Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608423 | 2n7k RC | 25808 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7k
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 1320
_Distance_constraint_stats_list.Viol_count 905
_Distance_constraint_stats_list.Viol_total 476.083
_Distance_constraint_stats_list.Viol_max 0.799
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0478
_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 MET 0.055 0.012 5 0 "[ . 1 ]"
1 2 LEU 0.163 0.031 8 0 "[ . 1 ]"
1 3 ILE 0.466 0.048 7 0 "[ . 1 ]"
1 4 LYS 0.126 0.020 6 0 "[ . 1 ]"
1 5 VAL 0.650 0.073 2 0 "[ . 1 ]"
1 6 LYS 0.016 0.009 5 0 "[ . 1 ]"
1 7 THR 1.074 0.066 10 0 "[ . 1 ]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 9 THR 0.011 0.006 2 0 "[ . 1 ]"
1 10 GLY 0.099 0.016 4 0 "[ . 1 ]"
1 11 LYS 0.468 0.062 11 0 "[ . 1 ]"
1 12 GLU 0.380 0.062 11 0 "[ . 1 ]"
1 13 ILE 2.316 0.088 8 0 "[ . 1 ]"
1 14 GLU 0.085 0.031 4 0 "[ . 1 ]"
1 15 ILE 3.103 0.233 9 0 "[ . 1 ]"
1 16 ASP 2.442 0.233 9 0 "[ . 1 ]"
1 17 ILE 0.068 0.026 11 0 "[ . 1 ]"
1 18 GLU 0.063 0.023 11 0 "[ . 1 ]"
1 19 PRO 0.006 0.006 9 0 "[ . 1 ]"
1 20 THR 0.624 0.066 2 0 "[ . 1 ]"
1 21 ASP 0.723 0.066 2 0 "[ . 1 ]"
1 22 LYS 0.344 0.030 11 0 "[ . 1 ]"
1 23 VAL 1.700 0.079 11 0 "[ . 1 ]"
1 24 GLU 0.169 0.041 10 0 "[ . 1 ]"
1 25 ARG 0.851 0.090 5 0 "[ . 1 ]"
1 26 ILE 0.472 0.041 6 0 "[ . 1 ]"
1 27 LYS 1.724 0.093 9 0 "[ . 1 ]"
1 28 GLU 0.197 0.034 2 0 "[ . 1 ]"
1 29 ARG 0.415 0.058 10 0 "[ . 1 ]"
1 30 VAL 0.223 0.047 4 0 "[ . 1 ]"
1 31 GLU 0.698 0.099 3 0 "[ . 1 ]"
1 32 GLU 1.303 0.099 3 0 "[ . 1 ]"
1 33 LYS 1.913 0.096 10 0 "[ . 1 ]"
1 34 GLU 0.631 0.087 2 0 "[ . 1 ]"
1 35 GLY 0.021 0.021 2 0 "[ . 1 ]"
1 36 ILE 1.070 0.092 7 0 "[ . 1 ]"
1 37 PRO 0.899 0.092 7 0 "[ . 1 ]"
1 38 PRO 0.392 0.034 2 0 "[ . 1 ]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 40 GLN 1.004 0.133 11 0 "[ . 1 ]"
1 41 GLN 1.023 0.190 11 0 "[ . 1 ]"
1 42 ARG 0.546 0.099 4 0 "[ . 1 ]"
1 43 LEU 0.961 0.086 1 0 "[ . 1 ]"
1 44 ILE 5.304 0.239 9 0 "[ . 1 ]"
1 45 TYR 4.156 0.446 2 0 "[ . 1 ]"
1 46 SER 1.033 0.167 9 0 "[ . 1 ]"
1 47 GLY 0.113 0.028 9 0 "[ . 1 ]"
1 48 LYS 2.807 0.446 2 0 "[ . 1 ]"
1 49 GLN 2.682 0.202 9 0 "[ . 1 ]"
1 50 MET 2.945 0.401 2 0 "[ . 1 ]"
1 51 ASN 0.268 0.044 10 0 "[ . 1 ]"
1 52 ASP 0.354 0.067 2 0 "[ . 1 ]"
1 53 GLU 0.187 0.025 9 0 "[ . 1 ]"
1 54 LYS 0.516 0.028 6 0 "[ . 1 ]"
1 55 THR 2.081 0.087 4 0 "[ . 1 ]"
1 56 ALA 0.774 0.087 4 0 "[ . 1 ]"
1 57 ALA 0.093 0.029 10 0 "[ . 1 ]"
1 58 ASP 0.655 0.047 6 0 "[ . 1 ]"
1 59 TYR 0.447 0.044 10 0 "[ . 1 ]"
1 60 LYS 0.646 0.114 9 0 "[ . 1 ]"
1 61 ILE 1.406 0.114 9 0 "[ . 1 ]"
1 62 LEU 0.180 0.048 7 0 "[ . 1 ]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 64 GLY 0.055 0.012 5 0 "[ . 1 ]"
1 65 SER 0.949 0.066 4 0 "[ . 1 ]"
1 66 VAL 0.703 0.070 10 0 "[ . 1 ]"
1 67 LEU 0.823 0.066 4 0 "[ . 1 ]"
1 68 HIS 0.749 0.107 7 0 "[ . 1 ]"
1 69 LEU 0.217 0.070 6 0 "[ . 1 ]"
1 70 VAL 2.258 0.220 9 0 "[ . 1 ]"
1 71 LEU 1.581 0.175 6 0 "[ . 1 ]"
1 72 ALA 0.689 0.190 11 0 "[ . 1 ]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 7 ARG 0.073 0.057 11 0 "[ . 1 ]"
2 8 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 9 THR 0.000 0.000 . 0 "[ . 1 ]"
2 11 ARG 0.073 0.057 11 0 "[ . 1 ]"
2 12 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 14 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 15 GLN 0.000 0.000 . 0 "[ . 1 ]"
2 21 TRP 0.000 0.000 . 0 "[ . 1 ]"
2 22 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 27 VAL 6.291 0.799 1 7 "[+-* * ***1 ]"
2 28 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 29 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 30 ILE 6.291 0.799 1 7 "[+-* * ***1 ]"
2 31 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 32 GLN 0.000 0.000 . 0 "[ . 1 ]"
2 37 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 38 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 39 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 40 ILE 1.921 0.287 8 0 "[ . 1 ]"
2 41 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 43 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 44 SER 1.921 0.287 8 0 "[ . 1 ]"
2 45 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 46 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 47 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 48 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 49 SER 0.000 0.000 . 0 "[ . 1 ]"
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 20 THR HA 1 55 THR HB 4.300 . 4.300 3.863 3.712 4.015 . 0 0 "[ . 1 ]" 1
2 1 55 THR HB 1 56 ALA MB 4.600 . 4.600 3.793 3.739 3.828 . 0 0 "[ . 1 ]" 1
3 1 55 THR HB 1 57 ALA MB 5.000 . 5.000 3.621 3.459 3.736 . 0 0 "[ . 1 ]" 1
4 1 7 THR HB 1 9 THR HB 3.900 . 3.900 3.520 3.305 3.729 . 0 0 "[ . 1 ]" 1
5 1 23 VAL HA 1 26 ILE H 4.500 . 4.500 3.419 3.304 3.504 . 0 0 "[ . 1 ]" 1
6 1 26 ILE HA 1 29 ARG HB2 4.800 . 4.800 2.971 2.722 3.137 . 0 0 "[ . 1 ]" 1
7 1 26 ILE HA 1 26 ILE HG12 4.100 . 4.100 2.856 2.760 2.923 . 0 0 "[ . 1 ]" 1
8 1 38 PRO HA 1 41 GLN HE22 4.500 . 4.500 3.977 3.511 4.402 . 0 0 "[ . 1 ]" 1
9 1 38 PRO HA 1 41 GLN HE21 4.400 . 4.400 2.752 2.336 3.588 . 0 0 "[ . 1 ]" 1
10 1 30 VAL HA 1 30 VAL MG2 3.700 . 3.700 2.481 2.386 2.565 . 0 0 "[ . 1 ]" 1
11 1 23 VAL HA 1 23 VAL MG1 3.700 . 3.700 2.344 2.293 2.442 . 0 0 "[ . 1 ]" 1
12 1 17 ILE MG 1 26 ILE HA 4.200 . 4.200 2.814 2.390 3.053 . 0 0 "[ . 1 ]" 1
13 1 30 VAL HA 1 30 VAL MG1 3.700 . 3.700 2.383 2.308 2.475 . 0 0 "[ . 1 ]" 1
14 1 23 VAL HA 1 26 ILE MD 3.500 . 3.500 2.102 2.047 2.201 . 0 0 "[ . 1 ]" 1
15 1 26 ILE HA 1 26 ILE MG 3.400 . 3.400 2.403 2.359 2.429 . 0 0 "[ . 1 ]" 1
16 1 19 PRO HA 1 56 ALA MB 3.400 . 3.400 2.213 2.118 2.261 . 0 0 "[ . 1 ]" 1
17 1 27 LYS HB3 1 38 PRO HA 3.900 . 3.900 2.792 2.450 3.052 . 0 0 "[ . 1 ]" 1
18 1 27 LYS QD 1 38 PRO HA 4.800 . 4.800 3.548 3.064 4.229 . 0 0 "[ . 1 ]" 1
19 1 38 PRO HA 1 41 GLN HG2 5.500 . 5.500 4.821 2.880 5.409 . 0 0 "[ . 1 ]" 1
20 1 38 PRO HA 1 41 GLN HG3 4.100 . 4.100 3.527 2.242 4.054 . 0 0 "[ . 1 ]" 1
21 1 65 SER QB 1 66 VAL HA 4.500 . 4.500 4.292 4.201 4.522 0.022 4 0 "[ . 1 ]" 1
22 1 3 ILE MG 1 65 SER QB 4.300 . 4.300 2.570 2.342 2.728 . 0 0 "[ . 1 ]" 1
23 1 17 ILE MD 1 19 PRO HA 4.800 . 4.800 3.809 3.767 3.847 . 0 0 "[ . 1 ]" 1
24 1 61 ILE HA 1 61 ILE HG12 4.200 . 4.200 2.955 2.778 3.445 . 0 0 "[ . 1 ]" 1
25 1 61 ILE HA 1 61 ILE MD 4.500 . 4.500 3.832 2.482 3.994 . 0 0 "[ . 1 ]" 1
26 1 61 ILE HA 1 61 ILE HG13 4.200 . 4.200 2.974 2.825 3.904 . 0 0 "[ . 1 ]" 1
27 1 61 ILE HA 1 62 LEU QB 4.800 . 4.800 4.174 3.885 4.305 . 0 0 "[ . 1 ]" 1
28 1 61 ILE HA 1 65 SER QB 4.500 . 4.500 3.505 3.290 3.758 . 0 0 "[ . 1 ]" 1
29 1 9 THR HA 1 9 THR MG 3.500 . 3.500 2.222 2.212 2.241 . 0 0 "[ . 1 ]" 1
30 1 31 GLU HG3 1 37 PRO HA 4.100 . 4.100 2.566 2.289 3.035 . 0 0 "[ . 1 ]" 1
31 1 7 THR HB 1 9 THR HA 5.000 . 5.000 4.963 4.858 5.006 0.006 2 0 "[ . 1 ]" 1
32 1 22 LYS QD 1 55 THR HA 4.800 . 4.800 4.081 3.198 4.810 0.010 11 0 "[ . 1 ]" 1
33 1 55 THR HA 1 56 ALA MB 4.700 . 4.700 4.143 4.124 4.168 . 0 0 "[ . 1 ]" 1
34 1 50 MET ME 1 55 THR HA 4.500 . 4.500 4.373 4.102 4.543 0.043 9 0 "[ . 1 ]" 1
35 1 31 GLU HA 1 36 ILE H 4.300 . 4.300 2.364 1.997 3.062 . 0 0 "[ . 1 ]" 1
36 1 31 GLU HA 1 31 GLU HG3 3.900 . 3.900 2.739 2.646 2.855 . 0 0 "[ . 1 ]" 1
37 1 5 VAL HA 1 67 LEU QB 4.100 . 4.100 2.675 2.316 3.009 . 0 0 "[ . 1 ]" 1
38 1 5 VAL HA 1 5 VAL QG 3.300 . 3.300 2.181 2.135 2.319 . 0 0 "[ . 1 ]" 1
39 1 15 ILE HA 1 15 ILE MD 4.600 . 4.600 4.191 4.179 4.198 . 0 0 "[ . 1 ]" 1
40 1 13 ILE HA 1 13 ILE HG13 4.200 . 4.200 2.716 2.665 2.761 . 0 0 "[ . 1 ]" 1
41 1 20 THR HA 1 20 THR MG 3.300 . 3.300 2.556 2.294 3.246 . 0 0 "[ . 1 ]" 1
42 1 20 THR HA 1 57 ALA MB 5.200 . 5.200 3.251 3.078 3.381 . 0 0 "[ . 1 ]" 1
43 1 44 ILE HA 1 44 ILE MD 4.300 . 4.300 2.990 2.366 3.985 . 0 0 "[ . 1 ]" 1
44 1 27 LYS HA 1 30 VAL MG1 5.400 . 5.400 4.078 3.815 4.235 . 0 0 "[ . 1 ]" 1
45 1 27 LYS HA 1 43 LEU MD2 5.600 . 5.600 5.409 4.922 5.595 . 0 0 "[ . 1 ]" 1
46 1 27 LYS HA 1 30 VAL MG2 5.400 . 5.400 2.446 2.201 2.947 . 0 0 "[ . 1 ]" 1
47 1 27 LYS HA 1 30 VAL HB 3.900 . 3.900 2.872 2.502 3.183 . 0 0 "[ . 1 ]" 1
48 1 32 GLU HA 1 32 GLU HG3 4.200 . 4.200 3.416 3.220 3.859 . 0 0 "[ . 1 ]" 1
49 1 23 VAL HB 1 52 ASP HA 3.200 . 3.200 2.462 2.306 2.555 . 0 0 "[ . 1 ]" 1
50 1 39 GLN HA 1 39 GLN QG 3.800 . 3.800 2.348 2.341 2.354 . 0 0 "[ . 1 ]" 1
51 1 25 ARG HA 1 25 ARG HD3 4.000 . 4.000 3.015 2.422 3.750 . 0 0 "[ . 1 ]" 1
52 1 51 ASN HA 1 52 ASP HA 4.500 . 4.500 4.334 4.318 4.350 . 0 0 "[ . 1 ]" 1
53 1 36 ILE HA 1 36 ILE HG13 4.300 . 4.300 2.916 2.784 3.023 . 0 0 "[ . 1 ]" 1
54 1 33 LYS HA 1 33 LYS QG 3.700 . 3.700 2.147 2.081 2.200 . 0 0 "[ . 1 ]" 1
55 1 44 ILE HG13 1 49 GLN HA 5.100 . 5.100 4.955 4.297 5.284 0.184 7 0 "[ . 1 ]" 1
56 1 36 ILE HA 1 36 ILE HG12 4.300 . 4.300 2.855 2.785 2.941 . 0 0 "[ . 1 ]" 1
57 1 36 ILE HA 1 36 ILE MG 3.700 . 3.700 2.413 2.343 2.499 . 0 0 "[ . 1 ]" 1
58 1 36 ILE HA 1 36 ILE MD 4.500 . 4.500 3.963 3.915 3.999 . 0 0 "[ . 1 ]" 1
59 1 45 TYR HA 1 67 LEU HA 4.500 . 4.500 3.847 3.391 4.125 . 0 0 "[ . 1 ]" 1
60 1 44 ILE MG 1 45 TYR HA 4.400 . 4.400 3.598 3.308 3.809 . 0 0 "[ . 1 ]" 1
61 1 45 TYR HA 1 67 LEU QD 5.000 . 5.000 3.755 3.415 4.198 . 0 0 "[ . 1 ]" 1
62 1 5 VAL QG 1 68 HIS HA 4.900 . 4.900 3.330 2.974 3.831 . 0 0 "[ . 1 ]" 1
63 1 6 LYS QD 1 68 HIS HA 5.200 . 5.200 4.125 3.796 4.465 . 0 0 "[ . 1 ]" 1
64 1 67 LEU QB 1 68 HIS HA 5.600 . 5.600 4.222 4.106 4.323 . 0 0 "[ . 1 ]" 1
65 1 4 LYS HA 1 14 GLU HA 3.700 . 3.700 2.910 2.763 3.096 . 0 0 "[ . 1 ]" 1
66 1 22 LYS HA 1 22 LYS QD 4.300 . 4.300 3.009 2.420 3.630 . 0 0 "[ . 1 ]" 1
67 1 2 LEU HA 1 2 LEU MD2 4.700 . 4.700 3.456 2.494 4.003 . 0 0 "[ . 1 ]" 1
68 1 2 LEU HA 1 2 LEU MD1 4.700 . 4.700 3.391 2.183 4.103 . 0 0 "[ . 1 ]" 1
69 1 2 LEU HA 1 3 ILE MG 4.600 . 4.600 4.046 3.990 4.114 . 0 0 "[ . 1 ]" 1
70 1 6 LYS HA 1 12 GLU HA 4.000 . 4.000 2.574 2.264 2.745 . 0 0 "[ . 1 ]" 1
71 1 43 LEU HA 1 44 ILE MD 5.500 . 5.500 4.497 3.624 5.510 0.010 9 0 "[ . 1 ]" 1
72 1 4 LYS HA 1 5 VAL QG 4.100 . 4.100 3.483 3.343 3.786 . 0 0 "[ . 1 ]" 1
73 1 2 LEU HA 1 16 ASP HA 3.900 . 3.900 2.481 2.312 2.790 . 0 0 "[ . 1 ]" 1
74 1 43 LEU HA 1 69 LEU HA 4.400 . 4.400 2.589 2.291 2.769 . 0 0 "[ . 1 ]" 1
75 1 67 LEU HA 1 67 LEU HG 4.200 . 4.200 2.983 2.860 3.147 . 0 0 "[ . 1 ]" 1
76 1 67 LEU HA 1 67 LEU QD 3.700 . 3.700 2.249 2.141 2.377 . 0 0 "[ . 1 ]" 1
77 1 43 LEU MD1 1 69 LEU HA 3.800 . 3.800 3.266 2.771 3.725 . 0 0 "[ . 1 ]" 1
78 1 69 LEU HA 1 69 LEU MD2 4.200 . 4.200 3.378 2.141 3.912 . 0 0 "[ . 1 ]" 1
79 1 43 LEU HA 1 43 LEU MD1 3.400 . 3.400 2.270 2.208 2.368 . 0 0 "[ . 1 ]" 1
80 1 15 ILE MG 1 16 ASP HA 4.800 . 4.800 4.994 4.888 5.033 0.233 9 0 "[ . 1 ]" 1
81 1 16 ASP HA 1 17 ILE MG 5.000 . 5.000 4.157 4.120 4.185 . 0 0 "[ . 1 ]" 1
82 1 33 LYS HA 1 33 LYS QD 3.800 . 3.800 3.789 3.615 3.878 0.078 5 0 "[ . 1 ]" 1
83 1 56 ALA HA 1 61 ILE MD 3.700 . 3.700 2.544 2.178 3.745 0.045 9 0 "[ . 1 ]" 1
84 1 44 ILE MG 1 49 GLN HA 4.400 . 4.400 3.287 2.259 4.403 0.003 9 0 "[ . 1 ]" 1
85 1 22 LYS QD 1 53 GLU HA 3.800 . 3.800 3.352 2.974 3.804 0.004 2 0 "[ . 1 ]" 1
86 1 40 GLN HA 1 72 ALA MB 3.900 . 3.900 2.820 2.188 3.941 0.041 4 0 "[ . 1 ]" 1
87 1 40 GLN HA 1 40 GLN HG3 4.000 . 4.000 3.238 3.061 3.867 . 0 0 "[ . 1 ]" 1
88 1 57 ALA HA 1 60 LYS H 4.100 . 4.100 3.507 3.350 3.588 . 0 0 "[ . 1 ]" 1
89 1 60 LYS HA 1 60 LYS QG 3.700 . 3.700 3.458 3.451 3.477 . 0 0 "[ . 1 ]" 1
90 1 53 GLU HA 1 53 GLU HG3 4.100 . 4.100 3.091 2.931 3.744 . 0 0 "[ . 1 ]" 1
91 1 50 MET HA 1 50 MET ME 3.800 . 3.800 3.832 3.414 4.002 0.202 10 0 "[ . 1 ]" 1
92 1 48 LYS HA 1 48 LYS QG 4.000 . 4.000 2.383 2.360 2.428 . 0 0 "[ . 1 ]" 1
93 1 44 ILE HA 1 49 GLN HA 3.900 . 3.900 3.270 2.597 4.045 0.145 10 0 "[ . 1 ]" 1
94 1 41 GLN HA 1 41 GLN HG2 4.000 . 4.000 2.589 2.382 4.015 0.015 11 0 "[ . 1 ]" 1
95 1 54 LYS HA 1 55 THR MG 4.400 . 4.400 3.506 3.397 3.732 . 0 0 "[ . 1 ]" 1
96 1 37 PRO HA 1 38 PRO HD3 3.400 . 3.400 2.161 1.984 2.401 . 0 0 "[ . 1 ]" 1
97 1 37 PRO HA 1 38 PRO HD2 3.500 . 3.500 2.619 2.338 2.897 . 0 0 "[ . 1 ]" 1
98 1 36 ILE HA 1 37 PRO HD3 3.200 . 3.200 2.664 2.627 2.683 . 0 0 "[ . 1 ]" 1
99 1 36 ILE MG 1 37 PRO HD3 4.100 . 4.100 3.445 3.422 3.492 . 0 0 "[ . 1 ]" 1
100 1 36 ILE HA 1 37 PRO HD2 3.400 . 3.400 2.124 2.109 2.144 . 0 0 "[ . 1 ]" 1
101 1 37 PRO HB3 1 38 PRO HD2 4.500 . 4.500 3.499 3.023 3.794 . 0 0 "[ . 1 ]" 1
102 1 18 GLU HB3 1 19 PRO HD2 3.300 . 3.300 2.475 2.308 2.549 . 0 0 "[ . 1 ]" 1
103 1 18 GLU HB3 1 19 PRO HD3 3.900 . 3.900 3.111 2.938 3.734 . 0 0 "[ . 1 ]" 1
104 1 37 PRO HD2 1 40 GLN HB2 4.000 . 4.000 3.945 3.780 4.015 0.015 5 0 "[ . 1 ]" 1
105 1 18 GLU HB2 1 19 PRO HD2 4.200 . 4.200 4.108 3.879 4.192 . 0 0 "[ . 1 ]" 1
106 1 31 GLU HB2 1 38 PRO HD3 3.900 . 3.900 2.827 2.719 2.892 . 0 0 "[ . 1 ]" 1
107 1 31 GLU HB2 1 38 PRO HD2 4.600 . 4.600 4.499 4.460 4.602 0.002 3 0 "[ . 1 ]" 1
108 1 37 PRO HB2 1 38 PRO HD2 4.500 . 4.500 3.294 2.794 3.651 . 0 0 "[ . 1 ]" 1
109 1 31 GLU HG3 1 38 PRO HD3 4.600 . 4.600 2.867 2.341 3.418 . 0 0 "[ . 1 ]" 1
110 1 18 GLU HA 1 19 PRO HD3 3.300 . 3.300 2.144 2.054 2.467 . 0 0 "[ . 1 ]" 1
111 1 18 GLU HA 1 19 PRO HD2 3.400 . 3.400 3.094 2.438 3.251 . 0 0 "[ . 1 ]" 1
112 1 19 PRO HD2 1 20 THR H 4.300 . 4.300 2.611 2.467 2.944 . 0 0 "[ . 1 ]" 1
113 1 36 ILE MG 1 37 PRO HD2 3.900 . 3.900 2.050 2.025 2.111 . 0 0 "[ . 1 ]" 1
114 1 44 ILE MG 1 47 GLY HA2 4.700 . 4.700 2.811 2.440 3.200 . 0 0 "[ . 1 ]" 1
115 1 44 ILE MG 1 47 GLY HA3 4.700 . 4.700 4.008 3.564 4.463 . 0 0 "[ . 1 ]" 1
116 1 43 LEU MD1 1 67 LEU QB 4.000 . 4.000 2.635 2.230 3.337 . 0 0 "[ . 1 ]" 1
117 1 4 LYS QE 1 66 VAL HA 4.400 . 4.400 4.411 4.405 4.420 0.020 6 0 "[ . 1 ]" 1
118 1 17 ILE HB 1 17 ILE MD 3.600 . 3.600 2.257 2.244 2.264 . 0 0 "[ . 1 ]" 1
119 1 51 ASN HB3 1 52 ASP QB 5.100 . 5.100 4.498 4.218 5.038 . 0 0 "[ . 1 ]" 1
120 1 13 ILE HB 1 14 GLU H 4.400 . 4.400 4.007 3.854 4.077 . 0 0 "[ . 1 ]" 1
121 1 36 ILE H 1 36 ILE HB 4.000 . 4.000 2.794 2.656 2.906 . 0 0 "[ . 1 ]" 1
122 1 44 ILE HB 1 68 HIS HB2 3.900 . 3.900 2.974 2.384 3.912 0.012 10 0 "[ . 1 ]" 1
123 1 23 VAL HA 1 26 ILE HB 3.900 . 3.900 2.991 2.934 3.033 . 0 0 "[ . 1 ]" 1
124 1 31 GLU HG3 1 38 PRO HD2 4.500 . 4.500 4.363 3.707 4.517 0.017 11 0 "[ . 1 ]" 1
125 1 31 GLU HA 1 31 GLU HG2 4.000 . 4.000 2.939 2.764 3.076 . 0 0 "[ . 1 ]" 1
126 1 28 GLU HA 1 28 GLU HG2 4.000 . 4.000 2.786 2.485 3.738 . 0 0 "[ . 1 ]" 1
127 1 32 GLU HA 1 32 GLU HG2 4.200 . 4.200 2.729 2.340 3.709 . 0 0 "[ . 1 ]" 1
128 1 5 VAL QG 1 6 LYS HB2 5.200 . 5.200 4.091 3.885 4.338 . 0 0 "[ . 1 ]" 1
129 1 5 VAL QG 1 6 LYS HB3 5.200 . 5.200 4.671 4.140 4.926 . 0 0 "[ . 1 ]" 1
130 1 40 GLN HA 1 40 GLN HG2 4.000 . 4.000 2.486 2.373 3.059 . 0 0 "[ . 1 ]" 1
131 1 44 ILE HB 1 68 HIS HB3 3.900 . 3.900 3.531 3.077 3.948 0.048 10 0 "[ . 1 ]" 1
132 1 50 MET ME 1 50 MET QG 3.100 . 3.100 2.272 2.101 2.337 . 0 0 "[ . 1 ]" 1
133 1 41 GLN QB 1 69 LEU MD2 4.400 . 4.400 2.338 2.014 2.792 . 0 0 "[ . 1 ]" 1
134 1 43 LEU HG 1 50 MET ME 5.000 . 5.000 4.564 4.076 4.879 . 0 0 "[ . 1 ]" 1
135 1 27 LYS HB3 1 38 PRO HB3 4.100 . 4.100 2.275 2.185 2.324 . 0 0 "[ . 1 ]" 1
136 1 50 MET H 1 50 MET ME 5.400 . 5.400 4.648 3.775 5.085 . 0 0 "[ . 1 ]" 1
137 1 30 VAL HB 1 41 GLN HE22 4.000 . 4.000 2.529 1.701 2.990 . 0 0 "[ . 1 ]" 1
138 1 22 LYS H 1 22 LYS QD 4.700 . 4.700 4.359 4.247 4.452 . 0 0 "[ . 1 ]" 1
139 1 22 LYS QD 1 24 GLU H 5.100 . 5.100 4.195 4.073 4.272 . 0 0 "[ . 1 ]" 1
140 1 25 ARG H 1 25 ARG HB3 3.900 . 3.900 3.346 2.841 3.594 . 0 0 "[ . 1 ]" 1
141 1 44 ILE MD 1 49 GLN QB 4.400 . 4.400 3.246 2.263 4.449 0.049 6 0 "[ . 1 ]" 1
142 1 59 TYR HB2 1 61 ILE HG13 5.300 . 5.300 2.765 2.640 3.654 . 0 0 "[ . 1 ]" 1
143 1 26 ILE HA 1 26 ILE HG13 4.100 . 4.100 2.789 2.735 2.946 . 0 0 "[ . 1 ]" 1
144 1 28 GLU HA 1 38 PRO HG3 3.500 . 3.500 2.991 2.341 3.534 0.034 2 0 "[ . 1 ]" 1
145 1 31 GLU HB2 1 37 PRO HA 4.500 . 4.500 3.868 3.386 4.182 . 0 0 "[ . 1 ]" 1
146 1 71 LEU H 1 71 LEU HG 4.700 . 4.700 4.433 3.737 4.769 0.069 6 0 "[ . 1 ]" 1
147 1 29 ARG H 1 29 ARG HG3 4.900 . 4.900 3.912 3.235 4.496 . 0 0 "[ . 1 ]" 1
148 1 29 ARG H 1 29 ARG HG2 4.900 . 4.900 3.418 2.302 4.650 . 0 0 "[ . 1 ]" 1
149 1 26 ILE HB 1 43 LEU MD2 4.300 . 4.300 3.351 2.881 3.678 . 0 0 "[ . 1 ]" 1
150 1 3 ILE HB 1 67 LEU QD 4.100 . 4.100 2.760 2.580 2.961 . 0 0 "[ . 1 ]" 1
151 1 23 VAL HA 1 23 VAL MG2 3.700 . 3.700 2.556 2.446 2.610 . 0 0 "[ . 1 ]" 1
152 1 27 LYS HB3 1 27 LYS QD 3.800 . 3.800 2.223 2.134 2.453 . 0 0 "[ . 1 ]" 1
153 1 61 ILE MD 1 67 LEU QD 3.400 . 3.400 2.024 1.939 2.141 . 0 0 "[ . 1 ]" 1
154 1 61 ILE MD 1 61 ILE MG 3.500 . 3.500 2.293 2.084 2.389 . 0 0 "[ . 1 ]" 1
155 1 56 ALA MB 1 61 ILE MD 3.900 . 3.900 2.935 2.421 3.903 0.003 9 0 "[ . 1 ]" 1
156 1 59 TYR HB3 1 61 ILE MD 4.100 . 4.100 2.550 2.224 2.703 . 0 0 "[ . 1 ]" 1
157 1 59 TYR HB2 1 61 ILE MD 4.100 . 4.100 2.093 2.042 2.239 . 0 0 "[ . 1 ]" 1
