1 3 17 GLU H 3.980 . 3.980 3.620 3.040 4.072 0.092 20 0 "[ . 1 . 2]" 1
1363 1 17 GLU H 3 52 VAL MG1 3.980 . 3.980 3.616 3.011 4.066 0.086 20 0 "[ . 1 . 2]" 1
1364 1 17 GLU H 1 17 GLU HB2 3.390 . 3.390 2.483 2.032 2.660 . 0 0 "[ . 1 . 2]" 1
1365 3 17 GLU H 3 17 GLU HB2 3.390 . 3.390 2.479 2.082 2.648 . 0 0 "[ . 1 . 2]" 1
1366 1 55 GLN H 1 56 TYR H 3.460 . 3.460 2.964 2.911 2.995 . 0 0 "[ . 1 . 2]" 1
1367 3 55 GLN H 3 56 TYR H 3.460 . 3.460 2.967 2.930 3.006 . 0 0 "[ . 1 . 2]" 1
1368 1 19 VAL MG1 1 21 GLU H 4.940 . 4.940 4.547 4.482 4.588 . 0 0 "[ . 1 . 2]" 1
1369 3 19 VAL MG1 3 21 GLU H 4.940 . 4.940 4.550 4.491 4.610 . 0 0 "[ . 1 . 2]" 1
1370 1 19 VAL H 1 21 GLU QG 4.580 . 4.580 4.559 4.427 4.639 0.059 16 0 "[ . 1 . 2]" 1
1371 3 19 VAL H 3 21 GLU QG 4.580 . 4.580 4.555 4.396 4.620 0.040 18 0 "[ . 1 . 2]" 1
1372 1 20 ARG H 1 23 LEU H 4.710 . 4.710 4.689 4.588 4.738 0.028 20 0 "[ . 1 . 2]" 1
1373 3 20 ARG H 3 23 LEU H 4.710 . 4.710 4.693 4.599 4.733 0.023 20 0 "[ . 1 . 2]" 1
1374 1 20 ARG H 1 23 LEU MD2 4.890 . 4.890 4.865 4.774 4.918 0.028 11 0 "[ . 1 . 2]" 1
1375 3 20 ARG H 3 23 LEU MD2 4.890 . 4.890 4.868 4.773 4.917 0.027 11 0 "[ . 1 . 2]" 1
1376 1 22 ALA H 1 23 LEU MD2 5.500 . 5.500 5.596 5.551 5.625 0.125 11 0 "[ . 1 . 2]" 1
1377 3 22 ALA H 3 23 LEU MD2 5.500 . 5.500 5.597 5.551 5.625 0.125 10 0 "[ . 1 . 2]" 1
1378 1 20 ARG QD 1 22 ALA H 5.500 . 5.500 5.165 4.419 5.854 0.354 4 0 "[ . 1 . 2]" 1
1379 3 20 ARG QD 3 22 ALA H 5.500 . 5.500 5.162 4.388 5.853 0.353 4 0 "[ . 1 . 2]" 1
1380 1 75 ALA H 1 77 LYS QE 5.500 . 5.500 5.388 4.998 5.585 0.085 18 0 "[ . 1 . 2]" 1
1381 3 75 ALA H 3 77 LYS QE 5.500 . 5.500 5.371 4.810 5.614 0.114 18 0 "[ . 1 . 2]" 1
1382 1 19 VAL MG1 1 24 ARG H 5.500 . 5.500 5.402 5.246 5.531 0.031 5 0 "[ . 1 . 2]" 1
1383 3 19 VAL MG1 3 24 ARG H 5.500 . 5.500 5.408 5.248 5.528 0.028 5 0 "[ . 1 . 2]" 1
1384 1 42 LEU H 1 45 TRP HE3 5.250 . 5.250 4.917 4.798 5.063 . 0 0 "[ . 1 . 2]" 1
1385 3 42 LEU H 3 45 TRP HE3 5.250 . 5.250 4.926 4.805 5.073 . 0 0 "[ . 1 . 2]" 1
1386 1 42 LEU H 1 43 GLN HA 5.320 . 5.320 5.199 5.141 5.239 . 0 0 "[ . 1 . 2]" 1
1387 3 42 LEU H 3 43 GLN HA 5.320 . 5.320 5.196 5.144 5.253 . 0 0 "[ . 1 . 2]" 1
1388 1 42 LEU H 1 42 LEU HB3 4.060 . 4.060 2.428 2.280 2.503 . 0 0 "[ . 1 . 2]" 1
1389 3 42 LEU H 3 42 LEU HB3 4.060 . 4.060 2.430 2.305 2.499 . 0 0 "[ . 1 . 2]" 1
1390 1 40 GLU QG 1 42 LEU H 4.670 . 4.670 4.504 4.272 4.683 0.013 9 0 "[ . 1 . 2]" 1
1391 3 40 GLU QG 3 42 LEU H 4.670 . 4.670 4.526 4.212 4.697 0.027 9 0 "[ . 1 . 2]" 1
1392 1 30 LEU H 1 45 TRP HE1 5.420 . 5.420 4.996 4.811 5.120 . 0 0 "[ . 1 . 2]" 1
1393 3 30 LEU H 3 45 TRP HE1 5.420 . 5.420 4.997 4.804 5.121 . 0 0 "[ . 1 . 2]" 1
1394 1 31 GLU H 1 32 SER HA 5.480 . 5.480 5.483 5.443 5.509 0.029 3 0 "[ . 1 . 2]" 1
1395 3 31 GLU H 3 32 SER HA 5.480 . 5.480 5.499 5.460 5.524 0.044 1 0 "[ . 1 . 2]" 1
1396 1 36 TRP H 1 37 TYR HB2 5.500 . 5.500 5.882 5.761 6.060 0.560 9 1 "[ . +1 . 2]" 1
1397 3 36 TRP H 3 37 TYR HB2 5.500 . 5.500 5.878 5.788 6.023 0.523 9 1 "[ . +1 . 2]" 1
1398 1 41 ALA H 1 43 GLN H 4.210 . 4.210 3.886 3.705 3.975 . 0 0 "[ . 1 . 2]" 1
1399 3 41 ALA H 3 43 GLN H 4.210 . 4.210 3.893 3.679 3.985 . 0 0 "[ . 1 . 2]" 1
1400 1 79 LYS H 1 79 LYS QD 4.610 . 4.610 4.013 2.168 4.744 0.134 14 0 "[ . 1 . 2]" 1
1401 3 79 LYS H 3 79 LYS QD 4.610 . 4.610 3.987 2.152 4.735 0.125 14 0 "[ . 1 . 2]" 1
1402 1 54 VAL H 1 54 VAL HB 2.570 . 2.570 2.541 2.482 2.571 0.001 19 0 "[ . 1 . 2]" 1
1403 3 54 VAL H 3 54 VAL HB 2.570 . 2.570 2.543 2.508 2.565 . 0 0 "[ . 1 . 2]" 1
1404 1 43 GLN H 1 43 GLN QB 2.810 . 2.810 2.279 2.114 2.460 . 0 0 "[ . 1 . 2]" 1
1405 3 43 GLN H 3 43 GLN QB 2.810 . 2.810 2.278 2.114 2.466 . 0 0 "[ . 1 . 2]" 1
1406 1 44 LYS H 1 45 TRP H 3.370 . 3.370 2.714 2.558 2.820 . 0 0 "[ . 1 . 2]" 1
1407 3 44 LYS H 3 45 TRP H 3.370 . 3.370 2.696 2.533 2.768 . 0 0 "[ . 1 . 2]" 1
1408 1 43 GLN H 1 45 TRP H 4.610 . 4.610 4.152 4.009 4.262 . 0 0 "[ . 1 . 2]" 1
1409 3 43 GLN H 3 45 TRP H 4.610 . 4.610 4.146 4.036 4.261 . 0 0 "[ . 1 . 2]" 1
1410 1 45 TRP H 1 47 GLN H 4.960 . 4.960 4.126 3.972 4.254 . 0 0 "[ . 1 . 2]" 1
1411 3 45 TRP H 3 47 GLN H 4.960 . 4.960 4.123 3.968 4.241 . 0 0 "[ . 1 . 2]" 1
1412 1 43 GLN QB 1 44 LYS H 3.150 . 3.150 2.384 2.188 2.601 . 0 0 "[ . 1 . 2]" 1
1413 3 43 GLN QB 3 44 LYS H 3.150 . 3.150 2.409 2.163 2.713 . 0 0 "[ . 1 . 2]" 1
1414 1 45 TRP HZ3 1 46 LEU H 5.500 . 5.500 4.456 4.257 4.687 . 0 0 "[ . 1 . 2]" 1
1415 3 45 TRP HZ3 3 46 LEU H 5.500 . 5.500 4.475 4.270 4.703 . 0 0 "[ . 1 . 2]" 1
1416 1 17 GLU H 1 17 GLU HB3 3.390 . 3.390 2.754 2.453 3.505 0.115 20 0 "[ . 1 . 2]" 1
1417 3 17 GLU H 3 17 GLU HB3 3.390 . 3.390 2.760 2.486 3.507 0.117 20 0 "[ . 1 . 2]" 1
1418 1 49 THR HB 1 52 VAL H 5.500 . 5.500 5.564 5.547 5.588 0.088 1 0 "[ . 1 . 2]" 1
1419 3 49 THR HB 3 52 VAL H 5.500 . 5.500 5.565 5.543 5.584 0.084 11 0 "[ . 1 . 2]" 1
1420 1 51 GLU HG2 1 52 VAL H 4.550 . 4.550 4.013 3.381 4.591 0.041 19 0 "[ . 1 . 2]" 1
1421 3 51 GLU HG2 3 52 VAL H 4.550 . 4.550 4.020 3.476 4.584 0.034 9 0 "[ . 1 . 2]" 1
1422 1 16 LEU HB2 3 52 VAL H 5.280 . 5.280 5.282 4.803 5.389 0.109 12 0 "[ . 1 . 2]" 1
1423 1 52 VAL H 3 16 LEU HB2 5.280 . 5.280 5.286 4.844 5.388 0.108 2 0 "[ . 1 . 2]" 1
1424 1 52 VAL H 1 53 GLU H 3.540 . 3.540 2.476 2.396 2.581 . 0 0 "[ . 1 . 2]" 1
1425 3 52 VAL H 3 53 GLU H 3.540 . 3.540 2.470 2.394 2.555 . 0 0 "[ . 1 . 2]" 1
1426 1 52 VAL HB 1 53 GLU H 3.090 . 3.090 2.822 2.727 2.921 . 0 0 "[ . 1 . 2]" 1
1427 3 52 VAL HB 3 53 GLU H 3.090 . 3.090 2.826 2.726 2.934 . 0 0 "[ . 1 . 2]" 1
1428 1 53 GLU H 1 53 GLU QB 3.210 . 3.210 2.108 1.964 2.208 . 0 0 "[ . 1 . 2]" 1
1429 3 53 GLU H 3 53 GLU QB 3.210 . 3.210 2.114 1.971 2.230 . 0 0 "[ . 1 . 2]" 1
1430 1 50 HIS HA 1 53 GLU H 4.280 . 4.280 3.327 3.121 3.494 . 0 0 "[ . 1 . 2]" 1
1431 3 50 HIS HA 3 53 GLU H 4.280 . 4.280 3.333 3.126 3.501 . 0 0 "[ . 1 . 2]" 1
1432 1 42 LEU MD2 1 43 GLN H 3.330 . 3.330 2.945 2.650 3.084 . 0 0 "[ . 1 . 2]" 1
1433 3 42 LEU MD2 3 43 GLN H 3.330 . 3.330 2.910 2.650 3.114 . 0 0 "[ . 1 . 2]" 1
1434 1 54 VAL H 1 54 VAL MG2 3.030 . 3.030 2.140 2.099 2.201 . 0 0 "[ . 1 . 2]" 1
1435 3 54 VAL H 3 54 VAL MG2 3.030 . 3.030 2.141 2.092 2.199 . 0 0 "[ . 1 . 2]" 1
1436 1 54 VAL H 1 56 TYR H 5.410 . 5.410 4.664 4.555 4.746 . 0 0 "[ . 1 . 2]" 1
1437 3 54 VAL H 3 56 TYR H 5.410 . 5.410 4.659 4.565 4.743 . 0 0 "[ . 1 . 2]" 1
1438 1 54 VAL HA 1 56 TYR H 5.090 . 5.090 4.873 4.741 5.029 . 0 0 "[ . 1 . 2]" 1
1439 3 54 VAL HA 3 56 TYR H 5.090 . 5.090 4.877 4.737 5.028 . 0 0 "[ . 1 . 2]" 1
1440 1 58 ASN H 1 58 ASN HB2 3.520 . 3.520 2.350 2.252 2.479 . 0 0 "[ . 1 . 2]" 1
1441 3 58 ASN H 3 58 ASN HB2 3.520 . 3.520 2.342 2.230 2.433 . 0 0 "[ . 1 . 2]" 1
1442 1 27 GLU H 1 27 GLU HG2 3.600 . 3.600 3.511 3.419 3.605 0.005 14 0 "[ . 1 . 2]" 1
1443 1 57 TYR H 1 58 ASN H 3.600 . 3.600 2.773 2.681 2.839 . 0 0 "[ . 1 . 2]" 1
1444 3 57 TYR H 3 58 ASN H 3.600 . 3.600 2.770 2.631 2.839 . 0 0 "[ . 1 . 2]" 1
1445 1 26 ALA H 1 27 GLU H 3.320 . 3.320 2.750 2.653 2.813 . 0 0 "[ . 1 . 2]" 1
1446 3 26 ALA H 3 27 GLU H 3.320 . 3.320 2.758 2.637 2.830 . 0 0 "[ . 1 . 2]" 1
1447 1 56 TYR HA 1 59 ILE H 3.790 . 3.790 3.496 3.421 3.561 . 0 0 "[ . 1 . 2]" 1
1448 3 56 TYR HA 3 59 ILE H 3.790 . 3.790 3.501 3.436 3.573 . 0 0 "[ . 1 . 2]" 1
1449 1 59 ILE H 1 59 ILE HB 3.340 . 3.340 2.427 2.361 2.485 . 0 0 "[ . 1 . 2]" 1
1450 3 59 ILE H 3 59 ILE HB 3.340 . 3.340 2.426 2.343 2.500 . 0 0 "[ . 1 . 2]" 1
1451 1 59 ILE H 1 60 LYS H 3.920 . 3.920 2.794 2.730 2.841 . 0 0 "[ . 1 . 2]" 1
1452 3 59 ILE H 3 60 LYS H 3.920 . 3.920 2.796 2.710 2.874 . 0 0 "[ . 1 . 2]" 1
1453 1 57 TYR HA 1 59 ILE H 4.460 . 4.460 4.485 4.429 4.519 0.059 1 0 "[ . 1 . 2]" 1
1454 3 57 TYR HA 3 59 ILE H 4.460 . 4.460 4.485 4.466 4.513 0.053 4 0 "[ . 1 . 2]" 1
1455 1 57 TYR HB3 1 59 ILE H 4.850 . 4.850 4.681 4.601 4.833 . 0 0 "[ . 1 . 2]" 1
1456 3 57 TYR HB3 3 59 ILE H 4.850 . 4.850 4.686 4.624 4.810 . 0 0 "[ . 1 . 2]" 1
1457 1 57 TYR H 1 59 ILE H 5.090 . 5.090 4.036 3.950 4.101 . 0 0 "[ . 1 . 2]" 1
1458 3 57 TYR H 3 59 ILE H 5.090 . 5.090 4.031 3.976 4.079 . 0 0 "[ . 1 . 2]" 1
1459 1 56 TYR H 1 59 ILE H 4.770 . 4.770 4.758 4.711 4.796 0.026 11 0 "[ . 1 . 2]" 1
1460 3 56 TYR H 3 59 ILE H 4.770 . 4.770 4.751 4.707 4.794 0.024 5 0 "[ . 1 . 2]" 1
1461 1 57 TYR H 1 60 LYS H 5.110 . 5.110 4.827 4.713 4.917 . 0 0 "[ . 1 . 2]" 1
1462 3 57 TYR H 3 60 LYS H 5.110 . 5.110 4.822 4.716 4.903 . 0 0 "[ . 1 . 2]" 1
1463 1 57 TYR HA 1 60 LYS H 4.190 . 4.190 3.877 3.710 4.012 . 0 0 "[ . 1 . 2]" 1
1464 3 57 TYR HA 3 60 LYS H 4.190 . 4.190 3.867 3.680 3.997 . 0 0 "[ . 1 . 2]" 1
1465 1 61 LYS H 1 61 LYS HD2 3.800 . 3.800 2.875 2.233 3.447 . 0 0 "[ . 1 . 2]" 1
1466 3 61 LYS H 3 61 LYS HD2 3.800 . 3.800 2.877 2.177 3.542 . 0 0 "[ . 1 . 2]" 1
1467 1 60 LYS H 1 61 LYS H 3.270 . 3.270 2.622 2.533 2.670 . 0 0 "[ . 1 . 2]" 1
1468 3 60 LYS H 3 61 LYS H 3.270 . 3.270 2.620 2.524 2.688 . 0 0 "[ . 1 . 2]" 1
1469 1 61 LYS H 1 61 LYS QE 4.610 . 4.610 2.863 2.607 3.316 . 0 0 "[ . 1 . 2]" 1
1470 3 61 LYS H 3 61 LYS QE 4.610 . 4.610 2.882 2.619 3.356 . 0 0 "[ . 1 . 2]" 1
1471 1 60 LYS HG3 1 64 ALA H 5.450 . 5.450 5.433 5.177 5.513 0.063 4 0 "[ . 1 . 2]" 1
1472 3 60 LYS HG3 3 64 ALA H 5.450 . 5.450 5.431 5.187 5.505 0.055 4 0 "[ . 1 . 2]" 1
1473 1 65 GLU H 1 68 LEU HG 5.500 . 5.500 4.885 4.621 5.250 . 0 0 "[ . 1 . 2]" 1
1474 3 65 GLU H 3 68 LEU HG 5.500 . 5.500 4.881 4.610 5.241 . 0 0 "[ . 1 . 2]" 1
1475 1 61 LYS HG3 1 65 GLU H 5.370 . 5.370 5.369 4.906 5.452 0.082 16 0 "[ . 1 . 2]" 1
1476 3 61 LYS HG3 3 65 GLU H 5.370 . 5.370 5.373 4.959 5.443 0.073 16 0 "[ . 1 . 2]" 1
1477 1 29 GLU H 1 30 LEU H 3.450 . 3.450 2.513 2.452 2.703 . 0 0 "[ . 1 . 2]" 1
1478 3 29 GLU H 3 30 LEU H 3.450 . 3.450 2.527 2.462 2.722 . 0 0 "[ . 1 . 2]" 1
1479 1 29 GLU H 1 29 GLU HB3 3.090 . 3.090 2.491 1.946 2.626 . 0 0 "[ . 1 . 2]" 1
1480 3 29 GLU H 3 29 GLU HB3 3.090 . 3.090 2.481 1.945 2.638 . 0 0 "[ . 1 . 2]" 1
1481 1 69 LEU H 1 72 LYS H 4.800 . 4.800 4.669 4.565 4.765 . 0 0 "[ . 1 . 2]" 1
1482 3 69 LEU H 3 72 LYS H 4.800 . 4.800 4.678 4.595 4.758 . 0 0 "[ . 1 . 2]" 1
1483 1 69 LEU HB3 1 71 ALA H 5.230 . 5.230 4.971 4.865 5.107 . 0 0 "[ . 1 . 2]" 1
1484 3 69 LEU HB3 3 71 ALA H 5.230 . 5.230 4.971 4.848 5.134 . 0 0 "[ . 1 . 2]" 1
1485 1 11 TYR HB3 1 14 GLU H 5.500 . 5.500 5.574 5.523 5.632 0.132 18 0 "[ . 1 . 2]" 1
1486 1 72 LYS H 1 72 LYS QE 5.500 . 5.500 4.429 3.807 5.651 0.151 18 0 "[ . 1 . 2]" 1
1487 3 72 LYS H 3 72 LYS QE 5.500 . 5.500 4.439 3.901 5.647 0.147 20 0 "[ . 1 . 2]" 1
1488 1 73 GLU H 1 73 GLU QB 3.070 . 3.070 2.465 2.215 2.862 . 0 0 "[ . 1 . 2]" 1
1489 3 73 GLU H 3 73 GLU QB 3.070 . 3.070 2.471 2.266 2.820 . 0 0 "[ . 1 . 2]" 1
1490 1 73 GLU H 1 73 GLU HG3 4.040 . 4.040 3.425 2.101 3.769 . 0 0 "[ . 1 . 2]" 1
1491 3 73 GLU H 3 73 GLU HG3 4.040 . 4.040 3.399 2.127 3.757 . 0 0 "[ . 1 . 2]" 1
1492 1 55 GLN H 1 57 TYR H 4.570 . 4.570 4.042 3.979 4.112 . 0 0 "[ . 1 . 2]" 1
1493 3 55 GLN H 3 57 TYR H 4.570 . 4.570 4.044 3.992 4.112 . 0 0 "[ . 1 . 2]" 1
1494 1 73 GLU HG2 1 74 GLY H 4.740 . 4.740 3.841 2.573 4.770 0.030 15 0 "[ . 1 . 2]" 1
1495 3 73 GLU HG2 3 74 GLY H 4.740 . 4.740 3.862 2.769 4.753 0.013 15 0 "[ . 1 . 2]" 1
1496 1 74 GLY H 1 75 ALA H 3.060 . 3.060 2.741 2.631 2.879 . 0 0 "[ . 1 . 2]" 1
1497 3 74 GLY H 3 75 ALA H 3.060 . 3.060 2.740 2.619 2.847 . 0 0 "[ . 1 . 2]" 1
1498 1 75 ALA H 1 78 ILE H 5.230 . 5.230 4.683 4.587 4.814 . 0 0 "[ . 1 . 2]" 1
1499 3 75 ALA H 3 78 ILE H 5.230 . 5.230 4.676 4.603 4.804 . 0 0 "[ . 1 . 2]" 1
1500 1 75 ALA H 1 77 LYS QD 5.500 . 5.500 5.555 5.163 5.618 0.118 5 0 "[ . 1 . 2]" 1
1501 3 75 ALA H 3 77 LYS QD 5.500 . 5.500 5.553 4.803 5.664 0.164 9 0 "[ . 1 . 2]" 1
1502 1 74 GLY QA 1 76 GLU H 4.340 . 4.340 4.036 3.934 4.204 . 0 0 "[ . 1 . 2]" 1
1503 3 74 GLY QA 3 76 GLU H 4.340 . 4.340 4.031 3.898 4.149 . 0 0 "[ . 1 . 2]" 1
1504 1 76 GLU H 1 77 LYS QE 5.500 . 5.500 4.875 4.187 5.521 0.021 20 0 "[ . 1 . 2]" 1
1505 3 76 GLU H 3 77 LYS QE 5.500 . 5.500 4.845 4.155 5.556 0.056 18 0 "[ . 1 . 2]" 1
1506 1 31 GLU H 1 46 LEU MD2 5.500 . 5.500 5.595 5.546 5.629 0.129 1 0 "[ . 1 . 2]" 1
1507 3 31 GLU H 3 46 LEU MD2 5.500 . 5.500 5.593 5.548 5.628 0.128 3 0 "[ . 1 . 2]" 1
1508 1 76 GLU H 1 78 ILE MD 5.500 . 5.500 5.501 5.063 5.632 0.132 15 0 "[ . 1 . 2]" 1
1509 3 76 GLU H 3 78 ILE MD 5.500 . 5.500 5.507 4.987 5.628 0.128 15 0 "[ . 1 . 2]" 1
1510 1 75 ALA H 1 76 GLU H 3.270 . 3.270 2.622 2.422 2.827 . 0 0 "[ . 1 . 2]" 1
1511 3 75 ALA H 3 76 GLU H 3.270 . 3.270 2.630 2.475 2.824 . 0 0 "[ . 1 . 2]" 1
1512 1 77 LYS H 1 77 LYS QB 2.680 . 2.680 2.183 2.063 2.410 . 0 0 "[ . 1 . 2]" 1
1513 3 77 LYS H 3 77 LYS QB 2.680 . 2.680 2.176 2.013 2.373 . 0 0 "[ . 1 . 2]" 1
1514 1 76 GLU HG3 1 77 LYS H 4.150 . 4.150 2.681 2.187 3.053 . 0 0 "[ . 1 . 2]" 1
1515 3 76 GLU HG3 3 77 LYS H 4.150 . 4.150 2.619 2.244 3.058 . 0 0 "[ . 1 . 2]" 1
1516 1 74 GLY H 1 77 LYS H 4.860 . 4.860 4.743 4.576 4.843 . 0 0 "[ . 1 . 2]" 1
1517 3 74 GLY H 3 77 LYS H 4.860 . 4.860 4.758 4.611 4.839 . 0 0 "[ . 1 . 2]" 1
1518 1 77 LYS QE 1 78 ILE H 5.500 . 5.500 5.110 4.085 5.543 0.043 6 0 "[ . 1 . 2]" 1
1519 3 77 LYS QE 3 78 ILE H 5.500 . 5.500 5.060 3.410 5.561 0.061 7 0 "[ . 1 . 2]" 1
1520 1 66 LYS QE 1 67 GLN H 5.500 . 5.500 4.777 2.640 5.151 . 0 0 "[ . 1 . 2]" 1
1521 3 66 LYS QE 3 67 GLN H 5.500 . 5.500 4.790 2.432 5.185 . 0 0 "[ . 1 . 2]" 1
1522 1 7 SER HA 1 10 LYS QB 5.060 . 5.060 4.442 3.669 5.101 0.041 16 0 "[ . 1 . 2]" 1
1523 3 7 SER HA 3 10 LYS QB 5.060 . 5.060 4.447 3.722 5.095 0.035 11 0 "[ . 1 . 2]" 1
1524 1 11 TYR HA 1 14 GLU H 4.100 . 4.100 3.359 3.272 3.528 . 0 0 "[ . 1 . 2]" 1
1525 3 11 TYR HA 3 14 GLU H 4.100 . 4.100 3.479 3.357 3.734 . 0 0 "[ . 1 . 2]" 1
1526 1 11 TYR HA 1 12 ALA MB 4.930 . 4.930 4.864 4.807 4.915 . 0 0 "[ . 1 . 2]" 1
1527 3 11 TYR HA 3 12 ALA MB 4.930 . 4.930 4.877 4.829 4.931 0.001 18 0 "[ . 1 . 2]" 1
1528 1 11 TYR HB2 1 11 TYR HD1 3.380 . 3.380 2.469 2.371 2.645 . 0 0 "[ . 1 . 2]" 1
1529 1 12 ALA HA 1 15 GLU QG 4.330 . 4.330 3.402 2.630 4.346 0.016 16 0 "[ . 1 . 2]" 1
1530 3 12 ALA HA 3 15 GLU QG 4.330 . 4.330 3.460 2.633 4.337 0.007 12 0 "[ . 1 . 2]" 1
1531 3 12 ALA HA 3 15 GLU HB2 3.840 . 3.840 2.829 2.339 3.486 . 0 0 "[ . 1 . 2]" 1
1532 1 12 ALA HA 1 16 LEU H 4.270 . 4.270 3.813 3.640 3.997 . 0 0 "[ . 1 . 2]" 1
1533 3 12 ALA HA 3 16 LEU H 4.270 . 4.270 3.805 3.623 3.994 . 0 0 "[ . 1 . 2]" 1
1534 1 18 GLN H 1 19 VAL HB 4.880 . 4.880 4.910 4.890 4.936 0.056 11 0 "[ . 1 . 2]" 1
1535 3 18 GLN H 3 19 VAL HB 4.880 . 4.880 4.911 4.892 4.938 0.058 11 0 "[ . 1 . 2]" 1
1536 1 19 VAL HB 1 22 ALA MB 4.620 . 4.620 4.280 4.191 4.365 . 0 0 "[ . 1 . 2]" 1
1537 3 19 VAL HB 3 22 ALA MB 4.620 . 4.620 4.280 4.195 4.374 . 0 0 "[ . 1 . 2]" 1
1538 1 19 VAL HA 1 19 VAL MG1 3.190 . 3.190 3.184 3.158 3.202 0.012 18 0 "[ . 1 . 2]" 1
1539 3 19 VAL HA 3 19 VAL MG1 3.190 . 3.190 3.184 3.153 3.201 0.011 8 0 "[ . 1 . 2]" 1
1540 1 19 VAL H 1 19 VAL MG1 3.060 . 3.060 2.442 2.354 2.541 . 0 0 "[ . 1 . 2]" 1
1541 3 19 VAL H 3 19 VAL MG1 3.060 . 3.060 2.438 2.329 2.539 . 0 0 "[ . 1 . 2]" 1
1542 1 56 TYR HA 3 20 ARG HA 4.360 . 4.360 4.426 4.365 4.506 0.146 15 0 "[ . 1 . 2]" 1
1543 1 20 ARG HA 3 56 TYR HA 4.360 . 4.360 4.419 4.330 4.519 0.159 15 0 "[ . 1 . 2]" 1
1544 1 20 ARG HA 1 20 ARG QD 4.560 . 4.560 3.919 3.495 4.189 . 0 0 "[ . 1 . 2]" 1
1545 3 20 ARG HA 3 20 ARG QD 4.560 . 4.560 3.918 3.445 4.201 . 0 0 "[ . 1 . 2]" 1
1546 1 20 ARG HA 1 20 ARG HG2 3.930 . 3.930 2.905 2.532 3.216 . 0 0 "[ . 1 . 2]" 1
1547 3 20 ARG HA 3 20 ARG HG2 3.930 . 3.930 2.906 2.543 3.196 . 0 0 "[ . 1 . 2]" 1
1548 1 52 VAL MG1 3 20 ARG HA 4.330 . 4.330 3.833 3.525 4.114 . 0 0 "[ . 1 . 2]" 1
1549 1 20 ARG HA 3 52 VAL MG1 4.330 . 4.330 3.841 3.532 4.150 . 0 0 "[ . 1 . 2]" 1
1550 1 59 ILE MD 3 20 ARG HA 4.790 . 4.790 4.628 4.316 4.806 0.016 3 0 "[ . 1 . 2]" 1
1551 1 20 ARG HA 3 59 ILE MD 4.790 . 4.790 4.622 4.315 4.826 0.036 3 0 "[ . 1 . 2]" 1
1552 1 20 ARG HA 1 23 LEU MD2 3.680 . 3.680 3.632 3.349 3.717 0.037 19 0 "[ . 1 . 2]" 1
1553 3 20 ARG HA 3 23 LEU MD2 3.680 . 3.680 3.642 3.356 3.736 0.056 9 0 "[ . 1 . 2]" 1
1554 1 19 VAL MG1 1 22 ALA MB 4.370 . 4.370 4.441 4.398 4.481 0.111 9 0 "[ . 1 . 2]" 1
1555 3 19 VAL MG1 3 22 ALA MB 4.370 . 4.370 4.443 4.397 4.491 0.121 9 0 "[ . 1 . 2]" 1
1556 1 22 ALA MB 1 23 LEU HB2 4.600 . 4.600 3.882 3.762 4.136 . 0 0 "[ . 1 . 2]" 1
1557 3 22 ALA MB 3 23 LEU HB2 4.600 . 4.600 3.875 3.745 4.094 . 0 0 "[ . 1 . 2]" 1
1558 1 18 GLN HB3 1 22 ALA MB 3.770 . 3.770 3.576 3.388 3.749 . 0 0 "[ . 1 . 2]" 1
1559 3 18 GLN HB3 3 22 ALA MB 3.770 . 3.770 3.569 3.306 3.771 0.001 14 0 "[ . 1 . 2]" 1
1560 1 21 GLU QG 1 22 ALA MB 3.980 . 3.980 3.182 2.969 3.435 . 0 0 "[ . 1 . 2]" 1
1561 3 21 GLU QG 3 22 ALA MB 3.980 . 3.980 3.190 2.900 3.482 . 0 0 "[ . 1 . 2]" 1
1562 1 19 VAL HA 1 22 ALA MB 3.100 . 3.100 2.053 1.984 2.109 . 0 0 "[ . 1 . 2]" 1
1563 3 19 VAL HA 3 22 ALA MB 3.100 . 3.100 2.060 2.014 2.114 . 0 0 "[ . 1 . 2]" 1
1564 1 20 ARG HA 1 22 ALA MB 5.280 . 5.280 5.345 5.303 5.384 0.104 8 0 "[ . 1 . 2]" 1
1565 3 20 ARG HA 3 22 ALA MB 5.280 . 5.280 5.344 5.293 5.377 0.097 19 0 "[ . 1 . 2]" 1
1566 1 22 ALA H 1 22 ALA MB 2.830 . 2.830 2.207 2.158 2.374 . 0 0 "[ . 1 . 2]" 1
1567 3 22 ALA H 3 22 ALA MB 2.830 . 2.830 2.207 2.157 2.382 . 0 0 "[ . 1 . 2]" 1
1568 1 22 ALA MB 1 23 LEU H 3.290 . 3.290 2.178 2.125 2.309 . 0 0 "[ . 1 . 2]" 1
1569 3 22 ALA MB 3 23 LEU H 3.290 . 3.290 2.168 2.106 2.283 . 0 0 "[ . 1 . 2]" 1
1570 1 23 LEU HB3 1 23 LEU MD1 3.170 . 3.170 3.159 3.147 3.176 0.006 7 0 "[ . 1 . 2]" 1
1571 3 23 LEU HB3 3 23 LEU MD1 3.170 . 3.170 3.158 3.145 3.171 0.001 18 0 "[ . 1 . 2]" 1
1572 1 23 LEU MD1 1 27 GLU HG2 3.890 . 3.890 3.137 2.974 3.302 . 0 0 "[ . 1 . 2]" 1
1573 1 23 LEU MD1 1 49 THR HA 3.850 . 3.850 3.669 3.396 3.905 0.055 4 0 "[ . 1 . 2]" 1
1574 3 23 LEU MD1 3 49 THR HA 3.850 . 3.850 3.663 3.361 3.902 0.052 4 0 "[ . 1 . 2]" 1
1575 1 23 LEU MD1 1 49 THR HB 3.560 . 3.560 3.453 3.065 3.590 0.030 7 0 "[ . 1 . 2]" 1
1576 3 23 LEU MD1 3 49 THR HB 3.560 . 3.560 3.456 3.145 3.592 0.032 7 0 "[ . 1 . 2]" 1
1577 1 23 LEU HA 1 23 LEU MD1 3.940 . 3.940 2.668 2.553 2.787 . 0 0 "[ . 1 . 2]" 1
