NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376408 |
1fi6   |
4778 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fi6
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 5
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 1.642
_Distance_constraint_stats_list.Viol_max 0.055
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0547
_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 53 ASP 0.055 0.055 27 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 1 CA 0.055 0.055 27 0 "[ . 1 . 2 . 3]"
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 53 ASP OD1 2 1 CA CA 2.700 . 2.800 2.137 2.037 2.855 0.055 27 0 "[ . 1 . 2 . 3]" 1
2 1 55 ASP OD1 2 1 CA CA 2.700 . 2.800 2.274 2.169 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 57 ASP OD1 2 1 CA CA 2.700 . 2.800 2.174 2.088 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 59 ALA O 2 1 CA CA 2.700 . 2.800 2.295 2.165 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 64 GLU OE2 2 1 CA CA 2.700 . 2.800 2.228 2.065 2.772 . 0 0 "[ . 1 . 2 . 3]" 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 1054
_Distance_constraint_stats_list.Viol_count 1916
_Distance_constraint_stats_list.Viol_total 3944.587
_Distance_constraint_stats_list.Viol_max 0.396
_Distance_constraint_stats_list.Viol_rms 0.0208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0686
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 TRP 1.580 0.114 6 0 "[ . 1 . 2 . 3]"
1 2 LYS 0.138 0.087 10 0 "[ . 1 . 2 . 3]"
1 3 ILE 3.095 0.168 9 0 "[ . 1 . 2 . 3]"
1 4 THR 4.159 0.166 27 0 "[ . 1 . 2 . 3]"
1 5 ASP 0.602 0.146 24 0 "[ . 1 . 2 . 3]"
1 6 GLU 5.601 0.243 16 0 "[ . 1 . 2 . 3]"
1 7 GLN 6.001 0.224 4 0 "[ . 1 . 2 . 3]"
1 8 ARG 0.919 0.146 24 0 "[ . 1 . 2 . 3]"
1 9 GLN 3.750 0.396 10 0 "[ . 1 . 2 . 3]"
1 10 TYR 0.452 0.083 6 0 "[ . 1 . 2 . 3]"
1 11 TYR 0.291 0.078 22 0 "[ . 1 . 2 . 3]"
1 12 VAL 0.234 0.035 20 0 "[ . 1 . 2 . 3]"
1 13 ASN 3.417 0.255 30 0 "[ . 1 . 2 . 3]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 PHE 6.872 0.244 26 0 "[ . 1 . 2 . 3]"
1 16 LYS 0.243 0.077 26 0 "[ . 1 . 2 . 3]"
1 17 THR 0.112 0.071 10 0 "[ . 1 . 2 . 3]"
1 18 ILE 2.021 0.173 18 0 "[ . 1 . 2 . 3]"
1 19 GLN 6.396 0.218 10 0 "[ . 1 . 2 . 3]"
1 20 PRO 0.078 0.032 10 0 "[ . 1 . 2 . 3]"
1 21 ASP 6.250 0.294 3 0 "[ . 1 . 2 . 3]"
1 22 LEU 3.161 0.220 26 0 "[ . 1 . 2 . 3]"
1 23 ASN 1.988 0.145 13 0 "[ . 1 . 2 . 3]"
1 24 GLY 0.745 0.090 14 0 "[ . 1 . 2 . 3]"
1 25 PHE 4.167 0.178 23 0 "[ . 1 . 2 . 3]"
1 26 ILE 8.485 0.236 12 0 "[ . 1 . 2 . 3]"
1 27 PRO 0.061 0.061 4 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.738 0.079 24 0 "[ . 1 . 2 . 3]"
1 29 SER 0.481 0.084 30 0 "[ . 1 . 2 . 3]"
1 30 ALA 4.712 0.236 12 0 "[ . 1 . 2 . 3]"
1 31 ALA 0.896 0.090 4 0 "[ . 1 . 2 . 3]"
1 32 LYS 3.928 0.344 17 0 "[ . 1 . 2 . 3]"
1 33 GLU 3.442 0.185 18 0 "[ . 1 . 2 . 3]"
1 34 PHE 8.516 0.193 1 0 "[ . 1 . 2 . 3]"
1 35 PHE 4.970 0.162 19 0 "[ . 1 . 2 . 3]"
1 36 THR 0.162 0.055 15 0 "[ . 1 . 2 . 3]"
1 37 LYS 0.184 0.032 15 0 "[ . 1 . 2 . 3]"
1 38 SER 0.413 0.136 7 0 "[ . 1 . 2 . 3]"
1 39 LYS 0.759 0.188 26 0 "[ . 1 . 2 . 3]"
1 40 LEU 0.572 0.161 16 0 "[ . 1 . 2 . 3]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 ILE 1.487 0.127 2 0 "[ . 1 . 2 . 3]"
1 43 LEU 0.335 0.119 17 0 "[ . 1 . 2 . 3]"
1 44 GLU 0.239 0.119 17 0 "[ . 1 . 2 . 3]"
1 45 LEU 2.782 0.127 2 0 "[ . 1 . 2 . 3]"
1 46 SER 0.176 0.057 29 0 "[ . 1 . 2 . 3]"
1 47 HIS 0.699 0.084 11 0 "[ . 1 . 2 . 3]"
1 48 ILE 2.379 0.126 3 0 "[ . 1 . 2 . 3]"
1 49 TRP 4.541 0.170 19 0 "[ . 1 . 2 . 3]"
1 50 GLU 0.153 0.052 14 0 "[ . 1 . 2 . 3]"
1 51 LEU 3.953 0.151 7 0 "[ . 1 . 2 . 3]"
1 52 SER 2.726 0.108 28 0 "[ . 1 . 2 . 3]"
1 53 ASP 2.510 0.219 23 0 "[ . 1 . 2 . 3]"
1 54 PHE 0.152 0.060 16 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.526 0.135 17 0 "[ . 1 . 2 . 3]"
1 56 LYS 1.684 0.219 23 0 "[ . 1 . 2 . 3]"
1 57 ASP 0.145 0.049 23 0 "[ . 1 . 2 . 3]"
1 58 GLY 0.064 0.064 16 0 "[ . 1 . 2 . 3]"
1 59 ALA 0.393 0.074 7 0 "[ . 1 . 2 . 3]"
1 60 LEU 5.380 0.169 13 0 "[ . 1 . 2 . 3]"
1 61 THR 3.012 0.178 15 0 "[ . 1 . 2 . 3]"
1 62 LEU 2.611 0.138 2 0 "[ . 1 . 2 . 3]"
1 63 ASP 7.899 0.296 19 0 "[ . 1 . 2 . 3]"
1 64 GLU 2.994 0.158 12 0 "[ . 1 . 2 . 3]"
1 65 PHE 11.203 0.244 26 0 "[ . 1 . 2 . 3]"
1 66 CYS 5.037 0.169 8 0 "[ . 1 . 2 . 3]"
1 67 ALA 0.940 0.139 9 0 "[ . 1 . 2 . 3]"
1 68 ALA 0.094 0.070 26 0 "[ . 1 . 2 . 3]"
1 69 PHE 0.308 0.070 26 0 "[ . 1 . 2 . 3]"
1 70 HIS 9.575 0.261 20 0 "[ . 1 . 2 . 3]"
1 71 LEU 10.275 0.261 20 0 "[ . 1 . 2 . 3]"
1 72 VAL 2.884 0.126 17 0 "[ . 1 . 2 . 3]"
1 73 VAL 3.233 0.126 17 0 "[ . 1 . 2 . 3]"
1 74 ALA 0.589 0.092 2 0 "[ . 1 . 2 . 3]"
1 75 ARG 0.599 0.166 14 0 "[ . 1 . 2 . 3]"
1 76 LYS 0.623 0.058 9 0 "[ . 1 . 2 . 3]"
1 77 ASN 0.825 0.098 24 0 "[ . 1 . 2 . 3]"
1 78 GLY 0.463 0.147 3 0 "[ . 1 . 2 . 3]"
1 79 TYR 0.744 0.147 3 0 "[ . 1 . 2 . 3]"
1 80 ASP 0.746 0.243 15 0 "[ . 1 . 2 . 3]"
1 81 LEU 1.493 0.243 15 0 "[ . 1 . 2 . 3]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 83 GLU 0.218 0.076 26 0 "[ . 1 . 2 . 3]"
1 84 LYS 0.584 0.209 20 0 "[ . 1 . 2 . 3]"
1 85 LEU 3.178 0.209 20 0 "[ . 1 . 2 . 3]"
1 86 PRO 0.770 0.116 12 0 "[ . 1 . 2 . 3]"
1 87 GLU 0.487 0.087 2 0 "[ . 1 . 2 . 3]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 89 LEU 0.818 0.116 12 0 "[ . 1 . 2 . 3]"
1 90 MET 3.163 0.235 25 0 "[ . 1 . 2 . 3]"
1 91 PRO 0.453 0.174 21 0 "[ . 1 . 2 . 3]"
1 92 LYS 0.453 0.174 21 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 TRP HZ3 1 71 LEU MD1 3.500 . 5.300 4.386 2.243 5.405 0.105 28 0 "[ . 1 . 2 . 3]" 2
2 1 1 TRP HH2 1 71 LEU MD1 3.500 . 5.300 3.783 1.844 5.230 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 1 TRP HZ2 1 71 LEU MD1 4.500 . 6.500 4.554 2.873 6.596 0.096 30 0 "[ . 1 . 2 . 3]" 2
4 1 1 TRP HZ3 1 74 ALA MB 2.500 . 4.100 3.269 1.945 4.131 0.031 22 0 "[ . 1 . 2 . 3]" 2
5 1 1 TRP HH2 1 74 ALA MB 2.500 . 4.100 2.833 1.836 4.102 0.002 1 0 "[ . 1 . 2 . 3]" 2
6 1 1 TRP HZ3 1 71 LEU HA 2.500 . 3.000 2.214 1.686 3.029 0.114 6 0 "[ . 1 . 2 . 3]" 2
7 1 1 TRP HH2 1 71 LEU HA 2.500 . 3.000 2.608 1.738 3.111 0.111 10 0 "[ . 1 . 2 . 3]" 2
8 1 2 LYS H 1 2 LYS QB 2.500 . 4.300 2.759 2.154 3.391 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 1 TRP HA 1 2 LYS H 2.500 . 3.000 2.500 2.137 2.979 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 1 TRP QB 1 2 LYS H 3.500 . 5.300 3.038 1.713 4.070 0.087 10 0 "[ . 1 . 2 . 3]" 2
11 1 3 ILE H 1 3 ILE HA 2.500 . 3.000 2.894 2.696 2.958 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 3 ILE H 1 3 ILE HB 2.500 . 3.000 2.635 2.463 2.985 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 3 ILE H 1 3 ILE QG . . 3.000 2.473 1.818 3.061 0.061 14 0 "[ . 1 . 2 . 3]" 2
14 1 3 ILE H 1 3 ILE MG 3.500 2.800 5.300 3.818 3.736 3.979 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 3 ILE H 1 3 ILE MD 3.500 2.800 5.300 3.645 2.692 4.361 0.108 12 0 "[ . 1 . 2 . 3]" 2
16 1 3 ILE MD 1 66 CYS HB3 3.500 2.800 5.300 3.188 2.632 4.250 0.168 9 0 "[ . 1 . 2 . 3]" 2
17 1 3 ILE MD 1 66 CYS HB2 4.500 3.600 6.500 4.504 3.879 5.517 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 3 ILE QG 1 11 TYR QE 4.500 . 6.600 4.831 3.441 6.081 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 3 ILE MD 1 11 TYR QE 2.500 . 6.500 4.415 2.751 6.201 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 3 ILE MG 1 11 TYR QE 2.500 . 6.500 3.570 2.330 4.516 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 3 ILE MG 1 11 TYR QD 3.500 . 6.500 4.358 3.140 5.282 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 3 ILE MD 1 11 TYR QD 3.500 . 6.500 5.208 3.647 6.278 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 3 ILE MG 1 8 ARG HA 2.500 . 4.100 3.289 2.015 4.123 0.023 10 0 "[ . 1 . 2 . 3]" 2
24 1 3 ILE MG 1 70 HIS HD2 3.500 . 4.100 2.875 1.778 4.181 0.081 20 0 "[ . 1 . 2 . 3]" 2
25 1 3 ILE HA 1 70 HIS HD2 3.500 . 4.200 3.706 3.137 4.237 0.037 24 0 "[ . 1 . 2 . 3]" 2
26 1 4 THR H 1 4 THR HA 2.500 . 3.000 2.920 2.842 2.967 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 4 THR H 1 4 THR HB 2.500 . 3.000 2.794 2.640 2.990 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 4 THR H 1 4 THR MG 2.500 . 4.100 3.841 3.713 3.971 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 3 ILE HA 1 4 THR H 2.500 . 3.000 2.199 2.142 2.292 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 3 ILE HB 1 4 THR H 3.500 . 4.200 4.080 3.881 4.258 0.058 23 0 "[ . 1 . 2 . 3]" 2
31 1 3 ILE QG 1 4 THR H 3.500 . 4.200 4.150 3.919 4.261 0.061 16 0 "[ . 1 . 2 . 3]" 2
32 1 3 ILE MG 1 4 THR H 4.500 . 6.500 2.371 1.936 2.837 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 4 THR H 1 7 GLN HB3 3.500 . 4.200 4.008 2.824 4.356 0.156 3 0 "[ . 1 . 2 . 3]" 2
34 1 4 THR H 1 7 GLN HB2 2.500 . 3.000 2.902 2.521 3.102 0.102 6 0 "[ . 1 . 2 . 3]" 2
35 1 4 THR H 1 7 GLN H 4.500 . 5.400 4.041 3.684 4.354 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 4 THR MG 1 7 GLN HB2 3.500 . 5.300 4.353 3.527 4.698 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 5 ASP H 1 5 ASP QB 2.500 . 4.100 2.132 2.019 2.258 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 4 THR HA 1 5 ASP H 4.500 . 5.400 2.197 2.138 2.290 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 4 THR HB 1 5 ASP H 3.500 . 4.200 3.897 3.629 4.071 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 4 THR MG 1 5 ASP H 3.500 . 5.300 2.361 1.998 2.680 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 5 ASP HA 1 8 ARG HB3 2.500 . 3.000 2.369 1.688 3.045 0.112 15 0 "[ . 1 . 2 . 3]" 2
42 1 5 ASP HA 1 8 ARG HB2 2.500 . 3.000 2.640 1.654 3.117 0.146 24 0 "[ . 1 . 2 . 3]" 2
43 1 5 ASP HA 1 8 ARG QG 4.500 . 6.500 3.845 2.918 4.640 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 6 GLU H 1 6 GLU HA 2.500 . 3.000 2.774 2.730 2.824 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 6 GLU H 1 6 GLU HB3 2.500 . 3.300 3.394 3.240 3.543 0.243 16 0 "[ . 1 . 2 . 3]" 2
46 1 6 GLU H 1 6 GLU HB2 2.500 . 3.000 2.163 2.022 2.436 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 6 GLU H 1 6 GLU QG 2.500 . 4.100 3.144 2.421 3.866 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 5 ASP QB 1 6 GLU H 2.500 . 4.100 2.674 2.489 2.905 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 4 THR HB 1 6 GLU H 2.500 . 3.200 3.284 3.223 3.366 0.166 27 0 "[ . 1 . 2 . 3]" 2
50 1 6 GLU H 1 7 GLN H 3.500 . 4.200 2.843 2.558 3.052 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 7 GLN H 1 7 GLN HA 2.500 . 3.000 2.823 2.743 2.875 . 0 0 "[ . 1 . 2 . 3]" 2
52 1 7 GLN H 1 7 GLN HB3 2.500 . 3.300 3.408 3.184 3.524 0.224 4 0 "[ . 1 . 2 . 3]" 2
53 1 7 GLN H 1 7 GLN HB2 2.500 . 3.000 2.159 1.987 2.475 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 7 GLN H 1 7 GLN QG 2.500 . 4.100 3.031 2.088 3.975 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 6 GLU HA 1 7 GLN H 3.500 . 4.200 3.551 3.492 3.592 . 0 0 "[ . 1 . 2 . 3]" 2
56 1 6 GLU HB3 1 7 GLN H 3.500 . 4.200 2.886 2.334 3.563 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 6 GLU HB2 1 7 GLN H 3.500 . 4.200 2.772 2.438 3.114 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 4 THR HB 1 7 GLN H 3.500 . 5.300 2.536 2.110 2.831 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 4 THR MG 1 7 GLN H 4.500 . 6.500 3.409 2.924 3.768 . 0 0 "[ . 1 . 2 . 3]" 2
60 1 7 GLN H 1 8 ARG H 4.500 . 6.500 2.565 2.377 2.822 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 7 GLN HA 1 10 TYR HB3 2.500 . 3.000 2.413 1.748 3.083 0.083 6 0 "[ . 1 . 2 . 3]" 2
62 1 7 GLN HA 1 10 TYR HB2 2.500 . 3.000 2.580 1.829 3.047 0.047 1 0 "[ . 1 . 2 . 3]" 2
63 1 7 GLN HB3 1 7 GLN QE 3.500 . 4.200 3.501 2.057 4.252 0.052 18 0 "[ . 1 . 2 . 3]" 2
64 1 7 GLN HB2 1 7 GLN QE 3.500 . 4.200 3.187 1.602 4.065 0.198 16 0 "[ . 1 . 2 . 3]" 2
65 1 7 GLN QE 1 7 GLN QG 2.500 . 4.100 2.237 2.048 2.790 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 8 ARG H 1 8 ARG HA 2.500 . 3.000 2.767 2.712 2.842 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 8 ARG H 1 8 ARG HB3 2.500 . 3.000 2.604 2.263 3.101 0.101 24 0 "[ . 1 . 2 . 3]" 2
68 1 8 ARG H 1 8 ARG HB2 2.500 . 3.000 2.442 2.065 2.788 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 8 ARG H 1 8 ARG QG 3.500 . 5.300 3.930 3.677 4.040 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 8 ARG H 1 9 GLN H 2.500 . 3.000 2.906 2.689 3.039 0.039 3 0 "[ . 1 . 2 . 3]" 2
