NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383180 |
1jv8   |
5171 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jv8
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 998
_Distance_constraint_stats_list.Viol_total 1246.820
_Distance_constraint_stats_list.Viol_max 0.680
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0543
_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 1.467 0.122 17 0 "[ . 1 . 2 ]"
1 2 PRO 4.425 0.157 10 0 "[ . 1 . 2 ]"
1 3 ASP 0.017 0.011 8 0 "[ . 1 . 2 ]"
1 4 PHE 15.238 0.422 5 0 "[ . 1 . 2 ]"
1 5 CYS 0.235 0.035 15 0 "[ . 1 . 2 ]"
1 6 LEU 1.558 0.123 16 0 "[ . 1 . 2 ]"
1 7 GLU 0.991 0.123 16 0 "[ . 1 . 2 ]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 PRO 0.030 0.021 21 0 "[ . 1 . 2 ]"
1 10 TYR 4.480 0.222 19 0 "[ . 1 . 2 ]"
1 11 THR 0.183 0.045 17 0 "[ . 1 . 2 ]"
1 12 GLY 5.231 0.259 6 0 "[ . 1 . 2 ]"
1 13 PRO 1.300 0.259 6 0 "[ . 1 . 2 ]"
1 14 CYS 0.267 0.037 1 0 "[ . 1 . 2 ]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 ALA 0.133 0.092 12 0 "[ . 1 . 2 ]"
1 17 ARG 0.436 0.054 8 0 "[ . 1 . 2 ]"
1 18 ILE 0.508 0.067 1 0 "[ . 1 . 2 ]"
1 19 ILE 0.638 0.067 1 0 "[ . 1 . 2 ]"
1 20 ARG 0.713 0.052 20 0 "[ . 1 . 2 ]"
1 21 TYR 1.992 0.140 7 0 "[ . 1 . 2 ]"
1 22 PHE 4.595 0.188 14 0 "[ . 1 . 2 ]"
1 23 TYR 6.165 0.188 14 0 "[ . 1 . 2 ]"
1 24 ASN 2.611 0.161 4 0 "[ . 1 . 2 ]"
1 25 ALA 1.639 0.106 4 0 "[ . 1 . 2 ]"
1 26 LYS 0.020 0.010 8 0 "[ . 1 . 2 ]"
1 27 ALA 2.772 0.161 4 0 "[ . 1 . 2 ]"
1 28 GLY 0.245 0.075 4 0 "[ . 1 . 2 ]"
1 29 LEU 3.986 0.311 4 0 "[ . 1 . 2 ]"
1 30 CYS 3.041 0.311 4 0 "[ . 1 . 2 ]"
1 31 GLN 0.366 0.094 5 0 "[ . 1 . 2 ]"
1 32 THR 0.091 0.024 10 0 "[ . 1 . 2 ]"
1 33 PHE 5.844 0.146 12 0 "[ . 1 . 2 ]"
1 34 VAL 1.742 0.105 18 0 "[ . 1 . 2 ]"
1 35 TYR 0.222 0.045 17 0 "[ . 1 . 2 ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ALA 0.133 0.092 12 0 "[ . 1 . 2 ]"
1 38 CYS 0.267 0.037 1 0 "[ . 1 . 2 ]"
1 39 ARG 0.006 0.006 3 0 "[ . 1 . 2 ]"
1 40 ALA 0.133 0.057 23 0 "[ . 1 . 2 ]"
1 41 LYS 0.549 0.057 23 0 "[ . 1 . 2 ]"
1 42 ARG 5.820 0.342 5 0 "[ . 1 . 2 ]"
1 43 ASN 1.807 0.235 21 0 "[ . 1 . 2 ]"
1 44 ASN 1.818 0.146 12 0 "[ . 1 . 2 ]"
1 45 PHE 7.060 0.422 5 0 "[ . 1 . 2 ]"
1 46 LYS 0.275 0.056 7 0 "[ . 1 . 2 ]"
1 47 SER 1.904 0.072 14 0 "[ . 1 . 2 ]"
1 48 ALA 1.499 0.460 7 0 "[ . 1 . 2 ]"
1 49 GLU 3.937 0.680 15 1 "[ . 1 + 2 ]"
1 50 ASP 1.659 0.153 7 0 "[ . 1 . 2 ]"
1 51 CYS 0.608 0.070 17 0 "[ . 1 . 2 ]"
1 52 MET 4.360 0.680 15 1 "[ . 1 + 2 ]"
1 53 ARG 0.072 0.024 21 0 "[ . 1 . 2 ]"
1 54 THR 1.202 0.120 4 0 "[ . 1 . 2 ]"
1 55 CYS 1.523 0.120 4 0 "[ . 1 . 2 ]"
1 56 GLY 0.241 0.044 4 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ALA 0.115 0.058 14 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG HA 1 2 PRO HD2 0.000 . 2.500 2.301 2.103 2.545 0.045 4 0 "[ . 1 . 2 ]" 1
2 1 1 ARG HA 1 2 PRO HD3 0.000 . 2.500 2.292 2.197 2.466 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 ARG QB 1 2 PRO HD2 0.000 . 3.000 2.679 1.822 3.093 0.093 19 0 "[ . 1 . 2 ]" 1
4 1 1 ARG QB 1 55 CYS HA 0.000 . 5.000 4.416 2.877 5.045 0.045 14 0 "[ . 1 . 2 ]" 1
5 1 1 ARG QD 1 6 LEU MD1 0.000 . 5.000 3.704 2.043 4.634 . 0 0 "[ . 1 . 2 ]" 1
6 1 1 ARG QD 1 6 LEU MD2 0.000 . 4.000 2.398 1.604 3.040 . 0 0 "[ . 1 . 2 ]" 1
7 1 1 ARG QD 1 23 TYR QE 0.000 . 3.000 3.000 2.808 3.122 0.122 17 0 "[ . 1 . 2 ]" 1
8 1 1 ARG HE 1 6 LEU MD2 0.000 . 5.000 3.025 1.846 4.673 . 0 0 "[ . 1 . 2 ]" 1
9 1 1 ARG HE 1 23 TYR QE 0.000 . 4.000 3.798 2.960 4.015 0.015 16 0 "[ . 1 . 2 ]" 1
10 1 1 ARG QG 1 55 CYS HA 0.000 . 5.000 3.889 2.748 5.035 0.035 12 0 "[ . 1 . 2 ]" 1
11 1 2 PRO HA 1 3 ASP H 0.000 . 2.500 2.360 2.255 2.448 . 0 0 "[ . 1 . 2 ]" 1
12 1 2 PRO HA 1 4 PHE H 0.000 . 4.000 4.064 3.862 4.154 0.154 12 0 "[ . 1 . 2 ]" 1
13 1 2 PRO HB2 1 3 ASP H 0.000 . 4.000 2.870 2.595 3.296 . 0 0 "[ . 1 . 2 ]" 1
14 1 2 PRO HB2 1 4 PHE H 0.000 . 4.000 2.587 2.432 2.791 . 0 0 "[ . 1 . 2 ]" 1
15 1 2 PRO HB2 1 4 PHE QD 0.000 . 4.000 2.593 2.380 2.871 . 0 0 "[ . 1 . 2 ]" 1
16 1 2 PRO HB2 1 4 PHE QE 0.000 . 4.000 2.596 2.473 2.737 . 0 0 "[ . 1 . 2 ]" 1
17 1 2 PRO HB2 1 4 PHE HZ 0.000 . 5.000 3.704 3.427 3.971 . 0 0 "[ . 1 . 2 ]" 1
18 1 2 PRO HB2 1 5 CYS H 0.000 . 4.000 2.975 2.540 3.287 . 0 0 "[ . 1 . 2 ]" 1
19 1 2 PRO HB3 1 3 ASP H 0.000 . 4.000 3.600 3.455 3.874 . 0 0 "[ . 1 . 2 ]" 1
20 1 2 PRO HB3 1 4 PHE H 0.000 . 4.000 4.097 4.047 4.157 0.157 10 0 "[ . 1 . 2 ]" 1
21 1 2 PRO HB3 1 4 PHE QD 0.000 . 4.000 3.380 3.227 3.648 . 0 0 "[ . 1 . 2 ]" 1
22 1 2 PRO HB3 1 4 PHE QE 0.000 . 4.000 2.248 1.905 2.531 . 0 0 "[ . 1 . 2 ]" 1
23 1 2 PRO HD2 1 55 CYS HA 0.000 . 4.000 3.063 1.989 3.951 . 0 0 "[ . 1 . 2 ]" 1
24 1 3 ASP H 1 4 PHE H 0.000 . 4.000 2.322 2.043 2.630 . 0 0 "[ . 1 . 2 ]" 1
25 1 3 ASP H 1 4 PHE QD 0.000 . 5.000 3.620 2.930 4.046 . 0 0 "[ . 1 . 2 ]" 1
26 1 3 ASP H 1 5 CYS H 0.000 . 5.000 4.016 3.856 4.203 . 0 0 "[ . 1 . 2 ]" 1
27 1 3 ASP H 1 6 LEU MD1 0.000 . 5.000 4.640 4.134 4.977 . 0 0 "[ . 1 . 2 ]" 1
28 1 3 ASP HA 1 4 PHE H 0.000 . 4.000 3.516 3.456 3.555 . 0 0 "[ . 1 . 2 ]" 1
29 1 3 ASP HA 1 5 CYS H 0.000 . 4.000 3.739 3.505 4.011 0.011 8 0 "[ . 1 . 2 ]" 1
30 1 3 ASP HA 1 6 LEU H 0.000 . 4.000 3.308 3.052 3.476 . 0 0 "[ . 1 . 2 ]" 1
31 1 3 ASP HA 1 6 LEU QB 0.000 . 4.000 3.306 2.810 3.738 . 0 0 "[ . 1 . 2 ]" 1
32 1 3 ASP HA 1 6 LEU MD1 0.000 . 4.000 2.334 1.830 2.812 . 0 0 "[ . 1 . 2 ]" 1
