NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392536 |
1q0w   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q0w
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 1345
_Distance_constraint_stats_list.Viol_count 993
_Distance_constraint_stats_list.Viol_total 1795.453
_Distance_constraint_stats_list.Viol_max 0.863
_Distance_constraint_stats_list.Viol_rms 0.0317
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0904
_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 TYR 0.495 0.276 14 0 "[ . 1 . 2]"
1 2 PRO 0.495 0.276 14 0 "[ . 1 . 2]"
1 3 GLU 0.085 0.050 9 0 "[ . 1 . 2]"
1 4 ASP 0.050 0.050 9 0 "[ . 1 . 2]"
1 5 GLU 0.973 0.115 19 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.284 0.068 1 0 "[ . 1 . 2]"
1 8 LEU 2.783 0.321 15 0 "[ . 1 . 2]"
1 9 ILE 0.092 0.040 15 0 "[ . 1 . 2]"
1 10 ARG 1.940 0.331 15 0 "[ . 1 . 2]"
1 11 LYS 0.277 0.068 1 0 "[ . 1 . 2]"
1 12 ALA 0.120 0.068 17 0 "[ . 1 . 2]"
1 13 ILE 0.002 0.002 20 0 "[ . 1 . 2]"
1 14 GLU 3.897 0.563 3 5 "[ *+ -* 1 . * 2]"
1 15 LEU 3.632 0.563 3 5 "[ *+ -* 1 . * 2]"
1 16 SER 0.288 0.068 17 0 "[ . 1 . 2]"
1 17 LEU 0.014 0.009 2 0 "[ . 1 . 2]"
1 18 LYS 0.034 0.021 7 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.145 0.097 1 0 "[ . 1 . 2]"
1 21 ARG 0.131 0.097 1 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.049 0.049 4 0 "[ . 1 . 2]"
2 1 MET 1.622 0.638 3 1 "[ + . 1 . 2]"
2 2 GLN 1.741 0.400 3 0 "[ . 1 . 2]"
2 3 ILE 0.919 0.638 3 1 "[ + . 1 . 2]"
2 4 PHE 2.917 0.289 14 0 "[ . 1 . 2]"
2 5 VAL 0.297 0.089 1 0 "[ . 1 . 2]"
2 6 LYS 1.931 0.358 4 0 "[ . 1 . 2]"
2 7 THR 0.712 0.108 6 0 "[ . 1 . 2]"
2 8 LEU 1.849 0.428 20 0 "[ . 1 . 2]"
2 9 THR 0.148 0.038 6 0 "[ . 1 . 2]"
2 10 GLY 1.177 0.358 4 0 "[ . 1 . 2]"
2 11 LYS 2.590 0.650 1 1 "[+ . 1 . 2]"
2 12 THR 1.014 0.184 15 0 "[ . 1 . 2]"
2 13 ILE 6.594 0.851 17 2 "[- . 1 . + 2]"
2 14 THR 1.061 0.400 3 0 "[ . 1 . 2]"
2 15 LEU 4.277 0.717 3 1 "[ + . 1 . 2]"
2 16 GLU 5.461 0.490 12 0 "[ . 1 . 2]"
2 17 VAL 0.818 0.119 5 0 "[ . 1 . 2]"
2 18 GLU 0.002 0.002 9 0 "[ . 1 . 2]"
2 19 SER 0.119 0.027 19 0 "[ . 1 . 2]"
2 20 SER 0.024 0.013 11 0 "[ . 1 . 2]"
2 21 ASP 0.277 0.208 9 0 "[ . 1 . 2]"
2 22 THR 3.729 0.682 2 1 "[ + . 1 . 2]"
2 23 ILE 0.994 0.263 7 0 "[ . 1 . 2]"
2 24 ASP 0.543 0.079 9 0 "[ . 1 . 2]"
2 25 ASN 3.588 0.682 2 1 "[ + . 1 . 2]"
2 26 VAL 0.195 0.088 19 0 "[ . 1 . 2]"
2 27 LYS 1.296 0.096 5 0 "[ . 1 . 2]"
2 28 SER 0.022 0.022 7 0 "[ . 1 . 2]"
2 29 LYS 3.645 0.652 12 4 "[- * . 1 + * 2]"
2 30 ILE 1.810 0.305 4 0 "[ . 1 . 2]"
2 31 GLN 1.276 0.261 13 0 "[ . 1 . 2]"
2 32 ASP 2.364 0.652 12 3 "[- . 1 + * 2]"
2 33 LYS 2.354 0.851 17 1 "[ . 1 . + 2]"
2 34 GLU 1.636 0.839 4 1 "[ +. 1 . 2]"
2 35 GLY 0.374 0.261 13 0 "[ . 1 . 2]"
2 36 ILE 2.637 0.839 4 1 "[ +. 1 . 2]"
2 37 PRO 0.172 0.039 5 0 "[ . 1 . 2]"
2 38 PRO 0.122 0.046 10 0 "[ . 1 . 2]"
2 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLN 2.242 0.507 15 2 "[ . 1 + - 2]"
2 41 GLN 4.390 0.619 10 3 "[ . + .* - 2]"
2 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 LEU 0.706 0.148 17 0 "[ . 1 . 2]"
2 44 ILE 0.124 0.061 15 0 "[ . 1 . 2]"
2 45 PHE 1.354 0.195 13 0 "[ . 1 . 2]"
2 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 LYS 0.199 0.063 19 0 "[ . 1 . 2]"
2 49 GLN 4.933 0.410 7 0 "[ . 1 . 2]"
2 50 LEU 3.916 0.340 13 0 "[ . 1 . 2]"
2 51 GLU 3.642 0.686 11 1 "[ . 1+ . 2]"
2 52 ASP 2.903 0.296 18 0 "[ . 1 . 2]"
2 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ARG 3.747 0.686 11 2 "[ - . 1+ . 2]"
2 55 THR 0.701 0.100 18 0 "[ . 1 . 2]"
2 56 LEU 1.149 0.863 15 1 "[ . 1 + 2]"
2 57 SER 1.766 0.194 11 0 "[ . 1 . 2]"
2 58 ASP 0.999 0.100 18 0 "[ . 1 . 2]"
2 59 TYR 0.242 0.020 17 0 "[ . 1 . 2]"
2 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 ILE 1.627 0.863 15 1 "[ . 1 + 2]"
2 62 GLN 5.124 0.772 11 7 "[ * .*- *1+ * * 2]"
2 63 LYS 6.774 0.772 11 7 "[ * .*- *1+ * * 2]"
2 64 GLU 0.309 0.165 4 0 "[ . 1 . 2]"
2 65 SER 1.172 0.249 19 0 "[ . 1 . 2]"
2 66 THR 1.060 0.289 14 0 "[ . 1 . 2]"
2 67 LEU 1.214 0.165 10 0 "[ . 1 . 2]"
2 68 HIS 0.241 0.117 2 0 "[ . 1 . 2]"
2 69 LEU 2.833 0.619 10 1 "[ . + . 2]"
2 70 VAL 0.876 0.078 3 0 "[ . 1 . 2]"
2 71 LEU 1.435 0.201 14 0 "[ . 1 . 2]"
2 72 ARG 2.228 0.507 15 2 "[ . 1 + - 2]"
2 73 LEU 1.093 0.314 13 0 "[ . 1 . 2]"
2 74 ARG 0.457 0.136 16 0 "[ . 1 . 2]"
2 75 GLY 0.142 0.106 14 0 "[ . 1 . 2]"
2 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 2 GLN H 2 3 ILE H 4.600 . 6.000 4.438 3.587 4.613 . 0 0 "[ . 1 . 2]" 1
2 2 2 GLN H 2 2 GLN HA 3.000 . 4.100 2.902 2.851 2.946 . 0 0 "[ . 1 . 2]" 1
3 2 1 MET HA 2 2 GLN H 2.400 . 3.100 2.305 2.159 3.113 0.013 2 0 "[ . 1 . 2]" 1
4 2 2 GLN H 2 63 LYS HA 4.400 . 6.000 4.282 3.059 5.176 . 0 0 "[ . 1 . 2]" 1
5 2 1 MET HG2 2 2 GLN H 4.200 . 6.000 3.763 1.997 5.134 0.003 10 0 "[ . 1 . 2]" 1
6 2 1 MET HB2 2 2 GLN H 2.800 . 3.700 2.886 1.836 3.949 0.249 3 0 "[ . 1 . 2]" 1
7 2 2 GLN H 2 2 GLN HB2 2.600 . 3.400 2.434 1.913 3.147 . 0 0 "[ . 1 . 2]" 1
8 2 2 GLN H 2 2 GLN HB3 3.200 . 4.500 3.395 2.757 3.886 . 0 0 "[ . 1 . 2]" 1
9 2 2 GLN H 2 63 LYS QG 3.800 . 5.600 4.642 2.804 5.648 0.048 8 0 "[ . 1 . 2]" 1
10 2 3 ILE H 2 15 LEU H 2.700 . 3.600 2.904 2.507 3.666 0.066 14 0 "[ . 1 . 2]" 1
11 2 3 ILE H 2 4 PHE H 4.300 . 6.000 4.373 4.280 4.587 . 0 0 "[ . 1 . 2]" 1
12 2 2 GLN HA 2 3 ILE H 2.100 . 2.700 2.215 2.158 2.367 . 0 0 "[ . 1 . 2]" 1
13 2 3 ILE H 2 16 GLU HA 3.600 . 5.200 3.400 2.680 3.773 . 0 0 "[ . 1 . 2]" 1
14 2 3 ILE H 2 3 ILE HA 2.900 . 4.000 2.925 2.907 2.949 . 0 0 "[ . 1 . 2]" 1
15 2 2 GLN HB2 2 3 ILE H 3.500 . 5.000 3.426 2.761 4.360 . 0 0 "[ . 1 . 2]" 1
16 2 3 ILE H 2 3 ILE HB 3.800 . 5.600 3.854 3.648 3.931 . 0 0 "[ . 1 . 2]" 1
17 2 2 GLN HB3 2 3 ILE H 3.300 . 4.600 3.475 2.832 4.194 . 0 0 "[ . 1 . 2]" 1
18 2 3 ILE H 2 15 LEU HB3 3.400 . 4.800 3.806 3.529 4.089 . 0 0 "[ . 1 . 2]" 1
19 2 3 ILE H 2 14 THR MG 3.500 . 5.000 3.761 3.317 4.748 . 0 0 "[ . 1 . 2]" 1
20 2 3 ILE H 2 3 ILE HG13 3.200 . 4.500 3.002 2.855 3.119 . 0 0 "[ . 1 . 2]" 1
21 2 3 ILE H 2 3 ILE HG12 2.700 . 3.600 2.347 1.919 2.582 . 0 0 "[ . 1 . 2]" 1
22 2 3 ILE H 2 3 ILE MD 3.100 . 4.300 2.986 2.521 3.141 . 0 0 "[ . 1 . 2]" 1
23 2 3 ILE H 2 17 VAL QG 3.900 . 5.800 3.505 2.460 4.047 . 0 0 "[ . 1 . 2]" 1
24 2 4 PHE H 2 67 LEU H 3.900 . 5.800 4.320 3.905 4.936 . 0 0 "[ . 1 . 2]" 1
25 2 4 PHE H 2 4 PHE QD 3.700 . 5.400 2.870 2.544 3.890 . 0 0 "[ . 1 . 2]" 1
26 2 4 PHE H 2 66 THR HA 3.000 . 4.100 3.281 2.845 3.584 . 0 0 "[ . 1 . 2]" 1
27 2 18 GLU H 2 18 GLU HA 2.900 . 3.900 2.859 2.802 2.907 . 0 0 "[ . 1 . 2]" 1
28 2 17 VAL HA 2 18 GLU H 2.400 . 3.100 2.190 2.139 2.879 . 0 0 "[ . 1 . 2]" 1
29 2 3 ILE HA 2 4 PHE H 2.400 . 3.100 2.233 2.187 2.320 . 0 0 "[ . 1 . 2]" 1
30 2 4 PHE H 2 64 GLU HA 4.300 . 6.000 3.578 2.902 4.313 . 0 0 "[ . 1 . 2]" 1
31 2 4 PHE H 2 4 PHE HB3 3.300 . 4.600 3.543 3.283 3.619 . 0 0 "[ . 1 . 2]" 1
32 2 4 PHE H 2 4 PHE HB2 3.100 . 4.300 2.302 2.187 2.404 . 0 0 "[ . 1 . 2]" 1
33 2 18 GLU H 2 21 ASP QB 3.900 . 5.800 2.967 2.243 3.559 . 0 0 "[ . 1 . 2]" 1
34 2 18 GLU H 2 18 GLU HB3 2.800 . 3.800 2.677 2.043 3.619 . 0 0 "[ . 1 . 2]" 1
35 2 3 ILE HB 2 4 PHE H 2.300 . 3.000 2.896 2.597 3.044 0.044 6 0 "[ . 1 . 2]" 1
36 2 18 GLU H 2 18 GLU HB2 2.300 . 3.000 2.511 2.427 2.892 . 0 0 "[ . 1 . 2]" 1
37 2 4 PHE H 2 66 THR MG 3.800 . 5.600 4.703 3.621 5.336 . 0 0 "[ . 1 . 2]" 1
38 2 3 ILE MD 2 4 PHE H 3.100 . 4.300 3.661 3.510 3.726 . 0 0 "[ . 1 . 2]" 1
39 2 17 VAL QG 2 18 GLU H 3.500 . 5.000 3.287 2.257 3.537 . 0 0 "[ . 1 . 2]" 1
40 2 5 VAL H 2 13 ILE H 2.900 . 4.000 2.603 1.952 3.743 . 0 0 "[ . 1 . 2]" 1
41 2 5 VAL H 2 15 LEU H 4.000 . 6.000 4.703 3.613 5.303 . 0 0 "[ . 1 . 2]" 1
42 2 4 PHE HA 2 5 VAL H 2.300 . 3.000 2.179 2.122 2.492 . 0 0 "[ . 1 . 2]" 1
43 2 5 VAL H 2 14 THR HA 3.900 . 5.800 4.036 3.148 4.466 . 0 0 "[ . 1 . 2]" 1
44 2 4 PHE HB3 2 5 VAL H 3.700 . 5.400 3.176 2.190 3.940 . 0 0 "[ . 1 . 2]" 1
45 2 4 PHE HB2 2 5 VAL H 3.600 . 5.300 4.259 3.667 4.597 . 0 0 "[ . 1 . 2]" 1
46 2 5 VAL H 2 5 VAL HB 2.500 . 3.300 2.597 2.508 2.920 . 0 0 "[ . 1 . 2]" 1
47 2 5 VAL H 2 5 VAL MG2 2.800 . 3.800 2.523 2.238 2.980 . 0 0 "[ . 1 . 2]" 1
48 2 6 LYS H 2 67 LEU H 3.500 . 5.000 3.315 2.420 3.942 . 0 0 "[ . 1 . 2]" 1
49 2 5 VAL H 2 6 LYS H 4.500 . 6.000 4.370 3.896 4.568 . 0 0 "[ . 1 . 2]" 1
50 2 6 LYS H 2 68 HIS HA 2.900 . 4.000 3.622 3.188 3.972 . 0 0 "[ . 1 . 2]" 1
51 2 5 VAL HB 2 6 LYS H 4.500 . 6.000 4.208 4.050 4.342 . 0 0 "[ . 1 . 2]" 1
52 2 6 LYS H 2 6 LYS HB3 2.800 . 3.800 2.721 2.425 3.776 . 0 0 "[ . 1 . 2]" 1
