NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381929 |
1j8k   |
5027 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j8k
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 487
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 184.338
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0079
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0468
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 1.036 0.091 3 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.119 0.033 2 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.379 0.108 18 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.047 0.024 5 0 "[ . 1 . 2]"
1 12 ASP 1.192 0.090 3 0 "[ . 1 . 2]"
1 13 VAL 0.148 0.043 16 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.062 0.042 1 0 "[ . 1 . 2]"
1 16 ASP 0.775 0.097 4 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.160 0.043 16 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 TRP 0.911 0.079 15 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.106 0.071 15 0 "[ . 1 . 2]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.012 0.012 15 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.009 0.009 14 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.135 0.064 4 0 "[ . 1 . 2]"
1 36 TYR 0.077 0.077 7 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.239 0.073 14 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.805 0.123 18 0 "[ . 1 . 2]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.135 0.064 4 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 1.260 0.091 18 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.052 0.052 9 0 "[ . 1 . 2]"
1 56 THR 0.417 0.079 15 0 "[ . 1 . 2]"
1 57 ALA 0.323 0.061 9 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.132 0.039 9 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.775 0.097 4 0 "[ . 1 . 2]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PRO 0.253 0.208 14 0 "[ . 1 . 2]"
1 65 GLY 0.042 0.042 1 0 "[ . 1 . 2]"
1 66 SER 0.109 0.054 1 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 0.234 0.062 19 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.311 0.077 7 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.040 0.040 4 0 "[ . 1 . 2]"
1 74 ALA 0.117 0.076 18 0 "[ . 1 . 2]"
1 75 LEU 0.254 0.082 13 0 "[ . 1 . 2]"
1 76 HIS 0.012 0.012 15 0 "[ . 1 . 2]"
1 77 ASP 0.605 0.085 4 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.157 0.076 18 0 "[ . 1 . 2]"
1 82 GLN 0.036 0.030 4 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.279 0.074 4 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.175 0.062 19 0 "[ . 1 . 2]"
1 90 THR 0.547 0.208 14 0 "[ . 1 . 2]"
1 91 ALA 0.012 0.012 1 0 "[ . 1 . 2]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ILE HA 1 2 ILE MD 0.000 . 4.800 3.140 1.826 3.691 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE H 1 2 ILE HB 0.000 . 3.500 2.428 2.062 3.148 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE QG 0.000 . 4.500 3.800 1.847 4.079 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE MG 0.000 . 4.200 2.511 1.819 3.687 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP H 1 3 ASP HA 0.000 . 2.900 2.932 2.828 2.991 0.091 3 0 "[ . 1 . 2]" 1
6 1 3 ASP H 1 3 ASP QB 0.000 . 3.500 2.331 2.016 3.105 . 0 0 "[ . 1 . 2]" 1
7 1 4 ARG H 1 4 ARG QB 0.000 . 3.500 3.046 2.637 3.353 . 0 0 "[ . 1 . 2]" 1
8 1 4 ARG H 1 4 ARG QD 0.000 . 6.000 4.156 2.067 5.352 . 0 0 "[ . 1 . 2]" 1
9 1 4 ARG H 1 4 ARG QG 0.000 . 4.500 3.171 2.225 4.186 . 0 0 "[ . 1 . 2]" 1
10 1 6 LYS H 1 6 LYS QG 0.000 . 4.500 3.674 2.418 4.150 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU HA 1 8 LEU MD1 0.000 . 4.200 3.160 2.423 3.500 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU H 1 8 LEU QB 0.000 . 3.500 2.096 1.911 2.378 . 0 0 "[ . 1 . 2]" 1
13 1 8 LEU H 1 8 LEU HG 0.000 . 3.500 3.077 2.551 3.608 0.108 18 0 "[ . 1 . 2]" 1
14 1 10 PHE H 1 10 PHE QB 0.000 . 3.500 2.397 2.184 2.579 . 0 0 "[ . 1 . 2]" 1
15 1 10 PHE H 1 10 PHE QD 0.000 . 4.700 2.989 2.137 3.454 . 0 0 "[ . 1 . 2]" 1
16 1 11 THR H 1 11 THR HB 0.000 . 2.900 2.396 2.167 2.900 0.000 16 0 "[ . 1 . 2]" 1
17 1 11 THR H 1 11 THR MG 0.000 . 4.200 3.636 3.566 3.747 . 0 0 "[ . 1 . 2]" 1
18 1 12 ASP H 1 12 ASP HA 0.000 . 2.900 2.958 2.880 2.990 0.090 3 0 "[ . 1 . 2]" 1
19 1 13 VAL H 1 13 VAL HB 0.000 . 2.900 2.756 2.573 2.929 0.029 5 0 "[ . 1 . 2]" 1
20 1 13 VAL H 1 13 VAL MG2 0.000 . 4.400 3.776 3.712 3.835 . 0 0 "[ . 1 . 2]" 1
21 1 15 VAL H 1 15 VAL MG1 0.000 . 4.200 1.916 1.816 2.043 . 0 0 "[ . 1 . 2]" 1
22 1 15 VAL H 1 15 VAL MG2 0.000 . 4.200 3.686 3.664 3.705 . 0 0 "[ . 1 . 2]" 1
23 1 18 ILE H 1 18 ILE HB 0.000 . 3.500 2.604 2.336 2.784 . 0 0 "[ . 1 . 2]" 1
24 1 19 LYS H 1 19 LYS QD 0.000 . 4.500 3.704 2.273 4.147 . 0 0 "[ . 1 . 2]" 1
25 1 20 ILE H 1 20 ILE QG 0.000 . 4.500 2.117 1.868 2.373 . 0 0 "[ . 1 . 2]" 1
26 1 22 TRP H 1 22 TRP HE3 0.000 . 3.500 2.779 2.195 3.495 . 0 0 "[ . 1 . 2]" 1
27 1 23 GLU H 1 23 GLU QB 0.000 . 3.500 2.078 1.910 2.208 . 0 0 "[ . 1 . 2]" 1
28 1 23 GLU H 1 23 GLU QG 0.000 . 4.500 3.726 2.947 4.016 . 0 0 "[ . 1 . 2]" 1
29 1 24 SER H 1 24 SER QB 0.000 . 3.300 2.298 1.925 2.687 . 0 0 "[ . 1 . 2]" 1
30 1 26 GLN HA 1 26 GLN QG 0.000 . 3.700 2.401 2.120 3.273 . 0 0 "[ . 1 . 2]" 1
31 1 26 GLN H 1 26 GLN QB 0.000 . 3.500 2.462 2.192 3.134 . 0 0 "[ . 1 . 2]" 1
32 1 26 GLN H 1 26 GLN QG 0.000 . 3.700 2.765 1.922 3.217 . 0 0 "[ . 1 . 2]" 1
33 1 28 GLN H 1 28 GLN QB 0.000 . 3.500 2.744 2.000 3.148 . 0 0 "[ . 1 . 2]" 1
34 1 29 VAL H 1 29 VAL HB 0.000 . 2.900 2.243 2.053 2.802 . 0 0 "[ . 1 . 2]" 1
35 1 29 VAL H 1 29 VAL MG1 0.000 . 4.800 3.199 2.118 3.796 . 0 0 "[ . 1 . 2]" 1
36 1 29 VAL H 1 29 VAL MG2 0.000 . 4.200 3.127 2.274 3.698 . 0 0 "[ . 1 . 2]" 1
37 1 31 ARG H 1 31 ARG QD 0.000 . 6.000 4.575 3.085 5.294 . 0 0 "[ . 1 . 2]" 1
38 1 36 TYR H 1 36 TYR QD 0.000 . 5.500 2.786 2.011 3.080 . 0 0 "[ . 1 . 2]" 1
39 1 40 GLU HA 1 40 GLU QG 0.000 . 3.700 2.254 1.930 3.295 . 0 0 "[ . 1 . 2]" 1
40 1 40 GLU H 1 40 GLU HA 0.000 . 2.900 2.867 2.785 2.973 0.073 14 0 "[ . 1 . 2]" 1
41 1 40 GLU H 1 40 GLU QB 0.000 . 3.500 2.906 2.526 3.332 . 0 0 "[ . 1 . 2]" 1
42 1 40 GLU H 1 40 GLU QG 0.000 . 4.500 3.655 2.352 4.077 . 0 0 "[ . 1 . 2]" 1
43 1 43 ILE H 1 43 ILE HB 0.000 . 2.900 2.870 2.526 3.023 0.123 18 0 "[ . 1 . 2]" 1
44 1 43 ILE H 1 43 ILE MG 0.000 . 4.200 2.104 1.896 2.303 . 0 0 "[ . 1 . 2]" 1
45 1 45 GLU H 1 45 GLU QB 0.000 . 3.500 2.644 2.194 3.166 . 0 0 "[ . 1 . 2]" 1
46 1 45 GLU H 1 45 GLU QG 0.000 . 4.500 2.941 2.018 4.070 . 0 0 "[ . 1 . 2]" 1
47 1 46 LEU HA 1 46 LEU MD1 0.000 . 4.200 2.129 1.783 3.077 . 0 0 "[ . 1 . 2]" 1
48 1 47 PHE H 1 47 PHE QB 0.000 . 3.500 2.645 1.995 3.178 . 0 0 "[ . 1 . 2]" 1
49 1 47 PHE H 1 47 PHE QD 0.000 . 5.300 2.914 1.821 4.309 . 0 0 "[ . 1 . 2]" 1
50 1 51 ASP H 1 51 ASP QB 0.000 . 3.300 2.428 2.129 2.735 . 0 0 "[ . 1 . 2]" 1
51 1 53 GLU HA 1 53 GLU QG 0.000 . 3.700 2.356 1.907 3.289 . 0 0 "[ . 1 . 2]" 1
52 1 53 GLU H 1 53 GLU HA 0.000 . 2.900 2.963 2.898 2.991 0.091 18 0 "[ . 1 . 2]" 1
53 1 53 GLU H 1 53 GLU QB 0.000 . 3.500 2.386 2.026 3.172 . 0 0 "[ . 1 . 2]" 1
54 1 53 GLU H 1 53 GLU QG 0.000 . 4.300 3.339 1.862 3.983 . 0 0 "[ . 1 . 2]" 1
55 1 54 GLU H 1 54 GLU QB 0.000 . 3.500 2.234 2.031 2.684 . 0 0 "[ . 1 . 2]" 1
56 1 54 GLU H 1 54 GLU QG 0.000 . 4.300 3.150 2.195 3.994 . 0 0 "[ . 1 . 2]" 1
57 1 59 LEU HA 1 59 LEU MD2 0.000 . 4.200 1.855 1.805 2.097 . 0 0 "[ . 1 . 2]" 1
58 1 59 LEU H 1 59 LEU MD1 0.000 . 4.800 3.714 3.533 3.865 . 0 0 "[ . 1 . 2]" 1
59 1 59 LEU H 1 59 LEU MD2 0.000 . 4.800 3.408 2.797 3.989 . 0 0 "[ . 1 . 2]" 1
60 1 59 LEU H 1 59 LEU HG 0.000 . 3.500 2.514 1.930 3.008 . 0 0 "[ . 1 . 2]" 1
61 1 60 GLN H 1 60 GLN QB 0.000 . 3.500 2.519 2.438 2.653 . 0 0 "[ . 1 . 2]" 1
62 1 60 GLN H 1 60 GLN HE21 0.000 . 3.500 3.317 2.488 3.539 0.039 9 0 "[ . 1 . 2]" 1
63 1 62 LEU HA 1 62 LEU MD1 0.000 . 4.800 3.857 3.708 3.952 . 0 0 "[ . 1 . 2]" 1
64 1 62 LEU HA 1 62 LEU MD2 0.000 . 4.200 2.036 1.836 2.425 . 0 0 "[ . 1 . 2]" 1
65 1 62 LEU H 1 62 LEU MD1 0.000 . 4.400 3.664 3.224 3.767 . 0 0 "[ . 1 . 2]" 1
66 1 62 LEU H 1 62 LEU MD2 0.000 . 4.800 3.193 2.836 3.552 . 0 0 "[ . 1 . 2]" 1
67 1 62 LEU H 1 62 LEU HG 0.000 . 2.900 2.170 1.869 2.376 . 0 0 "[ . 1 . 2]" 1
68 1 63 ARG H 1 63 ARG QG 0.000 . 4.500 3.209 1.899 4.123 . 0 0 "[ . 1 . 2]" 1
69 1 67 GLU H 1 67 GLU QB 0.000 . 3.500 2.138 2.027 2.216 . 0 0 "[ . 1 . 2]" 1
70 1 68 TYR H 1 68 TYR QD 0.000 . 5.500 3.555 2.701 4.214 . 0 0 "[ . 1 . 2]" 1
71 1 69 THR H 1 69 THR HB 0.000 . 3.500 2.752 2.313 3.418 . 0 0 "[ . 1 . 2]" 1
72 1 70 VAL H 1 70 VAL HB 0.000 . 3.500 2.517 2.389 2.745 . 0 0 "[ . 1 . 2]" 1
73 1 72 VAL H 1 72 VAL MG2 0.000 . 4.800 2.503 1.970 2.942 . 0 0 "[ . 1 . 2]" 1
74 1 73 VAL H 1 73 VAL HB 0.000 . 3.500 2.701 2.512 2.892 . 0 0 "[ . 1 . 2]" 1
75 1 73 VAL H 1 73 VAL MG2 0.000 . 4.200 2.688 2.473 3.131 . 0 0 "[ . 1 . 2]" 1
76 1 75 LEU HA 1 75 LEU MD1 0.000 . 4.800 3.834 3.754 3.904 . 0 0 "[ . 1 . 2]" 1
77 1 75 LEU HA 1 75 LEU MD2 0.000 . 4.200 2.074 1.826 2.549 . 0 0 "[ . 1 . 2]" 1
78 1 75 LEU HA 1 75 LEU HG 0.000 . 3.300 2.879 2.653 3.059 . 0 0 "[ . 1 . 2]" 1
79 1 75 LEU H 1 75 LEU MD2 0.000 . 4.800 3.888 3.756 4.033 . 0 0 "[ . 1 . 2]" 1
80 1 75 LEU H 1 75 LEU HG 0.000 . 2.900 2.804 2.587 2.982 0.082 13 0 "[ . 1 . 2]" 1
81 1 77 ASP H 1 77 ASP HA 0.000 . 2.700 2.551 2.364 2.785 0.085 4 0 "[ . 1 . 2]" 1
82 1 79 MET HA 1 79 MET ME 0.000 . 4.800 3.590 2.505 4.093 . 0 0 "[ . 1 . 2]" 1
83 1 79 MET HA 1 79 MET QG 0.000 . 3.700 2.205 1.969 2.625 . 0 0 "[ . 1 . 2]" 1
84 1 79 MET H 1 79 MET QG 0.000 . 4.300 3.617 2.605 4.108 . 0 0 "[ . 1 . 2]" 1
85 1 80 GLU H 1 80 GLU QG 0.000 . 4.300 3.435 2.076 4.014 . 0 0 "[ . 1 . 2]" 1
86 1 82 GLN HA 1 82 GLN HE21 0.000 . 5.000 3.690 2.468 4.758 . 0 0 "[ . 1 . 2]" 1
87 1 82 GLN HA 1 82 GLN QG 0.000 . 3.700 2.359 1.937 3.320 . 0 0 "[ . 1 . 2]" 1
88 1 82 GLN H 1 82 GLN QB 0.000 . 3.500 2.200 1.983 2.595 . 0 0 "[ . 1 . 2]" 1
89 1 82 GLN H 1 82 GLN HE21 0.000 . 5.000 2.593 1.860 3.700 . 0 0 "[ . 1 . 2]" 1
90 1 82 GLN H 1 82 GLN HE22 0.000 . 3.500 3.175 2.773 3.530 0.030 4 0 "[ . 1 . 2]" 1
91 1 82 GLN H 1 82 GLN QG 0.000 . 4.300 3.041 1.867 3.626 . 0 0 "[ . 1 . 2]" 1
92 1 84 LEU HA 1 84 LEU MD2 0.000 . 4.800 3.833 3.658 3.922 . 0 0 "[ . 1 . 2]" 1
93 1 85 ILE HA 1 85 ILE MD 0.000 . 4.800 2.135 1.830 3.667 . 0 0 "[ . 1 . 2]" 1
94 1 85 ILE H 1 85 ILE HB 0.000 . 2.900 2.205 1.950 2.346 . 0 0 "[ . 1 . 2]" 1
95 1 85 ILE H 1 85 ILE MD 0.000 . 5.000 3.834 3.413 4.158 . 0 0 "[ . 1 . 2]" 1
96 1 85 ILE H 1 85 ILE QG 0.000 . 4.500 2.812 2.360 3.968 . 0 0 "[ . 1 . 2]" 1
97 1 85 ILE H 1 85 ILE MG 0.000 . 4.800 3.535 2.621 3.713 . 0 0 "[ . 1 . 2]" 1
98 1 87 THR H 1 87 THR HB 0.000 . 2.900 2.603 2.314 2.804 . 0 0 "[ . 1 . 2]" 1