71 1 7 GLN HA 1 8 ARG H 3.500 . 5.300 3.516 3.412 3.569 . 0 0 "[ . 1 . 2 . 3]" 2
72 1 7 GLN HB3 1 8 ARG H 3.500 . 4.200 3.310 2.928 3.747 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 7 GLN HB2 1 8 ARG H 3.500 . 4.200 2.900 2.297 3.622 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 7 GLN QG 1 8 ARG H 4.500 . 6.500 4.368 3.920 4.706 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 5 ASP HA 1 8 ARG QD 4.500 . 6.500 3.392 2.275 4.759 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 8 ARG HA 1 11 TYR QD 2.500 . 5.400 3.126 2.142 4.037 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 8 ARG HA 1 11 TYR QE 4.500 . 7.800 3.581 1.829 4.822 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 8 ARG HA 1 11 TYR H 3.500 . 4.200 4.022 3.554 4.253 0.053 12 0 "[ . 1 . 2 . 3]" 2
79 1 9 GLN H 1 9 GLN HA 2.500 . 3.000 2.833 2.768 2.862 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 9 GLN H 1 9 GLN HB3 2.500 . 3.000 2.784 2.411 3.396 0.396 10 0 "[ . 1 . 2 . 3]" 2
81 1 9 GLN H 1 9 GLN HB2 2.500 . 3.500 3.120 2.008 3.621 0.121 14 0 "[ . 1 . 2 . 3]" 2
82 1 9 GLN H 1 9 GLN QG 3.500 . 5.300 2.481 1.774 3.831 0.026 29 0 "[ . 1 . 2 . 3]" 2
83 1 8 ARG HA 1 9 GLN H 3.500 . 4.200 3.565 3.538 3.593 . 0 0 "[ . 1 . 2 . 3]" 2
84 1 8 ARG HB3 1 9 GLN H 3.500 . 4.200 2.345 2.138 2.661 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 8 ARG HB2 1 9 GLN H 3.500 . 4.200 3.669 3.187 3.931 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 8 ARG QG 1 9 GLN H 4.500 . 6.500 3.517 2.770 4.235 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 9 GLN H 1 10 TYR H 2.500 . 3.000 2.568 2.444 2.792 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 9 GLN HA 1 12 VAL MG1 2.500 . 4.100 3.868 3.640 4.129 0.029 18 0 "[ . 1 . 2 . 3]" 2
89 1 10 TYR H 1 10 TYR HA 2.500 . 3.000 2.741 2.699 2.801 . 0 0 "[ . 1 . 2 . 3]" 2
90 1 10 TYR H 1 10 TYR HB3 2.500 . 3.000 2.674 2.422 3.071 0.071 7 0 "[ . 1 . 2 . 3]" 2
91 1 10 TYR H 1 10 TYR HB2 2.500 . 3.000 2.406 2.083 2.621 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 9 GLN HA 1 10 TYR H 3.500 . 4.200 3.518 3.437 3.576 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 9 GLN QB 1 10 TYR H 2.500 . 4.100 3.192 2.567 3.596 . 0 0 "[ . 1 . 2 . 3]" 2
94 1 9 GLN QG 1 10 TYR H 3.500 . 5.300 2.807 1.851 4.454 . 0 0 "[ . 1 . 2 . 3]" 2
95 1 10 TYR H 1 11 TYR H 2.500 . 3.000 2.944 2.722 3.078 0.078 22 0 "[ . 1 . 2 . 3]" 2
96 1 10 TYR H 1 12 VAL H 4.500 . 5.000 4.396 4.092 4.650 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 15 PHE QD 1 65 PHE H 3.500 . 6.600 6.387 6.097 6.600 . 0 0 "[ . 1 . 2 . 3]" 2
98 1 10 TYR HA 1 10 TYR QD 2.500 . 5.400 2.410 2.070 3.112 . 0 0 "[ . 1 . 2 . 3]" 2
99 1 10 TYR HB3 1 10 TYR QD 2.500 . 5.400 2.324 2.263 2.524 . 0 0 "[ . 1 . 2 . 3]" 2
100 1 10 TYR HB2 1 10 TYR QD 2.500 . 5.400 2.612 2.292 2.747 . 0 0 "[ . 1 . 2 . 3]" 2
101 1 10 TYR QD 1 11 TYR QD 2.500 . 7.800 3.390 1.917 5.948 . 0 0 "[ . 1 . 2 . 3]" 2
102 1 10 TYR QE 1 11 TYR QD 3.500 . 9.000 4.881 3.441 7.816 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 10 TYR QD 1 11 TYR QE 2.500 . 7.800 3.735 1.800 7.642 . 28 0 "[ . 1 . 2 . 3]" 2
104 1 11 TYR H 1 11 TYR HA 2.500 . 3.000 2.842 2.784 2.872 . 0 0 "[ . 1 . 2 . 3]" 2
105 1 11 TYR H 1 11 TYR QB 2.500 . 4.100 2.503 2.297 2.616 . 0 0 "[ . 1 . 2 . 3]" 2
106 1 11 TYR H 1 11 TYR QD 2.500 . 5.400 2.752 2.320 3.085 . 0 0 "[ . 1 . 2 . 3]" 2
107 1 11 TYR H 1 11 TYR QE 4.500 . 7.800 4.295 3.914 4.731 . 0 0 "[ . 1 . 2 . 3]" 2
108 1 11 TYR H 1 12 VAL H 2.500 . 3.000 2.683 2.579 2.816 . 0 0 "[ . 1 . 2 . 3]" 2
109 1 10 TYR HA 1 11 TYR H 3.500 . 4.200 3.562 3.526 3.600 . 0 0 "[ . 1 . 2 . 3]" 2
110 1 10 TYR HB3 1 11 TYR H 3.500 . 4.200 2.405 2.245 2.568 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 10 TYR HB2 1 11 TYR H 3.500 . 4.200 3.714 3.273 3.935 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 10 TYR QD 1 11 TYR H 3.500 . 6.600 3.730 3.215 4.302 . 0 0 "[ . 1 . 2 . 3]" 2
113 1 9 GLN H 1 11 TYR H 4.500 . 5.400 4.456 4.113 4.762 . 0 0 "[ . 1 . 2 . 3]" 2
114 1 9 GLN HA 1 11 TYR H 4.500 . 5.400 4.389 4.073 4.713 . 0 0 "[ . 1 . 2 . 3]" 2
115 1 7 GLN HA 1 11 TYR H 4.500 . 5.400 4.109 3.575 4.778 . 0 0 "[ . 1 . 2 . 3]" 2
116 1 11 TYR HA 1 11 TYR QD 2.500 . 5.400 2.576 2.000 3.698 . 0 0 "[ . 1 . 2 . 3]" 2
117 1 11 TYR QB 1 11 TYR QD 2.500 . 6.500 2.223 2.137 2.335 . 0 0 "[ . 1 . 2 . 3]" 2
118 1 11 TYR QB 1 66 CYS HA 3.500 . 5.300 4.205 3.620 4.953 . 0 0 "[ . 1 . 2 . 3]" 2
119 1 11 TYR QD 1 12 VAL MG1 4.500 . 8.900 5.855 4.117 6.637 . 0 0 "[ . 1 . 2 . 3]" 2
120 1 11 TYR QD 1 66 CYS HB3 3.500 . 6.600 5.223 4.472 6.234 . 0 0 "[ . 1 . 2 . 3]" 2
121 1 11 TYR QD 1 66 CYS HB2 3.500 . 6.600 5.798 5.063 6.395 . 0 0 "[ . 1 . 2 . 3]" 2
122 1 11 TYR QD 1 66 CYS HA 2.500 . 5.400 3.561 2.635 4.632 . 0 0 "[ . 1 . 2 . 3]" 2
123 1 11 TYR QE 1 66 CYS HA 4.500 3.800 7.800 4.475 3.759 6.093 0.041 23 0 "[ . 1 . 2 . 3]" 2
124 1 11 TYR QE 1 66 CYS HB3 3.500 . 6.600 5.417 4.619 6.418 . 0 0 "[ . 1 . 2 . 3]" 2
125 1 11 TYR QE 1 66 CYS HB2 4.500 . 7.800 6.288 4.533 7.665 . 0 0 "[ . 1 . 2 . 3]" 2
126 1 12 VAL H 1 12 VAL HA 2.500 . 3.000 2.764 2.726 2.847 . 0 0 "[ . 1 . 2 . 3]" 2
127 1 12 VAL H 1 12 VAL HB 2.500 . 3.000 2.632 2.558 2.691 . 0 0 "[ . 1 . 2 . 3]" 2
128 1 12 VAL H 1 12 VAL MG1 2.500 . 4.100 3.762 3.737 3.781 . 0 0 "[ . 1 . 2 . 3]" 2
129 1 12 VAL H 1 12 VAL MG2 2.500 . 4.100 1.976 1.796 2.279 0.004 24 0 "[ . 1 . 2 . 3]" 2
130 1 11 TYR QD 1 12 VAL H 3.500 . 5.300 3.751 2.556 4.310 . 0 0 "[ . 1 . 2 . 3]" 2
131 1 12 VAL H 1 13 ASN H 2.500 . 3.000 2.834 2.568 2.997 . 0 0 "[ . 1 . 2 . 3]" 2
132 1 12 VAL H 1 14 GLN H 4.500 . 5.400 4.480 4.178 4.819 . 0 0 "[ . 1 . 2 . 3]" 2
133 1 11 TYR HA 1 12 VAL H 4.500 . 5.400 3.552 3.513 3.574 . 0 0 "[ . 1 . 2 . 3]" 2
134 1 11 TYR QB 1 12 VAL H 3.500 . 5.300 2.556 2.142 3.438 . 0 0 "[ . 1 . 2 . 3]" 2
135 1 8 ARG HA 1 12 VAL H 4.500 . 5.400 4.540 4.084 5.010 . 0 0 "[ . 1 . 2 . 3]" 2
136 1 9 GLN HA 1 12 VAL H 2.500 . 3.500 3.394 3.066 3.535 0.035 20 0 "[ . 1 . 2 . 3]" 2
137 1 11 TYR H 1 12 VAL MG1 4.500 . 6.500 5.884 5.787 6.001 . 0 0 "[ . 1 . 2 . 3]" 2
138 1 12 VAL MG1 1 15 PHE HB2 4.500 . 7.000 4.626 3.912 5.305 . 0 0 "[ . 1 . 2 . 3]" 2
139 1 12 VAL HA 1 15 PHE HB3 3.500 . 4.400 3.452 2.825 4.068 . 0 0 "[ . 1 . 2 . 3]" 2
140 1 12 VAL MG1 1 62 LEU MD1 2.500 . 5.200 4.099 2.727 5.233 0.033 5 0 "[ . 1 . 2 . 3]" 2
141 1 12 VAL MG1 1 62 LEU MD2 2.500 . 5.200 3.731 2.766 4.587 . 0 0 "[ . 1 . 2 . 3]" 2
142 1 13 ASN H 1 13 ASN HA 2.500 . 3.000 2.720 2.691 2.759 . 0 0 "[ . 1 . 2 . 3]" 2
143 1 13 ASN H 1 13 ASN HB3 2.500 . 3.300 3.406 3.285 3.555 0.255 30 0 "[ . 1 . 2 . 3]" 2
144 1 13 ASN H 1 13 ASN HB2 2.500 . 3.000 2.127 2.043 2.488 . 0 0 "[ . 1 . 2 . 3]" 2
145 1 12 VAL HA 1 13 ASN H 3.500 . 4.200 3.539 3.490 3.578 . 0 0 "[ . 1 . 2 . 3]" 2
146 1 12 VAL HB 1 13 ASN H 2.500 . 3.000 2.618 2.301 2.868 . 0 0 "[ . 1 . 2 . 3]" 2
147 1 12 VAL MG1 1 13 ASN H 3.500 . 5.300 3.525 3.174 3.741 . 0 0 "[ . 1 . 2 . 3]" 2
148 1 12 VAL MG2 1 13 ASN H 3.500 . 5.300 3.801 3.631 3.923 . 0 0 "[ . 1 . 2 . 3]" 2
149 1 13 ASN H 1 15 PHE H 4.500 . 5.400 4.542 4.239 4.804 . 0 0 "[ . 1 . 2 . 3]" 2
150 1 9 GLN HA 1 13 ASN H 3.500 . 4.200 3.812 3.355 4.196 . 0 0 "[ . 1 . 2 . 3]" 2
151 1 13 ASN HA 1 16 LYS QB 2.500 . 4.100 3.604 3.022 4.177 0.077 26 0 "[ . 1 . 2 . 3]" 2
152 1 14 GLN H 1 14 GLN HA 2.500 . 3.000 2.921 2.886 2.946 . 0 0 "[ . 1 . 2 . 3]" 2
153 1 14 GLN H 1 14 GLN QB 2.500 . 4.100 2.397 2.181 2.558 . 0 0 "[ . 1 . 2 . 3]" 2
154 1 14 GLN H 1 14 GLN QG 2.500 . 4.100 2.700 2.209 3.658 . 0 0 "[ . 1 . 2 . 3]" 2
155 1 13 ASN HA 1 14 GLN H 3.500 . 4.200 3.543 3.494 3.601 . 0 0 "[ . 1 . 2 . 3]" 2
156 1 13 ASN QB 1 14 GLN H 4.500 . 6.500 2.688 2.448 2.976 . 0 0 "[ . 1 . 2 . 3]" 2
157 1 14 GLN H 1 15 PHE H 2.500 . 3.000 2.430 2.265 2.604 . 0 0 "[ . 1 . 2 . 3]" 2
158 1 14 GLN HA 1 14 GLN QE 4.500 . 5.400 3.988 1.816 4.915 . 0 0 "[ . 1 . 2 . 3]" 2
159 1 14 GLN QE 1 14 GLN QG 2.500 . 4.100 2.215 2.058 2.778 . 0 0 "[ . 1 . 2 . 3]" 2
160 1 15 PHE H 1 15 PHE HA 2.500 . 3.000 2.788 2.721 2.832 . 0 0 "[ . 1 . 2 . 3]" 2
161 1 15 PHE H 1 15 PHE HB3 2.500 . 4.100 3.386 3.271 3.506 . 0 0 "[ . 1 . 2 . 3]" 2
162 1 15 PHE H 1 15 PHE HB2 2.500 . 4.100 2.115 2.060 2.209 . 0 0 "[ . 1 . 2 . 3]" 2
163 1 14 GLN HA 1 15 PHE H 3.500 . 4.200 3.567 3.534 3.593 . 0 0 "[ . 1 . 2 . 3]" 2
164 1 14 GLN QB 1 15 PHE H 3.500 . 5.300 2.353 2.168 2.550 . 0 0 "[ . 1 . 2 . 3]" 2
165 1 14 GLN QG 1 15 PHE H 4.500 . 6.500 4.028 3.749 4.348 . 0 0 "[ . 1 . 2 . 3]" 2
166 1 15 PHE H 1 16 LYS H 2.500 . 3.000 2.726 2.595 2.885 . 0 0 "[ . 1 . 2 . 3]" 2
167 1 15 PHE H 1 15 PHE QD 2.500 . 5.400 2.839 2.360 3.188 . 0 0 "[ . 1 . 2 . 3]" 2
168 1 15 PHE H 1 15 PHE QE 3.500 . 6.600 5.128 4.581 5.445 . 0 0 "[ . 1 . 2 . 3]" 2
169 1 15 PHE H 1 65 PHE HZ 3.500 . 4.200 3.458 3.131 4.344 0.144 2 0 "[ . 1 . 2 . 3]" 2
170 1 15 PHE HB3 1 15 PHE QD 2.500 . 5.400 2.278 2.258 2.422 . 0 0 "[ . 1 . 2 . 3]" 2
171 1 15 PHE HB2 1 15 PHE QD 2.500 . 5.400 2.632 2.556 2.754 . 0 0 "[ . 1 . 2 . 3]" 2
172 1 15 PHE HA 1 15 PHE QE 4.500 . 7.800 4.209 3.998 4.315 . 0 0 "[ . 1 . 2 . 3]" 2
173 1 15 PHE HB3 1 15 PHE QE 4.500 . 7.800 4.372 4.360 4.407 . 0 0 "[ . 1 . 2 . 3]" 2
174 1 15 PHE HB2 1 15 PHE QE 4.500 . 7.800 4.471 4.453 4.507 . 0 0 "[ . 1 . 2 . 3]" 2
175 1 15 PHE QD 1 62 LEU MD2 2.500 . 6.500 4.500 3.438 5.189 . 0 0 "[ . 1 . 2 . 3]" 2
176 1 15 PHE QD 1 26 ILE MD 2.500 . 6.500 2.583 2.079 4.813 . 0 0 "[ . 1 . 2 . 3]" 2
177 1 15 PHE QD 1 18 ILE MD 4.500 . 8.900 4.414 3.372 4.927 . 0 0 "[ . 1 . 2 . 3]" 2
178 1 15 PHE QD 1 60 LEU MD1 4.500 . 8.900 8.040 7.678 8.870 . 0 0 "[ . 1 . 2 . 3]" 2
179 1 15 PHE QD 1 60 LEU MD2 2.500 . 6.500 6.033 5.522 6.585 0.085 26 0 "[ . 1 . 2 . 3]" 2
180 1 15 PHE QD 1 65 PHE HB3 3.500 . 6.700 4.631 4.367 4.970 . 0 0 "[ . 1 . 2 . 3]" 2
181 1 15 PHE QD 1 65 PHE HB2 3.500 . 6.700 3.929 3.500 5.563 . 0 0 "[ . 1 . 2 . 3]" 2
182 1 15 PHE QD 1 62 LEU HA 4.500 . 7.800 5.132 4.677 6.195 . 0 0 "[ . 1 . 2 . 3]" 2
183 1 15 PHE QD 1 68 ALA MB 4.500 . 8.900 6.412 4.979 7.121 . 0 0 "[ . 1 . 2 . 3]" 2
184 1 15 PHE QE 1 18 ILE MD 3.500 . 7.700 4.366 3.572 4.690 . 0 0 "[ . 1 . 2 . 3]" 2
185 1 15 PHE QE 1 26 ILE MD 3.500 . 7.700 2.138 1.746 5.294 0.054 7 0 "[ . 1 . 2 . 3]" 2
186 1 15 PHE QE 1 60 LEU MD1 4.500 . 8.900 6.763 6.356 8.349 . 0 0 "[ . 1 . 2 . 3]" 2
187 1 15 PHE QE 1 65 PHE HB2 4.500 . 7.700 3.817 2.968 6.121 . 0 0 "[ . 1 . 2 . 3]" 2
188 1 15 PHE HZ 1 18 ILE MD 3.500 . 5.300 4.986 3.752 5.370 0.070 2 0 "[ . 1 . 2 . 3]" 2
189 1 15 PHE HZ 1 26 ILE MD 4.500 . 6.500 3.730 3.141 6.510 0.010 26 0 "[ . 1 . 2 . 3]" 2
190 1 15 PHE HA 1 18 ILE MD 3.500 . 5.300 4.021 2.324 4.894 . 0 0 "[ . 1 . 2 . 3]" 2
191 1 15 PHE HA 1 26 ILE MD 3.500 . 5.700 4.558 4.180 5.210 . 0 0 "[ . 1 . 2 . 3]" 2
192 1 15 PHE HB3 1 26 ILE MD 4.500 . 6.500 4.070 3.546 4.857 . 0 0 "[ . 1 . 2 . 3]" 2
193 1 15 PHE HB2 1 26 ILE MD 4.500 . 6.500 5.188 4.724 6.255 . 0 0 "[ . 1 . 2 . 3]" 2
194 1 15 PHE HB3 1 62 LEU MD2 2.500 . 5.200 4.425 3.746 5.079 . 0 0 "[ . 1 . 2 . 3]" 2
195 1 15 PHE HB2 1 62 LEU MD2 2.500 . 5.300 5.101 4.661 5.377 0.077 8 0 "[ . 1 . 2 . 3]" 2
196 1 16 LYS H 1 16 LYS HA 2.500 . 3.000 2.722 2.700 2.760 . 0 0 "[ . 1 . 2 . 3]" 2
197 1 16 LYS H 1 16 LYS QB 2.500 . 4.100 2.371 2.066 2.578 . 0 0 "[ . 1 . 2 . 3]" 2
198 1 16 LYS H 1 16 LYS QG 3.500 . 5.300 2.473 1.927 3.278 . 0 0 "[ . 1 . 2 . 3]" 2
199 1 16 LYS H 1 16 LYS QD 4.500 . 6.500 3.985 3.426 4.738 . 0 0 "[ . 1 . 2 . 3]" 2
200 1 16 LYS H 1 17 THR H 2.500 . 3.000 2.860 2.740 3.040 0.040 11 0 "[ . 1 . 2 . 3]" 2
201 1 15 PHE HA 1 16 LYS H 3.500 . 4.200 3.461 3.429 3.526 . 0 0 "[ . 1 . 2 . 3]" 2
202 1 15 PHE QB 1 16 LYS H 2.500 . 4.300 3.048 2.842 3.119 . 0 0 "[ . 1 . 2 . 3]" 2
203 1 15 PHE QD 1 16 LYS H 2.500 . 5.400 4.719 4.490 4.795 . 0 0 "[ . 1 . 2 . 3]" 2
204 1 15 PHE QE 1 16 LYS H 4.500 . 7.800 6.772 6.613 6.815 . 0 0 "[ . 1 . 2 . 3]" 2
205 1 16 LYS H 1 65 PHE HZ 4.500 . 5.400 4.980 4.194 5.271 . 0 0 "[ . 1 . 2 . 3]" 2
206 1 16 LYS QB 1 20 PRO QB 2.500 . 5.200 3.414 2.300 5.065 . 0 0 "[ . 1 . 2 . 3]" 2
207 1 15 PHE HB2 1 16 LYS QB 3.500 . 6.300 5.356 4.980 5.600 . 0 0 "[ . 1 . 2 . 3]" 2