158 1 44 ILE MD 1 70 VAL HB 4.500 . 4.500 4.091 2.794 4.550 0.050 1 0 "[ . 1 ]" 1
159 1 26 ILE H 1 26 ILE MD 4.200 . 4.200 3.196 3.083 3.359 . 0 0 "[ . 1 ]" 1
160 1 34 GLU HB3 1 36 ILE MD 5.000 . 5.000 2.429 2.243 2.766 . 0 0 "[ . 1 ]" 1
161 1 34 GLU HB2 1 36 ILE MD 5.000 . 5.000 3.441 2.933 3.941 . 0 0 "[ . 1 ]" 1
162 1 36 ILE MD 1 41 GLN HG2 5.200 . 5.200 3.969 3.691 4.638 . 0 0 "[ . 1 ]" 1
163 1 36 ILE HB 1 36 ILE MD 3.500 . 3.500 2.320 2.292 2.360 . 0 0 "[ . 1 ]" 1
164 1 36 ILE MD 1 36 ILE MG 3.900 . 3.900 2.213 2.127 2.288 . 0 0 "[ . 1 ]" 1
165 1 3 ILE HB 1 3 ILE MD 3.500 . 3.500 2.265 2.173 2.294 . 0 0 "[ . 1 ]" 1
166 1 3 ILE MD 1 67 LEU HG 3.700 . 3.700 3.730 3.705 3.748 0.048 7 0 "[ . 1 ]" 1
167 1 17 ILE MD 1 56 ALA MB 3.100 . 3.100 2.874 2.708 3.027 . 0 0 "[ . 1 ]" 1
168 1 3 ILE MG 1 61 ILE MG 3.700 . 3.700 2.519 2.124 2.791 . 0 0 "[ . 1 ]" 1
169 1 61 ILE MG 1 67 LEU HG 3.800 . 3.800 3.028 2.758 3.401 . 0 0 "[ . 1 ]" 1
170 1 61 ILE MG 1 65 SER QB 3.600 . 3.600 1.978 1.961 2.011 . 0 0 "[ . 1 ]" 1
171 1 7 THR HA 1 7 THR MG 3.300 . 3.300 2.176 2.152 2.193 . 0 0 "[ . 1 ]" 1
172 1 55 THR HA 1 55 THR MG 3.600 . 3.600 2.409 2.291 2.469 . 0 0 "[ . 1 ]" 1
173 1 6 LYS HA 1 7 THR MG 5.400 . 5.400 5.173 4.864 5.274 . 0 0 "[ . 1 ]" 1
174 1 54 LYS HA 1 54 LYS QD 4.000 . 4.000 3.341 2.376 3.909 . 0 0 "[ . 1 ]" 1
175 1 1 MET QG 1 3 ILE MG 5.600 . 5.600 4.889 3.918 5.296 . 0 0 "[ . 1 ]" 1
176 1 29 ARG HA 1 29 ARG HG2 3.900 . 3.900 3.191 2.529 3.752 . 0 0 "[ . 1 ]" 1
177 1 29 ARG HA 1 29 ARG HG3 3.900 . 3.900 3.228 2.494 3.828 . 0 0 "[ . 1 ]" 1
178 1 4 LYS HB2 1 66 VAL MG2 5.500 . 5.500 3.221 2.737 3.680 . 0 0 "[ . 1 ]" 1
179 1 13 ILE MD 1 34 GLU HG3 4.800 . 4.800 4.134 3.668 4.826 0.026 8 0 "[ . 1 ]" 1
180 1 22 LYS HA 1 55 THR HA 3.100 . 3.100 2.403 2.234 2.687 . 0 0 "[ . 1 ]" 1
181 1 69 LEU HA 1 69 LEU MD1 4.200 . 4.200 2.913 2.349 3.485 . 0 0 "[ . 1 ]" 1
182 1 3 ILE HB 1 65 SER QB 4.200 . 4.200 4.165 4.036 4.214 0.014 11 0 "[ . 1 ]" 1
183 1 61 ILE MD 1 65 SER QB 5.600 . 5.600 4.412 3.475 4.697 . 0 0 "[ . 1 ]" 1
184 1 28 GLU HA 1 28 GLU HG3 4.000 . 4.000 3.341 2.958 3.871 . 0 0 "[ . 1 ]" 1
185 1 28 GLU HA 1 38 PRO HB3 4.500 . 4.500 3.898 3.222 4.471 . 0 0 "[ . 1 ]" 1
186 1 28 GLU HA 1 31 GLU HB2 4.200 . 4.200 3.102 2.621 3.306 . 0 0 "[ . 1 ]" 1
187 1 28 GLU HA 1 38 PRO HG2 5.400 . 5.400 4.258 3.460 5.260 . 0 0 "[ . 1 ]" 1
188 1 56 ALA HA 1 59 TYR H 4.700 . 4.700 3.775 3.698 3.871 . 0 0 "[ . 1 ]" 1
189 1 57 ALA MB 1 58 ASP HA 4.400 . 4.400 3.897 3.882 3.917 . 0 0 "[ . 1 ]" 1
190 1 26 ILE MD 1 56 ALA HA 4.500 . 4.500 4.031 3.836 4.209 . 0 0 "[ . 1 ]" 1
191 1 50 MET ME 1 56 ALA HA 4.900 . 4.900 2.146 1.976 2.451 . 0 0 "[ . 1 ]" 1
192 1 57 ALA HA 1 60 LYS HA 4.300 . 4.300 3.411 3.192 3.519 . 0 0 "[ . 1 ]" 1
193 1 15 ILE MG 1 29 ARG HD3 5.300 . 5.300 4.501 2.852 5.137 . 0 0 "[ . 1 ]" 1
194 1 17 ILE MG 1 29 ARG HD3 5.500 . 5.500 4.176 2.927 5.052 . 0 0 "[ . 1 ]" 1
195 1 15 ILE MG 1 29 ARG HD2 5.300 . 5.300 4.474 3.531 5.184 . 0 0 "[ . 1 ]" 1
196 1 17 ILE MG 1 29 ARG HD2 5.500 . 5.500 3.911 2.845 4.854 . 0 0 "[ . 1 ]" 1
197 1 29 ARG HA 1 29 ARG HD3 4.300 . 4.300 3.155 2.351 4.025 . 0 0 "[ . 1 ]" 1
198 1 5 VAL H 1 13 ILE HB 4.700 . 4.700 3.216 2.991 3.628 . 0 0 "[ . 1 ]" 1
199 1 59 TYR HB3 1 61 ILE HG13 5.300 . 5.300 2.941 2.744 4.526 . 0 0 "[ . 1 ]" 1
200 1 34 GLU HG3 1 35 GLY H 5.600 . 5.600 5.059 4.862 5.216 . 0 0 "[ . 1 ]" 1
201 1 34 GLU H 1 34 GLU HG2 4.800 . 4.800 4.606 4.408 4.768 . 0 0 "[ . 1 ]" 1
202 1 34 GLU HG2 1 35 GLY H 5.600 . 5.600 4.916 4.689 5.188 . 0 0 "[ . 1 ]" 1
203 1 31 GLU H 1 31 GLU HG2 4.600 . 4.600 4.477 4.449 4.511 . 0 0 "[ . 1 ]" 1
204 1 4 LYS HB3 1 66 VAL MG1 5.500 . 5.500 3.647 3.116 4.098 . 0 0 "[ . 1 ]" 1
205 1 4 LYS HB2 1 66 VAL MG1 5.500 . 5.500 3.169 2.712 3.610 . 0 0 "[ . 1 ]" 1
206 1 27 LYS H 1 27 LYS HB3 4.200 . 4.200 3.622 3.618 3.629 . 0 0 "[ . 1 ]" 1
207 1 44 ILE MG 1 68 HIS HB2 5.100 . 5.100 3.411 2.589 4.035 . 0 0 "[ . 1 ]" 1
208 1 18 GLU HB3 1 20 THR H 4.300 . 4.300 2.537 2.466 2.604 . 0 0 "[ . 1 ]" 1
209 1 18 GLU HB2 1 20 THR H 4.500 . 4.500 3.448 3.286 3.605 . 0 0 "[ . 1 ]" 1
210 1 28 GLU HA 1 31 GLU HB3 4.000 . 4.000 2.784 2.533 2.932 . 0 0 "[ . 1 ]" 1
211 1 37 PRO HA 1 38 PRO HG2 5.300 . 5.300 4.552 4.497 4.619 . 0 0 "[ . 1 ]" 1
212 1 65 SER HA 1 66 VAL HA 4.700 . 4.700 4.387 4.374 4.415 . 0 0 "[ . 1 ]" 1
213 1 18 GLU HB3 1 20 THR HA 5.600 . 5.600 5.315 5.242 5.404 . 0 0 "[ . 1 ]" 1
214 1 24 GLU H 1 55 THR HA 5.600 . 5.600 5.498 5.396 5.638 0.038 2 0 "[ . 1 ]" 1
215 1 22 LYS HB3 1 55 THR HA 4.800 . 4.800 4.463 4.267 4.765 . 0 0 "[ . 1 ]" 1
216 1 22 LYS QG 1 55 THR HA 4.800 . 4.800 4.129 3.714 4.650 . 0 0 "[ . 1 ]" 1
217 1 31 GLU HA 1 36 ILE HB 4.600 . 4.600 3.894 3.685 4.133 . 0 0 "[ . 1 ]" 1
218 1 24 GLU HA 1 24 GLU QG 3.800 . 3.800 3.365 3.362 3.367 . 0 0 "[ . 1 ]" 1
219 1 24 GLU HA 1 27 LYS QD 4.400 . 4.400 2.512 2.303 3.157 . 0 0 "[ . 1 ]" 1
220 1 27 LYS HA 1 27 LYS QD 4.500 . 4.500 3.954 3.854 4.193 . 0 0 "[ . 1 ]" 1
221 1 6 LYS HB3 1 68 HIS HA 4.100 . 4.100 3.555 2.536 4.103 0.003 8 0 "[ . 1 ]" 1
222 1 7 THR HB 1 11 LYS HA 5.600 . 5.600 5.458 5.362 5.623 0.023 8 0 "[ . 1 ]" 1
223 1 5 VAL QG 1 6 LYS HA 4.800 . 4.800 3.818 3.570 3.891 . 0 0 "[ . 1 ]" 1
224 1 6 LYS HA 1 6 LYS QD 4.800 . 4.800 3.969 3.934 3.999 . 0 0 "[ . 1 ]" 1
225 1 72 ALA HA 1 73 LEU HG 5.500 . 5.500 4.455 3.909 4.853 . 0 0 "[ . 1 ]" 1
226 1 36 ILE HB 1 37 PRO HD2 5.200 . 5.200 4.047 3.988 4.133 . 0 0 "[ . 1 ]" 1
227 1 36 ILE HB 1 37 PRO HD3 5.200 . 5.200 5.155 5.112 5.200 . 0 0 "[ . 1 ]" 1
228 1 27 LYS QE 1 41 GLN QB 4.000 . 4.000 3.978 3.832 4.019 0.019 4 0 "[ . 1 ]" 1
229 1 27 LYS QE 1 43 LEU MD1 4.100 . 4.100 4.062 3.635 4.121 0.021 2 0 "[ . 1 ]" 1
230 1 27 LYS QE 1 43 LEU MD2 4.000 . 4.000 3.994 3.872 4.069 0.069 10 0 "[ . 1 ]" 1
231 1 43 LEU HA 1 44 ILE HB 4.800 . 4.800 4.596 4.122 4.886 0.086 1 0 "[ . 1 ]" 1
232 1 36 ILE HB 1 41 GLN HE21 5.200 . 5.200 3.359 3.005 3.950 . 0 0 "[ . 1 ]" 1
233 1 51 ASN HB2 1 54 LYS HB2 4.900 . 4.900 3.186 2.749 4.133 . 0 0 "[ . 1 ]" 1
234 1 59 TYR HB3 1 61 ILE HG12 5.300 . 5.300 3.614 3.525 3.807 . 0 0 "[ . 1 ]" 1
235 1 59 TYR HB2 1 61 ILE HG12 5.300 . 5.300 3.749 2.814 3.947 . 0 0 "[ . 1 ]" 1
236 1 56 ALA HA 1 59 TYR HB2 5.500 . 5.500 3.506 3.338 3.782 . 0 0 "[ . 1 ]" 1
237 1 56 ALA HA 1 59 TYR HB3 5.500 . 5.500 5.203 5.024 5.503 0.003 2 0 "[ . 1 ]" 1
238 1 60 LYS QD 1 61 ILE HB 5.600 . 5.600 5.644 5.622 5.714 0.114 9 0 "[ . 1 ]" 1
239 1 56 ALA HA 1 61 ILE HB 4.700 . 4.700 3.965 3.680 4.390 . 0 0 "[ . 1 ]" 1
240 1 53 GLU HA 1 53 GLU HG2 4.100 . 4.100 2.528 2.476 2.741 . 0 0 "[ . 1 ]" 1
241 1 27 LYS QD 1 38 PRO HB3 4.600 . 4.600 3.180 2.830 3.627 . 0 0 "[ . 1 ]" 1
242 1 44 ILE MG 1 68 HIS HB3 5.100 . 5.100 4.180 3.240 4.904 . 0 0 "[ . 1 ]" 1
243 1 44 ILE MD 1 68 HIS HB3 5.600 . 5.600 5.338 3.877 5.623 0.023 8 0 "[ . 1 ]" 1
244 1 30 VAL HB 1 41 GLN HE21 5.100 . 5.100 3.711 2.423 4.149 . 0 0 "[ . 1 ]" 1
245 1 44 ILE HG12 1 49 GLN HA 5.100 . 5.100 4.274 2.806 5.080 . 0 0 "[ . 1 ]" 1
246 1 2 LEU H 1 2 LEU HG 4.800 . 4.800 3.357 1.943 4.248 . 0 0 "[ . 1 ]" 1
247 1 20 THR HA 1 55 THR MG 4.200 . 4.200 4.067 3.825 4.258 0.058 2 0 "[ . 1 ]" 1
248 1 22 LYS HA 1 55 THR MG 3.500 . 3.500 2.169 2.049 2.229 . 0 0 "[ . 1 ]" 1
249 1 22 LYS QD 1 55 THR MG 3.600 . 3.600 2.644 2.050 3.368 . 0 0 "[ . 1 ]" 1
250 1 20 THR H 1 20 THR MG 4.000 . 4.000 2.443 1.982 2.656 . 0 0 "[ . 1 ]" 1
251 1 7 THR MG 1 13 ILE MD 3.700 . 3.700 2.770 2.342 2.945 . 0 0 "[ . 1 ]" 1
252 1 7 THR MG 1 13 ILE MG 5.600 . 5.600 5.482 5.007 5.644 0.044 8 0 "[ . 1 ]" 1
253 1 4 LYS HB3 1 66 VAL MG2 5.500 . 5.500 4.437 4.026 4.890 . 0 0 "[ . 1 ]" 1
254 1 3 ILE MD 1 3 ILE MG 3.200 . 3.200 2.547 2.372 3.179 . 0 0 "[ . 1 ]" 1
255 1 15 ILE MD 1 15 ILE MG 3.300 . 3.300 2.303 2.224 2.383 . 0 0 "[ . 1 ]" 1
256 1 17 ILE HA 1 17 ILE MG 3.500 . 3.500 2.240 2.224 2.250 . 0 0 "[ . 1 ]" 1
257 1 3 ILE HA 1 3 ILE MG 3.700 . 3.700 2.211 2.202 2.222 . 0 0 "[ . 1 ]" 1
258 1 3 ILE MG 1 67 LEU HG 4.100 . 4.100 3.771 3.533 4.004 . 0 0 "[ . 1 ]" 1
259 1 57 ALA H 1 57 ALA MB 3.200 . 3.200 2.235 2.233 2.239 . 0 0 "[ . 1 ]" 1
260 1 19 PRO HB3 1 57 ALA MB 3.800 . 3.800 3.153 2.714 3.806 0.006 9 0 "[ . 1 ]" 1
261 1 13 ILE HA 1 13 ILE MG 3.500 . 3.500 2.447 2.381 2.490 . 0 0 "[ . 1 ]" 1
262 1 13 ILE MG 1 33 LYS QG 4.000 . 4.000 3.788 3.693 3.904 . 0 0 "[ . 1 ]" 1
263 1 13 ILE MG 1 14 GLU H 4.000 . 4.000 2.405 2.288 2.498 . 0 0 "[ . 1 ]" 1
264 1 19 PRO HB2 1 57 ALA MB 3.800 . 3.800 2.491 2.286 2.708 . 0 0 "[ . 1 ]" 1
265 1 13 ILE MD 1 13 ILE MG 3.900 . 3.900 2.271 2.163 2.425 . 0 0 "[ . 1 ]" 1
266 1 44 ILE HA 1 44 ILE MG 3.600 . 3.600 2.465 2.275 2.759 . 0 0 "[ . 1 ]" 1
267 1 36 ILE MG 1 41 GLN HG3 3.800 . 3.800 2.841 2.489 3.810 0.010 11 0 "[ . 1 ]" 1
268 1 36 ILE MG 1 40 GLN HB3 4.200 . 4.200 3.649 3.420 4.035 . 0 0 "[ . 1 ]" 1
269 1 36 ILE MG 1 40 GLN HB2 3.700 . 3.700 2.801 2.691 2.908 . 0 0 "[ . 1 ]" 1
270 1 36 ILE MG 1 41 GLN HG2 3.800 . 3.800 3.231 2.886 3.652 . 0 0 "[ . 1 ]" 1
271 1 26 ILE MG 1 27 LYS HG2 5.500 . 5.500 4.382 4.201 4.493 . 0 0 "[ . 1 ]" 1
272 1 26 ILE MG 1 56 ALA MB 5.600 . 5.600 4.629 4.401 4.765 . 0 0 "[ . 1 ]" 1
273 1 26 ILE MG 1 27 LYS HG3 5.500 . 5.500 4.704 4.620 5.026 . 0 0 "[ . 1 ]" 1
274 1 26 ILE MG 1 43 LEU HG 5.600 . 5.600 5.140 4.539 5.610 0.010 4 0 "[ . 1 ]" 1
275 1 19 PRO HD3 1 20 THR H 5.000 . 5.000 3.791 3.703 4.036 . 0 0 "[ . 1 ]" 1
276 1 18 GLU H 1 19 PRO HD2 5.600 . 5.600 5.348 4.919 5.460 . 0 0 "[ . 1 ]" 1
277 1 19 PRO HD3 1 21 ASP H 5.600 . 5.600 5.427 5.349 5.588 . 0 0 "[ . 1 ]" 1
278 1 37 PRO HD2 1 40 GLN HB3 5.600 . 5.600 5.211 5.045 5.284 . 0 0 "[ . 1 ]" 1
279 1 38 PRO HA 1 40 GLN HB2 5.600 . 5.600 5.493 5.286 5.628 0.028 11 0 "[ . 1 ]" 1
280 1 37 PRO HA 1 38 PRO HG3 4.600 . 4.600 4.311 4.088 4.519 . 0 0 "[ . 1 ]" 1
281 1 24 GLU HA 1 52 ASP HA 4.500 . 4.500 4.140 3.757 4.375 . 0 0 "[ . 1 ]" 1
282 1 50 MET HA 1 51 ASN HA 4.700 . 4.700 4.391 4.372 4.425 . 0 0 "[ . 1 ]" 1
283 1 61 ILE MD 1 67 LEU HG 4.700 . 4.700 4.133 3.915 4.494 . 0 0 "[ . 1 ]" 1
284 1 50 MET ME 1 61 ILE MD 4.800 . 4.800 2.091 1.899 2.327 . 0 0 "[ . 1 ]" 1
285 1 59 TYR HA 1 61 ILE MD 5.500 . 5.500 4.406 3.957 4.465 . 0 0 "[ . 1 ]" 1
286 1 61 ILE MG 1 66 VAL HA 5.600 . 5.600 5.455 5.341 5.636 0.036 9 0 "[ . 1 ]" 1
287 1 15 ILE MG 1 16 ASP H 4.100 . 4.100 2.766 2.604 2.865 . 0 0 "[ . 1 ]" 1
288 1 16 ASP H 1 17 ILE MG 4.600 . 4.600 3.568 3.503 3.637 . 0 0 "[ . 1 ]" 1
289 1 15 ILE MD 1 29 ARG HG2 5.600 . 5.600 5.141 4.315 5.658 0.058 10 0 "[ . 1 ]" 1
290 1 15 ILE MD 1 29 ARG HG3 5.600 . 5.600 4.983 4.525 5.620 0.020 7 0 "[ . 1 ]" 1
291 1 26 ILE HA 1 29 ARG HB3 4.800 . 4.800 3.851 3.001 4.542 . 0 0 "[ . 1 ]" 1
292 1 24 GLU HA 1 27 LYS HB2 4.200 . 4.200 2.794 2.668 2.922 . 0 0 "[ . 1 ]" 1
293 1 65 SER HA 1 66 VAL HB 4.800 . 4.800 4.820 4.813 4.827 0.027 10 0 "[ . 1 ]" 1
294 1 44 ILE MD 1 49 GLN QG 4.600 . 4.600 3.525 2.124 4.802 0.202 9 0 "[ . 1 ]" 1
295 1 44 ILE MD 1 68 HIS HB2 5.600 . 5.600 5.111 4.194 5.385 . 0 0 "[ . 1 ]" 1
296 1 42 ARG HD2 1 44 ILE MD 5.600 . 5.600 3.836 2.286 5.068 . 0 0 "[ . 1 ]" 1
297 1 42 ARG HD3 1 44 ILE MD 5.600 . 5.600 3.290 2.344 4.833 . 0 0 "[ . 1 ]" 1
298 1 44 ILE MD 1 49 GLN HA 4.100 . 4.100 3.204 2.119 4.229 0.129 2 0 "[ . 1 ]" 1
299 1 44 ILE H 1 44 ILE MD 4.300 . 4.300 3.781 3.115 4.539 0.239 9 0 "[ . 1 ]" 1
300 1 36 ILE H 1 36 ILE MD 4.900 . 4.900 3.727 3.433 3.914 . 0 0 "[ . 1 ]" 1
301 1 36 ILE MD 1 37 PRO QG 5.600 . 5.600 5.667 5.626 5.692 0.092 7 0 "[ . 1 ]" 1
302 1 36 ILE MD 1 40 GLN HB2 5.600 . 5.600 5.606 5.507 5.670 0.070 6 0 "[ . 1 ]" 1
303 1 26 ILE HB 1 26 ILE MD 3.700 . 3.700 2.206 2.172 2.262 . 0 0 "[ . 1 ]" 1
304 1 26 ILE MD 1 56 ALA MB 4.100 . 4.100 2.378 2.151 2.612 . 0 0 "[ . 1 ]" 1
305 1 67 LEU H 1 67 LEU QD 4.100 . 4.100 3.371 3.272 3.547 . 0 0 "[ . 1 ]" 1
306 1 65 SER QB 1 67 LEU QD 4.800 . 4.800 3.294 3.076 3.485 . 0 0 "[ . 1 ]" 1
307 1 41 GLN QB 1 69 LEU MD1 4.400 . 4.400 2.279 2.042 2.445 . 0 0 "[ . 1 ]" 1
308 1 41 GLN QB 1 69 LEU HG 4.900 . 4.900 3.195 2.545 3.754 . 0 0 "[ . 1 ]" 1
309 1 39 GLN QG 1 40 GLN H 4.800 . 4.800 4.369 4.303 4.479 . 0 0 "[ . 1 ]" 1
310 1 6 LYS HB2 1 68 HIS HA 4.100 . 4.100 2.655 2.328 3.463 . 0 0 "[ . 1 ]" 1
311 1 36 ILE HA 1 37 PRO QG 4.000 . 4.000 3.923 3.911 3.940 . 0 0 "[ . 1 ]" 1
312 1 25 ARG HA 1 25 ARG HD2 4.000 . 4.000 3.070 2.387 3.642 . 0 0 "[ . 1 ]" 1
313 1 29 ARG HA 1 29 ARG HD2 4.300 . 4.300 3.437 2.492 4.175 . 0 0 "[ . 1 ]" 1
314 1 13 ILE HB 1 13 ILE MD 3.400 . 3.400 2.302 2.249 2.351 . 0 0 "[ . 1 ]" 1
315 1 13 ILE MD 1 30 VAL HA 5.600 . 5.600 4.400 4.031 4.869 . 0 0 "[ . 1 ]" 1
316 1 30 VAL HA 1 33 LYS QG 4.800 . 4.800 4.314 3.765 4.598 . 0 0 "[ . 1 ]" 1
317 1 15 ILE MD 1 30 VAL HA 5.300 . 5.300 4.580 4.212 4.934 . 0 0 "[ . 1 ]" 1
318 1 27 LYS HB3 1 27 LYS QE 3.700 . 3.700 3.632 2.572 3.793 0.093 9 0 "[ . 1 ]" 1
319 1 27 LYS QE 1 27 LYS HG3 3.900 . 3.900 2.675 2.521 3.179 . 0 0 "[ . 1 ]" 1
320 1 27 LYS QE 1 27 LYS HG2 3.900 . 3.900 2.249 2.192 2.267 . 0 0 "[ . 1 ]" 1
321 1 54 LYS HB3 1 58 ASP HB3 4.500 . 4.500 3.655 3.481 3.824 . 0 0 "[ . 1 ]" 1
322 1 54 LYS HB3 1 58 ASP HB2 4.500 . 4.500 2.976 2.808 3.183 . 0 0 "[ . 1 ]" 1
323 1 23 VAL MG2 1 50 MET HB3 4.300 . 4.300 2.232 2.103 2.285 . 0 0 "[ . 1 ]" 1
324 1 23 VAL MG2 1 50 MET HB2 4.300 . 4.300 3.605 3.113 3.813 . 0 0 "[ . 1 ]" 1
325 1 23 VAL MG1 1 50 MET HB2 4.300 . 4.300 2.657 2.178 3.031 . 0 0 "[ . 1 ]" 1
326 1 23 VAL MG1 1 50 MET HB3 4.300 . 4.300 2.313 1.974 2.542 . 0 0 "[ . 1 ]" 1
327 1 38 PRO HA 1 41 GLN QB 4.600 . 4.600 2.645 2.290 4.080 . 0 0 "[ . 1 ]" 1
328 1 22 LYS HB2 1 24 GLU QG 4.100 . 4.100 2.716 2.588 2.919 . 0 0 "[ . 1 ]" 1
329 1 31 GLU HG2 1 38 PRO HD3 5.200 . 5.200 4.114 3.874 4.408 . 0 0 "[ . 1 ]" 1
330 1 22 LYS HB3 1 24 GLU QG 3.200 . 3.200 2.246 2.216 2.277 . 0 0 "[ . 1 ]" 1
331 1 13 ILE MD 1 34 GLU HG2 4.800 . 4.800 4.842 4.764 4.887 0.087 2 0 "[ . 1 ]" 1
332 1 5 VAL QG 1 12 GLU HA 5.300 . 5.300 4.621 4.011 4.949 . 0 0 "[ . 1 ]" 1
333 1 34 GLU HA 1 34 GLU HG3 4.200 . 4.200 2.371 2.146 2.561 . 0 0 "[ . 1 ]" 1
334 1 34 GLU HA 1 34 GLU HG2 4.200 . 4.200 2.778 2.433 3.324 . 0 0 "[ . 1 ]" 1
335 1 22 LYS QD 1 54 LYS HA 4.600 . 4.600 4.398 4.009 4.628 0.028 6 0 "[ . 1 ]" 1
336 1 22 LYS QE 1 53 GLU HA 4.400 . 4.400 4.166 3.729 4.417 0.017 7 0 "[ . 1 ]" 1
337 1 6 LYS HA 1 12 GLU QG 5.500 . 5.500 3.623 2.736 5.316 . 0 0 "[ . 1 ]" 1
338 1 1 MET HA 1 1 MET ME 5.100 . 5.100 4.325 4.124 4.556 . 0 0 "[ . 1 ]" 1
339 1 5 VAL QG 1 6 LYS H 3.300 . 3.300 2.203 2.059 2.396 . 0 0 "[ . 1 ]" 1
340 1 5 VAL HB 1 6 LYS H 4.500 . 4.500 3.803 3.618 4.073 . 0 0 "[ . 1 ]" 1
341 1 6 LYS H 1 6 LYS HB3 3.700 . 3.700 3.419 2.897 3.637 . 0 0 "[ . 1 ]" 1
342 1 6 LYS H 1 67 LEU QB 4.600 . 4.600 4.005 3.591 4.284 . 0 0 "[ . 1 ]" 1
343 1 6 LYS H 1 6 LYS HB2 3.700 . 3.700 2.442 2.345 2.597 . 0 0 "[ . 1 ]" 1
344 1 6 LYS H 1 68 HIS HA 3.600 . 3.600 2.531 2.070 3.025 . 0 0 "[ . 1 ]" 1
345 1 5 VAL HA 1 6 LYS H 3.000 . 3.000 2.264 2.222 2.309 . 0 0 "[ . 1 ]" 1
346 1 1 MET HA 1 2 LEU H 3.000 . 3.000 2.229 2.148 2.298 . 0 0 "[ . 1 ]" 1
347 1 2 LEU H 1 63 GLY HA2 4.700 . 4.700 2.840 2.233 3.373 . 0 0 "[ . 1 ]" 1
348 1 5 VAL HA 1 67 LEU H 3.800 . 3.800 2.875 2.633 3.018 . 0 0 "[ . 1 ]" 1
349 1 64 GLY H 1 65 SER H 3.500 . 3.500 2.050 1.839 2.164 . 0 0 "[ . 1 ]" 1
350 1 63 GLY H 1 64 GLY H 4.500 . 4.500 4.353 4.190 4.412 . 0 0 "[ . 1 ]" 1
351 1 54 LYS H 1 55 THR H 4.600 . 4.600 4.534 4.501 4.557 . 0 0 "[ . 1 ]" 1
352 1 4 LYS H 1 67 LEU H 4.500 . 4.500 3.805 3.610 4.451 . 0 0 "[ . 1 ]" 1
353 1 55 THR H 1 58 ASP H 3.900 . 3.900 3.622 3.592 3.647 . 0 0 "[ . 1 ]" 1
354 1 6 LYS H 1 69 LEU H 4.200 . 4.200 3.448 2.845 3.743 . 0 0 "[ . 1 ]" 1
355 1 69 LEU H 1 70 VAL H 4.800 . 4.800 4.231 4.006 4.397 . 0 0 "[ . 1 ]" 1
356 1 42 ARG H 1 70 VAL H 4.000 . 4.000 3.161 2.689 3.604 . 0 0 "[ . 1 ]" 1
357 1 3 ILE H 1 15 ILE H 3.600 . 3.600 3.421 3.040 3.609 0.009 9 0 "[ . 1 ]" 1
358 1 3 ILE H 1 4 LYS H 5.100 . 5.100 4.412 4.365 4.458 . 0 0 "[ . 1 ]" 1
359 1 39 GLN H 1 40 GLN H 3.700 . 3.700 2.724 2.677 2.771 . 0 0 "[ . 1 ]" 1
360 1 7 THR H 1 11 LYS H 4.100 . 4.100 2.890 2.484 3.101 . 0 0 "[ . 1 ]" 1
361 1 45 TYR H 1 48 LYS H 3.600 . 3.600 3.559 3.392 3.632 0.032 2 0 "[ . 1 ]" 1
362 1 53 GLU H 1 54 LYS H 3.200 . 3.200 2.285 2.201 2.354 . 0 0 "[ . 1 ]" 1
363 1 33 LYS H 1 34 GLU H 3.300 . 3.300 2.629 2.557 2.747 . 0 0 "[ . 1 ]" 1
364 1 24 GLU H 1 25 ARG H 3.500 . 3.500 2.717 2.667 2.813 . 0 0 "[ . 1 ]" 1
365 1 57 ALA H 1 58 ASP H 3.400 . 3.400 2.665 2.642 2.696 . 0 0 "[ . 1 ]" 1
366 1 47 GLY H 1 48 LYS H 4.000 . 4.000 1.778 1.421 2.577 . 0 0 "[ . 1 ]" 1
367 1 30 VAL H 1 31 GLU H 3.600 . 3.600 2.660 2.549 2.726 . 0 0 "[ . 1 ]" 1
368 1 56 ALA H 1 57 ALA H 3.700 . 3.700 2.749 2.715 2.778 . 0 0 "[ . 1 ]" 1
369 1 29 ARG H 1 30 VAL H 3.500 . 3.500 2.634 2.581 2.710 . 0 0 "[ . 1 ]" 1