99 1 88 GLN HA 1 88 GLN HE22 0.000 . 6.000 4.120 3.384 4.826 . 0 0 "[ . 1 . 2]" 1
100 1 89 SER H 1 89 SER QB 0.000 . 3.500 2.286 1.952 2.649 . 0 0 "[ . 1 . 2]" 1
101 1 90 THR H 1 90 THR HA 0.000 . 2.900 2.857 2.758 2.971 0.071 12 0 "[ . 1 . 2]" 1
102 1 90 THR H 1 90 THR HB 0.000 . 3.500 3.087 2.778 3.469 . 0 0 "[ . 1 . 2]" 1
103 1 92 ILE HA 1 92 ILE MD 0.000 . 4.800 3.474 3.338 4.077 . 0 0 "[ . 1 . 2]" 1
104 1 92 ILE H 1 92 ILE MD 0.000 . 4.800 2.097 1.732 3.887 . 0 0 "[ . 1 . 2]" 1
105 1 92 ILE H 1 92 ILE QG 0.000 . 4.300 2.749 1.766 3.341 . 0 0 "[ . 1 . 2]" 1
106 1 92 ILE H 1 92 ILE MG 0.000 . 4.200 2.561 1.843 3.395 . 0 0 "[ . 1 . 2]" 1
107 1 1 ASN HA 1 79 MET ME 0.000 . 6.500 4.281 2.472 5.272 . 0 0 "[ . 1 . 2]" 1
108 1 2 ILE HB 1 81 SER H 0.000 . 6.000 5.194 4.624 5.566 . 0 0 "[ . 1 . 2]" 1
109 1 2 ILE MD 1 29 VAL HA 0.000 . 4.800 3.560 2.992 3.937 . 0 0 "[ . 1 . 2]" 1
110 1 2 ILE MD 1 75 LEU HA 0.000 . 4.800 3.163 2.551 3.974 . 0 0 "[ . 1 . 2]" 1
111 1 2 ILE MD 1 75 LEU H 0.000 . 4.800 3.202 2.492 4.061 . 0 0 "[ . 1 . 2]" 1
112 1 2 ILE MD 1 76 HIS HA 0.000 . 4.800 3.744 3.301 4.021 . 0 0 "[ . 1 . 2]" 1
113 1 2 ILE MD 1 76 HIS QB 0.000 . 5.800 2.019 1.638 2.470 . 0 0 "[ . 1 . 2]" 1
114 1 2 ILE MD 1 76 HIS H 0.000 . 4.800 3.718 2.835 4.091 . 0 0 "[ . 1 . 2]" 1
115 1 2 ILE MD 1 79 MET QB 0.000 . 5.800 3.125 2.460 3.753 . 0 0 "[ . 1 . 2]" 1
116 1 2 ILE MD 1 79 MET QG 0.000 . 7.500 4.276 3.271 5.209 . 0 0 "[ . 1 . 2]" 1
117 1 2 ILE MD 1 81 SER H 0.000 . 4.800 3.581 2.808 3.882 . 0 0 "[ . 1 . 2]" 1
118 1 2 ILE MG 1 79 MET QB 0.000 . 5.200 3.541 3.005 3.754 . 0 0 "[ . 1 . 2]" 1
119 1 2 ILE MG 1 81 SER HA 0.000 . 4.800 3.291 2.497 3.850 . 0 0 "[ . 1 . 2]" 1
120 1 2 ILE MG 1 81 SER H 0.000 . 6.500 3.682 2.883 4.132 . 0 0 "[ . 1 . 2]" 1
121 1 2 ILE H 1 79 MET ME 0.000 . 7.500 4.245 2.755 5.883 . 0 0 "[ . 1 . 2]" 1
122 1 3 ASP QB 1 25 PRO HA 0.000 . 7.000 3.374 2.156 5.214 . 0 0 "[ . 1 . 2]" 1
123 1 3 ASP QB 1 25 PRO QB 0.000 . 7.000 3.635 2.138 5.496 . 0 0 "[ . 1 . 2]" 1
124 1 3 ASP QB 1 26 GLN H 0.000 . 6.000 2.747 1.726 4.103 . 0 0 "[ . 1 . 2]" 1
125 1 3 ASP QB 1 27 GLY H 0.000 . 7.000 3.335 2.036 5.328 . 0 0 "[ . 1 . 2]" 1
126 1 3 ASP H 1 26 GLN QB 0.000 . 6.000 4.833 3.573 5.282 . 0 0 "[ . 1 . 2]" 1
127 1 3 ASP H 1 27 GLY H 0.000 . 5.000 4.471 3.246 5.071 0.071 15 0 "[ . 1 . 2]" 1
128 1 4 ARG QD 1 82 GLN QG 0.000 . 8.000 4.489 2.575 6.115 . 0 0 "[ . 1 . 2]" 1
129 1 4 ARG QD 1 82 GLN H 0.000 . 7.000 4.022 2.338 5.062 . 0 0 "[ . 1 . 2]" 1
130 1 4 ARG QG 1 81 SER HA 0.000 . 7.000 4.177 2.551 6.039 . 0 0 "[ . 1 . 2]" 1
131 1 5 PRO HA 1 22 TRP HD1 0.000 . 6.000 5.744 4.807 6.033 0.033 2 0 "[ . 1 . 2]" 1
132 1 5 PRO HA 1 23 GLU QB 0.000 . 4.300 3.051 2.112 3.763 . 0 0 "[ . 1 . 2]" 1
133 1 5 PRO QB 1 22 TRP HD1 0.000 . 6.000 3.672 2.677 4.642 . 0 0 "[ . 1 . 2]" 1
134 1 5 PRO QB 1 23 GLU H 0.000 . 7.000 3.509 2.760 4.182 . 0 0 "[ . 1 . 2]" 1
135 1 5 PRO QD 1 74 ALA H 0.000 . 6.000 3.654 2.987 4.420 . 0 0 "[ . 1 . 2]" 1
136 1 5 PRO QD 1 82 GLN H 0.000 . 7.000 4.659 3.550 5.949 . 0 0 "[ . 1 . 2]" 1
137 1 5 PRO QG 1 22 TRP HD1 0.000 . 7.000 4.486 2.391 6.121 . 0 0 "[ . 1 . 2]" 1
138 1 6 LYS H 1 22 TRP QB 0.000 . 7.000 4.866 4.008 5.353 . 0 0 "[ . 1 . 2]" 1
139 1 6 LYS H 1 23 GLU QB 0.000 . 3.900 2.395 1.798 2.912 . 0 0 "[ . 1 . 2]" 1
140 1 6 LYS H 1 23 GLU H 0.000 . 5.000 3.710 3.058 4.485 . 0 0 "[ . 1 . 2]" 1
141 1 6 LYS H 1 84 LEU MD2 0.000 . 6.500 3.650 2.918 4.722 . 0 0 "[ . 1 . 2]" 1
142 1 7 GLY QA 1 23 GLU QB 0.000 . 8.000 4.183 3.092 5.418 . 0 0 "[ . 1 . 2]" 1
143 1 7 GLY H 1 84 LEU MD1 0.000 . 5.000 3.078 1.958 4.053 . 0 0 "[ . 1 . 2]" 1
144 1 7 GLY H 1 84 LEU MD2 0.000 . 6.500 3.406 1.975 4.728 . 0 0 "[ . 1 . 2]" 1
145 1 8 LEU HA 1 22 TRP HA 0.000 . 5.000 2.138 1.852 2.509 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU QB 1 84 LEU MD2 0.000 . 5.200 1.728 1.586 1.950 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU MD1 1 20 ILE HA 0.000 . 7.500 3.825 3.330 4.228 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU MD1 1 20 ILE HB 0.000 . 4.200 2.588 2.160 3.006 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU MD1 1 21 ALA H 0.000 . 4.800 3.055 2.469 3.488 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU MD1 1 22 TRP HA 0.000 . 7.500 3.678 2.670 4.309 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU MD1 1 22 TRP QB 0.000 . 7.500 3.751 2.475 4.451 . 0 0 "[ . 1 . 2]" 1
152 1 8 LEU MD1 1 22 TRP HE3 0.000 . 7.500 4.376 3.462 5.299 . 0 0 "[ . 1 . 2]" 1
153 1 8 LEU MD1 1 72 VAL MG2 0.000 . 5.700 3.566 3.191 3.757 . 0 0 "[ . 1 . 2]" 1
154 1 8 LEU MD2 1 22 TRP HA 0.000 . 7.500 4.926 4.498 5.244 . 0 0 "[ . 1 . 2]" 1
155 1 8 LEU MD2 1 23 GLU H 0.000 . 7.500 6.043 5.680 6.241 . 0 0 "[ . 1 . 2]" 1
156 1 8 LEU MD2 1 72 VAL HB 0.000 . 6.500 4.161 3.367 4.920 . 0 0 "[ . 1 . 2]" 1
157 1 8 LEU MD2 1 85 ILE HA 0.000 . 7.500 4.508 4.060 4.858 . 0 0 "[ . 1 . 2]" 1
158 1 8 LEU MD2 1 86 GLY QA 0.000 . 5.800 1.899 1.684 2.170 . 0 0 "[ . 1 . 2]" 1
159 1 8 LEU MD2 1 86 GLY H 0.000 . 5.000 3.883 3.491 4.177 . 0 0 "[ . 1 . 2]" 1
160 1 8 LEU MD2 1 87 THR H 0.000 . 5.000 4.094 3.986 4.186 . 0 0 "[ . 1 . 2]" 1
161 1 8 LEU H 1 23 GLU QB 0.000 . 6.000 5.171 4.872 5.413 . 0 0 "[ . 1 . 2]" 1
162 1 8 LEU H 1 84 LEU MD1 0.000 . 4.200 3.053 2.511 3.294 . 0 0 "[ . 1 . 2]" 1
163 1 8 LEU H 1 84 LEU MD2 0.000 . 4.400 2.502 1.801 3.117 . 0 0 "[ . 1 . 2]" 1
164 1 8 LEU H 1 84 LEU HG 0.000 . 5.000 4.318 3.224 5.045 0.045 16 0 "[ . 1 . 2]" 1
165 1 9 ALA MB 1 20 ILE HA 0.000 . 7.500 4.910 4.475 5.300 . 0 0 "[ . 1 . 2]" 1
166 1 9 ALA MB 1 22 TRP HA 0.000 . 6.500 4.457 3.766 5.160 . 0 0 "[ . 1 . 2]" 1
167 1 9 ALA H 1 21 ALA MB 0.000 . 7.500 3.444 2.939 4.119 . 0 0 "[ . 1 . 2]" 1
168 1 9 ALA H 1 21 ALA H 0.000 . 5.000 3.124 2.651 3.679 . 0 0 "[ . 1 . 2]" 1
169 1 9 ALA H 1 22 TRP HA 0.000 . 5.000 3.134 2.465 3.813 . 0 0 "[ . 1 . 2]" 1
170 1 9 ALA H 1 22 TRP QB 0.000 . 7.000 4.513 3.953 5.150 . 0 0 "[ . 1 . 2]" 1
171 1 10 PHE HA 1 18 ILE MG 0.000 . 6.500 4.745 4.131 5.190 . 0 0 "[ . 1 . 2]" 1
172 1 10 PHE HA 1 20 ILE HA 0.000 . 6.000 2.432 1.956 2.918 . 0 0 "[ . 1 . 2]" 1
173 1 10 PHE HA 1 20 ILE MG 0.000 . 4.800 3.356 2.809 3.690 . 0 0 "[ . 1 . 2]" 1
174 1 10 PHE HA 1 21 ALA H 0.000 . 5.000 3.365 2.776 4.066 . 0 0 "[ . 1 . 2]" 1
175 1 10 PHE QB 1 18 ILE MG 0.000 . 7.500 4.404 3.607 5.049 . 0 0 "[ . 1 . 2]" 1
176 1 10 PHE QB 1 20 ILE MG 0.000 . 8.500 4.067 3.279 4.769 . 0 0 "[ . 1 . 2]" 1
177 1 10 PHE QD 1 18 ILE MG 0.000 . 6.200 3.149 2.653 3.677 . 0 0 "[ . 1 . 2]" 1
178 1 10 PHE QD 1 20 ILE MG 0.000 . 6.200 2.345 1.820 3.121 . 0 0 "[ . 1 . 2]" 1
179 1 10 PHE QE 1 18 ILE MG 0.000 . 6.200 3.437 2.771 4.026 . 0 0 "[ . 1 . 2]" 1
180 1 10 PHE QE 1 20 ILE MG 0.000 . 6.200 2.536 1.927 3.131 . 0 0 "[ . 1 . 2]" 1
181 1 10 PHE QE 1 70 VAL HB 0.000 . 8.000 4.771 3.981 5.344 . 0 0 "[ . 1 . 2]" 1
182 1 10 PHE QE 1 86 GLY QA 0.000 . 8.000 3.434 2.923 3.816 . 0 0 "[ . 1 . 2]" 1
183 1 10 PHE QE 1 87 THR H 0.000 . 5.500 4.804 3.907 5.161 . 0 0 "[ . 1 . 2]" 1
184 1 10 PHE HZ 1 70 VAL HB 0.000 . 6.000 5.097 4.243 5.796 . 0 0 "[ . 1 . 2]" 1
185 1 10 PHE HZ 1 86 GLY QA 0.000 . 7.000 2.573 2.039 3.202 . 0 0 "[ . 1 . 2]" 1
186 1 10 PHE HZ 1 87 THR H 0.000 . 5.000 3.973 2.677 4.472 . 0 0 "[ . 1 . 2]" 1
187 1 11 THR HB 1 19 LYS QG 0.000 . 4.300 3.621 2.487 3.946 . 0 0 "[ . 1 . 2]" 1
188 1 11 THR HB 1 21 ALA MB 0.000 . 7.500 4.684 4.084 5.527 . 0 0 "[ . 1 . 2]" 1
189 1 11 THR MG 1 19 LYS QE 0.000 . 5.800 3.297 1.740 4.231 . 0 0 "[ . 1 . 2]" 1
190 1 11 THR H 1 19 LYS H 0.000 . 5.000 4.489 3.620 5.024 0.024 5 0 "[ . 1 . 2]" 1
191 1 11 THR H 1 20 ILE HA 0.000 . 3.500 2.855 2.475 3.139 . 0 0 "[ . 1 . 2]" 1
192 1 11 THR H 1 20 ILE MG 0.000 . 6.500 3.925 3.432 4.400 . 0 0 "[ . 1 . 2]" 1
193 1 11 THR H 1 21 ALA MB 0.000 . 6.500 4.490 3.677 5.228 . 0 0 "[ . 1 . 2]" 1
194 1 11 THR H 1 21 ALA H 0.000 . 6.000 4.283 3.588 4.812 . 0 0 "[ . 1 . 2]" 1
195 1 12 ASP HA 1 19 LYS H 0.000 . 5.000 4.784 4.519 5.008 0.008 8 0 "[ . 1 . 2]" 1
196 1 12 ASP QB 1 19 LYS QB 0.000 . 5.300 2.514 2.005 3.063 . 0 0 "[ . 1 . 2]" 1
197 1 12 ASP QB 1 19 LYS QD 0.000 . 5.300 2.663 1.849 4.241 . 0 0 "[ . 1 . 2]" 1
198 1 12 ASP QB 1 19 LYS QG 0.000 . 8.000 3.837 2.264 4.653 . 0 0 "[ . 1 . 2]" 1
199 1 12 ASP QB 1 19 LYS H 0.000 . 6.000 3.408 3.052 4.088 . 0 0 "[ . 1 . 2]" 1
200 1 12 ASP H 1 19 LYS QB 0.000 . 6.000 2.248 1.843 2.900 . 0 0 "[ . 1 . 2]" 1
201 1 12 ASP H 1 19 LYS QD 0.000 . 6.000 3.749 2.839 5.033 . 0 0 "[ . 1 . 2]" 1
202 1 12 ASP H 1 19 LYS H 0.000 . 3.500 3.040 2.553 3.466 . 0 0 "[ . 1 . 2]" 1
203 1 13 VAL HA 1 19 LYS H 0.000 . 3.500 3.328 2.953 3.543 0.043 16 0 "[ . 1 . 2]" 1
204 1 13 VAL MG1 1 88 GLN HE21 0.000 . 4.800 3.093 2.227 3.731 . 0 0 "[ . 1 . 2]" 1
205 1 13 VAL MG1 1 88 GLN HE22 0.000 . 4.800 3.239 2.574 3.740 . 0 0 "[ . 1 . 2]" 1
206 1 13 VAL MG1 1 91 ALA H 0.000 . 4.800 3.598 3.087 3.899 . 0 0 "[ . 1 . 2]" 1
207 1 13 VAL MG2 1 88 GLN HE21 0.000 . 6.500 2.261 1.777 4.203 . 0 0 "[ . 1 . 2]" 1
208 1 13 VAL MG2 1 88 GLN HE22 0.000 . 4.800 3.040 1.899 3.698 . 0 0 "[ . 1 . 2]" 1
209 1 13 VAL MG2 1 90 THR HA 0.000 . 4.800 2.494 1.958 3.259 . 0 0 "[ . 1 . 2]" 1
210 1 13 VAL MG2 1 91 ALA H 0.000 . 5.000 2.777 1.995 3.472 . 0 0 "[ . 1 . 2]" 1
211 1 13 VAL H 1 19 LYS H 0.000 . 5.000 4.807 4.423 4.963 . 0 0 "[ . 1 . 2]" 1
212 1 14 ASP HA 1 91 ALA MB 0.000 . 4.200 2.540 1.745 3.337 . 0 0 "[ . 1 . 2]" 1
213 1 14 ASP QB 1 91 ALA MB 0.000 . 8.500 4.248 3.442 4.988 . 0 0 "[ . 1 . 2]" 1
214 1 14 ASP H 1 91 ALA MB 0.000 . 7.500 4.410 3.623 5.150 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL HA 1 64 PRO HA 0.000 . 6.000 4.104 3.047 6.008 0.008 14 0 "[ . 1 . 2]" 1
216 1 15 VAL HA 1 65 GLY H 0.000 . 5.000 3.943 2.865 5.042 0.042 1 0 "[ . 1 . 2]" 1
217 1 15 VAL HA 1 90 THR MG 0.000 . 4.200 2.097 1.751 2.661 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL HA 1 91 ALA H 0.000 . 5.000 3.159 2.498 4.098 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL HB 1 91 ALA MB 0.000 . 4.800 3.055 2.148 4.009 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL HB 1 91 ALA H 0.000 . 5.000 4.099 3.278 5.012 0.012 1 0 "[ . 1 . 2]" 1
221 1 15 VAL HB 1 92 ILE HA 0.000 . 5.000 2.232 1.861 2.744 . 0 0 "[ . 1 . 2]" 1
222 1 15 VAL HB 1 92 ILE MG 0.000 . 4.800 3.753 3.483 3.963 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL MG1 1 64 PRO HA 0.000 . 7.500 4.776 4.056 6.311 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL MG1 1 90 THR HB 0.000 . 6.500 5.211 4.564 5.518 . 0 0 "[ . 1 . 2]" 1
225 1 15 VAL MG1 1 91 ALA HA 0.000 . 6.500 5.278 4.906 5.474 . 0 0 "[ . 1 . 2]" 1
226 1 15 VAL MG1 1 91 ALA MB 0.000 . 5.700 3.223 2.462 3.689 . 0 0 "[ . 1 . 2]" 1
