NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376081 |
1faf   |
4403 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1faf
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 838
_Distance_constraint_stats_list.Viol_count 2656
_Distance_constraint_stats_list.Viol_total 6236.357
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0500
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 3 ARG 1.035 0.057 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 4 VAL 2.454 0.081 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 5 LEU 24.842 0.173 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 6 SER 1.166 0.061 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 7 ARG 0.155 0.019 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 8 ALA 0.710 0.050 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 ASP 11.687 0.140 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 LYS 4.509 0.072 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 GLU 1.551 0.072 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 ARG 0.821 0.047 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 13 LEU 5.807 0.060 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 LEU 1.336 0.058 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 15 GLU 0.022 0.008 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 LEU 0.205 0.017 4 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 LEU 7.814 0.132 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 LYS 5.341 0.116 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 LEU 18.814 0.184 9 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 PRO 2.325 0.085 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 ARG 2.172 0.153 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 GLN 6.388 0.153 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 LEU 12.924 0.184 9 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 TRP 3.223 0.069 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 ASP 0.418 0.053 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 PHE 0.226 0.034 46 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 ARG 0.192 0.041 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 MET 1.077 0.053 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 GLN 0.876 0.046 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 GLN 0.036 0.014 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 ALA 0.017 0.005 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 TYR 5.323 0.128 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 35 LYS 0.019 0.014 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 GLN 0.059 0.027 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 37 GLN 2.447 0.080 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 SER 0.825 0.052 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 LEU 0.202 0.059 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 LEU 0.623 0.080 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 LEU 0.347 0.046 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 HIS 1.743 0.064 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 PRO 1.610 0.064 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 44 ASP 0.121 0.022 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 LYS 0.336 0.059 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 46 GLY 0.025 0.017 46 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 GLY 0.202 0.036 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 SER 0.056 0.020 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 ALA 0.114 0.022 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 LEU 0.455 0.036 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 MET 0.495 0.024 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 GLN 0.187 0.062 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 GLU 0.070 0.018 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 LEU 2.929 0.097 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 ASN 0.089 0.062 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 SER 0.015 0.015 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 LEU 4.404 0.137 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 59 TRP 9.660 0.176 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 GLY 1.641 0.057 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 THR 19.163 0.240 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 62 PHE 24.030 0.240 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 63 LYS 22.696 0.216 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 64 THR 0.621 0.067 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 65 GLU 1.181 0.045 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 66 VAL 11.735 0.216 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 67 TYR 0.124 0.067 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 68 ASN 0.578 0.056 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 69 LEU 1.192 0.060 43 0 "[ . 1 . 2 . 3 . 4 . ]"
1 70 ARG 9.052 0.200 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 71 MET 8.945 0.200 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 72 ASN 0.359 0.169 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 73 LEU 0.590 0.169 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 74 GLY 0.249 0.053 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 76 THR 0.003 0.003 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 78 PHE 0.003 0.003 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 ARG H 3.500 . 4.000 2.568 2.132 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 2 ASP HB3 1 3 ARG H 4.200 . 5.000 3.444 1.918 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 2 ASP HB2 1 3 ARG H 4.200 . 5.000 3.928 2.252 4.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 3 ARG HA 1 4 VAL QG 4.200 . 5.000 3.660 3.439 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 3 ARG QB 1 4 VAL QG 4.200 . 5.000 3.916 3.540 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 3 ARG HA 1 4 VAL H 2.800 . 3.000 2.311 2.168 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 3 ARG QB 1 4 VAL H 4.200 . 5.000 3.869 3.532 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 3 ARG H 1 4 VAL H 3.500 . 4.000 3.735 3.138 4.055 0.055 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 3 ARG HA 1 61 THR MG 4.200 . 5.000 4.969 4.737 5.057 0.057 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 3 ARG QB 1 61 THR MG 4.200 . 5.000 4.145 3.689 4.830 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 4 VAL HA 1 4 VAL HB 2.800 . 3.000 2.489 2.459 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 4 VAL H 1 4 VAL HB 3.500 . 4.000 3.812 3.612 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 4 VAL H 1 4 VAL MG2 2.800 . 3.000 2.235 1.931 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 4 VAL H 1 4 VAL MG1 3.500 . 4.000 3.013 2.485 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 4 VAL MG1 1 5 LEU H 3.500 . 4.000 3.889 3.726 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 4 VAL MG2 1 5 LEU H 3.500 . 4.000 4.032 3.926 4.081 0.081 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 4 VAL H 1 5 LEU H 4.200 . 5.000 4.255 4.095 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 4 VAL HA 1 5 LEU H 2.800 . 3.000 2.120 2.084 2.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
19 1 4 VAL HB 1 5 LEU H 3.500 . 4.000 3.287 3.005 3.454 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 4 VAL MG2 1 61 THR MG 4.200 . 5.000 4.860 4.303 5.038 0.038 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 4 VAL MG1 1 61 THR MG 4.200 . 5.000 4.124 3.410 4.719 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
22 1 4 VAL HB 1 61 THR MG 4.200 . 5.000 4.624 3.760 5.032 0.032 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 4 VAL HA 1 61 THR MG 4.200 . 5.000 2.815 2.060 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 4 VAL MG1 1 65 GLU HG3 4.200 . 5.000 4.593 3.577 5.017 0.017 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 4 VAL MG1 1 65 GLU HG2 4.200 . 5.000 4.431 3.134 5.031 0.031 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 5 LEU HA 1 5 LEU HB3 2.800 . 3.000 2.410 2.255 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 5 LEU HB3 1 5 LEU MD1 2.800 . 3.000 2.790 2.247 3.173 0.173 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 5 LEU HA 1 5 LEU HB2 2.800 . 3.000 2.454 2.282 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
29 1 5 LEU HB2 1 5 LEU MD2 2.800 . 3.000 2.746 2.213 3.154 0.154 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 5 LEU HA 1 5 LEU MD2 3.500 . 4.000 3.797 3.427 4.068 0.068 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 5 LEU H 1 5 LEU MD1 3.500 . 4.000 3.118 2.149 4.016 0.016 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 5 LEU H 1 6 SER H 4.200 . 5.000 4.570 4.459 4.614 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 5 LEU HB2 1 6 SER H 4.200 . 5.000 2.938 2.750 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 5 LEU HA 1 6 SER H 2.800 . 3.000 2.208 2.119 2.270 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 5 LEU MD1 1 6 SER H 4.200 . 5.000 4.106 3.768 4.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 5 LEU MD2 1 6 SER H 4.200 . 5.000 4.662 4.256 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 5 LEU MD2 1 9 ASP HB3 3.500 . 4.000 3.585 2.771 4.107 0.107 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 5 LEU MD1 1 9 ASP HB3 4.200 . 5.000 3.171 1.781 4.659 0.019 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 5 LEU HB3 1 9 ASP HB3 4.200 . 5.000 2.993 2.682 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 5 LEU MD2 1 9 ASP HB2 3.500 . 4.000 3.648 2.938 4.110 0.110 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 5 LEU HA 1 9 ASP H 4.200 . 5.000 5.053 4.872 5.140 0.140 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 5 LEU MD1 1 10 LYS HA 4.200 . 5.000 2.696 1.851 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 5 LEU MD2 1 10 LYS HA 4.200 . 5.000 3.321 2.164 4.570 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 5 LEU MD1 1 10 LYS QE 4.200 . 5.000 4.629 3.086 5.065 0.065 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 5 LEU MD1 1 10 LYS QG 4.200 . 5.000 3.343 2.934 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 5 LEU MD2 1 10 LYS HG3 4.200 . 5.000 5.000 4.854 5.049 0.049 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 5 LEU MD2 1 10 LYS HG2 4.200 . 5.000 4.588 3.760 5.017 0.017 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 5 LEU MD2 1 10 LYS H 4.200 . 5.000 3.887 3.400 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 5 LEU MD1 1 24 TRP HH2 4.200 . 5.000 3.719 2.994 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 5 LEU MD1 1 24 TRP HZ2 4.200 . 5.000 4.084 3.560 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 5 LEU MD2 1 61 THR HB 3.500 . 4.000 4.086 4.002 4.166 0.166 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 5 LEU MD1 1 61 THR HB 4.200 . 5.000 4.958 4.105 5.143 0.143 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 5 LEU H 1 61 THR HG1 4.200 . 5.000 2.221 1.782 2.479 0.018 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 5 LEU HA 1 61 THR MG 4.200 . 5.000 3.826 3.211 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 5 LEU HB3 1 61 THR MG 4.200 . 5.000 2.554 1.738 3.461 0.062 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 5 LEU HB2 1 61 THR MG 4.200 . 5.000 3.687 3.129 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 5 LEU HG 1 61 THR MG 4.200 . 5.000 2.800 1.729 4.003 0.071 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 5 LEU MD1 1 62 PHE HA 4.200 . 5.000 3.425 2.857 3.902 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
