NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604903 |
5kk3   |
30121 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kk3
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 510
_Distance_constraint_stats_list.Viol_count 556
_Distance_constraint_stats_list.Viol_total 35775.766
_Distance_constraint_stats_list.Viol_max 12.005
_Distance_constraint_stats_list.Viol_rms 2.2532
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7015
_Distance_constraint_stats_list.Viol_average_violations_only 6.4345
_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 15 GLN 817.424 11.914 1 10 [+*******-*]
1 16 LYS 88.320 9.862 3 10 [**+-******]
1 17 LEU 940.949 12.005 3 10 [-*+*******]
1 18 VAL 0.000 0.000 . 0 "[ . 1]"
1 19 PHE 0.290 0.169 1 0 "[ . 1]"
1 20 PHE 0.057 0.047 4 0 "[ . 1]"
1 21 ALA 0.032 0.027 9 0 "[ . 1]"
1 22 GLU 0.000 0.000 . 0 "[ . 1]"
1 23 ASP 0.000 0.000 . 0 "[ . 1]"
1 24 VAL 0.032 0.027 9 0 "[ . 1]"
1 25 GLY 0.000 0.000 . 0 "[ . 1]"
1 26 SER 0.000 0.000 . 0 "[ . 1]"
1 27 ASN 0.057 0.047 4 0 "[ . 1]"
1 28 LYS 0.038 0.012 9 0 "[ . 1]"
1 29 GLY 0.072 0.023 2 0 "[ . 1]"
1 30 ALA 0.082 0.037 9 0 "[ . 1]"
1 31 ILE 0.267 0.169 1 0 "[ . 1]"
1 32 ILE 0.047 0.023 1 0 "[ . 1]"
1 33 GLY 0.060 0.060 7 0 "[ . 1]"
1 34 LEU 0.126 0.055 3 0 "[ . 1]"
1 35 MET 1730.457 11.639 7 10 [******+***]
1 36 VAL 0.271 0.064 9 0 "[ . 1]"
1 37 GLY 0.025 0.011 2 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 VAL 0.005 0.003 5 0 "[ . 1]"
1 40 VAL 0.037 0.037 9 0 "[ . 1]"
1 41 ILE 0.038 0.012 9 0 "[ . 1]"
1 42 ALA 0.072 0.023 2 0 "[ . 1]"
2 15 GLN 736.190 11.312 7 10 [******+***]
2 16 LYS 90.482 9.803 2 10 [*+******-*]
2 17 LEU 903.539 11.639 7 10 [*****-+***]
2 35 MET 1748.269 12.005 3 10 [-*+*******]
2 36 VAL 97.912 11.101 10 10 [********-+]
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 15 GLN C 1 16 LYS CA . . 8.500 2.435 2.434 2.435 . 0 0 "[ . 1]" 1
2 1 15 GLN C 1 16 LYS CD . . 7.500 4.944 4.355 5.552 . 0 0 "[ . 1]" 1
3 1 15 GLN C 2 35 MET CB . . 8.500 16.904 16.201 17.344 8.844 6 10 [****-+****] 1
4 1 15 GLN C 2 35 MET CE . . 10.000 19.154 17.554 20.698 10.698 1 10 [+******-**] 1
5 1 15 GLN C 2 35 MET CG . . 8.500 17.892 16.513 18.731 10.231 6 10 [****-+****] 1
6 1 15 GLN CA 1 16 LYS CD . . 8.500 6.327 5.761 6.896 . 0 0 "[ . 1]" 1
7 1 15 GLN CA 2 35 MET CE . . 8.500 18.687 16.845 20.414 11.914 1 10 [+******-**] 1
8 1 15 GLN CB 2 35 MET CE . . 8.500 17.424 15.601 19.275 10.775 1 10 [+******-**] 1
9 1 15 GLN CD 2 35 MET CE . . 10.000 17.336 15.366 19.189 9.189 2 10 [*+******-*] 1
10 1 15 GLN CD 2 35 MET N . . 12.000 14.676 13.087 15.671 3.671 4 10 [***+****-*] 1
11 1 15 GLN CD 2 36 VAL CB . . 8.500 18.291 16.397 19.601 11.101 10 10 [********-+] 1
12 1 15 GLN CG 1 16 LYS CD . . 8.500 7.896 6.762 8.500 . 0 0 "[ . 1]" 1
13 1 15 GLN CG 2 35 MET CB . . 8.500 15.508 14.700 16.403 7.903 1 10 [+***-*****] 1
14 1 15 GLN CG 2 35 MET CE . . 8.500 17.371 15.115 19.676 11.176 1 10 [+******-**] 1
15 1 16 LYS C 1 17 LEU C . . 7.500 3.457 3.242 3.602 . 0 0 "[ . 1]" 1
16 1 16 LYS C 1 17 LEU CA . . 7.500 2.434 2.434 2.435 . 0 0 "[ . 1]" 1
17 1 16 LYS C 1 17 LEU CB . . 7.500 3.490 3.336 3.654 . 0 0 "[ . 1]" 1
18 1 16 LYS C 1 17 LEU CD1 . . 7.500 5.610 5.354 5.776 . 0 0 "[ . 1]" 1
19 1 16 LYS C 1 17 LEU CD2 . . 7.500 5.003 4.241 5.506 . 0 0 "[ . 1]" 1
20 1 16 LYS C 1 17 LEU CG . . 7.500 4.645 4.396 4.878 . 0 0 "[ . 1]" 1
21 1 16 LYS C 1 17 LEU N . . 12.000 1.328 1.327 1.329 . 0 0 "[ . 1]" 1
22 1 16 LYS C 1 18 VAL N . . 12.000 4.103 3.529 4.440 . 0 0 "[ . 1]" 1
23 1 16 LYS C 2 35 MET CE . . 10.000 18.811 17.535 19.862 9.862 3 10 [**+-******] 1
24 1 16 LYS CA 1 18 VAL C . . 10.000 7.810 7.194 8.175 . 0 0 "[ . 1]" 1
25 1 16 LYS CB 1 17 LEU CD2 . . 7.500 7.186 6.096 7.637 0.137 1 0 "[ . 1]" 1
26 1 16 LYS CB 1 18 VAL N . . 12.000 5.818 5.373 6.106 . 0 0 "[ . 1]" 1
27 1 16 LYS CD 1 17 LEU CA . . 10.000 5.637 4.362 6.625 . 0 0 "[ . 1]" 1
28 1 16 LYS CD 1 17 LEU CD2 . . 10.000 8.017 6.699 8.925 . 0 0 "[ . 1]" 1
29 1 16 LYS CG 1 17 LEU N . . 12.000 3.915 3.252 4.742 . 0 0 "[ . 1]" 1
30 1 17 LEU C 2 35 MET CE . . 10.000 18.664 17.581 19.652 9.652 7 10 [***-**+***] 1
31 1 17 LEU CA 1 18 VAL C . . 10.000 4.769 4.708 4.834 . 0 0 "[ . 1]" 1
32 1 17 LEU CA 1 18 VAL CA . . 7.500 3.804 3.803 3.805 . 0 0 "[ . 1]" 1
33 1 17 LEU CA 1 18 VAL CG1 . . 7.500 5.322 4.529 6.125 . 0 0 "[ . 1]" 1
34 1 17 LEU CA 1 18 VAL N . . 6.500 2.426 2.425 2.427 . 0 0 "[ . 1]" 1
35 1 17 LEU CA 1 34 LEU CG . . 8.500 8.371 7.916 8.527 0.027 9 0 "[ . 1]" 1
36 1 17 LEU CA 2 35 MET CE . . 10.000 17.735 16.551 18.756 8.756 7 10 [***-**+***] 1
37 1 17 LEU CB 1 18 VAL CA . . 7.500 4.723 4.606 4.863 . 0 0 "[ . 1]" 1
38 1 17 LEU CB 1 18 VAL CG1 . . 7.500 6.470 5.690 7.255 . 0 0 "[ . 1]" 1
39 1 17 LEU CB 1 34 LEU N . . 12.000 8.902 8.459 9.436 . 0 0 "[ . 1]" 1
40 1 17 LEU CB 2 35 MET CA . . 8.000 13.333 12.352 14.221 6.221 7 10 [****-*+***] 1
41 1 17 LEU CB 2 35 MET CB . . 8.500 13.637 12.726 14.293 5.793 7 10 [****-*+***] 1
