NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389817 |
1ntc   |
4348 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ntc
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 12
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 27.760
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0195
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.1239
_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 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 28 LEU 0.491 0.148 21 0 "[ . 1 . 2 . ]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 55 LEU 0.501 0.147 24 0 "[ . 1 . 2 . ]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 28 LEU 0.501 0.147 24 0 "[ . 1 . 2 . ]"
2 43 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 55 LEU 0.491 0.148 21 0 "[ . 1 . 2 . ]"
2 74 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 ALA MB 2 54 THR MG 5.800 . 6.000 3.004 1.916 3.576 . 0 0 "[ . 1 . 2 . ]" 1
2 1 54 THR MG 2 25 ALA MB 5.800 . 6.000 3.005 1.923 3.581 . 0 0 "[ . 1 . 2 . ]" 1
3 1 28 LEU MD2 2 54 THR MG . . 5.200 2.782 2.083 3.555 . 0 0 "[ . 1 . 2 . ]" 1
4 1 54 THR MG 2 28 LEU MD2 . . 5.200 2.781 2.086 3.558 . 0 0 "[ . 1 . 2 . ]" 1
5 1 28 LEU MD1 2 55 LEU MD2 . . 5.200 2.555 1.652 3.078 0.148 21 0 "[ . 1 . 2 . ]" 1
6 1 55 LEU MD2 2 28 LEU MD1 . . 5.200 2.555 1.653 3.077 0.147 24 0 "[ . 1 . 2 . ]" 1
7 1 43 LEU QB 2 74 LEU MD2 4.300 . 4.500 2.189 1.871 2.443 . 0 0 "[ . 1 . 2 . ]" 1
8 1 74 LEU MD2 2 43 LEU QB 4.300 . 4.500 2.189 1.873 2.438 . 0 0 "[ . 1 . 2 . ]" 1
9 1 47 ALA MB 2 55 LEU MD1 7.500 . 7.500 4.927 4.570 5.195 . 0 0 "[ . 1 . 2 . ]" 1
10 1 55 LEU MD1 2 47 ALA MB 7.500 . 7.500 4.927 4.565 5.193 . 0 0 "[ . 1 . 2 . ]" 1
11 1 51 LEU MD1 2 51 LEU MD2 5.800 . 6.000 3.670 3.187 3.920 . 0 0 "[ . 1 . 2 . ]" 1
12 1 51 LEU MD2 2 51 LEU MD1 5.800 . 6.000 3.671 3.180 3.920 . 0 0 "[ . 1 . 2 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 19
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 48.728
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0335
_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 22 ASP 0.736 0.055 15 0 "[ . 1 . 2 . ]"
1 23 SER 1.205 0.331 28 0 "[ . 1 . 2 . ]"
1 24 TRP 0.994 0.331 28 0 "[ . 1 . 2 . ]"
1 25 ALA 0.023 0.023 28 0 "[ . 1 . 2 . ]"
1 47 ALA 0.011 0.011 23 0 "[ . 1 . 2 . ]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 51 LEU 0.064 0.023 1 0 "[ . 1 . 2 . ]"
2 22 ASP 0.449 0.049 28 0 "[ . 1 . 2 . ]"
2 23 SER 0.265 0.055 15 0 "[ . 1 . 2 . ]"
2 24 TRP 0.940 0.331 28 0 "[ . 1 . 2 . ]"
2 25 ALA 0.023 0.023 28 0 "[ . 1 . 2 . ]"
2 51 LEU 0.064 0.023 1 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ASP H 1 22 ASP HA . . 2.900 2.908 2.835 2.949 0.049 28 0 "[ . 1 . 2 . ]" 2
2 1 22 ASP H 1 22 ASP HB3 2.400 . 2.700 2.541 2.338 2.708 0.008 2 0 "[ . 1 . 2 . ]" 2
3 1 22 ASP H 1 22 ASP HB2 2.400 . 2.700 2.380 2.183 2.563 . 0 0 "[ . 1 . 2 . ]" 2
4 1 22 ASP HA 1 23 SER H 3.300 . 3.500 2.841 2.209 3.555 0.055 15 0 "[ . 1 . 2 . ]" 2
5 1 22 ASP HB3 1 23 SER H 5.000 . 5.000 3.579 1.948 4.371 . 0 0 "[ . 1 . 2 . ]" 2
6 1 22 ASP HB2 1 23 SER H 5.000 . 5.000 4.248 3.447 4.680 . 0 0 "[ . 1 . 2 . ]" 2
7 1 22 ASP HA 1 25 ALA MB 6.500 . 6.500 4.650 2.917 6.523 0.023 28 0 "[ . 1 . 2 . ]" 2
8 1 23 SER H 1 23 SER QB 3.400 . 3.700 2.389 1.922 2.699 . 0 0 "[ . 1 . 2 . ]" 2
9 1 23 SER H 1 24 TRP H 3.300 . 3.500 3.396 2.438 3.831 0.331 28 0 "[ . 1 . 2 . ]" 2
10 1 23 SER QB 1 24 TRP H 4.300 . 4.500 3.510 1.832 4.052 . 0 0 "[ . 1 . 2 . ]" 2
11 1 24 TRP HE3 1 51 LEU MD1 6.500 . 6.500 3.613 3.387 5.266 . 0 0 "[ . 1 . 2 . ]" 2
12 1 24 TRP HH2 1 51 LEU HA 5.000 . 5.000 4.819 4.321 5.023 0.023 1 0 "[ . 1 . 2 . ]" 2
13 1 24 TRP HH2 1 51 LEU QB 4.300 . 4.500 3.699 2.883 4.022 . 0 0 "[ . 1 . 2 . ]" 2
14 1 24 TRP HH2 1 51 LEU MD1 4.800 . 5.000 2.393 1.870 3.360 . 0 0 "[ . 1 . 2 . ]" 2
15 1 24 TRP HH2 1 51 LEU MD2 6.500 . 6.500 3.845 2.922 4.381 . 0 0 "[ . 1 . 2 . ]" 2
16 1 47 ALA HA 1 51 LEU MD1 6.500 . 6.500 3.920 3.569 4.181 . 0 0 "[ . 1 . 2 . ]" 2
17 1 47 ALA MB 1 51 LEU MD1 4.900 . 5.200 1.908 1.789 2.040 0.011 23 0 "[ . 1 . 2 . ]" 2
18 1 48 GLN HA 1 51 LEU HB3 5.000 . 5.000 3.691 3.389 3.912 . 0 0 "[ . 1 . 2 . ]" 2
19 1 48 GLN HA 1 51 LEU HB2 5.000 . 5.000 4.574 4.238 4.935 . 0 0 "[ . 1 . 2 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 536
_Distance_constraint_stats_list.Viol_count 1127
_Distance_constraint_stats_list.Viol_total 872.277
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0276
_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 21 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 23 SER 0.081 0.081 28 0 "[ . 1 . 2 . ]"
1 24 TRP 3.551 0.176 23 0 "[ . 1 . 2 . ]"
1 25 ALA 2.549 0.094 26 0 "[ . 1 . 2 . ]"
1 26 THR 0.581 0.081 28 0 "[ . 1 . 2 . ]"
1 27 LEU 1.038 0.063 18 0 "[ . 1 . 2 . ]"
1 28 LEU 3.434 0.094 26 0 "[ . 1 . 2 . ]"
1 29 ALA 0.577 0.063 21 0 "[ . 1 . 2 . ]"
1 30 GLN 1.162 0.052 24 0 "[ . 1 . 2 . ]"
1 31 TRP 0.641 0.034 18 0 "[ . 1 . 2 . ]"
1 32 ALA 0.559 0.052 26 0 "[ . 1 . 2 . ]"
1 33 ASP 0.852 0.052 26 0 "[ . 1 . 2 . ]"
1 34 ARG 1.111 0.066 27 0 "[ . 1 . 2 . ]"
1 35 ALA 1.401 0.066 27 0 "[ . 1 . 2 . ]"
1 36 LEU 0.427 0.251 27 0 "[ . 1 . 2 . ]"
1 37 ARG 0.832 0.065 4 0 "[ . 1 . 2 . ]"
1 38 SER 0.128 0.065 4 0 "[ . 1 . 2 . ]"
1 39 GLY 0.370 0.081 25 0 "[ . 1 . 2 . ]"
1 40 HIS 1.648 0.170 25 0 "[ . 1 . 2 . ]"
1 41 GLN 1.376 0.097 17 0 "[ . 1 . 2 . ]"
1 42 ASN 0.904 0.053 27 0 "[ . 1 . 2 . ]"
1 43 LEU 0.089 0.020 21 0 "[ . 1 . 2 . ]"
1 44 LEU 1.322 0.102 19 0 "[ . 1 . 2 . ]"
1 45 SER 0.795 0.038 20 0 "[ . 1 . 2 . ]"
1 46 GLU 0.019 0.010 10 0 "[ . 1 . 2 . ]"
1 47 ALA 0.049 0.031 28 0 "[ . 1 . 2 . ]"
1 48 GLN 0.029 0.016 9 0 "[ . 1 . 2 . ]"
1 49 PRO 0.017 0.011 5 0 "[ . 1 . 2 . ]"
1 50 GLU 0.203 0.039 28 0 "[ . 1 . 2 . ]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 52 GLU 0.017 0.011 5 0 "[ . 1 . 2 . ]"
1 53 ARG 0.366 0.039 28 0 "[ . 1 . 2 . ]"
1 54 THR 0.008 0.008 5 0 "[ . 1 . 2 . ]"
1 55 LEU 0.744 0.144 20 0 "[ . 1 . 2 . ]"
1 56 LEU 0.177 0.023 9 0 "[ . 1 . 2 . ]"
1 57 THR 0.242 0.035 26 0 "[ . 1 . 2 . ]"
1 58 THR 0.718 0.042 22 0 "[ . 1 . 2 . ]"
1 59 ALA 1.868 0.056 11 0 "[ . 1 . 2 . ]"
1 60 LEU 2.063 0.045 8 0 "[ . 1 . 2 . ]"
1 61 ARG 3.053 0.045 8 0 "[ . 1 . 2 . ]"
1 62 HIS 1.868 0.056 11 0 "[ . 1 . 2 . ]"
1 63 THR 0.041 0.034 14 0 "[ . 1 . 2 . ]"
1 64 GLN 1.275 0.040 9 0 "[ . 1 . 2 . ]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 66 HIS 0.150 0.032 12 0 "[ . 1 . 2 . ]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 70 ALA 0.017 0.009 10 0 "[ . 1 . 2 . ]"
1 71 ALA 0.770 0.046 14 0 "[ . 1 . 2 . ]"
1 72 ARG 0.044 0.015 19 0 "[ . 1 . 2 . ]"
1 73 LEU 0.084 0.034 14 0 "[ . 1 . 2 . ]"
1 74 LEU 0.769 0.144 20 0 "[ . 1 . 2 . ]"
1 75 GLY 0.983 0.056 5 0 "[ . 1 . 2 . ]"
1 76 TRP 1.027 0.056 5 0 "[ . 1 . 2 . ]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 78 ALA 2.120 0.073 20 0 "[ . 1 . 2 . ]"
1 79 ALA 0.576 0.046 15 0 "[ . 1 . 2 . ]"
1 80 THR 0.056 0.034 16 0 "[ . 1 . 2 . ]"
1 81 LEU 2.771 0.073 20 0 "[ . 1 . 2 . ]"
1 82 THR 0.447 0.039 16 0 "[ . 1 . 2 . ]"
1 83 ALA 0.164 0.034 16 0 "[ . 1 . 2 . ]"
1 84 LYS 0.108 0.018 18 0 "[ . 1 . 2 . ]"
1 85 LEU 0.447 0.039 16 0 "[ . 1 . 2 . ]"
1 86 LYS 0.024 0.019 21 0 "[ . 1 . 2 . ]"
1 87 GLU 0.015 0.008 11 0 "[ . 1 . 2 . ]"
1 88 LEU 0.145 0.022 28 0 "[ . 1 . 2 . ]"
1 89 GLY 0.024 0.019 21 0 "[ . 1 . 2 . ]"
1 90 MET 0.855 0.073 19 0 "[ . 1 . 2 . ]"
1 91 GLU 0.795 0.073 19 0 "[ . 1 . 2 . ]"
2 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 55 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 58 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 59 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 62 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 73 LEU 0.011 0.004 5 0 "[ . 1 . 2 . ]"
2 74 LEU 0.265 0.031 19 0 "[ . 1 . 2 . ]"
2 76 TRP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 ALA HA 2 54 THR MG 4.800 . 5.000 3.104 2.073 3.817 . 0 0 "[ . 1 . 2 . ]" 3
2 1 28 LEU MD1 2 51 LEU MD1 4.900 . 5.200 3.242 3.086 3.458 . 0 0 "[ . 1 . 2 . ]" 3
3 1 28 LEU MD1 2 51 LEU MD2 7.500 . 7.500 4.813 4.546 5.061 . 0 0 "[ . 1 . 2 . ]" 3
4 1 28 LEU MD2 2 51 LEU HG 6.500 . 6.500 3.595 2.851 5.265 . 0 0 "[ . 1 . 2 . ]" 3
5 1 28 LEU MD1 2 55 LEU MD1 7.500 . 7.500 4.480 3.683 4.886 . 0 0 "[ . 1 . 2 . ]" 3
6 1 28 LEU MD2 2 54 THR HB 6.500 . 6.500 3.286 2.133 5.084 . 0 0 "[ . 1 . 2 . ]" 3
7 1 29 ALA HA 2 58 THR MG 4.800 . 5.000 2.645 1.915 3.519 . 0 0 "[ . 1 . 2 . ]" 3
8 1 29 ALA HA 2 54 THR MG 4.800 . 5.000 3.916 3.624 4.099 . 0 0 "[ . 1 . 2 . ]" 3
9 1 29 ALA MB 2 54 THR MG 4.900 . 5.200 3.423 3.060 3.546 . 0 0 "[ . 1 . 2 . ]" 3
10 1 32 ALA MB 2 55 LEU MD1 5.800 . 6.000 2.478 1.851 2.892 . 0 0 "[ . 1 . 2 . ]" 3
11 1 32 ALA MB 2 55 LEU MD2 4.900 . 5.200 2.409 1.856 3.144 . 0 0 "[ . 1 . 2 . ]" 3
12 1 32 ALA MB 2 58 THR HB 4.800 . 5.000 3.272 2.575 3.866 . 0 0 "[ . 1 . 2 . ]" 3
13 1 36 LEU MD1 2 73 LEU MD2 7.500 . 7.500 2.295 1.796 4.429 0.004 5 0 "[ . 1 . 2 . ]" 3
14 1 36 LEU MD2 2 73 LEU MD2 7.500 . 7.500 2.400 1.796 4.335 0.004 20 0 "[ . 1 . 2 . ]" 3
15 1 36 LEU MD1 2 62 HIS HB3 6.500 . 6.500 4.388 3.099 4.956 . 0 0 "[ . 1 . 2 . ]" 3
16 1 36 LEU MD1 2 62 HIS HB2 6.500 . 6.500 3.931 2.500 4.696 . 0 0 "[ . 1 . 2 . ]" 3
17 1 36 LEU MD1 2 62 HIS HD2 6.500 . 6.500 4.513 3.072 5.172 . 0 0 "[ . 1 . 2 . ]" 3
18 1 43 LEU MD1 2 55 LEU MD1 5.800 . 6.000 3.273 2.701 3.802 . 0 0 "[ . 1 . 2 . ]" 3
19 1 43 LEU MD2 2 55 LEU MD1 7.500 . 7.500 2.280 1.810 2.577 . 0 0 "[ . 1 . 2 . ]" 3
20 1 43 LEU MD1 2 59 ALA MB 5.800 . 6.000 3.308 2.447 3.958 . 0 0 "[ . 1 . 2 . ]" 3
21 1 43 LEU MD2 2 59 ALA MB 5.800 . 6.000 3.781 3.629 3.924 . 0 0 "[ . 1 . 2 . ]" 3
22 1 43 LEU H 2 74 LEU HA 3.300 . 3.500 3.293 2.881 3.519 0.019 27 0 "[ . 1 . 2 . ]" 3
23 1 43 LEU QB 2 74 LEU HA 4.300 . 4.500 2.480 2.147 3.026 . 0 0 "[ . 1 . 2 . ]" 3
24 1 43 LEU MD1 2 74 LEU HA 6.500 . 6.500 2.745 2.288 3.231 . 0 0 "[ . 1 . 2 . ]" 3
25 1 44 LEU MD1 2 52 GLU HA 6.500 . 6.500 3.343 2.599 3.903 . 0 0 "[ . 1 . 2 . ]" 3
26 1 44 LEU MD1 2 55 LEU MD1 5.800 . 6.000 3.079 2.630 3.644 . 0 0 "[ . 1 . 2 . ]" 3
27 1 44 LEU MD1 2 55 LEU MD2 7.500 . 7.500 4.578 3.866 5.026 . 0 0 "[ . 1 . 2 . ]" 3
28 1 44 LEU H 2 74 LEU HA 3.300 . 3.500 3.452 3.239 3.531 0.031 19 0 "[ . 1 . 2 . ]" 3
29 1 44 LEU HG 2 74 LEU HA 5.000 . 5.000 4.955 4.550 5.017 0.017 9 0 "[ . 1 . 2 . ]" 3
30 1 44 LEU HG 2 74 LEU QB 4.300 . 4.500 3.549 2.848 3.702 . 0 0 "[ . 1 . 2 . ]" 3
31 1 44 LEU HG 2 74 LEU MD2 4.800 . 5.000 2.213 1.917 3.377 . 0 0 "[ . 1 . 2 . ]" 3
32 1 44 LEU HB3 2 74 LEU MD2 6.500 . 6.500 4.083 3.728 4.927 . 0 0 "[ . 1 . 2 . ]" 3
33 1 44 LEU HB2 2 74 LEU MD2 6.500 . 6.500 2.868 2.420 3.865 . 0 0 "[ . 1 . 2 . ]" 3
34 1 44 LEU MD2 2 76 TRP HZ2 6.500 . 6.500 3.044 2.320 3.964 . 0 0 "[ . 1 . 2 . ]" 3
35 1 44 LEU MD1 2 76 TRP HZ2 6.500 . 6.500 2.484 1.943 2.878 . 0 0 "[ . 1 . 2 . ]" 3
36 1 44 LEU MD1 2 76 TRP HE1 4.800 . 5.000 3.383 2.785 3.860 . 0 0 "[ . 1 . 2 . ]" 3
37 1 44 LEU MD2 2 76 TRP HE1 6.500 . 6.500 4.646 3.877 5.374 . 0 0 "[ . 1 . 2 . ]" 3
38 1 48 GLN HA 2 51 LEU MD1 4.800 . 5.000 3.992 3.828 4.144 . 0 0 "[ . 1 . 2 . ]" 3
39 1 48 GLN HA 2 51 LEU MD2 4.800 . 5.000 2.307 1.836 2.948 . 0 0 "[ . 1 . 2 . ]" 3
40 1 24 TRP H 1 24 TRP HD1 3.300 . 3.500 3.554 2.758 3.676 0.176 23 0 "[ . 1 . 2 . ]" 3
41 1 24 TRP H 1 25 ALA H 3.300 . 3.500 3.268 2.905 3.370 . 0 0 "[ . 1 . 2 . ]" 3
42 1 24 TRP HA 1 27 LEU HG 5.000 . 5.000 4.339 4.199 4.477 . 0 0 "[ . 1 . 2 . ]" 3
43 1 24 TRP HA 1 27 LEU MD1 4.800 . 5.000 3.958 3.767 4.021 . 0 0 "[ . 1 . 2 . ]" 3
44 1 24 TRP HA 1 27 LEU MD2 6.500 . 6.500 5.193 5.114 5.265 . 0 0 "[ . 1 . 2 . ]" 3
45 1 24 TRP QB 1 27 LEU QB 7.000 . 7.000 4.358 3.447 4.469 . 0 0 "[ . 1 . 2 . ]" 3
46 1 24 TRP HE3 1 28 LEU MD1 4.800 . 5.000 3.878 3.473 4.309 . 0 0 "[ . 1 . 2 . ]" 3
47 1 24 TRP HE3 1 28 LEU MD2 4.800 . 5.000 2.726 2.239 3.931 . 0 0 "[ . 1 . 2 . ]" 3
48 1 24 TRP HZ3 1 28 LEU MD1 6.500 . 6.500 3.016 1.880 3.393 . 0 0 "[ . 1 . 2 . ]" 3
49 1 24 TRP HZ3 1 28 LEU MD2 3.900 . 4.200 2.054 1.872 2.357 . 0 0 "[ . 1 . 2 . ]" 3
50 1 24 TRP HH2 1 28 LEU MD2 6.500 . 6.500 3.508 2.180 3.763 . 0 0 "[ . 1 . 2 . ]" 3
51 1 24 TRP HZ2 1 47 ALA HA 5.000 . 5.000 3.991 3.471 5.018 0.018 28 0 "[ . 1 . 2 . ]" 3
52 1 24 TRP HZ2 1 47 ALA MB 4.800 . 5.000 3.868 3.645 4.014 . 0 0 "[ . 1 . 2 . ]" 3
53 1 24 TRP HH2 1 47 ALA MB 6.500 . 6.500 2.050 1.769 2.454 0.031 28 0 "[ . 1 . 2 . ]" 3
54 1 25 ALA HA 1 28 LEU MD2 4.800 . 5.000 3.389 2.976 4.085 . 0 0 "[ . 1 . 2 . ]" 3
55 1 25 ALA HA 1 28 LEU MD1 6.500 . 6.500 4.553 4.401 4.631 . 0 0 "[ . 1 . 2 . ]" 3
56 1 27 LEU MD1 1 47 ALA MB 7.500 . 7.500 5.065 4.885 5.143 . 0 0 "[ . 1 . 2 . ]" 3
57 1 28 LEU MD1 1 31 TRP HZ3 6.500 . 6.500 2.687 1.928 3.552 . 0 0 "[ . 1 . 2 . ]" 3
58 1 28 LEU MD1 1 31 TRP HE3 4.800 . 5.000 2.069 1.897 2.871 . 0 0 "[ . 1 . 2 . ]" 3
59 1 28 LEU MD1 1 32 ALA MB 5.800 . 6.000 3.765 3.458 3.905 . 0 0 "[ . 1 . 2 . ]" 3
60 1 28 LEU MD1 1 47 ALA MB 5.800 . 6.000 2.357 1.892 3.247 . 0 0 "[ . 1 . 2 . ]" 3
61 1 31 TRP HZ3 1 43 LEU MD2 6.500 2.500 6.500 3.022 2.745 3.434 . 0 0 "[ . 1 . 2 . ]" 3
62 1 31 TRP HZ3 1 43 LEU MD1 6.500 2.500 6.500 5.443 5.309 5.491 . 0 0 "[ . 1 . 2 . ]" 3
63 1 31 TRP HZ3 1 43 LEU QB 6.000 . 6.000 3.790 3.188 4.507 . 0 0 "[ . 1 . 2 . ]" 3
64 1 31 TRP HH2 1 43 LEU HA 3.300 . 3.500 2.153 1.931 3.022 . 0 0 "[ . 1 . 2 . ]" 3
65 1 31 TRP HH2 1 43 LEU QB 6.000 . 6.000 3.901 2.815 4.414 . 0 0 "[ . 1 . 2 . ]" 3
66 1 31 TRP HH2 1 43 LEU MD2 4.800 . 5.000 3.465 2.929 3.948 . 0 0 "[ . 1 . 2 . ]" 3
67 1 32 ALA HA 1 43 LEU MD2 4.800 . 5.000 1.910 1.801 2.190 . 0 0 "[ . 1 . 2 . ]" 3
68 1 32 ALA HA 1 43 LEU MD1 4.800 . 5.000 3.919 3.426 4.074 . 0 0 "[ . 1 . 2 . ]" 3
69 1 32 ALA MB 1 43 LEU MD1 5.800 . 6.000 3.749 3.075 3.987 . 0 0 "[ . 1 . 2 . ]" 3
70 1 32 ALA MB 1 43 LEU MD2 4.900 . 5.200 2.178 1.902 2.731 . 0 0 "[ . 1 . 2 . ]" 3
71 1 35 ALA MB 1 40 HIS HB3 4.800 . 5.000 2.665 1.952 3.146 . 0 0 "[ . 1 . 2 . ]" 3
72 1 35 ALA MB 1 40 HIS HB2 4.800 . 5.000 2.879 1.924 3.750 . 0 0 "[ . 1 . 2 . ]" 3
73 1 35 ALA MB 1 40 HIS HD1 6.500 . 6.500 4.608 2.387 5.130 . 0 0 "[ . 1 . 2 . ]" 3
74 1 40 HIS HB3 1 43 LEU MD2 4.800 . 5.000 3.898 3.495 4.053 . 0 0 "[ . 1 . 2 . ]" 3
75 1 40 HIS HB2 1 43 LEU MD2 4.800 . 5.000 3.386 2.979 4.059 . 0 0 "[ . 1 . 2 . ]" 3
76 1 40 HIS HB3 1 43 LEU MD1 6.500 . 6.500 3.002 1.865 3.425 . 0 0 "[ . 1 . 2 . ]" 3
77 1 40 HIS HB2 1 43 LEU MD1 6.500 . 6.500 2.027 1.780 3.502 0.020 21 0 "[ . 1 . 2 . ]" 3
78 1 49 PRO HA 1 88 LEU MD2 3.900 . 4.200 2.153 1.929 2.549 . 0 0 "[ . 1 . 2 . ]" 3