1578 3 23 LEU HA 3 23 LEU MD1 3.940 . 3.940 2.673 2.555 2.793 . 0 0 "[ . 1 . 2]" 1
1579 1 23 LEU MD1 1 24 ARG HA 4.470 . 4.470 3.849 3.627 4.181 . 0 0 "[ . 1 . 2]" 1
1580 3 23 LEU MD1 3 24 ARG HA 4.470 . 4.470 3.859 3.673 4.199 . 0 0 "[ . 1 . 2]" 1
1581 1 16 LEU H 3 23 LEU MD1 4.780 . 4.780 4.118 3.494 4.507 . 0 0 "[ . 1 . 2]" 1
1582 1 23 LEU MD1 3 16 LEU H 4.780 . 4.780 4.107 3.484 4.448 . 0 0 "[ . 1 . 2]" 1
1583 1 23 LEU MD1 1 49 THR H 5.500 . 5.500 5.253 4.985 5.441 . 0 0 "[ . 1 . 2]" 1
1584 3 23 LEU MD1 3 49 THR H 5.500 . 5.500 5.247 4.984 5.446 . 0 0 "[ . 1 . 2]" 1
1585 1 23 LEU MD1 1 24 ARG H 4.600 . 4.600 4.185 4.063 4.302 . 0 0 "[ . 1 . 2]" 1
1586 3 23 LEU MD1 3 24 ARG H 4.600 . 4.600 4.187 4.089 4.318 . 0 0 "[ . 1 . 2]" 1
1587 1 23 LEU H 1 23 LEU MD1 4.550 . 4.550 4.311 4.275 4.346 . 0 0 "[ . 1 . 2]" 1
1588 3 23 LEU H 3 23 LEU MD1 4.550 . 4.550 4.311 4.273 4.339 . 0 0 "[ . 1 . 2]" 1
1589 1 23 LEU HB3 1 23 LEU MD2 2.970 . 2.970 2.097 2.044 2.134 . 0 0 "[ . 1 . 2]" 1
1590 3 23 LEU HB3 3 23 LEU MD2 2.970 . 2.970 2.097 2.047 2.125 . 0 0 "[ . 1 . 2]" 1
1591 1 16 LEU HB3 3 23 LEU MD2 3.290 . 3.290 2.047 1.825 2.412 . 0 0 "[ . 1 . 2]" 1
1592 1 23 LEU MD2 3 16 LEU HB3 3.290 . 3.290 2.049 1.834 2.405 . 0 0 "[ . 1 . 2]" 1
1593 1 23 LEU HB2 1 23 LEU MD2 3.420 . 3.420 2.410 2.329 2.469 . 0 0 "[ . 1 . 2]" 1
1594 3 23 LEU HB2 3 23 LEU MD2 3.420 . 3.420 2.406 2.318 2.469 . 0 0 "[ . 1 . 2]" 1
1595 1 16 LEU HA 3 23 LEU MD2 3.330 . 3.330 3.130 2.533 3.443 0.113 14 0 "[ . 1 . 2]" 1
1596 1 23 LEU MD2 3 16 LEU HA 3.330 . 3.330 3.125 2.538 3.443 0.113 14 0 "[ . 1 . 2]" 1
1597 1 23 LEU MD2 1 24 ARG H 4.580 . 4.580 4.007 3.827 4.128 . 0 0 "[ . 1 . 2]" 1
1598 3 23 LEU MD2 3 24 ARG H 4.580 . 4.580 4.014 3.832 4.139 . 0 0 "[ . 1 . 2]" 1
1599 1 23 LEU H 1 23 LEU MD2 3.880 . 3.880 3.805 3.767 3.841 . 0 0 "[ . 1 . 2]" 1
1600 3 23 LEU H 3 23 LEU MD2 3.880 . 3.880 3.803 3.742 3.836 . 0 0 "[ . 1 . 2]" 1
1601 1 23 LEU HG 1 24 ARG HA 3.610 . 3.610 3.369 3.211 3.552 . 0 0 "[ . 1 . 2]" 1
1602 3 23 LEU HG 3 24 ARG HA 3.610 . 3.610 3.381 3.208 3.540 . 0 0 "[ . 1 . 2]" 1
1603 1 23 LEU HG 1 25 LYS H 5.110 . 5.110 5.176 5.133 5.223 0.113 20 0 "[ . 1 . 2]" 1
1604 3 23 LEU HG 3 25 LYS H 5.110 . 5.110 5.177 5.134 5.222 0.112 20 0 "[ . 1 . 2]" 1
1605 1 23 LEU HG 1 27 GLU H 5.080 . 5.080 4.707 4.514 4.945 . 0 0 "[ . 1 . 2]" 1
1606 3 23 LEU HG 3 27 GLU H 5.080 . 5.080 4.688 4.481 4.903 . 0 0 "[ . 1 . 2]" 1
1607 1 23 LEU HB2 1 23 LEU MD1 3.560 . 3.560 2.225 2.171 2.264 . 0 0 "[ . 1 . 2]" 1
1608 3 23 LEU HB2 3 23 LEU MD1 3.560 . 3.560 2.222 2.179 2.264 . 0 0 "[ . 1 . 2]" 1
1609 1 23 LEU HB2 1 24 ARG H 4.320 . 4.320 4.304 4.191 4.344 0.024 19 0 "[ . 1 . 2]" 1
1610 3 23 LEU HB2 3 24 ARG H 4.320 . 4.320 4.306 4.204 4.339 0.019 13 0 "[ . 1 . 2]" 1
1611 1 20 ARG HA 1 23 LEU HG 4.590 . 4.590 4.617 4.518 4.658 0.068 19 0 "[ . 1 . 2]" 1
1612 3 20 ARG HA 3 23 LEU HG 4.590 . 4.590 4.617 4.574 4.646 0.056 1 0 "[ . 1 . 2]" 1
1613 1 27 GLU HA 1 30 LEU HA 5.500 . 5.500 5.462 5.350 5.520 0.020 3 0 "[ . 1 . 2]" 1
1614 3 27 GLU HA 3 30 LEU HA 5.500 . 5.500 5.505 5.346 5.546 0.046 3 0 "[ . 1 . 2]" 1
1615 1 27 GLU HA 1 30 LEU HG 5.130 . 5.130 4.046 3.918 4.154 . 0 0 "[ . 1 . 2]" 1
1616 3 27 GLU HA 3 30 LEU HG 5.130 . 5.130 4.066 3.926 4.198 . 0 0 "[ . 1 . 2]" 1
1617 1 27 GLU HA 1 30 LEU MD2 4.630 . 4.630 4.325 4.264 4.427 . 0 0 "[ . 1 . 2]" 1
1618 1 27 GLU HA 1 27 GLU HG3 3.920 . 3.920 2.981 2.839 3.076 . 0 0 "[ . 1 . 2]" 1
1619 3 27 GLU HA 3 27 GLU HG2 3.920 . 3.920 2.541 2.442 2.608 . 0 0 "[ . 1 . 2]" 1
1620 1 27 GLU H 1 27 GLU HG3 4.560 . 4.560 2.378 2.241 2.670 . 0 0 "[ . 1 . 2]" 1
1621 1 27 GLU HG2 1 30 LEU HB2 5.500 . 5.500 5.437 5.249 5.518 0.018 8 0 "[ . 1 . 2]" 1
1622 1 26 ALA MB 1 27 GLU HG2 4.710 . 4.710 4.431 4.287 4.625 . 0 0 "[ . 1 . 2]" 1
1623 1 27 GLU HA 1 27 GLU HG2 3.840 . 3.840 2.452 2.351 2.510 . 0 0 "[ . 1 . 2]" 1
1624 3 27 GLU HA 3 27 GLU HG3 3.920 . 3.920 2.981 2.836 3.089 . 0 0 "[ . 1 . 2]" 1
1625 1 30 LEU HB3 1 30 LEU MD2 3.560 . 3.560 3.066 3.029 3.113 . 0 0 "[ . 1 . 2]" 1
1626 3 30 LEU HB3 3 30 LEU MD1 3.660 . 3.660 2.689 2.601 2.783 . 0 0 "[ . 1 . 2]" 1
1627 1 27 GLU HA 1 30 LEU HB3 4.290 . 4.290 2.806 2.734 2.860 . 0 0 "[ . 1 . 2]" 1
1628 3 27 GLU HA 3 30 LEU HB3 4.290 . 4.290 2.837 2.716 2.878 . 0 0 "[ . 1 . 2]" 1
1629 1 30 LEU HA 1 30 LEU HG 4.120 . 4.120 3.785 3.730 3.824 . 0 0 "[ . 1 . 2]" 1
1630 3 30 LEU HA 3 30 LEU HG 4.120 . 4.120 3.784 3.746 3.817 . 0 0 "[ . 1 . 2]" 1
1631 1 30 LEU HG 1 31 GLU H 3.830 . 3.830 3.931 3.897 3.968 0.138 16 0 "[ . 1 . 2]" 1
1632 3 30 LEU HG 3 31 GLU H 3.830 . 3.830 3.993 3.964 4.023 0.193 16 0 "[ . 1 . 2]" 1
1633 1 30 LEU MD2 1 45 TRP HB3 4.290 . 4.290 3.517 3.415 3.647 . 0 0 "[ . 1 . 2]" 1
1634 1 30 LEU MD2 1 45 TRP HB2 3.960 . 3.960 2.476 2.349 2.596 . 0 0 "[ . 1 . 2]" 1
1635 3 30 LEU MD1 3 45 TRP HB2 4.480 . 4.480 3.024 2.612 3.276 . 0 0 "[ . 1 . 2]" 1
1636 1 30 LEU MD2 1 45 TRP HD1 4.130 . 4.130 2.827 2.617 3.021 . 0 0 "[ . 1 . 2]" 1
1637 1 30 LEU H 1 30 LEU MD2 4.370 . 4.370 3.978 3.830 4.055 . 0 0 "[ . 1 . 2]" 1
1638 3 30 LEU H 3 30 LEU MD1 4.860 . 4.860 4.292 4.227 4.327 . 0 0 "[ . 1 . 2]" 1
1639 1 30 LEU HB3 1 30 LEU MD1 3.660 . 3.660 2.784 2.728 2.857 . 0 0 "[ . 1 . 2]" 1
1640 3 30 LEU HB3 3 30 LEU MD2 3.660 . 3.660 3.143 3.097 3.179 . 0 0 "[ . 1 . 2]" 1
1641 1 30 LEU HA 1 30 LEU MD1 3.250 . 3.250 2.398 2.279 2.501 . 0 0 "[ . 1 . 2]" 1
1642 3 30 LEU HA 3 30 LEU MD2 3.250 . 3.250 2.554 2.430 2.674 . 0 0 "[ . 1 . 2]" 1
1643 1 30 LEU MD1 1 37 TYR HD1 4.720 . 4.720 4.791 4.744 4.846 0.126 18 0 "[ . 1 . 2]" 1
1644 1 30 LEU MD1 1 31 GLU H 4.080 . 4.080 3.416 3.278 3.527 . 0 0 "[ . 1 . 2]" 1
1645 1 36 TRP HB3 1 36 TRP HE3 4.020 . 4.020 2.428 2.379 2.556 . 0 0 "[ . 1 . 2]" 1
1646 3 36 TRP HB3 3 36 TRP HE3 4.020 . 4.020 2.430 2.392 2.531 . 0 0 "[ . 1 . 2]" 1
1647 1 37 TYR HA 1 38 ALA MB 4.480 . 4.480 4.238 4.138 4.301 . 0 0 "[ . 1 . 2]" 1
1648 3 37 TYR HA 3 38 ALA MB 4.480 . 4.480 4.243 4.154 4.309 . 0 0 "[ . 1 . 2]" 1
1649 1 38 ALA HA 1 39 PRO HD3 3.240 . 3.240 2.420 2.287 2.766 . 0 0 "[ . 1 . 2]" 1
1650 3 38 ALA HA 3 39 PRO HD3 3.240 . 3.240 2.411 2.271 2.774 . 0 0 "[ . 1 . 2]" 1
1651 1 38 ALA HA 1 39 PRO HD2 3.530 . 3.530 2.311 1.990 2.463 . 0 0 "[ . 1 . 2]" 1
1652 3 38 ALA HA 3 39 PRO HD2 3.530 . 3.530 2.298 1.985 2.490 . 0 0 "[ . 1 . 2]" 1
1653 1 38 ALA HA 1 39 PRO HG3 4.640 . 4.640 4.499 4.415 4.586 . 0 0 "[ . 1 . 2]" 1
1654 3 38 ALA HA 3 39 PRO HG3 4.640 . 4.640 4.487 4.416 4.596 . 0 0 "[ . 1 . 2]" 1
1655 1 37 TYR HB3 1 37 TYR HD1 3.490 . 3.490 3.748 3.718 3.772 0.282 19 0 "[ . 1 . 2]" 1
1656 3 37 TYR HB3 3 37 TYR HD1 3.490 . 3.490 3.740 3.714 3.771 0.281 19 0 "[ . 1 . 2]" 1
1657 1 37 TYR HD1 1 38 ALA MB 4.350 . 4.350 3.991 3.779 4.171 . 0 0 "[ . 1 . 2]" 1
1658 3 37 TYR HD1 3 38 ALA MB 4.350 . 4.350 3.946 3.692 4.130 . 0 0 "[ . 1 . 2]" 1
1659 1 39 PRO HA 1 42 LEU MD2 4.160 . 4.160 4.035 3.631 4.173 0.013 4 0 "[ . 1 . 2]" 1
1660 3 39 PRO HA 3 42 LEU MD2 4.160 . 4.160 4.053 3.710 4.175 0.015 4 0 "[ . 1 . 2]" 1
1661 1 39 PRO HA 1 42 LEU HB2 4.240 . 4.240 3.688 3.361 4.241 0.001 12 0 "[ . 1 . 2]" 1
1662 3 39 PRO HA 3 42 LEU HB2 4.240 . 4.240 3.675 3.379 4.241 0.001 12 0 "[ . 1 . 2]" 1
1663 1 39 PRO HA 2 20 ARG HG2 4.080 . 4.080 3.961 2.649 4.166 0.086 14 0 "[ . 1 . 2]" 1
1664 3 39 PRO HA 4 20 ARG HG2 4.080 . 4.080 3.969 2.657 4.165 0.085 14 0 "[ . 1 . 2]" 1
1665 1 39 PRO HA 2 20 ARG HA 4.480 . 4.480 3.874 3.283 4.155 . 0 0 "[ . 1 . 2]" 1
1666 3 39 PRO HA 4 20 ARG HA 4.480 . 4.480 3.878 3.262 4.150 . 0 0 "[ . 1 . 2]" 1
1667 1 38 ALA HA 1 39 PRO HA 4.460 . 4.460 4.374 4.312 4.469 0.009 12 0 "[ . 1 . 2]" 1
1668 3 38 ALA HA 3 39 PRO HA 4.460 . 4.460 4.371 4.300 4.472 0.012 12 0 "[ . 1 . 2]" 1
1669 1 39 PRO HA 1 42 LEU H 4.180 . 4.180 3.217 2.868 3.750 . 0 0 "[ . 1 . 2]" 1
1670 3 39 PRO HA 3 42 LEU H 4.180 . 4.180 3.194 2.854 3.698 . 0 0 "[ . 1 . 2]" 1
1671 1 39 PRO HD3 2 21 GLY HA3 4.560 . 4.560 3.798 3.155 4.071 . 0 0 "[ . 1 . 2]" 1
1672 3 39 PRO HD3 4 21 GLY HA3 4.560 . 4.560 3.786 3.216 4.136 . 0 0 "[ . 1 . 2]" 1
1673 1 42 LEU HA 1 42 LEU HG 3.520 . 3.520 2.652 2.530 2.883 . 0 0 "[ . 1 . 2]" 1
1674 3 42 LEU HA 3 42 LEU HG 3.520 . 3.520 2.653 2.543 2.870 . 0 0 "[ . 1 . 2]" 1
1675 1 42 LEU HA 1 42 LEU MD1 3.780 . 3.780 3.514 3.386 3.664 . 0 0 "[ . 1 . 2]" 1
1676 3 42 LEU HA 3 42 LEU MD1 3.780 . 3.780 3.515 3.428 3.666 . 0 0 "[ . 1 . 2]" 1
1677 1 42 LEU HA 1 42 LEU MD2 4.110 . 4.110 3.594 3.521 3.653 . 0 0 "[ . 1 . 2]" 1
1678 3 42 LEU HA 3 42 LEU MD2 4.110 . 4.110 3.591 3.532 3.650 . 0 0 "[ . 1 . 2]" 1
1679 1 42 LEU HA 1 45 TRP HE3 4.040 . 4.040 2.205 2.074 2.376 . 0 0 "[ . 1 . 2]" 1
1680 3 42 LEU HA 3 45 TRP HE3 4.040 . 4.040 2.212 2.082 2.399 . 0 0 "[ . 1 . 2]" 1
1681 1 42 LEU HA 1 46 LEU H 3.760 . 3.760 3.539 3.367 3.686 . 0 0 "[ . 1 . 2]" 1
1682 3 42 LEU HA 3 46 LEU H 3.760 . 3.760 3.569 3.451 3.723 . 0 0 "[ . 1 . 2]" 1
1683 1 31 GLU HA 1 42 LEU HB2 4.300 . 4.300 4.280 3.912 4.425 0.125 20 0 "[ . 1 . 2]" 1
1684 3 31 GLU HA 3 42 LEU HB2 4.300 . 4.300 4.267 3.920 4.424 0.124 20 0 "[ . 1 . 2]" 1
1685 1 42 LEU HB2 1 43 GLN H 4.280 . 4.280 3.905 3.685 4.166 . 0 0 "[ . 1 . 2]" 1
1686 3 42 LEU HB2 3 43 GLN H 4.280 . 4.280 3.907 3.718 4.139 . 0 0 "[ . 1 . 2]" 1
1687 1 31 GLU HA 1 42 LEU HG 5.070 . 5.070 4.422 3.949 4.982 . 0 0 "[ . 1 . 2]" 1
1688 3 31 GLU HA 3 42 LEU HG 5.070 . 5.070 4.428 3.947 4.906 . 0 0 "[ . 1 . 2]" 1
1689 1 42 LEU HG 1 43 GLN HA 5.370 . 5.370 4.409 4.107 4.741 . 0 0 "[ . 1 . 2]" 1
1690 3 42 LEU HG 3 43 GLN HA 5.370 . 5.370 4.392 4.094 4.672 . 0 0 "[ . 1 . 2]" 1
1691 1 42 LEU HG 1 45 TRP HE3 4.500 . 4.500 2.005 1.924 2.156 . 0 0 "[ . 1 . 2]" 1
1692 3 42 LEU HG 3 45 TRP HE3 4.500 . 4.500 2.001 1.934 2.136 . 0 0 "[ . 1 . 2]" 1
1693 1 42 LEU HG 1 46 LEU H 3.680 . 3.680 3.748 3.731 3.779 0.099 7 0 "[ . 1 . 2]" 1
1694 3 42 LEU HG 3 46 LEU H 3.680 . 3.680 3.746 3.729 3.772 0.092 7 0 "[ . 1 . 2]" 1
1695 1 42 LEU MD1 2 16 GLN HA 3.240 . 3.240 3.131 2.784 3.303 0.063 7 0 "[ . 1 . 2]" 1
1696 3 42 LEU MD1 4 16 GLN HA 3.240 . 3.240 3.126 2.865 3.314 0.074 18 0 "[ . 1 . 2]" 1
1697 1 31 GLU HA 1 42 LEU MD1 3.800 . 3.800 2.483 2.167 2.927 . 0 0 "[ . 1 . 2]" 1
1698 3 31 GLU HA 3 42 LEU MD1 3.800 . 3.800 2.490 2.127 2.920 . 0 0 "[ . 1 . 2]" 1
1699 1 42 LEU MD1 1 45 TRP HE3 3.740 . 3.740 3.428 3.320 3.536 . 0 0 "[ . 1 . 2]" 1
1700 3 42 LEU MD1 3 45 TRP HE3 3.740 . 3.740 3.422 3.320 3.514 . 0 0 "[ . 1 . 2]" 1
1701 1 42 LEU MD1 1 46 LEU H 5.140 . 5.140 5.186 5.163 5.219 0.079 7 0 "[ . 1 . 2]" 1
1702 3 42 LEU MD1 3 46 LEU H 5.140 . 5.140 5.186 5.168 5.222 0.082 7 0 "[ . 1 . 2]" 1
1703 1 42 LEU MD2 2 16 GLN HA 4.440 . 4.440 4.077 3.626 4.446 0.006 3 0 "[ . 1 . 2]" 1
1704 3 42 LEU MD2 4 16 GLN HA 4.440 . 4.440 4.051 3.599 4.401 . 0 0 "[ . 1 . 2]" 1
1705 1 42 LEU MD2 1 46 LEU H 4.470 . 4.470 3.972 3.787 4.153 . 0 0 "[ . 1 . 2]" 1
1706 3 42 LEU MD2 3 46 LEU H 4.470 . 4.470 3.965 3.795 4.128 . 0 0 "[ . 1 . 2]" 1
1707 1 17 GLU H 3 52 VAL MG2 4.080 . 4.080 3.364 2.907 3.793 . 0 0 "[ . 1 . 2]" 1
1708 1 52 VAL MG2 3 17 GLU H 4.080 . 4.080 3.346 2.839 3.773 . 0 0 "[ . 1 . 2]" 1
1709 1 44 LYS QB 1 45 TRP HA 4.550 . 4.550 4.012 3.792 4.303 . 0 0 "[ . 1 . 2]" 1
1710 3 44 LYS QB 3 45 TRP HA 4.550 . 4.550 4.005 3.798 4.342 . 0 0 "[ . 1 . 2]" 1
1711 1 45 TRP HA 1 48 LEU MD1 5.080 . 5.080 4.711 2.958 5.181 0.101 4 0 "[ . 1 . 2]" 1
1712 3 45 TRP HA 3 48 LEU MD1 5.080 . 5.080 4.722 3.005 5.198 0.118 4 0 "[ . 1 . 2]" 1
1713 1 45 TRP HA 1 48 LEU MD2 5.080 . 5.080 3.988 3.620 5.018 . 0 0 "[ . 1 . 2]" 1
1714 3 45 TRP HA 3 48 LEU MD2 5.080 . 5.080 3.969 3.589 5.030 . 0 0 "[ . 1 . 2]" 1
1715 1 45 TRP HA 1 49 THR MG 4.420 . 4.420 3.742 3.484 3.964 . 0 0 "[ . 1 . 2]" 1
1716 3 45 TRP HA 3 49 THR MG 4.420 . 4.420 3.754 3.548 3.989 . 0 0 "[ . 1 . 2]" 1
1717 1 42 LEU HA 1 45 TRP HB2 4.670 . 4.670 3.598 3.485 3.742 . 0 0 "[ . 1 . 2]" 1
1718 3 42 LEU HA 3 45 TRP HB2 4.670 . 4.670 3.591 3.487 3.724 . 0 0 "[ . 1 . 2]" 1
1719 1 45 TRP HA 1 45 TRP HD1 4.250 . 4.250 3.174 3.058 3.318 . 0 0 "[ . 1 . 2]" 1
1720 3 45 TRP HA 3 45 TRP HD1 4.250 . 4.250 3.182 3.066 3.294 . 0 0 "[ . 1 . 2]" 1
1721 1 42 LEU MD1 1 45 TRP HB3 5.500 . 5.500 5.017 4.920 5.113 . 0 0 "[ . 1 . 2]" 1
1722 3 42 LEU MD1 3 45 TRP HB3 5.500 . 5.500 5.004 4.878 5.094 . 0 0 "[ . 1 . 2]" 1
1723 1 49 THR HA 1 49 THR MG 3.200 . 3.200 2.345 2.309 2.398 . 0 0 "[ . 1 . 2]" 1
1724 3 49 THR HA 3 49 THR MG 3.200 . 3.200 2.345 2.311 2.399 . 0 0 "[ . 1 . 2]" 1
1725 1 49 THR HA 1 52 VAL HB 3.720 . 3.720 3.270 3.022 3.522 . 0 0 "[ . 1 . 2]" 1
1726 3 49 THR HA 3 52 VAL HB 3.720 . 3.720 3.275 3.036 3.523 . 0 0 "[ . 1 . 2]" 1
1727 1 49 THR HB 1 50 HIS HA 4.740 . 4.740 4.097 3.934 4.278 . 0 0 "[ . 1 . 2]" 1
1728 3 49 THR HB 3 50 HIS HA 4.740 . 4.740 4.083 3.941 4.274 . 0 0 "[ . 1 . 2]" 1
1729 1 27 GLU HG2 1 49 THR HB 4.510 . 4.510 4.105 3.806 4.396 . 0 0 "[ . 1 . 2]" 1
1730 1 46 LEU MD1 1 49 THR HB 4.800 . 4.800 4.350 4.050 4.671 . 0 0 "[ . 1 . 2]" 1
1731 3 46 LEU MD1 3 49 THR HB 4.800 . 4.800 4.324 3.938 4.632 . 0 0 "[ . 1 . 2]" 1
1732 1 46 LEU MD2 1 49 THR MG 4.150 . 4.150 3.811 3.579 4.028 . 0 0 "[ . 1 . 2]" 1
1733 3 46 LEU MD2 3 49 THR MG 4.150 . 4.150 3.811 3.580 4.015 . 0 0 "[ . 1 . 2]" 1
1734 1 46 LEU MD1 1 49 THR MG 4.900 . 4.900 4.414 4.024 4.660 . 0 0 "[ . 1 . 2]" 1
1735 3 46 LEU MD1 3 49 THR MG 4.900 . 4.900 4.406 4.048 4.673 . 0 0 "[ . 1 . 2]" 1
1736 1 49 THR MG 1 52 VAL MG2 5.340 . 5.340 5.143 4.906 5.345 0.005 15 0 "[ . 1 . 2]" 1
1737 3 49 THR MG 3 52 VAL MG2 5.340 . 5.340 5.149 4.938 5.347 0.007 15 0 "[ . 1 . 2]" 1
1738 1 27 GLU HG2 1 49 THR MG 4.120 . 4.120 2.229 1.973 2.535 . 0 0 "[ . 1 . 2]" 1
1739 1 45 TRP HH2 1 49 THR MG 5.150 . 5.150 5.249 5.186 5.298 0.148 11 0 "[ . 1 . 2]" 1
1740 3 45 TRP HH2 3 49 THR MG 5.150 . 5.150 5.243 5.197 5.289 0.139 11 0 "[ . 1 . 2]" 1
1741 1 49 THR H 1 49 THR MG 3.520 . 3.520 2.431 2.236 2.515 . 0 0 "[ . 1 . 2]" 1
1742 3 49 THR H 3 49 THR MG 3.520 . 3.520 2.433 2.260 2.529 . 0 0 "[ . 1 . 2]" 1
1743 1 49 THR MG 1 50 HIS HA 5.400 . 5.400 5.311 5.210 5.395 . 0 0 "[ . 1 . 2]" 1
1744 3 49 THR MG 3 50 HIS HA 5.400 . 5.400 5.305 5.212 5.377 . 0 0 "[ . 1 . 2]" 1
1745 1 35 SER HA 1 36 TRP H 3.220 . 3.220 3.284 3.241 3.313 0.093 16 0 "[ . 1 . 2]" 1
1746 3 35 SER HA 3 36 TRP H 3.220 . 3.220 3.287 3.248 3.327 0.107 13 0 "[ . 1 . 2]" 1
1747 1 47 GLN HA 1 50 HIS HB2 4.470 . 4.470 4.394 4.026 4.514 0.044 11 0 "[ . 1 . 2]" 1
1748 3 47 GLN HA 3 50 HIS HB2 4.470 . 4.470 4.393 4.005 4.515 0.045 11 0 "[ . 1 . 2]" 1
1749 1 52 VAL HA 1 55 GLN QG 4.550 . 4.550 2.862 2.344 3.605 . 0 0 "[ . 1 . 2]" 1
1750 3 52 VAL HA 3 55 GLN QG 4.550 . 4.550 2.851 2.325 3.593 . 0 0 "[ . 1 . 2]" 1
1751 1 52 VAL HA 1 55 GLN H 4.570 . 4.570 3.132 2.940 3.380 . 0 0 "[ . 1 . 2]" 1
1752 3 52 VAL HA 3 55 GLN H 4.570 . 4.570 3.127 2.932 3.394 . 0 0 "[ . 1 . 2]" 1
1753 1 51 GLU HA 1 52 VAL HA 4.830 . 4.830 4.638 4.596 4.709 . 0 0 "[ . 1 . 2]" 1
1754 3 51 GLU HA 3 52 VAL HA 4.830 . 4.830 4.640 4.595 4.699 . 0 0 "[ . 1 . 2]" 1
1755 1 52 VAL HA 1 52 VAL MG2 2.920 . 2.920 2.197 2.100 2.276 . 0 0 "[ . 1 . 2]" 1
1756 3 52 VAL HA 3 52 VAL MG2 2.920 . 2.920 2.196 2.106 2.315 . 0 0 "[ . 1 . 2]" 1
1757 1 52 VAL MG2 1 53 GLU H 3.920 . 3.920 3.950 3.881 3.997 0.077 7 0 "[ . 1 . 2]" 1
1758 3 52 VAL MG2 3 53 GLU H 3.920 . 3.920 3.950 3.882 4.000 0.080 7 0 "[ . 1 . 2]" 1
1759 1 52 VAL H 1 52 VAL MG2 3.120 . 3.120 2.300 2.183 2.448 . 0 0 "[ . 1 . 2]" 1
1760 3 52 VAL H 3 52 VAL MG2 3.120 . 3.120 2.301 2.163 2.462 . 0 0 "[ . 1 . 2]" 1
1761 1 52 VAL HA 1 52 VAL MG1 3.120 . 3.120 2.484 2.417 2.558 . 0 0 "[ . 1 . 2]" 1
1762 3 52 VAL HA 3 52 VAL MG1 3.120 . 3.120 2.483 2.411 2.562 . 0 0 "[ . 1 . 2]" 1
1763 1 52 VAL H 1 52 VAL MG1 3.930 . 3.930 3.700 3.658 3.787 . 0 0 "[ . 1 . 2]" 1
1764 3 52 VAL H 3 52 VAL MG1 3.930 . 3.930 3.701 3.647 3.774 . 0 0 "[ . 1 . 2]" 1
1765 1 19 VAL MG2 1 22 ALA MB 3.550 . 3.550 3.095 2.947 3.215 . 0 0 "[ . 1 . 2]" 1
1766 3 19 VAL MG2 3 22 ALA MB 3.550 . 3.550 3.088 2.957 3.234 . 0 0 "[ . 1 . 2]" 1
1767 1 19 VAL HB 3 19 VAL MG2 3.580 . 3.580 2.541 2.359 2.846 . 0 0 "[ . 1 . 2]" 1
1768 1 19 VAL MG2 3 19 VAL HB 3.580 . 3.580 2.539 2.361 2.799 . 0 0 "[ . 1 . 2]" 1
1769 1 17 GLU HA 3 52 VAL MG1 3.850 . 3.850 2.594 2.091 3.390 . 0 0 "[ . 1 . 2]" 1
1770 1 52 VAL MG1 3 17 GLU HA 3.850 . 3.850 2.596 2.105 3.409 . 0 0 "[ . 1 . 2]" 1
1771 1 16 LEU H 3 19 VAL MG2 4.000 . 4.000 3.738 3.449 4.022 0.022 7 0 "[ . 1 . 2]" 1
1772 1 19 VAL MG2 3 16 LEU H 4.000 . 4.000 3.742 3.407 4.037 0.037 7 0 "[ . 1 . 2]" 1
1773 1 52 VAL MG1 1 53 GLU H 4.610 . 4.610 3.411 3.211 3.557 . 0 0 "[ . 1 . 2]" 1
1774 3 52 VAL MG1 3 53 GLU H 4.610 . 4.610 3.416 3.231 3.567 . 0 0 "[ . 1 . 2]" 1
1775 1 56 TYR HA 1 59 ILE MD 3.350 . 3.350 2.056 1.953 2.183 . 0 0 "[ . 1 . 2]" 1
1776 3 56 TYR HA 3 59 ILE MD 3.350 . 3.350 2.058 1.946 2.164 . 0 0 "[ . 1 . 2]" 1
1777 1 20 ARG HG3 3 56 TYR HA 4.780 . 4.780 3.297 2.514 4.136 . 0 0 "[ . 1 . 2]" 1
1778 1 56 TYR HA 3 20 ARG HG3 4.780 . 4.780 3.308 2.523 4.086 . 0 0 "[ . 1 . 2]" 1
1779 1 56 TYR HA 1 56 TYR HD1 3.810 . 3.810 3.788 3.664 3.888 0.078 1 0 "[ . 1 . 2]" 1
1780 3 56 TYR HA 3 56 TYR HD1 3.810 . 3.810 3.780 3.682 3.895 0.085 2 0 "[ . 1 . 2]" 1
1781 1 55 GLN H 1 56 TYR HA 5.440 . 5.440 5.448 5.415 5.472 0.032 11 0 "[ . 1 . 2]" 1
1782 3 55 GLN H 3 56 TYR HA 5.440 . 5.440 5.450 5.426 5.476 0.036 4 0 "[ . 1 . 2]" 1
1783 1 56 TYR HB2 1 59 ILE MD 4.230 . 4.230 3.992 3.806 4.244 0.014 2 0 "[ . 1 . 2]" 1
1784 3 56 TYR HB2 3 59 ILE MD 4.230 . 4.230 3.991 3.786 4.214 . 0 0 "[ . 1 . 2]" 1
1785 2 4 LEU MD2 3 57 TYR HA 5.500 . 5.500 5.510 5.326 5.581 0.081 5 0 "[ . 1 . 2]" 1
1786 1 57 TYR HA 4 4 LEU MD2 5.500 . 5.500 5.494 5.055 5.569 0.069 7 0 "[ . 1 . 2]" 1
1787 1 57 TYR HA 1 60 LYS HG2 4.780 . 4.780 2.883 2.347 3.224 . 0 0 "[ . 1 . 2]" 1
1788 3 57 TYR HA 3 60 LYS HG2 4.780 . 4.780 2.874 2.365 3.179 . 0 0 "[ . 1 . 2]" 1
1789 1 56 TYR HD1 1 57 TYR HA 4.420 . 4.420 3.187 2.584 3.688 . 0 0 "[ . 1 . 2]" 1
1790 3 56 TYR HD1 3 57 TYR HA 4.420 . 4.420 3.170 2.579 3.707 . 0 0 "[ . 1 . 2]" 1
1791 1 57 TYR HA 1 57 TYR HD1 3.670 . 3.670 2.616 2.425 2.749 . 0 0 "[ . 1 . 2]" 1