42 1 17 LEU CB 2 35 MET CE . . 8.500 16.493 15.460 17.405 8.905 2 10 [*+*-******] 1
43 1 17 LEU CB 2 35 MET CG . . 8.500 14.850 13.475 15.722 7.222 7 10 [****-*+***] 1
44 1 17 LEU CD1 1 18 VAL C . . 7.500 5.157 4.497 6.543 . 0 0 "[ . 1]" 1
45 1 17 LEU CD1 1 18 VAL CA . . 10.000 4.866 4.390 5.986 . 0 0 "[ . 1]" 1
46 1 17 LEU CD1 1 18 VAL CB . . 7.500 6.281 5.806 7.305 . 0 0 "[ . 1]" 1
47 1 17 LEU CD1 1 18 VAL N . . 6.500 4.091 3.638 5.106 . 0 0 "[ . 1]" 1
48 1 17 LEU CD1 1 19 PHE CA . . 8.500 6.371 4.962 8.262 . 0 0 "[ . 1]" 1
49 1 17 LEU CD1 1 19 PHE CB . . 10.000 6.330 4.836 8.343 . 0 0 "[ . 1]" 1
50 1 17 LEU CD1 1 19 PHE N . . 7.500 5.593 4.230 7.383 . 0 0 "[ . 1]" 1
51 1 17 LEU CD1 1 32 ILE CA . . 7.500 7.160 6.304 7.523 0.023 1 0 "[ . 1]" 1
52 1 17 LEU CD1 1 32 ILE CD1 . . 8.500 4.808 3.199 8.516 0.016 1 0 "[ . 1]" 1
53 1 17 LEU CD1 1 34 LEU CB . . 10.000 7.422 5.723 8.505 . 0 0 "[ . 1]" 1
54 1 17 LEU CD1 1 34 LEU CG . . 10.000 6.062 4.335 7.250 . 0 0 "[ . 1]" 1
55 1 17 LEU CD1 2 35 MET CB . . 10.000 12.815 10.913 14.248 4.248 7 10 [-*****+***] 1
56 1 17 LEU CD1 2 35 MET CE . . 8.500 15.824 14.121 17.220 8.720 7 10 [******+**-] 1
57 1 17 LEU CD1 2 35 MET CG . . 10.000 14.080 12.186 15.622 5.622 7 10 [-*****+***] 1
58 1 17 LEU CD2 1 18 VAL CA . . 8.500 5.633 4.453 6.513 . 0 0 "[ . 1]" 1
59 1 17 LEU CD2 1 32 ILE CD1 . . 10.000 6.139 3.537 9.854 . 0 0 "[ . 1]" 1
60 1 17 LEU CD2 2 35 MET CB . . 10.000 12.824 11.808 14.311 4.311 3 10 [**+-******] 1
61 1 17 LEU CD2 2 35 MET CE . . 8.500 15.713 13.486 18.329 9.829 3 10 [**+****-**] 1
62 1 17 LEU CD2 2 35 MET CG . . 8.500 14.032 12.580 15.706 7.206 3 10 [**+-******] 1
63 1 17 LEU CG 1 18 VAL CA . . 7.500 4.907 4.355 5.362 . 0 0 "[ . 1]" 1
64 1 17 LEU CG 1 18 VAL CB . . 8.000 6.183 5.672 6.659 . 0 0 "[ . 1]" 1
65 1 17 LEU CG 1 19 PHE CA . . 8.000 7.003 6.030 7.993 . 0 0 "[ . 1]" 1
66 1 17 LEU CG 1 32 ILE CA . . 10.000 8.082 7.529 8.900 . 0 0 "[ . 1]" 1
67 1 17 LEU CG 1 34 LEU CB . . 10.000 7.693 7.143 8.499 . 0 0 "[ . 1]" 1
68 1 17 LEU CG 1 34 LEU CG . . 10.000 6.262 5.749 7.129 . 0 0 "[ . 1]" 1
69 1 17 LEU CG 2 35 MET CB . . 8.500 13.095 12.426 14.446 5.946 7 10 [-*****+***] 1
70 1 17 LEU CG 2 35 MET CE . . 8.500 16.017 14.248 17.460 8.960 3 10 [**+-******] 1
71 1 17 LEU N 2 35 MET CE . . 7.500 18.452 17.240 19.505 12.005 3 10 [**+****-**] 1
72 1 18 VAL C 1 20 PHE CA . . 8.000 5.289 4.403 5.926 . 0 0 "[ . 1]" 1
73 1 18 VAL CA 1 19 PHE C . . 8.000 4.631 4.436 4.746 . 0 0 "[ . 1]" 1
74 1 18 VAL CA 1 21 ALA CB . . 8.500 7.541 6.312 8.439 . 0 0 "[ . 1]" 1
75 1 18 VAL CB 1 19 PHE CD1 . . 8.500 7.351 6.375 7.721 . 0 0 "[ . 1]" 1
76 1 18 VAL CB 1 20 PHE CA . . 8.500 6.109 5.513 7.027 . 0 0 "[ . 1]" 1
77 1 18 VAL CB 1 32 ILE CG1 . . 10.000 8.465 6.805 9.658 . 0 0 "[ . 1]" 1
78 1 18 VAL CG1 1 19 PHE N . . 6.500 3.855 3.048 4.648 . 0 0 "[ . 1]" 1
79 1 18 VAL N 1 34 LEU CD2 . . 12.000 9.203 8.001 10.516 . 0 0 "[ . 1]" 1
80 1 19 PHE C 1 20 PHE CA . . 7.500 2.434 2.432 2.435 . 0 0 "[ . 1]" 1
81 1 19 PHE CA 1 20 PHE CA . . 8.500 3.804 3.802 3.805 . 0 0 "[ . 1]" 1
82 1 19 PHE CA 1 20 PHE CG . . 8.500 5.286 4.726 6.114 . 0 0 "[ . 1]" 1
83 1 19 PHE CA 1 20 PHE N . . 12.000 2.425 2.424 2.426 . 0 0 "[ . 1]" 1
84 1 19 PHE CB 1 20 PHE CA . . 7.500 4.354 4.225 4.535 . 0 0 "[ . 1]" 1
85 1 19 PHE CB 1 20 PHE N . . 12.000 3.003 2.836 3.235 . 0 0 "[ . 1]" 1
86 1 19 PHE CB 1 30 ALA CA . . 8.500 7.754 6.131 8.533 0.033 9 0 "[ . 1]" 1
87 1 19 PHE CB 1 31 ILE C . . 10.000 6.705 5.259 7.650 . 0 0 "[ . 1]" 1
88 1 19 PHE CB 1 32 ILE N . . 12.000 6.427 5.159 7.394 . 0 0 "[ . 1]" 1
89 1 19 PHE CD1 1 20 PHE CA . . 8.500 5.022 3.920 6.426 . 0 0 "[ . 1]" 1
90 1 19 PHE CD1 1 30 ALA CA . . 8.500 6.135 5.257 7.190 . 0 0 "[ . 1]" 1
91 1 19 PHE CD1 1 30 ALA CB . . 7.500 5.435 4.270 6.198 . 0 0 "[ . 1]" 1
92 1 19 PHE CD1 1 31 ILE CB . . 10.000 7.640 6.878 8.421 . 0 0 "[ . 1]" 1
93 1 19 PHE CD1 1 32 ILE CA . . 8.500 5.555 4.626 6.567 . 0 0 "[ . 1]" 1
94 1 19 PHE CD1 1 32 ILE CB . . 7.500 4.535 3.419 5.502 . 0 0 "[ . 1]" 1
95 1 19 PHE CD1 1 32 ILE CD1 . . 7.500 4.392 3.466 6.065 . 0 0 "[ . 1]" 1
96 1 19 PHE CD1 1 32 ILE CG1 . . 7.500 4.827 4.075 6.407 . 0 0 "[ . 1]" 1
97 1 19 PHE CD1 1 32 ILE CG2 . . 8.500 4.757 3.465 5.994 . 0 0 "[ . 1]" 1
98 1 19 PHE CD1 1 32 ILE N . . 12.000 5.572 4.716 6.563 . 0 0 "[ . 1]" 1
99 1 19 PHE CE1 1 20 PHE CB . . 8.500 5.354 3.634 7.197 . 0 0 "[ . 1]" 1
100 1 19 PHE CE1 1 30 ALA CA . . 8.000 5.486 4.631 7.514 . 0 0 "[ . 1]" 1
101 1 19 PHE CE1 1 30 ALA CB . . 7.500 4.809 4.225 6.515 . 0 0 "[ . 1]" 1
102 1 19 PHE CE1 1 31 ILE CB . . 8.500 7.207 6.053 8.513 0.013 1 0 "[ . 1]" 1
103 1 19 PHE CE1 1 31 ILE CG2 . . 10.000 7.932 6.303 9.479 . 0 0 "[ . 1]" 1
104 1 19 PHE CE1 1 32 ILE CA . . 8.500 5.743 4.399 7.062 . 0 0 "[ . 1]" 1
105 1 19 PHE CE1 1 32 ILE CB . . 8.000 4.937 3.664 6.158 . 0 0 "[ . 1]" 1
106 1 19 PHE CE1 1 32 ILE CD1 . . 7.500 5.089 3.598 6.929 . 0 0 "[ . 1]" 1
107 1 19 PHE CE1 1 32 ILE CG1 . . 7.500 5.412 4.386 7.217 . 0 0 "[ . 1]" 1
108 1 19 PHE CE1 1 32 ILE CG2 . . 8.500 5.158 3.707 6.509 . 0 0 "[ . 1]" 1