53 2 6 LYS H 2 6 LYS HB2 2.800 . 3.800 2.993 2.521 3.698 . 0 0 "[ . 1 . 2]" 1
54 2 6 LYS H 2 66 THR MG 3.200 . 4.400 3.479 2.416 4.442 0.042 2 0 "[ . 1 . 2]" 1
55 2 5 VAL QG 2 6 LYS H 3.000 . 4.100 2.625 2.263 3.034 . 0 0 "[ . 1 . 2]" 1
56 2 6 LYS H 2 7 THR H 4.000 . 6.000 4.394 4.225 4.518 . 0 0 "[ . 1 . 2]" 1
57 2 6 LYS HA 2 7 THR H 2.200 . 2.800 2.146 2.113 2.174 . 0 0 "[ . 1 . 2]" 1
58 2 7 THR H 2 7 THR HB 3.600 . 5.300 3.662 3.606 3.810 . 0 0 "[ . 1 . 2]" 1
59 2 7 THR H 2 11 LYS HB3 3.600 . 5.200 3.388 2.875 3.950 . 0 0 "[ . 1 . 2]" 1
60 2 6 LYS HG3 2 7 THR H 3.900 . 5.800 3.403 2.749 5.286 . 0 0 "[ . 1 . 2]" 1
61 2 6 LYS HB3 2 7 THR H 3.400 . 4.900 4.072 3.133 4.340 . 0 0 "[ . 1 . 2]" 1
62 2 7 THR H 2 7 THR MG 2.600 . 3.400 2.539 2.384 2.808 . 0 0 "[ . 1 . 2]" 1
63 2 5 VAL QG 2 7 THR H 3.800 . 5.600 4.309 3.969 4.777 . 0 0 "[ . 1 . 2]" 1
64 2 7 THR HA 2 8 LEU H 2.700 . 3.600 2.432 2.160 2.973 . 0 0 "[ . 1 . 2]" 1
65 2 8 LEU H 2 8 LEU HB3 2.600 . 3.500 2.859 2.146 3.492 . 0 0 "[ . 1 . 2]" 1
66 2 8 LEU H 2 8 LEU HB2 2.900 . 4.000 2.445 2.262 3.348 . 0 0 "[ . 1 . 2]" 1
67 2 7 THR MG 2 8 LEU H 4.400 . 6.000 3.721 3.430 4.026 . 0 0 "[ . 1 . 2]" 1
68 2 8 LEU H 2 8 LEU MD2 4.200 . 6.000 3.178 1.906 4.375 0.094 11 0 "[ . 1 . 2]" 1
69 2 8 LEU H 2 9 THR H 3.100 . 4.300 2.933 2.278 4.338 0.038 6 0 "[ . 1 . 2]" 1
70 2 9 THR H 2 10 GLY H 2.500 . 3.300 2.643 1.936 3.175 . 0 0 "[ . 1 . 2]" 1
71 2 7 THR HA 2 9 THR H 4.600 . 6.000 4.442 3.955 5.484 . 0 0 "[ . 1 . 2]" 1
72 2 9 THR H 2 9 THR HB 4.100 . 6.000 3.368 2.565 3.926 . 0 0 "[ . 1 . 2]" 1
73 2 8 LEU HA 2 9 THR H 3.500 . 5.000 3.351 2.633 3.576 . 0 0 "[ . 1 . 2]" 1
74 2 9 THR H 2 10 GLY HA3 5.700 . 6.000 5.055 3.986 5.523 . 0 0 "[ . 1 . 2]" 1
75 2 8 LEU HB3 2 9 THR H 3.700 . 5.400 3.414 1.986 4.410 0.014 6 0 "[ . 1 . 2]" 1
76 2 8 LEU HB2 2 9 THR H 3.600 . 5.200 3.252 2.072 4.400 . 0 0 "[ . 1 . 2]" 1
77 2 9 THR H 2 9 THR MG 3.000 . 4.100 2.582 1.894 4.008 0.006 4 0 "[ . 1 . 2]" 1
78 2 7 THR H 2 10 GLY H 4.300 . 6.000 4.035 3.623 4.975 . 0 0 "[ . 1 . 2]" 1
79 2 10 GLY H 2 11 LYS H 2.600 . 3.500 2.411 1.705 3.518 0.018 2 0 "[ . 1 . 2]" 1
80 2 9 THR HB 2 10 GLY H 4.500 . 6.000 3.700 2.397 4.637 . 0 0 "[ . 1 . 2]" 1
81 2 9 THR HA 2 10 GLY H 3.000 . 4.200 3.407 2.604 3.599 . 0 0 "[ . 1 . 2]" 1
82 2 10 GLY H 2 10 GLY HA2 2.600 . 3.500 2.608 2.293 2.909 . 0 0 "[ . 1 . 2]" 1
83 2 10 GLY H 2 10 GLY HA3 2.500 . 3.300 2.890 2.669 2.954 . 0 0 "[ . 1 . 2]" 1
84 2 6 LYS QE 2 10 GLY H 5.000 . 6.000 4.889 3.061 6.054 0.054 10 0 "[ . 1 . 2]" 1
85 2 10 GLY H 2 11 LYS HB2 4.500 . 6.000 4.332 3.870 5.753 . 0 0 "[ . 1 . 2]" 1
86 2 9 THR MG 2 10 GLY H 3.900 . 5.800 3.472 1.970 4.387 0.030 4 0 "[ . 1 . 2]" 1
87 2 7 THR H 2 11 LYS H 3.100 . 4.300 3.030 2.223 4.273 . 0 0 "[ . 1 . 2]" 1
88 2 9 THR H 2 11 LYS H 3.700 . 5.500 4.385 3.089 5.223 . 0 0 "[ . 1 . 2]" 1
89 2 10 GLY HA3 2 11 LYS H 3.400 . 4.900 3.358 2.138 3.592 . 0 0 "[ . 1 . 2]" 1
90 2 11 LYS H 2 11 LYS HB3 2.500 . 3.300 2.819 2.480 3.022 . 0 0 "[ . 1 . 2]" 1
91 2 11 LYS H 2 11 LYS HB2 2.500 . 3.300 3.027 2.345 3.360 0.060 7 0 "[ . 1 . 2]" 1
92 2 11 LYS H 2 11 LYS HG2 3.900 . 5.800 4.725 4.405 5.148 . 0 0 "[ . 1 . 2]" 1
93 2 7 THR MG 2 11 LYS H 3.700 . 5.400 4.098 3.269 4.676 . 0 0 "[ . 1 . 2]" 1
94 2 12 THR H 2 12 THR HA 3.000 . 4.100 2.926 2.905 2.950 . 0 0 "[ . 1 . 2]" 1
95 2 11 LYS HA 2 12 THR H 2.200 . 2.800 2.155 2.130 2.223 . 0 0 "[ . 1 . 2]" 1
96 2 12 THR H 2 12 THR HB 2.700 . 3.600 3.284 2.655 3.784 0.184 15 0 "[ . 1 . 2]" 1
97 2 11 LYS HB2 2 12 THR H 3.800 . 5.600 4.235 4.055 4.404 . 0 0 "[ . 1 . 2]" 1
98 2 11 LYS HG2 2 12 THR H 3.400 . 4.800 3.830 2.635 4.869 0.069 10 0 "[ . 1 . 2]" 1
99 2 11 LYS HB3 2 12 THR H 3.500 . 5.000 4.134 3.899 4.326 . 0 0 "[ . 1 . 2]" 1
100 2 12 THR H 2 12 THR MG 3.800 . 5.600 3.273 2.091 3.972 . 0 0 "[ . 1 . 2]" 1
101 2 6 LYS HA 2 13 ILE H 4.200 . 6.000 3.952 3.340 4.326 . 0 0 "[ . 1 . 2]" 1
102 2 12 THR HA 2 13 ILE H 2.400 . 3.100 2.215 2.179 2.237 . 0 0 "[ . 1 . 2]" 1
103 2 12 THR HB 2 13 ILE H 4.900 . 6.000 3.555 2.969 4.154 . 0 0 "[ . 1 . 2]" 1
104 2 13 ILE H 2 13 ILE HB 2.800 . 3.800 2.800 2.656 2.961 . 0 0 "[ . 1 . 2]" 1
105 2 13 ILE H 2 13 ILE HG12 3.100 . 4.300 3.800 2.902 4.713 0.413 4 0 "[ . 1 . 2]" 1
106 2 13 ILE H 2 13 ILE MG 4.000 . 6.000 3.892 3.830 3.979 . 0 0 "[ . 1 . 2]" 1
107 2 13 ILE H 2 14 THR H 4.700 . 6.000 4.349 4.271 4.450 . 0 0 "[ . 1 . 2]" 1
108 2 13 ILE HA 2 14 THR H 2.200 . 2.800 2.184 2.153 2.222 . 0 0 "[ . 1 . 2]" 1
109 2 14 THR H 2 14 THR HB 2.600 . 3.500 2.618 2.524 2.705 . 0 0 "[ . 1 . 2]" 1
110 2 13 ILE HB 2 14 THR H 3.500 . 5.100 4.029 3.880 4.143 . 0 0 "[ . 1 . 2]" 1
111 2 13 ILE HG12 2 14 THR H 4.800 . 6.000 4.443 3.819 5.034 . 0 0 "[ . 1 . 2]" 1
112 2 13 ILE MG 2 14 THR H 2.900 . 3.900 2.097 1.887 2.383 0.013 7 0 "[ . 1 . 2]" 1
113 2 13 ILE MD 2 14 THR H 4.200 . 6.000 4.305 3.260 5.001 . 0 0 "[ . 1 . 2]" 1
114 2 15 LEU H 2 16 GLU H 4.100 . 6.000 3.954 3.815 4.088 . 0 0 "[ . 1 . 2]" 1
115 2 4 PHE HA 2 15 LEU H 3.700 . 5.400 3.403 2.958 3.704 . 0 0 "[ . 1 . 2]" 1
116 2 2 GLN HA 2 15 LEU H 4.000 . 6.000 4.260 3.708 4.816 . 0 0 "[ . 1 . 2]" 1
117 2 14 THR HA 2 15 LEU H 2.300 . 3.000 2.238 2.198 2.275 . 0 0 "[ . 1 . 2]" 1
118 2 14 THR HB 2 15 LEU H 4.200 . 6.000 3.908 3.757 4.072 . 0 0 "[ . 1 . 2]" 1
119 2 15 LEU H 2 15 LEU HB3 2.600 . 3.400 3.011 2.804 3.200 . 0 0 "[ . 1 . 2]" 1
120 2 14 THR MG 2 15 LEU H 2.800 . 3.800 2.214 2.008 2.429 . 0 0 "[ . 1 . 2]" 1
121 2 3 ILE HG13 2 15 LEU H 3.400 . 4.900 3.979 3.662 4.403 . 0 0 "[ . 1 . 2]" 1
122 2 15 LEU H 2 15 LEU HB2 3.100 . 4.300 3.197 3.071 3.417 . 0 0 "[ . 1 . 2]" 1
123 2 16 GLU H 2 17 VAL H 4.300 . 6.000 4.548 4.496 4.585 . 0 0 "[ . 1 . 2]" 1
124 2 16 GLU H 2 16 GLU HA 2.800 . 3.800 2.871 2.833 2.914 . 0 0 "[ . 1 . 2]" 1
125 2 16 GLU H 2 16 GLU HG2 4.000 . 6.000 4.453 3.436 4.623 . 0 0 "[ . 1 . 2]" 1
126 2 16 GLU H 2 16 GLU HG3 3.800 . 5.600 4.390 2.002 4.707 . 0 0 "[ . 1 . 2]" 1
127 2 16 GLU H 2 16 GLU HB3 2.500 . 3.300 2.486 2.338 2.601 . 0 0 "[ . 1 . 2]" 1
128 2 16 GLU H 2 16 GLU HB2 2.500 . 3.300 2.681 2.462 3.558 0.258 5 0 "[ . 1 . 2]" 1
129 2 15 LEU HB3 2 16 GLU H 3.400 . 4.800 4.232 4.075 4.416 . 0 0 "[ . 1 . 2]" 1
130 2 15 LEU HB2 2 16 GLU H 3.400 . 4.900 4.444 4.348 4.543 . 0 0 "[ . 1 . 2]" 1
131 2 2 GLN HA 2 17 VAL H 3.600 . 5.200 3.072 2.135 3.999 . 0 0 "[ . 1 . 2]" 1
132 2 16 GLU HA 2 17 VAL H 2.200 . 2.800 2.168 2.141 2.195 . 0 0 "[ . 1 . 2]" 1
133 2 17 VAL H 2 17 VAL HA 3.000 . 4.100 2.900 2.848 2.925 . 0 0 "[ . 1 . 2]" 1
134 2 1 MET HG2 2 17 VAL H 4.700 . 6.000 4.617 3.499 5.574 . 0 0 "[ . 1 . 2]" 1
135 2 17 VAL H 2 17 VAL HB 3.900 . 5.800 3.816 2.692 3.937 . 0 0 "[ . 1 . 2]" 1
136 2 16 GLU HG2 2 17 VAL H 4.200 . 6.000 3.494 2.680 5.024 . 0 0 "[ . 1 . 2]" 1
137 2 16 GLU HG3 2 17 VAL H 3.400 . 4.900 3.624 2.829 4.773 . 0 0 "[ . 1 . 2]" 1
138 2 16 GLU HB3 2 17 VAL H 3.900 . 5.800 4.119 3.948 4.215 . 0 0 "[ . 1 . 2]" 1
139 2 16 GLU HB2 2 17 VAL H 4.100 . 6.000 4.107 2.804 4.320 . 0 0 "[ . 1 . 2]" 1
140 2 17 VAL H 2 17 VAL QG 3.000 . 3.400 2.362 2.198 3.121 . 0 0 "[ . 1 . 2]" 1
141 2 3 ILE MD 2 17 VAL H 3.900 . 5.800 4.147 3.832 4.558 . 0 0 "[ . 1 . 2]" 1
142 2 18 GLU HA 2 19 SER H 2.300 . 3.000 2.224 2.186 2.307 . 0 0 "[ . 1 . 2]" 1
143 2 19 SER H 2 19 SER HA 2.500 . 3.300 2.251 2.160 2.346 . 0 0 "[ . 1 . 2]" 1
144 2 18 GLU HG3 2 19 SER H 4.400 . 6.000 5.113 5.001 5.273 . 0 0 "[ . 1 . 2]" 1
145 2 18 GLU HB3 2 19 SER H 2.900 . 3.900 2.960 2.765 3.076 . 0 0 "[ . 1 . 2]" 1
146 2 18 GLU HB2 2 19 SER H 3.400 . 4.900 3.992 3.846 4.103 . 0 0 "[ . 1 . 2]" 1
147 2 19 SER H 2 20 SER H 2.900 . 3.900 2.783 2.686 2.892 . 0 0 "[ . 1 . 2]" 1
148 2 20 SER H 2 21 ASP H 2.600 . 3.400 2.783 2.533 3.230 . 0 0 "[ . 1 . 2]" 1
149 2 18 GLU HA 2 20 SER H 4.000 . 6.000 4.167 4.025 4.501 . 0 0 "[ . 1 . 2]" 1
150 2 20 SER H 2 20 SER HA 2.900 . 4.000 2.827 2.787 2.931 . 0 0 "[ . 1 . 2]" 1
151 2 20 SER H 2 20 SER HB2 3.200 . 4.500 2.747 2.470 3.676 . 0 0 "[ . 1 . 2]" 1
152 2 19 SER HA 2 20 SER H 2.800 . 3.800 2.712 2.362 3.087 . 0 0 "[ . 1 . 2]" 1
153 2 20 SER H 2 20 SER HB3 2.800 . 3.700 3.140 2.495 3.651 . 0 0 "[ . 1 . 2]" 1
154 2 20 SER H 2 21 ASP QB 4.400 . 6.000 4.596 4.203 4.791 . 0 0 "[ . 1 . 2]" 1
155 2 18 GLU HG3 2 20 SER H 4.100 . 6.000 5.492 5.184 6.002 0.002 9 0 "[ . 1 . 2]" 1
156 2 18 GLU HB3 2 20 SER H 2.600 . 3.500 2.930 2.773 3.171 . 0 0 "[ . 1 . 2]" 1
157 2 18 GLU HB2 2 20 SER H 3.000 . 4.100 3.743 3.434 3.932 . 0 0 "[ . 1 . 2]" 1
158 2 21 ASP H 2 56 LEU H 3.700 . 5.400 4.686 3.145 5.246 . 0 0 "[ . 1 . 2]" 1