1792 3 57 TYR HA 3 57 TYR HD1 3.670 . 3.670 2.615 2.417 2.806 . 0 0 "[ . 1 . 2]" 1
1793 1 54 VAL HB 1 57 TYR HB3 5.270 . 5.270 5.032 4.906 5.239 . 0 0 "[ . 1 . 2]" 1
1794 3 54 VAL HB 3 57 TYR HB3 5.270 . 5.270 5.041 4.864 5.226 . 0 0 "[ . 1 . 2]" 1
1795 1 57 TYR HB2 1 61 LYS HD2 5.500 . 5.500 4.955 4.620 5.217 . 0 0 "[ . 1 . 2]" 1
1796 3 57 TYR HB2 3 61 LYS HD2 5.500 . 5.500 4.966 4.678 5.278 . 0 0 "[ . 1 . 2]" 1
1797 1 57 TYR HB3 1 61 LYS HD2 5.500 . 5.500 4.825 4.512 5.157 . 0 0 "[ . 1 . 2]" 1
1798 3 57 TYR HB3 3 61 LYS HD2 5.500 . 5.500 4.832 4.575 5.130 . 0 0 "[ . 1 . 2]" 1
1799 1 54 VAL MG2 1 57 TYR HB3 4.390 . 4.390 4.246 4.039 4.399 0.009 3 0 "[ . 1 . 2]" 1
1800 3 54 VAL MG2 3 57 TYR HB3 4.390 . 4.390 4.254 4.084 4.398 0.008 3 0 "[ . 1 . 2]" 1
1801 1 56 TYR HD1 1 57 TYR HB2 5.200 . 5.200 4.534 3.727 5.158 . 0 0 "[ . 1 . 2]" 1
1802 3 56 TYR HD1 3 57 TYR HB2 5.200 . 5.200 4.512 3.611 5.159 . 0 0 "[ . 1 . 2]" 1
1803 1 54 VAL H 1 57 TYR HB3 5.360 . 5.360 4.728 4.547 4.831 . 0 0 "[ . 1 . 2]" 1
1804 3 54 VAL H 3 57 TYR HB3 5.360 . 5.360 4.726 4.613 4.832 . 0 0 "[ . 1 . 2]" 1
1805 1 55 GLN H 1 57 TYR HB3 5.500 . 5.500 4.547 4.375 4.684 . 0 0 "[ . 1 . 2]" 1
1806 3 55 GLN H 3 57 TYR HB3 5.500 . 5.500 4.552 4.425 4.651 . 0 0 "[ . 1 . 2]" 1
1807 1 56 TYR HE2 1 57 TYR HB2 4.680 . 4.680 4.438 3.964 4.925 0.245 12 0 "[ . 1 . 2]" 1
1808 3 56 TYR HE2 3 57 TYR HB2 4.680 . 4.680 4.478 3.988 4.920 0.240 17 0 "[ . 1 . 2]" 1
1809 1 56 TYR H 1 57 TYR HB3 5.030 . 5.030 4.552 4.345 4.734 . 0 0 "[ . 1 . 2]" 1
1810 3 56 TYR H 3 57 TYR HB3 5.030 . 5.030 4.554 4.409 4.724 . 0 0 "[ . 1 . 2]" 1
1811 1 57 TYR H 1 57 TYR HB3 4.000 . 4.000 2.317 2.204 2.407 . 0 0 "[ . 1 . 2]" 1
1812 3 57 TYR H 3 57 TYR HB3 4.000 . 4.000 2.318 2.227 2.400 . 0 0 "[ . 1 . 2]" 1
1813 1 58 ASN HA 1 61 LYS HG2 4.410 . 4.410 3.674 3.394 3.938 . 0 0 "[ . 1 . 2]" 1
1814 3 58 ASN HA 3 61 LYS HG2 4.410 . 4.410 3.662 3.351 3.885 . 0 0 "[ . 1 . 2]" 1
1815 1 58 ASN HA 1 61 LYS HB3 4.070 . 4.070 3.608 2.880 3.856 . 0 0 "[ . 1 . 2]" 1
1816 3 58 ASN HA 3 61 LYS HB3 4.070 . 4.070 3.589 2.815 3.855 . 0 0 "[ . 1 . 2]" 1
1817 1 58 ASN HA 1 61 LYS HD2 4.530 . 4.530 3.441 3.041 3.885 . 0 0 "[ . 1 . 2]" 1
1818 3 58 ASN HA 3 61 LYS HD2 4.530 . 4.530 3.440 2.948 3.936 . 0 0 "[ . 1 . 2]" 1
1819 1 58 ASN HA 1 61 LYS HB2 3.870 . 3.870 2.263 2.019 2.409 . 0 0 "[ . 1 . 2]" 1
1820 3 58 ASN HA 3 61 LYS HB2 3.870 . 3.870 2.262 2.038 2.465 . 0 0 "[ . 1 . 2]" 1
1821 1 57 TYR HB3 1 58 ASN HA 4.730 . 4.730 4.214 4.045 4.334 . 0 0 "[ . 1 . 2]" 1
1822 3 57 TYR HB3 3 58 ASN HA 4.730 . 4.730 4.226 4.096 4.341 . 0 0 "[ . 1 . 2]" 1
1823 1 59 ILE HA 1 59 ILE HG12 4.050 . 4.050 2.565 2.495 2.611 . 0 0 "[ . 1 . 2]" 1
1824 3 59 ILE HA 3 59 ILE HG12 4.050 . 4.050 2.565 2.526 2.608 . 0 0 "[ . 1 . 2]" 1
1825 1 59 ILE HA 1 62 GLN QB 3.840 . 3.840 2.878 2.726 3.114 . 0 0 "[ . 1 . 2]" 1
1826 3 59 ILE HA 3 62 GLN QB 3.840 . 3.840 2.876 2.692 3.147 . 0 0 "[ . 1 . 2]" 1
1827 1 56 TYR HA 1 59 ILE HA 5.230 . 5.230 5.273 5.239 5.321 0.091 13 0 "[ . 1 . 2]" 1
1828 3 56 TYR HA 3 59 ILE HA 5.230 . 5.230 5.271 5.222 5.323 0.093 13 0 "[ . 1 . 2]" 1
1829 1 59 ILE HA 1 61 LYS H 4.830 . 4.830 4.326 4.200 4.429 . 0 0 "[ . 1 . 2]" 1
1830 3 59 ILE HA 3 61 LYS H 4.830 . 4.830 4.329 4.225 4.410 . 0 0 "[ . 1 . 2]" 1
1831 1 59 ILE HA 1 63 ASN H 5.170 . 5.170 4.038 3.928 4.185 . 0 0 "[ . 1 . 2]" 1
1832 3 59 ILE HA 3 63 ASN H 5.170 . 5.170 4.050 3.889 4.277 . 0 0 "[ . 1 . 2]" 1
1833 1 59 ILE HB 1 60 LYS HA 4.760 . 4.760 4.381 4.238 4.485 . 0 0 "[ . 1 . 2]" 1
1834 3 59 ILE HB 3 60 LYS HA 4.760 . 4.760 4.382 4.262 4.472 . 0 0 "[ . 1 . 2]" 1
1835 1 56 TYR HA 1 59 ILE HB 3.740 . 3.740 2.506 2.426 2.568 . 0 0 "[ . 1 . 2]" 1
1836 3 56 TYR HA 3 59 ILE HB 3.740 . 3.740 2.501 2.400 2.572 . 0 0 "[ . 1 . 2]" 1
1837 1 59 ILE HG12 1 59 ILE MG 3.310 . 3.310 2.287 2.243 2.314 . 0 0 "[ . 1 . 2]" 1
1838 3 59 ILE HG12 3 59 ILE MG 3.310 . 3.310 2.289 2.260 2.316 . 0 0 "[ . 1 . 2]" 1
1839 1 59 ILE MG 1 62 GLN QB 4.590 . 4.590 3.804 3.567 4.103 . 0 0 "[ . 1 . 2]" 1
1840 3 59 ILE MG 3 62 GLN QB 4.590 . 4.590 3.808 3.498 4.078 . 0 0 "[ . 1 . 2]" 1
1841 1 59 ILE HA 1 59 ILE MG 3.310 . 3.310 2.466 2.365 2.513 . 0 0 "[ . 1 . 2]" 1
1842 3 59 ILE HA 3 59 ILE MG 3.310 . 3.310 2.463 2.355 2.514 . 0 0 "[ . 1 . 2]" 1
1843 1 59 ILE MG 1 60 LYS HA 4.130 . 4.130 3.152 3.051 3.312 . 0 0 "[ . 1 . 2]" 1
1844 3 59 ILE MG 3 60 LYS HA 4.130 . 4.130 3.151 3.051 3.307 . 0 0 "[ . 1 . 2]" 1
1845 1 56 TYR HA 1 59 ILE MG 3.880 . 3.880 3.801 3.693 3.914 0.034 20 0 "[ . 1 . 2]" 1
1846 3 56 TYR HA 3 59 ILE MG 3.880 . 3.880 3.795 3.662 3.926 0.046 20 0 "[ . 1 . 2]" 1
1847 1 59 ILE H 1 59 ILE MG 3.900 . 3.900 3.751 3.723 3.773 . 0 0 "[ . 1 . 2]" 1
1848 3 59 ILE H 3 59 ILE MG 3.900 . 3.900 3.750 3.710 3.782 . 0 0 "[ . 1 . 2]" 1
1849 1 56 TYR HA 1 59 ILE HG12 5.500 . 5.500 4.600 4.521 4.690 . 0 0 "[ . 1 . 2]" 1
1850 3 56 TYR HA 3 59 ILE HG12 5.500 . 5.500 4.596 4.516 4.697 . 0 0 "[ . 1 . 2]" 1
1851 1 56 TYR HA 1 59 ILE HG13 5.500 . 5.500 3.612 3.478 3.757 . 0 0 "[ . 1 . 2]" 1
1852 3 56 TYR HA 3 59 ILE HG13 5.500 . 5.500 3.610 3.488 3.723 . 0 0 "[ . 1 . 2]" 1
1853 1 20 ARG HG2 3 59 ILE MD 3.610 . 3.610 2.694 2.281 2.958 . 0 0 "[ . 1 . 2]" 1
1854 1 59 ILE MD 3 20 ARG HG2 3.610 . 3.610 2.703 2.331 2.947 . 0 0 "[ . 1 . 2]" 1
1855 1 20 ARG HG3 3 59 ILE MD 3.610 . 3.610 2.943 2.605 3.341 . 0 0 "[ . 1 . 2]" 1
1856 1 59 ILE MD 3 20 ARG HG3 3.610 . 3.610 2.952 2.637 3.327 . 0 0 "[ . 1 . 2]" 1
1857 1 59 ILE HB 1 59 ILE MD 3.230 . 3.230 2.362 2.334 2.408 . 0 0 "[ . 1 . 2]" 1
1858 3 59 ILE HB 3 59 ILE MD 3.230 . 3.230 2.365 2.324 2.403 . 0 0 "[ . 1 . 2]" 1
1859 1 55 GLN QB 1 59 ILE MD 3.640 . 3.640 2.544 2.455 2.642 . 0 0 "[ . 1 . 2]" 1
1860 3 55 GLN QB 3 59 ILE MD 3.640 . 3.640 2.542 2.442 2.648 . 0 0 "[ . 1 . 2]" 1
1861 1 55 GLN QG 1 59 ILE MD 4.070 . 4.070 4.111 3.952 4.157 0.087 5 0 "[ . 1 . 2]" 1
1862 3 55 GLN QG 3 59 ILE MD 4.070 . 4.070 4.115 3.987 4.172 0.102 5 0 "[ . 1 . 2]" 1
1863 1 59 ILE HA 1 59 ILE MD 3.980 . 3.980 3.811 3.778 3.839 . 0 0 "[ . 1 . 2]" 1
1864 3 59 ILE HA 3 59 ILE MD 3.980 . 3.980 3.812 3.774 3.849 . 0 0 "[ . 1 . 2]" 1
1865 1 56 TYR HB3 1 59 ILE MD 4.230 . 4.230 4.026 3.803 4.190 . 0 0 "[ . 1 . 2]" 1
1866 3 56 TYR HB3 3 59 ILE MD 4.230 . 4.230 4.021 3.895 4.174 . 0 0 "[ . 1 . 2]" 1
1867 1 60 LYS HG3 1 61 LYS HD2 3.790 . 3.790 3.367 2.817 3.794 0.004 19 0 "[ . 1 . 2]" 1
1868 3 60 LYS HG3 3 61 LYS HD2 3.790 . 3.790 3.386 2.761 3.740 . 0 0 "[ . 1 . 2]" 1
1869 1 59 ILE HB 1 60 LYS HG3 5.140 . 5.140 5.203 5.160 5.250 0.110 5 0 "[ . 1 . 2]" 1
1870 3 59 ILE HB 3 60 LYS HG3 5.140 . 5.140 5.206 5.150 5.255 0.115 5 0 "[ . 1 . 2]" 1
1871 1 57 TYR HB2 1 60 LYS HG3 5.480 . 5.480 5.324 5.154 5.496 0.016 1 0 "[ . 1 . 2]" 1
1872 3 57 TYR HB2 3 60 LYS HG3 5.480 . 5.480 5.321 5.145 5.480 0.000 7 0 "[ . 1 . 2]" 1
1873 1 60 LYS HG3 1 61 LYS QE 3.910 . 3.910 2.648 2.338 2.873 . 0 0 "[ . 1 . 2]" 1
1874 3 60 LYS HG3 3 61 LYS QE 3.910 . 3.910 2.669 2.293 2.902 . 0 0 "[ . 1 . 2]" 1
1875 1 63 ASN HB3 1 64 ALA MB 4.410 . 4.410 3.963 3.619 4.412 0.002 17 0 "[ . 1 . 2]" 1
1876 1 63 ASN HB3 1 67 GLN QB 4.880 . 4.880 4.802 3.748 5.022 0.141 2 0 "[ . 1 . 2]" 1
1877 1 63 ASN HB3 1 64 ALA HA 4.040 . 4.040 3.929 3.775 4.045 0.005 8 0 "[ . 1 . 2]" 1
1878 1 58 ASN H 1 58 ASN HB3 3.520 . 3.520 2.849 2.465 3.562 0.042 15 0 "[ . 1 . 2]" 1
1879 3 58 ASN H 3 58 ASN HB3 3.520 . 3.520 2.860 2.526 3.561 0.041 15 0 "[ . 1 . 2]" 1
1880 1 70 VAL HA 1 71 ALA MB 5.120 . 5.120 4.993 4.963 5.019 . 0 0 "[ . 1 . 2]" 1
1881 3 70 VAL HA 3 71 ALA MB 5.120 . 5.120 4.985 4.933 5.026 . 0 0 "[ . 1 . 2]" 1
1882 1 70 VAL HA 1 73 GLU QB 4.200 . 4.200 3.152 2.277 4.216 0.016 2 0 "[ . 1 . 2]" 1
1883 3 70 VAL HA 3 73 GLU QB 4.200 . 4.200 3.181 2.404 4.254 0.054 7 0 "[ . 1 . 2]" 1
1884 1 70 VAL HA 1 74 GLY H 4.710 . 4.710 3.870 3.702 4.104 . 0 0 "[ . 1 . 2]" 1
1885 3 70 VAL HA 3 74 GLY H 4.710 . 4.710 3.879 3.650 4.074 . 0 0 "[ . 1 . 2]" 1
1886 1 67 GLN HA 1 70 VAL HB 4.230 . 4.230 3.988 2.582 4.299 0.069 10 0 "[ . 1 . 2]" 1
1887 3 67 GLN HA 3 70 VAL HB 4.230 . 4.230 3.952 2.024 4.284 0.054 10 0 "[ . 1 . 2]" 1
1888 1 70 VAL H 1 70 VAL HB 3.340 . 3.340 2.606 2.446 2.738 . 0 0 "[ . 1 . 2]" 1
1889 3 70 VAL H 3 70 VAL HB 3.340 . 3.340 2.595 2.494 2.708 . 0 0 "[ . 1 . 2]" 1
1890 1 70 VAL HA 1 70 VAL MG1 3.370 . 3.370 3.149 2.394 3.247 . 0 0 "[ . 1 . 2]" 1
1891 3 70 VAL HA 3 70 VAL MG1 3.370 . 3.370 3.155 2.432 3.260 . 0 0 "[ . 1 . 2]" 1
1892 1 67 GLN HA 1 70 VAL MG1 4.580 . 4.580 2.074 1.698 4.132 . 0 0 "[ . 1 . 2]" 1
1893 3 67 GLN HA 3 70 VAL MG1 4.580 . 4.580 2.049 1.714 4.006 . 0 0 "[ . 1 . 2]" 1
1894 1 70 VAL MG1 1 71 ALA H 4.360 . 4.360 2.372 2.167 3.322 . 0 0 "[ . 1 . 2]" 1
1895 3 70 VAL MG1 3 71 ALA H 4.360 . 4.360 2.369 2.163 3.230 . 0 0 "[ . 1 . 2]" 1
1896 1 70 VAL MG2 1 71 ALA MB 4.960 . 4.960 4.372 4.070 4.765 . 0 0 "[ . 1 . 2]" 1
1897 3 70 VAL MG2 3 71 ALA MB 4.960 . 4.960 4.374 4.157 4.722 . 0 0 "[ . 1 . 2]" 1
1898 1 70 VAL HA 1 70 VAL MG2 3.370 . 3.370 2.364 2.295 2.434 . 0 0 "[ . 1 . 2]" 1
1899 3 70 VAL HA 3 70 VAL MG2 3.370 . 3.370 2.361 2.310 2.433 . 0 0 "[ . 1 . 2]" 1
1900 1 67 GLN HA 1 70 VAL MG2 4.580 . 4.580 4.392 3.153 4.640 0.060 16 0 "[ . 1 . 2]" 1
1901 3 67 GLN HA 3 70 VAL MG2 4.580 . 4.580 4.356 2.055 4.666 0.086 20 0 "[ . 1 . 2]" 1
1902 1 70 VAL H 1 70 VAL MG2 4.080 . 4.080 3.640 2.056 3.850 . 0 0 "[ . 1 . 2]" 1
1903 3 70 VAL H 3 70 VAL MG2 4.080 . 4.080 3.640 2.003 3.840 . 0 0 "[ . 1 . 2]" 1
1904 1 70 VAL MG2 1 71 ALA H 4.360 . 4.360 3.772 3.596 3.978 . 0 0 "[ . 1 . 2]" 1
1905 3 70 VAL MG2 3 71 ALA H 4.360 . 4.360 3.787 3.559 3.930 . 0 0 "[ . 1 . 2]" 1
1906 1 78 ILE H 1 78 ILE HB 3.740 . 3.740 2.798 2.636 3.696 . 0 0 "[ . 1 . 2]" 1
1907 3 78 ILE H 3 78 ILE HB 3.740 . 3.740 2.803 2.651 3.705 . 0 0 "[ . 1 . 2]" 1
1908 1 78 ILE MG 1 79 LYS H 4.180 . 4.180 3.274 3.062 4.099 . 0 0 "[ . 1 . 2]" 1
1909 3 78 ILE MG 3 79 LYS H 4.180 . 4.180 3.280 3.060 4.119 . 0 0 "[ . 1 . 2]" 1
1910 1 54 VAL HA 1 54 VAL MG2 3.020 . 3.020 2.372 2.336 2.409 . 0 0 "[ . 1 . 2]" 1
1911 3 54 VAL HA 3 54 VAL MG2 3.020 . 3.020 2.372 2.332 2.397 . 0 0 "[ . 1 . 2]" 1
1912 1 54 VAL HA 1 57 TYR HB3 3.600 . 3.600 2.317 2.128 2.486 . 0 0 "[ . 1 . 2]" 1
1913 3 54 VAL HA 3 57 TYR HB3 3.600 . 3.600 2.322 2.182 2.485 . 0 0 "[ . 1 . 2]" 1
1914 1 36 TRP HA 1 36 TRP HD1 3.460 . 3.460 3.428 3.155 3.650 0.190 6 0 "[ . 1 . 2]" 1
1915 3 36 TRP HA 3 36 TRP HD1 3.460 . 3.460 3.424 3.172 3.642 0.182 6 0 "[ . 1 . 2]" 1
1916 1 62 GLN QB 1 63 ASN HA 4.560 . 4.560 4.021 3.759 4.242 . 0 0 "[ . 1 . 2]" 1
1917 3 62 GLN QB 3 63 ASN HA 4.560 . 4.560 4.026 3.747 4.171 . 0 0 "[ . 1 . 2]" 1
1918 1 63 ASN HA 1 66 LYS QB 3.900 . 3.900 2.656 2.278 3.955 0.055 20 0 "[ . 1 . 2]" 1
1919 3 63 ASN HA 3 66 LYS QB 3.900 . 3.900 2.623 2.179 3.946 0.046 20 0 "[ . 1 . 2]" 1
1920 1 63 ASN HA 1 64 ALA MB 5.500 . 5.500 5.041 4.992 5.092 . 0 0 "[ . 1 . 2]" 1
1921 3 63 ASN HA 3 64 ALA MB 5.500 . 5.500 5.038 4.989 5.072 . 0 0 "[ . 1 . 2]" 1
1922 1 34 SER HA 1 37 TYR HD1 3.830 . 3.830 3.203 2.834 3.685 . 0 0 "[ . 1 . 2]" 1
1923 3 34 SER HA 3 37 TYR HD1 3.830 . 3.830 3.220 2.827 3.693 . 0 0 "[ . 1 . 2]" 1
1924 1 34 SER HA 1 36 TRP H 3.990 . 3.990 3.508 3.350 3.690 . 0 0 "[ . 1 . 2]" 1
1925 3 34 SER HA 3 36 TRP H 3.990 . 3.990 3.514 3.376 3.634 . 0 0 "[ . 1 . 2]" 1
1926 1 75 ALA HA 1 78 ILE MD 3.940 . 3.940 3.545 2.439 3.997 0.057 5 0 "[ . 1 . 2]" 1
1927 3 75 ALA HA 3 78 ILE MD 3.940 . 3.940 3.546 2.502 4.009 0.069 19 0 "[ . 1 . 2]" 1
1928 1 74 GLY QA 1 75 ALA HA 4.790 . 4.790 3.899 3.815 3.996 . 0 0 "[ . 1 . 2]" 1
1929 3 74 GLY QA 3 75 ALA HA 4.790 . 4.790 3.892 3.780 3.992 . 0 0 "[ . 1 . 2]" 1
1930 1 60 LYS HA 1 64 ALA MB 4.050 . 4.050 4.080 3.969 4.123 0.073 4 0 "[ . 1 . 2]" 1
1931 3 60 LYS HA 3 64 ALA MB 4.050 . 4.050 4.079 3.916 4.124 0.074 18 0 "[ . 1 . 2]" 1
1932 1 60 LYS HA 1 63 ASN HB3 3.560 . 3.560 2.855 2.124 3.628 0.068 7 0 "[ . 1 . 2]" 1
1933 3 60 LYS HA 3 63 ASN HB3 3.910 . 3.910 2.899 2.175 3.913 0.003 7 0 "[ . 1 . 2]" 1
1934 1 30 LEU HB3 1 31 GLU HA 4.220 . 4.220 4.114 4.024 4.192 . 0 0 "[ . 1 . 2]" 1
1935 3 30 LEU HB3 3 31 GLU HA 4.220 . 4.220 4.133 4.058 4.209 . 0 0 "[ . 1 . 2]" 1
1936 1 31 GLU HA 1 31 GLU HG3 3.970 . 3.970 3.726 3.587 3.805 . 0 0 "[ . 1 . 2]" 1
1937 3 31 GLU HA 3 31 GLU HG3 3.970 . 3.970 3.724 3.651 3.821 . 0 0 "[ . 1 . 2]" 1
1938 1 31 GLU HA 1 31 GLU HG2 3.970 . 3.970 3.724 3.613 3.807 . 0 0 "[ . 1 . 2]" 1
1939 3 31 GLU HA 3 31 GLU HG2 3.970 . 3.970 3.735 3.625 3.814 . 0 0 "[ . 1 . 2]" 1
1940 1 26 ALA HA 1 29 GLU QG 4.130 . 4.130 2.017 1.853 2.464 . 0 0 "[ . 1 . 2]" 1
1941 3 26 ALA HA 3 29 GLU QG 4.130 . 4.130 2.013 1.862 2.548 . 0 0 "[ . 1 . 2]" 1
1942 1 26 ALA MB 1 30 LEU MD2 3.860 . 3.860 3.538 3.374 3.697 . 0 0 "[ . 1 . 2]" 1
1943 1 23 LEU MD1 1 26 ALA MB 4.070 . 4.070 3.091 2.828 3.544 . 0 0 "[ . 1 . 2]" 1
1944 3 23 LEU MD1 3 26 ALA MB 4.070 . 4.070 3.078 2.742 3.515 . 0 0 "[ . 1 . 2]" 1
1945 1 26 ALA MB 1 45 TRP HD1 4.310 . 4.310 4.232 3.801 4.372 0.062 7 0 "[ . 1 . 2]" 1
1946 3 26 ALA MB 3 45 TRP HD1 4.310 . 4.310 4.229 3.752 4.388 0.078 7 0 "[ . 1 . 2]" 1
1947 1 26 ALA MB 1 30 LEU HB2 3.550 . 3.550 3.632 3.589 3.662 0.112 15 0 "[ . 1 . 2]" 1
1948 3 26 ALA MB 3 30 LEU HB2 3.550 . 3.550 3.625 3.588 3.652 0.102 5 0 "[ . 1 . 2]" 1
1949 1 64 ALA MB 1 68 LEU HG 3.700 . 3.700 3.523 3.324 3.723 0.023 12 0 "[ . 1 . 2]" 1
1950 3 64 ALA MB 3 68 LEU HG 3.700 . 3.700 3.539 3.341 3.716 0.016 12 0 "[ . 1 . 2]" 1
1951 1 60 LYS QB 1 64 ALA MB 3.320 . 3.320 3.325 3.134 3.400 0.080 13 0 "[ . 1 . 2]" 1
1952 3 60 LYS QB 3 64 ALA MB 3.320 . 3.320 3.318 3.122 3.409 0.089 20 0 "[ . 1 . 2]" 1
1953 1 26 ALA MB 1 29 GLU QG 3.630 . 3.630 3.421 3.328 3.628 . 0 0 "[ . 1 . 2]" 1
1954 3 26 ALA MB 3 29 GLU QG 3.630 . 3.630 3.422 3.312 3.601 . 0 0 "[ . 1 . 2]" 1
1955 1 26 ALA H 1 26 ALA MB 2.720 . 2.720 2.260 2.213 2.302 . 0 0 "[ . 1 . 2]" 1
1956 3 26 ALA H 3 26 ALA MB 2.720 . 2.720 2.257 2.203 2.294 . 0 0 "[ . 1 . 2]" 1
1957 1 78 ILE HA 1 78 ILE HG13 3.980 . 3.980 3.237 3.160 3.867 . 0 0 "[ . 1 . 2]" 1
1958 3 78 ILE HA 3 78 ILE HG13 3.980 . 3.980 3.239 3.146 3.849 . 0 0 "[ . 1 . 2]" 1
1959 1 78 ILE HA 1 78 ILE MG 3.380 . 3.380 2.256 2.139 2.330 . 0 0 "[ . 1 . 2]" 1
1960 3 78 ILE HA 3 78 ILE MG 3.380 . 3.380 2.263 2.163 2.347 . 0 0 "[ . 1 . 2]" 1
1961 1 18 GLN H 1 18 GLN HB2 3.560 . 3.560 2.435 2.315 2.601 . 0 0 "[ . 1 . 2]" 1
1962 3 18 GLN H 3 18 GLN HB2 3.560 . 3.560 2.435 2.340 2.500 . 0 0 "[ . 1 . 2]" 1
1963 1 47 GLN HB2 1 48 LEU H 3.970 . 3.970 3.804 3.655 3.961 . 0 0 "[ . 1 . 2]" 1
1964 3 47 GLN HB2 3 48 LEU H 3.970 . 3.970 3.823 3.670 3.937 . 0 0 "[ . 1 . 2]" 1
1965 1 19 VAL HA 1 19 VAL MG2 3.210 . 3.210 2.208 2.124 2.275 . 0 0 "[ . 1 . 2]" 1
1966 3 19 VAL HA 3 19 VAL MG2 3.210 . 3.210 2.202 2.100 2.249 . 0 0 "[ . 1 . 2]" 1
1967 1 54 VAL HA 1 54 VAL MG1 3.580 . 3.580 2.457 2.430 2.494 . 0 0 "[ . 1 . 2]" 1
1968 3 54 VAL HA 3 54 VAL MG1 3.580 . 3.580 2.454 2.423 2.474 . 0 0 "[ . 1 . 2]" 1
1969 1 30 LEU HB2 1 30 LEU MD2 3.570 . 3.570 2.170 2.124 2.211 . 0 0 "[ . 1 . 2]" 1
1970 1 16 LEU HB2 1 17 GLU H 3.450 . 3.450 3.520 3.489 3.554 0.104 9 0 "[ . 1 . 2]" 1
1971 3 16 LEU HB2 3 17 GLU H 3.450 . 3.450 3.520 3.488 3.559 0.109 9 0 "[ . 1 . 2]" 1
1972 1 47 GLN HA 1 50 HIS HB3 4.470 . 4.470 3.212 2.526 3.733 . 0 0 "[ . 1 . 2]" 1
1973 3 47 GLN HA 3 50 HIS HB3 4.470 . 4.470 3.213 2.561 3.750 . 0 0 "[ . 1 . 2]" 1
1974 1 54 VAL HB 1 55 GLN QG 4.230 . 4.230 3.924 3.771 4.172 . 0 0 "[ . 1 . 2]" 1
1975 3 54 VAL HB 3 55 GLN QG 4.230 . 4.230 3.897 3.679 4.109 . 0 0 "[ . 1 . 2]" 1
1976 1 58 ASN HB2 1 59 ILE MD 5.500 . 5.500 5.413 4.760 5.618 0.118 14 0 "[ . 1 . 2]" 1
1977 3 58 ASN HB2 3 59 ILE MD 5.500 . 5.500 5.413 4.784 5.626 0.126 18 0 "[ . 1 . 2]" 1
1978 1 59 ILE MD 1 60 LYS H 4.520 . 4.520 4.364 4.285 4.435 . 0 0 "[ . 1 . 2]" 1
1979 3 59 ILE MD 3 60 LYS H 4.520 . 4.520 4.371 4.291 4.462 . 0 0 "[ . 1 . 2]" 1
1980 1 48 LEU H 1 48 LEU HB3 3.700 . 3.700 3.513 3.415 3.677 . 0 0 "[ . 1 . 2]" 1
1981 3 48 LEU H 3 48 LEU HB3 3.700 . 3.700 3.515 3.420 3.676 . 0 0 "[ . 1 . 2]" 1
1982 1 54 VAL HA 1 57 TYR H 4.090 . 4.090 3.658 3.512 3.852 . 0 0 "[ . 1 . 2]" 1
1983 3 54 VAL HA 3 57 TYR H 4.090 . 4.090 3.665 3.437 3.868 . 0 0 "[ . 1 . 2]" 1
1984 1 39 PRO HA 1 42 LEU HB3 3.630 . 3.630 2.932 2.702 3.291 . 0 0 "[ . 1 . 2]" 1
1985 3 39 PRO HA 3 42 LEU HB3 3.630 . 3.630 2.918 2.667 3.283 . 0 0 "[ . 1 . 2]" 1
1986 1 45 TRP HA 1 48 LEU H 4.150 . 4.150 3.584 3.466 3.765 . 0 0 "[ . 1 . 2]" 1
1987 3 45 TRP HA 3 48 LEU H 4.150 . 4.150 3.574 3.446 3.761 . 0 0 "[ . 1 . 2]" 1
1988 1 24 ARG HA 1 27 GLU HA 5.500 . 5.500 5.049 4.781 5.379 . 0 0 "[ . 1 . 2]" 1
1989 3 24 ARG HA 3 27 GLU HA 5.500 . 5.500 5.059 4.807 5.456 . 0 0 "[ . 1 . 2]" 1
1990 1 80 LYS HA 1 80 LYS QG 3.850 . 3.850 3.265 2.461 3.528 . 0 0 "[ . 1 . 2]" 1
1991 3 80 LYS HA 3 80 LYS QG 3.850 . 3.850 3.266 2.388 3.547 . 0 0 "[ . 1 . 2]" 1
1992 1 8 ARG HA 1 8 ARG QD 3.610 . 3.610 2.664 1.956 3.682 0.072 6 0 "[ . 1 . 2]" 1
1993 3 8 ARG HA 3 8 ARG QD 3.610 . 3.610 2.703 1.909 3.677 0.067 8 0 "[ . 1 . 2]" 1
1994 1 27 GLU HG2 1 30 LEU HB3 5.390 . 5.390 4.884 4.673 4.994 . 0 0 "[ . 1 . 2]" 1
1995 1 30 LEU HB3 1 31 GLU QB 5.500 . 5.500 4.027 3.868 4.178 . 0 0 "[ . 1 . 2]" 1
1996 3 30 LEU HB3 3 31 GLU QB 5.500 . 5.500 4.048 3.851 4.180 . 0 0 "[ . 1 . 2]" 1
1997 1 27 GLU HA 1 30 LEU HB2 3.920 . 3.920 3.292 3.143 3.375 . 0 0 "[ . 1 . 2]" 1
1998 3 27 GLU HA 3 30 LEU HB2 3.920 . 3.920 3.367 3.164 3.492 . 0 0 "[ . 1 . 2]" 1
1999 1 52 VAL HB 3 16 LEU HB2 4.160 . 4.160 3.075 2.708 3.208 . 0 0 "[ . 1 . 2]" 1
2000 1 16 LEU HB2 3 52 VAL HB 4.160 . 4.160 3.069 2.674 3.253 . 0 0 "[ . 1 . 2]" 1
2001 1 42 LEU HB3 1 42 LEU MD2 3.300 . 3.300 2.172 2.140 2.227 . 0 0 "[ . 1 . 2]" 1
2002 3 42 LEU HB3 3 42 LEU MD2 3.300 . 3.300 2.183 2.123 2.249 . 0 0 "[ . 1 . 2]" 1
2003 1 42 LEU HB3 1 43 GLN HA 4.740 . 4.740 4.304 4.015 4.741 0.001 20 0 "[ . 1 . 2]" 1
2004 3 42 LEU HB3 3 43 GLN HA 4.740 . 4.740 4.299 4.038 4.697 . 0 0 "[ . 1 . 2]" 1
2005 1 42 LEU HB3 1 43 GLN H 3.960 . 3.960 2.567 2.252 2.916 . 0 0 "[ . 1 . 2]" 1
2006 3 42 LEU HB3 3 43 GLN H 3.960 . 3.960 2.571 2.324 2.889 . 0 0 "[ . 1 . 2]" 1