109 1 19 PHE CG 1 20 PHE CA . . 7.500 4.552 4.070 5.109 . 0 0 "[ . 1]" 1
110 1 19 PHE CG 1 20 PHE CG . . 8.500 4.987 4.440 5.607 . 0 0 "[ . 1]" 1
111 1 19 PHE CG 1 32 ILE CB . . 7.500 4.572 4.267 5.207 . 0 0 "[ . 1]" 1
112 1 19 PHE CZ 1 27 ASN CB . . 12.000 8.475 7.054 11.088 . 0 0 "[ . 1]" 1
113 1 19 PHE CZ 1 30 ALA CA . . 8.500 5.409 3.724 8.352 . 0 0 "[ . 1]" 1
114 1 19 PHE CZ 1 30 ALA CB . . 7.500 4.630 3.198 7.511 0.011 1 0 "[ . 1]" 1
115 1 19 PHE CZ 1 30 ALA N . . 12.000 6.696 5.106 9.564 . 0 0 "[ . 1]" 1
116 1 19 PHE CZ 1 31 ILE CA . . 8.500 5.972 4.848 7.284 . 0 0 "[ . 1]" 1
117 1 19 PHE CZ 1 31 ILE CB . . 8.500 7.397 6.275 8.669 0.169 1 0 "[ . 1]" 1
118 1 19 PHE CZ 1 32 ILE CA . . 8.500 6.183 5.370 7.362 . 0 0 "[ . 1]" 1
119 1 19 PHE CZ 1 32 ILE CB . . 8.500 5.372 4.715 6.354 . 0 0 "[ . 1]" 1
120 1 19 PHE CZ 1 32 ILE CD1 . . 8.500 5.559 3.533 7.220 . 0 0 "[ . 1]" 1
121 1 19 PHE CZ 1 32 ILE CG1 . . 8.500 5.911 4.256 7.316 . 0 0 "[ . 1]" 1
122 1 19 PHE CZ 1 32 ILE CG2 . . 8.500 5.429 4.410 6.511 . 0 0 "[ . 1]" 1
123 1 19 PHE N 1 32 ILE C . . 12.000 8.691 7.545 9.849 . 0 0 "[ . 1]" 1
124 1 20 PHE C 1 21 ALA CA . . 7.500 2.433 2.433 2.434 . 0 0 "[ . 1]" 1
125 1 20 PHE C 1 25 GLY N . . 12.000 10.944 9.999 11.547 . 0 0 "[ . 1]" 1
126 1 20 PHE CA 1 21 ALA C . . 7.500 4.729 4.598 4.861 . 0 0 "[ . 1]" 1
127 1 20 PHE CA 1 21 ALA CA . . 7.500 3.803 3.802 3.805 . 0 0 "[ . 1]" 1
128 1 20 PHE CA 1 21 ALA CB . . 7.500 4.637 4.382 4.780 . 0 0 "[ . 1]" 1
129 1 20 PHE CA 1 21 ALA N . . 12.000 2.425 2.425 2.427 . 0 0 "[ . 1]" 1
130 1 20 PHE CA 1 22 GLU N . . 12.000 5.151 4.758 5.647 . 0 0 "[ . 1]" 1
131 1 20 PHE CA 1 24 VAL CB . . 10.000 7.783 6.817 8.979 . 0 0 "[ . 1]" 1
132 1 20 PHE CA 1 24 VAL CG2 . . 8.500 7.314 6.152 8.499 . 0 0 "[ . 1]" 1
133 1 20 PHE CA 1 25 GLY N . . 12.000 10.780 9.766 11.857 . 0 0 "[ . 1]" 1
134 1 20 PHE CB 1 22 GLU CA . . 10.000 6.400 5.783 7.387 . 0 0 "[ . 1]" 1
135 1 20 PHE CD1 1 22 GLU CA . . 12.000 6.400 4.418 8.106 . 0 0 "[ . 1]" 1
136 1 20 PHE CD1 1 24 VAL CG2 . . 7.500 5.088 3.803 6.740 . 0 0 "[ . 1]" 1
137 1 20 PHE CE1 1 24 VAL CG2 . . 8.500 4.869 3.518 7.083 . 0 0 "[ . 1]" 1
138 1 20 PHE CZ 1 24 VAL CG2 . . 8.500 5.004 3.240 7.042 . 0 0 "[ . 1]" 1
139 1 20 PHE CZ 1 27 ASN CA . . 8.500 6.908 4.762 8.547 0.047 4 0 "[ . 1]" 1
140 1 20 PHE CZ 1 27 ASN CB . . 8.500 5.619 3.302 7.219 . 0 0 "[ . 1]" 1
141 1 20 PHE CZ 1 30 ALA CB . . 8.500 6.187 3.467 8.366 . 0 0 "[ . 1]" 1
142 1 21 ALA C 1 22 GLU CA . . 7.500 2.434 2.433 2.435 . 0 0 "[ . 1]" 1
143 1 21 ALA C 1 22 GLU CB . . 7.500 3.284 2.968 3.716 . 0 0 "[ . 1]" 1
144 1 21 ALA C 1 22 GLU CD . . 7.500 4.375 3.857 5.251 . 0 0 "[ . 1]" 1
145 1 21 ALA CA 1 22 GLU CB . . 7.500 4.578 4.380 4.855 . 0 0 "[ . 1]" 1
146 1 21 ALA CA 1 22 GLU CD . . 8.000 5.592 4.667 6.737 . 0 0 "[ . 1]" 1
147 1 21 ALA CA 1 24 VAL CG2 . . 8.500 7.688 6.387 8.527 0.027 9 0 "[ . 1]" 1
148 1 21 ALA CB 1 22 GLU C . . 7.500 5.512 5.069 6.116 . 0 0 "[ . 1]" 1
149 1 21 ALA CB 1 22 GLU CB . . 7.500 5.040 4.667 5.516 . 0 0 "[ . 1]" 1
150 1 21 ALA CB 1 22 GLU N . . 12.000 3.167 2.848 3.713 . 0 0 "[ . 1]" 1
151 1 22 GLU C 1 23 ASP CA . . 7.500 2.434 2.433 2.434 . 0 0 "[ . 1]" 1
152 1 22 GLU C 1 23 ASP CG . . 8.000 4.303 4.003 4.652 . 0 0 "[ . 1]" 1
153 1 22 GLU CA 1 23 ASP C . . 7.500 4.431 4.365 4.521 . 0 0 "[ . 1]" 1
154 1 22 GLU CA 1 23 ASP CA . . 7.500 3.804 3.803 3.805 . 0 0 "[ . 1]" 1
155 1 22 GLU CA 1 23 ASP CG . . 7.500 5.380 4.990 5.910 . 0 0 "[ . 1]" 1
156 1 22 GLU CA 1 23 ASP N . . 6.500 2.425 2.424 2.426 . 0 0 "[ . 1]" 1
157 1 22 GLU CA 1 24 VAL CA . . 8.500 6.182 5.426 6.816 . 0 0 "[ . 1]" 1
158 1 22 GLU CA 1 24 VAL CG1 . . 8.500 6.474 4.636 8.344 . 0 0 "[ . 1]" 1
159 1 22 GLU CB 1 23 ASP C . . 7.500 4.850 4.663 5.258 . 0 0 "[ . 1]" 1
160 1 22 GLU CB 1 23 ASP CA . . 7.500 4.297 4.235 4.440 . 0 0 "[ . 1]" 1
161 1 22 GLU CB 1 23 ASP CB . . 10.000 5.013 4.663 5.318 . 0 0 "[ . 1]" 1
162 1 22 GLU CB 1 23 ASP N . . 7.500 2.928 2.847 3.114 . 0 0 "[ . 1]" 1
163 1 22 GLU CG 1 23 ASP C . . 7.500 5.792 5.632 5.976 . 0 0 "[ . 1]" 1
164 1 22 GLU CG 1 23 ASP CG . . 7.500 6.126 5.460 7.363 . 0 0 "[ . 1]" 1
165 1 23 ASP C 1 24 VAL CA . . 8.000 2.435 2.433 2.436 . 0 0 "[ . 1]" 1
166 1 23 ASP C 1 24 VAL CB . . 8.000 3.462 3.271 3.663 . 0 0 "[ . 1]" 1
167 1 23 ASP C 1 24 VAL CG2 . . 7.500 3.779 3.099 4.807 . 0 0 "[ . 1]" 1
168 1 23 ASP CA 1 24 VAL C . . 7.500 4.715 4.576 4.820 . 0 0 "[ . 1]" 1
169 1 23 ASP CA 1 24 VAL CA . . 7.500 3.804 3.803 3.805 . 0 0 "[ . 1]" 1
170 1 23 ASP CB 1 24 VAL C . . 7.500 5.330 4.922 5.883 . 0 0 "[ . 1]" 1
171 1 23 ASP CB 1 24 VAL CA . . 10.000 4.663 4.334 4.934 . 0 0 "[ . 1]" 1
172 1 23 ASP CB 1 24 VAL CG2 . . 8.500 6.001 5.437 7.304 . 0 0 "[ . 1]" 1
173 1 23 ASP CG 1 24 VAL CA . . 7.500 5.632 4.313 6.231 . 0 0 "[ . 1]" 1
174 1 23 ASP N 1 24 VAL CB . . 12.000 5.265 4.810 5.714 . 0 0 "[ . 1]" 1
175 1 23 ASP N 1 24 VAL CG2 . . 7.500 5.189 4.115 6.523 . 0 0 "[ . 1]" 1