370 1 60 LYS H 1 61 ILE H 3.400 . 3.400 2.994 2.972 3.051 . 0 0 "[ . 1 ]" 1
371 1 59 TYR H 1 60 LYS H 3.100 . 3.100 2.364 2.310 2.415 . 0 0 "[ . 1 ]" 1
372 1 31 GLU H 1 32 GLU H 3.600 . 3.600 2.809 2.728 2.899 . 0 0 "[ . 1 ]" 1
373 1 25 ARG H 1 26 ILE H 3.400 . 3.400 2.523 2.464 2.581 . 0 0 "[ . 1 ]" 1
374 1 28 GLU H 1 29 ARG H 3.500 . 3.500 2.642 2.582 2.712 . 0 0 "[ . 1 ]" 1
375 1 26 ILE H 1 27 LYS H 3.500 . 3.500 2.563 2.509 2.591 . 0 0 "[ . 1 ]" 1
376 1 40 GLN H 1 41 GLN H 3.300 . 3.300 2.334 2.288 2.376 . 0 0 "[ . 1 ]" 1
377 1 51 ASN H 1 54 LYS H 5.600 . 5.600 3.916 3.426 4.226 . 0 0 "[ . 1 ]" 1
378 1 23 VAL H 1 54 LYS H 5.200 . 5.200 4.598 4.467 4.740 . 0 0 "[ . 1 ]" 1
379 1 22 LYS H 1 25 ARG H 4.600 . 4.600 4.157 4.018 4.299 . 0 0 "[ . 1 ]" 1
380 1 58 ASP H 1 59 TYR H 3.300 . 3.300 2.641 2.625 2.657 . 0 0 "[ . 1 ]" 1
381 1 59 TYR H 1 61 ILE H 4.500 . 4.500 3.470 3.395 3.549 . 0 0 "[ . 1 ]" 1
382 1 32 GLU H 1 33 LYS H 3.500 . 3.500 2.620 2.493 2.687 . 0 0 "[ . 1 ]" 1
383 1 33 LYS H 1 35 GLY H 4.400 . 4.400 3.807 3.675 3.883 . 0 0 "[ . 1 ]" 1
384 1 10 GLY H 1 11 LYS H 3.500 . 3.500 2.317 2.248 2.379 . 0 0 "[ . 1 ]" 1
385 1 68 HIS H 1 68 HIS HD2 4.700 . 4.700 3.267 2.874 4.722 0.022 8 0 "[ . 1 ]" 1
386 1 20 THR H 1 21 ASP H 3.200 . 3.200 2.457 2.380 2.552 . 0 0 "[ . 1 ]" 1
387 1 30 VAL H 1 41 GLN HE22 4.900 . 4.900 4.832 3.929 4.947 0.047 4 0 "[ . 1 ]" 1
388 1 31 GLU H 1 41 GLN HE22 3.700 . 3.700 3.300 3.124 3.532 . 0 0 "[ . 1 ]" 1
389 1 31 GLU H 1 41 GLN HE21 4.600 . 4.600 4.205 3.874 4.453 . 0 0 "[ . 1 ]" 1
390 1 35 GLY H 1 36 ILE H 3.700 . 3.700 2.300 2.159 2.530 . 0 0 "[ . 1 ]" 1
391 1 4 LYS HA 1 5 VAL H 2.900 . 2.900 2.148 2.134 2.167 . 0 0 "[ . 1 ]" 1
392 1 4 LYS HA 1 15 ILE H 4.300 . 4.300 3.482 3.206 3.657 . 0 0 "[ . 1 ]" 1
393 1 3 ILE H 1 16 ASP HA 4.200 . 4.200 3.282 3.006 3.741 . 0 0 "[ . 1 ]" 1
394 1 16 ASP HA 1 17 ILE H 2.900 . 2.900 2.127 2.117 2.138 . 0 0 "[ . 1 ]" 1
395 1 23 VAL H 1 55 THR HA 3.600 . 3.600 2.690 2.588 2.807 . 0 0 "[ . 1 ]" 1
396 1 43 LEU HA 1 44 ILE H 2.900 . 2.900 2.128 2.088 2.164 . 0 0 "[ . 1 ]" 1
397 1 55 THR HA 1 56 ALA H 3.100 . 3.100 2.405 2.362 2.436 . 0 0 "[ . 1 ]" 1
398 1 55 THR HA 1 57 ALA H 4.700 . 4.700 4.347 4.282 4.427 . 0 0 "[ . 1 ]" 1
399 1 43 LEU HA 1 70 VAL H 4.700 . 4.700 3.818 3.502 4.164 . 0 0 "[ . 1 ]" 1
400 1 6 LYS HA 1 13 ILE H 4.100 . 4.100 3.675 3.409 3.895 . 0 0 "[ . 1 ]" 1
401 1 6 LYS HA 1 7 THR H 2.800 . 2.800 2.133 2.117 2.175 . 0 0 "[ . 1 ]" 1
402 1 69 LEU HA 1 70 VAL H 3.000 . 3.000 2.166 2.132 2.213 . 0 0 "[ . 1 ]" 1
403 1 44 ILE H 1 69 LEU HA 4.500 . 4.500 3.082 2.540 3.538 . 0 0 "[ . 1 ]" 1
404 1 68 HIS HA 1 69 LEU H 2.800 . 2.800 2.272 2.173 2.471 . 0 0 "[ . 1 ]" 1
405 1 5 VAL H 1 14 GLU HA 4.100 . 4.100 3.940 3.799 4.100 0.000 8 0 "[ . 1 ]" 1
406 1 14 GLU HA 1 15 ILE H 2.900 . 2.900 2.138 2.132 2.144 . 0 0 "[ . 1 ]" 1
407 1 12 GLU HA 1 13 ILE H 2.900 . 2.900 2.142 2.123 2.151 . 0 0 "[ . 1 ]" 1
408 1 2 LEU HA 1 3 ILE H 2.900 . 2.900 2.205 2.146 2.261 . 0 0 "[ . 1 ]" 1
409 1 67 LEU HA 1 68 HIS H 3.100 . 3.100 2.255 2.133 2.313 . 0 0 "[ . 1 ]" 1
410 1 2 LEU HA 1 17 ILE H 4.100 . 4.100 3.711 2.973 4.110 0.010 4 0 "[ . 1 ]" 1
411 1 7 THR H 1 12 GLU HA 4.000 . 4.000 3.560 3.352 3.875 . 0 0 "[ . 1 ]" 1
412 1 71 LEU HA 1 72 ALA H 3.000 . 3.000 2.381 2.157 2.599 . 0 0 "[ . 1 ]" 1
413 1 7 THR HA 1 69 LEU H 4.500 . 4.500 4.023 3.642 4.308 . 0 0 "[ . 1 ]" 1
414 1 62 LEU HA 1 63 GLY H 3.000 . 3.000 2.480 2.393 2.515 . 0 0 "[ . 1 ]" 1
415 1 17 ILE HA 1 18 GLU H 3.200 . 3.200 2.407 2.372 2.445 . 0 0 "[ . 1 ]" 1
416 1 3 ILE HA 1 4 LYS H 3.300 . 3.300 2.300 2.243 2.345 . 0 0 "[ . 1 ]" 1
417 1 3 ILE HA 1 65 SER H 4.200 . 4.200 3.696 3.543 3.786 . 0 0 "[ . 1 ]" 1
418 1 3 ILE HA 1 64 GLY H 3.700 . 3.700 2.847 2.572 3.182 . 0 0 "[ . 1 ]" 1
419 1 44 ILE HA 1 47 GLY H 5.600 . 5.600 5.282 5.147 5.393 . 0 0 "[ . 1 ]" 1
420 1 47 GLY H 1 48 LYS HA 5.600 . 5.600 4.487 4.195 5.066 . 0 0 "[ . 1 ]" 1
421 1 22 LYS HA 1 23 VAL H 3.200 . 3.200 2.256 2.230 2.289 . 0 0 "[ . 1 ]" 1
422 1 44 ILE HA 1 50 MET H 4.000 . 4.000 3.044 2.688 3.298 . 0 0 "[ . 1 ]" 1
423 1 44 ILE HA 1 45 TYR H 3.000 . 3.000 2.201 2.161 2.250 . 0 0 "[ . 1 ]" 1
424 1 48 LYS HA 1 49 GLN H 3.400 . 3.400 2.338 2.245 2.370 . 0 0 "[ . 1 ]" 1
425 1 22 LYS HA 1 56 ALA H 4.000 . 4.000 3.781 3.594 4.000 . 0 0 "[ . 1 ]" 1
426 1 9 THR HB 1 11 LYS H 4.600 . 4.600 3.913 3.774 4.220 . 0 0 "[ . 1 ]" 1
427 1 21 ASP HA 1 22 LYS H 2.900 . 2.900 2.312 2.266 2.349 . 0 0 "[ . 1 ]" 1
428 1 54 LYS HA 1 55 THR H 3.000 . 3.000 2.518 2.475 2.613 . 0 0 "[ . 1 ]" 1
429 1 15 ILE HA 1 16 ASP H 2.900 . 2.900 2.351 2.303 2.383 . 0 0 "[ . 1 ]" 1
430 1 42 ARG HA 1 43 LEU H 2.900 . 2.900 2.216 2.147 2.302 . 0 0 "[ . 1 ]" 1
431 1 65 SER HA 1 66 VAL H 2.900 . 2.900 2.288 2.221 2.373 . 0 0 "[ . 1 ]" 1
432 1 55 THR HB 1 56 ALA H 3.100 . 3.100 2.360 2.308 2.438 . 0 0 "[ . 1 ]" 1
433 1 55 THR HB 1 58 ASP H 4.300 . 4.300 4.004 3.790 4.070 . 0 0 "[ . 1 ]" 1
434 1 55 THR HB 1 57 ALA H 3.700 . 3.700 2.810 2.676 2.946 . 0 0 "[ . 1 ]" 1
435 1 40 GLN HA 1 72 ALA H 4.500 . 4.500 3.543 3.108 4.002 . 0 0 "[ . 1 ]" 1
436 1 13 ILE HA 1 14 GLU H 2.900 . 2.900 2.288 2.264 2.343 . 0 0 "[ . 1 ]" 1
437 1 49 GLN HA 1 50 MET H 3.000 . 3.000 2.501 2.182 3.054 0.054 9 0 "[ . 1 ]" 1
438 1 45 TYR H 1 49 GLN HA 4.000 . 4.000 3.859 3.638 4.044 0.044 3 0 "[ . 1 ]" 1
439 1 70 VAL HA 1 71 LEU H 3.000 . 3.000 2.140 2.078 2.224 . 0 0 "[ . 1 ]" 1
440 1 41 GLN HA 1 42 ARG H 3.100 . 3.100 2.233 2.167 2.304 . 0 0 "[ . 1 ]" 1
441 1 72 ALA HA 1 73 LEU H 3.100 . 3.100 2.163 2.134 2.275 . 0 0 "[ . 1 ]" 1
442 1 57 ALA HA 1 61 ILE H 4.000 . 4.000 3.492 3.408 3.605 . 0 0 "[ . 1 ]" 1
443 1 57 ALA HA 1 59 TYR H 4.400 . 4.400 3.700 3.676 3.733 . 0 0 "[ . 1 ]" 1
444 1 58 ASP HA 1 60 LYS H 4.500 . 4.500 3.791 3.742 3.843 . 0 0 "[ . 1 ]" 1
445 1 23 VAL H 1 52 ASP HA 4.200 . 4.200 4.212 4.137 4.267 0.067 2 0 "[ . 1 ]" 1
446 1 25 ARG HA 1 28 GLU H 3.800 . 3.800 3.322 3.189 3.531 . 0 0 "[ . 1 ]" 1
447 1 52 ASP HA 1 54 LYS H 4.600 . 4.600 3.776 3.705 3.822 . 0 0 "[ . 1 ]" 1
448 1 24 GLU H 1 52 ASP HA 3.500 . 3.500 3.024 2.835 3.220 . 0 0 "[ . 1 ]" 1
449 1 29 ARG HA 1 32 GLU H 4.000 . 4.000 3.641 3.456 3.849 . 0 0 "[ . 1 ]" 1
450 1 11 LYS HA 1 12 GLU H 2.800 . 2.800 2.163 2.149 2.182 . 0 0 "[ . 1 ]" 1
451 1 39 GLN HA 1 41 GLN H 4.700 . 4.700 3.869 3.802 3.985 . 0 0 "[ . 1 ]" 1
452 1 19 PRO HA 1 21 ASP H 4.700 . 4.700 3.766 3.711 3.948 . 0 0 "[ . 1 ]" 1
453 1 19 PRO HA 1 57 ALA H 4.100 . 4.100 3.593 3.381 3.787 . 0 0 "[ . 1 ]" 1
454 1 38 PRO HA 1 41 GLN H 4.400 . 4.400 3.438 3.216 3.742 . 0 0 "[ . 1 ]" 1
455 1 28 GLU HA 1 31 GLU H 3.900 . 3.900 3.361 3.175 3.466 . 0 0 "[ . 1 ]" 1
456 1 50 MET HA 1 51 ASN H 3.000 . 3.000 2.137 2.037 2.264 . 0 0 "[ . 1 ]" 1
457 1 59 TYR H 1 60 LYS HA 4.900 . 4.900 4.301 4.253 4.340 . 0 0 "[ . 1 ]" 1
458 1 65 SER QB 1 66 VAL H 3.400 . 3.400 2.698 2.434 3.414 0.014 4 0 "[ . 1 ]" 1
459 1 60 LYS HA 1 61 ILE H 3.300 . 3.300 2.843 2.808 2.870 . 0 0 "[ . 1 ]" 1
460 1 60 LYS H 1 60 LYS HA 2.900 . 2.900 2.262 2.258 2.265 . 0 0 "[ . 1 ]" 1
461 1 62 LEU H 1 65 SER QB 3.700 . 3.700 3.017 2.573 3.196 . 0 0 "[ . 1 ]" 1
462 1 65 SER H 1 65 SER QB 3.100 . 3.100 2.394 2.301 2.419 . 0 0 "[ . 1 ]" 1
463 1 24 GLU HA 1 27 LYS H 4.300 . 4.300 3.382 3.311 3.479 . 0 0 "[ . 1 ]" 1
464 1 63 GLY HA2 1 64 GLY H 3.600 . 3.600 2.135 2.114 2.213 . 0 0 "[ . 1 ]" 1
465 1 38 PRO HD2 1 39 GLN H 4.400 . 4.400 2.706 2.486 2.875 . 0 0 "[ . 1 ]" 1
466 1 31 GLU HA 1 34 GLU H 4.300 . 4.300 3.883 3.776 4.005 . 0 0 "[ . 1 ]" 1
467 1 31 GLU HA 1 35 GLY H 3.700 . 3.700 3.075 2.852 3.664 . 0 0 "[ . 1 ]" 1
468 1 59 TYR HB2 1 60 LYS H 4.700 . 4.700 3.978 3.944 4.009 . 0 0 "[ . 1 ]" 1
469 1 61 ILE HA 1 62 LEU H 2.900 . 2.900 2.172 2.144 2.244 . 0 0 "[ . 1 ]" 1
470 1 59 TYR H 1 59 TYR HB2 3.700 . 3.700 2.487 2.454 2.522 . 0 0 "[ . 1 ]" 1
471 1 30 VAL HA 1 34 GLU H 4.700 . 4.700 4.075 3.843 4.252 . 0 0 "[ . 1 ]" 1
472 1 30 VAL HA 1 33 LYS H 4.200 . 4.200 3.421 3.274 3.524 . 0 0 "[ . 1 ]" 1
473 1 23 VAL HA 1 25 ARG H 4.600 . 4.600 4.149 4.011 4.268 . 0 0 "[ . 1 ]" 1
474 1 25 ARG H 1 25 ARG HD3 5.200 . 5.200 4.454 3.702 4.946 . 0 0 "[ . 1 ]" 1
475 1 26 ILE HA 1 29 ARG H 3.900 . 3.900 3.427 3.297 3.589 . 0 0 "[ . 1 ]" 1
476 1 45 TYR H 1 45 TYR HB3 3.900 . 3.900 2.917 2.856 2.997 . 0 0 "[ . 1 ]" 1
477 1 51 ASN HB3 1 52 ASP H 4.200 . 4.200 2.831 2.555 3.505 . 0 0 "[ . 1 ]" 1
478 1 51 ASN H 1 51 ASN HB3 3.800 . 3.800 3.596 2.829 3.760 . 0 0 "[ . 1 ]" 1
479 1 51 ASN HB3 1 54 LYS H 4.100 . 4.100 3.579 2.789 3.819 . 0 0 "[ . 1 ]" 1
480 1 51 ASN HB3 1 53 GLU H 4.200 . 4.200 2.502 2.427 2.632 . 0 0 "[ . 1 ]" 1
481 1 68 HIS H 1 68 HIS HB3 3.900 . 3.900 3.643 3.570 3.715 . 0 0 "[ . 1 ]" 1
482 1 58 ASP H 1 58 ASP HB3 3.500 . 3.500 3.541 3.525 3.547 0.047 6 0 "[ . 1 ]" 1
483 1 58 ASP HB3 1 59 TYR H 4.200 . 4.200 3.900 3.836 3.951 . 0 0 "[ . 1 ]" 1
484 1 55 THR H 1 58 ASP HB3 4.100 . 4.100 3.961 3.782 4.089 . 0 0 "[ . 1 ]" 1
485 1 21 ASP H 1 21 ASP HB2 3.700 . 3.700 2.450 2.306 3.670 . 0 0 "[ . 1 ]" 1
486 1 68 HIS H 1 68 HIS HB2 3.900 . 3.900 2.432 2.328 2.530 . 0 0 "[ . 1 ]" 1
487 1 51 ASN HB2 1 52 ASP H 4.400 . 4.400 3.986 3.857 4.130 . 0 0 "[ . 1 ]" 1
488 1 51 ASN H 1 51 ASN HB2 3.300 . 3.300 2.480 2.365 2.642 . 0 0 "[ . 1 ]" 1
489 1 16 ASP H 1 16 ASP HB3 3.800 . 3.800 3.474 3.266 3.800 . 0 0 "[ . 1 ]" 1
490 1 16 ASP HB3 1 17 ILE H 4.700 . 4.700 3.980 3.482 4.289 . 0 0 "[ . 1 ]" 1
491 1 24 GLU H 1 52 ASP QB 4.100 . 4.100 4.026 3.930 4.141 0.041 10 0 "[ . 1 ]" 1
492 1 45 TYR H 1 45 TYR HB2 3.900 . 3.900 3.013 2.692 3.226 . 0 0 "[ . 1 ]" 1
493 1 52 ASP H 1 52 ASP QB 3.100 . 3.100 2.395 2.333 2.643 . 0 0 "[ . 1 ]" 1
494 1 52 ASP QB 1 53 GLU H 3.700 . 3.700 3.237 3.069 3.724 0.024 6 0 "[ . 1 ]" 1
495 1 28 GLU H 1 28 GLU HG3 3.900 . 3.900 2.962 2.431 3.589 . 0 0 "[ . 1 ]" 1
496 1 27 LYS H 1 27 LYS QE 4.700 . 4.700 4.515 4.397 4.715 0.015 11 0 "[ . 1 ]" 1
497 1 30 VAL HB 1 31 GLU H 3.400 . 3.400 2.572 2.480 2.714 . 0 0 "[ . 1 ]" 1
498 1 30 VAL H 1 30 VAL HB 3.100 . 3.100 2.654 2.500 2.765 . 0 0 "[ . 1 ]" 1
499 1 28 GLU HG3 1 29 ARG H 5.100 . 5.100 4.289 2.734 4.923 . 0 0 "[ . 1 ]" 1
500 1 23 VAL H 1 23 VAL HB 3.200 . 3.200 2.842 2.678 2.921 . 0 0 "[ . 1 ]" 1
501 1 23 VAL HB 1 54 LYS H 4.900 . 4.900 4.412 4.070 4.609 . 0 0 "[ . 1 ]" 1
502 1 23 VAL HB 1 24 GLU H 3.600 . 3.600 2.705 2.579 2.784 . 0 0 "[ . 1 ]" 1
503 1 59 TYR H 1 59 TYR HB3 3.700 . 3.700 3.684 3.663 3.710 0.010 10 0 "[ . 1 ]" 1
504 1 59 TYR HB3 1 60 LYS H 4.700 . 4.700 4.385 4.375 4.397 . 0 0 "[ . 1 ]" 1
505 1 39 GLN H 1 39 GLN QG 3.600 . 3.600 2.418 2.371 2.459 . 0 0 "[ . 1 ]" 1
506 1 41 GLN H 1 41 GLN HG3 3.600 . 3.600 2.958 1.957 3.248 . 0 0 "[ . 1 ]" 1
507 1 21 ASP H 1 21 ASP HB3 3.700 . 3.700 3.516 2.830 3.594 . 0 0 "[ . 1 ]" 1
508 1 28 GLU H 1 28 GLU HB3 3.700 . 3.700 3.414 2.629 3.598 . 0 0 "[ . 1 ]" 1
509 1 40 GLN H 1 40 GLN HG3 3.800 . 3.800 2.932 2.779 3.808 0.008 6 0 "[ . 1 ]" 1
510 1 40 GLN HB3 1 72 ALA H 4.300 . 4.300 3.165 2.883 3.655 . 0 0 "[ . 1 ]" 1
511 1 31 GLU H 1 31 GLU HB3 3.300 . 3.300 2.585 2.531 2.641 . 0 0 "[ . 1 ]" 1
512 1 31 GLU HB3 1 32 GLU H 3.600 . 3.600 2.514 2.450 2.629 . 0 0 "[ . 1 ]" 1
513 1 53 GLU H 1 53 GLU HG3 4.100 . 4.100 3.038 2.776 3.901 . 0 0 "[ . 1 ]" 1
514 1 40 GLN H 1 40 GLN HG2 3.800 . 3.800 3.634 2.527 3.819 0.019 9 0 "[ . 1 ]" 1
515 1 22 LYS HB3 1 23 VAL H 3.600 . 3.600 2.748 2.681 2.814 . 0 0 "[ . 1 ]" 1
516 1 18 GLU H 1 18 GLU HG3 4.300 . 4.300 2.982 2.851 3.870 . 0 0 "[ . 1 ]" 1
517 1 22 LYS H 1 22 LYS HB3 3.900 . 3.900 3.599 3.563 3.625 . 0 0 "[ . 1 ]" 1
518 1 22 LYS HB3 1 25 ARG H 4.500 . 4.500 3.525 3.386 3.650 . 0 0 "[ . 1 ]" 1
519 1 22 LYS HB3 1 24 GLU H 3.500 . 3.500 2.754 2.693 2.833 . 0 0 "[ . 1 ]" 1
520 1 1 MET QG 1 2 LEU H 4.200 . 4.200 3.762 3.641 3.978 . 0 0 "[ . 1 ]" 1
521 1 1 MET QG 1 63 GLY H 4.600 . 4.600 2.794 2.241 3.648 . 0 0 "[ . 1 ]" 1
522 1 16 ASP H 1 16 ASP HB2 3.800 . 3.800 3.385 2.602 3.821 0.021 7 0 "[ . 1 ]" 1
523 1 58 ASP H 1 58 ASP HB2 3.500 . 3.500 2.277 2.234 2.298 . 0 0 "[ . 1 ]" 1
524 1 54 LYS H 1 54 LYS HB2 3.200 . 3.200 2.449 2.396 2.493 . 0 0 "[ . 1 ]" 1
525 1 28 GLU HG2 1 29 ARG H 5.100 . 5.100 4.447 2.458 5.080 . 0 0 "[ . 1 ]" 1
526 1 16 ASP HB2 1 17 ILE H 4.700 . 4.700 3.829 3.376 4.420 . 0 0 "[ . 1 ]" 1
527 1 58 ASP HB2 1 59 TYR H 4.200 . 4.200 3.266 3.208 3.332 . 0 0 "[ . 1 ]" 1
528 1 54 LYS HB2 1 55 THR H 3.900 . 3.900 3.531 3.346 3.651 . 0 0 "[ . 1 ]" 1
529 1 55 THR H 1 58 ASP HB2 4.100 . 4.100 2.627 2.449 2.765 . 0 0 "[ . 1 ]" 1
530 1 12 GLU H 1 12 GLU QG 4.000 . 4.000 2.586 2.003 2.838 . 0 0 "[ . 1 ]" 1
531 1 31 GLU H 1 38 PRO HB3 5.600 . 5.600 5.218 4.666 5.604 0.004 7 0 "[ . 1 ]" 1
532 1 28 GLU H 1 28 GLU HG2 3.900 . 3.900 3.058 2.142 3.674 . 0 0 "[ . 1 ]" 1
533 1 28 GLU H 1 38 PRO HB3 4.300 . 4.300 4.112 3.638 4.330 0.030 8 0 "[ . 1 ]" 1
534 1 32 GLU H 1 32 GLU HB3 4.000 . 4.000 3.383 2.790 3.597 . 0 0 "[ . 1 ]" 1
535 1 32 GLU HB3 1 33 LYS H 4.500 . 4.500 3.978 3.837 4.302 . 0 0 "[ . 1 ]" 1
536 1 32 GLU HG2 1 33 LYS H 4.900 . 4.900 4.500 3.170 4.996 0.096 10 0 "[ . 1 ]" 1
537 1 53 GLU H 1 53 GLU HG2 4.100 . 4.100 3.762 2.856 4.037 . 0 0 "[ . 1 ]" 1
538 1 49 GLN H 1 49 GLN QG 4.400 . 4.400 3.302 1.947 4.184 . 0 0 "[ . 1 ]" 1
539 1 18 GLU H 1 18 GLU HG2 4.300 . 4.300 3.882 2.903 4.012 . 0 0 "[ . 1 ]" 1
540 1 27 LYS H 1 38 PRO HB3 5.200 . 5.200 4.996 4.837 5.207 0.007 3 0 "[ . 1 ]" 1
541 1 38 PRO HB3 1 39 GLN H 4.500 . 4.500 4.101 3.961 4.230 . 0 0 "[ . 1 ]" 1
542 1 38 PRO HG3 1 39 GLN H 4.700 . 4.700 4.373 3.869 4.650 . 0 0 "[ . 1 ]" 1
543 1 50 MET H 1 50 MET QG 3.200 . 3.200 2.325 1.719 2.775 . 0 0 "[ . 1 ]" 1
544 1 22 LYS H 1 24 GLU QG 4.900 . 4.900 4.621 4.500 4.750 . 0 0 "[ . 1 ]" 1
545 1 24 GLU QG 1 25 ARG H 3.200 . 3.200 2.404 2.311 2.479 . 0 0 "[ . 1 ]" 1
546 1 24 GLU H 1 24 GLU QG 3.600 . 3.600 2.004 1.986 2.050 . 0 0 "[ . 1 ]" 1
547 1 14 GLU H 1 14 GLU QG 3.800 . 3.800 3.033 2.986 3.142 . 0 0 "[ . 1 ]" 1
548 1 45 TYR H 1 50 MET QG 4.000 . 4.000 3.650 3.181 4.401 0.401 2 0 "[ . 1 ]" 1
549 1 14 GLU QG 1 15 ILE H 4.500 . 4.500 3.960 3.813 4.043 . 0 0 "[ . 1 ]" 1
550 1 25 ARG HB3 1 26 ILE H 4.000 . 4.000 3.253 2.652 3.576 . 0 0 "[ . 1 ]" 1
551 1 53 GLU H 1 53 GLU HB3 3.800 . 3.800 3.609 3.594 3.632 . 0 0 "[ . 1 ]" 1
552 1 29 ARG HB2 1 30 VAL H 3.800 . 3.800 3.097 2.526 3.718 . 0 0 "[ . 1 ]" 1
553 1 28 GLU H 1 28 GLU HB2 3.700 . 3.700 2.614 2.369 3.650 . 0 0 "[ . 1 ]" 1
554 1 29 ARG H 1 29 ARG HB2 3.700 . 3.700 2.371 2.245 2.508 . 0 0 "[ . 1 ]" 1
555 1 34 GLU H 1 34 GLU HB3 3.800 . 3.800 3.131 2.879 3.389 . 0 0 "[ . 1 ]" 1
556 1 34 GLU H 1 34 GLU HG3 4.800 . 4.800 4.051 3.559 4.521 . 0 0 "[ . 1 ]" 1
557 1 60 LYS H 1 60 LYS HB3 4.100 . 4.100 3.089 3.072 3.100 . 0 0 "[ . 1 ]" 1
558 1 34 GLU HB3 1 35 GLY H 4.400 . 4.400 3.116 2.795 3.441 . 0 0 "[ . 1 ]" 1
559 1 17 ILE HB 1 18 GLU H 3.000 . 3.000 2.384 2.297 2.466 . 0 0 "[ . 1 ]" 1
560 1 54 LYS H 1 54 LYS HB3 3.900 . 3.900 3.660 3.631 3.684 . 0 0 "[ . 1 ]" 1
561 1 32 GLU H 1 32 GLU HB2 4.000 . 4.000 2.761 2.406 3.620 . 0 0 "[ . 1 ]" 1
562 1 17 ILE H 1 17 ILE HB 4.100 . 4.100 3.880 3.865 3.898 . 0 0 "[ . 1 ]" 1
563 1 32 GLU HB2 1 33 LYS H 4.500 . 4.500 3.225 2.931 3.944 . 0 0 "[ . 1 ]" 1
564 1 54 LYS HB3 1 55 THR H 3.300 . 3.300 2.251 2.116 2.335 . 0 0 "[ . 1 ]" 1
565 1 1 MET HB3 1 2 LEU H 4.700 . 4.700 2.985 2.778 3.736 . 0 0 "[ . 1 ]" 1
566 1 24 GLU H 1 24 GLU HB3 3.700 . 3.700 2.733 2.690 2.757 . 0 0 "[ . 1 ]" 1
567 1 39 GLN QB 1 40 GLN H 3.800 . 3.800 2.983 2.833 3.221 . 0 0 "[ . 1 ]" 1
568 1 39 GLN H 1 39 GLN QB 3.300 . 3.300 2.334 2.314 2.358 . 0 0 "[ . 1 ]" 1
569 1 18 GLU HB3 1 21 ASP H 3.900 . 3.900 3.878 3.740 3.923 0.023 11 0 "[ . 1 ]" 1
570 1 25 ARG HB2 1 26 ILE H 4.000 . 4.000 3.007 2.689 3.585 . 0 0 "[ . 1 ]" 1
571 1 26 ILE H 1 26 ILE HB 3.700 . 3.700 2.598 2.560 2.654 . 0 0 "[ . 1 ]" 1
572 1 26 ILE HB 1 27 LYS H 3.300 . 3.300 2.813 2.746 2.884 . 0 0 "[ . 1 ]" 1
573 1 27 LYS H 1 27 LYS HB2 3.500 . 3.500 2.630 2.572 2.709 . 0 0 "[ . 1 ]" 1
574 1 70 VAL H 1 70 VAL HB 3.700 . 3.700 3.393 2.639 3.751 0.051 6 0 "[ . 1 ]" 1
575 1 70 VAL HB 1 71 LEU H 4.200 . 4.200 3.634 2.979 4.285 0.085 11 0 "[ . 1 ]" 1
576 1 27 LYS HB2 1 28 GLU H 3.600 . 3.600 2.681 2.615 2.733 . 0 0 "[ . 1 ]" 1
577 1 25 ARG H 1 25 ARG HB2 3.900 . 3.900 2.315 2.142 2.378 . 0 0 "[ . 1 ]" 1
578 1 33 LYS HB3 1 34 GLU H 3.700 . 3.700 2.766 2.609 2.941 . 0 0 "[ . 1 ]" 1
579 1 33 LYS H 1 33 LYS HB3 3.700 . 3.700 3.256 3.069 3.422 . 0 0 "[ . 1 ]" 1
580 1 53 GLU H 1 53 GLU HB2 3.800 . 3.800 2.365 2.344 2.396 . 0 0 "[ . 1 ]" 1
581 1 31 GLU HG2 1 35 GLY H 4.500 . 4.500 4.321 4.134 4.499 . 0 0 "[ . 1 ]" 1
582 1 1 MET HB2 1 2 LEU H 4.700 . 4.700 3.948 2.635 4.261 . 0 0 "[ . 1 ]" 1
583 1 60 LYS H 1 60 LYS HB2 4.100 . 4.100 4.027 4.020 4.033 . 0 0 "[ . 1 ]" 1
584 1 49 GLN QB 1 50 MET H 3.900 . 3.900 2.309 1.108 3.036 . 0 0 "[ . 1 ]" 1