79 1 49 PRO QD 1 88 LEU QB 4.900 . 5.200 3.533 3.445 3.598 . 0 0 "[ . 1 . 2 . ]" 3
80 1 52 GLU QB 1 88 LEU MD1 5.800 . 6.000 2.002 1.877 2.180 . 0 0 "[ . 1 . 2 . ]" 3
81 1 53 ARG H 1 88 LEU MD1 6.500 . 6.500 4.245 4.004 4.520 . 0 0 "[ . 1 . 2 . ]" 3
82 1 53 ARG H 1 88 LEU MD2 6.500 . 6.500 5.202 4.900 5.282 . 0 0 "[ . 1 . 2 . ]" 3
83 1 55 LEU MD1 1 74 LEU MD2 5.800 . 6.000 1.806 1.656 1.953 0.144 20 0 "[ . 1 . 2 . ]" 3
84 1 56 LEU HA 1 74 LEU MD1 4.800 . 5.000 2.562 1.990 3.004 . 0 0 "[ . 1 . 2 . ]" 3
85 1 56 LEU HA 1 74 LEU MD2 4.800 . 5.000 3.423 2.958 3.910 . 0 0 "[ . 1 . 2 . ]" 3
86 1 56 LEU H 1 74 LEU MD2 6.500 . 6.500 4.324 3.703 4.868 . 0 0 "[ . 1 . 2 . ]" 3
87 1 56 LEU MD1 1 74 LEU MD1 4.900 . 5.200 2.727 1.941 3.471 . 0 0 "[ . 1 . 2 . ]" 3
88 1 56 LEU MD1 1 76 TRP HZ3 4.800 . 5.000 2.948 2.135 3.780 . 0 0 "[ . 1 . 2 . ]" 3
89 1 59 ALA MB 1 73 LEU MD1 5.800 . 6.000 3.093 1.950 3.970 . 0 0 "[ . 1 . 2 . ]" 3
90 1 59 ALA H 1 74 LEU HG 6.200 . 6.400 5.614 5.298 6.212 . 0 0 "[ . 1 . 2 . ]" 3
91 1 59 ALA H 1 74 LEU MD2 4.800 . 5.000 3.904 3.529 4.056 . 0 0 "[ . 1 . 2 . ]" 3
92 1 59 ALA MB 1 74 LEU MD1 4.900 . 5.200 2.441 2.158 2.797 . 0 0 "[ . 1 . 2 . ]" 3
93 1 59 ALA MB 1 74 LEU MD2 5.800 . 6.000 2.301 1.948 2.591 . 0 0 "[ . 1 . 2 . ]" 3
94 1 60 LEU MD2 1 65 GLY H 4.800 . 5.000 3.111 2.972 3.301 . 0 0 "[ . 1 . 2 . ]" 3
95 1 60 LEU MD2 1 65 GLY QA 5.800 . 6.000 4.124 4.060 4.217 . 0 0 "[ . 1 . 2 . ]" 3
96 1 60 LEU MD2 1 67 LYS HA 3.900 . 4.200 3.301 3.181 3.394 . 0 0 "[ . 1 . 2 . ]" 3
97 1 60 LEU H 1 70 ALA MB 4.800 . 5.000 3.605 3.321 3.939 . 0 0 "[ . 1 . 2 . ]" 3
98 1 60 LEU HA 1 70 ALA MB 4.800 . 5.000 2.765 2.434 3.177 . 0 0 "[ . 1 . 2 . ]" 3
99 1 60 LEU MD1 1 70 ALA MB 5.800 . 6.000 2.717 2.441 3.061 . 0 0 "[ . 1 . 2 . ]" 3
100 1 60 LEU MD2 1 66 HIS H 6.500 . 6.500 5.266 5.068 5.350 . 0 0 "[ . 1 . 2 . ]" 3
101 1 63 THR MG 1 70 ALA H 4.800 . 5.000 4.033 3.955 4.071 . 0 0 "[ . 1 . 2 . ]" 3
102 1 63 THR MG 1 70 ALA HA 4.800 . 5.000 3.917 3.769 4.025 . 0 0 "[ . 1 . 2 . ]" 3
103 1 63 THR MG 1 73 LEU MD1 4.900 . 5.200 2.052 1.766 3.504 0.034 14 0 "[ . 1 . 2 . ]" 3
104 1 67 LYS HA 1 81 LEU MD2 4.800 . 5.000 3.994 3.818 4.095 . 0 0 "[ . 1 . 2 . ]" 3
105 1 70 ALA HA 1 81 LEU MD1 4.800 . 5.000 4.055 3.884 4.103 . 0 0 "[ . 1 . 2 . ]" 3
106 1 70 ALA MB 1 81 LEU MD1 4.900 . 5.200 2.231 1.896 2.408 . 0 0 "[ . 1 . 2 . ]" 3
107 1 70 ALA MB 1 81 LEU MD2 4.900 . 5.200 2.601 2.281 2.959 . 0 0 "[ . 1 . 2 . ]" 3
108 1 70 ALA MB 1 81 LEU HG 6.500 . 6.500 3.878 3.694 4.027 . 0 0 "[ . 1 . 2 . ]" 3
109 1 71 ALA MB 1 76 TRP HB3 5.800 . 6.000 4.011 3.508 4.358 . 0 0 "[ . 1 . 2 . ]" 3
110 1 71 ALA MB 1 76 TRP HB2 5.800 . 6.000 3.707 3.467 3.951 . 0 0 "[ . 1 . 2 . ]" 3
111 1 71 ALA H 1 81 LEU MD1 6.500 . 6.500 2.304 2.239 2.386 . 0 0 "[ . 1 . 2 . ]" 3
112 1 71 ALA H 1 81 LEU MD2 6.500 . 6.500 4.212 4.041 4.417 . 0 0 "[ . 1 . 2 . ]" 3
113 1 71 ALA HA 1 81 LEU MD1 4.800 . 5.000 1.773 1.754 1.819 0.046 14 0 "[ . 1 . 2 . ]" 3
114 1 71 ALA HA 1 81 LEU MD2 4.800 . 5.000 4.224 4.177 4.263 . 0 0 "[ . 1 . 2 . ]" 3
115 1 71 ALA MB 1 81 LEU MD1 4.900 . 5.200 1.831 1.807 1.865 . 0 0 "[ . 1 . 2 . ]" 3
116 1 74 LEU MD1 1 76 TRP HE3 4.800 . 5.000 3.793 3.325 4.018 . 0 0 "[ . 1 . 2 . ]" 3
117 1 74 LEU MD1 1 76 TRP HZ2 6.500 . 6.500 5.249 5.019 5.301 . 0 0 "[ . 1 . 2 . ]" 3
118 1 74 LEU MD1 1 76 TRP HZ3 6.500 . 6.500 4.446 3.935 4.726 . 0 0 "[ . 1 . 2 . ]" 3
119 1 76 TRP HA 1 80 THR HB 5.000 . 5.000 3.572 3.135 3.929 . 0 0 "[ . 1 . 2 . ]" 3
120 1 76 TRP QB 1 80 THR HB 4.800 . 5.000 2.237 1.938 2.749 . 0 0 "[ . 1 . 2 . ]" 3
121 1 76 TRP HD1 1 80 THR MG 4.800 . 5.000 3.834 3.268 4.038 . 0 0 "[ . 1 . 2 . ]" 3
122 1 76 TRP HE1 1 80 THR MG 6.500 . 6.500 4.172 3.743 4.392 . 0 0 "[ . 1 . 2 . ]" 3
123 1 76 TRP HE3 1 81 LEU HA 3.300 . 3.500 2.362 1.960 2.725 . 0 0 "[ . 1 . 2 . ]" 3
124 1 76 TRP HE3 1 81 LEU HB3 5.000 . 5.000 4.642 4.261 4.870 . 0 0 "[ . 1 . 2 . ]" 3
125 1 76 TRP HE3 1 81 LEU HB2 5.000 . 5.000 3.842 3.435 4.135 . 0 0 "[ . 1 . 2 . ]" 3
126 1 76 TRP HE3 1 81 LEU MD1 4.800 . 5.000 3.579 3.278 3.880 . 0 0 "[ . 1 . 2 . ]" 3
127 1 77 GLY H 1 80 THR MG 6.500 . 6.500 4.376 3.093 4.808 . 0 0 "[ . 1 . 2 . ]" 3
128 1 80 THR MG 1 84 LYS H 6.500 . 6.500 3.702 3.499 3.947 . 0 0 "[ . 1 . 2 . ]" 3
129 1 82 THR HA 1 85 LEU MD1 4.800 . 5.000 3.550 3.052 4.025 . 0 0 "[ . 1 . 2 . ]" 3
130 1 21 PRO HA 1 22 ASP H 2.400 . 2.700 2.422 2.217 2.674 . 0 0 "[ . 1 . 2 . ]" 3
131 1 23 SER HA 1 26 THR HB 5.000 . 5.000 3.800 2.352 5.081 0.081 28 0 "[ . 1 . 2 . ]" 3
132 1 24 TRP HA 1 25 ALA H 5.000 . 5.000 3.589 3.518 3.600 . 0 0 "[ . 1 . 2 . ]" 3
133 1 24 TRP HE3 1 25 ALA MB 6.500 . 6.500 4.210 4.020 4.733 . 0 0 "[ . 1 . 2 . ]" 3
134 1 24 TRP HE3 1 25 ALA HA 3.300 . 3.500 3.434 3.267 3.569 0.069 23 0 "[ . 1 . 2 . ]" 3
135 1 24 TRP H 1 26 THR H 5.000 . 5.000 4.425 4.098 4.593 . 0 0 "[ . 1 . 2 . ]" 3
136 1 24 TRP HA 1 26 THR H 5.000 . 5.000 4.629 3.940 4.811 . 0 0 "[ . 1 . 2 . ]" 3
137 1 24 TRP HA 1 27 LEU HB3 3.300 . 3.500 2.627 2.525 2.684 . 0 0 "[ . 1 . 2 . ]" 3
138 1 24 TRP HA 1 27 LEU HB2 3.300 . 3.500 3.507 3.412 3.563 0.063 18 0 "[ . 1 . 2 . ]" 3
139 1 24 TRP HA 1 27 LEU H 3.300 . 3.500 3.504 3.037 3.554 0.054 13 0 "[ . 1 . 2 . ]" 3
140 1 24 TRP HA 1 28 LEU H 5.000 . 5.000 4.259 4.170 4.430 . 0 0 "[ . 1 . 2 . ]" 3
141 1 24 TRP HZ2 1 28 LEU MD2 6.500 . 6.500 5.042 3.852 5.312 . 0 0 "[ . 1 . 2 . ]" 3
142 1 25 ALA H 1 26 THR H 3.300 . 3.500 2.991 2.703 3.072 . 0 0 "[ . 1 . 2 . ]" 3
143 1 25 ALA HA 1 26 THR H 5.000 . 5.000 3.590 3.537 3.601 . 0 0 "[ . 1 . 2 . ]" 3
144 1 25 ALA MB 1 26 THR H 4.800 . 5.000 2.413 2.237 2.606 . 0 0 "[ . 1 . 2 . ]" 3
145 1 25 ALA HA 1 27 LEU H 5.000 . 5.000 4.330 4.179 4.724 . 0 0 "[ . 1 . 2 . ]" 3
146 1 25 ALA HA 1 28 LEU H 3.300 . 3.500 3.221 3.146 3.355 . 0 0 "[ . 1 . 2 . ]" 3
147 1 25 ALA HA 1 28 LEU HB3 2.400 . 2.700 2.750 2.472 2.794 0.094 26 0 "[ . 1 . 2 . ]" 3
148 1 25 ALA HA 1 28 LEU HB2 2.400 . 2.700 2.643 2.217 2.744 0.044 12 0 "[ . 1 . 2 . ]" 3
149 1 25 ALA HA 1 29 ALA H 5.000 . 5.000 3.937 3.757 4.272 . 0 0 "[ . 1 . 2 . ]" 3
150 1 26 THR H 1 26 THR HA 2.400 . 2.900 2.852 2.837 2.882 . 0 0 "[ . 1 . 2 . ]" 3
151 1 26 THR H 1 26 THR HB 2.400 . 2.900 2.609 2.231 2.827 . 0 0 "[ . 1 . 2 . ]" 3
152 1 26 THR H 1 27 LEU H 2.400 . 2.900 2.686 2.600 2.736 . 0 0 "[ . 1 . 2 . ]" 3
153 1 26 THR HA 1 27 LEU H 5.000 . 5.000 3.548 3.530 3.571 . 0 0 "[ . 1 . 2 . ]" 3
154 1 26 THR H 1 28 LEU H 5.000 . 5.000 3.912 3.678 4.010 . 0 0 "[ . 1 . 2 . ]" 3
155 1 26 THR HA 1 28 LEU H 5.000 . 5.000 4.132 3.948 4.300 . 0 0 "[ . 1 . 2 . ]" 3
156 1 26 THR HA 1 29 ALA H 3.300 . 3.500 3.510 3.396 3.563 0.063 21 0 "[ . 1 . 2 . ]" 3
157 1 26 THR HA 1 29 ALA MB 3.900 . 4.200 2.855 2.639 3.180 . 0 0 "[ . 1 . 2 . ]" 3
158 1 26 THR HB 1 27 LEU H 4.300 . 4.500 2.569 2.250 2.717 . 0 0 "[ . 1 . 2 . ]" 3
159 1 26 THR MG 1 27 LEU H 6.500 . 6.500 3.699 3.208 3.961 . 0 0 "[ . 1 . 2 . ]" 3
160 1 27 LEU HA 1 27 LEU MD1 3.900 . 4.200 3.131 3.046 3.422 . 0 0 "[ . 1 . 2 . ]" 3
161 1 27 LEU HA 1 28 LEU H 5.000 . 5.000 3.496 3.463 3.527 . 0 0 "[ . 1 . 2 . ]" 3
162 1 27 LEU H 1 29 ALA H 5.000 . 5.000 4.147 3.952 4.494 . 0 0 "[ . 1 . 2 . ]" 3
163 1 27 LEU HA 1 30 GLN H 5.000 . 5.000 3.719 3.599 3.856 . 0 0 "[ . 1 . 2 . ]" 3
164 1 27 LEU HA 1 30 GLN QB 4.300 . 4.500 2.925 2.650 3.145 . 0 0 "[ . 1 . 2 . ]" 3
165 1 27 LEU HA 1 31 TRP H 5.000 . 5.000 3.758 3.638 3.882 . 0 0 "[ . 1 . 2 . ]" 3
166 1 27 LEU QB 1 28 LEU H 4.300 . 4.500 2.792 2.653 2.899 . 0 0 "[ . 1 . 2 . ]" 3
167 1 28 LEU H 1 28 LEU HA 2.400 . 2.900 2.922 2.894 2.938 0.038 5 0 "[ . 1 . 2 . ]" 3
168 1 28 LEU HA 1 28 LEU MD1 3.900 . 4.200 1.985 1.876 2.382 . 0 0 "[ . 1 . 2 . ]" 3
169 1 28 LEU HA 1 31 TRP H 3.300 . 3.500 3.516 3.481 3.534 0.034 18 0 "[ . 1 . 2 . ]" 3
170 1 28 LEU H 1 29 ALA H 3.300 . 3.500 2.457 2.338 2.580 . 0 0 "[ . 1 . 2 . ]" 3
171 1 28 LEU HA 1 31 TRP QB 6.000 . 6.000 2.364 2.123 2.684 . 0 0 "[ . 1 . 2 . ]" 3
172 1 28 LEU MD2 1 31 TRP HZ3 4.800 . 5.000 4.058 3.979 4.132 . 0 0 "[ . 1 . 2 . ]" 3
173 1 29 ALA H 1 29 ALA HA 2.400 . 2.900 2.894 2.857 2.916 0.016 23 0 "[ . 1 . 2 . ]" 3
174 1 29 ALA H 1 30 GLN H 3.300 . 3.500 2.582 2.471 2.800 . 0 0 "[ . 1 . 2 . ]" 3
175 1 29 ALA HA 1 30 GLN H 5.000 . 5.000 3.550 3.485 3.593 . 0 0 "[ . 1 . 2 . ]" 3
176 1 29 ALA MB 1 30 GLN H 3.900 . 4.200 2.545 2.178 2.825 . 0 0 "[ . 1 . 2 . ]" 3
177 1 29 ALA MB 1 30 GLN QG 4.900 . 5.200 3.235 2.974 3.654 . 0 0 "[ . 1 . 2 . ]" 3
178 1 29 ALA HA 1 32 ALA MB 3.900 . 4.200 3.189 3.035 3.386 . 0 0 "[ . 1 . 2 . ]" 3
179 1 29 ALA HA 1 33 ASP H 5.000 . 5.000 4.576 4.179 5.007 0.007 26 0 "[ . 1 . 2 . ]" 3
180 1 30 GLN H 1 30 GLN HA 2.400 . 2.900 2.927 2.884 2.952 0.052 24 0 "[ . 1 . 2 . ]" 3
181 1 30 GLN H 1 30 GLN HB3 3.300 . 3.500 3.471 3.363 3.509 0.009 8 0 "[ . 1 . 2 . ]" 3
182 1 30 GLN H 1 30 GLN HB2 3.300 . 3.500 2.131 2.009 2.207 . 0 0 "[ . 1 . 2 . ]" 3
183 1 30 GLN H 1 30 GLN HG3 3.300 . 3.500 3.012 2.519 3.423 . 0 0 "[ . 1 . 2 . ]" 3
184 1 30 GLN H 1 30 GLN HG2 3.300 . 3.500 3.303 2.912 3.509 0.009 15 0 "[ . 1 . 2 . ]" 3
185 1 30 GLN HA 1 30 GLN HG3 3.300 . 3.500 3.335 3.076 3.534 0.034 19 0 "[ . 1 . 2 . ]" 3
186 1 30 GLN HA 1 30 GLN HG2 3.300 . 3.500 2.131 1.993 2.258 . 0 0 "[ . 1 . 2 . ]" 3
187 1 30 GLN H 1 31 TRP H 3.300 . 3.500 2.438 2.307 2.589 . 0 0 "[ . 1 . 2 . ]" 3
188 1 30 GLN HA 1 31 TRP H 5.000 . 5.000 3.552 3.533 3.576 . 0 0 "[ . 1 . 2 . ]" 3
189 1 30 GLN HB3 1 31 TRP H 3.300 . 3.500 3.447 3.161 3.515 0.015 5 0 "[ . 1 . 2 . ]" 3
190 1 30 GLN HB2 1 31 TRP H 3.300 . 3.500 2.734 2.603 2.852 . 0 0 "[ . 1 . 2 . ]" 3
191 1 30 GLN HG3 1 31 TRP H 5.000 . 5.000 4.727 4.454 4.960 . 0 0 "[ . 1 . 2 . ]" 3
192 1 30 GLN HG2 1 31 TRP H 5.000 . 5.000 4.792 4.622 4.916 . 0 0 "[ . 1 . 2 . ]" 3
193 1 30 GLN H 1 32 ALA H 5.000 . 5.000 4.343 3.876 4.596 . 0 0 "[ . 1 . 2 . ]" 3
194 1 30 GLN HA 1 33 ASP QB 3.400 . 3.700 2.608 2.336 3.208 . 0 0 "[ . 1 . 2 . ]" 3
195 1 30 GLN HA 1 33 ASP H 3.300 . 3.600 3.589 3.496 3.623 0.023 1 0 "[ . 1 . 2 . ]" 3
196 1 30 GLN HA 1 34 ARG H 5.000 . 5.000 4.038 3.811 4.342 . 0 0 "[ . 1 . 2 . ]" 3
197 1 31 TRP H 1 31 TRP HB3 3.300 . 3.500 2.249 2.191 2.345 . 0 0 "[ . 1 . 2 . ]" 3
198 1 31 TRP H 1 31 TRP HB2 3.300 . 3.500 2.608 2.536 2.658 . 0 0 "[ . 1 . 2 . ]" 3
199 1 31 TRP H 1 32 ALA H 3.300 . 3.500 2.820 2.626 2.970 . 0 0 "[ . 1 . 2 . ]" 3
200 1 31 TRP HA 1 32 ALA H 5.000 . 5.000 3.590 3.547 3.596 . 0 0 "[ . 1 . 2 . ]" 3
201 1 31 TRP HB3 1 32 ALA H 5.000 . 5.000 2.319 2.196 2.685 . 0 0 "[ . 1 . 2 . ]" 3
202 1 31 TRP HB2 1 32 ALA H 5.000 . 5.000 3.775 3.695 3.969 . 0 0 "[ . 1 . 2 . ]" 3
203 1 31 TRP HE3 1 32 ALA MB 6.500 . 6.500 3.003 2.458 3.905 . 0 0 "[ . 1 . 2 . ]" 3
204 1 31 TRP H 1 33 ASP H 5.000 . 5.000 3.916 3.780 4.298 . 0 0 "[ . 1 . 2 . ]" 3
205 1 31 TRP HA 1 34 ARG H 3.300 . 3.500 3.444 3.342 3.516 0.016 11 0 "[ . 1 . 2 . ]" 3
206 1 31 TRP HA 1 35 ALA H 5.000 . 5.000 4.108 3.646 4.470 . 0 0 "[ . 1 . 2 . ]" 3
207 1 32 ALA H 1 33 ASP H 3.300 . 3.500 2.762 2.693 2.807 . 0 0 "[ . 1 . 2 . ]" 3
208 1 32 ALA HA 1 33 ASP H 3.300 . 3.500 3.519 3.490 3.552 0.052 26 0 "[ . 1 . 2 . ]" 3
209 1 32 ALA H 1 34 ARG H 5.000 . 5.000 4.499 4.299 4.648 . 0 0 "[ . 1 . 2 . ]" 3
210 1 32 ALA HA 1 34 ARG H 5.000 . 5.000 4.822 4.587 5.003 0.003 24 0 "[ . 1 . 2 . ]" 3
211 1 32 ALA HA 1 35 ALA H 5.000 . 5.000 3.777 3.637 3.936 . 0 0 "[ . 1 . 2 . ]" 3
212 1 32 ALA HA 1 35 ALA MB 3.400 . 3.700 2.863 2.710 2.986 . 0 0 "[ . 1 . 2 . ]" 3
213 1 32 ALA HA 1 36 LEU H 5.000 . 5.000 4.203 4.017 4.342 . 0 0 "[ . 1 . 2 . ]" 3
214 1 33 ASP H 1 34 ARG H 2.400 . 2.900 2.577 2.517 2.694 . 0 0 "[ . 1 . 2 . ]" 3
215 1 33 ASP QB 1 34 ARG H 4.300 . 4.500 2.381 2.225 2.563 . 0 0 "[ . 1 . 2 . ]" 3
216 1 33 ASP H 1 36 LEU MD1 6.500 . 6.500 4.869 3.952 5.292 . 0 0 "[ . 1 . 2 . ]" 3
217 1 33 ASP HA 1 36 LEU H 5.000 . 5.000 3.318 3.195 3.479 . 0 0 "[ . 1 . 2 . ]" 3
218 1 33 ASP HA 1 36 LEU HB3 3.300 . 3.500 3.425 2.246 3.523 0.023 15 0 "[ . 1 . 2 . ]" 3
219 1 33 ASP HA 1 36 LEU HB2 3.300 . 3.500 2.427 2.190 3.510 0.010 27 0 "[ . 1 . 2 . ]" 3
220 1 34 ARG H 1 34 ARG HA 2.400 . 2.900 2.835 2.818 2.864 . 0 0 "[ . 1 . 2 . ]" 3
221 1 34 ARG H 1 34 ARG QD 6.000 . 6.000 4.112 3.395 4.725 . 0 0 "[ . 1 . 2 . ]" 3
222 1 34 ARG HA 1 34 ARG QD 4.300 . 4.500 3.401 1.928 4.032 . 0 0 "[ . 1 . 2 . ]" 3
223 1 34 ARG H 1 35 ALA H 2.400 . 2.900 2.733 2.641 2.824 . 0 0 "[ . 1 . 2 . ]" 3
224 1 34 ARG HA 1 35 ALA H 3.300 . 3.500 3.537 3.510 3.566 0.066 27 0 "[ . 1 . 2 . ]" 3
225 1 34 ARG H 1 36 LEU H 5.000 . 5.000 4.162 3.844 4.337 . 0 0 "[ . 1 . 2 . ]" 3
226 1 34 ARG HA 1 37 ARG H 5.000 . 5.000 3.781 3.481 4.031 . 0 0 "[ . 1 . 2 . ]" 3
227 1 34 ARG QB 1 35 ALA H 4.300 . 4.500 2.642 2.481 2.863 . 0 0 "[ . 1 . 2 . ]" 3
228 1 35 ALA H 1 35 ALA HA 2.400 . 2.900 2.910 2.872 2.941 0.041 26 0 "[ . 1 . 2 . ]" 3
229 1 35 ALA H 1 36 LEU H 3.300 . 3.500 2.508 2.353 2.601 . 0 0 "[ . 1 . 2 . ]" 3
230 1 35 ALA HA 1 37 ARG H 5.000 . 5.000 4.278 3.876 4.586 . 0 0 "[ . 1 . 2 . ]" 3
231 1 35 ALA HA 1 38 SER H 5.000 . 5.000 3.741 3.080 4.948 . 0 0 "[ . 1 . 2 . ]" 3
232 1 35 ALA MB 1 36 LEU H 4.300 . 4.500 2.594 2.465 2.900 . 0 0 "[ . 1 . 2 . ]" 3
233 1 36 LEU H 1 36 LEU HA 2.400 . 2.900 2.849 2.792 2.920 0.020 27 0 "[ . 1 . 2 . ]" 3
234 1 36 LEU H 1 36 LEU HB3 3.300 . 3.500 3.153 2.046 3.323 . 0 0 "[ . 1 . 2 . ]" 3
235 1 36 LEU H 1 36 LEU HB2 3.300 . 3.500 1.976 1.936 2.829 . 0 0 "[ . 1 . 2 . ]" 3
236 1 36 LEU H 1 36 LEU MD1 3.900 . 4.200 2.881 2.516 3.364 . 0 0 "[ . 1 . 2 . ]" 3
237 1 36 LEU H 1 36 LEU MD2 4.800 . 5.000 4.086 3.961 4.267 . 0 0 "[ . 1 . 2 . ]" 3
238 1 36 LEU HA 1 36 LEU HG 3.300 . 3.500 2.339 2.047 3.751 0.251 27 0 "[ . 1 . 2 . ]" 3
239 1 36 LEU HA 1 36 LEU MD1 3.900 . 4.200 2.421 1.941 3.598 . 0 0 "[ . 1 . 2 . ]" 3
240 1 36 LEU H 1 37 ARG H 3.300 . 3.500 2.730 2.457 2.953 . 0 0 "[ . 1 . 2 . ]" 3
241 1 36 LEU HA 1 37 ARG H 5.000 . 5.000 3.552 3.473 3.588 . 0 0 "[ . 1 . 2 . ]" 3
242 1 36 LEU QB 1 37 ARG H 4.300 . 4.500 2.673 2.403 3.034 . 0 0 "[ . 1 . 2 . ]" 3
243 1 36 LEU MD1 1 37 ARG H 6.500 . 6.500 4.451 2.182 4.904 . 0 0 "[ . 1 . 2 . ]" 3
244 1 36 LEU MD2 1 37 ARG H 6.500 . 6.500 4.590 3.735 4.970 . 0 0 "[ . 1 . 2 . ]" 3
245 1 36 LEU H 1 38 SER H 5.000 . 5.000 4.264 3.791 5.007 0.007 10 0 "[ . 1 . 2 . ]" 3
246 1 36 LEU HA 1 40 HIS H 3.300 . 3.500 3.193 2.597 3.476 . 0 0 "[ . 1 . 2 . ]" 3
247 1 37 ARG H 1 37 ARG HA 2.400 . 2.900 2.912 2.823 2.951 0.051 23 0 "[ . 1 . 2 . ]" 3
248 1 37 ARG H 1 38 SER H 3.300 . 3.500 2.789 2.342 3.494 . 0 0 "[ . 1 . 2 . ]" 3
249 1 37 ARG HA 1 38 SER H 3.300 . 3.500 3.268 2.723 3.565 0.065 4 0 "[ . 1 . 2 . ]" 3