176 1 23 ASP N 1 25 GLY CA . . 12.000 7.925 7.432 8.470 . 0 0 "[ . 1]" 1
177 1 24 VAL C 1 25 GLY C . . 7.500 3.214 2.943 3.557 . 0 0 "[ . 1]" 1
178 1 24 VAL C 1 25 GLY CA . . 7.500 2.418 2.418 2.419 . 0 0 "[ . 1]" 1
179 1 24 VAL C 1 25 GLY N . . 12.000 1.330 1.329 1.331 . 0 0 "[ . 1]" 1
180 1 24 VAL C 1 27 ASN CA . . 8.500 6.150 5.489 6.898 . 0 0 "[ . 1]" 1
181 1 24 VAL CA 1 25 GLY CA . . 7.500 3.791 3.790 3.792 . 0 0 "[ . 1]" 1
182 1 24 VAL CA 1 26 SER CA . . 10.000 6.075 5.762 6.566 . 0 0 "[ . 1]" 1
183 1 24 VAL CA 1 26 SER CB . . 8.500 7.347 7.054 7.808 . 0 0 "[ . 1]" 1
184 1 24 VAL CB 1 25 GLY CA . . 8.000 4.532 4.269 4.778 . 0 0 "[ . 1]" 1
185 1 24 VAL CB 1 26 SER C . . 10.000 5.535 5.210 6.227 . 0 0 "[ . 1]" 1
186 1 24 VAL CB 1 26 SER CB . . 10.000 7.194 6.805 7.705 . 0 0 "[ . 1]" 1
187 1 24 VAL CB 1 28 LYS N . . 12.000 7.592 7.181 8.224 . 0 0 "[ . 1]" 1
188 1 24 VAL CG1 1 25 GLY CA . . 8.500 5.159 4.215 5.985 . 0 0 "[ . 1]" 1
189 1 24 VAL CG1 1 26 SER N . . 7.500 5.295 3.830 6.732 . 0 0 "[ . 1]" 1
190 1 24 VAL CG2 1 27 ASN CB . . 10.000 4.564 3.616 5.534 . 0 0 "[ . 1]" 1
191 1 24 VAL CG2 1 30 ALA N . . 12.000 10.249 9.538 11.200 . 0 0 "[ . 1]" 1
192 1 25 GLY C 1 26 SER CA . . 8.500 2.434 2.434 2.435 . 0 0 "[ . 1]" 1
193 1 25 GLY C 1 26 SER CB . . 7.500 3.412 3.341 3.498 . 0 0 "[ . 1]" 1
194 1 25 GLY CA 1 26 SER CA . . 7.500 3.797 3.796 3.798 . 0 0 "[ . 1]" 1
195 1 25 GLY CA 1 26 SER CB . . 7.500 4.646 4.601 4.701 . 0 0 "[ . 1]" 1
196 1 26 SER C 1 27 ASN CA . . 7.500 2.434 2.433 2.435 . 0 0 "[ . 1]" 1
197 1 26 SER C 1 27 ASN CB . . 7.500 3.592 3.526 3.650 . 0 0 "[ . 1]" 1
198 1 26 SER C 1 29 GLY CA . . 10.000 8.484 7.663 8.952 . 0 0 "[ . 1]" 1
199 1 26 SER CA 1 27 ASN C . . 7.500 4.619 4.558 4.676 . 0 0 "[ . 1]" 1
200 1 26 SER CA 1 27 ASN CA . . 8.500 3.804 3.803 3.804 . 0 0 "[ . 1]" 1
201 1 26 SER CA 1 27 ASN CB . . 8.500 4.770 4.727 4.808 . 0 0 "[ . 1]" 1
202 1 26 SER CA 1 29 GLY N . . 12.000 8.582 7.752 9.020 . 0 0 "[ . 1]" 1
203 1 26 SER CB 1 27 ASN C . . 7.500 5.490 5.263 5.632 . 0 0 "[ . 1]" 1
204 1 26 SER CB 1 27 ASN CA . . 7.500 4.881 4.839 4.936 . 0 0 "[ . 1]" 1
205 1 26 SER CB 1 27 ASN CB . . 7.500 6.048 6.002 6.089 . 0 0 "[ . 1]" 1
206 1 26 SER CB 1 27 ASN N . . 7.500 3.657 3.607 3.722 . 0 0 "[ . 1]" 1
207 1 26 SER CB 1 28 LYS CA . . 10.000 6.752 5.798 7.373 . 0 0 "[ . 1]" 1
208 1 26 SER CB 1 28 LYS CB . . 8.500 6.376 5.411 7.052 . 0 0 "[ . 1]" 1
209 1 26 SER N 1 28 LYS CB . . 12.000 7.592 7.079 7.989 . 0 0 "[ . 1]" 1
210 1 27 ASN C 1 28 LYS CA . . 8.000 2.435 2.433 2.435 . 0 0 "[ . 1]" 1
211 1 27 ASN C 1 28 LYS CB . . 7.500 3.378 3.127 3.655 . 0 0 "[ . 1]" 1
212 1 27 ASN C 1 28 LYS CD . . 8.000 5.631 5.358 5.923 . 0 0 "[ . 1]" 1
213 1 27 ASN C 1 28 LYS CG . . 10.000 4.627 4.331 4.837 . 0 0 "[ . 1]" 1
214 1 27 ASN C 1 29 GLY CA . . 8.000 5.555 4.751 5.879 . 0 0 "[ . 1]" 1
215 1 27 ASN C 1 42 ALA N . . 12.000 10.218 9.813 10.830 . 0 0 "[ . 1]" 1
216 1 27 ASN CA 1 28 LYS C . . 7.500 4.745 4.551 4.844 . 0 0 "[ . 1]" 1
217 1 27 ASN CA 1 28 LYS CA . . 7.500 3.804 3.803 3.805 . 0 0 "[ . 1]" 1
218 1 27 ASN CA 1 28 LYS CB . . 7.500 4.634 4.476 4.811 . 0 0 "[ . 1]" 1
219 1 27 ASN CA 1 28 LYS CD . . 8.500 6.956 6.795 7.132 . 0 0 "[ . 1]" 1
220 1 27 ASN CA 1 28 LYS CG . . 8.500 5.995 5.783 6.153 . 0 0 "[ . 1]" 1
221 1 27 ASN CA 1 29 GLY CA . . 7.500 6.686 5.945 7.004 . 0 0 "[ . 1]" 1
222 1 27 ASN CA 1 29 GLY N . . 12.000 5.527 4.833 5.831 . 0 0 "[ . 1]" 1
223 1 27 ASN CA 1 30 ALA CA . . 10.000 7.208 6.760 7.704 . 0 0 "[ . 1]" 1
224 1 27 ASN CA 1 30 ALA N . . 12.000 6.736 6.349 7.227 . 0 0 "[ . 1]" 1
225 1 27 ASN CB 1 28 LYS C . . 7.500 5.525 5.362 5.756 . 0 0 "[ . 1]" 1
226 1 27 ASN CB 1 28 LYS CA . . 7.500 4.764 4.572 4.925 . 0 0 "[ . 1]" 1
227 1 27 ASN CB 1 28 LYS CB . . 7.500 5.840 5.564 6.119 . 0 0 "[ . 1]" 1
228 1 27 ASN CB 1 29 GLY CA . . 8.500 7.094 6.390 7.726 . 0 0 "[ . 1]" 1
229 1 27 ASN N 1 28 LYS CA . . 12.000 4.631 4.374 4.813 . 0 0 "[ . 1]" 1
230 1 28 LYS C 1 29 GLY C . . 7.500 3.274 2.945 3.475 . 0 0 "[ . 1]" 1
231 1 28 LYS C 1 29 GLY CA . . 7.500 2.418 2.417 2.419 . 0 0 "[ . 1]" 1
232 1 28 LYS CA 1 29 GLY C . . 7.500 4.584 4.378 4.714 . 0 0 "[ . 1]" 1
233 1 28 LYS CA 1 29 GLY CA . . 7.500 3.792 3.791 3.793 . 0 0 "[ . 1]" 1
234 1 28 LYS CA 1 29 GLY N . . 12.000 2.426 2.426 2.427 . 0 0 "[ . 1]" 1
235 1 28 LYS CA 1 30 ALA CA . . 8.500 6.113 5.719 6.681 . 0 0 "[ . 1]" 1
236 1 28 LYS CA 1 41 ILE CB . . 8.500 7.641 7.415 7.967 . 0 0 "[ . 1]" 1
237 1 28 LYS CA 1 41 ILE CD1 . . 8.500 6.949 5.328 8.036 . 0 0 "[ . 1]" 1
238 1 28 LYS CA 1 41 ILE CG2 . . 8.500 7.174 5.927 8.281 . 0 0 "[ . 1]" 1
239 1 28 LYS CB 1 29 GLY C . . 7.500 5.732 5.404 5.935 . 0 0 "[ . 1]" 1
240 1 28 LYS CB 1 29 GLY CA . . 7.500 4.692 4.517 4.860 . 0 0 "[ . 1]" 1
241 1 28 LYS CB 1 30 ALA CA . . 8.500 7.497 7.117 8.035 . 0 0 "[ . 1]" 1
242 1 28 LYS CB 1 41 ILE CB . . 10.000 7.838 7.648 8.167 . 0 0 "[ . 1]" 1
243 1 28 LYS CB 1 41 ILE CD1 . . 8.500 7.336 5.427 8.504 0.004 7 0 "[ . 1]" 1
244 1 28 LYS CB 1 41 ILE CG2 . . 8.500 7.413 6.160 8.512 0.012 9 0 "[ . 1]" 1