227 1 15 VAL MG1 1 92 ILE H 0.000 . 7.500 4.193 3.404 4.805 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL MG1 1 93 PRO QB 0.000 . 5.800 3.249 2.531 3.936 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL MG1 1 93 PRO QD 0.000 . 5.800 2.955 1.803 3.992 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL MG1 1 94 ALA H 0.000 . 6.500 4.262 3.240 5.262 . 0 0 "[ . 1 . 2]" 1
231 1 15 VAL MG2 1 65 GLY QA 0.000 . 8.500 3.659 1.866 5.185 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL MG2 1 65 GLY H 0.000 . 6.500 2.975 1.840 3.814 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL MG2 1 90 THR HB 0.000 . 6.500 3.629 2.915 4.227 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL MG2 1 90 THR MG 0.000 . 5.700 3.457 2.830 3.764 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL H 1 91 ALA MB 0.000 . 4.800 2.301 1.762 3.073 . 0 0 "[ . 1 . 2]" 1
236 1 16 ASP HA 1 62 LEU HG 0.000 . 3.300 3.318 3.006 3.397 0.097 4 0 "[ . 1 . 2]" 1
237 1 16 ASP HA 1 62 LEU H 0.000 . 3.500 2.248 1.851 2.753 . 0 0 "[ . 1 . 2]" 1
238 1 16 ASP HA 1 90 THR MG 0.000 . 7.500 3.869 2.821 4.481 . 0 0 "[ . 1 . 2]" 1
239 1 16 ASP QB 1 61 GLY H 0.000 . 7.000 3.472 2.682 4.229 . 0 0 "[ . 1 . 2]" 1
240 1 16 ASP QB 1 62 LEU H 0.000 . 4.500 3.303 2.374 4.094 . 0 0 "[ . 1 . 2]" 1
241 1 17 SER HA 1 62 LEU MD1 0.000 . 7.500 3.532 1.992 4.131 . 0 0 "[ . 1 . 2]" 1
242 1 17 SER HA 1 62 LEU HG 0.000 . 6.000 3.750 2.925 4.527 . 0 0 "[ . 1 . 2]" 1
243 1 17 SER QB 1 60 GLN HA 0.000 . 4.300 3.087 1.853 3.821 . 0 0 "[ . 1 . 2]" 1
244 1 17 SER QB 1 60 GLN QG 0.000 . 5.300 3.166 2.070 3.877 . 0 0 "[ . 1 . 2]" 1
245 1 17 SER QB 1 61 GLY H 0.000 . 7.000 3.839 3.057 4.415 . 0 0 "[ . 1 . 2]" 1
246 1 17 SER QB 1 62 LEU H 0.000 . 6.000 5.260 4.936 5.484 . 0 0 "[ . 1 . 2]" 1
247 1 17 SER H 1 62 LEU MD1 0.000 . 6.500 3.201 2.099 3.783 . 0 0 "[ . 1 . 2]" 1
248 1 17 SER H 1 90 THR MG 0.000 . 4.800 3.439 2.933 3.785 . 0 0 "[ . 1 . 2]" 1
249 1 18 ILE HB 1 62 LEU MD1 0.000 . 7.500 2.820 2.322 3.546 . 0 0 "[ . 1 . 2]" 1
250 1 18 ILE MD 1 62 LEU MD1 0.000 . 5.700 2.350 1.626 3.271 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE MD 1 68 TYR QB 0.000 . 8.500 3.531 2.543 4.796 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE MD 1 88 GLN QG 0.000 . 8.500 4.150 2.610 5.279 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE MD 1 89 SER H 0.000 . 7.500 5.876 5.250 6.167 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE MD 1 90 THR HA 0.000 . 6.500 2.946 2.301 3.676 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE MD 1 90 THR MG 0.000 . 6.300 1.988 1.689 2.668 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE MD 1 90 THR H 0.000 . 6.500 4.445 3.986 4.938 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE QG 1 90 THR HA 0.000 . 7.000 4.156 3.295 4.828 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE MG 1 62 LEU MD1 0.000 . 9.000 3.725 3.318 4.038 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE H 1 59 LEU QB 0.000 . 6.000 2.940 2.366 3.639 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE H 1 59 LEU H 0.000 . 5.000 3.562 2.889 4.057 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE H 1 60 GLN H 0.000 . 5.000 4.509 3.996 4.735 . 0 0 "[ . 1 . 2]" 1
262 1 18 ILE H 1 62 LEU MD1 0.000 . 6.500 3.078 2.429 3.657 . 0 0 "[ . 1 . 2]" 1
263 1 19 LYS HA 1 57 ALA H 0.000 . 6.000 4.424 3.459 4.948 . 0 0 "[ . 1 . 2]" 1
264 1 19 LYS HA 1 58 GLU HA 0.000 . 6.000 2.846 2.301 3.238 . 0 0 "[ . 1 . 2]" 1
265 1 19 LYS HA 1 59 LEU H 0.000 . 5.000 3.427 2.613 4.193 . 0 0 "[ . 1 . 2]" 1
266 1 19 LYS QB 1 58 GLU HA 0.000 . 6.000 4.387 3.574 5.074 . 0 0 "[ . 1 . 2]" 1
267 1 19 LYS QG 1 58 GLU QG 0.000 . 5.300 2.829 2.071 4.311 . 0 0 "[ . 1 . 2]" 1
268 1 19 LYS H 1 59 LEU H 0.000 . 6.000 5.141 4.604 5.364 . 0 0 "[ . 1 . 2]" 1
269 1 20 ILE MD 1 56 THR HA 0.000 . 7.500 4.631 2.664 5.430 . 0 0 "[ . 1 . 2]" 1
270 1 20 ILE MD 1 57 ALA MB 0.000 . 5.700 2.593 1.871 3.615 . 0 0 "[ . 1 . 2]" 1
271 1 20 ILE MD 1 57 ALA H 0.000 . 6.500 3.947 2.220 4.756 . 0 0 "[ . 1 . 2]" 1
272 1 20 ILE MD 1 72 VAL MG2 0.000 . 5.700 2.479 2.113 3.900 . 0 0 "[ . 1 . 2]" 1
273 1 20 ILE QG 1 57 ALA H 0.000 . 3.900 2.602 1.950 3.204 . 0 0 "[ . 1 . 2]" 1
274 1 20 ILE QG 1 72 VAL MG2 0.000 . 5.200 3.744 3.019 4.000 . 0 0 "[ . 1 . 2]" 1
275 1 20 ILE MG 1 59 LEU MD1 0.000 . 5.700 3.038 2.319 3.478 . 0 0 "[ . 1 . 2]" 1
276 1 20 ILE H 1 57 ALA H 0.000 . 5.000 3.002 2.496 3.389 . 0 0 "[ . 1 . 2]" 1
277 1 20 ILE H 1 58 GLU HA 0.000 . 5.000 4.061 3.686 4.531 . 0 0 "[ . 1 . 2]" 1
278 1 20 ILE H 1 59 LEU H 0.000 . 6.000 4.019 3.515 4.423 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA HA 1 57 ALA H 0.000 . 5.000 3.584 3.303 4.100 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA MB 1 55 ASP QB 0.000 . 8.500 4.076 3.759 4.770 . 0 0 "[ . 1 . 2]" 1
281 1 21 ALA MB 1 56 THR HA 0.000 . 4.200 3.350 3.175 3.469 . 0 0 "[ . 1 . 2]" 1
282 1 21 ALA MB 1 56 THR HB 0.000 . 6.500 3.045 2.640 3.628 . 0 0 "[ . 1 . 2]" 1
283 1 21 ALA MB 1 56 THR MG 0.000 . 5.700 1.656 1.585 1.789 . 0 0 "[ . 1 . 2]" 1
284 1 21 ALA MB 1 57 ALA H 0.000 . 7.500 4.410 4.107 4.780 . 0 0 "[ . 1 . 2]" 1
285 1 22 TRP HD1 1 72 VAL MG1 0.000 . 4.800 3.824 3.243 4.058 . 0 0 "[ . 1 . 2]" 1
286 1 22 TRP HD1 1 74 ALA MB 0.000 . 6.500 5.163 4.512 5.306 . 0 0 "[ . 1 . 2]" 1
287 1 22 TRP HE1 1 55 ASP HA 0.000 . 3.500 2.878 2.026 3.552 0.052 9 0 "[ . 1 . 2]" 1
288 1 22 TRP HE1 1 55 ASP QB 0.000 . 6.000 3.824 3.058 5.244 . 0 0 "[ . 1 . 2]" 1
289 1 22 TRP HE3 1 57 ALA H 0.000 . 5.000 4.339 3.577 5.018 0.018 7 0 "[ . 1 . 2]" 1
290 1 22 TRP HH2 1 34 VAL MG2 0.000 . 6.500 3.523 2.478 4.741 . 0 0 "[ . 1 . 2]" 1
291 1 22 TRP HH2 1 57 ALA HA 0.000 . 6.000 3.389 2.975 4.192 . 0 0 "[ . 1 . 2]" 1
292 1 22 TRP HH2 1 57 ALA MB 0.000 . 4.200 2.366 1.787 3.327 . 0 0 "[ . 1 . 2]" 1
293 1 22 TRP HH2 1 57 ALA H 0.000 . 6.000 4.207 3.944 4.905 . 0 0 "[ . 1 . 2]" 1
294 1 22 TRP H 1 55 ASP QB 0.000 . 6.000 3.990 3.333 4.891 . 0 0 "[ . 1 . 2]" 1
295 1 22 TRP H 1 56 THR HA 0.000 . 2.900 2.894 2.631 2.979 0.079 15 0 "[ . 1 . 2]" 1
296 1 22 TRP H 1 56 THR MG 0.000 . 4.400 3.287 3.078 3.358 . 0 0 "[ . 1 . 2]" 1
297 1 22 TRP HZ2 1 55 ASP HA 0.000 . 6.000 3.075 2.103 4.176 . 0 0 "[ . 1 . 2]" 1
298 1 22 TRP HZ2 1 57 ALA MB 0.000 . 7.500 4.456 3.826 5.236 . 0 0 "[ . 1 . 2]" 1
299 1 22 TRP HZ2 1 57 ALA H 0.000 . 6.000 5.951 5.576 6.061 0.061 9 0 "[ . 1 . 2]" 1
300 1 22 TRP HZ3 1 57 ALA MB 0.000 . 7.500 1.784 1.682 1.859 . 0 0 "[ . 1 . 2]" 1
301 1 22 TRP HZ3 1 57 ALA H 0.000 . 5.000 3.033 2.394 4.286 . 0 0 "[ . 1 . 2]" 1
302 1 24 SER H 1 55 ASP QB 0.000 . 7.000 4.080 3.124 6.137 . 0 0 "[ . 1 . 2]" 1
303 1 29 VAL HA 1 76 HIS QB 0.000 . 7.000 4.215 3.422 5.640 . 0 0 "[ . 1 . 2]" 1
304 1 29 VAL MG1 1 52 GLY QA 0.000 . 8.500 5.399 2.680 6.159 . 0 0 "[ . 1 . 2]" 1
305 1 29 VAL MG1 1 74 ALA HA 0.000 . 6.500 3.677 2.547 4.662 . 0 0 "[ . 1 . 2]" 1
306 1 29 VAL MG1 1 74 ALA MB 0.000 . 5.700 3.224 2.265 3.784 . 0 0 "[ . 1 . 2]" 1
307 1 29 VAL MG1 1 75 LEU H 0.000 . 4.800 2.826 1.799 3.784 . 0 0 "[ . 1 . 2]" 1
308 1 29 VAL MG2 1 74 ALA HA 0.000 . 7.500 3.474 2.373 4.996 . 0 0 "[ . 1 . 2]" 1
309 1 29 VAL MG2 1 74 ALA MB 0.000 . 5.700 2.118 1.693 3.345 . 0 0 "[ . 1 . 2]" 1
310 1 29 VAL MG2 1 75 LEU H 0.000 . 5.000 2.616 1.758 3.917 . 0 0 "[ . 1 . 2]" 1
311 1 30 SER QB 1 76 HIS HA 0.000 . 4.300 2.773 1.734 3.802 . 0 0 "[ . 1 . 2]" 1
312 1 30 SER H 1 75 LEU H 0.000 . 6.000 4.224 3.497 4.947 . 0 0 "[ . 1 . 2]" 1
313 1 30 SER H 1 76 HIS HA 0.000 . 3.500 2.846 1.880 3.512 0.012 15 0 "[ . 1 . 2]" 1
314 1 30 SER H 1 76 HIS QB 0.000 . 6.000 4.311 3.205 5.244 . 0 0 "[ . 1 . 2]" 1
315 1 31 ARG HA 1 75 LEU MD1 0.000 . 4.800 3.860 3.766 3.968 . 0 0 "[ . 1 . 2]" 1
316 1 31 ARG HA 1 75 LEU MD2 0.000 . 7.500 6.203 6.060 6.343 . 0 0 "[ . 1 . 2]" 1
317 1 31 ARG QB 1 49 ALA MB 0.000 . 5.800 3.961 2.957 4.262 . 0 0 "[ . 1 . 2]" 1
318 1 31 ARG QB 1 75 LEU MD1 0.000 . 5.200 1.879 1.670 2.409 . 0 0 "[ . 1 . 2]" 1
319 1 31 ARG QD 1 49 ALA MB 0.000 . 5.200 3.289 2.218 3.906 . 0 0 "[ . 1 . 2]" 1
320 1 31 ARG QG 1 49 ALA MB 0.000 . 5.800 2.353 1.821 3.177 . 0 0 "[ . 1 . 2]" 1
321 1 31 ARG QG 1 49 ALA H 0.000 . 4.500 3.829 3.368 4.127 . 0 0 "[ . 1 . 2]" 1
322 1 31 ARG QG 1 75 LEU MD1 0.000 . 5.800 3.035 2.096 3.638 . 0 0 "[ . 1 . 2]" 1
323 1 31 ARG H 1 75 LEU QB 0.000 . 4.500 2.632 1.886 3.570 . 0 0 "[ . 1 . 2]" 1
324 1 31 ARG H 1 75 LEU H 0.000 . 5.000 3.394 2.935 3.805 . 0 0 "[ . 1 . 2]" 1
325 1 32 TYR HA 1 74 ALA HA 0.000 . 6.000 2.459 1.942 3.283 . 0 0 "[ . 1 . 2]" 1
326 1 32 TYR HA 1 75 LEU QB 0.000 . 7.000 3.686 2.913 4.198 . 0 0 "[ . 1 . 2]" 1
327 1 32 TYR HA 1 75 LEU MD1 0.000 . 7.500 2.855 1.960 3.638 . 0 0 "[ . 1 . 2]" 1
328 1 32 TYR HA 1 75 LEU H 0.000 . 6.000 3.193 2.514 3.638 . 0 0 "[ . 1 . 2]" 1
329 1 32 TYR QD 1 74 ALA HA 0.000 . 8.000 3.352 2.274 4.688 . 0 0 "[ . 1 . 2]" 1
330 1 32 TYR QD 1 75 LEU H 0.000 . 8.000 4.355 3.081 5.363 . 0 0 "[ . 1 . 2]" 1
331 1 32 TYR H 1 49 ALA MB 0.000 . 7.500 3.534 1.802 5.508 . 0 0 "[ . 1 . 2]" 1
332 1 32 TYR H 1 75 LEU MD1 0.000 . 4.800 3.077 2.210 3.864 . 0 0 "[ . 1 . 2]" 1
333 1 33 ARG HA 1 75 LEU MD1 0.000 . 7.500 3.382 2.316 4.147 . 0 0 "[ . 1 . 2]" 1
334 1 33 ARG QD 1 75 LEU MD1 0.000 . 5.200 3.002 2.267 3.435 . 0 0 "[ . 1 . 2]" 1
335 1 33 ARG QD 1 75 LEU MD2 0.000 . 5.800 3.052 1.897 3.901 . 0 0 "[ . 1 . 2]" 1
336 1 33 ARG HE 1 75 LEU MD1 0.000 . 6.500 4.467 2.863 5.125 . 0 0 "[ . 1 . 2]" 1
337 1 33 ARG HE 1 75 LEU MD2 0.000 . 6.500 4.434 2.912 5.270 . 0 0 "[ . 1 . 2]" 1
338 1 33 ARG H 1 73 VAL HB 0.000 . 5.000 3.417 2.835 3.879 . 0 0 "[ . 1 . 2]" 1
339 1 33 ARG H 1 73 VAL MG1 0.000 . 7.500 3.982 3.446 4.564 . 0 0 "[ . 1 . 2]" 1
340 1 33 ARG H 1 73 VAL H 0.000 . 6.000 3.913 2.946 4.402 . 0 0 "[ . 1 . 2]" 1
341 1 33 ARG H 1 74 ALA HA 0.000 . 5.000 3.546 3.010 4.065 . 0 0 "[ . 1 . 2]" 1
342 1 33 ARG H 1 75 LEU MD1 0.000 . 4.800 2.571 2.060 3.683 . 0 0 "[ . 1 . 2]" 1
343 1 33 ARG H 1 75 LEU H 0.000 . 5.000 4.560 3.822 5.009 0.009 14 0 "[ . 1 . 2]" 1
344 1 34 VAL HA 1 46 LEU H 0.000 . 6.000 4.764 4.196 5.530 . 0 0 "[ . 1 . 2]" 1
345 1 34 VAL HA 1 72 VAL HA 0.000 . 6.000 2.750 2.358 3.205 . 0 0 "[ . 1 . 2]" 1
346 1 34 VAL HA 1 73 VAL H 0.000 . 5.000 3.212 2.542 3.804 . 0 0 "[ . 1 . 2]" 1
347 1 34 VAL MG1 1 57 ALA MB 0.000 . 6.300 2.905 2.103 3.717 . 0 0 "[ . 1 . 2]" 1
348 1 34 VAL MG1 1 59 LEU MD2 0.000 . 5.700 2.700 1.869 3.553 . 0 0 "[ . 1 . 2]" 1
349 1 34 VAL MG1 1 72 VAL MG2 0.000 . 5.700 2.920 2.069 3.742 . 0 0 "[ . 1 . 2]" 1
350 1 34 VAL MG2 1 46 LEU MD2 0.000 . 6.300 3.127 1.882 3.799 . 0 0 "[ . 1 . 2]" 1
351 1 34 VAL MG2 1 57 ALA MB 0.000 . 6.300 3.006 2.244 3.761 . 0 0 "[ . 1 . 2]" 1
352 1 34 VAL MG2 1 72 VAL HA 0.000 . 7.500 3.390 2.165 4.224 . 0 0 "[ . 1 . 2]" 1