250 1 38 SER QB 1 39 GLY H 4.300 . 4.500 2.925 1.895 4.045 . 0 0 "[ . 1 . 2 . ]" 3
251 1 39 GLY H 1 39 GLY HA3 2.400 . 2.900 2.827 2.677 2.981 0.081 25 0 "[ . 1 . 2 . ]" 3
252 1 39 GLY H 1 39 GLY HA2 2.400 . 2.900 2.624 2.345 2.952 0.052 14 0 "[ . 1 . 2 . ]" 3
253 1 39 GLY H 1 40 HIS H 3.300 . 3.500 3.039 2.012 3.521 0.021 11 0 "[ . 1 . 2 . ]" 3
254 1 39 GLY HA3 1 40 HIS H 5.000 . 5.000 3.544 3.440 3.589 . 0 0 "[ . 1 . 2 . ]" 3
255 1 39 GLY HA2 1 40 HIS H 5.000 . 5.000 2.459 2.236 2.857 . 0 0 "[ . 1 . 2 . ]" 3
256 1 40 HIS H 1 40 HIS HB3 3.300 . 3.500 2.587 2.331 3.283 . 0 0 "[ . 1 . 2 . ]" 3
257 1 40 HIS H 1 40 HIS HD1 3.300 . 3.500 2.404 1.922 3.537 0.037 11 0 "[ . 1 . 2 . ]" 3
258 1 40 HIS H 1 40 HIS HB2 3.300 . 3.500 3.362 1.941 3.568 0.068 11 0 "[ . 1 . 2 . ]" 3
259 1 40 HIS HA 1 40 HIS HB3 2.400 . 2.700 2.494 2.414 2.825 0.125 22 0 "[ . 1 . 2 . ]" 3
260 1 40 HIS HA 1 40 HIS HB2 2.400 . 2.700 2.531 2.430 2.870 0.170 25 0 "[ . 1 . 2 . ]" 3
261 1 40 HIS HA 1 41 GLN H 2.400 . 2.700 2.421 2.209 2.698 . 0 0 "[ . 1 . 2 . ]" 3
262 1 40 HIS HB3 1 41 GLN H 5.000 . 5.000 3.911 2.488 4.503 . 0 0 "[ . 1 . 2 . ]" 3
263 1 40 HIS HB2 1 41 GLN H 5.000 . 5.000 2.918 2.081 4.665 . 0 0 "[ . 1 . 2 . ]" 3
264 1 41 GLN H 1 41 GLN HA 2.400 . 2.900 2.934 2.852 2.972 0.072 17 0 "[ . 1 . 2 . ]" 3
265 1 41 GLN H 1 41 GLN HB3 3.300 . 3.500 3.176 2.425 3.535 0.035 24 0 "[ . 1 . 2 . ]" 3
266 1 41 GLN H 1 41 GLN HB2 3.300 . 3.500 2.992 1.969 3.597 0.097 17 0 "[ . 1 . 2 . ]" 3
267 1 41 GLN H 1 42 ASN H 5.000 . 5.000 3.284 2.244 4.438 . 0 0 "[ . 1 . 2 . ]" 3
268 1 41 GLN HB3 1 42 ASN H 5.000 . 5.000 2.252 1.925 4.006 . 0 0 "[ . 1 . 2 . ]" 3
269 1 41 GLN HB2 1 42 ASN H 5.000 . 5.000 3.028 1.919 3.895 . 0 0 "[ . 1 . 2 . ]" 3
270 1 42 ASN H 1 42 ASN HA 2.400 . 2.900 2.909 2.813 2.953 0.053 27 0 "[ . 1 . 2 . ]" 3
271 1 42 ASN H 1 43 LEU H 5.000 . 5.000 3.752 3.114 4.418 . 0 0 "[ . 1 . 2 . ]" 3
272 1 42 ASN HA 1 43 LEU H 3.300 . 3.500 2.557 2.243 2.918 . 0 0 "[ . 1 . 2 . ]" 3
273 1 42 ASN HA 1 43 LEU QB 6.000 . 6.000 4.369 4.217 4.564 . 0 0 "[ . 1 . 2 . ]" 3
274 1 42 ASN HA 1 45 SER H 5.000 . 5.000 3.570 3.165 4.039 . 0 0 "[ . 1 . 2 . ]" 3
275 1 43 LEU H 1 43 LEU HG 3.300 . 3.300 3.000 2.704 3.315 0.015 26 0 "[ . 1 . 2 . ]" 3
276 1 43 LEU HA 1 43 LEU MD2 3.900 . 4.200 2.628 2.075 3.113 . 0 0 "[ . 1 . 2 . ]" 3
277 1 43 LEU QB 1 44 LEU H 4.300 . 4.500 2.109 1.965 2.336 . 0 0 "[ . 1 . 2 . ]" 3
278 1 43 LEU H 1 44 LEU H 5.000 . 5.000 3.017 2.595 3.306 . 0 0 "[ . 1 . 2 . ]" 3
279 1 43 LEU HA 1 44 LEU H 5.000 . 5.000 3.570 3.543 3.594 . 0 0 "[ . 1 . 2 . ]" 3
280 1 43 LEU HA 1 46 GLU H 5.000 . 5.000 3.975 3.578 4.535 . 0 0 "[ . 1 . 2 . ]" 3
281 1 43 LEU HA 1 46 GLU QB 6.000 . 6.000 3.283 2.841 3.995 . 0 0 "[ . 1 . 2 . ]" 3
282 1 44 LEU H 1 44 LEU HA 2.400 . 2.900 2.861 2.784 2.948 0.048 16 0 "[ . 1 . 2 . ]" 3
283 1 44 LEU H 1 44 LEU HB3 3.300 . 3.500 3.437 3.365 3.481 . 0 0 "[ . 1 . 2 . ]" 3
284 1 44 LEU H 1 44 LEU HB2 3.300 . 3.500 2.082 2.011 2.162 . 0 0 "[ . 1 . 2 . ]" 3
285 1 44 LEU H 1 44 LEU HG 3.300 . 3.500 2.801 2.467 3.602 0.102 19 0 "[ . 1 . 2 . ]" 3
286 1 44 LEU HA 1 44 LEU HG 3.300 . 3.500 2.566 2.353 3.571 0.071 19 0 "[ . 1 . 2 . ]" 3
287 1 44 LEU HA 1 44 LEU MD2 3.900 . 4.200 2.092 1.904 2.361 . 0 0 "[ . 1 . 2 . ]" 3
288 1 44 LEU H 1 45 SER H 3.300 . 3.500 2.643 2.330 2.859 . 0 0 "[ . 1 . 2 . ]" 3
289 1 44 LEU HA 1 45 SER H 3.300 . 3.500 3.517 3.493 3.538 0.038 20 0 "[ . 1 . 2 . ]" 3
290 1 44 LEU HA 1 47 ALA H 5.000 . 5.000 3.584 3.377 3.779 . 0 0 "[ . 1 . 2 . ]" 3
291 1 44 LEU HA 1 47 ALA MB 4.800 . 5.000 3.358 2.946 3.660 . 0 0 "[ . 1 . 2 . ]" 3
292 1 44 LEU HB3 1 45 SER H 3.300 . 3.500 3.504 3.428 3.532 0.032 5 0 "[ . 1 . 2 . ]" 3
293 1 44 LEU HB2 1 45 SER H 3.300 . 3.500 2.966 2.786 3.144 . 0 0 "[ . 1 . 2 . ]" 3
294 1 44 LEU MD2 1 45 SER H 6.500 . 6.500 4.653 4.044 4.753 . 0 0 "[ . 1 . 2 . ]" 3
295 1 44 LEU HA 1 48 GLN H 5.000 . 5.000 3.971 3.727 4.257 . 0 0 "[ . 1 . 2 . ]" 3
296 1 45 SER H 1 45 SER HA 2.400 . 2.900 2.884 2.849 2.911 0.011 7 0 "[ . 1 . 2 . ]" 3
297 1 45 SER H 1 46 GLU H 3.300 . 3.500 2.623 2.525 2.741 . 0 0 "[ . 1 . 2 . ]" 3
298 1 45 SER HA 1 46 GLU H 5.000 . 5.000 3.463 3.423 3.501 . 0 0 "[ . 1 . 2 . ]" 3
299 1 45 SER QB 1 46 GLU H 4.300 . 4.500 3.082 2.938 3.683 . 0 0 "[ . 1 . 2 . ]" 3
300 1 45 SER HA 1 48 GLN QB 6.000 . 6.200 2.452 2.090 2.668 . 0 0 "[ . 1 . 2 . ]" 3
301 1 46 GLU H 1 46 GLU QG 3.900 . 4.100 3.408 2.789 3.711 . 0 0 "[ . 1 . 2 . ]" 3
302 1 46 GLU HA 1 46 GLU HG3 2.400 . 2.700 2.532 2.206 2.710 0.010 10 0 "[ . 1 . 2 . ]" 3
303 1 46 GLU HA 1 46 GLU HG2 2.400 . 2.700 2.346 2.143 2.655 . 0 0 "[ . 1 . 2 . ]" 3
304 1 46 GLU H 1 47 ALA H 2.400 . 2.700 2.517 2.413 2.695 . 0 0 "[ . 1 . 2 . ]" 3
305 1 47 ALA H 1 48 GLN H 3.300 . 3.500 2.488 2.355 2.560 . 0 0 "[ . 1 . 2 . ]" 3
306 1 47 ALA MB 1 48 GLN H 4.800 . 5.000 3.011 2.850 3.195 . 0 0 "[ . 1 . 2 . ]" 3
307 1 47 ALA HA 1 50 GLU H 5.000 . 5.000 3.157 3.077 3.244 . 0 0 "[ . 1 . 2 . ]" 3
308 1 47 ALA HA 1 50 GLU HB3 3.300 . 3.500 3.051 2.494 3.497 . 0 0 "[ . 1 . 2 . ]" 3
309 1 47 ALA HA 1 50 GLU HB2 3.300 . 3.500 2.037 1.927 2.436 . 0 0 "[ . 1 . 2 . ]" 3
310 1 48 GLN HA 1 48 GLN HG3 2.400 . 2.700 2.488 2.197 2.716 0.016 9 0 "[ . 1 . 2 . ]" 3
311 1 48 GLN HA 1 48 GLN HG2 2.400 . 2.700 2.384 2.146 2.655 . 0 0 "[ . 1 . 2 . ]" 3
312 1 48 GLN H 1 49 PRO HD3 3.300 . 3.500 3.202 3.109 3.323 . 0 0 "[ . 1 . 2 . ]" 3
313 1 48 GLN H 1 49 PRO HD2 3.300 . 3.500 2.221 2.157 2.282 . 0 0 "[ . 1 . 2 . ]" 3
314 1 48 GLN HA 1 51 LEU H 5.000 . 5.000 4.054 3.808 4.252 . 0 0 "[ . 1 . 2 . ]" 3
315 1 49 PRO HA 1 50 GLU H 5.000 . 5.000 3.499 3.446 3.550 . 0 0 "[ . 1 . 2 . ]" 3
316 1 49 PRO HD3 1 50 GLU H 5.000 . 5.000 3.875 3.818 3.938 . 0 0 "[ . 1 . 2 . ]" 3
317 1 49 PRO HD2 1 50 GLU H 5.000 . 5.000 2.692 2.603 2.795 . 0 0 "[ . 1 . 2 . ]" 3
318 1 49 PRO HA 1 52 GLU HB3 3.300 . 3.500 3.148 2.574 3.511 0.011 5 0 "[ . 1 . 2 . ]" 3
319 1 49 PRO HA 1 52 GLU HB2 3.300 . 3.500 2.544 2.024 3.395 . 0 0 "[ . 1 . 2 . ]" 3
320 1 50 GLU H 1 50 GLU QG 4.300 . 4.500 3.500 2.136 4.022 . 0 0 "[ . 1 . 2 . ]" 3
321 1 50 GLU H 1 51 LEU H 3.300 . 3.500 2.742 2.536 2.943 . 0 0 "[ . 1 . 2 . ]" 3
322 1 50 GLU HA 1 51 LEU H 5.000 . 5.000 3.579 3.548 3.593 . 0 0 "[ . 1 . 2 . ]" 3
323 1 50 GLU HA 1 53 ARG H 5.000 . 5.000 3.740 3.644 3.882 . 0 0 "[ . 1 . 2 . ]" 3
324 1 50 GLU HA 1 53 ARG HB3 3.300 . 3.500 3.174 2.799 3.509 0.009 26 0 "[ . 1 . 2 . ]" 3
325 1 50 GLU HA 1 53 ARG HB2 3.300 . 3.500 3.479 3.362 3.539 0.039 28 0 "[ . 1 . 2 . ]" 3
326 1 51 LEU HA 1 51 LEU MD1 3.900 . 4.200 2.640 1.945 3.099 . 0 0 "[ . 1 . 2 . ]" 3
327 1 51 LEU QB 1 52 GLU H 6.000 . 6.000 2.455 2.270 2.638 . 0 0 "[ . 1 . 2 . ]" 3
328 1 51 LEU H 1 52 GLU H 3.300 . 3.500 2.636 2.488 2.799 . 0 0 "[ . 1 . 2 . ]" 3
329 1 51 LEU HA 1 52 GLU H 5.000 . 5.000 3.573 3.543 3.591 . 0 0 "[ . 1 . 2 . ]" 3
330 1 51 LEU HA 1 54 THR HB 3.300 . 3.500 3.072 2.649 3.452 . 0 0 "[ . 1 . 2 . ]" 3
331 1 52 GLU H 1 53 ARG H 3.300 . 3.500 2.690 2.540 2.808 . 0 0 "[ . 1 . 2 . ]" 3
332 1 52 GLU HA 1 53 ARG H 5.000 . 5.000 3.538 3.475 3.586 . 0 0 "[ . 1 . 2 . ]" 3
333 1 52 GLU H 1 88 LEU MD1 4.800 . 5.000 3.928 3.804 4.038 . 0 0 "[ . 1 . 2 . ]" 3
334 1 53 ARG H 1 54 THR H 3.300 . 3.500 2.712 2.387 2.871 . 0 0 "[ . 1 . 2 . ]" 3
335 1 53 ARG HA 1 54 THR H 5.000 . 5.000 3.586 3.549 3.598 . 0 0 "[ . 1 . 2 . ]" 3
336 1 53 ARG HA 1 56 LEU HB3 3.300 . 3.500 2.744 2.208 3.480 . 0 0 "[ . 1 . 2 . ]" 3
337 1 53 ARG HA 1 56 LEU HB2 3.300 . 3.500 3.456 2.662 3.523 0.023 9 0 "[ . 1 . 2 . ]" 3
338 1 54 THR H 1 54 THR HB 2.400 . 2.700 2.515 2.394 2.688 . 0 0 "[ . 1 . 2 . ]" 3
339 1 54 THR H 1 55 LEU H 3.300 . 3.500 2.870 2.605 3.082 . 0 0 "[ . 1 . 2 . ]" 3
340 1 54 THR HB 1 55 LEU H 3.300 . 3.500 2.500 2.007 3.011 . 0 0 "[ . 1 . 2 . ]" 3
341 1 54 THR HA 1 57 THR H 5.000 . 5.000 4.102 3.829 4.461 . 0 0 "[ . 1 . 2 . ]" 3
342 1 54 THR HA 1 57 THR HB 3.300 . 3.500 3.307 3.029 3.508 0.008 5 0 "[ . 1 . 2 . ]" 3
343 1 55 LEU H 1 55 LEU HG 5.000 . 5.000 4.412 4.293 4.513 . 0 0 "[ . 1 . 2 . ]" 3
344 1 55 LEU H 1 55 LEU MD2 4.800 . 5.000 3.124 2.893 3.322 . 0 0 "[ . 1 . 2 . ]" 3
345 1 55 LEU HA 1 55 LEU MD2 3.900 . 4.200 1.994 1.906 2.078 . 0 0 "[ . 1 . 2 . ]" 3
346 1 55 LEU H 1 56 LEU H 3.300 . 3.500 2.643 2.381 2.900 . 0 0 "[ . 1 . 2 . ]" 3
347 1 55 LEU HA 1 56 LEU H 5.000 . 5.000 3.586 3.568 3.594 . 0 0 "[ . 1 . 2 . ]" 3
348 1 55 LEU MD1 1 56 LEU HA 4.800 . 5.000 3.831 3.616 4.021 . 0 0 "[ . 1 . 2 . ]" 3
349 1 55 LEU HA 1 58 THR HB 3.300 . 3.500 2.647 2.366 3.017 . 0 0 "[ . 1 . 2 . ]" 3
350 1 55 LEU HA 1 58 THR H 5.000 . 5.000 3.526 3.225 3.819 . 0 0 "[ . 1 . 2 . ]" 3
351 1 56 LEU H 1 56 LEU QB 3.000 . 3.300 2.108 1.933 2.175 . 0 0 "[ . 1 . 2 . ]" 3
352 1 56 LEU H 1 56 LEU MD1 4.800 . 5.000 3.796 3.257 4.123 . 0 0 "[ . 1 . 2 . ]" 3
353 1 56 LEU HA 1 56 LEU HG 3.300 . 3.500 2.537 1.985 3.513 0.013 16 0 "[ . 1 . 2 . ]" 3
354 1 56 LEU HA 1 56 LEU MD1 3.900 . 4.200 2.512 1.928 3.320 . 0 0 "[ . 1 . 2 . ]" 3
355 1 56 LEU QB 1 57 THR H 3.900 . 4.100 2.392 2.063 2.602 . 0 0 "[ . 1 . 2 . ]" 3
356 1 56 LEU H 1 57 THR H 3.300 . 3.500 2.881 2.688 3.081 . 0 0 "[ . 1 . 2 . ]" 3
357 1 56 LEU HA 1 57 THR H 5.000 . 5.000 3.577 3.550 3.597 . 0 0 "[ . 1 . 2 . ]" 3
358 1 56 LEU HA 1 59 ALA MB 6.500 . 6.500 3.215 2.961 3.635 . 0 0 "[ . 1 . 2 . ]" 3
359 1 56 LEU HA 1 59 ALA H 5.000 . 5.000 4.175 3.905 4.410 . 0 0 "[ . 1 . 2 . ]" 3
360 1 57 THR H 1 57 THR HB 2.400 . 2.700 2.493 2.362 2.621 . 0 0 "[ . 1 . 2 . ]" 3
361 1 57 THR H 1 58 THR H 3.300 . 3.500 2.711 2.542 2.862 . 0 0 "[ . 1 . 2 . ]" 3
362 1 57 THR HB 1 58 THR H 3.300 . 3.500 2.439 2.145 2.764 . 0 0 "[ . 1 . 2 . ]" 3
363 1 57 THR HA 1 60 LEU H 5.000 . 5.000 3.719 3.601 3.824 . 0 0 "[ . 1 . 2 . ]" 3
364 1 57 THR HA 1 60 LEU HB3 3.300 . 3.500 2.387 2.225 2.589 . 0 0 "[ . 1 . 2 . ]" 3
365 1 57 THR HA 1 60 LEU HB2 3.300 . 3.500 3.490 3.332 3.535 0.035 26 0 "[ . 1 . 2 . ]" 3
366 1 58 THR H 1 58 THR HB 2.400 . 2.700 2.466 2.352 2.616 . 0 0 "[ . 1 . 2 . ]" 3
367 1 58 THR H 1 59 ALA H 3.300 . 3.500 3.028 2.903 3.118 . 0 0 "[ . 1 . 2 . ]" 3
368 1 58 THR HA 1 61 ARG H 3.300 . 3.500 3.525 3.486 3.542 0.042 22 0 "[ . 1 . 2 . ]" 3
369 1 58 THR HB 1 59 ALA H 3.300 . 3.500 2.037 1.936 2.172 . 0 0 "[ . 1 . 2 . ]" 3
370 1 58 THR HG1 1 59 ALA H 4.800 . 5.000 2.893 2.641 3.137 . 0 0 "[ . 1 . 2 . ]" 3
371 1 59 ALA H 1 59 ALA MB 2.400 . 2.700 2.041 1.914 2.156 . 0 0 "[ . 1 . 2 . ]" 3
372 1 59 ALA H 1 60 LEU H 3.300 . 3.500 2.837 2.747 2.884 . 0 0 "[ . 1 . 2 . ]" 3
373 1 59 ALA HA 1 60 LEU H 5.000 . 5.000 3.577 3.560 3.595 . 0 0 "[ . 1 . 2 . ]" 3
374 1 59 ALA HA 1 60 LEU QB 6.000 . 6.000 5.166 5.155 5.181 . 0 0 "[ . 1 . 2 . ]" 3
375 1 59 ALA HA 1 62 HIS H 3.300 . 3.500 3.501 3.469 3.524 0.024 18 0 "[ . 1 . 2 . ]" 3
376 1 59 ALA HA 1 62 HIS HB3 3.300 . 3.500 3.533 3.520 3.556 0.056 11 0 "[ . 1 . 2 . ]" 3
377 1 59 ALA HA 1 62 HIS HB2 3.300 . 3.500 3.528 3.517 3.544 0.044 23 0 "[ . 1 . 2 . ]" 3
378 1 59 ALA MB 1 60 LEU H 3.900 . 4.200 2.542 2.384 2.669 . 0 0 "[ . 1 . 2 . ]" 3
379 1 60 LEU HA 1 60 LEU HG 3.300 . 3.500 3.249 3.185 3.292 . 0 0 "[ . 1 . 2 . ]" 3
380 1 60 LEU H 1 60 LEU QB 3.300 . 3.500 2.184 2.171 2.197 . 0 0 "[ . 1 . 2 . ]" 3
381 1 60 LEU H 1 61 ARG H 3.300 . 3.500 2.714 2.656 2.769 . 0 0 "[ . 1 . 2 . ]" 3
382 1 60 LEU HA 1 63 THR H 3.300 . 3.500 3.154 3.090 3.222 . 0 0 "[ . 1 . 2 . ]" 3
383 1 60 LEU HG 1 61 ARG H 3.300 . 3.500 3.530 3.522 3.542 0.042 11 0 "[ . 1 . 2 . ]" 3
384 1 60 LEU HG 1 61 ARG HA 3.300 . 3.500 3.536 3.527 3.545 0.045 8 0 "[ . 1 . 2 . ]" 3
385 1 60 LEU MD1 1 61 ARG H 6.500 . 6.500 4.238 4.173 4.299 . 0 0 "[ . 1 . 2 . ]" 3
386 1 60 LEU MD2 1 61 ARG H 6.500 . 6.500 4.397 4.330 4.459 . 0 0 "[ . 1 . 2 . ]" 3
387 1 61 ARG H 1 62 HIS H 3.300 . 3.500 2.825 2.797 2.857 . 0 0 "[ . 1 . 2 . ]" 3
388 1 61 ARG HA 1 62 HIS H 5.000 . 5.000 3.561 3.550 3.573 . 0 0 "[ . 1 . 2 . ]" 3
389 1 61 ARG HA 1 64 GLN H 3.300 . 3.500 3.514 3.470 3.539 0.039 21 0 "[ . 1 . 2 . ]" 3
390 1 61 ARG HA 1 64 GLN QB 4.300 . 4.500 3.291 2.699 3.969 . 0 0 "[ . 1 . 2 . ]" 3
391 1 62 HIS H 1 62 HIS HB3 3.300 . 3.500 2.440 2.400 2.501 . 0 0 "[ . 1 . 2 . ]" 3
392 1 62 HIS H 1 62 HIS HB2 3.300 . 3.500 2.419 2.363 2.454 . 0 0 "[ . 1 . 2 . ]" 3
393 1 62 HIS H 1 62 HIS HD1 5.000 . 5.000 4.678 4.585 4.980 . 0 0 "[ . 1 . 2 . ]" 3
394 1 62 HIS HB3 1 63 THR H 5.000 . 5.000 2.728 2.649 2.790 . 0 0 "[ . 1 . 2 . ]" 3
395 1 62 HIS HB2 1 63 THR H 5.000 . 5.000 3.919 3.881 3.956 . 0 0 "[ . 1 . 2 . ]" 3
396 1 62 HIS QB 1 63 THR MG 5.800 . 6.000 2.642 2.438 2.737 . 0 0 "[ . 1 . 2 . ]" 3
397 1 62 HIS HD2 1 63 THR MG 4.800 . 5.000 2.827 2.058 3.721 . 0 0 "[ . 1 . 2 . ]" 3
398 1 63 THR HA 1 63 THR MG 3.000 . 3.300 2.399 2.356 2.462 . 0 0 "[ . 1 . 2 . ]" 3
399 1 63 THR H 1 64 GLN H 3.300 . 3.500 2.861 2.789 2.912 . 0 0 "[ . 1 . 2 . ]" 3
400 1 63 THR HA 1 64 GLN H 3.300 . 3.500 2.757 2.731 2.789 . 0 0 "[ . 1 . 2 . ]" 3
401 1 63 THR HA 1 66 HIS H 5.000 . 5.000 4.416 4.269 4.532 . 0 0 "[ . 1 . 2 . ]" 3
402 1 63 THR MG 1 64 GLN H 6.500 . 6.500 4.271 4.250 4.311 . 0 0 "[ . 1 . 2 . ]" 3
403 1 64 GLN H 1 64 GLN HA 2.400 . 2.700 2.727 2.712 2.740 0.040 9 0 "[ . 1 . 2 . ]" 3
404 1 64 GLN H 1 64 GLN QG 3.900 . 4.100 3.025 2.000 3.736 . 0 0 "[ . 1 . 2 . ]" 3
405 1 64 GLN HA 1 64 GLN QG 3.400 . 3.700 2.475 1.961 3.311 . 0 0 "[ . 1 . 2 . ]" 3
406 1 64 GLN HA 1 65 GLY H 3.300 . 3.500 2.196 2.189 2.209 . 0 0 "[ . 1 . 2 . ]" 3
407 1 64 GLN H 1 65 GLY H 5.000 . 5.000 4.556 4.494 4.614 . 0 0 "[ . 1 . 2 . ]" 3
408 1 64 GLN QG 1 65 GLY H 5.000 . 5.000 3.521 2.878 4.341 . 0 0 "[ . 1 . 2 . ]" 3
409 1 65 GLY H 1 66 HIS H 3.300 . 3.500 3.263 3.038 3.392 . 0 0 "[ . 1 . 2 . ]" 3
410 1 65 GLY QA 1 66 HIS H 4.300 . 4.500 2.685 2.640 2.786 . 0 0 "[ . 1 . 2 . ]" 3
411 1 65 GLY HA3 1 66 HIS H 5.000 . 5.000 2.776 2.719 2.914 . 0 0 "[ . 1 . 2 . ]" 3
412 1 65 GLY HA2 1 66 HIS H 5.000 . 5.000 3.574 3.543 3.584 . 0 0 "[ . 1 . 2 . ]" 3
413 1 66 HIS H 1 66 HIS HB3 3.300 . 3.500 3.362 2.994 3.532 0.032 12 0 "[ . 1 . 2 . ]" 3
414 1 66 HIS H 1 66 HIS HB2 3.300 . 3.500 2.120 1.955 2.482 . 0 0 "[ . 1 . 2 . ]" 3
415 1 66 HIS H 1 66 HIS HD1 5.000 . 5.000 3.954 2.342 4.899 . 0 0 "[ . 1 . 2 . ]" 3
416 1 67 LYS HA 1 68 GLN QB 6.000 . 6.000 5.150 5.087 5.361 . 0 0 "[ . 1 . 2 . ]" 3
417 1 67 LYS HA 1 70 ALA MB 3.900 . 4.200 2.876 2.450 3.077 . 0 0 "[ . 1 . 2 . ]" 3
418 1 67 LYS HA 1 70 ALA H 5.000 . 5.000 3.592 3.361 3.752 . 0 0 "[ . 1 . 2 . ]" 3
419 1 68 GLN H 1 69 GLU H 5.000 . 5.000 2.756 2.585 2.911 . 0 0 "[ . 1 . 2 . ]" 3
