NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383142 |
1jv9   |
5171 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jv9
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 479
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 2.169
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0210
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0542
_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 1 ARG 0.035 0.035 1 0 "[ ]"
1 2 PRO 0.211 0.099 1 0 "[ ]"
1 3 ASP 0.000 0.000 . 0 "[ ]"
1 4 PHE 0.593 0.185 1 0 "[ ]"
1 5 CYS 0.034 0.034 1 0 "[ ]"
1 6 LEU 0.076 0.046 1 0 "[ ]"
1 7 GLU 0.064 0.034 1 0 "[ ]"
1 8 PRO 0.000 0.000 . 0 "[ ]"
1 9 PRO 0.000 0.000 . 0 "[ ]"
1 10 TYR 0.200 0.181 1 0 "[ ]"
1 11 THR 0.000 0.000 . 0 "[ ]"
1 12 GLY 0.181 0.181 1 0 "[ ]"
1 13 PRO 0.000 0.000 . 0 "[ ]"
1 14 CYS 0.043 0.043 1 0 "[ ]"
1 15 LYS 0.000 0.000 . 0 "[ ]"
1 16 ALA 0.000 0.000 . 0 "[ ]"
1 17 ARG 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 19 ILE 0.000 0.000 . 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 TYR 0.051 0.039 1 0 "[ ]"
1 22 PHE 0.198 0.134 1 0 "[ ]"
1 23 TYR 0.266 0.134 1 0 "[ ]"
1 24 ASN 0.091 0.080 1 0 "[ ]"
1 25 ALA 0.061 0.048 1 0 "[ ]"
1 26 LYS 0.000 0.000 . 0 "[ ]"
1 27 ALA 0.132 0.080 1 0 "[ ]"
1 28 GLY 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.168 0.074 1 0 "[ ]"
1 30 CYS 0.114 0.074 1 0 "[ ]"
1 31 GLN 0.006 0.006 1 0 "[ ]"
1 32 THR 0.000 0.000 . 0 "[ ]"
1 33 PHE 0.276 0.113 1 0 "[ ]"
1 34 VAL 0.049 0.049 1 0 "[ ]"
1 35 TYR 0.000 0.000 . 0 "[ ]"
1 36 GLY 0.000 0.000 . 0 "[ ]"
1 37 ALA 0.000 0.000 . 0 "[ ]"
1 38 CYS 0.043 0.043 1 0 "[ ]"
1 39 ARG 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.000 0.000 . 0 "[ ]"
1 41 LYS 0.000 0.000 . 0 "[ ]"
1 42 ARG 0.334 0.204 1 0 "[ ]"
1 43 ASN 0.310 0.204 1 0 "[ ]"
1 44 ASN 0.113 0.113 1 0 "[ ]"
1 45 PHE 0.236 0.185 1 0 "[ ]"
1 46 LYS 0.008 0.008 1 0 "[ ]"
1 47 SER 0.081 0.039 1 0 "[ ]"
1 48 ALA 0.035 0.035 1 0 "[ ]"
1 49 GLU 0.039 0.039 1 0 "[ ]"
1 50 ASP 0.063 0.063 1 0 "[ ]"
1 51 CYS 0.000 0.000 . 0 "[ ]"
1 52 MET 0.067 0.063 1 0 "[ ]"
1 53 ARG 0.000 0.000 . 0 "[ ]"
1 54 THR 0.092 0.053 1 0 "[ ]"
1 55 CYS 0.069 0.053 1 0 "[ ]"
1 56 GLY 0.000 0.000 . 0 "[ ]"
1 57 GLY 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG HA 1 2 PRO HD2 0.000 . 2.500 2.234 2.234 2.234 . 0 0 "[ ]" 1
2 1 1 ARG HA 1 2 PRO HD3 0.000 . 2.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
3 1 1 ARG QB 1 2 PRO HD2 0.000 . 3.000 3.035 3.035 3.035 0.035 1 0 "[ ]" 1
4 1 1 ARG QB 1 55 CYS HA 0.000 . 5.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
5 1 1 ARG QD 1 6 LEU MD1 0.000 . 5.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
6 1 1 ARG QD 1 6 LEU MD2 0.000 . 4.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
7 1 1 ARG QD 1 23 TYR QE 0.000 . 3.000 2.916 2.916 2.916 . 0 0 "[ ]" 1
8 1 1 ARG HE 1 6 LEU MD2 0.000 . 5.000 1.939 1.939 1.939 . 0 0 "[ ]" 1
9 1 1 ARG HE 1 23 TYR QE 0.000 . 4.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
10 1 1 ARG QG 1 55 CYS HA 0.000 . 5.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
11 1 2 PRO HA 1 3 ASP H 0.000 . 2.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
12 1 2 PRO HA 1 4 PHE H 0.000 . 4.000 4.099 4.099 4.099 0.099 1 0 "[ ]" 1
13 1 2 PRO HB2 1 3 ASP H 0.000 . 4.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
14 1 2 PRO HB2 1 4 PHE H 0.000 . 4.000 2.577 2.577 2.577 . 0 0 "[ ]" 1
15 1 2 PRO HB2 1 4 PHE QD 0.000 . 4.000 2.725 2.725 2.725 . 0 0 "[ ]" 1
16 1 2 PRO HB2 1 4 PHE QE 0.000 . 4.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
17 1 2 PRO HB2 1 4 PHE HZ 0.000 . 5.000 3.684 3.684 3.684 . 0 0 "[ ]" 1
18 1 2 PRO HB2 1 5 CYS H 0.000 . 4.000 3.070 3.070 3.070 . 0 0 "[ ]" 1
19 1 2 PRO HB3 1 3 ASP H 0.000 . 4.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
20 1 2 PRO HB3 1 4 PHE H 0.000 . 4.000 4.077 4.077 4.077 0.077 1 0 "[ ]" 1
21 1 2 PRO HB3 1 4 PHE QD 0.000 . 4.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
22 1 2 PRO HB3 1 4 PHE QE 0.000 . 4.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
23 1 2 PRO HD2 1 55 CYS HA 0.000 . 4.000 2.497 2.497 2.497 . 0 0 "[ ]" 1
24 1 3 ASP H 1 4 PHE H 0.000 . 4.000 2.170 2.170 2.170 . 0 0 "[ ]" 1
25 1 3 ASP H 1 4 PHE QD 0.000 . 5.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
26 1 3 ASP H 1 5 CYS H 0.000 . 5.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
27 1 3 ASP H 1 6 LEU MD1 0.000 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
28 1 3 ASP HA 1 4 PHE H 0.000 . 4.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
29 1 3 ASP HA 1 5 CYS H 0.000 . 4.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
30 1 3 ASP HA 1 6 LEU H 0.000 . 4.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
31 1 3 ASP HA 1 6 LEU QB 0.000 . 4.000 3.160 3.160 3.160 . 0 0 "[ ]" 1
32 1 3 ASP HA 1 6 LEU MD1 0.000 . 4.000 1.967 1.967 1.967 . 0 0 "[ ]" 1
33 1 3 ASP HA 1 6 LEU MD2 0.000 . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
34 1 3 ASP HA 1 6 LEU HG 0.000 . 4.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
35 1 3 ASP QB 1 4 PHE H 0.000 . 4.000 3.003 3.003 3.003 . 0 0 "[ ]" 1
36 1 4 PHE H 1 5 CYS H 0.000 . 4.000 2.625 2.625 2.625 . 0 0 "[ ]" 1
37 1 4 PHE H 1 6 LEU H 0.000 . 5.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
38 1 4 PHE HA 1 5 CYS H 0.000 . 4.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