245 1 28 LYS CB 1 41 ILE N . . 12.000 10.042 9.785 10.323 . 0 0 "[ . 1]" 1
246 1 28 LYS CB 1 42 ALA C . . 7.500 6.461 5.896 7.496 . 0 0 "[ . 1]" 1
247 1 28 LYS CD 1 29 GLY C . . 10.000 6.555 5.499 7.468 . 0 0 "[ . 1]" 1
248 1 28 LYS CD 1 29 GLY CA . . 8.500 5.166 4.044 6.128 . 0 0 "[ . 1]" 1
249 1 28 LYS CD 1 41 ILE CA . . 10.000 7.463 6.429 8.765 . 0 0 "[ . 1]" 1
250 1 28 LYS CD 1 41 ILE CB . . 8.500 7.004 5.925 8.307 . 0 0 "[ . 1]" 1
251 1 28 LYS CD 1 41 ILE CD1 . . 10.000 7.000 4.008 9.492 . 0 0 "[ . 1]" 1
252 1 28 LYS CD 1 41 ILE CG1 . . 10.000 7.438 5.024 9.251 . 0 0 "[ . 1]" 1
253 1 28 LYS CD 1 41 ILE CG2 . . 8.500 6.683 4.471 8.420 . 0 0 "[ . 1]" 1
254 1 28 LYS CE 1 29 GLY C . . 10.000 7.045 5.579 8.173 . 0 0 "[ . 1]" 1
255 1 28 LYS CE 1 29 GLY CA . . 8.500 5.614 4.136 6.825 . 0 0 "[ . 1]" 1
256 1 28 LYS CE 1 30 ALA N . . 12.000 7.703 6.272 9.157 . 0 0 "[ . 1]" 1
257 1 28 LYS CE 1 41 ILE C . . 10.000 6.502 5.793 7.643 . 0 0 "[ . 1]" 1
258 1 28 LYS CE 1 41 ILE CA . . 10.000 7.015 5.877 8.354 . 0 0 "[ . 1]" 1
259 1 28 LYS CE 1 41 ILE CB . . 8.500 6.738 5.350 8.218 . 0 0 "[ . 1]" 1
260 1 28 LYS CE 1 41 ILE CD1 . . 10.000 7.131 4.276 9.652 . 0 0 "[ . 1]" 1
261 1 28 LYS CE 1 41 ILE CG2 . . 8.500 6.485 4.893 8.175 . 0 0 "[ . 1]" 1
262 1 28 LYS CG 1 29 GLY C . . 10.000 6.004 5.488 6.578 . 0 0 "[ . 1]" 1
263 1 28 LYS CG 1 29 GLY CA . . 8.500 4.718 4.225 5.326 . 0 0 "[ . 1]" 1
264 1 28 LYS CG 1 41 ILE C . . 8.000 7.506 6.987 7.978 . 0 0 "[ . 1]" 1
265 1 28 LYS CG 1 41 ILE CA . . 8.500 7.865 7.358 8.274 . 0 0 "[ . 1]" 1
266 1 28 LYS CG 1 41 ILE CB . . 8.500 7.243 6.603 7.763 . 0 0 "[ . 1]" 1
267 1 28 LYS CG 1 41 ILE CD1 . . 8.500 7.028 5.300 8.502 0.002 3 0 "[ . 1]" 1
268 1 28 LYS CG 1 41 ILE CG2 . . 8.500 6.842 5.663 8.125 . 0 0 "[ . 1]" 1
269 1 28 LYS NZ 1 42 ALA C . . 4.700 4.333 4.000 4.685 . 0 0 "[ . 1]" 1
270 1 29 GLY C 1 30 ALA C . . 10.000 3.457 3.265 3.664 . 0 0 "[ . 1]" 1
271 1 29 GLY C 1 30 ALA CA . . 7.500 2.433 2.432 2.434 . 0 0 "[ . 1]" 1
272 1 29 GLY C 1 30 ALA CB . . 7.500 3.465 3.209 3.634 . 0 0 "[ . 1]" 1
273 1 29 GLY C 1 31 ILE CB . . 10.000 5.623 5.164 6.163 . 0 0 "[ . 1]" 1
274 1 29 GLY C 1 31 ILE CG1 . . 8.500 6.003 4.527 7.610 . 0 0 "[ . 1]" 1
275 1 29 GLY C 1 31 ILE CG2 . . 8.500 6.355 5.149 7.496 . 0 0 "[ . 1]" 1
276 1 29 GLY C 1 41 ILE CA . . 10.000 6.680 6.400 6.962 . 0 0 "[ . 1]" 1
277 1 29 GLY C 1 41 ILE CB . . 10.000 5.305 5.120 5.456 . 0 0 "[ . 1]" 1
278 1 29 GLY C 1 41 ILE CD1 . . 8.500 4.276 3.845 4.660 . 0 0 "[ . 1]" 1
279 1 29 GLY C 1 41 ILE CG1 . . 8.500 4.809 4.385 5.029 . 0 0 "[ . 1]" 1
280 1 29 GLY C 1 41 ILE CG2 . . 8.500 4.911 4.266 5.851 . 0 0 "[ . 1]" 1
281 1 29 GLY CA 1 30 ALA CA . . 7.500 3.796 3.794 3.797 . 0 0 "[ . 1]" 1
282 1 29 GLY CA 1 30 ALA CB . . 7.500 4.681 4.517 4.791 . 0 0 "[ . 1]" 1
283 1 29 GLY CA 1 30 ALA N . . 12.000 2.419 2.418 2.421 . 0 0 "[ . 1]" 1
284 1 29 GLY CA 1 31 ILE CA . . 7.500 6.565 6.163 7.016 . 0 0 "[ . 1]" 1
285 1 29 GLY CA 1 31 ILE CB . . 7.500 6.581 6.150 7.078 . 0 0 "[ . 1]" 1
286 1 29 GLY CA 1 31 ILE CG1 . . 10.000 6.787 5.272 8.429 . 0 0 "[ . 1]" 1
287 1 29 GLY CA 1 41 ILE CA . . 8.500 5.845 5.647 6.018 . 0 0 "[ . 1]" 1
288 1 29 GLY CA 1 41 ILE CB . . 8.500 4.606 4.359 4.762 . 0 0 "[ . 1]" 1
289 1 29 GLY CA 1 41 ILE CD1 . . 8.000 3.840 3.287 4.320 . 0 0 "[ . 1]" 1
290 1 29 GLY CA 1 41 ILE CG1 . . 8.500 4.330 3.405 4.683 . 0 0 "[ . 1]" 1
291 1 29 GLY CA 1 41 ILE CG2 . . 8.500 4.205 3.285 5.286 . 0 0 "[ . 1]" 1
292 1 29 GLY CA 1 41 ILE N . . 12.000 6.951 6.736 7.105 . 0 0 "[ . 1]" 1
293 1 29 GLY CA 1 42 ALA CA . . 10.000 6.843 6.551 7.182 . 0 0 "[ . 1]" 1
294 1 29 GLY CA 1 42 ALA CB . . 7.500 7.489 7.364 7.523 0.023 2 0 "[ . 1]" 1
295 1 29 GLY N 1 30 ALA CA . . 12.000 4.359 4.179 4.620 . 0 0 "[ . 1]" 1
296 1 30 ALA C 1 31 ILE C . . 7.500 3.599 3.496 3.692 . 0 0 "[ . 1]" 1
297 1 30 ALA C 1 31 ILE CA . . 7.500 2.433 2.433 2.433 . 0 0 "[ . 1]" 1
298 1 30 ALA C 1 31 ILE CB . . 7.500 3.360 3.173 3.499 . 0 0 "[ . 1]" 1
299 1 30 ALA C 1 31 ILE CD1 . . 7.500 4.519 3.225 5.796 . 0 0 "[ . 1]" 1
300 1 30 ALA C 1 31 ILE CG1 . . 7.500 3.958 3.221 4.765 . 0 0 "[ . 1]" 1
301 1 30 ALA C 1 31 ILE CG2 . . 7.500 4.351 3.894 4.721 . 0 0 "[ . 1]" 1
302 1 30 ALA C 1 31 ILE N . . 12.000 1.329 1.328 1.330 . 0 0 "[ . 1]" 1
303 1 30 ALA CA 1 31 ILE C . . 7.500 4.782 4.715 4.844 . 0 0 "[ . 1]" 1
304 1 30 ALA CA 1 31 ILE CA . . 7.500 3.803 3.802 3.803 . 0 0 "[ . 1]" 1
305 1 30 ALA CA 1 31 ILE CB . . 7.500 4.634 4.517 4.722 . 0 0 "[ . 1]" 1
306 1 30 ALA CA 1 31 ILE CD1 . . 7.500 5.752 3.946 7.093 . 0 0 "[ . 1]" 1
307 1 30 ALA CA 1 31 ILE CG1 . . 7.500 5.221 4.374 6.117 . 0 0 "[ . 1]" 1
308 1 30 ALA CA 1 31 ILE CG2 . . 7.500 5.515 4.873 6.084 . 0 0 "[ . 1]" 1
309 1 30 ALA CA 1 31 ILE N . . 12.000 2.425 2.424 2.426 . 0 0 "[ . 1]" 1
310 1 30 ALA CA 1 32 ILE CB . . 10.000 7.177 6.917 7.565 . 0 0 "[ . 1]" 1
311 1 30 ALA CB 1 31 ILE C . . 10.000 5.510 5.294 5.594 . 0 0 "[ . 1]" 1
312 1 30 ALA CB 1 31 ILE CB . . 7.500 5.818 5.622 5.974 . 0 0 "[ . 1]" 1