59 1 5 LEU MD2 1 62 PHE HA 4.200 . 5.000 3.001 1.826 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 5 LEU MD1 1 62 PHE HB3 4.200 . 5.000 4.412 3.512 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 5 LEU MD1 1 62 PHE HB2 4.200 . 5.000 2.935 2.120 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 5 LEU MD1 1 62 PHE QD 4.200 . 5.000 3.787 3.186 4.350 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 5 LEU MD2 1 62 PHE QD 4.200 . 5.000 3.639 2.694 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 5 LEU MD1 1 62 PHE H 4.200 . 5.000 3.880 3.353 4.254 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 5 LEU MD2 1 62 PHE H 4.200 . 5.000 3.118 2.767 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 6 SER HA 1 6 SER HB3 2.800 . 3.000 2.466 2.343 2.574 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 6 SER HA 1 6 SER HB2 2.800 . 3.000 2.458 2.365 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 6 SER HA 1 7 ARG H 2.800 . 3.000 2.644 2.494 2.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 6 SER HB3 1 7 ARG H 3.500 . 4.000 3.527 3.349 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 6 SER HB2 1 7 ARG H 2.800 . 3.000 2.024 1.903 2.318 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 6 SER HB3 1 8 ALA H 4.200 . 5.000 4.382 4.211 4.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 6 SER HB2 1 8 ALA H 4.200 . 5.000 3.164 2.769 3.485 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 6 SER H 1 9 ASP HB3 3.500 . 4.000 4.000 3.699 4.061 0.061 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 6 SER H 1 9 ASP HB2 2.500 . 2.700 2.582 2.260 2.716 0.016 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 6 SER H 1 9 ASP H 4.200 . 5.000 3.332 3.181 3.718 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 7 ARG H 1 8 ALA MB 4.200 . 5.000 4.338 4.230 4.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 7 ARG HA 1 8 ALA H 4.200 . 5.000 3.512 3.479 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 7 ARG H 1 8 ALA H 2.800 . 3.000 2.713 2.599 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 7 ARG HB3 1 8 ALA H 3.500 . 4.000 3.510 2.620 4.017 0.017 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 7 ARG HB2 1 8 ALA H 3.500 . 4.000 3.460 2.517 4.014 0.014 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 7 ARG QG 1 8 ALA H 3.500 . 4.000 3.278 1.859 4.019 0.019 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
82 1 7 ARG HA 1 10 LYS HB3 4.200 . 5.000 4.383 4.030 4.787 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 7 ARG HA 1 10 LYS HB2 4.200 . 5.000 4.709 4.492 4.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 7 ARG HA 1 10 LYS QD 4.200 . 5.000 2.631 1.974 3.417 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 7 ARG HA 1 10 LYS QG 4.200 . 5.000 2.034 1.829 2.294 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 7 ARG HA 1 10 LYS H 3.500 . 4.000 3.801 3.663 3.997 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 7 ARG HA 1 11 GLU H 4.200 . 5.000 3.824 3.577 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 8 ALA MB 1 9 ASP HA 4.200 . 5.000 3.776 3.660 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 8 ALA H 1 9 ASP H 2.800 . 3.000 2.645 2.469 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 8 ALA HA 1 9 ASP H 3.500 . 4.000 3.542 3.476 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 8 ALA H 1 10 LYS H 4.200 . 5.000 4.414 4.082 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 8 ALA HA 1 10 LYS H 4.200 . 5.000 4.958 4.738 5.037 0.037 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 8 ALA MB 1 10 LYS H 4.200 . 5.000 4.805 4.559 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 8 ALA HA 1 11 GLU QB 3.500 . 4.000 2.731 2.307 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 8 ALA MB 1 11 GLU QB 4.200 . 5.000 4.133 3.799 5.007 0.007 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 8 ALA HA 1 11 GLU HG3 4.200 . 5.000 4.083 2.358 5.007 0.007 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 8 ALA HA 1 11 GLU HG2 4.200 . 5.000 4.434 1.955 5.050 0.050 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 8 ALA HA 1 11 GLU H 3.500 . 4.000 3.780 3.541 3.993 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 8 ALA MB 1 11 GLU H 4.200 . 5.000 4.749 4.520 5.009 0.009 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 9 ASP H 1 9 ASP HB3 3.500 . 4.000 3.569 3.490 3.647 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 9 ASP H 1 9 ASP HB2 2.800 . 3.000 2.439 2.194 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 9 ASP HA 1 10 LYS H 4.200 . 5.000 3.581 3.563 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 9 ASP H 1 10 LYS H 2.800 . 3.000 2.737 2.381 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 9 ASP HB2 1 10 LYS H 3.500 . 4.000 2.389 2.232 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 9 ASP HB3 1 10 LYS H 4.200 . 5.000 3.349 2.958 3.748 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 9 ASP HA 1 12 ARG QB 3.500 . 4.000 2.552 2.307 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 9 ASP HA 1 12 ARG HG3 4.200 . 5.000 4.943 4.041 5.042 0.042 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 9 ASP HA 1 12 ARG HG2 4.200 . 5.000 4.696 4.169 5.026 0.026 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 9 ASP HA 1 12 ARG H 3.500 . 4.000 3.329 3.151 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 9 ASP HA 1 58 LEU MD1 4.200 . 5.000 3.698 2.962 4.564 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 9 ASP HA 1 58 LEU MD2 2.800 . 3.000 2.598 2.022 3.033 0.033 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 9 ASP HB3 1 58 LEU MD2 2.800 . 3.000 1.863 1.774 2.133 0.026 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 9 ASP HB2 1 58 LEU MD2 2.800 . 3.000 3.081 3.026 3.137 0.137 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 10 LYS H 1 10 LYS HB3 2.800 . 3.000 2.645 2.459 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 10 LYS H 1 10 LYS HB2 3.500 . 4.000 3.603 3.576 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 10 LYS H 1 10 LYS QE 4.200 . 5.000 4.527 3.914 5.016 0.016 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 10 LYS HB3 1 11 GLU H 3.500 . 4.000 4.021 3.959 4.072 0.072 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 10 LYS HB2 1 11 GLU H 3.500 . 4.000 3.727 3.408 4.029 0.029 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 10 LYS HA 1 11 GLU H 3.500 . 4.000 3.508 3.474 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 10 LYS H 1 11 GLU H 2.800 . 3.000 2.690 2.556 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 10 LYS QG 1 11 GLU H 4.200 . 5.000 2.118 1.895 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 10 LYS QD 1 11 GLU H 4.200 . 5.000 3.170 1.993 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 10 LYS QE 1 11 GLU H 4.200 . 5.000 4.098 2.251 5.006 0.006 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 10 LYS HA 1 13 LEU QB 3.500 . 4.000 2.564 2.230 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 10 LYS HA 1 13 LEU H 3.500 . 4.000 3.283 3.069 3.417 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 10 LYS HA 1 14 LEU H 4.200 . 5.000 4.507 4.069 4.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 10 LYS HA 1 24 TRP HH2 4.200 . 5.000 3.109 2.483 3.601 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 10 LYS HB3 1 24 TRP HH2 4.200 . 5.000 3.391 2.623 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 10 LYS QG 1 24 TRP HH2 4.200 . 5.000 4.499 4.217 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 10 LYS HA 1 24 TRP HZ2 4.200 . 5.000 4.588 3.967 5.058 0.058 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 10 LYS HB2 1 24 TRP HZ2 4.200 . 5.000 2.725 2.392 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 10 LYS QE 1 24 TRP HZ2 4.200 . 5.000 3.558 2.154 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 10 LYS HG3 1 24 TRP HZ2 4.200 . 5.000 5.015 4.125 5.069 0.069 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 10 LYS HG2 1 24 TRP HZ2 4.200 . 5.000 4.390 3.772 5.036 0.036 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 10 LYS HA 1 24 TRP HZ3 4.200 . 5.000 4.425 3.758 5.002 0.002 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 10 LYS H 1 58 LEU MD2 4.200 . 5.000 3.781 3.497 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 11 GLU H 1 12 ARG HB3 4.200 . 5.000 4.748 4.553 5.047 0.047 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 11 GLU HA 1 12 ARG H 4.200 . 5.000 3.493 3.460 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 11 GLU H 1 12 ARG H 2.800 . 3.000 2.509 2.421 2.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 11 GLU QB 1 12 ARG H 3.500 . 4.000 2.845 2.575 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
141 1 11 GLU HG3 1 12 ARG H 4.200 . 5.000 4.397 2.000 5.020 0.020 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 11 GLU HG2 1 12 ARG H 4.200 . 5.000 4.523 2.608 5.022 0.022 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 11 GLU H 1 13 LEU H 4.200 . 5.000 3.970 3.844 4.268 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
144 1 11 GLU HA 1 14 LEU QB 3.500 . 4.000 2.765 2.337 3.159 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 11 GLU HA 1 14 LEU MD1 4.200 . 5.000 2.938 2.495 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 11 GLU HA 1 14 LEU H 3.500 . 4.000 3.410 3.056 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 11 GLU HA 1 15 GLU H 4.200 . 5.000 4.559 4.238 4.846 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
148 1 12 ARG H 1 12 ARG HB3 2.800 . 3.000 2.508 2.342 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
149 1 12 ARG H 1 12 ARG HB2 2.800 . 3.000 2.561 2.176 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 12 ARG H 1 13 LEU H 2.800 . 3.000 2.495 2.279 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 12 ARG QD 1 13 LEU H 4.200 . 5.000 4.497 3.584 4.960 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 12 ARG QG 1 13 LEU H 4.200 . 5.000 3.824 3.467 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 12 ARG HB3 1 13 LEU H 4.200 . 5.000 2.744 2.400 2.938 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
154 1 12 ARG HB2 1 13 LEU H 4.200 . 5.000 3.918 3.487 4.118 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
155 1 12 ARG HA 1 15 GLU QB 3.500 . 4.000 2.804 2.427 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 12 ARG HA 1 15 GLU H 3.500 . 4.000 3.310 3.197 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 12 ARG HE 1 16 LEU QD 4.200 . 5.000 3.560 1.806 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 12 ARG HG3 1 16 LEU QD 4.200 . 5.000 3.267 2.442 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 12 ARG HG2 1 16 LEU QD 4.200 . 5.000 3.310 2.001 4.809 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 12 ARG HD3 1 16 LEU QD 4.200 . 5.000 3.800 2.034 4.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 12 ARG HD2 1 16 LEU QD 4.200 . 5.000 3.607 1.923 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 12 ARG HG3 1 58 LEU QD 4.200 . 5.000 3.374 2.190 4.997 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 12 ARG HG2 1 58 LEU QD 4.200 . 5.000 3.124 2.085 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 12 ARG HD3 1 58 LEU QD 4.200 . 5.000 3.572 1.901 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 12 ARG HD2 1 58 LEU QD 4.200 . 5.000 3.674 1.794 4.926 0.006 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 12 ARG HE 1 58 LEU MD1 4.200 . 5.000 4.131 2.263 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 12 ARG HB3 1 58 LEU MD1 4.200 . 5.000 2.719 1.937 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 12 ARG HB3 1 58 LEU MD2 4.200 . 5.000 3.050 2.215 3.846 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 13 LEU HA 1 13 LEU MD1 2.800 . 3.000 2.633 2.481 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 13 LEU H 1 13 LEU HB3 2.800 . 3.000 2.335 2.265 2.366 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
171 1 13 LEU HB3 1 13 LEU MD2 2.800 . 3.000 1.995 1.945 2.077 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 13 LEU H 1 13 LEU HB2 2.800 . 3.000 2.640 2.574 2.728 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
173 1 13 LEU HA 1 13 LEU HB2 2.800 . 3.000 2.391 2.364 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
174 1 13 LEU HB2 1 13 LEU MD1 2.800 . 3.000 2.133 1.980 2.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
175 1 13 LEU H 1 13 LEU MD1 4.200 . 5.000 4.224 4.177 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 13 LEU H 1 13 LEU MD2 3.500 . 4.000 4.035 4.015 4.056 0.056 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 13 LEU MD2 1 14 LEU HB2 4.200 . 5.000 5.025 4.972 5.058 0.058 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 13 LEU H 1 14 LEU H 3.500 . 4.000 2.560 2.444 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 13 LEU HA 1 14 LEU H 3.500 . 4.000 3.496 3.463 3.540 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 13 LEU MD2 1 14 LEU H 3.500 . 4.000 3.762 3.581 3.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
181 1 13 LEU HB3 1 14 LEU H 3.500 . 4.000 2.761 2.574 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 13 LEU HA 1 16 LEU QB 3.500 . 4.000 3.234 2.701 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 13 LEU MD1 1 16 LEU QD 4.200 . 5.000 4.192 3.495 4.956 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 13 LEU MD1 1 17 LEU MD1 4.200 . 5.000 3.573 2.174 4.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
185 1 13 LEU MD1 1 17 LEU MD2 4.200 . 5.000 2.555 2.002 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
186 1 13 LEU MD1 1 17 LEU HG 4.200 . 5.000 3.892 3.143 5.002 0.002 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