39 1 4 PHE HA 1 6 LEU H 0.000 . 4.000 4.046 4.046 4.046 0.046 1 0 "[ ]" 1
40 1 4 PHE HB3 1 42 ARG H 0.000 . 5.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
41 1 4 PHE HB3 1 42 ARG HB2 0.000 . 5.000 3.061 3.061 3.061 . 0 0 "[ ]" 1
42 1 4 PHE HB3 1 42 ARG HB3 0.000 . 4.000 4.130 4.130 4.130 0.130 1 0 "[ ]" 1
43 1 4 PHE HB3 1 42 ARG HE 0.000 . 4.000 1.966 1.966 1.966 . 0 0 "[ ]" 1
44 1 4 PHE QD 1 5 CYS HA 0.000 . 4.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
45 1 4 PHE QD 1 42 ARG HB2 0.000 . 4.000 2.545 2.545 2.545 . 0 0 "[ ]" 1
46 1 4 PHE QD 1 42 ARG HB3 0.000 . 4.000 3.046 3.046 3.046 . 0 0 "[ ]" 1
47 1 4 PHE QD 1 42 ARG QD 0.000 . 3.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
48 1 4 PHE QD 1 43 ASN HA 0.000 . 4.000 3.110 3.110 3.110 . 0 0 "[ ]" 1
49 1 4 PHE QD 1 43 ASN HB2 0.000 . 4.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
50 1 4 PHE QD 1 45 PHE HZ 0.000 . 3.000 3.185 3.185 3.185 0.185 1 0 "[ ]" 1
51 1 4 PHE QE 1 42 ARG HB2 0.000 . 5.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
52 1 4 PHE QE 1 42 ARG QD 0.000 . 4.000 3.260 3.260 3.260 . 0 0 "[ ]" 1
53 1 4 PHE QE 1 43 ASN HA 0.000 . 4.000 4.056 4.056 4.056 0.056 1 0 "[ ]" 1
54 1 4 PHE QE 1 45 PHE HZ 0.000 . 2.500 1.700 1.700 1.700 . 0 0 "[ ]" 1
55 1 4 PHE QE 1 54 THR MG 0.000 . 3.000 2.506 2.506 2.506 . 0 0 "[ ]" 1
56 1 4 PHE HZ 1 42 ARG HB3 0.000 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
57 1 4 PHE HZ 1 45 PHE HZ 0.000 . 4.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
58 1 4 PHE HZ 1 54 THR MG 0.000 . 3.000 2.027 2.027 2.027 . 0 0 "[ ]" 1
59 1 5 CYS H 1 6 LEU H 0.000 . 3.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
60 1 5 CYS HA 1 6 LEU H 0.000 . 4.000 3.489 3.489 3.489 . 0 0 "[ ]" 1
61 1 5 CYS HA 1 7 GLU H 0.000 . 4.000 4.034 4.034 4.034 0.034 1 0 "[ ]" 1
62 1 5 CYS HA 1 43 ASN HD21 0.000 . 4.000 1.748 1.748 1.748 . 0 0 "[ ]" 1
63 1 5 CYS HA 1 43 ASN HD22 0.000 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
64 1 5 CYS QB 1 6 LEU H 0.000 . 4.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
65 1 5 CYS QB 1 6 LEU MD1 0.000 . 5.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
66 1 5 CYS QB 1 6 LEU MD2 0.000 . 5.000 3.114 3.114 3.114 . 0 0 "[ ]" 1
67 1 5 CYS QB 1 55 CYS QB 0.000 . 3.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
68 1 6 LEU H 1 7 GLU H 0.000 . 2.500 2.452 2.452 2.452 . 0 0 "[ ]" 1
69 1 6 LEU HA 1 6 LEU MD2 0.000 . 2.500 1.965 1.965 1.965 . 0 0 "[ ]" 1
70 1 6 LEU HA 1 7 GLU H 0.000 . 4.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
71 1 6 LEU HA 1 25 ALA MB 0.000 . 3.000 1.999 1.999 1.999 . 0 0 "[ ]" 1
72 1 6 LEU QB 1 7 GLU H 0.000 . 4.000 2.772 2.772 2.772 . 0 0 "[ ]" 1
73 1 6 LEU MD1 1 7 GLU H 0.000 . 5.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
74 1 6 LEU MD1 1 23 TYR QE 0.000 . 5.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
75 1 6 LEU MD2 1 7 GLU H 0.000 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
76 1 6 LEU MD2 1 23 TYR QE 0.000 . 4.000 2.172 2.172 2.172 . 0 0 "[ ]" 1
77 1 6 LEU MD2 1 25 ALA H 0.000 . 5.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
78 1 6 LEU MD2 1 25 ALA MB 0.000 . 3.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
79 1 6 LEU HG 1 7 GLU H 0.000 . 4.000 4.030 4.030 4.030 0.030 1 0 "[ ]" 1
80 1 7 GLU H 1 43 ASN HD21 0.000 . 4.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
81 1 7 GLU H 1 43 ASN HD22 0.000 . 5.000 4.086 4.086 4.086 . 0 0 "[ ]" 1
82 1 7 GLU HA 1 8 PRO QD 0.000 . 2.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
83 1 7 GLU QB 1 43 ASN HD21 0.000 . 4.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
84 1 8 PRO HB2 1 9 PRO HD2 0.000 . 4.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
85 1 8 PRO HB3 1 9 PRO HD2 0.000 . 4.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
86 1 9 PRO HA 1 10 TYR H 0.000 . 3.000 2.512 2.512 2.512 . 0 0 "[ ]" 1
87 1 9 PRO HB2 1 10 TYR H 0.000 . 5.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
88 1 9 PRO HB2 1 33 PHE QD 0.000 . 5.000 2.575 2.575 2.575 . 0 0 "[ ]" 1
89 1 9 PRO HB2 1 33 PHE QE 0.000 . 4.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
90 1 9 PRO HB3 1 10 TYR H 0.000 . 4.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
91 1 9 PRO HB3 1 33 PHE QD 0.000 . 4.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
92 1 9 PRO HB3 1 33 PHE QE 0.000 . 4.000 3.898 3.898 3.898 . 0 0 "[ ]" 1
93 1 9 PRO HD3 1 22 PHE QE 0.000 . 4.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
94 1 9 PRO HG3 1 22 PHE QE 0.000 . 4.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
95 1 9 PRO HG3 1 22 PHE HZ 0.000 . 5.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
96 1 10 TYR H 1 33 PHE QD 0.000 . 4.000 4.018 4.018 4.018 0.018 1 0 "[ ]" 1
97 1 10 TYR HA 1 11 THR H 0.000 . 2.500 2.286 2.286 2.286 . 0 0 "[ ]" 1
98 1 10 TYR HA 1 12 GLY H 0.000 . 3.000 3.181 3.181 3.181 0.181 1 0 "[ ]" 1
99 1 10 TYR QB 1 11 THR H 0.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
100 1 10 TYR QB 1 41 LYS H 0.000 . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
101 1 10 TYR QB 1 41 LYS HB2 0.000 . 4.000 3.133 3.133 3.133 . 0 0 "[ ]" 1
102 1 10 TYR QB 1 41 LYS QD 0.000 . 3.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
103 1 10 TYR QD 1 11 THR H 0.000 . 5.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