585 1 49 GLN H 1 49 GLN QB 3.700 . 3.700 2.705 2.341 3.021 . 0 0 "[ . 1 ]" 1
586 1 66 VAL H 1 66 VAL HB 3.200 . 3.200 2.711 2.673 2.746 . 0 0 "[ . 1 ]" 1
587 1 38 PRO HB2 1 39 GLN H 3.900 . 3.900 2.954 2.587 3.418 . 0 0 "[ . 1 ]" 1
588 1 31 GLU H 1 31 GLU HB2 3.200 . 3.200 2.431 2.385 2.481 . 0 0 "[ . 1 ]" 1
589 1 31 GLU HB2 1 32 GLU H 4.000 . 4.000 3.809 3.739 3.890 . 0 0 "[ . 1 ]" 1
590 1 12 GLU H 1 12 GLU HB3 3.900 . 3.900 3.442 2.988 3.610 . 0 0 "[ . 1 ]" 1
591 1 41 GLN QB 1 42 ARG H 4.000 . 4.000 3.107 2.800 3.507 . 0 0 "[ . 1 ]" 1
592 1 41 GLN H 1 41 GLN QB 3.300 . 3.300 2.540 2.429 3.236 . 0 0 "[ . 1 ]" 1
593 1 24 GLU H 1 24 GLU HB2 3.700 . 3.700 3.619 3.615 3.622 . 0 0 "[ . 1 ]" 1
594 1 48 LYS QB 1 49 GLN H 4.200 . 4.200 2.771 2.541 3.074 . 0 0 "[ . 1 ]" 1
595 1 48 LYS H 1 48 LYS QB 3.100 . 3.100 2.441 2.332 2.590 . 0 0 "[ . 1 ]" 1
596 1 3 ILE H 1 3 ILE HB 4.200 . 4.200 3.833 3.778 3.873 . 0 0 "[ . 1 ]" 1
597 1 26 ILE H 1 26 ILE HG12 3.600 . 3.600 3.589 3.488 3.627 0.027 6 0 "[ . 1 ]" 1
598 1 3 ILE HB 1 4 LYS H 3.200 . 3.200 2.665 2.542 2.850 . 0 0 "[ . 1 ]" 1
599 1 3 ILE HB 1 65 SER H 4.900 . 4.900 4.587 4.372 4.847 . 0 0 "[ . 1 ]" 1
600 1 40 GLN H 1 40 GLN HB2 3.200 . 3.200 2.478 2.369 2.693 . 0 0 "[ . 1 ]" 1
601 1 31 GLU H 1 31 GLU HG3 5.100 . 5.100 4.428 4.393 4.457 . 0 0 "[ . 1 ]" 1
602 1 29 ARG HB3 1 30 VAL H 3.800 . 3.800 3.172 2.545 3.671 . 0 0 "[ . 1 ]" 1
603 1 29 ARG H 1 29 ARG HB3 3.700 . 3.700 3.244 2.737 3.620 . 0 0 "[ . 1 ]" 1
604 1 31 GLU HG3 1 32 GLU H 4.800 . 4.800 4.848 4.809 4.899 0.099 3 0 "[ . 1 ]" 1
605 1 31 GLU HG3 1 35 GLY H 5.500 . 5.500 4.855 4.459 5.521 0.021 2 0 "[ . 1 ]" 1
606 1 13 ILE H 1 13 ILE HB 3.400 . 3.400 2.473 2.432 2.555 . 0 0 "[ . 1 ]" 1
607 1 5 VAL H 1 5 VAL HB 3.200 . 3.200 2.777 2.671 2.964 . 0 0 "[ . 1 ]" 1
608 1 33 LYS HB2 1 34 GLU H 3.700 . 3.700 3.087 2.867 3.357 . 0 0 "[ . 1 ]" 1
609 1 33 LYS H 1 33 LYS HB2 3.700 . 3.700 2.133 2.092 2.162 . 0 0 "[ . 1 ]" 1
610 1 44 ILE H 1 44 ILE HB 3.400 . 3.400 2.724 2.440 2.890 . 0 0 "[ . 1 ]" 1
611 1 48 LYS H 1 48 LYS QD 4.900 . 4.900 4.245 4.068 4.507 . 0 0 "[ . 1 ]" 1
612 1 42 ARG H 1 42 ARG HB3 3.900 . 3.900 3.435 3.036 3.759 . 0 0 "[ . 1 ]" 1
613 1 11 LYS H 1 11 LYS HB3 3.500 . 3.500 3.342 3.070 3.556 0.056 10 0 "[ . 1 ]" 1
614 1 44 ILE HB 1 68 HIS H 4.600 . 4.600 4.486 4.282 4.707 0.107 7 0 "[ . 1 ]" 1
615 1 67 LEU H 1 67 LEU HG 3.700 . 3.700 2.837 2.681 3.044 . 0 0 "[ . 1 ]" 1
616 1 22 LYS HB2 1 23 VAL H 4.200 . 4.200 3.958 3.899 4.028 . 0 0 "[ . 1 ]" 1
617 1 22 LYS QD 1 23 VAL H 4.600 . 4.600 3.649 3.133 4.187 . 0 0 "[ . 1 ]" 1
618 1 22 LYS H 1 22 LYS HB2 3.000 . 3.000 2.367 2.294 2.417 . 0 0 "[ . 1 ]" 1
619 1 22 LYS HB2 1 25 ARG H 3.300 . 3.300 3.110 2.989 3.258 . 0 0 "[ . 1 ]" 1
620 1 22 LYS HB2 1 24 GLU H 4.000 . 4.000 3.755 3.570 3.971 . 0 0 "[ . 1 ]" 1
621 1 60 LYS H 1 60 LYS QD 4.500 . 4.500 4.338 4.265 4.398 . 0 0 "[ . 1 ]" 1
622 1 12 GLU HB2 1 13 ILE H 4.600 . 4.600 4.193 3.475 4.461 . 0 0 "[ . 1 ]" 1
623 1 12 GLU H 1 12 GLU HB2 3.900 . 3.900 2.716 2.343 3.680 . 0 0 "[ . 1 ]" 1
624 1 6 LYS HB3 1 69 LEU H 4.700 . 4.700 4.085 2.976 4.680 . 0 0 "[ . 1 ]" 1
625 1 4 LYS H 1 4 LYS HB3 3.900 . 3.900 3.712 3.671 3.737 . 0 0 "[ . 1 ]" 1
626 1 27 LYS H 1 27 LYS QD 4.100 . 4.100 3.989 3.885 4.090 . 0 0 "[ . 1 ]" 1
627 1 33 LYS H 1 33 LYS QD 4.800 . 4.800 4.438 4.230 4.595 . 0 0 "[ . 1 ]" 1
628 1 41 GLN H 1 41 GLN HG2 4.200 . 4.200 3.927 3.485 4.174 . 0 0 "[ . 1 ]" 1
629 1 34 GLU HB2 1 35 GLY H 4.400 . 4.400 3.508 3.129 4.095 . 0 0 "[ . 1 ]" 1
630 1 71 LEU HG 1 72 ALA H 5.100 . 5.100 3.063 1.829 4.419 . 0 0 "[ . 1 ]" 1
631 1 71 LEU H 1 71 LEU HB3 3.700 . 3.700 3.232 2.663 3.663 . 0 0 "[ . 1 ]" 1
632 1 11 LYS H 1 11 LYS HB2 3.500 . 3.500 2.643 2.569 2.855 . 0 0 "[ . 1 ]" 1
633 1 18 GLU H 1 18 GLU HB2 3.500 . 3.500 2.359 2.336 2.380 . 0 0 "[ . 1 ]" 1
634 1 34 GLU H 1 34 GLU HB2 3.800 . 3.800 2.355 2.191 2.680 . 0 0 "[ . 1 ]" 1
635 1 2 LEU H 1 2 LEU HB3 3.800 . 3.800 3.592 3.210 3.771 . 0 0 "[ . 1 ]" 1
636 1 50 MET H 1 50 MET HB3 3.900 . 3.900 3.569 3.393 3.635 . 0 0 "[ . 1 ]" 1
637 1 18 GLU HB2 1 21 ASP H 3.700 . 3.700 3.597 3.541 3.699 . 0 0 "[ . 1 ]" 1
638 1 2 LEU HB3 1 3 ILE H 4.200 . 4.200 3.229 2.736 3.956 . 0 0 "[ . 1 ]" 1
639 1 54 LYS H 1 54 LYS HG3 3.800 . 3.800 3.231 2.870 3.809 0.009 4 0 "[ . 1 ]" 1
640 1 62 LEU H 1 62 LEU QB 3.200 . 3.200 2.583 2.446 2.658 . 0 0 "[ . 1 ]" 1
641 1 73 LEU H 1 73 LEU QB 3.400 . 3.400 2.625 2.362 3.226 . 0 0 "[ . 1 ]" 1
642 1 73 LEU H 1 73 LEU HG 3.800 . 3.800 3.291 2.257 3.762 . 0 0 "[ . 1 ]" 1
643 1 62 LEU QB 1 65 SER H 4.800 . 4.800 4.570 4.188 4.660 . 0 0 "[ . 1 ]" 1
644 1 54 LYS QD 1 55 THR H 4.100 . 4.100 3.826 3.207 4.116 0.016 5 0 "[ . 1 ]" 1
645 1 62 LEU QB 1 63 GLY H 3.300 . 3.300 2.437 2.157 3.153 . 0 0 "[ . 1 ]" 1
646 1 67 LEU H 1 67 LEU QB 3.400 . 3.400 2.502 2.401 2.727 . 0 0 "[ . 1 ]" 1
647 1 69 LEU H 1 69 LEU HB3 3.500 . 3.500 2.816 2.561 2.935 . 0 0 "[ . 1 ]" 1
648 1 6 LYS QD 1 7 THR H 5.500 . 5.500 5.037 4.674 5.227 . 0 0 "[ . 1 ]" 1
649 1 33 LYS H 1 33 LYS QG 3.700 . 3.700 3.508 3.255 3.661 . 0 0 "[ . 1 ]" 1
650 1 42 ARG HB2 1 70 VAL H 4.900 . 4.900 3.646 2.902 4.700 . 0 0 "[ . 1 ]" 1
651 1 69 LEU HB3 1 70 VAL H 5.400 . 5.400 4.177 3.813 4.367 . 0 0 "[ . 1 ]" 1
652 1 15 ILE HB 1 16 ASP H 3.800 . 3.800 2.478 2.398 2.722 . 0 0 "[ . 1 ]" 1
653 1 15 ILE H 1 15 ILE HB 4.100 . 4.100 3.685 3.614 3.793 . 0 0 "[ . 1 ]" 1
654 1 67 LEU QB 1 68 HIS H 3.500 . 3.500 2.683 2.476 2.900 . 0 0 "[ . 1 ]" 1
655 1 43 LEU HB3 1 44 ILE H 4.500 . 4.500 4.095 3.994 4.215 . 0 0 "[ . 1 ]" 1
656 1 42 ARG H 1 42 ARG HB2 3.900 . 3.900 2.568 2.342 2.823 . 0 0 "[ . 1 ]" 1
657 1 43 LEU H 1 43 LEU HB3 3.700 . 3.700 2.794 2.689 2.970 . 0 0 "[ . 1 ]" 1
658 1 71 LEU H 1 71 LEU HB2 3.700 . 3.700 2.735 2.358 3.224 . 0 0 "[ . 1 ]" 1
659 1 2 LEU H 1 2 LEU HB2 3.800 . 3.800 2.872 2.337 3.794 . 0 0 "[ . 1 ]" 1
660 1 48 LYS H 1 48 LYS QG 3.900 . 3.900 3.020 2.808 3.286 . 0 0 "[ . 1 ]" 1
661 1 2 LEU HB2 1 3 ILE H 4.200 . 4.200 3.753 2.759 4.221 0.021 5 0 "[ . 1 ]" 1
662 1 4 LYS H 1 4 LYS HB2 3.900 . 3.900 2.525 2.459 2.564 . 0 0 "[ . 1 ]" 1
663 1 27 LYS HB3 1 28 GLU H 4.200 . 4.200 3.824 3.718 3.888 . 0 0 "[ . 1 ]" 1
664 1 54 LYS H 1 54 LYS HG2 3.800 . 3.800 3.466 2.835 3.817 0.017 7 0 "[ . 1 ]" 1
665 1 43 LEU HG 1 50 MET H 5.600 . 5.600 5.486 5.191 5.617 0.017 11 0 "[ . 1 ]" 1
666 1 13 ILE H 1 13 ILE HG12 3.800 . 3.800 3.869 3.853 3.888 0.088 5 0 "[ . 1 ]" 1
667 1 27 LYS H 1 27 LYS HG3 3.800 . 3.800 2.217 2.105 2.328 . 0 0 "[ . 1 ]" 1
668 1 22 LYS QG 1 23 VAL H 4.300 . 4.300 4.067 3.879 4.259 . 0 0 "[ . 1 ]" 1
669 1 22 LYS H 1 22 LYS QG 3.900 . 3.900 2.736 2.655 2.799 . 0 0 "[ . 1 ]" 1
670 1 59 TYR H 1 60 LYS QG 4.800 . 4.800 4.804 4.763 4.822 0.022 5 0 "[ . 1 ]" 1
671 1 11 LYS HG3 1 12 GLU H 4.000 . 4.000 4.008 3.739 4.062 0.062 11 0 "[ . 1 ]" 1
672 1 60 LYS H 1 60 LYS QG 3.500 . 3.500 3.163 3.124 3.192 . 0 0 "[ . 1 ]" 1
673 1 61 ILE HB 1 62 LEU H 4.400 . 4.400 4.019 3.640 4.194 . 0 0 "[ . 1 ]" 1
674 1 61 ILE H 1 61 ILE HB 3.000 . 3.000 2.672 2.583 2.855 . 0 0 "[ . 1 ]" 1
675 1 21 ASP H 1 56 ALA MB 4.200 . 4.200 3.933 3.714 4.142 . 0 0 "[ . 1 ]" 1
676 1 56 ALA H 1 56 ALA MB 3.000 . 3.000 2.196 2.149 2.213 . 0 0 "[ . 1 ]" 1
677 1 44 ILE HG12 1 70 VAL H 5.200 . 5.200 4.365 3.168 5.420 0.220 9 0 "[ . 1 ]" 1
678 1 69 LEU HG 1 70 VAL H 4.900 . 4.900 3.379 2.346 4.970 0.070 6 0 "[ . 1 ]" 1
679 1 6 LYS HB2 1 69 LEU H 4.700 . 4.700 3.891 3.116 4.709 0.009 5 0 "[ . 1 ]" 1
680 1 44 ILE H 1 44 ILE HG12 4.400 . 4.400 3.247 2.423 4.177 . 0 0 "[ . 1 ]" 1
681 1 57 ALA MB 1 58 ASP H 3.300 . 3.300 2.778 2.727 2.867 . 0 0 "[ . 1 ]" 1
682 1 56 ALA MB 1 57 ALA H 3.200 . 3.200 2.711 2.654 2.755 . 0 0 "[ . 1 ]" 1
683 1 27 LYS H 1 27 LYS HG2 3.800 . 3.800 3.062 2.711 3.173 . 0 0 "[ . 1 ]" 1
684 1 56 ALA MB 1 59 TYR H 5.000 . 5.000 4.578 4.538 4.648 . 0 0 "[ . 1 ]" 1
685 1 57 ALA MB 1 59 TYR H 5.300 . 5.300 4.313 4.281 4.363 . 0 0 "[ . 1 ]" 1
686 1 15 ILE H 1 15 ILE HG13 4.100 . 4.100 2.194 2.078 2.358 . 0 0 "[ . 1 ]" 1
687 1 72 ALA H 1 72 ALA MB 3.300 . 3.300 2.430 2.085 2.795 . 0 0 "[ . 1 ]" 1
688 1 43 LEU H 1 43 LEU HB2 3.700 . 3.700 2.602 2.270 2.802 . 0 0 "[ . 1 ]" 1
689 1 72 ALA MB 1 73 LEU H 3.800 . 3.800 3.068 2.645 3.448 . 0 0 "[ . 1 ]" 1
690 1 3 ILE H 1 3 ILE HG13 3.800 . 3.800 2.278 2.143 2.377 . 0 0 "[ . 1 ]" 1
691 1 11 LYS HG2 1 12 GLU H 4.000 . 4.000 3.449 3.050 3.741 . 0 0 "[ . 1 ]" 1
692 1 20 THR MG 1 21 ASP H 4.200 . 4.200 3.932 2.883 4.266 0.066 2 0 "[ . 1 ]" 1
693 1 61 ILE H 1 61 ILE HG13 3.600 . 3.600 2.259 2.091 3.525 . 0 0 "[ . 1 ]" 1
694 1 7 THR MG 1 8 LEU H 4.400 . 4.400 2.027 1.922 2.416 . 0 0 "[ . 1 ]" 1
695 1 7 THR H 1 7 THR MG 3.700 . 3.700 3.730 3.561 3.766 0.066 10 0 "[ . 1 ]" 1
696 1 23 VAL H 1 55 THR MG 4.500 . 4.500 3.691 3.267 3.819 . 0 0 "[ . 1 ]" 1
697 1 55 THR MG 1 56 ALA H 4.100 . 4.100 3.630 3.580 3.701 . 0 0 "[ . 1 ]" 1
698 1 55 THR MG 1 58 ASP H 4.700 . 4.700 4.690 4.614 4.728 0.028 6 0 "[ . 1 ]" 1
699 1 55 THR MG 1 57 ALA H 4.700 . 4.700 4.342 4.273 4.432 . 0 0 "[ . 1 ]" 1
700 1 22 LYS H 1 55 THR MG 4.700 . 4.700 3.673 3.458 3.905 . 0 0 "[ . 1 ]" 1
701 1 17 ILE H 1 17 ILE HG13 3.900 . 3.900 2.220 2.181 2.257 . 0 0 "[ . 1 ]" 1
702 1 55 THR H 1 55 THR MG 3.400 . 3.400 2.967 2.879 3.238 . 0 0 "[ . 1 ]" 1
703 1 44 ILE H 1 44 ILE HG13 4.400 . 4.400 3.705 2.518 4.158 . 0 0 "[ . 1 ]" 1
704 1 13 ILE H 1 13 ILE HG13 3.800 . 3.800 2.437 2.380 2.479 . 0 0 "[ . 1 ]" 1
705 1 69 LEU H 1 69 LEU HB2 3.500 . 3.500 2.959 2.689 3.146 . 0 0 "[ . 1 ]" 1
706 1 3 ILE H 1 3 ILE HG12 3.800 . 3.800 3.223 2.926 3.829 0.029 1 0 "[ . 1 ]" 1
707 1 66 VAL MG2 1 67 LEU H 4.400 . 4.400 4.241 4.113 4.282 . 0 0 "[ . 1 ]" 1
708 1 71 LEU MD2 1 72 ALA H 4.700 . 4.700 3.085 1.664 4.076 . 0 0 "[ . 1 ]" 1
709 1 15 ILE H 1 15 ILE HG12 4.100 . 4.100 3.102 2.951 3.330 . 0 0 "[ . 1 ]" 1
710 1 66 VAL H 1 66 VAL MG2 4.000 . 4.000 2.371 2.261 2.490 . 0 0 "[ . 1 ]" 1
711 1 23 VAL H 1 23 VAL MG2 4.000 . 4.000 1.823 1.745 1.947 . 0 0 "[ . 1 ]" 1
712 1 23 VAL MG2 1 50 MET H 5.300 . 5.300 5.209 4.936 5.364 0.064 5 0 "[ . 1 ]" 1
713 1 45 TYR H 1 50 MET ME 5.600 . 5.600 5.614 5.579 5.646 0.046 9 0 "[ . 1 ]" 1
714 1 30 VAL MG2 1 31 GLU H 4.200 . 4.200 3.708 3.554 3.885 . 0 0 "[ . 1 ]" 1
715 1 23 VAL MG2 1 51 ASN H 5.000 . 5.000 3.141 2.531 3.647 . 0 0 "[ . 1 ]" 1
716 1 50 MET ME 1 51 ASN H 5.400 . 5.400 4.593 4.083 5.030 . 0 0 "[ . 1 ]" 1
717 1 30 VAL H 1 30 VAL MG2 3.900 . 3.900 1.989 1.830 2.199 . 0 0 "[ . 1 ]" 1
718 1 23 VAL MG2 1 24 GLU H 4.400 . 4.400 3.656 3.595 3.767 . 0 0 "[ . 1 ]" 1
719 1 70 VAL MG1 1 71 LEU H 4.300 . 4.300 3.319 2.313 3.647 . 0 0 "[ . 1 ]" 1
720 1 36 ILE MG 1 40 GLN H 4.700 . 4.700 4.209 4.028 4.319 . 0 0 "[ . 1 ]" 1
721 1 62 LEU MD1 1 63 GLY H 5.600 . 5.600 4.053 2.878 4.685 . 0 0 "[ . 1 ]" 1
722 1 62 LEU MD2 1 63 GLY H 5.600 . 5.600 3.411 3.138 4.503 . 0 0 "[ . 1 ]" 1
723 1 13 ILE H 1 13 ILE MG 4.100 . 4.100 3.788 3.773 3.811 . 0 0 "[ . 1 ]" 1
724 1 17 ILE H 1 17 ILE HG12 3.900 . 3.900 3.856 3.815 3.897 . 0 0 "[ . 1 ]" 1
725 1 71 LEU MD1 1 72 ALA H 4.700 . 4.700 3.557 1.748 4.734 0.034 8 0 "[ . 1 ]" 1
726 1 70 VAL MG2 1 71 LEU H 4.300 . 4.300 4.208 4.005 4.396 0.096 1 0 "[ . 1 ]" 1
727 1 13 ILE MG 1 15 ILE H 5.600 . 5.600 4.059 3.852 4.254 . 0 0 "[ . 1 ]" 1
728 1 69 LEU MD2 1 70 VAL H 4.800 . 4.800 3.725 2.498 4.759 . 0 0 "[ . 1 ]" 1
729 1 70 VAL H 1 70 VAL MG2 4.700 . 4.700 2.246 1.818 2.583 . 0 0 "[ . 1 ]" 1
730 1 43 LEU MD1 1 69 LEU H 5.200 . 5.200 4.636 4.168 5.221 0.021 2 0 "[ . 1 ]" 1
731 1 43 LEU H 1 43 LEU MD1 4.500 . 4.500 4.119 3.720 4.277 . 0 0 "[ . 1 ]" 1
732 1 23 VAL MG1 1 51 ASN H 5.000 . 5.000 4.165 3.518 4.598 . 0 0 "[ . 1 ]" 1
733 1 42 ARG H 1 69 LEU MD2 4.700 . 4.700 3.391 2.329 4.673 . 0 0 "[ . 1 ]" 1
734 1 23 VAL H 1 23 VAL MG1 4.000 . 4.000 3.767 3.741 3.797 . 0 0 "[ . 1 ]" 1
735 1 43 LEU MD1 1 44 ILE H 3.900 . 3.900 3.452 3.227 3.674 . 0 0 "[ . 1 ]" 1
736 1 23 VAL MG1 1 24 GLU H 4.400 . 4.400 3.795 3.544 3.909 . 0 0 "[ . 1 ]" 1
737 1 17 ILE MG 1 18 GLU H 3.900 . 3.900 3.362 3.309 3.400 . 0 0 "[ . 1 ]" 1
738 1 26 ILE H 1 26 ILE HG13 3.600 . 3.600 2.087 2.019 2.126 . 0 0 "[ . 1 ]" 1
739 1 17 ILE H 1 17 ILE MG 3.600 . 3.600 3.374 3.345 3.409 . 0 0 "[ . 1 ]" 1
740 1 2 LEU H 1 2 LEU MD1 4.900 . 4.900 3.021 2.290 4.097 . 0 0 "[ . 1 ]" 1
741 1 13 ILE MD 1 14 GLU H 5.600 . 5.600 5.142 5.100 5.211 . 0 0 "[ . 1 ]" 1
742 1 14 GLU H 1 15 ILE MG 5.600 . 5.600 4.508 4.342 4.753 . 0 0 "[ . 1 ]" 1
743 1 15 ILE H 1 15 ILE MG 4.200 . 4.200 3.630 3.581 3.765 . 0 0 "[ . 1 ]" 1
744 1 3 ILE H 1 3 ILE MG 3.500 . 3.500 3.379 3.217 3.451 . 0 0 "[ . 1 ]" 1
745 1 15 ILE MG 1 29 ARG H 5.600 . 5.600 5.493 5.147 5.654 0.054 2 0 "[ . 1 ]" 1
746 1 17 ILE MG 1 29 ARG H 5.600 . 5.600 5.147 4.793 5.474 . 0 0 "[ . 1 ]" 1
747 1 3 ILE MG 1 4 LYS H 3.800 . 3.800 3.375 3.296 3.454 . 0 0 "[ . 1 ]" 1
748 1 3 ILE MG 1 65 SER H 3.600 . 3.600 2.303 2.001 2.514 . 0 0 "[ . 1 ]" 1
749 1 3 ILE MG 1 64 GLY H 3.900 . 3.900 2.346 2.074 2.726 . 0 0 "[ . 1 ]" 1
750 1 13 ILE H 1 13 ILE MD 4.300 . 4.300 3.184 2.935 3.342 . 0 0 "[ . 1 ]" 1
751 1 30 VAL H 1 30 VAL MG1 3.900 . 3.900 3.789 3.771 3.800 . 0 0 "[ . 1 ]" 1
752 1 30 VAL MG1 1 31 GLU H 4.200 . 4.200 3.591 3.512 3.680 . 0 0 "[ . 1 ]" 1
753 1 30 VAL MG1 1 41 GLN HE22 5.200 . 5.200 2.370 1.934 2.664 . 0 0 "[ . 1 ]" 1
754 1 69 LEU MD1 1 70 VAL H 4.800 . 4.800 3.808 2.575 4.750 . 0 0 "[ . 1 ]" 1
755 1 44 ILE H 1 44 ILE MG 4.600 . 4.600 3.824 3.585 3.974 . 0 0 "[ . 1 ]" 1
756 1 67 LEU QD 1 68 HIS H 3.800 . 3.800 3.314 3.131 3.510 . 0 0 "[ . 1 ]" 1
757 1 66 VAL MG1 1 67 LEU H 4.400 . 4.400 2.926 2.447 3.070 . 0 0 "[ . 1 ]" 1
758 1 44 ILE MG 1 50 MET H 5.200 . 5.200 4.419 3.929 4.806 . 0 0 "[ . 1 ]" 1
759 1 44 ILE MD 1 50 MET H 5.300 . 5.300 3.803 2.755 5.282 . 0 0 "[ . 1 ]" 1
760 1 44 ILE MG 1 45 TYR H 3.300 . 3.300 2.388 2.189 2.612 . 0 0 "[ . 1 ]" 1
761 1 5 VAL QG 1 13 ILE H 4.300 . 4.300 3.677 2.777 3.993 . 0 0 "[ . 1 ]" 1
762 1 5 VAL QG 1 69 LEU H 3.900 . 3.900 3.255 2.920 3.444 . 0 0 "[ . 1 ]" 1
763 1 5 VAL H 1 5 VAL QG 3.400 . 3.400 2.274 2.177 2.375 . 0 0 "[ . 1 ]" 1
764 1 66 VAL H 1 66 VAL MG1 4.000 . 4.000 3.885 3.857 3.909 . 0 0 "[ . 1 ]" 1
765 1 26 ILE MD 1 56 ALA H 3.600 . 3.600 3.457 3.296 3.617 0.017 5 0 "[ . 1 ]" 1
766 1 44 ILE MG 1 48 LYS H 3.500 . 3.500 2.937 2.214 3.469 . 0 0 "[ . 1 ]" 1
767 1 26 ILE H 1 26 ILE MG 4.200 . 4.200 3.798 3.788 3.811 . 0 0 "[ . 1 ]" 1
768 1 26 ILE MG 1 27 LYS H 3.800 . 3.800 3.705 3.634 3.807 0.007 2 0 "[ . 1 ]" 1
769 1 44 ILE MG 1 47 GLY H 3.800 . 3.800 2.795 2.434 3.260 . 0 0 "[ . 1 ]" 1
770 1 15 ILE MD 1 16 ASP H 5.000 . 5.000 4.313 4.203 4.590 . 0 0 "[ . 1 ]" 1
771 1 17 ILE MD 1 21 ASP H 4.700 . 4.700 4.643 4.514 4.714 0.014 8 0 "[ . 1 ]" 1
772 1 3 ILE MD 1 15 ILE H 4.900 . 4.900 4.341 3.182 4.702 . 0 0 "[ . 1 ]" 1
773 1 5 VAL QG 1 15 ILE H 5.600 . 5.600 4.208 4.061 4.508 . 0 0 "[ . 1 ]" 1
774 1 15 ILE H 1 15 ILE MD 5.300 . 5.300 3.880 3.789 4.007 . 0 0 "[ . 1 ]" 1
775 1 3 ILE H 1 3 ILE MD 4.200 . 4.200 3.781 2.898 4.011 . 0 0 "[ . 1 ]" 1
776 1 26 ILE MG 1 29 ARG H 4.800 . 4.800 4.636 4.509 4.802 0.002 5 0 "[ . 1 ]" 1
777 1 3 ILE MD 1 4 LYS H 4.600 . 4.600 4.188 3.691 4.496 . 0 0 "[ . 1 ]" 1
778 1 17 ILE MD 1 18 GLU H 4.000 . 4.000 3.514 3.472 3.575 . 0 0 "[ . 1 ]" 1
779 1 17 ILE H 1 17 ILE MD 4.000 . 4.000 3.226 3.122 3.277 . 0 0 "[ . 1 ]" 1
780 1 61 ILE MG 1 62 LEU H 3.500 . 3.500 2.499 2.166 2.807 . 0 0 "[ . 1 ]" 1
781 1 61 ILE H 1 61 ILE MG 3.800 . 3.800 3.820 3.798 3.832 0.032 3 0 "[ . 1 ]" 1
782 1 61 ILE MG 1 65 SER H 4.200 . 4.200 3.755 3.615 3.828 . 0 0 "[ . 1 ]" 1
783 1 61 ILE H 1 61 ILE MD 4.000 . 4.000 3.137 2.589 3.329 . 0 0 "[ . 1 ]" 1
784 1 59 TYR H 1 61 ILE MD 4.800 . 4.800 3.637 3.407 3.928 . 0 0 "[ . 1 ]" 1
785 1 61 ILE H 1 61 ILE HG12 3.600 . 3.600 3.480 1.941 3.658 0.058 10 0 "[ . 1 ]" 1
786 1 9 THR MG 1 11 LYS H 5.600 . 5.600 5.140 5.000 5.386 . 0 0 "[ . 1 ]" 1
787 1 66 VAL H 1 67 LEU H 5.100 . 5.100 4.333 4.263 4.495 . 0 0 "[ . 1 ]" 1
788 1 2 LEU H 1 63 GLY HA3 4.700 . 4.700 2.686 2.178 3.250 . 0 0 "[ . 1 ]" 1
789 1 2 LEU H 1 2 LEU MD2 4.900 . 4.900 3.888 2.106 4.524 . 0 0 "[ . 1 ]" 1
790 1 66 VAL HA 1 67 LEU H 3.000 . 3.000 2.147 2.130 2.233 . 0 0 "[ . 1 ]" 1
791 1 66 VAL HB 1 67 LEU H 4.800 . 4.800 4.199 3.939 4.263 . 0 0 "[ . 1 ]" 1
792 1 23 VAL H 1 24 GLU H 3.600 . 3.600 2.840 2.767 2.883 . 0 0 "[ . 1 ]" 1
793 1 45 TYR H 1 48 LYS QB 4.300 . 4.300 4.362 3.894 4.746 0.446 2 0 "[ . 1 ]" 1
794 1 44 ILE HB 1 45 TYR H 4.300 . 4.300 3.950 3.746 4.134 . 0 0 "[ . 1 ]" 1
795 1 18 GLU H 1 21 ASP H 4.400 . 4.400 4.353 4.237 4.406 0.006 10 0 "[ . 1 ]" 1
796 1 21 ASP H 1 22 LYS H 4.600 . 4.600 4.613 4.597 4.630 0.030 11 0 "[ . 1 ]" 1
797 1 52 ASP H 1 53 GLU H 3.600 . 3.600 2.702 2.662 2.752 . 0 0 "[ . 1 ]" 1
798 1 51 ASN HA 1 52 ASP H 2.800 . 2.800 2.299 2.200 2.432 . 0 0 "[ . 1 ]" 1