313 1 30 ALA CB 1 31 ILE N . . 7.500 3.470 3.321 3.602 . 0 0 "[ . 1]" 1
314 1 30 ALA N 1 32 ILE CG2 . . 12.000 8.802 8.169 10.121 . 0 0 "[ . 1]" 1
315 1 30 ALA N 1 33 GLY CA . . 12.000 11.392 11.203 11.528 . 0 0 "[ . 1]" 1
316 1 30 ALA N 1 40 VAL CG1 . . 12.000 11.404 10.628 12.037 0.037 9 0 "[ . 1]" 1
317 1 31 ILE C 1 32 ILE CA . . 7.500 2.433 2.432 2.433 . 0 0 "[ . 1]" 1
318 1 31 ILE C 1 32 ILE CB . . 7.500 3.415 3.382 3.462 . 0 0 "[ . 1]" 1
319 1 31 ILE C 1 32 ILE CD1 . . 8.500 5.250 3.479 5.770 . 0 0 "[ . 1]" 1
320 1 31 ILE C 1 32 ILE CG1 . . 8.500 4.437 3.213 4.758 . 0 0 "[ . 1]" 1
321 1 31 ILE CA 1 32 ILE N . . 6.500 2.424 2.424 2.426 . 0 0 "[ . 1]" 1
322 1 31 ILE CA 1 36 VAL CG1 . . 10.000 7.734 7.242 8.582 . 0 0 "[ . 1]" 1
323 1 31 ILE CA 1 36 VAL CG2 . . 10.000 7.903 6.967 8.736 . 0 0 "[ . 1]" 1
324 1 31 ILE CB 1 32 ILE CB . . 8.000 5.761 5.650 5.836 . 0 0 "[ . 1]" 1
325 1 31 ILE CB 1 32 ILE N . . 12.000 3.326 3.196 3.423 . 0 0 "[ . 1]" 1
326 1 31 ILE CB 1 36 VAL CB . . 8.500 7.325 6.783 7.875 . 0 0 "[ . 1]" 1
327 1 31 ILE CB 1 36 VAL CG1 . . 10.000 6.862 6.323 7.837 . 0 0 "[ . 1]" 1
328 1 31 ILE CB 1 39 VAL CG1 . . 10.000 5.385 4.399 7.074 . 0 0 "[ . 1]" 1
329 1 31 ILE CD1 1 36 VAL CB . . 10.000 7.264 4.710 9.158 . 0 0 "[ . 1]" 1
330 1 31 ILE CD1 1 36 VAL CG1 . . 10.000 6.797 3.943 8.558 . 0 0 "[ . 1]" 1
331 1 31 ILE CD1 1 36 VAL CG2 . . 8.500 6.978 4.512 8.504 0.004 5 0 "[ . 1]" 1
332 1 31 ILE CG1 1 32 ILE C . . 10.000 5.565 4.387 6.759 . 0 0 "[ . 1]" 1
333 1 31 ILE CG1 1 36 VAL CG1 . . 10.000 6.698 5.030 8.178 . 0 0 "[ . 1]" 1
334 1 31 ILE CG2 1 33 GLY CA . . 8.500 6.367 5.562 7.250 . 0 0 "[ . 1]" 1
335 1 31 ILE CG2 1 36 VAL CB . . 7.500 6.574 5.595 7.512 0.012 9 0 "[ . 1]" 1
336 1 31 ILE CG2 1 36 VAL CG2 . . 8.500 6.373 5.133 7.867 . 0 0 "[ . 1]" 1
337 1 31 ILE N 1 32 ILE C . . 12.000 5.956 5.908 6.011 . 0 0 "[ . 1]" 1
338 1 31 ILE N 1 33 GLY C . . 12.000 9.085 8.958 9.195 . 0 0 "[ . 1]" 1
339 1 31 ILE N 1 40 VAL CG1 . . 12.000 11.498 10.876 11.892 . 0 0 "[ . 1]" 1
340 1 32 ILE C 1 33 GLY CA . . 7.500 2.418 2.417 2.419 . 0 0 "[ . 1]" 1
341 1 32 ILE C 1 34 LEU N . . 12.000 4.618 4.404 4.804 . 0 0 "[ . 1]" 1
342 1 32 ILE CA 1 33 GLY C . . 7.500 4.854 4.837 4.875 . 0 0 "[ . 1]" 1
343 1 32 ILE CA 1 33 GLY CA . . 7.500 3.791 3.790 3.792 . 0 0 "[ . 1]" 1
344 1 32 ILE CA 1 33 GLY N . . 12.000 2.425 2.425 2.426 . 0 0 "[ . 1]" 1
345 1 32 ILE CA 1 34 LEU N . . 12.000 5.850 5.595 6.082 . 0 0 "[ . 1]" 1
346 1 32 ILE CB 1 33 GLY C . . 7.500 5.645 5.555 5.807 . 0 0 "[ . 1]" 1
347 1 32 ILE CB 1 33 GLY CA . . 7.500 4.676 4.638 4.732 . 0 0 "[ . 1]" 1
348 1 32 ILE CD1 1 33 GLY CA . . 8.500 6.018 5.653 6.955 . 0 0 "[ . 1]" 1
349 1 32 ILE CD1 1 34 LEU N . . 12.000 7.256 6.028 8.701 . 0 0 "[ . 1]" 1
350 1 32 ILE CD1 1 35 MET N . . 12.000 10.004 8.764 11.188 . 0 0 "[ . 1]" 1
351 1 32 ILE CG1 1 33 GLY CA . . 8.000 4.746 4.344 6.144 . 0 0 "[ . 1]" 1
352 1 32 ILE CG1 1 34 LEU N . . 12.000 6.171 5.120 7.707 . 0 0 "[ . 1]" 1
353 1 32 ILE CG2 1 33 GLY CA . . 7.500 5.117 4.605 5.328 . 0 0 "[ . 1]" 1
354 1 32 ILE CG2 1 33 GLY N . . 6.500 4.094 3.478 4.303 . 0 0 "[ . 1]" 1
355 1 32 ILE CG2 1 34 LEU C . . 10.000 9.228 7.855 9.857 . 0 0 "[ . 1]" 1
356 1 32 ILE CG2 1 34 LEU CA . . 10.000 8.068 6.579 8.738 . 0 0 "[ . 1]" 1
357 1 32 ILE CG2 1 34 LEU CD2 . . 10.000 7.764 5.290 10.001 0.001 8 0 "[ . 1]" 1
358 1 32 ILE CG2 1 34 LEU N . . 12.000 6.862 5.610 7.480 . 0 0 "[ . 1]" 1
359 1 32 ILE N 1 34 LEU CA . . 12.000 8.216 8.049 8.380 . 0 0 "[ . 1]" 1
360 1 33 GLY C 1 34 LEU C . . 7.500 3.211 2.962 3.575 . 0 0 "[ . 1]" 1
361 1 33 GLY C 1 34 LEU CA . . 7.500 2.434 2.434 2.434 . 0 0 "[ . 1]" 1
362 1 33 GLY C 1 34 LEU CB . . 7.500 3.615 3.380 3.714 . 0 0 "[ . 1]" 1
363 1 33 GLY C 1 34 LEU CD2 . . 7.500 4.463 3.096 5.758 . 0 0 "[ . 1]" 1
364 1 33 GLY C 1 34 LEU CG . . 7.500 4.113 3.429 4.484 . 0 0 "[ . 1]" 1
365 1 33 GLY C 1 36 VAL CA . . 7.500 5.437 4.771 6.017 . 0 0 "[ . 1]" 1
366 1 33 GLY C 1 36 VAL CG1 . . 8.500 4.976 3.732 6.712 . 0 0 "[ . 1]" 1
367 1 33 GLY C 1 36 VAL CG2 . . 10.000 4.852 3.346 6.297 . 0 0 "[ . 1]" 1
368 1 33 GLY CA 1 34 LEU C . . 7.500 4.529 4.373 4.760 . 0 0 "[ . 1]" 1
369 1 33 GLY CA 1 34 LEU CA . . 7.500 3.796 3.795 3.797 . 0 0 "[ . 1]" 1
370 1 33 GLY CA 1 34 LEU CB . . 7.500 4.781 4.626 4.845 . 0 0 "[ . 1]" 1
371 1 33 GLY CA 1 34 LEU CD1 . . 8.500 5.386 4.546 6.221 . 0 0 "[ . 1]" 1
372 1 33 GLY CA 1 34 LEU CD2 . . 7.500 5.269 4.052 6.800 . 0 0 "[ . 1]" 1
373 1 33 GLY CA 1 34 LEU CG . . 7.500 5.123 4.508 5.463 . 0 0 "[ . 1]" 1
374 1 33 GLY CA 1 35 MET C . . 10.000 5.642 5.163 6.179 . 0 0 "[ . 1]" 1
375 1 33 GLY CA 1 35 MET CB . . 8.500 6.867 6.505 7.317 . 0 0 "[ . 1]" 1
376 1 33 GLY CA 1 35 MET CG . . 8.500 7.572 6.280 8.560 0.060 7 0 "[ . 1]" 1
377 1 33 GLY CA 1 35 MET N . . 12.000 4.629 4.236 5.376 . 0 0 "[ . 1]" 1
378 1 33 GLY CA 1 36 VAL CA . . 8.000 5.614 4.932 6.093 . 0 0 "[ . 1]" 1
379 1 33 GLY CA 1 36 VAL CB . . 8.500 4.668 4.025 5.072 . 0 0 "[ . 1]" 1