187 1 13 LEU MD2 1 24 TRP HE3 4.200 . 5.000 4.269 4.119 4.377 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
188 1 13 LEU HB3 1 24 TRP HH2 4.200 . 5.000 3.499 3.204 3.786 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
189 1 13 LEU HB2 1 24 TRP HH2 4.200 . 5.000 4.725 4.467 5.002 0.002 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 13 LEU MD2 1 24 TRP HH2 4.200 . 5.000 2.251 1.960 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 13 LEU HB3 1 24 TRP HZ3 4.200 . 5.000 3.415 3.327 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
192 1 13 LEU HB2 1 24 TRP HZ3 4.200 . 5.000 5.018 4.946 5.043 0.043 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 13 LEU MD2 1 24 TRP HZ3 4.200 . 5.000 2.148 1.971 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 13 LEU HG 1 24 TRP HZ3 4.200 . 5.000 4.024 3.637 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 13 LEU MD1 1 55 LEU MD1 4.200 . 5.000 1.962 1.790 2.504 0.010 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
196 1 13 LEU MD1 1 58 LEU HB3 4.200 . 5.000 2.193 1.850 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 13 LEU MD1 1 58 LEU HB2 4.200 . 5.000 2.330 1.897 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 13 LEU H 1 58 LEU MD1 4.200 . 5.000 3.354 2.310 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 13 LEU HA 1 58 LEU MD1 4.200 . 5.000 2.857 2.217 4.012 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 13 LEU H 1 58 LEU MD2 4.200 . 5.000 3.438 2.876 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 13 LEU HB2 1 58 LEU MD2 4.200 . 5.000 2.820 2.205 3.410 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
202 1 13 LEU MD1 1 59 TRP HA 4.200 . 5.000 2.370 2.023 2.722 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 13 LEU MD2 1 59 TRP HA 4.200 . 5.000 2.979 2.645 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 13 LEU MD1 1 59 TRP QB 4.200 . 5.000 2.099 1.807 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
205 1 13 LEU MD1 1 59 TRP HE3 4.200 . 5.000 2.741 2.356 3.074 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 13 LEU MD2 1 59 TRP HE3 4.200 . 5.000 2.428 2.086 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 13 LEU MD1 1 59 TRP H 3.500 . 4.000 2.917 2.642 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
208 1 13 LEU MD2 1 62 PHE HB3 4.200 . 5.000 3.496 3.342 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 13 LEU MD2 1 62 PHE HB2 4.200 . 5.000 3.083 2.887 3.230 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 13 LEU MD2 1 62 PHE QD 4.200 . 5.000 2.090 1.897 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 13 LEU MD2 1 62 PHE H 4.200 . 5.000 5.041 5.024 5.060 0.060 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 13 LEU MD2 1 62 PHE HZ 4.200 . 5.000 3.927 3.546 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
213 1 14 LEU HA 1 14 LEU HB3 2.800 . 3.000 2.630 2.524 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
214 1 14 LEU H 1 14 LEU HB2 2.800 . 3.000 2.211 2.106 2.358 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
215 1 14 LEU HA 1 15 GLU H 3.500 . 4.000 3.533 3.509 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
216 1 14 LEU H 1 15 GLU H 2.800 . 3.000 2.589 2.450 2.742 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
217 1 14 LEU HB3 1 15 GLU H 3.500 . 4.000 3.363 3.077 3.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 14 LEU HB2 1 15 GLU H 3.500 . 4.000 2.753 2.487 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 14 LEU HA 1 17 LEU QB 3.500 . 4.000 2.063 1.867 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
220 1 14 LEU MD2 1 19 LEU HB3 4.200 . 5.000 2.285 1.941 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
221 1 14 LEU MD1 1 19 LEU HB3 4.200 . 5.000 4.587 3.889 5.005 0.005 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 14 LEU MD2 1 19 LEU H 4.200 . 5.000 3.351 3.097 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 14 LEU MD2 1 20 PRO QD 4.200 . 5.000 4.679 4.532 5.004 0.004 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
224 1 14 LEU QD 1 21 ARG HA 4.200 . 5.000 1.951 1.786 2.525 0.014 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
225 1 14 LEU MD1 1 21 ARG QB 4.200 . 5.000 2.651 2.025 3.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 14 LEU QD 1 21 ARG QD 4.200 . 5.000 3.517 2.731 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 14 LEU MD2 1 24 TRP HB3 4.200 . 5.000 4.847 4.553 5.026 0.026 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 14 LEU MD1 1 24 TRP HB3 4.200 . 5.000 3.825 3.568 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
229 1 14 LEU MD1 1 24 TRP HB2 4.200 . 5.000 2.377 2.085 2.846 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
230 1 14 LEU MD2 1 24 TRP HB2 4.200 . 5.000 3.352 3.092 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 14 LEU HA 1 24 TRP HE3 4.200 . 5.000 4.577 4.318 4.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 14 LEU MD1 1 24 TRP HE3 4.200 . 5.000 2.070 1.880 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 14 LEU MD2 1 24 TRP HE3 4.200 . 5.000 1.902 1.795 2.025 0.005 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
234 1 14 LEU HG 1 24 TRP HE3 4.200 . 5.000 2.514 2.227 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 14 LEU HB3 1 24 TRP HE3 4.200 . 5.000 4.606 4.437 4.901 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
236 1 14 LEU MD1 1 24 TRP H 4.200 . 5.000 4.164 3.771 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 14 LEU MD2 1 24 TRP H 4.200 . 5.000 4.617 4.315 5.003 0.003 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 14 LEU HA 1 24 TRP HZ3 4.200 . 5.000 3.859 3.633 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 14 LEU MD2 1 24 TRP HZ3 4.200 . 5.000 2.273 1.928 2.671 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 14 LEU HG 1 24 TRP HZ3 4.200 . 5.000 2.079 1.924 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 15 GLU H 1 16 LEU H 2.800 . 3.000 2.787 2.674 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 15 GLU QB 1 16 LEU H 2.800 . 3.000 2.562 2.214 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
243 1 15 GLU H 1 17 LEU H 4.200 . 5.000 3.845 3.677 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 15 GLU HA 1 19 LEU H 4.200 . 5.000 4.871 4.616 5.008 0.008 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 16 LEU HA 1 16 LEU HB2 2.800 . 3.000 2.996 2.964 3.017 0.017 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 16 LEU HA 1 16 LEU QD 2.800 . 3.000 2.604 1.885 3.006 0.006 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 16 LEU H 1 16 LEU HB3 3.500 . 4.000 3.540 3.464 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 16 LEU H 1 16 LEU HB2 2.800 . 3.000 2.299 2.163 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
249 1 16 LEU HA 1 17 LEU H 3.500 . 4.000 3.413 3.366 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 16 LEU H 1 17 LEU H 2.800 . 3.000 2.430 2.250 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 16 LEU HA 1 18 LYS QD 4.200 . 5.000 4.225 3.672 5.004 0.004 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 16 LEU QD 1 54 GLU QB 4.200 . 5.000 3.447 2.814 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 16 LEU HB3 1 55 LEU MD1 2.800 . 3.000 2.672 1.982 3.007 0.007 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 16 LEU HB2 1 55 LEU MD1 4.200 . 5.000 2.564 1.909 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 16 LEU QD 1 58 LEU MD1 4.200 . 5.000 3.298 2.392 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 17 LEU HA 1 17 LEU HB3 2.800 . 3.000 2.684 2.670 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 17 LEU HA 1 17 LEU MD1 2.800 . 3.000 2.453 2.157 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 17 LEU H 1 17 LEU MD1 4.200 . 5.000 3.827 2.205 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 17 LEU HB2 1 17 LEU MD2 2.800 . 3.000 2.520 2.174 2.770 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 17 LEU H 1 17 LEU MD2 3.500 . 4.000 2.908 2.433 4.027 0.027 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 17 LEU H 1 17 LEU HB2 2.800 . 3.000 2.185 2.164 2.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 17 LEU H 1 18 LYS HA 4.200 . 5.000 4.646 4.580 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 17 LEU HA 1 18 LYS H 3.500 . 4.000 3.342 3.258 3.395 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 17 LEU H 1 18 LYS H 2.800 . 3.000 2.430 2.342 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 17 LEU HA 1 19 LEU HB3 4.200 . 5.000 4.921 4.665 5.045 0.045 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 17 LEU HA 1 19 LEU H 3.500 . 4.000 4.118 4.095 4.132 0.132 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 17 LEU H 1 19 LEU H 4.200 . 5.000 3.664 3.547 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 17 LEU HA 1 33 ALA MB 4.200 . 5.000 2.949 2.363 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 17 LEU MD2 1 33 ALA MB 4.200 . 5.000 3.516 2.779 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 17 LEU MD2 1 34 TYR HA 4.200 . 5.000 2.681 2.087 3.661 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 17 LEU MD2 1 34 TYR QB 4.200 . 5.000 2.937 2.136 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 17 LEU MD2 1 34 TYR QD 4.200 . 5.000 2.815 2.467 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 17 LEU MD2 1 34 TYR QE 4.200 . 5.000 4.301 3.578 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 17 LEU MD1 1 34 TYR H 4.200 . 5.000 2.810 2.094 4.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 17 LEU MD2 1 34 TYR H 3.500 . 4.000 3.869 3.023 4.038 0.038 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 17 LEU MD2 1 37 GLN QB 4.200 . 5.000 3.879 2.876 5.032 0.032 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 17 LEU MD2 1 37 GLN QG 4.200 . 5.000 3.963 3.109 5.017 0.017 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 17 LEU HA 1 37 GLN HG3 4.200 . 5.000 2.619 1.850 5.033 0.033 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 17 LEU HA 1 37 GLN HG2 4.200 . 5.000 3.587 1.866 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 17 LEU HA 1 37 GLN H 4.200 . 5.000 4.998 4.867 5.050 0.050 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 17 LEU MD2 1 55 LEU MD1 4.200 . 5.000 2.255 1.780 3.651 0.020 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 17 LEU H 1 55 LEU MD1 4.200 . 5.000 4.164 3.698 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 17 LEU MD1 1 59 TRP HE3 4.200 . 5.000 4.110 3.628 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 17 LEU MD1 1 59 TRP HZ3 4.200 . 5.000 4.263 3.390 5.042 0.042 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 18 LYS H 1 18 LYS HA 2.500 . 2.700 2.285 2.278 2.294 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 18 LYS H 1 19 LEU H 2.800 . 3.000 2.650 2.608 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 18 LYS HA 1 19 LEU H 2.800 . 3.000 3.016 2.981 3.039 0.039 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
288 1 18 LYS HB2 1 19 LEU H 4.200 . 5.000 4.044 4.005 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 18 LYS HB3 1 19 LEU H 3.500 . 4.000 4.097 4.083 4.116 0.116 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 18 LYS HD3 1 37 GLN QE 4.200 . 5.000 2.554 1.969 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 18 LYS HD2 1 37 GLN QE 4.200 . 5.000 2.839 1.926 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
292 1 18 LYS QE 1 37 GLN QE 4.200 . 5.000 3.331 1.947 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 18 LYS QG 1 37 GLN QE 4.200 . 5.000 3.744 1.975 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 18 LYS HD3 1 40 LEU QD 4.200 . 5.000 4.033 3.535 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 18 LYS HD2 1 40 LEU QD 4.200 . 5.000 4.398 3.209 5.009 0.009 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 18 LYS QE 1 40 LEU QD 4.200 . 5.000 4.137 2.818 4.969 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 19 LEU MD2 1 20 PRO HA 4.200 . 5.000 4.580 4.279 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
298 1 19 LEU HA 1 20 PRO QB 4.200 . 5.000 4.584 4.517 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 19 LEU MD1 1 20 PRO HD3 4.200 . 5.000 4.954 4.584 5.021 0.021 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 19 LEU HA 1 20 PRO HD3 2.800 . 3.000 2.189 2.093 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 19 LEU HB3 1 20 PRO HD3 4.200 . 5.000 4.920 4.815 5.018 0.018 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 19 LEU HB2 1 20 PRO HD3 4.200 . 5.000 4.633 4.449 4.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 19 LEU MD2 1 20 PRO HD3 4.200 . 5.000 4.763 3.443 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 19 LEU H 1 20 PRO HD3 4.200 . 5.000 4.231 4.004 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 19 LEU MD1 1 20 PRO HD2 4.200 . 5.000 4.069 3.414 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