159 2 18 GLU H 2 21 ASP H 3.800 . 5.600 4.380 3.825 5.304 . 0 0 "[ . 1 . 2]" 1
160 2 19 SER H 2 21 ASP H 4.400 . 6.000 4.340 4.023 4.647 . 0 0 "[ . 1 . 2]" 1
161 2 21 ASP H 2 21 ASP HA 2.900 . 4.000 2.813 2.752 2.945 . 0 0 "[ . 1 . 2]" 1
162 2 20 SER HA 2 21 ASP H 3.300 . 4.700 3.397 2.798 3.560 . 0 0 "[ . 1 . 2]" 1
163 2 21 ASP H 2 55 THR HB 3.900 . 5.800 5.409 3.905 5.810 0.010 5 0 "[ . 1 . 2]" 1
164 2 19 SER HA 2 21 ASP H 3.600 . 5.200 4.141 3.536 4.433 . 0 0 "[ . 1 . 2]" 1
165 2 20 SER HB2 2 21 ASP H 4.300 . 6.000 3.389 2.482 4.473 . 0 0 "[ . 1 . 2]" 1
166 2 20 SER HB3 2 21 ASP H 4.100 . 6.000 3.608 2.509 4.653 . 0 0 "[ . 1 . 2]" 1
167 2 21 ASP H 2 21 ASP QB 2.400 . 3.100 2.423 2.240 2.519 . 0 0 "[ . 1 . 2]" 1
168 2 18 GLU HB3 2 21 ASP H 3.600 . 5.200 3.465 2.987 4.721 . 0 0 "[ . 1 . 2]" 1
169 2 21 ASP H 2 56 LEU HB2 4.500 . 6.000 4.851 3.270 5.722 . 0 0 "[ . 1 . 2]" 1
170 2 18 GLU HB2 2 21 ASP H 3.100 . 4.300 2.815 2.378 4.137 . 0 0 "[ . 1 . 2]" 1
171 2 22 THR H 2 25 ASN HD21 4.200 . 6.000 4.532 1.318 5.263 0.682 2 1 "[ + . 1 . 2]" 1
172 2 22 THR H 2 55 THR HA 4.500 . 6.000 4.310 3.915 4.869 . 0 0 "[ . 1 . 2]" 1
173 2 22 THR H 2 22 THR HA 3.000 . 4.100 2.856 2.826 2.895 . 0 0 "[ . 1 . 2]" 1
174 2 21 ASP HA 2 22 THR H 2.300 . 2.900 2.206 2.138 2.959 0.059 9 0 "[ . 1 . 2]" 1
175 2 22 THR H 2 25 ASN HB3 2.800 . 3.800 3.735 2.928 4.265 0.465 8 0 "[ . 1 . 2]" 1
176 2 21 ASP QB 2 22 THR H 3.700 . 4.200 3.144 1.792 3.730 0.208 9 0 "[ . 1 . 2]" 1
177 2 22 THR H 2 25 ASN HB2 3.000 . 4.200 3.528 2.893 4.090 . 0 0 "[ . 1 . 2]" 1
178 2 22 THR H 2 22 THR MG 2.600 . 3.500 2.335 1.731 3.254 . 0 0 "[ . 1 . 2]" 1
179 2 22 THR H 2 55 THR MG 3.500 . 5.000 4.192 3.678 4.938 . 0 0 "[ . 1 . 2]" 1
180 2 23 ILE H 2 24 ASP H 3.000 . 4.100 2.659 2.375 2.875 . 0 0 "[ . 1 . 2]" 1
181 2 23 ILE H 2 55 THR HA 3.500 . 5.000 4.221 3.675 4.676 . 0 0 "[ . 1 . 2]" 1
182 2 22 THR HA 2 23 ILE H 2.500 . 3.300 2.562 2.215 2.941 . 0 0 "[ . 1 . 2]" 1
183 2 48 LYS HA 2 49 GLN H 2.200 . 2.800 2.166 2.133 2.290 . 0 0 "[ . 1 . 2]" 1
184 2 23 ILE H 2 52 ASP HA 4.700 . 6.000 4.305 3.931 4.947 . 0 0 "[ . 1 . 2]" 1
185 2 23 ILE H 2 23 ILE HB 2.500 . 3.300 2.539 2.437 2.614 . 0 0 "[ . 1 . 2]" 1
186 2 23 ILE H 2 23 ILE HG12 2.300 . 3.000 2.165 1.992 2.425 . 0 0 "[ . 1 . 2]" 1
187 2 23 ILE H 2 23 ILE MG 3.700 . 5.500 3.772 3.758 3.788 . 0 0 "[ . 1 . 2]" 1
188 2 23 ILE H 2 23 ILE MD 3.500 . 5.100 3.253 3.031 3.507 . 0 0 "[ . 1 . 2]" 1
189 2 24 ASP H 2 52 ASP HA 3.800 . 5.600 3.402 2.834 4.061 . 0 0 "[ . 1 . 2]" 1
190 2 24 ASP H 2 24 ASP QB 2.900 . 4.000 2.338 2.247 2.549 . 0 0 "[ . 1 . 2]" 1
191 2 23 ILE HB 2 24 ASP H 3.200 . 4.500 2.624 2.458 2.768 . 0 0 "[ . 1 . 2]" 1
192 2 24 ASP H 2 25 ASN H 2.900 . 4.000 2.833 2.737 2.913 . 0 0 "[ . 1 . 2]" 1
193 2 23 ILE H 2 25 ASN H 4.400 . 6.000 4.316 3.925 4.582 . 0 0 "[ . 1 . 2]" 1
194 2 25 ASN H 2 27 LYS H 4.100 . 6.000 4.186 4.040 4.300 . 0 0 "[ . 1 . 2]" 1
195 2 25 ASN H 2 26 VAL H 2.300 . 2.900 2.711 2.664 2.753 . 0 0 "[ . 1 . 2]" 1
196 2 25 ASN H 2 25 ASN HD22 4.000 . 6.000 5.268 3.377 5.808 . 0 0 "[ . 1 . 2]" 1
197 2 25 ASN H 2 25 ASN HA 2.900 . 3.900 2.799 2.787 2.809 . 0 0 "[ . 1 . 2]" 1
198 2 24 ASP HA 2 25 ASN H 3.600 . 5.200 3.548 3.516 3.565 . 0 0 "[ . 1 . 2]" 1
199 2 23 ILE HA 2 25 ASN H 4.300 . 6.000 4.367 4.179 4.620 . 0 0 "[ . 1 . 2]" 1
200 2 25 ASN H 2 25 ASN HB3 2.600 . 3.500 2.809 2.497 3.592 0.092 17 0 "[ . 1 . 2]" 1
201 2 25 ASN H 2 25 ASN HB2 2.800 . 3.800 2.497 2.349 2.573 . 0 0 "[ . 1 . 2]" 1
202 2 24 ASP QB 2 25 ASN H 2.600 . 3.500 2.519 2.356 3.396 . 0 0 "[ . 1 . 2]" 1
203 2 22 THR MG 2 25 ASN H 4.600 . 6.000 4.485 2.368 4.936 . 0 0 "[ . 1 . 2]" 1
204 2 25 ASN H 2 26 VAL MG2 4.800 . 6.000 4.076 3.915 4.245 . 0 0 "[ . 1 . 2]" 1
205 2 23 ILE MG 2 25 ASN H 5.600 . 6.000 4.956 4.798 5.095 . 0 0 "[ . 1 . 2]" 1
206 2 26 VAL H 2 27 LYS H 2.600 . 3.400 2.724 2.642 2.782 . 0 0 "[ . 1 . 2]" 1
207 2 25 ASN HA 2 26 VAL H 3.500 . 5.000 3.539 3.525 3.552 . 0 0 "[ . 1 . 2]" 1
208 2 24 ASP HA 2 26 VAL H 4.100 . 6.000 4.444 4.293 4.547 . 0 0 "[ . 1 . 2]" 1
209 2 23 ILE HA 2 26 VAL H 3.000 . 4.200 3.355 3.245 3.506 . 0 0 "[ . 1 . 2]" 1
210 2 26 VAL H 2 26 VAL HA 2.900 . 3.900 2.794 2.781 2.809 . 0 0 "[ . 1 . 2]" 1
211 2 25 ASN HB3 2 26 VAL H 2.800 . 3.800 2.792 2.442 3.632 . 0 0 "[ . 1 . 2]" 1
212 2 25 ASN HB2 2 26 VAL H 3.600 . 5.200 3.524 2.476 3.890 . 0 0 "[ . 1 . 2]" 1
213 2 21 ASP QB 2 26 VAL H 3.600 . 5.300 4.323 3.812 5.047 . 0 0 "[ . 1 . 2]" 1
214 2 26 VAL H 2 26 VAL HB 2.400 . 3.100 2.596 2.563 2.653 . 0 0 "[ . 1 . 2]" 1
215 2 26 VAL H 2 26 VAL MG2 2.400 . 3.100 2.073 1.830 2.238 . 0 0 "[ . 1 . 2]" 1
216 2 27 LYS H 2 27 LYS HA 2.800 . 3.800 2.805 2.791 2.817 . 0 0 "[ . 1 . 2]" 1
217 2 24 ASP HA 2 27 LYS H 3.200 . 4.500 3.465 3.242 3.618 . 0 0 "[ . 1 . 2]" 1
218 2 27 LYS H 2 28 SER QB 3.800 . 5.600 4.605 4.389 4.981 . 0 0 "[ . 1 . 2]" 1
219 2 23 ILE HA 2 27 LYS H 4.300 . 6.000 4.311 4.169 4.470 . 0 0 "[ . 1 . 2]" 1
220 2 26 VAL HA 2 27 LYS H 3.700 . 5.400 3.541 3.521 3.557 . 0 0 "[ . 1 . 2]" 1
221 2 26 VAL HB 2 27 LYS H 2.400 . 3.100 2.539 2.400 2.648 . 0 0 "[ . 1 . 2]" 1
222 2 27 LYS H 2 27 LYS HB3 3.200 . 4.400 3.586 3.568 3.598 . 0 0 "[ . 1 . 2]" 1
223 2 27 LYS H 2 27 LYS QD 3.000 . 4.100 3.463 3.190 3.733 . 0 0 "[ . 1 . 2]" 1
224 2 27 LYS H 2 27 LYS QG 2.500 . 3.300 2.241 2.090 2.407 . 0 0 "[ . 1 . 2]" 1
225 2 27 LYS H 2 27 LYS HB2 2.500 . 3.300 2.463 2.363 2.552 . 0 0 "[ . 1 . 2]" 1
226 2 26 VAL MG2 2 27 LYS H 4.200 . 6.000 3.758 3.686 3.803 . 0 0 "[ . 1 . 2]" 1
227 2 23 ILE MG 2 27 LYS H 3.200 . 4.500 3.680 3.388 3.929 . 0 0 "[ . 1 . 2]" 1
228 2 26 VAL MG1 2 27 LYS H 3.300 . 4.600 3.488 3.388 3.569 . 0 0 "[ . 1 . 2]" 1
229 2 27 LYS H 2 28 SER H 2.700 . 3.600 2.684 2.615 2.784 . 0 0 "[ . 1 . 2]" 1
230 2 27 LYS HA 2 28 SER H 3.400 . 4.900 3.535 3.519 3.560 . 0 0 "[ . 1 . 2]" 1
231 2 25 ASN HA 2 28 SER H 3.000 . 4.100 3.393 3.197 3.704 . 0 0 "[ . 1 . 2]" 1
232 2 28 SER H 2 28 SER HA 2.600 . 3.400 2.800 2.790 2.826 . 0 0 "[ . 1 . 2]" 1
233 2 28 SER H 2 28 SER QB 2.300 . 3.000 2.378 2.257 2.511 . 0 0 "[ . 1 . 2]" 1
234 2 26 VAL HA 2 28 SER H 4.400 . 6.000 4.381 4.300 4.542 . 0 0 "[ . 1 . 2]" 1
235 2 24 ASP QB 2 28 SER H 4.800 . 6.000 5.172 4.619 5.440 . 0 0 "[ . 1 . 2]" 1
236 2 27 LYS HB3 2 28 SER H 3.100 . 4.300 3.629 3.432 3.777 . 0 0 "[ . 1 . 2]" 1
237 2 27 LYS QD 2 28 SER H 4.100 . 6.000 4.802 4.722 4.847 . 0 0 "[ . 1 . 2]" 1
238 2 27 LYS QG 2 28 SER H 4.000 . 6.000 4.089 3.967 4.195 . 0 0 "[ . 1 . 2]" 1
239 2 27 LYS HB2 2 28 SER H 3.000 . 4.200 2.650 2.595 2.706 . 0 0 "[ . 1 . 2]" 1
240 2 29 LYS H 2 31 GLN H 3.500 . 5.000 4.096 3.984 4.213 . 0 0 "[ . 1 . 2]" 1
241 2 29 LYS H 2 30 ILE H 2.600 . 3.500 2.700 2.617 2.732 . 0 0 "[ . 1 . 2]" 1
242 2 28 SER H 2 29 LYS H 2.400 . 3.100 2.753 2.635 2.814 . 0 0 "[ . 1 . 2]" 1
243 2 28 SER QB 2 29 LYS H 2.700 . 3.600 2.571 2.356 3.357 . 0 0 "[ . 1 . 2]" 1
244 2 26 VAL HA 2 29 LYS H 3.300 . 4.700 3.553 3.389 3.717 . 0 0 "[ . 1 . 2]" 1
245 2 29 LYS H 2 29 LYS HB2 2.400 . 6.000 2.506 2.373 2.580 . 0 0 "[ . 1 . 2]" 1
246 2 29 LYS H 2 29 LYS HB3 3.300 . 4.700 3.594 3.579 3.599 . 0 0 "[ . 1 . 2]" 1
247 2 29 LYS H 2 29 LYS HG3 2.400 . 3.100 2.206 2.063 2.480 . 0 0 "[ . 1 . 2]" 1
248 2 29 LYS H 2 29 LYS HG2 3.400 . 4.800 3.356 3.151 3.635 . 0 0 "[ . 1 . 2]" 1
249 2 30 ILE H 2 31 GLN H 2.400 . 3.100 2.677 2.608 2.726 . 0 0 "[ . 1 . 2]" 1
250 2 27 LYS HA 2 30 ILE H 3.400 . 4.800 3.446 3.311 3.575 . 0 0 "[ . 1 . 2]" 1
251 2 29 LYS HA 2 30 ILE H 3.400 . 4.800 3.546 3.521 3.559 . 0 0 "[ . 1 . 2]" 1
252 2 30 ILE H 2 30 ILE HA 3.000 . 4.100 2.804 2.794 2.826 . 0 0 "[ . 1 . 2]" 1
253 2 26 VAL HA 2 30 ILE H 4.600 . 6.000 4.185 4.002 4.364 . 0 0 "[ . 1 . 2]" 1
254 2 30 ILE H 2 30 ILE HB 2.400 . 3.100 2.525 2.466 2.572 . 0 0 "[ . 1 . 2]" 1
255 2 29 LYS HB2 2 30 ILE H 2.700 . 3.600 2.529 2.437 2.691 . 0 0 "[ . 1 . 2]" 1
256 2 30 ILE H 2 30 ILE HG13 2.300 . 6.000 2.132 2.061 2.265 . 0 0 "[ . 1 . 2]" 1
257 2 30 ILE H 2 30 ILE MD 3.600 . 5.200 3.596 3.549 3.670 . 0 0 "[ . 1 . 2]" 1
258 2 31 GLN H 2 41 GLN HE21 4.100 . 6.000 4.948 4.430 5.596 . 0 0 "[ . 1 . 2]" 1
259 2 27 LYS HA 2 31 GLN H 4.400 . 6.000 3.988 3.750 4.144 . 0 0 "[ . 1 . 2]" 1
260 2 31 GLN H 2 31 GLN HA 3.000 . 4.100 2.810 2.801 2.829 . 0 0 "[ . 1 . 2]" 1
261 2 30 ILE HA 2 31 GLN H 3.900 . 5.800 3.526 3.505 3.550 . 0 0 "[ . 1 . 2]" 1
262 2 31 GLN H 2 31 GLN HB2 2.600 . 3.500 2.609 2.468 3.570 0.070 7 0 "[ . 1 . 2]" 1
263 2 30 ILE HB 2 31 GLN H 2.700 . 3.600 2.656 2.563 2.747 . 0 0 "[ . 1 . 2]" 1