799 1 12 GLU HB3 1 13 ILE H 4.600 . 4.600 3.758 3.466 4.293 . 0 0 "[ . 1 ]" 1
800 1 43 LEU HB2 1 44 ILE H 4.500 . 4.500 4.447 4.372 4.549 0.049 9 0 "[ . 1 ]" 1
801 1 43 LEU HG 1 44 ILE H 3.800 . 3.800 3.130 2.911 3.448 . 0 0 "[ . 1 ]" 1
802 1 44 ILE H 1 68 HIS H 4.100 . 4.100 3.495 3.254 3.720 . 0 0 "[ . 1 ]" 1
803 1 44 ILE HG13 1 70 VAL H 5.200 . 5.200 4.354 3.704 5.203 0.003 3 0 "[ . 1 ]" 1
804 1 69 LEU HB2 1 70 VAL H 5.400 . 5.400 4.417 4.205 4.540 . 0 0 "[ . 1 ]" 1
805 1 42 ARG HB3 1 70 VAL H 4.900 . 4.900 3.555 2.984 4.071 . 0 0 "[ . 1 ]" 1
806 1 50 MET H 1 50 MET HB2 3.900 . 3.900 2.501 2.391 2.950 . 0 0 "[ . 1 ]" 1
807 1 5 VAL H 1 13 ILE H 3.800 . 3.800 3.142 2.770 3.435 . 0 0 "[ . 1 ]" 1
808 1 7 THR HB 1 11 LYS H 3.200 . 3.200 2.971 2.855 3.209 0.009 8 0 "[ . 1 ]" 1
809 1 30 VAL H 1 32 GLU H 5.300 . 5.300 4.230 4.148 4.326 . 0 0 "[ . 1 ]" 1
810 1 56 ALA H 1 58 ASP H 5.500 . 5.500 4.260 4.170 4.302 . 0 0 "[ . 1 ]" 1
811 1 51 ASN HB2 1 54 LYS H 4.400 . 4.400 3.391 3.212 4.415 0.015 3 0 "[ . 1 ]" 1
812 1 4 LYS H 1 66 VAL HA 4.000 . 4.000 3.159 2.821 3.523 . 0 0 "[ . 1 ]" 1
813 1 36 ILE MG 1 41 GLN H 4.700 . 4.700 4.635 4.368 4.720 0.020 4 0 "[ . 1 ]" 1
814 1 7 THR H 1 7 THR HB 4.100 . 4.100 3.043 2.953 3.289 . 0 0 "[ . 1 ]" 1
815 1 25 ARG HA 1 27 LYS H 4.900 . 4.900 4.189 4.111 4.270 . 0 0 "[ . 1 ]" 1
816 1 5 VAL QG 1 7 THR H 4.400 . 4.400 4.386 4.256 4.431 0.031 2 0 "[ . 1 ]" 1
817 1 34 GLU H 1 36 ILE H 4.800 . 4.800 4.007 3.795 4.245 . 0 0 "[ . 1 ]" 1
818 1 34 GLU H 1 35 GLY HA2 5.300 . 5.300 4.550 4.427 4.648 . 0 0 "[ . 1 ]" 1
819 1 51 ASN HA 1 53 GLU H 4.000 . 4.000 3.952 3.857 4.025 0.025 9 0 "[ . 1 ]" 1
820 1 63 GLY HA3 1 64 GLY H 3.600 . 3.600 3.356 3.315 3.452 . 0 0 "[ . 1 ]" 1
821 1 7 THR HB 1 10 GLY H 3.100 . 3.100 3.106 3.072 3.116 0.016 4 0 "[ . 1 ]" 1
822 1 7 THR HB 1 9 THR H 3.700 . 3.700 2.296 2.187 2.390 . 0 0 "[ . 1 ]" 1
823 1 15 ILE H 1 16 ASP H 5.500 . 5.500 4.450 4.412 4.480 . 0 0 "[ . 1 ]" 1
824 1 5 VAL H 1 13 ILE HA 5.600 . 5.600 4.782 4.550 5.010 . 0 0 "[ . 1 ]" 1
825 1 5 VAL H 1 15 ILE H 5.600 . 5.600 4.490 4.287 4.674 . 0 0 "[ . 1 ]" 1
826 1 4 LYS H 1 5 VAL H 4.600 . 4.600 4.396 4.349 4.457 . 0 0 "[ . 1 ]" 1
827 1 5 VAL H 1 13 ILE MG 5.500 . 5.500 4.095 3.897 4.486 . 0 0 "[ . 1 ]" 1
828 1 5 VAL H 1 13 ILE HG13 5.600 . 5.600 5.143 4.803 5.472 . 0 0 "[ . 1 ]" 1
829 1 5 VAL H 1 67 LEU QB 5.300 . 5.300 4.764 4.252 5.092 . 0 0 "[ . 1 ]" 1
830 1 5 VAL H 1 13 ILE MD 5.600 . 5.600 4.596 4.348 4.832 . 0 0 "[ . 1 ]" 1
831 1 5 VAL H 1 15 ILE MG 5.600 . 5.600 5.643 5.629 5.673 0.073 2 0 "[ . 1 ]" 1
832 1 72 ALA H 1 73 LEU H 4.800 . 4.800 4.350 3.713 4.575 . 0 0 "[ . 1 ]" 1
833 1 11 LYS H 1 12 GLU H 4.700 . 4.700 4.269 4.224 4.309 . 0 0 "[ . 1 ]" 1
834 1 6 LYS HA 1 11 LYS H 5.500 . 5.500 4.452 4.040 4.657 . 0 0 "[ . 1 ]" 1
835 1 6 LYS H 1 7 THR H 5.300 . 5.300 4.404 4.346 4.527 . 0 0 "[ . 1 ]" 1
836 1 2 LEU H 1 16 ASP HA 5.000 . 5.000 5.008 4.979 5.031 0.031 8 0 "[ . 1 ]" 1
837 1 70 VAL H 1 70 VAL MG1 4.700 . 4.700 3.506 2.815 4.006 . 0 0 "[ . 1 ]" 1
838 1 13 ILE HG13 1 14 GLU H 5.500 . 5.500 4.809 4.761 4.855 . 0 0 "[ . 1 ]" 1
839 1 13 ILE HG12 1 14 GLU H 4.800 . 4.800 4.484 4.414 4.586 . 0 0 "[ . 1 ]" 1
840 1 70 VAL H 1 71 LEU H 4.800 . 4.800 4.180 3.660 4.529 . 0 0 "[ . 1 ]" 1
841 1 62 LEU H 1 63 GLY H 4.900 . 4.900 4.465 4.455 4.486 . 0 0 "[ . 1 ]" 1
842 1 62 LEU H 1 65 SER H 4.800 . 4.800 3.993 3.759 4.196 . 0 0 "[ . 1 ]" 1
843 1 61 ILE H 1 62 LEU H 5.100 . 5.100 4.544 4.469 4.643 . 0 0 "[ . 1 ]" 1
844 1 62 LEU H 1 65 SER HA 5.400 . 5.400 5.011 4.596 5.163 . 0 0 "[ . 1 ]" 1
845 1 61 ILE MD 1 62 LEU H 5.600 . 5.600 5.166 4.121 5.406 . 0 0 "[ . 1 ]" 1
846 1 4 LYS HA 1 14 GLU H 5.500 . 5.500 5.157 4.937 5.401 . 0 0 "[ . 1 ]" 1
847 1 23 VAL H 1 26 ILE MD 5.100 . 5.100 3.788 3.640 4.119 . 0 0 "[ . 1 ]" 1
848 1 23 VAL MG1 1 50 MET H 5.300 . 5.300 4.660 4.539 4.956 . 0 0 "[ . 1 ]" 1
849 1 40 GLN HB2 1 72 ALA H 4.800 . 4.800 4.623 4.441 4.933 0.133 11 0 "[ . 1 ]" 1
850 1 23 VAL H 1 55 THR HB 4.800 . 4.800 4.869 4.858 4.879 0.079 11 0 "[ . 1 ]" 1
851 1 23 VAL H 1 54 LYS HA 5.600 . 5.600 5.466 5.361 5.557 . 0 0 "[ . 1 ]" 1
852 1 23 VAL H 1 26 ILE HB 5.600 . 5.600 5.630 5.619 5.641 0.041 6 0 "[ . 1 ]" 1
853 1 2 LEU HA 1 16 ASP H 5.200 . 5.200 5.017 4.887 5.215 0.015 5 0 "[ . 1 ]" 1
854 1 16 ASP H 1 17 ILE H 5.200 . 5.200 4.177 4.126 4.246 . 0 0 "[ . 1 ]" 1
855 1 15 ILE HG12 1 16 ASP H 5.200 . 5.200 5.040 4.995 5.095 . 0 0 "[ . 1 ]" 1
856 1 15 ILE HG13 1 16 ASP H 5.200 . 5.200 4.551 4.484 4.747 . 0 0 "[ . 1 ]" 1
857 1 12 GLU QG 1 13 ILE H 4.900 . 4.900 4.165 4.012 4.457 . 0 0 "[ . 1 ]" 1
858 1 13 ILE H 1 14 GLU H 4.800 . 4.800 4.588 4.568 4.611 . 0 0 "[ . 1 ]" 1
859 1 7 THR MG 1 13 ILE H 5.600 . 5.600 5.577 5.379 5.643 0.043 1 0 "[ . 1 ]" 1
860 1 7 THR H 1 13 ILE H 5.500 . 5.500 4.358 4.174 4.794 . 0 0 "[ . 1 ]" 1
861 1 44 ILE H 1 45 TYR H 5.100 . 5.100 4.436 4.343 4.501 . 0 0 "[ . 1 ]" 1
862 1 44 ILE MG 1 49 GLN H 5.600 . 5.600 3.782 3.318 4.240 . 0 0 "[ . 1 ]" 1
863 1 44 ILE MD 1 49 GLN H 5.600 . 5.600 3.581 1.804 5.400 . 0 0 "[ . 1 ]" 1
864 1 48 LYS QG 1 49 GLN H 5.100 . 5.100 3.848 3.689 4.126 . 0 0 "[ . 1 ]" 1
865 1 52 ASP H 1 54 LYS H 5.000 . 5.000 4.192 4.129 4.271 . 0 0 "[ . 1 ]" 1
866 1 43 LEU H 1 44 ILE H 4.900 . 4.900 4.355 4.250 4.464 . 0 0 "[ . 1 ]" 1
867 1 71 LEU H 1 72 ALA H 4.900 . 4.900 4.477 4.371 4.569 . 0 0 "[ . 1 ]" 1
868 1 31 GLU H 1 33 LYS H 5.200 . 5.200 4.076 3.954 4.154 . 0 0 "[ . 1 ]" 1
869 1 31 GLU H 1 38 PRO HD3 5.200 . 5.200 5.149 4.984 5.219 0.019 7 0 "[ . 1 ]" 1
870 1 42 ARG H 1 69 LEU MD1 4.700 . 4.700 3.547 2.942 4.568 . 0 0 "[ . 1 ]" 1
871 1 42 ARG H 1 70 VAL HB 5.500 . 5.500 4.830 3.971 5.401 . 0 0 "[ . 1 ]" 1
872 1 50 MET QG 1 51 ASN H 4.900 . 4.900 4.158 3.905 4.654 . 0 0 "[ . 1 ]" 1
873 1 51 ASN H 1 54 LYS HB2 4.700 . 4.700 2.676 2.134 2.980 . 0 0 "[ . 1 ]" 1
874 1 41 GLN HG3 1 42 ARG H 5.100 . 5.100 5.110 4.982 5.199 0.099 4 0 "[ . 1 ]" 1
875 1 42 ARG H 1 69 LEU HA 5.300 . 5.300 4.291 4.046 4.589 . 0 0 "[ . 1 ]" 1
876 1 21 ASP H 1 56 ALA H 5.000 . 5.000 4.585 4.438 4.713 . 0 0 "[ . 1 ]" 1
877 1 21 ASP H 1 55 THR MG 5.600 . 5.600 4.681 4.378 5.013 . 0 0 "[ . 1 ]" 1
878 1 23 VAL H 1 56 ALA H 4.600 . 4.600 4.275 4.114 4.506 . 0 0 "[ . 1 ]" 1
879 1 28 GLU H 1 30 VAL H 4.800 . 4.800 4.077 3.959 4.197 . 0 0 "[ . 1 ]" 1
880 1 7 THR HA 1 8 LEU H 2.800 . 2.800 2.393 2.353 2.442 . 0 0 "[ . 1 ]" 1
881 1 24 GLU HA 1 28 GLU H 4.700 . 4.700 4.316 4.127 4.404 . 0 0 "[ . 1 ]" 1
882 1 46 SER HA 1 48 LYS H 5.400 . 5.400 4.753 4.345 4.921 . 0 0 "[ . 1 ]" 1
883 1 56 ALA HA 1 58 ASP H 4.500 . 4.500 4.084 4.029 4.139 . 0 0 "[ . 1 ]" 1
884 1 28 GLU H 1 31 GLU H 5.600 . 5.600 4.725 4.569 4.830 . 0 0 "[ . 1 ]" 1
885 1 68 HIS H 1 69 LEU H 4.900 . 4.900 4.482 4.238 4.542 . 0 0 "[ . 1 ]" 1
886 1 57 ALA H 1 59 TYR H 4.900 . 4.900 4.183 4.109 4.248 . 0 0 "[ . 1 ]" 1
887 1 45 TYR HA 1 68 HIS H 5.500 . 5.500 3.485 2.920 3.948 . 0 0 "[ . 1 ]" 1
888 1 43 LEU HA 1 68 HIS H 5.600 . 5.600 4.905 4.596 5.353 . 0 0 "[ . 1 ]" 1
889 1 5 VAL HA 1 68 HIS H 5.500 . 5.500 4.894 4.531 5.209 . 0 0 "[ . 1 ]" 1
890 1 43 LEU MD1 1 68 HIS H 5.100 . 5.100 4.214 3.759 4.868 . 0 0 "[ . 1 ]" 1
891 1 22 LYS H 1 55 THR HA 5.300 . 5.300 5.089 4.944 5.316 0.016 9 0 "[ . 1 ]" 1
892 1 22 LYS H 1 23 VAL H 5.300 . 5.300 4.603 4.589 4.620 . 0 0 "[ . 1 ]" 1
893 1 23 VAL H 1 25 ARG H 5.100 . 5.100 4.280 4.187 4.374 . 0 0 "[ . 1 ]" 1
894 1 25 ARG H 1 27 LYS H 5.200 . 5.200 3.868 3.776 3.981 . 0 0 "[ . 1 ]" 1
895 1 30 VAL HA 1 32 GLU H 5.200 . 5.200 4.444 4.301 4.579 . 0 0 "[ . 1 ]" 1
896 1 30 VAL MG1 1 32 GLU H 5.600 . 5.600 5.178 5.040 5.308 . 0 0 "[ . 1 ]" 1
897 1 30 VAL MG2 1 32 GLU H 5.600 . 5.600 5.415 5.251 5.554 . 0 0 "[ . 1 ]" 1
898 1 32 GLU H 1 33 LYS QG 5.600 . 5.600 5.514 5.244 5.637 0.037 6 0 "[ . 1 ]" 1
899 1 25 ARG H 1 26 ILE MD 5.600 . 5.600 4.518 4.330 4.802 . 0 0 "[ . 1 ]" 1
900 1 22 LYS QG 1 25 ARG H 5.600 . 5.600 4.886 4.792 4.954 . 0 0 "[ . 1 ]" 1
901 1 25 ARG H 1 25 ARG HD2 5.200 . 5.200 4.727 4.115 5.231 0.031 4 0 "[ . 1 ]" 1
902 1 32 GLU H 1 34 GLU H 5.300 . 5.300 4.567 4.487 4.673 . 0 0 "[ . 1 ]" 1
903 1 28 GLU HA 1 32 GLU H 5.600 . 5.600 4.336 4.256 4.418 . 0 0 "[ . 1 ]" 1
904 1 4 LYS H 1 65 SER QB 5.200 . 5.200 4.851 4.656 4.998 . 0 0 "[ . 1 ]" 1
905 1 60 LYS HB3 1 61 ILE H 5.000 . 5.000 4.707 4.700 4.728 . 0 0 "[ . 1 ]" 1
906 1 60 LYS HB2 1 61 ILE H 5.000 . 5.000 4.458 4.449 4.465 . 0 0 "[ . 1 ]" 1
907 1 60 LYS QD 1 61 ILE H 5.100 . 5.100 3.950 3.825 4.023 . 0 0 "[ . 1 ]" 1
908 1 57 ALA H 1 61 ILE H 5.200 . 5.200 5.187 5.120 5.229 0.029 10 0 "[ . 1 ]" 1
909 1 41 GLN H 1 42 ARG H 5.200 . 5.200 4.449 4.263 4.523 . 0 0 "[ . 1 ]" 1
910 1 41 GLN H 1 72 ALA H 5.600 . 5.600 5.152 4.981 5.488 . 0 0 "[ . 1 ]" 1
911 1 39 GLN H 1 41 GLN H 5.500 . 5.500 4.074 3.923 4.316 . 0 0 "[ . 1 ]" 1
912 1 41 GLN H 1 72 ALA MB 5.000 . 5.000 4.878 4.638 5.190 0.190 11 0 "[ . 1 ]" 1
913 1 27 LYS HB3 1 41 GLN H 5.600 . 5.600 5.282 5.100 5.614 0.014 11 0 "[ . 1 ]" 1
914 1 24 GLU H 1 26 ILE H 5.300 . 5.300 4.264 4.167 4.323 . 0 0 "[ . 1 ]" 1
915 1 65 SER H 1 67 LEU HG 5.600 . 5.600 5.645 5.616 5.666 0.066 4 0 "[ . 1 ]" 1
916 1 22 LYS HA 1 24 GLU H 5.600 . 5.600 4.281 4.206 4.403 . 0 0 "[ . 1 ]" 1
917 1 61 ILE HA 1 65 SER H 5.600 . 5.600 5.599 5.519 5.641 0.041 7 0 "[ . 1 ]" 1
918 1 7 THR H 1 10 GLY H 4.400 . 4.400 4.014 3.811 4.130 . 0 0 "[ . 1 ]" 1
919 1 27 LYS H 1 29 ARG H 5.400 . 5.400 4.068 4.011 4.150 . 0 0 "[ . 1 ]" 1
920 1 23 VAL HA 1 27 LYS H 5.000 . 5.000 4.378 4.214 4.470 . 0 0 "[ . 1 ]" 1
921 1 27 LYS H 1 28 GLU HA 5.600 . 5.600 5.232 5.171 5.288 . 0 0 "[ . 1 ]" 1
922 1 38 PRO HA 1 40 GLN H 5.000 . 5.000 3.955 3.823 4.064 . 0 0 "[ . 1 ]" 1
923 1 37 PRO HD2 1 40 GLN H 5.500 . 5.500 5.378 5.228 5.511 0.011 6 0 "[ . 1 ]" 1
924 1 55 THR H 1 59 TYR H 5.500 . 5.500 5.431 5.269 5.503 0.003 4 0 "[ . 1 ]" 1
925 1 50 MET ME 1 59 TYR H 5.600 . 5.600 3.764 3.512 3.965 . 0 0 "[ . 1 ]" 1
926 1 33 LYS QG 1 34 GLU H 4.400 . 4.400 4.386 4.334 4.411 0.011 11 0 "[ . 1 ]" 1
927 1 34 GLU H 1 35 GLY HA3 5.300 . 5.300 4.934 4.832 5.013 . 0 0 "[ . 1 ]" 1
928 1 60 LYS H 1 60 LYS QE 5.600 . 5.600 5.267 5.117 5.622 0.022 1 0 "[ . 1 ]" 1
929 1 13 ILE MG 1 34 GLU H 5.600 . 5.600 5.192 4.960 5.388 . 0 0 "[ . 1 ]" 1
930 1 32 GLU HG3 1 33 LYS H 4.900 . 4.900 4.072 2.765 4.571 . 0 0 "[ . 1 ]" 1
931 1 33 LYS H 1 34 GLU HA 5.500 . 5.500 5.234 5.190 5.309 . 0 0 "[ . 1 ]" 1
932 1 31 GLU HA 1 33 LYS H 5.200 . 5.200 4.200 4.142 4.268 . 0 0 "[ . 1 ]" 1
933 1 29 ARG HA 1 33 LYS H 5.600 . 5.600 4.666 4.529 4.800 . 0 0 "[ . 1 ]" 1
934 1 38 PRO HD3 1 39 GLN H 5.000 . 5.000 3.962 3.849 4.069 . 0 0 "[ . 1 ]" 1
935 1 38 PRO HG2 1 39 GLN H 5.000 . 5.000 3.523 2.365 4.211 . 0 0 "[ . 1 ]" 1
936 1 53 GLU H 1 54 LYS HA 5.300 . 5.300 4.917 4.836 4.987 . 0 0 "[ . 1 ]" 1
937 1 22 LYS QD 1 53 GLU H 5.600 . 5.600 5.157 5.016 5.434 . 0 0 "[ . 1 ]" 1
938 1 53 GLU H 1 54 LYS HG3 5.300 . 5.300 4.361 3.894 5.202 . 0 0 "[ . 1 ]" 1
939 1 53 GLU H 1 54 LYS HG2 5.300 . 5.300 4.832 3.816 5.321 0.021 5 0 "[ . 1 ]" 1
940 1 4 LYS H 1 64 GLY H 5.500 . 5.500 4.694 4.285 5.080 . 0 0 "[ . 1 ]" 1
941 1 1 MET QG 1 64 GLY H 5.600 . 5.600 5.584 5.459 5.612 0.012 5 0 "[ . 1 ]" 1
942 1 3 ILE HB 1 64 GLY H 5.100 . 5.100 4.603 4.395 5.044 . 0 0 "[ . 1 ]" 1
943 1 62 LEU QB 1 64 GLY H 5.400 . 5.400 5.074 4.688 5.323 . 0 0 "[ . 1 ]" 1
944 1 61 ILE MG 1 64 GLY H 5.200 . 5.200 4.850 4.433 4.997 . 0 0 "[ . 1 ]" 1
945 1 37 PRO QG 1 40 GLN HE21 4.900 . 4.900 3.516 1.677 4.774 . 0 0 "[ . 1 ]" 1
946 1 37 PRO QG 1 40 GLN HE22 4.900 . 4.900 3.941 2.881 4.991 0.091 6 0 "[ . 1 ]" 1
947 1 9 THR MG 1 10 GLY H 4.800 . 4.800 4.283 4.242 4.312 . 0 0 "[ . 1 ]" 1
948 1 9 THR H 1 10 GLY H 5.300 . 5.300 2.349 2.305 2.429 . 0 0 "[ . 1 ]" 1
949 1 9 THR HB 1 10 GLY H 4.500 . 4.500 3.381 3.343 3.460 . 0 0 "[ . 1 ]" 1
950 1 32 GLU H 1 35 GLY H 5.400 . 5.400 4.670 4.605 4.718 . 0 0 "[ . 1 ]" 1
951 1 33 LYS HA 1 35 GLY H 5.600 . 5.600 4.968 4.722 5.128 . 0 0 "[ . 1 ]" 1
952 1 55 THR H 1 58 ASP HA 5.200 . 5.200 5.174 5.035 5.229 0.029 9 0 "[ . 1 ]" 1
953 1 55 THR H 1 56 ALA H 5.400 . 5.400 4.470 4.439 4.482 . 0 0 "[ . 1 ]" 1
954 1 50 MET ME 1 55 THR H 5.200 . 5.200 4.789 4.576 4.946 . 0 0 "[ . 1 ]" 1
955 1 55 THR H 1 56 ALA MB 5.600 . 5.600 5.664 5.622 5.687 0.087 4 0 "[ . 1 ]" 1
956 1 55 THR H 1 57 ALA MB 5.600 . 5.600 5.117 5.005 5.270 . 0 0 "[ . 1 ]" 1
957 1 3 ILE MG 1 63 GLY H 5.500 . 5.500 4.198 3.829 4.798 . 0 0 "[ . 1 ]" 1
958 1 27 LYS HB3 1 41 GLN HE21 5.300 . 5.300 4.384 4.208 4.646 . 0 0 "[ . 1 ]" 1
959 1 36 ILE MG 1 41 GLN HE21 5.100 . 5.100 3.668 3.187 4.267 . 0 0 "[ . 1 ]" 1
960 1 31 GLU HB2 1 41 GLN HE22 4.400 . 4.400 3.639 3.221 4.402 0.002 11 0 "[ . 1 ]" 1
961 1 27 LYS HB3 1 41 GLN HE22 5.400 . 5.400 4.737 3.083 5.225 . 0 0 "[ . 1 ]" 1
962 1 36 ILE HB 1 41 GLN HE22 5.600 . 5.600 3.517 2.810 5.611 0.011 11 0 "[ . 1 ]" 1
963 1 30 VAL MG2 1 41 GLN HE22 5.200 . 5.200 3.962 2.621 4.403 . 0 0 "[ . 1 ]" 1
964 1 36 ILE MG 1 41 GLN HE22 5.600 . 5.600 4.450 3.818 5.616 0.016 11 0 "[ . 1 ]" 1
965 1 27 LYS HA 1 41 GLN HE22 4.700 . 4.700 4.488 2.503 4.719 0.019 9 0 "[ . 1 ]" 1
966 1 45 TYR HA 1 47 GLY H 4.100 . 4.100 3.908 3.411 4.128 0.028 9 0 "[ . 1 ]" 1
967 1 1 MET QB 1 2 LEU H 3.900 . 3.900 2.825 2.585 3.144 . 0 0 "[ . 1 ]" 1
968 1 1 MET QB 1 63 GLY H 4.600 . 4.600 2.954 2.361 3.793 . 0 0 "[ . 1 ]" 1
969 1 1 MET QB 1 63 GLY QA 4.200 . 4.200 2.281 2.130 2.714 . 0 0 "[ . 1 ]" 1
970 1 1 MET QG 1 2 LEU QD 5.500 . 5.500 4.796 4.284 5.357 . 0 0 "[ . 1 ]" 1
971 1 1 MET QG 1 63 GLY QA 4.300 . 4.300 2.703 2.454 3.447 . 0 0 "[ . 1 ]" 1
972 1 2 LEU H 1 2 LEU QB 3.200 . 3.200 2.657 2.308 3.136 . 0 0 "[ . 1 ]" 1
973 1 2 LEU H 1 2 LEU QD 4.300 . 4.300 2.640 2.099 3.406 . 0 0 "[ . 1 ]" 1
974 1 2 LEU HA 1 2 LEU QD 4.000 . 4.000 2.996 2.084 3.453 . 0 0 "[ . 1 ]" 1
975 1 2 LEU HA 1 3 ILE QG 5.000 . 5.000 3.505 3.265 3.666 . 0 0 "[ . 1 ]" 1
976 1 2 LEU QB 1 3 ILE H 3.500 . 3.500 2.885 2.685 3.146 . 0 0 "[ . 1 ]" 1
977 1 2 LEU QB 1 14 GLU QG 5.400 . 5.400 4.976 4.393 5.392 . 0 0 "[ . 1 ]" 1
978 1 2 LEU QD 1 3 ILE H 4.600 . 4.600 3.830 3.149 4.212 . 0 0 "[ . 1 ]" 1
979 1 2 LEU QD 1 14 GLU QG 5.500 . 5.500 4.463 4.012 4.899 . 0 0 "[ . 1 ]" 1
980 1 2 LEU QD 1 15 ILE H 5.400 . 5.400 4.827 4.074 5.392 . 0 0 "[ . 1 ]" 1
981 1 2 LEU QD 1 63 GLY QA 5.300 . 5.300 4.053 3.467 4.955 . 0 0 "[ . 1 ]" 1
982 1 3 ILE H 1 3 ILE QG 3.200 . 3.200 2.227 2.120 2.308 . 0 0 "[ . 1 ]" 1
983 1 3 ILE MG 1 63 GLY QA 4.100 . 4.100 2.408 2.239 3.085 . 0 0 "[ . 1 ]" 1
984 1 3 ILE QG 1 4 LYS H 4.700 . 4.700 4.251 4.143 4.510 . 0 0 "[ . 1 ]" 1
985 1 4 LYS H 1 4 LYS QB 3.300 . 3.300 2.485 2.424 2.522 . 0 0 "[ . 1 ]" 1
986 1 4 LYS H 1 4 LYS QG 4.200 . 4.200 3.208 2.914 3.662 . 0 0 "[ . 1 ]" 1
987 1 4 LYS H 1 66 VAL QG 5.000 . 5.000 3.863 3.432 4.250 . 0 0 "[ . 1 ]" 1
988 1 4 LYS HA 1 4 LYS QG 3.800 . 3.800 2.389 2.324 2.455 . 0 0 "[ . 1 ]" 1
989 1 4 LYS QB 1 5 VAL H 3.600 . 3.600 3.168 3.039 3.273 . 0 0 "[ . 1 ]" 1
990 1 4 LYS QB 1 5 VAL QG 5.100 . 5.100 4.398 4.321 4.548 . 0 0 "[ . 1 ]" 1
991 1 4 LYS QB 1 14 GLU QG 5.400 . 5.400 4.078 3.933 4.294 . 0 0 "[ . 1 ]" 1
992 1 4 LYS QB 1 66 VAL HA 3.800 . 3.800 3.129 3.039 3.232 . 0 0 "[ . 1 ]" 1
993 1 4 LYS QB 1 66 VAL QG 3.300 . 3.300 2.722 2.341 3.060 . 0 0 "[ . 1 ]" 1
994 1 4 LYS QB 1 67 LEU H 5.000 . 5.000 4.061 3.878 4.211 . 0 0 "[ . 1 ]" 1
995 1 4 LYS QG 1 5 VAL H 4.500 . 4.500 4.020 3.945 4.090 . 0 0 "[ . 1 ]" 1
996 1 4 LYS QG 1 14 GLU HA 4.700 . 4.700 3.009 2.646 3.422 . 0 0 "[ . 1 ]" 1
997 1 5 VAL H 1 12 GLU QB 5.400 . 5.400 4.216 4.036 4.706 . 0 0 "[ . 1 ]" 1
998 1 5 VAL H 1 15 ILE QG 5.100 . 5.100 3.673 3.340 3.823 . 0 0 "[ . 1 ]" 1
999 1 5 VAL QG 1 6 LYS QB 4.400 . 4.400 3.826 3.685 3.972 . 0 0 "[ . 1 ]" 1
1000 1 5 VAL QG 1 69 LEU QB 3.500 . 3.500 1.961 1.915 2.024 . 0 0 "[ . 1 ]" 1
1001 1 6 LYS H 1 6 LYS QB 3.300 . 3.300 2.373 2.317 2.422 . 0 0 "[ . 1 ]" 1
1002 1 6 LYS H 1 6 LYS QG 4.600 . 4.600 3.373 2.863 4.059 . 0 0 "[ . 1 ]" 1
1003 1 6 LYS H 1 69 LEU QB 5.000 . 5.000 3.787 3.471 3.966 . 0 0 "[ . 1 ]" 1
1004 1 6 LYS QB 1 7 THR H 4.100 . 4.100 3.349 3.051 3.724 . 0 0 "[ . 1 ]" 1
1005 1 6 LYS QB 1 66 VAL QG 4.600 . 4.600 3.516 2.741 3.997 . 0 0 "[ . 1 ]" 1
1006 1 6 LYS QB 1 69 LEU H 4.000 . 4.000 3.413 2.903 3.833 . 0 0 "[ . 1 ]" 1
1007 1 6 LYS QG 1 7 THR H 4.300 . 4.300 3.556 2.660 3.883 . 0 0 "[ . 1 ]" 1
1008 1 6 LYS QG 1 11 LYS H 5.400 . 5.400 4.771 3.608 5.317 . 0 0 "[ . 1 ]" 1
1009 1 6 LYS QG 1 12 GLU QG 5.400 . 5.400 2.862 2.032 4.731 . 0 0 "[ . 1 ]" 1
1010 1 6 LYS QD 1 66 VAL QG 4.000 . 4.000 2.928 2.167 3.899 . 0 0 "[ . 1 ]" 1
1011 1 7 THR H 1 69 LEU QB 5.400 . 5.400 4.891 4.634 5.092 . 0 0 "[ . 1 ]" 1
1012 1 7 THR HA 1 8 LEU QB 5.400 . 5.400 4.328 4.094 4.716 . 0 0 "[ . 1 ]" 1
1013 1 7 THR HA 1 69 LEU QB 3.700 . 3.700 3.002 2.710 3.257 . 0 0 "[ . 1 ]" 1
1014 1 7 THR HB 1 8 LEU QB 5.400 . 5.400 4.645 4.263 5.184 . 0 0 "[ . 1 ]" 1