306 1 19 LEU HA 1 20 PRO HD2 2.800 . 3.000 2.267 2.024 2.361 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 19 LEU HB3 1 20 PRO HD2 4.200 . 5.000 4.713 4.516 4.861 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 19 LEU HB2 1 20 PRO HD2 4.200 . 5.000 4.407 3.908 4.617 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 19 LEU MD2 1 20 PRO HD2 4.200 . 5.000 3.924 2.227 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 19 LEU H 1 20 PRO HD2 4.200 . 5.000 4.939 4.616 5.025 0.025 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 19 LEU HA 1 20 PRO QG 4.200 . 5.000 3.883 3.853 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 19 LEU MD2 1 20 PRO QG 4.200 . 5.000 4.969 3.764 5.085 0.085 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 19 LEU H 1 23 LEU MD1 4.200 . 5.000 5.137 5.076 5.184 0.184 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
314 1 19 LEU HA 1 23 LEU MD1 4.200 . 5.000 3.179 2.688 3.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 19 LEU HB3 1 23 LEU MD1 4.200 . 5.000 4.085 3.951 4.218 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 19 LEU HB2 1 23 LEU MD1 4.200 . 5.000 4.220 3.340 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
317 1 19 LEU MD1 1 23 LEU MD1 4.200 . 5.000 3.125 1.778 3.377 0.022 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
318 1 19 LEU MD2 1 23 LEU MD1 4.200 . 5.000 2.274 1.775 3.165 0.025 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 19 LEU MD2 1 24 TRP HA 4.200 . 5.000 2.797 2.206 5.022 0.022 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 19 LEU MD1 1 29 ARG QB 4.200 . 5.000 2.008 1.794 3.525 0.006 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 19 LEU MD1 1 29 ARG QD 4.200 . 5.000 3.012 1.934 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 19 LEU MD1 1 30 MET HA 2.800 . 3.000 1.894 1.763 2.913 0.037 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 19 LEU MD2 1 30 MET QG 4.200 . 5.000 4.319 4.023 4.771 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 19 LEU MD1 1 30 MET HG3 4.200 . 5.000 4.631 4.284 5.033 0.033 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 19 LEU MD1 1 30 MET HG2 4.200 . 5.000 3.946 3.444 4.683 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 19 LEU MD1 1 30 MET H 4.200 . 5.000 2.791 2.356 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 20 PRO HA 1 21 ARG QB 4.200 . 5.000 4.438 4.026 4.743 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
328 1 20 PRO HA 1 21 ARG QG 4.200 . 5.000 3.977 3.233 4.967 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 20 PRO HA 1 21 ARG H 2.800 . 3.000 2.379 2.322 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 20 PRO HB3 1 21 ARG H 4.200 . 5.000 2.709 2.537 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 20 PRO HB2 1 21 ARG H 4.200 . 5.000 3.187 2.767 3.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 20 PRO QB 1 22 GLN H 4.200 . 5.000 2.387 2.194 2.710 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 20 PRO QB 1 23 LEU QB 4.200 . 5.000 4.127 3.876 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 20 PRO QD 1 23 LEU QB 4.200 . 5.000 4.657 4.260 5.001 0.001 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 20 PRO HD3 1 23 LEU MD1 4.200 . 5.000 3.488 3.275 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 20 PRO HD2 1 23 LEU MD1 4.200 . 5.000 2.075 1.821 2.485 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 20 PRO HB3 1 23 LEU MD1 4.200 . 5.000 3.568 3.309 5.074 0.074 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 20 PRO HB2 1 23 LEU MD1 4.200 . 5.000 2.103 1.818 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 20 PRO HG3 1 23 LEU MD1 4.200 . 5.000 3.938 3.820 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 20 PRO HG2 1 23 LEU MD1 4.200 . 5.000 2.979 2.790 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 20 PRO HB2 1 23 LEU MD2 4.200 . 5.000 4.313 1.771 4.793 0.029 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 20 PRO QG 1 23 LEU MD2 4.200 . 5.000 4.790 2.201 5.074 0.074 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 20 PRO QG 1 23 LEU HG 4.200 . 5.000 4.521 4.243 5.034 0.034 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
344 1 20 PRO QB 1 23 LEU HG 4.200 . 5.000 4.261 3.805 4.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 21 ARG HA 1 22 GLN HA 4.200 . 5.000 4.753 4.670 4.891 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 21 ARG QB 1 22 GLN HA 4.200 . 5.000 4.194 3.863 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 21 ARG HA 1 22 GLN QB 4.200 . 5.000 5.043 5.021 5.153 0.153 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 21 ARG HA 1 22 GLN H 4.200 . 5.000 3.326 3.259 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 21 ARG QB 1 22 GLN H 4.200 . 5.000 3.490 2.789 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 21 ARG QG 1 22 GLN H 4.200 . 5.000 3.682 2.125 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
351 1 21 ARG H 1 22 GLN H 2.800 . 3.000 2.359 2.241 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 21 ARG HA 1 23 LEU H 3.500 . 4.000 3.925 3.394 4.034 0.034 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 22 GLN H 1 23 LEU MD2 4.200 . 5.000 4.907 2.637 5.138 0.138 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 22 GLN HA 1 23 LEU H 3.500 . 4.000 3.474 3.353 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 22 GLN H 1 23 LEU H 2.800 . 3.000 2.474 2.326 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 22 GLN H 1 24 TRP H 4.200 . 5.000 3.826 3.694 4.228 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 22 GLN HA 1 24 TRP H 4.200 . 5.000 3.856 3.752 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 23 LEU H 1 23 LEU HG 4.200 . 5.000 3.734 2.617 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 23 LEU MD2 1 24 TRP HB2 4.200 . 5.000 4.307 3.877 5.059 0.059 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 23 LEU HA 1 24 TRP H 3.500 . 4.000 3.117 3.015 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 23 LEU H 1 24 TRP H 2.800 . 3.000 2.401 2.093 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 23 LEU QB 1 24 TRP H 4.200 . 5.000 3.977 3.932 4.009 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 23 LEU MD2 1 24 TRP H 4.200 . 5.000 3.331 2.737 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 23 LEU MD1 1 24 TRP H 4.200 . 5.000 3.048 2.681 5.061 0.061 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
365 1 23 LEU HG 1 26 ASP QB 4.200 . 5.000 4.477 3.278 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
366 1 23 LEU MD2 1 26 ASP HB3 4.200 . 5.000 2.943 2.007 5.053 0.053 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
367 1 23 LEU HA 1 26 ASP HB2 4.200 . 5.000 4.747 2.943 5.034 0.034 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 23 LEU MD2 1 26 ASP HB2 4.200 . 5.000 3.346 2.576 5.025 0.025 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 23 LEU HA 1 26 ASP H 4.200 . 5.000 4.592 2.975 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 23 LEU QB 1 26 ASP H 4.200 . 5.000 4.098 3.179 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 23 LEU MD2 1 29 ARG QB 4.200 . 5.000 2.622 1.896 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 23 LEU MD2 1 29 ARG QD 4.200 . 5.000 3.022 2.029 4.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 23 LEU MD1 1 29 ARG QD 4.200 . 5.000 4.086 2.290 5.020 0.020 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 24 TRP H 1 24 TRP HB3 2.800 . 3.000 2.416 2.324 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
375 1 24 TRP H 1 24 TRP HB2 2.800 . 3.000 2.577 2.481 2.655 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 24 TRP H 1 24 TRP HE3 4.200 . 5.000 4.780 4.583 4.931 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
377 1 24 TRP HD1 1 25 GLY QA 4.200 . 5.000 4.083 3.768 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 24 TRP HB3 1 25 GLY H 4.200 . 5.000 4.327 3.102 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
379 1 24 TRP HE3 1 30 MET ME 4.200 . 5.000 3.599 2.867 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 24 TRP HH2 1 30 MET ME 4.200 . 5.000 4.597 3.895 5.011 0.011 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 24 TRP HH2 1 62 PHE QD 4.200 . 5.000 3.844 3.549 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 24 TRP HZ2 1 62 PHE QD 4.200 . 5.000 3.856 3.375 4.730 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
383 1 24 TRP HZ2 1 62 PHE QE 4.200 . 5.000 3.178 2.426 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 25 GLY H 1 26 ASP H 3.500 . 4.000 2.126 1.967 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 25 GLY QA 1 26 ASP H 3.500 . 4.000 2.835 2.762 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 25 GLY H 1 30 MET ME 4.200 . 5.000 2.586 1.888 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 25 GLY HA3 1 30 MET ME 4.200 . 5.000 4.105 3.311 4.921 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 25 GLY HA2 1 30 MET ME 4.200 . 5.000 2.940 1.937 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 26 ASP H 1 26 ASP HB3 2.800 . 3.000 2.735 2.590 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 26 ASP HA 1 26 ASP HB2 2.800 . 3.000 2.586 2.509 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 26 ASP H 1 26 ASP HB2 2.800 . 3.000 2.404 2.264 2.551 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 26 ASP HA 1 27 PHE H 4.200 . 5.000 2.234 2.143 2.313 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 26 ASP HB2 1 27 PHE H 4.200 . 5.000 4.599 4.381 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
394 1 26 ASP HA 1 28 GLY H 4.200 . 5.000 3.676 3.422 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 26 ASP HB3 1 29 ARG QB 4.200 . 5.000 1.981 1.834 2.265 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 26 ASP HB2 1 29 ARG QB 4.200 . 5.000 3.456 3.188 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 26 ASP HB2 1 29 ARG QG 4.200 . 5.000 4.295 3.229 5.032 0.032 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 27 PHE HA 1 27 PHE HB2 2.800 . 3.000 2.499 2.447 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 27 PHE H 1 27 PHE HB3 2.800 . 3.000 2.696 2.455 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 27 PHE H 1 27 PHE HB2 2.800 . 3.000 2.409 2.205 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 27 PHE HB3 1 28 GLY H 2.800 . 3.000 2.653 2.345 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 27 PHE H 1 28 GLY H 3.500 . 4.000 2.840 2.412 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 27 PHE HB2 1 28 GLY H 4.200 . 5.000 3.855 3.592 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 27 PHE H 1 29 ARG H 4.200 . 5.000 4.330 3.904 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
405 1 27 PHE HA 1 30 MET QB 3.500 . 4.000 3.875 3.672 4.005 0.005 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
406 1 27 PHE HA 1 30 MET ME 4.200 . 5.000 3.205 2.724 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
407 1 27 PHE HA 1 30 MET H 3.500 . 4.000 3.626 3.409 3.797 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
408 1 27 PHE HA 1 31 GLN H 3.500 . 4.000 3.668 3.317 4.018 0.018 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
409 1 27 PHE HA 1 59 TRP HH2 4.200 . 5.000 3.647 3.222 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
410 1 27 PHE QD 1 62 PHE HZ 4.200 . 5.000 4.862 3.505 5.034 0.034 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
411 1 27 PHE QE 1 63 LYS QG 4.200 . 5.000 2.936 2.062 3.882 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
412 1 27 PHE QD 1 66 VAL MG1 4.200 . 5.000 2.317 1.907 3.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
413 1 27 PHE QD 1 66 VAL MG2 4.200 . 5.000 3.217 2.567 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
414 1 28 GLY QA 1 29 ARG HA 4.200 . 5.000 3.998 3.985 4.025 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
415 1 28 GLY H 1 29 ARG H 2.800 . 3.000 2.709 2.591 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
416 1 28 GLY QA 1 29 ARG H 3.500 . 4.000 2.769 2.701 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
417 1 28 GLY QA 1 31 GLN QB 3.500 . 4.000 3.215 2.886 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
418 1 29 ARG H 1 29 ARG QD 4.200 . 5.000 4.313 3.467 4.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
419 1 29 ARG H 1 30 MET QG 4.200 . 5.000 3.569 3.415 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
420 1 29 ARG HA 1 30 MET H 3.500 . 4.000 3.554 3.483 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
421 1 29 ARG H 1 30 MET H 2.800 . 3.000 2.531 2.341 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