353 1 34 VAL MG2 1 72 VAL MG1 0.000 . 6.300 3.282 2.461 3.983 . 0 0 "[ . 1 . 2]" 1
354 1 34 VAL MG2 1 72 VAL MG2 0.000 . 6.300 3.313 2.130 4.063 . 0 0 "[ . 1 . 2]" 1
355 1 34 VAL MG2 1 73 VAL H 0.000 . 7.500 3.623 2.789 4.473 . 0 0 "[ . 1 . 2]" 1
356 1 34 VAL H 1 46 LEU QB 0.000 . 7.000 3.204 1.823 3.870 . 0 0 "[ . 1 . 2]" 1
357 1 34 VAL H 1 46 LEU H 0.000 . 6.000 3.348 2.376 4.692 . 0 0 "[ . 1 . 2]" 1
358 1 35 THR HA 1 45 GLU HA 0.000 . 5.000 2.248 1.821 2.785 . 0 0 "[ . 1 . 2]" 1
359 1 35 THR HA 1 45 GLU QG 0.000 . 7.000 4.190 3.105 5.121 . 0 0 "[ . 1 . 2]" 1
360 1 35 THR HA 1 46 LEU H 0.000 . 5.000 3.075 2.633 3.642 . 0 0 "[ . 1 . 2]" 1
361 1 35 THR HB 1 43 ILE MG 0.000 . 6.500 4.859 4.075 5.274 . 0 0 "[ . 1 . 2]" 1
362 1 35 THR HB 1 71 SER QB 0.000 . 7.000 3.295 2.247 4.020 . 0 0 "[ . 1 . 2]" 1
363 1 35 THR MG 1 43 ILE MG 0.000 . 6.300 3.962 3.693 4.129 . 0 0 "[ . 1 . 2]" 1
364 1 35 THR MG 1 44 HIS H 0.000 . 7.500 4.092 3.673 4.564 . 0 0 "[ . 1 . 2]" 1
365 1 35 THR MG 1 45 GLU HA 0.000 . 4.800 2.035 1.704 2.859 . 0 0 "[ . 1 . 2]" 1
366 1 35 THR MG 1 45 GLU QG 0.000 . 5.200 2.519 1.612 3.889 . 0 0 "[ . 1 . 2]" 1
367 1 35 THR MG 1 46 LEU H 0.000 . 5.000 3.272 2.505 3.930 . 0 0 "[ . 1 . 2]" 1
368 1 35 THR H 1 45 GLU HA 0.000 . 5.000 4.696 4.174 5.064 0.064 4 0 "[ . 1 . 2]" 1
369 1 35 THR H 1 71 SER QB 0.000 . 7.000 3.507 2.914 4.609 . 0 0 "[ . 1 . 2]" 1
370 1 35 THR H 1 72 VAL HA 0.000 . 5.000 3.693 3.209 4.124 . 0 0 "[ . 1 . 2]" 1
371 1 35 THR H 1 73 VAL H 0.000 . 6.000 4.237 3.510 4.980 . 0 0 "[ . 1 . 2]" 1
372 1 36 TYR HA 1 70 VAL HA 0.000 . 6.000 1.822 1.749 1.905 . 0 0 "[ . 1 . 2]" 1
373 1 36 TYR HA 1 70 VAL QG 0.000 . 8.400 2.756 2.379 2.920 . 0 0 "[ . 1 . 2]" 1
374 1 36 TYR HA 1 71 SER H 0.000 . 3.300 2.826 2.259 3.377 0.077 7 0 "[ . 1 . 2]" 1
375 1 36 TYR QB 1 59 LEU MD1 0.000 . 8.500 3.023 2.188 4.121 . 0 0 "[ . 1 . 2]" 1
376 1 36 TYR QB 1 70 VAL QG 0.000 . 6.700 1.887 1.582 2.260 . 0 0 "[ . 1 . 2]" 1
377 1 36 TYR QD 1 46 LEU H 0.000 . 8.000 4.521 3.569 5.160 . 0 0 "[ . 1 . 2]" 1
378 1 36 TYR QD 1 59 LEU MD1 0.000 . 9.500 3.097 2.213 3.886 . 0 0 "[ . 1 . 2]" 1
379 1 36 TYR QD 1 59 LEU MD2 0.000 . 6.800 3.306 2.742 4.211 . 0 0 "[ . 1 . 2]" 1
380 1 36 TYR QD 1 62 LEU MD2 0.000 . 8.500 4.002 3.098 4.915 . 0 0 "[ . 1 . 2]" 1
381 1 36 TYR QD 1 68 TYR QD 0.000 . 7.300 4.528 3.403 5.567 . 0 0 "[ . 1 . 2]" 1
382 1 36 TYR QD 1 70 VAL QG 0.000 . 10.400 2.583 2.074 3.080 . 0 0 "[ . 1 . 2]" 1
383 1 36 TYR QD 1 71 SER H 0.000 . 5.300 4.165 3.897 4.840 . 0 0 "[ . 1 . 2]" 1
384 1 36 TYR QE 1 45 GLU H 0.000 . 8.000 4.417 3.724 5.282 . 0 0 "[ . 1 . 2]" 1
385 1 36 TYR QE 1 46 LEU HA 0.000 . 7.000 4.096 3.328 4.482 . 0 0 "[ . 1 . 2]" 1
386 1 36 TYR QE 1 46 LEU MD1 0.000 . 8.500 3.222 2.704 3.943 . 0 0 "[ . 1 . 2]" 1
387 1 36 TYR QE 1 46 LEU H 0.000 . 7.000 3.099 2.281 4.019 . 0 0 "[ . 1 . 2]" 1
388 1 36 TYR QE 1 47 PHE H 0.000 . 7.000 5.844 5.418 6.275 . 0 0 "[ . 1 . 2]" 1
389 1 36 TYR QE 1 59 LEU MD2 0.000 . 8.500 2.956 1.810 3.797 . 0 0 "[ . 1 . 2]" 1
390 1 36 TYR QE 1 62 LEU MD2 0.000 . 6.200 4.222 3.553 4.761 . 0 0 "[ . 1 . 2]" 1
391 1 36 TYR QE 1 68 TYR QD 0.000 . 10.000 6.308 5.462 7.189 . 0 0 "[ . 1 . 2]" 1
392 1 36 TYR H 1 43 ILE QG 0.000 . 7.000 2.983 2.777 3.392 . 0 0 "[ . 1 . 2]" 1
393 1 36 TYR H 1 43 ILE MG 0.000 . 6.500 5.033 4.680 5.341 . 0 0 "[ . 1 . 2]" 1
394 1 36 TYR H 1 44 HIS H 0.000 . 5.000 2.707 2.396 3.297 . 0 0 "[ . 1 . 2]" 1
395 1 37 SER HA 1 43 ILE HA 0.000 . 5.000 1.833 1.751 1.932 . 0 0 "[ . 1 . 2]" 1
396 1 37 SER HA 1 43 ILE QG 0.000 . 7.000 2.535 1.860 3.319 . 0 0 "[ . 1 . 2]" 1
397 1 37 SER HA 1 43 ILE MG 0.000 . 7.500 4.296 3.762 4.665 . 0 0 "[ . 1 . 2]" 1
398 1 37 SER HA 1 44 HIS H 0.000 . 5.000 3.414 2.747 3.764 . 0 0 "[ . 1 . 2]" 1
399 1 37 SER QB 1 43 ILE HA 0.000 . 6.000 2.811 1.803 3.670 . 0 0 "[ . 1 . 2]" 1
400 1 37 SER QB 1 43 ILE HB 0.000 . 7.000 2.226 1.792 2.805 . 0 0 "[ . 1 . 2]" 1
401 1 37 SER QB 1 43 ILE MD 0.000 . 6.200 2.184 1.762 3.432 . 0 0 "[ . 1 . 2]" 1
402 1 37 SER QB 1 43 ILE QG 0.000 . 7.000 2.133 1.843 3.043 . 0 0 "[ . 1 . 2]" 1
403 1 37 SER QB 1 43 ILE MG 0.000 . 5.200 3.595 3.223 3.967 . 0 0 "[ . 1 . 2]" 1
404 1 37 SER QB 1 43 ILE H 0.000 . 6.000 4.254 3.022 5.085 . 0 0 "[ . 1 . 2]" 1
405 1 37 SER QB 1 44 HIS H 0.000 . 6.000 4.132 3.238 4.953 . 0 0 "[ . 1 . 2]" 1
406 1 37 SER H 1 68 TYR HA 0.000 . 6.000 5.194 4.276 5.929 . 0 0 "[ . 1 . 2]" 1
407 1 37 SER H 1 69 THR HB 0.000 . 5.000 3.238 2.558 3.837 . 0 0 "[ . 1 . 2]" 1
408 1 37 SER H 1 69 THR H 0.000 . 5.000 3.629 2.903 4.138 . 0 0 "[ . 1 . 2]" 1
409 1 37 SER H 1 70 VAL HA 0.000 . 5.000 3.150 2.842 3.538 . 0 0 "[ . 1 . 2]" 1
410 1 37 SER H 1 70 VAL QG 0.000 . 5.100 3.675 3.469 3.878 . 0 0 "[ . 1 . 2]" 1
411 1 38 SER H 1 44 HIS H 0.000 . 6.000 5.473 4.607 5.974 . 0 0 "[ . 1 . 2]" 1
412 1 41 ASP QB 1 63 ARG QG 0.000 . 8.000 4.413 2.661 6.213 . 0 0 "[ . 1 . 2]" 1
413 1 43 ILE MD 1 69 THR HB 0.000 . 7.500 5.254 4.453 5.891 . 0 0 "[ . 1 . 2]" 1
414 1 43 ILE MD 1 71 SER H 0.000 . 6.500 5.073 4.736 5.274 . 0 0 "[ . 1 . 2]" 1
415 1 46 LEU QB 1 59 LEU MD2 0.000 . 7.500 3.556 3.177 3.937 . 0 0 "[ . 1 . 2]" 1
416 1 46 LEU MD1 1 59 LEU MD2 0.000 . 5.700 3.509 2.970 3.879 . 0 0 "[ . 1 . 2]" 1
417 1 46 LEU MD1 1 60 GLN H 0.000 . 7.500 5.822 4.636 6.170 . 0 0 "[ . 1 . 2]" 1
418 1 46 LEU MD2 1 57 ALA HA 0.000 . 7.500 4.784 3.381 5.939 . 0 0 "[ . 1 . 2]" 1
419 1 46 LEU MD2 1 59 LEU MD2 0.000 . 5.700 2.465 2.000 3.000 . 0 0 "[ . 1 . 2]" 1
420 1 49 ALA MB 1 75 LEU MD1 0.000 . 9.000 4.911 3.181 5.810 . 0 0 "[ . 1 . 2]" 1
421 1 59 LEU MD1 1 68 TYR QD 0.000 . 9.500 4.076 3.266 5.604 . 0 0 "[ . 1 . 2]" 1
422 1 59 LEU MD1 1 70 VAL QG 0.000 . 6.600 1.955 1.635 2.375 . 0 0 "[ . 1 . 2]" 1
423 1 62 LEU MD1 1 68 TYR QD 0.000 . 9.500 3.341 2.321 4.061 . 0 0 "[ . 1 . 2]" 1
424 1 62 LEU MD1 1 90 THR MG 0.000 . 5.700 2.696 2.273 3.207 . 0 0 "[ . 1 . 2]" 1
425 1 62 LEU MD2 1 68 TYR QD 0.000 . 8.500 4.078 3.447 5.235 . 0 0 "[ . 1 . 2]" 1
426 1 62 LEU MD2 1 68 TYR QE 0.000 . 8.500 3.070 2.226 4.148 . 0 0 "[ . 1 . 2]" 1
427 1 62 LEU MD2 1 90 THR MG 0.000 . 8.000 4.560 4.111 5.029 . 0 0 "[ . 1 . 2]" 1
428 1 62 LEU H 1 90 THR MG 0.000 . 6.500 4.844 4.176 5.439 . 0 0 "[ . 1 . 2]" 1
429 1 64 PRO HA 1 90 THR HB 0.000 . 6.000 4.072 2.576 6.208 0.208 14 0 "[ . 1 . 2]" 1
430 1 64 PRO HA 1 90 THR MG 0.000 . 7.500 4.294 3.128 5.958 . 0 0 "[ . 1 . 2]" 1
431 1 65 GLY QA 1 92 ILE MD 0.000 . 8.500 4.856 3.765 5.659 . 0 0 "[ . 1 . 2]" 1
432 1 65 GLY QA 1 92 ILE QG 0.000 . 7.000 4.811 3.715 5.473 . 0 0 "[ . 1 . 2]" 1
433 1 65 GLY QA 1 92 ILE MG 0.000 . 8.500 2.403 1.770 3.387 . 0 0 "[ . 1 . 2]" 1
434 1 65 GLY QA 1 92 ILE H 0.000 . 6.000 4.845 3.573 5.334 . 0 0 "[ . 1 . 2]" 1
435 1 65 GLY H 1 90 THR MG 0.000 . 6.500 4.088 3.224 5.237 . 0 0 "[ . 1 . 2]" 1
436 1 66 SER H 1 89 SER HA 0.000 . 6.000 4.347 3.776 5.305 . 0 0 "[ . 1 . 2]" 1
437 1 66 SER H 1 90 THR HA 0.000 . 6.000 4.853 4.327 5.511 . 0 0 "[ . 1 . 2]" 1
438 1 66 SER H 1 90 THR MG 0.000 . 5.000 4.023 3.331 4.291 . 0 0 "[ . 1 . 2]" 1
439 1 66 SER H 1 90 THR H 0.000 . 3.500 3.004 2.508 3.554 0.054 1 0 "[ . 1 . 2]" 1
440 1 67 GLU HA 1 89 SER HA 0.000 . 5.000 2.045 1.843 2.445 . 0 0 "[ . 1 . 2]" 1
441 1 67 GLU HA 1 89 SER QB 0.000 . 6.000 3.800 2.966 4.261 . 0 0 "[ . 1 . 2]" 1
442 1 67 GLU HA 1 89 SER H 0.000 . 5.000 4.090 3.509 4.423 . 0 0 "[ . 1 . 2]" 1
443 1 67 GLU HA 1 90 THR H 0.000 . 6.000 3.290 3.033 3.637 . 0 0 "[ . 1 . 2]" 1
444 1 67 GLU QG 1 87 THR HB 0.000 . 4.300 3.921 3.867 3.979 . 0 0 "[ . 1 . 2]" 1
445 1 67 GLU QG 1 87 THR MG 0.000 . 5.200 2.016 1.686 3.682 . 0 0 "[ . 1 . 2]" 1
446 1 67 GLU QG 1 88 GLN H 0.000 . 7.000 3.092 2.232 4.030 . 0 0 "[ . 1 . 2]" 1
447 1 67 GLU QG 1 89 SER HA 0.000 . 7.000 3.606 3.174 4.448 . 0 0 "[ . 1 . 2]" 1
448 1 67 GLU QG 1 90 THR H 0.000 . 7.000 5.139 4.891 5.624 . 0 0 "[ . 1 . 2]" 1
449 1 67 GLU H 1 89 SER HA 0.000 . 6.000 3.883 2.534 4.384 . 0 0 "[ . 1 . 2]" 1
450 1 68 TYR QD 1 90 THR H 0.000 . 7.000 4.875 3.552 5.860 . 0 0 "[ . 1 . 2]" 1
451 1 68 TYR H 1 87 THR MG 0.000 . 7.500 4.319 3.209 6.181 . 0 0 "[ . 1 . 2]" 1
452 1 68 TYR H 1 89 SER HA 0.000 . 3.500 3.365 2.859 3.562 0.062 19 0 "[ . 1 . 2]" 1
453 1 68 TYR H 1 89 SER QB 0.000 . 7.000 5.231 4.621 5.590 . 0 0 "[ . 1 . 2]" 1
454 1 68 TYR H 1 90 THR H 0.000 . 3.500 3.197 2.815 3.550 0.050 4 0 "[ . 1 . 2]" 1
455 1 69 THR HA 1 87 THR HA 0.000 . 5.000 2.285 1.830 3.046 . 0 0 "[ . 1 . 2]" 1
456 1 70 VAL HB 1 86 GLY H 0.000 . 5.000 3.630 3.036 3.993 . 0 0 "[ . 1 . 2]" 1
457 1 70 VAL QG 1 86 GLY H 0.000 . 5.900 4.072 3.670 4.309 . 0 0 "[ . 1 . 2]" 1
458 1 70 VAL H 1 85 ILE MG 0.000 . 6.500 4.279 3.746 5.166 . 0 0 "[ . 1 . 2]" 1
459 1 70 VAL H 1 86 GLY H 0.000 . 5.000 3.248 2.874 3.839 . 0 0 "[ . 1 . 2]" 1
460 1 70 VAL H 1 87 THR HA 0.000 . 3.500 2.928 2.421 3.456 . 0 0 "[ . 1 . 2]" 1
461 1 71 SER HA 1 84 LEU H 0.000 . 5.000 4.768 3.986 5.074 0.074 4 0 "[ . 1 . 2]" 1
462 1 71 SER HA 1 85 ILE MD 0.000 . 6.500 3.002 2.273 5.072 . 0 0 "[ . 1 . 2]" 1
463 1 71 SER HA 1 85 ILE QG 0.000 . 7.000 3.971 3.416 4.481 . 0 0 "[ . 1 . 2]" 1
464 1 71 SER QB 1 85 ILE MG 0.000 . 8.500 4.933 4.254 5.467 . 0 0 "[ . 1 . 2]" 1
465 1 72 VAL HB 1 84 LEU MD2 0.000 . 4.800 2.759 1.843 3.301 . 0 0 "[ . 1 . 2]" 1
466 1 72 VAL MG1 1 84 LEU QB 0.000 . 5.800 3.013 2.416 3.536 . 0 0 "[ . 1 . 2]" 1
467 1 72 VAL MG2 1 84 LEU QB 0.000 . 8.500 3.677 3.336 4.095 . 0 0 "[ . 1 . 2]" 1
468 1 72 VAL MG2 1 84 LEU MD2 0.000 . 9.000 3.282 2.508 3.994 . 0 0 "[ . 1 . 2]" 1
469 1 72 VAL H 1 83 PRO HA 0.000 . 6.000 4.912 4.151 5.613 . 0 0 "[ . 1 . 2]" 1
470 1 72 VAL H 1 84 LEU QB 0.000 . 7.000 3.053 2.133 3.661 . 0 0 "[ . 1 . 2]" 1
471 1 72 VAL H 1 84 LEU MD2 0.000 . 6.500 4.218 3.334 4.764 . 0 0 "[ . 1 . 2]" 1
472 1 72 VAL H 1 84 LEU H 0.000 . 5.000 3.512 2.640 4.296 . 0 0 "[ . 1 . 2]" 1
473 1 72 VAL H 1 85 ILE QG 0.000 . 6.000 5.124 4.907 5.186 . 0 0 "[ . 1 . 2]" 1
474 1 73 VAL HA 1 81 SER H 0.000 . 6.000 5.743 5.118 6.040 0.040 4 0 "[ . 1 . 2]" 1
475 1 73 VAL HA 1 83 PRO QB 0.000 . 6.000 4.280 3.151 4.683 . 0 0 "[ . 1 . 2]" 1
476 1 73 VAL MG1 1 80 GLU HA 0.000 . 4.800 3.181 2.753 3.653 . 0 0 "[ . 1 . 2]" 1
477 1 73 VAL MG1 1 80 GLU QG 0.000 . 7.500 3.656 2.582 4.705 . 0 0 "[ . 1 . 2]" 1
478 1 73 VAL MG1 1 81 SER H 0.000 . 4.400 3.502 3.212 3.693 . 0 0 "[ . 1 . 2]" 1
479 1 73 VAL MG2 1 81 SER H 0.000 . 7.500 5.884 5.627 6.164 . 0 0 "[ . 1 . 2]" 1
480 1 73 VAL MG2 1 83 PRO HA 0.000 . 4.200 1.907 1.704 2.680 . 0 0 "[ . 1 . 2]" 1
481 1 73 VAL MG2 1 84 LEU H 0.000 . 5.000 2.886 2.101 3.609 . 0 0 "[ . 1 . 2]" 1
482 1 74 ALA MB 1 81 SER H 0.000 . 6.500 4.315 2.910 4.931 . 0 0 "[ . 1 . 2]" 1
483 1 74 ALA H 1 81 SER H 0.000 . 5.000 4.598 3.012 5.076 0.076 18 0 "[ . 1 . 2]" 1