264 2 31 GLN H 2 31 GLN HB3 2.600 . 3.400 2.482 2.424 2.563 . 0 0 "[ . 1 . 2]" 1
265 2 30 ILE MD 2 31 GLN H 5.500 . 6.000 4.631 4.551 4.709 . 0 0 "[ . 1 . 2]" 1
266 2 30 ILE HG12 2 31 GLN H 3.500 . 5.000 3.383 3.220 3.500 . 0 0 "[ . 1 . 2]" 1
267 2 31 GLN H 2 32 ASP H 2.700 . 3.600 2.681 2.549 2.795 . 0 0 "[ . 1 . 2]" 1
268 2 30 ILE H 2 32 ASP H 3.400 . 4.800 4.226 3.995 4.472 . 0 0 "[ . 1 . 2]" 1
269 2 31 GLN HA 2 32 ASP H 3.600 . 5.200 3.539 3.501 3.568 . 0 0 "[ . 1 . 2]" 1
270 2 30 ILE HA 2 32 ASP H 5.000 . 6.000 4.447 4.243 4.697 . 0 0 "[ . 1 . 2]" 1
271 2 32 ASP H 2 32 ASP HB3 2.600 . 3.400 2.730 2.491 3.531 0.131 15 0 "[ . 1 . 2]" 1
272 2 32 ASP H 2 32 ASP HB2 2.500 . 3.300 2.497 2.306 2.571 . 0 0 "[ . 1 . 2]" 1
273 2 31 GLN HB2 2 32 ASP H 3.000 . 4.100 3.869 3.783 3.935 . 0 0 "[ . 1 . 2]" 1
274 2 31 GLN HG3 2 32 ASP H 3.500 . 5.100 4.527 2.329 4.931 . 0 0 "[ . 1 . 2]" 1
275 2 33 LYS H 2 34 GLU H 2.500 . 3.300 2.839 2.641 3.008 . 0 0 "[ . 1 . 2]" 1
276 2 33 LYS H 2 35 GLY H 3.400 . 4.800 3.891 3.771 4.022 . 0 0 "[ . 1 . 2]" 1
277 2 32 ASP H 2 33 LYS H 2.700 . 3.600 2.718 2.641 2.816 . 0 0 "[ . 1 . 2]" 1
278 2 29 LYS HA 2 33 LYS H 3.700 . 5.400 4.250 4.082 4.359 . 0 0 "[ . 1 . 2]" 1
279 2 31 GLN HA 2 33 LYS H 4.500 . 6.000 4.542 4.346 4.686 . 0 0 "[ . 1 . 2]" 1
280 2 30 ILE HA 2 33 LYS H 3.300 . 4.700 3.534 3.426 3.663 . 0 0 "[ . 1 . 2]" 1
281 2 32 ASP HB3 2 33 LYS H 2.900 . 3.900 2.756 2.419 3.613 . 0 0 "[ . 1 . 2]" 1
282 2 32 ASP HB2 2 33 LYS H 3.200 . 4.500 3.612 2.572 3.906 . 0 0 "[ . 1 . 2]" 1
283 2 33 LYS H 2 33 LYS HB3 2.900 . 3.900 2.861 2.441 3.623 . 0 0 "[ . 1 . 2]" 1
284 2 33 LYS H 2 33 LYS HB2 2.400 . 3.100 2.513 2.413 2.601 . 0 0 "[ . 1 . 2]" 1
285 2 33 LYS H 2 33 LYS QG 3.000 . 4.100 3.536 2.114 4.046 . 0 0 "[ . 1 . 2]" 1
286 2 34 GLU H 2 36 ILE H 4.500 . 6.000 4.598 4.216 4.830 . 0 0 "[ . 1 . 2]" 1
287 2 33 LYS HA 2 34 GLU H 3.800 . 5.600 3.569 3.563 3.581 . 0 0 "[ . 1 . 2]" 1
288 2 34 GLU H 2 35 GLY HA3 4.500 . 6.000 5.187 5.109 5.249 . 0 0 "[ . 1 . 2]" 1
289 2 31 GLN HA 2 34 GLU H 3.900 . 5.800 4.261 4.075 4.414 . 0 0 "[ . 1 . 2]" 1
290 2 30 ILE HA 2 34 GLU H 4.000 . 6.000 3.433 3.187 3.854 . 0 0 "[ . 1 . 2]" 1
291 2 34 GLU H 2 34 GLU HB3 3.600 . 5.300 3.541 2.519 3.617 . 0 0 "[ . 1 . 2]" 1
292 2 34 GLU H 2 34 GLU HG3 3.200 . 4.500 2.983 2.185 4.441 . 0 0 "[ . 1 . 2]" 1
293 2 33 LYS HB2 2 34 GLU H 3.100 . 4.300 3.126 1.957 3.646 . 0 0 "[ . 1 . 2]" 1
294 2 34 GLU H 2 34 GLU HB2 2.500 . 3.300 2.492 2.419 2.632 . 0 0 "[ . 1 . 2]" 1
295 2 30 ILE HG12 2 34 GLU H 3.500 . 5.100 3.388 3.233 3.574 . 0 0 "[ . 1 . 2]" 1
296 2 34 GLU H 2 35 GLY H 2.400 . 3.100 2.648 2.543 2.738 . 0 0 "[ . 1 . 2]" 1
297 2 34 GLU HA 2 35 GLY H 3.600 . 5.200 3.543 3.523 3.566 . 0 0 "[ . 1 . 2]" 1
298 2 35 GLY H 2 35 GLY HA2 2.600 . 3.500 2.346 2.318 2.368 . 0 0 "[ . 1 . 2]" 1
299 2 31 GLN HA 2 35 GLY H 2.600 . 3.500 2.830 2.567 3.079 . 0 0 "[ . 1 . 2]" 1
300 2 35 GLY H 2 35 GLY HA3 2.700 . 3.600 2.913 2.879 2.930 . 0 0 "[ . 1 . 2]" 1
301 2 34 GLU HB3 2 35 GLY H 4.100 . 6.000 3.659 2.560 3.866 . 0 0 "[ . 1 . 2]" 1
302 2 31 GLN HG2 2 35 GLY H 3.900 . 5.800 4.655 4.301 6.061 0.261 13 0 "[ . 1 . 2]" 1
303 2 34 GLU HB2 2 35 GLY H 3.300 . 4.700 2.755 2.566 3.866 . 0 0 "[ . 1 . 2]" 1
304 2 35 GLY H 2 36 ILE HB 4.200 . 6.000 3.889 3.578 4.468 . 0 0 "[ . 1 . 2]" 1
305 2 35 GLY H 2 36 ILE H 2.800 . 3.700 2.418 2.203 2.552 . 0 0 "[ . 1 . 2]" 1
306 2 34 GLU HA 2 36 ILE H 4.800 . 6.000 5.308 4.994 5.582 . 0 0 "[ . 1 . 2]" 1
307 2 36 ILE H 2 36 ILE HA 2.800 . 3.800 2.938 2.922 2.951 . 0 0 "[ . 1 . 2]" 1
308 2 35 GLY HA2 2 36 ILE H 3.100 . 4.300 2.723 2.638 2.881 . 0 0 "[ . 1 . 2]" 1
309 2 35 GLY HA3 2 36 ILE H 3.500 . 5.000 3.546 3.496 3.567 . 0 0 "[ . 1 . 2]" 1
310 2 31 GLN HA 2 36 ILE H 2.400 . 3.100 2.115 1.836 2.341 . 0 0 "[ . 1 . 2]" 1
311 2 36 ILE H 2 37 PRO HD2 5.100 . 6.000 5.054 4.681 5.190 . 0 0 "[ . 1 . 2]" 1
312 2 31 GLN HG2 2 36 ILE H 3.700 . 5.400 4.051 2.900 5.593 0.193 13 0 "[ . 1 . 2]" 1
313 2 34 GLU HB2 2 36 ILE H 3.100 . 4.300 3.440 2.948 5.139 0.839 4 1 "[ +. 1 . 2]" 1
314 2 36 ILE H 2 36 ILE HB 2.200 . 2.800 2.589 2.304 2.733 . 0 0 "[ . 1 . 2]" 1
315 2 36 ILE H 2 36 ILE HG12 3.200 . 4.500 3.752 2.683 4.214 . 0 0 "[ . 1 . 2]" 1
316 2 36 ILE H 2 36 ILE MG 3.500 . 5.100 3.883 3.806 3.914 . 0 0 "[ . 1 . 2]" 1
317 2 36 ILE H 2 36 ILE MD 3.600 . 5.300 4.050 3.499 4.361 . 0 0 "[ . 1 . 2]" 1
318 2 30 ILE MG 2 36 ILE H 3.400 . 4.800 4.114 3.489 4.355 . 0 0 "[ . 1 . 2]" 1
319 2 39 ASP H 2 40 GLN H 2.700 . 3.600 2.737 2.627 2.872 . 0 0 "[ . 1 . 2]" 1
320 2 37 PRO HA 2 39 ASP H 4.700 . 6.000 4.192 4.058 4.310 . 0 0 "[ . 1 . 2]" 1
321 2 39 ASP H 2 39 ASP HA 2.800 . 3.800 2.801 2.772 2.835 . 0 0 "[ . 1 . 2]" 1
322 2 38 PRO HA 2 39 ASP H 3.600 . 5.200 3.561 3.541 3.571 . 0 0 "[ . 1 . 2]" 1
323 2 38 PRO QD 2 39 ASP H 3.100 . 4.300 2.694 2.516 2.968 . 0 0 "[ . 1 . 2]" 1
324 2 39 ASP H 2 39 ASP HB3 3.000 . 4.100 3.080 2.489 3.593 . 0 0 "[ . 1 . 2]" 1
325 2 39 ASP H 2 39 ASP HB2 2.700 . 3.600 2.849 2.495 3.598 . 0 0 "[ . 1 . 2]" 1
326 2 38 PRO HB3 2 39 ASP H 4.000 . 6.000 3.916 3.814 4.064 . 0 0 "[ . 1 . 2]" 1
327 2 38 PRO HG2 2 39 ASP H 3.300 . 4.700 3.367 2.113 4.005 . 0 0 "[ . 1 . 2]" 1
328 2 38 PRO HG3 2 39 ASP H 4.900 . 6.000 4.262 3.720 4.526 . 0 0 "[ . 1 . 2]" 1
329 2 40 GLN H 2 41 GLN H 2.400 . 3.100 2.815 2.615 2.971 . 0 0 "[ . 1 . 2]" 1
330 2 38 PRO HA 2 40 GLN H 3.900 . 5.800 4.563 4.379 4.742 . 0 0 "[ . 1 . 2]" 1
331 2 38 PRO QD 2 40 GLN H 4.600 . 6.000 4.347 4.157 4.585 . 0 0 "[ . 1 . 2]" 1
332 2 37 PRO HD2 2 40 GLN H 4.800 . 6.000 4.933 4.583 5.706 . 0 0 "[ . 1 . 2]" 1
333 2 39 ASP HB3 2 40 GLN H 3.500 . 5.100 3.499 2.522 4.046 . 0 0 "[ . 1 . 2]" 1
334 2 39 ASP HB2 2 40 GLN H 3.800 . 5.600 3.140 2.482 3.889 . 0 0 "[ . 1 . 2]" 1
335 2 37 PRO HG2 2 40 GLN H 3.800 . 5.600 4.231 2.975 4.652 . 0 0 "[ . 1 . 2]" 1
336 2 37 PRO HB2 2 40 GLN H 2.600 . 3.400 2.392 2.159 2.793 . 0 0 "[ . 1 . 2]" 1
337 2 40 GLN H 2 40 GLN HB2 2.400 . 3.100 2.484 2.301 2.568 . 0 0 "[ . 1 . 2]" 1
338 2 40 GLN H 2 41 GLN HG2 4.000 . 6.000 4.555 3.893 5.901 . 0 0 "[ . 1 . 2]" 1
339 2 36 ILE MG 2 40 GLN H 3.900 . 5.800 4.474 4.130 4.741 . 0 0 "[ . 1 . 2]" 1
340 2 50 LEU H 2 51 GLU H 3.700 . 5.500 4.396 3.107 4.590 . 0 0 "[ . 1 . 2]" 1
341 2 51 GLU H 2 59 TYR QE 3.600 . 5.300 3.423 2.679 4.391 . 0 0 "[ . 1 . 2]" 1
342 2 51 GLU H 2 51 GLU HA 3.000 . 4.100 2.806 2.295 2.915 . 0 0 "[ . 1 . 2]" 1
343 2 50 LEU HA 2 51 GLU H 2.300 . 3.000 2.225 2.122 2.913 . 0 0 "[ . 1 . 2]" 1
344 2 51 GLU H 2 51 GLU HG2 3.200 . 4.500 3.309 2.242 4.507 0.007 11 0 "[ . 1 . 2]" 1
345 2 51 GLU H 2 51 GLU HG3 2.900 . 4.000 2.768 2.080 4.106 0.106 11 0 "[ . 1 . 2]" 1
346 2 51 GLU H 2 51 GLU HB3 3.400 . 4.900 3.598 2.854 3.936 . 0 0 "[ . 1 . 2]" 1
347 2 51 GLU H 2 51 GLU HB2 2.500 . 3.300 2.551 2.180 3.403 0.103 19 0 "[ . 1 . 2]" 1
348 2 50 LEU HB3 2 51 GLU H 3.500 . 5.000 3.311 2.865 4.186 . 0 0 "[ . 1 . 2]" 1
349 2 23 ILE HG13 2 51 GLU H 4.400 . 6.000 3.539 3.086 5.040 . 0 0 "[ . 1 . 2]" 1
350 2 50 LEU HB2 2 51 GLU H 3.900 . 5.800 4.237 4.065 4.379 . 0 0 "[ . 1 . 2]" 1
351 2 39 ASP H 2 41 GLN H 3.600 . 5.200 4.462 4.046 4.765 . 0 0 "[ . 1 . 2]" 1
352 2 38 PRO HA 2 41 GLN H 3.500 . 5.100 3.850 3.406 4.166 . 0 0 "[ . 1 . 2]" 1
353 2 41 GLN H 2 41 GLN HA 2.900 . 3.900 2.849 2.814 2.893 . 0 0 "[ . 1 . 2]" 1
354 2 41 GLN H 2 41 GLN HG3 2.900 . 4.000 2.941 2.127 3.336 . 0 0 "[ . 1 . 2]" 1
355 2 41 GLN H 2 41 GLN HB3 2.400 . 3.100 2.873 2.530 3.618 0.518 16 2 "[ . 1 .+ - 2]" 1
356 2 41 GLN H 2 41 GLN HG2 2.700 . 3.600 2.389 1.902 3.530 . 0 0 "[ . 1 . 2]" 1
357 2 36 ILE HB 2 41 GLN H 4.200 . 6.000 5.090 4.662 5.609 . 0 0 "[ . 1 . 2]" 1
358 2 36 ILE MG 2 41 GLN H 3.500 . 5.000 3.140 2.646 3.744 . 0 0 "[ . 1 . 2]" 1
359 2 43 LEU H 2 44 ILE H 4.400 . 6.000 4.546 4.425 4.586 . 0 0 "[ . 1 . 2]" 1
360 2 42 ARG HA 2 43 LEU H 2.300 . 3.000 2.147 2.133 2.186 . 0 0 "[ . 1 . 2]" 1
361 2 27 LYS QE 2 43 LEU H 3.600 . 5.200 3.132 2.347 3.966 . 0 0 "[ . 1 . 2]" 1
362 2 43 LEU H 2 43 LEU HB2 3.000 . 4.100 2.421 2.212 2.652 . 0 0 "[ . 1 . 2]" 1
363 2 43 LEU H 2 43 LEU QD 3.300 . 4.700 3.037 1.893 3.740 0.007 18 0 "[ . 1 . 2]" 1
364 2 43 LEU HA 2 44 ILE H 2.300 . 3.000 2.184 2.111 2.254 . 0 0 "[ . 1 . 2]" 1
365 2 44 ILE H 2 69 LEU HA 3.500 . 5.100 3.828 3.231 4.236 . 0 0 "[ . 1 . 2]" 1
366 2 44 ILE H 2 68 HIS HB2 3.900 . 5.800 3.278 2.736 3.863 . 0 0 "[ . 1 . 2]" 1
367 2 44 ILE H 2 44 ILE HB 2.500 . 3.300 2.766 2.574 2.863 . 0 0 "[ . 1 . 2]" 1