104 1 10 TYR QD 1 12 GLY HA2 0.000 . 5.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
105 1 10 TYR QD 1 12 GLY HA3 0.000 . 4.000 3.367 3.367 3.367 . 0 0 "[ ]" 1
106 1 10 TYR QD 1 39 ARG QB 0.000 . 4.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
107 1 10 TYR QD 1 40 ALA HA 0.000 . 4.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
108 1 10 TYR QD 1 41 LYS H 0.000 . 4.000 3.976 3.976 3.976 . 0 0 "[ ]" 1
109 1 10 TYR QD 1 41 LYS QD 0.000 . 3.000 2.907 2.907 2.907 . 0 0 "[ ]" 1
110 1 10 TYR QE 1 12 GLY HA2 0.000 . 4.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
111 1 10 TYR QE 1 12 GLY HA3 0.000 . 4.000 2.849 2.849 2.849 . 0 0 "[ ]" 1
112 1 10 TYR QE 1 13 PRO QD 0.000 . 4.000 2.973 2.973 2.973 . 0 0 "[ ]" 1
113 1 10 TYR QE 1 39 ARG QB 0.000 . 3.000 2.233 2.233 2.233 . 0 0 "[ ]" 1
114 1 11 THR H 1 12 GLY H 0.000 . 4.000 2.566 2.566 2.566 . 0 0 "[ ]" 1
115 1 11 THR HA 1 33 PHE QD 0.000 . 4.000 3.424 3.424 3.424 . 0 0 "[ ]" 1
116 1 11 THR HA 1 33 PHE QE 0.000 . 3.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
117 1 11 THR HA 1 35 TYR HA 0.000 . 2.500 2.429 2.429 2.429 . 0 0 "[ ]" 1
118 1 11 THR HA 1 35 TYR HD1 0.000 . 4.000 3.440 3.440 3.440 . 0 0 "[ ]" 1
119 1 11 THR HA 1 36 GLY H 0.000 . 4.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
120 1 11 THR HB 1 12 GLY H 0.000 . 4.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
121 1 11 THR MG 1 12 GLY H 0.000 . 4.000 3.395 3.395 3.395 . 0 0 "[ ]" 1
122 1 11 THR MG 1 35 TYR HA 0.000 . 4.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
123 1 11 THR MG 1 36 GLY QA 0.000 . 5.000 3.266 3.266 3.266 . 0 0 "[ ]" 1
124 1 12 GLY H 1 12 GLY HA3 0.000 . 3.000 2.843 2.843 2.843 . 0 0 "[ ]" 1
125 1 12 GLY HA3 1 13 PRO QD 0.000 . 2.500 2.334 2.334 2.334 . 0 0 "[ ]" 1
126 1 13 PRO QB 1 39 ARG QD 0.000 . 5.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
127 1 13 PRO QD 1 39 ARG QB 0.000 . 4.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
128 1 14 CYS HA 1 15 LYS H 0.000 . 4.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
129 1 14 CYS HB2 1 38 CYS H 0.000 . 4.000 4.043 4.043 4.043 0.043 1 0 "[ ]" 1
130 1 14 CYS HB3 1 15 LYS H 0.000 . 4.000 2.249 2.249 2.249 . 0 0 "[ ]" 1
131 1 14 CYS HB3 1 16 ALA H 0.000 . 4.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
132 1 15 LYS HA 1 16 ALA H 0.000 . 4.000 3.294 3.294 3.294 . 0 0 "[ ]" 1
133 1 15 LYS HB3 1 16 ALA H 0.000 . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
134 1 16 ALA H 1 36 GLY QA 0.000 . 4.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
135 1 16 ALA H 1 37 ALA MB 0.000 . 4.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
136 1 16 ALA HA 1 17 ARG H 0.000 . 3.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
137 1 16 ALA MB 1 17 ARG H 0.000 . 3.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
138 1 16 ALA MB 1 18 ILE MD 0.000 . 4.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
139 1 16 ALA MB 1 36 GLY QA 0.000 . 4.000 3.248 3.248 3.248 . 0 0 "[ ]" 1
140 1 16 ALA MB 1 37 ALA HA 0.000 . 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
141 1 17 ARG HA 1 18 ILE H 0.000 . 2.500 2.498 2.498 2.498 . 0 0 "[ ]" 1
142 1 17 ARG HA 1 34 VAL MG1 0.000 . 2.500 2.484 2.484 2.484 . 0 0 "[ ]" 1
143 1 18 ILE H 1 19 ILE H 0.000 . 5.000 4.615 4.615 4.615 . 0 0 "[ ]" 1
144 1 18 ILE H 1 34 VAL MG1 0.000 . 4.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
145 1 18 ILE H 1 35 TYR H 0.000 . 4.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
146 1 18 ILE HA 1 19 ILE H 0.000 . 2.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
147 1 18 ILE HB 1 35 TYR H 0.000 . 5.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
148 1 18 ILE HB 1 35 TYR HB3 0.000 . 4.000 1.982 1.982 1.982 . 0 0 "[ ]" 1
149 1 18 ILE HB 1 35 TYR HD2 0.000 . 4.000 2.539 2.539 2.539 . 0 0 "[ ]" 1
150 1 18 ILE MD 1 19 ILE H 0.000 . 5.000 4.912 4.912 4.912 . 0 0 "[ ]" 1
151 1 18 ILE MD 1 35 TYR HD2 0.000 . 5.000 2.181 2.181 2.181 . 0 0 "[ ]" 1
152 1 18 ILE MD 1 35 TYR QE 0.000 . 4.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
153 1 18 ILE MD 1 35 TYR HE2 0.000 . 5.000 3.186 3.186 3.186 . 0 0 "[ ]" 1
154 1 18 ILE MD 1 37 ALA HA 0.000 . 5.000 2.628 2.628 2.628 . 0 0 "[ ]" 1
155 1 18 ILE MD 1 37 ALA MB 0.000 . 3.000 1.968 1.968 1.968 . 0 0 "[ ]" 1
156 1 18 ILE MG 1 19 ILE H 0.000 . 4.000 1.982 1.982 1.982 . 0 0 "[ ]" 1
157 1 18 ILE MG 1 20 ARG QD 0.000 . 5.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
158 1 18 ILE MG 1 20 ARG HE 0.000 . 3.000 2.597 2.597 2.597 . 0 0 "[ ]" 1
159 1 18 ILE MG 1 35 TYR HD2 0.000 . 4.000 2.732 2.732 2.732 . 0 0 "[ ]" 1
160 1 18 ILE MG 1 35 TYR QE 0.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
161 1 19 ILE H 1 20 ARG H 0.000 . 4.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
162 1 19 ILE HA 1 20 ARG H 0.000 . 2.500 2.398 2.398 2.398 . 0 0 "[ ]" 1
163 1 19 ILE HA 1 34 VAL HA 0.000 . 4.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
164 1 19 ILE MD 1 20 ARG H 0.000 . 4.000 3.982 3.982 3.982 . 0 0 "[ ]" 1
165 1 19 ILE MD 1 32 THR HB 0.000 . 4.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
166 1 19 ILE MD 1 34 VAL HA 0.000 . 5.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
167 1 19 ILE MG 1 20 ARG H 0.000 . 4.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