422 1 29 ARG QD 1 30 MET H 4.200 . 5.000 4.775 4.375 5.041 0.041 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
423 1 29 ARG QG 1 30 MET H 4.200 . 5.000 4.277 3.716 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
424 1 29 ARG H 1 31 GLN H 4.200 . 5.000 4.099 3.816 4.329 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
425 1 29 ARG HA 1 32 GLN QB 3.500 . 4.000 2.628 2.286 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
426 1 29 ARG HA 1 32 GLN H 3.500 . 4.000 3.560 3.337 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
427 1 30 MET HA 1 31 GLN HA 4.200 . 5.000 4.761 4.722 4.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
428 1 30 MET HA 1 31 GLN H 3.500 . 4.000 3.558 3.533 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
429 1 30 MET H 1 31 GLN H 2.800 . 3.000 2.738 2.484 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
430 1 30 MET QB 1 31 GLN H 4.200 . 5.000 3.293 3.147 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
431 1 30 MET H 1 32 GLN H 4.200 . 5.000 4.061 3.871 4.224 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
432 1 30 MET HA 1 33 ALA MB 3.500 . 4.000 2.820 2.519 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
433 1 30 MET HA 1 33 ALA H 3.500 . 4.000 3.480 3.309 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
434 1 30 MET HA 1 34 TYR H 4.200 . 5.000 4.078 3.747 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
435 1 30 MET ME 1 59 TRP HE3 4.200 . 5.000 4.996 4.390 5.053 0.053 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
436 1 30 MET QB 1 59 TRP HH2 4.200 . 5.000 3.428 2.723 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
437 1 30 MET ME 1 59 TRP HH2 4.200 . 5.000 4.400 4.130 4.923 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
438 1 30 MET QB 1 59 TRP HZ3 4.200 . 5.000 2.366 1.883 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
439 1 30 MET ME 1 59 TRP HZ3 4.200 . 5.000 3.398 2.960 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
440 1 30 MET ME 1 62 PHE QD 4.200 . 5.000 4.566 4.185 4.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
441 1 30 MET ME 1 62 PHE HZ 4.200 . 5.000 1.951 1.841 2.110 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
442 1 31 GLN H 1 31 GLN HB3 2.800 . 3.000 2.734 2.521 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
443 1 31 GLN H 1 31 GLN HB2 2.800 . 3.000 2.369 2.224 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
444 1 31 GLN HA 1 31 GLN HB2 2.800 . 3.000 2.563 2.452 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
445 1 31 GLN HA 1 32 GLN H 4.200 . 5.000 3.524 3.497 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
446 1 31 GLN H 1 32 GLN H 2.800 . 3.000 2.631 2.511 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
447 1 31 GLN HB2 1 32 GLN H 3.500 . 4.000 3.768 3.586 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
448 1 31 GLN H 1 33 ALA H 4.200 . 5.000 4.127 3.926 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
449 1 31 GLN HA 1 34 TYR HA 4.200 . 5.000 4.993 4.905 5.036 0.036 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
450 1 31 GLN HA 1 34 TYR QB 3.500 . 4.000 2.334 2.215 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
451 1 31 GLN HA 1 34 TYR QD 4.200 . 5.000 4.292 4.135 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
452 1 31 GLN HG3 1 34 TYR QD 4.200 . 5.000 4.861 4.511 5.024 0.024 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
453 1 31 GLN HG2 1 34 TYR QD 4.200 . 5.000 4.873 4.538 5.031 0.031 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
454 1 31 GLN HA 1 34 TYR H 3.500 . 4.000 3.216 3.100 3.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
455 1 31 GLN HA 1 35 LYS H 4.200 . 5.000 4.023 3.673 4.581 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
456 1 31 GLN HA 1 59 TRP HH2 4.200 . 5.000 3.236 2.514 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
457 1 31 GLN QG 1 59 TRP HH2 4.200 . 5.000 3.653 3.249 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
458 1 31 GLN HB2 1 59 TRP HH2 4.200 . 5.000 2.727 1.988 3.175 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
459 1 31 GLN H 1 59 TRP HH2 4.200 . 5.000 3.178 2.712 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
460 1 31 GLN HA 1 59 TRP HZ2 4.200 . 5.000 3.339 2.714 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
461 1 31 GLN HB2 1 59 TRP HZ2 4.200 . 5.000 2.980 2.335 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
462 1 31 GLN H 1 59 TRP HZ2 4.200 . 5.000 4.676 4.164 5.046 0.046 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
463 1 31 GLN HA 1 59 TRP HZ3 4.200 . 5.000 4.431 3.720 4.894 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
464 1 32 GLN HA 1 33 ALA H 4.200 . 5.000 3.517 3.471 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
465 1 32 GLN HG3 1 33 ALA H 4.200 . 5.000 4.645 1.920 5.005 0.005 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
466 1 32 GLN HG2 1 33 ALA H 4.200 . 5.000 4.686 3.535 5.003 0.003 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
467 1 32 GLN HA 1 34 TYR H 4.200 . 5.000 4.542 4.160 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
468 1 32 GLN HA 1 35 LYS H 3.500 . 4.000 3.857 3.654 4.014 0.014 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
469 1 33 ALA HA 1 34 TYR H 4.200 . 5.000 3.531 3.481 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
470 1 33 ALA H 1 34 TYR H 2.800 . 3.000 2.479 2.357 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
471 1 33 ALA HA 1 36 GLN QB 3.500 . 4.000 2.347 1.975 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
472 1 33 ALA HA 1 36 GLN H 3.500 . 4.000 3.235 2.988 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
473 1 33 ALA HA 1 37 GLN H 4.200 . 5.000 3.968 3.560 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
474 1 34 TYR H 1 34 TYR HB3 2.800 . 3.000 2.560 2.436 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
475 1 34 TYR H 1 34 TYR HB2 2.800 . 3.000 2.527 2.419 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
476 1 34 TYR HA 1 34 TYR HB2 2.800 . 3.000 2.454 2.415 2.513 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
477 1 34 TYR QD 1 35 LYS HA 4.200 . 5.000 2.707 2.541 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
478 1 34 TYR QE 1 35 LYS QG 4.200 . 5.000 4.357 3.772 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
479 1 34 TYR HA 1 35 LYS H 4.200 . 5.000 3.545 3.515 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
480 1 34 TYR QD 1 35 LYS H 4.200 . 5.000 3.116 2.808 3.336 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
481 1 34 TYR HB3 1 35 LYS H 2.800 . 3.000 2.528 2.295 2.701 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
482 1 34 TYR H 1 35 LYS H 2.800 . 3.000 2.797 2.585 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
483 1 34 TYR HA 1 37 GLN QB 3.500 . 4.000 3.118 2.467 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
484 1 34 TYR HA 1 37 GLN H 3.500 . 4.000 3.660 3.336 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
485 1 34 TYR QE 1 38 SER QB 4.200 . 5.000 3.439 2.548 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
486 1 34 TYR QD 1 52 MET ME 4.200 . 5.000 4.517 3.783 5.014 0.014 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
487 1 34 TYR QE 1 52 MET ME 4.200 . 5.000 3.240 2.017 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
488 1 34 TYR QE 1 55 LEU HB3 4.200 . 5.000 3.981 3.216 4.429 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
489 1 34 TYR QE 1 55 LEU HB2 4.200 . 5.000 4.827 4.522 5.000 0.000 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
490 1 34 TYR HA 1 55 LEU MD1 4.200 . 5.000 3.912 2.755 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
491 1 34 TYR QD 1 55 LEU MD1 4.200 . 5.000 3.037 2.118 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
492 1 34 TYR QE 1 55 LEU MD1 4.200 . 5.000 3.223 2.391 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
493 1 34 TYR HA 1 55 LEU MD2 4.200 . 5.000 3.260 2.692 3.828 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
494 1 34 TYR QD 1 55 LEU MD2 4.200 . 5.000 3.256 2.799 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
495 1 34 TYR QE 1 55 LEU MD2 4.200 . 5.000 3.064 2.585 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
496 1 34 TYR QE 1 56 ASN HA 2.800 . 3.000 2.899 2.240 3.006 0.006 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
497 1 34 TYR QD 1 59 TRP HA 4.200 . 5.000 4.610 4.431 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
498 1 34 TYR QD 1 59 TRP QB 4.200 . 5.000 2.503 2.238 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
499 1 34 TYR QB 1 59 TRP HH2 4.200 . 5.000 4.458 4.048 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
500 1 34 TYR QD 1 62 PHE QD 4.200 . 5.000 5.084 5.018 5.128 0.128 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
501 1 35 LYS H 1 35 LYS HA 2.800 . 3.000 2.843 2.806 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
502 1 35 LYS HA 1 36 GLN H 4.200 . 5.000 3.513 3.474 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
503 1 35 LYS H 1 36 GLN H 2.800 . 3.000 2.545 2.383 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
504 1 35 LYS QB 1 36 GLN H 3.500 . 4.000 2.741 2.363 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
505 1 35 LYS HA 1 38 SER H 3.500 . 4.000 3.250 2.995 3.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
506 1 36 GLN H 1 36 GLN HA 2.800 . 3.000 2.826 2.793 2.869 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
507 1 36 GLN H 1 37 GLN QB 4.200 . 5.000 4.637 4.181 4.887 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
508 1 36 GLN H 1 37 GLN H 2.800 . 3.000 2.616 2.447 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
509 1 36 GLN HA 1 39 LEU H 3.500 . 4.000 3.883 3.403 4.027 0.027 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
510 1 37 GLN QB 1 38 SER H 2.800 . 3.000 3.008 2.867 3.052 0.052 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
511 1 37 GLN H 1 38 SER H 2.800 . 3.000 2.339 2.251 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
512 1 37 GLN HA 1 38 SER H 3.500 . 4.000 3.437 3.412 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
513 1 37 GLN QG 1 38 SER H 4.200 . 5.000 4.277 3.965 4.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
514 1 37 GLN HA 1 40 LEU QB 3.500 . 4.000 3.946 3.567 4.080 0.080 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
515 1 37 GLN HE21 1 40 LEU MD2 3.500 . 4.000 3.097 1.962 3.969 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
516 1 37 GLN HE22 1 40 LEU MD2 4.200 . 5.000 2.922 2.151 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
517 1 37 GLN HA 1 40 LEU H 3.500 . 4.000 3.331 3.141 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
518 1 37 GLN QB 1 41 LEU H 4.200 . 5.000 4.859 4.456 5.046 0.046 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
519 1 38 SER H 1 38 SER HA 2.800 . 3.000 2.845 2.788 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
520 1 38 SER HA 1 39 LEU HA 4.200 . 5.000 4.756 4.678 4.822 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
521 1 38 SER HB2 1 39 LEU HA 4.200 . 5.000 4.656 4.113 4.972 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
522 1 38 SER QB 1 39 LEU HG 4.200 . 5.000 4.258 3.480 5.010 0.010 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
523 1 38 SER HA 1 39 LEU H 4.200 . 5.000 3.485 3.439 3.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
524 1 38 SER QB 1 39 LEU H 3.500 . 4.000 3.045 2.631 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
525 1 38 SER H 1 39 LEU H 2.800 . 3.000 2.507 2.401 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
526 1 38 SER HA 1 40 LEU H 4.200 . 5.000 4.245 3.899 4.682 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
527 1 38 SER HA 1 41 LEU H 4.200 . 5.000 3.331 3.105 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
528 1 38 SER HB3 1 52 MET ME 4.200 . 5.000 3.010 1.997 3.915 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
529 1 38 SER HB2 1 52 MET ME 4.200 . 5.000 3.543 1.950 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
530 1 38 SER HA 1 52 MET ME 4.200 . 5.000 2.659 1.972 3.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
531 1 38 SER HA 1 55 LEU MD2 4.200 . 5.000 3.388 2.604 4.163 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
532 1 38 SER H 1 55 LEU MD2 4.200 . 5.000 4.063 3.419 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
533 1 38 SER QB 1 55 LEU MD2 4.200 . 5.000 3.769 2.218 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
534 1 39 LEU H 1 39 LEU HA 2.800 . 3.000 2.844 2.803 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
535 1 39 LEU H 1 39 LEU MD1 3.500 . 4.000 3.599 2.703 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