420 1 68 GLN HA 1 69 GLU H 5.000 . 5.000 3.578 3.554 3.591 . 0 0 "[ . 1 . 2 . ]" 3
421 1 68 GLN HA 1 71 ALA MB 3.900 . 4.200 3.170 3.048 3.309 . 0 0 "[ . 1 . 2 . ]" 3
422 1 68 GLN HA 1 71 ALA H 5.000 . 5.000 3.610 3.543 3.681 . 0 0 "[ . 1 . 2 . ]" 3
423 1 69 GLU H 1 70 ALA H 3.300 . 3.500 2.814 2.704 2.896 . 0 0 "[ . 1 . 2 . ]" 3
424 1 69 GLU HA 1 70 ALA H 5.000 . 5.000 3.558 3.540 3.574 . 0 0 "[ . 1 . 2 . ]" 3
425 1 69 GLU H 1 71 ALA H 5.000 . 5.000 4.169 4.124 4.208 . 0 0 "[ . 1 . 2 . ]" 3
426 1 69 GLU HA 1 72 ARG H 5.000 . 5.000 3.897 3.812 3.989 . 0 0 "[ . 1 . 2 . ]" 3
427 1 69 GLU HA 1 72 ARG QB 4.300 . 4.500 4.025 3.782 4.105 . 0 0 "[ . 1 . 2 . ]" 3
428 1 70 ALA H 1 71 ALA H 3.300 . 3.500 2.749 2.706 2.807 . 0 0 "[ . 1 . 2 . ]" 3
429 1 70 ALA HA 1 73 LEU H 3.300 . 3.500 3.423 3.322 3.509 0.009 10 0 "[ . 1 . 2 . ]" 3
430 1 70 ALA HA 1 73 LEU HB3 5.000 . 5.000 3.041 2.472 3.364 . 0 0 "[ . 1 . 2 . ]" 3
431 1 70 ALA HA 1 73 LEU HB2 5.000 . 5.000 1.994 1.941 2.228 . 0 0 "[ . 1 . 2 . ]" 3
432 1 70 ALA HA 1 74 LEU MD1 3.900 . 4.200 3.188 3.110 3.347 . 0 0 "[ . 1 . 2 . ]" 3
433 1 71 ALA H 1 72 ARG H 3.300 . 3.500 3.100 3.013 3.207 . 0 0 "[ . 1 . 2 . ]" 3
434 1 71 ALA HA 1 72 ARG H 5.000 . 5.000 3.583 3.571 3.592 . 0 0 "[ . 1 . 2 . ]" 3
435 1 71 ALA MB 1 72 ARG H 6.500 . 6.500 1.926 1.886 2.007 . 0 0 "[ . 1 . 2 . ]" 3
436 1 71 ALA HA 1 74 LEU QB 6.000 . 6.000 3.701 3.542 3.994 . 0 0 "[ . 1 . 2 . ]" 3
437 1 71 ALA HA 1 74 LEU H 5.000 . 5.000 3.869 3.703 4.019 . 0 0 "[ . 1 . 2 . ]" 3
438 1 72 ARG H 1 73 LEU H 5.000 . 5.000 2.707 2.580 2.805 . 0 0 "[ . 1 . 2 . ]" 3
439 1 72 ARG HA 1 73 LEU H 5.000 . 5.000 3.544 3.508 3.573 . 0 0 "[ . 1 . 2 . ]" 3
440 1 72 ARG HA 1 75 GLY H 3.300 . 3.500 3.178 2.859 3.493 . 0 0 "[ . 1 . 2 . ]" 3
441 1 72 ARG HA 1 76 TRP H 3.300 . 3.500 3.441 3.231 3.515 0.015 19 0 "[ . 1 . 2 . ]" 3
442 1 73 LEU H 1 73 LEU MD1 4.800 . 5.000 3.166 2.082 4.061 . 0 0 "[ . 1 . 2 . ]" 3
443 1 73 LEU H 1 73 LEU MD2 4.800 . 5.000 4.032 2.208 4.253 . 0 0 "[ . 1 . 2 . ]" 3
444 1 73 LEU H 1 74 LEU H 5.000 . 5.000 2.728 2.631 2.827 . 0 0 "[ . 1 . 2 . ]" 3
445 1 73 LEU HA 1 73 LEU MD2 3.900 . 4.200 2.560 1.911 3.582 . 0 0 "[ . 1 . 2 . ]" 3
446 1 73 LEU HB3 1 74 LEU H 3.300 . 3.500 3.373 2.624 3.522 0.022 19 0 "[ . 1 . 2 . ]" 3
447 1 73 LEU HB2 1 74 LEU H 3.300 . 3.500 3.098 2.820 3.480 . 0 0 "[ . 1 . 2 . ]" 3
448 1 73 LEU QD 1 74 LEU H 7.900 . 7.900 4.142 3.650 4.288 . 0 0 "[ . 1 . 2 . ]" 3
449 1 73 LEU H 1 75 GLY H 5.000 . 5.000 4.082 3.968 4.416 . 0 0 "[ . 1 . 2 . ]" 3
450 1 74 LEU H 1 74 LEU MD1 4.800 . 5.000 3.252 2.855 3.567 . 0 0 "[ . 1 . 2 . ]" 3
451 1 74 LEU HA 1 74 LEU MD2 3.900 . 4.200 2.504 1.985 2.823 . 0 0 "[ . 1 . 2 . ]" 3
452 1 74 LEU H 1 75 GLY H 3.300 . 3.500 2.405 2.105 2.653 . 0 0 "[ . 1 . 2 . ]" 3
453 1 74 LEU HA 1 75 GLY H 3.300 . 3.500 3.171 2.984 3.332 . 0 0 "[ . 1 . 2 . ]" 3
454 1 74 LEU H 1 76 TRP H 5.000 . 5.000 3.315 2.860 3.632 . 0 0 "[ . 1 . 2 . ]" 3
455 1 75 GLY H 1 76 TRP H 3.300 . 3.500 2.762 2.599 2.849 . 0 0 "[ . 1 . 2 . ]" 3
456 1 75 GLY HA3 1 76 TRP H 3.300 . 3.500 3.531 3.465 3.556 0.056 5 0 "[ . 1 . 2 . ]" 3
457 1 75 GLY HA2 1 76 TRP H 3.300 . 3.500 2.859 2.748 3.069 . 0 0 "[ . 1 . 2 . ]" 3
458 1 76 TRP H 1 76 TRP HD1 3.300 . 3.500 3.308 3.120 3.453 . 0 0 "[ . 1 . 2 . ]" 3
459 1 76 TRP HA 1 76 TRP HD1 2.400 . 2.700 2.234 2.168 2.322 . 0 0 "[ . 1 . 2 . ]" 3
460 1 76 TRP HA 1 76 TRP HE1 5.000 . 5.000 4.460 4.396 4.563 . 0 0 "[ . 1 . 2 . ]" 3
461 1 76 TRP H 1 77 GLY H 5.000 . 5.000 2.979 2.470 4.506 . 0 0 "[ . 1 . 2 . ]" 3
462 1 76 TRP HA 1 77 GLY H 5.000 . 5.000 3.404 2.581 3.586 . 0 0 "[ . 1 . 2 . ]" 3
463 1 76 TRP HB3 1 77 GLY H 5.000 . 5.000 2.397 1.934 2.731 . 0 0 "[ . 1 . 2 . ]" 3
464 1 76 TRP HB2 1 77 GLY H 5.000 . 5.000 2.462 2.182 3.560 . 0 0 "[ . 1 . 2 . ]" 3
465 1 76 TRP HE3 1 77 GLY H 5.000 . 5.000 4.708 4.467 4.994 . 0 0 "[ . 1 . 2 . ]" 3
466 1 77 GLY H 1 78 ALA H 5.000 . 5.000 4.447 4.235 4.525 . 0 0 "[ . 1 . 2 . ]" 3
467 1 77 GLY HA3 1 78 ALA H 3.300 . 3.500 2.485 2.364 2.597 . 0 0 "[ . 1 . 2 . ]" 3
468 1 77 GLY HA2 1 78 ALA H 3.300 . 3.500 2.780 2.660 2.919 . 0 0 "[ . 1 . 2 . ]" 3
469 1 78 ALA HA 1 81 LEU HB3 3.300 . 3.500 3.555 3.535 3.573 0.073 20 0 "[ . 1 . 2 . ]" 3
470 1 78 ALA HA 1 81 LEU HB2 3.300 . 3.500 2.946 2.757 3.262 . 0 0 "[ . 1 . 2 . ]" 3
471 1 78 ALA H 1 79 ALA HA 5.000 . 5.000 5.020 4.990 5.046 0.046 15 0 "[ . 1 . 2 . ]" 3
472 1 78 ALA H 1 79 ALA MB 4.800 . 5.000 3.873 3.797 3.925 . 0 0 "[ . 1 . 2 . ]" 3
473 1 79 ALA HA 1 82 THR H 5.000 . 5.000 3.749 3.562 3.937 . 0 0 "[ . 1 . 2 . ]" 3
474 1 79 ALA HA 1 82 THR MG 4.800 . 5.000 4.100 4.023 4.150 . 0 0 "[ . 1 . 2 . ]" 3
475 1 80 THR H 1 80 THR HB 3.300 . 3.500 2.445 2.350 2.605 . 0 0 "[ . 1 . 2 . ]" 3
476 1 80 THR H 1 81 LEU H 3.300 . 3.500 2.731 2.608 2.884 . 0 0 "[ . 1 . 2 . ]" 3
477 1 80 THR HA 1 83 ALA H 3.300 . 3.500 3.441 3.238 3.534 0.034 16 0 "[ . 1 . 2 . ]" 3
478 1 80 THR HB 1 81 LEU H 3.300 . 3.500 2.226 2.141 2.321 . 0 0 "[ . 1 . 2 . ]" 3
479 1 80 THR MG 1 81 LEU H 6.500 . 6.500 3.262 3.023 3.486 . 0 0 "[ . 1 . 2 . ]" 3
480 1 80 THR MG 1 81 LEU HA 6.500 . 6.500 3.613 3.334 3.905 . 0 0 "[ . 1 . 2 . ]" 3
481 1 80 THR MG 1 81 LEU MD1 7.500 . 7.500 4.893 4.647 5.085 . 0 0 "[ . 1 . 2 . ]" 3
482 1 80 THR HA 1 83 ALA MB 3.900 . 4.200 2.484 2.282 2.752 . 0 0 "[ . 1 . 2 . ]" 3
483 1 81 LEU H 1 81 LEU HG 3.300 . 3.500 3.510 3.423 3.547 0.047 20 0 "[ . 1 . 2 . ]" 3
484 1 81 LEU HA 1 81 LEU HG 2.400 . 2.700 2.085 2.021 2.179 . 0 0 "[ . 1 . 2 . ]" 3
485 1 81 LEU QB 1 82 THR H 4.300 . 4.500 2.831 2.750 2.929 . 0 0 "[ . 1 . 2 . ]" 3
486 1 81 LEU H 1 82 THR H 5.000 . 5.000 2.791 2.715 2.839 . 0 0 "[ . 1 . 2 . ]" 3
487 1 81 LEU MD1 1 82 THR H 6.500 . 6.500 4.853 4.792 4.951 . 0 0 "[ . 1 . 2 . ]" 3
488 1 81 LEU MD2 1 82 THR H 6.500 . 6.500 4.395 4.153 4.549 . 0 0 "[ . 1 . 2 . ]" 3
489 1 81 LEU HA 1 84 LYS H 5.000 . 5.000 4.110 3.975 4.281 . 0 0 "[ . 1 . 2 . ]" 3
490 1 82 THR H 1 82 THR HB 2.400 . 2.700 2.337 2.290 2.450 . 0 0 "[ . 1 . 2 . ]" 3
491 1 82 THR H 1 83 ALA H 2.400 . 2.700 2.459 2.380 2.530 . 0 0 "[ . 1 . 2 . ]" 3
492 1 82 THR HA 1 83 ALA MB 6.500 . 6.500 4.988 4.959 4.998 . 0 0 "[ . 1 . 2 . ]" 3
493 1 82 THR HB 1 83 ALA H 3.300 . 3.500 2.317 2.189 2.433 . 0 0 "[ . 1 . 2 . ]" 3
494 1 82 THR MG 1 83 ALA H 6.500 . 6.500 3.197 3.067 3.415 . 0 0 "[ . 1 . 2 . ]" 3
495 1 82 THR H 1 84 LYS H 5.000 . 5.000 3.697 3.550 3.813 . 0 0 "[ . 1 . 2 . ]" 3
496 1 82 THR HA 1 85 LEU H 3.300 . 3.500 3.515 3.486 3.539 0.039 16 0 "[ . 1 . 2 . ]" 3
497 1 82 THR HA 1 85 LEU HB3 3.300 . 3.500 3.394 3.215 3.509 0.009 23 0 "[ . 1 . 2 . ]" 3
498 1 82 THR HA 1 85 LEU HB2 3.300 . 3.500 2.955 2.661 3.233 . 0 0 "[ . 1 . 2 . ]" 3
499 1 83 ALA H 1 84 LYS H 2.400 . 2.700 2.687 2.620 2.718 0.018 18 0 "[ . 1 . 2 . ]" 3
500 1 83 ALA HA 1 84 LYS H 5.000 . 5.000 3.547 3.473 3.565 . 0 0 "[ . 1 . 2 . ]" 3
501 1 83 ALA MB 1 84 LYS H 4.800 . 5.000 2.573 2.440 2.919 . 0 0 "[ . 1 . 2 . ]" 3
502 1 83 ALA MB 1 84 LYS HA 4.800 . 5.000 3.871 3.782 3.915 . 0 0 "[ . 1 . 2 . ]" 3
503 1 83 ALA HA 1 86 LYS QB 4.300 . 4.500 3.634 3.284 3.984 . 0 0 "[ . 1 . 2 . ]" 3
504 1 83 ALA HA 1 86 LYS H 5.000 . 5.000 3.708 3.505 3.939 . 0 0 "[ . 1 . 2 . ]" 3
505 1 84 LYS HA 1 87 GLU QB 4.300 . 4.500 2.088 1.918 2.403 . 0 0 "[ . 1 . 2 . ]" 3
506 1 84 LYS HA 1 87 GLU H 3.300 . 3.500 3.306 3.056 3.493 . 0 0 "[ . 1 . 2 . ]" 3
507 1 85 LEU H 1 86 LYS H 3.300 . 3.500 2.719 2.591 2.899 . 0 0 "[ . 1 . 2 . ]" 3
508 1 85 LEU HA 1 86 LYS H 5.000 . 5.000 3.574 3.551 3.593 . 0 0 "[ . 1 . 2 . ]" 3
509 1 85 LEU QB 1 86 LYS H 4.300 . 4.500 2.400 2.137 2.604 . 0 0 "[ . 1 . 2 . ]" 3
510 1 86 LYS H 1 87 GLU H 3.300 . 3.500 2.347 2.291 2.500 . 0 0 "[ . 1 . 2 . ]" 3
511 1 86 LYS HA 1 87 GLU H 5.000 . 5.000 3.512 3.461 3.581 . 0 0 "[ . 1 . 2 . ]" 3
512 1 86 LYS H 1 88 LEU H 5.000 . 5.000 4.451 3.929 4.854 . 0 0 "[ . 1 . 2 . ]" 3
513 1 86 LYS HA 1 89 GLY H 3.300 . 3.500 3.384 3.161 3.519 0.019 21 0 "[ . 1 . 2 . ]" 3
514 1 87 GLU HA 1 88 LEU H 5.000 . 5.000 3.579 3.531 3.596 . 0 0 "[ . 1 . 2 . ]" 3
515 1 87 GLU HA 1 90 MET H 3.300 . 3.500 3.405 3.210 3.508 0.008 11 0 "[ . 1 . 2 . ]" 3
516 1 88 LEU H 1 88 LEU HB3 3.300 . 3.500 3.490 3.369 3.522 0.022 28 0 "[ . 1 . 2 . ]" 3
517 1 88 LEU H 1 88 LEU HB2 3.300 . 3.500 2.206 1.995 2.418 . 0 0 "[ . 1 . 2 . ]" 3
518 1 88 LEU H 1 88 LEU MD1 4.800 . 5.000 3.337 3.007 3.784 . 0 0 "[ . 1 . 2 . ]" 3
519 1 88 LEU H 1 88 LEU MD2 4.800 . 5.000 3.723 3.429 3.920 . 0 0 "[ . 1 . 2 . ]" 3
520 1 88 LEU H 1 88 LEU HG 3.300 . 3.500 2.425 1.944 3.012 . 0 0 "[ . 1 . 2 . ]" 3
521 1 88 LEU HA 1 88 LEU HG 3.300 . 3.500 2.635 2.491 2.865 . 0 0 "[ . 1 . 2 . ]" 3
522 1 88 LEU HA 1 88 LEU MD2 3.900 . 4.200 2.137 1.915 2.391 . 0 0 "[ . 1 . 2 . ]" 3
523 1 88 LEU H 1 89 GLY H 3.300 . 3.500 2.705 2.498 2.822 . 0 0 "[ . 1 . 2 . ]" 3
524 1 88 LEU HA 1 89 GLY H 5.000 . 5.000 3.513 3.460 3.566 . 0 0 "[ . 1 . 2 . ]" 3
525 1 88 LEU HB3 1 89 GLY H 5.000 . 5.000 3.660 3.195 3.908 . 0 0 "[ . 1 . 2 . ]" 3
526 1 88 LEU HB2 1 89 GLY H 5.000 . 5.000 2.917 2.631 3.163 . 0 0 "[ . 1 . 2 . ]" 3
527 1 88 LEU HG 1 89 GLY H 5.000 . 5.000 4.599 4.307 4.872 . 0 0 "[ . 1 . 2 . ]" 3
528 1 89 GLY H 1 90 MET H 3.300 . 3.500 2.434 2.068 2.736 . 0 0 "[ . 1 . 2 . ]" 3
529 1 89 GLY HA3 1 90 MET H 5.000 . 5.000 3.069 2.782 3.546 . 0 0 "[ . 1 . 2 . ]" 3
530 1 89 GLY HA2 1 90 MET H 5.000 . 5.000 3.404 2.875 3.573 . 0 0 "[ . 1 . 2 . ]" 3
531 1 90 MET H 1 90 MET HB3 3.300 . 3.500 3.036 2.354 3.519 0.019 2 0 "[ . 1 . 2 . ]" 3
532 1 90 MET H 1 90 MET HB2 3.300 . 3.500 2.382 1.955 3.113 . 0 0 "[ . 1 . 2 . ]" 3
533 1 90 MET H 1 91 GLU H 2.400 . 2.700 2.504 2.117 2.738 0.038 24 0 "[ . 1 . 2 . ]" 3
534 1 90 MET HA 1 91 GLU H 3.300 . 3.500 3.427 2.997 3.573 0.073 19 0 "[ . 1 . 2 . ]" 3
535 1 91 GLU H 1 91 GLU HB3 3.300 . 3.500 3.050 2.499 3.510 0.010 6 0 "[ . 1 . 2 . ]" 3
536 1 91 GLU H 1 91 GLU HB2 3.300 . 3.500 2.747 1.951 3.448 . 0 0 "[ . 1 . 2 . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 19
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 48.616
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0334
_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 22 ASP 0.445 0.048 28 0 "[ . 1 . 2 . ]"
1 23 SER 0.268 0.055 15 0 "[ . 1 . 2 . ]"
1 24 TRP 0.936 0.329 28 0 "[ . 1 . 2 . ]"
1 25 ALA 0.023 0.023 28 0 "[ . 1 . 2 . ]"
1 51 LEU 0.065 0.023 1 0 "[ . 1 . 2 . ]"
2 22 ASP 0.736 0.055 15 0 "[ . 1 . 2 . ]"
2 23 SER 1.204 0.329 28 0 "[ . 1 . 2 . ]"
2 24 TRP 0.990 0.329 28 0 "[ . 1 . 2 . ]"
2 25 ALA 0.023 0.023 28 0 "[ . 1 . 2 . ]"
2 47 ALA 0.011 0.011 23 0 "[ . 1 . 2 . ]"
2 48 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 51 LEU 0.065 0.023 1 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ASP HA 2 22 ASP H . . 2.900 2.907 2.833 2.948 0.048 28 0 "[ . 1 . 2 . ]" 4
2 1 22 ASP HB3 2 22 ASP H 2.400 . 2.700 2.541 2.340 2.707 0.007 2 0 "[ . 1 . 2 . ]" 4
3 1 22 ASP HB2 2 22 ASP H 2.400 . 2.700 2.379 2.182 2.566 . 0 0 "[ . 1 . 2 . ]" 4
4 1 23 SER H 2 22 ASP HA 3.300 . 3.500 2.841 2.208 3.555 0.055 15 0 "[ . 1 . 2 . ]" 4
5 1 23 SER H 2 22 ASP HB3 5.000 . 5.000 3.579 1.947 4.369 . 0 0 "[ . 1 . 2 . ]" 4
6 1 23 SER H 2 22 ASP HB2 5.000 . 5.000 4.248 3.446 4.678 . 0 0 "[ . 1 . 2 . ]" 4
7 1 25 ALA MB 2 22 ASP HA 6.500 . 6.500 4.652 2.921 6.523 0.023 28 0 "[ . 1 . 2 . ]" 4
8 1 23 SER QB 2 23 SER H 3.400 . 3.700 2.388 1.920 2.701 . 0 0 "[ . 1 . 2 . ]" 4
9 1 24 TRP H 2 23 SER H 3.300 . 3.500 3.395 2.435 3.829 0.329 28 0 "[ . 1 . 2 . ]" 4
10 1 24 TRP H 2 23 SER QB 4.300 . 4.500 3.509 1.831 4.051 . 0 0 "[ . 1 . 2 . ]" 4
11 1 51 LEU MD1 2 24 TRP HE3 6.500 . 6.500 3.615 3.393 5.265 . 0 0 "[ . 1 . 2 . ]" 4
12 1 51 LEU HA 2 24 TRP HH2 5.000 . 5.000 4.819 4.320 5.023 0.023 1 0 "[ . 1 . 2 . ]" 4
13 1 51 LEU QB 2 24 TRP HH2 4.300 . 4.500 3.699 2.881 4.018 . 0 0 "[ . 1 . 2 . ]" 4
14 1 51 LEU MD1 2 24 TRP HH2 4.800 . 5.000 2.395 1.869 3.359 . 0 0 "[ . 1 . 2 . ]" 4
15 1 51 LEU MD2 2 24 TRP HH2 6.500 . 6.500 3.846 2.921 4.384 . 0 0 "[ . 1 . 2 . ]" 4
16 1 51 LEU MD1 2 47 ALA HA 6.500 . 6.500 3.920 3.572 4.182 . 0 0 "[ . 1 . 2 . ]" 4
17 1 51 LEU MD1 2 47 ALA MB 4.900 . 5.200 1.909 1.789 2.037 0.011 23 0 "[ . 1 . 2 . ]" 4
18 1 51 LEU HB3 2 48 GLN HA 5.000 . 5.000 3.691 3.392 3.915 . 0 0 "[ . 1 . 2 . ]" 4
19 1 51 LEU HB2 2 48 GLN HA 5.000 . 5.000 4.574 4.238 4.936 . 0 0 "[ . 1 . 2 . ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 536
_Distance_constraint_stats_list.Viol_count 1125
_Distance_constraint_stats_list.Viol_total 873.365
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0095
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0277
_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 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 73 LEU 0.005 0.003 14 0 "[ . 1 . 2 . ]"
1 74 LEU 0.220 0.029 19 0 "[ . 1 . 2 . ]"
1 76 TRP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 21 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 23 SER 0.078 0.078 28 0 "[ . 1 . 2 . ]"
2 24 TRP 3.542 0.175 23 0 "[ . 1 . 2 . ]"
2 25 ALA 2.530 0.094 21 0 "[ . 1 . 2 . ]"
2 26 THR 0.601 0.078 28 0 "[ . 1 . 2 . ]"
2 27 LEU 1.047 0.061 18 0 "[ . 1 . 2 . ]"
2 28 LEU 3.426 0.094 21 0 "[ . 1 . 2 . ]"
2 29 ALA 0.597 0.063 21 0 "[ . 1 . 2 . ]"
2 30 GLN 1.159 0.051 24 0 "[ . 1 . 2 . ]"
2 31 TRP 0.633 0.033 18 0 "[ . 1 . 2 . ]"
2 32 ALA 0.551 0.050 26 0 "[ . 1 . 2 . ]"
2 33 ASP 0.847 0.050 26 0 "[ . 1 . 2 . ]"
2 34 ARG 1.097 0.065 27 0 "[ . 1 . 2 . ]"
2 35 ALA 1.398 0.065 27 0 "[ . 1 . 2 . ]"
2 36 LEU 0.428 0.250 27 0 "[ . 1 . 2 . ]"
2 37 ARG 0.839 0.063 4 0 "[ . 1 . 2 . ]"
2 38 SER 0.125 0.063 4 0 "[ . 1 . 2 . ]"
2 39 GLY 0.368 0.081 25 0 "[ . 1 . 2 . ]"
2 40 HIS 1.652 0.169 25 0 "[ . 1 . 2 . ]"
2 41 GLN 1.379 0.096 17 0 "[ . 1 . 2 . ]"
2 42 ASN 0.903 0.053 21 0 "[ . 1 . 2 . ]"
2 43 LEU 0.069 0.020 21 0 "[ . 1 . 2 . ]"
2 44 LEU 1.321 0.104 19 0 "[ . 1 . 2 . ]"
2 45 SER 0.819 0.038 20 0 "[ . 1 . 2 . ]"
2 46 GLU 0.016 0.010 10 0 "[ . 1 . 2 . ]"
2 47 ALA 0.051 0.030 28 0 "[ . 1 . 2 . ]"
2 48 GLN 0.025 0.014 9 0 "[ . 1 . 2 . ]"
2 49 PRO 0.023 0.017 5 0 "[ . 1 . 2 . ]"
2 50 GLU 0.209 0.037 28 0 "[ . 1 . 2 . ]"
2 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 52 GLU 0.023 0.017 5 0 "[ . 1 . 2 . ]"
2 53 ARG 0.372 0.037 28 0 "[ . 1 . 2 . ]"
2 54 THR 0.009 0.009 5 0 "[ . 1 . 2 . ]"
2 55 LEU 0.743 0.140 20 0 "[ . 1 . 2 . ]"
2 56 LEU 0.176 0.023 9 0 "[ . 1 . 2 . ]"
2 57 THR 0.257 0.035 26 0 "[ . 1 . 2 . ]"
2 58 THR 0.719 0.041 11 0 "[ . 1 . 2 . ]"
2 59 ALA 1.903 0.058 11 0 "[ . 1 . 2 . ]"
2 60 LEU 2.075 0.044 26 0 "[ . 1 . 2 . ]"
2 61 ARG 3.046 0.044 26 0 "[ . 1 . 2 . ]"