33 1 3 ASP HA 1 6 LEU MD2 0.000 . 5.000 4.089 3.084 4.868 . 0 0 "[ . 1 . 2 ]" 1
34 1 3 ASP HA 1 6 LEU HG 0.000 . 4.000 2.606 1.977 3.467 . 0 0 "[ . 1 . 2 ]" 1
35 1 3 ASP QB 1 4 PHE H 0.000 . 4.000 3.054 2.805 3.657 . 0 0 "[ . 1 . 2 ]" 1
36 1 4 PHE H 1 5 CYS H 0.000 . 4.000 2.608 2.523 2.664 . 0 0 "[ . 1 . 2 ]" 1
37 1 4 PHE H 1 6 LEU H 0.000 . 5.000 4.180 4.000 4.327 . 0 0 "[ . 1 . 2 ]" 1
38 1 4 PHE HA 1 5 CYS H 0.000 . 4.000 3.450 3.408 3.504 . 0 0 "[ . 1 . 2 ]" 1
39 1 4 PHE HA 1 6 LEU H 0.000 . 4.000 3.993 3.681 4.090 0.090 18 0 "[ . 1 . 2 ]" 1
40 1 4 PHE HB2 1 42 ARG H 0.000 . 5.000 3.869 3.119 5.052 0.052 13 0 "[ . 1 . 2 ]" 1
41 1 4 PHE HB2 1 42 ARG HB2 0.000 . 4.000 2.519 1.824 4.172 0.172 21 0 "[ . 1 . 2 ]" 1
42 1 4 PHE HB2 1 42 ARG HB3 0.000 . 5.000 3.696 3.403 4.414 . 0 0 "[ . 1 . 2 ]" 1
43 1 4 PHE HB2 1 42 ARG HE 0.000 . 4.000 3.273 1.840 4.133 0.133 7 0 "[ . 1 . 2 ]" 1
44 1 4 PHE QD 1 5 CYS HA 0.000 . 4.000 2.921 2.521 3.357 . 0 0 "[ . 1 . 2 ]" 1
45 1 4 PHE QD 1 42 ARG HB2 0.000 . 4.000 2.794 2.212 3.820 . 0 0 "[ . 1 . 2 ]" 1
46 1 4 PHE QD 1 42 ARG HB3 0.000 . 4.000 3.450 2.710 4.282 0.282 5 0 "[ . 1 . 2 ]" 1
47 1 4 PHE QD 1 42 ARG QD 0.000 . 3.000 2.582 2.085 3.006 0.006 22 0 "[ . 1 . 2 ]" 1
48 1 4 PHE QD 1 43 ASN HA 0.000 . 4.000 3.152 2.835 3.825 . 0 0 "[ . 1 . 2 ]" 1
49 1 4 PHE QD 1 43 ASN HB2 0.000 . 4.000 3.313 2.895 3.996 . 0 0 "[ . 1 . 2 ]" 1
50 1 4 PHE QD 1 45 PHE HZ 0.000 . 3.000 3.186 3.103 3.422 0.422 5 0 "[ . 1 . 2 ]" 1
51 1 4 PHE QE 1 42 ARG HB3 0.000 . 5.000 3.838 2.863 5.175 0.175 21 0 "[ . 1 . 2 ]" 1
52 1 4 PHE QE 1 42 ARG QD 0.000 . 4.000 3.663 3.062 4.342 0.342 5 0 "[ . 1 . 2 ]" 1
53 1 4 PHE QE 1 43 ASN HA 0.000 . 4.000 3.982 3.658 4.076 0.076 5 0 "[ . 1 . 2 ]" 1
54 1 4 PHE QE 1 45 PHE HZ 0.000 . 2.500 1.805 1.759 1.838 . 0 0 "[ . 1 . 2 ]" 1
55 1 4 PHE QE 1 54 THR MG 0.000 . 3.000 2.277 1.963 2.599 . 0 0 "[ . 1 . 2 ]" 1
56 1 4 PHE HZ 1 42 ARG HB2 0.000 . 5.000 4.836 3.937 5.061 0.061 2 0 "[ . 1 . 2 ]" 1
57 1 4 PHE HZ 1 45 PHE HZ 0.000 . 4.000 4.032 3.858 4.083 0.083 15 0 "[ . 1 . 2 ]" 1
58 1 4 PHE HZ 1 54 THR MG 0.000 . 3.000 1.916 1.725 2.164 . 0 0 "[ . 1 . 2 ]" 1
59 1 5 CYS H 1 6 LEU H 0.000 . 3.000 2.406 2.288 2.552 . 0 0 "[ . 1 . 2 ]" 1
60 1 5 CYS HA 1 6 LEU H 0.000 . 4.000 3.493 3.385 3.530 . 0 0 "[ . 1 . 2 ]" 1
61 1 5 CYS HA 1 7 GLU H 0.000 . 4.000 3.962 3.793 4.035 0.035 15 0 "[ . 1 . 2 ]" 1
62 1 5 CYS HA 1 43 ASN HD21 0.000 . 4.000 2.412 1.836 3.568 . 0 0 "[ . 1 . 2 ]" 1
63 1 5 CYS HA 1 43 ASN HD22 0.000 . 5.000 2.663 2.104 3.231 . 0 0 "[ . 1 . 2 ]" 1
64 1 5 CYS QB 1 6 LEU H 0.000 . 4.000 2.874 2.716 3.193 . 0 0 "[ . 1 . 2 ]" 1
65 1 5 CYS QB 1 6 LEU MD1 0.000 . 5.000 4.324 3.838 4.789 . 0 0 "[ . 1 . 2 ]" 1
66 1 5 CYS QB 1 6 LEU MD2 0.000 . 5.000 2.930 2.324 3.468 . 0 0 "[ . 1 . 2 ]" 1
67 1 5 CYS QB 1 55 CYS QB 0.000 . 3.000 2.445 1.875 3.021 0.021 19 0 "[ . 1 . 2 ]" 1
68 1 6 LEU H 1 7 GLU H 0.000 . 2.500 2.388 2.220 2.509 0.009 21 0 "[ . 1 . 2 ]" 1
69 1 6 LEU HA 1 6 LEU MD2 0.000 . 2.500 2.048 1.844 2.428 . 0 0 "[ . 1 . 2 ]" 1
70 1 6 LEU HA 1 7 GLU H 0.000 . 4.000 3.446 3.323 3.509 . 0 0 "[ . 1 . 2 ]" 1
71 1 6 LEU HA 1 25 ALA MB 0.000 . 3.000 2.155 1.820 3.106 0.106 4 0 "[ . 1 . 2 ]" 1
72 1 6 LEU QB 1 7 GLU H 0.000 . 4.000 2.980 2.746 3.278 . 0 0 "[ . 1 . 2 ]" 1
73 1 6 LEU MD1 1 7 GLU H 0.000 . 5.000 4.782 4.513 4.981 . 0 0 "[ . 1 . 2 ]" 1
74 1 6 LEU MD1 1 23 TYR QE 0.000 . 5.000 4.689 3.928 5.019 0.019 20 0 "[ . 1 . 2 ]" 1
75 1 6 LEU MD2 1 7 GLU H 0.000 . 5.000 4.413 4.140 4.801 . 0 0 "[ . 1 . 2 ]" 1
76 1 6 LEU MD2 1 23 TYR QE 0.000 . 4.000 2.345 1.810 2.898 . 0 0 "[ . 1 . 2 ]" 1
77 1 6 LEU MD2 1 25 ALA H 0.000 . 5.000 4.165 3.762 5.027 0.027 4 0 "[ . 1 . 2 ]" 1
78 1 6 LEU MD2 1 25 ALA MB 0.000 . 3.000 2.142 1.718 3.066 0.066 16 0 "[ . 1 . 2 ]" 1
79 1 6 LEU HG 1 7 GLU H 0.000 . 4.000 4.022 3.917 4.123 0.123 16 0 "[ . 1 . 2 ]" 1
80 1 7 GLU H 1 43 ASN HD21 0.000 . 4.000 3.717 2.774 4.038 0.038 3 0 "[ . 1 . 2 ]" 1
81 1 7 GLU H 1 43 ASN HD22 0.000 . 5.000 3.986 3.280 4.700 . 0 0 "[ . 1 . 2 ]" 1
82 1 7 GLU HA 1 8 PRO QD 0.000 . 2.500 2.130 2.058 2.230 . 0 0 "[ . 1 . 2 ]" 1
83 1 7 GLU QB 1 43 ASN HD21 0.000 . 4.000 3.668 2.772 4.010 0.010 23 0 "[ . 1 . 2 ]" 1
84 1 8 PRO HB2 1 9 PRO HD2 0.000 . 4.000 2.130 1.863 2.408 . 0 0 "[ . 1 . 2 ]" 1
85 1 8 PRO HB3 1 9 PRO HD2 0.000 . 4.000 2.827 2.727 2.957 . 0 0 "[ . 1 . 2 ]" 1
86 1 9 PRO HA 1 10 TYR H 0.000 . 3.000 2.533 2.357 2.836 . 0 0 "[ . 1 . 2 ]" 1
87 1 9 PRO HB2 1 10 TYR H 0.000 . 5.000 2.547 1.869 3.001 . 0 0 "[ . 1 . 2 ]" 1
88 1 9 PRO HB2 1 33 PHE QD 0.000 . 5.000 2.506 2.347 2.768 . 0 0 "[ . 1 . 2 ]" 1
89 1 9 PRO HB2 1 33 PHE QE 0.000 . 4.000 3.243 2.841 3.581 . 0 0 "[ . 1 . 2 ]" 1
90 1 9 PRO HB3 1 10 TYR H 0.000 . 4.000 3.472 3.191 3.711 . 0 0 "[ . 1 . 2 ]" 1
91 1 9 PRO HB3 1 33 PHE QD 0.000 . 4.000 3.180 2.813 3.339 . 0 0 "[ . 1 . 2 ]" 1
92 1 9 PRO HB3 1 33 PHE QE 0.000 . 4.000 3.860 3.642 4.021 0.021 21 0 "[ . 1 . 2 ]" 1
93 1 9 PRO HD3 1 22 PHE QE 0.000 . 4.000 2.961 2.537 3.497 . 0 0 "[ . 1 . 2 ]" 1
94 1 9 PRO HG3 1 22 PHE QE 0.000 . 4.000 3.473 3.158 3.731 . 0 0 "[ . 1 . 2 ]" 1
95 1 9 PRO HG3 1 22 PHE HZ 0.000 . 5.000 3.940 3.466 4.316 . 0 0 "[ . 1 . 2 ]" 1
96 1 10 TYR H 1 33 PHE QD 0.000 . 4.000 3.884 3.403 4.060 0.060 14 0 "[ . 1 . 2 ]" 1
97 1 10 TYR HA 1 11 THR H 0.000 . 2.500 2.290 2.268 2.303 . 0 0 "[ . 1 . 2 ]" 1