380 1 33 GLY CA 1 36 VAL CG1 . . 8.500 4.661 3.606 6.122 . 0 0 "[ . 1]" 1
381 1 33 GLY CA 1 36 VAL CG2 . . 7.500 4.539 3.688 5.909 . 0 0 "[ . 1]" 1
382 1 33 GLY N 1 34 LEU CG . . 6.500 5.875 5.487 6.054 . 0 0 "[ . 1]" 1
383 1 33 GLY N 1 35 MET CB . . 12.000 8.195 7.859 8.579 . 0 0 "[ . 1]" 1
384 1 34 LEU C 1 35 MET C . . 7.500 3.498 3.000 3.606 . 0 0 "[ . 1]" 1
385 1 34 LEU C 1 35 MET CA . . 7.500 2.434 2.433 2.434 . 0 0 "[ . 1]" 1
386 1 34 LEU C 1 35 MET CB . . 7.500 3.363 3.000 3.459 . 0 0 "[ . 1]" 1
387 1 34 LEU C 1 35 MET CG . . 7.500 4.041 3.626 4.600 . 0 0 "[ . 1]" 1
388 1 34 LEU C 1 36 VAL CA . . 8.000 5.130 4.752 5.434 . 0 0 "[ . 1]" 1
389 1 34 LEU C 1 36 VAL CB . . 8.000 5.471 4.885 5.726 . 0 0 "[ . 1]" 1
390 1 34 LEU C 1 36 VAL CG1 . . 10.000 5.898 5.150 7.025 . 0 0 "[ . 1]" 1
391 1 34 LEU CA 1 35 MET C . . 7.500 4.715 4.406 4.784 . 0 0 "[ . 1]" 1
392 1 34 LEU CA 1 35 MET CA . . 7.500 3.804 3.802 3.805 . 0 0 "[ . 1]" 1
393 1 34 LEU CA 1 35 MET CB . . 7.500 4.625 4.398 4.685 . 0 0 "[ . 1]" 1
394 1 34 LEU CA 1 35 MET CG . . 7.500 5.223 4.842 5.986 . 0 0 "[ . 1]" 1
395 1 34 LEU CA 1 36 VAL CG1 . . 10.000 6.382 5.548 7.470 . 0 0 "[ . 1]" 1
396 1 34 LEU CB 1 35 MET C . . 7.500 5.577 5.482 5.652 . 0 0 "[ . 1]" 1
397 1 34 LEU CB 1 35 MET CA . . 7.500 4.485 4.402 4.641 . 0 0 "[ . 1]" 1
398 1 34 LEU CB 1 35 MET CB . . 7.500 4.850 4.786 4.947 . 0 0 "[ . 1]" 1
399 1 34 LEU CB 1 35 MET CE . . 8.500 7.071 6.309 7.869 . 0 0 "[ . 1]" 1
400 1 34 LEU CB 1 35 MET N . . 12.000 3.170 3.064 3.369 . 0 0 "[ . 1]" 1
401 1 34 LEU CD1 1 35 MET CA . . 8.500 6.530 6.222 6.748 . 0 0 "[ . 1]" 1
402 1 34 LEU CD1 1 35 MET CB . . 10.000 6.943 6.495 7.288 . 0 0 "[ . 1]" 1
403 1 34 LEU CD2 1 35 MET CA . . 7.500 6.711 6.268 6.958 . 0 0 "[ . 1]" 1
404 1 34 LEU CD2 1 35 MET CB . . 8.500 7.073 6.651 7.232 . 0 0 "[ . 1]" 1
405 1 34 LEU CG 1 35 MET CA . . 7.500 5.972 5.875 6.038 . 0 0 "[ . 1]" 1
406 1 34 LEU CG 1 35 MET CB . . 8.500 6.338 6.266 6.438 . 0 0 "[ . 1]" 1
407 1 34 LEU CG 1 35 MET CE . . 10.000 8.314 7.405 9.322 . 0 0 "[ . 1]" 1
408 1 34 LEU CG 1 35 MET CG . . 10.000 6.722 6.131 7.785 . 0 0 "[ . 1]" 1
409 1 34 LEU N 1 35 MET C . . 12.000 4.740 4.684 4.963 . 0 0 "[ . 1]" 1
410 1 34 LEU N 1 35 MET CA . . 12.000 4.249 4.165 4.769 . 0 0 "[ . 1]" 1
411 1 34 LEU N 1 35 MET CG . . 12.000 5.860 5.068 6.852 . 0 0 "[ . 1]" 1
412 1 34 LEU N 1 36 VAL CG1 . . 6.500 5.569 4.689 6.555 0.055 3 0 "[ . 1]" 1
413 1 34 LEU N 1 36 VAL CG2 . . 12.000 5.390 4.040 7.108 . 0 0 "[ . 1]" 1
414 1 35 MET C 1 36 VAL CA . . 8.000 2.434 2.433 2.435 . 0 0 "[ . 1]" 1
415 1 35 MET C 1 36 VAL CG1 . . 7.500 4.192 3.165 4.781 . 0 0 "[ . 1]" 1
416 1 35 MET C 1 36 VAL CG2 . . 10.000 4.111 3.335 4.836 . 0 0 "[ . 1]" 1
417 1 35 MET CA 1 36 VAL CA . . 7.500 3.805 3.804 3.806 . 0 0 "[ . 1]" 1
418 1 35 MET CA 1 36 VAL CG1 . . 7.500 5.332 4.391 6.118 . 0 0 "[ . 1]" 1
419 1 35 MET CA 1 36 VAL CG2 . . 7.500 5.236 4.404 6.163 . 0 0 "[ . 1]" 1
420 1 35 MET CB 1 36 VAL CA . . 8.500 4.917 4.860 4.935 . 0 0 "[ . 1]" 1
421 1 35 MET CB 1 36 VAL CG1 . . 8.500 6.517 5.411 7.176 . 0 0 "[ . 1]" 1
422 1 35 MET CB 1 36 VAL CG2 . . 8.500 6.377 5.457 7.270 . 0 0 "[ . 1]" 1
423 1 35 MET CB 1 37 GLY CA . . 8.500 7.687 7.199 8.032 . 0 0 "[ . 1]" 1
424 1 35 MET CB 2 15 GLN C . . 8.500 17.867 17.208 18.541 10.041 9 10 [*****-**+*] 1
425 1 35 MET CB 2 15 GLN CG . . 8.500 16.416 14.876 17.810 9.310 9 10 [******-*+*] 1
426 1 35 MET CB 2 17 LEU CB . . 8.500 14.421 13.718 14.791 6.291 5 10 [****+*-***] 1
427 1 35 MET CB 2 17 LEU CD1 . . 10.000 13.363 11.863 13.988 3.988 8 10 [*****-*+**] 1
428 1 35 MET CB 2 17 LEU CD2 . . 10.000 13.937 13.272 14.655 4.655 5 10 [**-*+*****] 1
429 1 35 MET CB 2 17 LEU CG . . 8.500 13.514 12.919 13.889 5.389 5 10 [****+*-***] 1
430 1 35 MET CE 2 15 GLN C . . 10.000 18.954 17.665 19.932 9.932 7 10 [******+*-*] 1
431 1 35 MET CE 2 15 GLN CA . . 8.500 18.851 17.593 19.812 11.312 7 10 [******+*-*] 1
432 1 35 MET CE 2 15 GLN CB . . 8.500 17.475 16.162 18.435 9.935 7 10 [******+*-*] 1
433 1 35 MET CE 2 15 GLN CD . . 10.000 16.763 15.401 18.246 8.246 2 10 [*+******-*] 1
434 1 35 MET CE 2 15 GLN CG . . 8.500 17.094 15.908 17.956 9.456 4 10 [***+*****-] 1
435 1 35 MET CE 2 16 LYS C . . 10.000 19.048 17.599 19.803 9.803 2 10 [*+******-*] 1
436 1 35 MET CE 2 17 LEU C . . 10.000 18.362 17.309 19.066 9.066 7 10 [******+*-*] 1
437 1 35 MET CE 2 17 LEU CA . . 10.000 17.776 16.445 18.555 8.555 7 10 [******+*-*] 1
438 1 35 MET CE 2 17 LEU CB . . 8.500 16.266 14.971 17.026 8.526 7 10 [******+*-*] 1
439 1 35 MET CE 2 17 LEU CD1 . . 8.500 15.577 14.394 16.441 7.941 8 10 [**-****+**] 1
440 1 35 MET CE 2 17 LEU CD2 . . 8.500 15.941 14.431 17.254 8.754 7 10 [******+*-*] 1
441 1 35 MET CE 2 17 LEU CG . . 8.500 15.535 14.243 16.380 7.880 7 10 [******+*-*] 1
442 1 35 MET CE 2 17 LEU N . . 7.500 18.398 16.980 19.139 11.639 7 10 [******+*-*] 1
443 1 35 MET CG 1 36 VAL C . . 7.500 6.528 5.790 7.019 . 0 0 "[ . 1]" 1
444 1 35 MET CG 1 36 VAL CA . . 8.500 5.669 5.155 6.262 . 0 0 "[ . 1]" 1