208 1 17 THR H 1 17 THR HA 2.500 . 3.000 2.763 2.725 2.821 . 0 0 "[ . 1 . 2 . 3]" 2
209 1 17 THR H 1 17 THR HB 2.500 . 3.000 2.672 2.503 2.830 . 0 0 "[ . 1 . 2 . 3]" 2
210 1 17 THR H 1 17 THR MG 2.500 . 4.100 3.551 2.183 3.804 . 0 0 "[ . 1 . 2 . 3]" 2
211 1 17 THR H 1 18 ILE H 2.500 . 3.000 2.763 2.633 2.854 . 0 0 "[ . 1 . 2 . 3]" 2
212 1 16 LYS QB 1 17 THR H 3.500 . 5.300 3.172 2.698 3.612 . 0 0 "[ . 1 . 2 . 3]" 2
213 1 16 LYS QG 1 17 THR H 4.500 . 6.500 3.281 1.876 4.512 . 0 0 "[ . 1 . 2 . 3]" 2
214 1 17 THR H 1 19 GLN H 4.500 . 5.400 4.239 3.914 4.834 . 0 0 "[ . 1 . 2 . 3]" 2
215 1 18 ILE H 1 18 ILE HA 2.500 . 3.000 2.941 2.927 2.952 . 0 0 "[ . 1 . 2 . 3]" 2
216 1 18 ILE H 1 18 ILE HB 2.500 . 3.000 2.651 2.496 2.861 . 0 0 "[ . 1 . 2 . 3]" 2
217 1 18 ILE H 1 18 ILE HG13 3.500 . 4.200 2.856 2.472 3.519 . 0 0 "[ . 1 . 2 . 3]" 2
218 1 18 ILE H 1 18 ILE HG12 3.500 . 4.200 3.938 3.644 4.270 0.070 17 0 "[ . 1 . 2 . 3]" 2
219 1 18 ILE H 1 18 ILE MG 3.500 . 5.300 3.848 3.791 3.936 . 0 0 "[ . 1 . 2 . 3]" 2
220 1 18 ILE H 1 18 ILE MD 3.500 . 5.300 3.531 1.765 4.249 0.035 24 0 "[ . 1 . 2 . 3]" 2
221 1 17 THR HA 1 18 ILE H 3.500 . 4.200 3.487 3.299 3.546 . 0 0 "[ . 1 . 2 . 3]" 2
222 1 17 THR HB 1 18 ILE H 3.500 . 4.200 2.908 2.516 4.271 0.071 10 0 "[ . 1 . 2 . 3]" 2
223 1 17 THR HG1 1 18 ILE H 4.500 . 6.500 3.276 1.839 3.796 . 0 0 "[ . 1 . 2 . 3]" 2
224 1 18 ILE H 1 19 GLN H 2.500 . 3.000 2.171 1.944 2.482 . 0 0 "[ . 1 . 2 . 3]" 2
225 1 18 ILE MD 1 30 ALA MB 4.500 . 7.600 3.050 2.192 4.916 . 0 0 "[ . 1 . 2 . 3]" 2
226 1 18 ILE MD 1 34 PHE HB3 3.500 . 5.300 5.135 4.798 5.473 0.173 18 0 "[ . 1 . 2 . 3]" 2
227 1 18 ILE MD 1 34 PHE HB2 3.500 . 5.300 4.352 3.756 5.201 . 0 0 "[ . 1 . 2 . 3]" 2
228 1 18 ILE MD 1 34 PHE QE 3.500 . 7.700 2.370 1.916 3.094 . 0 0 "[ . 1 . 2 . 3]" 2
229 1 18 ILE MD 1 34 PHE HA 4.500 . 6.500 5.495 4.853 5.995 . 0 0 "[ . 1 . 2 . 3]" 2
230 1 18 ILE MD 1 31 ALA HA 4.500 . 6.500 5.418 4.774 6.515 0.015 18 0 "[ . 1 . 2 . 3]" 2
231 1 18 ILE MD 1 26 ILE MG 4.500 . 7.600 3.855 3.076 5.298 . 0 0 "[ . 1 . 2 . 3]" 2
232 1 18 ILE MG 1 30 ALA MB 2.500 . 5.300 3.294 2.589 4.267 . 0 0 "[ . 1 . 2 . 3]" 2
233 1 19 GLN H 1 19 GLN HA 2.500 . 3.000 2.937 2.925 2.950 . 0 0 "[ . 1 . 2 . 3]" 2
234 1 19 GLN H 1 19 GLN HB3 2.500 . 3.000 3.038 2.702 3.218 0.218 10 0 "[ . 1 . 2 . 3]" 2
235 1 19 GLN H 1 19 GLN HB2 2.500 . 3.000 2.546 2.273 2.807 . 0 0 "[ . 1 . 2 . 3]" 2
236 1 19 GLN H 1 19 GLN QG 3.500 . 5.300 4.177 4.048 4.323 . 0 0 "[ . 1 . 2 . 3]" 2
237 1 18 ILE HA 1 19 GLN H 3.500 . 4.200 3.565 3.454 3.608 . 0 0 "[ . 1 . 2 . 3]" 2
238 1 18 ILE HB 1 19 GLN H . . 3.000 2.505 2.003 3.053 0.053 2 0 "[ . 1 . 2 . 3]" 2
239 1 19 GLN QG 1 65 PHE QE 2.500 . 6.500 4.478 3.886 5.069 . 0 0 "[ . 1 . 2 . 3]" 2
240 1 19 GLN HB3 1 65 PHE QE 3.500 . 6.600 3.351 2.636 3.732 . 0 0 "[ . 1 . 2 . 3]" 2
241 1 19 GLN HB2 1 65 PHE QE 3.500 . 6.600 4.370 2.851 5.173 . 0 0 "[ . 1 . 2 . 3]" 2
242 1 19 GLN HA 1 20 PRO QD 2.500 . 4.100 2.038 1.915 2.354 . 0 0 "[ . 1 . 2 . 3]" 2
243 1 19 GLN HA 1 65 PHE QD 2.500 . 5.400 5.442 4.629 5.566 0.166 9 0 "[ . 1 . 2 . 3]" 2
244 1 19 GLN HA 1 65 PHE QE 4.500 . 7.800 5.933 4.696 6.270 . 0 0 "[ . 1 . 2 . 3]" 2
245 1 18 ILE QG 1 19 GLN H 4.500 . 5.400 4.028 3.728 4.455 . 0 0 "[ . 1 . 2 . 3]" 2
246 1 19 GLN HB3 1 19 GLN QE 4.500 2.800 5.400 3.912 3.490 4.196 . 0 0 "[ . 1 . 2 . 3]" 2
247 1 19 GLN HB2 1 19 GLN QE 4.500 2.800 5.400 3.227 2.728 3.903 0.072 29 0 "[ . 1 . 2 . 3]" 2
248 1 21 ASP H 1 21 ASP HA 2.500 . 3.000 2.908 2.870 2.940 . 0 0 "[ . 1 . 2 . 3]" 2
249 1 21 ASP H 1 21 ASP HB3 2.500 . 3.000 2.909 2.555 3.075 0.075 28 0 "[ . 1 . 2 . 3]" 2
250 1 21 ASP H 1 21 ASP HB2 2.500 . 3.000 3.057 2.640 3.294 0.294 3 0 "[ . 1 . 2 . 3]" 2
251 1 20 PRO HA 1 21 ASP H 3.500 . 4.200 3.570 3.376 3.606 . 0 0 "[ . 1 . 2 . 3]" 2
252 1 20 PRO QB 1 21 ASP H 4.500 . 6.500 2.804 2.281 3.620 . 0 0 "[ . 1 . 2 . 3]" 2
253 1 20 PRO QG 1 21 ASP H 2.500 . 4.100 2.044 1.768 2.960 0.032 10 0 "[ . 1 . 2 . 3]" 2
254 1 20 PRO QD 1 21 ASP H 3.500 . 4.200 2.857 2.497 3.224 . 0 0 "[ . 1 . 2 . 3]" 2
255 1 21 ASP H 1 22 LEU H 3.500 . 4.200 3.754 1.829 4.420 0.220 26 0 "[ . 1 . 2 . 3]" 2
256 1 19 GLN HB3 1 21 ASP H 4.500 . 5.400 5.248 4.277 5.513 0.113 5 0 "[ . 1 . 2 . 3]" 2
257 1 19 GLN QG 1 21 ASP H 4.500 . 6.500 4.211 3.051 4.869 . 0 0 "[ . 1 . 2 . 3]" 2
258 1 22 LEU QD 1 65 PHE QE 3.500 . 7.500 7.089 6.037 7.516 0.016 10 0 "[ . 1 . 2 . 3]" 2
259 1 22 LEU QD 1 65 PHE QD 2.500 . 7.500 6.282 5.659 7.413 . 0 0 "[ . 1 . 2 . 3]" 2
260 1 23 ASN H 1 23 ASN HA 2.500 . 3.000 2.931 2.915 2.948 . 0 0 "[ . 1 . 2 . 3]" 2
261 1 23 ASN H 1 23 ASN HB3 2.500 . 3.000 2.710 2.504 2.963 . 0 0 "[ . 1 . 2 . 3]" 2
262 1 23 ASN H 1 23 ASN HB2 3.500 . 4.200 2.818 2.562 3.184 . 0 0 "[ . 1 . 2 . 3]" 2
263 1 22 LEU HA 1 23 ASN H 3.500 . 4.200 3.172 2.505 3.523 . 0 0 "[ . 1 . 2 . 3]" 2
264 1 22 LEU HB3 1 23 ASN H 4.500 . 5.400 3.536 1.768 4.411 0.032 5 0 "[ . 1 . 2 . 3]" 2
265 1 22 LEU HB2 1 23 ASN H 3.500 . 4.200 3.366 1.744 4.345 0.145 13 0 "[ . 1 . 2 . 3]" 2
266 1 22 LEU QD 1 23 ASN H 4.500 . 7.500 3.800 1.939 4.557 . 0 0 "[ . 1 . 2 . 3]" 2
267 1 23 ASN H 1 24 GLY H 2.500 . 3.000 2.684 1.847 3.062 0.062 20 0 "[ . 1 . 2 . 3]" 2
268 1 23 ASN H 1 24 GLY QA 4.500 . 6.500 4.069 3.675 4.298 . 0 0 "[ . 1 . 2 . 3]" 2
269 1 23 ASN HB3 1 23 ASN QD . . 3.000 2.612 2.099 3.136 0.136 14 0 "[ . 1 . 2 . 3]" 2
270 1 23 ASN H 1 23 ASN QD 4.500 . 5.400 4.522 4.206 4.933 . 0 0 "[ . 1 . 2 . 3]" 2
271 1 24 GLY H 1 24 GLY QA 2.500 . 4.100 2.348 2.270 2.440 . 0 0 "[ . 1 . 2 . 3]" 2
272 1 23 ASN HA 1 24 GLY H 3.500 . 4.200 2.885 2.577 3.527 . 0 0 "[ . 1 . 2 . 3]" 2
273 1 23 ASN HB3 1 24 GLY H 3.500 . 4.200 4.012 2.574 4.290 0.090 14 0 "[ . 1 . 2 . 3]" 2
274 1 23 ASN HB2 1 24 GLY H 4.500 . 5.400 4.474 3.773 4.615 . 0 0 "[ . 1 . 2 . 3]" 2
275 1 24 GLY H 1 25 PHE QD 3.500 . 6.600 4.601 3.297 5.482 . 0 0 "[ . 1 . 2 . 3]" 2
276 1 24 GLY QA 1 65 PHE QE 4.500 . 8.700 8.072 6.938 8.764 0.064 13 0 "[ . 1 . 2 . 3]" 2
277 1 25 PHE H 1 25 PHE HB3 3.500 . 4.200 3.834 3.671 3.928 . 0 0 "[ . 1 . 2 . 3]" 2
278 1 25 PHE H 1 25 PHE HB2 3.500 . 4.200 2.818 2.526 2.975 . 0 0 "[ . 1 . 2 . 3]" 2
279 1 24 GLY QA 1 25 PHE H 2.500 . 4.100 2.179 2.129 2.268 . 0 0 "[ . 1 . 2 . 3]" 2
280 1 25 PHE H 1 25 PHE QD 3.500 . 6.600 2.556 1.751 3.599 0.049 19 0 "[ . 1 . 2 . 3]" 2
281 1 19 GLN QE 1 25 PHE H 2.500 . 3.000 2.906 2.367 3.178 0.178 23 0 "[ . 1 . 2 . 3]" 2
282 1 25 PHE HA 1 25 PHE QD 2.500 . 5.400 2.972 1.977 3.345 . 0 0 "[ . 1 . 2 . 3]" 2
283 1 25 PHE HB3 1 25 PHE QD 2.500 . 5.400 2.388 2.259 2.732 . 0 0 "[ . 1 . 2 . 3]" 2
284 1 25 PHE HB2 1 25 PHE QD 2.500 . 5.400 2.475 2.254 2.676 . 0 0 "[ . 1 . 2 . 3]" 2
285 1 25 PHE QD 1 59 ALA MB 3.500 . 7.700 3.422 2.504 4.009 . 0 0 "[ . 1 . 2 . 3]" 2
286 1 25 PHE HA 1 60 LEU H 4.500 . 5.400 4.458 3.988 4.811 . 0 0 "[ . 1 . 2 . 3]" 2
287 1 25 PHE HA 1 60 LEU HB3 4.500 . 5.400 4.993 4.630 5.231 . 0 0 "[ . 1 . 2 . 3]" 2
288 1 25 PHE HA 1 60 LEU HB2 4.500 . 5.400 5.424 5.086 5.569 0.169 13 0 "[ . 1 . 2 . 3]" 2
289 1 25 PHE HA 1 61 THR HB 3.500 . 4.500 4.437 3.607 4.651 0.151 12 0 "[ . 1 . 2 . 3]" 2
290 1 25 PHE HA 1 59 ALA MB 3.500 . 5.300 4.092 3.498 4.576 . 0 0 "[ . 1 . 2 . 3]" 2
291 1 25 PHE HA 1 61 THR HA 2.500 . 3.000 2.367 1.865 2.860 . 0 0 "[ . 1 . 2 . 3]" 2
292 1 25 PHE HB3 1 59 ALA MB 2.500 . 4.100 2.325 1.829 2.896 . 0 0 "[ . 1 . 2 . 3]" 2
293 1 25 PHE HB2 1 59 ALA MB 2.500 . 4.100 3.058 1.898 3.839 . 0 0 "[ . 1 . 2 . 3]" 2
294 1 25 PHE HB3 1 61 THR MG 3.500 . 5.300 3.815 2.906 5.278 . 0 0 "[ . 1 . 2 . 3]" 2
295 1 25 PHE HB2 1 61 THR MG 4.500 . 6.500 5.066 4.235 6.534 0.034 22 0 "[ . 1 . 2 . 3]" 2
296 1 26 ILE H 1 26 ILE HB 2.500 . 3.000 2.356 2.190 2.543 . 0 0 "[ . 1 . 2 . 3]" 2
297 1 26 ILE H 1 26 ILE QG 4.500 . 5.400 3.031 2.761 3.305 . 0 0 "[ . 1 . 2 . 3]" 2
298 1 26 ILE H 1 26 ILE MG 3.500 . 5.300 3.650 3.507 3.725 . 0 0 "[ . 1 . 2 . 3]" 2
299 1 26 ILE H 1 26 ILE MD 3.500 . 5.300 3.824 3.553 4.163 . 0 0 "[ . 1 . 2 . 3]" 2
300 1 26 ILE H 1 60 LEU HB3 4.500 . 6.500 3.615 3.190 3.969 . 0 0 "[ . 1 . 2 . 3]" 2
301 1 25 PHE HA 1 26 ILE H 2.500 . 3.000 2.167 2.097 2.260 . 0 0 "[ . 1 . 2 . 3]" 2
302 1 25 PHE QD 1 26 ILE H 3.500 . 6.600 4.459 3.961 4.871 . 0 0 "[ . 1 . 2 . 3]" 2
303 1 26 ILE H 1 60 LEU H . . 3.000 2.935 2.604 3.084 0.084 10 0 "[ . 1 . 2 . 3]" 2
304 1 26 ILE HA 1 27 PRO QD 3.500 . 5.300 1.907 1.823 2.003 . 0 0 "[ . 1 . 2 . 3]" 2
305 1 19 GLN H 1 26 ILE MD 4.500 . 6.500 3.379 2.965 3.983 . 0 0 "[ . 1 . 2 . 3]" 2
306 1 26 ILE MD 1 31 ALA HA 4.500 . 6.500 4.120 3.426 4.682 . 0 0 "[ . 1 . 2 . 3]" 2
307 1 26 ILE MD 1 65 PHE HB2 4.500 . 6.500 3.360 2.088 3.675 . 0 0 "[ . 1 . 2 . 3]" 2
308 1 26 ILE MD 1 60 LEU HB3 4.500 . 6.500 4.088 3.577 4.643 . 0 0 "[ . 1 . 2 . 3]" 2
309 1 26 ILE MD 1 60 LEU HB2 4.500 . 6.500 4.463 3.972 4.960 . 0 0 "[ . 1 . 2 . 3]" 2
310 1 19 GLN HB3 1 26 ILE MD 4.500 . 6.500 3.519 2.576 4.281 . 0 0 "[ . 1 . 2 . 3]" 2
311 1 18 ILE MG 1 26 ILE MD 2.500 . 5.200 2.251 1.713 2.747 0.087 2 0 "[ . 1 . 2 . 3]" 2
312 1 26 ILE MG 1 30 ALA MB 2.500 . 5.200 2.030 1.713 3.637 0.087 22 0 "[ . 1 . 2 . 3]" 2
313 1 26 ILE MG 1 31 ALA HA 3.500 . 5.300 2.981 2.178 3.633 . 0 0 "[ . 1 . 2 . 3]" 2
314 1 26 ILE MG 1 65 PHE HB2 3.500 . 5.300 5.110 4.124 5.309 0.009 18 0 "[ . 1 . 2 . 3]" 2
315 1 18 ILE MG 1 26 ILE MG 3.500 . 6.400 3.295 2.653 3.596 . 0 0 "[ . 1 . 2 . 3]" 2
316 1 18 ILE QG 1 26 ILE QG 3.500 . 4.200 4.130 3.491 4.289 0.089 7 0 "[ . 1 . 2 . 3]" 2
317 1 27 PRO HA 1 59 ALA HA 3.500 . 4.200 2.363 1.739 2.856 0.061 4 0 "[ . 1 . 2 . 3]" 2
318 1 27 PRO HA 1 59 ALA MB 2.500 . 4.100 3.064 2.040 3.515 . 0 0 "[ . 1 . 2 . 3]" 2
319 1 27 PRO QD 1 30 ALA MB 2.500 . 5.200 2.697 1.896 5.160 . 0 0 "[ . 1 . 2 . 3]" 2
320 1 27 PRO QB 1 30 ALA MB 4.500 . 7.600 4.217 3.519 6.341 . 0 0 "[ . 1 . 2 . 3]" 2
321 1 28 GLY H 1 28 GLY HA3 2.500 . 3.000 2.318 2.301 2.331 . 0 0 "[ . 1 . 2 . 3]" 2
322 1 28 GLY H 1 28 GLY HA2 2.500 . 3.000 2.753 2.728 2.852 . 0 0 "[ . 1 . 2 . 3]" 2
323 1 27 PRO HA 1 28 GLY H 2.500 . 3.000 2.287 2.217 2.498 . 0 0 "[ . 1 . 2 . 3]" 2
324 1 27 PRO QB 1 28 GLY H 3.500 . 5.300 2.956 2.541 3.201 . 0 0 "[ . 1 . 2 . 3]" 2
325 1 27 PRO QG 1 28 GLY H 3.500 . 5.300 4.466 4.182 4.623 . 0 0 "[ . 1 . 2 . 3]" 2
326 1 28 GLY H 1 59 ALA HA 2.500 . 3.500 3.405 3.047 3.574 0.074 7 0 "[ . 1 . 2 . 3]" 2
327 1 28 GLY H 1 59 ALA MB 3.500 . 5.300 4.489 3.997 4.774 . 0 0 "[ . 1 . 2 . 3]" 2
328 1 28 GLY HA3 1 31 ALA MB 2.500 . 4.100 3.937 3.611 4.124 0.024 29 0 "[ . 1 . 2 . 3]" 2
329 1 29 SER H 1 29 SER QB 3.500 . 5.300 2.409 2.219 2.781 . 0 0 "[ . 1 . 2 . 3]" 2
330 1 29 SER H 1 30 ALA H 4.500 . 5.400 2.860 2.368 3.509 . 0 0 "[ . 1 . 2 . 3]" 2
331 1 30 ALA H 1 30 ALA HA 2.500 . 3.000 2.828 2.772 2.882 . 0 0 "[ . 1 . 2 . 3]" 2
332 1 30 ALA H 1 30 ALA MB 2.500 . 4.100 2.112 2.027 2.269 . 0 0 "[ . 1 . 2 . 3]" 2
333 1 30 ALA H 1 31 ALA H 2.500 . 3.000 2.655 2.445 2.845 . 0 0 "[ . 1 . 2 . 3]" 2
334 1 30 ALA H 1 31 ALA MB 4.500 . 6.500 4.262 4.027 4.423 . 0 0 "[ . 1 . 2 . 3]" 2
335 1 30 ALA HA 1 33 GLU HB2 2.500 . 3.000 2.777 2.401 3.063 0.063 10 0 "[ . 1 . 2 . 3]" 2
336 1 30 ALA MB 1 31 ALA HA 3.500 . 5.300 3.732 3.616 3.920 . 0 0 "[ . 1 . 2 . 3]" 2
337 1 26 ILE QG 1 30 ALA H 4.500 . 5.400 5.522 5.444 5.636 0.236 12 0 "[ . 1 . 2 . 3]" 2
338 1 31 ALA H 1 31 ALA HA 2.500 . 3.000 2.779 2.695 2.831 . 0 0 "[ . 1 . 2 . 3]" 2
339 1 31 ALA H 1 31 ALA MB 2.500 . 4.100 2.153 2.026 2.243 . 0 0 "[ . 1 . 2 . 3]" 2
340 1 30 ALA MB 1 31 ALA H 2.500 . 4.100 2.594 2.263 3.013 . 0 0 "[ . 1 . 2 . 3]" 2
341 1 30 ALA HA 1 31 ALA H 3.500 . 5.300 3.540 3.412 3.575 . 0 0 "[ . 1 . 2 . 3]" 2
342 1 31 ALA H 1 32 LYS H 2.500 . 3.000 2.871 2.647 3.090 0.090 4 0 "[ . 1 . 2 . 3]" 2
343 1 31 ALA H 1 33 GLU H 4.500 . 5.400 4.384 4.103 4.725 . 0 0 "[ . 1 . 2 . 3]" 2
344 1 31 ALA HA 1 34 PHE HB3 3.500 . 4.200 3.354 3.071 3.602 . 0 0 "[ . 1 . 2 . 3]" 2
345 1 31 ALA HA 1 34 PHE HB2 2.500 . 3.000 2.977 2.757 3.058 0.058 27 0 "[ . 1 . 2 . 3]" 2
346 1 32 LYS H 1 32 LYS HA 2.500 . 3.000 2.789 2.742 2.837 . 0 0 "[ . 1 . 2 . 3]" 2
347 1 32 LYS H 1 32 LYS HB3 2.500 . 3.200 3.299 3.224 3.544 0.344 17 0 "[ . 1 . 2 . 3]" 2
348 1 32 LYS H 1 32 LYS HB2 2.500 . 3.000 2.063 2.008 2.490 . 0 0 "[ . 1 . 2 . 3]" 2