1015 1 7 THR HB 1 11 LYS QB 4.600 . 4.600 3.402 3.271 3.603 . 0 0 "[ . 1 ]" 1
1016 1 7 THR MG 1 69 LEU QD 3.900 . 3.900 2.819 2.546 3.077 . 0 0 "[ . 1 ]" 1
1017 1 8 LEU H 1 8 LEU QB 3.200 . 3.200 2.296 2.144 2.891 . 0 0 "[ . 1 ]" 1
1018 1 8 LEU HA 1 8 LEU QD 3.700 . 3.700 2.655 2.338 3.085 . 0 0 "[ . 1 ]" 1
1019 1 11 LYS H 1 11 LYS QG 4.600 . 4.600 3.965 3.803 4.162 . 0 0 "[ . 1 ]" 1
1020 1 11 LYS HA 1 11 LYS QG 3.800 . 3.800 2.198 2.160 2.283 . 0 0 "[ . 1 ]" 1
1021 1 11 LYS QG 1 12 GLU QG 5.400 . 5.400 5.105 4.491 5.414 0.014 7 0 "[ . 1 ]" 1
1022 1 12 GLU H 1 12 GLU QB 3.200 . 3.200 2.477 2.314 2.896 . 0 0 "[ . 1 ]" 1
1023 1 12 GLU QB 1 13 ILE H 3.800 . 3.800 3.418 3.320 3.483 . 0 0 "[ . 1 ]" 1
1024 1 13 ILE HB 1 33 LYS QE 5.300 . 5.300 5.364 5.338 5.388 0.088 8 0 "[ . 1 ]" 1
1025 1 13 ILE MG 1 33 LYS QB 4.000 . 4.000 3.196 3.024 3.354 . 0 0 "[ . 1 ]" 1
1026 1 13 ILE MD 1 33 LYS QB 5.000 . 5.000 4.197 3.949 4.345 . 0 0 "[ . 1 ]" 1
1027 1 13 ILE MD 1 34 GLU QB 4.100 . 4.100 3.703 3.247 4.116 0.016 3 0 "[ . 1 ]" 1
1028 1 14 GLU H 1 14 GLU QB 3.000 . 3.000 2.352 2.306 2.417 . 0 0 "[ . 1 ]" 1
1029 1 14 GLU HA 1 15 ILE QG 4.600 . 4.600 3.532 3.464 3.565 . 0 0 "[ . 1 ]" 1
1030 1 14 GLU QB 1 15 ILE H 3.400 . 3.400 3.375 3.231 3.431 0.031 4 0 "[ . 1 ]" 1
1031 1 15 ILE H 1 15 ILE QG 3.400 . 3.400 2.151 2.039 2.312 . 0 0 "[ . 1 ]" 1
1032 1 15 ILE MG 1 16 ASP QB 5.400 . 5.400 4.957 4.649 5.173 . 0 0 "[ . 1 ]" 1
1033 1 15 ILE MG 1 29 ARG QB 4.700 . 4.700 2.847 2.410 3.349 . 0 0 "[ . 1 ]" 1
1034 1 15 ILE MG 1 29 ARG QG 4.400 . 4.400 3.373 2.510 4.120 . 0 0 "[ . 1 ]" 1
1035 1 15 ILE MG 1 29 ARG QD 4.600 . 4.600 3.848 2.815 4.436 . 0 0 "[ . 1 ]" 1
1036 1 15 ILE QG 1 16 ASP H 4.500 . 4.500 4.234 4.184 4.365 . 0 0 "[ . 1 ]" 1
1037 1 15 ILE MD 1 29 ARG QB 4.500 . 4.500 3.656 3.205 4.329 . 0 0 "[ . 1 ]" 1
1038 1 15 ILE MD 1 29 ARG QG 4.800 . 4.800 4.363 4.139 4.623 . 0 0 "[ . 1 ]" 1
1039 1 16 ASP H 1 16 ASP QB 3.100 . 3.100 2.926 2.556 3.134 0.034 7 0 "[ . 1 ]" 1
1040 1 16 ASP H 1 29 ARG QD 5.400 . 5.400 4.906 4.046 5.410 0.010 4 0 "[ . 1 ]" 1
1041 1 16 ASP QB 1 17 ILE H 4.000 . 4.000 3.363 3.240 3.428 . 0 0 "[ . 1 ]" 1
1042 1 16 ASP QB 1 17 ILE MG 5.400 . 5.400 4.502 4.255 4.649 . 0 0 "[ . 1 ]" 1
1043 1 17 ILE HB 1 21 ASP QB 3.900 . 3.900 3.232 3.029 3.926 0.026 11 0 "[ . 1 ]" 1
1044 1 17 ILE MG 1 29 ARG QB 4.900 . 4.900 3.480 3.317 3.634 . 0 0 "[ . 1 ]" 1
1045 1 17 ILE MG 1 29 ARG QG 4.500 . 4.500 2.895 2.368 3.466 . 0 0 "[ . 1 ]" 1
1046 1 17 ILE MG 1 29 ARG QD 4.700 . 4.700 3.467 2.569 4.323 . 0 0 "[ . 1 ]" 1
1047 1 17 ILE QG 1 18 GLU H 4.400 . 4.400 4.257 4.223 4.301 . 0 0 "[ . 1 ]" 1
1048 1 17 ILE MD 1 26 ILE QG 3.800 . 3.800 2.541 2.288 2.630 . 0 0 "[ . 1 ]" 1
1049 1 18 GLU H 1 18 GLU QG 3.700 . 3.700 2.828 2.789 2.868 . 0 0 "[ . 1 ]" 1
1050 1 18 GLU H 1 21 ASP QB 3.800 . 3.800 3.354 3.151 3.752 . 0 0 "[ . 1 ]" 1
1051 1 18 GLU HA 1 18 GLU QG 3.800 . 3.800 2.381 2.341 2.676 . 0 0 "[ . 1 ]" 1
1052 1 18 GLU QG 1 19 PRO HD2 4.800 . 4.800 3.647 3.043 4.347 . 0 0 "[ . 1 ]" 1
1053 1 18 GLU QG 1 19 PRO HD3 4.800 . 4.800 3.452 3.238 4.073 . 0 0 "[ . 1 ]" 1
1054 1 19 PRO QB 1 20 THR H 4.100 . 4.100 3.261 3.093 3.453 . 0 0 "[ . 1 ]" 1
1055 1 19 PRO QB 1 20 THR HA 5.400 . 5.400 3.987 3.926 4.104 . 0 0 "[ . 1 ]" 1
1056 1 19 PRO QB 1 56 ALA MB 4.200 . 4.200 3.459 3.263 3.567 . 0 0 "[ . 1 ]" 1
1057 1 19 PRO QB 1 57 ALA H 4.100 . 4.100 3.708 3.550 3.857 . 0 0 "[ . 1 ]" 1
1058 1 21 ASP H 1 21 ASP QB 3.000 . 3.000 2.340 2.280 2.741 . 0 0 "[ . 1 ]" 1
1059 1 21 ASP QB 1 22 LYS H 3.600 . 3.600 2.613 2.548 2.725 . 0 0 "[ . 1 ]" 1
1060 1 21 ASP QB 1 25 ARG H 5.200 . 5.200 4.801 4.714 4.874 . 0 0 "[ . 1 ]" 1
1061 1 21 ASP QB 1 25 ARG QB 4.000 . 4.000 2.797 2.670 2.940 . 0 0 "[ . 1 ]" 1
1062 1 21 ASP QB 1 25 ARG QD 5.200 . 5.200 4.797 4.470 5.176 . 0 0 "[ . 1 ]" 1
1063 1 22 LYS H 1 25 ARG QB 4.200 . 4.200 3.011 2.843 3.114 . 0 0 "[ . 1 ]" 1
1064 1 22 LYS H 1 25 ARG QG 5.400 . 5.400 3.336 2.610 4.323 . 0 0 "[ . 1 ]" 1
1065 1 22 LYS HA 1 23 VAL QG 5.500 . 5.500 3.478 3.388 3.572 . 0 0 "[ . 1 ]" 1
1066 1 23 VAL H 1 23 VAL QG 3.500 . 3.500 1.819 1.742 1.941 . 0 0 "[ . 1 ]" 1
1067 1 23 VAL H 1 26 ILE QG 5.200 . 5.200 5.091 4.924 5.197 . 0 0 "[ . 1 ]" 1
1068 1 23 VAL HA 1 23 VAL QG 3.200 . 3.200 2.166 2.153 2.186 . 0 0 "[ . 1 ]" 1
1069 1 23 VAL HA 1 26 ILE QG 4.100 . 4.100 3.418 3.217 3.549 . 0 0 "[ . 1 ]" 1
1070 1 23 VAL HA 1 27 LYS QG 5.000 . 5.000 4.030 3.743 4.175 . 0 0 "[ . 1 ]" 1
1071 1 23 VAL QG 1 24 GLU H 3.800 . 3.800 3.311 3.246 3.338 . 0 0 "[ . 1 ]" 1
1072 1 23 VAL QG 1 25 ARG H 5.400 . 5.400 4.574 4.480 4.670 . 0 0 "[ . 1 ]" 1
1073 1 23 VAL QG 1 27 LYS H 5.500 . 5.500 3.998 3.741 4.146 . 0 0 "[ . 1 ]" 1
1074 1 23 VAL QG 1 27 LYS QG 3.400 . 3.400 2.596 2.118 2.794 . 0 0 "[ . 1 ]" 1
1075 1 23 VAL QG 1 50 MET H 4.600 . 4.600 4.340 4.259 4.411 . 0 0 "[ . 1 ]" 1
1076 1 23 VAL QG 1 50 MET QB 3.300 . 3.300 1.931 1.825 2.002 . 0 0 "[ . 1 ]" 1
1077 1 23 VAL QG 1 50 MET QG 4.200 . 4.200 3.124 2.440 3.445 . 0 0 "[ . 1 ]" 1
1078 1 23 VAL QG 1 50 MET ME 5.400 . 5.400 2.290 1.965 2.939 . 0 0 "[ . 1 ]" 1
1079 1 23 VAL QG 1 51 ASN H 4.000 . 4.000 3.051 2.477 3.511 . 0 0 "[ . 1 ]" 1
1080 1 23 VAL QG 1 52 ASP HA 3.500 . 3.500 3.257 3.099 3.404 . 0 0 "[ . 1 ]" 1
1081 1 23 VAL QG 1 52 ASP QB 4.900 . 4.900 4.555 4.195 4.702 . 0 0 "[ . 1 ]" 1
1082 1 24 GLU H 1 24 GLU QB 3.200 . 3.200 2.656 2.621 2.676 . 0 0 "[ . 1 ]" 1
1083 1 24 GLU H 1 27 LYS QG 4.600 . 4.600 4.092 3.790 4.225 . 0 0 "[ . 1 ]" 1
1084 1 24 GLU HA 1 27 LYS QG 4.700 . 4.700 2.402 2.312 2.548 . 0 0 "[ . 1 ]" 1
1085 1 24 GLU QB 1 25 ARG H 3.700 . 3.700 3.532 3.482 3.576 . 0 0 "[ . 1 ]" 1
1086 1 24 GLU QB 1 52 ASP QB 3.800 . 3.800 2.432 2.294 2.750 . 0 0 "[ . 1 ]" 1
1087 1 25 ARG H 1 25 ARG QB 3.100 . 3.100 2.270 2.101 2.346 . 0 0 "[ . 1 ]" 1
1088 1 25 ARG H 1 25 ARG QG 4.400 . 4.400 3.117 2.532 4.077 . 0 0 "[ . 1 ]" 1
1089 1 25 ARG H 1 25 ARG QD 4.500 . 4.500 4.024 3.629 4.191 . 0 0 "[ . 1 ]" 1
1090 1 25 ARG H 1 27 LYS QG 5.400 . 5.400 4.496 4.330 4.593 . 0 0 "[ . 1 ]" 1
1091 1 25 ARG H 1 28 GLU QG 5.400 . 5.400 4.761 4.476 4.995 . 0 0 "[ . 1 ]" 1
1092 1 25 ARG HA 1 25 ARG QD 3.500 . 3.500 2.413 2.361 2.501 . 0 0 "[ . 1 ]" 1
1093 1 25 ARG HA 1 27 LYS QG 5.400 . 5.400 5.473 5.449 5.490 0.090 5 0 "[ . 1 ]" 1
1094 1 25 ARG HA 1 28 GLU QB 3.800 . 3.800 2.892 2.524 3.811 0.011 2 0 "[ . 1 ]" 1
1095 1 25 ARG HA 1 28 GLU QG 4.400 . 4.400 2.836 2.179 3.229 . 0 0 "[ . 1 ]" 1
1096 1 25 ARG QB 1 26 ILE H 3.300 . 3.300 2.628 2.586 2.698 . 0 0 "[ . 1 ]" 1
1097 1 25 ARG QD 1 28 GLU QB 5.200 . 5.200 4.010 3.566 4.811 . 0 0 "[ . 1 ]" 1
1098 1 26 ILE H 1 26 ILE QG 3.000 . 3.000 2.073 2.007 2.112 . 0 0 "[ . 1 ]" 1
1099 1 26 ILE HA 1 26 ILE QG 3.600 . 3.600 2.511 2.480 2.558 . 0 0 "[ . 1 ]" 1
1100 1 26 ILE HA 1 29 ARG QB 4.000 . 4.000 2.819 2.691 2.978 . 0 0 "[ . 1 ]" 1
1101 1 26 ILE HA 1 29 ARG QG 5.000 . 5.000 3.432 2.383 4.491 . 0 0 "[ . 1 ]" 1
1102 1 26 ILE MG 1 27 LYS QG 4.800 . 4.800 4.025 3.910 4.087 . 0 0 "[ . 1 ]" 1
1103 1 26 ILE MG 1 29 ARG QB 4.700 . 4.700 3.437 3.253 3.598 . 0 0 "[ . 1 ]" 1
1104 1 26 ILE MG 1 29 ARG QG 4.700 . 4.700 4.121 3.713 4.603 . 0 0 "[ . 1 ]" 1
1105 1 26 ILE MG 1 30 VAL QG 4.100 . 4.100 2.700 2.563 2.825 . 0 0 "[ . 1 ]" 1
1106 1 26 ILE QG 1 27 LYS H 4.500 . 4.500 4.054 3.991 4.086 . 0 0 "[ . 1 ]" 1
1107 1 26 ILE QG 1 56 ALA MB 4.500 . 4.500 4.039 3.823 4.236 . 0 0 "[ . 1 ]" 1
1108 1 27 LYS H 1 27 LYS QG 3.000 . 3.000 2.164 2.069 2.230 . 0 0 "[ . 1 ]" 1
1109 1 27 LYS H 1 28 GLU QG 5.200 . 5.200 4.339 3.922 4.493 . 0 0 "[ . 1 ]" 1
1110 1 27 LYS H 1 30 VAL QG 5.500 . 5.500 4.098 3.982 4.378 . 0 0 "[ . 1 ]" 1
1111 1 27 LYS HA 1 27 LYS QG 3.800 . 3.800 2.488 2.435 2.554 . 0 0 "[ . 1 ]" 1
1112 1 27 LYS HA 1 30 VAL QG 4.200 . 4.200 2.423 2.191 2.879 . 0 0 "[ . 1 ]" 1
1113 1 27 LYS QG 1 28 GLU H 4.400 . 4.400 3.912 3.833 3.992 . 0 0 "[ . 1 ]" 1
1114 1 28 GLU H 1 28 GLU QB 3.100 . 3.100 2.393 2.337 2.581 . 0 0 "[ . 1 ]" 1
1115 1 28 GLU H 1 28 GLU QG 3.100 . 3.100 2.379 2.124 2.461 . 0 0 "[ . 1 ]" 1
1116 1 28 GLU QB 1 29 ARG H 3.700 . 3.700 2.784 2.573 3.531 . 0 0 "[ . 1 ]" 1
1117 1 28 GLU QB 1 29 ARG HA 5.200 . 5.200 4.061 3.935 4.511 . 0 0 "[ . 1 ]" 1
1118 1 28 GLU QG 1 29 ARG H 4.300 . 4.300 3.853 2.290 4.223 . 0 0 "[ . 1 ]" 1
1119 1 29 ARG H 1 29 ARG QB 3.000 . 3.000 2.309 2.165 2.464 . 0 0 "[ . 1 ]" 1
1120 1 29 ARG H 1 29 ARG QG 4.200 . 4.200 3.126 2.273 4.061 . 0 0 "[ . 1 ]" 1
1121 1 29 ARG H 1 29 ARG QD 5.000 . 5.000 4.053 3.831 4.416 . 0 0 "[ . 1 ]" 1
1122 1 29 ARG H 1 30 VAL QG 4.600 . 4.600 3.831 3.674 4.056 . 0 0 "[ . 1 ]" 1
1123 1 29 ARG HA 1 32 GLU QG 4.700 . 4.700 2.946 2.209 3.803 . 0 0 "[ . 1 ]" 1
1124 1 29 ARG QB 1 29 ARG QD 3.300 . 3.300 2.246 2.185 2.505 . 0 0 "[ . 1 ]" 1
1125 1 29 ARG QB 1 30 VAL H 3.300 . 3.300 2.579 2.471 2.731 . 0 0 "[ . 1 ]" 1
1126 1 29 ARG QB 1 30 VAL HA 5.200 . 5.200 3.947 3.882 4.044 . 0 0 "[ . 1 ]" 1
1127 1 29 ARG QB 1 30 VAL HB 5.000 . 5.000 4.883 4.683 4.996 . 0 0 "[ . 1 ]" 1
1128 1 29 ARG QB 1 30 VAL QG 4.900 . 4.900 3.090 3.028 3.160 . 0 0 "[ . 1 ]" 1
1129 1 30 VAL H 1 30 VAL QG 3.100 . 3.100 1.982 1.826 2.185 . 0 0 "[ . 1 ]" 1
1130 1 30 VAL HA 1 30 VAL QG 3.200 . 3.200 2.161 2.150 2.165 . 0 0 "[ . 1 ]" 1
1131 1 30 VAL HA 1 33 LYS QB 4.200 . 4.200 2.631 2.237 2.876 . 0 0 "[ . 1 ]" 1
1132 1 30 VAL QG 1 31 GLU H 3.600 . 3.600 3.244 3.210 3.288 . 0 0 "[ . 1 ]" 1
1133 1 30 VAL QG 1 31 GLU HA 4.900 . 4.900 3.713 3.590 3.836 . 0 0 "[ . 1 ]" 1
1134 1 30 VAL QG 1 33 LYS H 4.600 . 4.600 4.257 4.148 4.326 . 0 0 "[ . 1 ]" 1
1135 1 30 VAL QG 1 33 LYS QB 4.000 . 4.000 3.476 3.116 3.663 . 0 0 "[ . 1 ]" 1
1136 1 30 VAL QG 1 34 GLU H 4.100 . 4.100 3.728 3.631 3.836 . 0 0 "[ . 1 ]" 1
1137 1 30 VAL QG 1 34 GLU QB 4.400 . 4.400 3.143 2.880 3.345 . 0 0 "[ . 1 ]" 1
1138 1 30 VAL QG 1 35 GLY H 5.100 . 5.100 4.684 4.459 4.901 . 0 0 "[ . 1 ]" 1
1139 1 30 VAL QG 1 36 ILE HB 5.100 . 5.100 4.191 3.710 4.517 . 0 0 "[ . 1 ]" 1
1140 1 30 VAL QG 1 41 GLN HE22 4.200 . 4.200 2.327 1.929 2.612 . 0 0 "[ . 1 ]" 1
1141 1 31 GLU H 1 32 GLU QG 5.400 . 5.400 4.331 3.941 4.668 . 0 0 "[ . 1 ]" 1
1142 1 31 GLU H 1 33 LYS QB 5.400 . 5.400 4.918 4.590 5.118 . 0 0 "[ . 1 ]" 1
1143 1 31 GLU HG2 1 35 GLY QA 4.800 . 4.800 3.546 3.254 3.787 . 0 0 "[ . 1 ]" 1
1144 1 32 GLU H 1 32 GLU QB 3.500 . 3.500 2.490 2.372 2.742 . 0 0 "[ . 1 ]" 1
1145 1 32 GLU H 1 32 GLU QG 3.300 . 3.300 2.244 1.873 2.468 . 0 0 "[ . 1 ]" 1
1146 1 32 GLU H 1 33 LYS QB 5.200 . 5.200 4.322 4.115 4.433 . 0 0 "[ . 1 ]" 1
1147 1 32 GLU HA 1 32 GLU QG 3.700 . 3.700 2.596 2.287 3.362 . 0 0 "[ . 1 ]" 1
1148 1 33 LYS H 1 33 LYS QB 3.100 . 3.100 2.106 2.059 2.137 . 0 0 "[ . 1 ]" 1
1149 1 33 LYS QB 1 33 LYS QD 3.400 . 3.400 2.089 2.057 2.105 . 0 0 "[ . 1 ]" 1
1150 1 33 LYS QB 1 35 GLY H 5.400 . 5.400 4.484 4.350 4.590 . 0 0 "[ . 1 ]" 1
1151 1 34 GLU H 1 34 GLU QB 3.200 . 3.200 2.274 2.166 2.465 . 0 0 "[ . 1 ]" 1
1152 1 34 GLU H 1 34 GLU QG 4.100 . 4.100 3.791 3.417 4.120 0.020 2 0 "[ . 1 ]" 1
1153 1 34 GLU H 1 35 GLY QA 4.500 . 4.500 4.201 4.097 4.282 . 0 0 "[ . 1 ]" 1
1154 1 34 GLU HA 1 34 GLU QG 3.600 . 3.600 2.200 2.121 2.225 . 0 0 "[ . 1 ]" 1
1155 1 34 GLU QB 1 36 ILE QG 4.500 . 4.500 2.699 2.296 2.991 . 0 0 "[ . 1 ]" 1
1156 1 34 GLU QB 1 36 ILE MD 4.200 . 4.200 2.380 2.193 2.714 . 0 0 "[ . 1 ]" 1
1157 1 34 GLU QG 1 35 GLY H 4.900 . 4.900 4.435 4.268 4.577 . 0 0 "[ . 1 ]" 1
1158 1 34 GLU QG 1 36 ILE MD 4.600 . 4.600 3.008 2.139 3.373 . 0 0 "[ . 1 ]" 1
1159 1 35 GLY H 1 36 ILE QG 4.800 . 4.800 3.847 3.634 4.086 . 0 0 "[ . 1 ]" 1
1160 1 36 ILE H 1 36 ILE QG 3.600 . 3.600 2.699 2.375 2.880 . 0 0 "[ . 1 ]" 1
1161 1 36 ILE HA 1 36 ILE QG 3.700 . 3.700 2.569 2.481 2.641 . 0 0 "[ . 1 ]" 1
1162 1 36 ILE QG 1 37 PRO HD2 5.400 . 5.400 3.753 3.569 3.892 . 0 0 "[ . 1 ]" 1
1163 1 37 PRO QB 1 38 PRO HD2 3.900 . 3.900 3.015 2.578 3.312 . 0 0 "[ . 1 ]" 1
1164 1 37 PRO QB 1 38 PRO HD3 4.000 . 4.000 3.630 3.397 3.790 . 0 0 "[ . 1 ]" 1
1165 1 37 PRO QB 1 39 GLN H 4.100 . 4.100 2.857 2.677 3.122 . 0 0 "[ . 1 ]" 1
1166 1 37 PRO QB 1 40 GLN H 4.700 . 4.700 3.027 2.952 3.125 . 0 0 "[ . 1 ]" 1
1167 1 37 PRO HD2 1 40 GLN QG 5.400 . 5.400 4.576 3.861 4.819 . 0 0 "[ . 1 ]" 1
1168 1 39 GLN H 1 39 GLN QE 5.100 . 5.100 3.993 3.569 5.099 . 0 0 "[ . 1 ]" 1
1169 1 39 GLN QB 1 40 GLN QG 4.300 . 4.300 3.215 3.127 3.279 . 0 0 "[ . 1 ]" 1
1170 1 40 GLN H 1 40 GLN QG 3.300 . 3.300 2.737 2.492 2.816 . 0 0 "[ . 1 ]" 1
1171 1 40 GLN HA 1 40 GLN QG 3.400 . 3.400 2.409 2.301 2.950 . 0 0 "[ . 1 ]" 1
1172 1 40 GLN QG 1 41 GLN H 4.800 . 4.800 4.438 4.380 4.465 . 0 0 "[ . 1 ]" 1
1173 1 40 GLN QE 1 71 LEU QD 4.800 . 4.800 4.393 3.905 4.840 0.040 6 0 "[ . 1 ]" 1
1174 1 41 GLN H 1 69 LEU QD 5.400 . 5.400 4.718 4.304 5.048 . 0 0 "[ . 1 ]" 1
1175 1 41 GLN HA 1 69 LEU QD 3.800 . 3.800 3.070 2.346 3.616 . 0 0 "[ . 1 ]" 1
1176 1 41 GLN QB 1 69 LEU QD 3.300 . 3.300 2.043 1.806 2.235 . 0 0 "[ . 1 ]" 1
1177 1 41 GLN HG2 1 69 LEU QD 3.700 . 3.700 2.596 2.235 3.486 . 0 0 "[ . 1 ]" 1
1178 1 42 ARG H 1 42 ARG QG 4.700 . 4.700 3.691 3.285 4.290 . 0 0 "[ . 1 ]" 1
1179 1 42 ARG H 1 69 LEU QD 4.000 . 4.000 2.941 2.307 3.821 . 0 0 "[ . 1 ]" 1
1180 1 42 ARG HA 1 42 ARG QD 4.000 . 4.000 3.785 2.475 4.041 0.041 11 0 "[ . 1 ]" 1
1181 1 42 ARG QB 1 42 ARG QD 3.300 . 3.300 2.137 2.106 2.251 . 0 0 "[ . 1 ]" 1
1182 1 42 ARG QB 1 44 ILE MD 4.700 . 4.700 2.755 2.234 3.229 . 0 0 "[ . 1 ]" 1
1183 1 42 ARG QB 1 69 LEU QD 5.300 . 5.300 4.127 3.718 4.550 . 0 0 "[ . 1 ]" 1
1184 1 42 ARG QB 1 70 VAL HB 4.500 . 4.500 3.613 2.278 4.505 0.005 6 0 "[ . 1 ]" 1
1185 1 42 ARG QB 1 70 VAL QG 5.300 . 5.300 2.769 1.939 3.823 . 0 0 "[ . 1 ]" 1
1186 1 42 ARG QG 1 43 LEU H 3.700 . 3.700 3.143 2.313 3.722 0.022 2 0 "[ . 1 ]" 1
1187 1 42 ARG QD 1 43 LEU H 4.600 . 4.600 4.468 4.006 4.641 0.041 2 0 "[ . 1 ]" 1
1188 1 43 LEU H 1 43 LEU QB 3.100 . 3.100 2.384 2.202 2.512 . 0 0 "[ . 1 ]" 1
1189 1 43 LEU H 1 69 LEU QD 4.800 . 4.800 3.999 3.340 4.819 0.019 1 0 "[ . 1 ]" 1
1190 1 43 LEU HA 1 69 LEU QD 5.500 . 5.500 2.840 2.202 3.712 . 0 0 "[ . 1 ]" 1
1191 1 43 LEU MD1 1 69 LEU QB 4.300 . 4.300 2.905 2.375 3.355 . 0 0 "[ . 1 ]" 1
1192 1 44 ILE H 1 44 ILE QG 3.700 . 3.700 2.814 2.402 3.335 . 0 0 "[ . 1 ]" 1
1193 1 44 ILE H 1 68 HIS QB 4.100 . 4.100 3.319 3.005 4.005 . 0 0 "[ . 1 ]" 1
1194 1 44 ILE HB 1 68 HIS QB 3.400 . 3.400 2.797 2.329 3.501 0.101 10 0 "[ . 1 ]" 1
1195 1 44 ILE MG 1 47 GLY QA 3.800 . 3.800 2.759 2.401 3.133 . 0 0 "[ . 1 ]" 1
1196 1 44 ILE MG 1 68 HIS QB 4.300 . 4.300 3.266 2.491 3.842 . 0 0 "[ . 1 ]" 1
1197 1 44 ILE QG 1 49 GLN HA 4.400 . 4.400 3.929 2.771 4.446 0.046 1 0 "[ . 1 ]" 1
1198 1 44 ILE QG 1 69 LEU HA 4.500 . 4.500 4.069 3.412 4.540 0.040 7 0 "[ . 1 ]" 1
1199 1 44 ILE QG 1 70 VAL H 4.300 . 4.300 3.582 3.094 3.841 . 0 0 "[ . 1 ]" 1
1200 1 44 ILE QG 1 70 VAL QG 3.500 . 3.500 2.415 2.003 3.048 . 0 0 "[ . 1 ]" 1
1201 1 45 TYR H 1 45 TYR QB 3.300 . 3.300 2.624 2.490 2.739 . 0 0 "[ . 1 ]" 1
1202 1 45 TYR QB 1 50 MET ME 5.000 . 5.000 4.095 3.730 4.541 . 0 0 "[ . 1 ]" 1
1203 1 45 TYR QB 1 67 LEU QD 3.900 . 3.900 2.673 2.210 3.339 . 0 0 "[ . 1 ]" 1
1204 1 46 SER QB 1 48 LYS H 4.600 . 4.600 2.988 2.913 3.163 . 0 0 "[ . 1 ]" 1
1205 1 46 SER QB 1 48 LYS HA 5.400 . 5.400 5.494 5.432 5.567 0.167 9 0 "[ . 1 ]" 1
1206 1 50 MET H 1 50 MET QB 3.200 . 3.200 2.448 2.359 2.778 . 0 0 "[ . 1 ]" 1
1207 1 50 MET QB 1 50 MET ME 3.500 . 3.500 2.657 2.245 3.530 0.030 2 0 "[ . 1 ]" 1
1208 1 50 MET QB 1 51 ASN H 3.800 . 3.800 2.934 2.641 3.214 . 0 0 "[ . 1 ]" 1
1209 1 51 ASN H 1 54 LYS QG 4.000 . 4.000 3.479 2.954 3.998 . 0 0 "[ . 1 ]" 1
1210 1 51 ASN HA 1 51 ASN QD 3.400 . 3.400 3.068 2.774 3.419 0.019 4 0 "[ . 1 ]" 1
1211 1 51 ASN HB2 1 54 LYS QG 3.900 . 3.900 2.450 2.307 3.283 . 0 0 "[ . 1 ]" 1
1212 1 51 ASN HB3 1 54 LYS QG 3.700 . 3.700 3.494 2.335 3.726 0.026 9 0 "[ . 1 ]" 1
1213 1 53 GLU H 1 53 GLU QB 3.200 . 3.200 2.335 2.315 2.364 . 0 0 "[ . 1 ]" 1
1214 1 53 GLU H 1 53 GLU QG 3.500 . 3.500 2.797 2.720 2.901 . 0 0 "[ . 1 ]" 1
1215 1 53 GLU H 1 54 LYS QG 4.600 . 4.600 3.869 3.689 4.106 . 0 0 "[ . 1 ]" 1
1216 1 54 LYS H 1 54 LYS QG 3.300 . 3.300 2.811 2.761 2.879 . 0 0 "[ . 1 ]" 1
1217 1 54 LYS HA 1 54 LYS QG 3.600 . 3.600 2.470 2.332 2.733 . 0 0 "[ . 1 ]" 1
1218 1 54 LYS HB3 1 58 ASP QB 3.800 . 3.800 2.851 2.696 3.034 . 0 0 "[ . 1 ]" 1
1219 1 54 LYS QG 1 55 THR H 4.400 . 4.400 3.910 3.758 4.191 . 0 0 "[ . 1 ]" 1
1220 1 54 LYS QD 1 58 ASP QB 4.400 . 4.400 2.857 2.532 3.075 . 0 0 "[ . 1 ]" 1
1221 1 55 THR H 1 58 ASP QB 3.300 . 3.300 2.592 2.423 2.723 . 0 0 "[ . 1 ]" 1
1222 1 56 ALA HA 1 59 TYR QB 4.700 . 4.700 3.454 3.292 3.719 . 0 0 "[ . 1 ]" 1
1223 1 56 ALA MB 1 61 ILE QG 5.300 . 5.300 3.970 2.469 4.477 . 0 0 "[ . 1 ]" 1
1224 1 58 ASP H 1 58 ASP QB 2.900 . 2.900 2.251 2.211 2.271 . 0 0 "[ . 1 ]" 1
1225 1 58 ASP QB 1 59 TYR H 3.600 . 3.600 3.108 3.054 3.150 . 0 0 "[ . 1 ]" 1