2007 1 42 LEU HB3 1 43 GLN QB 4.930 . 4.930 4.298 3.709 4.958 0.028 20 0 "[ . 1 . 2]" 1
2008 3 42 LEU HB3 3 43 GLN QB 4.930 . 4.930 4.291 3.737 4.951 0.021 20 0 "[ . 1 . 2]" 1
2009 1 42 LEU HB3 2 16 GLN HB3 5.200 . 5.200 4.286 4.001 4.521 . 0 0 "[ . 1 . 2]" 1
2010 3 42 LEU HB3 4 16 GLN HB3 5.200 . 5.200 4.272 4.000 4.495 . 0 0 "[ . 1 . 2]" 1
2011 1 42 LEU HB2 1 42 LEU MD1 3.180 . 3.180 2.141 2.107 2.187 . 0 0 "[ . 1 . 2]" 1
2012 3 42 LEU HB2 3 42 LEU MD1 3.180 . 3.180 2.138 2.094 2.170 . 0 0 "[ . 1 . 2]" 1
2013 1 16 LEU HB3 3 23 LEU HB3 4.210 . 4.210 4.291 4.262 4.315 0.105 9 0 "[ . 1 . 2]" 1
2014 1 23 LEU HB3 3 16 LEU HB3 4.210 . 4.210 4.287 4.240 4.322 0.112 6 0 "[ . 1 . 2]" 1
2015 1 37 TYR HB2 1 37 TYR HD1 3.710 . 3.710 2.606 2.540 2.709 . 0 0 "[ . 1 . 2]" 1
2016 3 37 TYR HB2 3 37 TYR HD1 3.710 . 3.710 2.593 2.538 2.719 . 0 0 "[ . 1 . 2]" 1
2017 1 37 TYR HB2 1 37 TYR HE2 4.880 . 4.880 5.317 5.247 5.371 0.491 20 0 "[ . 1 . 2]" 1
2018 3 37 TYR HB2 3 37 TYR HE2 4.880 . 4.880 5.310 5.244 5.359 0.479 7 0 "[ . 1 . 2]" 1
2019 1 37 TYR HB2 1 38 ALA MB 5.420 . 5.420 3.534 3.465 3.612 . 0 0 "[ . 1 . 2]" 1
2020 3 37 TYR HB2 3 38 ALA MB 5.420 . 5.420 3.528 3.459 3.593 . 0 0 "[ . 1 . 2]" 1
2021 1 37 TYR HB2 1 41 ALA MB 5.500 . 5.500 4.013 3.702 4.304 . 0 0 "[ . 1 . 2]" 1
2022 3 37 TYR HB2 3 41 ALA MB 5.500 . 5.500 4.053 3.725 4.387 . 0 0 "[ . 1 . 2]" 1
2023 1 7 SER HA 1 8 ARG QD 4.760 . 4.760 4.145 3.271 4.779 0.019 17 0 "[ . 1 . 2]" 1
2024 3 7 SER HA 3 8 ARG QD 4.760 . 4.760 4.189 3.222 4.758 . 0 0 "[ . 1 . 2]" 1
2025 1 24 ARG H 1 24 ARG HD3 4.330 . 4.330 3.596 2.632 4.403 0.073 3 0 "[ . 1 . 2]" 1
2026 3 24 ARG H 3 24 ARG HD3 4.330 . 4.330 3.640 2.579 4.406 0.076 3 0 "[ . 1 . 2]" 1
2027 1 60 LYS HA 1 63 ASN HB2 3.910 . 3.910 2.530 1.904 3.195 . 0 0 "[ . 1 . 2]" 1
2028 3 60 LYS HA 3 63 ASN HB2 3.910 . 3.910 2.624 1.987 3.323 . 0 0 "[ . 1 . 2]" 1
2029 1 63 ASN HB2 1 64 ALA H 4.230 . 4.230 3.188 2.278 3.808 . 0 0 "[ . 1 . 2]" 1
2030 3 63 ASN HB2 3 64 ALA H 4.230 . 4.230 3.211 2.221 3.834 . 0 0 "[ . 1 . 2]" 1
2031 1 63 ASN H 1 63 ASN HB2 3.930 . 3.930 2.407 2.219 2.546 . 0 0 "[ . 1 . 2]" 1
2032 3 63 ASN H 3 63 ASN HB2 3.930 . 3.930 2.480 2.351 2.602 . 0 0 "[ . 1 . 2]" 1
2033 1 37 TYR HB3 1 38 ALA MB 4.820 . 4.820 4.867 4.795 4.922 0.102 1 0 "[ . 1 . 2]" 1
2034 3 37 TYR HB3 3 38 ALA MB 4.820 . 4.820 4.871 4.806 4.940 0.120 1 0 "[ . 1 . 2]" 1
2035 1 37 TYR HB3 1 41 ALA MB 5.270 . 5.270 5.044 4.719 5.337 0.067 5 0 "[ . 1 . 2]" 1
2036 3 37 TYR HB3 3 41 ALA MB 5.270 . 5.270 5.081 4.754 5.412 0.142 5 0 "[ . 1 . 2]" 1
2037 1 23 LEU HB2 1 27 GLU HG3 5.350 . 5.350 4.947 4.851 5.133 . 0 0 "[ . 1 . 2]" 1
2038 1 27 GLU HG2 1 30 LEU MD2 5.500 . 5.500 5.585 5.533 5.626 0.126 12 0 "[ . 1 . 2]" 1
2039 1 24 ARG HA 1 27 GLU HG2 4.960 . 4.960 4.454 4.210 5.021 0.061 20 0 "[ . 1 . 2]" 1
2040 1 18 GLN HB2 1 19 VAL H 4.310 . 4.310 2.781 2.545 2.959 . 0 0 "[ . 1 . 2]" 1
2041 3 18 GLN HB2 3 19 VAL H 4.310 . 4.310 2.772 2.565 3.022 . 0 0 "[ . 1 . 2]" 1
2042 1 18 GLN HB2 1 22 ALA MB 4.950 . 4.950 4.623 4.350 4.749 . 0 0 "[ . 1 . 2]" 1
2043 3 18 GLN HB2 3 22 ALA MB 4.950 . 4.950 4.621 4.405 4.852 . 0 0 "[ . 1 . 2]" 1
2044 1 78 ILE HA 1 78 ILE HG12 3.980 . 3.980 2.882 2.704 4.081 0.101 10 0 "[ . 1 . 2]" 1
2045 3 78 ILE HA 3 78 ILE HG12 3.980 . 3.980 2.884 2.699 4.079 0.099 10 0 "[ . 1 . 2]" 1
2046 1 60 LYS HG2 1 61 LYS QE 4.320 . 4.320 4.167 3.791 4.431 0.111 7 0 "[ . 1 . 2]" 1
2047 3 60 LYS HG2 3 61 LYS QE 4.320 . 4.320 4.188 3.739 4.462 0.142 7 0 "[ . 1 . 2]" 1
2048 1 60 LYS H 1 60 LYS HG2 3.830 . 3.830 2.287 2.011 2.440 . 0 0 "[ . 1 . 2]" 1
2049 3 60 LYS H 3 60 LYS HG2 3.830 . 3.830 2.291 1.999 2.443 . 0 0 "[ . 1 . 2]" 1
2050 1 60 LYS HA 1 60 LYS HG3 3.980 . 3.980 3.754 3.673 3.828 . 0 0 "[ . 1 . 2]" 1
2051 3 60 LYS HA 3 60 LYS HG3 3.980 . 3.980 3.754 3.685 3.820 . 0 0 "[ . 1 . 2]" 1
2052 1 57 TYR HA 1 60 LYS HG3 4.590 . 4.590 2.984 2.869 3.121 . 0 0 "[ . 1 . 2]" 1
2053 3 57 TYR HA 3 60 LYS HG3 4.590 . 4.590 2.980 2.864 3.123 . 0 0 "[ . 1 . 2]" 1
2054 1 60 LYS QD 1 61 LYS QE 3.460 . 3.460 3.297 3.073 3.524 0.064 18 0 "[ . 1 . 2]" 1
2055 3 60 LYS QD 3 61 LYS QE 3.460 . 3.460 3.319 3.106 3.538 0.078 19 0 "[ . 1 . 2]" 1
2056 1 7 SER HA 1 9 GLN QB 5.390 . 5.390 5.017 3.736 5.460 0.070 14 0 "[ . 1 . 2]" 1
2057 3 7 SER HA 3 9 GLN QB 5.390 . 5.390 5.004 3.603 5.468 0.078 14 0 "[ . 1 . 2]" 1
2058 1 20 ARG QD 3 52 VAL MG1 5.160 . 5.160 3.062 1.941 4.202 . 0 0 "[ . 1 . 2]" 1
2059 1 52 VAL MG1 3 20 ARG QD 5.160 . 5.160 3.064 1.901 4.255 . 0 0 "[ . 1 . 2]" 1
2060 1 47 GLN H 1 47 GLN QG 4.040 . 4.040 3.984 3.943 4.061 0.021 17 0 "[ . 1 . 2]" 1
2061 3 47 GLN H 3 47 GLN QG 4.040 . 4.040 3.990 3.960 4.068 0.028 17 0 "[ . 1 . 2]" 1
2062 1 68 LEU H 1 68 LEU HG 3.510 . 3.510 2.487 2.364 2.650 . 0 0 "[ . 1 . 2]" 1
2063 3 68 LEU H 3 68 LEU HG 3.510 . 3.510 2.488 2.335 2.588 . 0 0 "[ . 1 . 2]" 1
2064 1 59 ILE MG 1 63 ASN HB3 4.870 . 4.870 4.501 4.127 4.999 0.129 18 0 "[ . 1 . 2]" 1
2065 1 36 TRP HA 1 36 TRP HE3 5.120 . 5.120 4.247 3.340 4.555 . 0 0 "[ . 1 . 2]" 1
2066 3 36 TRP HA 3 36 TRP HE3 5.120 . 5.120 4.245 3.340 4.606 . 0 0 "[ . 1 . 2]" 1
2067 1 57 TYR HB3 1 57 TYR HD1 3.740 . 3.740 3.659 3.599 3.695 . 0 0 "[ . 1 . 2]" 1
2068 3 57 TYR HB3 3 57 TYR HD1 3.740 . 3.740 3.666 3.634 3.709 . 0 0 "[ . 1 . 2]" 1
2069 1 57 TYR HB2 1 57 TYR HD1 3.520 . 3.520 2.562 2.421 2.693 . 0 0 "[ . 1 . 2]" 1
2070 3 57 TYR HB2 3 57 TYR HD1 3.520 . 3.520 2.578 2.475 2.703 . 0 0 "[ . 1 . 2]" 1
2071 1 11 TYR HA 1 11 TYR HD1 4.180 . 4.180 4.134 4.051 4.202 0.022 7 0 "[ . 1 . 2]" 1
2072 3 11 TYR HA 3 11 TYR HD1 4.180 . 4.180 4.124 4.031 4.196 0.016 18 0 "[ . 1 . 2]" 1
2073 1 37 TYR HA 1 37 TYR HD1 4.660 . 4.660 4.300 4.132 4.428 . 0 0 "[ . 1 . 2]" 1
2074 3 37 TYR HA 3 37 TYR HD1 4.660 . 4.660 4.275 4.101 4.411 . 0 0 "[ . 1 . 2]" 1
2075 1 56 TYR HD1 1 57 TYR HD1 5.500 . 5.500 5.224 4.343 5.568 0.068 20 0 "[ . 1 . 2]" 1
2076 3 56 TYR HD1 3 57 TYR HD1 5.500 . 5.500 5.212 4.594 5.553 0.053 3 0 "[ . 1 . 2]" 1
2077 1 34 SER HB2 1 37 TYR HD1 5.500 . 5.500 5.286 4.636 5.580 0.080 13 0 "[ . 1 . 2]" 1
2078 3 34 SER HB2 3 37 TYR HD1 5.500 . 5.500 5.303 4.723 5.591 0.091 13 0 "[ . 1 . 2]" 1
2079 1 34 SER HB3 1 37 TYR HD1 5.500 . 5.500 4.594 4.013 5.506 0.006 15 0 "[ . 1 . 2]" 1
2080 3 34 SER HB3 3 37 TYR HD1 5.500 . 5.500 4.603 4.022 5.528 0.028 15 0 "[ . 1 . 2]" 1
2081 1 37 TYR HD1 1 41 ALA MB 4.510 . 4.510 2.478 2.251 2.762 . 0 0 "[ . 1 . 2]" 1
2082 3 37 TYR HD1 3 41 ALA MB 4.510 . 4.510 2.523 2.275 2.955 . 0 0 "[ . 1 . 2]" 1
2083 1 11 TYR HD1 1 12 ALA HA 4.680 . 4.680 3.075 2.785 3.414 . 0 0 "[ . 1 . 2]" 1
2084 3 11 TYR HD1 3 12 ALA HA 4.680 . 4.680 3.045 2.807 3.460 . 0 0 "[ . 1 . 2]" 1
2085 1 11 TYR HD1 1 12 ALA MB 5.120 . 5.120 4.049 3.574 4.293 . 0 0 "[ . 1 . 2]" 1
2086 3 11 TYR HD1 3 12 ALA MB 5.120 . 5.120 4.009 3.490 4.335 . 0 0 "[ . 1 . 2]" 1
2087 1 57 TYR H 1 57 TYR HD1 4.980 . 4.980 4.626 4.525 4.708 . 0 0 "[ . 1 . 2]" 1
2088 3 57 TYR H 3 57 TYR HD1 4.980 . 4.980 4.640 4.531 4.761 . 0 0 "[ . 1 . 2]" 1
2089 1 57 TYR HD1 1 61 LYS HD2 4.980 . 4.980 3.572 3.337 3.997 . 0 0 "[ . 1 . 2]" 1
2090 3 57 TYR HD1 3 61 LYS HD2 4.980 . 4.980 3.561 3.324 4.033 . 0 0 "[ . 1 . 2]" 1
2091 2 4 LEU HB3 3 57 TYR HD1 5.270 . 5.270 3.370 2.878 4.236 . 0 0 "[ . 1 . 2]" 1
2092 1 57 TYR HD1 4 4 LEU HB3 5.270 . 5.270 3.370 2.734 4.259 . 0 0 "[ . 1 . 2]" 1
2093 1 57 TYR HD1 1 60 LYS QD 4.540 . 4.540 4.223 3.414 4.588 0.048 13 0 "[ . 1 . 2]" 1
2094 3 57 TYR HD1 3 60 LYS QD 4.540 . 4.540 4.208 3.307 4.572 0.032 13 0 "[ . 1 . 2]" 1
2095 2 4 LEU MD2 3 57 TYR HD1 5.120 . 5.120 3.421 3.039 3.707 . 0 0 "[ . 1 . 2]" 1
2096 1 57 TYR HD1 4 4 LEU MD2 5.120 . 5.120 3.396 2.928 3.725 . 0 0 "[ . 1 . 2]" 1
2097 1 56 TYR H 1 56 TYR HD1 5.050 . 5.050 4.807 4.469 4.999 . 0 0 "[ . 1 . 2]" 1
2098 3 56 TYR H 3 56 TYR HD1 5.050 . 5.050 4.792 4.472 5.009 . 0 0 "[ . 1 . 2]" 1
2099 1 27 GLU QB 1 45 TRP HH2 4.480 . 4.480 3.730 3.600 3.955 . 0 0 "[ . 1 . 2]" 1
2100 3 27 GLU QB 3 45 TRP HH2 4.480 . 4.480 3.734 3.581 3.975 . 0 0 "[ . 1 . 2]" 1
2101 1 45 TRP HH2 1 46 LEU MD2 4.600 . 4.600 2.834 2.746 2.985 . 0 0 "[ . 1 . 2]" 1
2102 3 45 TRP HH2 3 46 LEU MD2 4.600 . 4.600 2.835 2.751 3.007 . 0 0 "[ . 1 . 2]" 1
2103 1 42 LEU HB2 1 45 TRP HZ3 4.520 . 4.520 4.395 4.058 4.548 0.028 2 0 "[ . 1 . 2]" 1
2104 3 42 LEU HB2 3 45 TRP HZ3 4.520 . 4.520 4.399 4.099 4.551 0.031 2 0 "[ . 1 . 2]" 1
2105 1 45 TRP HA 1 45 TRP HE3 5.020 . 5.020 4.871 4.806 4.938 . 0 0 "[ . 1 . 2]" 1
2106 3 45 TRP HA 3 45 TRP HE3 5.020 . 5.020 4.859 4.794 4.924 . 0 0 "[ . 1 . 2]" 1
2107 1 42 LEU MD2 1 45 TRP HE3 4.590 . 4.590 3.507 3.330 3.720 . 0 0 "[ . 1 . 2]" 1
2108 3 42 LEU MD2 3 45 TRP HE3 4.590 . 4.590 3.518 3.356 3.685 . 0 0 "[ . 1 . 2]" 1
2109 1 30 LEU HA 1 37 TYR HE2 5.270 . 5.270 5.082 4.770 5.294 0.024 6 0 "[ . 1 . 2]" 1
2110 3 30 LEU HA 3 37 TYR HE2 5.270 . 5.270 5.081 4.685 5.302 0.032 7 0 "[ . 1 . 2]" 1
2111 1 33 HIS HB3 1 37 TYR HE2 4.710 . 4.710 2.284 1.993 3.122 . 0 0 "[ . 1 . 2]" 1
2112 3 33 HIS HB3 3 37 TYR HE2 4.710 . 4.710 2.280 1.977 3.148 . 0 0 "[ . 1 . 2]" 1
2113 1 33 HIS HB2 1 37 TYR HE2 4.710 . 4.710 3.568 3.141 4.376 . 0 0 "[ . 1 . 2]" 1
2114 3 33 HIS HB2 3 37 TYR HE2 4.710 . 4.710 3.573 3.145 4.329 . 0 0 "[ . 1 . 2]" 1
2115 1 37 TYR HE2 1 41 ALA MB 5.410 . 5.410 4.964 4.582 5.281 . 0 0 "[ . 1 . 2]" 1
2116 3 37 TYR HE2 3 41 ALA MB 5.410 . 5.410 4.958 4.534 5.294 . 0 0 "[ . 1 . 2]" 1
2117 1 30 LEU MD1 1 37 TYR HE2 4.620 . 4.620 4.564 4.375 4.672 0.052 4 0 "[ . 1 . 2]" 1
2118 1 52 VAL MG1 1 56 TYR HE2 5.180 . 5.180 4.846 3.735 5.249 0.069 8 0 "[ . 1 . 2]" 1
2119 3 52 VAL MG1 3 56 TYR HE2 5.180 . 5.180 4.843 3.984 5.259 0.079 8 0 "[ . 1 . 2]" 1
2120 1 57 TYR HE2 1 61 LYS HB2 5.190 . 5.190 5.206 5.084 5.265 0.075 5 0 "[ . 1 . 2]" 1
2121 3 57 TYR HE2 3 61 LYS HB2 5.190 . 5.190 5.209 5.060 5.251 0.061 20 0 "[ . 1 . 2]" 1
2122 1 57 TYR HE2 1 61 LYS HD2 4.480 . 4.480 4.465 4.267 4.522 0.042 3 0 "[ . 1 . 2]" 1
2123 3 57 TYR HE2 3 61 LYS HD2 4.480 . 4.480 4.461 4.282 4.527 0.047 3 0 "[ . 1 . 2]" 1
2124 1 57 TYR HE2 1 61 LYS HD3 4.890 . 4.890 4.107 3.151 4.368 . 0 0 "[ . 1 . 2]" 1
2125 3 57 TYR HE2 3 61 LYS HD3 4.890 . 4.890 4.091 3.084 4.495 . 0 0 "[ . 1 . 2]" 1
2126 1 57 TYR HB3 1 57 TYR HE2 4.870 . 4.870 4.583 4.554 4.605 . 0 0 "[ . 1 . 2]" 1
2127 3 57 TYR HB3 3 57 TYR HE2 4.870 . 4.870 4.582 4.550 4.609 . 0 0 "[ . 1 . 2]" 1
2128 1 18 GLN H 1 19 VAL HA 5.500 . 5.500 5.182 5.121 5.245 . 0 0 "[ . 1 . 2]" 1
2129 3 18 GLN H 3 19 VAL HA 5.500 . 5.500 5.180 5.124 5.230 . 0 0 "[ . 1 . 2]" 1
2130 1 20 ARG H 1 20 ARG QD 4.370 . 4.370 4.115 3.674 4.435 0.065 20 0 "[ . 1 . 2]" 1
2131 3 20 ARG H 3 20 ARG QD 4.370 . 4.370 4.116 3.705 4.436 0.066 20 0 "[ . 1 . 2]" 1
2132 1 30 LEU HA 1 30 LEU MD2 3.130 . 3.130 2.756 2.652 2.874 . 0 0 "[ . 1 . 2]" 1
2133 3 30 LEU HA 3 30 LEU MD1 3.250 . 3.250 2.482 2.389 2.601 . 0 0 "[ . 1 . 2]" 1
2134 1 29 GLU QG 1 30 LEU MD2 4.420 . 4.420 3.913 3.723 4.122 . 0 0 "[ . 1 . 2]" 1
2135 3 29 GLU QG 3 30 LEU MD1 4.920 . 4.920 4.975 4.877 5.040 0.120 13 0 "[ . 1 . 2]" 1
2136 1 30 LEU MD1 1 45 TRP HB2 4.480 . 4.480 3.039 2.659 3.305 . 0 0 "[ . 1 . 2]" 1
2137 3 30 LEU MD2 3 45 TRP HB2 4.480 . 4.480 2.755 2.536 3.017 . 0 0 "[ . 1 . 2]" 1
2138 1 29 GLU QG 1 30 LEU MD1 4.920 . 4.920 4.947 4.826 5.023 0.103 13 0 "[ . 1 . 2]" 1
2139 3 29 GLU QG 3 30 LEU MD2 4.920 . 4.920 3.821 3.658 3.957 . 0 0 "[ . 1 . 2]" 1
2140 1 30 LEU MD1 1 31 GLU QB 4.510 . 4.510 4.331 4.101 4.511 0.001 8 0 "[ . 1 . 2]" 1
2141 1 42 LEU HA 1 45 TRP HB3 4.980 . 4.980 2.226 2.137 2.293 . 0 0 "[ . 1 . 2]" 1
2142 3 42 LEU HA 3 45 TRP HB3 4.980 . 4.980 2.215 2.135 2.269 . 0 0 "[ . 1 . 2]" 1
2143 1 42 LEU HB3 1 45 TRP HZ3 5.500 . 5.500 5.101 4.943 5.251 . 0 0 "[ . 1 . 2]" 1
2144 3 42 LEU HB3 3 45 TRP HZ3 5.500 . 5.500 5.109 4.949 5.278 . 0 0 "[ . 1 . 2]" 1
2145 1 23 LEU HB2 1 49 THR MG 4.920 . 4.920 4.903 4.644 4.981 0.061 7 0 "[ . 1 . 2]" 1
2146 3 23 LEU HB2 3 49 THR MG 4.920 . 4.920 4.887 4.614 4.984 0.064 7 0 "[ . 1 . 2]" 1
2147 1 45 TRP HD1 1 49 THR MG 4.660 . 4.660 2.908 2.804 3.049 . 0 0 "[ . 1 . 2]" 1
2148 3 45 TRP HD1 3 49 THR MG 4.660 . 4.660 2.938 2.827 3.115 . 0 0 "[ . 1 . 2]" 1
2149 1 57 TYR HD1 1 58 ASN HA 5.500 . 5.500 5.638 5.587 5.682 0.182 18 0 "[ . 1 . 2]" 1
2150 3 57 TYR HD1 3 58 ASN HA 5.500 . 5.500 5.633 5.599 5.668 0.168 6 0 "[ . 1 . 2]" 1
2151 1 58 ASN HB3 1 59 ILE MD 5.500 . 5.500 4.650 4.214 5.577 0.077 2 0 "[ . 1 . 2]" 1
2152 3 58 ASN HB3 3 59 ILE MD 5.500 . 5.500 4.654 4.243 5.565 0.065 7 0 "[ . 1 . 2]" 1
2153 1 2 SER HA 1 3 HIS HA 4.420 . 4.420 4.392 4.290 4.479 0.059 3 0 "[ . 1 . 2]" 1
2154 3 2 SER HA 3 3 HIS HA 4.420 . 4.420 4.392 4.278 4.490 0.070 3 0 "[ . 1 . 2]" 1
2155 1 11 TYR HA 1 12 ALA HA 5.130 . 5.130 4.924 4.858 4.989 . 0 0 "[ . 1 . 2]" 1
2156 3 11 TYR HA 3 12 ALA HA 5.130 . 5.130 4.926 4.877 4.977 . 0 0 "[ . 1 . 2]" 1
2157 1 12 ALA MB 1 16 LEU HB3 5.500 . 5.500 4.615 4.101 5.482 . 0 0 "[ . 1 . 2]" 1
2158 3 12 ALA MB 3 16 LEU HB3 5.500 . 5.500 4.597 4.056 5.438 . 0 0 "[ . 1 . 2]" 1
2159 2 11 ALA MB 3 68 LEU HB3 5.500 . 5.500 5.081 4.815 5.457 . 0 0 "[ . 1 . 2]" 1
2160 1 68 LEU HB3 4 11 ALA MB 5.500 . 5.500 5.071 4.832 5.430 . 0 0 "[ . 1 . 2]" 1
2161 1 56 TYR HA 3 20 ARG HG2 4.780 . 4.780 3.407 2.521 4.225 . 0 0 "[ . 1 . 2]" 1
2162 1 20 ARG HG2 3 56 TYR HA 4.780 . 4.780 3.395 2.508 4.125 . 0 0 "[ . 1 . 2]" 1
2163 1 20 ARG HA 1 20 ARG HG3 3.930 . 3.930 3.364 2.868 3.873 . 0 0 "[ . 1 . 2]" 1
2164 3 20 ARG HA 3 20 ARG HG3 3.930 . 3.930 3.365 2.895 3.862 . 0 0 "[ . 1 . 2]" 1
2165 1 20 ARG H 1 20 ARG HG3 4.690 . 4.690 4.583 4.500 4.693 0.003 9 0 "[ . 1 . 2]" 1
2166 3 20 ARG H 3 20 ARG HG3 4.690 . 4.690 4.588 4.502 4.693 0.003 9 0 "[ . 1 . 2]" 1
2167 1 20 ARG H 1 22 ALA MB 4.720 . 4.720 4.622 4.536 4.705 . 0 0 "[ . 1 . 2]" 1
2168 3 20 ARG H 3 22 ALA MB 4.720 . 4.720 4.623 4.536 4.694 . 0 0 "[ . 1 . 2]" 1
2169 1 26 ALA MB 1 27 GLU HA 4.400 . 4.400 3.748 3.691 3.858 . 0 0 "[ . 1 . 2]" 1
2170 3 26 ALA MB 3 27 GLU HA 4.400 . 4.400 3.762 3.709 3.882 . 0 0 "[ . 1 . 2]" 1
2171 1 26 ALA HA 1 30 LEU HB3 5.500 . 5.500 5.412 5.313 5.498 . 0 0 "[ . 1 . 2]" 1
2172 3 26 ALA HA 3 30 LEU HB3 5.500 . 5.500 5.364 5.222 5.518 0.018 5 0 "[ . 1 . 2]" 1
2173 1 28 LYS HA 1 30 LEU HB3 5.500 . 5.500 5.194 4.965 5.497 . 0 0 "[ . 1 . 2]" 1
2174 3 28 LYS HA 3 30 LEU HB3 5.500 . 5.500 5.241 5.005 5.528 0.028 16 0 "[ . 1 . 2]" 1
2175 1 38 ALA HA 1 39 PRO HG2 4.640 . 4.640 4.441 4.138 4.562 . 0 0 "[ . 1 . 2]" 1
2176 3 38 ALA HA 3 39 PRO HG2 4.640 . 4.640 4.428 4.114 4.592 . 0 0 "[ . 1 . 2]" 1
2177 1 38 ALA MB 1 39 PRO HD2 3.320 . 3.320 2.232 2.103 2.404 . 0 0 "[ . 1 . 2]" 1
2178 3 38 ALA MB 3 39 PRO HD2 3.320 . 3.320 2.245 2.032 2.401 . 0 0 "[ . 1 . 2]" 1
2179 1 38 ALA MB 1 40 GLU QG 3.580 . 3.580 2.032 1.930 2.159 . 0 0 "[ . 1 . 2]" 1
2180 3 38 ALA MB 3 40 GLU QG 3.580 . 3.580 2.059 1.906 2.292 . 0 0 "[ . 1 . 2]" 1
2181 1 47 GLN QG 1 48 LEU H 4.460 . 4.460 3.634 3.343 3.929 . 0 0 "[ . 1 . 2]" 1
2182 3 47 GLN QG 3 48 LEU H 4.460 . 4.460 3.621 3.379 3.909 . 0 0 "[ . 1 . 2]" 1
2183 1 59 ILE HB 1 60 LYS HG2 4.780 . 4.780 4.082 3.768 4.302 . 0 0 "[ . 1 . 2]" 1
2184 3 59 ILE HB 3 60 LYS HG2 4.780 . 4.780 4.084 3.794 4.331 . 0 0 "[ . 1 . 2]" 1
2185 1 70 VAL MG1 1 71 ALA HA 5.060 . 5.060 3.368 3.163 3.616 . 0 0 "[ . 1 . 2]" 1
2186 3 70 VAL MG1 3 71 ALA HA 5.060 . 5.060 3.344 3.073 3.623 . 0 0 "[ . 1 . 2]" 1
2187 1 70 VAL MG1 1 71 ALA MB 4.960 . 4.960 3.044 2.794 3.824 . 0 0 "[ . 1 . 2]" 1
2188 3 70 VAL MG1 3 71 ALA MB 4.960 . 4.960 3.009 2.710 3.648 . 0 0 "[ . 1 . 2]" 1
2189 1 34 SER HA 1 36 TRP HB2 4.730 . 4.730 4.619 4.320 4.773 0.043 6 0 "[ . 1 . 2]" 1
2190 3 34 SER HA 3 36 TRP HB2 4.730 . 4.730 4.624 4.351 4.771 0.041 6 0 "[ . 1 . 2]" 1
2191 1 52 VAL MG1 3 19 VAL MG1 3.660 . 3.660 3.438 2.869 3.711 0.051 2 0 "[ . 1 . 2]" 1
2192 1 19 VAL MG1 3 52 VAL MG1 3.660 . 3.660 3.443 2.853 3.701 0.041 2 0 "[ . 1 . 2]" 1
2193 1 54 VAL MG1 1 55 GLN QG 4.440 . 4.440 4.255 3.915 4.473 0.033 1 0 "[ . 1 . 2]" 1
2194 3 54 VAL MG1 3 55 GLN QG 4.440 . 4.440 4.245 3.949 4.448 0.008 5 0 "[ . 1 . 2]" 1
2195 1 38 ALA MB 1 40 GLU QB 3.510 . 3.510 3.484 3.258 3.557 0.047 12 0 "[ . 1 . 2]" 1
2196 3 38 ALA MB 3 40 GLU QB 3.510 . 3.510 3.494 3.274 3.555 0.045 2 0 "[ . 1 . 2]" 1
2197 1 42 LEU MD2 1 45 TRP HB3 5.230 . 5.230 4.788 4.695 4.887 . 0 0 "[ . 1 . 2]" 1
2198 3 42 LEU MD2 3 45 TRP HB3 5.230 . 5.230 4.784 4.714 4.885 . 0 0 "[ . 1 . 2]" 1
2199 1 50 HIS HA 1 52 VAL HB 5.460 . 5.460 5.511 5.357 5.599 0.139 17 0 "[ . 1 . 2]" 1
2200 3 50 HIS HA 3 52 VAL HB 5.460 . 5.460 5.518 5.387 5.614 0.154 17 0 "[ . 1 . 2]" 1
2201 1 58 ASN H 1 60 LYS HG3 5.320 . 5.320 5.356 5.196 5.423 0.103 18 0 "[ . 1 . 2]" 1
2202 3 58 ASN H 3 60 LYS HG3 5.320 . 5.320 5.359 5.200 5.435 0.115 18 0 "[ . 1 . 2]" 1
2203 1 56 TYR HD1 1 60 LYS QD 4.480 . 4.480 3.053 2.204 3.765 . 0 0 "[ . 1 . 2]" 1
2204 3 56 TYR HD1 3 60 LYS QD 4.480 . 4.480 3.079 2.214 3.847 . 0 0 "[ . 1 . 2]" 1
2205 1 75 ALA HA 1 77 LYS QB 5.230 . 5.230 5.140 4.544 5.348 0.118 3 0 "[ . 1 . 2]" 1
2206 3 75 ALA HA 3 77 LYS QB 5.230 . 5.230 5.132 4.475 5.349 0.119 13 0 "[ . 1 . 2]" 1
2207 1 75 ALA HA 1 78 ILE HB 5.500 . 5.500 3.708 3.031 5.472 . 0 0 "[ . 1 . 2]" 1
2208 3 75 ALA HA 3 78 ILE HB 5.500 . 5.500 3.707 3.077 5.501 0.001 10 0 "[ . 1 . 2]" 1
2209 1 70 VAL MG2 1 71 ALA HA 5.060 . 5.060 3.931 3.567 5.176 0.116 1 0 "[ . 1 . 2]" 1
2210 3 70 VAL MG2 3 71 ALA HA 5.060 . 5.060 3.952 3.623 5.157 0.097 1 0 "[ . 1 . 2]" 1
2211 1 78 ILE HA 1 78 ILE MD 4.330 . 4.330 3.936 3.771 4.199 . 0 0 "[ . 1 . 2]" 1
2212 3 78 ILE HA 3 78 ILE MD 4.330 . 4.330 3.934 3.761 4.176 . 0 0 "[ . 1 . 2]" 1
2213 1 2 SER HA 1 3 HIS QB 4.570 . 4.570 4.397 4.043 4.727 0.157 3 0 "[ . 1 . 2]" 1
2214 1 4 MET H 1 4 MET QG 4.600 . 4.600 3.094 2.056 4.523 . 0 0 "[ . 1 . 2]" 1
2215 1 4 MET QB 1 5 ALA HA 4.510 . 4.510 4.378 3.939 4.560 0.050 14 0 "[ . 1 . 2]" 1
2216 1 7 SER QB 1 8 ARG H 4.390 . 4.390 3.619 3.029 3.819 . 0 0 "[ . 1 . 2]" 1
2217 1 7 SER QB 1 9 GLN H 4.340 . 4.340 3.789 2.535 4.385 0.045 6 0 "[ . 1 . 2]" 1
2218 1 7 SER QB 1 10 LYS H 4.540 . 4.540 3.462 2.861 4.250 . 0 0 "[ . 1 . 2]" 1