349 1 32 LYS H 1 32 LYS QG 4.500 . 6.500 3.533 2.129 3.880 . 0 0 "[ . 1 . 2 . 3]" 2
350 1 32 LYS H 1 32 LYS QD 2.500 . 4.100 3.423 2.256 4.295 0.195 12 0 "[ . 1 . 2 . 3]" 2
351 1 31 ALA HA 1 32 LYS H 3.500 . 4.200 3.570 3.527 3.605 . 0 0 "[ . 1 . 2 . 3]" 2
352 1 30 ALA HA 1 32 LYS H 4.500 . 5.400 4.594 4.020 4.905 . 0 0 "[ . 1 . 2 . 3]" 2
353 1 30 ALA MB 1 32 LYS H 4.500 . 6.500 4.668 4.415 4.848 . 0 0 "[ . 1 . 2 . 3]" 2
354 1 31 ALA MB 1 32 LYS H 2.500 . 4.100 2.433 2.263 2.612 . 0 0 "[ . 1 . 2 . 3]" 2
355 1 32 LYS H 1 33 GLU H 2.500 . 3.000 2.831 2.720 2.984 . 0 0 "[ . 1 . 2 . 3]" 2
356 1 32 LYS H 1 34 PHE H 4.500 . 5.400 4.278 4.101 4.520 . 0 0 "[ . 1 . 2 . 3]" 2
357 1 33 GLU H 1 33 GLU HA 2.500 . 3.000 2.798 2.759 2.827 . 0 0 "[ . 1 . 2 . 3]" 2
358 1 33 GLU H 1 33 GLU HB3 2.500 . 3.300 3.366 3.242 3.485 0.185 18 0 "[ . 1 . 2 . 3]" 2
359 1 33 GLU H 1 33 GLU HB2 2.500 . 3.000 2.097 2.027 2.239 . 0 0 "[ . 1 . 2 . 3]" 2
360 1 33 GLU H 1 33 GLU QG 3.500 . 5.300 3.272 2.631 3.728 . 0 0 "[ . 1 . 2 . 3]" 2
361 1 32 LYS HA 1 33 GLU H 3.500 . 4.200 3.573 3.540 3.597 . 0 0 "[ . 1 . 2 . 3]" 2
362 1 32 LYS HB3 1 33 GLU H 3.500 . 4.200 2.732 2.493 3.374 . 0 0 "[ . 1 . 2 . 3]" 2
363 1 32 LYS HB2 1 33 GLU H 3.500 . 4.200 2.938 2.282 3.215 . 0 0 "[ . 1 . 2 . 3]" 2
364 1 32 LYS QD 1 33 GLU H 4.500 . 6.500 4.733 4.255 5.228 . 0 0 "[ . 1 . 2 . 3]" 2
365 1 33 GLU H 1 34 PHE H 2.500 . 3.000 2.782 2.680 2.925 . 0 0 "[ . 1 . 2 . 3]" 2
366 1 33 GLU H 1 35 PHE H 4.500 . 5.400 4.420 4.297 4.571 . 0 0 "[ . 1 . 2 . 3]" 2
367 1 34 PHE H 1 34 PHE HA 2.500 . 3.000 2.782 2.726 2.825 . 0 0 "[ . 1 . 2 . 3]" 2
368 1 34 PHE H 1 34 PHE HB3 2.500 . 3.000 3.126 3.022 3.193 0.193 1 0 "[ . 1 . 2 . 3]" 2
369 1 34 PHE H 1 34 PHE HB2 2.500 . 3.000 2.041 1.998 2.100 . 0 0 "[ . 1 . 2 . 3]" 2
370 1 33 GLU HA 1 34 PHE H 3.500 . 4.200 3.557 3.530 3.589 . 0 0 "[ . 1 . 2 . 3]" 2
371 1 33 GLU HB3 1 34 PHE H 2.500 . 3.000 2.892 2.552 3.122 0.122 14 0 "[ . 1 . 2 . 3]" 2
372 1 33 GLU HB2 1 34 PHE H 2.500 . 3.000 2.857 2.380 3.106 0.106 9 0 "[ . 1 . 2 . 3]" 2
373 1 18 ILE MD 1 34 PHE H 4.500 . 7.000 5.575 4.706 6.772 . 0 0 "[ . 1 . 2 . 3]" 2
374 1 34 PHE H 1 35 PHE H 2.500 . 3.000 2.853 2.761 2.986 . 0 0 "[ . 1 . 2 . 3]" 2
375 1 34 PHE H 1 36 THR H 4.500 . 5.400 4.152 3.888 4.552 . 0 0 "[ . 1 . 2 . 3]" 2
376 1 34 PHE HA 1 34 PHE QD 2.500 . 5.400 2.670 2.039 3.005 . 0 0 "[ . 1 . 2 . 3]" 2
377 1 34 PHE QB 1 34 PHE QD 2.500 . 6.500 2.146 2.120 2.258 . 0 0 "[ . 1 . 2 . 3]" 2
378 1 18 ILE MG 1 34 PHE QD 4.500 . 8.900 5.037 4.057 5.774 . 0 0 "[ . 1 . 2 . 3]" 2
379 1 18 ILE MD 1 34 PHE QD 2.500 . 6.500 2.933 1.943 3.849 . 0 0 "[ . 1 . 2 . 3]" 2
380 1 34 PHE QD 1 35 PHE QB 4.500 . 8.900 5.561 5.411 5.678 . 0 0 "[ . 1 . 2 . 3]" 2
381 1 34 PHE HA 1 34 PHE QE 4.500 . 7.800 4.326 4.103 4.456 . 0 0 "[ . 1 . 2 . 3]" 2
382 1 18 ILE MG 1 34 PHE QE 4.500 . 8.900 4.879 4.026 5.618 . 0 0 "[ . 1 . 2 . 3]" 2
383 1 34 PHE QE 1 35 PHE QE 2.500 . 7.800 6.578 5.541 7.432 . 0 0 "[ . 1 . 2 . 3]" 2
384 1 15 PHE HZ 1 34 PHE QE 3.500 . 6.800 4.610 3.624 5.300 . 0 0 "[ . 1 . 2 . 3]" 2
385 1 15 PHE HZ 1 34 PHE HZ 4.500 . 6.500 6.126 5.475 6.533 0.033 5 0 "[ . 1 . 2 . 3]" 2
386 1 31 ALA HA 1 34 PHE QD 3.500 . 6.600 4.478 3.831 4.776 . 0 0 "[ . 1 . 2 . 3]" 2
387 1 31 ALA MB 1 34 PHE QD 4.500 . 8.900 5.466 5.001 5.683 . 0 0 "[ . 1 . 2 . 3]" 2
388 1 35 PHE H 1 35 PHE HA 2.500 . 3.000 2.803 2.749 2.856 . 0 0 "[ . 1 . 2 . 3]" 2
389 1 35 PHE H 1 35 PHE HB3 2.500 . 3.500 3.555 3.504 3.597 0.097 7 0 "[ . 1 . 2 . 3]" 2
390 1 35 PHE H 1 35 PHE HB2 2.500 . 3.000 2.312 2.200 2.446 . 0 0 "[ . 1 . 2 . 3]" 2
391 1 34 PHE HB3 1 35 PHE H 2.500 . 3.000 2.387 2.261 2.463 . 0 0 "[ . 1 . 2 . 3]" 2
392 1 34 PHE HB2 1 35 PHE H 2.500 . 3.000 3.090 3.029 3.162 0.162 19 0 "[ . 1 . 2 . 3]" 2
393 1 34 PHE QD 1 35 PHE H 2.500 . 5.400 4.217 4.072 4.290 . 0 0 "[ . 1 . 2 . 3]" 2
394 1 35 PHE H 1 35 PHE QD 2.500 . 5.400 2.465 1.961 3.163 . 0 0 "[ . 1 . 2 . 3]" 2
395 1 35 PHE H 1 36 THR H 2.500 . 3.000 2.761 2.620 2.856 . 0 0 "[ . 1 . 2 . 3]" 2
396 1 35 PHE HA 1 45 LEU MD1 4.500 . 6.500 4.893 4.077 5.713 . 0 0 "[ . 1 . 2 . 3]" 2
397 1 35 PHE HA 1 45 LEU MD2 4.500 . 6.500 4.333 3.753 5.117 . 0 0 "[ . 1 . 2 . 3]" 2
398 1 35 PHE HB3 1 45 LEU MD1 3.500 . 5.300 2.935 2.020 3.766 . 0 0 "[ . 1 . 2 . 3]" 2
399 1 35 PHE HB3 1 45 LEU MD2 4.500 . 6.500 2.469 1.737 3.307 0.063 6 0 "[ . 1 . 2 . 3]" 2
400 1 35 PHE HB2 1 45 LEU MD2 4.500 . 6.500 2.504 1.807 4.455 . 0 0 "[ . 1 . 2 . 3]" 2
401 1 35 PHE HB2 1 45 LEU MD1 3.500 . 5.300 3.597 1.719 4.513 0.081 20 0 "[ . 1 . 2 . 3]" 2
402 1 35 PHE HB3 1 72 VAL MG1 4.500 . 6.500 4.306 3.412 5.078 . 0 0 "[ . 1 . 2 . 3]" 2
403 1 35 PHE HB2 1 72 VAL MG1 4.500 . 6.500 5.620 4.689 6.360 . 0 0 "[ . 1 . 2 . 3]" 2
404 1 35 PHE HA 1 35 PHE QD 2.500 . 5.400 2.623 2.101 3.064 . 0 0 "[ . 1 . 2 . 3]" 2
405 1 35 PHE HB3 1 35 PHE QD 2.500 . 5.400 2.414 2.290 2.676 . 0 0 "[ . 1 . 2 . 3]" 2
406 1 35 PHE HB2 1 35 PHE QD 2.500 . 5.400 2.495 2.272 2.760 . 0 0 "[ . 1 . 2 . 3]" 2
407 1 35 PHE QD 1 72 VAL MG1 2.500 . 6.500 3.012 2.025 3.918 . 0 0 "[ . 1 . 2 . 3]" 2
408 1 35 PHE QD 1 72 VAL MG2 2.500 . 6.500 3.063 2.097 4.028 . 0 0 "[ . 1 . 2 . 3]" 2
409 1 35 PHE QD 1 68 ALA MB 4.500 . 8.900 4.832 4.273 5.587 . 0 0 "[ . 1 . 2 . 3]" 2
410 1 35 PHE HB3 1 35 PHE QE 4.500 . 7.800 4.409 4.372 4.480 . 0 0 "[ . 1 . 2 . 3]" 2
411 1 35 PHE HB2 1 35 PHE QE 4.500 . 7.800 4.434 4.370 4.505 . 0 0 "[ . 1 . 2 . 3]" 2
412 1 35 PHE QE 1 69 PHE H 3.500 . 6.600 4.398 3.760 5.025 . 0 0 "[ . 1 . 2 . 3]" 2
413 1 35 PHE QE 1 69 PHE HA 2.500 . 5.400 2.954 1.953 4.132 . 0 0 "[ . 1 . 2 . 3]" 2
414 1 35 PHE QE 1 69 PHE QB 2.500 . 6.500 4.092 3.435 4.879 . 0 0 "[ . 1 . 2 . 3]" 2
415 1 35 PHE QE 1 65 PHE HA 4.500 . 7.800 4.784 4.219 5.465 . 0 0 "[ . 1 . 2 . 3]" 2
416 1 35 PHE QE 1 60 LEU MD2 2.500 . 5.400 3.524 2.457 4.524 . 0 0 "[ . 1 . 2 . 3]" 2
417 1 35 PHE QE 1 68 ALA MB 2.500 . 6.500 3.171 2.455 3.983 . 0 0 "[ . 1 . 2 . 3]" 2
418 1 35 PHE QE 1 72 VAL MG1 3.500 . 7.700 3.318 2.520 4.018 . 0 0 "[ . 1 . 2 . 3]" 2
419 1 35 PHE QE 1 72 VAL MG2 3.500 . 7.700 2.114 1.737 2.979 0.063 26 0 "[ . 1 . 2 . 3]" 2
420 1 35 PHE HZ 1 69 PHE HA 3.500 . 4.200 3.322 2.616 4.192 . 0 0 "[ . 1 . 2 . 3]" 2
421 1 35 PHE HZ 1 69 PHE QB 3.500 . 5.300 3.673 2.678 4.997 . 0 0 "[ . 1 . 2 . 3]" 2
422 1 35 PHE HZ 1 69 PHE H 3.500 . 4.200 3.563 2.756 4.208 0.008 7 0 "[ . 1 . 2 . 3]" 2
423 1 35 PHE HZ 1 65 PHE HA 4.500 . 5.400 4.257 3.672 5.285 . 0 0 "[ . 1 . 2 . 3]" 2
424 1 35 PHE HZ 1 60 LEU MD2 3.500 . 5.300 3.996 3.310 4.788 . 0 0 "[ . 1 . 2 . 3]" 2
425 1 35 PHE HZ 1 68 ALA MB 2.500 . 4.100 2.546 1.787 3.426 0.013 18 0 "[ . 1 . 2 . 3]" 2
426 1 35 PHE HZ 1 72 VAL MG1 3.500 . 5.300 5.049 4.380 5.356 0.056 27 0 "[ . 1 . 2 . 3]" 2
427 1 15 PHE QD 1 35 PHE HZ 3.500 . 6.800 6.236 5.709 6.693 . 0 0 "[ . 1 . 2 . 3]" 2
428 1 15 PHE QD 1 35 PHE QE 4.500 . 10.000 5.429 4.476 6.743 . 0 0 "[ . 1 . 2 . 3]" 2
429 1 31 ALA HA 1 35 PHE QD 3.500 . 6.600 3.227 2.380 4.227 . 0 0 "[ . 1 . 2 . 3]" 2
430 1 31 ALA MB 1 35 PHE QE 2.500 . 6.500 3.120 1.723 4.806 0.077 7 0 "[ . 1 . 2 . 3]" 2
431 1 31 ALA MB 1 35 PHE HZ 4.500 . 6.500 4.675 3.715 5.725 . 0 0 "[ . 1 . 2 . 3]" 2
432 1 36 THR H 1 36 THR HA 2.500 . 3.000 2.728 2.700 2.767 . 0 0 "[ . 1 . 2 . 3]" 2
433 1 36 THR H 1 36 THR HB 2.500 . 3.000 2.597 2.363 2.698 . 0 0 "[ . 1 . 2 . 3]" 2
434 1 36 THR H 1 36 THR MG 2.500 . 4.100 3.785 3.732 3.803 . 0 0 "[ . 1 . 2 . 3]" 2
435 1 35 PHE HA 1 36 THR H 3.500 . 4.200 3.542 3.480 3.585 . 0 0 "[ . 1 . 2 . 3]" 2
436 1 35 PHE HB3 1 36 THR H 3.500 . 4.200 3.417 3.071 3.869 . 0 0 "[ . 1 . 2 . 3]" 2
437 1 35 PHE HB2 1 36 THR H 3.500 . 4.200 2.732 2.381 3.147 . 0 0 "[ . 1 . 2 . 3]" 2
438 1 34 PHE QD 1 36 THR H 4.500 . 7.800 5.930 5.302 6.316 . 0 0 "[ . 1 . 2 . 3]" 2
439 1 35 PHE QD 1 36 THR H 4.500 . 7.800 4.376 4.124 4.660 . 0 0 "[ . 1 . 2 . 3]" 2
440 1 33 GLU HA 1 36 THR H 3.500 . 4.200 3.666 3.313 4.119 . 0 0 "[ . 1 . 2 . 3]" 2
441 1 36 THR H 1 45 LEU MD1 4.500 . 6.500 4.384 3.396 5.281 . 0 0 "[ . 1 . 2 . 3]" 2
442 1 36 THR H 1 45 LEU MD2 4.500 . 6.500 3.128 1.864 4.553 . 0 0 "[ . 1 . 2 . 3]" 2
443 1 36 THR HA 1 45 LEU MD2 2.500 . 4.100 2.897 1.868 4.121 0.021 3 0 "[ . 1 . 2 . 3]" 2
444 1 36 THR HA 1 45 LEU MD1 3.500 . 5.300 3.717 2.327 4.933 . 0 0 "[ . 1 . 2 . 3]" 2
445 1 36 THR HB 1 45 LEU MD1 4.500 . 6.500 5.780 4.526 6.555 0.055 15 0 "[ . 1 . 2 . 3]" 2
446 1 36 THR HB 1 45 LEU MD2 4.500 . 6.500 4.595 3.165 6.051 . 0 0 "[ . 1 . 2 . 3]" 2
447 1 37 LYS H 1 37 LYS HA 2.500 . 3.000 2.768 2.714 2.838 . 0 0 "[ . 1 . 2 . 3]" 2
448 1 37 LYS H 1 37 LYS HB3 3.500 . 4.200 3.544 3.251 3.624 . 0 0 "[ . 1 . 2 . 3]" 2
449 1 37 LYS H 1 37 LYS HB2 3.500 . 4.200 2.400 2.024 2.801 . 0 0 "[ . 1 . 2 . 3]" 2
450 1 37 LYS H 1 37 LYS QG 3.500 . 5.300 2.486 1.811 3.392 . 0 0 "[ . 1 . 2 . 3]" 2
451 1 37 LYS H 1 37 LYS QD 4.500 . 6.500 3.894 1.946 4.848 . 0 0 "[ . 1 . 2 . 3]" 2
452 1 36 THR HA 1 37 LYS H 3.500 . 4.200 3.548 3.511 3.594 . 0 0 "[ . 1 . 2 . 3]" 2
453 1 36 THR HB 1 37 LYS H 4.500 . 5.400 2.602 2.379 2.849 . 0 0 "[ . 1 . 2 . 3]" 2
454 1 36 THR MG 1 37 LYS H 4.500 . 6.500 3.333 2.859 3.643 . 0 0 "[ . 1 . 2 . 3]" 2
455 1 36 THR H 1 37 LYS H 3.500 . 4.200 2.941 2.783 3.051 . 0 0 "[ . 1 . 2 . 3]" 2
456 1 37 LYS H 1 38 SER H 4.500 . 5.400 2.775 2.585 2.945 . 0 0 "[ . 1 . 2 . 3]" 2
457 1 38 SER H 1 38 SER HA 2.500 . 3.000 2.797 2.729 2.849 . 0 0 "[ . 1 . 2 . 3]" 2
458 1 38 SER H 1 38 SER QB 3.500 . 5.300 2.382 2.228 2.701 . 0 0 "[ . 1 . 2 . 3]" 2
459 1 37 LYS HA 1 38 SER H 2.500 . 3.500 3.495 3.437 3.532 0.032 15 0 "[ . 1 . 2 . 3]" 2
460 1 37 LYS QB 1 38 SER H 4.500 . 6.300 2.785 2.430 3.090 . 0 0 "[ . 1 . 2 . 3]" 2
461 1 37 LYS QG 1 38 SER H 4.500 . 6.300 4.258 3.793 4.597 . 0 0 "[ . 1 . 2 . 3]" 2
462 1 37 LYS QD 1 38 SER H 4.500 . 6.300 5.028 4.126 5.630 . 0 0 "[ . 1 . 2 . 3]" 2
463 1 36 THR HA 1 38 SER H 3.500 . 4.200 3.980 3.784 4.177 . 0 0 "[ . 1 . 2 . 3]" 2
464 1 38 SER H 1 39 LYS H 2.500 . 3.000 2.846 2.676 3.136 0.136 7 0 "[ . 1 . 2 . 3]" 2
465 1 36 THR H 1 38 SER H 4.500 . 5.400 4.249 3.967 4.580 . 0 0 "[ . 1 . 2 . 3]" 2
466 1 39 LYS H 1 39 LYS HA 2.500 . 3.000 2.522 2.269 2.773 . 0 0 "[ . 1 . 2 . 3]" 2
467 1 39 LYS H 1 39 LYS QB 3.500 . 5.300 3.049 2.828 3.210 . 0 0 "[ . 1 . 2 . 3]" 2
468 1 39 LYS H 1 39 LYS QG 4.500 . 6.500 4.149 3.344 4.516 . 0 0 "[ . 1 . 2 . 3]" 2
469 1 39 LYS H 1 39 LYS QD 3.500 . 5.300 4.892 2.813 5.488 0.188 26 0 "[ . 1 . 2 . 3]" 2
470 1 38 SER HA 1 39 LYS H 4.500 . 5.400 3.456 2.877 3.593 . 0 0 "[ . 1 . 2 . 3]" 2
471 1 39 LYS H 1 40 LEU H 2.500 . 3.000 2.536 2.235 2.868 . 0 0 "[ . 1 . 2 . 3]" 2
472 1 40 LEU H 1 40 LEU HB3 3.500 . 4.200 3.542 3.285 3.629 . 0 0 "[ . 1 . 2 . 3]" 2
473 1 40 LEU H 1 40 LEU HB2 2.500 . 3.000 2.356 2.143 2.618 . 0 0 "[ . 1 . 2 . 3]" 2
474 1 40 LEU H 1 40 LEU HG 3.500 . 5.300 3.274 2.192 4.499 . 0 0 "[ . 1 . 2 . 3]" 2
475 1 40 LEU H 1 40 LEU QD 2.500 . 5.100 2.520 1.639 3.399 0.161 16 0 "[ . 1 . 2 . 3]" 2
476 1 39 LYS HA 1 40 LEU H 3.500 . 4.200 3.326 2.830 3.584 . 0 0 "[ . 1 . 2 . 3]" 2
477 1 39 LYS QB 1 40 LEU H 3.500 . 5.300 2.986 2.202 3.816 . 0 0 "[ . 1 . 2 . 3]" 2
478 1 40 LEU H 1 45 LEU MD1 4.500 . 6.500 4.218 3.078 5.960 . 0 0 "[ . 1 . 2 . 3]" 2
479 1 40 LEU H 1 45 LEU MD2 4.500 . 6.500 4.841 3.697 5.776 . 0 0 "[ . 1 . 2 . 3]" 2
480 1 40 LEU HA 1 41 PRO QD 3.500 . 5.300 2.005 1.902 2.168 . 0 0 "[ . 1 . 2 . 3]" 2
481 1 41 PRO HA 1 41 PRO QD 2.500 . 4.100 3.376 3.253 3.441 . 0 0 "[ . 1 . 2 . 3]" 2
482 1 40 LEU QD 1 41 PRO QD 3.500 . 7.500 2.845 1.930 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
483 1 40 LEU QD 1 41 PRO HA 4.500 . 7.500 5.433 4.860 5.690 . 0 0 "[ . 1 . 2 . 3]" 2
484 1 40 LEU HB3 1 41 PRO QD 3.500 . 5.300 2.583 1.879 3.082 . 0 0 "[ . 1 . 2 . 3]" 2
485 1 40 LEU HB2 1 41 PRO QD 4.500 . 6.500 3.845 3.419 4.094 . 0 0 "[ . 1 . 2 . 3]" 2
486 1 42 ILE H 1 42 ILE HA 2.500 . 3.000 2.715 2.615 2.774 . 0 0 "[ . 1 . 2 . 3]" 2
487 1 42 ILE H 1 42 ILE HB 2.500 . 3.000 2.645 2.431 2.887 . 0 0 "[ . 1 . 2 . 3]" 2
488 1 42 ILE H 1 42 ILE QG 3.500 . 5.300 2.714 1.808 3.988 . 0 0 "[ . 1 . 2 . 3]" 2
489 1 42 ILE H 1 42 ILE MG 3.500 . 5.300 3.372 2.093 3.797 . 0 0 "[ . 1 . 2 . 3]" 2
490 1 41 PRO HA 1 42 ILE H 2.500 . 3.000 2.191 2.141 2.297 . 0 0 "[ . 1 . 2 . 3]" 2