168 1 19 ILE MG 1 21 TYR QD 0.000 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
169 1 19 ILE MG 1 21 TYR QE 0.000 . 4.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
170 1 19 ILE MG 1 32 THR HA 0.000 . 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
171 1 19 ILE MG 1 32 THR HB 0.000 . 2.500 1.981 1.981 1.981 . 0 0 "[ ]" 1
172 1 19 ILE MG 1 33 PHE H 0.000 . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
173 1 19 ILE MG 1 33 PHE HA 0.000 . 5.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
174 1 20 ARG H 1 32 THR HB 0.000 . 5.000 4.911 4.911 4.911 . 0 0 "[ ]" 1
175 1 20 ARG H 1 33 PHE H 0.000 . 4.000 3.348 3.348 3.348 . 0 0 "[ ]" 1
176 1 20 ARG H 1 34 VAL HA 0.000 . 4.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
177 1 20 ARG H 1 35 TYR H 0.000 . 5.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
178 1 20 ARG HA 1 21 TYR H 0.000 . 3.000 2.522 2.522 2.522 . 0 0 "[ ]" 1
179 1 20 ARG HA 1 21 TYR QD 0.000 . 5.000 3.130 3.130 3.130 . 0 0 "[ ]" 1
180 1 20 ARG HB2 1 21 TYR H 0.000 . 4.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
181 1 20 ARG HB2 1 33 PHE QD 0.000 . 4.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
182 1 20 ARG HB2 1 33 PHE QE 0.000 . 4.000 2.920 2.920 2.920 . 0 0 "[ ]" 1
183 1 20 ARG HB3 1 33 PHE QE 0.000 . 4.000 2.227 2.227 2.227 . 0 0 "[ ]" 1
184 1 20 ARG HB3 1 45 PHE H 0.000 . 4.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
185 1 20 ARG QD 1 21 TYR H 0.000 . 4.000 2.568 2.568 2.568 . 0 0 "[ ]" 1
186 1 20 ARG QD 1 45 PHE H 0.000 . 5.000 4.202 4.202 4.202 . 0 0 "[ ]" 1
187 1 20 ARG QD 1 46 LYS HA 0.000 . 3.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
188 1 20 ARG HE 1 46 LYS HA 0.000 . 4.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
189 1 20 ARG QG 1 35 TYR QB 0.000 . 4.000 2.094 2.094 2.094 . 0 0 "[ ]" 1
190 1 20 ARG QG 1 35 TYR HD2 0.000 . 5.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
191 1 21 TYR H 1 33 PHE QE 0.000 . 5.000 3.274 3.274 3.274 . 0 0 "[ ]" 1
192 1 21 TYR H 1 45 PHE H 0.000 . 4.000 3.119 3.119 3.119 . 0 0 "[ ]" 1
193 1 21 TYR H 1 45 PHE HB2 0.000 . 4.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
194 1 21 TYR HA 1 22 PHE H 0.000 . 2.500 2.308 2.308 2.308 . 0 0 "[ ]" 1
195 1 21 TYR HA 1 32 THR HA 0.000 . 2.500 2.217 2.217 2.217 . 0 0 "[ ]" 1
196 1 21 TYR HA 1 32 THR MG 0.000 . 4.000 3.121 3.121 3.121 . 0 0 "[ ]" 1
197 1 21 TYR HA 1 33 PHE H 0.000 . 5.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
198 1 21 TYR HA 1 33 PHE QD 0.000 . 4.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
199 1 21 TYR HA 1 33 PHE QE 0.000 . 4.000 4.039 4.039 4.039 0.039 1 0 "[ ]" 1
200 1 21 TYR QB 1 45 PHE H 0.000 . 4.000 3.237 3.237 3.237 . 0 0 "[ ]" 1
201 1 21 TYR QD 1 22 PHE H 0.000 . 5.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
202 1 21 TYR QD 1 30 CYS HB3 0.000 . 4.000 3.511 3.511 3.511 . 0 0 "[ ]" 1
203 1 21 TYR QD 1 31 GLN H 0.000 . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
204 1 21 TYR QD 1 31 GLN HA 0.000 . 4.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
205 1 21 TYR QD 1 32 THR H 0.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
206 1 21 TYR QD 1 32 THR HA 0.000 . 4.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
207 1 21 TYR QD 1 32 THR MG 0.000 . 4.000 2.850 2.850 2.850 . 0 0 "[ ]" 1
208 1 21 TYR QD 1 45 PHE H 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
209 1 21 TYR QD 1 45 PHE HB2 0.000 . 5.000 4.131 4.131 4.131 . 0 0 "[ ]" 1
210 1 21 TYR QD 1 46 LYS HA 0.000 . 4.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
211 1 21 TYR QD 1 47 SER H 0.000 . 4.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
212 1 21 TYR QD 1 47 SER HA 0.000 . 4.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
213 1 21 TYR QD 1 48 ALA H 0.000 . 4.000 3.650 3.650 3.650 . 0 0 "[ ]" 1
214 1 21 TYR QD 1 48 ALA HA 0.000 . 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 1
215 1 21 TYR QD 1 48 ALA MB 0.000 . 4.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
216 1 21 TYR QE 1 31 GLN HA 0.000 . 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
217 1 21 TYR QE 1 32 THR H 0.000 . 5.000 4.825 4.825 4.825 . 0 0 "[ ]" 1
218 1 21 TYR QE 1 32 THR MG 0.000 . 3.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
219 1 21 TYR QE 1 46 LYS HA 0.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
220 1 21 TYR QE 1 47 SER HA 0.000 . 4.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
221 1 21 TYR QE 1 48 ALA H 0.000 . 4.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
222 1 21 TYR QE 1 48 ALA HA 0.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
223 1 21 TYR QE 1 48 ALA MB 0.000 . 3.000 2.620 2.620 2.620 . 0 0 "[ ]" 1
224 1 22 PHE H 1 30 CYS HA 0.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
225 1 22 PHE H 1 31 GLN H 0.000 . 4.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
226 1 22 PHE H 1 33 PHE QD 0.000 . 4.000 3.398 3.398 3.398 . 0 0 "[ ]" 1
227 1 22 PHE HA 1 23 TYR H 0.000 . 3.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
228 1 22 PHE HA 1 43 ASN HD22 0.000 . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
229 1 22 PHE HA 1 45 PHE H 0.000 . 5.000 3.162 3.162 3.162 . 0 0 "[ ]" 1
230 1 22 PHE HA 1 45 PHE QD 0.000 . 4.000 1.982 1.982 1.982 . 0 0 "[ ]" 1
231 1 22 PHE HB2 1 23 TYR H 0.000 . 4.000 2.891 2.891 2.891 . 0 0 "[ ]" 1