98 1 10 TYR HA 1 12 GLY H 0.000 . 3.000 3.171 3.132 3.222 0.222 19 0 "[ . 1 . 2 ]" 1
99 1 10 TYR QB 1 11 THR H 0.000 . 5.000 4.020 3.983 4.035 . 0 0 "[ . 1 . 2 ]" 1
100 1 10 TYR QB 1 41 LYS H 0.000 . 5.000 3.303 2.737 3.790 . 0 0 "[ . 1 . 2 ]" 1
101 1 10 TYR QB 1 41 LYS HB2 0.000 . 4.000 3.193 2.393 3.657 . 0 0 "[ . 1 . 2 ]" 1
102 1 10 TYR QB 1 41 LYS QD 0.000 . 3.000 2.274 1.821 3.020 0.020 19 0 "[ . 1 . 2 ]" 1
103 1 10 TYR QD 1 11 THR H 0.000 . 5.000 4.140 3.804 4.289 . 0 0 "[ . 1 . 2 ]" 1
104 1 10 TYR QD 1 12 GLY HA2 0.000 . 5.000 3.494 2.979 3.907 . 0 0 "[ . 1 . 2 ]" 1
105 1 10 TYR QD 1 12 GLY HA3 0.000 . 4.000 3.388 2.989 3.830 . 0 0 "[ . 1 . 2 ]" 1
106 1 10 TYR QD 1 39 ARG QB 0.000 . 4.000 3.582 2.796 4.006 0.006 3 0 "[ . 1 . 2 ]" 1
107 1 10 TYR QD 1 40 ALA HA 0.000 . 4.000 3.044 2.226 3.848 . 0 0 "[ . 1 . 2 ]" 1
108 1 10 TYR QD 1 41 LYS H 0.000 . 4.000 3.913 3.516 4.043 0.043 14 0 "[ . 1 . 2 ]" 1
109 1 10 TYR QD 1 41 LYS QD 0.000 . 3.000 2.733 2.166 3.007 0.007 22 0 "[ . 1 . 2 ]" 1
110 1 10 TYR QE 1 12 GLY HA2 0.000 . 4.000 2.684 2.274 2.996 . 0 0 "[ . 1 . 2 ]" 1
111 1 10 TYR QE 1 12 GLY HA3 0.000 . 4.000 3.085 2.345 3.786 . 0 0 "[ . 1 . 2 ]" 1
112 1 10 TYR QE 1 13 PRO QD 0.000 . 4.000 2.888 2.502 3.238 . 0 0 "[ . 1 . 2 ]" 1
113 1 10 TYR QE 1 39 ARG QB 0.000 . 3.000 2.186 1.742 2.966 . 0 0 "[ . 1 . 2 ]" 1
114 1 11 THR H 1 12 GLY H 0.000 . 4.000 2.568 2.487 2.692 . 0 0 "[ . 1 . 2 ]" 1
115 1 11 THR HA 1 33 PHE QD 0.000 . 4.000 3.469 3.072 3.967 . 0 0 "[ . 1 . 2 ]" 1
116 1 11 THR HA 1 33 PHE QE 0.000 . 3.000 2.697 2.431 2.886 . 0 0 "[ . 1 . 2 ]" 1
117 1 11 THR HA 1 35 TYR HA 0.000 . 2.500 2.315 2.104 2.484 . 0 0 "[ . 1 . 2 ]" 1
118 1 11 THR HA 1 35 TYR HD1 0.000 . 4.000 3.299 3.081 3.588 . 0 0 "[ . 1 . 2 ]" 1
119 1 11 THR HA 1 36 GLY H 0.000 . 4.000 2.861 2.554 3.362 . 0 0 "[ . 1 . 2 ]" 1
120 1 11 THR HB 1 12 GLY H 0.000 . 4.000 3.009 2.981 3.024 . 0 0 "[ . 1 . 2 ]" 1
121 1 11 THR MG 1 12 GLY H 0.000 . 4.000 3.369 3.275 3.429 . 0 0 "[ . 1 . 2 ]" 1
122 1 11 THR MG 1 35 TYR HA 0.000 . 4.000 3.955 3.787 4.045 0.045 17 0 "[ . 1 . 2 ]" 1
123 1 11 THR MG 1 36 GLY QA 0.000 . 5.000 3.048 2.673 3.452 . 0 0 "[ . 1 . 2 ]" 1
124 1 12 GLY H 1 12 GLY HA3 0.000 . 3.000 2.863 2.822 2.909 . 0 0 "[ . 1 . 2 ]" 1
125 1 12 GLY HA3 1 13 PRO QD 0.000 . 2.500 2.439 2.049 2.759 0.259 6 0 "[ . 1 . 2 ]" 1
126 1 13 PRO QB 1 39 ARG QD 0.000 . 5.000 4.349 3.497 4.993 . 0 0 "[ . 1 . 2 ]" 1
127 1 13 PRO QD 1 39 ARG QB 0.000 . 4.000 2.500 1.852 3.202 . 0 0 "[ . 1 . 2 ]" 1
128 1 14 CYS HA 1 15 LYS H 0.000 . 4.000 2.647 2.287 2.831 . 0 0 "[ . 1 . 2 ]" 1
129 1 14 CYS HB2 1 38 CYS H 0.000 . 4.000 3.948 3.368 4.037 0.037 1 0 "[ . 1 . 2 ]" 1
130 1 14 CYS HB3 1 15 LYS H 0.000 . 4.000 2.220 1.840 3.069 . 0 0 "[ . 1 . 2 ]" 1
131 1 14 CYS HB3 1 16 ALA H 0.000 . 4.000 2.508 2.158 3.011 . 0 0 "[ . 1 . 2 ]" 1
132 1 15 LYS HA 1 16 ALA H 0.000 . 4.000 3.202 2.786 3.542 . 0 0 "[ . 1 . 2 ]" 1
133 1 15 LYS HB3 1 16 ALA H 0.000 . 5.000 4.115 3.132 4.707 . 0 0 "[ . 1 . 2 ]" 1
134 1 16 ALA H 1 36 GLY QA 0.000 . 4.000 3.406 2.927 3.904 . 0 0 "[ . 1 . 2 ]" 1
135 1 16 ALA H 1 37 ALA MB 0.000 . 4.000 3.893 3.656 4.092 0.092 12 0 "[ . 1 . 2 ]" 1
136 1 16 ALA HA 1 17 ARG H 0.000 . 3.000 2.491 2.318 2.736 . 0 0 "[ . 1 . 2 ]" 1
137 1 16 ALA MB 1 17 ARG H 0.000 . 3.000 2.485 2.090 2.853 . 0 0 "[ . 1 . 2 ]" 1
138 1 16 ALA MB 1 18 ILE MD 0.000 . 4.000 2.800 1.870 3.729 . 0 0 "[ . 1 . 2 ]" 1
139 1 16 ALA MB 1 36 GLY QA 0.000 . 4.000 2.978 2.221 3.772 . 0 0 "[ . 1 . 2 ]" 1
140 1 16 ALA MB 1 37 ALA HA 0.000 . 5.000 4.227 3.840 4.776 . 0 0 "[ . 1 . 2 ]" 1
141 1 17 ARG HA 1 18 ILE H 0.000 . 2.500 2.483 2.247 2.554 0.054 8 0 "[ . 1 . 2 ]" 1
142 1 17 ARG HA 1 34 VAL MG1 0.000 . 2.500 2.397 2.004 2.530 0.030 1 0 "[ . 1 . 2 ]" 1
143 1 18 ILE H 1 19 ILE H 0.000 . 5.000 4.605 4.437 4.664 . 0 0 "[ . 1 . 2 ]" 1
144 1 18 ILE H 1 34 VAL MG1 0.000 . 4.000 3.581 3.072 3.966 . 0 0 "[ . 1 . 2 ]" 1
145 1 18 ILE H 1 35 TYR H 0.000 . 4.000 3.069 2.325 3.665 . 0 0 "[ . 1 . 2 ]" 1
146 1 18 ILE HA 1 19 ILE H 0.000 . 2.500 2.358 2.252 2.447 . 0 0 "[ . 1 . 2 ]" 1
147 1 18 ILE HB 1 35 TYR H 0.000 . 5.000 3.513 3.083 3.922 . 0 0 "[ . 1 . 2 ]" 1
148 1 18 ILE HB 1 35 TYR HB3 0.000 . 4.000 2.135 1.839 2.552 . 0 0 "[ . 1 . 2 ]" 1
149 1 18 ILE HB 1 35 TYR HD2 0.000 . 4.000 2.654 2.182 2.939 . 0 0 "[ . 1 . 2 ]" 1
150 1 18 ILE MD 1 19 ILE H 0.000 . 5.000 4.838 4.378 5.067 0.067 1 0 "[ . 1 . 2 ]" 1
151 1 18 ILE MD 1 35 TYR HD2 0.000 . 5.000 2.556 1.897 2.919 . 0 0 "[ . 1 . 2 ]" 1
152 1 18 ILE MD 1 35 TYR QE 0.000 . 4.000 3.456 2.768 4.026 0.026 19 0 "[ . 1 . 2 ]" 1
153 1 18 ILE MD 1 35 TYR HE2 0.000 . 5.000 3.480 2.776 4.088 . 0 0 "[ . 1 . 2 ]" 1
154 1 18 ILE MD 1 37 ALA HA 0.000 . 5.000 2.733 1.889 3.589 . 0 0 "[ . 1 . 2 ]" 1
155 1 18 ILE MD 1 37 ALA MB 0.000 . 3.000 2.085 1.669 2.814 . 0 0 "[ . 1 . 2 ]" 1
156 1 18 ILE MG 1 19 ILE H 0.000 . 4.000 2.064 1.819 2.579 . 0 0 "[ . 1 . 2 ]" 1
157 1 18 ILE MG 1 20 ARG QD 0.000 . 5.000 3.686 3.270 3.994 . 0 0 "[ . 1 . 2 ]" 1
158 1 18 ILE MG 1 20 ARG HE 0.000 . 3.000 2.347 1.889 3.039 0.039 12 0 "[ . 1 . 2 ]" 1
159 1 18 ILE MG 1 35 TYR HD2 0.000 . 4.000 2.958 2.531 3.513 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 ILE MG 1 35 TYR QE 0.000 . 5.000 4.546 4.131 5.009 0.009 6 0 "[ . 1 . 2 ]" 1