368 2 43 LEU HB3 2 44 ILE H 3.400 . 4.800 3.209 2.797 4.248 . 0 0 "[ . 1 . 2]" 1
369 2 44 ILE H 2 44 ILE HG13 3.300 . 4.600 3.061 2.583 4.024 . 0 0 "[ . 1 . 2]" 1
370 2 43 LEU QD 2 44 ILE H 3.400 . 4.800 3.085 2.384 3.896 . 0 0 "[ . 1 . 2]" 1
371 2 44 ILE H 2 44 ILE MD 3.300 . 4.700 3.580 3.395 3.645 . 0 0 "[ . 1 . 2]" 1
372 2 44 ILE HA 2 45 PHE H 2.200 . 2.800 2.203 2.180 2.225 . 0 0 "[ . 1 . 2]" 1
373 2 45 PHE H 2 49 GLN HA 3.900 . 5.800 3.573 3.154 3.969 . 0 0 "[ . 1 . 2]" 1
374 2 45 PHE H 2 45 PHE HB2 3.200 . 4.500 3.414 3.272 3.485 . 0 0 "[ . 1 . 2]" 1
375 2 45 PHE H 2 45 PHE HB3 2.900 . 3.900 3.000 2.857 3.116 . 0 0 "[ . 1 . 2]" 1
376 2 45 PHE H 2 48 LYS QB 3.600 . 5.300 4.161 3.751 5.133 . 0 0 "[ . 1 . 2]" 1
377 2 44 ILE HB 2 45 PHE H 4.200 . 6.000 3.994 3.920 4.069 . 0 0 "[ . 1 . 2]" 1
378 2 44 ILE HG13 2 45 PHE H 5.200 . 6.000 5.011 4.951 5.284 . 0 0 "[ . 1 . 2]" 1
379 2 44 ILE HG12 2 45 PHE H 5.000 . 6.000 4.294 4.146 5.008 . 0 0 "[ . 1 . 2]" 1
380 2 45 PHE H 2 46 ALA MB 4.400 . 6.000 4.591 4.400 4.709 . 0 0 "[ . 1 . 2]" 1
381 2 44 ILE MG 2 45 PHE H 2.700 . 3.600 2.143 1.884 2.354 . 0 0 "[ . 1 . 2]" 1
382 2 45 PHE H 2 50 LEU QD 3.800 . 5.600 2.987 2.317 3.887 . 0 0 "[ . 1 . 2]" 1
383 2 45 PHE HA 2 46 ALA H 2.600 . 3.400 2.216 2.180 2.270 . 0 0 "[ . 1 . 2]" 1
384 2 44 ILE MG 2 47 GLY H 3.000 . 4.100 3.350 2.963 3.930 . 0 0 "[ . 1 . 2]" 1
385 2 47 GLY H 2 47 GLY HA2 2.300 . 3.000 2.319 2.288 2.831 . 0 0 "[ . 1 . 2]" 1
386 2 47 GLY H 2 47 GLY HA3 2.700 . 3.600 2.801 2.771 2.878 . 0 0 "[ . 1 . 2]" 1
387 2 46 ALA H 2 47 GLY H 3.100 . 4.300 2.831 2.713 3.881 . 0 0 "[ . 1 . 2]" 1
388 2 47 GLY H 2 48 LYS H 2.800 . 3.800 2.721 2.017 3.101 . 0 0 "[ . 1 . 2]" 1
389 2 45 PHE H 2 48 LYS H 2.900 . 3.900 2.698 2.442 3.848 . 0 0 "[ . 1 . 2]" 1
390 2 48 LYS H 2 49 GLN H 3.700 . 5.400 4.194 4.097 4.509 . 0 0 "[ . 1 . 2]" 1
391 2 44 ILE HA 2 48 LYS H 4.300 . 6.000 4.316 4.045 5.679 . 0 0 "[ . 1 . 2]" 1
392 2 48 LYS H 2 48 LYS HA 2.900 . 3.900 2.891 2.840 2.916 . 0 0 "[ . 1 . 2]" 1
393 2 47 GLY HA3 2 48 LYS H 3.500 . 5.000 3.504 2.955 3.550 . 0 0 "[ . 1 . 2]" 1
394 2 47 GLY HA2 2 48 LYS H 3.100 . 4.300 2.901 2.813 3.516 . 0 0 "[ . 1 . 2]" 1
395 2 48 LYS H 2 48 LYS QB 2.600 . 3.400 2.864 2.400 3.345 . 0 0 "[ . 1 . 2]" 1
396 2 48 LYS H 2 48 LYS QG 3.000 . 4.100 3.292 2.464 4.163 0.063 19 0 "[ . 1 . 2]" 1
397 2 44 ILE MG 2 48 LYS H 3.100 . 4.300 2.730 2.345 3.854 . 0 0 "[ . 1 . 2]" 1
398 2 49 GLN H 2 49 GLN HG2 3.300 . 4.600 3.361 2.044 4.604 0.004 12 0 "[ . 1 . 2]" 1
399 2 49 GLN H 2 49 GLN HG3 3.400 . 4.900 3.420 1.953 4.412 . 0 0 "[ . 1 . 2]" 1
400 2 49 GLN H 2 49 GLN HB2 2.700 . 3.600 2.815 2.346 3.611 0.011 10 0 "[ . 1 . 2]" 1
401 2 48 LYS QG 2 49 GLN H 3.900 . 5.800 3.824 2.623 4.642 . 0 0 "[ . 1 . 2]" 1
402 2 44 ILE MD 2 49 GLN H 4.200 . 6.000 3.873 3.385 4.539 . 0 0 "[ . 1 . 2]" 1
403 2 44 ILE HA 2 50 LEU H 3.300 . 4.700 3.018 2.694 3.487 . 0 0 "[ . 1 . 2]" 1
404 2 49 GLN HA 2 50 LEU H 2.300 . 2.900 2.181 2.158 2.236 . 0 0 "[ . 1 . 2]" 1
405 2 49 GLN HG2 2 50 LEU H 3.900 . 5.800 4.935 4.012 5.399 . 0 0 "[ . 1 . 2]" 1
406 2 49 GLN HB3 2 50 LEU H 3.700 . 5.500 3.577 2.920 4.244 . 0 0 "[ . 1 . 2]" 1
407 2 49 GLN HB2 2 50 LEU H 3.900 . 5.800 3.845 3.013 4.235 . 0 0 "[ . 1 . 2]" 1
408 2 50 LEU H 2 50 LEU HB3 2.500 . 3.300 2.934 2.172 3.317 0.017 4 0 "[ . 1 . 2]" 1
409 2 50 LEU H 2 50 LEU HB2 3.100 . 4.300 2.404 2.300 2.587 . 0 0 "[ . 1 . 2]" 1
410 2 44 ILE MG 2 50 LEU H 4.100 . 6.000 4.715 4.235 5.158 . 0 0 "[ . 1 . 2]" 1
411 2 50 LEU H 2 50 LEU QD 3.600 . 5.200 2.266 1.660 3.339 0.340 13 0 "[ . 1 . 2]" 1
412 2 24 ASP H 2 52 ASP H 4.300 . 6.000 5.927 5.516 6.064 0.064 14 0 "[ . 1 . 2]" 1
413 2 51 GLU HA 2 52 ASP H 2.200 . 2.800 2.519 2.147 2.995 0.195 18 0 "[ . 1 . 2]" 1
414 2 52 ASP H 2 52 ASP HB2 2.800 . 3.700 3.014 2.463 3.996 0.296 18 0 "[ . 1 . 2]" 1
415 2 51 GLU HB3 2 52 ASP H 2.800 . 3.800 2.532 1.679 3.288 0.121 4 0 "[ . 1 . 2]" 1
416 2 23 ILE MG 2 52 ASP H 3.800 . 5.600 4.111 3.493 4.566 . 0 0 "[ . 1 . 2]" 1
417 2 24 ASP H 2 54 ARG H 3.000 . 4.100 3.977 3.175 4.179 0.079 9 0 "[ . 1 . 2]" 1
418 2 54 ARG H 2 55 THR H 4.600 . 6.000 4.315 4.240 4.607 . 0 0 "[ . 1 . 2]" 1
419 2 23 ILE H 2 54 ARG H 3.500 . 5.000 2.554 2.042 3.518 . 0 0 "[ . 1 . 2]" 1
420 2 52 ASP H 2 54 ARG H 4.200 . 6.000 4.937 3.993 5.636 . 0 0 "[ . 1 . 2]" 1
421 2 54 ARG H 2 59 TYR QE 3.800 . 5.600 4.886 4.319 5.545 . 0 0 "[ . 1 . 2]" 1
422 2 54 ARG H 2 54 ARG HA 2.900 . 3.900 2.909 2.824 2.941 . 0 0 "[ . 1 . 2]" 1
423 2 52 ASP HA 2 54 ARG H 3.700 . 5.500 4.084 3.500 4.416 . 0 0 "[ . 1 . 2]" 1
424 2 53 GLY QA 2 54 ARG H 2.900 . 4.000 2.698 2.603 2.824 . 0 0 "[ . 1 . 2]" 1
425 2 23 ILE HB 2 54 ARG H 3.300 . 4.700 3.155 2.466 3.417 . 0 0 "[ . 1 . 2]" 1
426 2 54 ARG H 2 54 ARG HB3 2.800 . 3.800 3.823 3.550 3.885 0.085 9 0 "[ . 1 . 2]" 1
427 2 54 ARG H 2 54 ARG HB2 2.800 . 3.800 2.744 2.278 2.875 . 0 0 "[ . 1 . 2]" 1
428 2 23 ILE HG12 2 54 ARG H 2.800 . 3.800 2.776 1.798 3.360 0.002 19 0 "[ . 1 . 2]" 1
429 2 54 ARG H 2 54 ARG HG2 3.000 . 4.100 3.480 3.063 4.759 0.659 2 1 "[ + . 1 . 2]" 1
430 2 23 ILE MG 2 54 ARG H 5.000 . 6.000 4.574 4.084 4.841 . 0 0 "[ . 1 . 2]" 1
431 2 23 ILE MD 2 54 ARG H 5.000 . 6.000 4.341 3.560 4.833 . 0 0 "[ . 1 . 2]" 1
432 2 55 THR H 2 58 ASP H 3.500 . 5.000 4.751 4.295 4.977 . 0 0 "[ . 1 . 2]" 1
433 2 54 ARG HA 2 55 THR H 2.500 . 3.300 2.177 2.145 2.208 . 0 0 "[ . 1 . 2]" 1
434 2 55 THR H 2 55 THR HB 3.900 . 5.800 3.577 2.753 3.630 . 0 0 "[ . 1 . 2]" 1
435 2 55 THR H 2 58 ASP HB3 3.000 . 6.000 5.042 3.868 6.100 0.100 18 0 "[ . 1 . 2]" 1
436 2 54 ARG HB3 2 55 THR H 2.800 . 3.800 3.075 2.929 3.181 . 0 0 "[ . 1 . 2]" 1
437 2 54 ARG HB2 2 55 THR H 3.000 . 4.100 4.116 4.074 4.167 0.067 6 0 "[ . 1 . 2]" 1
438 2 54 ARG HG2 2 55 THR H 4.500 . 6.000 4.848 3.984 5.094 . 0 0 "[ . 1 . 2]" 1
439 2 55 THR H 2 55 THR MG 2.800 . 3.800 2.349 2.085 3.747 . 0 0 "[ . 1 . 2]" 1
440 2 55 THR HA 2 56 LEU H 2.400 . 3.100 2.201 2.159 2.318 . 0 0 "[ . 1 . 2]" 1
441 2 22 THR HA 2 56 LEU H 3.500 . 5.100 3.424 2.713 4.382 . 0 0 "[ . 1 . 2]" 1
442 2 55 THR HB 2 56 LEU H 2.600 . 3.400 3.011 2.788 3.492 0.092 5 0 "[ . 1 . 2]" 1
443 2 56 LEU H 2 56 LEU HA 2.900 . 3.900 2.806 2.782 2.824 . 0 0 "[ . 1 . 2]" 1
444 2 56 LEU H 2 56 LEU HG 2.400 . 3.100 2.214 2.074 2.318 . 0 0 "[ . 1 . 2]" 1
445 2 56 LEU H 2 56 LEU HB3 3.500 . 5.100 3.588 3.580 3.596 . 0 0 "[ . 1 . 2]" 1
446 2 55 THR MG 2 56 LEU H 4.000 . 6.000 3.783 1.991 3.973 0.009 5 0 "[ . 1 . 2]" 1
447 2 56 LEU H 2 56 LEU MD1 3.700 . 5.400 3.636 3.592 3.699 . 0 0 "[ . 1 . 2]" 1
448 2 56 LEU H 2 56 LEU MD2 3.700 . 5.400 3.214 2.998 3.390 . 0 0 "[ . 1 . 2]" 1
449 2 57 SER H 2 58 ASP H 2.800 . 3.800 2.850 2.800 2.921 . 0 0 "[ . 1 . 2]" 1
450 2 57 SER H 2 59 TYR H 4.100 . 6.000 4.081 3.897 4.304 . 0 0 "[ . 1 . 2]" 1
451 2 55 THR HA 2 57 SER H 4.500 . 6.000 3.966 3.740 4.276 . 0 0 "[ . 1 . 2]" 1
452 2 55 THR HB 2 57 SER H 2.800 . 3.800 2.741 2.568 3.211 . 0 0 "[ . 1 . 2]" 1
453 2 20 SER HA 2 57 SER H 3.300 . 4.700 4.029 2.442 4.713 0.013 11 0 "[ . 1 . 2]" 1
454 2 57 SER H 2 57 SER HA 2.900 . 3.900 2.755 2.752 2.760 . 0 0 "[ . 1 . 2]" 1
455 2 56 LEU HA 2 57 SER H 3.200 . 4.500 3.496 3.432 3.526 . 0 0 "[ . 1 . 2]" 1
456 2 57 SER H 2 57 SER HB2 2.600 . 3.400 2.956 2.493 3.594 0.194 11 0 "[ . 1 . 2]" 1
457 2 57 SER H 2 57 SER HB3 2.700 . 3.600 2.748 2.480 3.597 . 0 0 "[ . 1 . 2]" 1
458 2 56 LEU HG 2 57 SER H 4.400 . 6.000 4.365 4.177 4.501 . 0 0 "[ . 1 . 2]" 1
459 2 56 LEU HB3 2 57 SER H 3.700 . 5.400 3.817 3.675 4.007 . 0 0 "[ . 1 . 2]" 1
460 2 55 THR MG 2 57 SER H 4.200 . 6.000 4.211 1.973 4.434 0.027 5 0 "[ . 1 . 2]" 1
461 2 56 LEU MD1 2 57 SER H 4.500 . 6.000 4.680 4.524 4.961 . 0 0 "[ . 1 . 2]" 1
462 2 56 LEU MD2 2 57 SER H 4.600 . 6.000 4.650 4.568 4.720 . 0 0 "[ . 1 . 2]" 1
463 2 58 ASP H 2 59 TYR H 2.700 . 3.600 2.635 2.457 2.777 . 0 0 "[ . 1 . 2]" 1
464 2 55 THR HB 2 58 ASP H 3.300 . 4.600 3.631 2.837 3.941 . 0 0 "[ . 1 . 2]" 1
465 2 56 LEU HA 2 58 ASP H 3.900 . 5.800 4.162 3.950 4.350 . 0 0 "[ . 1 . 2]" 1
466 2 57 SER HB2 2 58 ASP H 3.400 . 4.800 3.550 2.504 3.932 . 0 0 "[ . 1 . 2]" 1
467 2 57 SER HB3 2 58 ASP H 3.400 . 4.800 3.341 2.593 3.976 . 0 0 "[ . 1 . 2]" 1
468 2 58 ASP H 2 58 ASP HB3 2.600 . 3.500 3.018 2.493 3.599 0.099 1 0 "[ . 1 . 2]" 1
469 2 58 ASP H 2 58 ASP HB2 2.800 . 3.800 2.504 2.432 2.600 . 0 0 "[ . 1 . 2]" 1
470 2 56 LEU HB2 2 58 ASP H 4.300 . 6.000 5.238 5.041 5.426 . 0 0 "[ . 1 . 2]" 1
471 2 55 THR MG 2 58 ASP H 4.400 . 6.000 4.582 3.543 4.863 . 0 0 "[ . 1 . 2]" 1