484 1 74 ALA H 1 83 PRO HA 0.000 . 5.000 4.680 3.855 4.983 . 0 0 "[ . 1 . 2]" 1
485 1 74 ALA H 1 83 PRO QB 0.000 . 7.000 5.962 4.919 6.260 . 0 0 "[ . 1 . 2]" 1
486 1 74 ALA H 1 84 LEU H 0.000 . 6.000 5.081 4.485 5.507 . 0 0 "[ . 1 . 2]" 1
487 1 75 LEU MD2 1 81 SER H 0.000 . 5.000 3.917 3.632 4.126 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 419
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 162.964
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0414
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.352 0.109 4 0 "[ . 1 . 2]"
1 2 ILE 0.446 0.109 4 0 "[ . 1 . 2]"
1 3 ASP 0.402 0.074 13 0 "[ . 1 . 2]"
1 4 ARG 0.496 0.074 13 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.026 0.026 18 0 "[ . 1 . 2]"
1 12 ASP 0.026 0.026 18 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.131 0.031 14 0 "[ . 1 . 2]"
1 16 ASP 0.131 0.031 14 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.156 0.048 18 0 "[ . 1 . 2]"
1 21 ALA 0.156 0.048 18 0 "[ . 1 . 2]"
1 22 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.388 0.188 1 0 "[ . 1 . 2]"
1 26 GLN 1.100 0.188 1 0 "[ . 1 . 2]"
1 27 GLY 0.960 0.075 20 0 "[ . 1 . 2]"
1 28 GLN 0.341 0.197 10 0 "[ . 1 . 2]"
1 29 VAL 0.197 0.197 10 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.252 0.065 16 0 "[ . 1 . 2]"
1 36 TYR 0.252 0.065 16 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.292 0.081 14 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.047 0.037 9 0 "[ . 1 . 2]"
1 41 ASP 0.886 0.081 14 0 "[ . 1 . 2]"
1 42 GLY 0.702 0.064 4 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.053 0.039 16 0 "[ . 1 . 2]"
1 45 GLU 0.053 0.039 16 0 "[ . 1 . 2]"
1 46 LEU 0.013 0.013 17 0 "[ . 1 . 2]"
1 47 PHE 0.350 0.087 5 0 "[ . 1 . 2]"
1 48 PRO 0.337 0.087 5 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PRO 0.380 0.081 13 0 "[ . 1 . 2]"
1 51 ASP 0.380 0.081 13 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.428 0.082 11 0 "[ . 1 . 2]"
1 54 GLU 0.927 0.121 11 0 "[ . 1 . 2]"
1 55 ASP 0.052 0.052 18 0 "[ . 1 . 2]"
1 56 THR 0.552 0.121 11 0 "[ . 1 . 2]"
1 57 ALA 0.001 0.001 15 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PRO 0.119 0.069 3 0 "[ . 1 . 2]"
1 65 GLY 0.795 0.077 1 0 "[ . 1 . 2]"
1 66 SER 1.028 0.077 1 0 "[ . 1 . 2]"
1 67 GLU 0.114 0.061 14 0 "[ . 1 . 2]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 HIS 0.108 0.044 4 0 "[ . 1 . 2]"
1 77 ASP 0.108 0.044 4 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 MET 0.071 0.041 12 0 "[ . 1 . 2]"
1 80 GLU 0.209 0.138 18 0 "[ . 1 . 2]"
1 81 SER 0.138 0.138 18 0 "[ . 1 . 2]"
1 82 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.051 0.034 14 0 "[ . 1 . 2]"
1 87 THR 0.051 0.034 14 0 "[ . 1 . 2]"
1 88 GLN 0.053 0.029 2 0 "[ . 1 . 2]"
1 89 SER 0.053 0.029 2 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.910 0.170 4 0 "[ . 1 . 2]"
1 92 ILE 0.910 0.170 4 0 "[ . 1 . 2]"
1 93 PRO 0.158 0.141 16 0 "[ . 1 . 2]"
1 94 ALA 0.158 0.141 16 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 ASN HA 1 2 ILE H 0.000 . 2.700 2.448 2.213 2.809 0.109 4 0 "[ . 1 . 2]" 2
2 1 1 ASN QB 1 2 ILE H 0.000 . 4.300 3.199 2.161 4.023 . 0 0 "[ . 1 . 2]" 2
3 1 1 ASN HD22 1 2 ILE H 0.000 . 5.000 4.474 3.420 5.041 0.041 20 0 "[ . 1 . 2]" 2
4 1 2 ILE HA 1 3 ASP HA 0.000 . 6.000 4.474 4.387 4.611 . 0 0 "[ . 1 . 2]" 2
5 1 2 ILE HA 1 3 ASP QB 0.000 . 6.000 4.049 3.691 4.537 . 0 0 "[ . 1 . 2]" 2
6 1 2 ILE HA 1 3 ASP H 0.000 . 2.700 2.522 2.229 2.642 . 0 0 "[ . 1 . 2]" 2
7 1 2 ILE HB 1 3 ASP H 0.000 . 5.000 3.957 3.821 4.511 . 0 0 "[ . 1 . 2]" 2
8 1 2 ILE MD 1 3 ASP H 0.000 . 4.800 3.564 1.827 4.112 . 0 0 "[ . 1 . 2]" 2
9 1 2 ILE QG 1 3 ASP H 0.000 . 6.000 2.200 1.757 4.670 . 0 0 "[ . 1 . 2]" 2
10 1 2 ILE MG 1 3 ASP QB 0.000 . 5.800 4.198 4.008 4.314 . 0 0 "[ . 1 . 2]" 2
11 1 2 ILE MG 1 3 ASP H 0.000 . 4.200 2.944 2.279 3.401 . 0 0 "[ . 1 . 2]" 2
12 1 3 ASP HA 1 4 ARG H 0.000 . 3.500 3.389 2.395 3.574 0.074 13 0 "[ . 1 . 2]" 2
13 1 3 ASP QB 1 4 ARG H 0.000 . 3.900 3.008 1.900 3.878 . 0 0 "[ . 1 . 2]" 2
14 1 3 ASP H 1 4 ARG HE 0.000 . 6.000 5.455 3.885 6.025 0.025 20 0 "[ . 1 . 2]" 2
15 1 3 ASP H 1 4 ARG H 0.000 . 5.000 2.371 1.845 3.159 . 0 0 "[ . 1 . 2]" 2
16 1 4 ARG HA 1 5 PRO QD 0.000 . 4.300 1.925 1.805 2.163 . 0 0 "[ . 1 . 2]" 2
17 1 4 ARG QB 1 5 PRO QD 0.000 . 4.700 3.281 2.667 3.802 . 0 0 "[ . 1 . 2]" 2
18 1 4 ARG H 1 5 PRO QG 0.000 . 6.000 5.251 4.245 5.642 . 0 0 "[ . 1 . 2]" 2
19 1 5 PRO HA 1 6 LYS H 0.000 . 2.900 2.615 2.436 2.838 . 0 0 "[ . 1 . 2]" 2
20 1 5 PRO QG 1 6 LYS H 0.000 . 4.500 3.936 3.539 4.114 . 0 0 "[ . 1 . 2]" 2
21 1 6 LYS QB 1 7 GLY QA 0.000 . 8.000 3.836 3.478 4.444 . 0 0 "[ . 1 . 2]" 2
22 1 6 LYS QB 1 7 GLY H 0.000 . 3.900 2.972 1.845 3.574 . 0 0 "[ . 1 . 2]" 2
23 1 6 LYS QG 1 7 GLY H 0.000 . 4.500 3.364 1.843 4.122 . 0 0 "[ . 1 . 2]" 2
24 1 6 LYS H 1 7 GLY H 0.000 . 6.000 3.503 1.803 4.408 . 0 0 "[ . 1 . 2]" 2
25 1 7 GLY QA 1 8 LEU H 0.000 . 4.500 2.432 2.163 2.781 . 0 0 "[ . 1 . 2]" 2
26 1 7 GLY H 1 8 LEU H 0.000 . 5.000 3.173 2.301 4.410 . 0 0 "[ . 1 . 2]" 2
27 1 8 LEU HA 1 9 ALA H 0.000 . 2.900 2.398 2.221 2.708 . 0 0 "[ . 1 . 2]" 2
28 1 8 LEU QB 1 9 ALA H 0.000 . 6.000 3.082 2.552 3.790 . 0 0 "[ . 1 . 2]" 2
29 1 8 LEU MD1 1 9 ALA HA 0.000 . 7.500 3.193 2.837 3.554 . 0 0 "[ . 1 . 2]" 2
30 1 8 LEU MD1 1 9 ALA H 0.000 . 4.200 2.293 1.751 2.976 . 0 0 "[ . 1 . 2]" 2
31 1 8 LEU MD2 1 9 ALA H 0.000 . 7.500 4.545 3.991 4.889 . 0 0 "[ . 1 . 2]" 2
32 1 8 LEU HG 1 9 ALA H 0.000 . 5.000 3.624 2.907 4.011 . 0 0 "[ . 1 . 2]" 2
33 1 8 LEU H 1 9 ALA H 0.000 . 5.000 4.643 4.495 4.719 . 0 0 "[ . 1 . 2]" 2
34 1 9 ALA HA 1 10 PHE QB 0.000 . 7.000 4.219 4.079 4.400 . 0 0 "[ . 1 . 2]" 2
35 1 9 ALA HA 1 10 PHE QD 0.000 . 8.000 3.401 2.533 4.372 . 0 0 "[ . 1 . 2]" 2
36 1 9 ALA HA 1 10 PHE H 0.000 . 2.700 2.462 2.281 2.665 . 0 0 "[ . 1 . 2]" 2
37 1 9 ALA MB 1 10 PHE QB 0.000 . 8.500 4.390 4.218 4.571 . 0 0 "[ . 1 . 2]" 2
38 1 9 ALA MB 1 10 PHE QD 0.000 . 9.500 4.460 3.710 4.956 . 0 0 "[ . 1 . 2]" 2
39 1 9 ALA MB 1 10 PHE H 0.000 . 4.200 2.539 2.190 2.994 . 0 0 "[ . 1 . 2]" 2
40 1 9 ALA H 1 10 PHE H 0.000 . 6.000 4.496 4.394 4.582 . 0 0 "[ . 1 . 2]" 2
41 1 10 PHE HA 1 11 THR H 0.000 . 2.900 2.250 2.207 2.402 . 0 0 "[ . 1 . 2]" 2
42 1 10 PHE QB 1 11 THR H 0.000 . 6.000 3.260 2.652 3.721 . 0 0 "[ . 1 . 2]" 2
43 1 10 PHE QD 1 11 THR H 0.000 . 7.000 3.936 3.490 4.761 . 0 0 "[ . 1 . 2]" 2
44 1 11 THR HA 1 12 ASP H 0.000 . 5.000 3.579 3.550 3.595 . 0 0 "[ . 1 . 2]" 2
45 1 11 THR HB 1 12 ASP H 0.000 . 2.900 2.297 1.865 2.722 . 0 0 "[ . 1 . 2]" 2
46 1 11 THR MG 1 12 ASP H 0.000 . 5.000 2.978 2.085 3.894 . 0 0 "[ . 1 . 2]" 2
47 1 11 THR H 1 12 ASP H 0.000 . 2.900 2.507 2.003 2.926 0.026 18 0 "[ . 1 . 2]" 2
48 1 12 ASP HA 1 13 VAL H 0.000 . 2.900 2.235 2.204 2.310 . 0 0 "[ . 1 . 2]" 2
49 1 12 ASP QB 1 13 VAL H 0.000 . 4.500 3.671 3.039 3.956 . 0 0 "[ . 1 . 2]" 2
50 1 12 ASP H 1 13 VAL H 0.000 . 5.000 4.155 3.510 4.431 . 0 0 "[ . 1 . 2]" 2
51 1 13 VAL HA 1 14 ASP H 0.000 . 2.700 2.282 2.193 2.466 . 0 0 "[ . 1 . 2]" 2
52 1 13 VAL HB 1 14 ASP H 0.000 . 5.000 4.297 4.021 4.677 . 0 0 "[ . 1 . 2]" 2
53 1 13 VAL MG1 1 14 ASP H 0.000 . 5.000 3.815 3.260 4.093 . 0 0 "[ . 1 . 2]" 2
54 1 13 VAL MG2 1 14 ASP H 0.000 . 4.800 2.572 1.830 3.685 . 0 0 "[ . 1 . 2]" 2
55 1 13 VAL H 1 14 ASP H 0.000 . 5.000 4.440 3.694 4.616 . 0 0 "[ . 1 . 2]" 2
56 1 14 ASP HA 1 15 VAL MG1 0.000 . 4.800 3.612 3.409 3.811 . 0 0 "[ . 1 . 2]" 2
57 1 14 ASP HA 1 15 VAL H 0.000 . 3.300 2.295 2.226 2.394 . 0 0 "[ . 1 . 2]" 2
58 1 14 ASP QB 1 15 VAL H 0.000 . 6.000 3.405 2.767 3.650 . 0 0 "[ . 1 . 2]" 2
59 1 14 ASP H 1 15 VAL H 0.000 . 6.000 4.406 4.204 4.653 . 0 0 "[ . 1 . 2]" 2
60 1 15 VAL HA 1 16 ASP H 0.000 . 6.000 3.533 3.513 3.559 . 0 0 "[ . 1 . 2]" 2
61 1 15 VAL HB 1 16 ASP H 0.000 . 5.000 4.037 3.854 4.175 . 0 0 "[ . 1 . 2]" 2
62 1 15 VAL MG1 1 16 ASP QB 0.000 . 5.800 2.759 2.230 3.191 . 0 0 "[ . 1 . 2]" 2
63 1 15 VAL MG1 1 16 ASP H 0.000 . 4.400 1.907 1.837 2.067 . 0 0 "[ . 1 . 2]" 2
64 1 15 VAL MG2 1 16 ASP HA 0.000 . 6.500 3.723 3.431 3.920 . 0 0 "[ . 1 . 2]" 2
65 1 15 VAL MG2 1 16 ASP QB 0.000 . 5.200 3.139 2.680 3.642 . 0 0 "[ . 1 . 2]" 2
66 1 15 VAL MG2 1 16 ASP H 0.000 . 4.200 3.390 3.207 3.506 . 0 0 "[ . 1 . 2]" 2
67 1 15 VAL H 1 16 ASP H 0.000 . 2.900 2.881 2.763 2.931 0.031 14 0 "[ . 1 . 2]" 2
68 1 16 ASP HA 1 17 SER H 0.000 . 3.500 2.930 2.727 3.194 . 0 0 "[ . 1 . 2]" 2
69 1 16 ASP QB 1 17 SER H 0.000 . 7.000 3.944 3.598 4.075 . 0 0 "[ . 1 . 2]" 2
70 1 16 ASP H 1 17 SER QB 0.000 . 7.000 3.595 3.182 4.606 . 0 0 "[ . 1 . 2]" 2
71 1 16 ASP H 1 17 SER H 0.000 . 2.900 2.607 2.268 2.885 . 0 0 "[ . 1 . 2]" 2
72 1 17 SER HA 1 18 ILE H 0.000 . 2.900 2.239 2.198 2.430 . 0 0 "[ . 1 . 2]" 2
73 1 17 SER QB 1 18 ILE H 0.000 . 4.500 3.748 3.251 4.078 . 0 0 "[ . 1 . 2]" 2
74 1 17 SER H 1 18 ILE MD 0.000 . 4.800 3.587 2.307 3.988 . 0 0 "[ . 1 . 2]" 2
75 1 17 SER H 1 18 ILE H 0.000 . 5.000 3.836 3.006 4.282 . 0 0 "[ . 1 . 2]" 2
76 1 18 ILE HA 1 19 LYS H 0.000 . 2.900 2.224 2.194 2.307 . 0 0 "[ . 1 . 2]" 2
77 1 18 ILE HB 1 19 LYS H 0.000 . 5.000 4.319 4.066 4.475 . 0 0 "[ . 1 . 2]" 2
78 1 18 ILE MG 1 19 LYS H 0.000 . 4.200 2.901 2.230 3.373 . 0 0 "[ . 1 . 2]" 2
79 1 19 LYS HA 1 20 ILE QG 0.000 . 7.000 3.987 3.838 4.428 . 0 0 "[ . 1 . 2]" 2
80 1 19 LYS HA 1 20 ILE H 0.000 . 2.900 2.249 2.222 2.340 . 0 0 "[ . 1 . 2]" 2
81 1 19 LYS H 1 20 ILE MG 0.000 . 4.800 3.734 3.290 3.922 . 0 0 "[ . 1 . 2]" 2
82 1 20 ILE HA 1 21 ALA MB 0.000 . 7.500 3.802 3.711 3.846 . 0 0 "[ . 1 . 2]" 2
83 1 20 ILE HA 1 21 ALA H 0.000 . 2.900 2.325 2.268 2.394 . 0 0 "[ . 1 . 2]" 2
84 1 20 ILE HB 1 21 ALA H 0.000 . 2.900 2.877 2.728 2.948 0.048 18 0 "[ . 1 . 2]" 2
85 1 20 ILE QG 1 21 ALA H 0.000 . 4.500 3.663 3.300 4.059 . 0 0 "[ . 1 . 2]" 2
86 1 21 ALA HA 1 22 TRP H 0.000 . 2.900 2.231 2.212 2.266 . 0 0 "[ . 1 . 2]" 2
87 1 21 ALA MB 1 22 TRP H 0.000 . 4.200 3.306 3.088 3.548 . 0 0 "[ . 1 . 2]" 2
88 1 21 ALA H 1 22 TRP H 0.000 . 6.000 4.228 3.977 4.434 . 0 0 "[ . 1 . 2]" 2
89 1 22 TRP HA 1 23 GLU QB 0.000 . 7.000 4.120 3.921 4.272 . 0 0 "[ . 1 . 2]" 2
90 1 22 TRP HA 1 23 GLU H 0.000 . 2.900 2.366 2.255 2.695 . 0 0 "[ . 1 . 2]" 2
91 1 22 TRP QB 1 23 GLU H 0.000 . 4.500 2.734 2.075 3.027 . 0 0 "[ . 1 . 2]" 2
92 1 22 TRP HD1 1 23 GLU H 0.000 . 6.000 3.843 2.847 4.259 . 0 0 "[ . 1 . 2]" 2
93 1 23 GLU HA 1 24 SER H 0.000 . 2.700 2.258 2.206 2.558 . 0 0 "[ . 1 . 2]" 2
94 1 23 GLU QB 1 24 SER H 0.000 . 7.000 3.688 3.179 3.972 . 0 0 "[ . 1 . 2]" 2
95 1 23 GLU QG 1 24 SER H 0.000 . 4.500 2.987 2.270 4.143 . 0 0 "[ . 1 . 2]" 2
96 1 25 PRO HA 1 26 GLN HA 0.000 . 6.000 4.528 4.413 4.984 . 0 0 "[ . 1 . 2]" 2
97 1 25 PRO HA 1 26 GLN QG 0.000 . 4.300 3.563 2.883 3.990 . 0 0 "[ . 1 . 2]" 2