161 1 19 ILE H 1 20 ARG H 0.000 . 4.000 3.987 3.856 4.052 0.052 20 0 "[ . 1 . 2 ]" 1
162 1 19 ILE HA 1 20 ARG H 0.000 . 2.500 2.378 2.314 2.455 . 0 0 "[ . 1 . 2 ]" 1
163 1 19 ILE HA 1 34 VAL HA 0.000 . 4.000 3.420 2.941 3.698 . 0 0 "[ . 1 . 2 ]" 1
164 1 19 ILE MD 1 20 ARG H 0.000 . 4.000 3.879 3.650 4.002 0.002 14 0 "[ . 1 . 2 ]" 1
165 1 19 ILE MD 1 32 THR HB 0.000 . 4.000 3.202 2.349 3.791 . 0 0 "[ . 1 . 2 ]" 1
166 1 19 ILE MD 1 34 VAL HA 0.000 . 5.000 3.201 2.513 3.699 . 0 0 "[ . 1 . 2 ]" 1
167 1 19 ILE MG 1 20 ARG H 0.000 . 4.000 3.565 3.424 3.753 . 0 0 "[ . 1 . 2 ]" 1
168 1 19 ILE MG 1 21 TYR QD 0.000 . 5.000 4.521 4.318 4.682 . 0 0 "[ . 1 . 2 ]" 1
169 1 19 ILE MG 1 21 TYR QE 0.000 . 4.000 3.882 3.414 4.041 0.041 7 0 "[ . 1 . 2 ]" 1
170 1 19 ILE MG 1 32 THR HA 0.000 . 4.000 3.497 3.235 3.887 . 0 0 "[ . 1 . 2 ]" 1
171 1 19 ILE MG 1 32 THR HB 0.000 . 2.500 1.917 1.745 2.414 . 0 0 "[ . 1 . 2 ]" 1
172 1 19 ILE MG 1 33 PHE H 0.000 . 4.000 3.487 3.188 3.803 . 0 0 "[ . 1 . 2 ]" 1
173 1 19 ILE MG 1 33 PHE HA 0.000 . 5.000 4.849 4.546 5.025 0.025 14 0 "[ . 1 . 2 ]" 1
174 1 20 ARG H 1 32 THR HB 0.000 . 5.000 4.831 4.595 5.019 0.019 1 0 "[ . 1 . 2 ]" 1
175 1 20 ARG H 1 33 PHE H 0.000 . 4.000 3.277 3.060 3.498 . 0 0 "[ . 1 . 2 ]" 1
176 1 20 ARG H 1 34 VAL HA 0.000 . 4.000 3.951 3.825 4.049 0.049 21 0 "[ . 1 . 2 ]" 1
177 1 20 ARG H 1 35 TYR H 0.000 . 5.000 3.213 2.626 3.833 . 0 0 "[ . 1 . 2 ]" 1
178 1 20 ARG HA 1 21 TYR H 0.000 . 3.000 2.568 2.483 2.661 . 0 0 "[ . 1 . 2 ]" 1
179 1 20 ARG HA 1 21 TYR QD 0.000 . 5.000 3.203 2.714 3.659 . 0 0 "[ . 1 . 2 ]" 1
180 1 20 ARG HB2 1 21 TYR H 0.000 . 4.000 3.671 3.472 3.907 . 0 0 "[ . 1 . 2 ]" 1
181 1 20 ARG HB2 1 33 PHE QD 0.000 . 4.000 3.659 3.562 3.806 . 0 0 "[ . 1 . 2 ]" 1
182 1 20 ARG HB2 1 33 PHE QE 0.000 . 4.000 2.777 2.535 2.976 . 0 0 "[ . 1 . 2 ]" 1
183 1 20 ARG HB3 1 33 PHE QE 0.000 . 4.000 2.323 1.980 2.617 . 0 0 "[ . 1 . 2 ]" 1
184 1 20 ARG HB3 1 45 PHE H 0.000 . 4.000 3.874 3.591 4.025 0.025 5 0 "[ . 1 . 2 ]" 1
185 1 20 ARG QD 1 21 TYR H 0.000 . 4.000 2.854 2.541 3.183 . 0 0 "[ . 1 . 2 ]" 1
186 1 20 ARG QD 1 45 PHE H 0.000 . 5.000 4.467 4.189 4.765 . 0 0 "[ . 1 . 2 ]" 1
187 1 20 ARG QD 1 46 LYS HA 0.000 . 3.000 2.047 1.789 2.557 . 0 0 "[ . 1 . 2 ]" 1
188 1 20 ARG HE 1 46 LYS HA 0.000 . 4.000 3.463 2.489 4.019 0.019 12 0 "[ . 1 . 2 ]" 1
189 1 20 ARG QG 1 35 TYR QB 0.000 . 4.000 1.949 1.789 2.193 . 0 0 "[ . 1 . 2 ]" 1
190 1 20 ARG QG 1 35 TYR HD2 0.000 . 5.000 2.157 1.946 2.404 . 0 0 "[ . 1 . 2 ]" 1
191 1 21 TYR H 1 33 PHE QE 0.000 . 5.000 3.204 3.012 3.404 . 0 0 "[ . 1 . 2 ]" 1
192 1 21 TYR H 1 45 PHE H 0.000 . 4.000 3.080 2.837 3.341 . 0 0 "[ . 1 . 2 ]" 1
193 1 21 TYR H 1 45 PHE HB2 0.000 . 4.000 3.567 3.291 3.738 . 0 0 "[ . 1 . 2 ]" 1
194 1 21 TYR HA 1 22 PHE H 0.000 . 2.500 2.279 2.237 2.319 . 0 0 "[ . 1 . 2 ]" 1
195 1 21 TYR HA 1 32 THR HA 0.000 . 2.500 2.248 1.983 2.512 0.012 1 0 "[ . 1 . 2 ]" 1
196 1 21 TYR HA 1 32 THR MG 0.000 . 4.000 3.190 2.573 3.760 . 0 0 "[ . 1 . 2 ]" 1
197 1 21 TYR HA 1 33 PHE H 0.000 . 5.000 3.480 3.332 3.692 . 0 0 "[ . 1 . 2 ]" 1
198 1 21 TYR HA 1 33 PHE QD 0.000 . 4.000 3.087 2.834 3.244 . 0 0 "[ . 1 . 2 ]" 1
199 1 21 TYR HA 1 33 PHE QE 0.000 . 4.000 4.033 3.998 4.072 0.072 12 0 "[ . 1 . 2 ]" 1
200 1 21 TYR QB 1 45 PHE H 0.000 . 4.000 3.207 2.956 3.451 . 0 0 "[ . 1 . 2 ]" 1
201 1 21 TYR QD 1 22 PHE H 0.000 . 5.000 3.586 3.176 3.965 . 0 0 "[ . 1 . 2 ]" 1
202 1 21 TYR QD 1 30 CYS HB3 0.000 . 4.000 3.218 2.622 3.703 . 0 0 "[ . 1 . 2 ]" 1
203 1 21 TYR QD 1 31 GLN H 0.000 . 5.000 4.017 3.437 4.649 . 0 0 "[ . 1 . 2 ]" 1
204 1 21 TYR QD 1 31 GLN HA 0.000 . 4.000 3.758 3.202 3.977 . 0 0 "[ . 1 . 2 ]" 1
205 1 21 TYR QD 1 32 THR H 0.000 . 5.000 4.445 4.143 4.756 . 0 0 "[ . 1 . 2 ]" 1
206 1 21 TYR QD 1 32 THR HA 0.000 . 4.000 3.713 3.452 3.931 . 0 0 "[ . 1 . 2 ]" 1
207 1 21 TYR QD 1 32 THR MG 0.000 . 4.000 2.925 2.616 3.272 . 0 0 "[ . 1 . 2 ]" 1
208 1 21 TYR QD 1 45 PHE H 0.000 . 5.000 5.031 4.774 5.140 0.140 7 0 "[ . 1 . 2 ]" 1
209 1 21 TYR QD 1 45 PHE HB2 0.000 . 5.000 4.105 3.922 4.324 . 0 0 "[ . 1 . 2 ]" 1
210 1 21 TYR QD 1 46 LYS HA 0.000 . 4.000 3.377 3.109 3.698 . 0 0 "[ . 1 . 2 ]" 1
211 1 21 TYR QD 1 47 SER H 0.000 . 4.000 3.494 2.819 3.750 . 0 0 "[ . 1 . 2 ]" 1
212 1 21 TYR QD 1 47 SER HA 0.000 . 4.000 2.785 2.417 3.210 . 0 0 "[ . 1 . 2 ]" 1
213 1 21 TYR QD 1 48 ALA H 0.000 . 4.000 3.795 3.570 4.097 0.097 7 0 "[ . 1 . 2 ]" 1
214 1 21 TYR QD 1 48 ALA HA 0.000 . 4.000 3.011 2.677 3.541 . 0 0 "[ . 1 . 2 ]" 1
215 1 21 TYR QD 1 48 ALA MB 0.000 . 4.000 2.952 2.411 3.968 . 0 0 "[ . 1 . 2 ]" 1
216 1 21 TYR QE 1 31 GLN HA 0.000 . 5.000 4.285 3.236 5.002 0.002 5 0 "[ . 1 . 2 ]" 1
217 1 21 TYR QE 1 32 THR H 0.000 . 5.000 4.545 4.024 5.008 0.008 13 0 "[ . 1 . 2 ]" 1
218 1 21 TYR QE 1 32 THR MG 0.000 . 3.000 2.395 2.124 2.772 . 0 0 "[ . 1 . 2 ]" 1
219 1 21 TYR QE 1 46 LYS HA 0.000 . 5.000 4.904 4.611 5.018 0.018 15 0 "[ . 1 . 2 ]" 1
220 1 21 TYR QE 1 47 SER HA 0.000 . 4.000 2.780 2.483 3.124 . 0 0 "[ . 1 . 2 ]" 1
221 1 21 TYR QE 1 48 ALA H 0.000 . 4.000 3.564 3.343 3.773 . 0 0 "[ . 1 . 2 ]" 1
222 1 21 TYR QE 1 48 ALA HA 0.000 . 5.000 4.100 3.348 4.632 . 0 0 "[ . 1 . 2 ]" 1
223 1 21 TYR QE 1 48 ALA MB 0.000 . 3.000 2.669 2.192 3.008 0.008 7 0 "[ . 1 . 2 ]" 1
224 1 22 PHE H 1 30 CYS HA 0.000 . 5.000 4.159 3.987 4.429 . 0 0 "[ . 1 . 2 ]" 1