472 2 59 TYR H 2 60 ASN H 2.300 . 3.000 2.542 2.428 2.669 . 0 0 "[ . 1 . 2]" 1
473 2 58 ASP H 2 59 TYR H 2.600 . 3.400 2.725 2.550 2.875 . 0 0 "[ . 1 . 2]" 1
474 2 59 TYR H 2 59 TYR HA 2.900 . 4.000 2.837 2.800 2.864 . 0 0 "[ . 1 . 2]" 1
475 2 56 LEU HA 2 59 TYR H 3.500 . 5.100 3.335 3.056 3.633 . 0 0 "[ . 1 . 2]" 1
476 2 59 TYR H 2 59 TYR HB3 3.700 . 5.400 3.598 3.588 3.614 . 0 0 "[ . 1 . 2]" 1
477 2 58 ASP HB3 2 59 TYR H 2.900 . 4.000 3.027 2.404 3.692 . 0 0 "[ . 1 . 2]" 1
478 2 59 TYR H 2 59 TYR HB2 2.300 . 3.000 2.447 2.400 2.491 . 0 0 "[ . 1 . 2]" 1
479 2 58 ASP HB2 2 59 TYR H 3.700 . 5.400 3.287 2.502 3.923 . 0 0 "[ . 1 . 2]" 1
480 2 59 TYR H 2 61 ILE HG13 4.600 . 6.000 4.385 4.119 4.548 . 0 0 "[ . 1 . 2]" 1
481 2 59 TYR H 2 61 ILE MD 3.400 . 4.900 4.851 4.580 4.920 0.020 17 0 "[ . 1 . 2]" 1
482 2 58 ASP H 2 60 ASN H 3.700 . 5.400 3.958 3.758 4.027 . 0 0 "[ . 1 . 2]" 1
483 2 60 ASN H 2 61 ILE H 2.600 . 3.400 2.659 2.578 2.909 . 0 0 "[ . 1 . 2]" 1
484 2 59 TYR H 2 60 ASN H 2.300 . 3.000 2.517 2.407 2.639 . 0 0 "[ . 1 . 2]" 1
485 2 59 TYR HA 2 60 ASN H 3.300 . 4.700 3.473 3.363 3.493 . 0 0 "[ . 1 . 2]" 1
486 2 60 ASN H 2 60 ASN HA 2.200 . 2.800 2.273 2.269 2.277 . 0 0 "[ . 1 . 2]" 1
487 2 59 TYR HB3 2 60 ASN H 4.900 . 6.000 3.864 3.790 4.087 . 0 0 "[ . 1 . 2]" 1
488 2 60 ASN H 2 60 ASN HB3 3.700 . 5.400 3.910 3.008 4.104 . 0 0 "[ . 1 . 2]" 1
489 2 60 ASN H 2 60 ASN HB2 3.200 . 4.400 3.471 3.128 3.980 . 0 0 "[ . 1 . 2]" 1
490 2 59 TYR HB2 2 60 ASN H 3.500 . 5.000 2.944 2.849 3.290 . 0 0 "[ . 1 . 2]" 1
491 2 60 ASN H 2 61 ILE HB 5.600 . 6.000 5.059 4.920 5.347 . 0 0 "[ . 1 . 2]" 1
492 2 61 ILE H 2 62 GLN H 4.000 . 6.000 4.560 4.493 4.586 . 0 0 "[ . 1 . 2]" 1
493 2 60 ASN HA 2 61 ILE H 2.700 . 3.600 2.725 2.606 2.800 . 0 0 "[ . 1 . 2]" 1
494 2 57 SER HA 2 61 ILE H 3.200 . 4.500 4.455 4.098 4.551 0.051 1 0 "[ . 1 . 2]" 1
495 2 56 LEU HA 2 61 ILE H 4.100 . 6.000 4.702 4.519 4.995 . 0 0 "[ . 1 . 2]" 1
496 2 59 TYR HB3 2 61 ILE H 4.100 . 6.000 3.829 3.611 4.140 . 0 0 "[ . 1 . 2]" 1
497 2 61 ILE H 2 61 ILE HA 2.800 . 3.800 2.820 2.792 2.855 . 0 0 "[ . 1 . 2]" 1
498 2 60 ASN HB2 2 61 ILE H 4.500 . 6.000 4.385 4.227 4.640 . 0 0 "[ . 1 . 2]" 1
499 2 59 TYR HB2 2 61 ILE H 3.700 . 5.500 3.134 2.999 3.388 . 0 0 "[ . 1 . 2]" 1
500 2 61 ILE H 2 61 ILE HB 2.400 . 3.100 2.552 2.510 2.585 . 0 0 "[ . 1 . 2]" 1
501 2 56 LEU HB3 2 61 ILE H 3.400 . 4.900 3.912 3.689 4.234 . 0 0 "[ . 1 . 2]" 1
502 2 61 ILE H 2 61 ILE HG13 2.500 . 3.300 2.050 1.969 2.144 . 0 0 "[ . 1 . 2]" 1
503 2 61 ILE H 2 61 ILE MD 3.600 . 5.200 3.559 3.499 3.636 . 0 0 "[ . 1 . 2]" 1
504 2 62 GLN H 2 63 LYS H 4.600 . 6.000 4.599 4.194 4.638 . 0 0 "[ . 1 . 2]" 1
505 2 62 GLN H 2 62 GLN HA 2.900 . 3.900 2.851 2.827 2.881 . 0 0 "[ . 1 . 2]" 1
506 2 62 GLN H 2 65 SER HB3 3.700 . 5.400 4.318 3.216 5.031 . 0 0 "[ . 1 . 2]" 1
507 2 62 GLN H 2 65 SER HB2 3.500 . 5.100 3.874 3.048 5.015 . 0 0 "[ . 1 . 2]" 1
508 2 61 ILE HA 2 62 GLN H 2.200 . 2.800 2.159 2.141 2.172 . 0 0 "[ . 1 . 2]" 1
509 2 62 GLN H 2 62 GLN HG2 2.800 . 3.800 2.673 1.990 3.954 0.154 8 0 "[ . 1 . 2]" 1
510 2 62 GLN H 2 62 GLN HB3 2.700 . 3.600 2.731 2.186 3.260 . 0 0 "[ . 1 . 2]" 1
511 2 62 GLN H 2 62 GLN HB2 2.600 . 6.000 2.875 2.410 3.634 . 0 0 "[ . 1 . 2]" 1
512 2 61 ILE HB 2 62 GLN H 4.500 . 6.000 4.123 4.056 4.247 . 0 0 "[ . 1 . 2]" 1
513 2 61 ILE HG13 2 62 GLN H 5.000 . 6.000 5.045 5.014 5.080 . 0 0 "[ . 1 . 2]" 1
514 2 3 ILE MD 2 62 GLN H 4.500 . 6.000 5.211 4.632 5.536 . 0 0 "[ . 1 . 2]" 1
515 2 61 ILE MG 2 62 GLN H 2.800 . 3.800 2.370 2.128 2.616 . 0 0 "[ . 1 . 2]" 1
516 2 63 LYS H 2 64 GLU H 4.800 . 6.000 4.600 4.461 4.636 . 0 0 "[ . 1 . 2]" 1
517 2 62 GLN HA 2 63 LYS H 2.500 . 3.300 2.297 2.231 3.041 . 0 0 "[ . 1 . 2]" 1
518 2 63 LYS H 2 63 LYS HA 2.900 . 3.900 2.800 2.757 2.945 . 0 0 "[ . 1 . 2]" 1
519 2 62 GLN HB3 2 63 LYS H 2.500 . 3.300 3.186 1.702 4.072 0.772 11 7 "[ * .*- *1+ * * 2]" 1
520 2 63 LYS H 2 63 LYS HB3 2.700 . 3.600 2.558 2.455 3.147 . 0 0 "[ . 1 . 2]" 1
521 2 63 LYS H 2 63 LYS QD 3.400 . 4.900 4.122 3.718 4.657 . 0 0 "[ . 1 . 2]" 1
522 2 63 LYS H 2 63 LYS QG 2.800 . 3.800 2.848 2.044 3.942 0.142 19 0 "[ . 1 . 2]" 1
523 2 3 ILE HA 2 64 GLU H 3.400 . 4.800 3.274 2.798 3.832 . 0 0 "[ . 1 . 2]" 1
524 2 63 LYS HA 2 64 GLU H 2.300 . 3.000 2.217 2.166 2.260 . 0 0 "[ . 1 . 2]" 1
525 2 64 GLU H 2 64 GLU HA 2.500 . 3.300 2.271 2.266 2.276 . 0 0 "[ . 1 . 2]" 1
526 2 64 GLU H 2 64 GLU HB3 4.300 . 6.000 4.015 2.983 4.091 . 0 0 "[ . 1 . 2]" 1
527 2 64 GLU H 2 64 GLU HB2 3.800 . 5.600 3.589 3.525 3.965 . 0 0 "[ . 1 . 2]" 1
528 2 64 GLU H 2 64 GLU QG 3.100 . 4.300 2.836 2.738 3.293 . 0 0 "[ . 1 . 2]" 1
529 2 63 LYS HB2 2 64 GLU H 3.600 . 5.200 3.381 2.769 4.250 . 0 0 "[ . 1 . 2]" 1
530 2 63 LYS QG 2 64 GLU H 3.800 . 5.600 3.340 2.277 4.045 . 0 0 "[ . 1 . 2]" 1
531 2 3 ILE MG 2 64 GLU H 3.200 . 4.500 2.968 2.381 3.388 . 0 0 "[ . 1 . 2]" 1
532 2 64 GLU H 2 65 SER H 2.800 . 3.800 2.690 2.603 2.928 . 0 0 "[ . 1 . 2]" 1
533 2 4 PHE H 2 65 SER H 4.300 . 6.000 3.665 3.303 4.253 . 0 0 "[ . 1 . 2]" 1
534 2 65 SER H 2 65 SER HA 3.000 . 4.100 2.902 2.870 2.947 . 0 0 "[ . 1 . 2]" 1
535 2 3 ILE HA 2 65 SER H 3.200 . 4.500 2.727 2.303 2.982 . 0 0 "[ . 1 . 2]" 1
536 2 65 SER H 2 65 SER HB3 2.900 . 3.900 2.977 2.457 3.745 . 0 0 "[ . 1 . 2]" 1
537 2 65 SER H 2 65 SER HB2 2.600 . 3.400 2.760 2.395 3.649 0.249 19 0 "[ . 1 . 2]" 1
538 2 64 GLU HA 2 65 SER H 3.000 . 4.100 2.795 2.635 2.871 . 0 0 "[ . 1 . 2]" 1
539 2 64 GLU HB2 2 65 SER H 4.000 . 6.000 4.238 4.149 4.454 . 0 0 "[ . 1 . 2]" 1
540 2 3 ILE HB 2 65 SER H 4.100 . 6.000 3.636 3.043 4.267 . 0 0 "[ . 1 . 2]" 1
541 2 3 ILE MG 2 65 SER H 2.800 . 3.800 2.492 2.026 2.922 . 0 0 "[ . 1 . 2]" 1
542 2 61 ILE MG 2 65 SER H 3.600 . 5.300 3.746 3.401 4.261 . 0 0 "[ . 1 . 2]" 1
543 2 66 THR H 2 67 LEU H 4.400 . 6.000 4.403 4.131 4.572 . 0 0 "[ . 1 . 2]" 1
544 2 65 SER H 2 66 THR H 4.300 . 6.000 4.565 4.452 4.604 . 0 0 "[ . 1 . 2]" 1
545 2 45 PHE QE 2 66 THR H 3.400 . 4.800 4.511 3.722 4.826 0.026 7 0 "[ . 1 . 2]" 1
546 2 65 SER HA 2 66 THR H 2.400 . 3.100 2.214 2.166 2.262 . 0 0 "[ . 1 . 2]" 1
547 2 66 THR H 2 66 THR HB 2.600 . 3.500 2.734 2.470 3.618 0.118 20 0 "[ . 1 . 2]" 1
548 2 65 SER HB3 2 66 THR H 3.000 . 4.100 3.580 2.697 4.120 0.020 13 0 "[ . 1 . 2]" 1
549 2 65 SER HB2 2 66 THR H 3.500 . 5.100 3.880 2.906 4.121 . 0 0 "[ . 1 . 2]" 1
550 2 66 THR H 2 66 THR MG 3.700 . 5.400 3.553 2.483 3.827 . 0 0 "[ . 1 . 2]" 1
551 2 66 THR HA 2 67 LEU H 2.300 . 3.000 2.178 2.142 2.243 . 0 0 "[ . 1 . 2]" 1
552 2 66 THR HB 2 67 LEU H 4.700 . 6.000 4.093 3.137 4.468 . 0 0 "[ . 1 . 2]" 1
553 2 4 PHE HB3 2 67 LEU H 4.100 . 6.000 4.606 3.957 5.043 . 0 0 "[ . 1 . 2]" 1
554 2 67 LEU H 2 67 LEU HG 3.200 . 4.500 3.211 2.290 4.262 . 0 0 "[ . 1 . 2]" 1
555 2 67 LEU H 2 67 LEU QB 2.600 . 3.500 2.477 2.316 2.661 . 0 0 "[ . 1 . 2]" 1
556 2 66 THR MG 2 67 LEU H 3.200 . 4.500 2.956 2.245 4.082 . 0 0 "[ . 1 . 2]" 1
557 2 67 LEU H 2 67 LEU QD 3.100 . 4.300 2.862 2.088 3.445 . 0 0 "[ . 1 . 2]" 1
558 2 67 LEU HA 2 68 HIS H 2.400 . 3.100 2.168 2.132 2.212 . 0 0 "[ . 1 . 2]" 1
559 2 68 HIS H 2 68 HIS HB3 3.700 . 5.400 3.600 3.539 3.634 . 0 0 "[ . 1 . 2]" 1
560 2 68 HIS H 2 68 HIS HB2 2.600 . 3.400 2.419 2.259 2.491 . 0 0 "[ . 1 . 2]" 1
561 2 44 ILE HB 2 68 HIS H 3.300 . 4.700 3.735 3.130 4.106 . 0 0 "[ . 1 . 2]" 1
562 2 67 LEU QB 2 68 HIS H 2.800 . 3.800 3.125 2.969 3.258 . 0 0 "[ . 1 . 2]" 1
563 2 6 LYS H 2 69 LEU H 3.500 . 5.000 4.205 3.524 4.607 . 0 0 "[ . 1 . 2]" 1
564 2 7 THR HA 2 69 LEU H 3.000 . 4.100 3.088 2.250 3.730 . 0 0 "[ . 1 . 2]" 1
565 2 68 HIS HA 2 69 LEU H 2.200 . 2.800 2.184 2.124 2.269 . 0 0 "[ . 1 . 2]" 1
566 2 68 HIS HB3 2 69 LEU H 3.400 . 4.800 3.113 2.700 3.372 . 0 0 "[ . 1 . 2]" 1
567 2 68 HIS HB2 2 69 LEU H 4.300 . 6.000 4.134 3.878 4.343 . 0 0 "[ . 1 . 2]" 1
568 2 69 LEU H 2 69 LEU HB3 2.500 . 3.300 2.639 2.393 2.847 . 0 0 "[ . 1 . 2]" 1
569 2 7 THR MG 2 69 LEU H 4.100 . 6.000 4.537 3.811 5.130 . 0 0 "[ . 1 . 2]" 1
570 2 69 LEU H 2 69 LEU HB2 2.900 . 3.900 2.924 2.518 3.253 . 0 0 "[ . 1 . 2]" 1
571 2 69 LEU H 2 69 LEU QD 3.700 . 5.400 3.763 3.522 3.956 . 0 0 "[ . 1 . 2]" 1
572 2 69 LEU HA 2 70 VAL H 2.300 . 3.000 2.209 2.149 2.280 . 0 0 "[ . 1 . 2]" 1
573 2 70 VAL H 2 70 VAL HB 2.900 . 3.900 2.848 2.663 3.585 . 0 0 "[ . 1 . 2]" 1
574 2 69 LEU HG 2 70 VAL H 3.500 . 5.000 2.887 2.242 4.471 . 0 0 "[ . 1 . 2]" 1
575 2 69 LEU HB2 2 70 VAL H 4.200 . 6.000 4.170 4.000 4.340 . 0 0 "[ . 1 . 2]" 1
576 2 70 VAL H 2 70 VAL QG 3.200 . 4.500 2.728 1.994 3.015 . 0 0 "[ . 1 . 2]" 1