2 62 HIS 1.903 0.058 11 0 "[ . 1 . 2 . ]"
2 63 THR 0.042 0.032 14 0 "[ . 1 . 2 . ]"
2 64 GLN 1.256 0.040 3 0 "[ . 1 . 2 . ]"
2 65 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 66 HIS 0.155 0.031 12 0 "[ . 1 . 2 . ]"
2 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 68 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 70 ALA 0.014 0.009 10 0 "[ . 1 . 2 . ]"
2 71 ALA 0.782 0.046 14 0 "[ . 1 . 2 . ]"
2 72 ARG 0.051 0.016 19 0 "[ . 1 . 2 . ]"
2 73 LEU 0.079 0.032 14 0 "[ . 1 . 2 . ]"
2 74 LEU 0.766 0.140 20 0 "[ . 1 . 2 . ]"
2 75 GLY 0.984 0.057 5 0 "[ . 1 . 2 . ]"
2 76 TRP 1.035 0.057 5 0 "[ . 1 . 2 . ]"
2 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 78 ALA 2.113 0.075 20 0 "[ . 1 . 2 . ]"
2 79 ALA 0.592 0.050 16 0 "[ . 1 . 2 . ]"
2 80 THR 0.049 0.033 16 0 "[ . 1 . 2 . ]"
2 81 LEU 2.774 0.075 20 0 "[ . 1 . 2 . ]"
2 82 THR 0.458 0.041 16 0 "[ . 1 . 2 . ]"
2 83 ALA 0.168 0.033 16 0 "[ . 1 . 2 . ]"
2 84 LYS 0.119 0.020 18 0 "[ . 1 . 2 . ]"
2 85 LEU 0.458 0.041 16 0 "[ . 1 . 2 . ]"
2 86 LYS 0.023 0.019 21 0 "[ . 1 . 2 . ]"
2 87 GLU 0.015 0.010 11 0 "[ . 1 . 2 . ]"
2 88 LEU 0.138 0.023 28 0 "[ . 1 . 2 . ]"
2 89 GLY 0.023 0.019 21 0 "[ . 1 . 2 . ]"
2 90 MET 0.856 0.073 14 0 "[ . 1 . 2 . ]"
2 91 GLU 0.797 0.073 14 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 54 THR MG 2 25 ALA HA 4.800 . 5.000 3.105 2.076 3.816 . 0 0 "[ . 1 . 2 . ]" 5
2 1 51 LEU MD1 2 28 LEU MD1 4.900 . 5.200 3.243 3.091 3.459 . 0 0 "[ . 1 . 2 . ]" 5
3 1 51 LEU MD2 2 28 LEU MD1 7.500 . 7.500 4.813 4.544 5.062 . 0 0 "[ . 1 . 2 . ]" 5
4 1 51 LEU HG 2 28 LEU MD2 6.500 . 6.500 3.597 2.848 5.265 . 0 0 "[ . 1 . 2 . ]" 5
5 1 55 LEU MD1 2 28 LEU MD1 7.500 . 7.500 4.480 3.685 4.889 . 0 0 "[ . 1 . 2 . ]" 5
6 1 54 THR HB 2 28 LEU MD2 6.500 . 6.500 3.286 2.140 5.080 . 0 0 "[ . 1 . 2 . ]" 5
7 1 58 THR MG 2 29 ALA HA 4.800 . 5.000 2.647 1.907 3.514 . 0 0 "[ . 1 . 2 . ]" 5
8 1 54 THR MG 2 29 ALA HA 4.800 . 5.000 3.917 3.618 4.109 . 0 0 "[ . 1 . 2 . ]" 5
9 1 54 THR MG 2 29 ALA MB 4.900 . 5.200 3.424 3.056 3.556 . 0 0 "[ . 1 . 2 . ]" 5
10 1 55 LEU MD1 2 32 ALA MB 5.800 . 6.000 2.478 1.843 2.893 . 0 0 "[ . 1 . 2 . ]" 5
11 1 55 LEU MD2 2 32 ALA MB 4.900 . 5.200 2.408 1.865 3.143 . 0 0 "[ . 1 . 2 . ]" 5
12 1 58 THR HB 2 32 ALA MB 4.800 . 5.000 3.273 2.577 3.871 . 0 0 "[ . 1 . 2 . ]" 5
13 1 73 LEU MD2 2 36 LEU MD1 7.500 . 7.500 2.297 1.801 4.433 . 0 0 "[ . 1 . 2 . ]" 5
14 1 73 LEU MD2 2 36 LEU MD2 7.500 . 7.500 2.400 1.797 4.312 0.003 14 0 "[ . 1 . 2 . ]" 5
15 1 62 HIS HB3 2 36 LEU MD1 6.500 . 6.500 4.388 3.100 4.981 . 0 0 "[ . 1 . 2 . ]" 5
16 1 62 HIS HB2 2 36 LEU MD1 6.500 . 6.500 3.931 2.501 4.721 . 0 0 "[ . 1 . 2 . ]" 5
17 1 62 HIS HD2 2 36 LEU MD1 6.500 . 6.500 4.515 3.060 5.179 . 0 0 "[ . 1 . 2 . ]" 5
18 1 55 LEU MD1 2 43 LEU MD1 5.800 . 6.000 3.272 2.698 3.812 . 0 0 "[ . 1 . 2 . ]" 5
19 1 55 LEU MD1 2 43 LEU MD2 7.500 . 7.500 2.281 1.807 2.574 . 0 0 "[ . 1 . 2 . ]" 5
20 1 59 ALA MB 2 43 LEU MD1 5.800 . 6.000 3.308 2.458 3.958 . 0 0 "[ . 1 . 2 . ]" 5
21 1 59 ALA MB 2 43 LEU MD2 5.800 . 6.000 3.782 3.622 3.929 . 0 0 "[ . 1 . 2 . ]" 5
22 1 74 LEU HA 2 43 LEU H 3.300 . 3.500 3.295 2.841 3.513 0.013 19 0 "[ . 1 . 2 . ]" 5
23 1 74 LEU HA 2 43 LEU QB 4.300 . 4.500 2.482 2.145 3.054 . 0 0 "[ . 1 . 2 . ]" 5
24 1 74 LEU HA 2 43 LEU MD1 6.500 . 6.500 2.746 2.289 3.227 . 0 0 "[ . 1 . 2 . ]" 5
25 1 52 GLU HA 2 44 LEU MD1 6.500 . 6.500 3.342 2.591 3.908 . 0 0 "[ . 1 . 2 . ]" 5
26 1 55 LEU MD1 2 44 LEU MD1 5.800 . 6.000 3.077 2.625 3.641 . 0 0 "[ . 1 . 2 . ]" 5
27 1 55 LEU MD2 2 44 LEU MD1 7.500 . 7.500 4.576 3.858 5.016 . 0 0 "[ . 1 . 2 . ]" 5
28 1 74 LEU HA 2 44 LEU H 3.300 . 3.500 3.452 3.239 3.529 0.029 19 0 "[ . 1 . 2 . ]" 5
29 1 74 LEU HA 2 44 LEU HG 5.000 . 5.000 4.955 4.549 5.012 0.012 9 0 "[ . 1 . 2 . ]" 5
30 1 74 LEU QB 2 44 LEU HG 4.300 . 4.500 3.550 2.854 3.703 . 0 0 "[ . 1 . 2 . ]" 5
31 1 74 LEU MD2 2 44 LEU HG 4.800 . 5.000 2.214 1.916 3.371 . 0 0 "[ . 1 . 2 . ]" 5
32 1 74 LEU MD2 2 44 LEU HB3 6.500 . 6.500 4.082 3.719 4.920 . 0 0 "[ . 1 . 2 . ]" 5
33 1 74 LEU MD2 2 44 LEU HB2 6.500 . 6.500 2.867 2.408 3.855 . 0 0 "[ . 1 . 2 . ]" 5
34 1 76 TRP HZ2 2 44 LEU MD2 6.500 . 6.500 3.045 2.335 3.975 . 0 0 "[ . 1 . 2 . ]" 5
35 1 76 TRP HZ2 2 44 LEU MD1 6.500 . 6.500 2.486 1.948 2.883 . 0 0 "[ . 1 . 2 . ]" 5
36 1 76 TRP HE1 2 44 LEU MD1 4.800 . 5.000 3.386 2.759 3.858 . 0 0 "[ . 1 . 2 . ]" 5
37 1 76 TRP HE1 2 44 LEU MD2 6.500 . 6.500 4.647 3.871 5.382 . 0 0 "[ . 1 . 2 . ]" 5
38 1 51 LEU MD1 2 48 GLN HA 4.800 . 5.000 3.990 3.793 4.144 . 0 0 "[ . 1 . 2 . ]" 5
39 1 51 LEU MD2 2 48 GLN HA 4.800 . 5.000 2.306 1.837 2.962 . 0 0 "[ . 1 . 2 . ]" 5
40 2 24 TRP H 2 24 TRP HD1 3.300 . 3.500 3.553 2.758 3.675 0.175 23 0 "[ . 1 . 2 . ]" 5
41 2 24 TRP H 2 25 ALA H 3.300 . 3.500 3.267 2.906 3.373 . 0 0 "[ . 1 . 2 . ]" 5
42 2 24 TRP HA 2 27 LEU HG 5.000 . 5.000 4.338 4.195 4.474 . 0 0 "[ . 1 . 2 . ]" 5
43 2 24 TRP HA 2 27 LEU MD1 4.800 . 5.000 3.959 3.767 4.022 . 0 0 "[ . 1 . 2 . ]" 5
44 2 24 TRP HA 2 27 LEU MD2 6.500 . 6.500 5.192 5.110 5.262 . 0 0 "[ . 1 . 2 . ]" 5
45 2 24 TRP QB 2 27 LEU QB 7.000 . 7.000 4.357 3.443 4.467 . 0 0 "[ . 1 . 2 . ]" 5
46 2 24 TRP HE3 2 28 LEU MD1 4.800 . 5.000 3.877 3.472 4.312 . 0 0 "[ . 1 . 2 . ]" 5
47 2 24 TRP HE3 2 28 LEU MD2 4.800 . 5.000 2.725 2.238 3.931 . 0 0 "[ . 1 . 2 . ]" 5
48 2 24 TRP HZ3 2 28 LEU MD1 6.500 . 6.500 3.016 1.881 3.398 . 0 0 "[ . 1 . 2 . ]" 5
49 2 24 TRP HZ3 2 28 LEU MD2 3.900 . 4.200 2.055 1.871 2.357 . 0 0 "[ . 1 . 2 . ]" 5
50 2 24 TRP HH2 2 28 LEU MD2 6.500 . 6.500 3.508 2.179 3.765 . 0 0 "[ . 1 . 2 . ]" 5
51 2 24 TRP HZ2 2 47 ALA HA 5.000 . 5.000 3.991 3.473 5.021 0.021 28 0 "[ . 1 . 2 . ]" 5
52 2 24 TRP HZ2 2 47 ALA MB 4.800 . 5.000 3.868 3.645 4.016 . 0 0 "[ . 1 . 2 . ]" 5
53 2 24 TRP HH2 2 47 ALA MB 6.500 . 6.500 2.050 1.770 2.455 0.030 28 0 "[ . 1 . 2 . ]" 5
54 2 25 ALA HA 2 28 LEU MD2 4.800 . 5.000 3.388 2.973 4.085 . 0 0 "[ . 1 . 2 . ]" 5
55 2 25 ALA HA 2 28 LEU MD1 6.500 . 6.500 4.552 4.396 4.631 . 0 0 "[ . 1 . 2 . ]" 5
56 2 27 LEU MD1 2 47 ALA MB 7.500 . 7.500 5.064 4.885 5.142 . 0 0 "[ . 1 . 2 . ]" 5
57 2 28 LEU MD1 2 31 TRP HZ3 6.500 . 6.500 2.687 1.930 3.549 . 0 0 "[ . 1 . 2 . ]" 5
58 2 28 LEU MD1 2 31 TRP HE3 4.800 . 5.000 2.070 1.901 2.870 . 0 0 "[ . 1 . 2 . ]" 5
59 2 28 LEU MD1 2 32 ALA MB 5.800 . 6.000 3.764 3.456 3.908 . 0 0 "[ . 1 . 2 . ]" 5
60 2 28 LEU MD1 2 47 ALA MB 5.800 . 6.000 2.357 1.896 3.246 . 0 0 "[ . 1 . 2 . ]" 5
61 2 31 TRP HZ3 2 43 LEU MD2 6.500 2.500 6.500 3.021 2.744 3.435 . 0 0 "[ . 1 . 2 . ]" 5
62 2 31 TRP HZ3 2 43 LEU MD1 6.500 2.500 6.500 5.442 5.304 5.489 . 0 0 "[ . 1 . 2 . ]" 5
63 2 31 TRP HZ3 2 43 LEU QB 6.000 . 6.000 3.789 3.180 4.506 . 0 0 "[ . 1 . 2 . ]" 5
64 2 31 TRP HH2 2 43 LEU HA 3.300 . 3.500 2.153 1.933 3.025 . 0 0 "[ . 1 . 2 . ]" 5
65 2 31 TRP HH2 2 43 LEU QB 6.000 . 6.000 3.901 2.816 4.414 . 0 0 "[ . 1 . 2 . ]" 5
66 2 31 TRP HH2 2 43 LEU MD2 4.800 . 5.000 3.465 2.930 3.948 . 0 0 "[ . 1 . 2 . ]" 5
67 2 32 ALA HA 2 43 LEU MD2 4.800 . 5.000 1.910 1.801 2.189 . 0 0 "[ . 1 . 2 . ]" 5
68 2 32 ALA HA 2 43 LEU MD1 4.800 . 5.000 3.919 3.423 4.076 . 0 0 "[ . 1 . 2 . ]" 5
69 2 32 ALA MB 2 43 LEU MD1 5.800 . 6.000 3.749 3.077 3.987 . 0 0 "[ . 1 . 2 . ]" 5
70 2 32 ALA MB 2 43 LEU MD2 4.900 . 5.200 2.178 1.902 2.734 . 0 0 "[ . 1 . 2 . ]" 5
71 2 35 ALA MB 2 40 HIS HB3 4.800 . 5.000 2.665 1.951 3.148 . 0 0 "[ . 1 . 2 . ]" 5
72 2 35 ALA MB 2 40 HIS HB2 4.800 . 5.000 2.878 1.922 3.752 . 0 0 "[ . 1 . 2 . ]" 5
73 2 35 ALA MB 2 40 HIS HD1 6.500 . 6.500 4.609 2.391 5.130 . 0 0 "[ . 1 . 2 . ]" 5
74 2 40 HIS HB3 2 43 LEU MD2 4.800 . 5.000 3.899 3.499 4.051 . 0 0 "[ . 1 . 2 . ]" 5
75 2 40 HIS HB2 2 43 LEU MD2 4.800 . 5.000 3.385 2.978 4.061 . 0 0 "[ . 1 . 2 . ]" 5
76 2 40 HIS HB3 2 43 LEU MD1 6.500 . 6.500 3.002 1.863 3.423 . 0 0 "[ . 1 . 2 . ]" 5
77 2 40 HIS HB2 2 43 LEU MD1 6.500 . 6.500 2.026 1.780 3.500 0.020 21 0 "[ . 1 . 2 . ]" 5
78 2 49 PRO HA 2 88 LEU MD2 3.900 . 4.200 2.153 1.928 2.547 . 0 0 "[ . 1 . 2 . ]" 5
79 2 49 PRO QD 2 88 LEU QB 4.900 . 5.200 3.532 3.439 3.594 . 0 0 "[ . 1 . 2 . ]" 5
80 2 52 GLU QB 2 88 LEU MD1 5.800 . 6.000 2.002 1.877 2.181 . 0 0 "[ . 1 . 2 . ]" 5
81 2 53 ARG H 2 88 LEU MD1 6.500 . 6.500 4.245 4.000 4.524 . 0 0 "[ . 1 . 2 . ]" 5
82 2 53 ARG H 2 88 LEU MD2 6.500 . 6.500 5.202 4.898 5.282 . 0 0 "[ . 1 . 2 . ]" 5
83 2 55 LEU MD1 2 74 LEU MD2 5.800 . 6.000 1.806 1.660 1.952 0.140 20 0 "[ . 1 . 2 . ]" 5
84 2 56 LEU HA 2 74 LEU MD1 4.800 . 5.000 2.563 1.987 3.009 . 0 0 "[ . 1 . 2 . ]" 5
85 2 56 LEU HA 2 74 LEU MD2 4.800 . 5.000 3.423 2.959 3.911 . 0 0 "[ . 1 . 2 . ]" 5
86 2 56 LEU H 2 74 LEU MD2 6.500 . 6.500 4.324 3.702 4.862 . 0 0 "[ . 1 . 2 . ]" 5
87 2 56 LEU MD1 2 74 LEU MD1 4.900 . 5.200 2.727 1.940 3.467 . 0 0 "[ . 1 . 2 . ]" 5
88 2 56 LEU MD1 2 76 TRP HZ3 4.800 . 5.000 2.947 2.136 3.782 . 0 0 "[ . 1 . 2 . ]" 5
89 2 59 ALA MB 2 73 LEU MD1 5.800 . 6.000 3.093 1.948 3.968 . 0 0 "[ . 1 . 2 . ]" 5
90 2 59 ALA H 2 74 LEU HG 6.200 . 6.400 5.614 5.298 6.212 . 0 0 "[ . 1 . 2 . ]" 5
91 2 59 ALA H 2 74 LEU MD2 4.800 . 5.000 3.904 3.528 4.056 . 0 0 "[ . 1 . 2 . ]" 5
92 2 59 ALA MB 2 74 LEU MD1 4.900 . 5.200 2.441 2.156 2.797 . 0 0 "[ . 1 . 2 . ]" 5
93 2 59 ALA MB 2 74 LEU MD2 5.800 . 6.000 2.301 1.947 2.590 . 0 0 "[ . 1 . 2 . ]" 5
94 2 60 LEU MD2 2 65 GLY H 4.800 . 5.000 3.110 2.973 3.300 . 0 0 "[ . 1 . 2 . ]" 5
95 2 60 LEU MD2 2 65 GLY QA 5.800 . 6.000 4.124 4.057 4.217 . 0 0 "[ . 1 . 2 . ]" 5
96 2 60 LEU MD2 2 67 LYS HA 3.900 . 4.200 3.301 3.185 3.395 . 0 0 "[ . 1 . 2 . ]" 5
97 2 60 LEU H 2 70 ALA MB 4.800 . 5.000 3.605 3.323 3.939 . 0 0 "[ . 1 . 2 . ]" 5
98 2 60 LEU HA 2 70 ALA MB 4.800 . 5.000 2.765 2.436 3.174 . 0 0 "[ . 1 . 2 . ]" 5
99 2 60 LEU MD1 2 70 ALA MB 5.800 . 6.000 2.717 2.444 3.058 . 0 0 "[ . 1 . 2 . ]" 5
100 2 60 LEU MD2 2 66 HIS H 6.500 . 6.500 5.266 5.066 5.351 . 0 0 "[ . 1 . 2 . ]" 5
101 2 63 THR MG 2 70 ALA H 4.800 . 5.000 4.032 3.949 4.071 . 0 0 "[ . 1 . 2 . ]" 5
102 2 63 THR MG 2 70 ALA HA 4.800 . 5.000 3.917 3.772 4.026 . 0 0 "[ . 1 . 2 . ]" 5
103 2 63 THR MG 2 73 LEU MD1 4.900 . 5.200 2.051 1.768 3.507 0.032 14 0 "[ . 1 . 2 . ]" 5
104 2 67 LYS HA 2 81 LEU MD2 4.800 . 5.000 3.993 3.819 4.096 . 0 0 "[ . 1 . 2 . ]" 5
105 2 70 ALA HA 2 81 LEU MD1 4.800 . 5.000 4.055 3.884 4.101 . 0 0 "[ . 1 . 2 . ]" 5
106 2 70 ALA MB 2 81 LEU MD1 4.900 . 5.200 2.231 1.896 2.410 . 0 0 "[ . 1 . 2 . ]" 5
107 2 70 ALA MB 2 81 LEU MD2 4.900 . 5.200 2.601 2.283 2.957 . 0 0 "[ . 1 . 2 . ]" 5
108 2 70 ALA MB 2 81 LEU HG 6.500 . 6.500 3.879 3.698 4.024 . 0 0 "[ . 1 . 2 . ]" 5
109 2 71 ALA MB 2 76 TRP HB3 5.800 . 6.000 4.010 3.506 4.356 . 0 0 "[ . 1 . 2 . ]" 5
110 2 71 ALA MB 2 76 TRP HB2 5.800 . 6.000 3.707 3.468 3.949 . 0 0 "[ . 1 . 2 . ]" 5
111 2 71 ALA H 2 81 LEU MD1 6.500 . 6.500 2.305 2.240 2.385 . 0 0 "[ . 1 . 2 . ]" 5
112 2 71 ALA H 2 81 LEU MD2 6.500 . 6.500 4.213 4.045 4.414 . 0 0 "[ . 1 . 2 . ]" 5
113 2 71 ALA HA 2 81 LEU MD1 4.800 . 5.000 1.773 1.754 1.819 0.046 14 0 "[ . 1 . 2 . ]" 5
114 2 71 ALA HA 2 81 LEU MD2 4.800 . 5.000 4.224 4.175 4.262 . 0 0 "[ . 1 . 2 . ]" 5
115 2 71 ALA MB 2 81 LEU MD1 4.900 . 5.200 1.831 1.807 1.866 . 0 0 "[ . 1 . 2 . ]" 5
116 2 74 LEU MD1 2 76 TRP HE3 4.800 . 5.000 3.792 3.329 4.017 . 0 0 "[ . 1 . 2 . ]" 5
117 2 74 LEU MD1 2 76 TRP HZ2 6.500 . 6.500 5.248 5.022 5.299 . 0 0 "[ . 1 . 2 . ]" 5
118 2 74 LEU MD1 2 76 TRP HZ3 6.500 . 6.500 4.446 3.930 4.727 . 0 0 "[ . 1 . 2 . ]" 5
119 2 76 TRP HA 2 80 THR HB 5.000 . 5.000 3.572 3.138 3.928 . 0 0 "[ . 1 . 2 . ]" 5
120 2 76 TRP QB 2 80 THR HB 4.800 . 5.000 2.238 1.937 2.752 . 0 0 "[ . 1 . 2 . ]" 5
121 2 76 TRP HD1 2 80 THR MG 4.800 . 5.000 3.834 3.262 4.040 . 0 0 "[ . 1 . 2 . ]" 5
122 2 76 TRP HE1 2 80 THR MG 6.500 . 6.500 4.172 3.736 4.389 . 0 0 "[ . 1 . 2 . ]" 5
123 2 76 TRP HE3 2 81 LEU HA 3.300 . 3.500 2.362 1.964 2.719 . 0 0 "[ . 1 . 2 . ]" 5
124 2 76 TRP HE3 2 81 LEU HB3 5.000 . 5.000 4.642 4.262 4.869 . 0 0 "[ . 1 . 2 . ]" 5
125 2 76 TRP HE3 2 81 LEU HB2 5.000 . 5.000 3.841 3.434 4.133 . 0 0 "[ . 1 . 2 . ]" 5
126 2 76 TRP HE3 2 81 LEU MD1 4.800 . 5.000 3.578 3.277 3.878 . 0 0 "[ . 1 . 2 . ]" 5
127 2 77 GLY H 2 80 THR MG 6.500 . 6.500 4.375 3.097 4.808 . 0 0 "[ . 1 . 2 . ]" 5
128 2 80 THR MG 2 84 LYS H 6.500 . 6.500 3.702 3.496 3.948 . 0 0 "[ . 1 . 2 . ]" 5
129 2 82 THR HA 2 85 LEU MD1 4.800 . 5.000 3.550 3.053 4.028 . 0 0 "[ . 1 . 2 . ]" 5
130 2 21 PRO HA 2 22 ASP H 2.400 . 2.700 2.422 2.216 2.674 . 0 0 "[ . 1 . 2 . ]" 5
131 2 23 SER HA 2 26 THR HB 5.000 . 5.000 3.799 2.352 5.078 0.078 28 0 "[ . 1 . 2 . ]" 5
132 2 24 TRP HA 2 25 ALA H 5.000 . 5.000 3.588 3.518 3.599 . 0 0 "[ . 1 . 2 . ]" 5
133 2 24 TRP HE3 2 25 ALA MB 6.500 . 6.500 4.210 4.018 4.731 . 0 0 "[ . 1 . 2 . ]" 5
134 2 24 TRP HE3 2 25 ALA HA 3.300 . 3.500 3.434 3.269 3.569 0.069 23 0 "[ . 1 . 2 . ]" 5
135 2 24 TRP H 2 26 THR H 5.000 . 5.000 4.424 4.097 4.590 . 0 0 "[ . 1 . 2 . ]" 5
136 2 24 TRP HA 2 26 THR H 5.000 . 5.000 4.630 3.935 4.815 . 0 0 "[ . 1 . 2 . ]" 5
137 2 24 TRP HA 2 27 LEU HB3 3.300 . 3.500 2.627 2.521 2.684 . 0 0 "[ . 1 . 2 . ]" 5
138 2 24 TRP HA 2 27 LEU HB2 3.300 . 3.500 3.506 3.407 3.561 0.061 18 0 "[ . 1 . 2 . ]" 5
139 2 24 TRP HA 2 27 LEU H 3.300 . 3.500 3.503 3.033 3.554 0.054 13 0 "[ . 1 . 2 . ]" 5
140 2 24 TRP HA 2 28 LEU H 5.000 . 5.000 4.259 4.173 4.431 . 0 0 "[ . 1 . 2 . ]" 5
141 2 24 TRP HZ2 2 28 LEU MD2 6.500 . 6.500 5.042 3.849 5.313 . 0 0 "[ . 1 . 2 . ]" 5
142 2 25 ALA H 2 26 THR H 3.300 . 3.500 2.990 2.702 3.072 . 0 0 "[ . 1 . 2 . ]" 5
143 2 25 ALA HA 2 26 THR H 5.000 . 5.000 3.591 3.534 3.601 . 0 0 "[ . 1 . 2 . ]" 5
144 2 25 ALA MB 2 26 THR H 4.800 . 5.000 2.412 2.237 2.604 . 0 0 "[ . 1 . 2 . ]" 5
145 2 25 ALA HA 2 27 LEU H 5.000 . 5.000 4.331 4.171 4.722 . 0 0 "[ . 1 . 2 . ]" 5
146 2 25 ALA HA 2 28 LEU H 3.300 . 3.500 3.221 3.146 3.352 . 0 0 "[ . 1 . 2 . ]" 5
147 2 25 ALA HA 2 28 LEU HB3 2.400 . 2.700 2.749 2.471 2.794 0.094 21 0 "[ . 1 . 2 . ]" 5
148 2 25 ALA HA 2 28 LEU HB2 2.400 . 2.700 2.642 2.216 2.746 0.046 7 0 "[ . 1 . 2 . ]" 5
149 2 25 ALA HA 2 29 ALA H 5.000 . 5.000 3.937 3.758 4.275 . 0 0 "[ . 1 . 2 . ]" 5
150 2 26 THR H 2 26 THR HA 2.400 . 2.900 2.852 2.837 2.882 . 0 0 "[ . 1 . 2 . ]" 5
151 2 26 THR H 2 26 THR HB 2.400 . 2.900 2.609 2.232 2.830 . 0 0 "[ . 1 . 2 . ]" 5
152 2 26 THR H 2 27 LEU H 2.400 . 2.900 2.687 2.600 2.732 . 0 0 "[ . 1 . 2 . ]" 5
153 2 26 THR HA 2 27 LEU H 5.000 . 5.000 3.548 3.529 3.571 . 0 0 "[ . 1 . 2 . ]" 5
154 2 26 THR H 2 28 LEU H 5.000 . 5.000 3.912 3.678 4.008 . 0 0 "[ . 1 . 2 . ]" 5
155 2 26 THR HA 2 28 LEU H 5.000 . 5.000 4.131 3.945 4.295 . 0 0 "[ . 1 . 2 . ]" 5