225 1 22 PHE H 1 31 GLN H 0.000 . 4.000 2.568 2.344 2.760 . 0 0 "[ . 1 . 2 ]" 1
226 1 22 PHE H 1 33 PHE QD 0.000 . 4.000 3.334 3.104 3.534 . 0 0 "[ . 1 . 2 ]" 1
227 1 22 PHE HA 1 23 TYR H 0.000 . 3.000 2.403 2.322 2.632 . 0 0 "[ . 1 . 2 ]" 1
228 1 22 PHE HA 1 43 ASN HD22 0.000 . 5.000 4.432 4.010 4.839 . 0 0 "[ . 1 . 2 ]" 1
229 1 22 PHE HA 1 45 PHE H 0.000 . 5.000 3.249 3.052 3.508 . 0 0 "[ . 1 . 2 ]" 1
230 1 22 PHE HA 1 45 PHE QD 0.000 . 4.000 2.193 1.859 2.777 . 0 0 "[ . 1 . 2 ]" 1
231 1 22 PHE HB2 1 23 TYR H 0.000 . 4.000 2.854 2.492 3.001 . 0 0 "[ . 1 . 2 ]" 1
232 1 22 PHE HB2 1 33 PHE QD 0.000 . 4.000 4.053 4.006 4.087 0.087 6 0 "[ . 1 . 2 ]" 1
233 1 22 PHE HB2 1 43 ASN HD21 0.000 . 5.000 4.259 3.535 4.885 . 0 0 "[ . 1 . 2 ]" 1
234 1 22 PHE HB2 1 43 ASN HD22 0.000 . 4.000 3.534 3.141 4.039 0.039 4 0 "[ . 1 . 2 ]" 1
235 1 22 PHE HB3 1 23 TYR H 0.000 . 4.000 4.113 3.888 4.188 0.188 14 0 "[ . 1 . 2 ]" 1
236 1 22 PHE HB3 1 33 PHE QD 0.000 . 3.000 2.370 2.311 2.416 . 0 0 "[ . 1 . 2 ]" 1
237 1 22 PHE HB3 1 33 PHE QE 0.000 . 3.000 2.816 2.616 3.019 0.019 4 0 "[ . 1 . 2 ]" 1
238 1 22 PHE QD 1 23 TYR H 0.000 . 5.000 2.963 2.338 3.403 . 0 0 "[ . 1 . 2 ]" 1
239 1 22 PHE QD 1 33 PHE HB3 0.000 . 4.000 2.136 1.908 2.381 . 0 0 "[ . 1 . 2 ]" 1
240 1 22 PHE QE 1 24 ASN HA 0.000 . 3.000 2.106 1.905 2.269 . 0 0 "[ . 1 . 2 ]" 1
241 1 22 PHE QE 1 24 ASN HB2 0.000 . 3.000 2.771 2.444 3.006 0.006 13 0 "[ . 1 . 2 ]" 1
242 1 22 PHE QE 1 24 ASN HD21 0.000 . 5.000 4.055 3.621 4.602 . 0 0 "[ . 1 . 2 ]" 1
243 1 22 PHE QE 1 31 GLN H 0.000 . 5.000 3.973 3.748 4.329 . 0 0 "[ . 1 . 2 ]" 1
244 1 22 PHE QE 1 31 GLN HB2 0.000 . 3.000 2.542 2.286 2.916 . 0 0 "[ . 1 . 2 ]" 1
245 1 22 PHE QE 1 33 PHE HA 0.000 . 4.000 3.987 3.848 4.051 0.051 23 0 "[ . 1 . 2 ]" 1
246 1 22 PHE QE 1 33 PHE HB3 0.000 . 3.000 2.614 2.377 2.847 . 0 0 "[ . 1 . 2 ]" 1
247 1 22 PHE HZ 1 24 ASN HA 0.000 . 4.000 3.937 3.359 4.052 0.052 23 0 "[ . 1 . 2 ]" 1
248 1 22 PHE HZ 1 24 ASN HB2 0.000 . 4.000 2.774 2.288 3.166 . 0 0 "[ . 1 . 2 ]" 1
249 1 22 PHE HZ 1 24 ASN HD21 0.000 . 4.000 3.189 2.385 4.020 0.020 14 0 "[ . 1 . 2 ]" 1
250 1 23 TYR H 1 43 ASN HD21 0.000 . 4.000 3.756 3.318 4.034 0.034 1 0 "[ . 1 . 2 ]" 1
251 1 23 TYR H 1 43 ASN HD22 0.000 . 4.000 2.693 2.285 3.019 . 0 0 "[ . 1 . 2 ]" 1
252 1 23 TYR HA 1 24 ASN H 0.000 . 2.500 2.245 2.196 2.345 . 0 0 "[ . 1 . 2 ]" 1
253 1 23 TYR HA 1 30 CYS HA 0.000 . 2.500 1.986 1.846 2.295 . 0 0 "[ . 1 . 2 ]" 1
254 1 23 TYR HA 1 31 GLN H 0.000 . 4.000 3.669 3.340 3.942 . 0 0 "[ . 1 . 2 ]" 1
255 1 23 TYR HB2 1 55 CYS QB 0.000 . 3.000 2.747 1.970 3.072 0.072 1 0 "[ . 1 . 2 ]" 1
256 1 23 TYR HB3 1 43 ASN HD21 0.000 . 5.000 3.909 3.420 4.362 . 0 0 "[ . 1 . 2 ]" 1
257 1 23 TYR HB3 1 43 ASN HD22 0.000 . 3.000 2.842 2.224 3.059 0.059 3 0 "[ . 1 . 2 ]" 1
258 1 23 TYR HD2 1 25 ALA MB 0.000 . 5.000 3.440 2.624 4.862 . 0 0 "[ . 1 . 2 ]" 1
259 1 23 TYR QE 1 25 ALA H 0.000 . 5.000 4.139 3.779 4.343 . 0 0 "[ . 1 . 2 ]" 1
260 1 23 TYR QE 1 25 ALA HA 0.000 . 3.000 2.530 2.069 3.004 0.004 7 0 "[ . 1 . 2 ]" 1
261 1 23 TYR QE 1 25 ALA MB 0.000 . 3.000 2.963 2.124 3.077 0.077 4 0 "[ . 1 . 2 ]" 1
262 1 23 TYR QE 1 28 GLY HA2 0.000 . 4.000 3.847 3.466 4.025 0.025 7 0 "[ . 1 . 2 ]" 1
263 1 23 TYR QE 1 28 GLY HA3 0.000 . 5.000 4.899 4.600 5.075 0.075 4 0 "[ . 1 . 2 ]" 1
264 1 23 TYR QE 1 29 LEU H 0.000 . 4.000 3.991 3.635 4.078 0.078 13 0 "[ . 1 . 2 ]" 1
265 1 23 TYR QE 1 29 LEU HA 0.000 . 4.000 2.327 1.932 3.647 . 0 0 "[ . 1 . 2 ]" 1
266 1 23 TYR QE 1 52 MET HA 0.000 . 5.000 4.845 4.445 5.138 0.138 4 0 "[ . 1 . 2 ]" 1
267 1 23 TYR QE 1 52 MET ME 0.000 . 4.000 3.565 2.672 4.002 0.002 23 0 "[ . 1 . 2 ]" 1
268 1 23 TYR QE 1 55 CYS QB 0.000 . 4.000 3.496 2.694 3.969 . 0 0 "[ . 1 . 2 ]" 1
269 1 23 TYR QE 1 56 GLY QA 0.000 . 4.000 3.784 2.589 4.044 0.044 4 0 "[ . 1 . 2 ]" 1
270 1 23 TYR QE 1 58 ALA MB 0.000 . 5.000 4.491 3.455 5.058 0.058 14 0 "[ . 1 . 2 ]" 1
271 1 24 ASN H 1 25 ALA H 0.000 . 5.000 4.042 3.616 4.262 . 0 0 "[ . 1 . 2 ]" 1
272 1 24 ASN H 1 29 LEU H 0.000 . 4.000 3.958 3.697 4.117 0.117 16 0 "[ . 1 . 2 ]" 1
273 1 24 ASN H 1 30 CYS HA 0.000 . 4.000 2.307 1.937 2.831 . 0 0 "[ . 1 . 2 ]" 1
274 1 24 ASN H 1 31 GLN H 0.000 . 5.000 3.478 3.022 4.021 . 0 0 "[ . 1 . 2 ]" 1
275 1 24 ASN HA 1 25 ALA H 0.000 . 2.500 2.393 2.305 2.587 0.087 4 0 "[ . 1 . 2 ]" 1
276 1 24 ASN HA 1 25 ALA MB 0.000 . 5.000 3.991 3.917 4.164 . 0 0 "[ . 1 . 2 ]" 1
277 1 24 ASN HA 1 26 LYS H 0.000 . 4.000 3.336 3.097 3.596 . 0 0 "[ . 1 . 2 ]" 1
278 1 24 ASN HB2 1 27 ALA H 0.000 . 4.000 4.080 4.036 4.161 0.161 4 0 "[ . 1 . 2 ]" 1
279 1 24 ASN HB2 1 27 ALA MB 0.000 . 5.000 3.111 2.925 3.291 . 0 0 "[ . 1 . 2 ]" 1
280 1 24 ASN HB3 1 27 ALA MB 0.000 . 3.000 1.863 1.731 2.082 . 0 0 "[ . 1 . 2 ]" 1
281 1 24 ASN HB3 1 29 LEU H 0.000 . 4.000 3.450 3.021 3.676 . 0 0 "[ . 1 . 2 ]" 1
282 1 24 ASN HD21 1 27 ALA MB 0.000 . 4.000 2.586 1.985 3.131 . 0 0 "[ . 1 . 2 ]" 1
283 1 24 ASN HD21 1 31 GLN HE21 0.000 . 5.000 3.311 2.172 4.798 . 0 0 "[ . 1 . 2 ]" 1
284 1 24 ASN HD21 1 31 GLN HE22 0.000 . 4.000 3.108 1.946 3.995 . 0 0 "[ . 1 . 2 ]" 1
285 1 24 ASN HD22 1 26 LYS QB 0.000 . 4.000 2.813 2.354 3.581 . 0 0 "[ . 1 . 2 ]" 1
286 1 24 ASN HD22 1 27 ALA H 0.000 . 4.000 3.774 3.384 4.007 0.007 13 0 "[ . 1 . 2 ]" 1
287 1 24 ASN HD22 1 27 ALA MB 0.000 . 4.000 2.895 2.324 3.272 . 0 0 "[ . 1 . 2 ]" 1