232 1 22 PHE HB2 1 33 PHE QD 0.000 . 4.000 4.042 4.042 4.042 0.042 1 0 "[ ]" 1
233 1 22 PHE HB2 1 43 ASN HD21 0.000 . 5.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
234 1 22 PHE HB2 1 43 ASN HD22 0.000 . 4.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
235 1 22 PHE HB3 1 23 TYR H 0.000 . 4.000 4.134 4.134 4.134 0.134 1 0 "[ ]" 1
236 1 22 PHE HB3 1 33 PHE QD 0.000 . 3.000 2.362 2.362 2.362 . 0 0 "[ ]" 1
237 1 22 PHE HB3 1 33 PHE QE 0.000 . 3.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
238 1 22 PHE QD 1 23 TYR H 0.000 . 5.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
239 1 22 PHE QD 1 33 PHE HB3 0.000 . 4.000 2.147 2.147 2.147 . 0 0 "[ ]" 1
240 1 22 PHE QE 1 24 ASN HA 0.000 . 3.000 2.118 2.118 2.118 . 0 0 "[ ]" 1
241 1 22 PHE QE 1 24 ASN HB2 0.000 . 3.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
242 1 22 PHE QE 1 24 ASN HD21 0.000 . 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
243 1 22 PHE QE 1 31 GLN H 0.000 . 5.000 4.025 4.025 4.025 . 0 0 "[ ]" 1
244 1 22 PHE QE 1 31 GLN HB2 0.000 . 3.000 2.534 2.534 2.534 . 0 0 "[ ]" 1
245 1 22 PHE QE 1 33 PHE HA 0.000 . 4.000 4.015 4.015 4.015 0.015 1 0 "[ ]" 1
246 1 22 PHE QE 1 33 PHE HB3 0.000 . 3.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
247 1 22 PHE HZ 1 24 ASN HA 0.000 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
248 1 22 PHE HZ 1 24 ASN HB2 0.000 . 4.000 2.962 2.962 2.962 . 0 0 "[ ]" 1
249 1 22 PHE HZ 1 24 ASN HD21 0.000 . 4.000 2.918 2.918 2.918 . 0 0 "[ ]" 1
250 1 23 TYR H 1 43 ASN HD21 0.000 . 4.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
251 1 23 TYR H 1 43 ASN HD22 0.000 . 4.000 2.978 2.978 2.978 . 0 0 "[ ]" 1
252 1 23 TYR HA 1 24 ASN H 0.000 . 2.500 2.225 2.225 2.225 . 0 0 "[ ]" 1
253 1 23 TYR HA 1 30 CYS HA 0.000 . 2.500 1.984 1.984 1.984 . 0 0 "[ ]" 1
254 1 23 TYR HA 1 31 GLN H 0.000 . 4.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
255 1 23 TYR HB2 1 55 CYS QB 0.000 . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 1
256 1 23 TYR HB3 1 43 ASN HD21 0.000 . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
257 1 23 TYR HB3 1 43 ASN HD22 0.000 . 3.000 3.050 3.050 3.050 0.050 1 0 "[ ]" 1
258 1 23 TYR HD2 1 25 ALA MB 0.000 . 5.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
259 1 23 TYR QE 1 25 ALA H 0.000 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
260 1 23 TYR QE 1 25 ALA HA 0.000 . 3.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
261 1 23 TYR QE 1 25 ALA MB 0.000 . 3.000 3.013 3.013 3.013 0.013 1 0 "[ ]" 1
262 1 23 TYR QE 1 28 GLY HA2 0.000 . 4.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
263 1 23 TYR QE 1 28 GLY HA3 0.000 . 5.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
264 1 23 TYR QE 1 29 LEU H 0.000 . 4.000 4.049 4.049 4.049 0.049 1 0 "[ ]" 1
265 1 23 TYR QE 1 29 LEU HA 0.000 . 4.000 2.328 2.328 2.328 . 0 0 "[ ]" 1
266 1 23 TYR QE 1 52 MET HA 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
267 1 23 TYR QE 1 52 MET ME 0.000 . 4.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
268 1 23 TYR QE 1 55 CYS QB 0.000 . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
269 1 23 TYR QE 1 56 GLY QA 0.000 . 4.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
270 1 23 TYR QE 1 58 ALA MB 0.000 . 5.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
271 1 24 ASN H 1 25 ALA H 0.000 . 5.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
272 1 24 ASN H 1 29 LEU H 0.000 . 4.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
273 1 24 ASN H 1 30 CYS HA 0.000 . 4.000 2.219 2.219 2.219 . 0 0 "[ ]" 1
274 1 24 ASN H 1 31 GLN H 0.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
275 1 24 ASN HA 1 25 ALA H 0.000 . 2.500 2.317 2.317 2.317 . 0 0 "[ ]" 1
276 1 24 ASN HA 1 25 ALA MB 0.000 . 5.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
277 1 24 ASN HA 1 26 LYS H 0.000 . 4.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
278 1 24 ASN HB2 1 27 ALA H 0.000 . 4.000 4.080 4.080 4.080 0.080 1 0 "[ ]" 1
279 1 24 ASN HB2 1 27 ALA MB 0.000 . 5.000 3.069 3.069 3.069 . 0 0 "[ ]" 1
280 1 24 ASN HB3 1 27 ALA MB 0.000 . 3.000 1.882 1.882 1.882 . 0 0 "[ ]" 1
281 1 24 ASN HB3 1 29 LEU H 0.000 . 4.000 3.433 3.433 3.433 . 0 0 "[ ]" 1
282 1 24 ASN HD21 1 27 ALA MB 0.000 . 4.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
283 1 24 ASN HD21 1 31 GLN HE21 0.000 . 5.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
284 1 24 ASN HD21 1 31 GLN HE22 0.000 . 4.000 3.129 3.129 3.129 . 0 0 "[ ]" 1
285 1 24 ASN HD22 1 26 LYS QB 0.000 . 4.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
286 1 24 ASN HD22 1 27 ALA H 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
287 1 24 ASN HD22 1 27 ALA MB 0.000 . 4.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
288 1 25 ALA H 1 26 LYS H 0.000 . 4.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
289 1 25 ALA H 1 27 ALA H 0.000 . 5.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
290 1 25 ALA HA 1 26 LYS H 0.000 . 4.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
291 1 25 ALA HA 1 27 ALA H 0.000 . 4.000 4.048 4.048 4.048 0.048 1 0 "[ ]" 1
292 1 25 ALA HA 1 28 GLY H 0.000 . 4.000 3.307 3.307 3.307 . 0 0 "[ ]" 1
293 1 25 ALA MB 1 26 LYS H 0.000 . 3.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
294 1 25 ALA MB 1 28 GLY H 0.000 . 5.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