491 1 41 PRO QB 1 42 ILE H 3.500 . 5.300 3.161 2.715 3.614 . 0 0 "[ . 1 . 2 . 3]" 2
492 1 41 PRO QG 1 42 ILE H 4.500 . 6.500 4.568 4.258 4.778 . 0 0 "[ . 1 . 2 . 3]" 2
493 1 42 ILE HA 1 45 LEU HB3 2.500 . 3.200 3.219 3.074 3.327 0.127 2 0 "[ . 1 . 2 . 3]" 2
494 1 42 ILE HA 1 45 LEU HB2 3.500 . 4.200 1.923 1.741 2.478 0.059 12 0 "[ . 1 . 2 . 3]" 2
495 1 43 LEU H 1 43 LEU HB3 3.500 . 4.200 2.847 2.474 3.309 . 0 0 "[ . 1 . 2 . 3]" 2
496 1 43 LEU H 1 43 LEU HB2 3.500 . 4.200 2.258 2.020 2.524 . 0 0 "[ . 1 . 2 . 3]" 2
497 1 43 LEU H 1 43 LEU HG 3.500 . 5.300 4.400 3.501 4.569 . 0 0 "[ . 1 . 2 . 3]" 2
498 1 43 LEU H 1 43 LEU QD 3.500 . 6.300 3.409 2.591 3.717 . 0 0 "[ . 1 . 2 . 3]" 2
499 1 42 ILE HB 1 43 LEU H 4.500 . 5.400 3.106 2.596 4.102 . 0 0 "[ . 1 . 2 . 3]" 2
500 1 42 ILE HA 1 43 LEU H 4.500 . 5.400 3.509 3.438 3.554 . 0 0 "[ . 1 . 2 . 3]" 2
501 1 42 ILE MG 1 43 LEU H 4.500 . 6.500 3.217 1.763 3.850 0.037 7 0 "[ . 1 . 2 . 3]" 2
502 1 43 LEU H 1 44 GLU H 4.500 . 5.400 3.094 2.655 3.480 . 0 0 "[ . 1 . 2 . 3]" 2
503 1 43 LEU HA 1 46 SER QB 2.500 . 4.100 3.600 2.814 4.121 0.021 17 0 "[ . 1 . 2 . 3]" 2
504 1 44 GLU H 1 44 GLU HA 2.500 . 3.000 2.818 2.741 2.895 . 0 0 "[ . 1 . 2 . 3]" 2
505 1 44 GLU H 1 44 GLU HB3 3.500 . 4.200 3.566 3.416 3.625 . 0 0 "[ . 1 . 2 . 3]" 2
506 1 44 GLU H 1 44 GLU HB2 3.500 . 4.200 2.407 2.112 2.812 . 0 0 "[ . 1 . 2 . 3]" 2
507 1 44 GLU H 1 44 GLU QG 3.500 . 5.300 2.653 1.874 3.703 . 0 0 "[ . 1 . 2 . 3]" 2
508 1 43 LEU HA 1 44 GLU H 3.500 . 4.200 3.562 3.522 3.606 . 0 0 "[ . 1 . 2 . 3]" 2
509 1 43 LEU HB3 1 44 GLU H 2.500 . 3.000 2.139 1.681 2.573 0.119 17 0 "[ . 1 . 2 . 3]" 2
510 1 43 LEU HG 1 44 GLU H 3.500 . 5.300 4.093 2.638 4.949 . 0 0 "[ . 1 . 2 . 3]" 2
511 1 43 LEU QD 1 44 GLU H 3.500 . 6.300 3.298 2.424 3.882 . 0 0 "[ . 1 . 2 . 3]" 2
512 1 44 GLU H 1 45 LEU H 2.500 . 3.000 2.639 2.397 2.873 . 0 0 "[ . 1 . 2 . 3]" 2
513 1 44 GLU H 1 46 SER H 4.500 . 5.400 4.266 4.043 4.649 . 0 0 "[ . 1 . 2 . 3]" 2
514 1 44 GLU HA 1 47 HIS QB 3.500 . 5.300 3.147 2.243 3.736 . 0 0 "[ . 1 . 2 . 3]" 2
515 1 44 GLU HA 1 47 HIS H 3.500 . 5.300 3.467 2.982 3.838 . 0 0 "[ . 1 . 2 . 3]" 2
516 1 45 LEU H 1 45 LEU HA 2.500 . 3.000 2.749 2.707 2.800 . 0 0 "[ . 1 . 2 . 3]" 2
517 1 45 LEU H 1 45 LEU HB3 3.500 . 4.200 3.499 3.306 3.566 . 0 0 "[ . 1 . 2 . 3]" 2
518 1 45 LEU H 1 45 LEU HB2 2.500 . 3.000 2.211 2.034 2.326 . 0 0 "[ . 1 . 2 . 3]" 2
519 1 45 LEU H 1 45 LEU HG 2.500 . 4.100 3.847 3.139 4.185 0.085 24 0 "[ . 1 . 2 . 3]" 2
520 1 45 LEU H 1 45 LEU QD 3.500 . 6.300 2.163 1.695 3.516 0.105 26 0 "[ . 1 . 2 . 3]" 2
521 1 44 GLU HA 1 45 LEU H 3.500 . 4.200 3.526 3.476 3.564 . 0 0 "[ . 1 . 2 . 3]" 2
522 1 44 GLU HB3 1 45 LEU H 3.500 . 4.200 3.535 2.902 3.895 . 0 0 "[ . 1 . 2 . 3]" 2
523 1 44 GLU HB2 1 45 LEU H 3.500 . 4.200 2.670 2.353 3.035 . 0 0 "[ . 1 . 2 . 3]" 2
524 1 44 GLU QG 1 45 LEU H 4.500 . 6.500 4.194 3.607 4.535 . 0 0 "[ . 1 . 2 . 3]" 2
525 1 45 LEU H 1 46 SER H 2.500 . 3.000 2.869 2.689 3.034 0.034 9 0 "[ . 1 . 2 . 3]" 2
526 1 45 LEU HA 1 48 ILE HB 3.500 . 4.200 2.833 2.440 3.097 . 0 0 "[ . 1 . 2 . 3]" 2
527 1 45 LEU HA 1 48 ILE MG 2.500 . 4.100 4.047 3.740 4.191 0.091 5 0 "[ . 1 . 2 . 3]" 2
528 1 46 SER H 1 46 SER HA 2.500 . 3.000 2.789 2.714 2.864 . 0 0 "[ . 1 . 2 . 3]" 2
529 1 46 SER H 1 46 SER QB 2.500 . 4.100 2.375 2.211 2.674 . 0 0 "[ . 1 . 2 . 3]" 2
530 1 45 LEU HA 1 46 SER H 3.500 . 4.300 3.537 3.439 3.590 . 0 0 "[ . 1 . 2 . 3]" 2
531 1 45 LEU HB3 1 46 SER H 3.500 . 4.200 3.228 2.799 3.706 . 0 0 "[ . 1 . 2 . 3]" 2
532 1 45 LEU HB2 1 46 SER H 3.500 . 4.200 2.876 2.668 3.260 . 0 0 "[ . 1 . 2 . 3]" 2
533 1 45 LEU HG 1 46 SER H 4.500 . 5.400 5.079 4.907 5.447 0.047 20 0 "[ . 1 . 2 . 3]" 2
534 1 45 LEU MD1 1 46 SER H 4.500 . 6.500 4.297 4.021 4.707 . 0 0 "[ . 1 . 2 . 3]" 2
535 1 45 LEU MD2 1 46 SER H 4.500 . 6.500 4.579 4.070 4.980 . 0 0 "[ . 1 . 2 . 3]" 2
536 1 46 SER H 1 47 HIS H 2.500 . 3.000 2.864 2.630 3.057 0.057 29 0 "[ . 1 . 2 . 3]" 2
537 1 43 LEU QD 1 46 SER H 4.500 . 7.500 4.791 3.983 5.312 . 0 0 "[ . 1 . 2 . 3]" 2
538 1 43 LEU HA 1 46 SER H 3.500 . 4.200 3.901 3.624 4.157 . 0 0 "[ . 1 . 2 . 3]" 2
539 1 46 SER HA 1 49 TRP HB3 3.500 . 4.200 3.252 2.738 3.862 . 0 0 "[ . 1 . 2 . 3]" 2
540 1 46 SER HA 1 49 TRP HB2 3.500 . 4.200 3.733 3.122 4.090 . 0 0 "[ . 1 . 2 . 3]" 2
541 1 45 LEU HB2 1 46 SER QB 3.500 . 5.300 4.719 4.328 5.271 . 0 0 "[ . 1 . 2 . 3]" 2
542 1 45 LEU HB3 1 46 SER QB 4.500 . 6.500 4.807 4.178 5.399 . 0 0 "[ . 1 . 2 . 3]" 2
543 1 47 HIS H 1 47 HIS HA 2.500 . 3.000 2.785 2.732 2.858 . 0 0 "[ . 1 . 2 . 3]" 2
544 1 47 HIS H 1 47 HIS QB 2.500 . 4.100 2.248 2.185 2.291 . 0 0 "[ . 1 . 2 . 3]" 2
545 1 46 SER HA 1 47 HIS H 3.500 . 4.200 3.566 3.522 3.602 . 0 0 "[ . 1 . 2 . 3]" 2
546 1 46 SER QB 1 47 HIS H 2.500 . 4.100 2.465 2.173 3.152 . 0 0 "[ . 1 . 2 . 3]" 2
547 1 47 HIS H 1 48 ILE H 2.500 . 3.000 2.773 2.634 2.934 . 0 0 "[ . 1 . 2 . 3]" 2
548 1 47 HIS QB 1 47 HIS HD2 2.500 . 4.100 2.607 2.587 2.662 . 0 0 "[ . 1 . 2 . 3]" 2
549 1 47 HIS QB 1 47 HIS HE1 4.500 . 6.500 4.525 4.476 4.555 . 0 0 "[ . 1 . 2 . 3]" 2
550 1 47 HIS HD2 1 51 LEU MD2 3.500 . 5.300 3.665 2.220 5.277 . 0 0 "[ . 1 . 2 . 3]" 2
551 1 47 HIS HD2 1 51 LEU MD1 4.500 . 6.500 4.367 2.187 6.369 . 0 0 "[ . 1 . 2 . 3]" 2
552 1 47 HIS HD2 1 48 ILE QG 4.500 . 6.500 3.887 3.175 4.500 . 0 0 "[ . 1 . 2 . 3]" 2
553 1 47 HIS HD2 1 51 LEU HG 4.500 . 6.500 5.210 3.770 6.478 . 0 0 "[ . 1 . 2 . 3]" 2
554 1 47 HIS HD2 1 48 ILE MG 4.500 . 6.500 5.540 5.136 6.162 . 0 0 "[ . 1 . 2 . 3]" 2
555 1 47 HIS HD2 1 48 ILE H 4.500 . 5.400 4.179 3.659 4.676 . 0 0 "[ . 1 . 2 . 3]" 2
556 1 47 HIS HD2 1 81 LEU QD 3.500 . 6.600 2.978 1.726 4.775 0.074 7 0 "[ . 1 . 2 . 3]" 2
557 1 47 HIS HD2 1 81 LEU HB3 3.500 . 5.200 3.975 2.371 5.224 0.024 10 0 "[ . 1 . 2 . 3]" 2
558 1 47 HIS HD2 1 81 LEU HB2 3.500 . 5.200 4.037 2.016 5.263 0.063 6 0 "[ . 1 . 2 . 3]" 2
559 1 47 HIS HE1 1 51 LEU MD1 3.500 . 5.300 3.107 1.816 4.711 . 0 0 "[ . 1 . 2 . 3]" 2
560 1 47 HIS HE1 1 51 LEU MD2 3.500 . 5.300 2.901 1.776 4.096 0.024 6 0 "[ . 1 . 2 . 3]" 2
561 1 47 HIS HE1 1 81 LEU QD 4.500 . 7.500 5.041 3.844 6.342 . 0 0 "[ . 1 . 2 . 3]" 2
562 1 47 HIS HE1 1 51 LEU HG 4.500 . 6.500 4.184 2.948 5.438 . 0 0 "[ . 1 . 2 . 3]" 2
563 1 47 HIS HE1 1 81 LEU HB3 4.500 . 6.400 5.048 3.590 6.484 0.084 11 0 "[ . 1 . 2 . 3]" 2
564 1 47 HIS HA 1 50 GLU QB 4.500 . 6.500 3.110 2.305 4.096 . 0 0 "[ . 1 . 2 . 3]" 2
565 1 47 HIS QB 1 81 LEU QD 3.500 . 7.500 4.416 2.854 6.252 . 0 0 "[ . 1 . 2 . 3]" 2
566 1 47 HIS HE1 1 83 GLU HB3 4.500 . 6.400 4.496 1.747 5.911 0.053 26 0 "[ . 1 . 2 . 3]" 2
567 1 47 HIS HE1 1 83 GLU HB2 4.500 . 6.400 4.813 2.608 6.251 . 0 0 "[ . 1 . 2 . 3]" 2
568 1 47 HIS HE1 1 83 GLU HA 2.500 . 3.500 2.886 1.818 3.576 0.076 26 0 "[ . 1 . 2 . 3]" 2
569 1 48 ILE H 1 48 ILE HA 2.500 . 3.000 2.786 2.735 2.830 . 0 0 "[ . 1 . 2 . 3]" 2
570 1 48 ILE H 1 48 ILE HB 2.500 . 3.000 2.576 2.400 2.668 . 0 0 "[ . 1 . 2 . 3]" 2
571 1 48 ILE H 1 48 ILE QG 2.500 . 4.100 2.034 1.909 2.277 . 0 0 "[ . 1 . 2 . 3]" 2
572 1 48 ILE H 1 48 ILE MG 2.500 . 4.100 3.764 3.734 3.781 . 0 0 "[ . 1 . 2 . 3]" 2
573 1 47 HIS HA 1 48 ILE H 4.500 . 5.400 3.539 3.507 3.579 . 0 0 "[ . 1 . 2 . 3]" 2
574 1 47 HIS QB 1 48 ILE H 2.500 . 4.100 2.496 2.274 2.733 . 0 0 "[ . 1 . 2 . 3]" 2
575 1 48 ILE H 1 49 TRP H 2.500 . 3.000 2.845 2.571 2.997 . 0 0 "[ . 1 . 2 . 3]" 2
576 1 48 ILE H 1 50 GLU H 4.500 . 5.400 4.513 4.259 4.731 . 0 0 "[ . 1 . 2 . 3]" 2
577 1 48 ILE HA 1 50 GLU H 4.500 . 5.400 4.761 4.335 4.965 . 0 0 "[ . 1 . 2 . 3]" 2
578 1 48 ILE HA 1 51 LEU H 3.500 . 4.200 3.696 3.484 3.896 . 0 0 "[ . 1 . 2 . 3]" 2
579 1 48 ILE HA 1 52 SER H 4.500 . 5.400 4.018 3.723 4.471 . 0 0 "[ . 1 . 2 . 3]" 2
580 1 48 ILE MG 1 72 VAL H 3.500 . 5.300 3.842 3.261 4.435 . 0 0 "[ . 1 . 2 . 3]" 2
581 1 48 ILE MG 1 72 VAL HA 3.500 . 5.300 3.939 3.173 4.817 . 0 0 "[ . 1 . 2 . 3]" 2
582 1 48 ILE MD 1 72 VAL HA 3.500 . 5.300 2.872 2.163 3.694 . 0 0 "[ . 1 . 2 . 3]" 2
583 1 48 ILE MG 1 68 ALA HA 2.500 . 4.100 3.190 2.542 4.095 . 0 0 "[ . 1 . 2 . 3]" 2
584 1 48 ILE MG 1 69 PHE HA 3.500 . 5.300 4.936 4.303 5.314 0.014 14 0 "[ . 1 . 2 . 3]" 2
585 1 48 ILE HA 1 51 LEU HB3 3.500 . 4.200 4.258 4.083 4.326 0.126 3 0 "[ . 1 . 2 . 3]" 2
586 1 48 ILE HA 1 51 LEU HB2 2.500 . 3.000 2.812 2.633 3.038 0.038 29 0 "[ . 1 . 2 . 3]" 2
587 1 48 ILE HA 1 51 LEU MD1 4.500 . 6.500 4.205 2.115 5.532 . 0 0 "[ . 1 . 2 . 3]" 2
588 1 48 ILE HA 1 51 LEU MD2 3.500 . 5.300 3.756 2.651 5.164 . 0 0 "[ . 1 . 2 . 3]" 2
589 1 48 ILE QG 1 72 VAL MG2 4.500 . 7.600 2.927 1.773 3.803 0.027 20 0 "[ . 1 . 2 . 3]" 2
590 1 49 TRP H 1 49 TRP HA 2.500 . 3.000 2.791 2.727 2.855 . 0 0 "[ . 1 . 2 . 3]" 2
591 1 49 TRP H 1 49 TRP HB3 2.500 . 3.000 2.600 2.459 2.672 . 0 0 "[ . 1 . 2 . 3]" 2
592 1 49 TRP H 1 49 TRP HB2 2.500 . 3.000 2.564 2.493 2.664 . 0 0 "[ . 1 . 2 . 3]" 2
593 1 48 ILE HA 1 49 TRP H 3.500 . 4.200 3.575 3.521 3.616 . 0 0 "[ . 1 . 2 . 3]" 2
594 1 48 ILE HB 1 49 TRP H 3.500 . 4.200 2.487 2.251 2.760 . 0 0 "[ . 1 . 2 . 3]" 2
595 1 48 ILE QG 1 49 TRP H 4.500 . 6.500 3.966 3.773 4.203 . 0 0 "[ . 1 . 2 . 3]" 2
596 1 48 ILE MD 1 49 TRP H 2.500 . 4.100 3.263 3.039 3.517 . 0 0 "[ . 1 . 2 . 3]" 2
597 1 49 TRP H 1 49 TRP HD1 4.500 . 5.400 4.984 4.799 5.067 . 0 0 "[ . 1 . 2 . 3]" 2
598 1 49 TRP H 1 50 GLU H 2.500 . 3.000 2.894 2.708 3.052 0.052 14 0 "[ . 1 . 2 . 3]" 2
599 1 49 TRP H 1 51 LEU H 4.500 . 5.400 4.366 4.080 4.571 . 0 0 "[ . 1 . 2 . 3]" 2
600 1 49 TRP HA 1 52 SER HB3 3.500 . 4.200 3.965 3.486 4.268 0.068 6 0 "[ . 1 . 2 . 3]" 2
601 1 49 TRP HA 1 52 SER HB2 3.500 . 4.200 2.374 1.934 3.021 . 0 0 "[ . 1 . 2 . 3]" 2
602 1 49 TRP HZ2 1 58 GLY QA 2.500 . 3.000 2.392 1.828 3.064 0.064 16 0 "[ . 1 . 2 . 3]" 2
603 1 49 TRP HZ2 1 58 GLY H 3.500 . 4.200 3.349 2.706 4.012 . 0 0 "[ . 1 . 2 . 3]" 2
604 1 49 TRP HZ2 1 60 LEU MD1 4.500 . 6.500 2.957 2.532 3.257 . 0 0 "[ . 1 . 2 . 3]" 2
605 1 49 TRP HZ2 1 60 LEU MD2 4.500 . 6.500 4.961 4.613 5.198 . 0 0 "[ . 1 . 2 . 3]" 2
606 1 49 TRP HZ2 1 60 LEU HG 4.500 . 6.500 5.963 5.439 6.350 . 0 0 "[ . 1 . 2 . 3]" 2
607 1 49 TRP HZ2 1 60 LEU HB2 4.500 . 5.400 4.884 4.057 5.288 . 0 0 "[ . 1 . 2 . 3]" 2
608 1 49 TRP HZ2 1 59 ALA HA 4.500 . 5.400 3.115 2.128 3.579 . 0 0 "[ . 1 . 2 . 3]" 2
609 1 49 TRP HH2 1 60 LEU MD1 2.500 . 4.100 2.661 2.438 3.013 . 0 0 "[ . 1 . 2 . 3]" 2
610 1 49 TRP HH2 1 60 LEU MD2 2.500 . 4.100 3.817 3.394 4.142 0.042 4 0 "[ . 1 . 2 . 3]" 2
611 1 49 TRP HH2 1 60 LEU HG 3.500 . 5.300 5.202 4.912 5.354 0.054 29 0 "[ . 1 . 2 . 3]" 2
612 1 28 GLY QA 1 49 TRP HH2 . . 3.000 2.799 2.321 3.079 0.079 24 0 "[ . 1 . 2 . 3]" 2
613 1 49 TRP HH2 1 60 LEU HB2 4.500 . 7.000 3.070 2.568 3.485 . 0 0 "[ . 1 . 2 . 3]" 2
614 1 49 TRP HH2 1 59 ALA HA 3.500 . 4.200 2.417 1.875 3.354 . 0 0 "[ . 1 . 2 . 3]" 2
615 1 49 TRP HH2 1 59 ALA MB 4.500 . 6.500 4.045 3.590 4.815 . 0 0 "[ . 1 . 2 . 3]" 2
616 1 31 ALA MB 1 49 TRP HH2 2.500 . 4.100 3.739 3.238 4.058 . 0 0 "[ . 1 . 2 . 3]" 2
617 1 49 TRP HZ3 1 60 LEU MD1 2.500 . 4.100 2.920 2.607 3.476 . 0 0 "[ . 1 . 2 . 3]" 2
618 1 49 TRP HZ3 1 60 LEU MD2 2.500 . 4.100 2.398 1.935 2.815 . 0 0 "[ . 1 . 2 . 3]" 2
619 1 49 TRP HZ3 1 60 LEU HB2 4.500 . 5.400 2.959 2.203 3.349 . 0 0 "[ . 1 . 2 . 3]" 2
620 1 28 GLY QA 1 49 TRP HZ3 4.500 . 5.400 2.261 1.830 3.117 . 0 0 "[ . 1 . 2 . 3]" 2
621 1 31 ALA MB 1 49 TRP HZ3 2.500 . 5.200 1.963 1.758 2.397 0.042 25 0 "[ . 1 . 2 . 3]" 2
622 1 49 TRP HD1 1 60 LEU MD1 4.500 . 6.500 4.584 3.917 5.053 . 0 0 "[ . 1 . 2 . 3]" 2
623 1 49 TRP HD1 1 60 LEU MD2 4.500 . 6.500 5.938 5.145 6.391 . 0 0 "[ . 1 . 2 . 3]" 2
624 1 49 TRP HD1 1 85 LEU MD1 4.500 . 6.500 6.164 5.247 6.670 0.170 19 0 "[ . 1 . 2 . 3]" 2
625 1 49 TRP HD1 1 85 LEU MD2 4.500 . 6.500 5.991 4.299 6.612 0.112 13 0 "[ . 1 . 2 . 3]" 2
626 1 49 TRP HE3 1 60 LEU MD2 3.500 . 5.300 2.638 2.176 2.876 . 0 0 "[ . 1 . 2 . 3]" 2
627 1 49 TRP HE3 1 60 LEU MD1 2.500 . 4.100 2.952 2.741 3.290 . 0 0 "[ . 1 . 2 . 3]" 2
628 1 49 TRP HE3 1 60 LEU HG 3.500 . 5.300 5.238 4.921 5.374 0.074 30 0 "[ . 1 . 2 . 3]" 2
629 1 60 LEU HA 1 64 GLU H 4.500 . 5.400 4.873 4.457 5.423 0.023 8 0 "[ . 1 . 2 . 3]" 2
630 1 31 ALA MB 1 49 TRP HE3 4.500 . 6.500 2.706 2.114 3.300 . 0 0 "[ . 1 . 2 . 3]" 2
631 1 49 TRP HE1 1 53 ASP HB2 4.500 . 5.400 3.049 2.649 3.531 . 0 0 "[ . 1 . 2 . 3]" 2