288 1 25 ALA H 1 26 LYS H 0.000 . 4.000 2.829 2.754 2.890 . 0 0 "[ . 1 . 2 ]" 1
289 1 25 ALA H 1 27 ALA H 0.000 . 5.000 4.205 4.123 4.267 . 0 0 "[ . 1 . 2 ]" 1
290 1 25 ALA HA 1 26 LYS H 0.000 . 4.000 3.503 3.471 3.557 . 0 0 "[ . 1 . 2 ]" 1
291 1 25 ALA HA 1 27 ALA H 0.000 . 4.000 4.040 4.023 4.061 0.061 4 0 "[ . 1 . 2 ]" 1
292 1 25 ALA HA 1 28 GLY H 0.000 . 4.000 3.235 2.867 3.499 . 0 0 "[ . 1 . 2 ]" 1
293 1 25 ALA MB 1 26 LYS H 0.000 . 3.000 2.802 2.618 2.921 . 0 0 "[ . 1 . 2 ]" 1
294 1 25 ALA MB 1 28 GLY H 0.000 . 5.000 4.501 4.187 4.747 . 0 0 "[ . 1 . 2 ]" 1
295 1 26 LYS H 1 27 ALA H 0.000 . 3.000 2.490 2.331 2.613 . 0 0 "[ . 1 . 2 ]" 1
296 1 26 LYS H 1 28 GLY H 0.000 . 4.000 3.893 3.644 4.010 0.010 8 0 "[ . 1 . 2 ]" 1
297 1 26 LYS QB 1 27 ALA H 0.000 . 4.000 2.854 2.661 2.964 . 0 0 "[ . 1 . 2 ]" 1
298 1 27 ALA H 1 28 GLY H 0.000 . 2.500 2.238 2.183 2.364 . 0 0 "[ . 1 . 2 ]" 1
299 1 27 ALA HA 1 28 GLY H 0.000 . 4.000 3.507 3.449 3.559 . 0 0 "[ . 1 . 2 ]" 1
300 1 27 ALA MB 1 28 GLY H 0.000 . 4.000 2.787 2.601 2.993 . 0 0 "[ . 1 . 2 ]" 1
301 1 27 ALA MB 1 29 LEU MD1 0.000 . 5.000 3.156 2.227 4.084 . 0 0 "[ . 1 . 2 ]" 1
302 1 27 ALA MB 1 31 GLN HE21 0.000 . 4.000 2.112 1.806 3.222 . 0 0 "[ . 1 . 2 ]" 1
303 1 27 ALA MB 1 31 GLN HE22 0.000 . 4.000 2.737 1.722 3.397 . 0 0 "[ . 1 . 2 ]" 1
304 1 28 GLY H 1 29 LEU H 0.000 . 3.000 2.448 2.229 2.609 . 0 0 "[ . 1 . 2 ]" 1
305 1 28 GLY HA2 1 29 LEU H 0.000 . 4.000 3.340 3.200 3.413 . 0 0 "[ . 1 . 2 ]" 1
306 1 28 GLY HA3 1 29 LEU H 0.000 . 4.000 3.251 3.170 3.401 . 0 0 "[ . 1 . 2 ]" 1
307 1 29 LEU H 1 30 CYS H 0.000 . 4.000 4.096 4.050 4.311 0.311 4 0 "[ . 1 . 2 ]" 1
308 1 29 LEU HA 1 29 LEU MD1 0.000 . 4.000 3.875 3.530 4.118 0.118 21 0 "[ . 1 . 2 ]" 1
309 1 29 LEU HA 1 30 CYS H 0.000 . 3.000 2.992 2.568 3.052 0.052 14 0 "[ . 1 . 2 ]" 1
310 1 29 LEU QB 1 30 CYS H 0.000 . 3.000 1.894 1.792 2.438 . 0 0 "[ . 1 . 2 ]" 1
311 1 29 LEU MD1 1 30 CYS H 0.000 . 4.000 2.702 1.846 4.019 0.019 8 0 "[ . 1 . 2 ]" 1
312 1 29 LEU MD1 1 31 GLN HE21 0.000 . 4.000 3.657 3.051 4.021 0.021 13 0 "[ . 1 . 2 ]" 1
313 1 29 LEU MD1 1 31 GLN HE22 0.000 . 5.000 4.793 4.376 5.016 0.016 8 0 "[ . 1 . 2 ]" 1
314 1 29 LEU MD1 1 31 GLN QG 0.000 . 5.000 3.165 2.125 4.563 . 0 0 "[ . 1 . 2 ]" 1
315 1 29 LEU MD2 1 30 CYS H 0.000 . 4.000 3.821 3.162 4.003 0.003 22 0 "[ . 1 . 2 ]" 1
316 1 30 CYS H 1 31 GLN H 0.000 . 5.000 4.525 4.467 4.636 . 0 0 "[ . 1 . 2 ]" 1
317 1 30 CYS H 1 52 MET ME 0.000 . 5.000 3.180 2.092 4.914 . 0 0 "[ . 1 . 2 ]" 1
318 1 30 CYS HA 1 31 GLN H 0.000 . 2.500 2.313 2.252 2.384 . 0 0 "[ . 1 . 2 ]" 1
319 1 30 CYS HB2 1 31 GLN H 0.000 . 4.000 3.975 3.764 4.094 0.094 5 0 "[ . 1 . 2 ]" 1
320 1 30 CYS HB3 1 31 GLN H 0.000 . 4.000 2.861 2.640 3.042 . 0 0 "[ . 1 . 2 ]" 1
321 1 30 CYS HB3 1 48 ALA HA 0.000 . 5.000 3.540 2.938 5.162 0.162 7 0 "[ . 1 . 2 ]" 1
322 1 31 GLN H 1 32 THR H 0.000 . 5.000 4.441 4.393 4.494 . 0 0 "[ . 1 . 2 ]" 1
323 1 31 GLN HA 1 32 THR H 0.000 . 3.000 2.506 2.354 2.667 . 0 0 "[ . 1 . 2 ]" 1
324 1 31 GLN HA 1 32 THR MG 0.000 . 5.000 3.776 3.136 4.265 . 0 0 "[ . 1 . 2 ]" 1
325 1 31 GLN HB2 1 32 THR H 0.000 . 4.000 3.703 3.275 4.015 0.015 11 0 "[ . 1 . 2 ]" 1
326 1 31 GLN HB3 1 32 THR H 0.000 . 3.000 2.525 2.185 2.851 . 0 0 "[ . 1 . 2 ]" 1
327 1 32 THR HA 1 33 PHE H 0.000 . 2.500 2.260 2.230 2.291 . 0 0 "[ . 1 . 2 ]" 1
328 1 32 THR HA 1 33 PHE QD 0.000 . 4.000 3.396 3.182 3.617 . 0 0 "[ . 1 . 2 ]" 1
329 1 32 THR HB 1 33 PHE H 0.000 . 4.000 3.103 3.019 3.215 . 0 0 "[ . 1 . 2 ]" 1
330 1 32 THR HB 1 33 PHE HA 0.000 . 5.000 4.365 4.200 4.643 . 0 0 "[ . 1 . 2 ]" 1
331 1 32 THR MG 1 33 PHE H 0.000 . 4.000 3.671 3.318 4.024 0.024 10 0 "[ . 1 . 2 ]" 1
332 1 33 PHE HA 1 34 VAL H 0.000 . 3.000 2.416 2.349 2.531 . 0 0 "[ . 1 . 2 ]" 1
333 1 33 PHE HA 1 34 VAL HA 0.000 . 5.000 4.393 4.379 4.408 . 0 0 "[ . 1 . 2 ]" 1
334 1 33 PHE HA 1 34 VAL MG2 0.000 . 4.000 3.467 3.266 3.742 . 0 0 "[ . 1 . 2 ]" 1
335 1 33 PHE HB2 1 34 VAL H 0.000 . 3.000 2.760 2.679 2.851 . 0 0 "[ . 1 . 2 ]" 1
336 1 33 PHE HB3 1 34 VAL H 0.000 . 4.000 4.061 4.016 4.105 0.105 18 0 "[ . 1 . 2 ]" 1
337 1 33 PHE QD 1 34 VAL H 0.000 . 4.000 2.986 2.568 3.198 . 0 0 "[ . 1 . 2 ]" 1
338 1 33 PHE QD 1 35 TYR HA 0.000 . 4.000 3.666 3.326 3.975 . 0 0 "[ . 1 . 2 ]" 1
339 1 33 PHE QD 1 35 TYR HB2 0.000 . 5.000 4.330 4.130 4.568 . 0 0 "[ . 1 . 2 ]" 1
340 1 33 PHE QD 1 44 ASN HA 0.000 . 4.000 4.077 4.049 4.146 0.146 12 0 "[ . 1 . 2 ]" 1
341 1 33 PHE QE 1 35 TYR HA 0.000 . 4.000 2.279 1.936 2.550 . 0 0 "[ . 1 . 2 ]" 1
342 1 33 PHE QE 1 35 TYR HB2 0.000 . 4.000 3.246 2.960 3.565 . 0 0 "[ . 1 . 2 ]" 1
343 1 33 PHE QE 1 35 TYR HD1 0.000 . 5.000 2.859 2.426 3.209 . 0 0 "[ . 1 . 2 ]" 1
344 1 33 PHE QE 1 44 ASN HA 0.000 . 3.000 1.878 1.838 1.964 . 0 0 "[ . 1 . 2 ]" 1
345 1 33 PHE HZ 1 44 ASN HA 0.000 . 4.000 2.792 2.558 3.056 . 0 0 "[ . 1 . 2 ]" 1
346 1 33 PHE HZ 1 44 ASN HB2 0.000 . 4.000 2.330 2.115 2.501 . 0 0 "[ . 1 . 2 ]" 1
347 1 33 PHE HZ 1 44 ASN HB3 0.000 . 4.000 3.747 3.548 3.897 . 0 0 "[ . 1 . 2 ]" 1
348 1 33 PHE HZ 1 44 ASN HD21 0.000 . 4.000 2.900 2.131 3.261 . 0 0 "[ . 1 . 2 ]" 1
349 1 33 PHE HZ 1 44 ASN HD22 0.000 . 4.000 3.190 2.920 3.341 . 0 0 "[ . 1 . 2 ]" 1
350 1 34 VAL HA 1 35 TYR H 0.000 . 2.500 2.226 2.181 2.292 . 0 0 "[ . 1 . 2 ]" 1
351 1 34 VAL MG1 1 35 TYR H 0.000 . 4.000 2.966 2.451 3.434 . 0 0 "[ . 1 . 2 ]" 1