2219 1 8 ARG H 1 8 ARG QB 3.480 . 3.480 2.481 2.300 2.860 . 0 0 "[ . 1 . 2]" 1
2220 1 8 ARG H 1 8 ARG QG 3.860 . 3.860 3.099 2.157 3.885 0.025 18 0 "[ . 1 . 2]" 1
2221 1 8 ARG QB 1 9 GLN H 4.370 . 4.370 3.013 2.264 3.817 . 0 0 "[ . 1 . 2]" 1
2222 1 8 ARG QB 1 10 LYS H 5.260 . 5.260 4.452 4.235 4.953 . 0 0 "[ . 1 . 2]" 1
2223 1 9 GLN QG 1 10 LYS QG 5.340 . 5.340 5.175 4.848 5.468 0.128 15 0 "[ . 1 . 2]" 1
2224 1 10 LYS H 1 10 LYS QG 3.850 . 3.850 2.182 1.927 2.603 . 0 0 "[ . 1 . 2]" 1
2225 1 10 LYS HA 1 10 LYS QG 3.560 . 3.560 3.390 3.292 3.548 . 0 0 "[ . 1 . 2]" 1
2226 1 10 LYS QG 1 11 TYR H 4.360 . 4.360 3.121 2.541 3.567 . 0 0 "[ . 1 . 2]" 1
2227 1 10 LYS QG 1 11 TYR HB3 4.890 . 4.890 4.292 3.495 4.916 0.026 17 0 "[ . 1 . 2]" 1
2228 1 11 TYR HA 1 14 GLU QB 4.230 . 4.230 3.066 2.623 3.504 . 0 0 "[ . 1 . 2]" 1
2229 1 11 TYR HB2 1 14 GLU QB 4.020 . 4.020 3.676 3.455 3.853 . 0 0 "[ . 1 . 2]" 1
2230 1 11 TYR HB3 1 14 GLU QB 4.740 . 4.740 4.632 4.339 4.785 0.045 7 0 "[ . 1 . 2]" 1
2231 1 12 ALA H 1 14 GLU QB 5.340 . 5.340 5.149 4.816 5.356 0.016 7 0 "[ . 1 . 2]" 1
2232 1 12 ALA H 1 15 GLU QB 5.340 . 5.340 4.910 4.413 5.298 . 0 0 "[ . 1 . 2]" 1
2233 1 12 ALA HA 1 15 GLU QB 3.780 . 3.780 2.780 2.322 3.311 . 0 0 "[ . 1 . 2]" 1
2234 1 12 ALA HA 1 16 LEU QD 4.660 . 4.660 3.900 3.527 4.331 . 0 0 "[ . 1 . 2]" 1
2235 1 14 GLU H 1 14 GLU QB 2.830 . 2.830 2.344 2.167 2.498 . 0 0 "[ . 1 . 2]" 1
2236 1 14 GLU H 1 16 LEU QD 4.570 . 4.570 4.309 4.143 4.396 . 0 0 "[ . 1 . 2]" 1
2237 1 15 GLU H 1 15 GLU QB 3.070 . 3.070 2.431 1.990 2.583 . 0 0 "[ . 1 . 2]" 1
2238 1 15 GLU H 1 16 LEU QD 4.420 . 4.420 4.426 4.189 4.491 0.071 8 0 "[ . 1 . 2]" 1
2239 1 16 LEU QD 1 18 GLN H 5.280 . 5.280 4.209 4.090 4.375 . 0 0 "[ . 1 . 2]" 1
2240 1 16 LEU QD 3 45 TRP HE1 5.060 . 5.060 4.669 4.352 5.051 . 0 0 "[ . 1 . 2]" 1
2241 1 16 LEU QD 3 52 VAL H 4.000 . 4.000 3.509 3.304 3.628 . 0 0 "[ . 1 . 2]" 1
2242 1 17 GLU H 1 17 GLU QB 2.640 . 2.640 2.251 2.007 2.346 . 0 0 "[ . 1 . 2]" 1
2243 1 17 GLU QB 1 18 GLN H 3.200 . 3.200 2.557 2.348 2.779 . 0 0 "[ . 1 . 2]" 1
2244 1 18 GLN H 1 18 GLN QG 3.540 . 3.540 2.461 2.272 2.686 . 0 0 "[ . 1 . 2]" 1
2245 1 18 GLN HA 1 18 GLN QG 3.140 . 3.140 2.709 2.327 3.039 . 0 0 "[ . 1 . 2]" 1
2246 1 19 VAL H 1 20 ARG QB 4.630 . 4.630 4.218 4.065 4.477 . 0 0 "[ . 1 . 2]" 1
2247 1 19 VAL MG1 1 24 ARG QD 5.340 . 5.340 4.619 4.103 5.181 . 0 0 "[ . 1 . 2]" 1
2248 1 20 ARG H 1 20 ARG QG 4.110 . 4.110 3.996 3.885 4.098 . 0 0 "[ . 1 . 2]" 1
2249 1 20 ARG H 3 56 TYR QB 5.340 . 5.340 4.922 4.597 5.339 . 0 0 "[ . 1 . 2]" 1
2250 1 20 ARG QB 1 22 ALA H 5.000 . 5.000 4.530 4.113 4.878 . 0 0 "[ . 1 . 2]" 1
2251 1 20 ARG QB 3 56 TYR H 5.340 . 5.340 4.126 3.699 4.512 . 0 0 "[ . 1 . 2]" 1
2252 1 20 ARG QG 1 21 GLU H 4.000 . 4.000 3.404 2.876 3.985 . 0 0 "[ . 1 . 2]" 1
2253 1 20 ARG QG 3 56 TYR QB 3.990 . 3.990 2.627 2.014 3.086 . 0 0 "[ . 1 . 2]" 1
2254 1 20 ARG QG 3 59 ILE MG 4.390 . 4.390 4.377 4.178 4.499 0.109 3 0 "[ . 1 . 2]" 1
2255 1 20 ARG QG 3 59 ILE MD 3.100 . 3.100 2.460 2.224 2.615 . 0 0 "[ . 1 . 2]" 1
2256 1 24 ARG H 1 24 ARG QG 4.140 . 4.140 3.632 3.566 3.707 . 0 0 "[ . 1 . 2]" 1
2257 1 24 ARG HB2 1 24 ARG QD 3.500 . 3.500 2.517 2.448 2.648 . 0 0 "[ . 1 . 2]" 1
2258 1 24 ARG HB3 1 24 ARG QD 3.700 . 3.700 3.400 3.283 3.515 . 0 0 "[ . 1 . 2]" 1
2259 1 24 ARG QG 1 25 LYS H 5.340 . 5.340 4.723 4.491 4.855 . 0 0 "[ . 1 . 2]" 1
2260 1 24 ARG QG 3 56 TYR HA 5.090 . 5.090 2.854 2.345 3.456 . 0 0 "[ . 1 . 2]" 1
2261 1 24 ARG QG 3 56 TYR QB 4.790 . 4.790 3.116 2.299 3.891 . 0 0 "[ . 1 . 2]" 1
2262 1 24 ARG QG 3 56 TYR HD1 5.330 . 5.330 4.066 2.959 5.000 . 0 0 "[ . 1 . 2]" 1
2263 1 24 ARG QG 3 59 ILE HB 3.760 . 3.760 2.628 2.189 2.943 . 0 0 "[ . 1 . 2]" 1
2264 1 24 ARG QG 3 59 ILE MG 3.110 . 3.110 2.319 1.791 2.940 . 0 0 "[ . 1 . 2]" 1
2265 1 24 ARG QG 3 59 ILE MD 3.480 . 3.480 2.872 2.018 3.382 . 0 0 "[ . 1 . 2]" 1
2266 1 24 ARG QG 3 60 LYS H 5.340 . 5.340 3.601 3.208 4.193 . 0 0 "[ . 1 . 2]" 1
2267 1 24 ARG QD 3 56 TYR HA 3.680 . 3.680 3.051 1.879 3.739 0.059 9 0 "[ . 1 . 2]" 1
2268 1 25 LYS H 1 25 LYS QB 3.170 . 3.170 2.168 2.054 2.431 . 0 0 "[ . 1 . 2]" 1
2269 1 25 LYS H 1 25 LYS QG 3.700 . 3.700 3.662 2.554 3.863 0.163 6 0 "[ . 1 . 2]" 1
2270 1 25 LYS QB 1 26 ALA H 3.310 . 3.310 2.346 2.193 2.878 . 0 0 "[ . 1 . 2]" 1
2271 1 31 GLU H 1 31 GLU QG 3.380 . 3.380 2.247 1.953 2.537 . 0 0 "[ . 1 . 2]" 1
2272 1 31 GLU H 1 32 SER QB 5.340 . 5.340 4.866 4.647 5.358 0.018 12 0 "[ . 1 . 2]" 1
2273 1 31 GLU HA 1 31 GLU QG 3.460 . 3.460 3.317 3.273 3.366 . 0 0 "[ . 1 . 2]" 1
2274 1 31 GLU QG 1 32 SER H 3.980 . 3.980 2.302 2.107 2.676 . 0 0 "[ . 1 . 2]" 1
2275 1 31 GLU QG 2 15 ASP HB2 5.330 . 5.330 5.361 5.233 5.457 0.127 17 0 "[ . 1 . 2]" 1
2276 1 32 SER H 1 32 SER QB 3.230 . 3.230 2.372 2.236 2.801 . 0 0 "[ . 1 . 2]" 1
2277 1 32 SER H 1 33 HIS QB 4.830 . 4.830 4.379 4.066 4.607 . 0 0 "[ . 1 . 2]" 1
2278 1 32 SER QB 1 33 HIS H 3.970 . 3.970 2.623 2.277 3.412 . 0 0 "[ . 1 . 2]" 1
2279 1 33 HIS H 1 33 HIS QB 3.260 . 3.260 2.292 2.031 2.407 . 0 0 "[ . 1 . 2]" 1
2280 1 33 HIS QB 1 34 SER H 4.480 . 4.480 3.044 2.844 3.259 . 0 0 "[ . 1 . 2]" 1
2281 1 33 HIS QB 1 37 TYR HE2 4.110 . 4.110 2.256 1.973 3.059 . 0 0 "[ . 1 . 2]" 1
2282 1 34 SER H 1 34 SER QB 3.170 . 3.170 2.511 2.267 2.611 . 0 0 "[ . 1 . 2]" 1
2283 1 35 SER H 1 35 SER QB 3.180 . 3.180 2.413 2.203 2.703 . 0 0 "[ . 1 . 2]" 1
2284 1 35 SER HA 2 19 HIS QB 5.130 . 5.130 3.460 2.656 4.350 . 0 0 "[ . 1 . 2]" 1
2285 1 35 SER QB 1 36 TRP H 3.830 . 3.830 3.255 2.939 3.779 . 0 0 "[ . 1 . 2]" 1
2286 1 35 SER QB 1 36 TRP HE1 4.700 . 4.700 3.948 3.256 4.733 0.033 18 0 "[ . 1 . 2]" 1
2287 1 38 ALA HA 1 39 PRO QB 4.980 . 4.980 4.565 4.476 4.747 . 0 0 "[ . 1 . 2]" 1
2288 1 38 ALA MB 1 39 PRO QB 4.920 . 4.920 4.620 4.379 4.720 . 0 0 "[ . 1 . 2]" 1
2289 1 39 PRO QB 1 42 LEU H 5.340 . 5.340 4.524 4.051 5.000 . 0 0 "[ . 1 . 2]" 1
2290 1 39 PRO QB 2 20 ARG QD 3.860 . 3.860 3.506 2.468 3.909 0.049 19 0 "[ . 1 . 2]" 1
2291 1 39 PRO QB 2 23 HIS HA 5.340 . 5.340 5.046 4.179 5.427 0.087 17 0 "[ . 1 . 2]" 1
2292 1 39 PRO QG 2 20 ARG HG2 4.020 . 4.020 2.598 2.063 3.748 . 0 0 "[ . 1 . 2]" 1
2293 1 42 LEU HB3 1 43 GLN QG 5.340 . 5.340 4.673 3.472 5.468 0.128 2 0 "[ . 1 . 2]" 1
2294 1 43 GLN H 1 43 GLN QG 3.880 . 3.880 3.184 2.168 3.886 0.006 14 0 "[ . 1 . 2]" 1
2295 1 45 TRP HA 1 48 LEU QB 3.690 . 3.690 2.761 2.553 3.167 . 0 0 "[ . 1 . 2]" 1
2296 1 45 TRP HA 1 48 LEU QD 4.290 . 4.290 3.660 2.932 4.026 . 0 0 "[ . 1 . 2]" 1
2297 1 45 TRP HE3 1 46 LEU QB 4.840 . 4.840 2.725 2.623 2.903 . 0 0 "[ . 1 . 2]" 1
2298 1 45 TRP HE1 3 16 LEU QD 5.060 . 5.060 4.666 4.364 5.041 . 0 0 "[ . 1 . 2]" 1
2299 1 46 LEU QB 1 47 GLN H 3.650 . 3.650 2.673 2.547 2.826 . 0 0 "[ . 1 . 2]" 1
2300 1 46 LEU MD1 1 50 HIS QB 4.540 . 4.540 2.264 2.113 2.507 . 0 0 "[ . 1 . 2]" 1
2301 1 47 GLN H 1 48 LEU QD 4.300 . 4.300 4.204 4.025 4.429 0.129 1 0 "[ . 1 . 2]" 1
2302 1 47 GLN HA 1 50 HIS QB 3.790 . 3.790 3.131 2.503 3.563 . 0 0 "[ . 1 . 2]" 1
2303 1 47 GLN HB2 1 48 LEU QD 4.540 . 4.540 4.231 3.905 4.545 0.005 1 0 "[ . 1 . 2]" 1
2304 1 48 LEU H 1 48 LEU QB 2.960 . 2.960 2.224 2.106 2.557 . 0 0 "[ . 1 . 2]" 1
2305 1 48 LEU H 1 48 LEU QD 4.170 . 4.170 2.559 2.453 2.901 . 0 0 "[ . 1 . 2]" 1
2306 1 48 LEU QB 1 48 LEU QD 2.710 . 2.710 2.020 1.944 2.066 . 0 0 "[ . 1 . 2]" 1
2307 1 48 LEU QB 1 49 THR H 3.560 . 3.560 2.642 2.465 2.853 . 0 0 "[ . 1 . 2]" 1
2308 1 48 LEU QB 1 49 THR MG 4.270 . 4.270 3.478 3.310 3.786 . 0 0 "[ . 1 . 2]" 1
2309 1 48 LEU QD 1 49 THR H 4.250 . 4.250 4.008 3.937 4.095 . 0 0 "[ . 1 . 2]" 1
2310 1 49 THR H 1 50 HIS QB 5.200 . 5.200 4.464 4.267 4.597 . 0 0 "[ . 1 . 2]" 1
2311 1 49 THR HB 1 50 HIS QB 5.320 . 5.320 4.492 4.313 4.664 . 0 0 "[ . 1 . 2]" 1
2312 1 50 HIS H 1 50 HIS QB 3.450 . 3.450 2.242 2.155 2.293 . 0 0 "[ . 1 . 2]" 1
2313 1 50 HIS HA 1 53 GLU QG 4.610 . 4.610 4.019 3.608 4.561 . 0 0 "[ . 1 . 2]" 1
2314 1 51 GLU QG 1 52 VAL H 3.820 . 3.820 3.459 3.284 3.644 . 0 0 "[ . 1 . 2]" 1
2315 1 51 GLU QG 1 52 VAL HA 4.270 . 4.270 3.410 3.191 3.645 . 0 0 "[ . 1 . 2]" 1
2316 1 51 GLU QG 1 52 VAL MG2 4.040 . 4.040 3.184 2.877 3.468 . 0 0 "[ . 1 . 2]" 1
2317 1 52 VAL H 3 16 LEU QD 4.000 . 4.000 3.505 3.287 3.657 . 0 0 "[ . 1 . 2]" 1
2318 1 52 VAL MG1 1 56 TYR QB 4.160 . 4.160 3.215 2.977 3.583 . 0 0 "[ . 1 . 2]" 1
2319 1 53 GLU H 1 53 GLU QG 4.260 . 4.260 3.904 3.755 3.987 . 0 0 "[ . 1 . 2]" 1
2320 1 53 GLU QG 1 54 VAL HA 4.620 . 4.620 4.198 3.633 4.635 0.015 8 0 "[ . 1 . 2]" 1
2321 1 53 GLU QG 1 57 TYR H 5.270 . 5.270 4.926 4.645 5.138 . 0 0 "[ . 1 . 2]" 1
2322 1 54 VAL MG1 1 58 ASN QB 5.210 . 5.210 3.085 2.832 3.581 . 0 0 "[ . 1 . 2]" 1
2323 1 56 TYR H 1 56 TYR QB 3.680 . 3.680 2.344 2.164 2.571 . 0 0 "[ . 1 . 2]" 1
2324 1 56 TYR H 3 20 ARG QB 5.340 . 5.340 4.127 3.749 4.522 . 0 0 "[ . 1 . 2]" 1
2325 1 56 TYR HA 3 24 ARG QG 5.090 . 5.090 2.831 2.390 3.435 . 0 0 "[ . 1 . 2]" 1
2326 1 56 TYR HA 3 24 ARG QD 3.680 . 3.680 3.014 1.875 3.727 0.047 10 0 "[ . 1 . 2]" 1
2327 1 56 TYR QB 1 57 TYR H 4.100 . 4.100 3.411 3.321 3.520 . 0 0 "[ . 1 . 2]" 1
2328 1 56 TYR QB 1 59 ILE HB 4.600 . 4.600 4.104 3.974 4.218 . 0 0 "[ . 1 . 2]" 1
2329 1 56 TYR QB 1 59 ILE MD 3.660 . 3.660 3.566 3.464 3.684 0.024 11 0 "[ . 1 . 2]" 1
2330 1 56 TYR QB 1 60 LYS H 5.320 . 5.320 4.793 4.590 5.018 . 0 0 "[ . 1 . 2]" 1
2331 1 56 TYR QB 3 20 ARG H 5.340 . 5.340 4.933 4.569 5.315 . 0 0 "[ . 1 . 2]" 1
2332 1 56 TYR QB 3 20 ARG QG 3.990 . 3.990 2.640 2.122 3.139 . 0 0 "[ . 1 . 2]" 1
2333 1 56 TYR QB 3 24 ARG QG 4.790 . 4.790 3.103 2.382 3.912 . 0 0 "[ . 1 . 2]" 1
2334 1 56 TYR HD1 3 24 ARG QG 5.330 . 5.330 4.083 2.942 5.102 . 0 0 "[ . 1 . 2]" 1
2335 1 57 TYR H 1 58 ASN QB 5.340 . 5.340 4.480 4.341 4.716 . 0 0 "[ . 1 . 2]" 1
2336 1 58 ASN H 1 58 ASN QB 3.040 . 3.040 2.214 2.151 2.280 . 0 0 "[ . 1 . 2]" 1
2337 1 58 ASN QB 1 59 ILE HG13 4.860 . 4.860 3.142 2.891 3.585 . 0 0 "[ . 1 . 2]" 1
2338 1 58 ASN QB 1 59 ILE MD 4.770 . 4.770 4.294 4.095 4.630 . 0 0 "[ . 1 . 2]" 1
2339 1 59 ILE HB 3 24 ARG QG 3.760 . 3.760 2.625 2.165 2.822 . 0 0 "[ . 1 . 2]" 1
2340 1 59 ILE MG 3 20 ARG QG 4.390 . 4.390 4.388 4.228 4.536 0.146 3 0 "[ . 1 . 2]" 1
2341 1 59 ILE MG 3 24 ARG QG 3.110 . 3.110 2.305 1.778 2.851 . 0 0 "[ . 1 . 2]" 1
2342 1 59 ILE MD 3 20 ARG QG 3.100 . 3.100 2.469 2.267 2.636 . 0 0 "[ . 1 . 2]" 1
2343 1 59 ILE MD 3 24 ARG QG 3.480 . 3.480 2.819 2.003 3.314 . 0 0 "[ . 1 . 2]" 1
2344 1 60 LYS H 1 60 LYS QE 4.620 . 4.620 4.266 4.062 4.625 0.005 1 0 "[ . 1 . 2]" 1
2345 1 60 LYS H 3 24 ARG QG 5.340 . 5.340 3.614 3.195 4.233 . 0 0 "[ . 1 . 2]" 1
2346 1 61 LYS HG3 1 65 GLU QG 4.660 . 4.660 4.020 3.171 4.481 . 0 0 "[ . 1 . 2]" 1
2347 1 63 ASN HA 1 66 LYS QG 5.340 . 5.340 4.117 1.942 4.823 . 0 0 "[ . 1 . 2]" 1
2348 1 63 ASN HA 1 66 LYS QD 5.180 . 5.180 3.199 2.025 4.201 . 0 0 "[ . 1 . 2]" 1
2349 1 63 ASN HB3 1 67 GLN QG 4.850 . 4.850 4.005 3.124 4.630 . 0 0 "[ . 1 . 2]" 1
2350 1 64 ALA H 1 65 GLU QG 5.040 . 5.040 4.545 4.282 4.939 . 0 0 "[ . 1 . 2]" 1
2351 1 64 ALA MB 1 68 LEU QD 3.550 . 3.550 3.264 3.046 3.597 0.047 11 0 "[ . 1 . 2]" 1
2352 1 65 GLU H 1 65 GLU QG 3.450 . 3.450 2.251 2.043 2.457 . 0 0 "[ . 1 . 2]" 1
2353 1 65 GLU H 1 68 LEU QD 4.500 . 4.500 4.073 3.850 4.262 . 0 0 "[ . 1 . 2]" 1
2354 1 65 GLU QG 4 7 LEU QD 3.710 . 3.710 3.176 2.117 3.872 0.162 19 0 "[ . 1 . 2]" 1
2355 1 66 LYS QG 1 67 GLN H 3.980 . 3.980 3.543 2.420 3.995 0.015 7 0 "[ . 1 . 2]" 1
2356 1 66 LYS QD 1 67 GLN H 4.380 . 4.380 4.197 3.056 4.426 0.046 6 0 "[ . 1 . 2]" 1
2357 1 67 GLN H 1 67 GLN QG 3.260 . 3.260 2.465 2.047 3.429 0.169 20 0 "[ . 1 . 2]" 1
2358 1 67 GLN HA 1 70 VAL QG 3.370 . 3.370 1.978 1.696 3.183 . 0 0 "[ . 1 . 2]" 1
2359 1 67 GLN QG 1 70 VAL QG 4.130 . 4.130 3.945 3.498 4.328 0.198 2 0 "[ . 1 . 2]" 1
2360 1 68 LEU H 1 68 LEU QD 4.240 . 4.240 3.198 3.128 3.285 . 0 0 "[ . 1 . 2]" 1
2361 1 68 LEU QD 4 11 ALA HA 3.260 . 3.260 2.056 1.786 2.342 . 0 0 "[ . 1 . 2]" 1
2362 1 69 LEU H 1 69 LEU QD 4.260 . 4.260 3.712 3.635 3.766 . 0 0 "[ . 1 . 2]" 1
2363 1 69 LEU H 1 70 VAL QG 4.220 . 4.220 4.017 3.908 4.241 0.021 9 0 "[ . 1 . 2]" 1
2364 1 69 LEU HB3 1 70 VAL QG 4.310 . 4.310 3.893 3.172 4.188 . 0 0 "[ . 1 . 2]" 1
2365 1 69 LEU HG 1 70 VAL QG 5.390 . 5.390 4.479 3.753 5.434 0.044 7 0 "[ . 1 . 2]" 1
2366 1 70 VAL H 1 70 VAL QG 2.950 . 2.950 2.135 2.045 2.345 . 0 0 "[ . 1 . 2]" 1
2367 1 70 VAL HA 1 73 GLU QG 4.460 . 4.460 2.790 1.933 3.473 . 0 0 "[ . 1 . 2]" 1
2368 1 70 VAL QG 1 71 ALA H 3.330 . 3.330 2.333 2.150 3.099 . 0 0 "[ . 1 . 2]" 1
2369 1 70 VAL QG 1 71 ALA HA 4.170 . 4.170 3.157 3.077 3.252 . 0 0 "[ . 1 . 2]" 1
2370 1 70 VAL QG 1 71 ALA MB 3.960 . 3.960 2.986 2.756 3.666 . 0 0 "[ . 1 . 2]" 1
2371 1 70 VAL QG 1 72 LYS H 5.210 . 5.210 4.224 4.092 4.560 . 0 0 "[ . 1 . 2]" 1
2372 1 70 VAL QG 1 73 GLU H 5.090 . 5.090 4.513 4.261 4.624 . 0 0 "[ . 1 . 2]" 1
2373 1 70 VAL QG 1 74 GLY H 4.460 . 4.460 3.824 3.567 3.976 . 0 0 "[ . 1 . 2]" 1
2374 1 72 LYS H 1 72 LYS QD 4.610 . 4.610 4.498 3.794 4.671 0.061 3 0 "[ . 1 . 2]" 1
2375 1 72 LYS QB 4 14 GLN QE 5.070 . 5.070 4.154 3.064 5.076 0.006 14 0 "[ . 1 . 2]" 1
2376 1 72 LYS QG 4 14 GLN QE 5.180 . 5.180 4.126 2.726 5.214 0.034 16 0 "[ . 1 . 2]" 1
2377 1 73 GLU H 1 73 GLU QG 3.320 . 3.320 2.260 2.048 2.643 . 0 0 "[ . 1 . 2]" 1
2378 1 73 GLU QG 1 74 GLY H 4.110 . 4.110 3.362 2.071 4.125 0.015 20 0 "[ . 1 . 2]" 1
2379 1 75 ALA H 1 76 GLU QG 5.130 . 5.130 4.053 3.793 4.258 . 0 0 "[ . 1 . 2]" 1
2380 1 75 ALA HA 1 78 ILE QG 4.170 . 4.170 3.831 2.778 4.237 0.067 20 0 "[ . 1 . 2]" 1
2381 1 76 GLU H 1 76 GLU QG 3.250 . 3.250 2.143 2.026 2.380 . 0 0 "[ . 1 . 2]" 1
2382 1 76 GLU H 1 78 ILE QG 4.900 . 4.900 5.003 4.737 5.046 0.146 18 0 "[ . 1 . 2]" 1
2383 1 76 GLU QG 1 77 LYS H 3.620 . 3.620 2.499 2.153 2.797 . 0 0 "[ . 1 . 2]" 1
2384 1 76 GLU QG 1 78 ILE H 5.340 . 5.340 4.755 4.497 5.093 . 0 0 "[ . 1 . 2]" 1
2385 1 77 LYS QB 1 78 ILE QG 4.300 . 4.300 2.764 2.122 3.674 . 0 0 "[ . 1 . 2]" 1
2386 1 78 ILE H 1 78 ILE QG 2.800 . 2.800 1.847 1.671 1.951 . 0 0 "[ . 1 . 2]" 1
2387 1 78 ILE QG 1 79 LYS H 3.600 . 3.600 3.243 1.726 3.417 . 0 0 "[ . 1 . 2]" 1
2388 1 79 LYS H 1 79 LYS QB 3.460 . 3.460 3.143 2.619 3.432 . 0 0 "[ . 1 . 2]" 1
2389 1 79 LYS QB 1 80 LYS H 3.830 . 3.830 3.115 1.896 3.879 0.049 2 0 "[ . 1 . 2]" 1
2390 1 79 LYS QG 1 80 LYS H 3.930 . 3.930 3.473 2.453 4.035 0.105 15 0 "[ . 1 . 2]" 1
2391 1 80 LYS QB 1 81 LYS H 3.300 . 3.300 2.518 1.756 3.359 0.059 2 0 "[ . 1 . 2]" 1
2392 1 80 LYS QB 4 17 LEU HB3 4.070 . 4.070 3.865 3.431 4.139 0.069 10 0 "[ . 1 . 2]" 1
2393 1 80 LYS QB 4 17 LEU QD 4.110 . 4.110 2.643 2.043 3.950 . 0 0 "[ . 1 . 2]" 1
2394 1 81 LYS H 1 81 LYS QB 3.090 . 3.090 2.892 2.508 3.147 0.057 10 0 "[ . 1 . 2]" 1
2395 1 82 ARG H 1 82 ARG QB 3.330 . 3.330 2.656 2.355 3.188 . 0 0 "[ . 1 . 2]" 1
2396 2 1 GLY QA 2 5 ASN QB 4.400 . 4.400 2.668 2.412 3.325 . 0 0 "[ . 1 . 2]" 1
2397 2 2 SER HA 2 5 ASN QB 4.330 . 4.330 4.198 4.050 4.337 0.007 8 0 "[ . 1 . 2]" 1
2398 2 2 SER HB2 2 5 ASN QB 4.200 . 4.200 3.427 2.669 4.220 0.020 19 0 "[ . 1 . 2]" 1
2399 2 2 SER HB3 2 5 ASN QB 5.300 . 5.300 4.690 4.144 5.298 . 0 0 "[ . 1 . 2]" 1
2400 2 3 GLU HA 2 5 ASN QB 5.340 . 5.340 4.848 4.626 4.996 . 0 0 "[ . 1 . 2]" 1
2401 2 3 GLU QG 2 4 LEU H 4.590 . 4.590 4.106 3.650 4.367 . 0 0 "[ . 1 . 2]" 1
2402 2 3 GLU QG 2 7 LEU HG 4.030 . 4.030 3.315 2.134 4.060 0.030 10 0 "[ . 1 . 2]" 1
2403 2 4 LEU H 2 5 ASN QB 4.510 . 4.510 4.249 4.091 4.345 . 0 0 "[ . 1 . 2]" 1
2404 2 4 LEU HG 2 5 ASN QB 4.620 . 4.620 3.039 2.798 3.287 . 0 0 "[ . 1 . 2]" 1
2405 2 4 LEU MD1 2 5 ASN QB 5.340 . 5.340 3.545 2.683 3.740 . 0 0 "[ . 1 . 2]" 1
2406 2 4 LEU MD2 2 5 ASN QB 5.340 . 5.340 4.239 3.938 4.538 . 0 0 "[ . 1 . 2]" 1
2407 2 5 ASN H 2 5 ASN QB 2.870 . 2.870 2.045 1.977 2.098 . 0 0 "[ . 1 . 2]" 1
2408 2 5 ASN HA 2 5 ASN QD 3.690 . 3.690 2.017 1.802 2.557 . 0 0 "[ . 1 . 2]" 1
2409 2 5 ASN QB 2 5 ASN QD 3.090 . 3.090 2.732 2.667 2.778 . 0 0 "[ . 1 . 2]" 1
2410 2 5 ASN QB 2 6 GLU H 3.190 . 3.190 2.013 1.909 2.116 . 0 0 "[ . 1 . 2]" 1
2411 2 5 ASN QB 2 6 GLU HA 4.750 . 4.750 3.715 3.581 3.834 . 0 0 "[ . 1 . 2]" 1
2412 2 5 ASN QB 2 6 GLU HB3 5.140 . 5.140 3.709 3.574 3.920 . 0 0 "[ . 1 . 2]" 1
2413 2 5 ASN QB 2 6 GLU HG2 5.290 . 5.290 3.320 3.118 3.570 . 0 0 "[ . 1 . 2]" 1
2414 2 5 ASN QB 2 6 GLU HG3 4.740 . 4.740 4.230 4.131 4.404 . 0 0 "[ . 1 . 2]" 1
2415 2 5 ASN QB 2 8 ALA MB 4.920 . 4.920 4.302 4.205 4.384 . 0 0 "[ . 1 . 2]" 1
2416 2 5 ASN QB 2 9 GLU H 5.340 . 5.340 5.245 5.165 5.308 . 0 0 "[ . 1 . 2]" 1
2417 2 5 ASN QD 2 6 GLU H 5.340 . 5.340 4.217 3.637 4.471 . 0 0 "[ . 1 . 2]" 1
2418 2 5 ASN QD 2 8 ALA MB 4.520 . 4.520 3.289 2.985 3.479 . 0 0 "[ . 1 . 2]" 1
2419 2 6 GLU H 2 7 LEU QD 5.440 . 5.440 4.911 4.722 5.005 . 0 0 "[ . 1 . 2]" 1
2420 2 7 LEU H 2 7 LEU QD 3.560 . 3.560 3.188 3.046 3.287 . 0 0 "[ . 1 . 2]" 1
2421 2 7 LEU HA 2 7 LEU QD 2.980 . 2.980 1.952 1.888 1.989 . 0 0 "[ . 1 . 2]" 1
2422 2 7 LEU HB2 2 7 LEU QD 2.690 . 2.690 2.363 2.302 2.462 . 0 0 "[ . 1 . 2]" 1
2423 2 7 LEU HB3 2 7 LEU QD 2.950 . 2.950 2.117 2.093 2.133 . 0 0 "[ . 1 . 2]" 1
2424 2 7 LEU QD 2 8 ALA H 4.900 . 4.900 4.314 4.271 4.365 . 0 0 "[ . 1 . 2]" 1
2425 2 7 LEU QD 2 10 PHE QB 3.660 . 3.660 2.613 2.388 2.902 . 0 0 "[ . 1 . 2]" 1
2426 2 7 LEU QD 2 11 ALA H 4.430 . 4.430 4.092 3.986 4.205 . 0 0 "[ . 1 . 2]" 1
2427 2 7 LEU QD 2 11 ALA HA 5.440 . 5.440 5.038 4.850 5.189 . 0 0 "[ . 1 . 2]" 1
2428 2 7 LEU QD 2 11 ALA MB 3.660 . 3.660 3.660 3.578 3.709 0.049 15 0 "[ . 1 . 2]" 1
2429 2 7 LEU QD 3 65 GLU QG 3.710 . 3.710 3.164 2.154 3.828 0.118 7 0 "[ . 1 . 2]" 1
2430 2 9 GLU H 2 13 LEU QD 5.440 . 5.440 5.354 5.025 5.492 0.052 18 0 "[ . 1 . 2]" 1
2431 2 9 GLU HA 2 13 LEU QD 3.940 . 3.940 3.665 3.066 3.998 0.058 2 0 "[ . 1 . 2]" 1
2432 2 9 GLU HG2 2 13 LEU QD 3.760 . 3.760 2.415 2.222 2.603 . 0 0 "[ . 1 . 2]" 1
2433 2 10 PHE H 2 13 LEU QD 4.930 . 4.930 4.392 4.219 4.678 . 0 0 "[ . 1 . 2]" 1
2434 2 11 ALA HA 3 68 LEU QD 3.260 . 3.260 2.083 1.786 2.455 . 0 0 "[ . 1 . 2]" 1
2435 2 12 ARG H 2 13 LEU QD 5.350 . 5.350 4.572 4.111 4.859 . 0 0 "[ . 1 . 2]" 1
2436 2 12 ARG HG3 2 13 LEU QD 3.350 . 3.350 2.614 1.959 3.198 . 0 0 "[ . 1 . 2]" 1