632 1 49 TRP HE1 1 53 ASP HB3 4.500 . 5.400 3.342 2.817 3.990 . 0 0 "[ . 1 . 2 . 3]" 2
633 1 49 TRP HE1 1 60 LEU MD2 4.500 . 6.500 5.789 5.167 6.085 . 0 0 "[ . 1 . 2 . 3]" 2
634 1 49 TRP HA 1 49 TRP HE1 4.500 . 5.400 5.427 5.343 5.498 0.098 14 0 "[ . 1 . 2 . 3]" 2
635 1 49 TRP HA 1 49 TRP HD1 3.500 . 4.200 4.117 3.938 4.257 0.057 17 0 "[ . 1 . 2 . 3]" 2
636 1 49 TRP HB3 1 49 TRP HD1 2.500 . 3.000 2.695 2.604 2.777 . 0 0 "[ . 1 . 2 . 3]" 2
637 1 49 TRP HB2 1 49 TRP HD1 3.500 . 4.200 3.834 3.767 3.872 . 0 0 "[ . 1 . 2 . 3]" 2
638 1 29 SER H 1 49 TRP HZ3 4.500 . 5.400 5.270 4.849 5.484 0.084 30 0 "[ . 1 . 2 . 3]" 2
639 1 49 TRP HH2 1 49 TRP HZ3 2.500 . 3.000 2.440 2.437 2.442 . 0 0 "[ . 1 . 2 . 3]" 2
640 1 50 GLU H 1 50 GLU HA 2.500 . 3.000 2.756 2.710 2.793 . 0 0 "[ . 1 . 2 . 3]" 2
641 1 50 GLU H 1 50 GLU QB 2.500 . 4.100 2.435 2.086 2.647 . 0 0 "[ . 1 . 2 . 3]" 2
642 1 50 GLU H 1 50 GLU QG 2.500 . 4.100 2.444 1.828 3.754 . 0 0 "[ . 1 . 2 . 3]" 2
643 1 49 TRP HA 1 50 GLU H 3.500 . 4.200 3.578 3.540 3.603 . 0 0 "[ . 1 . 2 . 3]" 2
644 1 49 TRP HB3 1 50 GLU H 2.500 . 3.000 2.342 2.243 2.578 . 0 0 "[ . 1 . 2 . 3]" 2
645 1 49 TRP HB2 1 50 GLU H 3.500 . 4.200 3.759 3.687 3.925 . 0 0 "[ . 1 . 2 . 3]" 2
646 1 50 GLU H 1 51 LEU H 2.500 . 3.000 2.913 2.815 3.019 0.019 22 0 "[ . 1 . 2 . 3]" 2
647 1 47 HIS HA 1 50 GLU H 3.500 . 4.200 3.675 3.225 4.143 . 0 0 "[ . 1 . 2 . 3]" 2
648 1 49 TRP HD1 1 50 GLU H 2.500 . 3.500 3.242 2.906 3.522 0.022 30 0 "[ . 1 . 2 . 3]" 2
649 1 51 LEU H 1 51 LEU HA 2.500 . 3.000 2.819 2.759 2.865 . 0 0 "[ . 1 . 2 . 3]" 2
650 1 51 LEU H 1 51 LEU HB2 2.500 . 3.000 2.232 2.110 2.538 . 0 0 "[ . 1 . 2 . 3]" 2
651 1 51 LEU H 1 51 LEU HG 2.500 . 4.100 3.760 2.137 4.108 0.008 13 0 "[ . 1 . 2 . 3]" 2
652 1 51 LEU H 1 51 LEU MD1 2.500 . 4.100 2.935 1.756 4.070 0.044 10 0 "[ . 1 . 2 . 3]" 2
653 1 51 LEU H 1 51 LEU MD2 2.500 . 4.100 3.112 1.861 3.892 . 0 0 "[ . 1 . 2 . 3]" 2
654 1 50 GLU QB 1 51 LEU H 3.500 . 5.300 2.504 2.098 3.369 . 0 0 "[ . 1 . 2 . 3]" 2
655 1 50 GLU QG 1 51 LEU H 4.500 . 6.500 3.798 1.820 4.441 . 0 0 "[ . 1 . 2 . 3]" 2
656 1 51 LEU H 1 52 SER H 2.500 . 3.000 2.670 2.519 2.850 . 0 0 "[ . 1 . 2 . 3]" 2
657 1 51 LEU MD1 1 85 LEU H 2.500 . 5.100 3.759 2.172 5.244 0.144 4 0 "[ . 1 . 2 . 3]" 2
658 1 51 LEU MD2 1 85 LEU H 4.500 . 7.500 4.312 2.025 7.069 . 0 0 "[ . 1 . 2 . 3]" 2
659 1 51 LEU MD1 1 86 PRO QD 4.500 . 7.600 5.158 2.493 7.597 . 0 0 "[ . 1 . 2 . 3]" 2
660 1 51 LEU HA 1 85 LEU MD2 2.500 . 5.100 4.691 3.707 5.219 0.119 11 0 "[ . 1 . 2 . 3]" 2
661 1 52 SER H 1 52 SER HA 2.500 . 3.000 2.859 2.764 2.915 . 0 0 "[ . 1 . 2 . 3]" 2
662 1 52 SER H 1 52 SER HB3 2.500 . 3.500 3.576 3.477 3.608 0.108 28 0 "[ . 1 . 2 . 3]" 2
663 1 52 SER H 1 52 SER HB2 3.500 . 4.200 2.406 2.196 2.577 . 0 0 "[ . 1 . 2 . 3]" 2
664 1 51 LEU HA 1 52 SER H 3.500 . 4.200 3.518 3.436 3.585 . 0 0 "[ . 1 . 2 . 3]" 2
665 1 51 LEU HB3 1 52 SER H 4.500 . 5.400 3.400 2.828 3.728 . 0 0 "[ . 1 . 2 . 3]" 2
666 1 51 LEU HB2 1 52 SER H 4.500 . 5.400 2.818 2.477 3.142 . 0 0 "[ . 1 . 2 . 3]" 2
667 1 51 LEU HG 1 52 SER H 4.500 . 6.500 5.067 4.309 5.352 . 0 0 "[ . 1 . 2 . 3]" 2
668 1 51 LEU MD1 1 52 SER H 4.500 . 6.500 4.332 3.877 4.779 . 0 0 "[ . 1 . 2 . 3]" 2
669 1 51 LEU MD2 1 52 SER H 4.500 . 6.500 4.462 3.937 4.980 . 0 0 "[ . 1 . 2 . 3]" 2
670 1 52 SER H 1 53 ASP H 2.500 . 3.000 2.515 2.303 2.828 . 0 0 "[ . 1 . 2 . 3]" 2
671 1 52 SER H 1 54 PHE H 4.500 . 5.400 5.095 4.818 5.446 0.046 29 0 "[ . 1 . 2 . 3]" 2
672 1 48 ILE MG 1 52 SER HB3 4.500 . 6.500 4.234 3.817 4.913 . 0 0 "[ . 1 . 2 . 3]" 2
673 1 48 ILE MG 1 52 SER HB2 4.500 . 6.500 3.515 3.032 4.014 . 0 0 "[ . 1 . 2 . 3]" 2
674 1 52 SER HB2 1 68 ALA MB 3.500 . 5.300 3.242 2.697 3.844 . 0 0 "[ . 1 . 2 . 3]" 2
675 1 52 SER HB3 1 60 LEU MD1 4.500 . 6.500 3.238 2.075 4.088 . 0 0 "[ . 1 . 2 . 3]" 2
676 1 52 SER HB3 1 60 LEU MD2 4.500 . 6.500 2.967 2.183 3.565 . 0 0 "[ . 1 . 2 . 3]" 2
677 1 53 ASP H 1 53 ASP HA 2.500 . 3.000 2.929 2.919 2.941 . 0 0 "[ . 1 . 2 . 3]" 2
678 1 53 ASP H 1 53 ASP HB3 2.500 . 3.000 2.745 2.435 3.077 0.077 23 0 "[ . 1 . 2 . 3]" 2
679 1 53 ASP H 1 53 ASP HB2 2.500 . 3.000 2.573 2.336 2.868 . 0 0 "[ . 1 . 2 . 3]" 2
680 1 51 LEU HA 1 53 ASP H 3.500 . 4.200 4.229 4.129 4.351 0.151 7 0 "[ . 1 . 2 . 3]" 2
681 1 53 ASP H 1 54 PHE H 4.500 . 5.400 3.401 3.206 3.607 . 0 0 "[ . 1 . 2 . 3]" 2
682 1 53 ASP HA 1 60 LEU MD1 2.500 . 4.100 2.926 2.411 3.245 . 0 0 "[ . 1 . 2 . 3]" 2
683 1 53 ASP HB3 1 60 LEU MD1 3.500 . 5.300 4.040 3.508 4.578 . 0 0 "[ . 1 . 2 . 3]" 2
684 1 53 ASP HB2 1 60 LEU MD1 3.500 . 5.300 2.641 2.061 3.297 . 0 0 "[ . 1 . 2 . 3]" 2
685 1 54 PHE H 1 54 PHE HA 2.500 . 3.000 2.762 2.701 2.829 . 0 0 "[ . 1 . 2 . 3]" 2
686 1 54 PHE H 1 54 PHE QB 2.500 . 4.100 2.256 2.006 2.681 . 0 0 "[ . 1 . 2 . 3]" 2
687 1 53 ASP HA 1 54 PHE H 2.500 . 3.000 2.596 2.487 2.795 . 0 0 "[ . 1 . 2 . 3]" 2
688 1 53 ASP HB3 1 54 PHE H 4.500 . 5.400 4.344 4.279 4.421 . 0 0 "[ . 1 . 2 . 3]" 2
689 1 53 ASP HB2 1 54 PHE H 4.500 . 5.400 4.637 4.595 4.703 . 0 0 "[ . 1 . 2 . 3]" 2
690 1 54 PHE H 1 64 GLU HG2 2.500 . 4.100 3.715 3.295 4.160 0.060 16 0 "[ . 1 . 2 . 3]" 2
691 1 54 PHE H 1 60 LEU MD1 3.500 . 5.300 4.965 4.667 5.295 . 0 0 "[ . 1 . 2 . 3]" 2
692 1 54 PHE H 1 55 ASP H 2.500 . 3.000 2.827 2.627 2.994 . 0 0 "[ . 1 . 2 . 3]" 2
693 1 54 PHE HA 1 54 PHE QD 2.500 . 5.400 2.721 2.115 3.171 . 0 0 "[ . 1 . 2 . 3]" 2
694 1 54 PHE QB 1 54 PHE QD 2.500 . 6.500 2.138 2.115 2.223 . 0 0 "[ . 1 . 2 . 3]" 2
695 1 54 PHE QD 1 64 GLU HG2 3.500 . 6.600 4.828 2.478 6.152 . 0 0 "[ . 1 . 2 . 3]" 2
696 1 55 ASP H 1 55 ASP HB3 2.500 . 3.000 2.933 2.823 3.073 0.073 11 0 "[ . 1 . 2 . 3]" 2
697 1 54 PHE QB 1 55 ASP H 3.500 . 5.300 3.209 2.889 3.418 . 0 0 "[ . 1 . 2 . 3]" 2
698 1 55 ASP H 1 56 LYS H 2.500 . 3.000 2.268 2.115 3.135 0.135 17 0 "[ . 1 . 2 . 3]" 2
699 1 56 LYS H 1 56 LYS HA 2.500 . 3.000 2.306 2.271 2.654 . 0 0 "[ . 1 . 2 . 3]" 2
700 1 56 LYS H 1 56 LYS QB 3.500 . 5.300 3.220 2.955 3.477 . 0 0 "[ . 1 . 2 . 3]" 2
701 1 56 LYS H 1 56 LYS QG 3.500 . 5.300 3.524 2.777 4.207 . 0 0 "[ . 1 . 2 . 3]" 2
702 1 56 LYS H 1 56 LYS QD 2.500 . 4.100 3.307 2.324 4.153 0.053 3 0 "[ . 1 . 2 . 3]" 2
703 1 55 ASP HA 1 56 LYS H 3.500 . 4.200 3.503 3.400 3.553 . 0 0 "[ . 1 . 2 . 3]" 2
704 1 55 ASP HB3 1 56 LYS H 4.500 . 5.400 4.023 3.284 4.285 . 0 0 "[ . 1 . 2 . 3]" 2
705 1 55 ASP HB2 1 56 LYS H 4.500 . 5.400 3.619 2.043 4.011 . 0 0 "[ . 1 . 2 . 3]" 2
706 1 56 LYS H 1 56 LYS QE 4.500 . 6.500 4.516 2.674 5.861 . 0 0 "[ . 1 . 2 . 3]" 2
707 1 56 LYS H 1 57 ASP H 2.500 . 3.000 2.534 1.751 2.765 0.049 23 0 "[ . 1 . 2 . 3]" 2
708 1 53 ASP HA 1 56 LYS QG 4.500 . 6.500 6.150 5.393 6.719 0.219 23 0 "[ . 1 . 2 . 3]" 2
709 1 57 ASP H 1 57 ASP HA 2.500 . 3.000 2.940 2.926 2.959 . 0 0 "[ . 1 . 2 . 3]" 2
710 1 57 ASP H 1 57 ASP HB3 3.500 . 4.200 2.818 2.600 3.003 . 0 0 "[ . 1 . 2 . 3]" 2
711 1 56 LYS HA 1 57 ASP H 2.500 . 3.000 2.698 2.495 2.787 . 0 0 "[ . 1 . 2 . 3]" 2
712 1 56 LYS QB 1 57 ASP H 3.500 . 5.300 3.892 3.851 4.018 . 0 0 "[ . 1 . 2 . 3]" 2
713 1 56 LYS QD 1 57 ASP H 2.500 . 4.500 4.243 3.454 4.525 0.025 12 0 "[ . 1 . 2 . 3]" 2
714 1 57 ASP H 1 58 GLY H 2.500 . 3.000 2.204 2.027 2.525 . 0 0 "[ . 1 . 2 . 3]" 2
715 1 58 GLY H 1 58 GLY HA3 2.500 . 3.000 2.911 2.827 2.969 . 0 0 "[ . 1 . 2 . 3]" 2
716 1 58 GLY H 1 58 GLY HA2 2.500 . 3.000 2.389 2.300 2.631 . 0 0 "[ . 1 . 2 . 3]" 2
717 1 58 GLY H 1 59 ALA H 2.500 . 3.000 2.287 1.950 2.652 . 0 0 "[ . 1 . 2 . 3]" 2
718 1 58 GLY H 1 59 ALA MB 4.500 . 6.500 4.367 4.105 4.660 . 0 0 "[ . 1 . 2 . 3]" 2
719 1 56 LYS H 1 58 GLY H 4.500 . 5.400 4.245 3.789 4.754 . 0 0 "[ . 1 . 2 . 3]" 2
720 1 59 ALA H 1 59 ALA HA 2.500 . 3.000 2.931 2.917 2.958 . 0 0 "[ . 1 . 2 . 3]" 2
721 1 59 ALA H 1 59 ALA MB 2.500 . 4.100 2.564 2.311 2.664 . 0 0 "[ . 1 . 2 . 3]" 2
722 1 58 GLY QA 1 59 ALA H 2.500 . 3.000 2.863 2.752 2.918 . 0 0 "[ . 1 . 2 . 3]" 2
723 1 57 ASP HA 1 59 ALA H 4.500 . 5.400 4.434 4.118 4.844 . 0 0 "[ . 1 . 2 . 3]" 2
724 1 59 ALA H 1 60 LEU MD1 4.500 . 6.500 4.037 3.695 4.636 . 0 0 "[ . 1 . 2 . 3]" 2
725 1 59 ALA H 1 60 LEU H 4.500 . 5.400 4.333 4.218 4.492 . 0 0 "[ . 1 . 2 . 3]" 2
726 1 60 LEU H 1 60 LEU HB2 2.500 . 3.000 2.211 2.170 2.348 . 0 0 "[ . 1 . 2 . 3]" 2
727 1 60 LEU H 1 60 LEU HG 2.500 . 4.500 4.532 4.422 4.613 0.113 28 0 "[ . 1 . 2 . 3]" 2
728 1 60 LEU H 1 60 LEU MD1 3.500 . 5.300 2.900 2.616 3.235 . 0 0 "[ . 1 . 2 . 3]" 2
729 1 60 LEU H 1 60 LEU MD2 3.500 . 5.300 4.075 3.932 4.245 . 0 0 "[ . 1 . 2 . 3]" 2
730 1 59 ALA HA 1 60 LEU H 2.500 . 3.000 2.202 2.136 2.402 . 0 0 "[ . 1 . 2 . 3]" 2
731 1 59 ALA MB 1 60 LEU H 2.500 . 4.100 2.917 2.542 3.194 . 0 0 "[ . 1 . 2 . 3]" 2
732 1 60 LEU HA 1 60 LEU HB3 2.500 . 3.000 2.778 2.714 2.857 . 0 0 "[ . 1 . 2 . 3]" 2
733 1 60 LEU HA 1 60 LEU HB2 2.500 . 3.000 2.893 2.813 2.944 . 0 0 "[ . 1 . 2 . 3]" 2
734 1 60 LEU HA 1 60 LEU HG 3.500 . 5.300 2.605 2.506 2.663 . 0 0 "[ . 1 . 2 . 3]" 2
735 1 60 LEU HA 1 60 LEU MD2 3.500 . 5.300 3.761 3.731 3.792 . 0 0 "[ . 1 . 2 . 3]" 2
736 1 60 LEU HA 1 60 LEU MD1 2.500 . 4.100 2.176 2.072 2.288 . 0 0 "[ . 1 . 2 . 3]" 2
737 1 59 ALA MB 1 60 LEU HA 4.500 . 6.500 4.203 4.062 4.257 . 0 0 "[ . 1 . 2 . 3]" 2
738 1 60 LEU HA 1 61 THR MG 4.500 . 6.500 3.665 3.385 5.377 . 0 0 "[ . 1 . 2 . 3]" 2
739 1 60 LEU HA 1 64 GLU QG 4.500 . 5.400 3.732 3.169 4.135 . 0 0 "[ . 1 . 2 . 3]" 2
740 1 60 LEU HA 1 64 GLU QB 2.500 . 4.100 2.628 2.150 3.098 . 0 0 "[ . 1 . 2 . 3]" 2
741 1 60 LEU HA 1 61 THR H 2.500 . 3.000 2.118 2.086 2.187 . 0 0 "[ . 1 . 2 . 3]" 2
742 1 25 PHE HB3 1 60 LEU H 4.500 . 5.400 3.958 3.276 4.347 . 0 0 "[ . 1 . 2 . 3]" 2
743 1 25 PHE QD 1 60 LEU H 4.500 . 7.800 5.292 4.754 5.697 . 0 0 "[ . 1 . 2 . 3]" 2
744 1 49 TRP HZ3 1 60 LEU H 4.500 . 5.400 4.044 3.495 4.809 . 0 0 "[ . 1 . 2 . 3]" 2
745 1 60 LEU MD2 1 65 PHE HA 2.500 . 4.100 3.058 2.424 3.561 . 0 0 "[ . 1 . 2 . 3]" 2
746 1 60 LEU MD1 1 65 PHE HA 3.500 . 5.300 5.267 4.943 5.389 0.089 7 0 "[ . 1 . 2 . 3]" 2
747 1 60 LEU MD1 1 64 GLU HA 4.500 . 6.500 4.957 4.442 5.314 . 0 0 "[ . 1 . 2 . 3]" 2
748 1 60 LEU MD1 1 64 GLU QG 2.500 . 5.100 3.739 3.342 4.089 . 0 0 "[ . 1 . 2 . 3]" 2
749 1 61 THR H 1 61 THR MG 2.500 . 4.100 2.254 1.714 3.773 0.086 13 0 "[ . 1 . 2 . 3]" 2
750 1 61 THR H 1 64 GLU HA 4.500 . 5.900 4.897 4.547 5.204 . 0 0 "[ . 1 . 2 . 3]" 2
751 1 61 THR H 1 64 GLU QG 3.500 . 4.200 2.735 1.833 3.268 . 0 0 "[ . 1 . 2 . 3]" 2
752 1 61 THR H 1 64 GLU QB 2.500 . 4.100 2.092 1.776 2.358 0.024 20 0 "[ . 1 . 2 . 3]" 2
753 1 60 LEU HB3 1 61 THR H 3.500 . 4.200 3.595 3.162 3.764 . 0 0 "[ . 1 . 2 . 3]" 2
754 1 60 LEU HB2 1 61 THR H 3.500 . 4.500 4.467 4.258 4.522 0.022 24 0 "[ . 1 . 2 . 3]" 2
755 1 60 LEU MD1 1 61 THR H 2.500 . 4.100 3.821 3.656 4.060 . 0 0 "[ . 1 . 2 . 3]" 2
756 1 60 LEU MD2 1 61 THR H 4.500 . 6.500 4.911 4.596 5.070 . 0 0 "[ . 1 . 2 . 3]" 2
757 1 61 THR H 1 64 GLU H 3.500 . 4.200 3.304 2.913 3.632 . 0 0 "[ . 1 . 2 . 3]" 2
758 1 61 THR H 1 65 PHE H 4.500 . 5.400 4.077 3.639 4.356 . 0 0 "[ . 1 . 2 . 3]" 2
759 1 62 LEU H 1 62 LEU HA 2.500 . 3.000 2.712 2.696 2.728 . 0 0 "[ . 1 . 2 . 3]" 2
760 1 62 LEU H 1 62 LEU QB 2.500 . 4.100 2.157 2.056 2.250 . 0 0 "[ . 1 . 2 . 3]" 2
761 1 62 LEU H 1 62 LEU HG 4.500 . 6.500 4.261 3.501 4.623 . 0 0 "[ . 1 . 2 . 3]" 2
762 1 62 LEU H 1 62 LEU MD1 4.500 . 6.500 4.172 3.657 4.273 . 0 0 "[ . 1 . 2 . 3]" 2
763 1 62 LEU H 1 62 LEU MD2 4.500 . 6.500 4.039 3.619 4.305 . 0 0 "[ . 1 . 2 . 3]" 2
764 1 26 ILE MD 1 62 LEU H 4.500 . 6.500 5.742 5.108 6.146 . 0 0 "[ . 1 . 2 . 3]" 2
765 1 61 THR HA 1 62 LEU H 2.500 . 3.000 2.359 2.232 2.442 . 0 0 "[ . 1 . 2 . 3]" 2
766 1 61 THR HB 1 62 LEU H 3.500 . 4.200 2.980 2.417 3.922 . 0 0 "[ . 1 . 2 . 3]" 2
767 1 62 LEU H 1 63 ASP H 3.500 . 4.200 2.932 2.817 3.073 . 0 0 "[ . 1 . 2 . 3]" 2
768 1 62 LEU MD2 1 65 PHE HB3 4.500 . 6.500 2.834 2.482 3.172 . 0 0 "[ . 1 . 2 . 3]" 2
769 1 62 LEU MD2 1 65 PHE HB2 2.500 . 4.600 4.010 3.662 4.438 . 0 0 "[ . 1 . 2 . 3]" 2
770 1 62 LEU HA 1 65 PHE HB2 2.500 . 3.000 3.066 2.991 3.138 0.138 2 0 "[ . 1 . 2 . 3]" 2
771 1 62 LEU HA 1 65 PHE HB3 2.500 . 3.000 2.086 1.793 2.265 0.007 18 0 "[ . 1 . 2 . 3]" 2
772 1 63 ASP H 1 63 ASP HA 2.500 . 3.000 2.814 2.768 2.844 . 0 0 "[ . 1 . 2 . 3]" 2
773 1 63 ASP H 1 63 ASP HB3 2.500 . 3.100 3.229 3.179 3.396 0.296 19 0 "[ . 1 . 2 . 3]" 2