156 2 26 THR HA 2 29 ALA H 3.300 . 3.500 3.511 3.400 3.563 0.063 21 0 "[ . 1 . 2 . ]" 5
157 2 26 THR HA 2 29 ALA MB 3.900 . 4.200 2.855 2.643 3.176 . 0 0 "[ . 1 . 2 . ]" 5
158 2 26 THR HB 2 27 LEU H 4.300 . 4.500 2.568 2.250 2.709 . 0 0 "[ . 1 . 2 . ]" 5
159 2 26 THR MG 2 27 LEU H 6.500 . 6.500 3.698 3.209 3.958 . 0 0 "[ . 1 . 2 . ]" 5
160 2 27 LEU HA 2 27 LEU MD1 3.900 . 4.200 3.131 3.044 3.421 . 0 0 "[ . 1 . 2 . ]" 5
161 2 27 LEU HA 2 28 LEU H 5.000 . 5.000 3.496 3.463 3.526 . 0 0 "[ . 1 . 2 . ]" 5
162 2 27 LEU H 2 29 ALA H 5.000 . 5.000 4.148 3.948 4.493 . 0 0 "[ . 1 . 2 . ]" 5
163 2 27 LEU HA 2 30 GLN H 5.000 . 5.000 3.719 3.600 3.855 . 0 0 "[ . 1 . 2 . ]" 5
164 2 27 LEU HA 2 30 GLN QB 4.300 . 4.500 2.925 2.651 3.146 . 0 0 "[ . 1 . 2 . ]" 5
165 2 27 LEU HA 2 31 TRP H 5.000 . 5.000 3.759 3.642 3.887 . 0 0 "[ . 1 . 2 . ]" 5
166 2 27 LEU QB 2 28 LEU H 4.300 . 4.500 2.792 2.656 2.898 . 0 0 "[ . 1 . 2 . ]" 5
167 2 28 LEU H 2 28 LEU HA 2.400 . 2.900 2.922 2.893 2.938 0.038 5 0 "[ . 1 . 2 . ]" 5
168 2 28 LEU HA 2 28 LEU MD1 3.900 . 4.200 1.985 1.875 2.380 . 0 0 "[ . 1 . 2 . ]" 5
169 2 28 LEU HA 2 31 TRP H 3.300 . 3.500 3.517 3.485 3.533 0.033 18 0 "[ . 1 . 2 . ]" 5
170 2 28 LEU H 2 29 ALA H 3.300 . 3.500 2.457 2.338 2.577 . 0 0 "[ . 1 . 2 . ]" 5
171 2 28 LEU HA 2 31 TRP QB 6.000 . 6.000 2.365 2.127 2.685 . 0 0 "[ . 1 . 2 . ]" 5
172 2 28 LEU MD2 2 31 TRP HZ3 4.800 . 5.000 4.059 3.976 4.133 . 0 0 "[ . 1 . 2 . ]" 5
173 2 29 ALA H 2 29 ALA HA 2.400 . 2.900 2.894 2.856 2.916 0.016 23 0 "[ . 1 . 2 . ]" 5
174 2 29 ALA H 2 30 GLN H 3.300 . 3.500 2.582 2.471 2.796 . 0 0 "[ . 1 . 2 . ]" 5
175 2 29 ALA HA 2 30 GLN H 5.000 . 5.000 3.550 3.485 3.593 . 0 0 "[ . 1 . 2 . ]" 5
176 2 29 ALA MB 2 30 GLN H 3.900 . 4.200 2.545 2.179 2.817 . 0 0 "[ . 1 . 2 . ]" 5
177 2 29 ALA MB 2 30 GLN QG 4.900 . 5.200 3.235 2.970 3.652 . 0 0 "[ . 1 . 2 . ]" 5
178 2 29 ALA HA 2 32 ALA MB 3.900 . 4.200 3.189 3.034 3.384 . 0 0 "[ . 1 . 2 . ]" 5
179 2 29 ALA HA 2 33 ASP H 5.000 . 5.000 4.577 4.177 5.005 0.005 26 0 "[ . 1 . 2 . ]" 5
180 2 30 GLN H 2 30 GLN HA 2.400 . 2.900 2.927 2.883 2.951 0.051 24 0 "[ . 1 . 2 . ]" 5
181 2 30 GLN H 2 30 GLN HB3 3.300 . 3.500 3.472 3.364 3.510 0.010 8 0 "[ . 1 . 2 . ]" 5
182 2 30 GLN H 2 30 GLN HB2 3.300 . 3.500 2.131 2.007 2.209 . 0 0 "[ . 1 . 2 . ]" 5
183 2 30 GLN H 2 30 GLN HG3 3.300 . 3.500 3.012 2.520 3.425 . 0 0 "[ . 1 . 2 . ]" 5
184 2 30 GLN H 2 30 GLN HG2 3.300 . 3.500 3.303 2.911 3.509 0.009 15 0 "[ . 1 . 2 . ]" 5
185 2 30 GLN HA 2 30 GLN HG3 3.300 . 3.500 3.335 3.077 3.533 0.033 19 0 "[ . 1 . 2 . ]" 5
186 2 30 GLN HA 2 30 GLN HG2 3.300 . 3.500 2.131 1.993 2.259 . 0 0 "[ . 1 . 2 . ]" 5
187 2 30 GLN H 2 31 TRP H 3.300 . 3.500 2.438 2.310 2.587 . 0 0 "[ . 1 . 2 . ]" 5
188 2 30 GLN HA 2 31 TRP H 5.000 . 5.000 3.552 3.534 3.576 . 0 0 "[ . 1 . 2 . ]" 5
189 2 30 GLN HB3 2 31 TRP H 3.300 . 3.500 3.447 3.164 3.515 0.015 24 0 "[ . 1 . 2 . ]" 5
190 2 30 GLN HB2 2 31 TRP H 3.300 . 3.500 2.734 2.602 2.849 . 0 0 "[ . 1 . 2 . ]" 5
191 2 30 GLN HG3 2 31 TRP H 5.000 . 5.000 4.727 4.452 4.960 . 0 0 "[ . 1 . 2 . ]" 5
192 2 30 GLN HG2 2 31 TRP H 5.000 . 5.000 4.791 4.617 4.915 . 0 0 "[ . 1 . 2 . ]" 5
193 2 30 GLN H 2 32 ALA H 5.000 . 5.000 4.342 3.876 4.593 . 0 0 "[ . 1 . 2 . ]" 5
194 2 30 GLN HA 2 33 ASP QB 3.400 . 3.700 2.608 2.339 3.205 . 0 0 "[ . 1 . 2 . ]" 5
195 2 30 GLN HA 2 33 ASP H 3.300 . 3.600 3.589 3.495 3.622 0.022 1 0 "[ . 1 . 2 . ]" 5
196 2 30 GLN HA 2 34 ARG H 5.000 . 5.000 4.037 3.812 4.347 . 0 0 "[ . 1 . 2 . ]" 5
197 2 31 TRP H 2 31 TRP HB3 3.300 . 3.500 2.248 2.189 2.345 . 0 0 "[ . 1 . 2 . ]" 5
198 2 31 TRP H 2 31 TRP HB2 3.300 . 3.500 2.608 2.537 2.657 . 0 0 "[ . 1 . 2 . ]" 5
199 2 31 TRP H 2 32 ALA H 3.300 . 3.500 2.819 2.627 2.967 . 0 0 "[ . 1 . 2 . ]" 5
200 2 31 TRP HA 2 32 ALA H 5.000 . 5.000 3.590 3.549 3.596 . 0 0 "[ . 1 . 2 . ]" 5
201 2 31 TRP HB3 2 32 ALA H 5.000 . 5.000 2.318 2.196 2.690 . 0 0 "[ . 1 . 2 . ]" 5
202 2 31 TRP HB2 2 32 ALA H 5.000 . 5.000 3.774 3.695 3.974 . 0 0 "[ . 1 . 2 . ]" 5
203 2 31 TRP HE3 2 32 ALA MB 6.500 . 6.500 3.001 2.455 3.914 . 0 0 "[ . 1 . 2 . ]" 5
204 2 31 TRP H 2 33 ASP H 5.000 . 5.000 3.914 3.777 4.289 . 0 0 "[ . 1 . 2 . ]" 5
205 2 31 TRP HA 2 34 ARG H 3.300 . 3.500 3.443 3.340 3.513 0.013 11 0 "[ . 1 . 2 . ]" 5
206 2 31 TRP HA 2 35 ALA H 5.000 . 5.000 4.107 3.645 4.464 . 0 0 "[ . 1 . 2 . ]" 5
207 2 32 ALA H 2 33 ASP H 3.300 . 3.500 2.762 2.692 2.809 . 0 0 "[ . 1 . 2 . ]" 5
208 2 32 ALA HA 2 33 ASP H 3.300 . 3.500 3.519 3.490 3.550 0.050 26 0 "[ . 1 . 2 . ]" 5
209 2 32 ALA H 2 34 ARG H 5.000 . 5.000 4.500 4.292 4.647 . 0 0 "[ . 1 . 2 . ]" 5
210 2 32 ALA HA 2 34 ARG H 5.000 . 5.000 4.822 4.588 5.004 0.004 24 0 "[ . 1 . 2 . ]" 5
211 2 32 ALA HA 2 35 ALA H 5.000 . 5.000 3.777 3.636 3.936 . 0 0 "[ . 1 . 2 . ]" 5
212 2 32 ALA HA 2 35 ALA MB 3.400 . 3.700 2.863 2.713 2.986 . 0 0 "[ . 1 . 2 . ]" 5
213 2 32 ALA HA 2 36 LEU H 5.000 . 5.000 4.203 4.017 4.343 . 0 0 "[ . 1 . 2 . ]" 5
214 2 33 ASP H 2 34 ARG H 2.400 . 2.900 2.576 2.509 2.691 . 0 0 "[ . 1 . 2 . ]" 5
215 2 33 ASP QB 2 34 ARG H 4.300 . 4.500 2.381 2.223 2.564 . 0 0 "[ . 1 . 2 . ]" 5
216 2 33 ASP H 2 36 LEU MD1 6.500 . 6.500 4.869 3.951 5.291 . 0 0 "[ . 1 . 2 . ]" 5
217 2 33 ASP HA 2 36 LEU H 5.000 . 5.000 3.318 3.195 3.481 . 0 0 "[ . 1 . 2 . ]" 5
218 2 33 ASP HA 2 36 LEU HB3 3.300 . 3.500 3.425 2.249 3.526 0.026 15 0 "[ . 1 . 2 . ]" 5
219 2 33 ASP HA 2 36 LEU HB2 3.300 . 3.500 2.427 2.189 3.510 0.010 27 0 "[ . 1 . 2 . ]" 5
220 2 34 ARG H 2 34 ARG HA 2.400 . 2.900 2.835 2.817 2.864 . 0 0 "[ . 1 . 2 . ]" 5
221 2 34 ARG H 2 34 ARG QD 6.000 . 6.000 4.113 3.394 4.722 . 0 0 "[ . 1 . 2 . ]" 5
222 2 34 ARG HA 2 34 ARG QD 4.300 . 4.500 3.401 1.934 4.033 . 0 0 "[ . 1 . 2 . ]" 5
223 2 34 ARG H 2 35 ALA H 2.400 . 2.900 2.733 2.637 2.825 . 0 0 "[ . 1 . 2 . ]" 5
224 2 34 ARG HA 2 35 ALA H 3.300 . 3.500 3.537 3.508 3.565 0.065 27 0 "[ . 1 . 2 . ]" 5
225 2 34 ARG H 2 36 LEU H 5.000 . 5.000 4.163 3.847 4.333 . 0 0 "[ . 1 . 2 . ]" 5
226 2 34 ARG HA 2 37 ARG H 5.000 . 5.000 3.781 3.481 4.031 . 0 0 "[ . 1 . 2 . ]" 5
227 2 34 ARG QB 2 35 ALA H 4.300 . 4.500 2.642 2.477 2.867 . 0 0 "[ . 1 . 2 . ]" 5
228 2 35 ALA H 2 35 ALA HA 2.400 . 2.900 2.910 2.873 2.941 0.041 26 0 "[ . 1 . 2 . ]" 5
229 2 35 ALA H 2 36 LEU H 3.300 . 3.500 2.508 2.354 2.603 . 0 0 "[ . 1 . 2 . ]" 5
230 2 35 ALA HA 2 37 ARG H 5.000 . 5.000 4.277 3.875 4.591 . 0 0 "[ . 1 . 2 . ]" 5
231 2 35 ALA HA 2 38 SER H 5.000 . 5.000 3.741 3.082 4.952 . 0 0 "[ . 1 . 2 . ]" 5
232 2 35 ALA MB 2 36 LEU H 4.300 . 4.500 2.594 2.462 2.899 . 0 0 "[ . 1 . 2 . ]" 5
233 2 36 LEU H 2 36 LEU HA 2.400 . 2.900 2.849 2.792 2.919 0.019 27 0 "[ . 1 . 2 . ]" 5
234 2 36 LEU H 2 36 LEU HB3 3.300 . 3.500 3.153 2.044 3.324 . 0 0 "[ . 1 . 2 . ]" 5
235 2 36 LEU H 2 36 LEU HB2 3.300 . 3.500 1.976 1.937 2.824 . 0 0 "[ . 1 . 2 . ]" 5
236 2 36 LEU H 2 36 LEU MD1 3.900 . 4.200 2.881 2.519 3.364 . 0 0 "[ . 1 . 2 . ]" 5
237 2 36 LEU H 2 36 LEU MD2 4.800 . 5.000 4.085 3.960 4.268 . 0 0 "[ . 1 . 2 . ]" 5
238 2 36 LEU HA 2 36 LEU HG 3.300 . 3.500 2.339 2.045 3.750 0.250 27 0 "[ . 1 . 2 . ]" 5
239 2 36 LEU HA 2 36 LEU MD1 3.900 . 4.200 2.420 1.930 3.600 . 0 0 "[ . 1 . 2 . ]" 5
240 2 36 LEU H 2 37 ARG H 3.300 . 3.500 2.729 2.461 2.955 . 0 0 "[ . 1 . 2 . ]" 5
241 2 36 LEU HA 2 37 ARG H 5.000 . 5.000 3.552 3.472 3.588 . 0 0 "[ . 1 . 2 . ]" 5
242 2 36 LEU QB 2 37 ARG H 4.300 . 4.500 2.674 2.397 3.034 . 0 0 "[ . 1 . 2 . ]" 5
243 2 36 LEU MD1 2 37 ARG H 6.500 . 6.500 4.451 2.187 4.902 . 0 0 "[ . 1 . 2 . ]" 5
244 2 36 LEU MD2 2 37 ARG H 6.500 . 6.500 4.590 3.736 4.970 . 0 0 "[ . 1 . 2 . ]" 5
245 2 36 LEU H 2 38 SER H 5.000 . 5.000 4.264 3.789 5.006 0.006 10 0 "[ . 1 . 2 . ]" 5
246 2 36 LEU HA 2 40 HIS H 3.300 . 3.500 3.193 2.596 3.479 . 0 0 "[ . 1 . 2 . ]" 5
247 2 37 ARG H 2 37 ARG HA 2.400 . 2.900 2.912 2.822 2.952 0.052 23 0 "[ . 1 . 2 . ]" 5
248 2 37 ARG H 2 38 SER H 3.300 . 3.500 2.789 2.344 3.495 . 0 0 "[ . 1 . 2 . ]" 5
249 2 37 ARG HA 2 38 SER H 3.300 . 3.500 3.268 2.726 3.563 0.063 4 0 "[ . 1 . 2 . ]" 5
250 2 38 SER QB 2 39 GLY H 4.300 . 4.500 2.924 1.896 4.043 . 0 0 "[ . 1 . 2 . ]" 5
251 2 39 GLY H 2 39 GLY HA3 2.400 . 2.900 2.827 2.678 2.981 0.081 25 0 "[ . 1 . 2 . ]" 5
252 2 39 GLY H 2 39 GLY HA2 2.400 . 2.900 2.624 2.347 2.951 0.051 14 0 "[ . 1 . 2 . ]" 5
253 2 39 GLY H 2 40 HIS H 3.300 . 3.500 3.039 2.010 3.522 0.022 11 0 "[ . 1 . 2 . ]" 5
254 2 39 GLY HA3 2 40 HIS H 5.000 . 5.000 3.544 3.439 3.588 . 0 0 "[ . 1 . 2 . ]" 5
255 2 39 GLY HA2 2 40 HIS H 5.000 . 5.000 2.459 2.234 2.856 . 0 0 "[ . 1 . 2 . ]" 5
256 2 40 HIS H 2 40 HIS HB3 3.300 . 3.500 2.587 2.333 3.284 . 0 0 "[ . 1 . 2 . ]" 5
257 2 40 HIS H 2 40 HIS HD1 3.300 . 3.500 2.405 1.921 3.534 0.034 11 0 "[ . 1 . 2 . ]" 5
258 2 40 HIS H 2 40 HIS HB2 3.300 . 3.500 3.362 1.942 3.568 0.068 11 0 "[ . 1 . 2 . ]" 5
259 2 40 HIS HA 2 40 HIS HB3 2.400 . 2.700 2.495 2.414 2.827 0.127 22 0 "[ . 1 . 2 . ]" 5
260 2 40 HIS HA 2 40 HIS HB2 2.400 . 2.700 2.531 2.430 2.869 0.169 25 0 "[ . 1 . 2 . ]" 5
261 2 40 HIS HA 2 41 GLN H 2.400 . 2.700 2.421 2.206 2.697 . 0 0 "[ . 1 . 2 . ]" 5
262 2 40 HIS HB3 2 41 GLN H 5.000 . 5.000 3.912 2.490 4.506 . 0 0 "[ . 1 . 2 . ]" 5
263 2 40 HIS HB2 2 41 GLN H 5.000 . 5.000 2.919 2.081 4.663 . 0 0 "[ . 1 . 2 . ]" 5
264 2 41 GLN H 2 41 GLN HA 2.400 . 2.900 2.934 2.853 2.971 0.071 18 0 "[ . 1 . 2 . ]" 5
265 2 41 GLN H 2 41 GLN HB3 3.300 . 3.500 3.176 2.428 3.537 0.037 24 0 "[ . 1 . 2 . ]" 5
266 2 41 GLN H 2 41 GLN HB2 3.300 . 3.500 2.992 1.970 3.596 0.096 17 0 "[ . 1 . 2 . ]" 5
267 2 41 GLN H 2 42 ASN H 5.000 . 5.000 3.284 2.247 4.441 . 0 0 "[ . 1 . 2 . ]" 5
268 2 41 GLN HB3 2 42 ASN H 5.000 . 5.000 2.252 1.926 4.007 . 0 0 "[ . 1 . 2 . ]" 5
269 2 41 GLN HB2 2 42 ASN H 5.000 . 5.000 3.027 1.920 3.894 . 0 0 "[ . 1 . 2 . ]" 5
270 2 42 ASN H 2 42 ASN HA 2.400 . 2.900 2.909 2.813 2.953 0.053 21 0 "[ . 1 . 2 . ]" 5
271 2 42 ASN H 2 43 LEU H 5.000 . 5.000 3.752 3.107 4.422 . 0 0 "[ . 1 . 2 . ]" 5
272 2 42 ASN HA 2 43 LEU H 3.300 . 3.500 2.557 2.242 2.922 . 0 0 "[ . 1 . 2 . ]" 5
273 2 42 ASN HA 2 43 LEU QB 6.000 . 6.000 4.369 4.216 4.564 . 0 0 "[ . 1 . 2 . ]" 5
274 2 42 ASN HA 2 45 SER H 5.000 . 5.000 3.570 3.159 4.039 . 0 0 "[ . 1 . 2 . ]" 5
275 2 43 LEU H 2 43 LEU HG 3.300 . 3.300 3.000 2.706 3.315 0.015 26 0 "[ . 1 . 2 . ]" 5
276 2 43 LEU HA 2 43 LEU MD2 3.900 . 4.200 2.627 2.076 3.111 . 0 0 "[ . 1 . 2 . ]" 5
277 2 43 LEU QB 2 44 LEU H 4.300 . 4.500 2.109 1.968 2.331 . 0 0 "[ . 1 . 2 . ]" 5
278 2 43 LEU H 2 44 LEU H 5.000 . 5.000 3.018 2.598 3.303 . 0 0 "[ . 1 . 2 . ]" 5
279 2 43 LEU HA 2 44 LEU H 5.000 . 5.000 3.570 3.543 3.595 . 0 0 "[ . 1 . 2 . ]" 5
280 2 43 LEU HA 2 46 GLU H 5.000 . 5.000 3.974 3.578 4.533 . 0 0 "[ . 1 . 2 . ]" 5
281 2 43 LEU HA 2 46 GLU QB 6.000 . 6.000 3.283 2.845 3.996 . 0 0 "[ . 1 . 2 . ]" 5
282 2 44 LEU H 2 44 LEU HA 2.400 . 2.900 2.861 2.785 2.948 0.048 16 0 "[ . 1 . 2 . ]" 5
283 2 44 LEU H 2 44 LEU HB3 3.300 . 3.500 3.437 3.365 3.480 . 0 0 "[ . 1 . 2 . ]" 5
284 2 44 LEU H 2 44 LEU HB2 3.300 . 3.500 2.082 2.009 2.160 . 0 0 "[ . 1 . 2 . ]" 5
285 2 44 LEU H 2 44 LEU HG 3.300 . 3.500 2.800 2.464 3.604 0.104 19 0 "[ . 1 . 2 . ]" 5
286 2 44 LEU HA 2 44 LEU HG 3.300 . 3.500 2.566 2.352 3.572 0.072 19 0 "[ . 1 . 2 . ]" 5
287 2 44 LEU HA 2 44 LEU MD2 3.900 . 4.200 2.092 1.901 2.361 . 0 0 "[ . 1 . 2 . ]" 5
288 2 44 LEU H 2 45 SER H 3.300 . 3.500 2.644 2.334 2.860 . 0 0 "[ . 1 . 2 . ]" 5
289 2 44 LEU HA 2 45 SER H 3.300 . 3.500 3.517 3.496 3.538 0.038 20 0 "[ . 1 . 2 . ]" 5
290 2 44 LEU HA 2 47 ALA H 5.000 . 5.000 3.584 3.372 3.780 . 0 0 "[ . 1 . 2 . ]" 5
291 2 44 LEU HA 2 47 ALA MB 4.800 . 5.000 3.359 2.949 3.659 . 0 0 "[ . 1 . 2 . ]" 5
292 2 44 LEU HB3 2 45 SER H 3.300 . 3.500 3.505 3.429 3.536 0.036 5 0 "[ . 1 . 2 . ]" 5
293 2 44 LEU HB2 2 45 SER H 3.300 . 3.500 2.967 2.788 3.144 . 0 0 "[ . 1 . 2 . ]" 5
294 2 44 LEU MD2 2 45 SER H 6.500 . 6.500 4.653 4.044 4.753 . 0 0 "[ . 1 . 2 . ]" 5
295 2 44 LEU HA 2 48 GLN H 5.000 . 5.000 3.972 3.729 4.259 . 0 0 "[ . 1 . 2 . ]" 5
296 2 45 SER H 2 45 SER HA 2.400 . 2.900 2.884 2.849 2.910 0.010 7 0 "[ . 1 . 2 . ]" 5
297 2 45 SER H 2 46 GLU H 3.300 . 3.500 2.623 2.528 2.740 . 0 0 "[ . 1 . 2 . ]" 5
298 2 45 SER HA 2 46 GLU H 5.000 . 5.000 3.463 3.425 3.502 . 0 0 "[ . 1 . 2 . ]" 5
299 2 45 SER QB 2 46 GLU H 4.300 . 4.500 3.083 2.935 3.682 . 0 0 "[ . 1 . 2 . ]" 5
300 2 45 SER HA 2 48 GLN QB 6.000 . 6.200 2.452 2.088 2.669 . 0 0 "[ . 1 . 2 . ]" 5
301 2 46 GLU H 2 46 GLU QG 3.900 . 4.100 3.408 2.788 3.716 . 0 0 "[ . 1 . 2 . ]" 5
302 2 46 GLU HA 2 46 GLU HG3 2.400 . 2.700 2.532 2.206 2.710 0.010 10 0 "[ . 1 . 2 . ]" 5
303 2 46 GLU HA 2 46 GLU HG2 2.400 . 2.700 2.347 2.144 2.657 . 0 0 "[ . 1 . 2 . ]" 5
304 2 46 GLU H 2 47 ALA H 2.400 . 2.700 2.516 2.415 2.697 . 0 0 "[ . 1 . 2 . ]" 5
305 2 47 ALA H 2 48 GLN H 3.300 . 3.500 2.489 2.358 2.559 . 0 0 "[ . 1 . 2 . ]" 5
306 2 47 ALA MB 2 48 GLN H 4.800 . 5.000 3.011 2.854 3.200 . 0 0 "[ . 1 . 2 . ]" 5
307 2 47 ALA HA 2 50 GLU H 5.000 . 5.000 3.156 3.076 3.244 . 0 0 "[ . 1 . 2 . ]" 5
308 2 47 ALA HA 2 50 GLU HB3 3.300 . 3.500 3.051 2.499 3.500 0.000 1 0 "[ . 1 . 2 . ]" 5
309 2 47 ALA HA 2 50 GLU HB2 3.300 . 3.500 2.037 1.933 2.435 . 0 0 "[ . 1 . 2 . ]" 5
310 2 48 GLN HA 2 48 GLN HG3 2.400 . 2.700 2.488 2.197 2.714 0.014 9 0 "[ . 1 . 2 . ]" 5
311 2 48 GLN HA 2 48 GLN HG2 2.400 . 2.700 2.384 2.145 2.654 . 0 0 "[ . 1 . 2 . ]" 5
312 2 48 GLN H 2 49 PRO HD3 3.300 . 3.500 3.202 3.116 3.319 . 0 0 "[ . 1 . 2 . ]" 5
313 2 48 GLN H 2 49 PRO HD2 3.300 . 3.500 2.220 2.152 2.285 . 0 0 "[ . 1 . 2 . ]" 5
314 2 48 GLN HA 2 51 LEU H 5.000 . 5.000 4.054 3.808 4.256 . 0 0 "[ . 1 . 2 . ]" 5
315 2 49 PRO HA 2 50 GLU H 5.000 . 5.000 3.498 3.444 3.549 . 0 0 "[ . 1 . 2 . ]" 5
316 2 49 PRO HD3 2 50 GLU H 5.000 . 5.000 3.875 3.819 3.940 . 0 0 "[ . 1 . 2 . ]" 5
317 2 49 PRO HD2 2 50 GLU H 5.000 . 5.000 2.692 2.605 2.799 . 0 0 "[ . 1 . 2 . ]" 5
318 2 49 PRO HA 2 52 GLU HB3 3.300 . 3.500 3.148 2.574 3.517 0.017 5 0 "[ . 1 . 2 . ]" 5
319 2 49 PRO HA 2 52 GLU HB2 3.300 . 3.500 2.545 2.024 3.398 . 0 0 "[ . 1 . 2 . ]" 5
320 2 50 GLU H 2 50 GLU QG 4.300 . 4.500 3.500 2.139 4.024 . 0 0 "[ . 1 . 2 . ]" 5
321 2 50 GLU H 2 51 LEU H 3.300 . 3.500 2.741 2.539 2.945 . 0 0 "[ . 1 . 2 . ]" 5
322 2 50 GLU HA 2 51 LEU H 5.000 . 5.000 3.579 3.548 3.593 . 0 0 "[ . 1 . 2 . ]" 5
323 2 50 GLU HA 2 53 ARG H 5.000 . 5.000 3.739 3.644 3.883 . 0 0 "[ . 1 . 2 . ]" 5
324 2 50 GLU HA 2 53 ARG HB3 3.300 . 3.500 3.173 2.804 3.512 0.012 26 0 "[ . 1 . 2 . ]" 5
325 2 50 GLU HA 2 53 ARG HB2 3.300 . 3.500 3.479 3.373 3.537 0.037 28 0 "[ . 1 . 2 . ]" 5