2437 2 12 ARG HD2 2 13 LEU QD 5.440 . 5.440 4.527 3.866 5.167 . 0 0 "[ . 1 . 2]" 1
2438 2 12 ARG HD3 2 13 LEU QD 5.440 . 5.440 4.240 2.858 4.970 . 0 0 "[ . 1 . 2]" 1
2439 2 13 LEU H 2 13 LEU QD 3.460 . 3.460 2.862 2.413 3.171 . 0 0 "[ . 1 . 2]" 1
2440 2 13 LEU QD 2 14 GLN H 4.970 . 4.970 4.003 3.949 4.046 . 0 0 "[ . 1 . 2]" 1
2441 2 13 LEU QD 2 16 GLN HG2 4.460 . 4.460 3.592 2.912 3.890 . 0 0 "[ . 1 . 2]" 1
2442 2 13 LEU QD 2 16 GLN HE21 5.440 . 5.440 4.653 3.533 5.475 0.035 3 0 "[ . 1 . 2]" 1
2443 2 13 LEU QD 2 16 GLN HE22 5.030 . 5.030 4.402 3.469 5.053 0.023 16 0 "[ . 1 . 2]" 1
2444 2 14 GLN H 2 14 GLN QE 5.340 . 5.340 3.976 3.437 4.517 . 0 0 "[ . 1 . 2]" 1
2445 2 14 GLN H 2 17 LEU QD 5.350 . 5.350 4.146 3.905 4.384 . 0 0 "[ . 1 . 2]" 1
2446 2 14 GLN HA 2 14 GLN QE 4.720 . 4.720 2.239 1.992 2.527 . 0 0 "[ . 1 . 2]" 1
2447 2 14 GLN HA 2 17 LEU QD 3.730 . 3.730 2.731 2.548 2.917 . 0 0 "[ . 1 . 2]" 1
2448 2 14 GLN HB2 2 17 LEU QD 5.270 . 5.270 4.858 4.641 5.029 . 0 0 "[ . 1 . 2]" 1
2449 2 14 GLN HG2 2 17 LEU QD 3.920 . 3.920 3.790 3.411 3.963 0.043 2 0 "[ . 1 . 2]" 1
2450 2 14 GLN QE 2 17 LEU HB2 4.830 . 4.830 3.223 2.914 3.590 . 0 0 "[ . 1 . 2]" 1
2451 2 14 GLN QE 2 17 LEU HB3 5.340 . 5.340 3.195 2.975 3.487 . 0 0 "[ . 1 . 2]" 1
2452 2 14 GLN QE 2 17 LEU QD 4.280 . 4.280 2.120 1.672 2.901 . 0 0 "[ . 1 . 2]" 1
2453 2 14 GLN QE 3 72 LYS QB 5.070 . 5.070 4.084 3.016 5.027 . 0 0 "[ . 1 . 2]" 1
2454 2 14 GLN QE 3 72 LYS QG 5.180 . 5.180 4.105 2.664 5.221 0.041 16 0 "[ . 1 . 2]" 1
2455 2 16 GLN H 2 17 LEU QD 4.590 . 4.590 4.604 4.330 4.723 0.133 11 0 "[ . 1 . 2]" 1
2456 2 16 GLN HG2 2 17 LEU QD 4.720 . 4.720 3.968 3.540 4.527 . 0 0 "[ . 1 . 2]" 1
2457 2 16 GLN HG3 2 17 LEU QD 3.500 . 3.500 3.037 2.490 3.460 . 0 0 "[ . 1 . 2]" 1
2458 2 16 GLN HE21 2 17 LEU QD 5.440 . 5.440 3.572 2.078 4.589 . 0 0 "[ . 1 . 2]" 1
2459 2 16 GLN HE22 2 17 LEU QD 5.440 . 5.440 4.547 2.471 5.396 . 0 0 "[ . 1 . 2]" 1
2460 2 17 LEU H 2 17 LEU QD 3.320 . 3.320 2.975 2.697 3.174 . 0 0 "[ . 1 . 2]" 1
2461 2 17 LEU HA 2 17 LEU QD 2.800 . 2.800 2.128 1.943 2.365 . 0 0 "[ . 1 . 2]" 1
2462 2 17 LEU HB2 2 17 LEU QD 2.840 . 2.840 2.047 2.006 2.089 . 0 0 "[ . 1 . 2]" 1
2463 2 17 LEU HB3 3 80 LYS QB 4.070 . 4.070 3.863 3.416 4.158 0.088 10 0 "[ . 1 . 2]" 1
2464 2 17 LEU QD 2 18 ASP H 4.510 . 4.510 4.147 4.084 4.199 . 0 0 "[ . 1 . 2]" 1
2465 2 17 LEU QD 2 18 ASP HB2 5.440 . 5.440 5.134 4.770 5.485 0.045 15 0 "[ . 1 . 2]" 1
2466 2 17 LEU QD 2 20 ARG QD 5.440 . 5.440 4.548 3.995 5.039 . 0 0 "[ . 1 . 2]" 1
2467 2 17 LEU QD 3 80 LYS QB 4.110 . 4.110 2.650 2.115 4.074 . 0 0 "[ . 1 . 2]" 1
2468 2 18 ASP H 2 19 HIS QB 5.040 . 5.040 4.341 4.196 4.445 . 0 0 "[ . 1 . 2]" 1
2469 2 18 ASP HA 2 19 HIS QB 5.340 . 5.340 5.376 5.253 5.430 0.090 14 0 "[ . 1 . 2]" 1
2470 2 19 HIS H 2 19 HIS QB 3.150 . 3.150 2.327 2.197 2.415 . 0 0 "[ . 1 . 2]" 1
2471 2 19 HIS QB 2 20 ARG H 4.430 . 4.430 3.693 3.591 3.782 . 0 0 "[ . 1 . 2]" 1
2472 2 19 HIS QB 2 20 ARG HA 4.530 . 4.530 4.304 4.125 4.432 . 0 0 "[ . 1 . 2]" 1
2473 2 21 GLY HA3 2 22 ASP QB 4.760 . 4.760 4.074 3.925 4.327 . 0 0 "[ . 1 . 2]" 1
2474 2 22 ASP H 2 22 ASP QB 3.060 . 3.060 2.412 2.298 2.574 . 0 0 "[ . 1 . 2]" 1
2475 2 22 ASP QB 2 23 HIS H 4.160 . 4.160 3.917 3.498 3.972 . 0 0 "[ . 1 . 2]" 1
2476 3 2 SER HA 3 3 HIS QB 4.570 . 4.570 4.359 3.743 4.713 0.143 3 0 "[ . 1 . 2]" 1
2477 3 4 MET H 3 4 MET QG 4.600 . 4.600 3.002 2.051 4.548 . 0 0 "[ . 1 . 2]" 1
2478 3 4 MET QB 3 5 ALA HA 4.510 . 4.510 4.400 4.003 4.569 0.059 14 0 "[ . 1 . 2]" 1
2479 3 7 SER QB 3 8 ARG H 4.390 . 4.390 3.639 3.071 3.828 . 0 0 "[ . 1 . 2]" 1
2480 3 7 SER QB 3 9 GLN H 4.340 . 4.340 3.796 2.608 4.375 0.035 6 0 "[ . 1 . 2]" 1
2481 3 7 SER QB 3 10 LYS H 4.540 . 4.540 3.485 2.851 4.389 . 0 0 "[ . 1 . 2]" 1
2482 3 8 ARG H 3 8 ARG QB 3.480 . 3.480 2.456 2.066 2.889 . 0 0 "[ . 1 . 2]" 1
2483 3 8 ARG H 3 8 ARG QG 3.860 . 3.860 3.137 2.118 3.946 0.086 16 0 "[ . 1 . 2]" 1
2484 3 8 ARG QB 3 9 GLN H 4.370 . 4.370 3.013 2.264 3.847 . 0 0 "[ . 1 . 2]" 1
2485 3 8 ARG QB 3 10 LYS H 5.260 . 5.260 4.446 4.265 4.919 . 0 0 "[ . 1 . 2]" 1
2486 3 9 GLN QG 3 10 LYS QG 5.340 . 5.340 5.212 4.827 5.442 0.102 3 0 "[ . 1 . 2]" 1
2487 3 10 LYS H 3 10 LYS QG 3.850 . 3.850 2.185 1.930 2.578 . 0 0 "[ . 1 . 2]" 1
2488 3 10 LYS H 3 11 TYR QB 5.340 . 5.340 4.586 4.368 4.863 . 0 0 "[ . 1 . 2]" 1
2489 3 10 LYS HA 3 10 LYS QG 3.560 . 3.560 3.391 3.312 3.551 . 0 0 "[ . 1 . 2]" 1
2490 3 10 LYS QG 3 11 TYR H 4.360 . 4.360 3.137 2.456 3.566 . 0 0 "[ . 1 . 2]" 1
2491 3 10 LYS QG 3 11 TYR QB 4.750 . 4.750 4.188 3.435 4.761 0.011 15 0 "[ . 1 . 2]" 1
2492 3 11 TYR H 3 11 TYR QB 3.040 . 3.040 2.519 2.389 2.675 . 0 0 "[ . 1 . 2]" 1
2493 3 11 TYR HA 3 14 GLU QB 4.230 . 4.230 3.098 2.620 3.405 . 0 0 "[ . 1 . 2]" 1
2494 3 11 TYR QB 3 11 TYR HD1 3.150 . 3.150 2.446 2.306 2.608 . 0 0 "[ . 1 . 2]" 1
2495 3 11 TYR QB 3 12 ALA H 3.690 . 3.690 3.623 3.578 3.692 0.002 18 0 "[ . 1 . 2]" 1
2496 3 11 TYR QB 3 14 GLU H 5.340 . 5.340 4.703 4.508 4.853 . 0 0 "[ . 1 . 2]" 1
2497 3 11 TYR QB 3 14 GLU QB 3.820 . 3.820 3.653 3.404 3.847 0.027 7 0 "[ . 1 . 2]" 1
2498 3 11 TYR QB 3 15 GLU H 4.590 . 4.590 4.251 3.952 4.439 . 0 0 "[ . 1 . 2]" 1
2499 3 12 ALA H 3 14 GLU QB 5.340 . 5.340 5.147 4.777 5.353 0.013 19 0 "[ . 1 . 2]" 1
2500 3 12 ALA HA 3 16 LEU QD 4.660 . 4.660 3.902 3.504 4.331 . 0 0 "[ . 1 . 2]" 1
2501 3 14 GLU H 3 14 GLU QB 2.830 . 2.830 2.363 2.140 2.566 . 0 0 "[ . 1 . 2]" 1
2502 3 14 GLU H 3 16 LEU QD 4.570 . 4.570 4.290 4.140 4.375 . 0 0 "[ . 1 . 2]" 1
2503 3 15 GLU H 3 16 LEU QD 4.420 . 4.420 4.431 4.222 4.490 0.070 16 0 "[ . 1 . 2]" 1
2504 3 16 LEU QD 3 18 GLN H 5.280 . 5.280 4.209 4.123 4.395 . 0 0 "[ . 1 . 2]" 1
2505 3 17 GLU H 3 17 GLU QB 2.640 . 2.640 2.254 2.047 2.335 . 0 0 "[ . 1 . 2]" 1
2506 3 17 GLU QB 3 18 GLN H 3.200 . 3.200 2.563 2.330 2.824 . 0 0 "[ . 1 . 2]" 1
2507 3 18 GLN H 3 18 GLN QG 3.540 . 3.540 2.464 2.302 2.676 . 0 0 "[ . 1 . 2]" 1
2508 3 18 GLN HA 3 18 GLN QG 3.140 . 3.140 2.709 2.347 2.957 . 0 0 "[ . 1 . 2]" 1
2509 3 19 VAL H 3 20 ARG QB 4.630 . 4.630 4.219 4.014 4.491 . 0 0 "[ . 1 . 2]" 1
2510 3 19 VAL MG1 3 24 ARG QD 5.340 . 5.340 4.601 4.108 5.142 . 0 0 "[ . 1 . 2]" 1
2511 3 20 ARG H 3 20 ARG QG 4.110 . 4.110 3.999 3.883 4.104 . 0 0 "[ . 1 . 2]" 1
2512 3 20 ARG QB 3 22 ALA H 5.000 . 5.000 4.528 4.113 4.862 . 0 0 "[ . 1 . 2]" 1
2513 3 20 ARG QG 3 21 GLU H 4.000 . 4.000 3.402 2.868 3.971 . 0 0 "[ . 1 . 2]" 1
2514 3 23 LEU HB2 3 27 GLU QG 5.200 . 5.200 4.801 4.687 4.941 . 0 0 "[ . 1 . 2]" 1
2515 3 23 LEU MD1 3 27 GLU QG 3.830 . 3.830 2.163 2.004 2.340 . 0 0 "[ . 1 . 2]" 1
2516 3 24 ARG H 3 24 ARG QG 4.140 . 4.140 3.620 3.561 3.690 . 0 0 "[ . 1 . 2]" 1
2517 3 24 ARG HA 3 27 GLU QG 4.840 . 4.840 3.038 2.698 3.701 . 0 0 "[ . 1 . 2]" 1
2518 3 24 ARG HB2 3 24 ARG QD 3.500 . 3.500 2.524 2.458 2.649 . 0 0 "[ . 1 . 2]" 1
2519 3 24 ARG HB3 3 24 ARG QD 3.700 . 3.700 3.403 3.295 3.516 . 0 0 "[ . 1 . 2]" 1
2520 3 24 ARG QG 3 25 LYS H 5.340 . 5.340 4.709 4.456 4.838 . 0 0 "[ . 1 . 2]" 1
2521 3 25 LYS H 3 25 LYS QB 3.170 . 3.170 2.149 2.041 2.447 . 0 0 "[ . 1 . 2]" 1
2522 3 25 LYS H 3 25 LYS QG 3.700 . 3.700 3.713 2.590 3.857 0.157 6 0 "[ . 1 . 2]" 1
2523 3 25 LYS QB 3 26 ALA H 3.310 . 3.310 2.335 2.198 2.836 . 0 0 "[ . 1 . 2]" 1
2524 3 26 ALA MB 3 27 GLU QG 4.600 . 4.600 3.456 3.297 3.665 . 0 0 "[ . 1 . 2]" 1
2525 3 26 ALA MB 3 30 LEU QD 3.840 . 3.840 3.607 3.407 3.830 . 0 0 "[ . 1 . 2]" 1
2526 3 27 GLU H 3 27 GLU QG 3.470 . 3.470 2.394 2.261 2.684 . 0 0 "[ . 1 . 2]" 1
2527 3 27 GLU HA 3 30 LEU QD 4.600 . 4.600 4.218 4.104 4.315 . 0 0 "[ . 1 . 2]" 1
2528 3 27 GLU QG 3 30 LEU HB2 5.340 . 5.340 5.132 4.900 5.232 . 0 0 "[ . 1 . 2]" 1
2529 3 27 GLU QG 3 30 LEU HB3 5.240 . 5.240 4.711 4.513 4.807 . 0 0 "[ . 1 . 2]" 1
2530 3 27 GLU QG 3 30 LEU QD 5.280 . 5.280 5.061 4.851 5.170 . 0 0 "[ . 1 . 2]" 1
2531 3 27 GLU QG 3 49 THR HB 4.410 . 4.410 3.842 3.615 4.110 . 0 0 "[ . 1 . 2]" 1
2532 3 27 GLU QG 3 49 THR MG 4.040 . 4.040 2.203 1.949 2.491 . 0 0 "[ . 1 . 2]" 1
2533 3 29 GLU QG 3 30 LEU QD 4.120 . 4.120 3.704 3.563 3.821 . 0 0 "[ . 1 . 2]" 1
2534 3 30 LEU H 3 30 LEU QD 4.070 . 4.070 3.663 3.603 3.702 . 0 0 "[ . 1 . 2]" 1
2535 3 30 LEU HA 3 30 LEU QD 2.840 . 2.840 2.239 2.192 2.287 . 0 0 "[ . 1 . 2]" 1
2536 3 30 LEU QD 3 31 GLU H 4.060 . 4.060 3.230 3.114 3.346 . 0 0 "[ . 1 . 2]" 1
2537 3 30 LEU QD 3 31 GLU QB 4.480 . 4.480 4.136 3.866 4.287 . 0 0 "[ . 1 . 2]" 1
2538 3 30 LEU QD 3 37 TYR HE2 4.590 . 4.590 4.243 3.924 4.586 . 0 0 "[ . 1 . 2]" 1
2539 3 30 LEU QD 3 37 TYR HD1 4.680 . 4.680 4.721 4.606 4.787 0.107 19 0 "[ . 1 . 2]" 1
2540 3 30 LEU QD 3 45 TRP H 4.960 . 4.960 4.014 3.752 4.213 . 0 0 "[ . 1 . 2]" 1
2541 3 30 LEU QD 3 45 TRP HB2 3.710 . 3.710 2.548 2.368 2.694 . 0 0 "[ . 1 . 2]" 1
2542 3 30 LEU QD 3 45 TRP HB3 4.260 . 4.260 2.784 2.690 2.945 . 0 0 "[ . 1 . 2]" 1
2543 3 30 LEU QD 3 45 TRP HD1 4.110 . 4.110 3.127 2.822 3.377 . 0 0 "[ . 1 . 2]" 1
2544 3 30 LEU QD 3 45 TRP HE1 4.840 . 4.840 3.905 3.697 4.080 . 0 0 "[ . 1 . 2]" 1
2545 3 30 LEU QD 3 46 LEU H 5.440 . 5.440 4.542 4.416 4.720 . 0 0 "[ . 1 . 2]" 1
2546 3 31 GLU H 3 31 GLU QG 3.380 . 3.380 2.299 2.001 2.662 . 0 0 "[ . 1 . 2]" 1
2547 3 31 GLU H 3 32 SER QB 5.340 . 5.340 4.937 4.680 5.372 0.032 12 0 "[ . 1 . 2]" 1
2548 3 31 GLU HA 3 31 GLU QG 3.460 . 3.460 3.322 3.289 3.366 . 0 0 "[ . 1 . 2]" 1
2549 3 31 GLU QG 3 32 SER H 3.980 . 3.980 2.292 2.032 2.638 . 0 0 "[ . 1 . 2]" 1
2550 3 31 GLU QG 4 15 ASP HB2 5.330 . 5.330 5.368 5.243 5.419 0.089 16 0 "[ . 1 . 2]" 1
2551 3 32 SER H 3 32 SER QB 3.230 . 3.230 2.399 2.226 2.785 . 0 0 "[ . 1 . 2]" 1
2552 3 32 SER H 3 33 HIS QB 4.830 . 4.830 4.373 4.061 4.592 . 0 0 "[ . 1 . 2]" 1
2553 3 32 SER QB 3 33 HIS H 3.970 . 3.970 2.661 2.338 3.446 . 0 0 "[ . 1 . 2]" 1
2554 3 33 HIS H 3 33 HIS QB 3.260 . 3.260 2.287 2.041 2.426 . 0 0 "[ . 1 . 2]" 1
2555 3 33 HIS QB 3 34 SER H 4.480 . 4.480 3.033 2.856 3.254 . 0 0 "[ . 1 . 2]" 1
2556 3 33 HIS QB 3 37 TYR HE2 4.110 . 4.110 2.253 1.965 3.076 . 0 0 "[ . 1 . 2]" 1
2557 3 34 SER H 3 34 SER QB 3.170 . 3.170 2.515 2.264 2.618 . 0 0 "[ . 1 . 2]" 1
2558 3 35 SER H 3 35 SER QB 3.180 . 3.180 2.407 2.205 2.680 . 0 0 "[ . 1 . 2]" 1
2559 3 35 SER HA 4 19 HIS QB 5.130 . 5.130 3.460 2.551 4.367 . 0 0 "[ . 1 . 2]" 1
2560 3 35 SER QB 3 36 TRP H 3.830 . 3.830 3.251 2.901 3.716 . 0 0 "[ . 1 . 2]" 1
2561 3 35 SER QB 3 36 TRP HE1 4.700 . 4.700 3.962 3.308 4.755 0.055 18 0 "[ . 1 . 2]" 1
2562 3 38 ALA HA 3 39 PRO QB 4.980 . 4.980 4.553 4.471 4.728 . 0 0 "[ . 1 . 2]" 1
2563 3 38 ALA MB 3 39 PRO QB 4.920 . 4.920 4.621 4.379 4.714 . 0 0 "[ . 1 . 2]" 1
2564 3 39 PRO QB 3 42 LEU H 5.340 . 5.340 4.501 4.054 4.946 . 0 0 "[ . 1 . 2]" 1
2565 3 39 PRO QB 4 20 ARG QD 3.860 . 3.860 3.509 2.411 3.902 0.042 19 0 "[ . 1 . 2]" 1
2566 3 39 PRO QB 4 23 HIS HA 5.340 . 5.340 5.011 4.100 5.402 0.062 20 0 "[ . 1 . 2]" 1
2567 3 39 PRO QG 4 20 ARG HG2 4.020 . 4.020 2.579 2.053 3.795 . 0 0 "[ . 1 . 2]" 1
2568 3 42 LEU HB3 3 43 GLN QG 5.340 . 5.340 4.658 3.451 5.454 0.114 9 0 "[ . 1 . 2]" 1
2569 3 43 GLN H 3 43 GLN QG 3.880 . 3.880 3.181 2.203 3.886 0.006 8 0 "[ . 1 . 2]" 1
2570 3 45 TRP HA 3 48 LEU QB 3.690 . 3.690 2.755 2.525 3.148 . 0 0 "[ . 1 . 2]" 1
2571 3 45 TRP HA 3 48 LEU QD 4.290 . 4.290 3.655 2.976 4.034 . 0 0 "[ . 1 . 2]" 1
2572 3 45 TRP HE3 3 46 LEU QB 4.840 . 4.840 2.746 2.645 2.946 . 0 0 "[ . 1 . 2]" 1
2573 3 46 LEU QB 3 47 GLN H 3.650 . 3.650 2.694 2.578 2.814 . 0 0 "[ . 1 . 2]" 1
2574 3 46 LEU MD1 3 50 HIS QB 4.540 . 4.540 2.262 2.114 2.478 . 0 0 "[ . 1 . 2]" 1
2575 3 47 GLN H 3 48 LEU QD 4.300 . 4.300 4.190 4.046 4.416 0.116 1 0 "[ . 1 . 2]" 1
2576 3 47 GLN HA 3 50 HIS QB 3.790 . 3.790 3.131 2.535 3.575 . 0 0 "[ . 1 . 2]" 1
2577 3 47 GLN HB2 3 48 LEU QD 4.540 . 4.540 4.222 3.921 4.500 . 0 0 "[ . 1 . 2]" 1
2578 3 48 LEU H 3 48 LEU QB 2.960 . 2.960 2.225 2.112 2.550 . 0 0 "[ . 1 . 2]" 1
2579 3 48 LEU H 3 48 LEU QD 4.170 . 4.170 2.563 2.478 2.886 . 0 0 "[ . 1 . 2]" 1
2580 3 48 LEU QB 3 48 LEU QD 2.710 . 2.710 2.026 1.956 2.068 . 0 0 "[ . 1 . 2]" 1
2581 3 48 LEU QB 3 49 THR H 3.560 . 3.560 2.642 2.487 2.877 . 0 0 "[ . 1 . 2]" 1
2582 3 48 LEU QB 3 49 THR MG 4.270 . 4.270 3.475 3.332 3.736 . 0 0 "[ . 1 . 2]" 1
2583 3 48 LEU QD 3 49 THR H 4.250 . 4.250 4.007 3.946 4.103 . 0 0 "[ . 1 . 2]" 1
2584 3 49 THR H 3 50 HIS QB 5.200 . 5.200 4.459 4.243 4.590 . 0 0 "[ . 1 . 2]" 1
2585 3 49 THR HB 3 50 HIS QB 5.320 . 5.320 4.479 4.316 4.667 . 0 0 "[ . 1 . 2]" 1
2586 3 50 HIS H 3 50 HIS QB 3.450 . 3.450 2.239 2.145 2.307 . 0 0 "[ . 1 . 2]" 1
2587 3 50 HIS HA 3 53 GLU QG 4.610 . 4.610 4.015 3.639 4.516 . 0 0 "[ . 1 . 2]" 1
2588 3 51 GLU QG 3 52 VAL H 3.820 . 3.820 3.470 3.193 3.686 . 0 0 "[ . 1 . 2]" 1
2589 3 51 GLU QG 3 52 VAL HA 4.270 . 4.270 3.422 3.187 3.706 . 0 0 "[ . 1 . 2]" 1
2590 3 51 GLU QG 3 52 VAL MG2 4.040 . 4.040 3.208 2.772 3.513 . 0 0 "[ . 1 . 2]" 1
2591 3 52 VAL MG1 3 56 TYR QB 4.160 . 4.160 3.203 2.926 3.524 . 0 0 "[ . 1 . 2]" 1
2592 3 53 GLU H 3 53 GLU QG 4.260 . 4.260 3.905 3.760 3.996 . 0 0 "[ . 1 . 2]" 1
2593 3 53 GLU QG 3 54 VAL HA 4.620 . 4.620 4.179 3.558 4.618 . 0 0 "[ . 1 . 2]" 1
2594 3 53 GLU QG 3 57 TYR H 5.270 . 5.270 4.910 4.488 5.147 . 0 0 "[ . 1 . 2]" 1
2595 3 54 VAL MG1 3 58 ASN QB 5.210 . 5.210 3.076 2.760 3.526 . 0 0 "[ . 1 . 2]" 1
2596 3 56 TYR H 3 56 TYR QB 3.680 . 3.680 2.333 2.160 2.574 . 0 0 "[ . 1 . 2]" 1
2597 3 56 TYR QB 3 57 TYR H 4.100 . 4.100 3.412 3.314 3.518 . 0 0 "[ . 1 . 2]" 1
2598 3 56 TYR QB 3 59 ILE HB 4.600 . 4.600 4.110 3.986 4.225 . 0 0 "[ . 1 . 2]" 1
2599 3 56 TYR QB 3 59 ILE MD 3.660 . 3.660 3.563 3.447 3.667 0.007 13 0 "[ . 1 . 2]" 1
2600 3 56 TYR QB 3 60 LYS H 5.320 . 5.320 4.815 4.611 5.029 . 0 0 "[ . 1 . 2]" 1
2601 3 57 TYR H 3 58 ASN QB 5.340 . 5.340 4.474 4.255 4.698 . 0 0 "[ . 1 . 2]" 1
2602 3 58 ASN H 3 58 ASN QB 3.040 . 3.040 2.213 2.129 2.287 . 0 0 "[ . 1 . 2]" 1
2603 3 58 ASN QB 3 59 ILE HG13 4.860 . 4.860 3.145 2.915 3.583 . 0 0 "[ . 1 . 2]" 1
2604 3 58 ASN QB 3 59 ILE MD 4.770 . 4.770 4.301 4.122 4.628 . 0 0 "[ . 1 . 2]" 1
2605 3 59 ILE MG 3 63 ASN QB 4.750 . 4.750 3.475 3.085 4.140 . 0 0 "[ . 1 . 2]" 1
2606 3 60 LYS H 3 60 LYS QE 4.620 . 4.620 4.272 4.071 4.630 0.010 12 0 "[ . 1 . 2]" 1
2607 3 60 LYS HA 3 63 ASN QB 3.300 . 3.300 2.174 1.979 2.487 . 0 0 "[ . 1 . 2]" 1
2608 3 61 LYS HG3 3 65 GLU QG 4.660 . 4.660 4.000 3.234 4.368 . 0 0 "[ . 1 . 2]" 1
2609 3 63 ASN H 3 63 ASN QB 3.270 . 3.270 2.350 2.213 2.551 . 0 0 "[ . 1 . 2]" 1
2610 3 63 ASN HA 3 66 LYS QG 5.340 . 5.340 4.090 1.935 4.762 . 0 0 "[ . 1 . 2]" 1
2611 3 63 ASN HA 3 66 LYS QD 5.180 . 5.180 3.085 1.994 3.649 . 0 0 "[ . 1 . 2]" 1
2612 3 63 ASN QB 3 64 ALA H 3.500 . 3.500 2.392 2.183 2.703 . 0 0 "[ . 1 . 2]" 1
2613 3 63 ASN QB 3 64 ALA HA 3.970 . 3.970 3.805 3.549 3.983 0.013 2 0 "[ . 1 . 2]" 1
2614 3 63 ASN QB 3 64 ALA MB 4.320 . 4.320 3.665 3.441 3.926 . 0 0 "[ . 1 . 2]" 1
2615 3 63 ASN QB 3 66 LYS H 5.340 . 5.340 4.992 4.798 5.182 . 0 0 "[ . 1 . 2]" 1
2616 3 63 ASN QB 3 67 GLN H 5.030 . 5.030 4.713 4.339 4.968 . 0 0 "[ . 1 . 2]" 1
2617 3 63 ASN QB 3 67 GLN QB 4.760 . 4.760 4.677 4.127 4.902 0.142 19 0 "[ . 1 . 2]" 1
2618 3 63 ASN QB 3 67 GLN QG 4.720 . 4.720 3.800 3.059 4.778 0.058 8 0 "[ . 1 . 2]" 1
2619 3 64 ALA H 3 65 GLU QG 5.040 . 5.040 4.570 4.322 4.743 . 0 0 "[ . 1 . 2]" 1
2620 3 64 ALA MB 3 68 LEU QD 3.550 . 3.550 3.279 3.064 3.596 0.046 11 0 "[ . 1 . 2]" 1
2621 3 65 GLU H 3 65 GLU QG 3.450 . 3.450 2.264 2.063 2.440 . 0 0 "[ . 1 . 2]" 1
2622 3 65 GLU H 3 68 LEU QD 4.500 . 4.500 4.083 3.942 4.297 . 0 0 "[ . 1 . 2]" 1
2623 3 66 LYS QG 3 67 GLN H 3.980 . 3.980 3.503 2.318 3.972 . 0 0 "[ . 1 . 2]" 1
2624 3 66 LYS QD 3 67 GLN H 4.380 . 4.380 4.258 3.891 4.447 0.067 7 0 "[ . 1 . 2]" 1
2625 3 67 GLN H 3 67 GLN QG 3.260 . 3.260 2.420 2.105 3.409 0.149 8 0 "[ . 1 . 2]" 1
2626 3 67 GLN HA 3 70 VAL QG 3.370 . 3.370 1.936 1.713 3.185 . 0 0 "[ . 1 . 2]" 1
2627 3 67 GLN QG 3 70 VAL QG 4.130 . 4.130 3.976 3.515 4.305 0.175 2 0 "[ . 1 . 2]" 1
2628 3 68 LEU H 3 68 LEU QD 4.240 . 4.240 3.199 3.115 3.265 . 0 0 "[ . 1 . 2]" 1
2629 3 69 LEU H 3 69 LEU QD 4.260 . 4.260 3.712 3.640 3.764 . 0 0 "[ . 1 . 2]" 1
2630 3 69 LEU H 3 70 VAL QG 4.220 . 4.220 4.034 3.916 4.234 0.014 9 0 "[ . 1 . 2]" 1
2631 3 69 LEU HB3 3 70 VAL QG 4.310 . 4.310 3.924 3.202 4.204 . 0 0 "[ . 1 . 2]" 1
2632 3 69 LEU HG 3 70 VAL QG 5.390 . 5.390 4.477 3.890 5.398 0.008 7 0 "[ . 1 . 2]" 1
2633 3 70 VAL H 3 70 VAL QG 2.950 . 2.950 2.154 1.996 2.320 . 0 0 "[ . 1 . 2]" 1
2634 3 70 VAL HA 3 73 GLU QG 4.460 . 4.460 2.800 1.880 3.558 . 0 0 "[ . 1 . 2]" 1
2635 3 70 VAL QG 3 71 ALA H 3.330 . 3.330 2.332 2.152 3.031 . 0 0 "[ . 1 . 2]" 1
2636 3 70 VAL QG 3 71 ALA HA 4.170 . 4.170 3.148 3.051 3.257 . 0 0 "[ . 1 . 2]" 1
2637 3 70 VAL QG 3 71 ALA MB 3.960 . 3.960 2.955 2.679 3.528 . 0 0 "[ . 1 . 2]" 1
2638 3 70 VAL QG 3 72 LYS H 5.210 . 5.210 4.232 4.127 4.545 . 0 0 "[ . 1 . 2]" 1
2639 3 70 VAL QG 3 73 GLU H 5.090 . 5.090 4.539 4.382 4.727 . 0 0 "[ . 1 . 2]" 1
2640 3 70 VAL QG 3 74 GLY H 4.460 . 4.460 3.848 3.702 4.007 . 0 0 "[ . 1 . 2]" 1
2641 3 72 LYS H 3 72 LYS QD 4.610 . 4.610 4.500 3.757 4.686 0.076 5 0 "[ . 1 . 2]" 1
2642 3 73 GLU H 3 73 GLU QG 3.320 . 3.320 2.266 2.022 2.552 . 0 0 "[ . 1 . 2]" 1
2643 3 73 GLU QG 3 74 GLY H 4.110 . 4.110 3.337 1.849 4.111 0.001 20 0 "[ . 1 . 2]" 1
2644 3 75 ALA H 3 76 GLU QG 5.130 . 5.130 4.067 3.794 4.266 . 0 0 "[ . 1 . 2]" 1
2645 3 75 ALA HA 3 78 ILE QG 4.170 . 4.170 3.835 2.720 4.252 0.082 20 0 "[ . 1 . 2]" 1
2646 3 76 GLU H 3 76 GLU QG 3.250 . 3.250 2.149 1.943 2.407 . 0 0 "[ . 1 . 2]" 1
2647 3 76 GLU H 3 78 ILE QG 4.900 . 4.900 5.001 4.706 5.047 0.147 3 0 "[ . 1 . 2]" 1
2648 3 76 GLU QG 3 77 LYS H 3.620 . 3.620 2.470 2.199 2.818 . 0 0 "[ . 1 . 2]" 1
2649 3 76 GLU QG 3 78 ILE H 5.340 . 5.340 4.730 4.495 5.049 . 0 0 "[ . 1 . 2]" 1
2650 3 77 LYS QB 3 78 ILE QG 4.300 . 4.300 2.763 2.210 3.743 . 0 0 "[ . 1 . 2]" 1
2651 3 78 ILE H 3 78 ILE QG 2.800 . 2.800 1.859 1.658 1.996 . 0 0 "[ . 1 . 2]" 1
2652 3 78 ILE QG 3 79 LYS H 3.600 . 3.600 3.236 1.721 3.410 . 0 0 "[ . 1 . 2]" 1
2653 3 79 LYS H 3 79 LYS QB 3.460 . 3.460 3.118 2.595 3.442 . 0 0 "[ . 1 . 2]" 1