295 1 26 LYS H 1 27 ALA H 0.000 . 3.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
296 1 26 LYS H 1 28 GLY H 0.000 . 4.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
297 1 26 LYS QB 1 27 ALA H 0.000 . 4.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
298 1 27 ALA H 1 28 GLY H 0.000 . 2.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
299 1 27 ALA HA 1 28 GLY H 0.000 . 4.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
300 1 27 ALA MB 1 28 GLY H 0.000 . 4.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
301 1 27 ALA MB 1 29 LEU MD1 0.000 . 5.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
302 1 27 ALA MB 1 31 GLN HE21 0.000 . 4.000 1.920 1.920 1.920 . 0 0 "[ ]" 1
303 1 27 ALA MB 1 31 GLN HE22 0.000 . 4.000 3.022 3.022 3.022 . 0 0 "[ ]" 1
304 1 28 GLY H 1 29 LEU H 0.000 . 3.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
305 1 28 GLY HA2 1 29 LEU H 0.000 . 4.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
306 1 28 GLY HA3 1 29 LEU H 0.000 . 4.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
307 1 29 LEU H 1 30 CYS H 0.000 . 4.000 4.074 4.074 4.074 0.074 1 0 "[ ]" 1
308 1 29 LEU HA 1 29 LEU MD1 0.000 . 4.000 3.961 3.961 3.961 . 0 0 "[ ]" 1
309 1 29 LEU HA 1 30 CYS H 0.000 . 3.000 3.039 3.039 3.039 0.039 1 0 "[ ]" 1
310 1 29 LEU QB 1 30 CYS H 0.000 . 3.000 1.892 1.892 1.892 . 0 0 "[ ]" 1
311 1 29 LEU MD1 1 30 CYS H 0.000 . 4.000 1.981 1.981 1.981 . 0 0 "[ ]" 1
312 1 29 LEU MD1 1 31 GLN HE21 0.000 . 4.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
313 1 29 LEU MD1 1 31 GLN HE22 0.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
314 1 29 LEU MD1 1 31 GLN QG 0.000 . 5.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
315 1 29 LEU MD2 1 30 CYS H 0.000 . 4.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
316 1 30 CYS H 1 31 GLN H 0.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
317 1 30 CYS H 1 52 MET ME 0.000 . 5.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
318 1 30 CYS HA 1 31 GLN H 0.000 . 2.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
319 1 30 CYS HB2 1 31 GLN H 0.000 . 4.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
320 1 30 CYS HB3 1 31 GLN H 0.000 . 4.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
321 1 30 CYS HB3 1 48 ALA HA 0.000 . 5.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
322 1 31 GLN H 1 32 THR H 0.000 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
323 1 31 GLN HA 1 32 THR H 0.000 . 3.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
324 1 31 GLN HA 1 32 THR MG 0.000 . 5.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
325 1 31 GLN HB2 1 32 THR H 0.000 . 4.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
326 1 31 GLN HB3 1 32 THR H 0.000 . 3.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
327 1 32 THR HA 1 33 PHE H 0.000 . 2.500 2.266 2.266 2.266 . 0 0 "[ ]" 1
328 1 32 THR HA 1 33 PHE QD 0.000 . 4.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
329 1 32 THR HB 1 33 PHE H 0.000 . 4.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
330 1 32 THR HB 1 33 PHE HA 0.000 . 5.000 4.353 4.353 4.353 . 0 0 "[ ]" 1
331 1 32 THR MG 1 33 PHE H 0.000 . 4.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
332 1 33 PHE HA 1 34 VAL H 0.000 . 3.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
333 1 33 PHE HA 1 34 VAL HA 0.000 . 5.000 4.401 4.401 4.401 . 0 0 "[ ]" 1
334 1 33 PHE HA 1 34 VAL MG2 0.000 . 4.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
335 1 33 PHE HB2 1 34 VAL H 0.000 . 3.000 2.736 2.736 2.736 . 0 0 "[ ]" 1
336 1 33 PHE HB3 1 34 VAL H 0.000 . 4.000 4.049 4.049 4.049 0.049 1 0 "[ ]" 1
337 1 33 PHE QD 1 34 VAL H 0.000 . 4.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
338 1 33 PHE QD 1 35 TYR HA 0.000 . 4.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
339 1 33 PHE QD 1 35 TYR HB2 0.000 . 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
340 1 33 PHE QD 1 44 ASN HA 0.000 . 4.000 4.113 4.113 4.113 0.113 1 0 "[ ]" 1
341 1 33 PHE QE 1 35 TYR HA 0.000 . 4.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
342 1 33 PHE QE 1 35 TYR HB2 0.000 . 4.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
343 1 33 PHE QE 1 35 TYR HD1 0.000 . 5.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
344 1 33 PHE QE 1 44 ASN HA 0.000 . 3.000 1.879 1.879 1.879 . 0 0 "[ ]" 1
345 1 33 PHE HZ 1 44 ASN HA 0.000 . 4.000 2.726 2.726 2.726 . 0 0 "[ ]" 1
346 1 33 PHE HZ 1 44 ASN HB2 0.000 . 4.000 2.319 2.319 2.319 . 0 0 "[ ]" 1
347 1 33 PHE HZ 1 44 ASN HB3 0.000 . 4.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
348 1 33 PHE HZ 1 44 ASN HD21 0.000 . 4.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
349 1 33 PHE HZ 1 44 ASN HD22 0.000 . 4.000 3.301 3.301 3.301 . 0 0 "[ ]" 1
350 1 34 VAL HA 1 35 TYR H 0.000 . 2.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
351 1 34 VAL MG1 1 35 TYR H 0.000 . 4.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
352 1 34 VAL MG1 1 35 TYR HA 0.000 . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
353 1 34 VAL MG2 1 35 TYR H 0.000 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
354 1 35 TYR HA 1 35 TYR HD1 0.000 . 4.000 2.010 2.010 2.010 . 0 0 "[ ]" 1
355 1 35 TYR HA 1 36 GLY H 0.000 . 3.000 2.295 2.295 2.295 . 0 0 "[ ]" 1