1226 1 58 ASP QB 1 60 LYS H 5.400 . 5.400 4.659 4.613 4.697 . 0 0 "[ . 1 ]" 1
1227 1 59 TYR H 1 61 ILE QG 4.500 . 4.500 3.839 3.476 3.973 . 0 0 "[ . 1 ]" 1
1228 1 59 TYR QB 1 60 LYS H 3.900 . 3.900 3.695 3.676 3.717 . 0 0 "[ . 1 ]" 1
1229 1 59 TYR QB 1 60 LYS QG 5.000 . 5.000 4.056 3.997 4.090 . 0 0 "[ . 1 ]" 1
1230 1 59 TYR QB 1 61 ILE H 4.400 . 4.400 3.464 3.435 3.523 . 0 0 "[ . 1 ]" 1
1231 1 59 TYR QB 1 61 ILE QG 3.600 . 3.600 2.394 2.348 2.651 . 0 0 "[ . 1 ]" 1
1232 1 59 TYR QB 1 61 ILE MD 3.600 . 3.600 1.994 1.982 2.018 . 0 0 "[ . 1 ]" 1
1233 1 60 LYS H 1 61 ILE QG 5.100 . 5.100 4.061 4.005 4.141 . 0 0 "[ . 1 ]" 1
1234 1 61 ILE H 1 61 ILE QG 3.100 . 3.100 2.101 1.932 2.184 . 0 0 "[ . 1 ]" 1
1235 1 61 ILE H 1 62 LEU QD 5.500 . 5.500 4.642 3.498 5.514 0.014 9 0 "[ . 1 ]" 1
1236 1 61 ILE HA 1 61 ILE QG 3.700 . 3.700 2.635 2.506 3.230 . 0 0 "[ . 1 ]" 1
1237 1 61 ILE QG 1 62 LEU H 4.600 . 4.600 4.308 4.113 4.636 0.036 9 0 "[ . 1 ]" 1
1238 1 61 ILE QG 1 67 LEU QD 4.700 . 4.700 2.628 2.251 2.930 . 0 0 "[ . 1 ]" 1
1239 1 62 LEU H 1 62 LEU QD 4.300 . 4.300 3.430 2.699 3.955 . 0 0 "[ . 1 ]" 1
1240 1 62 LEU QD 1 63 GLY H 4.800 . 4.800 3.121 2.847 3.545 . 0 0 "[ . 1 ]" 1
1241 1 63 GLY QA 1 64 GLY H 2.900 . 2.900 2.113 2.091 2.189 . 0 0 "[ . 1 ]" 1
1242 1 63 GLY QA 1 65 SER H 4.800 . 4.800 3.481 3.412 3.598 . 0 0 "[ . 1 ]" 1
1243 1 65 SER H 1 66 VAL QG 5.500 . 5.500 4.973 4.900 5.048 . 0 0 "[ . 1 ]" 1
1244 1 65 SER HA 1 66 VAL QG 4.500 . 4.500 3.273 3.218 3.319 . 0 0 "[ . 1 ]" 1
1245 1 66 VAL H 1 66 VAL QG 3.200 . 3.200 2.351 2.246 2.463 . 0 0 "[ . 1 ]" 1
1246 1 66 VAL QG 1 67 LEU H 3.100 . 3.100 2.875 2.429 3.006 . 0 0 "[ . 1 ]" 1
1247 1 66 VAL QG 1 68 HIS HA 5.300 . 5.300 4.551 4.355 4.799 . 0 0 "[ . 1 ]" 1
1248 1 68 HIS H 1 68 HIS QB 3.300 . 3.300 2.398 2.300 2.490 . 0 0 "[ . 1 ]" 1
1249 1 68 HIS QB 1 69 LEU H 3.800 . 3.800 2.826 2.401 3.545 . 0 0 "[ . 1 ]" 1
1250 1 69 LEU H 1 69 LEU QB 3.100 . 3.100 2.565 2.334 2.679 . 0 0 "[ . 1 ]" 1
1251 1 69 LEU H 1 70 VAL QG 5.500 . 5.500 3.898 3.333 4.511 . 0 0 "[ . 1 ]" 1
1252 1 69 LEU HA 1 69 LEU QD 3.600 . 3.600 2.571 2.101 3.064 . 0 0 "[ . 1 ]" 1
1253 1 69 LEU QD 1 70 VAL H 3.600 . 3.600 3.188 2.258 3.611 0.011 7 0 "[ . 1 ]" 1
1254 1 69 LEU QD 1 71 LEU H 5.500 . 5.500 3.996 2.783 4.997 . 0 0 "[ . 1 ]" 1
1255 1 70 VAL H 1 70 VAL QG 3.700 . 3.700 2.220 1.801 2.552 . 0 0 "[ . 1 ]" 1
1256 1 70 VAL HA 1 71 LEU QB 4.400 . 4.400 4.153 3.857 4.431 0.031 11 0 "[ . 1 ]" 1
1257 1 70 VAL QG 1 71 LEU H 3.300 . 3.300 3.175 2.301 3.475 0.175 6 0 "[ . 1 ]" 1
1258 1 71 LEU H 1 71 LEU QB 2.900 . 2.900 2.572 2.319 2.985 0.085 6 0 "[ . 1 ]" 1
1259 1 71 LEU H 1 71 LEU QD 4.700 . 4.700 3.637 2.291 4.158 . 0 0 "[ . 1 ]" 1
1260 1 71 LEU HA 1 71 LEU QD 4.000 . 4.000 2.410 2.067 2.971 . 0 0 "[ . 1 ]" 1
1261 1 71 LEU QB 1 72 ALA H 3.700 . 3.700 2.907 2.305 3.633 . 0 0 "[ . 1 ]" 1
1262 1 71 LEU QB 1 72 ALA HA 4.800 . 4.800 4.442 4.228 4.606 . 0 0 "[ . 1 ]" 1
1263 1 71 LEU QD 1 72 ALA H 3.900 . 3.900 2.680 1.661 3.791 . 0 0 "[ . 1 ]" 1
1264 1 73 LEU H 1 73 LEU QD 4.400 . 4.400 2.816 2.181 3.603 . 0 0 "[ . 1 ]" 1
1265 1 73 LEU HA 1 73 LEU QD 4.100 . 4.100 2.849 2.362 3.441 . 0 0 "[ . 1 ]" 1
1266 1 45 TYR QE 1 65 SER QB 4.000 . 4.000 2.660 2.284 3.612 . 0 0 "[ . 1 ]" 1
1267 1 59 TYR HA 1 59 TYR QD 3.800 . 3.800 3.020 2.955 3.055 . 0 0 "[ . 1 ]" 1
1268 1 45 TYR QD 1 67 LEU HA 4.200 . 4.200 2.907 2.300 3.950 . 0 0 "[ . 1 ]" 1
1269 1 59 TYR HA 1 59 TYR QE 4.700 . 4.700 4.610 4.582 4.627 . 0 0 "[ . 1 ]" 1
1270 1 54 LYS HB2 1 59 TYR QE 3.900 . 3.900 3.033 2.740 3.118 . 0 0 "[ . 1 ]" 1
1271 1 45 TYR QD 1 67 LEU QD 4.100 . 4.100 2.155 1.995 2.252 . 0 0 "[ . 1 ]" 1
1272 1 45 TYR QD 1 61 ILE MD 4.700 . 4.700 3.205 2.793 3.676 . 0 0 "[ . 1 ]" 1
1273 1 59 TYR QD 1 61 ILE MD 5.000 . 5.000 3.462 3.417 3.709 . 0 0 "[ . 1 ]" 1
1274 1 45 TYR QE 1 61 ILE MD 5.400 . 5.400 4.045 3.321 4.541 . 0 0 "[ . 1 ]" 1
1275 1 50 MET HA 1 59 TYR QE 4.900 . 4.900 3.090 2.622 3.415 . 0 0 "[ . 1 ]" 1
1276 1 54 LYS HB3 1 59 TYR QE 4.100 . 4.100 2.736 2.506 2.962 . 0 0 "[ . 1 ]" 1
1277 1 45 TYR QE 1 65 SER HA 5.000 . 5.000 4.437 4.001 4.621 . 0 0 "[ . 1 ]" 1
1278 1 56 ALA HA 1 59 TYR QD 4.600 . 4.600 3.674 3.539 3.765 . 0 0 "[ . 1 ]" 1
1279 1 50 MET ME 1 59 TYR QE 5.200 . 5.200 3.370 3.011 3.761 . 0 0 "[ . 1 ]" 1
1280 1 50 MET ME 1 59 TYR QD 5.000 . 5.000 2.258 2.207 2.376 . 0 0 "[ . 1 ]" 1
1281 1 45 TYR QE 1 67 LEU QD 5.100 . 5.100 3.085 2.536 3.446 . 0 0 "[ . 1 ]" 1
1282 1 45 TYR HA 1 45 TYR QE 4.900 . 4.900 4.560 4.502 4.603 . 0 0 "[ . 1 ]" 1
1283 1 45 TYR HA 1 45 TYR QD 3.500 . 3.500 2.785 2.496 3.064 . 0 0 "[ . 1 ]" 1
1284 1 45 TYR QE 1 61 ILE HA 5.200 . 5.200 4.267 3.818 4.736 . 0 0 "[ . 1 ]" 1
1285 1 45 TYR H 1 45 TYR QD 4.600 . 4.600 4.445 4.386 4.504 . 0 0 "[ . 1 ]" 1
1286 1 59 TYR H 1 59 TYR QD 4.600 . 4.600 2.858 2.794 2.942 . 0 0 "[ . 1 ]" 1
1287 1 45 TYR QE 1 66 VAL H 3.900 . 3.900 3.314 2.902 3.502 . 0 0 "[ . 1 ]" 1
1288 1 51 ASN H 1 59 TYR QE 3.800 . 3.800 3.558 3.279 3.844 0.044 10 0 "[ . 1 ]" 1
1289 1 54 LYS H 1 59 TYR QE 5.500 . 5.500 5.440 5.157 5.521 0.021 7 0 "[ . 1 ]" 1
1290 1 59 TYR H 1 59 TYR QE 5.100 . 5.100 5.011 4.962 5.052 . 0 0 "[ . 1 ]" 1
1291 1 55 THR H 1 59 TYR QE 4.900 . 4.900 4.489 4.037 4.753 . 0 0 "[ . 1 ]" 1
1292 1 45 TYR QE 1 62 LEU H 5.500 . 5.500 5.431 5.222 5.548 0.048 7 0 "[ . 1 ]" 1
1293 1 45 TYR QD 1 66 VAL H 5.200 . 5.200 5.165 4.889 5.270 0.070 10 0 "[ . 1 ]" 1
1294 1 45 TYR QD 1 68 HIS H 4.900 . 4.900 4.061 3.304 4.939 0.039 2 0 "[ . 1 ]" 1
1295 1 45 TYR QD 1 59 TYR QB 4.300 . 4.300 3.256 2.392 4.343 0.043 10 0 "[ . 1 ]" 1
1296 1 58 ASP QB 1 59 TYR QE 4.700 . 4.700 3.343 3.256 3.418 . 0 0 "[ . 1 ]" 1
1297 2 8 GLU H 2 9 THR H 2.800 . 3.500 2.272 2.167 2.416 . 0 0 "[ . 1 ]" 1
1298 2 11 ARG H 2 12 LEU H 2.800 . 3.500 2.769 2.540 2.977 . 0 0 "[ . 1 ]" 1
1299 2 12 LEU H 2 14 ARG H 4.000 2.800 5.700 4.129 4.017 4.377 . 0 0 "[ . 1 ]" 1
1300 2 9 THR H 2 12 LEU H 4.000 2.800 6.000 4.768 4.397 5.299 . 0 0 "[ . 1 ]" 1
1301 2 14 ARG H 2 15 GLN H 2.800 . 3.500 2.743 2.522 3.063 . 0 0 "[ . 1 ]" 1
1302 2 7 ARG H 2 11 ARG H 4.000 2.800 6.000 5.847 5.642 6.057 0.057 11 0 "[ . 1 ]" 1
1303 2 28 ASP H 2 29 PHE H 2.800 . 3.500 2.464 2.429 2.518 . 0 0 "[ . 1 ]" 1
1304 2 29 PHE H 2 30 ILE H 2.800 . 3.500 2.667 2.567 2.741 . 0 0 "[ . 1 ]" 1
1305 2 30 ILE H 2 31 LEU H 2.800 . 3.500 3.335 3.136 3.393 . 0 0 "[ . 1 ]" 1
1306 2 30 ILE H 2 32 GLN H 4.000 . 5.000 4.520 4.398 4.678 . 0 0 "[ . 1 ]" 1
1307 2 27 VAL H 2 29 PHE H 4.000 3.000 6.000 3.624 3.548 3.689 . 0 0 "[ . 1 ]" 1
1308 2 27 VAL H 2 30 ILE H 3.500 . 4.500 5.072 4.880 5.299 0.799 1 7 "[+-* * ***1 ]" 1
1309 2 21 TRP H 2 22 GLY H 2.800 . 3.500 2.568 2.456 2.901 . 0 0 "[ . 1 ]" 1
1310 2 40 ILE H 2 41 ASN H 2.800 . 3.500 2.204 2.080 2.404 . 0 0 "[ . 1 ]" 1
1311 2 48 LEU H 2 49 SER H 2.800 . 3.500 2.649 2.600 2.743 . 0 0 "[ . 1 ]" 1
1312 2 44 SER H 2 46 ALA H 4.000 . 5.000 4.903 4.850 4.949 . 0 0 "[ . 1 ]" 1
1313 2 38 ARG H 2 39 ASP H 2.800 . 3.500 2.222 2.169 2.274 . 0 0 "[ . 1 ]" 1
1314 2 45 GLU H 2 46 ALA H 2.800 . 3.500 3.029 2.944 3.095 . 0 0 "[ . 1 ]" 1
1315 2 45 GLU H 2 47 LEU H 4.000 . 5.000 4.203 4.145 4.265 . 0 0 "[ . 1 ]" 1
1316 2 39 ASP H 2 41 ASN H 4.000 . 5.000 4.355 4.197 4.778 . 0 0 "[ . 1 ]" 1
1317 2 41 ASN H 2 43 LEU H 4.000 . 5.000 4.235 3.975 4.456 . 0 0 "[ . 1 ]" 1
1318 2 37 CYS H 2 39 ASP H 4.000 . 5.000 3.994 3.897 4.120 . 0 0 "[ . 1 ]" 1
1319 2 40 ILE H 2 44 SER H 4.000 . 5.000 5.175 5.009 5.287 0.287 8 0 "[ . 1 ]" 1
1320 2 46 ALA H 2 47 LEU H 2.800 . 3.500 3.135 3.045 3.186 . 0 0 "[ . 1 ]" 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 121
_Distance_constraint_stats_list.Viol_count 463
_Distance_constraint_stats_list.Viol_total 1258.486
_Distance_constraint_stats_list.Viol_max 1.976
_Distance_constraint_stats_list.Viol_rms 0.2150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0860
_Distance_constraint_stats_list.Viol_average_violations_only 0.2471
_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 THR 0.281 0.058 4 0 "[ . 1 ]"
1 11 LYS 1.046 0.127 9 0 "[ . 1 ]"
1 13 ILE 13.543 0.722 10 10 "[-** *****+*]"
1 31 GLU 0.152 0.043 6 0 "[ . 1 ]"
1 32 GLU 0.002 0.002 6 0 "[ . 1 ]"
1 33 LYS 1.920 0.099 1 0 "[ . 1 ]"
1 34 GLU 0.827 0.131 2 0 "[ . 1 ]"
1 35 GLY 0.424 0.059 2 0 "[ . 1 ]"
1 37 PRO 0.187 0.048 4 0 "[ . 1 ]"
2 3 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 4 ARG 0.320 0.091 5 0 "[ . 1 ]"
2 5 LYS 0.533 0.059 2 0 "[ . 1 ]"
2 6 THR 0.000 0.000 . 0 "[ . 1 ]"
2 7 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 8 GLU 8.692 1.065 5 10 "[** *+****-*]"
2 9 THR 0.000 0.000 . 0 "[ . 1 ]"
2 10 GLU 4.385 0.976 11 3 "[* . -+]"
2 11 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 12 LEU 12.573 1.118 9 8 "[***-* **+1 ]"
2 13 ARG 11.709 0.457 4 0 "[ . 1 ]"
2 14 ARG 1.445 0.308 2 0 "[ . 1 ]"
2 19 VAL 7.155 0.457 4 0 "[ . 1 ]"
2 20 PHE 6.991 0.605 10 2 "[ .- + ]"
2 21 TRP 16.488 1.065 5 10 "[** *+****-*]"
2 23 GLN 0.000 0.000 . 0 "[ . 1 ]"
2 24 ASP 1.802 0.099 1 0 "[ . 1 ]"
2 25 HIS 0.094 0.041 2 0 "[ . 1 ]"
2 26 LYS 0.239 0.043 6 0 "[ . 1 ]"
2 27 VAL 0.353 0.137 10 0 "[ . 1 ]"
2 28 ASP 13.789 1.976 10 10 "[******-* +*]"
2 29 PHE 33.705 1.142 11 11 [-*********+]
2 30 ILE 21.586 0.940 6 4 "[ *.+ -* ]"
2 31 LEU 11.683 0.858 6 2 "[ .+ - 1 ]"
2 32 GLN 0.118 0.043 8 0 "[ . 1 ]"
2 33 ARG 0.088 0.020 2 0 "[ . 1 ]"
2 34 GLU 0.186 0.058 4 0 "[ . 1 ]"
2 36 TYR 0.214 0.091 5 0 "[ . 1 ]"
2 37 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 38 ARG 18.777 1.142 11 11 [*******-**+]
2 39 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 40 ILE 1.435 0.245 10 0 "[ . 1 ]"
2 41 ASN 0.616 0.127 3 0 "[ . 1 ]"
2 42 GLN 3.486 0.331 1 0 "[ . 1 ]"
2 43 LEU 5.101 0.673 4 4 "[ +.* -* ]"
2 44 SER 0.000 0.000 . 0 "[ . 1 ]"
2 45 GLU 2.815 0.940 6 3 "[ -.+ * ]"
2 46 ALA 22.413 1.976 10 10 "[******** +*]"
2 47 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 48 LEU 0.197 0.065 9 0 "[ . 1 ]"
2 49 SER 1.445 0.308 2 0 "[ . 1 ]"
2 51 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 52 PHE 0.000 0.000 . 0 "[ . 1 ]"
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 2 7 ARG H 2 8 GLU H 2.800 . 3.500 2.817 2.721 2.951 . 0 0 "[ . 1 ]" 2
2 2 10 GLU H 2 11 ARG H 2.800 . 3.500 2.675 2.585 2.780 . 0 0 "[ . 1 ]" 2
3 2 11 ARG H 2 13 ARG H 4.000 2.800 5.700 4.432 4.058 4.874 . 0 0 "[ . 1 ]" 2
4 2 8 GLU H 2 11 ARG H 4.000 2.800 6.000 4.701 4.479 4.951 . 0 0 "[ . 1 ]" 2
5 2 13 ARG H 2 14 ARG H 2.800 . 3.500 2.795 2.708 2.928 . 0 0 "[ . 1 ]" 2
6 2 6 THR HA 2 9 THR H 4.000 2.800 6.000 3.908 3.559 4.148 . 0 0 "[ . 1 ]" 2
7 2 27 VAL H 2 28 ASP H 2.800 . 3.500 3.154 3.068 3.228 . 0 0 "[ . 1 ]" 2
8 2 29 PHE H 2 31 LEU H 4.000 . 5.000 4.983 4.569 5.089 0.089 1 0 "[ . 1 ]" 2
9 2 26 LYS H 2 28 ASP H 4.000 3.000 6.000 5.462 5.305 5.672 . 0 0 "[ . 1 ]" 2
10 2 26 LYS HA 2 29 PHE H 3.500 . 4.500 3.299 3.160 3.401 . 0 0 "[ . 1 ]" 2
11 2 20 PHE H 2 21 TRP H 2.800 . 3.500 2.367 2.195 2.509 . 0 0 "[ . 1 ]" 2
12 2 39 ASP H 2 40 ILE H 2.800 . 3.500 2.852 2.796 2.899 . 0 0 "[ . 1 ]" 2
13 2 47 LEU H 2 48 LEU H 2.800 . 3.500 2.683 2.654 2.747 . 0 0 "[ . 1 ]" 2
14 2 37 CYS H 2 38 ARG H 2.800 . 3.500 2.792 2.695 2.915 . 0 0 "[ . 1 ]" 2
15 2 44 SER H 2 45 GLU H 2.800 . 3.500 2.738 2.654 2.941 . 0 0 "[ . 1 ]" 2
16 2 44 SER H 2 47 LEU H 4.000 . 5.000 4.819 4.597 4.940 . 0 0 "[ . 1 ]" 2
17 2 38 ARG H 2 40 ILE H 4.000 . 5.000 3.936 3.770 4.042 . 0 0 "[ . 1 ]" 2
18 2 36 TYR H 2 38 ARG H 4.000 . 5.000 4.287 4.085 4.581 . 0 0 "[ . 1 ]" 2
19 2 51 ASN H 2 52 PHE H 2.800 . 3.500 2.794 2.696 2.844 . 0 0 "[ . 1 ]" 2
20 2 45 GLU HA 2 48 LEU H 2.800 . 4.000 3.945 3.584 4.065 0.065 9 0 "[ . 1 ]" 2
21 2 8 GLU H 2 19 VAL HB 3.500 2.500 5.500 5.519 5.181 5.738 0.238 9 0 "[ . 1 ]" 2
22 2 8 GLU H 2 20 PHE QB 3.500 2.500 5.500 4.802 4.420 5.301 . 0 0 "[ . 1 ]" 2
23 2 8 GLU H 2 21 TRP QB 3.500 2.500 5.500 6.240 5.964 6.565 1.065 5 10 "[** *+****-*]" 2
24 2 10 GLU QB 2 46 ALA H 3.500 2.500 5.500 5.899 5.680 6.476 0.976 11 3 "[* . -+]" 2
25 2 12 LEU QD 2 46 ALA H 3.500 2.500 5.500 5.675 5.584 5.951 0.451 5 0 "[ . 1 ]" 2
26 2 12 LEU QD 2 29 PHE H 3.500 2.500 5.500 6.238 5.611 6.618 1.118 9 7 "[*** * -*+1 ]" 2
27 2 12 LEU QD 2 21 TRP H 3.500 2.500 5.500 2.669 1.530 4.046 0.970 9 2 "[ -. +1 ]" 2
28 2 13 ARG QB 2 21 TRP H 3.500 2.500 5.500 5.734 5.574 5.928 0.428 6 0 "[ . 1 ]" 2
29 2 13 ARG H 2 19 VAL HB 3.500 2.500 5.500 5.822 5.711 5.957 0.457 4 0 "[ . 1 ]" 2
30 2 13 ARG QB 2 19 VAL H 3.500 2.500 5.500 5.750 5.638 5.941 0.441 11 0 "[ . 1 ]" 2
31 2 13 ARG H 2 21 TRP QB 3.500 2.500 5.500 4.134 3.552 4.843 . 0 0 "[ . 1 ]" 2
32 2 20 PHE QB 2 30 ILE H 3.500 2.500 5.500 5.712 5.618 5.859 0.359 10 0 "[ . 1 ]" 2
33 2 20 PHE H 2 30 ILE QG 3.500 2.500 5.500 5.871 5.757 6.105 0.605 10 2 "[ .- + ]" 2
34 2 28 ASP QB 2 46 ALA H 3.500 2.500 5.500 6.668 6.000 7.476 1.976 10 10 "[******-* +*]" 2
35 2 29 PHE H 2 38 ARG QB 3.500 2.500 5.500 6.555 6.399 6.642 1.142 11 11 [*******-**+] 2
36 2 29 PHE H 2 42 GLN QB 3.500 2.500 5.500 4.703 4.194 5.156 . 0 0 "[ . 1 ]" 2
37 2 30 ILE QG 2 40 ILE H 3.500 2.500 5.500 5.630 5.528 5.745 0.245 10 0 "[ . 1 ]" 2
38 2 30 ILE QG 2 45 GLU H 3.500 2.500 5.500 5.641 5.179 6.440 0.940 6 3 "[ -.+ * ]" 2
39 2 30 ILE H 2 42 GLN QB 3.500 2.500 5.500 3.685 3.249 3.912 . 0 0 "[ . 1 ]" 2
40 2 30 ILE H 2 38 ARG QB 3.500 2.500 5.500 4.239 4.111 4.295 . 0 0 "[ . 1 ]" 2
41 2 31 LEU H 2 38 ARG QB 3.500 2.500 5.500 3.803 3.404 4.031 . 0 0 "[ . 1 ]" 2
42 2 31 LEU QB 2 38 ARG H 3.500 2.500 5.500 5.985 5.868 6.358 0.858 6 2 "[ .+ - 1 ]" 2
43 2 31 LEU QB 2 40 ILE H 3.500 2.500 5.500 4.314 4.021 4.759 . 0 0 "[ . 1 ]" 2
44 2 31 LEU QB 2 46 ALA H 3.500 2.500 5.500 5.795 5.687 5.883 0.383 4 0 "[ . 1 ]" 2
45 2 12 LEU QD 2 20 PHE HA 3.500 2.500 5.500 4.658 3.373 5.668 0.168 11 0 "[ . 1 ]" 2
46 2 30 ILE QG 2 41 ASN HA 3.500 2.500 5.500 4.249 3.760 5.501 0.001 6 0 "[ . 1 ]" 2
47 2 8 GLU HA 2 19 VAL HB 3.500 2.500 5.500 3.555 2.916 4.312 . 0 0 "[ . 1 ]" 2
48 2 30 ILE QG 2 38 ARG HA 3.500 2.500 5.500 2.436 2.307 2.748 0.193 9 0 "[ . 1 ]" 2
49 2 12 LEU QD 2 27 VAL HA 3.500 2.500 5.500 3.253 2.559 3.752 . 0 0 "[ . 1 ]" 2
50 2 12 LEU HA 2 19 VAL HB 3.500 2.500 5.500 4.636 4.117 5.264 . 0 0 "[ . 1 ]" 2
51 2 21 TRP QB 2 27 VAL HB 3.500 2.500 5.500 5.429 4.804 5.637 0.137 10 0 "[ . 1 ]" 2
52 2 13 ARG QB 2 21 TRP QB 3.500 2.500 5.500 3.721 3.428 4.060 . 0 0 "[ . 1 ]" 2
53 2 21 TRP QB 2 41 ASN QB 3.500 2.500 5.500 2.665 2.373 3.662 0.127 3 0 "[ . 1 ]" 2
54 2 20 PHE QB 2 41 ASN QB 3.500 2.500 5.500 4.132 3.457 5.084 . 0 0 "[ . 1 ]" 2
55 2 13 ARG QB 2 30 ILE QG 3.500 2.500 5.500 5.758 5.531 5.883 0.383 9 0 "[ . 1 ]" 2
56 2 31 LEU QB 2 42 GLN QB 3.500 2.500 5.500 2.258 2.169 2.353 0.331 1 0 "[ . 1 ]" 2
57 2 12 LEU QD 2 19 VAL HB 3.500 2.500 5.500 3.629 2.248 5.407 0.252 9 0 "[ . 1 ]" 2
58 2 30 ILE HB 2 43 LEU QB 3.500 2.500 5.500 5.964 5.819 6.173 0.673 4 4 "[ +.* -* ]" 2
59 2 31 LEU QB 2 41 ASN QB 3.500 2.500 5.500 4.608 4.035 5.548 0.048 6 0 "[ . 1 ]" 2
60 2 20 PHE QB 2 30 ILE HB 3.500 2.500 5.500 4.980 4.596 5.506 0.006 7 0 "[ . 1 ]" 2
61 2 21 TRP QB 2 30 ILE QG 3.500 2.500 5.500 2.307 2.187 2.592 0.313 8 0 "[ . 1 ]" 2
62 2 3 ILE H 2 36 TYR QE 6.000 . 6.000 5.873 5.521 5.984 . 0 0 "[ . 1 ]" 2
63 2 4 ARG HE 2 36 TYR QE 4.800 . 4.800 3.985 3.429 4.400 . 0 0 "[ . 1 ]" 2
64 2 4 ARG HE 2 36 TYR HH 6.000 . 6.000 4.974 2.930 5.909 . 0 0 "[ . 1 ]" 2
65 2 4 ARG HH11 2 36 TYR QE 5.600 . 5.600 3.957 3.147 5.415 . 0 0 "[ . 1 ]" 2
66 2 4 ARG HH11 2 41 ASN HD22 6.000 . 6.000 5.706 4.854 6.066 0.066 7 0 "[ . 1 ]" 2
67 2 4 ARG HH12 2 36 TYR QE 4.800 . 4.800 3.172 1.807 4.507 . 0 0 "[ . 1 ]" 2
68 2 4 ARG HH12 2 36 TYR HH 5.600 . 5.600 4.320 2.381 5.623 0.023 5 0 "[ . 1 ]" 2
69 2 4 ARG QH2 2 36 TYR HD2 5.500 . 5.500 4.298 2.372 5.591 0.091 5 0 "[ . 1 ]" 2
70 2 4 ARG QH2 2 36 TYR QE 4.400 . 4.400 2.208 1.787 2.882 . 0 0 "[ . 1 ]" 2
71 2 4 ARG QH2 2 36 TYR HH 4.500 . 4.500 2.673 1.130 4.014 . 0 0 "[ . 1 ]" 2
72 2 4 ARG QH2 2 36 TYR HD1 5.800 . 5.800 4.488 2.257 5.635 . 0 0 "[ . 1 ]" 2
73 2 5 LYS H 2 41 ASN HD22 4.700 . 4.700 3.464 2.348 4.755 0.055 6 0 "[ . 1 ]" 2
74 2 9 THR HG1 2 41 ASN HD21 5.400 . 5.400 3.388 1.879 5.148 . 0 0 "[ . 1 ]" 2
75 2 14 ARG HH11 2 49 SER HG 5.400 . 5.400 4.689 3.124 5.132 . 0 0 "[ . 1 ]" 2
76 2 14 ARG HH12 2 49 SER HG 5.100 . 5.100 4.808 3.239 5.408 0.308 2 0 "[ . 1 ]" 2
77 2 20 PHE QE 2 38 ARG HE 5.700 . 5.700 2.308 1.877 2.587 . 0 0 "[ . 1 ]" 2
78 2 20 PHE QE 2 38 ARG QH2 4.700 . 4.700 2.664 1.747 3.453 . 0 0 "[ . 1 ]" 2
79 2 20 PHE HZ 2 38 ARG HE 4.100 . 4.100 3.989 3.318 4.148 0.048 7 0 "[ . 1 ]" 2
80 2 20 PHE HZ 2 38 ARG QH2 5.100 . 5.100 3.214 1.827 4.058 . 0 0 "[ . 1 ]" 2
81 2 21 TRP HE1 2 42 GLN HE21 5.800 . 5.800 3.604 2.353 5.211 . 0 0 "[ . 1 ]" 2
82 2 21 TRP HE1 2 42 GLN HE22 4.800 . 4.800 4.496 3.322 4.941 0.141 5 0 "[ . 1 ]" 2