577 2 71 LEU HA 2 72 ARG H 2.200 . 2.800 2.139 2.107 2.165 . 0 0 "[ . 1 . 2]" 1
578 2 40 GLN HA 2 72 ARG H 3.300 . 4.700 3.287 2.469 3.958 . 0 0 "[ . 1 . 2]" 1
579 2 72 ARG H 2 72 ARG HA 2.800 . 3.800 2.836 2.782 2.918 . 0 0 "[ . 1 . 2]" 1
580 2 72 ARG H 2 72 ARG QD 4.900 . 6.000 4.273 1.980 4.712 . 0 0 "[ . 1 . 2]" 1
581 2 40 GLN HB3 2 72 ARG H 3.200 . 4.400 2.798 1.991 3.450 0.009 13 0 "[ . 1 . 2]" 1
582 2 72 ARG H 2 72 ARG HB2 2.700 . 3.600 2.560 2.314 2.761 . 0 0 "[ . 1 . 2]" 1
583 2 71 LEU HB3 2 72 ARG H 3.200 . 4.500 3.279 3.074 3.874 . 0 0 "[ . 1 . 2]" 1
584 2 72 ARG HA 2 73 LEU H 2.300 . 3.000 2.221 2.119 2.718 . 0 0 "[ . 1 . 2]" 1
585 2 72 ARG QD 2 73 LEU H 4.600 . 6.000 4.408 1.991 5.863 0.009 11 0 "[ . 1 . 2]" 1
586 2 73 LEU H 2 73 LEU HB2 2.400 . 6.000 2.944 2.407 4.056 . 0 0 "[ . 1 . 2]" 1
587 2 73 LEU H 2 73 LEU MD1 3.800 . 5.700 3.523 1.882 4.442 0.018 10 0 "[ . 1 . 2]" 1
588 2 73 LEU HA 2 74 ARG H 2.400 . 3.100 2.319 2.142 3.170 0.070 16 0 "[ . 1 . 2]" 1
589 2 74 ARG H 2 74 ARG HB3 3.100 . 4.300 3.454 2.527 4.083 . 0 0 "[ . 1 . 2]" 1
590 2 74 ARG H 2 74 ARG HB2 2.700 . 3.600 3.001 2.467 3.612 0.012 9 0 "[ . 1 . 2]" 1
591 2 73 LEU HB3 2 74 ARG H 3.100 . 4.300 3.343 1.764 4.217 0.136 16 0 "[ . 1 . 2]" 1
592 2 73 LEU MD1 2 74 ARG H 4.100 . 6.000 3.841 2.255 4.984 . 0 0 "[ . 1 . 2]" 1
593 2 74 ARG HA 2 75 GLY H 2.900 . 4.000 2.856 2.163 3.557 . 0 0 "[ . 1 . 2]" 1
594 2 75 GLY H 2 75 GLY HA3 2.900 . 3.900 2.634 2.292 2.881 . 0 0 "[ . 1 . 2]" 1
595 2 74 ARG HB3 2 75 GLY H 4.000 . 6.000 3.375 1.969 4.458 0.031 9 0 "[ . 1 . 2]" 1
596 2 74 ARG HB2 2 75 GLY H 4.000 . 6.000 3.480 1.894 4.291 0.106 14 0 "[ . 1 . 2]" 1
597 2 74 ARG QG 2 75 GLY H 4.100 . 6.000 3.688 1.996 4.696 0.004 14 0 "[ . 1 . 2]" 1
598 2 75 GLY H 2 76 GLY H 3.900 . 5.800 3.449 2.096 4.595 . 0 0 "[ . 1 . 2]" 1
599 2 76 GLY H 2 76 GLY QA 3.400 . 4.800 2.350 2.193 2.503 . 0 0 "[ . 1 . 2]" 1
600 2 75 GLY HA2 2 76 GLY H 3.300 . 4.700 2.851 2.154 3.553 . 0 0 "[ . 1 . 2]" 1
601 2 46 ALA H 2 46 ALA MB 3.300 . 4.700 2.824 2.770 2.921 . 0 0 "[ . 1 . 2]" 1
602 2 46 ALA H 2 46 ALA HA 2.600 . 3.400 2.278 2.272 2.281 . 0 0 "[ . 1 . 2]" 1
603 2 46 ALA HA 2 47 GLY H 2.700 . 3.600 2.855 2.759 3.552 . 0 0 "[ . 1 . 2]" 1
604 2 71 LEU H 2 72 ARG H 4.500 . 6.000 4.503 4.390 4.565 . 0 0 "[ . 1 . 2]" 1
605 2 70 VAL H 2 71 LEU H 4.200 . 6.000 4.155 3.673 4.360 . 0 0 "[ . 1 . 2]" 1
606 2 71 LEU H 2 71 LEU HA 3.000 . 4.100 2.874 2.833 2.925 . 0 0 "[ . 1 . 2]" 1
607 2 70 VAL HA 2 71 LEU H 2.300 . 2.900 2.161 2.126 2.212 . 0 0 "[ . 1 . 2]" 1
608 2 71 LEU H 2 71 LEU HB3 2.600 . 3.500 2.899 2.214 3.348 . 0 0 "[ . 1 . 2]" 1
609 2 71 LEU H 2 71 LEU HB2 2.900 . 3.900 2.498 2.362 3.630 . 0 0 "[ . 1 . 2]" 1
610 2 7 THR HB 2 8 LEU H 2.500 . 3.300 2.534 1.662 3.308 0.038 20 0 "[ . 1 . 2]" 1
611 2 8 LEU H 2 8 LEU MD1 4.300 . 6.000 3.624 1.993 4.289 0.007 20 0 "[ . 1 . 2]" 1
612 2 8 LEU H 2 69 LEU HB3 5.000 . 6.000 3.828 2.030 5.321 . 0 0 "[ . 1 . 2]" 1
613 2 6 LYS H 2 6 LYS HG3 4.000 . 6.000 4.392 2.004 4.796 . 0 0 "[ . 1 . 2]" 1
614 2 6 LYS HB2 2 7 THR H 3.300 . 4.700 3.145 2.729 4.031 . 0 0 "[ . 1 . 2]" 1
615 2 8 LEU HG 2 9 THR H 4.100 . 6.000 4.977 4.274 6.031 0.031 7 0 "[ . 1 . 2]" 1
616 2 11 LYS QD 2 12 THR H 4.400 . 6.000 3.498 2.052 5.091 . 0 0 "[ . 1 . 2]" 1
617 2 22 THR HB 2 23 ILE H 2.500 . 3.300 2.285 1.680 3.441 0.141 1 0 "[ . 1 . 2]" 1
618 2 23 ILE MG 2 24 ASP H 4.800 . 6.000 3.457 3.336 3.589 . 0 0 "[ . 1 . 2]" 1
619 2 22 THR MG 2 24 ASP H 6.000 . 6.000 4.346 2.418 4.541 . 0 0 "[ . 1 . 2]" 1
620 2 26 VAL H 2 27 LYS QG 4.100 . 6.000 4.370 4.171 4.596 . 0 0 "[ . 1 . 2]" 1
621 2 15 LEU MD1 2 16 GLU H 3.200 . 4.500 2.745 2.149 4.790 0.290 3 0 "[ . 1 . 2]" 1
622 2 27 LYS H 2 30 ILE MD 3.700 . 5.400 4.245 3.892 4.512 . 0 0 "[ . 1 . 2]" 1
623 2 27 LYS HA 2 29 LYS H 4.600 . 6.000 4.502 4.389 4.595 . 0 0 "[ . 1 . 2]" 1
624 2 25 ASN HA 2 29 LYS H 4.200 . 6.000 4.345 4.183 4.450 . 0 0 "[ . 1 . 2]" 1
625 2 23 ILE MG 2 51 GLU H 4.400 . 6.000 4.317 3.761 4.942 . 0 0 "[ . 1 . 2]" 1
626 2 44 ILE H 2 44 ILE HG12 3.500 . 5.000 3.990 2.700 4.184 . 0 0 "[ . 1 . 2]" 1
627 2 44 ILE H 2 45 PHE H 4.500 . 6.000 4.363 4.296 4.498 . 0 0 "[ . 1 . 2]" 1
628 2 44 ILE MG 2 46 ALA H 4.700 . 6.000 4.386 4.169 4.637 . 0 0 "[ . 1 . 2]" 1
629 2 45 PHE HA 2 47 GLY H 4.200 . 6.000 3.640 3.489 4.629 . 0 0 "[ . 1 . 2]" 1
630 2 49 GLN HG3 2 50 LEU H 3.900 . 5.800 4.625 2.880 5.483 . 0 0 "[ . 1 . 2]" 1
631 2 49 GLN H 2 49 GLN HB3 2.700 . 3.600 3.175 2.408 3.612 0.012 1 0 "[ . 1 . 2]" 1
632 2 51 GLU HB2 2 54 ARG H 3.500 . 5.000 4.489 3.938 5.686 0.686 11 1 "[ . 1+ . 2]" 1
633 2 59 TYR H 2 60 ASN HA 4.000 . 6.000 4.800 4.687 4.940 . 0 0 "[ . 1 . 2]" 1
634 2 2 GLN H 2 64 GLU H 4.100 . 6.000 3.755 2.963 4.329 . 0 0 "[ . 1 . 2]" 1
635 2 63 LYS QG 2 65 SER H 5.000 . 6.000 5.042 4.549 5.602 . 0 0 "[ . 1 . 2]" 1
636 2 43 LEU QD 2 68 HIS H 4.200 . 6.000 4.308 3.017 5.094 . 0 0 "[ . 1 . 2]" 1
637 2 43 LEU HA 2 68 HIS H 4.500 . 6.000 4.938 4.465 5.773 . 0 0 "[ . 1 . 2]" 1
638 2 42 ARG QB 2 70 VAL H 3.800 . 5.600 3.023 2.507 3.707 . 0 0 "[ . 1 . 2]" 1
639 2 70 VAL H 2 72 ARG H 4.900 . 6.000 6.042 5.970 6.078 0.078 3 0 "[ . 1 . 2]" 1
640 2 73 LEU H 2 73 LEU HA 2.600 . 3.500 2.634 2.267 2.938 . 0 0 "[ . 1 . 2]" 1
641 2 73 LEU H 2 73 LEU MD2 3.500 . 5.100 3.939 2.227 4.949 . 0 0 "[ . 1 . 2]" 1
642 2 27 LYS HA 2 41 GLN HE22 3.600 . 5.200 4.290 2.926 5.208 0.008 16 0 "[ . 1 . 2]" 1
643 2 38 PRO HA 2 41 GLN HE22 4.100 . 6.000 3.866 3.225 4.493 . 0 0 "[ . 1 . 2]" 1
644 2 38 PRO HA 2 41 GLN HE21 3.500 . 5.000 2.891 2.012 5.046 0.046 10 0 "[ . 1 . 2]" 1
645 2 41 GLN HE21 2 41 GLN HG3 3.000 . 4.100 2.965 2.117 3.275 . 0 0 "[ . 1 . 2]" 1
646 2 30 ILE HB 2 41 GLN HE21 4.100 . 6.000 4.330 3.220 4.890 . 0 0 "[ . 1 . 2]" 1
647 2 30 ILE HB 2 41 GLN HE22 2.800 . 3.800 2.928 1.939 3.566 . 0 0 "[ . 1 . 2]" 1
648 2 41 GLN HE22 2 41 GLN HG2 4.100 . 6.000 3.591 3.433 3.955 . 0 0 "[ . 1 . 2]" 1
649 2 41 GLN HE21 2 41 GLN HG2 3.200 . 4.500 2.462 2.113 3.279 . 0 0 "[ . 1 . 2]" 1
650 2 36 ILE HB 2 41 GLN HE22 3.400 . 4.800 3.151 2.396 4.462 . 0 0 "[ . 1 . 2]" 1
651 2 36 ILE HB 2 41 GLN HE21 3.600 . 5.200 3.302 1.987 5.228 0.028 4 0 "[ . 1 . 2]" 1
652 2 36 ILE MG 2 41 GLN HE21 3.500 . 5.100 3.212 2.402 5.058 . 0 0 "[ . 1 . 2]" 1
653 2 30 ILE MG 2 41 GLN HE22 3.200 . 4.400 2.204 1.973 2.774 0.027 10 0 "[ . 1 . 2]" 1
654 2 30 ILE MG 2 41 GLN HE21 4.300 . 6.000 3.553 2.449 4.217 . 0 0 "[ . 1 . 2]" 1
655 2 31 GLN H 2 41 GLN HE22 3.700 . 5.400 3.777 3.213 4.367 . 0 0 "[ . 1 . 2]" 1
656 2 31 GLN HG2 2 32 ASP H 3.300 . 4.600 3.718 2.415 4.621 0.021 18 0 "[ . 1 . 2]" 1
657 2 15 LEU HA 2 17 VAL H 3.600 . 6.000 6.022 5.938 6.119 0.119 5 0 "[ . 1 . 2]" 1
658 2 20 SER HA 2 56 LEU H 3.500 . 5.100 4.495 3.247 5.052 . 0 0 "[ . 1 . 2]" 1
659 2 45 PHE HB2 2 50 LEU QD 3.200 . 4.300 2.645 2.000 3.220 . 0 0 "[ . 1 . 2]" 1
660 2 45 PHE HB3 2 50 LEU QD 2.700 . 3.600 2.249 1.772 2.762 0.128 17 0 "[ . 1 . 2]" 1
661 2 50 LEU HB2 2 50 LEU QD 2.800 . 3.600 2.177 2.045 2.357 . 0 0 "[ . 1 . 2]" 1
662 2 50 LEU MD1 2 50 LEU MD2 2.400 . 3.100 2.008 1.892 2.085 . 0 0 "[ . 1 . 2]" 1
663 2 50 LEU QD 2 59 TYR QE 3.200 . 4.500 2.713 2.097 3.676 . 0 0 "[ . 1 . 2]" 1
664 2 1 MET HG2 2 17 VAL QG 2.800 . 6.000 3.663 2.301 4.704 . 0 0 "[ . 1 . 2]" 1
665 2 1 MET HB2 2 17 VAL QG 2.900 . 6.000 3.637 2.193 4.823 . 0 0 "[ . 1 . 2]" 1
666 2 23 ILE MG 2 52 ASP HA 2.900 . 3.900 2.384 1.922 2.968 . 0 0 "[ . 1 . 2]" 1
667 2 23 ILE MG 2 27 LYS QE 2.600 . 3.400 2.610 1.789 3.361 0.011 15 0 "[ . 1 . 2]" 1
668 2 23 ILE HB 2 23 ILE MG 2.400 . 3.100 2.102 2.083 2.127 . 0 0 "[ . 1 . 2]" 1
669 2 23 ILE MG 2 27 LYS QG 2.800 . 3.800 2.466 2.234 2.702 . 0 0 "[ . 1 . 2]" 1
670 2 23 ILE MG 2 50 LEU HB3 2.600 . 3.500 2.532 1.964 3.342 . 0 0 "[ . 1 . 2]" 1
671 2 23 ILE HG13 2 23 ILE MG 2.500 . 3.300 2.346 2.273 2.445 . 0 0 "[ . 1 . 2]" 1
672 2 36 ILE MG 2 41 GLN HG2 2.700 . 3.600 2.895 2.206 3.290 . 0 0 "[ . 1 . 2]" 1
673 2 13 ILE HB 2 13 ILE MG 2.400 . 3.100 2.099 2.076 2.127 . 0 0 "[ . 1 . 2]" 1
674 2 23 ILE MG 2 27 LYS QD 3.300 . 4.600 3.772 3.325 4.182 . 0 0 "[ . 1 . 2]" 1
675 2 13 ILE MG 2 33 LYS QD 3.100 . 4.300 3.334 2.518 4.349 0.049 14 0 "[ . 1 . 2]" 1
676 2 1 MET ME 2 1 MET HG2 2.700 . 3.600 2.793 2.376 3.399 . 0 0 "[ . 1 . 2]" 1
677 2 1 MET HB3 2 1 MET ME 3.100 . 4.300 3.165 1.795 4.039 0.105 16 0 "[ . 1 . 2]" 1
678 2 1 MET ME 2 1 MET HG3 2.600 . 3.400 2.654 2.391 3.397 . 0 0 "[ . 1 . 2]" 1
679 2 61 ILE HA 2 61 ILE MG 2.700 . 3.600 2.375 2.285 2.473 . 0 0 "[ . 1 . 2]" 1