356 1 35 TYR HD1 1 36 GLY H 0.000 . 5.000 1.969 1.969 1.969 . 0 0 "[ ]" 1
357 1 35 TYR HD1 1 37 ALA H 0.000 . 5.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
358 1 35 TYR HD1 1 40 ALA HA 0.000 . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
359 1 35 TYR HD2 1 37 ALA HA 0.000 . 5.000 3.192 3.192 3.192 . 0 0 "[ ]" 1
360 1 35 TYR HD2 1 44 ASN HD22 0.000 . 5.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
361 1 35 TYR QE 1 37 ALA H 0.000 . 4.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
362 1 35 TYR QE 1 37 ALA HA 0.000 . 3.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
363 1 35 TYR QE 1 37 ALA MB 0.000 . 4.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
364 1 35 TYR QE 1 38 CYS H 0.000 . 4.000 3.140 3.140 3.140 . 0 0 "[ ]" 1
365 1 35 TYR QE 1 40 ALA H 0.000 . 4.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
366 1 35 TYR QE 1 40 ALA HA 0.000 . 3.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
367 1 35 TYR QE 1 40 ALA MB 0.000 . 3.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
368 1 35 TYR QE 1 44 ASN HD21 0.000 . 4.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
369 1 35 TYR QE 1 44 ASN HD22 0.000 . 4.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
370 1 35 TYR HE1 1 40 ALA HA 0.000 . 3.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
371 1 35 TYR HE1 1 40 ALA MB 0.000 . 5.000 2.428 2.428 2.428 . 0 0 "[ ]" 1
372 1 35 TYR HE2 1 37 ALA H 0.000 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
373 1 35 TYR HE2 1 37 ALA HA 0.000 . 3.000 2.332 2.332 2.332 . 0 0 "[ ]" 1
374 1 35 TYR HE2 1 37 ALA MB 0.000 . 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
375 1 35 TYR HE2 1 40 ALA MB 0.000 . 5.000 3.704 3.704 3.704 . 0 0 "[ ]" 1
376 1 37 ALA H 1 38 CYS H 0.000 . 4.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
377 1 37 ALA HA 1 38 CYS H 0.000 . 4.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
378 1 37 ALA MB 1 38 CYS H 0.000 . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1
379 1 38 CYS HA 1 39 ARG H 0.000 . 3.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
380 1 38 CYS HA 1 40 ALA H 0.000 . 4.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
381 1 39 ARG H 1 40 ALA H 0.000 . 4.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
382 1 39 ARG HA 1 40 ALA H 0.000 . 4.000 2.874 2.874 2.874 . 0 0 "[ ]" 1
383 1 40 ALA HA 1 41 LYS H 0.000 . 2.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
384 1 40 ALA HA 1 44 ASN HD21 0.000 . 4.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
385 1 40 ALA MB 1 41 LYS H 0.000 . 3.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
386 1 40 ALA MB 1 44 ASN HD21 0.000 . 4.000 1.996 1.996 1.996 . 0 0 "[ ]" 1
387 1 40 ALA MB 1 44 ASN HD22 0.000 . 4.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
388 1 41 LYS H 1 44 ASN HD21 0.000 . 4.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
389 1 41 LYS HA 1 42 ARG H 0.000 . 3.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
390 1 41 LYS HB2 1 42 ARG H 0.000 . 3.000 2.977 2.977 2.977 . 0 0 "[ ]" 1
391 1 41 LYS HB3 1 42 ARG H 0.000 . 2.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
392 1 41 LYS HB3 1 43 ASN H 0.000 . 4.000 3.064 3.064 3.064 . 0 0 "[ ]" 1
393 1 42 ARG H 1 43 ASN H 0.000 . 4.000 2.481 2.481 2.481 . 0 0 "[ ]" 1
394 1 42 ARG HA 1 43 ASN H 0.000 . 5.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
395 1 42 ARG HA 1 44 ASN H 0.000 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
396 1 42 ARG HB3 1 43 ASN H 0.000 . 4.000 4.204 4.204 4.204 0.204 1 0 "[ ]" 1
397 1 43 ASN HA 1 44 ASN H 0.000 . 3.000 2.707 2.707 2.707 . 0 0 "[ ]" 1
398 1 43 ASN HA 1 45 PHE QE 0.000 . 4.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
399 1 43 ASN HA 1 45 PHE HZ 0.000 . 4.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
400 1 44 ASN HA 1 45 PHE H 0.000 . 2.500 2.413 2.413 2.413 . 0 0 "[ ]" 1
401 1 45 PHE HA 1 47 SER H 0.000 . 4.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
402 1 45 PHE HB2 1 47 SER H 0.000 . 4.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
403 1 45 PHE HB2 1 51 CYS H 0.000 . 4.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
404 1 45 PHE HB3 1 47 SER H 0.000 . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
405 1 45 PHE HB3 1 50 ASP QB 0.000 . 3.000 1.927 1.927 1.927 . 0 0 "[ ]" 1
406 1 45 PHE HB3 1 51 CYS H 0.000 . 4.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
407 1 45 PHE HB3 1 51 CYS HB2 0.000 . 5.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
408 1 45 PHE QE 1 54 THR HB 0.000 . 4.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
409 1 45 PHE QE 1 54 THR MG 0.000 . 3.000 2.421 2.421 2.421 . 0 0 "[ ]" 1
410 1 45 PHE HZ 1 51 CYS HA 0.000 . 5.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
411 1 45 PHE HZ 1 54 THR HB 0.000 . 4.000 4.031 4.031 4.031 0.031 1 0 "[ ]" 1
412 1 45 PHE HZ 1 54 THR MG 0.000 . 3.000 3.008 3.008 3.008 0.008 1 0 "[ ]" 1
413 1 46 LYS H 1 47 SER H 0.000 . 3.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
414 1 46 LYS H 1 50 ASP QB 0.000 . 4.000 3.353 3.353 3.353 . 0 0 "[ ]" 1
415 1 46 LYS HA 1 47 SER H 0.000 . 4.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
416 1 46 LYS QB 1 47 SER H 0.000 . 4.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
417 1 46 LYS QG 1 47 SER H 0.000 . 4.000 3.987 3.987 3.987 . 0 0 "[ ]" 1