445 1 35 MET CG 1 36 VAL CB . . 8.500 6.677 6.032 7.294 . 0 0 "[ . 1]" 1
446 1 35 MET CG 1 36 VAL CG1 . . 8.500 7.323 5.380 8.564 0.064 9 0 "[ . 1]" 1
447 1 35 MET CG 1 36 VAL CG2 . . 10.000 7.163 6.207 8.061 . 0 0 "[ . 1]" 1
448 1 35 MET CG 1 37 GLY CA . . 8.500 8.218 7.216 8.511 0.011 2 0 "[ . 1]" 1
449 1 35 MET CG 2 15 GLN C . . 8.500 17.968 17.408 18.661 10.161 7 10 [**-***+***] 1
450 1 35 MET CG 2 17 LEU CB . . 8.500 14.713 14.229 15.471 6.971 6 10 [*****+**-*] 1
451 1 35 MET CG 2 17 LEU CD1 . . 10.000 13.764 12.419 14.423 4.423 8 10 [**-****+**] 1
452 1 35 MET CG 2 17 LEU CD2 . . 8.500 14.288 13.345 15.115 6.615 7 10 [**-***+***] 1
453 1 35 MET N 1 36 VAL CG2 . . 12.000 5.187 4.211 6.352 . 0 0 "[ . 1]" 1
454 1 35 MET N 2 15 GLN CD . . 12.000 15.233 12.646 16.388 4.388 9 10 [******-*+*] 1
455 1 36 VAL C 1 37 GLY C . . 7.500 3.506 3.327 3.616 . 0 0 "[ . 1]" 1
456 1 36 VAL C 1 37 GLY CA . . 8.500 2.418 2.417 2.419 . 0 0 "[ . 1]" 1
457 1 36 VAL CA 1 37 GLY CA . . 7.500 3.791 3.789 3.792 . 0 0 "[ . 1]" 1
458 1 36 VAL CA 1 37 GLY N . . 12.000 2.425 2.423 2.426 . 0 0 "[ . 1]" 1
459 1 36 VAL CB 1 37 GLY C . . 10.000 5.202 5.094 5.332 . 0 0 "[ . 1]" 1
460 1 36 VAL CB 1 37 GLY CA . . 7.500 4.608 4.481 4.809 . 0 0 "[ . 1]" 1
461 1 36 VAL CG1 1 37 GLY C . . 10.000 5.455 4.536 6.547 . 0 0 "[ . 1]" 1
462 1 36 VAL CG1 1 37 GLY CA . . 7.500 5.044 4.349 5.972 . 0 0 "[ . 1]" 1
463 1 36 VAL CG1 1 39 VAL CB . . 8.000 6.088 5.306 7.902 . 0 0 "[ . 1]" 1
464 1 36 VAL CG2 1 37 GLY C . . 7.500 5.579 4.330 6.774 . 0 0 "[ . 1]" 1
465 1 36 VAL CG2 1 37 GLY N . . 6.500 3.968 3.046 4.873 . 0 0 "[ . 1]" 1
466 1 37 GLY CA 1 38 GLY CA . . 8.500 3.784 3.783 3.785 . 0 0 "[ . 1]" 1
467 1 37 GLY CA 1 39 VAL CB . . 8.000 6.120 5.773 6.603 . 0 0 "[ . 1]" 1
468 1 37 GLY N 1 39 VAL CB . . 12.000 6.391 6.180 6.772 . 0 0 "[ . 1]" 1
469 1 37 GLY N 1 39 VAL CG1 . . 7.500 6.780 5.261 7.503 0.003 5 0 "[ . 1]" 1
470 1 39 VAL CB 1 41 ILE CB . . 8.500 6.812 6.531 7.062 . 0 0 "[ . 1]" 1
471 1 40 VAL C 1 41 ILE CB . . 10.000 3.389 3.274 3.516 . 0 0 "[ . 1]" 1
472 1 40 VAL C 1 41 ILE N . . 12.000 1.329 1.328 1.329 . 0 0 "[ . 1]" 1
473 1 40 VAL C 1 42 ALA C . . 10.000 6.820 6.715 6.976 . 0 0 "[ . 1]" 1
474 1 40 VAL C 1 42 ALA CB . . 10.000 6.656 6.265 6.891 . 0 0 "[ . 1]" 1
475 1 40 VAL CA 1 41 ILE CA . . 7.500 3.802 3.802 3.803 . 0 0 "[ . 1]" 1
476 1 40 VAL CA 1 41 ILE CB . . 7.500 4.652 4.579 4.733 . 0 0 "[ . 1]" 1
477 1 40 VAL CA 1 41 ILE CD1 . . 10.000 6.078 4.665 7.063 . 0 0 "[ . 1]" 1
478 1 40 VAL CA 1 41 ILE CG1 . . 7.500 4.876 4.296 6.045 . 0 0 "[ . 1]" 1
479 1 40 VAL CA 1 41 ILE CG2 . . 7.500 5.280 4.281 6.125 . 0 0 "[ . 1]" 1
480 1 40 VAL CA 1 41 ILE N . . 12.000 2.424 2.423 2.425 . 0 0 "[ . 1]" 1
481 1 40 VAL CB 1 41 ILE C . . 8.000 5.364 5.149 5.537 . 0 0 "[ . 1]" 1
482 1 40 VAL CB 1 41 ILE CB . . 8.500 5.792 5.738 5.854 . 0 0 "[ . 1]" 1
483 1 40 VAL CB 1 41 ILE CD1 . . 8.500 7.335 5.818 7.982 . 0 0 "[ . 1]" 1
484 1 40 VAL CB 1 41 ILE CG1 . . 8.500 6.162 5.633 7.071 . 0 0 "[ . 1]" 1
485 1 40 VAL CB 1 41 ILE CG2 . . 10.000 6.408 5.536 7.138 . 0 0 "[ . 1]" 1
486 1 40 VAL CG2 1 41 ILE CA . . 7.500 4.385 4.296 4.463 . 0 0 "[ . 1]" 1
487 1 40 VAL CG2 1 41 ILE CB . . 7.500 5.727 5.612 5.813 . 0 0 "[ . 1]" 1
488 1 40 VAL CG2 1 41 ILE CD1 . . 8.500 7.385 6.247 7.683 . 0 0 "[ . 1]" 1
489 1 40 VAL CG2 1 41 ILE CG1 . . 10.000 6.278 5.977 6.815 . 0 0 "[ . 1]" 1
490 1 40 VAL CG2 1 41 ILE CG2 . . 10.000 6.425 5.932 6.929 . 0 0 "[ . 1]" 1
491 1 40 VAL CG2 1 41 ILE N . . 6.500 3.321 3.224 3.419 . 0 0 "[ . 1]" 1
492 1 40 VAL CG2 1 42 ALA CA . . 7.500 6.368 5.904 6.854 . 0 0 "[ . 1]" 1
493 1 40 VAL N 1 41 ILE CA . . 12.000 4.740 4.703 4.783 . 0 0 "[ . 1]" 1
494 1 40 VAL N 1 41 ILE CB . . 12.000 5.280 5.119 5.491 . 0 0 "[ . 1]" 1
495 1 40 VAL N 1 41 ILE CD1 . . 12.000 6.440 4.725 7.873 . 0 0 "[ . 1]" 1
496 1 41 ILE C 1 42 ALA C . . 10.000 3.266 3.168 3.392 . 0 0 "[ . 1]" 1
497 1 41 ILE C 1 42 ALA CA . . 8.000 2.433 2.432 2.434 . 0 0 "[ . 1]" 1
498 1 41 ILE CA 1 42 ALA C . . 7.500 4.567 4.505 4.646 . 0 0 "[ . 1]" 1
499 1 41 ILE CA 1 42 ALA CA . . 7.500 3.802 3.802 3.803 . 0 0 "[ . 1]" 1
500 1 41 ILE CA 1 42 ALA CB . . 7.500 4.793 4.744 4.824 . 0 0 "[ . 1]" 1
501 1 41 ILE CA 1 42 ALA N . . 12.000 2.425 2.424 2.426 . 0 0 "[ . 1]" 1
502 1 41 ILE CB 1 42 ALA C . . 7.500 4.776 4.705 4.896 . 0 0 "[ . 1]" 1
503 1 41 ILE CB 1 42 ALA CA . . 7.500 4.469 4.317 4.544 . 0 0 "[ . 1]" 1
504 1 41 ILE CB 1 42 ALA CB . . 10.000 5.548 5.349 5.689 . 0 0 "[ . 1]" 1
505 1 41 ILE CD1 1 42 ALA CA . . 8.500 5.452 3.794 6.995 . 0 0 "[ . 1]" 1
506 1 41 ILE CG1 1 42 ALA CA . . 8.000 5.241 4.338 5.995 . 0 0 "[ . 1]" 1
507 1 41 ILE CG2 1 42 ALA C . . 7.500 5.075 4.127 6.235 . 0 0 "[ . 1]" 1
508 1 41 ILE CG2 1 42 ALA CA . . 7.500 4.924 4.162 5.854 . 0 0 "[ . 1]" 1
509 1 41 ILE CG2 1 42 ALA N . . 6.500 3.702 3.050 4.464 . 0 0 "[ . 1]" 1
510 1 41 ILE N 1 42 ALA CA . . 12.000 4.848 4.819 4.891 . 0 0 "[ . 1]" 1
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