2654 3 79 LYS QB 3 80 LYS H 3.830 . 3.830 3.149 1.912 3.878 0.048 7 0 "[ . 1 . 2]" 1
2655 3 79 LYS QG 3 80 LYS H 3.930 . 3.930 3.485 2.516 4.210 0.280 1 0 "[ . 1 . 2]" 1
2656 3 80 LYS QB 3 81 LYS H 3.300 . 3.300 2.585 1.796 3.377 0.077 2 0 "[ . 1 . 2]" 1
2657 3 81 LYS H 3 81 LYS QB 3.090 . 3.090 2.870 2.510 3.141 0.051 10 0 "[ . 1 . 2]" 1
2658 3 82 ARG H 3 82 ARG QB 3.330 . 3.330 2.642 2.317 3.222 . 0 0 "[ . 1 . 2]" 1
2659 4 1 GLY QA 4 5 ASN QB 4.400 . 4.400 2.651 2.379 3.314 . 0 0 "[ . 1 . 2]" 1
2660 4 2 SER HA 4 5 ASN QB 4.330 . 4.330 4.189 3.973 4.339 0.009 3 0 "[ . 1 . 2]" 1
2661 4 2 SER HB2 4 5 ASN QB 4.200 . 4.200 3.476 2.658 4.210 0.010 19 0 "[ . 1 . 2]" 1
2662 4 2 SER HB3 4 5 ASN QB 5.300 . 5.300 4.714 4.025 5.242 . 0 0 "[ . 1 . 2]" 1
2663 4 3 GLU HA 4 5 ASN QB 5.340 . 5.340 4.819 4.655 5.026 . 0 0 "[ . 1 . 2]" 1
2664 4 3 GLU QG 4 4 LEU H 4.590 . 4.590 4.104 3.647 4.298 . 0 0 "[ . 1 . 2]" 1
2665 4 3 GLU QG 4 7 LEU HG 4.030 . 4.030 3.211 2.345 4.055 0.025 10 0 "[ . 1 . 2]" 1
2666 4 4 LEU H 4 5 ASN QB 4.510 . 4.510 4.245 4.094 4.352 . 0 0 "[ . 1 . 2]" 1
2667 4 4 LEU HG 4 5 ASN QB 4.620 . 4.620 3.046 2.802 3.359 . 0 0 "[ . 1 . 2]" 1
2668 4 4 LEU MD1 4 5 ASN QB 5.340 . 5.340 3.540 2.679 3.691 . 0 0 "[ . 1 . 2]" 1
2669 4 4 LEU MD2 4 5 ASN QB 5.340 . 5.340 4.239 3.870 4.579 . 0 0 "[ . 1 . 2]" 1
2670 4 5 ASN H 4 5 ASN QB 2.870 . 2.870 2.044 1.985 2.094 . 0 0 "[ . 1 . 2]" 1
2671 4 5 ASN HA 4 5 ASN QD 3.690 . 3.690 1.974 1.831 2.531 . 0 0 "[ . 1 . 2]" 1
2672 4 5 ASN QB 4 5 ASN QD 3.090 . 3.090 2.734 2.691 2.784 . 0 0 "[ . 1 . 2]" 1
2673 4 5 ASN QB 4 6 GLU H 3.190 . 3.190 2.005 1.928 2.111 . 0 0 "[ . 1 . 2]" 1
2674 4 5 ASN QB 4 6 GLU HA 4.750 . 4.750 3.733 3.618 3.826 . 0 0 "[ . 1 . 2]" 1
2675 4 5 ASN QB 4 6 GLU HB3 5.140 . 5.140 3.713 3.601 3.884 . 0 0 "[ . 1 . 2]" 1
2676 4 5 ASN QB 4 6 GLU HG2 5.290 . 5.290 3.309 3.101 3.505 . 0 0 "[ . 1 . 2]" 1
2677 4 5 ASN QB 4 6 GLU HG3 4.740 . 4.740 4.209 4.122 4.351 . 0 0 "[ . 1 . 2]" 1
2678 4 5 ASN QB 4 8 ALA MB 4.920 . 4.920 4.304 4.208 4.392 . 0 0 "[ . 1 . 2]" 1
2679 4 5 ASN QB 4 9 GLU H 5.340 . 5.340 5.257 5.168 5.307 . 0 0 "[ . 1 . 2]" 1
2680 4 5 ASN QD 4 6 GLU H 5.340 . 5.340 4.272 3.676 4.443 . 0 0 "[ . 1 . 2]" 1
2681 4 5 ASN QD 4 8 ALA MB 4.520 . 4.520 3.303 3.053 3.507 . 0 0 "[ . 1 . 2]" 1
2682 4 6 GLU H 4 7 LEU QD 5.440 . 5.440 4.917 4.689 5.023 . 0 0 "[ . 1 . 2]" 1
2683 4 7 LEU H 4 7 LEU QD 3.560 . 3.560 3.200 3.023 3.322 . 0 0 "[ . 1 . 2]" 1
2684 4 7 LEU HA 4 7 LEU QD 2.980 . 2.980 1.967 1.938 2.025 . 0 0 "[ . 1 . 2]" 1
2685 4 7 LEU HB2 4 7 LEU QD 2.690 . 2.690 2.358 2.300 2.418 . 0 0 "[ . 1 . 2]" 1
2686 4 7 LEU HB3 4 7 LEU QD 2.950 . 2.950 2.116 2.065 2.132 . 0 0 "[ . 1 . 2]" 1
2687 4 7 LEU QD 4 8 ALA H 4.900 . 4.900 4.320 4.255 4.363 . 0 0 "[ . 1 . 2]" 1
2688 4 7 LEU QD 4 10 PHE QB 3.660 . 3.660 2.625 2.444 2.978 . 0 0 "[ . 1 . 2]" 1
2689 4 7 LEU QD 4 11 ALA H 4.430 . 4.430 4.099 3.986 4.217 . 0 0 "[ . 1 . 2]" 1
2690 4 7 LEU QD 4 11 ALA HA 5.440 . 5.440 5.038 4.804 5.198 . 0 0 "[ . 1 . 2]" 1
2691 4 7 LEU QD 4 11 ALA MB 3.660 . 3.660 3.665 3.555 3.707 0.047 10 0 "[ . 1 . 2]" 1
2692 4 9 GLU H 4 13 LEU QD 5.440 . 5.440 5.345 5.059 5.507 0.067 18 0 "[ . 1 . 2]" 1
2693 4 9 GLU HA 4 13 LEU QD 3.940 . 3.940 3.655 3.095 3.991 0.051 17 0 "[ . 1 . 2]" 1
2694 4 9 GLU HG2 4 13 LEU QD 3.760 . 3.760 2.408 2.187 2.552 . 0 0 "[ . 1 . 2]" 1
2695 4 10 PHE H 4 13 LEU QD 4.930 . 4.930 4.394 4.270 4.677 . 0 0 "[ . 1 . 2]" 1
2696 4 12 ARG H 4 13 LEU QD 5.350 . 5.350 4.566 4.156 4.888 . 0 0 "[ . 1 . 2]" 1
2697 4 12 ARG HG3 4 13 LEU QD 3.350 . 3.350 2.593 1.977 3.156 . 0 0 "[ . 1 . 2]" 1
2698 4 12 ARG HD2 4 13 LEU QD 5.440 . 5.440 4.508 3.849 5.088 . 0 0 "[ . 1 . 2]" 1
2699 4 12 ARG HD3 4 13 LEU QD 5.440 . 5.440 4.222 2.867 4.976 . 0 0 "[ . 1 . 2]" 1
2700 4 13 LEU H 4 13 LEU QD 3.460 . 3.460 2.852 2.406 3.183 . 0 0 "[ . 1 . 2]" 1
2701 4 13 LEU QD 4 14 GLN H 4.970 . 4.970 4.002 3.961 4.068 . 0 0 "[ . 1 . 2]" 1
2702 4 13 LEU QD 4 16 GLN HG2 4.460 . 4.460 3.577 2.919 3.901 . 0 0 "[ . 1 . 2]" 1
2703 4 13 LEU QD 4 16 GLN HE21 5.440 . 5.440 4.663 3.445 5.482 0.042 3 0 "[ . 1 . 2]" 1
2704 4 13 LEU QD 4 16 GLN HE22 5.030 . 5.030 4.422 3.392 5.056 0.026 16 0 "[ . 1 . 2]" 1
2705 4 14 GLN H 4 14 GLN QE 5.340 . 5.340 3.937 3.364 4.526 . 0 0 "[ . 1 . 2]" 1
2706 4 14 GLN H 4 17 LEU QD 5.350 . 5.350 4.148 3.848 4.404 . 0 0 "[ . 1 . 2]" 1
2707 4 14 GLN HA 4 14 GLN QE 4.720 . 4.720 2.216 1.834 2.562 . 0 0 "[ . 1 . 2]" 1
2708 4 14 GLN HA 4 17 LEU QD 3.730 . 3.730 2.738 2.540 2.925 . 0 0 "[ . 1 . 2]" 1
2709 4 14 GLN HB2 4 17 LEU QD 5.270 . 5.270 4.863 4.591 5.074 . 0 0 "[ . 1 . 2]" 1
2710 4 14 GLN HG2 4 17 LEU QD 3.920 . 3.920 3.787 3.532 3.976 0.056 2 0 "[ . 1 . 2]" 1
2711 4 14 GLN QE 4 17 LEU HB2 4.830 . 4.830 3.195 2.900 3.604 . 0 0 "[ . 1 . 2]" 1
2712 4 14 GLN QE 4 17 LEU HB3 5.340 . 5.340 3.204 2.945 3.555 . 0 0 "[ . 1 . 2]" 1
2713 4 14 GLN QE 4 17 LEU QD 4.280 . 4.280 2.104 1.633 2.883 . 0 0 "[ . 1 . 2]" 1
2714 4 16 GLN H 4 17 LEU QD 4.590 . 4.590 4.611 4.296 4.735 0.145 12 0 "[ . 1 . 2]" 1
2715 4 16 GLN HG2 4 17 LEU QD 4.720 . 4.720 4.027 3.551 4.475 . 0 0 "[ . 1 . 2]" 1
2716 4 16 GLN HG3 4 17 LEU QD 3.500 . 3.500 3.048 2.580 3.395 . 0 0 "[ . 1 . 2]" 1
2717 4 16 GLN HE21 4 17 LEU QD 5.440 . 5.440 3.566 2.064 4.905 . 0 0 "[ . 1 . 2]" 1
2718 4 16 GLN HE22 4 17 LEU QD 5.440 . 5.440 4.544 2.458 5.443 0.003 13 0 "[ . 1 . 2]" 1
2719 4 17 LEU H 4 17 LEU QD 3.320 . 3.320 2.975 2.664 3.179 . 0 0 "[ . 1 . 2]" 1
2720 4 17 LEU HA 4 17 LEU QD 2.800 . 2.800 2.123 1.939 2.317 . 0 0 "[ . 1 . 2]" 1
2721 4 17 LEU HB2 4 17 LEU QD 2.840 . 2.840 2.050 2.000 2.094 . 0 0 "[ . 1 . 2]" 1
2722 4 17 LEU QD 4 18 ASP H 4.510 . 4.510 4.148 4.075 4.224 . 0 0 "[ . 1 . 2]" 1
2723 4 17 LEU QD 4 18 ASP HB2 5.440 . 5.440 5.127 4.741 5.491 0.051 15 0 "[ . 1 . 2]" 1
2724 4 17 LEU QD 4 20 ARG QD 5.440 . 5.440 4.528 3.806 5.144 . 0 0 "[ . 1 . 2]" 1
2725 4 18 ASP H 4 19 HIS QB 5.040 . 5.040 4.341 4.236 4.498 . 0 0 "[ . 1 . 2]" 1
2726 4 18 ASP HA 4 19 HIS QB 5.340 . 5.340 5.377 5.257 5.429 0.089 20 0 "[ . 1 . 2]" 1
2727 4 19 HIS H 4 19 HIS QB 3.150 . 3.150 2.321 2.195 2.424 . 0 0 "[ . 1 . 2]" 1
2728 4 19 HIS QB 4 20 ARG H 4.430 . 4.430 3.689 3.591 3.786 . 0 0 "[ . 1 . 2]" 1
2729 4 19 HIS QB 4 20 ARG HA 4.530 . 4.530 4.292 4.130 4.435 . 0 0 "[ . 1 . 2]" 1
2730 4 21 GLY HA3 4 22 ASP QB 4.760 . 4.760 4.070 3.938 4.344 . 0 0 "[ . 1 . 2]" 1
2731 4 22 ASP H 4 22 ASP QB 3.060 . 3.060 2.414 2.317 2.614 . 0 0 "[ . 1 . 2]" 1
2732 4 22 ASP QB 4 23 HIS H 4.160 . 4.160 3.919 3.601 3.986 . 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 280
_Distance_constraint_stats_list.Viol_count 1460
_Distance_constraint_stats_list.Viol_total 1402.279
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0308
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.0480
_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 11 TYR 0.195 0.048 5 0 "[ . 1 . 2]"
1 12 ALA 0.003 0.003 6 0 "[ . 1 . 2]"
1 13 GLU 2.060 0.109 7 0 "[ . 1 . 2]"
1 14 GLU 0.371 0.043 8 0 "[ . 1 . 2]"
1 15 GLU 0.247 0.048 5 0 "[ . 1 . 2]"
1 16 LEU 0.317 0.061 20 0 "[ . 1 . 2]"
1 17 GLU 5.551 0.156 16 0 "[ . 1 . 2]"
1 18 GLN 0.382 0.043 8 0 "[ . 1 . 2]"
1 19 VAL 0.051 0.046 3 0 "[ . 1 . 2]"
1 20 ARG 3.064 0.163 7 0 "[ . 1 . 2]"
1 21 GLU 4.355 0.156 16 0 "[ . 1 . 2]"
1 22 ALA 0.029 0.018 20 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 3.865 0.163 7 0 "[ . 1 . 2]"
1 25 LYS 0.964 0.106 14 0 "[ . 1 . 2]"
1 26 ALA 0.018 0.018 20 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 19 0 "[ . 1 . 2]"
1 28 LYS 3.839 0.172 13 0 "[ . 1 . 2]"
1 29 GLU 0.192 0.064 12 0 "[ . 1 . 2]"
1 30 LEU 0.042 0.040 18 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 19 0 "[ . 1 . 2]"
1 32 SER 2.724 0.172 13 0 "[ . 1 . 2]"
1 33 HIS 0.093 0.064 12 0 "[ . 1 . 2]"
1 34 SER 0.042 0.040 18 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.048 0.037 8 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLN 0.189 0.043 15 0 "[ . 1 . 2]"
1 44 LYS 0.057 0.037 8 0 "[ . 1 . 2]"
1 45 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.022 0.010 11 0 "[ . 1 . 2]"
1 47 GLN 0.284 0.043 15 0 "[ . 1 . 2]"
1 48 LEU 0.222 0.049 14 0 "[ . 1 . 2]"
1 49 THR 0.162 0.031 20 0 "[ . 1 . 2]"
1 50 HIS 0.022 0.010 11 0 "[ . 1 . 2]"
1 51 GLU 0.129 0.035 9 0 "[ . 1 . 2]"
1 52 VAL 0.214 0.049 14 0 "[ . 1 . 2]"
1 53 GLU 2.477 0.117 18 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 0.035 0.015 14 0 "[ . 1 . 2]"
1 56 TYR 0.171 0.055 12 0 "[ . 1 . 2]"
1 57 TYR 2.316 0.117 18 0 "[ . 1 . 2]"
1 58 ASN 0.042 0.040 5 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.171 0.055 12 0 "[ . 1 . 2]"
1 61 LYS 0.103 0.038 10 0 "[ . 1 . 2]"
1 62 GLN 0.447 0.062 19 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 1.255 0.093 8 0 "[ . 1 . 2]"
1 66 LYS 0.442 0.062 19 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.930 0.094 10 0 "[ . 1 . 2]"
1 69 LEU 1.909 0.093 8 0 "[ . 1 . 2]"
1 70 VAL 0.075 0.029 9 0 "[ . 1 . 2]"
1 71 ALA 0.013 0.013 15 0 "[ . 1 . 2]"
1 72 LYS 2.050 0.134 18 0 "[ . 1 . 2]"
1 73 GLU 1.754 0.100 1 0 "[ . 1 . 2]"
1 74 GLY 0.098 0.041 9 0 "[ . 1 . 2]"
1 75 ALA 0.013 0.013 15 0 "[ . 1 . 2]"
1 76 GLU 1.121 0.134 18 0 "[ . 1 . 2]"
1 77 LYS 0.997 0.100 1 0 "[ . 1 . 2]"
1 78 ILE 0.061 0.041 9 0 "[ . 1 . 2]"
2 3 GLU 0.856 0.072 3 0 "[ . 1 . 2]"
2 4 LEU 0.291 0.037 11 0 "[ . 1 . 2]"
2 5 ASN 1.055 0.072 17 0 "[ . 1 . 2]"
2 6 GLU 0.210 0.065 11 0 "[ . 1 . 2]"
2 7 LEU 0.856 0.072 3 0 "[ . 1 . 2]"
2 8 ALA 0.456 0.037 11 0 "[ . 1 . 2]"
2 9 GLU 2.315 0.076 16 0 "[ . 1 . 2]"
2 10 PHE 0.257 0.065 11 0 "[ . 1 . 2]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ARG 0.736 0.048 20 0 "[ . 1 . 2]"
2 13 LEU 1.414 0.076 16 0 "[ . 1 . 2]"
2 14 GLN 4.307 0.201 12 0 "[ . 1 . 2]"
2 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 GLN 3.591 0.192 19 0 "[ . 1 . 2]"
2 17 LEU 0.154 0.032 11 0 "[ . 1 . 2]"
2 18 ASP 4.260 0.201 12 0 "[ . 1 . 2]"
2 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 ARG 3.020 0.192 19 0 "[ . 1 . 2]"
3 11 TYR 0.269 0.053 5 0 "[ . 1 . 2]"
3 12 ALA 0.007 0.007 6 0 "[ . 1 . 2]"
3 13 GLU 1.924 0.107 16 0 "[ . 1 . 2]"
3 14 GLU 0.312 0.057 17 0 "[ . 1 . 2]"
3 15 GLU 0.336 0.053 5 0 "[ . 1 . 2]"
3 16 LEU 0.357 0.053 10 0 "[ . 1 . 2]"
3 17 GLU 5.262 0.131 16 0 "[ . 1 . 2]"
3 18 GLN 0.341 0.057 17 0 "[ . 1 . 2]"
3 19 VAL 0.067 0.046 3 0 "[ . 1 . 2]"
3 20 ARG 3.086 0.163 7 0 "[ . 1 . 2]"
3 21 GLU 4.241 0.131 16 0 "[ . 1 . 2]"
3 22 ALA 0.054 0.028 4 0 "[ . 1 . 2]"
3 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
3 24 ARG 3.855 0.163 7 0 "[ . 1 . 2]"
3 25 LYS 1.005 0.108 14 0 "[ . 1 . 2]"
3 26 ALA 0.026 0.026 20 0 "[ . 1 . 2]"
3 27 GLU 0.018 0.010 19 0 "[ . 1 . 2]"
3 28 LYS 3.896 0.171 5 0 "[ . 1 . 2]"
3 29 GLU 0.236 0.064 12 0 "[ . 1 . 2]"
3 30 LEU 0.033 0.033 18 0 "[ . 1 . 2]"
3 31 GLU 0.018 0.010 19 0 "[ . 1 . 2]"
3 32 SER 2.777 0.171 5 0 "[ . 1 . 2]"
3 33 HIS 0.133 0.064 12 0 "[ . 1 . 2]"
3 34 SER 0.033 0.033 18 0 "[ . 1 . 2]"
3 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
3 40 GLU 0.116 0.038 8 0 "[ . 1 . 2]"
3 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
3 43 GLN 0.227 0.032 6 0 "[ . 1 . 2]"
3 44 LYS 0.119 0.038 8 0 "[ . 1 . 2]"
3 45 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
3 46 LEU 0.037 0.017 11 0 "[ . 1 . 2]"
3 47 GLN 0.264 0.032 6 0 "[ . 1 . 2]"
3 48 LEU 0.239 0.048 14 0 "[ . 1 . 2]"
3 49 THR 0.230 0.037 20 0 "[ . 1 . 2]"
3 50 HIS 0.043 0.017 11 0 "[ . 1 . 2]"
3 51 GLU 0.069 0.031 14 0 "[ . 1 . 2]"
3 52 VAL 0.237 0.048 14 0 "[ . 1 . 2]"
3 53 GLU 2.529 0.113 18 0 "[ . 1 . 2]"
3 54 VAL 0.006 0.006 3 0 "[ . 1 . 2]"
3 55 GLN 0.031 0.031 14 0 "[ . 1 . 2]"
3 56 TYR 0.119 0.033 4 0 "[ . 1 . 2]"
3 57 TYR 2.343 0.113 18 0 "[ . 1 . 2]"
3 58 ASN 0.073 0.029 5 0 "[ . 1 . 2]"
3 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 60 LYS 0.119 0.033 4 0 "[ . 1 . 2]"
3 61 LYS 0.236 0.046 10 0 "[ . 1 . 2]"
3 62 GLN 0.503 0.057 19 0 "[ . 1 . 2]"
3 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 65 GLU 1.341 0.082 11 0 "[ . 1 . 2]"
3 66 LYS 0.464 0.057 19 0 "[ . 1 . 2]"
3 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 68 LEU 0.979 0.095 4 0 "[ . 1 . 2]"
3 69 LEU 1.812 0.082 11 0 "[ . 1 . 2]"
3 70 VAL 0.092 0.035 9 0 "[ . 1 . 2]"
3 71 ALA 0.025 0.025 15 0 "[ . 1 . 2]"
3 72 LYS 2.232 0.146 18 0 "[ . 1 . 2]"
3 73 GLU 1.667 0.114 1 0 "[ . 1 . 2]"
3 74 GLY 0.062 0.032 4 0 "[ . 1 . 2]"
3 75 ALA 0.025 0.025 15 0 "[ . 1 . 2]"
3 76 GLU 1.252 0.146 18 0 "[ . 1 . 2]"
3 77 LYS 1.002 0.114 1 0 "[ . 1 . 2]"
3 78 ILE 0.005 0.005 9 0 "[ . 1 . 2]"
4 3 GLU 0.672 0.075 3 0 "[ . 1 . 2]"
4 4 LEU 0.310 0.035 1 0 "[ . 1 . 2]"
4 5 ASN 1.012 0.058 17 0 "[ . 1 . 2]"
4 6 GLU 0.247 0.073 11 0 "[ . 1 . 2]"
4 7 LEU 0.672 0.075 3 0 "[ . 1 . 2]"
4 8 ALA 0.478 0.035 1 0 "[ . 1 . 2]"
4 9 GLU 2.292 0.078 18 0 "[ . 1 . 2]"
4 10 PHE 0.331 0.073 11 0 "[ . 1 . 2]"
4 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
4 12 ARG 0.608 0.046 19 0 "[ . 1 . 2]"
4 13 LEU 1.448 0.078 18 0 "[ . 1 . 2]"
4 14 GLN 4.336 0.204 6 0 "[ . 1 . 2]"
4 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 16 GLN 3.524 0.190 13 0 "[ . 1 . 2]"
4 17 LEU 0.167 0.033 12 0 "[ . 1 . 2]"
4 18 ASP 4.252 0.204 6 0 "[ . 1 . 2]"
4 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
4 20 ARG 3.084 0.190 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 TYR O 1 15 GLU H 2.000 . 2.000 1.927 1.727 2.048 0.048 5 0 "[ . 1 . 2]" 2
2 1 11 TYR O 1 15 GLU N 3.000 . 3.000 2.896 2.702 3.014 0.014 5 0 "[ . 1 . 2]" 2
3 1 12 ALA O 1 16 LEU H 2.000 . 2.000 1.839 1.714 2.003 0.003 6 0 "[ . 1 . 2]" 2
4 1 12 ALA O 1 16 LEU N 3.000 . 3.000 2.812 2.686 2.975 . 0 0 "[ . 1 . 2]" 2
5 1 13 GLU O 1 17 GLU H 2.000 . 2.000 2.073 2.016 2.109 0.109 7 0 "[ . 1 . 2]" 2
6 1 13 GLU O 1 17 GLU N 3.000 . 3.000 3.028 2.962 3.068 0.068 13 0 "[ . 1 . 2]" 2
7 1 14 GLU O 1 18 GLN H 2.000 . 2.000 1.995 1.755 2.043 0.043 8 0 "[ . 1 . 2]" 2
8 1 14 GLU O 1 18 GLN N 3.000 . 3.000 2.931 2.716 2.985 . 0 0 "[ . 1 . 2]" 2
9 1 15 GLU O 1 19 VAL H 2.000 . 2.000 1.914 1.796 2.046 0.046 3 0 "[ . 1 . 2]" 2
10 1 15 GLU O 1 19 VAL N 3.000 . 3.000 2.834 2.734 2.933 . 0 0 "[ . 1 . 2]" 2
11 1 16 LEU O 1 20 ARG H 2.000 . 2.000 1.992 1.812 2.061 0.061 20 0 "[ . 1 . 2]" 2
12 1 16 LEU O 1 20 ARG N 3.000 . 3.000 2.900 2.715 2.981 . 0 0 "[ . 1 . 2]" 2
13 1 17 GLU O 1 21 GLU H 2.000 . 2.000 2.104 2.070 2.156 0.156 16 0 "[ . 1 . 2]" 2
14 1 17 GLU O 1 21 GLU N 3.000 . 3.000 3.071 3.034 3.116 0.116 16 0 "[ . 1 . 2]" 2
15 1 18 GLN O 1 22 ALA H 2.000 . 2.000 1.821 1.704 2.011 0.011 4 0 "[ . 1 . 2]" 2
16 1 18 GLN O 1 22 ALA N 3.000 . 3.000 2.726 2.635 2.818 . 0 0 "[ . 1 . 2]" 2
17 1 19 VAL O 1 23 LEU H 2.000 . 2.000 1.829 1.698 1.927 . 0 0 "[ . 1 . 2]" 2
18 1 19 VAL O 1 23 LEU N 3.000 . 3.000 2.750 2.649 2.821 . 0 0 "[ . 1 . 2]" 2
19 1 20 ARG O 1 24 ARG H 2.000 . 2.000 2.110 2.058 2.163 0.163 7 0 "[ . 1 . 2]" 2
20 1 20 ARG O 1 24 ARG N 3.000 . 3.000 3.025 2.965 3.084 0.084 7 0 "[ . 1 . 2]" 2
21 1 21 GLU O 1 25 LYS H 2.000 . 2.000 2.037 1.936 2.106 0.106 14 0 "[ . 1 . 2]" 2
22 1 21 GLU O 1 25 LYS N 3.000 . 3.000 2.917 2.819 2.976 . 0 0 "[ . 1 . 2]" 2
23 1 22 ALA O 1 26 ALA H 2.000 . 2.000 1.921 1.803 2.018 0.018 20 0 "[ . 1 . 2]" 2
24 1 22 ALA O 1 26 ALA N 3.000 . 3.000 2.848 2.769 2.946 . 0 0 "[ . 1 . 2]" 2
25 1 23 LEU O 1 27 GLU H 2.000 . 2.000 1.845 1.780 1.965 . 0 0 "[ . 1 . 2]" 2
26 1 23 LEU O 1 27 GLU N 3.000 . 3.000 2.790 2.734 2.892 . 0 0 "[ . 1 . 2]" 2
27 1 24 ARG O 1 28 LYS H 2.000 . 2.000 2.033 1.923 2.081 0.081 13 0 "[ . 1 . 2]" 2
28 1 24 ARG O 1 28 LYS N 3.000 . 3.000 3.004 2.888 3.059 0.059 13 0 "[ . 1 . 2]" 2
29 1 25 LYS O 1 29 GLU H 2.000 . 2.000 1.937 1.805 2.036 0.036 20 0 "[ . 1 . 2]" 2
30 1 25 LYS O 1 29 GLU N 3.000 . 3.000 2.895 2.771 3.007 0.007 20 0 "[ . 1 . 2]" 2
31 1 26 ALA O 1 30 LEU H 2.000 . 2.000 1.858 1.807 1.913 . 0 0 "[ . 1 . 2]" 2
32 1 26 ALA O 1 30 LEU N 3.000 . 3.000 2.730 2.682 2.769 . 0 0 "[ . 1 . 2]" 2
33 1 27 GLU O 1 31 GLU H 2.000 . 2.000 1.907 1.821 2.000 0.000 19 0 "[ . 1 . 2]" 2
34 1 27 GLU O 1 31 GLU N 3.000 . 3.000 2.845 2.760 2.935 . 0 0 "[ . 1 . 2]" 2
35 1 28 LYS O 1 32 SER H 2.000 . 2.000 2.133 2.098 2.172 0.172 13 0 "[ . 1 . 2]" 2
36 1 28 LYS O 1 32 SER N 3.000 . 3.000 2.966 2.862 3.030 0.030 13 0 "[ . 1 . 2]" 2
37 1 29 GLU O 1 33 HIS H 2.000 . 2.000 1.858 1.736 2.064 0.064 12 0 "[ . 1 . 2]" 2
38 1 29 GLU O 1 33 HIS N 3.000 . 3.000 2.742 2.632 2.989 . 0 0 "[ . 1 . 2]" 2
39 1 30 LEU O 1 34 SER H 2.000 . 2.000 1.928 1.848 2.040 0.040 18 0 "[ . 1 . 2]" 2
40 1 30 LEU O 1 34 SER N 3.000 . 3.000 2.792 2.717 2.883 . 0 0 "[ . 1 . 2]" 2
41 1 39 PRO O 1 43 GLN H 2.000 . 2.000 1.847 1.764 1.954 . 0 0 "[ . 1 . 2]" 2
42 1 39 PRO O 1 43 GLN N 3.000 . 3.000 2.789 2.714 2.859 . 0 0 "[ . 1 . 2]" 2
43 1 40 GLU O 1 44 LYS H 2.000 . 2.000 1.922 1.825 2.037 0.037 8 0 "[ . 1 . 2]" 2
44 1 40 GLU O 1 44 LYS N 3.000 . 3.000 2.875 2.762 2.985 . 0 0 "[ . 1 . 2]" 2
45 1 41 ALA O 1 45 TRP H 2.000 . 2.000 1.837 1.764 1.906 . 0 0 "[ . 1 . 2]" 2
46 1 41 ALA O 1 45 TRP N 3.000 . 3.000 2.793 2.733 2.846 . 0 0 "[ . 1 . 2]" 2
47 1 42 LEU O 1 46 LEU H 2.000 . 2.000 1.710 1.660 1.754 . 0 0 "[ . 1 . 2]" 2
48 1 42 LEU O 1 46 LEU N 3.000 . 3.000 2.692 2.645 2.730 . 0 0 "[ . 1 . 2]" 2
49 1 43 GLN O 1 47 GLN H 2.000 . 2.000 1.981 1.865 2.043 0.043 15 0 "[ . 1 . 2]" 2
50 1 43 GLN O 1 47 GLN N 3.000 . 3.000 2.886 2.778 2.966 . 0 0 "[ . 1 . 2]" 2
51 1 44 LYS O 1 48 LEU H 2.000 . 2.000 1.866 1.750 2.009 0.009 11 0 "[ . 1 . 2]" 2
52 1 44 LYS O 1 48 LEU N 3.000 . 3.000 2.785 2.662 2.919 . 0 0 "[ . 1 . 2]" 2
53 1 45 TRP O 1 49 THR H 2.000 . 2.000 1.802 1.738 1.865 . 0 0 "[ . 1 . 2]" 2
54 1 45 TRP O 1 49 THR N 3.000 . 3.000 2.766 2.705 2.826 . 0 0 "[ . 1 . 2]" 2
55 1 46 LEU O 1 50 HIS H 2.000 . 2.000 1.933 1.800 2.010 0.010 11 0 "[ . 1 . 2]" 2
56 1 46 LEU O 1 50 HIS N 3.000 . 3.000 2.888 2.744 2.985 . 0 0 "[ . 1 . 2]" 2
57 1 47 GLN O 1 51 GLU H 2.000 . 2.000 1.944 1.785 2.035 0.035 9 0 "[ . 1 . 2]" 2
58 1 47 GLN O 1 51 GLU N 3.000 . 3.000 2.816 2.666 2.893 . 0 0 "[ . 1 . 2]" 2
59 1 48 LEU O 1 52 VAL H 2.000 . 2.000 1.992 1.882 2.049 0.049 14 0 "[ . 1 . 2]" 2