418 1 47 SER H 1 48 ALA H 0.000 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
419 1 47 SER H 1 49 GLU H 0.000 . 5.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
420 1 47 SER HA 1 48 ALA H 0.000 . 2.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
421 1 47 SER HA 1 49 GLU H 0.000 . 4.000 4.039 4.039 4.039 0.039 1 0 "[ ]" 1
422 1 47 SER HA 1 50 ASP H 0.000 . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
423 1 47 SER HB2 1 48 ALA H 0.000 . 3.000 2.792 2.792 2.792 . 0 0 "[ ]" 1
424 1 47 SER HB2 1 49 GLU H 0.000 . 4.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
425 1 47 SER HB2 1 50 ASP H 0.000 . 4.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
426 1 47 SER HB3 1 48 ALA H 0.000 . 4.000 4.035 4.035 4.035 0.035 1 0 "[ ]" 1
427 1 48 ALA H 1 49 GLU H 0.000 . 3.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
428 1 48 ALA H 1 50 ASP H 0.000 . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
429 1 48 ALA HA 1 49 GLU H 0.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
430 1 48 ALA HA 1 50 ASP H 0.000 . 5.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
431 1 48 ALA MB 1 49 GLU H 0.000 . 3.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
432 1 48 ALA MB 1 49 GLU HA 0.000 . 5.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
433 1 49 GLU H 1 50 ASP H 0.000 . 4.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
434 1 49 GLU H 1 51 CYS H 0.000 . 4.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
435 1 49 GLU HA 1 50 ASP H 0.000 . 4.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
436 1 49 GLU HA 1 51 CYS H 0.000 . 5.000 4.262 4.262 4.262 . 0 0 "[ ]" 1
437 1 49 GLU HA 1 52 MET H 0.000 . 4.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
438 1 49 GLU HA 1 52 MET HB2 0.000 . 5.000 3.288 3.288 3.288 . 0 0 "[ ]" 1
439 1 49 GLU HA 1 52 MET HB3 0.000 . 4.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
440 1 49 GLU HA 1 53 ARG H 0.000 . 4.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
441 1 49 GLU QB 1 50 ASP H 0.000 . 3.000 2.805 2.805 2.805 . 0 0 "[ ]" 1
442 1 49 GLU QG 1 50 ASP H 0.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
443 1 50 ASP H 1 51 CYS H 0.000 . 3.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
444 1 50 ASP H 1 52 MET H 0.000 . 4.000 4.063 4.063 4.063 0.063 1 0 "[ ]" 1
445 1 50 ASP HA 1 51 CYS H 0.000 . 4.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
446 1 50 ASP HA 1 53 ARG H 0.000 . 4.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
447 1 50 ASP HA 1 53 ARG HE 0.000 . 4.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
448 1 50 ASP HA 1 54 THR H 0.000 . 5.000 4.392 4.392 4.392 . 0 0 "[ ]" 1
449 1 50 ASP QB 1 51 CYS H 0.000 . 3.000 2.657 2.657 2.657 . 0 0 "[ ]" 1
450 1 51 CYS H 1 52 MET H 0.000 . 4.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
451 1 51 CYS H 1 53 ARG H 0.000 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
452 1 51 CYS HA 1 52 MET H 0.000 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
453 1 51 CYS HA 1 54 THR H 0.000 . 4.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
454 1 51 CYS HA 1 54 THR HB 0.000 . 5.000 2.858 2.858 2.858 . 0 0 "[ ]" 1
455 1 51 CYS HA 1 55 CYS H 0.000 . 4.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
456 1 51 CYS HB2 1 52 MET H 0.000 . 4.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
457 1 51 CYS HB3 1 52 MET H 0.000 . 3.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
458 1 52 MET H 1 53 ARG H 0.000 . 3.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
459 1 52 MET H 1 54 THR H 0.000 . 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
460 1 52 MET HA 1 53 ARG H 0.000 . 4.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
461 1 52 MET HA 1 55 CYS H 0.000 . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
462 1 52 MET HA 1 56 GLY H 0.000 . 4.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
463 1 52 MET HA 1 56 GLY QA 0.000 . 4.000 2.597 2.597 2.597 . 0 0 "[ ]" 1
464 1 52 MET HB3 1 53 ARG H 0.000 . 4.000 2.613 2.613 2.613 . 0 0 "[ ]" 1
465 1 52 MET QG 1 53 ARG H 0.000 . 5.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
466 1 53 ARG H 1 54 THR H 0.000 . 3.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
467 1 53 ARG QB 1 54 THR H 0.000 . 4.000 3.060 3.060 3.060 . 0 0 "[ ]" 1
468 1 54 THR H 1 55 CYS H 0.000 . 3.000 2.452 2.452 2.452 . 0 0 "[ ]" 1
469 1 54 THR H 1 56 GLY H 0.000 . 4.000 3.133 3.133 3.133 . 0 0 "[ ]" 1
470 1 54 THR HA 1 55 CYS H 0.000 . 4.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
471 1 54 THR HB 1 55 CYS H 0.000 . 3.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
472 1 54 THR MG 1 55 CYS H 0.000 . 3.000 3.053 3.053 3.053 0.053 1 0 "[ ]" 1
473 1 54 THR MG 1 55 CYS HA 0.000 . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
474 1 55 CYS H 1 56 GLY H 0.000 . 3.000 2.166 2.166 2.166 . 0 0 "[ ]" 1
475 1 55 CYS HA 1 56 GLY H 0.000 . 4.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
476 1 56 GLY H 1 56 GLY QA 0.000 . 2.500 2.237 2.237 2.237 . 0 0 "[ ]" 1
477 1 56 GLY QA 1 57 GLY H 0.000 . 4.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
478 1 57 GLY QA 1 58 ALA H 0.000 . 3.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
479 1 58 ALA H 1 58 ALA MB 0.000 . 3.000 2.318 2.318 2.318 . 0 0 "[ ]" 1
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