326 2 51 LEU HA 2 51 LEU MD1 3.900 . 4.200 2.641 1.945 3.095 . 0 0 "[ . 1 . 2 . ]" 5
327 2 51 LEU QB 2 52 GLU H 6.000 . 6.000 2.456 2.264 2.640 . 0 0 "[ . 1 . 2 . ]" 5
328 2 51 LEU H 2 52 GLU H 3.300 . 3.500 2.634 2.489 2.804 . 0 0 "[ . 1 . 2 . ]" 5
329 2 51 LEU HA 2 52 GLU H 5.000 . 5.000 3.573 3.544 3.591 . 0 0 "[ . 1 . 2 . ]" 5
330 2 51 LEU HA 2 54 THR HB 3.300 . 3.500 3.072 2.648 3.458 . 0 0 "[ . 1 . 2 . ]" 5
331 2 52 GLU H 2 53 ARG H 3.300 . 3.500 2.690 2.543 2.811 . 0 0 "[ . 1 . 2 . ]" 5
332 2 52 GLU HA 2 53 ARG H 5.000 . 5.000 3.538 3.473 3.585 . 0 0 "[ . 1 . 2 . ]" 5
333 2 52 GLU H 2 88 LEU MD1 4.800 . 5.000 3.928 3.804 4.037 . 0 0 "[ . 1 . 2 . ]" 5
334 2 53 ARG H 2 54 THR H 3.300 . 3.500 2.712 2.379 2.868 . 0 0 "[ . 1 . 2 . ]" 5
335 2 53 ARG HA 2 54 THR H 5.000 . 5.000 3.586 3.545 3.596 . 0 0 "[ . 1 . 2 . ]" 5
336 2 53 ARG HA 2 56 LEU HB3 3.300 . 3.500 2.744 2.208 3.482 . 0 0 "[ . 1 . 2 . ]" 5
337 2 53 ARG HA 2 56 LEU HB2 3.300 . 3.500 3.456 2.665 3.523 0.023 9 0 "[ . 1 . 2 . ]" 5
338 2 54 THR H 2 54 THR HB 2.400 . 2.700 2.515 2.391 2.689 . 0 0 "[ . 1 . 2 . ]" 5
339 2 54 THR H 2 55 LEU H 3.300 . 3.500 2.870 2.605 3.077 . 0 0 "[ . 1 . 2 . ]" 5
340 2 54 THR HB 2 55 LEU H 3.300 . 3.500 2.499 2.008 3.009 . 0 0 "[ . 1 . 2 . ]" 5
341 2 54 THR HA 2 57 THR H 5.000 . 5.000 4.103 3.825 4.457 . 0 0 "[ . 1 . 2 . ]" 5
342 2 54 THR HA 2 57 THR HB 3.300 . 3.500 3.307 3.031 3.509 0.009 5 0 "[ . 1 . 2 . ]" 5
343 2 55 LEU H 2 55 LEU HG 5.000 . 5.000 4.412 4.294 4.513 . 0 0 "[ . 1 . 2 . ]" 5
344 2 55 LEU H 2 55 LEU MD2 4.800 . 5.000 3.124 2.894 3.327 . 0 0 "[ . 1 . 2 . ]" 5
345 2 55 LEU HA 2 55 LEU MD2 3.900 . 4.200 1.993 1.903 2.077 . 0 0 "[ . 1 . 2 . ]" 5
346 2 55 LEU H 2 56 LEU H 3.300 . 3.500 2.643 2.391 2.897 . 0 0 "[ . 1 . 2 . ]" 5
347 2 55 LEU HA 2 56 LEU H 5.000 . 5.000 3.587 3.568 3.594 . 0 0 "[ . 1 . 2 . ]" 5
348 2 55 LEU MD1 2 56 LEU HA 4.800 . 5.000 3.830 3.617 4.019 . 0 0 "[ . 1 . 2 . ]" 5
349 2 55 LEU HA 2 58 THR HB 3.300 . 3.500 2.648 2.366 3.019 . 0 0 "[ . 1 . 2 . ]" 5
350 2 55 LEU HA 2 58 THR H 5.000 . 5.000 3.526 3.223 3.815 . 0 0 "[ . 1 . 2 . ]" 5
351 2 56 LEU H 2 56 LEU QB 3.000 . 3.300 2.109 1.934 2.175 . 0 0 "[ . 1 . 2 . ]" 5
352 2 56 LEU H 2 56 LEU MD1 4.800 . 5.000 3.796 3.255 4.121 . 0 0 "[ . 1 . 2 . ]" 5
353 2 56 LEU HA 2 56 LEU HG 3.300 . 3.500 2.538 1.985 3.513 0.013 16 0 "[ . 1 . 2 . ]" 5
354 2 56 LEU HA 2 56 LEU MD1 3.900 . 4.200 2.513 1.928 3.319 . 0 0 "[ . 1 . 2 . ]" 5
355 2 56 LEU QB 2 57 THR H 3.900 . 4.100 2.393 2.062 2.600 . 0 0 "[ . 1 . 2 . ]" 5
356 2 56 LEU H 2 57 THR H 3.300 . 3.500 2.881 2.694 3.080 . 0 0 "[ . 1 . 2 . ]" 5
357 2 56 LEU HA 2 57 THR H 5.000 . 5.000 3.577 3.552 3.597 . 0 0 "[ . 1 . 2 . ]" 5
358 2 56 LEU HA 2 59 ALA MB 6.500 . 6.500 3.215 2.963 3.638 . 0 0 "[ . 1 . 2 . ]" 5
359 2 56 LEU HA 2 59 ALA H 5.000 . 5.000 4.174 3.902 4.413 . 0 0 "[ . 1 . 2 . ]" 5
360 2 57 THR H 2 57 THR HB 2.400 . 2.700 2.492 2.357 2.620 . 0 0 "[ . 1 . 2 . ]" 5
361 2 57 THR H 2 58 THR H 3.300 . 3.500 2.711 2.545 2.863 . 0 0 "[ . 1 . 2 . ]" 5
362 2 57 THR HB 2 58 THR H 3.300 . 3.500 2.439 2.148 2.768 . 0 0 "[ . 1 . 2 . ]" 5
363 2 57 THR HA 2 60 LEU H 5.000 . 5.000 3.719 3.598 3.828 . 0 0 "[ . 1 . 2 . ]" 5
364 2 57 THR HA 2 60 LEU HB3 3.300 . 3.500 2.387 2.221 2.585 . 0 0 "[ . 1 . 2 . ]" 5
365 2 57 THR HA 2 60 LEU HB2 3.300 . 3.500 3.489 3.329 3.535 0.035 26 0 "[ . 1 . 2 . ]" 5
366 2 58 THR H 2 58 THR HB 2.400 . 2.700 2.466 2.349 2.618 . 0 0 "[ . 1 . 2 . ]" 5
367 2 58 THR H 2 59 ALA H 3.300 . 3.500 3.027 2.898 3.117 . 0 0 "[ . 1 . 2 . ]" 5
368 2 58 THR HA 2 61 ARG H 3.300 . 3.500 3.525 3.486 3.541 0.041 11 0 "[ . 1 . 2 . ]" 5
369 2 58 THR HB 2 59 ALA H 3.300 . 3.500 2.038 1.943 2.173 . 0 0 "[ . 1 . 2 . ]" 5
370 2 58 THR HG1 2 59 ALA H 4.800 . 5.000 2.895 2.635 3.136 . 0 0 "[ . 1 . 2 . ]" 5
371 2 59 ALA H 2 59 ALA MB 2.400 . 2.700 2.040 1.916 2.157 . 0 0 "[ . 1 . 2 . ]" 5
372 2 59 ALA H 2 60 LEU H 3.300 . 3.500 2.836 2.749 2.880 . 0 0 "[ . 1 . 2 . ]" 5
373 2 59 ALA HA 2 60 LEU H 5.000 . 5.000 3.577 3.560 3.594 . 0 0 "[ . 1 . 2 . ]" 5
374 2 59 ALA HA 2 60 LEU QB 6.000 . 6.000 5.166 5.155 5.178 . 0 0 "[ . 1 . 2 . ]" 5
375 2 59 ALA HA 2 62 HIS H 3.300 . 3.500 3.501 3.465 3.524 0.024 18 0 "[ . 1 . 2 . ]" 5
376 2 59 ALA HA 2 62 HIS HB3 3.300 . 3.500 3.533 3.520 3.558 0.058 11 0 "[ . 1 . 2 . ]" 5
377 2 59 ALA HA 2 62 HIS HB2 3.300 . 3.500 3.528 3.517 3.544 0.044 23 0 "[ . 1 . 2 . ]" 5
378 2 59 ALA MB 2 60 LEU H 3.900 . 4.200 2.542 2.381 2.673 . 0 0 "[ . 1 . 2 . ]" 5
379 2 60 LEU HA 2 60 LEU HG 3.300 . 3.500 3.248 3.188 3.292 . 0 0 "[ . 1 . 2 . ]" 5
380 2 60 LEU H 2 60 LEU QB 3.300 . 3.500 2.184 2.174 2.195 . 0 0 "[ . 1 . 2 . ]" 5
381 2 60 LEU H 2 61 ARG H 3.300 . 3.500 2.714 2.665 2.770 . 0 0 "[ . 1 . 2 . ]" 5
382 2 60 LEU HA 2 63 THR H 3.300 . 3.500 3.155 3.091 3.225 . 0 0 "[ . 1 . 2 . ]" 5
383 2 60 LEU HG 2 61 ARG H 3.300 . 3.500 3.530 3.518 3.540 0.040 11 0 "[ . 1 . 2 . ]" 5
384 2 60 LEU HG 2 61 ARG HA 3.300 . 3.500 3.536 3.528 3.544 0.044 26 0 "[ . 1 . 2 . ]" 5
385 2 60 LEU MD1 2 61 ARG H 6.500 . 6.500 4.238 4.174 4.298 . 0 0 "[ . 1 . 2 . ]" 5
386 2 60 LEU MD2 2 61 ARG H 6.500 . 6.500 4.397 4.329 4.458 . 0 0 "[ . 1 . 2 . ]" 5
387 2 61 ARG H 2 62 HIS H 3.300 . 3.500 2.826 2.798 2.860 . 0 0 "[ . 1 . 2 . ]" 5
388 2 61 ARG HA 2 62 HIS H 5.000 . 5.000 3.561 3.551 3.572 . 0 0 "[ . 1 . 2 . ]" 5
389 2 61 ARG HA 2 64 GLN H 3.300 . 3.500 3.514 3.462 3.540 0.040 3 0 "[ . 1 . 2 . ]" 5
390 2 61 ARG HA 2 64 GLN QB 4.300 . 4.500 3.291 2.699 3.977 . 0 0 "[ . 1 . 2 . ]" 5
391 2 62 HIS H 2 62 HIS HB3 3.300 . 3.500 2.440 2.400 2.499 . 0 0 "[ . 1 . 2 . ]" 5
392 2 62 HIS H 2 62 HIS HB2 3.300 . 3.500 2.418 2.362 2.457 . 0 0 "[ . 1 . 2 . ]" 5
393 2 62 HIS H 2 62 HIS HD1 5.000 . 5.000 4.678 4.580 4.981 . 0 0 "[ . 1 . 2 . ]" 5
394 2 62 HIS HB3 2 63 THR H 5.000 . 5.000 2.728 2.647 2.790 . 0 0 "[ . 1 . 2 . ]" 5
395 2 62 HIS HB2 2 63 THR H 5.000 . 5.000 3.918 3.880 3.957 . 0 0 "[ . 1 . 2 . ]" 5
396 2 62 HIS QB 2 63 THR MG 5.800 . 6.000 2.642 2.438 2.738 . 0 0 "[ . 1 . 2 . ]" 5
397 2 62 HIS HD2 2 63 THR MG 4.800 . 5.000 2.827 2.061 3.720 . 0 0 "[ . 1 . 2 . ]" 5
398 2 63 THR HA 2 63 THR MG 3.000 . 3.300 2.398 2.353 2.460 . 0 0 "[ . 1 . 2 . ]" 5
399 2 63 THR H 2 64 GLN H 3.300 . 3.500 2.860 2.790 2.911 . 0 0 "[ . 1 . 2 . ]" 5
400 2 63 THR HA 2 64 GLN H 3.300 . 3.500 2.758 2.731 2.788 . 0 0 "[ . 1 . 2 . ]" 5
401 2 63 THR HA 2 66 HIS H 5.000 . 5.000 4.416 4.266 4.533 . 0 0 "[ . 1 . 2 . ]" 5
402 2 63 THR MG 2 64 GLN H 6.500 . 6.500 4.271 4.250 4.310 . 0 0 "[ . 1 . 2 . ]" 5
403 2 64 GLN H 2 64 GLN HA 2.400 . 2.700 2.727 2.712 2.737 0.037 28 0 "[ . 1 . 2 . ]" 5
404 2 64 GLN H 2 64 GLN QG 3.900 . 4.100 3.025 2.004 3.736 . 0 0 "[ . 1 . 2 . ]" 5
405 2 64 GLN HA 2 64 GLN QG 3.400 . 3.700 2.475 1.962 3.311 . 0 0 "[ . 1 . 2 . ]" 5
406 2 64 GLN HA 2 65 GLY H 3.300 . 3.500 2.196 2.187 2.206 . 0 0 "[ . 1 . 2 . ]" 5
407 2 64 GLN H 2 65 GLY H 5.000 . 5.000 4.556 4.496 4.612 . 0 0 "[ . 1 . 2 . ]" 5
408 2 64 GLN QG 2 65 GLY H 5.000 . 5.000 3.522 2.884 4.341 . 0 0 "[ . 1 . 2 . ]" 5
409 2 65 GLY H 2 66 HIS H 3.300 . 3.500 3.263 3.038 3.387 . 0 0 "[ . 1 . 2 . ]" 5
410 2 65 GLY QA 2 66 HIS H 4.300 . 4.500 2.685 2.638 2.787 . 0 0 "[ . 1 . 2 . ]" 5
411 2 65 GLY HA3 2 66 HIS H 5.000 . 5.000 2.776 2.716 2.915 . 0 0 "[ . 1 . 2 . ]" 5
412 2 65 GLY HA2 2 66 HIS H 5.000 . 5.000 3.574 3.545 3.584 . 0 0 "[ . 1 . 2 . ]" 5
413 2 66 HIS H 2 66 HIS HB3 3.300 . 3.500 3.363 2.994 3.531 0.031 12 0 "[ . 1 . 2 . ]" 5
414 2 66 HIS H 2 66 HIS HB2 3.300 . 3.500 2.120 1.959 2.481 . 0 0 "[ . 1 . 2 . ]" 5
415 2 66 HIS H 2 66 HIS HD1 5.000 . 5.000 3.954 2.344 4.898 . 0 0 "[ . 1 . 2 . ]" 5
416 2 67 LYS HA 2 68 GLN QB 6.000 . 6.000 5.150 5.086 5.360 . 0 0 "[ . 1 . 2 . ]" 5
417 2 67 LYS HA 2 70 ALA MB 3.900 . 4.200 2.876 2.449 3.079 . 0 0 "[ . 1 . 2 . ]" 5
418 2 67 LYS HA 2 70 ALA H 5.000 . 5.000 3.592 3.361 3.755 . 0 0 "[ . 1 . 2 . ]" 5
419 2 68 GLN H 2 69 GLU H 5.000 . 5.000 2.756 2.585 2.913 . 0 0 "[ . 1 . 2 . ]" 5
420 2 68 GLN HA 2 69 GLU H 5.000 . 5.000 3.578 3.554 3.592 . 0 0 "[ . 1 . 2 . ]" 5
421 2 68 GLN HA 2 71 ALA MB 3.900 . 4.200 3.170 3.048 3.308 . 0 0 "[ . 1 . 2 . ]" 5
422 2 68 GLN HA 2 71 ALA H 5.000 . 5.000 3.611 3.544 3.681 . 0 0 "[ . 1 . 2 . ]" 5
423 2 69 GLU H 2 70 ALA H 3.300 . 3.500 2.814 2.701 2.894 . 0 0 "[ . 1 . 2 . ]" 5
424 2 69 GLU HA 2 70 ALA H 5.000 . 5.000 3.558 3.541 3.574 . 0 0 "[ . 1 . 2 . ]" 5
425 2 69 GLU H 2 71 ALA H 5.000 . 5.000 4.169 4.125 4.207 . 0 0 "[ . 1 . 2 . ]" 5
426 2 69 GLU HA 2 72 ARG H 5.000 . 5.000 3.897 3.812 3.985 . 0 0 "[ . 1 . 2 . ]" 5
427 2 69 GLU HA 2 72 ARG QB 4.300 . 4.500 4.025 3.785 4.104 . 0 0 "[ . 1 . 2 . ]" 5
428 2 70 ALA H 2 71 ALA H 3.300 . 3.500 2.750 2.706 2.808 . 0 0 "[ . 1 . 2 . ]" 5
429 2 70 ALA HA 2 73 LEU H 3.300 . 3.500 3.424 3.320 3.509 0.009 10 0 "[ . 1 . 2 . ]" 5
430 2 70 ALA HA 2 73 LEU HB3 5.000 . 5.000 3.041 2.477 3.365 . 0 0 "[ . 1 . 2 . ]" 5
431 2 70 ALA HA 2 73 LEU HB2 5.000 . 5.000 1.994 1.940 2.229 . 0 0 "[ . 1 . 2 . ]" 5
432 2 70 ALA HA 2 74 LEU MD1 3.900 . 4.200 3.189 3.111 3.348 . 0 0 "[ . 1 . 2 . ]" 5
433 2 71 ALA H 2 72 ARG H 3.300 . 3.500 3.098 3.007 3.207 . 0 0 "[ . 1 . 2 . ]" 5
434 2 71 ALA HA 2 72 ARG H 5.000 . 5.000 3.582 3.569 3.591 . 0 0 "[ . 1 . 2 . ]" 5
435 2 71 ALA MB 2 72 ARG H 6.500 . 6.500 1.927 1.889 2.008 . 0 0 "[ . 1 . 2 . ]" 5
436 2 71 ALA HA 2 74 LEU QB 6.000 . 6.000 3.702 3.539 3.997 . 0 0 "[ . 1 . 2 . ]" 5
437 2 71 ALA HA 2 74 LEU H 5.000 . 5.000 3.869 3.705 4.022 . 0 0 "[ . 1 . 2 . ]" 5
438 2 72 ARG H 2 73 LEU H 5.000 . 5.000 2.707 2.577 2.804 . 0 0 "[ . 1 . 2 . ]" 5
439 2 72 ARG HA 2 73 LEU H 5.000 . 5.000 3.544 3.505 3.573 . 0 0 "[ . 1 . 2 . ]" 5
440 2 72 ARG HA 2 75 GLY H 3.300 . 3.500 3.178 2.857 3.489 . 0 0 "[ . 1 . 2 . ]" 5
441 2 72 ARG HA 2 76 TRP H 3.300 . 3.500 3.441 3.230 3.516 0.016 19 0 "[ . 1 . 2 . ]" 5
442 2 73 LEU H 2 73 LEU MD1 4.800 . 5.000 3.166 2.083 4.060 . 0 0 "[ . 1 . 2 . ]" 5
443 2 73 LEU H 2 73 LEU MD2 4.800 . 5.000 4.033 2.210 4.254 . 0 0 "[ . 1 . 2 . ]" 5
444 2 73 LEU H 2 74 LEU H 5.000 . 5.000 2.728 2.629 2.829 . 0 0 "[ . 1 . 2 . ]" 5
445 2 73 LEU HA 2 73 LEU MD2 3.900 . 4.200 2.560 1.911 3.583 . 0 0 "[ . 1 . 2 . ]" 5
446 2 73 LEU HB3 2 74 LEU H 3.300 . 3.500 3.374 2.624 3.519 0.019 19 0 "[ . 1 . 2 . ]" 5
447 2 73 LEU HB2 2 74 LEU H 3.300 . 3.500 3.099 2.817 3.479 . 0 0 "[ . 1 . 2 . ]" 5
448 2 73 LEU QD 2 74 LEU H 7.900 . 7.900 4.142 3.653 4.286 . 0 0 "[ . 1 . 2 . ]" 5
449 2 73 LEU H 2 75 GLY H 5.000 . 5.000 4.083 3.967 4.412 . 0 0 "[ . 1 . 2 . ]" 5
450 2 74 LEU H 2 74 LEU MD1 4.800 . 5.000 3.253 2.857 3.569 . 0 0 "[ . 1 . 2 . ]" 5
451 2 74 LEU HA 2 74 LEU MD2 3.900 . 4.200 2.505 1.977 2.823 . 0 0 "[ . 1 . 2 . ]" 5
452 2 74 LEU H 2 75 GLY H 3.300 . 3.500 2.405 2.105 2.657 . 0 0 "[ . 1 . 2 . ]" 5
453 2 74 LEU HA 2 75 GLY H 3.300 . 3.500 3.171 2.987 3.332 . 0 0 "[ . 1 . 2 . ]" 5
454 2 74 LEU H 2 76 TRP H 5.000 . 5.000 3.314 2.855 3.628 . 0 0 "[ . 1 . 2 . ]" 5
455 2 75 GLY H 2 76 TRP H 3.300 . 3.500 2.762 2.603 2.850 . 0 0 "[ . 1 . 2 . ]" 5
456 2 75 GLY HA3 2 76 TRP H 3.300 . 3.500 3.531 3.466 3.557 0.057 5 0 "[ . 1 . 2 . ]" 5
457 2 75 GLY HA2 2 76 TRP H 3.300 . 3.500 2.860 2.751 3.070 . 0 0 "[ . 1 . 2 . ]" 5
458 2 76 TRP H 2 76 TRP HD1 3.300 . 3.500 3.307 3.119 3.451 . 0 0 "[ . 1 . 2 . ]" 5
459 2 76 TRP HA 2 76 TRP HD1 2.400 . 2.700 2.234 2.163 2.321 . 0 0 "[ . 1 . 2 . ]" 5
460 2 76 TRP HA 2 76 TRP HE1 5.000 . 5.000 4.460 4.398 4.566 . 0 0 "[ . 1 . 2 . ]" 5
461 2 76 TRP H 2 77 GLY H 5.000 . 5.000 2.980 2.472 4.507 . 0 0 "[ . 1 . 2 . ]" 5
462 2 76 TRP HA 2 77 GLY H 5.000 . 5.000 3.404 2.581 3.587 . 0 0 "[ . 1 . 2 . ]" 5
463 2 76 TRP HB3 2 77 GLY H 5.000 . 5.000 2.397 1.936 2.728 . 0 0 "[ . 1 . 2 . ]" 5
464 2 76 TRP HB2 2 77 GLY H 5.000 . 5.000 2.462 2.186 3.561 . 0 0 "[ . 1 . 2 . ]" 5
465 2 76 TRP HE3 2 77 GLY H 5.000 . 5.000 4.708 4.468 4.995 . 0 0 "[ . 1 . 2 . ]" 5
466 2 77 GLY H 2 78 ALA H 5.000 . 5.000 4.447 4.235 4.524 . 0 0 "[ . 1 . 2 . ]" 5
467 2 77 GLY HA3 2 78 ALA H 3.300 . 3.500 2.485 2.365 2.599 . 0 0 "[ . 1 . 2 . ]" 5
468 2 77 GLY HA2 2 78 ALA H 3.300 . 3.500 2.780 2.660 2.918 . 0 0 "[ . 1 . 2 . ]" 5
469 2 78 ALA HA 2 81 LEU HB3 3.300 . 3.500 3.554 3.532 3.575 0.075 20 0 "[ . 1 . 2 . ]" 5
470 2 78 ALA HA 2 81 LEU HB2 3.300 . 3.500 2.946 2.755 3.257 . 0 0 "[ . 1 . 2 . ]" 5
471 2 78 ALA H 2 79 ALA HA 5.000 . 5.000 5.020 4.988 5.050 0.050 16 0 "[ . 1 . 2 . ]" 5
472 2 78 ALA H 2 79 ALA MB 4.800 . 5.000 3.874 3.799 3.925 . 0 0 "[ . 1 . 2 . ]" 5
473 2 79 ALA HA 2 82 THR H 5.000 . 5.000 3.749 3.564 3.932 . 0 0 "[ . 1 . 2 . ]" 5
474 2 79 ALA HA 2 82 THR MG 4.800 . 5.000 4.101 4.026 4.149 . 0 0 "[ . 1 . 2 . ]" 5
475 2 80 THR H 2 80 THR HB 3.300 . 3.500 2.445 2.347 2.602 . 0 0 "[ . 1 . 2 . ]" 5
476 2 80 THR H 2 81 LEU H 3.300 . 3.500 2.732 2.611 2.879 . 0 0 "[ . 1 . 2 . ]" 5
477 2 80 THR HA 2 83 ALA H 3.300 . 3.500 3.441 3.233 3.533 0.033 16 0 "[ . 1 . 2 . ]" 5
478 2 80 THR HB 2 81 LEU H 3.300 . 3.500 2.226 2.139 2.320 . 0 0 "[ . 1 . 2 . ]" 5
479 2 80 THR MG 2 81 LEU H 6.500 . 6.500 3.261 3.028 3.485 . 0 0 "[ . 1 . 2 . ]" 5
480 2 80 THR MG 2 81 LEU HA 6.500 . 6.500 3.613 3.336 3.902 . 0 0 "[ . 1 . 2 . ]" 5
481 2 80 THR MG 2 81 LEU MD1 7.500 . 7.500 4.893 4.646 5.084 . 0 0 "[ . 1 . 2 . ]" 5
482 2 80 THR HA 2 83 ALA MB 3.900 . 4.200 2.484 2.281 2.749 . 0 0 "[ . 1 . 2 . ]" 5
483 2 81 LEU H 2 81 LEU HG 3.300 . 3.500 3.510 3.419 3.546 0.046 20 0 "[ . 1 . 2 . ]" 5
484 2 81 LEU HA 2 81 LEU HG 2.400 . 2.700 2.086 2.025 2.178 . 0 0 "[ . 1 . 2 . ]" 5
485 2 81 LEU QB 2 82 THR H 4.300 . 4.500 2.832 2.750 2.931 . 0 0 "[ . 1 . 2 . ]" 5
486 2 81 LEU H 2 82 THR H 5.000 . 5.000 2.791 2.717 2.838 . 0 0 "[ . 1 . 2 . ]" 5
487 2 81 LEU MD1 2 82 THR H 6.500 . 6.500 4.854 4.795 4.954 . 0 0 "[ . 1 . 2 . ]" 5
488 2 81 LEU MD2 2 82 THR H 6.500 . 6.500 4.396 4.153 4.553 . 0 0 "[ . 1 . 2 . ]" 5
489 2 81 LEU HA 2 84 LYS H 5.000 . 5.000 4.109 3.972 4.277 . 0 0 "[ . 1 . 2 . ]" 5
490 2 82 THR H 2 82 THR HB 2.400 . 2.700 2.338 2.292 2.449 . 0 0 "[ . 1 . 2 . ]" 5
491 2 82 THR H 2 83 ALA H 2.400 . 2.700 2.458 2.380 2.527 . 0 0 "[ . 1 . 2 . ]" 5
492 2 82 THR HA 2 83 ALA MB 6.500 . 6.500 4.988 4.959 4.998 . 0 0 "[ . 1 . 2 . ]" 5
493 2 82 THR HB 2 83 ALA H 3.300 . 3.500 2.319 2.192 2.438 . 0 0 "[ . 1 . 2 . ]" 5
494 2 82 THR MG 2 83 ALA H 6.500 . 6.500 3.197 3.068 3.412 . 0 0 "[ . 1 . 2 . ]" 5
495 2 82 THR H 2 84 LYS H 5.000 . 5.000 3.696 3.551 3.813 . 0 0 "[ . 1 . 2 . ]" 5
496 2 82 THR HA 2 85 LEU H 3.300 . 3.500 3.515 3.485 3.541 0.041 16 0 "[ . 1 . 2 . ]" 5