352 1 34 VAL MG1 1 35 TYR HA 0.000 . 5.000 4.136 3.692 4.453 . 0 0 "[ . 1 . 2 ]" 1
353 1 34 VAL MG2 1 35 TYR H 0.000 . 5.000 4.179 3.891 4.297 . 0 0 "[ . 1 . 2 ]" 1
354 1 35 TYR HA 1 35 TYR HD1 0.000 . 4.000 1.978 1.909 2.131 . 0 0 "[ . 1 . 2 ]" 1
355 1 35 TYR HA 1 36 GLY H 0.000 . 3.000 2.305 2.273 2.334 . 0 0 "[ . 1 . 2 ]" 1
356 1 35 TYR HD1 1 36 GLY H 0.000 . 5.000 1.906 1.842 2.093 . 0 0 "[ . 1 . 2 ]" 1
357 1 35 TYR HD1 1 37 ALA H 0.000 . 5.000 3.042 2.903 3.267 . 0 0 "[ . 1 . 2 ]" 1
358 1 35 TYR HD1 1 40 ALA HA 0.000 . 5.000 4.242 3.953 4.695 . 0 0 "[ . 1 . 2 ]" 1
359 1 35 TYR HD2 1 37 ALA HA 0.000 . 5.000 3.171 2.734 3.605 . 0 0 "[ . 1 . 2 ]" 1
360 1 35 TYR HD2 1 44 ASN HD22 0.000 . 5.000 3.338 3.253 3.428 . 0 0 "[ . 1 . 2 ]" 1
361 1 35 TYR QE 1 37 ALA H 0.000 . 4.000 3.095 2.940 3.216 . 0 0 "[ . 1 . 2 ]" 1
362 1 35 TYR QE 1 37 ALA HA 0.000 . 3.000 2.311 2.159 2.454 . 0 0 "[ . 1 . 2 ]" 1
363 1 35 TYR QE 1 37 ALA MB 0.000 . 4.000 3.802 3.656 3.939 . 0 0 "[ . 1 . 2 ]" 1
364 1 35 TYR QE 1 38 CYS H 0.000 . 4.000 3.149 2.747 3.786 . 0 0 "[ . 1 . 2 ]" 1
365 1 35 TYR QE 1 40 ALA H 0.000 . 4.000 3.595 3.251 3.951 . 0 0 "[ . 1 . 2 ]" 1
366 1 35 TYR QE 1 40 ALA HA 0.000 . 3.000 2.487 2.099 2.963 . 0 0 "[ . 1 . 2 ]" 1
367 1 35 TYR QE 1 40 ALA MB 0.000 . 3.000 2.302 1.763 3.004 0.004 9 0 "[ . 1 . 2 ]" 1
368 1 35 TYR QE 1 44 ASN HD21 0.000 . 4.000 2.607 2.418 2.991 . 0 0 "[ . 1 . 2 ]" 1
369 1 35 TYR QE 1 44 ASN HD22 0.000 . 4.000 2.806 2.764 2.890 . 0 0 "[ . 1 . 2 ]" 1
370 1 35 TYR HE1 1 40 ALA HA 0.000 . 3.000 2.489 2.100 2.967 . 0 0 "[ . 1 . 2 ]" 1
371 1 35 TYR HE1 1 40 ALA MB 0.000 . 5.000 2.374 1.765 3.310 . 0 0 "[ . 1 . 2 ]" 1
372 1 35 TYR HE2 1 37 ALA H 0.000 . 5.000 3.612 3.400 3.755 . 0 0 "[ . 1 . 2 ]" 1
373 1 35 TYR HE2 1 37 ALA HA 0.000 . 3.000 2.320 2.161 2.470 . 0 0 "[ . 1 . 2 ]" 1
374 1 35 TYR HE2 1 37 ALA MB 0.000 . 5.000 3.900 3.748 4.039 . 0 0 "[ . 1 . 2 ]" 1
375 1 35 TYR HE2 1 40 ALA MB 0.000 . 5.000 3.726 3.225 4.181 . 0 0 "[ . 1 . 2 ]" 1
376 1 37 ALA H 1 38 CYS H 0.000 . 4.000 2.723 2.598 3.033 . 0 0 "[ . 1 . 2 ]" 1
377 1 37 ALA HA 1 38 CYS H 0.000 . 4.000 3.322 3.198 3.521 . 0 0 "[ . 1 . 2 ]" 1
378 1 37 ALA MB 1 38 CYS H 0.000 . 5.000 3.260 2.839 3.429 . 0 0 "[ . 1 . 2 ]" 1
379 1 38 CYS HA 1 39 ARG H 0.000 . 3.000 2.449 2.289 2.541 . 0 0 "[ . 1 . 2 ]" 1
380 1 38 CYS HA 1 40 ALA H 0.000 . 4.000 3.557 3.160 3.867 . 0 0 "[ . 1 . 2 ]" 1
381 1 39 ARG H 1 40 ALA H 0.000 . 4.000 2.914 2.625 3.071 . 0 0 "[ . 1 . 2 ]" 1
382 1 39 ARG HA 1 40 ALA H 0.000 . 4.000 2.897 2.734 3.037 . 0 0 "[ . 1 . 2 ]" 1
383 1 40 ALA HA 1 41 LYS H 0.000 . 2.500 2.336 2.227 2.524 0.024 4 0 "[ . 1 . 2 ]" 1
384 1 40 ALA HA 1 44 ASN HD21 0.000 . 4.000 2.746 2.029 3.565 . 0 0 "[ . 1 . 2 ]" 1
385 1 40 ALA MB 1 41 LYS H 0.000 . 3.000 2.846 2.510 3.057 0.057 23 0 "[ . 1 . 2 ]" 1
386 1 40 ALA MB 1 44 ASN HD21 0.000 . 4.000 2.101 1.819 2.864 . 0 0 "[ . 1 . 2 ]" 1
387 1 40 ALA MB 1 44 ASN HD22 0.000 . 4.000 2.641 2.239 3.096 . 0 0 "[ . 1 . 2 ]" 1
388 1 41 LYS H 1 44 ASN HD21 0.000 . 4.000 3.224 2.591 3.834 . 0 0 "[ . 1 . 2 ]" 1
389 1 41 LYS HA 1 42 ARG H 0.000 . 3.000 2.799 2.681 2.887 . 0 0 "[ . 1 . 2 ]" 1
390 1 41 LYS HB2 1 42 ARG H 0.000 . 3.000 2.942 2.724 3.046 0.046 12 0 "[ . 1 . 2 ]" 1
391 1 41 LYS HB3 1 42 ARG H 0.000 . 2.500 2.086 1.862 2.345 . 0 0 "[ . 1 . 2 ]" 1
392 1 41 LYS HB3 1 43 ASN H 0.000 . 4.000 3.192 2.874 3.437 . 0 0 "[ . 1 . 2 ]" 1
393 1 42 ARG H 1 43 ASN H 0.000 . 4.000 2.515 2.340 2.715 . 0 0 "[ . 1 . 2 ]" 1
394 1 42 ARG HA 1 43 ASN H 0.000 . 5.000 3.475 3.371 3.565 . 0 0 "[ . 1 . 2 ]" 1
395 1 42 ARG HA 1 44 ASN H 0.000 . 5.000 3.815 3.662 4.074 . 0 0 "[ . 1 . 2 ]" 1
396 1 42 ARG HB2 1 43 ASN H 0.000 . 4.000 3.374 2.658 4.235 0.235 21 0 "[ . 1 . 2 ]" 1
397 1 43 ASN HA 1 44 ASN H 0.000 . 3.000 2.659 2.522 2.708 . 0 0 "[ . 1 . 2 ]" 1
398 1 43 ASN HA 1 45 PHE QE 0.000 . 4.000 2.641 1.890 3.215 . 0 0 "[ . 1 . 2 ]" 1
399 1 43 ASN HA 1 45 PHE HZ 0.000 . 4.000 3.013 2.621 3.256 . 0 0 "[ . 1 . 2 ]" 1
400 1 44 ASN HA 1 45 PHE H 0.000 . 2.500 2.450 2.385 2.521 0.021 10 0 "[ . 1 . 2 ]" 1
401 1 45 PHE HA 1 47 SER H 0.000 . 4.000 3.929 3.733 4.070 0.070 16 0 "[ . 1 . 2 ]" 1
402 1 45 PHE HB2 1 47 SER H 0.000 . 4.000 3.321 2.960 3.535 . 0 0 "[ . 1 . 2 ]" 1
403 1 45 PHE HB2 1 51 CYS H 0.000 . 4.000 3.328 3.104 3.700 . 0 0 "[ . 1 . 2 ]" 1
404 1 45 PHE HB3 1 47 SER H 0.000 . 3.000 2.957 2.798 3.034 0.034 6 0 "[ . 1 . 2 ]" 1
405 1 45 PHE HB3 1 50 ASP QB 0.000 . 3.000 2.018 1.850 2.430 . 0 0 "[ . 1 . 2 ]" 1
406 1 45 PHE HB3 1 51 CYS H 0.000 . 4.000 3.124 2.780 3.558 . 0 0 "[ . 1 . 2 ]" 1
407 1 45 PHE HB3 1 51 CYS HB2 0.000 . 5.000 3.242 2.854 3.789 . 0 0 "[ . 1 . 2 ]" 1
408 1 45 PHE QE 1 54 THR HB 0.000 . 4.000 3.326 2.801 3.613 . 0 0 "[ . 1 . 2 ]" 1
409 1 45 PHE QE 1 54 THR MG 0.000 . 3.000 2.316 1.854 2.777 . 0 0 "[ . 1 . 2 ]" 1
410 1 45 PHE HZ 1 51 CYS HA 0.000 . 5.000 3.827 3.638 4.072 . 0 0 "[ . 1 . 2 ]" 1
411 1 45 PHE HZ 1 54 THR HB 0.000 . 4.000 3.996 3.665 4.067 0.067 5 0 "[ . 1 . 2 ]" 1
412 1 45 PHE HZ 1 54 THR MG 0.000 . 3.000 2.755 2.272 3.007 0.007 7 0 "[ . 1 . 2 ]" 1
413 1 46 LYS H 1 47 SER H 0.000 . 3.000 2.514 2.280 2.753 . 0 0 "[ . 1 . 2 ]" 1
414 1 46 LYS H 1 50 ASP QB 0.000 . 4.000 3.413 3.122 3.887 . 0 0 "[ . 1 . 2 ]" 1
415 1 46 LYS HA 1 47 SER H 0.000 . 4.000 3.465 3.256 3.516 . 0 0 "[ . 1 . 2 ]" 1