536 1 39 LEU H 1 40 LEU H 2.800 . 3.000 2.560 2.378 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
537 1 39 LEU H 1 41 LEU H 4.200 . 5.000 3.810 3.668 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
538 1 39 LEU HA 1 42 HIS QB 4.200 . 5.000 2.922 2.445 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
539 1 39 LEU QD 1 45 LYS QD 4.200 . 5.000 3.879 2.669 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
540 1 39 LEU MD1 1 45 LYS QE 4.200 . 5.000 4.694 3.839 5.041 0.041 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
541 1 39 LEU QD 1 45 LYS HG3 4.200 . 5.000 3.971 2.408 5.059 0.059 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
542 1 39 LEU QD 1 45 LYS HG2 4.200 . 5.000 3.895 3.107 4.990 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
543 1 40 LEU HA 1 41 LEU H 3.500 . 4.000 3.400 3.341 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
544 1 40 LEU H 1 41 LEU H 2.800 . 3.000 2.365 2.262 2.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
545 1 40 LEU MD2 1 41 LEU H 4.200 . 5.000 4.332 3.772 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
546 1 40 LEU HA 1 42 HIS QB 4.200 . 5.000 4.521 4.277 4.736 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
547 1 40 LEU HA 1 42 HIS H 4.200 . 5.000 3.601 3.376 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
548 1 40 LEU HA 1 45 LYS HB2 4.200 . 5.000 2.914 2.028 3.503 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
549 1 40 LEU HA 1 45 LYS QD 4.200 . 5.000 4.560 3.863 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
550 1 40 LEU HA 1 45 LYS HG3 4.200 . 5.000 4.149 2.859 5.022 0.022 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
551 1 40 LEU HA 1 45 LYS HG2 4.200 . 5.000 4.184 2.854 5.026 0.026 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
552 1 41 LEU H 1 42 HIS HB3 4.200 . 5.000 4.904 4.687 5.030 0.030 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
553 1 41 LEU H 1 42 HIS HB2 4.200 . 5.000 4.137 3.949 4.342 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
554 1 41 LEU HG 1 42 HIS H 4.200 . 5.000 4.888 4.451 5.022 0.022 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
555 1 41 LEU HA 1 42 HIS H 3.500 . 4.000 3.236 2.999 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
556 1 41 LEU H 1 42 HIS H 2.800 . 3.000 2.408 2.168 2.721 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
557 1 41 LEU HA 1 47 GLY QA 4.200 . 5.000 2.626 1.946 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
558 1 41 LEU MD2 1 47 GLY HA3 4.200 . 5.000 3.861 2.951 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
559 1 41 LEU MD2 1 47 GLY HA2 4.200 . 5.000 4.025 2.623 4.954 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
560 1 41 LEU MD2 1 48 SER HB3 4.200 . 5.000 4.752 3.554 5.020 0.020 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
561 1 41 LEU MD2 1 48 SER H 4.200 . 5.000 3.182 2.118 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
562 1 41 LEU MD1 1 52 MET HB2 4.200 . 5.000 4.485 3.781 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
563 1 41 LEU HB3 1 52 MET QG 4.200 . 5.000 3.094 1.927 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
564 1 41 LEU HB2 1 52 MET QG 4.200 . 5.000 3.407 1.998 4.842 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
565 1 41 LEU MD1 1 52 MET QG 4.200 . 5.000 3.815 2.332 4.882 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
566 1 41 LEU MD1 1 52 MET H 4.200 . 5.000 4.316 3.569 5.006 0.006 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
567 1 42 HIS H 1 43 PRO QD 4.200 . 5.000 4.349 4.249 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
568 1 42 HIS HA 1 43 PRO HD3 2.800 . 3.000 2.260 2.032 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
569 1 42 HIS QB 1 43 PRO HD3 4.200 . 5.000 4.222 4.004 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
570 1 42 HIS H 1 43 PRO HD3 4.200 . 5.000 4.876 4.595 5.055 0.055 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
571 1 42 HIS HA 1 43 PRO HD2 2.800 . 3.000 2.283 2.005 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
572 1 42 HIS QB 1 43 PRO HD2 4.200 . 5.000 3.504 3.229 3.862 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
573 1 42 HIS H 1 43 PRO HD2 4.200 . 5.000 4.917 4.740 5.064 0.064 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
574 1 42 HIS HA 1 43 PRO HG3 4.200 . 5.000 4.376 4.233 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
575 1 42 HIS HA 1 43 PRO HG2 4.200 . 5.000 4.386 4.198 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
576 1 42 HIS QB 1 44 ASP QB 4.200 . 5.000 3.403 3.044 4.107 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
577 1 42 HIS QB 1 45 LYS HB3 4.200 . 5.000 4.551 3.786 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
578 1 42 HIS H 1 45 LYS QG 4.200 . 5.000 4.270 3.222 4.976 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
579 1 43 PRO QB 1 44 ASP HA 4.200 . 5.000 3.976 3.769 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
580 1 43 PRO HA 1 44 ASP H 4.200 . 5.000 3.475 3.365 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
581 1 43 PRO QB 1 44 ASP H 4.200 . 5.000 3.137 2.151 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
582 1 43 PRO HD3 1 44 ASP H 4.200 . 5.000 4.167 4.015 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
583 1 43 PRO HA 1 45 LYS H 4.200 . 5.000 3.993 3.600 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
584 1 43 PRO HA 1 47 GLY H 4.200 . 5.000 2.812 2.244 5.006 0.006 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
585 1 43 PRO HD2 1 52 MET QG 4.200 . 5.000 4.272 3.642 5.001 0.001 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
586 1 43 PRO HD3 1 52 MET QG 4.200 . 5.000 3.645 2.742 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
587 1 44 ASP QB 1 45 LYS QD 4.200 . 5.000 2.881 1.904 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
588 1 44 ASP H 1 45 LYS QE 4.200 . 5.000 4.760 3.945 5.022 0.022 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
589 1 44 ASP QB 1 45 LYS HG3 4.200 . 5.000 4.291 3.554 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
590 1 44 ASP QB 1 45 LYS HG2 4.200 . 5.000 3.835 2.467 5.012 0.012 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
591 1 44 ASP HA 1 45 LYS H 4.200 . 5.000 3.432 3.369 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
592 1 44 ASP H 1 45 LYS H 4.200 . 5.000 2.406 2.195 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
593 1 44 ASP QB 1 45 LYS H 3.500 . 4.000 3.075 2.885 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
594 1 45 LYS H 1 46 GLY H 4.200 . 5.000 2.692 2.499 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
595 1 45 LYS HA 1 46 GLY H 2.800 . 3.000 2.928 2.904 3.006 0.006 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
596 1 45 LYS HB3 1 46 GLY H 4.200 . 5.000 4.457 4.281 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
597 1 46 GLY QA 1 47 GLY HA3 4.200 . 5.000 4.412 4.124 4.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
598 1 46 GLY QA 1 47 GLY HA2 4.200 . 5.000 4.008 3.938 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
599 1 46 GLY H 1 47 GLY H 3.500 . 4.000 2.852 2.494 4.017 0.017 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
600 1 46 GLY QA 1 47 GLY H 3.500 . 4.000 2.621 2.165 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
601 1 47 GLY QA 1 48 SER H 2.800 . 3.000 2.251 2.119 2.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
602 1 47 GLY H 1 48 SER H 4.200 . 5.000 4.489 4.089 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
603 1 47 GLY QA 1 51 LEU MD1 4.200 . 5.000 4.823 4.027 5.036 0.036 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
604 1 48 SER HA 1 48 SER HB2 2.800 . 3.000 2.939 2.905 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
605 1 48 SER HA 1 49 HIS H 4.200 . 5.000 2.279 2.137 2.426 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
606 1 48 SER HB3 1 51 LEU HB3 4.200 . 5.000 4.542 3.729 4.961 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
607 1 48 SER H 1 51 LEU HB3 4.200 . 5.000 4.503 3.795 5.005 0.005 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
608 1 48 SER HB2 1 51 LEU HB2 4.200 . 5.000 2.657 2.066 3.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
609 1 48 SER HB3 1 51 LEU HB2 4.200 . 5.000 2.809 1.987 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
610 1 48 SER HA 1 51 LEU MD1 4.200 . 5.000 4.335 4.110 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
611 1 48 SER HB3 1 51 LEU MD1 4.200 . 5.000 2.296 1.883 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
612 1 48 SER HB2 1 51 LEU MD1 4.200 . 5.000 2.001 1.849 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
613 1 48 SER H 1 51 LEU MD1 4.200 . 5.000 3.486 2.722 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
614 1 48 SER HB2 1 51 LEU MD2 4.200 . 5.000 3.574 2.216 4.763 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
615 1 48 SER HB3 1 51 LEU HG 4.200 . 5.000 4.453 2.970 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
616 1 48 SER HB3 1 51 LEU H 3.500 . 4.000 2.472 2.109 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
617 1 49 HIS QB 1 50 ALA HA 4.200 . 5.000 3.936 3.680 4.368 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
618 1 49 HIS QB 1 50 ALA MB 4.200 . 5.000 3.952 3.579 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
619 1 49 HIS HA 1 50 ALA H 4.200 . 5.000 3.530 3.452 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
620 1 49 HIS QB 1 50 ALA H 3.500 . 4.000 2.769 2.113 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
621 1 49 HIS HA 1 52 MET HB2 4.200 . 5.000 3.433 2.666 4.202 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
622 1 49 HIS HA 1 52 MET QG 4.200 . 5.000 4.611 4.115 4.939 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
623 1 49 HIS HA 1 52 MET H 4.200 . 5.000 3.565 3.244 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
624 1 50 ALA MB 1 51 LEU HB2 4.200 . 5.000 4.420 4.204 4.567 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
625 1 50 ALA MB 1 51 LEU MD1 4.200 . 5.000 3.457 2.837 5.003 0.003 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
626 1 50 ALA MB 1 51 LEU H 3.500 . 4.000 2.857 2.432 3.059 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
627 1 50 ALA HA 1 51 LEU H 3.500 . 4.000 3.484 3.432 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
628 1 50 ALA H 1 51 LEU H 2.800 . 3.000 2.652 2.412 2.825 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
629 1 50 ALA HA 1 53 GLN QB 4.200 . 5.000 3.544 2.406 4.272 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
630 1 50 ALA HA 1 53 GLN QG 4.200 . 5.000 2.421 1.894 3.218 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
631 1 50 ALA MB 1 53 GLN HG3 4.200 . 5.000 4.302 3.667 5.010 0.010 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
632 1 50 ALA MB 1 53 GLN HG2 4.200 . 5.000 4.246 3.616 5.022 0.022 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
633 1 50 ALA HA 1 53 GLN H 4.200 . 5.000 3.752 3.419 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
634 1 50 ALA HA 1 54 GLU H 4.200 . 5.000 4.283 3.812 4.741 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
635 1 51 LEU H 1 51 LEU MD1 4.200 . 5.000 2.700 2.063 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
636 1 51 LEU H 1 51 LEU MD2 4.200 . 5.000 4.230 3.830 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
637 1 51 LEU HA 1 52 MET H 3.500 . 4.000 3.561 3.547 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
638 1 51 LEU H 1 52 MET H 2.800 . 3.000 2.633 2.412 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
639 1 51 LEU HB3 1 52 MET H 2.800 . 3.000 2.979 2.764 3.024 0.024 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
640 1 51 LEU HB2 1 52 MET H 2.800 . 3.000 2.677 2.539 2.760 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
641 1 51 LEU HA 1 53 GLN H 4.200 . 5.000 4.336 3.906 4.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
642 1 51 LEU MD1 1 54 GLU QB 4.200 . 5.000 4.857 4.455 5.018 0.018 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
643 1 51 LEU HA 1 54 GLU HB3 4.200 . 5.000 3.492 2.702 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
644 1 51 LEU HA 1 54 GLU HB2 4.200 . 5.000 2.708 2.237 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
645 1 51 LEU HA 1 54 GLU H 3.500 . 4.000 3.394 3.103 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
646 1 51 LEU H 1 54 GLU H 4.200 . 5.000 4.616 4.457 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
647 1 51 LEU HA 1 55 LEU H 4.200 . 5.000 4.199 3.734 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
648 1 52 MET HA 1 52 MET HB3 2.800 . 3.000 2.948 2.752 3.020 0.020 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