60 1 48 LEU O 1 52 VAL N 3.000 . 3.000 2.954 2.847 3.004 0.004 14 0 "[ . 1 . 2]" 2
61 1 49 THR O 1 53 GLU H 2.000 . 2.000 1.971 1.838 2.031 0.031 20 0 "[ . 1 . 2]" 2
62 1 49 THR O 1 53 GLU N 3.000 . 3.000 2.869 2.730 2.960 . 0 0 "[ . 1 . 2]" 2
63 1 50 HIS O 1 54 VAL H 2.000 . 2.000 1.873 1.787 1.959 . 0 0 "[ . 1 . 2]" 2
64 1 50 HIS O 1 54 VAL N 3.000 . 3.000 2.852 2.766 2.930 . 0 0 "[ . 1 . 2]" 2
65 1 51 GLU O 1 55 GLN H 2.000 . 2.000 1.895 1.751 2.015 0.015 14 0 "[ . 1 . 2]" 2
66 1 51 GLU O 1 55 GLN N 3.000 . 3.000 2.778 2.664 2.901 . 0 0 "[ . 1 . 2]" 2
67 1 52 VAL O 1 56 TYR H 2.000 . 2.000 1.790 1.719 1.866 . 0 0 "[ . 1 . 2]" 2
68 1 52 VAL O 1 56 TYR N 3.000 . 3.000 2.772 2.706 2.844 . 0 0 "[ . 1 . 2]" 2
69 1 53 GLU O 1 57 TYR H 2.000 . 2.000 2.088 2.047 2.117 0.117 18 0 "[ . 1 . 2]" 2
70 1 53 GLU O 1 57 TYR N 3.000 . 3.000 3.026 2.975 3.052 0.052 18 0 "[ . 1 . 2]" 2
71 1 54 VAL O 1 58 ASN H 2.000 . 2.000 1.868 1.814 1.983 . 0 0 "[ . 1 . 2]" 2
72 1 54 VAL O 1 58 ASN N 3.000 . 3.000 2.814 2.745 2.921 . 0 0 "[ . 1 . 2]" 2
73 1 55 GLN O 1 59 ILE H 2.000 . 2.000 1.896 1.839 1.966 . 0 0 "[ . 1 . 2]" 2
74 1 55 GLN O 1 59 ILE N 3.000 . 3.000 2.842 2.784 2.912 . 0 0 "[ . 1 . 2]" 2
75 1 56 TYR O 1 60 LYS H 2.000 . 2.000 1.943 1.815 2.055 0.055 12 0 "[ . 1 . 2]" 2
76 1 56 TYR O 1 60 LYS N 3.000 . 3.000 2.918 2.789 3.029 0.029 12 0 "[ . 1 . 2]" 2
77 1 57 TYR O 1 61 LYS H 2.000 . 2.000 1.943 1.844 2.001 0.001 3 0 "[ . 1 . 2]" 2
78 1 57 TYR O 1 61 LYS N 3.000 . 3.000 2.840 2.760 2.892 . 0 0 "[ . 1 . 2]" 2
79 1 58 ASN O 1 62 GLN H 2.000 . 2.000 1.877 1.772 2.040 0.040 5 0 "[ . 1 . 2]" 2
80 1 58 ASN O 1 62 GLN N 3.000 . 3.000 2.834 2.743 2.990 . 0 0 "[ . 1 . 2]" 2
81 1 59 ILE O 1 63 ASN H 2.000 . 2.000 1.840 1.744 1.972 . 0 0 "[ . 1 . 2]" 2
82 1 59 ILE O 1 63 ASN N 3.000 . 3.000 2.809 2.724 2.941 . 0 0 "[ . 1 . 2]" 2
83 1 60 LYS O 1 64 ALA H 2.000 . 2.000 1.737 1.687 1.793 . 0 0 "[ . 1 . 2]" 2
84 1 60 LYS O 1 64 ALA N 3.000 . 3.000 2.666 2.623 2.724 . 0 0 "[ . 1 . 2]" 2
85 1 61 LYS O 1 65 GLU H 2.000 . 2.000 1.949 1.799 2.038 0.038 10 0 "[ . 1 . 2]" 2
86 1 61 LYS O 1 65 GLU N 3.000 . 3.000 2.918 2.779 3.006 0.006 4 0 "[ . 1 . 2]" 2
87 1 62 GLN O 1 66 LYS H 2.000 . 2.000 2.003 1.887 2.062 0.062 19 0 "[ . 1 . 2]" 2
88 1 62 GLN O 1 66 LYS N 3.000 . 3.000 2.931 2.806 3.006 0.006 18 0 "[ . 1 . 2]" 2
89 1 63 ASN O 1 67 GLN H 2.000 . 2.000 1.736 1.643 1.954 . 0 0 "[ . 1 . 2]" 2
90 1 63 ASN O 1 67 GLN N 3.000 . 3.000 2.701 2.618 2.907 . 0 0 "[ . 1 . 2]" 2
91 1 64 ALA O 1 68 LEU H 2.000 . 2.000 1.792 1.737 1.898 . 0 0 "[ . 1 . 2]" 2
92 1 64 ALA O 1 68 LEU N 3.000 . 3.000 2.745 2.680 2.842 . 0 0 "[ . 1 . 2]" 2
93 1 65 GLU O 1 69 LEU H 2.000 . 2.000 2.050 1.994 2.093 0.093 8 0 "[ . 1 . 2]" 2
94 1 65 GLU O 1 69 LEU N 3.000 . 3.000 2.993 2.932 3.035 0.035 10 0 "[ . 1 . 2]" 2
95 1 66 LYS O 1 70 VAL H 2.000 . 2.000 1.841 1.716 2.029 0.029 9 0 "[ . 1 . 2]" 2
96 1 66 LYS O 1 70 VAL N 3.000 . 3.000 2.805 2.691 2.967 . 0 0 "[ . 1 . 2]" 2
97 1 67 GLN O 1 71 ALA H 2.000 . 2.000 1.802 1.691 1.937 . 0 0 "[ . 1 . 2]" 2
98 1 67 GLN O 1 71 ALA N 3.000 . 3.000 2.744 2.645 2.824 . 0 0 "[ . 1 . 2]" 2
99 1 68 LEU O 1 72 LYS H 2.000 . 2.000 2.046 2.003 2.094 0.094 10 0 "[ . 1 . 2]" 2
100 1 68 LEU O 1 72 LYS N 3.000 . 3.000 2.945 2.886 2.983 . 0 0 "[ . 1 . 2]" 2
101 1 69 LEU O 1 73 GLU H 2.000 . 2.000 2.016 1.904 2.072 0.072 2 0 "[ . 1 . 2]" 2
102 1 69 LEU O 1 73 GLU N 3.000 . 3.000 2.987 2.869 3.045 0.045 18 0 "[ . 1 . 2]" 2
103 1 70 VAL O 1 74 GLY H 2.000 . 2.000 1.917 1.779 2.012 0.012 8 0 "[ . 1 . 2]" 2
104 1 70 VAL O 1 74 GLY N 3.000 . 3.000 2.856 2.749 2.942 . 0 0 "[ . 1 . 2]" 2
105 1 71 ALA O 1 75 ALA H 2.000 . 2.000 1.894 1.803 2.013 0.013 15 0 "[ . 1 . 2]" 2
106 1 71 ALA O 1 75 ALA N 3.000 . 3.000 2.807 2.739 2.960 . 0 0 "[ . 1 . 2]" 2
107 1 72 LYS O 1 76 GLU H 2.000 . 2.000 2.052 1.971 2.134 0.134 18 0 "[ . 1 . 2]" 2
108 1 72 LYS O 1 76 GLU N 3.000 . 3.000 2.954 2.902 3.019 0.019 10 0 "[ . 1 . 2]" 2
109 1 73 GLU O 1 77 LYS H 2.000 . 2.000 2.048 1.972 2.100 0.100 1 0 "[ . 1 . 2]" 2
110 1 73 GLU O 1 77 LYS N 3.000 . 3.000 2.918 2.823 3.008 0.008 11 0 "[ . 1 . 2]" 2
111 1 74 GLY O 1 78 ILE H 2.000 . 2.000 1.795 1.666 2.041 0.041 9 0 "[ . 1 . 2]" 2
112 1 74 GLY O 1 78 ILE N 3.000 . 3.000 2.751 2.632 2.965 . 0 0 "[ . 1 . 2]" 2
113 3 11 TYR O 3 15 GLU H 2.000 . 2.000 1.942 1.713 2.053 0.053 5 0 "[ . 1 . 2]" 2
114 3 11 TYR O 3 15 GLU N 3.000 . 3.000 2.911 2.685 3.020 0.020 5 0 "[ . 1 . 2]" 2
115 3 12 ALA O 3 16 LEU H 2.000 . 2.000 1.826 1.704 2.007 0.007 6 0 "[ . 1 . 2]" 2
116 3 12 ALA O 3 16 LEU N 3.000 . 3.000 2.799 2.680 2.982 . 0 0 "[ . 1 . 2]" 2
117 3 13 GLU O 3 17 GLU H 2.000 . 2.000 2.071 2.041 2.107 0.107 16 0 "[ . 1 . 2]" 2
118 3 13 GLU O 3 17 GLU N 3.000 . 3.000 3.024 2.986 3.067 0.067 16 0 "[ . 1 . 2]" 2
119 3 14 GLU O 3 18 GLN H 2.000 . 2.000 1.984 1.785 2.057 0.057 17 0 "[ . 1 . 2]" 2
120 3 14 GLU O 3 18 GLN N 3.000 . 3.000 2.921 2.736 3.000 0.000 4 0 "[ . 1 . 2]" 2
121 3 15 GLU O 3 19 VAL H 2.000 . 2.000 1.910 1.812 2.046 0.046 3 0 "[ . 1 . 2]" 2
122 3 15 GLU O 3 19 VAL N 3.000 . 3.000 2.832 2.742 2.947 . 0 0 "[ . 1 . 2]" 2
123 3 16 LEU O 3 20 ARG H 2.000 . 2.000 1.991 1.830 2.053 0.053 10 0 "[ . 1 . 2]" 2
124 3 16 LEU O 3 20 ARG N 3.000 . 3.000 2.900 2.733 2.971 . 0 0 "[ . 1 . 2]" 2
125 3 17 GLU O 3 21 GLU H 2.000 . 2.000 2.100 2.076 2.131 0.131 16 0 "[ . 1 . 2]" 2
126 3 17 GLU O 3 21 GLU N 3.000 . 3.000 3.067 3.030 3.094 0.094 16 0 "[ . 1 . 2]" 2
127 3 18 GLN O 3 22 ALA H 2.000 . 2.000 1.819 1.674 2.028 0.028 4 0 "[ . 1 . 2]" 2
128 3 18 GLN O 3 22 ALA N 3.000 . 3.000 2.725 2.613 2.826 . 0 0 "[ . 1 . 2]" 2
129 3 19 VAL O 3 23 LEU H 2.000 . 2.000 1.836 1.705 1.940 . 0 0 "[ . 1 . 2]" 2
130 3 19 VAL O 3 23 LEU N 3.000 . 3.000 2.756 2.657 2.830 . 0 0 "[ . 1 . 2]" 2
131 3 20 ARG O 3 24 ARG H 2.000 . 2.000 2.110 2.038 2.163 0.163 7 0 "[ . 1 . 2]" 2
132 3 20 ARG O 3 24 ARG N 3.000 . 3.000 3.023 2.941 3.086 0.086 7 0 "[ . 1 . 2]" 2
133 3 21 GLU O 3 25 LYS H 2.000 . 2.000 2.043 1.963 2.108 0.108 14 0 "[ . 1 . 2]" 2
134 3 21 GLU O 3 25 LYS N 3.000 . 3.000 2.919 2.851 2.997 . 0 0 "[ . 1 . 2]" 2
135 3 22 ALA O 3 26 ALA H 2.000 . 2.000 1.914 1.796 2.026 0.026 20 0 "[ . 1 . 2]" 2
136 3 22 ALA O 3 26 ALA N 3.000 . 3.000 2.839 2.721 2.950 . 0 0 "[ . 1 . 2]" 2
137 3 23 LEU O 3 27 GLU H 2.000 . 2.000 1.834 1.773 1.948 . 0 0 "[ . 1 . 2]" 2
138 3 23 LEU O 3 27 GLU N 3.000 . 3.000 2.780 2.729 2.879 . 0 0 "[ . 1 . 2]" 2
139 3 24 ARG O 3 28 LYS H 2.000 . 2.000 2.037 1.958 2.078 0.078 7 0 "[ . 1 . 2]" 2
140 3 24 ARG O 3 28 LYS N 3.000 . 3.000 3.009 2.923 3.053 0.053 13 0 "[ . 1 . 2]" 2
141 3 25 LYS O 3 29 GLU H 2.000 . 2.000 1.930 1.789 2.038 0.038 20 0 "[ . 1 . 2]" 2
142 3 25 LYS O 3 29 GLU N 3.000 . 3.000 2.890 2.746 3.009 0.009 20 0 "[ . 1 . 2]" 2
143 3 26 ALA O 3 30 LEU H 2.000 . 2.000 1.862 1.777 1.953 . 0 0 "[ . 1 . 2]" 2
144 3 26 ALA O 3 30 LEU N 3.000 . 3.000 2.738 2.670 2.799 . 0 0 "[ . 1 . 2]" 2
145 3 27 GLU O 3 31 GLU H 2.000 . 2.000 1.927 1.831 2.010 0.010 19 0 "[ . 1 . 2]" 2
146 3 27 GLU O 3 31 GLU N 3.000 . 3.000 2.854 2.765 2.949 . 0 0 "[ . 1 . 2]" 2
147 3 28 LYS O 3 32 SER H 2.000 . 2.000 2.134 2.095 2.171 0.171 5 0 "[ . 1 . 2]" 2
148 3 28 LYS O 3 32 SER N 3.000 . 3.000 2.972 2.889 3.033 0.033 13 0 "[ . 1 . 2]" 2
149 3 29 GLU O 3 33 HIS H 2.000 . 2.000 1.871 1.754 2.064 0.064 12 0 "[ . 1 . 2]" 2
150 3 29 GLU O 3 33 HIS N 3.000 . 3.000 2.750 2.658 2.978 . 0 0 "[ . 1 . 2]" 2
151 3 30 LEU O 3 34 SER H 2.000 . 2.000 1.928 1.847 2.033 0.033 18 0 "[ . 1 . 2]" 2
152 3 30 LEU O 3 34 SER N 3.000 . 3.000 2.790 2.713 2.863 . 0 0 "[ . 1 . 2]" 2
153 3 39 PRO O 3 43 GLN H 2.000 . 2.000 1.842 1.786 1.900 . 0 0 "[ . 1 . 2]" 2
154 3 39 PRO O 3 43 GLN N 3.000 . 3.000 2.784 2.734 2.842 . 0 0 "[ . 1 . 2]" 2
155 3 40 GLU O 3 44 LYS H 2.000 . 2.000 1.950 1.844 2.038 0.038 8 0 "[ . 1 . 2]" 2
156 3 40 GLU O 3 44 LYS N 3.000 . 3.000 2.897 2.791 2.996 . 0 0 "[ . 1 . 2]" 2
157 3 41 ALA O 3 45 TRP H 2.000 . 2.000 1.840 1.785 1.941 . 0 0 "[ . 1 . 2]" 2
158 3 41 ALA O 3 45 TRP N 3.000 . 3.000 2.796 2.749 2.868 . 0 0 "[ . 1 . 2]" 2
159 3 42 LEU O 3 46 LEU H 2.000 . 2.000 1.701 1.652 1.739 . 0 0 "[ . 1 . 2]" 2
160 3 42 LEU O 3 46 LEU N 3.000 . 3.000 2.687 2.635 2.727 . 0 0 "[ . 1 . 2]" 2
161 3 43 GLN O 3 47 GLN H 2.000 . 2.000 1.997 1.900 2.032 0.032 6 0 "[ . 1 . 2]" 2
162 3 43 GLN O 3 47 GLN N 3.000 . 3.000 2.896 2.814 2.960 . 0 0 "[ . 1 . 2]" 2
163 3 44 LYS O 3 48 LEU H 2.000 . 2.000 1.864 1.746 2.002 0.002 3 0 "[ . 1 . 2]" 2
164 3 44 LYS O 3 48 LEU N 3.000 . 3.000 2.781 2.657 2.910 . 0 0 "[ . 1 . 2]" 2
165 3 45 TRP O 3 49 THR H 2.000 . 2.000 1.811 1.743 1.883 . 0 0 "[ . 1 . 2]" 2
166 3 45 TRP O 3 49 THR N 3.000 . 3.000 2.776 2.713 2.840 . 0 0 "[ . 1 . 2]" 2
167 3 46 LEU O 3 50 HIS H 2.000 . 2.000 1.946 1.832 2.017 0.017 11 0 "[ . 1 . 2]" 2
168 3 46 LEU O 3 50 HIS N 3.000 . 3.000 2.899 2.772 2.991 . 0 0 "[ . 1 . 2]" 2
169 3 47 GLN O 3 51 GLU H 2.000 . 2.000 1.957 1.828 2.024 0.024 3 0 "[ . 1 . 2]" 2
170 3 47 GLN O 3 51 GLU N 3.000 . 3.000 2.823 2.721 2.907 . 0 0 "[ . 1 . 2]" 2
171 3 48 LEU O 3 52 VAL H 2.000 . 2.000 1.993 1.857 2.048 0.048 14 0 "[ . 1 . 2]" 2
172 3 48 LEU O 3 52 VAL N 3.000 . 3.000 2.954 2.829 3.006 0.006 14 0 "[ . 1 . 2]" 2
173 3 49 THR O 3 53 GLU H 2.000 . 2.000 1.975 1.849 2.037 0.037 20 0 "[ . 1 . 2]" 2
174 3 49 THR O 3 53 GLU N 3.000 . 3.000 2.871 2.735 2.963 . 0 0 "[ . 1 . 2]" 2
175 3 50 HIS O 3 54 VAL H 2.000 . 2.000 1.869 1.793 2.006 0.006 3 0 "[ . 1 . 2]" 2
176 3 50 HIS O 3 54 VAL N 3.000 . 3.000 2.848 2.769 2.974 . 0 0 "[ . 1 . 2]" 2
177 3 51 GLU O 3 55 GLN H 2.000 . 2.000 1.891 1.697 2.031 0.031 14 0 "[ . 1 . 2]" 2
178 3 51 GLU O 3 55 GLN N 3.000 . 3.000 2.779 2.630 2.924 . 0 0 "[ . 1 . 2]" 2
179 3 52 VAL O 3 56 TYR H 2.000 . 2.000 1.793 1.720 1.872 . 0 0 "[ . 1 . 2]" 2
180 3 52 VAL O 3 56 TYR N 3.000 . 3.000 2.775 2.705 2.845 . 0 0 "[ . 1 . 2]" 2
181 3 53 GLU O 3 57 TYR H 2.000 . 2.000 2.089 2.037 2.113 0.113 18 0 "[ . 1 . 2]" 2
182 3 53 GLU O 3 57 TYR N 3.000 . 3.000 3.024 2.964 3.045 0.045 8 0 "[ . 1 . 2]" 2
183 3 54 VAL O 3 58 ASN H 2.000 . 2.000 1.857 1.789 1.959 . 0 0 "[ . 1 . 2]" 2
184 3 54 VAL O 3 58 ASN N 3.000 . 3.000 2.804 2.725 2.893 . 0 0 "[ . 1 . 2]" 2
185 3 55 GLN O 3 59 ILE H 2.000 . 2.000 1.884 1.820 1.970 . 0 0 "[ . 1 . 2]" 2
186 3 55 GLN O 3 59 ILE N 3.000 . 3.000 2.830 2.763 2.919 . 0 0 "[ . 1 . 2]" 2
187 3 56 TYR O 3 60 LYS H 2.000 . 2.000 1.951 1.815 2.033 0.033 4 0 "[ . 1 . 2]" 2
188 3 56 TYR O 3 60 LYS N 3.000 . 3.000 2.925 2.790 3.008 0.008 4 0 "[ . 1 . 2]" 2
189 3 57 TYR O 3 61 LYS H 2.000 . 2.000 1.938 1.877 2.016 0.016 5 0 "[ . 1 . 2]" 2
190 3 57 TYR O 3 61 LYS N 3.000 . 3.000 2.835 2.752 2.918 . 0 0 "[ . 1 . 2]" 2
191 3 58 ASN O 3 62 GLN H 2.000 . 2.000 1.880 1.781 2.029 0.029 5 0 "[ . 1 . 2]" 2
192 3 58 ASN O 3 62 GLN N 3.000 . 3.000 2.837 2.752 2.959 . 0 0 "[ . 1 . 2]" 2
193 3 59 ILE O 3 63 ASN H 2.000 . 2.000 1.853 1.757 1.986 . 0 0 "[ . 1 . 2]" 2
194 3 59 ILE O 3 63 ASN N 3.000 . 3.000 2.819 2.734 2.960 . 0 0 "[ . 1 . 2]" 2
195 3 60 LYS O 3 64 ALA H 2.000 . 2.000 1.737 1.677 1.801 . 0 0 "[ . 1 . 2]" 2
196 3 60 LYS O 3 64 ALA N 3.000 . 3.000 2.666 2.614 2.735 . 0 0 "[ . 1 . 2]" 2
197 3 61 LYS O 3 65 GLU H 2.000 . 2.000 1.959 1.812 2.046 0.046 10 0 "[ . 1 . 2]" 2
198 3 61 LYS O 3 65 GLU N 3.000 . 3.000 2.929 2.790 3.003 0.003 4 0 "[ . 1 . 2]" 2
199 3 62 GLN O 3 66 LYS H 2.000 . 2.000 2.004 1.895 2.057 0.057 19 0 "[ . 1 . 2]" 2
200 3 62 GLN O 3 66 LYS N 3.000 . 3.000 2.936 2.820 3.021 0.021 8 0 "[ . 1 . 2]" 2
201 3 63 ASN O 3 67 GLN H 2.000 . 2.000 1.737 1.629 1.963 . 0 0 "[ . 1 . 2]" 2
202 3 63 ASN O 3 67 GLN N 3.000 . 3.000 2.702 2.611 2.910 . 0 0 "[ . 1 . 2]" 2
203 3 64 ALA O 3 68 LEU H 2.000 . 2.000 1.801 1.724 1.911 . 0 0 "[ . 1 . 2]" 2
204 3 64 ALA O 3 68 LEU N 3.000 . 3.000 2.755 2.679 2.871 . 0 0 "[ . 1 . 2]" 2
205 3 65 GLU O 3 69 LEU H 2.000 . 2.000 2.050 2.009 2.082 0.082 11 0 "[ . 1 . 2]" 2
206 3 65 GLU O 3 69 LEU N 3.000 . 3.000 2.995 2.956 3.024 0.024 1 0 "[ . 1 . 2]" 2
207 3 66 LYS O 3 70 VAL H 2.000 . 2.000 1.841 1.736 2.035 0.035 9 0 "[ . 1 . 2]" 2
208 3 66 LYS O 3 70 VAL N 3.000 . 3.000 2.805 2.708 2.984 . 0 0 "[ . 1 . 2]" 2
209 3 67 GLN O 3 71 ALA H 2.000 . 2.000 1.791 1.725 1.922 . 0 0 "[ . 1 . 2]" 2
210 3 67 GLN O 3 71 ALA N 3.000 . 3.000 2.735 2.673 2.862 . 0 0 "[ . 1 . 2]" 2
211 3 68 LEU O 3 72 LYS H 2.000 . 2.000 2.047 1.973 2.095 0.095 4 0 "[ . 1 . 2]" 2
212 3 68 LEU O 3 72 LYS N 3.000 . 3.000 2.948 2.870 3.011 0.011 20 0 "[ . 1 . 2]" 2
213 3 69 LEU O 3 73 GLU H 2.000 . 2.000 2.020 1.940 2.059 0.059 18 0 "[ . 1 . 2]" 2
214 3 69 LEU O 3 73 GLU N 3.000 . 3.000 2.991 2.919 3.041 0.041 18 0 "[ . 1 . 2]" 2
215 3 70 VAL O 3 74 GLY H 2.000 . 2.000 1.928 1.826 2.032 0.032 4 0 "[ . 1 . 2]" 2
216 3 70 VAL O 3 74 GLY N 3.000 . 3.000 2.870 2.760 2.979 . 0 0 "[ . 1 . 2]" 2
217 3 71 ALA O 3 75 ALA H 2.000 . 2.000 1.889 1.786 2.025 0.025 15 0 "[ . 1 . 2]" 2
218 3 71 ALA O 3 75 ALA N 3.000 . 3.000 2.803 2.709 2.966 . 0 0 "[ . 1 . 2]" 2
219 3 72 LYS O 3 76 GLU H 2.000 . 2.000 2.060 2.005 2.146 0.146 18 0 "[ . 1 . 2]" 2
220 3 72 LYS O 3 76 GLU N 3.000 . 3.000 2.958 2.897 3.018 0.018 10 0 "[ . 1 . 2]" 2
221 3 73 GLU O 3 77 LYS H 2.000 . 2.000 2.047 1.943 2.114 0.114 1 0 "[ . 1 . 2]" 2
222 3 73 GLU O 3 77 LYS N 3.000 . 3.000 2.925 2.810 2.995 . 0 0 "[ . 1 . 2]" 2
223 3 74 GLY O 3 78 ILE H 2.000 . 2.000 1.790 1.664 2.005 0.005 9 0 "[ . 1 . 2]" 2
224 3 74 GLY O 3 78 ILE N 3.000 . 3.000 2.744 2.632 2.915 . 0 0 "[ . 1 . 2]" 2
225 2 3 GLU O 2 7 LEU H 2.000 . 2.000 2.034 1.902 2.072 0.072 3 0 "[ . 1 . 2]" 2
226 2 3 GLU O 2 7 LEU N 3.000 . 3.000 2.972 2.844 3.014 0.014 1 0 "[ . 1 . 2]" 2
227 2 4 LEU O 2 8 ALA H 2.000 . 2.000 2.008 1.945 2.037 0.037 11 0 "[ . 1 . 2]" 2
228 2 4 LEU O 2 8 ALA N 3.000 . 3.000 2.786 2.750 2.820 . 0 0 "[ . 1 . 2]" 2
229 2 5 ASN O 2 9 GLU H 2.000 . 2.000 2.042 2.006 2.072 0.072 17 0 "[ . 1 . 2]" 2
230 2 5 ASN O 2 9 GLU N 3.000 . 3.000 3.006 2.970 3.028 0.028 17 0 "[ . 1 . 2]" 2
231 2 6 GLU O 2 10 PHE H 2.000 . 2.000 1.977 1.890 2.065 0.065 11 0 "[ . 1 . 2]" 2
232 2 6 GLU O 2 10 PHE N 3.000 . 3.000 2.900 2.819 2.962 . 0 0 "[ . 1 . 2]" 2
233 2 7 LEU O 2 11 ALA H 2.000 . 2.000 1.863 1.805 1.983 . 0 0 "[ . 1 . 2]" 2
234 2 7 LEU O 2 11 ALA N 3.000 . 3.000 2.793 2.736 2.906 . 0 0 "[ . 1 . 2]" 2
235 2 8 ALA O 2 12 ARG H 2.000 . 2.000 1.990 1.892 2.027 0.027 12 0 "[ . 1 . 2]" 2
236 2 8 ALA O 2 12 ARG N 3.000 . 3.000 2.899 2.821 2.939 . 0 0 "[ . 1 . 2]" 2
237 2 9 GLU O 2 13 LEU H 2.000 . 2.000 2.056 2.034 2.076 0.076 16 0 "[ . 1 . 2]" 2
238 2 9 GLU O 2 13 LEU N 3.000 . 3.000 3.004 2.980 3.026 0.026 16 0 "[ . 1 . 2]" 2
239 2 10 PHE O 2 14 GLN H 2.000 . 2.000 1.947 1.859 2.019 0.019 17 0 "[ . 1 . 2]" 2
240 2 10 PHE O 2 14 GLN N 3.000 . 3.000 2.890 2.799 2.973 . 0 0 "[ . 1 . 2]" 2
241 2 11 ALA O 2 15 ASP H 2.000 . 2.000 1.717 1.661 1.780 . 0 0 "[ . 1 . 2]" 2
242 2 11 ALA O 2 15 ASP N 3.000 . 3.000 2.682 2.632 2.744 . 0 0 "[ . 1 . 2]" 2
243 2 12 ARG O 2 16 GLN H 2.000 . 2.000 2.007 1.916 2.048 0.048 20 0 "[ . 1 . 2]" 2
244 2 12 ARG O 2 16 GLN N 3.000 . 3.000 2.968 2.872 3.026 0.026 10 0 "[ . 1 . 2]" 2
245 2 13 LEU O 2 17 LEU H 2.000 . 2.000 1.977 1.825 2.032 0.032 11 0 "[ . 1 . 2]" 2
246 2 13 LEU O 2 17 LEU N 3.000 . 3.000 2.781 2.725 2.833 . 0 0 "[ . 1 . 2]" 2
247 2 14 GLN O 2 18 ASP H 2.000 . 2.000 2.172 2.137 2.201 0.201 12 0 "[ . 1 . 2]" 2
248 2 14 GLN O 2 18 ASP N 3.000 . 3.000 3.039 2.963 3.075 0.075 12 0 "[ . 1 . 2]" 2
249 2 15 ASP O 2 19 HIS H 2.000 . 2.000 1.618 1.588 1.668 . 0 0 "[ . 1 . 2]" 2
250 2 15 ASP O 2 19 HIS N 3.000 . 3.000 2.574 2.544 2.602 . 0 0 "[ . 1 . 2]" 2
251 2 16 GLN O 2 20 ARG H 2.000 . 2.000 2.151 2.103 2.192 0.192 19 0 "[ . 1 . 2]" 2
252 2 16 GLN O 2 20 ARG N 3.000 . 3.000 2.695 2.653 2.765 . 0 0 "[ . 1 . 2]" 2
253 4 3 GLU O 4 7 LEU H 2.000 . 2.000 2.024 1.917 2.075 0.075 3 0 "[ . 1 . 2]" 2
254 4 3 GLU O 4 7 LEU N 3.000 . 3.000 2.961 2.848 3.020 0.020 15 0 "[ . 1 . 2]" 2
255 4 4 LEU O 4 8 ALA H 2.000 . 2.000 2.011 1.938 2.035 0.035 1 0 "[ . 1 . 2]" 2
256 4 4 LEU O 4 8 ALA N 3.000 . 3.000 2.787 2.751 2.821 . 0 0 "[ . 1 . 2]" 2
257 4 5 ASN O 4 9 GLU H 2.000 . 2.000 2.042 2.006 2.058 0.058 17 0 "[ . 1 . 2]" 2
258 4 5 ASN O 4 9 GLU N 3.000 . 3.000 3.006 2.970 3.025 0.025 4 0 "[ . 1 . 2]" 2
259 4 6 GLU O 4 10 PHE H 2.000 . 2.000 1.982 1.903 2.073 0.073 11 0 "[ . 1 . 2]" 2
260 4 6 GLU O 4 10 PHE N 3.000 . 3.000 2.901 2.821 2.967 . 0 0 "[ . 1 . 2]" 2
261 4 7 LEU O 4 11 ALA H 2.000 . 2.000 1.865 1.785 1.971 . 0 0 "[ . 1 . 2]" 2
262 4 7 LEU O 4 11 ALA N 3.000 . 3.000 2.793 2.729 2.877 . 0 0 "[ . 1 . 2]" 2
263 4 8 ALA O 4 12 ARG H 2.000 . 2.000 1.986 1.887 2.026 0.026 5 0 "[ . 1 . 2]" 2
264 4 8 ALA O 4 12 ARG N 3.000 . 3.000 2.898 2.810 2.959 . 0 0 "[ . 1 . 2]" 2
265 4 9 GLU O 4 13 LEU H 2.000 . 2.000 2.056 2.028 2.078 0.078 18 0 "[ . 1 . 2]" 2
266 4 9 GLU O 4 13 LEU N 3.000 . 3.000 3.004 2.970 3.038 0.038 10 0 "[ . 1 . 2]" 2
267 4 10 PHE O 4 14 GLN H 2.000 . 2.000 1.958 1.869 2.041 0.041 17 0 "[ . 1 . 2]" 2
268 4 10 PHE O 4 14 GLN N 3.000 . 3.000 2.901 2.827 3.001 0.001 17 0 "[ . 1 . 2]" 2
269 4 11 ALA O 4 15 ASP H 2.000 . 2.000 1.715 1.678 1.757 . 0 0 "[ . 1 . 2]" 2
270 4 11 ALA O 4 15 ASP N 3.000 . 3.000 2.679 2.644 2.718 . 0 0 "[ . 1 . 2]" 2
271 4 12 ARG O 4 16 GLN H 2.000 . 2.000 2.001 1.880 2.046 0.046 19 0 "[ . 1 . 2]" 2
272 4 12 ARG O 4 16 GLN N 3.000 . 3.000 2.963 2.840 3.023 0.023 10 0 "[ . 1 . 2]" 2
273 4 13 LEU O 4 17 LEU H 2.000 . 2.000 1.973 1.815 2.033 0.033 12 0 "[ . 1 . 2]" 2
274 4 13 LEU O 4 17 LEU N 3.000 . 3.000 2.778 2.720 2.834 . 0 0 "[ . 1 . 2]" 2
275 4 14 GLN O 4 18 ASP H 2.000 . 2.000 2.172 2.128 2.204 0.204 6 0 "[ . 1 . 2]" 2
276 4 14 GLN O 4 18 ASP N 3.000 . 3.000 3.037 2.944 3.085 0.085 5 0 "[ . 1 . 2]" 2
277 4 15 ASP O 4 19 HIS H 2.000 . 2.000 1.623 1.593 1.681 . 0 0 "[ . 1 . 2]" 2
278 4 15 ASP O 4 19 HIS N 3.000 . 3.000 2.580 2.558 2.618 . 0 0 "[ . 1 . 2]" 2
279 4 16 GLN O 4 20 ARG H 2.000 . 2.000 2.154 2.110 2.190 0.190 13 0 "[ . 1 . 2]" 2
280 4 16 GLN O 4 20 ARG N 3.000 . 3.000 2.697 2.662 2.773 . 0 0 "[ . 1 . 2]" 2
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