774 1 63 ASP H 1 63 ASP HB2 2.500 . 3.000 2.050 1.984 2.146 . 0 0 "[ . 1 . 2 . 3]" 2
775 1 62 LEU HA 1 63 ASP H 3.500 . 4.200 3.542 3.501 3.600 . 0 0 "[ . 1 . 2 . 3]" 2
776 1 62 LEU QB 1 63 ASP H 3.500 . 5.300 2.652 2.478 2.863 . 0 0 "[ . 1 . 2 . 3]" 2
777 1 62 LEU HG 1 63 ASP H 3.500 . 5.300 5.026 4.841 5.207 . 0 0 "[ . 1 . 2 . 3]" 2
778 1 61 THR HA 1 63 ASP H 3.500 . 4.200 4.215 3.950 4.378 0.178 15 0 "[ . 1 . 2 . 3]" 2
779 1 62 LEU MD1 1 63 ASP H 4.500 . 6.500 4.041 2.899 4.885 . 0 0 "[ . 1 . 2 . 3]" 2
780 1 62 LEU MD2 1 63 ASP H 4.500 . 6.500 4.137 3.320 4.712 . 0 0 "[ . 1 . 2 . 3]" 2
781 1 63 ASP HA 1 66 CYS HB3 2.500 . 4.100 4.047 3.372 4.231 0.131 10 0 "[ . 1 . 2 . 3]" 2
782 1 63 ASP HA 1 66 CYS HB2 2.500 . 4.100 2.739 2.206 3.251 . 0 0 "[ . 1 . 2 . 3]" 2
783 1 63 ASP H 1 64 GLU H 2.500 . 3.000 2.745 2.613 2.883 . 0 0 "[ . 1 . 2 . 3]" 2
784 1 64 GLU H 1 64 GLU HA 2.500 . 3.000 2.803 2.777 2.857 . 0 0 "[ . 1 . 2 . 3]" 2
785 1 64 GLU H 1 64 GLU QB 2.500 . 4.100 2.471 2.370 2.682 . 0 0 "[ . 1 . 2 . 3]" 2
786 1 64 GLU H 1 64 GLU HG3 2.500 . 3.000 2.145 1.800 2.378 0.000 1 0 "[ . 1 . 2 . 3]" 2
787 1 64 GLU H 1 64 GLU HG2 2.500 . 3.500 3.431 2.776 3.658 0.158 12 0 "[ . 1 . 2 . 3]" 2
788 1 63 ASP HA 1 64 GLU H 2.500 . 3.500 3.557 3.538 3.585 0.085 29 0 "[ . 1 . 2 . 3]" 2
789 1 63 ASP HB3 1 64 GLU H 3.500 . 4.200 2.612 2.393 2.996 . 0 0 "[ . 1 . 2 . 3]" 2
790 1 63 ASP HB2 1 64 GLU H 3.500 . 4.200 2.993 2.731 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
791 1 64 GLU H 1 65 PHE H 2.500 . 3.000 2.608 2.519 2.711 . 0 0 "[ . 1 . 2 . 3]" 2
792 1 64 GLU HA 1 67 ALA MB 3.500 . 5.300 2.883 2.432 3.499 . 0 0 "[ . 1 . 2 . 3]" 2
793 1 65 PHE H 1 65 PHE HA 2.500 . 3.000 2.796 2.717 2.836 . 0 0 "[ . 1 . 2 . 3]" 2
794 1 65 PHE H 1 65 PHE HB3 2.500 . 3.500 2.285 2.164 2.394 . 0 0 "[ . 1 . 2 . 3]" 2
795 1 65 PHE H 1 65 PHE HB2 2.500 . 3.500 2.713 2.593 2.858 . 0 0 "[ . 1 . 2 . 3]" 2
796 1 61 THR HA 1 65 PHE H 4.500 . 5.400 4.794 4.404 4.960 . 0 0 "[ . 1 . 2 . 3]" 2
797 1 62 LEU HA 1 65 PHE H 4.500 . 5.400 3.380 3.199 3.576 . 0 0 "[ . 1 . 2 . 3]" 2
798 1 63 ASP HA 1 65 PHE H 4.500 . 5.400 4.294 3.988 4.703 . 0 0 "[ . 1 . 2 . 3]" 2
799 1 64 GLU HA 1 65 PHE H 3.500 . 4.200 3.502 3.461 3.545 . 0 0 "[ . 1 . 2 . 3]" 2
800 1 64 GLU QG 1 65 PHE H 4.500 . 5.400 3.983 3.633 4.161 . 0 0 "[ . 1 . 2 . 3]" 2
801 1 64 GLU QB 1 65 PHE H 2.500 . 4.100 2.553 2.208 2.724 . 0 0 "[ . 1 . 2 . 3]" 2
802 1 60 LEU HB3 1 65 PHE H 4.500 . 6.500 3.772 2.510 4.432 . 0 0 "[ . 1 . 2 . 3]" 2
803 1 60 LEU HG 1 65 PHE H 4.500 . 6.500 3.941 3.657 4.154 . 0 0 "[ . 1 . 2 . 3]" 2
804 1 60 LEU MD1 1 65 PHE H 3.500 . 5.300 5.239 4.904 5.379 0.079 14 0 "[ . 1 . 2 . 3]" 2
805 1 60 LEU MD2 1 65 PHE H 3.500 . 5.300 4.285 3.696 4.766 . 0 0 "[ . 1 . 2 . 3]" 2
806 1 26 ILE MD 1 65 PHE H 4.500 . 6.500 5.497 4.440 5.720 . 0 0 "[ . 1 . 2 . 3]" 2
807 1 65 PHE H 1 66 CYS H 2.500 . 3.000 2.810 2.598 2.963 . 0 0 "[ . 1 . 2 . 3]" 2
808 1 65 PHE H 1 65 PHE QD 4.500 . 7.800 4.129 4.090 4.159 . 0 0 "[ . 1 . 2 . 3]" 2
809 1 65 PHE H 1 65 PHE QE 4.500 . 7.800 6.136 6.071 6.178 . 0 0 "[ . 1 . 2 . 3]" 2
810 1 65 PHE HA 1 65 PHE QD 2.500 . 5.400 2.267 2.156 2.475 . 0 0 "[ . 1 . 2 . 3]" 2
811 1 65 PHE HB3 1 65 PHE QD 2.500 . 5.400 2.337 2.286 2.394 . 0 0 "[ . 1 . 2 . 3]" 2
812 1 65 PHE HB2 1 65 PHE QD 2.500 . 5.400 2.751 2.730 2.761 . 0 0 "[ . 1 . 2 . 3]" 2
813 1 62 LEU HA 1 65 PHE QD 3.500 . 6.600 2.594 2.255 2.912 . 0 0 "[ . 1 . 2 . 3]" 2
814 1 15 PHE HA 1 65 PHE HZ 3.500 . 4.300 4.265 1.914 4.508 0.208 25 0 "[ . 1 . 2 . 3]" 2
815 1 15 PHE HB3 1 65 PHE HZ 2.500 . 3.000 2.931 1.791 3.118 0.118 24 0 "[ . 1 . 2 . 3]" 2
816 1 15 PHE HB2 1 65 PHE HZ 2.500 . 3.100 1.887 1.708 3.344 0.244 26 0 "[ . 1 . 2 . 3]" 2
817 1 26 ILE MD 1 65 PHE QD 2.500 . 6.500 3.904 2.368 4.228 . 0 0 "[ . 1 . 2 . 3]" 2
818 1 62 LEU MD2 1 65 PHE QD 2.500 . 6.500 1.942 1.736 2.498 0.064 7 0 "[ . 1 . 2 . 3]" 2
819 1 62 LEU MD1 1 65 PHE QD 3.500 . 7.700 3.629 2.453 4.264 . 0 0 "[ . 1 . 2 . 3]" 2
820 1 60 LEU MD2 1 65 PHE QD 4.500 . 8.900 4.324 3.754 4.614 . 0 0 "[ . 1 . 2 . 3]" 2
821 1 22 LEU HG 1 65 PHE QD 4.500 . 8.600 7.890 6.675 8.659 0.059 7 0 "[ . 1 . 2 . 3]" 2
822 1 19 GLN QG 1 65 PHE QD 4.500 . 8.600 2.996 2.376 3.898 . 0 0 "[ . 1 . 2 . 3]" 2
823 1 26 ILE MD 1 65 PHE QE 2.500 . 6.500 4.519 2.985 5.052 . 0 0 "[ . 1 . 2 . 3]" 2
824 1 62 LEU MD2 1 65 PHE QE 2.500 . 6.500 3.012 2.167 3.821 . 0 0 "[ . 1 . 2 . 3]" 2
825 1 62 LEU MD1 1 65 PHE QE 3.500 . 7.700 4.515 3.762 5.001 . 0 0 "[ . 1 . 2 . 3]" 2
826 1 60 LEU HG 1 65 PHE QE 4.500 . 8.900 8.049 7.781 8.406 . 0 0 "[ . 1 . 2 . 3]" 2
827 1 65 PHE HA 1 65 PHE QE 3.500 . 6.600 4.598 4.502 4.790 . 0 0 "[ . 1 . 2 . 3]" 2
828 1 62 LEU HA 1 65 PHE QE 2.500 . 5.400 4.897 4.573 5.206 . 0 0 "[ . 1 . 2 . 3]" 2
829 1 65 PHE HA 1 68 ALA MB 2.500 . 4.100 2.624 2.207 3.054 . 0 0 "[ . 1 . 2 . 3]" 2
830 1 65 PHE HB3 1 68 ALA MB 4.500 . 6.500 5.108 4.737 5.492 . 0 0 "[ . 1 . 2 . 3]" 2
831 1 66 CYS H 1 66 CYS HA 2.500 . 3.000 2.777 2.720 2.838 . 0 0 "[ . 1 . 2 . 3]" 2
832 1 66 CYS H 1 66 CYS HB3 2.500 . 3.500 3.393 3.241 3.563 0.063 1 0 "[ . 1 . 2 . 3]" 2
833 1 66 CYS H 1 66 CYS HB2 2.500 . 3.500 2.137 2.016 2.333 . 0 0 "[ . 1 . 2 . 3]" 2
834 1 65 PHE HB3 1 66 CYS H 3.500 . 4.200 2.389 2.293 2.576 . 0 0 "[ . 1 . 2 . 3]" 2
835 1 65 PHE HB2 1 66 CYS H 3.500 . 4.200 3.808 3.734 3.937 . 0 0 "[ . 1 . 2 . 3]" 2
836 1 63 ASP HA 1 66 CYS H 4.500 . 5.400 3.451 2.935 3.865 . 0 0 "[ . 1 . 2 . 3]" 2
837 1 62 LEU HA 1 66 CYS H 4.500 . 5.400 3.843 3.344 4.157 . 0 0 "[ . 1 . 2 . 3]" 2
838 1 62 LEU QB 1 66 CYS H 3.500 . 5.300 4.870 4.446 5.027 . 0 0 "[ . 1 . 2 . 3]" 2
839 1 62 LEU MD2 1 66 CYS H 3.500 . 5.300 3.441 2.710 4.404 . 0 0 "[ . 1 . 2 . 3]" 2
840 1 26 ILE MD 1 66 CYS H 4.500 . 6.500 6.496 5.165 6.669 0.169 8 0 "[ . 1 . 2 . 3]" 2
841 1 66 CYS H 1 67 ALA H 2.500 . 3.000 2.876 2.710 3.015 0.015 18 0 "[ . 1 . 2 . 3]" 2
842 1 15 PHE QD 1 66 CYS H 4.500 . 7.800 6.296 4.309 6.790 . 0 0 "[ . 1 . 2 . 3]" 2
843 1 67 ALA H 1 67 ALA HA 2.500 . 5.000 2.821 2.774 2.864 . 0 0 "[ . 1 . 2 . 3]" 2
844 1 67 ALA H 1 67 ALA MB 2.500 . 4.100 2.104 2.031 2.237 . 0 0 "[ . 1 . 2 . 3]" 2
845 1 66 CYS HA 1 67 ALA H 3.500 . 4.200 3.560 3.539 3.576 . 0 0 "[ . 1 . 2 . 3]" 2
846 1 66 CYS HB3 1 67 ALA H 2.500 . 3.000 2.816 2.508 3.139 0.139 9 0 "[ . 1 . 2 . 3]" 2
847 1 66 CYS HB2 1 67 ALA H 2.500 . 3.000 2.808 2.344 3.059 0.059 16 0 "[ . 1 . 2 . 3]" 2
848 1 67 ALA H 1 68 ALA MB 3.500 . 5.300 4.332 4.179 4.498 . 0 0 "[ . 1 . 2 . 3]" 2
849 1 67 ALA H 1 68 ALA H 2.500 . 3.000 2.720 2.530 2.874 . 0 0 "[ . 1 . 2 . 3]" 2
850 1 67 ALA HA 1 70 HIS HB3 4.500 . 5.400 3.487 2.808 4.003 . 0 0 "[ . 1 . 2 . 3]" 2
851 1 67 ALA HA 1 70 HIS HB2 4.500 . 5.400 3.133 2.559 3.737 . 0 0 "[ . 1 . 2 . 3]" 2
852 1 3 ILE MD 1 67 ALA HA 4.500 . 6.500 3.101 1.730 4.895 0.070 18 0 "[ . 1 . 2 . 3]" 2
853 1 3 ILE MD 1 67 ALA MB 2.500 . 5.200 3.730 2.626 5.256 0.056 14 0 "[ . 1 . 2 . 3]" 2
854 1 68 ALA H 1 68 ALA HA 2.500 . 3.000 2.789 2.713 2.837 . 0 0 "[ . 1 . 2 . 3]" 2
855 1 68 ALA H 1 68 ALA MB 2.500 . 4.100 2.170 2.057 2.237 . 0 0 "[ . 1 . 2 . 3]" 2
856 1 67 ALA HA 1 68 ALA H 3.500 . 4.200 3.548 3.505 3.575 . 0 0 "[ . 1 . 2 . 3]" 2
857 1 67 ALA MB 1 68 ALA H 2.500 . 4.100 2.559 2.310 2.841 . 0 0 "[ . 1 . 2 . 3]" 2
858 1 68 ALA H 1 69 PHE H 2.500 . 3.000 2.888 2.723 3.070 0.070 26 0 "[ . 1 . 2 . 3]" 2
859 1 67 ALA MB 1 68 ALA HA 4.500 . 6.500 3.714 3.623 3.812 . 0 0 "[ . 1 . 2 . 3]" 2
860 1 68 ALA HA 1 71 LEU QB 3.500 . 4.200 2.807 2.392 3.294 . 0 0 "[ . 1 . 2 . 3]" 2
861 1 69 PHE H 1 69 PHE QB 2.500 . 4.100 2.187 2.064 2.255 . 0 0 "[ . 1 . 2 . 3]" 2
862 1 68 ALA MB 1 69 PHE H 2.500 . 4.100 2.331 2.224 2.496 . 0 0 "[ . 1 . 2 . 3]" 2
863 1 68 ALA HA 1 69 PHE H 3.500 . 4.200 3.578 3.558 3.593 . 0 0 "[ . 1 . 2 . 3]" 2
864 1 69 PHE H 1 70 HIS H 2.500 . 3.000 2.847 2.727 3.011 0.011 6 0 "[ . 1 . 2 . 3]" 2
865 1 69 PHE HA 1 69 PHE QD 2.500 . 5.400 2.637 1.900 3.059 . 0 0 "[ . 1 . 2 . 3]" 2
866 1 69 PHE QB 1 69 PHE QD 2.500 . 6.500 2.144 2.120 2.322 . 0 0 "[ . 1 . 2 . 3]" 2
867 1 69 PHE QD 1 72 VAL HB 3.500 . 6.600 4.208 2.673 4.787 . 0 0 "[ . 1 . 2 . 3]" 2
868 1 69 PHE QD 1 73 VAL MG1 2.500 . 6.500 5.167 4.598 5.907 . 0 0 "[ . 1 . 2 . 3]" 2
869 1 69 PHE QD 1 73 VAL MG2 4.500 . 8.900 2.912 1.884 3.787 . 0 0 "[ . 1 . 2 . 3]" 2
870 1 69 PHE QD 1 72 VAL MG2 4.500 . 8.900 4.359 3.516 4.877 . 0 0 "[ . 1 . 2 . 3]" 2
871 1 69 PHE QD 1 72 VAL MG1 4.500 . 8.900 4.638 3.516 5.160 . 0 0 "[ . 1 . 2 . 3]" 2
872 1 11 TYR HA 1 69 PHE QD 4.500 . 7.800 4.424 3.028 5.280 . 0 0 "[ . 1 . 2 . 3]" 2
873 1 11 TYR QB 1 69 PHE QD 4.500 . 8.900 3.026 1.833 4.409 . 0 0 "[ . 1 . 2 . 3]" 2
874 1 69 PHE QE 1 73 VAL MG1 2.500 . 6.500 5.069 4.251 5.943 . 0 0 "[ . 1 . 2 . 3]" 2
875 1 69 PHE QE 1 73 VAL MG2 3.500 . 7.700 3.258 2.431 4.079 . 0 0 "[ . 1 . 2 . 3]" 2
876 1 69 PHE QE 1 72 VAL MG2 3.500 . 7.700 5.534 4.880 6.207 . 0 0 "[ . 1 . 2 . 3]" 2
877 1 35 PHE HZ 1 69 PHE QD 4.500 . 7.800 3.595 2.240 5.441 . 0 0 "[ . 1 . 2 . 3]" 2
878 1 11 TYR QE 1 69 PHE QD 3.500 . 9.000 3.513 2.194 5.352 . 0 0 "[ . 1 . 2 . 3]" 2
879 1 15 PHE QE 1 69 PHE QD 4.500 . 10.200 4.049 2.959 5.217 . 0 0 "[ . 1 . 2 . 3]" 2
880 1 15 PHE HZ 1 69 PHE QD 3.500 . 6.700 4.571 2.700 5.703 . 0 0 "[ . 1 . 2 . 3]" 2
881 1 35 PHE HZ 1 69 PHE QE 4.500 . 7.900 5.469 3.736 7.095 . 0 0 "[ . 1 . 2 . 3]" 2
882 1 11 TYR QE 1 69 PHE QE 3.500 . 9.000 3.816 1.933 6.482 . 0 0 "[ . 1 . 2 . 3]" 2
883 1 11 TYR QD 1 69 PHE QE 3.500 . 9.000 3.301 2.147 4.517 . 0 0 "[ . 1 . 2 . 3]" 2
884 1 15 PHE QE 1 69 PHE QE 4.500 . 10.200 3.760 1.859 5.213 . 0 0 "[ . 1 . 2 . 3]" 2
885 1 15 PHE HZ 1 69 PHE QE 3.500 . 6.600 5.206 3.564 6.605 0.005 16 0 "[ . 1 . 2 . 3]" 2
886 1 69 PHE H 1 69 PHE QD 4.500 . 7.800 4.003 3.256 4.158 . 0 0 "[ . 1 . 2 . 3]" 2
887 1 69 PHE HA 1 72 VAL HB 2.500 . 3.000 2.752 2.327 2.932 . 0 0 "[ . 1 . 2 . 3]" 2
888 1 69 PHE HA 1 72 VAL MG1 2.500 . 4.100 4.021 3.655 4.141 0.041 26 0 "[ . 1 . 2 . 3]" 2
889 1 69 PHE HA 1 72 VAL MG2 3.500 . 5.300 2.801 2.395 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
890 1 70 HIS H 1 70 HIS HA 2.500 . 3.000 2.790 2.724 2.823 . 0 0 "[ . 1 . 2 . 3]" 2
891 1 70 HIS H 1 70 HIS HB3 2.500 . 3.000 3.086 2.936 3.202 0.202 17 0 "[ . 1 . 2 . 3]" 2
892 1 70 HIS H 1 70 HIS HB2 2.500 . 3.000 2.047 1.982 2.131 . 0 0 "[ . 1 . 2 . 3]" 2
893 1 69 PHE QB 1 70 HIS H 3.500 . 5.300 2.394 2.227 2.585 . 0 0 "[ . 1 . 2 . 3]" 2
894 1 69 PHE HA 1 70 HIS H 3.500 . 4.200 3.567 3.530 3.596 . 0 0 "[ . 1 . 2 . 3]" 2
895 1 70 HIS H 1 70 HIS HD2 4.500 . 5.400 4.723 4.020 5.465 0.065 6 0 "[ . 1 . 2 . 3]" 2
896 1 70 HIS HA 1 73 VAL MG1 2.500 . 4.100 4.116 3.988 4.206 0.106 5 0 "[ . 1 . 2 . 3]" 2
897 1 70 HIS HB2 1 70 HIS HD2 3.500 . 4.200 3.020 2.651 3.710 . 0 0 "[ . 1 . 2 . 3]" 2
898 1 7 GLN HB3 1 70 HIS HD2 4.500 . 6.500 4.932 3.062 6.619 0.119 13 0 "[ . 1 . 2 . 3]" 2
899 1 3 ILE HG13 1 70 HIS HD2 4.500 . 5.400 3.686 1.793 4.717 0.007 9 0 "[ . 1 . 2 . 3]" 2
900 1 3 ILE HG12 1 70 HIS HD2 4.500 . 5.400 2.557 1.707 3.178 0.093 17 0 "[ . 1 . 2 . 3]" 2
901 1 3 ILE MD 1 70 HIS HD2 3.500 . 5.300 3.156 2.432 4.130 . 0 0 "[ . 1 . 2 . 3]" 2
902 1 7 GLN HB3 1 70 HIS HE1 4.500 . 5.400 3.996 2.078 5.463 0.063 15 0 "[ . 1 . 2 . 3]" 2
903 1 7 GLN HB2 1 70 HIS HE1 4.500 . 5.400 4.153 2.669 5.268 . 0 0 "[ . 1 . 2 . 3]" 2
904 1 7 GLN QG 1 70 HIS HE1 4.500 . 6.500 4.097 1.778 5.679 0.022 26 0 "[ . 1 . 2 . 3]" 2
905 1 3 ILE HG13 1 70 HIS HE1 4.500 . 5.400 5.062 4.184 5.500 0.100 13 0 "[ . 1 . 2 . 3]" 2
906 1 3 ILE HG12 1 70 HIS HE1 4.500 . 5.400 3.996 2.993 5.237 . 0 0 "[ . 1 . 2 . 3]" 2
907 1 3 ILE MG 1 70 HIS HE1 2.500 . 4.100 3.594 1.999 4.175 0.075 28 0 "[ . 1 . 2 . 3]" 2
908 1 3 ILE MD 1 70 HIS HE1 4.500 . 6.500 5.153 3.790 6.144 . 0 0 "[ . 1 . 2 . 3]" 2
909 1 7 GLN QE 1 70 HIS HE1 3.500 . 5.300 3.350 2.019 5.094 . 0 0 "[ . 1 . 2 . 3]" 2
910 1 71 LEU H 1 71 LEU HA 2.500 . 3.000 2.769 2.734 2.817 . 0 0 "[ . 1 . 2 . 3]" 2
911 1 71 LEU H 1 71 LEU HB3 2.500 . 3.000 2.690 2.220 2.978 . 0 0 "[ . 1 . 2 . 3]" 2
912 1 71 LEU H 1 71 LEU HB2 2.500 . 3.000 2.307 2.013 2.782 . 0 0 "[ . 1 . 2 . 3]" 2
913 1 71 LEU H 1 71 LEU HG 2.500 . 4.100 4.255 4.200 4.341 0.241 14 0 "[ . 1 . 2 . 3]" 2
914 1 71 LEU H 1 71 LEU MD1 3.500 . 5.300 4.127 3.596 4.216 . 0 0 "[ . 1 . 2 . 3]" 2