497 2 82 THR HA 2 85 LEU HB3 3.300 . 3.500 3.394 3.214 3.510 0.010 23 0 "[ . 1 . 2 . ]" 5
498 2 82 THR HA 2 85 LEU HB2 3.300 . 3.500 2.956 2.658 3.235 . 0 0 "[ . 1 . 2 . ]" 5
499 2 83 ALA H 2 84 LYS H 2.400 . 2.700 2.687 2.618 2.720 0.020 18 0 "[ . 1 . 2 . ]" 5
500 2 83 ALA HA 2 84 LYS H 5.000 . 5.000 3.547 3.472 3.565 . 0 0 "[ . 1 . 2 . ]" 5
501 2 83 ALA MB 2 84 LYS H 4.800 . 5.000 2.573 2.437 2.919 . 0 0 "[ . 1 . 2 . ]" 5
502 2 83 ALA MB 2 84 LYS HA 4.800 . 5.000 3.871 3.781 3.916 . 0 0 "[ . 1 . 2 . ]" 5
503 2 83 ALA HA 2 86 LYS QB 4.300 . 4.500 3.633 3.281 3.984 . 0 0 "[ . 1 . 2 . ]" 5
504 2 83 ALA HA 2 86 LYS H 5.000 . 5.000 3.708 3.501 3.942 . 0 0 "[ . 1 . 2 . ]" 5
505 2 84 LYS HA 2 87 GLU QB 4.300 . 4.500 2.088 1.914 2.403 . 0 0 "[ . 1 . 2 . ]" 5
506 2 84 LYS HA 2 87 GLU H 3.300 . 3.500 3.306 3.058 3.494 . 0 0 "[ . 1 . 2 . ]" 5
507 2 85 LEU H 2 86 LYS H 3.300 . 3.500 2.719 2.594 2.896 . 0 0 "[ . 1 . 2 . ]" 5
508 2 85 LEU HA 2 86 LYS H 5.000 . 5.000 3.575 3.549 3.593 . 0 0 "[ . 1 . 2 . ]" 5
509 2 85 LEU QB 2 86 LYS H 4.300 . 4.500 2.400 2.144 2.604 . 0 0 "[ . 1 . 2 . ]" 5
510 2 86 LYS H 2 87 GLU H 3.300 . 3.500 2.347 2.291 2.497 . 0 0 "[ . 1 . 2 . ]" 5
511 2 86 LYS HA 2 87 GLU H 5.000 . 5.000 3.512 3.460 3.581 . 0 0 "[ . 1 . 2 . ]" 5
512 2 86 LYS H 2 88 LEU H 5.000 . 5.000 4.450 3.925 4.859 . 0 0 "[ . 1 . 2 . ]" 5
513 2 86 LYS HA 2 89 GLY H 3.300 . 3.500 3.383 3.156 3.519 0.019 21 0 "[ . 1 . 2 . ]" 5
514 2 87 GLU HA 2 88 LEU H 5.000 . 5.000 3.579 3.532 3.596 . 0 0 "[ . 1 . 2 . ]" 5
515 2 87 GLU HA 2 90 MET H 3.300 . 3.500 3.406 3.211 3.510 0.010 11 0 "[ . 1 . 2 . ]" 5
516 2 88 LEU H 2 88 LEU HB3 3.300 . 3.500 3.490 3.369 3.523 0.023 28 0 "[ . 1 . 2 . ]" 5
517 2 88 LEU H 2 88 LEU HB2 3.300 . 3.500 2.206 1.995 2.422 . 0 0 "[ . 1 . 2 . ]" 5
518 2 88 LEU H 2 88 LEU MD1 4.800 . 5.000 3.336 3.006 3.788 . 0 0 "[ . 1 . 2 . ]" 5
519 2 88 LEU H 2 88 LEU MD2 4.800 . 5.000 3.723 3.433 3.924 . 0 0 "[ . 1 . 2 . ]" 5
520 2 88 LEU H 2 88 LEU HG 3.300 . 3.500 2.426 1.940 3.019 . 0 0 "[ . 1 . 2 . ]" 5
521 2 88 LEU HA 2 88 LEU HG 3.300 . 3.500 2.635 2.490 2.868 . 0 0 "[ . 1 . 2 . ]" 5
522 2 88 LEU HA 2 88 LEU MD2 3.900 . 4.200 2.138 1.912 2.390 . 0 0 "[ . 1 . 2 . ]" 5
523 2 88 LEU H 2 89 GLY H 3.300 . 3.500 2.704 2.502 2.821 . 0 0 "[ . 1 . 2 . ]" 5
524 2 88 LEU HA 2 89 GLY H 5.000 . 5.000 3.513 3.460 3.567 . 0 0 "[ . 1 . 2 . ]" 5
525 2 88 LEU HB3 2 89 GLY H 5.000 . 5.000 3.662 3.199 3.910 . 0 0 "[ . 1 . 2 . ]" 5
526 2 88 LEU HB2 2 89 GLY H 5.000 . 5.000 2.919 2.625 3.167 . 0 0 "[ . 1 . 2 . ]" 5
527 2 88 LEU HG 2 89 GLY H 5.000 . 5.000 4.600 4.307 4.875 . 0 0 "[ . 1 . 2 . ]" 5
528 2 89 GLY H 2 90 MET H 3.300 . 3.500 2.434 2.066 2.733 . 0 0 "[ . 1 . 2 . ]" 5
529 2 89 GLY HA3 2 90 MET H 5.000 . 5.000 3.067 2.780 3.545 . 0 0 "[ . 1 . 2 . ]" 5
530 2 89 GLY HA2 2 90 MET H 5.000 . 5.000 3.404 2.872 3.573 . 0 0 "[ . 1 . 2 . ]" 5
531 2 90 MET H 2 90 MET HB3 3.300 . 3.500 3.036 2.354 3.520 0.020 2 0 "[ . 1 . 2 . ]" 5
532 2 90 MET H 2 90 MET HB2 3.300 . 3.500 2.382 1.956 3.115 . 0 0 "[ . 1 . 2 . ]" 5
533 2 90 MET H 2 91 GLU H 2.400 . 2.700 2.505 2.121 2.741 0.041 24 0 "[ . 1 . 2 . ]" 5
534 2 90 MET HA 2 91 GLU H 3.300 . 3.500 3.427 2.998 3.573 0.073 14 0 "[ . 1 . 2 . ]" 5
535 2 91 GLU H 2 91 GLU HB3 3.300 . 3.500 3.050 2.498 3.509 0.009 15 0 "[ . 1 . 2 . ]" 5
536 2 91 GLU H 2 91 GLU HB2 3.300 . 3.500 2.747 1.951 3.448 . 0 0 "[ . 1 . 2 . ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 208
_Distance_constraint_stats_list.Viol_total 151.159
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0260
_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 24 TRP 2.497 0.176 26 0 "[ . 1 . 2 . ]"
1 25 ALA 0.781 0.046 20 0 "[ . 1 . 2 . ]"
1 26 THR 0.423 0.033 16 0 "[ . 1 . 2 . ]"
1 27 LEU 0.036 0.036 28 0 "[ . 1 . 2 . ]"
1 28 LEU 2.596 0.176 26 0 "[ . 1 . 2 . ]"
1 29 ALA 0.781 0.046 20 0 "[ . 1 . 2 . ]"
1 30 GLN 0.524 0.033 16 0 "[ . 1 . 2 . ]"
1 31 TRP 0.050 0.036 28 0 "[ . 1 . 2 . ]"
1 32 ALA 0.189 0.034 21 0 "[ . 1 . 2 . ]"
1 33 ASP 0.113 0.038 7 0 "[ . 1 . 2 . ]"
1 34 ARG 0.100 0.028 12 0 "[ . 1 . 2 . ]"
1 35 ALA 0.014 0.014 27 0 "[ . 1 . 2 . ]"
1 36 LEU 0.090 0.016 21 0 "[ . 1 . 2 . ]"
1 37 ARG 0.113 0.038 7 0 "[ . 1 . 2 . ]"
1 44 LEU 0.032 0.020 23 0 "[ . 1 . 2 . ]"
1 47 ALA 0.004 0.004 20 0 "[ . 1 . 2 . ]"
1 48 GLN 0.546 0.035 17 0 "[ . 1 . 2 . ]"
1 49 PRO 0.054 0.016 7 0 "[ . 1 . 2 . ]"
1 50 GLU 0.145 0.032 2 0 "[ . 1 . 2 . ]"
1 51 LEU 0.004 0.004 20 0 "[ . 1 . 2 . ]"
1 52 GLU 0.619 0.035 17 0 "[ . 1 . 2 . ]"
1 53 ARG 0.102 0.016 7 0 "[ . 1 . 2 . ]"
1 54 THR 0.145 0.032 2 0 "[ . 1 . 2 . ]"
1 55 LEU 0.022 0.022 24 0 "[ . 1 . 2 . ]"
1 56 LEU 0.170 0.019 11 0 "[ . 1 . 2 . ]"
1 57 THR 0.109 0.024 19 0 "[ . 1 . 2 . ]"
1 59 ALA 0.022 0.022 24 0 "[ . 1 . 2 . ]"
1 60 LEU 0.064 0.019 11 0 "[ . 1 . 2 . ]"
1 61 ARG 0.061 0.024 19 0 "[ . 1 . 2 . ]"
1 71 ALA 0.167 0.040 4 0 "[ . 1 . 2 . ]"
1 72 ARG 0.025 0.025 23 0 "[ . 1 . 2 . ]"
1 75 GLY 0.025 0.025 23 0 "[ . 1 . 2 . ]"
1 76 TRP 0.167 0.040 4 0 "[ . 1 . 2 . ]"
1 82 THR 0.003 0.003 14 0 "[ . 1 . 2 . ]"
1 85 LEU 0.003 0.003 14 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 TRP O 1 28 LEU H 2.100 . 2.300 1.907 1.842 2.034 . 0 0 "[ . 1 . 2 . ]" 6
2 1 24 TRP O 1 28 LEU N 3.100 2.800 3.300 2.713 2.624 2.858 0.176 26 0 "[ . 1 . 2 . ]" 6
3 1 25 ALA O 1 29 ALA H 2.100 . 2.300 1.852 1.788 2.070 0.012 21 0 "[ . 1 . 2 . ]" 6
4 1 25 ALA O 1 29 ALA N 3.100 2.800 3.300 2.780 2.754 2.972 0.046 20 0 "[ . 1 . 2 . ]" 6
5 1 26 THR O 1 30 GLN H 2.100 . 2.300 2.294 2.027 2.333 0.033 16 0 "[ . 1 . 2 . ]" 6
6 1 26 THR O 1 30 GLN N 3.100 2.800 3.300 3.212 2.888 3.309 0.009 28 0 "[ . 1 . 2 . ]" 6
7 1 27 LEU O 1 31 TRP H 2.100 . 2.300 2.108 1.932 2.283 . 0 0 "[ . 1 . 2 . ]" 6
8 1 27 LEU O 1 31 TRP N 3.100 2.800 3.300 2.942 2.764 3.096 0.036 28 0 "[ . 1 . 2 . ]" 6
9 1 28 LEU O 1 32 ALA H 2.100 . 2.300 2.119 1.918 2.334 0.034 21 0 "[ . 1 . 2 . ]" 6
10 1 28 LEU O 1 32 ALA N 3.100 2.800 3.300 3.051 2.862 3.303 0.003 21 0 "[ . 1 . 2 . ]" 6
11 1 30 GLN O 1 34 ARG H 2.100 . 2.300 1.920 1.815 2.178 . 0 0 "[ . 1 . 2 . ]" 6
12 1 30 GLN O 1 34 ARG N 3.100 2.800 3.300 2.878 2.772 3.156 0.028 12 0 "[ . 1 . 2 . ]" 6
13 1 31 TRP O 1 35 ALA H 2.100 . 2.300 2.047 1.824 2.257 . 0 0 "[ . 1 . 2 . ]" 6
14 1 31 TRP O 1 35 ALA N 3.100 2.800 3.300 2.983 2.786 3.192 0.014 27 0 "[ . 1 . 2 . ]" 6
15 1 32 ALA O 1 36 LEU H 2.100 . 2.300 2.264 2.080 2.316 0.016 21 0 "[ . 1 . 2 . ]" 6
16 1 32 ALA O 1 36 LEU N 3.100 2.800 3.300 3.103 2.920 3.220 . 0 0 "[ . 1 . 2 . ]" 6
17 1 33 ASP O 1 37 ARG H 2.100 . 2.300 2.231 1.850 2.338 0.038 7 0 "[ . 1 . 2 . ]" 6
18 1 33 ASP O 1 37 ARG N 3.100 2.800 3.300 3.138 2.786 3.266 0.014 27 0 "[ . 1 . 2 . ]" 6
19 1 44 LEU O 1 48 GLN H 2.100 . 2.300 2.144 1.916 2.298 . 0 0 "[ . 1 . 2 . ]" 6
20 1 44 LEU O 1 48 GLN N 3.100 2.800 3.300 2.906 2.780 3.052 0.020 23 0 "[ . 1 . 2 . ]" 6
21 1 47 ALA O 1 51 LEU H 2.100 . 2.300 2.186 2.028 2.304 0.004 20 0 "[ . 1 . 2 . ]" 6
22 1 47 ALA O 1 51 LEU N 3.100 2.800 3.300 3.129 3.003 3.252 . 0 0 "[ . 1 . 2 . ]" 6
23 1 48 GLN O 1 52 GLU H 2.100 . 2.300 2.311 2.243 2.335 0.035 17 0 "[ . 1 . 2 . ]" 6
24 1 48 GLN O 1 52 GLU N 3.100 2.800 3.300 3.274 3.186 3.309 0.009 17 0 "[ . 1 . 2 . ]" 6
25 1 49 PRO O 1 53 ARG H 2.100 . 2.300 2.008 1.851 2.295 . 0 0 "[ . 1 . 2 . ]" 6
26 1 49 PRO O 1 53 ARG N 3.100 2.800 3.300 2.847 2.784 3.148 0.016 7 0 "[ . 1 . 2 . ]" 6
27 1 50 GLU O 1 54 THR H 2.100 . 2.300 2.222 1.929 2.332 0.032 2 0 "[ . 1 . 2 . ]" 6
28 1 50 GLU O 1 54 THR N 3.100 2.800 3.300 3.182 2.908 3.302 0.002 2 0 "[ . 1 . 2 . ]" 6
29 1 52 GLU O 1 56 LEU H 2.100 . 2.300 1.976 1.819 2.249 . 0 0 "[ . 1 . 2 . ]" 6
30 1 52 GLU O 1 56 LEU N 3.100 2.800 3.300 2.881 2.781 3.137 0.019 23 0 "[ . 1 . 2 . ]" 6
31 1 53 ARG O 1 57 THR H 2.100 . 2.300 1.932 1.818 2.266 . 0 0 "[ . 1 . 2 . ]" 6
32 1 53 ARG O 1 57 THR N 3.100 2.800 3.300 2.884 2.786 3.180 0.014 21 0 "[ . 1 . 2 . ]" 6
33 1 55 LEU O 1 59 ALA H 2.100 . 2.300 2.047 1.860 2.231 . 0 0 "[ . 1 . 2 . ]" 6
34 1 55 LEU O 1 59 ALA N 3.100 2.800 3.300 2.952 2.778 3.165 0.022 24 0 "[ . 1 . 2 . ]" 6
35 1 56 LEU O 1 60 LEU H 2.100 . 2.300 2.026 1.858 2.244 . 0 0 "[ . 1 . 2 . ]" 6
36 1 56 LEU O 1 60 LEU N 3.100 2.800 3.300 2.902 2.781 3.083 0.019 11 0 "[ . 1 . 2 . ]" 6
37 1 57 THR O 1 61 ARG H 2.100 . 2.300 1.989 1.909 2.184 . 0 0 "[ . 1 . 2 . ]" 6
38 1 57 THR O 1 61 ARG N 3.100 2.800 3.300 2.853 2.776 3.054 0.024 19 0 "[ . 1 . 2 . ]" 6
39 1 72 ARG O 1 75 GLY H 2.100 . 2.300 2.047 1.839 2.325 0.025 23 0 "[ . 1 . 2 . ]" 6
40 1 72 ARG O 1 75 GLY N 3.100 2.800 3.300 3.000 2.801 3.288 . 0 0 "[ . 1 . 2 . ]" 6
41 1 71 ALA O 1 76 TRP H 2.100 . 2.300 1.893 1.823 2.015 . 0 0 "[ . 1 . 2 . ]" 6
42 1 71 ALA O 1 76 TRP N 3.100 2.800 3.300 2.852 2.760 2.993 0.040 4 0 "[ . 1 . 2 . ]" 6
43 1 82 THR O 1 85 LEU H 2.100 . 2.300 2.243 2.095 2.303 0.003 14 0 "[ . 1 . 2 . ]" 6
44 1 82 THR O 1 85 LEU N 3.100 2.800 3.300 3.009 2.907 3.114 . 0 0 "[ . 1 . 2 . ]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 215
_Distance_constraint_stats_list.Viol_total 151.902
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0252
_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
2 24 TRP 2.509 0.172 26 0 "[ . 1 . 2 . ]"
2 25 ALA 0.804 0.046 23 0 "[ . 1 . 2 . ]"
2 26 THR 0.424 0.036 16 0 "[ . 1 . 2 . ]"
2 27 LEU 0.036 0.034 28 0 "[ . 1 . 2 . ]"
2 28 LEU 2.607 0.172 26 0 "[ . 1 . 2 . ]"
2 29 ALA 0.804 0.046 23 0 "[ . 1 . 2 . ]"
2 30 GLN 0.531 0.036 16 0 "[ . 1 . 2 . ]"
2 31 TRP 0.051 0.034 28 0 "[ . 1 . 2 . ]"
2 32 ALA 0.186 0.038 21 0 "[ . 1 . 2 . ]"
2 33 ASP 0.108 0.040 7 0 "[ . 1 . 2 . ]"
2 34 ARG 0.106 0.030 12 0 "[ . 1 . 2 . ]"
2 35 ALA 0.014 0.014 27 0 "[ . 1 . 2 . ]"
2 36 LEU 0.088 0.018 17 0 "[ . 1 . 2 . ]"
2 37 ARG 0.108 0.040 7 0 "[ . 1 . 2 . ]"
2 44 LEU 0.032 0.021 23 0 "[ . 1 . 2 . ]"
2 47 ALA 0.006 0.006 20 0 "[ . 1 . 2 . ]"
2 48 GLN 0.549 0.036 5 0 "[ . 1 . 2 . ]"
2 49 PRO 0.054 0.019 7 0 "[ . 1 . 2 . ]"
2 50 GLU 0.143 0.032 2 0 "[ . 1 . 2 . ]"
2 51 LEU 0.006 0.006 20 0 "[ . 1 . 2 . ]"
2 52 GLU 0.614 0.036 5 0 "[ . 1 . 2 . ]"
2 53 ARG 0.105 0.019 7 0 "[ . 1 . 2 . ]"
2 54 THR 0.143 0.032 2 0 "[ . 1 . 2 . ]"
2 55 LEU 0.023 0.023 24 0 "[ . 1 . 2 . ]"
2 56 LEU 0.150 0.017 24 0 "[ . 1 . 2 . ]"
2 57 THR 0.111 0.022 19 0 "[ . 1 . 2 . ]"
2 59 ALA 0.023 0.023 24 0 "[ . 1 . 2 . ]"
2 60 LEU 0.053 0.017 24 0 "[ . 1 . 2 . ]"
2 61 ARG 0.061 0.022 19 0 "[ . 1 . 2 . ]"
2 71 ALA 0.171 0.043 4 0 "[ . 1 . 2 . ]"
2 72 ARG 0.027 0.023 23 0 "[ . 1 . 2 . ]"
2 75 GLY 0.027 0.023 23 0 "[ . 1 . 2 . ]"
2 76 TRP 0.171 0.043 4 0 "[ . 1 . 2 . ]"
2 82 THR 0.003 0.001 3 0 "[ . 1 . 2 . ]"
2 85 LEU 0.003 0.001 3 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 24 TRP O 2 28 LEU H 2.100 . 2.300 1.907 1.845 2.034 . 0 0 "[ . 1 . 2 . ]" 7
2 2 24 TRP O 2 28 LEU N 3.100 2.800 3.300 2.712 2.628 2.857 0.172 26 0 "[ . 1 . 2 . ]" 7
3 2 25 ALA O 2 29 ALA H 2.100 . 2.300 1.851 1.787 2.072 0.013 21 0 "[ . 1 . 2 . ]" 7
4 2 25 ALA O 2 29 ALA N 3.100 2.800 3.300 2.779 2.754 2.973 0.046 23 0 "[ . 1 . 2 . ]" 7
5 2 26 THR O 2 30 GLN H 2.100 . 2.300 2.294 2.024 2.336 0.036 16 0 "[ . 1 . 2 . ]" 7
6 2 26 THR O 2 30 GLN N 3.100 2.800 3.300 3.212 2.888 3.308 0.008 28 0 "[ . 1 . 2 . ]" 7
7 2 27 LEU O 2 31 TRP H 2.100 . 2.300 2.109 1.936 2.288 . 0 0 "[ . 1 . 2 . ]" 7
8 2 27 LEU O 2 31 TRP N 3.100 2.800 3.300 2.943 2.766 3.102 0.034 28 0 "[ . 1 . 2 . ]" 7
9 2 28 LEU O 2 32 ALA H 2.100 . 2.300 2.118 1.922 2.338 0.038 21 0 "[ . 1 . 2 . ]" 7
10 2 28 LEU O 2 32 ALA N 3.100 2.800 3.300 3.051 2.857 3.304 0.004 21 0 "[ . 1 . 2 . ]" 7
11 2 30 GLN O 2 34 ARG H 2.100 . 2.300 1.919 1.816 2.182 . 0 0 "[ . 1 . 2 . ]" 7
12 2 30 GLN O 2 34 ARG N 3.100 2.800 3.300 2.878 2.770 3.160 0.030 12 0 "[ . 1 . 2 . ]" 7
13 2 31 TRP O 2 35 ALA H 2.100 . 2.300 2.046 1.823 2.254 . 0 0 "[ . 1 . 2 . ]" 7
14 2 31 TRP O 2 35 ALA N 3.100 2.800 3.300 2.982 2.786 3.189 0.014 27 0 "[ . 1 . 2 . ]" 7
15 2 32 ALA O 2 36 LEU H 2.100 . 2.300 2.266 2.083 2.318 0.018 17 0 "[ . 1 . 2 . ]" 7
16 2 32 ALA O 2 36 LEU N 3.100 2.800 3.300 3.105 2.925 3.219 . 0 0 "[ . 1 . 2 . ]" 7
17 2 33 ASP O 2 37 ARG H 2.100 . 2.300 2.231 1.849 2.340 0.040 7 0 "[ . 1 . 2 . ]" 7
18 2 33 ASP O 2 37 ARG N 3.100 2.800 3.300 3.138 2.785 3.268 0.015 27 0 "[ . 1 . 2 . ]" 7
19 2 44 LEU O 2 48 GLN H 2.100 . 2.300 2.145 1.916 2.296 . 0 0 "[ . 1 . 2 . ]" 7
20 2 44 LEU O 2 48 GLN N 3.100 2.800 3.300 2.906 2.779 3.051 0.021 23 0 "[ . 1 . 2 . ]" 7
21 2 47 ALA O 2 51 LEU H 2.100 . 2.300 2.186 2.028 2.306 0.006 20 0 "[ . 1 . 2 . ]" 7
22 2 47 ALA O 2 51 LEU N 3.100 2.800 3.300 3.130 3.003 3.257 . 0 0 "[ . 1 . 2 . ]" 7
23 2 48 GLN O 2 52 GLU H 2.100 . 2.300 2.312 2.245 2.336 0.036 5 0 "[ . 1 . 2 . ]" 7
24 2 48 GLN O 2 52 GLU N 3.100 2.800 3.300 3.274 3.186 3.307 0.007 17 0 "[ . 1 . 2 . ]" 7
25 2 49 PRO O 2 53 ARG H 2.100 . 2.300 2.009 1.859 2.297 . 0 0 "[ . 1 . 2 . ]" 7
26 2 49 PRO O 2 53 ARG N 3.100 2.800 3.300 2.848 2.781 3.149 0.019 7 0 "[ . 1 . 2 . ]" 7
27 2 50 GLU O 2 54 THR H 2.100 . 2.300 2.222 1.930 2.332 0.032 2 0 "[ . 1 . 2 . ]" 7
28 2 50 GLU O 2 54 THR N 3.100 2.800 3.300 3.182 2.909 3.303 0.003 2 0 "[ . 1 . 2 . ]" 7
29 2 52 GLU O 2 56 LEU H 2.100 . 2.300 1.975 1.821 2.245 . 0 0 "[ . 1 . 2 . ]" 7
30 2 52 GLU O 2 56 LEU N 3.100 2.800 3.300 2.880 2.784 3.134 0.016 23 0 "[ . 1 . 2 . ]" 7
31 2 53 ARG O 2 57 THR H 2.100 . 2.300 1.932 1.817 2.267 . 0 0 "[ . 1 . 2 . ]" 7
32 2 53 ARG O 2 57 THR N 3.100 2.800 3.300 2.884 2.785 3.182 0.015 21 0 "[ . 1 . 2 . ]" 7
33 2 55 LEU O 2 59 ALA H 2.100 . 2.300 2.046 1.861 2.225 . 0 0 "[ . 1 . 2 . ]" 7
34 2 55 LEU O 2 59 ALA N 3.100 2.800 3.300 2.952 2.777 3.159 0.023 24 0 "[ . 1 . 2 . ]" 7
35 2 56 LEU O 2 60 LEU H 2.100 . 2.300 2.026 1.861 2.245 . 0 0 "[ . 1 . 2 . ]" 7
36 2 56 LEU O 2 60 LEU N 3.100 2.800 3.300 2.902 2.783 3.084 0.017 24 0 "[ . 1 . 2 . ]" 7
37 2 57 THR O 2 61 ARG H 2.100 . 2.300 1.989 1.907 2.184 . 0 0 "[ . 1 . 2 . ]" 7
38 2 57 THR O 2 61 ARG N 3.100 2.800 3.300 2.853 2.778 3.049 0.022 19 0 "[ . 1 . 2 . ]" 7
39 2 72 ARG O 2 75 GLY H 2.100 . 2.300 2.047 1.841 2.323 0.023 23 0 "[ . 1 . 2 . ]" 7
40 2 72 ARG O 2 75 GLY N 3.100 2.800 3.300 2.999 2.802 3.287 . 0 0 "[ . 1 . 2 . ]" 7
41 2 71 ALA O 2 76 TRP H 2.100 . 2.300 1.893 1.822 2.014 . 0 0 "[ . 1 . 2 . ]" 7
42 2 71 ALA O 2 76 TRP N 3.100 2.800 3.300 2.851 2.757 2.991 0.043 4 0 "[ . 1 . 2 . ]" 7
43 2 82 THR O 2 85 LEU H 2.100 . 2.300 2.245 2.088 2.301 0.001 3 0 "[ . 1 . 2 . ]" 7
44 2 82 THR O 2 85 LEU N 3.100 2.800 3.300 3.010 2.902 3.119 . 0 0 "[ . 1 . 2 . ]" 7
stop_
save_
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