416 1 46 LYS QB 1 47 SER H 0.000 . 4.000 2.954 2.740 3.464 . 0 0 "[ . 1 . 2 ]" 1
417 1 46 LYS QG 1 47 SER H 0.000 . 4.000 3.916 3.608 4.056 0.056 7 0 "[ . 1 . 2 ]" 1
418 1 47 SER H 1 48 ALA H 0.000 . 5.000 4.454 4.419 4.483 . 0 0 "[ . 1 . 2 ]" 1
419 1 47 SER H 1 49 GLU H 0.000 . 5.000 4.802 4.152 5.027 0.027 16 0 "[ . 1 . 2 ]" 1
420 1 47 SER HA 1 48 ALA H 0.000 . 2.500 2.357 2.300 2.409 . 0 0 "[ . 1 . 2 ]" 1
421 1 47 SER HA 1 49 GLU H 0.000 . 4.000 4.023 3.989 4.062 0.062 5 0 "[ . 1 . 2 ]" 1
422 1 47 SER HA 1 50 ASP H 0.000 . 5.000 4.613 4.386 4.925 . 0 0 "[ . 1 . 2 ]" 1
423 1 47 SER HB2 1 48 ALA H 0.000 . 3.000 2.786 2.690 2.892 . 0 0 "[ . 1 . 2 ]" 1
424 1 47 SER HB2 1 49 GLU H 0.000 . 4.000 2.791 2.721 3.279 . 0 0 "[ . 1 . 2 ]" 1
425 1 47 SER HB2 1 50 ASP H 0.000 . 4.000 3.691 3.438 4.012 0.012 19 0 "[ . 1 . 2 ]" 1
426 1 47 SER HB3 1 48 ALA H 0.000 . 4.000 4.032 3.979 4.072 0.072 14 0 "[ . 1 . 2 ]" 1
427 1 48 ALA H 1 49 GLU H 0.000 . 3.000 2.596 2.465 2.929 . 0 0 "[ . 1 . 2 ]" 1
428 1 48 ALA H 1 50 ASP H 0.000 . 5.000 4.201 4.007 4.515 . 0 0 "[ . 1 . 2 ]" 1
429 1 48 ALA HA 1 49 GLU H 0.000 . 5.000 3.473 3.014 3.522 . 0 0 "[ . 1 . 2 ]" 1
430 1 48 ALA HA 1 50 ASP H 0.000 . 5.000 4.122 3.819 4.560 . 0 0 "[ . 1 . 2 ]" 1
431 1 48 ALA MB 1 49 GLU H 0.000 . 3.000 2.853 2.719 3.460 0.460 7 0 "[ . 1 . 2 ]" 1
432 1 48 ALA MB 1 49 GLU HA 0.000 . 5.000 3.901 3.808 4.352 . 0 0 "[ . 1 . 2 ]" 1
433 1 49 GLU H 1 50 ASP H 0.000 . 4.000 2.488 1.716 2.674 . 0 0 "[ . 1 . 2 ]" 1
434 1 49 GLU H 1 51 CYS H 0.000 . 4.000 3.973 3.144 4.048 0.048 9 0 "[ . 1 . 2 ]" 1
435 1 49 GLU HA 1 50 ASP H 0.000 . 4.000 3.512 3.425 3.565 . 0 0 "[ . 1 . 2 ]" 1
436 1 49 GLU HA 1 51 CYS H 0.000 . 5.000 4.293 3.774 4.550 . 0 0 "[ . 1 . 2 ]" 1
437 1 49 GLU HA 1 52 MET H 0.000 . 4.000 3.593 3.105 3.983 . 0 0 "[ . 1 . 2 ]" 1
438 1 49 GLU HA 1 52 MET HB2 0.000 . 5.000 3.183 2.484 3.950 . 0 0 "[ . 1 . 2 ]" 1
439 1 49 GLU HA 1 52 MET HB3 0.000 . 4.000 3.570 2.610 4.680 0.680 15 1 "[ . 1 + 2 ]" 1
440 1 49 GLU HA 1 53 ARG H 0.000 . 4.000 3.651 3.231 4.024 0.024 14 0 "[ . 1 . 2 ]" 1
441 1 49 GLU QB 1 50 ASP H 0.000 . 3.000 2.789 2.447 3.045 0.045 7 0 "[ . 1 . 2 ]" 1
442 1 49 GLU QG 1 50 ASP H 0.000 . 5.000 4.284 3.761 4.752 . 0 0 "[ . 1 . 2 ]" 1
443 1 50 ASP H 1 51 CYS H 0.000 . 3.000 2.399 2.188 2.575 . 0 0 "[ . 1 . 2 ]" 1
444 1 50 ASP H 1 52 MET H 0.000 . 4.000 4.065 4.027 4.153 0.153 7 0 "[ . 1 . 2 ]" 1
445 1 50 ASP HA 1 51 CYS H 0.000 . 4.000 3.518 3.465 3.550 . 0 0 "[ . 1 . 2 ]" 1
446 1 50 ASP HA 1 53 ARG H 0.000 . 4.000 3.856 3.596 4.024 0.024 21 0 "[ . 1 . 2 ]" 1
447 1 50 ASP HA 1 53 ARG HE 0.000 . 4.000 3.396 1.893 4.005 0.005 9 0 "[ . 1 . 2 ]" 1
448 1 50 ASP HA 1 54 THR H 0.000 . 5.000 4.401 4.108 4.764 . 0 0 "[ . 1 . 2 ]" 1
449 1 50 ASP QB 1 51 CYS H 0.000 . 3.000 2.681 2.516 2.817 . 0 0 "[ . 1 . 2 ]" 1
450 1 51 CYS H 1 52 MET H 0.000 . 4.000 2.545 2.439 2.702 . 0 0 "[ . 1 . 2 ]" 1
451 1 51 CYS H 1 53 ARG H 0.000 . 5.000 4.192 3.890 4.593 . 0 0 "[ . 1 . 2 ]" 1
452 1 51 CYS HA 1 52 MET H 0.000 . 5.000 3.575 3.563 3.594 . 0 0 "[ . 1 . 2 ]" 1
453 1 51 CYS HA 1 54 THR H 0.000 . 4.000 3.742 3.617 3.949 . 0 0 "[ . 1 . 2 ]" 1
454 1 51 CYS HA 1 54 THR HB 0.000 . 5.000 2.808 2.481 3.411 . 0 0 "[ . 1 . 2 ]" 1
455 1 51 CYS HA 1 55 CYS H 0.000 . 4.000 3.840 3.431 4.070 0.070 17 0 "[ . 1 . 2 ]" 1
456 1 51 CYS HB2 1 52 MET H 0.000 . 4.000 3.822 3.747 3.928 . 0 0 "[ . 1 . 2 ]" 1
457 1 51 CYS HB3 1 52 MET H 0.000 . 3.000 2.430 2.360 2.553 . 0 0 "[ . 1 . 2 ]" 1
458 1 52 MET H 1 53 ARG H 0.000 . 3.000 2.775 2.615 2.973 . 0 0 "[ . 1 . 2 ]" 1
459 1 52 MET H 1 54 THR H 0.000 . 5.000 3.879 3.756 4.183 . 0 0 "[ . 1 . 2 ]" 1
460 1 52 MET HA 1 53 ARG H 0.000 . 4.000 3.591 3.564 3.604 . 0 0 "[ . 1 . 2 ]" 1
461 1 52 MET HA 1 55 CYS H 0.000 . 4.000 3.347 2.835 3.745 . 0 0 "[ . 1 . 2 ]" 1
462 1 52 MET HA 1 56 GLY H 0.000 . 4.000 3.071 1.861 3.942 . 0 0 "[ . 1 . 2 ]" 1
463 1 52 MET HA 1 56 GLY QA 0.000 . 4.000 2.901 1.858 3.956 . 0 0 "[ . 1 . 2 ]" 1
464 1 52 MET HB3 1 53 ARG H 0.000 . 4.000 2.639 2.035 3.390 . 0 0 "[ . 1 . 2 ]" 1
465 1 52 MET QG 1 53 ARG H 0.000 . 5.000 3.963 2.945 4.369 . 0 0 "[ . 1 . 2 ]" 1
466 1 53 ARG H 1 54 THR H 0.000 . 3.000 2.735 2.557 2.926 . 0 0 "[ . 1 . 2 ]" 1
467 1 53 ARG QB 1 54 THR H 0.000 . 4.000 3.093 2.476 3.691 . 0 0 "[ . 1 . 2 ]" 1
468 1 54 THR H 1 55 CYS H 0.000 . 3.000 2.362 2.028 2.682 . 0 0 "[ . 1 . 2 ]" 1
469 1 54 THR H 1 56 GLY H 0.000 . 4.000 3.754 3.155 4.021 0.021 10 0 "[ . 1 . 2 ]" 1
470 1 54 THR HA 1 55 CYS H 0.000 . 4.000 3.572 3.510 3.594 . 0 0 "[ . 1 . 2 ]" 1
471 1 54 THR HB 1 55 CYS H 0.000 . 3.000 2.453 2.043 2.831 . 0 0 "[ . 1 . 2 ]" 1
472 1 54 THR MG 1 55 CYS H 0.000 . 3.000 3.025 2.951 3.120 0.120 4 0 "[ . 1 . 2 ]" 1
473 1 54 THR MG 1 55 CYS HA 0.000 . 5.000 3.502 3.200 3.873 . 0 0 "[ . 1 . 2 ]" 1
474 1 55 CYS H 1 56 GLY H 0.000 . 3.000 2.583 2.084 3.015 0.015 4 0 "[ . 1 . 2 ]" 1
475 1 55 CYS HA 1 56 GLY H 0.000 . 4.000 3.198 2.753 3.599 . 0 0 "[ . 1 . 2 ]" 1
476 1 56 GLY H 1 56 GLY QA 0.000 . 2.500 2.298 2.233 2.479 . 0 0 "[ . 1 . 2 ]" 1
477 1 56 GLY QA 1 57 GLY H 0.000 . 4.000 2.324 2.154 2.909 . 0 0 "[ . 1 . 2 ]" 1
478 1 57 GLY QA 1 58 ALA H 0.000 . 3.000 2.533 2.157 2.936 . 0 0 "[ . 1 . 2 ]" 1
479 1 58 ALA H 1 58 ALA MB 0.000 . 3.000 2.401 1.932 2.849 . 0 0 "[ . 1 . 2 ]" 1
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