915 1 71 LEU H 1 71 LEU MD2 3.500 . 5.300 4.156 3.174 4.352 . 0 0 "[ . 1 . 2 . 3]" 2
916 1 70 HIS HA 1 71 LEU H 3.500 . 4.200 3.558 3.537 3.578 . 0 0 "[ . 1 . 2 . 3]" 2
917 1 70 HIS HB3 1 71 LEU H 2.500 . 3.000 2.366 2.151 2.645 . 0 0 "[ . 1 . 2 . 3]" 2
918 1 70 HIS HB2 1 71 LEU H 2.500 . 3.000 3.125 2.984 3.261 0.261 20 0 "[ . 1 . 2 . 3]" 2
919 1 71 LEU H 1 72 VAL H 2.500 . 3.000 2.855 2.742 2.963 . 0 0 "[ . 1 . 2 . 3]" 2
920 1 71 LEU MD1 1 82 PRO QD 4.500 . 7.600 5.290 2.957 7.523 . 0 0 "[ . 1 . 2 . 3]" 2
921 1 71 LEU MD2 1 82 PRO QD 4.500 . 7.600 5.250 2.275 7.358 . 0 0 "[ . 1 . 2 . 3]" 2
922 1 71 LEU HB2 1 74 ALA MB 3.500 . 5.300 5.085 4.399 5.368 0.068 8 0 "[ . 1 . 2 . 3]" 2
923 1 71 LEU HB3 1 74 ALA MB 3.500 . 5.300 5.105 4.539 5.392 0.092 2 0 "[ . 1 . 2 . 3]" 2
924 1 71 LEU HG 1 74 ALA MB 3.500 . 6.400 4.138 3.407 5.361 . 0 0 "[ . 1 . 2 . 3]" 2
925 1 72 VAL H 1 72 VAL HA 2.500 . 3.000 2.769 2.736 2.804 . 0 0 "[ . 1 . 2 . 3]" 2
926 1 72 VAL H 1 72 VAL HB 2.500 . 3.000 2.567 2.427 2.633 . 0 0 "[ . 1 . 2 . 3]" 2
927 1 72 VAL H 1 72 VAL MG1 2.500 . 4.100 3.769 3.746 3.780 . 0 0 "[ . 1 . 2 . 3]" 2
928 1 72 VAL H 1 72 VAL MG2 2.500 . 4.100 2.132 1.939 2.435 . 0 0 "[ . 1 . 2 . 3]" 2
929 1 71 LEU HA 1 72 VAL H 4.500 . 5.400 3.563 3.545 3.586 . 0 0 "[ . 1 . 2 . 3]" 2
930 1 71 LEU HB3 1 72 VAL H 3.500 . 4.200 2.382 2.205 2.610 . 0 0 "[ . 1 . 2 . 3]" 2
931 1 71 LEU HB2 1 72 VAL H 3.500 . 4.200 3.621 3.268 3.960 . 0 0 "[ . 1 . 2 . 3]" 2
932 1 71 LEU HG 1 72 VAL H 3.500 . 5.300 4.518 2.809 4.922 . 0 0 "[ . 1 . 2 . 3]" 2
933 1 71 LEU MD1 1 72 VAL H 4.500 . 6.500 4.310 3.719 4.783 . 0 0 "[ . 1 . 2 . 3]" 2
934 1 71 LEU MD2 1 72 VAL H 3.500 . 5.300 3.361 2.963 4.547 . 0 0 "[ . 1 . 2 . 3]" 2
935 1 72 VAL H 1 73 VAL H 2.500 . 3.000 2.809 2.713 2.915 . 0 0 "[ . 1 . 2 . 3]" 2
936 1 69 PHE HA 1 72 VAL H 3.500 . 4.200 3.666 3.452 3.919 . 0 0 "[ . 1 . 2 . 3]" 2
937 1 72 VAL H 1 74 ALA H 4.500 . 5.400 4.364 4.073 4.571 . 0 0 "[ . 1 . 2 . 3]" 2
938 1 72 VAL HA 1 75 ARG HB3 3.500 . 4.200 3.526 2.708 4.266 0.066 18 0 "[ . 1 . 2 . 3]" 2
939 1 72 VAL HA 1 75 ARG HB2 3.500 . 4.200 3.277 2.296 4.312 0.112 24 0 "[ . 1 . 2 . 3]" 2
940 1 72 VAL HA 1 73 VAL HB 4.500 . 5.600 5.670 5.633 5.726 0.126 17 0 "[ . 1 . 2 . 3]" 2
941 1 73 VAL H 1 73 VAL HA 2.500 . 3.000 2.750 2.716 2.834 . 0 0 "[ . 1 . 2 . 3]" 2
942 1 73 VAL H 1 73 VAL HB 2.500 . 3.000 2.534 2.439 2.622 . 0 0 "[ . 1 . 2 . 3]" 2
943 1 73 VAL H 1 73 VAL MG2 2.500 . 4.100 2.138 1.955 2.378 . 0 0 "[ . 1 . 2 . 3]" 2
944 1 73 VAL H 1 73 VAL MG1 3.500 . 5.300 3.754 3.732 3.770 . 0 0 "[ . 1 . 2 . 3]" 2
945 1 72 VAL HA 1 73 VAL H 4.500 . 5.400 3.531 3.495 3.562 . 0 0 "[ . 1 . 2 . 3]" 2
946 1 72 VAL HB 1 73 VAL H 2.500 . 3.000 2.523 2.316 2.712 . 0 0 "[ . 1 . 2 . 3]" 2
947 1 72 VAL MG1 1 73 VAL H 4.500 . 6.500 3.356 3.120 3.563 . 0 0 "[ . 1 . 2 . 3]" 2
948 1 72 VAL MG2 1 73 VAL H 3.500 . 5.300 3.816 3.727 3.920 . 0 0 "[ . 1 . 2 . 3]" 2
949 1 69 PHE HA 1 73 VAL H 4.500 . 5.400 4.135 3.829 4.640 . 0 0 "[ . 1 . 2 . 3]" 2
950 1 69 PHE QD 1 73 VAL H 4.500 . 6.500 4.661 3.307 5.510 . 0 0 "[ . 1 . 2 . 3]" 2
951 1 73 VAL H 1 74 ALA H 2.500 . 3.000 2.878 2.677 3.029 0.029 3 0 "[ . 1 . 2 . 3]" 2
952 1 73 VAL HA 1 76 LYS QB 3.500 . 5.300 3.343 2.261 5.008 . 0 0 "[ . 1 . 2 . 3]" 2
953 1 74 ALA H 1 74 ALA HA 2.500 . 3.000 2.787 2.725 2.849 . 0 0 "[ . 1 . 2 . 3]" 2
954 1 74 ALA H 1 74 ALA MB 2.500 . 4.100 2.113 1.996 2.236 . 0 0 "[ . 1 . 2 . 3]" 2
955 1 73 VAL HA 1 74 ALA H 3.500 . 4.200 3.548 3.507 3.565 . 0 0 "[ . 1 . 2 . 3]" 2
956 1 73 VAL HB 1 74 ALA H 2.500 . 3.500 2.494 2.296 2.949 . 0 0 "[ . 1 . 2 . 3]" 2
957 1 73 VAL MG1 1 74 ALA H 3.500 . 4.200 3.294 3.022 3.661 . 0 0 "[ . 1 . 2 . 3]" 2
958 1 73 VAL MG2 1 74 ALA H 3.500 . 4.200 3.823 3.722 3.988 . 0 0 "[ . 1 . 2 . 3]" 2
959 1 74 ALA H 1 75 ARG H 2.500 . 3.000 2.800 2.555 3.015 0.015 3 0 "[ . 1 . 2 . 3]" 2
960 1 75 ARG H 1 75 ARG HB3 2.500 . 3.000 2.744 2.312 3.166 0.166 14 0 "[ . 1 . 2 . 3]" 2
961 1 75 ARG H 1 75 ARG HB2 2.500 . 3.000 2.357 2.054 2.823 . 0 0 "[ . 1 . 2 . 3]" 2
962 1 75 ARG H 1 75 ARG QG 3.500 . 5.300 3.934 3.505 4.063 . 0 0 "[ . 1 . 2 . 3]" 2
963 1 75 ARG H 1 75 ARG QD 4.500 . 6.500 4.342 3.440 4.922 . 0 0 "[ . 1 . 2 . 3]" 2
964 1 74 ALA MB 1 75 ARG H 2.500 . 4.100 2.584 2.357 2.787 . 0 0 "[ . 1 . 2 . 3]" 2
965 1 75 ARG H 1 76 LYS H 2.500 . 3.000 2.780 2.533 3.013 0.013 15 0 "[ . 1 . 2 . 3]" 2
966 1 40 LEU QD 1 75 ARG H 2.500 . 5.600 4.956 4.207 5.610 0.010 2 0 "[ . 1 . 2 . 3]" 2
967 1 76 LYS H 1 76 LYS HA 2.500 . 3.000 2.783 2.667 2.902 . 0 0 "[ . 1 . 2 . 3]" 2
968 1 76 LYS H 1 76 LYS QB 2.500 . 4.100 2.293 2.046 2.606 . 0 0 "[ . 1 . 2 . 3]" 2
969 1 76 LYS H 1 76 LYS QG 4.500 . 6.500 3.341 1.874 4.057 . 0 0 "[ . 1 . 2 . 3]" 2
970 1 76 LYS H 1 76 LYS QD 3.500 . 5.300 4.127 2.407 4.725 . 0 0 "[ . 1 . 2 . 3]" 2
971 1 75 ARG HA 1 76 LYS H 4.500 . 5.400 3.501 3.384 3.565 . 0 0 "[ . 1 . 2 . 3]" 2
972 1 75 ARG HB3 1 76 LYS H 3.500 . 4.200 2.803 2.397 3.365 . 0 0 "[ . 1 . 2 . 3]" 2
973 1 75 ARG HB2 1 76 LYS H 3.500 . 4.200 3.836 3.489 4.124 . 0 0 "[ . 1 . 2 . 3]" 2
974 1 73 VAL HA 1 76 LYS H 3.500 . 4.200 3.722 3.227 4.229 0.029 15 0 "[ . 1 . 2 . 3]" 2
975 1 76 LYS H 1 77 ASN H 2.500 . 3.000 2.747 2.386 3.032 0.032 6 0 "[ . 1 . 2 . 3]" 2
976 1 40 LEU QD 1 76 LYS H 3.500 . 6.300 4.265 3.559 4.880 . 0 0 "[ . 1 . 2 . 3]" 2
977 1 77 ASN H 1 77 ASN HA 2.500 . 3.000 2.888 2.755 2.950 . 0 0 "[ . 1 . 2 . 3]" 2
978 1 77 ASN H 1 77 ASN QB 2.500 . 4.100 2.614 2.143 3.379 . 0 0 "[ . 1 . 2 . 3]" 2
979 1 76 LYS HA 1 77 ASN H 2.500 . 3.500 3.502 3.372 3.558 0.058 9 0 "[ . 1 . 2 . 3]" 2
980 1 76 LYS QB 1 77 ASN H 3.500 . 5.300 2.751 2.338 3.442 . 0 0 "[ . 1 . 2 . 3]" 2
981 1 40 LEU QD 1 77 ASN H 3.500 . 6.300 5.929 5.310 6.356 0.056 4 0 "[ . 1 . 2 . 3]" 2
982 1 77 ASN H 1 78 GLY H 2.500 . 3.000 2.641 2.095 3.098 0.098 24 0 "[ . 1 . 2 . 3]" 2
983 1 78 GLY H 1 78 GLY HA3 2.500 . 3.000 2.777 2.465 2.958 . 0 0 "[ . 1 . 2 . 3]" 2
984 1 78 GLY H 1 78 GLY HA2 2.500 . 3.000 2.750 2.328 2.960 . 0 0 "[ . 1 . 2 . 3]" 2
985 1 77 ASN HA 1 78 GLY H 3.500 . 4.200 3.067 2.545 3.601 . 0 0 "[ . 1 . 2 . 3]" 2
986 1 77 ASN QB 1 78 GLY H 3.500 . 5.300 3.431 2.275 4.044 . 0 0 "[ . 1 . 2 . 3]" 2
987 1 78 GLY H 1 79 TYR H 3.500 . 4.200 3.430 1.926 4.347 0.147 3 0 "[ . 1 . 2 . 3]" 2
988 1 79 TYR H 1 79 TYR HA 2.500 . 3.000 2.820 2.268 2.949 . 0 0 "[ . 1 . 2 . 3]" 2
989 1 79 TYR H 1 79 TYR HB2 2.500 . 3.000 2.630 2.084 3.120 0.120 16 0 "[ . 1 . 2 . 3]" 2
990 1 78 GLY HA3 1 79 TYR H 3.500 . 4.200 2.792 2.108 3.590 . 0 0 "[ . 1 . 2 . 3]" 2
991 1 78 GLY HA2 1 79 TYR H 3.500 . 4.200 2.903 2.135 3.582 . 0 0 "[ . 1 . 2 . 3]" 2
992 1 79 TYR H 1 79 TYR QD 2.500 . 5.400 2.931 1.710 4.365 0.090 27 0 "[ . 1 . 2 . 3]" 2
993 1 79 TYR HA 1 79 TYR QD 3.500 . 6.600 2.776 1.856 3.180 . 0 0 "[ . 1 . 2 . 3]" 2
994 1 79 TYR HB3 1 79 TYR QD 2.500 . 5.400 2.386 2.272 2.765 . 0 0 "[ . 1 . 2 . 3]" 2
995 1 79 TYR HB2 1 79 TYR QD 2.500 . 5.400 2.531 2.276 2.766 . 0 0 "[ . 1 . 2 . 3]" 2
996 1 79 TYR HA 1 79 TYR QE 4.500 . 7.800 4.489 4.162 4.889 . 0 0 "[ . 1 . 2 . 3]" 2
997 1 80 ASP H 1 80 ASP HA 2.500 . 3.000 2.807 2.715 2.871 . 0 0 "[ . 1 . 2 . 3]" 2
998 1 80 ASP H 1 80 ASP HB3 3.500 . 4.200 2.761 2.301 3.383 . 0 0 "[ . 1 . 2 . 3]" 2
999 1 80 ASP H 1 80 ASP HB2 3.500 . 4.200 2.384 2.019 2.830 . 0 0 "[ . 1 . 2 . 3]" 2
1000 1 79 TYR HA 1 80 ASP H 3.500 . 4.200 2.628 2.145 3.581 . 0 0 "[ . 1 . 2 . 3]" 2
1001 1 79 TYR HB3 1 80 ASP H 3.500 . 5.300 3.227 1.751 4.490 0.049 20 0 "[ . 1 . 2 . 3]" 2
1002 1 79 TYR HB2 1 80 ASP H 3.500 . 5.300 3.759 2.112 4.621 . 0 0 "[ . 1 . 2 . 3]" 2
1003 1 79 TYR QD 1 80 ASP H 4.500 . 7.800 3.914 2.109 4.944 . 0 0 "[ . 1 . 2 . 3]" 2
1004 1 81 LEU H 1 81 LEU HA 2.500 . 3.000 2.861 2.274 2.953 . 0 0 "[ . 1 . 2 . 3]" 2
1005 1 81 LEU H 1 81 LEU HG 2.500 . 4.100 3.449 2.112 4.165 0.065 9 0 "[ . 1 . 2 . 3]" 2
1006 1 81 LEU H 1 81 LEU QD 3.500 . 6.300 2.606 1.641 3.875 0.159 13 0 "[ . 1 . 2 . 3]" 2
1007 1 80 ASP HA 1 81 LEU H 2.500 . 3.000 2.400 2.156 3.044 0.044 16 0 "[ . 1 . 2 . 3]" 2
1008 1 80 ASP HB2 1 81 LEU H 3.500 . 4.200 3.948 3.345 4.443 0.243 15 0 "[ . 1 . 2 . 3]" 2
1009 1 80 ASP HB3 1 81 LEU H 4.500 . 5.400 3.474 1.731 4.238 0.069 16 0 "[ . 1 . 2 . 3]" 2
1010 1 84 LYS H 1 84 LYS HA 2.500 . 3.000 2.787 2.257 2.960 . 0 0 "[ . 1 . 2 . 3]" 2
1011 1 84 LYS H 1 84 LYS QB 3.500 . 5.300 2.523 2.051 3.210 . 0 0 "[ . 1 . 2 . 3]" 2
1012 1 84 LYS H 1 84 LYS QG 3.500 . 5.300 3.210 2.040 4.168 . 0 0 "[ . 1 . 2 . 3]" 2
1013 1 84 LYS H 1 84 LYS QD 3.500 . 5.300 3.840 2.139 5.209 . 0 0 "[ . 1 . 2 . 3]" 2
1014 1 83 GLU HA 1 84 LYS H 4.500 . 5.400 2.525 2.124 3.588 . 0 0 "[ . 1 . 2 . 3]" 2
1015 1 83 GLU QB 1 84 LYS H 3.500 . 5.300 3.456 1.853 4.065 . 0 0 "[ . 1 . 2 . 3]" 2
1016 1 83 GLU QG 1 84 LYS H 4.500 . 6.500 4.097 1.949 4.879 . 0 0 "[ . 1 . 2 . 3]" 2
1017 1 85 LEU H 1 85 LEU HA 2.500 . 3.000 2.813 2.705 2.863 . 0 0 "[ . 1 . 2 . 3]" 2
1018 1 85 LEU H 1 85 LEU QB 2.500 . 4.100 2.124 1.988 2.270 . 0 0 "[ . 1 . 2 . 3]" 2
1019 1 85 LEU H 1 85 LEU QD 2.500 . 5.100 3.358 2.684 3.730 . 0 0 "[ . 1 . 2 . 3]" 2
1020 1 84 LYS QB 1 85 LEU H 3.500 . 5.300 2.909 1.750 3.904 0.050 7 0 "[ . 1 . 2 . 3]" 2
1021 1 84 LYS QG 1 85 LEU H 3.500 . 5.300 4.248 3.114 4.761 . 0 0 "[ . 1 . 2 . 3]" 2
1022 1 84 LYS QD 1 85 LEU H 3.500 . 5.300 4.737 2.142 5.509 0.209 20 0 "[ . 1 . 2 . 3]" 2
1023 1 85 LEU HA 1 86 PRO QD 2.500 . 4.100 2.226 1.848 3.521 . 0 0 "[ . 1 . 2 . 3]" 2
1024 1 85 LEU MD1 1 86 PRO QD 4.500 . 7.600 3.044 1.741 4.303 0.059 14 0 "[ . 1 . 2 . 3]" 2
1025 1 85 LEU MD2 1 86 PRO QD 3.500 . 6.400 3.287 1.697 4.536 0.103 20 0 "[ . 1 . 2 . 3]" 2
1026 1 85 LEU MD1 1 90 MET QG 3.500 . 6.400 4.248 2.219 6.288 . 0 0 "[ . 1 . 2 . 3]" 2
1027 1 85 LEU MD2 1 90 MET HB3 2.500 . 4.100 3.806 2.600 4.247 0.147 8 0 "[ . 1 . 2 . 3]" 2
1028 1 15 PHE HA 1 18 ILE HB 4.500 . 5.400 4.159 3.737 4.610 . 0 0 "[ . 1 . 2 . 3]" 2
1029 1 86 PRO QD 1 89 LEU MD1 3.500 . 6.400 4.852 3.426 6.241 . 0 0 "[ . 1 . 2 . 3]" 2
1030 1 86 PRO QD 1 89 LEU MD2 3.500 . 6.400 5.864 4.491 6.516 0.116 12 0 "[ . 1 . 2 . 3]" 2
1031 1 87 GLU H 1 87 GLU HA 2.500 . 3.000 2.816 2.725 2.944 . 0 0 "[ . 1 . 2 . 3]" 2
1032 1 87 GLU H 1 87 GLU QB 2.500 . 4.100 2.418 2.120 2.827 . 0 0 "[ . 1 . 2 . 3]" 2
1033 1 87 GLU H 1 87 GLU QG 3.500 . 5.300 2.752 1.739 4.039 0.061 28 0 "[ . 1 . 2 . 3]" 2
1034 1 86 PRO HA 1 87 GLU H 2.500 . 3.500 2.671 2.126 3.587 0.087 2 0 "[ . 1 . 2 . 3]" 2
1035 1 88 SER H 1 88 SER HA 2.500 . 3.000 2.930 2.914 2.946 . 0 0 "[ . 1 . 2 . 3]" 2
1036 1 88 SER H 1 88 SER QB 2.500 . 4.100 2.611 2.303 3.164 . 0 0 "[ . 1 . 2 . 3]" 2
1037 1 89 LEU H 1 89 LEU HA 2.500 . 3.000 2.933 2.918 2.951 . 0 0 "[ . 1 . 2 . 3]" 2
1038 1 89 LEU H 1 89 LEU QB 2.500 . 4.100 2.498 2.329 2.759 . 0 0 "[ . 1 . 2 . 3]" 2
1039 1 89 LEU H 1 89 LEU HG 2.500 . 4.100 3.509 2.535 4.120 0.020 19 0 "[ . 1 . 2 . 3]" 2
1040 1 89 LEU H 1 89 LEU MD1 4.500 . 6.500 3.032 1.720 4.503 0.080 25 0 "[ . 1 . 2 . 3]" 2
1041 1 89 LEU H 1 89 LEU MD2 4.500 . 6.500 3.916 2.284 4.495 . 0 0 "[ . 1 . 2 . 3]" 2
1042 1 89 LEU H 1 90 MET H 2.500 . 3.000 2.571 1.975 3.096 0.096 4 0 "[ . 1 . 2 . 3]" 2
1043 1 90 MET H 1 90 MET HA 2.500 . 3.000 2.849 2.637 2.937 . 0 0 "[ . 1 . 2 . 3]" 2
1044 1 90 MET H 1 90 MET HB3 2.500 . 3.500 3.524 3.216 3.735 0.235 25 0 "[ . 1 . 2 . 3]" 2
1045 1 90 MET H 1 90 MET HB2 2.500 . 3.000 2.433 2.047 3.093 0.093 13 0 "[ . 1 . 2 . 3]" 2
1046 1 90 MET H 1 90 MET QG 3.500 . 5.300 3.211 1.979 4.155 . 0 0 "[ . 1 . 2 . 3]" 2
1047 1 89 LEU QB 1 90 MET H 2.500 . 4.100 3.205 2.182 3.901 . 0 0 "[ . 1 . 2 . 3]" 2
1048 1 90 MET HA 1 91 PRO QD 2.500 . 4.100 2.378 1.817 3.513 . 0 0 "[ . 1 . 2 . 3]" 2
1049 1 89 LEU HA 1 90 MET H 3.500 . 4.200 3.133 2.520 3.585 . 0 0 "[ . 1 . 2 . 3]" 2
1050 1 92 LYS H 1 92 LYS HA 2.500 . 3.000 2.932 2.912 2.951 . 0 0 "[ . 1 . 2 . 3]" 2
1051 1 92 LYS H 1 92 LYS QB 3.500 . 5.300 2.615 2.272 2.852 . 0 0 "[ . 1 . 2 . 3]" 2
1052 1 92 LYS H 1 92 LYS QG 4.500 . 6.500 3.177 2.427 4.153 . 0 0 "[ . 1 . 2 . 3]" 2
1053 1 91 PRO HA 1 92 LYS H 2.500 . 3.000 2.480 2.159 2.998 . 0 0 "[ . 1 . 2 . 3]" 2
1054 1 91 PRO QB 1 92 LYS H 2.500 . 4.100 2.823 1.626 4.006 0.174 21 0 "[ . 1 . 2 . 3]" 2
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