83 2 21 TRP HZ2 2 42 GLN HE21 4.900 . 4.900 4.295 3.328 5.036 0.136 7 0 "[ . 1 ]" 2
84 2 21 TRP HZ2 2 42 GLN HE22 5.400 . 5.400 4.887 3.774 5.402 0.002 3 0 "[ . 1 ]" 2
85 1 33 LYS HA 2 26 LYS QE 4.500 3.500 5.500 4.653 3.909 5.519 0.019 4 0 "[ . 1 ]" 2
86 1 32 GLU HA 2 26 LYS QE 5.800 4.800 6.800 5.936 5.060 6.802 0.002 6 0 "[ . 1 ]" 2
87 1 33 LYS QG 2 26 LYS H 5.200 4.200 6.200 4.812 4.568 5.111 . 0 0 "[ . 1 ]" 2
88 1 9 THR HG1 2 33 ARG H 4.700 3.700 5.700 5.205 4.748 5.587 . 0 0 "[ . 1 ]" 2
89 1 33 LYS QE 2 24 ASP H 4.700 3.700 5.700 5.713 5.617 5.757 0.057 7 0 "[ . 1 ]" 2
90 1 33 LYS QD 2 24 ASP H 5.800 4.800 6.800 6.471 5.932 6.807 0.007 1 0 "[ . 1 ]" 2
91 1 33 LYS QG 2 24 ASP H 4.300 3.300 5.300 5.302 5.132 5.383 0.083 10 0 "[ . 1 ]" 2
92 1 33 LYS QB 2 24 ASP H 6.000 5.000 7.000 7.052 7.012 7.096 0.096 1 0 "[ . 1 ]" 2
93 1 33 LYS QE 2 25 HIS H 3.800 2.800 4.800 3.418 3.027 3.627 . 0 0 "[ . 1 ]" 2
94 1 33 LYS QD 2 25 HIS H 3.400 2.400 4.400 3.093 2.513 3.604 . 0 0 "[ . 1 ]" 2
95 1 33 LYS QG 2 25 HIS H 3.200 2.200 4.200 3.301 2.946 3.568 . 0 0 "[ . 1 ]" 2
96 1 33 LYS QB 2 25 HIS H 3.500 2.500 4.500 4.392 4.091 4.541 0.041 2 0 "[ . 1 ]" 2
97 1 34 GLU QG 2 29 PHE QB 3.200 2.200 4.200 4.074 3.667 4.228 0.028 1 0 "[ . 1 ]" 2
98 1 34 GLU HA 2 29 PHE QE 5.500 4.500 6.500 5.480 5.196 5.691 . 0 0 "[ . 1 ]" 2
99 1 13 ILE HA 2 29 PHE QB 5.900 4.900 6.900 7.505 7.388 7.622 0.722 10 10 "[-** *****+*]" 2
100 1 34 GLU HA 2 29 PHE QB 5.500 4.500 6.500 5.233 4.921 5.495 . 0 0 "[ . 1 ]" 2
101 1 13 ILE QG 2 29 PHE QB 4.400 3.400 5.400 5.884 5.858 5.935 0.535 9 2 "[ - +1 ]" 2
102 1 13 ILE MD 2 29 PHE QB 5.200 4.200 6.200 6.343 6.311 6.389 0.189 5 0 "[ . 1 ]" 2
103 1 34 GLU QG 2 29 PHE H 6.200 5.200 7.200 6.844 6.417 7.085 . 0 0 "[ . 1 ]" 2
104 1 9 THR HG1 2 32 GLN H 6.500 5.500 7.500 6.759 6.341 7.507 0.007 5 0 "[ . 1 ]" 2
105 1 9 THR HG1 2 34 GLU H 5.000 4.000 6.000 5.736 5.094 6.058 0.058 4 0 "[ . 1 ]" 2
106 1 34 GLU QG 2 38 ARG QD 5.800 5.300 6.800 6.864 6.820 6.931 0.131 2 0 "[ . 1 ]" 2
107 1 35 GLY QA 2 20 PHE QE 5.400 4.400 6.400 6.334 5.990 6.454 0.054 5 0 "[ . 1 ]" 2
108 1 11 LYS HA 2 28 ASP OD1 5.400 4.400 6.400 6.485 6.450 6.527 0.127 9 0 "[ . 1 ]" 2
109 1 33 LYS HA 2 26 LYS H 4.900 3.900 5.900 5.412 5.139 5.690 . 0 0 "[ . 1 ]" 2
110 1 33 LYS QZ 2 24 ASP QB 3.100 2.100 4.100 3.269 2.357 3.890 . 0 0 "[ . 1 ]" 2
111 1 31 GLU O 2 26 LYS QZ 3.700 2.700 4.700 4.570 4.143 4.743 0.043 6 0 "[ . 1 ]" 2
112 1 37 PRO QD 2 5 LYS QZ 9.600 8.600 10.600 10.380 9.119 10.648 0.048 4 0 "[ . 1 ]" 2
113 1 35 GLY QA 2 5 LYS QE 7.500 6.500 8.500 8.503 8.402 8.559 0.059 2 0 "[ . 1 ]" 2
114 1 35 GLY O 2 5 LYS QE 9.500 8.500 10.500 9.862 9.593 10.172 . 0 0 "[ . 1 ]" 2
115 1 33 LYS QB 2 23 GLN O 4.500 3.500 5.500 5.016 4.390 5.415 . 0 0 "[ . 1 ]" 2
116 1 9 THR HG1 2 34 GLU OE1 4.100 3.100 5.100 4.715 3.463 5.123 0.023 10 0 "[ . 1 ]" 2
117 1 11 LYS QZ 2 32 GLN O 2.400 . 3.400 3.189 2.433 3.443 0.043 8 0 "[ . 1 ]" 2
118 1 34 GLU O 2 26 LYS QZ 1.800 . 2.800 2.572 1.867 2.822 0.022 3 0 "[ . 1 ]" 2
119 1 33 LYS QZ 2 24 ASP OD1 5.100 4.100 6.100 4.044 4.001 4.089 0.099 1 0 "[ . 1 ]" 2
120 1 9 THR CB 2 33 ARG CG 5.300 4.300 6.300 6.120 4.832 6.320 0.020 2 0 "[ . 1 ]" 2
121 1 11 LYS CE 2 32 GLN CD 4.700 3.700 5.700 4.528 3.677 5.706 0.023 6 0 "[ . 1 ]" 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 82
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 191.901
_Distance_constraint_stats_list.Viol_max 0.466
_Distance_constraint_stats_list.Viol_rms 0.0470
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0193
_Distance_constraint_stats_list.Viol_average_violations_only 0.0455
_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 2 LEU 0.655 0.061 10 0 "[ . 1 ]"
1 3 ILE 0.025 0.014 1 0 "[ . 1 ]"
1 4 LYS 0.311 0.039 2 0 "[ . 1 ]"
1 5 VAL 0.248 0.058 10 0 "[ . 1 ]"
1 6 LYS 0.253 0.055 2 0 "[ . 1 ]"
1 7 THR 0.440 0.051 6 0 "[ . 1 ]"
1 10 GLY 0.385 0.051 6 0 "[ . 1 ]"
1 11 LYS 0.055 0.016 2 0 "[ . 1 ]"
1 13 ILE 0.248 0.058 10 0 "[ . 1 ]"
1 15 ILE 0.025 0.014 1 0 "[ . 1 ]"
1 18 GLU 0.105 0.037 11 0 "[ . 1 ]"
1 19 PRO 0.299 0.048 11 0 "[ . 1 ]"
1 21 ASP 0.105 0.037 11 0 "[ . 1 ]"
1 22 LYS 0.383 0.039 7 0 "[ . 1 ]"
1 23 VAL 0.181 0.028 7 0 "[ . 1 ]"
1 24 GLU 0.592 0.070 7 0 "[ . 1 ]"
1 25 ARG 0.973 0.099 2 0 "[ . 1 ]"
1 26 ILE 0.756 0.089 6 0 "[ . 1 ]"
1 27 LYS 0.082 0.024 4 0 "[ . 1 ]"
1 28 GLU 1.196 0.070 7 0 "[ . 1 ]"
1 29 ARG 1.698 0.122 5 0 "[ . 1 ]"
1 30 VAL 1.344 0.089 6 0 "[ . 1 ]"
1 31 GLU 0.395 0.065 4 0 "[ . 1 ]"
1 32 GLU 0.603 0.064 7 0 "[ . 1 ]"
1 33 LYS 1.696 0.122 5 0 "[ . 1 ]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 35 GLY 0.392 0.065 4 0 "[ . 1 ]"
1 38 PRO 0.481 0.068 11 0 "[ . 1 ]"
1 40 GLN 2.117 0.466 6 0 "[ . 1 ]"
1 41 GLN 0.481 0.068 11 0 "[ . 1 ]"
1 42 ARG 2.391 0.396 4 0 "[ . 1 ]"
1 43 LEU 0.883 0.210 10 0 "[ . 1 ]"
1 44 ILE 0.513 0.087 10 0 "[ . 1 ]"
1 45 TYR 0.250 0.064 10 0 "[ . 1 ]"
1 48 LYS 0.250 0.064 10 0 "[ . 1 ]"
1 50 MET 0.883 0.210 10 0 "[ . 1 ]"
1 51 ASN 0.454 0.054 3 0 "[ . 1 ]"
1 54 LYS 0.555 0.054 3 0 "[ . 1 ]"
1 55 THR 0.413 0.046 10 0 "[ . 1 ]"
1 56 ALA 0.654 0.066 2 0 "[ . 1 ]"
1 57 ALA 0.993 0.075 9 0 "[ . 1 ]"
1 58 ASP 0.413 0.046 10 0 "[ . 1 ]"
1 59 TYR 0.404 0.066 2 0 "[ . 1 ]"
1 60 LYS 0.693 0.075 9 0 "[ . 1 ]"
1 61 ILE 0.250 0.050 7 0 "[ . 1 ]"
1 62 LEU 1.062 0.109 6 0 "[ . 1 ]"
1 64 GLY 0.655 0.061 10 0 "[ . 1 ]"
1 65 SER 1.354 0.109 6 0 "[ . 1 ]"
1 67 LEU 0.072 0.019 6 0 "[ . 1 ]"
1 68 HIS 0.513 0.087 10 0 "[ . 1 ]"
1 69 LEU 0.201 0.055 2 0 "[ . 1 ]"
1 70 VAL 2.391 0.396 4 0 "[ . 1 ]"
1 72 ALA 2.117 0.466 6 0 "[ . 1 ]"
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 5 VAL H 1 13 ILE O 2.000 . 2.000 2.019 2.001 2.058 0.058 10 0 "[ . 1 ]" 3
2 1 5 VAL N 1 13 ILE O 3.000 2.700 3.000 2.960 2.929 3.015 0.015 10 0 "[ . 1 ]" 3
3 1 6 LYS H 1 67 LEU O 2.000 . 2.000 1.959 1.857 2.014 0.014 9 0 "[ . 1 ]" 3
4 1 6 LYS N 1 67 LEU O 3.000 2.700 3.000 2.760 2.685 2.853 0.015 9 0 "[ . 1 ]" 3
5 1 31 GLU O 1 35 GLY H 2.000 . 2.000 2.032 1.978 2.065 0.065 4 0 "[ . 1 ]" 3
6 1 31 GLU O 1 35 GLY N 3.000 2.700 3.000 2.712 2.694 2.739 0.006 10 0 "[ . 1 ]" 3
7 1 38 PRO O 1 41 GLN H 2.000 . 2.000 2.043 2.029 2.068 0.068 11 0 "[ . 1 ]" 3
8 1 38 PRO O 1 41 GLN N 3.000 2.700 3.000 2.939 2.897 3.006 0.006 6 0 "[ . 1 ]" 3
9 1 51 ASN O 1 54 LYS H 2.000 . 2.000 2.041 2.023 2.054 0.054 3 0 "[ . 1 ]" 3
10 1 51 ASN O 1 54 LYS N 3.000 2.700 3.000 2.965 2.955 2.977 . 0 0 "[ . 1 ]" 3
11 1 57 ALA O 1 60 LYS H 2.000 . 2.000 2.063 2.057 2.075 0.075 9 0 "[ . 1 ]" 3
12 1 57 ALA O 1 60 LYS N 3.000 2.700 3.000 2.975 2.952 2.995 . 0 0 "[ . 1 ]" 3
13 1 2 LEU O 1 64 GLY H 2.000 . 2.000 2.045 2.031 2.061 0.061 10 0 "[ . 1 ]" 3
14 1 2 LEU O 1 64 GLY N 3.000 2.700 3.000 2.686 2.676 2.705 0.024 10 0 "[ . 1 ]" 3
15 1 62 LEU O 1 65 SER H 2.000 . 2.000 2.092 2.048 2.109 0.109 6 0 "[ . 1 ]" 3
16 1 62 LEU O 1 65 SER N 3.000 2.700 3.000 2.986 2.914 3.016 0.016 2 0 "[ . 1 ]" 3
17 1 40 GLN O 1 72 ALA H 2.000 . 2.000 2.172 2.008 2.466 0.466 6 0 "[ . 1 ]" 3
18 1 40 GLN O 1 72 ALA N 3.000 2.700 3.000 2.798 2.583 2.947 0.117 11 0 "[ . 1 ]" 3
19 1 3 ILE H 1 15 ILE O 2.200 . 2.200 2.044 1.813 2.214 0.014 1 0 "[ . 1 ]" 3
20 1 3 ILE N 1 15 ILE O 3.200 2.700 3.200 3.001 2.769 3.163 . 0 0 "[ . 1 ]" 3
21 1 7 THR H 1 11 LYS O 2.200 . 2.200 2.181 2.043 2.216 0.016 2 0 "[ . 1 ]" 3
22 1 7 THR N 1 11 LYS O 3.200 2.700 3.200 3.083 2.943 3.136 . 0 0 "[ . 1 ]" 3
23 1 7 THR O 1 10 GLY H 2.200 . 2.200 2.235 2.225 2.251 0.051 6 0 "[ . 1 ]" 3
24 1 7 THR O 1 10 GLY N 3.200 2.700 3.200 3.159 3.112 3.183 . 0 0 "[ . 1 ]" 3
25 1 5 VAL O 1 13 ILE H 2.200 . 2.200 1.903 1.791 1.983 0.009 6 0 "[ . 1 ]" 3
26 1 5 VAL O 1 13 ILE N 3.200 2.700 3.200 2.765 2.698 2.809 0.002 10 0 "[ . 1 ]" 3
27 1 22 LYS O 1 25 ARG H 2.200 . 2.200 2.218 2.202 2.239 0.039 7 0 "[ . 1 ]" 3
28 1 22 LYS O 1 25 ARG N 3.200 2.700 3.200 2.980 2.929 3.025 . 0 0 "[ . 1 ]" 3
29 1 23 VAL O 1 27 LYS H 2.200 . 2.200 2.141 1.942 2.224 0.024 4 0 "[ . 1 ]" 3
30 1 23 VAL O 1 27 LYS N 3.200 2.700 3.200 3.012 2.826 3.101 . 0 0 "[ . 1 ]" 3
31 1 24 GLU O 1 28 GLU H 2.200 . 2.200 2.254 2.244 2.270 0.070 7 0 "[ . 1 ]" 3
32 1 24 GLU O 1 28 GLU N 3.200 2.700 3.200 3.113 3.062 3.154 . 0 0 "[ . 1 ]" 3
33 1 25 ARG O 1 29 ARG H 2.200 . 2.200 2.268 2.245 2.299 0.099 2 0 "[ . 1 ]" 3
34 1 25 ARG O 1 29 ARG N 3.200 2.700 3.200 3.169 3.114 3.219 0.019 5 0 "[ . 1 ]" 3
35 1 26 ILE O 1 30 VAL H 2.200 . 2.200 2.252 2.226 2.289 0.089 6 0 "[ . 1 ]" 3
36 1 26 ILE O 1 30 VAL N 3.200 2.700 3.200 3.131 3.077 3.190 . 0 0 "[ . 1 ]" 3
37 1 27 LYS O 1 31 GLU H 2.200 . 2.200 2.042 1.797 2.194 0.003 7 0 "[ . 1 ]" 3
38 1 27 LYS O 1 31 GLU N 3.200 2.700 3.200 2.965 2.736 3.125 . 0 0 "[ . 1 ]" 3
39 1 28 GLU O 1 32 GLU H 2.200 . 2.200 2.251 2.231 2.264 0.064 7 0 "[ . 1 ]" 3
40 1 28 GLU O 1 32 GLU N 3.200 2.700 3.200 3.172 3.105 3.219 0.019 1 0 "[ . 1 ]" 3
41 1 30 VAL O 1 33 LYS H 2.200 . 2.200 2.270 2.257 2.285 0.085 1 0 "[ . 1 ]" 3
42 1 30 VAL O 1 33 LYS N 3.200 2.700 3.200 2.987 2.919 3.037 . 0 0 "[ . 1 ]" 3
43 1 30 VAL O 1 34 GLU H 2.200 . 2.200 2.005 1.850 2.113 . 0 0 "[ . 1 ]" 3
44 1 30 VAL O 1 34 GLU N 3.200 2.700 3.200 2.974 2.827 3.086 . 0 0 "[ . 1 ]" 3
45 1 42 ARG H 1 70 VAL O 2.200 . 2.200 2.355 2.201 2.596 0.396 4 0 "[ . 1 ]" 3
46 1 42 ARG N 1 70 VAL O 3.200 2.700 3.200 3.099 2.811 3.369 0.169 11 0 "[ . 1 ]" 3
47 1 44 ILE H 1 68 HIS O 2.200 . 2.200 1.838 1.768 1.971 0.032 2 0 "[ . 1 ]" 3
48 1 44 ILE N 1 68 HIS O 3.200 2.700 3.200 2.764 2.686 2.907 0.014 10 0 "[ . 1 ]" 3
49 1 45 TYR O 1 48 LYS H 2.200 . 2.200 2.184 2.099 2.212 0.012 1 0 "[ . 1 ]" 3
50 1 45 TYR O 1 48 LYS N 3.200 2.700 3.200 3.099 2.990 3.151 . 0 0 "[ . 1 ]" 3
51 1 43 LEU O 1 50 MET H 2.200 . 2.200 2.278 2.172 2.410 0.210 10 0 "[ . 1 ]" 3
52 1 43 LEU O 1 50 MET N 3.200 2.700 3.200 3.055 2.868 3.164 . 0 0 "[ . 1 ]" 3
53 1 19 PRO O 1 57 ALA H 2.200 . 2.200 2.227 2.207 2.248 0.048 11 0 "[ . 1 ]" 3
54 1 19 PRO O 1 57 ALA N 3.200 2.700 3.200 2.938 2.867 3.018 . 0 0 "[ . 1 ]" 3
55 1 55 THR O 1 58 ASP H 2.200 . 2.200 2.238 2.228 2.246 0.046 10 0 "[ . 1 ]" 3
56 1 55 THR O 1 58 ASP N 3.200 2.700 3.200 3.034 3.002 3.054 . 0 0 "[ . 1 ]" 3
57 1 56 ALA O 1 59 TYR H 2.200 . 2.200 2.237 2.218 2.266 0.066 2 0 "[ . 1 ]" 3
58 1 56 ALA O 1 59 TYR N 3.200 2.700 3.200 3.142 3.121 3.188 . 0 0 "[ . 1 ]" 3
59 1 4 LYS O 1 67 LEU H 2.200 . 2.200 1.893 1.781 2.092 0.019 6 0 "[ . 1 ]" 3
60 1 4 LYS O 1 67 LEU N 3.200 2.700 3.200 2.814 2.730 2.934 . 0 0 "[ . 1 ]" 3
61 1 44 ILE O 1 68 HIS H 2.200 . 2.200 2.048 1.773 2.217 0.027 2 0 "[ . 1 ]" 3
62 1 44 ILE O 1 68 HIS N 3.200 2.700 3.200 2.894 2.613 3.118 0.087 10 0 "[ . 1 ]" 3
63 1 6 LYS O 1 69 LEU H 2.200 . 2.200 2.190 1.927 2.255 0.055 2 0 "[ . 1 ]" 3
64 1 6 LYS O 1 69 LEU N 3.200 2.700 3.200 3.005 2.788 3.115 . 0 0 "[ . 1 ]" 3
65 1 42 ARG O 1 70 VAL H 2.200 . 2.200 1.986 1.754 2.205 0.046 6 0 "[ . 1 ]" 3
66 1 42 ARG O 1 70 VAL N 3.200 2.700 3.200 2.826 2.699 3.008 0.001 6 0 "[ . 1 ]" 3
67 1 4 LYS H 1 65 SER O 2.400 . 2.400 2.424 2.409 2.439 0.039 2 0 "[ . 1 ]" 3
68 1 4 LYS N 1 65 SER O 3.400 2.700 3.400 3.380 3.320 3.415 0.015 7 0 "[ . 1 ]" 3
69 1 3 ILE O 1 15 ILE H 2.400 . 2.400 2.211 1.990 2.396 . 0 0 "[ . 1 ]" 3
70 1 3 ILE O 1 15 ILE N 3.400 2.700 3.400 3.177 2.949 3.357 . 0 0 "[ . 1 ]" 3
71 1 18 GLU O 1 21 ASP H 2.400 . 2.400 2.388 2.257 2.437 0.037 11 0 "[ . 1 ]" 3
72 1 18 GLU O 1 21 ASP N 3.400 2.700 3.400 3.325 3.194 3.396 . 0 0 "[ . 1 ]" 3
73 1 23 VAL H 1 54 LYS O 2.400 . 2.400 2.348 2.253 2.428 0.028 7 0 "[ . 1 ]" 3
74 1 23 VAL N 1 54 LYS O 3.400 2.700 3.400 3.326 3.228 3.407 0.007 7 0 "[ . 1 ]" 3
75 1 22 LYS O 1 26 ILE H 2.400 . 2.400 2.416 2.392 2.436 0.036 1 0 "[ . 1 ]" 3
76 1 22 LYS O 1 26 ILE N 3.400 2.700 3.400 3.327 3.311 3.361 . 0 0 "[ . 1 ]" 3
77 1 29 ARG O 1 33 LYS H 2.400 . 2.400 2.484 2.447 2.522 0.122 5 0 "[ . 1 ]" 3
78 1 29 ARG O 1 33 LYS N 3.400 2.700 3.400 3.240 3.166 3.301 . 0 0 "[ . 1 ]" 3
79 1 45 TYR H 1 48 LYS O 2.400 . 2.400 2.319 2.021 2.464 0.064 10 0 "[ . 1 ]" 3
80 1 45 TYR N 1 48 LYS O 3.400 2.700 3.400 3.232 2.957 3.328 . 0 0 "[ . 1 ]" 3
81 1 56 ALA O 1 61 ILE H 2.400 . 2.400 2.408 2.320 2.450 0.050 7 0 "[ . 1 ]" 3
82 1 56 ALA O 1 61 ILE N 3.400 2.700 3.400 3.366 3.266 3.417 0.017 7 0 "[ . 1 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 92.479
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0477
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0191
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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
2 6 THR 0.007 0.007 11 0 "[ . 1 ]"
2 7 ARG 0.202 0.096 4 0 "[ . 1 ]"
2 8 GLU 0.298 0.142 11 0 "[ . 1 ]"
2 9 THR 1.039 0.169 6 0 "[ . 1 ]"
2 10 GLU 0.135 0.055 9 0 "[ . 1 ]"
2 11 ARG 0.202 0.096 4 0 "[ . 1 ]"
2 12 LEU 0.298 0.142 11 0 "[ . 1 ]"
2 13 ARG 1.039 0.169 6 0 "[ . 1 ]"
2 14 ARG 0.128 0.055 9 0 "[ . 1 ]"
2 19 VAL 2.642 0.268 11 0 "[ . 1 ]"
2 23 GLN 2.642 0.268 11 0 "[ . 1 ]"
2 26 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 30 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 36 TYR 0.347 0.075 2 0 "[ . 1 ]"
2 37 CYS 1.546 0.137 4 0 "[ . 1 ]"
2 38 ARG 0.230 0.058 6 0 "[ . 1 ]"
2 39 ASP 0.144 0.052 3 0 "[ . 1 ]"
2 40 ILE 0.433 0.086 7 0 "[ . 1 ]"
2 41 ASN 1.546 0.137 4 0 "[ . 1 ]"
2 42 GLN 0.271 0.058 6 0 "[ . 1 ]"
2 43 LEU 1.711 0.201 9 0 "[ . 1 ]"
2 44 SER 0.201 0.086 7 0 "[ . 1 ]"
2 45 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 46 ALA 0.047 0.031 4 0 "[ . 1 ]"
2 47 LEU 1.577 0.201 9 0 "[ . 1 ]"
2 48 LEU 0.115 0.047 4 0 "[ . 1 ]"
2 49 SER 0.000 0.000 . 0 "[ . 1 ]"
2 50 LEU 0.006 0.004 1 0 "[ . 1 ]"
2 51 ASN 0.010 0.010 3 0 "[ . 1 ]"
2 52 PHE 0.000 0.000 . 0 "[ . 1 ]"
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 2 6 THR O 2 10 GLU N 2.800 2.400 3.500 3.175 2.753 3.457 . 0 0 "[ . 1 ]" 4
2 2 6 THR O 2 10 GLU H 1.800 . 2.500 2.220 1.791 2.507 0.007 11 0 "[ . 1 ]" 4
3 2 7 ARG O 2 11 ARG N 2.800 2.400 3.500 3.235 3.061 3.417 . 0 0 "[ . 1 ]" 4
4 2 7 ARG O 2 11 ARG H 1.800 . 2.500 2.414 2.247 2.596 0.096 4 0 "[ . 1 ]" 4
5 2 8 GLU O 2 12 LEU N 2.800 2.400 3.500 3.122 2.336 3.521 0.064 9 0 "[ . 1 ]" 4
6 2 8 GLU O 2 12 LEU H 1.800 . 2.500 2.275 1.488 2.642 0.142 11 0 "[ . 1 ]" 4
7 2 9 THR O 2 13 ARG N 2.800 2.400 3.500 3.467 2.995 3.639 0.139 6 0 "[ . 1 ]" 4
8 2 9 THR O 2 13 ARG H 1.800 . 2.500 2.501 2.069 2.669 0.169 6 0 "[ . 1 ]" 4
9 2 10 GLU O 2 14 ARG N 2.800 2.400 3.500 2.726 2.380 3.464 0.020 6 0 "[ . 1 ]" 4
10 2 10 GLU O 2 14 ARG H 1.800 . 2.500 1.813 1.450 2.555 0.055 9 0 "[ . 1 ]" 4
11 2 19 VAL O 2 23 GLN N 2.800 2.400 3.500 3.478 3.305 3.594 0.094 5 0 "[ . 1 ]" 4
12 2 19 VAL O 2 23 GLN H 1.800 . 2.500 2.717 2.668 2.768 0.268 11 0 "[ . 1 ]" 4
13 2 26 LYS O 2 30 ILE N 2.800 2.400 3.500 3.010 2.781 3.203 . 0 0 "[ . 1 ]" 4
14 2 26 LYS O 2 30 ILE H 1.800 . 2.500 2.093 1.888 2.284 . 0 0 "[ . 1 ]" 4
15 2 36 TYR O 2 40 ILE N 2.800 2.400 3.500 3.048 2.637 3.197 . 0 0 "[ . 1 ]" 4
16 2 36 TYR O 2 40 ILE H 1.800 . 2.500 2.471 2.101 2.575 0.075 2 0 "[ . 1 ]" 4
17 2 37 CYS O 2 41 ASN N 2.800 2.400 3.500 3.535 3.484 3.616 0.116 4 0 "[ . 1 ]" 4
18 2 37 CYS O 2 41 ASN H 1.800 . 2.500 2.602 2.572 2.637 0.137 4 0 "[ . 1 ]" 4
19 2 38 ARG O 2 42 GLN N 2.800 2.400 3.500 3.320 2.850 3.529 0.029 6 0 "[ . 1 ]" 4
20 2 38 ARG O 2 42 GLN H 1.800 . 2.500 2.378 1.910 2.558 0.058 6 0 "[ . 1 ]" 4
21 2 39 ASP O 2 43 LEU N 2.800 2.400 3.500 3.092 2.758 3.326 . 0 0 "[ . 1 ]" 4
22 2 39 ASP O 2 43 LEU H 1.800 . 2.500 2.356 1.941 2.552 0.052 3 0 "[ . 1 ]" 4
23 2 40 ILE O 2 44 SER N 2.800 2.400 3.500 2.673 2.470 3.378 . 0 0 "[ . 1 ]" 4
24 2 40 ILE O 2 44 SER H 1.800 . 2.500 1.805 1.543 2.586 0.086 7 0 "[ . 1 ]" 4
25 2 41 ASN O 2 45 GLU N 2.800 2.400 3.500 2.835 2.496 3.311 . 0 0 "[ . 1 ]" 4
26 2 41 ASN O 2 45 GLU H 1.800 . 2.500 2.012 1.750 2.414 . 0 0 "[ . 1 ]" 4
27 2 42 GLN O 2 46 ALA N 2.800 2.400 3.500 2.639 2.471 2.835 . 0 0 "[ . 1 ]" 4
28 2 42 GLN O 2 46 ALA H 1.800 . 2.500 2.279 1.960 2.531 0.031 4 0 "[ . 1 ]" 4
29 2 43 LEU O 2 47 LEU N 2.800 2.400 3.500 3.416 3.361 3.471 . 0 0 "[ . 1 ]" 4
30 2 43 LEU O 2 47 LEU H 1.800 . 2.500 2.642 2.552 2.701 0.201 9 0 "[ . 1 ]" 4
31 2 44 SER O 2 48 LEU N 2.800 2.400 3.500 3.311 3.166 3.389 . 0 0 "[ . 1 ]" 4
32 2 44 SER O 2 48 LEU H 1.800 . 2.500 2.455 2.299 2.547 0.047 4 0 "[ . 1 ]" 4
33 2 45 GLU O 2 49 SER N 2.800 2.400 3.500 2.983 2.837 3.218 . 0 0 "[ . 1 ]" 4
34 2 45 GLU O 2 49 SER H 1.800 . 2.500 2.039 1.898 2.256 . 0 0 "[ . 1 ]" 4
35 2 46 ALA O 2 50 LEU N 2.800 2.400 3.500 3.191 2.990 3.413 . 0 0 "[ . 1 ]" 4
36 2 46 ALA O 2 50 LEU H 1.800 . 2.500 2.295 2.081 2.504 0.004 1 0 "[ . 1 ]" 4
37 2 47 LEU O 2 51 ASN N 2.800 2.400 3.500 3.146 2.887 3.490 . 0 0 "[ . 1 ]" 4
38 2 47 LEU O 2 51 ASN H 1.800 . 2.500 2.236 1.967 2.510 0.010 3 0 "[ . 1 ]" 4
39 2 48 LEU O 2 52 PHE N 2.800 2.400 3.500 3.048 2.825 3.140 . 0 0 "[ . 1 ]" 4
40 2 48 LEU O 2 52 PHE H 1.800 . 2.500 2.280 1.934 2.486 . 0 0 "[ . 1 ]" 4
stop_
save_