98 1 25 PRO HA 1 26 GLN H 0.000 . 2.700 2.556 2.218 2.888 0.188 1 0 "[ . 1 . 2]" 2
99 1 25 PRO QB 1 26 GLN H 0.000 . 4.500 2.549 1.930 3.974 . 0 0 "[ . 1 . 2]" 2
100 1 26 GLN HA 1 27 GLY QA 0.000 . 7.000 4.352 4.174 4.526 . 0 0 "[ . 1 . 2]" 2
101 1 26 GLN HA 1 27 GLY H 0.000 . 3.500 3.469 3.051 3.575 0.075 20 0 "[ . 1 . 2]" 2
102 1 26 GLN QB 1 27 GLY H 0.000 . 3.900 2.716 1.909 3.681 . 0 0 "[ . 1 . 2]" 2
103 1 26 GLN QG 1 27 GLY QA 0.000 . 8.000 5.194 3.780 5.432 . 0 0 "[ . 1 . 2]" 2
104 1 26 GLN QG 1 27 GLY H 0.000 . 6.000 3.995 1.864 4.514 . 0 0 "[ . 1 . 2]" 2
105 1 26 GLN H 1 27 GLY H 0.000 . 3.500 2.253 1.820 3.038 . 0 0 "[ . 1 . 2]" 2
106 1 27 GLY QA 1 28 GLN H 0.000 . 3.900 2.480 2.178 2.917 . 0 0 "[ . 1 . 2]" 2
107 1 27 GLY H 1 28 GLN H 0.000 . 3.500 3.091 2.061 3.551 0.051 10 0 "[ . 1 . 2]" 2
108 1 28 GLN HA 1 29 VAL H 0.000 . 2.700 2.320 2.193 2.897 0.197 10 0 "[ . 1 . 2]" 2
109 1 28 GLN QB 1 29 VAL H 0.000 . 4.500 3.819 1.892 4.061 . 0 0 "[ . 1 . 2]" 2
110 1 28 GLN QG 1 29 VAL H 0.000 . 4.300 3.571 2.204 4.014 . 0 0 "[ . 1 . 2]" 2
111 1 29 VAL HA 1 30 SER H 0.000 . 2.900 2.313 2.204 2.758 . 0 0 "[ . 1 . 2]" 2
112 1 29 VAL HB 1 30 SER H 0.000 . 6.000 4.283 3.799 4.573 . 0 0 "[ . 1 . 2]" 2
113 1 29 VAL MG1 1 30 SER HA 0.000 . 7.500 3.806 3.411 4.073 . 0 0 "[ . 1 . 2]" 2
114 1 29 VAL MG1 1 30 SER H 0.000 . 4.800 2.805 1.930 3.463 . 0 0 "[ . 1 . 2]" 2
115 1 29 VAL MG2 1 30 SER H 0.000 . 6.500 3.211 1.897 4.053 . 0 0 "[ . 1 . 2]" 2
116 1 30 SER HA 1 31 ARG H 0.000 . 6.000 3.476 3.335 3.588 . 0 0 "[ . 1 . 2]" 2
117 1 30 SER QB 1 31 ARG QG 0.000 . 8.000 4.810 3.752 5.352 . 0 0 "[ . 1 . 2]" 2
118 1 30 SER QB 1 31 ARG H 0.000 . 3.900 2.846 2.004 3.299 . 0 0 "[ . 1 . 2]" 2
119 1 30 SER H 1 31 ARG H 0.000 . 2.900 2.289 1.974 2.529 . 0 0 "[ . 1 . 2]" 2
120 1 31 ARG HA 1 32 TYR H 0.000 . 2.900 2.372 2.220 2.617 . 0 0 "[ . 1 . 2]" 2
121 1 31 ARG QB 1 32 TYR H 0.000 . 3.900 3.115 2.465 3.554 . 0 0 "[ . 1 . 2]" 2
122 1 31 ARG QD 1 32 TYR H 0.000 . 7.000 4.464 3.030 5.213 . 0 0 "[ . 1 . 2]" 2
123 1 31 ARG QG 1 32 TYR H 0.000 . 6.000 2.720 1.956 3.349 . 0 0 "[ . 1 . 2]" 2
124 1 32 TYR HA 1 33 ARG H 0.000 . 2.900 2.248 2.195 2.363 . 0 0 "[ . 1 . 2]" 2
125 1 32 TYR QB 1 33 ARG H 0.000 . 4.500 3.605 2.765 3.933 . 0 0 "[ . 1 . 2]" 2
126 1 32 TYR QD 1 33 ARG H 0.000 . 7.000 3.706 2.715 4.630 . 0 0 "[ . 1 . 2]" 2
127 1 33 ARG HA 1 34 VAL H 0.000 . 2.900 2.244 2.190 2.354 . 0 0 "[ . 1 . 2]" 2
128 1 33 ARG QG 1 34 VAL H 0.000 . 4.500 3.283 2.492 3.964 . 0 0 "[ . 1 . 2]" 2
129 1 34 VAL HA 1 35 THR H 0.000 . 2.900 2.281 2.191 2.337 . 0 0 "[ . 1 . 2]" 2
130 1 34 VAL HB 1 35 THR H 0.000 . 5.000 4.413 3.993 4.591 . 0 0 "[ . 1 . 2]" 2
131 1 34 VAL MG1 1 35 THR H 0.000 . 4.400 3.239 2.615 3.557 . 0 0 "[ . 1 . 2]" 2
132 1 34 VAL MG2 1 35 THR H 0.000 . 6.500 4.241 4.055 4.346 . 0 0 "[ . 1 . 2]" 2
133 1 34 VAL H 1 35 THR H 0.000 . 6.000 4.177 3.887 4.535 . 0 0 "[ . 1 . 2]" 2
134 1 35 THR HA 1 36 TYR H 0.000 . 2.900 2.261 2.215 2.321 . 0 0 "[ . 1 . 2]" 2
135 1 35 THR HB 1 36 TYR H 0.000 . 3.300 3.208 2.881 3.365 0.065 16 0 "[ . 1 . 2]" 2
136 1 35 THR MG 1 36 TYR H 0.000 . 4.200 3.285 2.967 3.474 . 0 0 "[ . 1 . 2]" 2
137 1 35 THR H 1 36 TYR QD 0.000 . 7.000 4.120 3.423 5.319 . 0 0 "[ . 1 . 2]" 2
138 1 36 TYR HA 1 37 SER H 0.000 . 3.300 2.270 2.183 2.387 . 0 0 "[ . 1 . 2]" 2
139 1 36 TYR QB 1 37 SER H 0.000 . 4.500 3.116 2.740 3.607 . 0 0 "[ . 1 . 2]" 2
140 1 36 TYR QD 1 37 SER H 0.000 . 7.000 4.626 3.869 5.013 . 0 0 "[ . 1 . 2]" 2
141 1 37 SER HA 1 38 SER H 0.000 . 2.900 2.399 2.244 2.715 . 0 0 "[ . 1 . 2]" 2
142 1 37 SER QB 1 38 SER H 0.000 . 3.900 2.693 2.075 3.052 . 0 0 "[ . 1 . 2]" 2
143 1 39 PRO HA 1 40 GLU QG 0.000 . 6.000 4.712 3.869 5.057 . 0 0 "[ . 1 . 2]" 2
144 1 39 PRO HA 1 40 GLU H 0.000 . 5.000 2.790 2.622 3.120 . 0 0 "[ . 1 . 2]" 2
145 1 39 PRO QB 1 40 GLU H 0.000 . 4.500 4.014 3.949 4.040 . 0 0 "[ . 1 . 2]" 2
146 1 40 GLU HA 1 41 ASP H 0.000 . 5.000 3.581 3.533 3.599 . 0 0 "[ . 1 . 2]" 2
147 1 40 GLU QB 1 41 ASP H 0.000 . 6.000 2.317 1.833 3.283 . 0 0 "[ . 1 . 2]" 2
148 1 40 GLU QG 1 41 ASP H 0.000 . 7.000 3.737 1.754 4.272 . 0 0 "[ . 1 . 2]" 2
149 1 40 GLU H 1 41 ASP HA 0.000 . 5.000 4.785 4.521 5.010 0.010 9 0 "[ . 1 . 2]" 2
150 1 40 GLU H 1 41 ASP QB 0.000 . 6.000 4.176 3.930 4.486 . 0 0 "[ . 1 . 2]" 2
151 1 40 GLU H 1 41 ASP H 0.000 . 2.900 2.651 2.156 2.937 0.037 9 0 "[ . 1 . 2]" 2
152 1 41 ASP HA 1 42 GLY QA 0.000 . 7.000 4.258 4.233 4.281 . 0 0 "[ . 1 . 2]" 2
153 1 41 ASP HA 1 42 GLY H 0.000 . 3.500 3.520 3.378 3.564 0.064 4 0 "[ . 1 . 2]" 2
154 1 41 ASP QB 1 42 GLY H 0.000 . 7.000 2.684 2.317 3.202 . 0 0 "[ . 1 . 2]" 2
155 1 41 ASP H 1 42 GLY QA 0.000 . 6.000 4.477 4.196 4.712 . 0 0 "[ . 1 . 2]" 2
156 1 41 ASP H 1 42 GLY H 0.000 . 2.900 2.536 2.119 2.893 . 0 0 "[ . 1 . 2]" 2
157 1 42 GLY QA 1 43 ILE HB 0.000 . 7.000 3.922 3.752 4.099 . 0 0 "[ . 1 . 2]" 2
158 1 42 GLY QA 1 43 ILE MD 0.000 . 8.500 5.282 5.078 5.453 . 0 0 "[ . 1 . 2]" 2
159 1 42 GLY QA 1 43 ILE H 0.000 . 3.900 2.236 2.165 2.327 . 0 0 "[ . 1 . 2]" 2
160 1 43 ILE HA 1 44 HIS H 0.000 . 2.900 2.353 2.286 2.442 . 0 0 "[ . 1 . 2]" 2
161 1 43 ILE HB 1 44 HIS H 0.000 . 6.000 4.039 3.854 4.195 . 0 0 "[ . 1 . 2]" 2
162 1 43 ILE MD 1 44 HIS H 0.000 . 4.800 3.815 3.577 4.081 . 0 0 "[ . 1 . 2]" 2
163 1 43 ILE QG 1 44 HIS QB 0.000 . 5.300 4.019 3.810 4.215 . 0 0 "[ . 1 . 2]" 2
164 1 43 ILE QG 1 44 HIS H 0.000 . 4.500 2.066 1.818 2.360 . 0 0 "[ . 1 . 2]" 2
165 1 43 ILE MG 1 44 HIS H 0.000 . 4.200 3.396 3.278 3.486 . 0 0 "[ . 1 . 2]" 2
166 1 43 ILE H 1 44 HIS H 0.000 . 6.000 4.513 4.425 4.615 . 0 0 "[ . 1 . 2]" 2
167 1 44 HIS HA 1 45 GLU H 0.000 . 2.700 2.522 2.278 2.739 0.039 16 0 "[ . 1 . 2]" 2
168 1 44 HIS QB 1 45 GLU H 0.000 . 4.500 2.813 2.210 3.731 . 0 0 "[ . 1 . 2]" 2
169 1 45 GLU HA 1 46 LEU H 0.000 . 2.900 2.267 2.175 2.551 . 0 0 "[ . 1 . 2]" 2
170 1 46 LEU HA 1 47 PHE H 0.000 . 2.900 2.268 2.198 2.442 . 0 0 "[ . 1 . 2]" 2
171 1 46 LEU QB 1 47 PHE H 0.000 . 6.000 3.715 3.381 3.978 . 0 0 "[ . 1 . 2]" 2
172 1 46 LEU MD1 1 47 PHE H 0.000 . 4.200 3.264 2.727 3.611 . 0 0 "[ . 1 . 2]" 2
173 1 46 LEU MD2 1 47 PHE H 0.000 . 6.500 4.367 2.779 4.891 . 0 0 "[ . 1 . 2]" 2
174 1 46 LEU HG 1 47 PHE H 0.000 . 3.500 2.877 1.842 3.513 0.013 17 0 "[ . 1 . 2]" 2
175 1 46 LEU H 1 47 PHE H 0.000 . 5.000 4.408 4.043 4.685 . 0 0 "[ . 1 . 2]" 2
176 1 47 PHE HA 1 48 PRO HA 0.000 . 5.000 4.709 4.559 4.845 . 0 0 "[ . 1 . 2]" 2
177 1 47 PHE QB 1 48 PRO HA 0.000 . 6.000 4.488 3.805 5.083 . 0 0 "[ . 1 . 2]" 2
178 1 47 PHE QD 1 48 PRO HA 0.000 . 7.000 4.861 3.492 5.997 . 0 0 "[ . 1 . 2]" 2
179 1 47 PHE QD 1 48 PRO QD 0.000 . 9.000 4.031 3.228 4.446 . 0 0 "[ . 1 . 2]" 2
180 1 47 PHE H 1 48 PRO HA 0.000 . 5.000 4.618 4.223 5.087 0.087 5 0 "[ . 1 . 2]" 2
181 1 48 PRO HA 1 49 ALA HA 0.000 . 5.000 4.660 4.500 4.918 . 0 0 "[ . 1 . 2]" 2
182 1 48 PRO HA 1 49 ALA MB 0.000 . 4.800 3.969 3.863 4.070 . 0 0 "[ . 1 . 2]" 2
183 1 48 PRO HA 1 49 ALA H 0.000 . 2.700 2.388 2.201 2.692 . 0 0 "[ . 1 . 2]" 2
184 1 48 PRO QB 1 49 ALA H 0.000 . 6.000 3.856 3.619 4.003 . 0 0 "[ . 1 . 2]" 2
185 1 48 PRO QD 1 49 ALA H 0.000 . 6.000 4.416 3.829 4.799 . 0 0 "[ . 1 . 2]" 2
186 1 49 ALA HA 1 50 PRO QD 0.000 . 7.000 1.978 1.839 2.300 . 0 0 "[ . 1 . 2]" 2
187 1 49 ALA MB 1 50 PRO QD 0.000 . 5.800 2.784 1.758 3.449 . 0 0 "[ . 1 . 2]" 2
188 1 49 ALA H 1 50 PRO QD 0.000 . 6.000 4.083 3.499 4.376 . 0 0 "[ . 1 . 2]" 2
189 1 50 PRO HA 1 51 ASP QB 0.000 . 4.300 3.908 3.602 4.042 . 0 0 "[ . 1 . 2]" 2
190 1 50 PRO HA 1 51 ASP H 0.000 . 2.700 2.595 2.182 2.781 0.081 13 0 "[ . 1 . 2]" 2
191 1 50 PRO QB 1 51 ASP HA 0.000 . 6.000 4.254 3.973 4.926 . 0 0 "[ . 1 . 2]" 2
192 1 51 ASP QB 1 52 GLY H 0.000 . 4.300 2.874 1.998 4.014 . 0 0 "[ . 1 . 2]" 2
193 1 51 ASP H 1 52 GLY H 0.000 . 5.000 2.485 1.865 4.655 . 0 0 "[ . 1 . 2]" 2
194 1 52 GLY QA 1 53 GLU H 0.000 . 6.000 2.772 2.528 2.931 . 0 0 "[ . 1 . 2]" 2
195 1 52 GLY H 1 53 GLU H 0.000 . 3.500 2.369 1.860 3.171 . 0 0 "[ . 1 . 2]" 2
196 1 53 GLU HA 1 54 GLU H 0.000 . 3.500 3.358 3.143 3.582 0.082 11 0 "[ . 1 . 2]" 2
197 1 53 GLU QB 1 54 GLU H 0.000 . 3.900 3.233 2.305 3.583 . 0 0 "[ . 1 . 2]" 2
198 1 53 GLU H 1 54 GLU HA 0.000 . 5.000 4.799 4.418 5.045 0.045 15 0 "[ . 1 . 2]" 2
199 1 53 GLU H 1 54 GLU H 0.000 . 2.900 2.233 1.824 2.612 . 0 0 "[ . 1 . 2]" 2
200 1 54 GLU HA 1 55 ASP HA 0.000 . 6.000 4.521 4.481 4.662 . 0 0 "[ . 1 . 2]" 2
201 1 54 GLU HA 1 55 ASP H 0.000 . 2.700 2.280 2.199 2.563 . 0 0 "[ . 1 . 2]" 2
202 1 54 GLU QB 1 55 ASP H 0.000 . 4.500 3.649 3.311 3.947 . 0 0 "[ . 1 . 2]" 2
203 1 55 ASP HA 1 56 THR H 0.000 . 3.500 3.173 2.973 3.386 . 0 0 "[ . 1 . 2]" 2
204 1 55 ASP QB 1 56 THR H 0.000 . 7.000 3.654 3.182 4.043 . 0 0 "[ . 1 . 2]" 2
205 1 55 ASP H 1 56 THR MG 0.000 . 6.500 3.271 2.801 4.213 . 0 0 "[ . 1 . 2]" 2
206 1 55 ASP H 1 56 THR H 0.000 . 2.900 2.377 1.866 2.952 0.052 18 0 "[ . 1 . 2]" 2
207 1 56 THR HA 1 57 ALA H 0.000 . 2.900 2.591 2.400 2.901 0.001 15 0 "[ . 1 . 2]" 2
208 1 56 THR HB 1 57 ALA MB 0.000 . 7.500 4.428 4.082 4.669 . 0 0 "[ . 1 . 2]" 2
209 1 56 THR HB 1 57 ALA H 0.000 . 2.900 2.362 1.857 2.719 . 0 0 "[ . 1 . 2]" 2
210 1 56 THR H 1 57 ALA H 0.000 . 6.000 4.462 4.294 4.563 . 0 0 "[ . 1 . 2]" 2
211 1 57 ALA HA 1 58 GLU H 0.000 . 2.700 2.295 2.190 2.409 . 0 0 "[ . 1 . 2]" 2
212 1 57 ALA MB 1 58 GLU H 0.000 . 4.200 2.881 2.570 3.275 . 0 0 "[ . 1 . 2]" 2
213 1 57 ALA H 1 58 GLU H 0.000 . 5.000 4.414 4.207 4.551 . 0 0 "[ . 1 . 2]" 2
214 1 58 GLU HA 1 59 LEU H 0.000 . 2.900 2.368 2.289 2.445 . 0 0 "[ . 1 . 2]" 2
215 1 58 GLU H 1 59 LEU H 0.000 . 6.000 3.914 3.786 4.071 . 0 0 "[ . 1 . 2]" 2
216 1 59 LEU HA 1 60 GLN H 0.000 . 2.700 2.397 2.234 2.540 . 0 0 "[ . 1 . 2]" 2
217 1 59 LEU QB 1 60 GLN H 0.000 . 4.500 3.863 3.618 3.910 . 0 0 "[ . 1 . 2]" 2
218 1 59 LEU MD2 1 60 GLN H 0.000 . 4.800 3.781 3.609 3.931 . 0 0 "[ . 1 . 2]" 2
219 1 59 LEU H 1 60 GLN QB 0.000 . 6.000 5.497 5.432 5.556 . 0 0 "[ . 1 . 2]" 2
220 1 59 LEU H 1 60 GLN H 0.000 . 6.000 3.928 3.661 4.373 . 0 0 "[ . 1 . 2]" 2
221 1 60 GLN HA 1 61 GLY H 0.000 . 2.900 2.231 2.193 2.370 . 0 0 "[ . 1 . 2]" 2
222 1 60 GLN QB 1 61 GLY H 0.000 . 3.900 3.292 2.778 3.545 . 0 0 "[ . 1 . 2]" 2
223 1 60 GLN QG 1 61 GLY H 0.000 . 6.000 4.426 4.266 4.753 . 0 0 "[ . 1 . 2]" 2
224 1 60 GLN H 1 61 GLY H 0.000 . 5.000 4.468 4.291 4.652 . 0 0 "[ . 1 . 2]" 2
225 1 61 GLY QA 1 62 LEU H 0.000 . 4.500 2.596 2.381 2.881 . 0 0 "[ . 1 . 2]" 2
226 1 61 GLY H 1 62 LEU MD1 0.000 . 7.500 4.030 3.710 4.833 . 0 0 "[ . 1 . 2]" 2
227 1 61 GLY H 1 62 LEU HG 0.000 . 5.000 2.702 2.416 3.495 . 0 0 "[ . 1 . 2]" 2
228 1 61 GLY H 1 62 LEU H 0.000 . 3.500 2.391 1.900 2.843 . 0 0 "[ . 1 . 2]" 2
229 1 62 LEU HA 1 63 ARG H 0.000 . 3.500 2.718 2.338 3.243 . 0 0 "[ . 1 . 2]" 2