649 1 52 MET H 1 53 GLN H 2.800 . 3.000 2.768 2.574 2.933 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
650 1 52 MET QG 1 53 GLN H 4.200 . 5.000 4.248 3.419 4.703 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
651 1 52 MET ME 1 53 GLN H 4.200 . 5.000 4.730 4.294 5.003 0.003 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
652 1 52 MET HB2 1 53 GLN H 4.200 . 5.000 3.570 2.997 4.027 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
653 1 52 MET ME 1 55 LEU MD2 4.200 . 5.000 2.439 1.855 3.841 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
654 1 52 MET ME 1 55 LEU H 4.200 . 5.000 4.241 3.547 4.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
655 1 52 MET QG 1 56 ASN HD21 4.200 . 5.000 4.008 2.240 4.821 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
656 1 52 MET ME 1 56 ASN HD21 4.200 . 5.000 2.601 1.882 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
657 1 52 MET QG 1 56 ASN HD22 4.200 . 5.000 4.523 2.472 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
658 1 52 MET ME 1 56 ASN HD22 4.200 . 5.000 2.864 1.898 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
659 1 53 GLN H 1 53 GLN HG2 3.500 . 4.000 2.459 1.942 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
660 1 53 GLN H 1 54 GLU H 2.800 . 3.000 2.509 2.324 2.722 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
661 1 53 GLN HA 1 56 ASN QB 3.500 . 4.000 2.694 2.284 4.062 0.062 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
662 1 53 GLN HA 1 56 ASN QD 4.200 . 5.000 3.496 1.797 4.623 0.003 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
663 1 54 GLU QB 1 55 LEU H 2.800 . 3.000 2.541 2.284 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
664 1 54 GLU H 1 55 LEU H 2.800 . 3.000 2.659 2.423 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
665 1 55 LEU HA 1 55 LEU HB3 2.800 . 3.000 3.001 2.981 3.010 0.010 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
666 1 55 LEU H 1 55 LEU HB3 2.800 . 3.000 2.512 2.293 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
667 1 55 LEU H 1 55 LEU HB2 2.800 . 3.000 2.475 2.142 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
668 1 55 LEU H 1 55 LEU MD1 4.200 . 5.000 3.974 3.484 4.325 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
669 1 55 LEU HB3 1 55 LEU MD2 2.800 . 3.000 2.185 1.944 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
670 1 55 LEU H 1 55 LEU MD2 3.500 . 4.000 4.053 4.030 4.097 0.097 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
671 1 55 LEU MD1 1 56 ASN H 4.200 . 5.000 4.559 4.242 4.807 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
672 1 55 LEU MD2 1 56 ASN H 4.200 . 5.000 4.147 3.474 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
673 1 55 LEU H 1 57 SER H 4.200 . 5.000 4.095 3.873 4.459 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
674 1 55 LEU MD1 1 59 TRP HA 4.200 . 5.000 4.914 4.658 5.012 0.012 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
675 1 55 LEU MD1 1 59 TRP QB 4.200 . 5.000 3.216 2.946 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
676 1 55 LEU HA 1 59 TRP H 4.200 . 5.000 4.030 3.709 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
677 1 55 LEU MD1 1 59 TRP H 4.200 . 5.000 4.302 3.912 4.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
678 1 56 ASN HA 1 57 SER H 3.500 . 4.000 3.509 3.459 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
679 1 56 ASN HB3 1 57 SER H 3.500 . 4.000 3.248 2.595 4.015 0.015 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
680 1 56 ASN HB2 1 57 SER H 3.500 . 4.000 3.162 2.771 3.689 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
681 1 56 ASN H 1 57 SER H 2.800 . 3.000 2.667 2.546 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
682 1 56 ASN HA 1 59 TRP H 4.200 . 5.000 3.456 3.136 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
683 1 56 ASN HA 1 60 GLY H 4.200 . 5.000 3.980 3.564 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
684 1 57 SER HA 1 58 LEU H 4.200 . 5.000 3.518 3.471 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
685 1 57 SER HA 1 60 GLY H 4.200 . 5.000 3.437 3.208 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
686 1 58 LEU H 1 58 LEU HB2 2.800 . 3.000 2.274 2.167 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
687 1 58 LEU HA 1 59 TRP H 4.200 . 5.000 3.474 3.448 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
688 1 58 LEU H 1 59 TRP H 2.800 . 3.000 2.425 2.262 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
689 1 58 LEU HB3 1 59 TRP H 4.200 . 5.000 3.695 3.528 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
690 1 58 LEU HB2 1 59 TRP H 4.200 . 5.000 3.036 2.857 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
691 1 58 LEU MD2 1 59 TRP H 4.200 . 5.000 4.876 4.617 5.033 0.033 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
692 1 58 LEU MD1 1 59 TRP H 4.200 . 5.000 4.684 4.414 4.946 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
693 1 58 LEU HA 1 60 GLY H 4.200 . 5.000 4.080 3.713 4.298 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
694 1 59 TRP HA 1 59 TRP HE3 3.500 . 4.000 2.668 2.400 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
695 1 59 TRP HA 1 60 GLY H 4.200 . 5.000 3.434 3.349 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
696 1 59 TRP H 1 60 GLY H 2.800 . 3.000 2.240 2.194 2.342 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
697 1 59 TRP QB 1 60 GLY H 3.500 . 4.000 3.041 2.902 3.245 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
698 1 59 TRP HA 1 62 PHE QB 3.500 . 4.000 2.165 2.099 2.227 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
699 1 59 TRP HE3 1 62 PHE QD 4.200 . 5.000 1.889 1.805 1.964 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
700 1 59 TRP HH2 1 62 PHE QE 4.200 . 5.000 4.092 3.921 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
701 1 59 TRP HA 1 62 PHE H 3.500 . 4.000 3.939 3.847 4.038 0.038 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
702 1 59 TRP HE3 1 62 PHE HZ 4.200 . 5.000 5.048 5.019 5.086 0.086 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
703 1 59 TRP HZ3 1 62 PHE HZ 3.500 . 4.000 3.778 3.453 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
704 1 59 TRP HD1 1 63 LYS QD 4.200 . 5.000 4.041 3.722 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
705 1 59 TRP HE1 1 63 LYS QD 4.200 . 5.000 2.703 2.226 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
706 1 59 TRP HZ2 1 63 LYS QD 4.200 . 5.000 3.641 3.317 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
707 1 59 TRP HD1 1 63 LYS QE 4.200 . 5.000 2.358 2.000 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
708 1 59 TRP HE3 1 63 LYS QE 4.200 . 5.000 4.982 4.662 5.077 0.077 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
709 1 59 TRP H 1 63 LYS QE 4.200 . 5.000 5.102 5.057 5.176 0.176 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
710 1 59 TRP HE1 1 63 LYS HE3 4.200 . 5.000 3.887 3.100 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
711 1 59 TRP HE1 1 63 LYS HE2 4.200 . 5.000 2.552 2.049 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
712 1 59 TRP HE3 1 63 LYS QG 4.200 . 5.000 4.892 4.643 5.012 0.012 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
713 1 60 GLY H 1 61 THR H 3.500 . 4.000 2.795 2.535 2.993 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
714 1 60 GLY QA 1 61 THR H 3.500 . 4.000 2.514 2.458 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
715 1 60 GLY QA 1 62 PHE H 4.200 . 5.000 4.070 3.968 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
716 1 60 GLY HA3 1 63 LYS HB3 4.200 . 5.000 5.028 4.876 5.057 0.057 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
717 1 60 GLY HA2 1 63 LYS HB3 4.200 . 5.000 3.520 3.355 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
718 1 60 GLY HA3 1 63 LYS HB2 4.200 . 5.000 4.099 3.944 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
719 1 60 GLY HA2 1 63 LYS HB2 4.200 . 5.000 2.516 2.345 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
720 1 60 GLY QA 1 63 LYS QD 4.200 . 5.000 3.908 3.676 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
721 1 60 GLY HA3 1 63 LYS HE3 4.200 . 5.000 3.773 3.569 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
722 1 60 GLY HA2 1 63 LYS HE3 4.200 . 5.000 2.088 1.832 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
723 1 60 GLY HA3 1 63 LYS HE2 4.200 . 5.000 4.732 4.278 5.031 0.031 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
724 1 60 GLY HA2 1 63 LYS HE2 4.200 . 5.000 3.176 2.657 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
725 1 60 GLY QA 1 63 LYS H 4.200 . 5.000 3.351 3.219 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
726 1 60 GLY QA 1 64 THR H 4.200 . 5.000 4.191 3.963 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
727 1 61 THR HA 1 61 THR HB 2.800 . 3.000 2.708 2.687 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
728 1 61 THR H 1 61 THR HB 2.800 . 3.000 2.146 2.119 2.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
729 1 61 THR HB 1 62 PHE H 2.800 . 3.000 3.202 3.167 3.240 0.240 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
730 1 61 THR H 1 62 PHE H 2.800 . 3.000 2.646 2.588 2.715 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
731 1 61 THR MG 1 62 PHE H 2.800 . 3.000 1.880 1.810 1.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
732 1 61 THR HA 1 62 PHE H 4.200 . 5.000 3.483 3.459 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
733 1 61 THR HA 1 64 THR HB 3.500 . 4.000 3.265 2.838 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
734 1 61 THR HA 1 64 THR H 4.200 . 5.000 3.241 3.132 3.425 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
735 1 61 THR MG 1 65 GLU HG3 4.200 . 5.000 4.220 3.537 5.045 0.045 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
736 1 61 THR MG 1 65 GLU HG2 4.200 . 5.000 4.318 3.831 4.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
737 1 61 THR MG 1 65 GLU H 4.200 . 5.000 4.772 4.417 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
738 1 62 PHE H 1 62 PHE HB3 2.800 . 3.000 2.483 2.397 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
739 1 62 PHE H 1 62 PHE HB2 2.800 . 3.000 2.472 2.434 2.562 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
740 1 62 PHE QB 1 63 LYS HB3 4.200 . 5.000 5.124 5.096 5.153 0.153 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
741 1 62 PHE QD 1 63 LYS QG 4.200 . 5.000 4.622 4.313 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
742 1 62 PHE HA 1 63 LYS H 4.200 . 5.000 3.515 3.501 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
743 1 62 PHE HB3 1 63 LYS H 3.500 . 4.000 2.212 2.110 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
744 1 62 PHE HB2 1 63 LYS H 3.500 . 4.000 3.650 3.583 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
745 1 62 PHE H 1 64 THR H 4.200 . 5.000 4.119 3.987 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
746 1 62 PHE HA 1 64 THR H 4.200 . 5.000 4.351 4.174 4.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
747 1 62 PHE HA 1 65 GLU QB 3.500 . 4.000 3.775 3.338 4.040 0.040 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
748 1 62 PHE HA 1 65 GLU H 4.200 . 5.000 3.748 3.555 3.902 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
749 1 62 PHE HZ 1 66 VAL MG1 4.200 . 5.000 4.871 4.098 5.037 0.037 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
750 1 62 PHE HA 1 66 VAL MG2 4.200 . 5.000 3.908 3.723 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
751 1 62 PHE QD 1 66 VAL MG2 4.200 . 5.000 2.892 2.375 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
752 1 62 PHE QE 1 66 VAL MG2 4.200 . 5.000 2.888 2.448 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
753 1 62 PHE HZ 1 66 VAL MG2 4.200 . 5.000 3.333 2.825 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
754 1 62 PHE HA 1 66 VAL H 4.200 . 5.000 4.539 4.317 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
755 1 63 LYS HA 1 63 LYS QD 4.200 . 5.000 4.048 4.005 4.079 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
756 1 63 LYS HA 1 63 LYS QE 4.200 . 5.000 4.099 4.019 4.219 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
757 1 63 LYS HB3 1 64 THR H 4.200 . 5.000 2.908 2.676 3.158 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
758 1 63 LYS HB2 1 64 THR H 4.200 . 5.000 3.254 3.104 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
759 1 63 LYS H 1 64 THR H 3.500 . 4.000 2.775 2.686 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
760 1 63 LYS HA 1 64 THR H 4.200 . 5.000 3.548 3.520 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
761 1 63 LYS HA 1 66 VAL HA 3.500 . 4.000 4.184 4.159 4.216 0.216 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
762 1 63 LYS HA 1 66 VAL HB 3.500 . 4.000 1.794 1.743 1.886 0.057 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
763 1 63 LYS HA 1 66 VAL MG1 4.200 . 5.000 3.234 3.157 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
764 1 63 LYS HA 1 66 VAL MG2 4.200 . 5.000 1.901 1.824 1.968 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
765 1 63 LYS HA 1 66 VAL H 4.200 . 5.000 2.689 2.585 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
766 1 64 THR H 1 64 THR MG 3.500 . 4.000 3.757 3.653 3.771 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
767 1 64 THR HB 1 65 GLU H 3.500 . 4.000 2.660 2.504 2.740 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
768 1 64 THR MG 1 65 GLU H 4.200 . 5.000 3.661 3.475 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
769 1 64 THR HA 1 65 GLU H 4.200 . 5.000 3.497 3.484 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
770 1 64 THR H 1 65 GLU H 2.800 . 3.000 2.738 2.678 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
771 1 64 THR HA 1 66 VAL H 4.200 . 5.000 4.358 4.132 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
772 1 64 THR HA 1 67 TYR QB 3.500 . 4.000 3.677 3.304 4.067 0.067 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
773 1 64 THR HA 1 67 TYR H 4.200 . 5.000 4.015 3.844 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
774 1 64 THR MG 1 68 ASN QB 4.200 . 5.000 4.976 4.265 5.030 0.030 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
775 1 64 THR MG 1 68 ASN HD21 3.500 . 4.000 3.900 3.490 4.056 0.056 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
776 1 64 THR MG 1 68 ASN HD22 4.200 . 5.000 4.338 3.741 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
777 1 65 GLU QB 1 66 VAL HA 4.200 . 5.000 3.885 3.793 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
778 1 65 GLU HG3 1 66 VAL MG2 4.200 . 5.000 4.856 2.765 5.034 0.034 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
779 1 65 GLU HG2 1 66 VAL MG2 4.200 . 5.000 4.960 4.163 5.033 0.033 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
780 1 65 GLU QB 1 66 VAL MG2 4.200 . 5.000 3.506 3.261 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
781 1 65 GLU QB 1 66 VAL H 3.500 . 4.000 2.852 2.733 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
782 1 65 GLU HA 1 66 VAL H 3.500 . 4.000 3.486 3.425 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
783 1 65 GLU HA 1 68 ASN QB 3.500 . 4.000 3.047 2.397 4.012 0.012 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
784 1 66 VAL H 1 66 VAL MG2 2.800 . 3.000 2.138 2.057 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
785 1 66 VAL MG1 1 67 TYR HA 4.200 . 5.000 3.411 3.093 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
786 1 66 VAL HB 1 67 TYR HA 4.200 . 5.000 4.382 4.267 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
787 1 66 VAL MG1 1 67 TYR QD 4.200 . 5.000 4.128 3.017 5.040 0.040 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
788 1 66 VAL H 1 67 TYR H 2.800 . 3.000 2.802 2.674 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
789 1 66 VAL MG2 1 67 TYR H 4.200 . 5.000 3.920 3.743 4.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
790 1 66 VAL MG1 1 67 TYR H 4.200 . 5.000 3.360 2.989 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
791 1 66 VAL HA 1 69 LEU HB3 3.500 . 4.000 2.367 2.194 2.705 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
792 1 66 VAL MG1 1 69 LEU HB3 4.200 . 5.000 4.086 3.872 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
793 1 66 VAL HA 1 69 LEU HB2 3.500 . 4.000 3.858 3.728 4.011 0.011 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
794 1 66 VAL MG2 1 69 LEU HB2 4.200 . 5.000 5.017 4.897 5.060 0.060 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
795 1 66 VAL MG1 1 69 LEU MD1 4.200 . 5.000 3.849 3.272 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
796 1 66 VAL HB 1 69 LEU MD2 4.200 . 5.000 3.749 3.654 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
797 1 66 VAL MG2 1 69 LEU MD2 4.200 . 5.000 2.397 1.913 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
798 1 66 VAL H 1 69 LEU MD2 4.200 . 5.000 4.043 3.791 4.202 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
799 1 66 VAL HA 1 69 LEU HG 4.200 . 5.000 3.068 2.127 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
800 1 66 VAL MG1 1 69 LEU HG 4.200 . 5.000 3.111 2.555 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
801 1 66 VAL HA 1 69 LEU H 4.200 . 5.000 3.129 2.908 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
802 1 66 VAL MG1 1 70 ARG QB 4.200 . 5.000 4.835 3.915 5.026 0.026 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
803 1 66 VAL MG1 1 70 ARG QD 4.200 . 5.000 3.951 2.463 4.943 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
804 1 66 VAL MG1 1 70 ARG QG 4.200 . 5.000 3.797 2.854 5.014 0.014 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
805 1 67 TYR QB 1 68 ASN H 3.500 . 4.000 2.838 2.611 3.550 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
806 1 67 TYR HA 1 68 ASN H 4.200 . 5.000 3.494 3.455 3.540 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
807 1 67 TYR HA 1 70 ARG QB 4.200 . 5.000 4.227 3.409 5.007 0.007 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
808 1 67 TYR HA 1 70 ARG QG 4.200 . 5.000 4.371 2.482 4.999 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
809 1 68 ASN H 1 69 LEU HG 4.200 . 5.000 4.804 4.435 5.020 0.020 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
810 1 68 ASN HA 1 69 LEU H 3.500 . 4.000 3.441 3.375 3.493 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
811 1 68 ASN QB 1 69 LEU H 4.200 . 5.000 3.293 2.955 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
812 1 69 LEU HA 1 69 LEU HB3 2.800 . 3.000 2.623 2.584 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
813 1 69 LEU HA 1 69 LEU HB2 2.800 . 3.000 2.290 2.280 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
814 1 69 LEU HA 1 69 LEU MD1 3.500 . 4.000 3.309 3.211 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
815 1 69 LEU HB3 1 69 LEU MD2 2.800 . 3.000 2.117 2.024 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
816 1 69 LEU HB2 1 69 LEU MD1 2.800 . 3.000 2.177 2.084 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
817 1 69 LEU H 1 69 LEU HB3 2.800 . 3.000 2.258 2.219 2.363 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
818 1 69 LEU QD 1 70 ARG QB 4.200 . 5.000 3.480 2.741 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
819 1 69 LEU MD2 1 70 ARG QD 4.200 . 5.000 4.211 2.999 4.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
820 1 69 LEU HA 1 72 ASN HB3 4.200 . 5.000 4.670 2.994 5.018 0.018 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
821 1 69 LEU HA 1 72 ASN HB2 4.200 . 5.000 3.134 2.442 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
822 1 70 ARG HA 1 71 MET H 2.800 . 3.000 3.190 3.178 3.200 0.200 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
823 1 71 MET HA 1 71 MET HB3 2.800 . 3.000 2.556 2.371 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
824 1 71 MET H 1 71 MET HB2 2.800 . 3.000 2.491 2.299 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
825 1 71 MET HA 1 72 ASN H 3.500 . 4.000 3.475 3.039 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
826 1 71 MET H 1 72 ASN H 3.500 . 4.000 2.063 1.888 2.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
827 1 72 ASN HB3 1 73 LEU HA 4.200 . 5.000 4.574 3.977 5.122 0.122 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
828 1 72 ASN HB2 1 73 LEU HA 4.200 . 5.000 4.852 4.376 5.169 0.169 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
829 1 72 ASN QB 1 73 LEU H 4.200 . 5.000 3.026 1.944 3.918 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
830 1 73 LEU H 1 73 LEU MD2 4.200 . 5.000 4.004 2.075 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
831 1 73 LEU HA 1 74 GLY H 3.500 . 4.000 3.038 2.228 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
832 1 73 LEU QB 1 74 GLY H 4.200 . 5.000 3.176 1.937 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
833 1 73 LEU H 1 74 GLY H 3.500 . 4.000 2.850 1.845 4.053 0.053 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
834 1 75 GLY QA 1 76 THR H 3.500 . 4.000 2.378 2.109 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
835 1 76 THR HA 1 77 GLY H 3.500 . 4.000 2.300 2.136 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
836 1 76 THR HA 1 78 PHE H 4.200 . 5.000 4.265 3.455 5.003 0.003 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
837 1 77 GLY QA 1 78 PHE H 4.200 . 5.000 2.602 2.176 2.916 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
838 1 78 PHE HA 1 79 GLN H 2.800 . 3.000 2.264 2.120 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 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 24
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 56.255
_Distance_constraint_stats_list.Viol_max 0.055
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_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 7 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 LYS 0.502 0.055 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 ARG 0.290 0.042 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 LEU 0.502 0.055 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 LEU 0.290 0.042 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 GLY 0.299 0.024 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 ARG 0.032 0.032 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 MET 0.023 0.023 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 GLN 0.318 0.024 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 ALA 0.036 0.032 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 TYR 0.023 0.023 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 GLN 0.019 0.010 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 37 GLN 0.004 0.004 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 LEU 0.007 0.007 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 MET 0.020 0.018 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 LEU 0.007 0.007 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 ASN 0.020 0.018 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 59 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ARG O 1 11 GLU N 3.300 2.500 3.500 2.942 2.677 3.308 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
2 1 7 ARG O 1 11 GLU H 2.300 . 2.500 2.108 1.776 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
3 1 10 LYS O 1 14 LEU N 3.300 2.500 3.500 3.228 2.925 3.439 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
4 1 10 LYS O 1 14 LEU H 2.300 . 2.500 2.399 2.066 2.555 0.055 6 0 "[ . 1 . 2 . 3 . 4 . ]" 2
5 1 12 ARG O 1 16 LEU N 3.300 2.500 3.500 3.396 3.238 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
6 1 12 ARG O 1 16 LEU H 2.300 . 2.500 2.491 2.406 2.542 0.042 34 0 "[ . 1 . 2 . 3 . 4 . ]" 2
7 1 27 PHE O 1 31 GLN N 3.300 2.500 3.500 2.971 2.668 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
8 1 27 PHE O 1 31 GLN H 2.300 . 2.500 2.034 1.735 2.318 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
9 1 28 GLY O 1 32 GLN N 3.300 2.500 3.500 3.314 3.123 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
10 1 28 GLY O 1 32 GLN H 2.300 . 2.500 2.487 2.312 2.524 0.024 35 0 "[ . 1 . 2 . 3 . 4 . ]" 2
11 1 29 ARG O 1 33 ALA N 3.300 2.500 3.500 3.084 2.729 3.338 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
12 1 29 ARG O 1 33 ALA H 2.300 . 2.500 2.219 1.854 2.532 0.032 32 0 "[ . 1 . 2 . 3 . 4 . ]" 2
13 1 30 MET O 1 34 TYR N 3.300 2.500 3.500 2.786 2.565 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
14 1 30 MET O 1 34 TYR H 2.300 . 2.500 1.872 1.677 2.138 0.023 14 0 "[ . 1 . 2 . 3 . 4 . ]" 2
15 1 32 GLN O 1 36 GLN N 3.300 2.500 3.500 3.230 2.988 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
16 1 32 GLN O 1 36 GLN H 2.300 . 2.500 2.383 2.134 2.510 0.010 13 0 "[ . 1 . 2 . 3 . 4 . ]" 2
17 1 33 ALA O 1 37 GLN N 3.300 2.500 3.500 2.785 2.535 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
18 1 33 ALA O 1 37 GLN H 2.300 . 2.500 1.894 1.696 2.300 0.004 6 0 "[ . 1 . 2 . 3 . 4 . ]" 2
19 1 51 LEU O 1 55 LEU N 3.300 2.500 3.500 3.041 2.735 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
20 1 51 LEU O 1 55 LEU H 2.300 . 2.500 2.102 1.763 2.507 0.007 21 0 "[ . 1 . 2 . 3 . 4 . ]" 2
21 1 52 MET O 1 56 ASN N 3.300 2.500 3.500 3.281 2.909 3.458 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
22 1 52 MET O 1 56 ASN H 2.300 . 2.500 2.367 1.982 2.518 0.018 36 0 "[ . 1 . 2 . 3 . 4 . ]" 2
23 1 55 LEU O 1 59 TRP N 3.300 2.500 3.500 2.734 2.550 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
24 1 55 LEU O 1 59 TRP H 2.300 . 2.500 1.914 1.723 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
stop_
save_
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