230 1 62 LEU QB 1 63 ARG H 0.000 . 4.500 2.225 1.844 2.739 . 0 0 "[ . 1 . 2]" 2
231 1 62 LEU MD1 1 63 ARG H 0.000 . 6.500 4.197 3.659 4.672 . 0 0 "[ . 1 . 2]" 2
232 1 62 LEU MD2 1 63 ARG H 0.000 . 6.500 3.832 3.343 4.090 . 0 0 "[ . 1 . 2]" 2
233 1 63 ARG HA 1 64 PRO QD 0.000 . 3.700 2.305 1.841 3.499 . 0 0 "[ . 1 . 2]" 2
234 1 63 ARG QG 1 64 PRO QD 0.000 . 5.300 3.049 1.839 3.997 . 0 0 "[ . 1 . 2]" 2
235 1 64 PRO HA 1 65 GLY QA 0.000 . 7.000 3.995 3.957 4.057 . 0 0 "[ . 1 . 2]" 2
236 1 64 PRO HA 1 65 GLY H 0.000 . 2.900 2.307 2.205 2.519 . 0 0 "[ . 1 . 2]" 2
237 1 64 PRO QB 1 65 GLY H 0.000 . 6.000 3.227 2.374 3.792 . 0 0 "[ . 1 . 2]" 2
238 1 65 GLY QA 1 66 SER H 0.000 . 4.500 2.492 2.380 2.771 . 0 0 "[ . 1 . 2]" 2
239 1 65 GLY H 1 66 SER H 0.000 . 2.900 2.909 2.291 2.977 0.077 1 0 "[ . 1 . 2]" 2
240 1 66 SER HA 1 67 GLU H 0.000 . 2.700 2.351 2.210 2.761 0.061 14 0 "[ . 1 . 2]" 2
241 1 66 SER QB 1 67 GLU H 0.000 . 4.500 3.175 2.056 3.652 . 0 0 "[ . 1 . 2]" 2
242 1 66 SER H 1 67 GLU H 0.000 . 6.000 4.197 3.967 4.406 . 0 0 "[ . 1 . 2]" 2
243 1 67 GLU HA 1 68 TYR QB 0.000 . 6.000 4.120 3.984 4.213 . 0 0 "[ . 1 . 2]" 2
244 1 67 GLU HA 1 68 TYR H 0.000 . 2.900 2.308 2.186 2.375 . 0 0 "[ . 1 . 2]" 2
245 1 67 GLU QG 1 68 TYR H 0.000 . 4.500 3.505 3.032 3.730 . 0 0 "[ . 1 . 2]" 2
246 1 68 TYR HA 1 69 THR HB 0.000 . 6.000 4.946 4.491 5.574 . 0 0 "[ . 1 . 2]" 2
247 1 68 TYR HA 1 69 THR H 0.000 . 2.900 2.236 2.182 2.423 . 0 0 "[ . 1 . 2]" 2
248 1 68 TYR QB 1 69 THR H 0.000 . 7.000 3.694 3.322 3.944 . 0 0 "[ . 1 . 2]" 2
249 1 68 TYR QD 1 69 THR H 0.000 . 8.000 3.516 2.055 4.562 . 0 0 "[ . 1 . 2]" 2
250 1 69 THR HA 1 70 VAL H 0.000 . 2.900 2.310 2.210 2.454 . 0 0 "[ . 1 . 2]" 2
251 1 69 THR HB 1 70 VAL H 0.000 . 6.000 4.293 3.813 4.473 . 0 0 "[ . 1 . 2]" 2
252 1 69 THR MG 1 70 VAL H 0.000 . 4.800 3.556 2.759 3.912 . 0 0 "[ . 1 . 2]" 2
253 1 70 VAL HA 1 71 SER H 0.000 . 2.900 2.267 2.197 2.350 . 0 0 "[ . 1 . 2]" 2
254 1 70 VAL QG 1 71 SER HA 0.000 . 8.400 3.864 3.699 4.099 . 0 0 "[ . 1 . 2]" 2
255 1 71 SER HA 1 72 VAL MG2 0.000 . 7.500 3.836 3.406 4.142 . 0 0 "[ . 1 . 2]" 2
256 1 71 SER HA 1 72 VAL H 0.000 . 2.900 2.254 2.210 2.363 . 0 0 "[ . 1 . 2]" 2
257 1 71 SER QB 1 72 VAL H 0.000 . 7.000 3.625 2.784 4.067 . 0 0 "[ . 1 . 2]" 2
258 1 72 VAL HA 1 73 VAL H 0.000 . 2.900 2.233 2.209 2.269 . 0 0 "[ . 1 . 2]" 2
259 1 72 VAL MG1 1 73 VAL H 0.000 . 6.500 2.759 2.301 3.065 . 0 0 "[ . 1 . 2]" 2
260 1 72 VAL MG2 1 73 VAL H 0.000 . 7.500 4.031 3.858 4.158 . 0 0 "[ . 1 . 2]" 2
261 1 72 VAL H 1 73 VAL MG2 0.000 . 6.500 3.770 3.305 4.140 . 0 0 "[ . 1 . 2]" 2
262 1 72 VAL H 1 73 VAL H 0.000 . 6.000 4.503 4.199 4.642 . 0 0 "[ . 1 . 2]" 2
263 1 73 VAL HA 1 74 ALA MB 0.000 . 7.500 3.918 3.748 4.001 . 0 0 "[ . 1 . 2]" 2
264 1 73 VAL HA 1 74 ALA H 0.000 . 2.900 2.223 2.186 2.369 . 0 0 "[ . 1 . 2]" 2
265 1 73 VAL HB 1 74 ALA H 0.000 . 5.000 4.136 3.809 4.445 . 0 0 "[ . 1 . 2]" 2
266 1 73 VAL MG1 1 74 ALA H 0.000 . 4.200 2.638 2.119 3.038 . 0 0 "[ . 1 . 2]" 2
267 1 73 VAL MG2 1 74 ALA H 0.000 . 5.000 4.153 3.959 4.244 . 0 0 "[ . 1 . 2]" 2
268 1 74 ALA HA 1 75 LEU H 0.000 . 3.300 2.462 2.256 2.612 . 0 0 "[ . 1 . 2]" 2
269 1 74 ALA MB 1 75 LEU HA 0.000 . 7.500 4.033 3.909 4.204 . 0 0 "[ . 1 . 2]" 2
270 1 74 ALA MB 1 75 LEU H 0.000 . 5.000 2.635 2.359 3.177 . 0 0 "[ . 1 . 2]" 2
271 1 75 LEU HA 1 76 HIS H 0.000 . 2.900 2.489 2.199 2.713 . 0 0 "[ . 1 . 2]" 2
272 1 75 LEU QB 1 76 HIS H 0.000 . 3.900 2.385 1.945 3.199 . 0 0 "[ . 1 . 2]" 2
273 1 75 LEU MD2 1 76 HIS H 0.000 . 4.400 3.320 2.986 3.559 . 0 0 "[ . 1 . 2]" 2
274 1 75 LEU HG 1 76 HIS H 0.000 . 6.000 4.744 4.546 4.965 . 0 0 "[ . 1 . 2]" 2
275 1 76 HIS HA 1 77 ASP H 0.000 . 2.900 2.606 2.274 2.944 0.044 4 0 "[ . 1 . 2]" 2
276 1 76 HIS QB 1 77 ASP H 0.000 . 6.000 3.362 2.079 4.081 . 0 0 "[ . 1 . 2]" 2
277 1 77 ASP QB 1 78 ASP H 0.000 . 3.700 2.475 1.980 3.425 . 0 0 "[ . 1 . 2]" 2
278 1 79 MET HA 1 80 GLU H 0.000 . 2.700 2.457 2.250 2.741 0.041 12 0 "[ . 1 . 2]" 2
279 1 79 MET QB 1 80 GLU H 0.000 . 3.900 2.674 1.898 3.418 . 0 0 "[ . 1 . 2]" 2
280 1 79 MET QG 1 80 GLU H 0.000 . 4.300 3.226 1.846 3.999 . 0 0 "[ . 1 . 2]" 2
281 1 80 GLU HA 1 81 SER H 0.000 . 2.900 2.541 2.310 3.038 0.138 18 0 "[ . 1 . 2]" 2
282 1 80 GLU QB 1 81 SER H 0.000 . 4.500 3.906 3.624 4.039 . 0 0 "[ . 1 . 2]" 2
283 1 80 GLU QG 1 81 SER H 0.000 . 7.000 4.348 3.913 4.687 . 0 0 "[ . 1 . 2]" 2
284 1 80 GLU H 1 81 SER H 0.000 . 5.000 3.232 2.587 3.679 . 0 0 "[ . 1 . 2]" 2
285 1 81 SER HA 1 82 GLN H 0.000 . 2.900 2.347 2.235 2.601 . 0 0 "[ . 1 . 2]" 2
286 1 81 SER QB 1 82 GLN H 0.000 . 4.500 3.063 2.382 3.962 . 0 0 "[ . 1 . 2]" 2
287 1 81 SER H 1 82 GLN H 0.000 . 5.000 4.641 4.112 4.702 . 0 0 "[ . 1 . 2]" 2
288 1 82 GLN HA 1 83 PRO QD 0.000 . 3.700 1.909 1.884 1.936 . 0 0 "[ . 1 . 2]" 2
289 1 82 GLN QB 1 83 PRO QD 0.000 . 7.000 3.080 2.534 3.517 . 0 0 "[ . 1 . 2]" 2
290 1 82 GLN QG 1 83 PRO QD 0.000 . 5.300 3.117 2.208 4.259 . 0 0 "[ . 1 . 2]" 2
291 1 82 GLN H 1 83 PRO QD 0.000 . 4.500 4.164 3.993 4.240 . 0 0 "[ . 1 . 2]" 2
292 1 83 PRO HA 1 84 LEU H 0.000 . 2.900 2.253 2.190 2.444 . 0 0 "[ . 1 . 2]" 2
293 1 84 LEU HA 1 85 ILE HB 0.000 . 5.000 4.329 4.173 4.420 . 0 0 "[ . 1 . 2]" 2
294 1 84 LEU HA 1 85 ILE H 0.000 . 2.900 2.285 2.204 2.399 . 0 0 "[ . 1 . 2]" 2
295 1 84 LEU MD1 1 85 ILE H 0.000 . 4.200 2.807 1.882 3.451 . 0 0 "[ . 1 . 2]" 2
296 1 84 LEU MD2 1 85 ILE H 0.000 . 6.500 4.535 3.549 5.215 . 0 0 "[ . 1 . 2]" 2
297 1 85 ILE HA 1 86 GLY H 0.000 . 2.700 2.322 2.213 2.472 . 0 0 "[ . 1 . 2]" 2
298 1 85 ILE HB 1 86 GLY H 0.000 . 6.000 4.089 3.915 4.304 . 0 0 "[ . 1 . 2]" 2
299 1 85 ILE MD 1 86 GLY H 0.000 . 4.200 3.073 2.725 3.522 . 0 0 "[ . 1 . 2]" 2
300 1 85 ILE QG 1 86 GLY H 0.000 . 7.000 3.993 1.846 4.480 . 0 0 "[ . 1 . 2]" 2
301 1 85 ILE MG 1 86 GLY H 0.000 . 4.200 2.196 1.838 2.941 . 0 0 "[ . 1 . 2]" 2
302 1 85 ILE H 1 86 GLY H 0.000 . 6.000 4.615 4.456 4.682 . 0 0 "[ . 1 . 2]" 2
303 1 86 GLY QA 1 87 THR H 0.000 . 3.900 2.348 2.287 2.446 . 0 0 "[ . 1 . 2]" 2
304 1 86 GLY H 1 87 THR H 0.000 . 3.500 3.366 2.935 3.534 0.034 14 0 "[ . 1 . 2]" 2
305 1 87 THR HA 1 88 GLN H 0.000 . 2.900 2.303 2.199 2.439 . 0 0 "[ . 1 . 2]" 2
306 1 87 THR HB 1 88 GLN HA 0.000 . 6.000 4.571 4.132 5.693 . 0 0 "[ . 1 . 2]" 2
307 1 87 THR HB 1 88 GLN H 0.000 . 5.000 3.882 3.337 4.390 . 0 0 "[ . 1 . 2]" 2
308 1 87 THR MG 1 88 GLN H 0.000 . 4.200 2.597 1.934 3.440 . 0 0 "[ . 1 . 2]" 2
309 1 88 GLN HA 1 89 SER QB 0.000 . 7.000 4.267 3.956 4.660 . 0 0 "[ . 1 . 2]" 2
310 1 88 GLN HA 1 89 SER H 0.000 . 2.700 2.265 2.220 2.341 . 0 0 "[ . 1 . 2]" 2
311 1 88 GLN QB 1 89 SER H 0.000 . 6.000 3.517 3.154 3.842 . 0 0 "[ . 1 . 2]" 2
312 1 88 GLN HE21 1 89 SER H 0.000 . 5.000 3.340 2.278 3.940 . 0 0 "[ . 1 . 2]" 2
313 1 88 GLN HE22 1 89 SER H 0.000 . 3.500 3.297 2.734 3.529 0.029 2 0 "[ . 1 . 2]" 2
314 1 88 GLN H 1 89 SER H 0.000 . 5.000 4.263 4.000 4.533 . 0 0 "[ . 1 . 2]" 2
315 1 89 SER HA 1 90 THR H 0.000 . 2.900 2.235 2.206 2.310 . 0 0 "[ . 1 . 2]" 2
316 1 89 SER QB 1 90 THR H 0.000 . 4.500 3.640 3.409 3.945 . 0 0 "[ . 1 . 2]" 2
317 1 90 THR HA 1 91 ALA H 0.000 . 2.900 2.253 2.215 2.423 . 0 0 "[ . 1 . 2]" 2
318 1 90 THR MG 1 91 ALA H 0.000 . 6.500 3.009 2.426 3.569 . 0 0 "[ . 1 . 2]" 2
319 1 91 ALA HA 1 92 ILE HB 0.000 . 6.000 5.607 5.541 5.799 . 0 0 "[ . 1 . 2]" 2
320 1 91 ALA HA 1 92 ILE MD 0.000 . 4.800 3.417 2.551 3.995 . 0 0 "[ . 1 . 2]" 2
321 1 91 ALA HA 1 92 ILE QG 0.000 . 6.000 4.313 2.849 5.431 . 0 0 "[ . 1 . 2]" 2
322 1 91 ALA HA 1 92 ILE MG 0.000 . 4.800 3.305 2.814 3.959 . 0 0 "[ . 1 . 2]" 2
323 1 91 ALA HA 1 92 ILE H 0.000 . 2.700 2.644 2.216 2.870 0.170 4 0 "[ . 1 . 2]" 2
324 1 91 ALA MB 1 92 ILE H 0.000 . 4.200 2.505 1.844 3.646 . 0 0 "[ . 1 . 2]" 2
325 1 91 ALA H 1 92 ILE H 0.000 . 5.000 4.391 2.933 4.687 . 0 0 "[ . 1 . 2]" 2
326 1 92 ILE HA 1 93 PRO QD 0.000 . 6.000 2.237 1.888 3.044 . 0 0 "[ . 1 . 2]" 2
327 1 92 ILE HB 1 93 PRO QD 0.000 . 6.000 2.578 1.751 4.480 . 0 0 "[ . 1 . 2]" 2
328 1 92 ILE MD 1 93 PRO QD 0.000 . 5.200 3.522 2.725 3.956 . 0 0 "[ . 1 . 2]" 2
329 1 92 ILE MG 1 93 PRO QD 0.000 . 5.200 3.324 2.538 3.913 . 0 0 "[ . 1 . 2]" 2
330 1 93 PRO HA 1 94 ALA H 0.000 . 2.700 2.438 2.218 2.841 0.141 16 0 "[ . 1 . 2]" 2
331 1 93 PRO QB 1 94 ALA H 0.000 . 4.300 3.831 3.525 3.994 . 0 0 "[ . 1 . 2]" 2
332 1 93 PRO QD 1 94 ALA H 0.000 . 6.000 4.388 3.449 4.811 . 0 0 "[ . 1 . 2]" 2
333 1 2 ILE HA 1 4 ARG H 0.000 . 5.000 4.348 3.502 5.073 0.073 2 0 "[ . 1 . 2]" 2
334 1 8 LEU MD2 1 10 PHE QE 0.000 . 6.200 3.012 2.374 3.712 . 0 0 "[ . 1 . 2]" 2
335 1 8 LEU MD2 1 10 PHE HZ 0.000 . 4.800 2.659 1.782 3.317 . 0 0 "[ . 1 . 2]" 2
336 1 10 PHE QB 1 13 VAL MG2 0.000 . 7.500 4.891 3.964 5.316 . 0 0 "[ . 1 . 2]" 2
337 1 13 VAL HA 1 18 ILE HA 0.000 . 6.000 2.219 1.864 2.587 . 0 0 "[ . 1 . 2]" 2
338 1 13 VAL HA 1 18 ILE MG 0.000 . 6.500 2.650 1.863 3.552 . 0 0 "[ . 1 . 2]" 2
339 1 13 VAL H 1 18 ILE MG 0.000 . 7.500 4.834 4.019 5.666 . 0 0 "[ . 1 . 2]" 2
340 1 14 ASP HA 1 16 ASP H 0.000 . 5.000 4.031 3.830 4.141 . 0 0 "[ . 1 . 2]" 2
341 1 14 ASP QB 1 16 ASP H 0.000 . 4.500 2.780 2.338 3.070 . 0 0 "[ . 1 . 2]" 2
342 1 14 ASP QB 1 17 SER H 0.000 . 4.500 2.530 1.944 2.993 . 0 0 "[ . 1 . 2]" 2
343 1 14 ASP H 1 17 SER H 0.000 . 5.000 3.434 3.010 3.691 . 0 0 "[ . 1 . 2]" 2
344 1 14 ASP H 1 18 ILE HA 0.000 . 3.500 2.804 2.371 3.389 . 0 0 "[ . 1 . 2]" 2
345 1 15 VAL HA 1 17 SER H 0.000 . 5.000 4.390 4.056 4.711 . 0 0 "[ . 1 . 2]" 2
346 1 15 VAL H 1 17 SER H 0.000 . 5.000 4.403 4.028 4.720 . 0 0 "[ . 1 . 2]" 2
347 1 18 ILE HA 1 20 ILE MG 0.000 . 7.500 4.225 3.941 4.663 . 0 0 "[ . 1 . 2]" 2
348 1 20 ILE MD 1 22 TRP HZ3 0.000 . 4.800 2.968 1.958 3.892 . 0 0 "[ . 1 . 2]" 2
349 1 20 ILE QG 1 22 TRP HH2 0.000 . 7.000 4.921 4.138 5.701 . 0 0 "[ . 1 . 2]" 2
350 1 22 TRP HD1 1 24 SER HA 0.000 . 5.000 3.479 2.957 4.210 . 0 0 "[ . 1 . 2]" 2
351 1 22 TRP HD1 1 24 SER QB 0.000 . 7.000 4.829 1.989 5.479 . 0 0 "[ . 1 . 2]" 2
352 1 22 TRP HD1 1 24 SER H 0.000 . 5.000 4.428 1.841 4.963 . 0 0 "[ . 1 . 2]" 2
353 1 22 TRP HE1 1 24 SER QB 0.000 . 6.000 5.021 3.136 5.412 . 0 0 "[ . 1 . 2]" 2
354 1 25 PRO HA 1 27 GLY H 0.000 . 5.000 4.462 3.743 5.037 0.037 16 0 "[ . 1 . 2]" 2
355 1 25 PRO QB 1 27 GLY H 0.000 . 6.000 3.310 2.325 4.734 . 0 0 "[ . 1 . 2]" 2
356 1 25 PRO QB 1 29 VAL MG2 0.000 . 5.800 2.985 1.672 4.092 . 0 0 "[ . 1 . 2]" 2
357 1 26 GLN QB 1 28 GLN H 0.000 . 6.000 4.986 3.806 5.397 . 0 0 "[ . 1 . 2]" 2
358 1 27 GLY QA 1 29 VAL H 0.000 . 6.000 5.232 4.787 5.538 . 0 0 "[ . 1 . 2]" 2
359 1 29 VAL HA 1 31 ARG H 0.000 . 6.000 3.923 3.404 5.222 . 0 0 "[ . 1 . 2]" 2
360 1 29 VAL MG1 1 31 ARG HA 0.000 . 6.500 3.497 2.874 4.029 . 0 0 "[ . 1 . 2]" 2
361 1 29 VAL MG1 1 31 ARG QG 0.000 . 8.500 4.801 4.259 5.385 . 0 0 "[ . 1 . 2]" 2
362 1 29 VAL MG1 1 31 ARG H 0.000 . 4.200 2.341 1.727 3.217 . 0 0 "[ . 1 . 2]" 2
363 1 29 VAL MG1 1 32 TYR QD 0.000 . 9.500 2.589 1.774 3.984 . 0 0 "[ . 1 . 2]" 2
364 1 29 VAL MG2 1 31 ARG H 0.000 . 5.000 3.544 2.132 4.186 . 0 0 "[ . 1 . 2]" 2
365 1 29 VAL MG2 1 32 TYR QD 0.000 . 9.500 3.887 2.788 5.951 . 0 0 "[ . 1 . 2]" 2
366 1 32 TYR QB 1 34 VAL MG2 0.000 . 5.800 3.107 2.484 3.772 . 0 0 "[ . 1 . 2]" 2
367 1 33 ARG QD 1 35 THR MG 0.000 . 5.800 3.829 3.306 4.147 . 0 0 "[ . 1 . 2]" 2
368 1 33 ARG QG 1 35 THR MG 0.000 . 5.800 2.944 2.326 3.809 . 0 0 "[ . 1 . 2]" 2
369 1 34 VAL MG1 1 36 TYR QD 0.000 . 9.500 2.614 2.254 3.749 . 0 0 "[ . 1 . 2]" 2
370 1 37 SER HA 1 42 GLY H 0.000 . 6.000 4.946 4.390 5.456 . 0 0 "[ . 1 . 2]" 2
371 1 38 SER QB 1 40 GLU H 0.000 . 6.000 2.932 2.329 3.371 . 0 0 "[ . 1 . 2]" 2
372 1 38 SER QB 1 41 ASP H 0.000 . 6.000 2.590 2.087 3.257 . 0 0 "[ . 1 . 2]" 2
373 1 38 SER QB 1 42 GLY QA 0.000 . 5.300 4.290 4.183 4.394 . 0 0 "[ . 1 . 2]" 2
374 1 38 SER H 1 41 ASP QB 0.000 . 6.000 4.506 3.732 5.280 . 0 0 "[ . 1 . 2]" 2
375 1 38 SER H 1 41 ASP H 0.000 . 5.000 4.894 4.269 5.081 0.081 14 0 "[ . 1 . 2]" 2
376 1 38 SER H 1 42 GLY H 0.000 . 3.500 3.142 2.630 3.553 0.053 7 0 "[ . 1 . 2]" 2
377 1 38 SER H 1 43 ILE HA 0.000 . 5.000 3.332 2.566 3.680 . 0 0 "[ . 1 . 2]" 2
378 1 39 PRO HA 1 42 GLY QA 0.000 . 7.000 5.212 4.500 5.889 . 0 0 "[ . 1 . 2]" 2
379 1 40 GLU HA 1 42 GLY H 0.000 . 5.000 4.629 4.034 4.984 . 0 0 "[ . 1 . 2]" 2
380 1 40 GLU QB 1 42 GLY H 0.000 . 7.000 4.269 3.540 5.082 . 0 0 "[ . 1 . 2]" 2
381 1 40 GLU H 1 42 GLY QA 0.000 . 4.500 3.879 3.708 4.035 . 0 0 "[ . 1 . 2]" 2
382 1 43 ILE MG 1 45 GLU QG 0.000 . 8.500 4.822 3.404 6.143 . 0 0 "[ . 1 . 2]" 2
383 1 47 PHE QB 1 49 ALA H 0.000 . 6.000 4.423 3.541 5.267 . 0 0 "[ . 1 . 2]" 2
384 1 47 PHE QD 1 49 ALA H 0.000 . 7.000 4.728 3.319 6.283 . 0 0 "[ . 1 . 2]" 2
385 1 51 ASP QB 1 53 GLU H 0.000 . 6.000 3.382 2.492 4.713 . 0 0 "[ . 1 . 2]" 2
386 1 51 ASP QB 1 54 GLU H 0.000 . 6.000 4.057 2.251 5.013 . 0 0 "[ . 1 . 2]" 2
387 1 51 ASP QB 1 54 GLU QG 0.000 . 7.000 4.375 2.453 5.492 . 0 0 "[ . 1 . 2]" 2
388 1 51 ASP H 1 54 GLU QB 0.000 . 4.500 3.180 2.271 4.062 . 0 0 "[ . 1 . 2]" 2
389 1 51 ASP H 1 54 GLU QG 0.000 . 7.000 4.354 1.981 5.390 . 0 0 "[ . 1 . 2]" 2
390 1 52 GLY QA 1 54 GLU H 0.000 . 7.000 3.960 3.376 4.849 . 0 0 "[ . 1 . 2]" 2
391 1 54 GLU HA 1 56 THR H 0.000 . 3.500 3.456 3.026 3.621 0.121 11 0 "[ . 1 . 2]" 2
392 1 54 GLU QB 1 56 THR H 0.000 . 4.500 3.470 2.777 4.157 . 0 0 "[ . 1 . 2]" 2
393 1 54 GLU H 1 56 THR H 0.000 . 6.000 5.545 5.008 5.982 . 0 0 "[ . 1 . 2]" 2
394 1 57 ALA MB 1 59 LEU MD2 0.000 . 8.000 3.256 2.159 4.205 . 0 0 "[ . 1 . 2]" 2
395 1 57 ALA MB 1 59 LEU H 0.000 . 7.500 3.813 3.457 4.148 . 0 0 "[ . 1 . 2]" 2
396 1 58 GLU HA 1 60 GLN QG 0.000 . 3.700 3.373 3.263 3.479 . 0 0 "[ . 1 . 2]" 2
397 1 59 LEU QB 1 62 LEU MD1 0.000 . 5.200 2.372 1.795 2.955 . 0 0 "[ . 1 . 2]" 2
398 1 59 LEU QB 1 62 LEU MD2 0.000 . 5.800 2.612 2.202 3.650 . 0 0 "[ . 1 . 2]" 2
399 1 59 LEU MD1 1 62 LEU MD1 0.000 . 6.300 3.403 2.666 4.171 . 0 0 "[ . 1 . 2]" 2
400 1 59 LEU MD2 1 62 LEU MD1 0.000 . 8.000 4.041 3.267 4.945 . 0 0 "[ . 1 . 2]" 2
401 1 60 GLN QB 1 62 LEU H 0.000 . 7.000 5.381 4.614 5.961 . 0 0 "[ . 1 . 2]" 2
402 1 64 PRO HA 1 66 SER H 0.000 . 5.000 4.764 4.335 5.069 0.069 3 0 "[ . 1 . 2]" 2
403 1 66 SER H 1 68 TYR QD 0.000 . 7.000 5.033 3.671 6.523 . 0 0 "[ . 1 . 2]" 2
404 1 68 TYR QD 1 70 VAL QG 0.000 . 7.700 2.475 1.968 3.406 . 0 0 "[ . 1 . 2]" 2
405 1 71 SER QB 1 73 VAL MG2 0.000 . 5.800 3.084 2.751 3.687 . 0 0 "[ . 1 . 2]" 2
406 1 73 VAL MG1 1 75 LEU MD2 0.000 . 5.700 2.806 2.454 3.167 . 0 0 "[ . 1 . 2]" 2
407 1 75 LEU MD2 1 79 MET QB 0.000 . 5.800 4.178 3.979 4.317 . 0 0 "[ . 1 . 2]" 2
408 1 75 LEU MD2 1 79 MET QG 0.000 . 8.500 5.612 4.837 5.940 . 0 0 "[ . 1 . 2]" 2
409 1 75 LEU MD2 1 80 GLU QG 0.000 . 5.200 3.321 1.911 3.963 . 0 0 "[ . 1 . 2]" 2
410 1 75 LEU MD2 1 80 GLU H 0.000 . 6.500 4.782 3.967 5.268 . 0 0 "[ . 1 . 2]" 2
411 1 76 HIS H 1 79 MET QB 0.000 . 6.000 3.028 2.384 3.702 . 0 0 "[ . 1 . 2]" 2
412 1 77 ASP QB 1 79 MET H 0.000 . 6.000 4.694 3.999 5.217 . 0 0 "[ . 1 . 2]" 2
413 1 79 MET QB 1 81 SER H 0.000 . 6.000 3.356 2.256 4.140 . 0 0 "[ . 1 . 2]" 2
414 1 85 ILE MG 1 87 THR HB 0.000 . 4.800 3.974 3.416 4.090 . 0 0 "[ . 1 . 2]" 2
415 1 85 ILE MG 1 87 THR H 0.000 . 6.500 2.724 2.325 3.020 . 0 0 "[ . 1 . 2]" 2
416 1 87 THR MG 1 89 SER H 0.000 . 6.500 4.920 4.531 5.258 . 0 0 "[ . 1 . 2]" 2
417 1 88 GLN QG 1 90 THR HA 0.000 . 7.000 5.280 3.358 6.186 . 0 0 "[ . 1 . 2]" 2
418 1 92 ILE QG 1 94 ALA H 0.000 . 6.000 4.122 2.466 5.294 . 0 0 "[ . 1 . 2]" 2
419 1 92 ILE MG 1 94 ALA H 0.000 . 7.500 5.585 4.552 6.269 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 202
_Distance_constraint_stats_list.Viol_total 139.802
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0346
_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 9 ALA 0.048 0.025 16 0 "[ . 1 . 2]"
1 14 ASP 0.043 0.031 12 0 "[ . 1 . 2]"
1 17 SER 0.043 0.031 12 0 "[ . 1 . 2]"
1 18 ILE 0.522 0.075 8 0 "[ . 1 . 2]"
1 20 ILE 1.403 0.133 15 0 "[ . 1 . 2]"
1 21 ALA 0.048 0.025 16 0 "[ . 1 . 2]"
1 22 TRP 0.321 0.079 5 0 "[ . 1 . 2]"
1 31 ARG 0.225 0.051 4 0 "[ . 1 . 2]"
1 33 ARG 0.724 0.066 4 0 "[ . 1 . 2]"
1 34 VAL 0.892 0.098 8 0 "[ . 1 . 2]"
1 35 THR 0.296 0.108 11 0 "[ . 1 . 2]"
1 36 TYR 0.529 0.074 1 0 "[ . 1 . 2]"
1 37 SER 0.959 0.111 19 0 "[ . 1 . 2]"
1 38 SER 0.002 0.002 15 0 "[ . 1 . 2]"
1 42 GLY 0.002 0.002 15 0 "[ . 1 . 2]"
1 44 HIS 0.529 0.074 1 0 "[ . 1 . 2]"
1 46 LEU 0.892 0.098 8 0 "[ . 1 . 2]"
1 55 ASP 0.321 0.079 5 0 "[ . 1 . 2]"
1 57 ALA 1.403 0.133 15 0 "[ . 1 . 2]"
1 59 LEU 0.522 0.075 8 0 "[ . 1 . 2]"
1 66 SER 0.568 0.062 15 0 "[ . 1 . 2]"
1 68 TYR 0.116 0.039 6 0 "[ . 1 . 2]"
1 69 THR 0.959 0.111 19 0 "[ . 1 . 2]"
1 70 VAL 0.307 0.074 18 0 "[ . 1 . 2]"
1 71 SER 0.296 0.108 11 0 "[ . 1 . 2]"
1 72 VAL 0.035 0.025 4 0 "[ . 1 . 2]"
1 73 VAL 0.724 0.066 4 0 "[ . 1 . 2]"
1 75 LEU 0.225 0.051 4 0 "[ . 1 . 2]"
1 84 LEU 0.035 0.025 4 0 "[ . 1 . 2]"
1 86 GLY 0.307 0.074 18 0 "[ . 1 . 2]"
1 88 GLN 0.116 0.039 6 0 "[ . 1 . 2]"
1 90 THR 0.568 0.062 15 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 9 ALA O 1 21 ALA N 0.000 . 3.300 3.056 2.785 3.280 . 0 0 "[ . 1 . 2]" 3
2 1 9 ALA O 1 21 ALA H 0.000 . 2.300 2.101 1.825 2.325 0.025 16 0 "[ . 1 . 2]" 3
3 1 14 ASP O 1 17 SER N 0.000 . 3.300 2.902 2.558 3.122 . 0 0 "[ . 1 . 2]" 3
4 1 14 ASP O 1 17 SER H 0.000 . 2.300 1.967 1.588 2.167 . 0 0 "[ . 1 . 2]" 3
5 1 14 ASP N 1 17 SER O 0.000 . 3.300 2.537 2.402 3.012 . 0 0 "[ . 1 . 2]" 3
6 1 14 ASP H 1 17 SER O 0.000 . 2.300 1.992 1.530 2.331 0.031 12 0 "[ . 1 . 2]" 3
7 1 18 ILE O 1 59 LEU N 0.000 . 3.300 3.130 2.556 3.300 0.000 8 0 "[ . 1 . 2]" 3
8 1 18 ILE O 1 59 LEU H 0.000 . 2.300 2.296 2.055 2.375 0.075 8 0 "[ . 1 . 2]" 3
9 1 20 ILE O 1 57 ALA N 0.000 . 3.300 2.860 2.661 3.116 . 0 0 "[ . 1 . 2]" 3
10 1 20 ILE O 1 57 ALA H 0.000 . 2.300 1.981 1.761 2.286 . 0 0 "[ . 1 . 2]" 3
11 1 9 ALA N 1 21 ALA O 0.000 . 3.300 2.773 2.460 3.213 . 0 0 "[ . 1 . 2]" 3
12 1 9 ALA H 1 21 ALA O 0.000 . 2.300 1.856 1.484 2.245 . 0 0 "[ . 1 . 2]" 3
13 1 31 ARG O 1 75 LEU N 0.000 . 3.300 2.801 2.464 3.076 . 0 0 "[ . 1 . 2]" 3
14 1 31 ARG O 1 75 LEU H 0.000 . 2.300 2.201 1.754 2.351 0.051 4 0 "[ . 1 . 2]" 3
15 1 33 ARG O 1 73 VAL N 0.000 . 3.300 3.091 2.860 3.259 . 0 0 "[ . 1 . 2]" 3
16 1 33 ARG O 1 73 VAL H 0.000 . 2.300 2.265 1.918 2.361 0.061 9 0 "[ . 1 . 2]" 3
17 1 34 VAL O 1 46 LEU N 0.000 . 3.300 2.792 2.430 3.227 . 0 0 "[ . 1 . 2]" 3
18 1 34 VAL O 1 46 LEU H 0.000 . 2.300 1.990 1.459 2.349 0.049 15 0 "[ . 1 . 2]" 3
19 1 35 THR O 1 71 SER N 0.000 . 3.300 2.518 2.415 2.686 . 0 0 "[ . 1 . 2]" 3
20 1 35 THR O 1 71 SER H 0.000 . 2.300 1.570 1.440 1.736 . 0 0 "[ . 1 . 2]" 3
21 1 36 TYR O 1 44 HIS N 0.000 . 3.300 2.796 2.489 3.118 . 0 0 "[ . 1 . 2]" 3
22 1 36 TYR O 1 44 HIS H 0.000 . 2.300 1.908 1.581 2.288 . 0 0 "[ . 1 . 2]" 3
23 1 37 SER O 1 69 THR N 0.000 . 3.300 3.168 2.840 3.290 . 0 0 "[ . 1 . 2]" 3
24 1 37 SER O 1 69 THR H 0.000 . 2.300 2.329 2.170 2.411 0.111 19 0 "[ . 1 . 2]" 3
25 1 38 SER N 1 42 GLY O 0.000 . 3.300 2.697 2.490 3.034 . 0 0 "[ . 1 . 2]" 3
26 1 38 SER H 1 42 GLY O 0.000 . 2.300 1.870 1.528 2.302 0.002 15 0 "[ . 1 . 2]" 3
27 1 36 TYR N 1 44 HIS O 0.000 . 3.300 3.179 2.956 3.289 . 0 0 "[ . 1 . 2]" 3
28 1 36 TYR H 1 44 HIS O 0.000 . 2.300 2.285 1.994 2.374 0.074 1 0 "[ . 1 . 2]" 3
29 1 34 VAL N 1 46 LEU O 0.000 . 3.300 3.066 2.640 3.366 0.066 8 0 "[ . 1 . 2]" 3
30 1 34 VAL H 1 46 LEU O 0.000 . 2.300 2.170 1.749 2.398 0.098 8 0 "[ . 1 . 2]" 3
31 1 22 TRP N 1 55 ASP O 0.000 . 3.300 3.115 2.804 3.302 0.002 5 0 "[ . 1 . 2]" 3
32 1 22 TRP H 1 55 ASP O 0.000 . 2.300 2.277 2.083 2.379 0.079 5 0 "[ . 1 . 2]" 3
33 1 20 ILE N 1 57 ALA O 0.000 . 3.300 3.272 3.077 3.332 0.032 10 0 "[ . 1 . 2]" 3
34 1 20 ILE H 1 57 ALA O 0.000 . 2.300 2.361 2.319 2.433 0.133 15 0 "[ . 1 . 2]" 3
35 1 18 ILE N 1 59 LEU O 0.000 . 3.300 2.956 2.415 3.231 . 0 0 "[ . 1 . 2]" 3
36 1 18 ILE H 1 59 LEU O 0.000 . 2.300 2.066 1.501 2.368 0.068 6 0 "[ . 1 . 2]" 3
37 1 66 SER O 1 90 THR N 0.000 . 3.300 3.191 2.596 3.324 0.024 9 0 "[ . 1 . 2]" 3
38 1 66 SER O 1 90 THR H 0.000 . 2.300 2.240 1.642 2.362 0.062 15 0 "[ . 1 . 2]" 3
39 1 37 SER N 1 69 THR O 0.000 . 3.300 2.884 2.448 3.332 0.032 7 0 "[ . 1 . 2]" 3
40 1 37 SER H 1 69 THR O 0.000 . 2.300 1.960 1.548 2.358 0.058 7 0 "[ . 1 . 2]" 3
41 1 70 VAL O 1 86 GLY N 0.000 . 3.300 2.599 2.411 2.871 . 0 0 "[ . 1 . 2]" 3
42 1 70 VAL O 1 86 GLY H 0.000 . 2.300 1.869 1.533 2.220 . 0 0 "[ . 1 . 2]" 3
43 1 35 THR N 1 71 SER O 0.000 . 3.300 3.108 2.859 3.312 0.012 11 0 "[ . 1 . 2]" 3
44 1 35 THR H 1 71 SER O 0.000 . 2.300 2.238 1.894 2.408 0.108 11 0 "[ . 1 . 2]" 3
45 1 72 VAL O 1 84 LEU N 0.000 . 3.300 2.746 2.442 3.141 . 0 0 "[ . 1 . 2]" 3
46 1 72 VAL O 1 84 LEU H 0.000 . 2.300 1.889 1.540 2.253 . 0 0 "[ . 1 . 2]" 3
47 1 33 ARG N 1 73 VAL O 0.000 . 3.300 2.803 2.523 3.150 . 0 0 "[ . 1 . 2]" 3
48 1 33 ARG H 1 73 VAL O 0.000 . 2.300 2.110 1.706 2.366 0.066 4 0 "[ . 1 . 2]" 3
49 1 72 VAL N 1 84 LEU O 0.000 . 3.300 2.803 2.472 3.189 . 0 0 "[ . 1 . 2]" 3
50 1 72 VAL H 1 84 LEU O 0.000 . 2.300 1.944 1.526 2.325 0.025 4 0 "[ . 1 . 2]" 3
51 1 70 VAL N 1 86 GLY O 0.000 . 3.300 3.182 3.013 3.310 0.010 18 0 "[ . 1 . 2]" 3
52 1 70 VAL H 1 86 GLY O 0.000 . 2.300 2.297 2.154 2.374 0.074 18 0 "[ . 1 . 2]" 3
53 1 68 TYR N 1 88 GLN O 0.000 . 3.300 2.947 2.661 3.141 . 0 0 "[ . 1 . 2]" 3
54 1 68 TYR H 1 88 GLN O 0.000 . 2.300 2.189 1.771 2.339 0.039 6 0 "[ . 1 . 2]" 3
stop_
save_
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