680 2 1 MET HB2 2 3 ILE MG 2.900 . 4.000 3.419 2.500 4.638 0.638 3 1 "[ + . 1 . 2]" 1
681 2 30 ILE HB 2 30 ILE MG 2.400 . 3.100 2.118 2.091 2.130 . 0 0 "[ . 1 . 2]" 1
682 2 30 ILE HA 2 30 ILE MG 2.700 . 3.600 2.424 2.322 2.496 . 0 0 "[ . 1 . 2]" 1
683 2 30 ILE HG13 2 30 ILE MG 3.500 . 5.000 3.201 3.191 3.207 . 0 0 "[ . 1 . 2]" 1
684 2 61 ILE HG13 2 61 ILE MG 3.300 . 4.700 3.195 3.188 3.206 . 0 0 "[ . 1 . 2]" 1
685 2 61 ILE HB 2 61 ILE MG 2.400 . 3.100 2.101 2.084 2.129 . 0 0 "[ . 1 . 2]" 1
686 2 1 MET ME 2 61 ILE MG 3.300 . 4.600 2.826 2.065 3.619 . 0 0 "[ . 1 . 2]" 1
687 2 46 ALA HA 2 46 ALA MB 2.400 . 3.100 2.097 2.082 2.127 . 0 0 "[ . 1 . 2]" 1
688 2 43 LEU HB2 2 43 LEU HG 2.600 . 3.500 2.592 2.422 3.020 . 0 0 "[ . 1 . 2]" 1
689 2 30 ILE HB 2 30 ILE MD 2.700 . 3.600 2.405 2.328 2.481 . 0 0 "[ . 1 . 2]" 1
690 2 30 ILE MD 2 30 ILE HG13 2.300 . 3.000 2.096 2.075 2.121 . 0 0 "[ . 1 . 2]" 1
691 2 11 LYS HG3 2 13 ILE MD 2.700 . 3.600 3.156 1.894 4.250 0.650 1 1 "[+ . 1 . 2]" 1
692 2 13 ILE MD 2 34 GLU HG3 2.800 . 6.000 4.649 2.849 5.978 . 0 0 "[ . 1 . 2]" 1
693 2 3 ILE MD 2 3 ILE HG13 2.200 . 2.800 2.100 2.077 2.120 . 0 0 "[ . 1 . 2]" 1
694 2 3 ILE HB 2 3 ILE MD 2.500 . 3.300 2.399 2.316 2.500 . 0 0 "[ . 1 . 2]" 1
695 2 11 LYS QD 2 13 ILE MD 3.400 . 4.800 3.551 2.496 4.559 . 0 0 "[ . 1 . 2]" 1
696 2 3 ILE MD 2 15 LEU HB3 3.300 . 4.600 3.626 3.034 4.347 . 0 0 "[ . 1 . 2]" 1
697 2 61 ILE MD 2 61 ILE HG13 2.400 . 3.100 2.099 2.074 2.119 . 0 0 "[ . 1 . 2]" 1
698 2 59 TYR HB2 2 61 ILE MD 2.900 . 3.900 2.945 2.719 3.159 . 0 0 "[ . 1 . 2]" 1
699 2 34 GLU HB3 2 36 ILE MD 3.000 . 4.100 3.041 2.436 3.727 . 0 0 "[ . 1 . 2]" 1
700 2 36 ILE MD 2 36 ILE MG 2.200 . 2.800 2.010 1.763 2.186 . 0 0 "[ . 1 . 2]" 1
701 2 36 ILE MD 2 36 ILE HG12 2.200 . 2.800 2.092 2.070 2.118 . 0 0 "[ . 1 . 2]" 1
702 2 36 ILE HB 2 36 ILE MD 2.300 . 2.900 1.995 1.944 2.092 . 0 0 "[ . 1 . 2]" 1
703 2 13 ILE MD 2 34 GLU HG2 3.100 . 6.000 4.051 1.891 5.854 . 0 0 "[ . 1 . 2]" 1
704 2 55 THR HA 2 55 THR HB 2.800 . 3.700 2.489 2.452 3.008 . 0 0 "[ . 1 . 2]" 1
705 2 3 ILE HA 2 3 ILE HB 2.500 . 3.300 2.474 2.445 2.516 . 0 0 "[ . 1 . 2]" 1
706 2 29 LYS HA 2 32 ASP HB2 3.300 . 4.700 3.450 2.514 4.077 . 0 0 "[ . 1 . 2]" 1
707 2 1 MET ME 2 56 LEU HB3 3.200 . 4.500 3.420 2.654 4.278 . 0 0 "[ . 1 . 2]" 1
708 2 1 MET ME 2 61 ILE HB 3.500 . 5.000 2.390 1.987 3.322 0.013 14 0 "[ . 1 . 2]" 1
709 2 61 ILE HG12 2 61 ILE MG 2.700 . 3.600 2.331 2.279 2.443 . 0 0 "[ . 1 . 2]" 1
710 2 43 LEU HB3 2 43 LEU QD 2.700 . 3.100 2.186 2.073 2.344 . 0 0 "[ . 1 . 2]" 1
711 2 43 LEU HB2 2 43 LEU QD 2.600 . 3.400 2.230 2.069 2.341 . 0 0 "[ . 1 . 2]" 1
712 2 43 LEU QD 2 67 LEU QB 2.700 . 3.600 2.317 1.880 2.964 . 0 0 "[ . 1 . 2]" 1
713 2 50 LEU QD 2 61 ILE MD 3.000 . 4.100 2.625 2.077 3.294 . 0 0 "[ . 1 . 2]" 1
714 2 72 ARG QD 2 72 ARG QG 2.200 . 2.800 2.060 1.998 2.092 . 0 0 "[ . 1 . 2]" 1
715 2 72 ARG HB2 2 72 ARG QD 2.700 . 3.600 2.506 2.337 2.983 . 0 0 "[ . 1 . 2]" 1
716 2 42 ARG QB 2 42 ARG HD3 3.000 . 4.100 2.767 2.337 3.483 . 0 0 "[ . 1 . 2]" 1
717 2 74 ARG HB3 2 74 ARG QD 3.400 . 4.800 2.581 2.311 3.500 . 0 0 "[ . 1 . 2]" 1
718 2 55 THR HB 2 55 THR MG 2.300 . 3.000 2.114 2.089 2.135 . 0 0 "[ . 1 . 2]" 1
719 2 29 LYS HD2 2 29 LYS HE2 2.700 . 3.600 2.675 2.430 3.017 . 0 0 "[ . 1 . 2]" 1
720 2 27 LYS QE 2 27 LYS QG 2.800 . 3.800 2.305 2.140 2.359 . 0 0 "[ . 1 . 2]" 1
721 2 27 LYS QD 2 27 LYS HE2 2.300 . 3.000 2.100 2.032 2.269 . 0 0 "[ . 1 . 2]" 1
722 2 29 LYS HD2 2 29 LYS HE3 3.000 . 4.200 2.549 2.396 3.016 . 0 0 "[ . 1 . 2]" 1
723 2 29 LYS HE3 2 29 LYS HG2 3.200 . 4.500 3.195 2.435 3.751 . 0 0 "[ . 1 . 2]" 1
724 2 29 LYS HD3 2 29 LYS HE3 2.800 . 3.800 2.472 2.362 2.887 . 0 0 "[ . 1 . 2]" 1
725 2 73 LEU HB3 2 73 LEU MD2 2.700 . 3.600 2.294 2.143 2.437 . 0 0 "[ . 1 . 2]" 1
726 2 11 LYS QE 2 11 LYS HG2 2.900 . 3.900 2.556 2.354 3.514 . 0 0 "[ . 1 . 2]" 1
727 2 33 LYS HE2 2 33 LYS QG 2.900 . 3.900 2.823 2.396 3.487 . 0 0 "[ . 1 . 2]" 1
728 2 11 LYS QE 2 13 ILE MD 4.000 . 6.000 2.767 1.979 4.065 0.021 4 0 "[ . 1 . 2]" 1
729 2 63 LYS HB2 2 63 LYS QE 3.900 . 5.800 3.530 1.989 4.205 0.011 3 0 "[ . 1 . 2]" 1
730 2 63 LYS HB3 2 63 LYS QE 3.300 . 4.600 3.406 1.992 4.200 0.008 20 0 "[ . 1 . 2]" 1
731 2 22 THR HB 2 22 THR MG 2.300 . 3.000 2.111 2.089 2.134 . 0 0 "[ . 1 . 2]" 1
732 2 63 LYS QE 2 63 LYS QG 2.600 . 3.400 2.369 2.139 2.799 . 0 0 "[ . 1 . 2]" 1
733 2 44 ILE HB 2 44 ILE MD 2.200 . 2.800 1.980 1.948 2.096 . 0 0 "[ . 1 . 2]" 1
734 2 8 LEU HB3 2 8 LEU MD1 2.900 . 3.900 2.427 2.170 3.202 . 0 0 "[ . 1 . 2]" 1
735 2 8 LEU HB3 2 8 LEU MD2 3.300 . 4.700 2.808 2.285 3.203 . 0 0 "[ . 1 . 2]" 1
736 2 44 ILE HB 2 44 ILE HG13 2.700 . 3.600 2.465 2.406 2.481 . 0 0 "[ . 1 . 2]" 1
737 2 50 LEU HB3 2 50 LEU QD 2.700 . 3.600 2.181 2.068 2.300 . 0 0 "[ . 1 . 2]" 1
738 2 7 THR HA 2 7 THR HB 2.900 . 3.900 2.470 2.445 2.523 . 0 0 "[ . 1 . 2]" 1
739 2 7 THR HB 2 7 THR MG 2.400 . 3.100 2.114 2.090 2.132 . 0 0 "[ . 1 . 2]" 1
740 2 12 THR HB 2 12 THR MG 2.300 . 3.000 2.103 2.090 2.132 . 0 0 "[ . 1 . 2]" 1
741 2 59 TYR HB3 2 59 TYR QD 2.700 . 3.600 2.279 2.273 2.287 . 0 0 "[ . 1 . 2]" 1
742 2 59 TYR HB3 2 61 ILE MD 3.200 . 4.500 3.386 3.055 3.779 . 0 0 "[ . 1 . 2]" 1
743 2 13 ILE HB 2 13 ILE MD 2.600 . 3.400 2.696 2.070 3.238 . 0 0 "[ . 1 . 2]" 1
744 2 30 ILE MG 2 36 ILE HB 2.800 . 3.800 3.640 3.068 3.870 0.070 10 0 "[ . 1 . 2]" 1
745 2 36 ILE HB 2 36 ILE MD 2.700 . 3.600 2.612 2.320 3.234 . 0 0 "[ . 1 . 2]" 1
746 2 36 ILE HB 2 36 ILE MG 2.200 . 2.800 2.109 2.080 2.127 . 0 0 "[ . 1 . 2]" 1
747 2 36 ILE HB 2 36 ILE HG12 2.900 . 4.000 2.879 2.428 3.029 . 0 0 "[ . 1 . 2]" 1
748 2 59 TYR HB2 2 59 TYR QD 2.700 . 3.600 2.670 2.594 2.727 . 0 0 "[ . 1 . 2]" 1
749 2 14 THR HB 2 14 THR MG 2.300 . 3.000 2.124 2.092 2.135 . 0 0 "[ . 1 . 2]" 1
750 2 9 THR HB 2 9 THR MG 2.300 . 3.000 2.117 2.091 2.133 . 0 0 "[ . 1 . 2]" 1
751 2 23 ILE HA 2 23 ILE MD 2.400 . 3.100 2.021 1.829 2.168 . 0 0 "[ . 1 . 2]" 1
752 2 26 VAL HA 2 26 VAL MG1 2.400 . 3.100 2.339 2.276 2.429 . 0 0 "[ . 1 . 2]" 1
753 2 26 VAL HA 2 26 VAL MG2 2.500 . 3.300 2.388 2.312 2.492 . 0 0 "[ . 1 . 2]" 1
754 2 26 VAL HA 2 29 LYS HD3 3.100 . 4.300 3.201 2.715 3.633 . 0 0 "[ . 1 . 2]" 1
755 2 26 VAL HA 2 29 LYS HB2 2.900 . 6.000 3.059 2.790 3.221 . 0 0 "[ . 1 . 2]" 1
756 2 61 ILE HB 2 61 ILE MD 2.400 . 3.100 2.374 2.325 2.503 . 0 0 "[ . 1 . 2]" 1
757 2 61 ILE HB 2 61 ILE HG13 2.700 . 3.600 2.475 2.447 2.490 . 0 0 "[ . 1 . 2]" 1
758 2 30 ILE HA 2 30 ILE HG12 2.200 . 2.800 2.193 2.144 2.231 . 0 0 "[ . 1 . 2]" 1
759 2 27 LYS HB2 2 38 PRO HA 3.400 . 4.800 4.568 4.045 4.834 0.034 2 0 "[ . 1 . 2]" 1
760 2 38 PRO HA 2 38 PRO HB3 2.500 . 3.300 2.287 2.275 2.300 . 0 0 "[ . 1 . 2]" 1
761 2 38 PRO HA 2 41 GLN HG3 3.100 . 4.300 3.165 2.551 4.027 . 0 0 "[ . 1 . 2]" 1
762 2 30 ILE HA 2 33 LYS HB2 3.000 . 4.100 3.721 2.762 4.133 0.033 10 0 "[ . 1 . 2]" 1
763 2 30 ILE HA 2 30 ILE MD 3.500 . 5.100 3.822 3.805 3.838 . 0 0 "[ . 1 . 2]" 1
764 2 18 GLU HB2 2 18 GLU HG2 2.500 . 3.300 2.701 2.419 3.011 . 0 0 "[ . 1 . 2]" 1
765 2 6 LYS HB3 2 66 THR MG 3.700 . 5.400 2.972 2.151 4.703 . 0 0 "[ . 1 . 2]" 1
766 2 61 ILE MG 2 65 SER HB3 3.100 . 4.300 2.676 2.108 3.535 . 0 0 "[ . 1 . 2]" 1
767 2 61 ILE MG 2 65 SER HB2 2.600 . 3.500 2.554 2.116 3.483 . 0 0 "[ . 1 . 2]" 1
768 2 23 ILE HB 2 23 ILE HG13 2.800 . 3.800 2.453 2.440 2.464 . 0 0 "[ . 1 . 2]" 1
769 2 40 GLN HA 2 40 GLN QG 2.900 . 4.000 2.658 2.407 2.984 . 0 0 "[ . 1 . 2]" 1
770 2 23 ILE HB 2 52 ASP HA 2.500 . 3.300 2.042 1.683 2.628 0.017 11 0 "[ . 1 . 2]" 1
771 2 2 GLN HG2 2 14 THR MG 3.400 . 4.800 3.869 2.612 4.949 0.149 4 0 "[ . 1 . 2]" 1
772 2 2 GLN HG3 2 14 THR MG 3.400 . 4.900 3.930 2.149 4.851 . 0 0 "[ . 1 . 2]" 1
773 2 5 VAL HB 2 5 VAL QG 2.000 . 2.500 1.880 1.868 1.891 . 0 0 "[ . 1 . 2]" 1
774 2 33 LYS HB3 2 33 LYS QG 2.300 . 3.000 2.307 2.160 2.452 . 0 0 "[ . 1 . 2]" 1
775 2 33 LYS HB3 2 33 LYS QD 3.000 . 4.100 2.691 2.291 3.498 . 0 0 "[ . 1 . 2]" 1
776 2 40 GLN HB2 2 40 GLN QG 2.200 . 2.800 2.300 2.159 2.375 . 0 0 "[ . 1 . 2]" 1
777 2 13 ILE MD 2 13 ILE MG 2.300 . 2.900 2.007 1.732 3.127 0.227 4 0 "[ . 1 . 2]" 1
778 2 66 THR HB 2 66 THR MG 2.200 . 2.800 2.109 2.091 2.134 . 0 0 "[ . 1 . 2]" 1
779 2 9 THR HA 2 9 THR HB 2.600 . 3.400 2.539 2.394 3.025 . 0 0 "[ . 1 . 2]" 1
780 2 64 GLU HB3 2 64 GLU QG 2.300 . 3.000 2.343 2.328 2.356 . 0 0 "[ . 1 . 2]" 1
781 2 64 GLU HB2 2 64 GLU QG 2.100 . 2.600 2.297 2.159 2.353 . 0 0 "[ . 1 . 2]" 1
782 2 51 GLU HB2 2 51 GLU HG2 2.900 . 4.000 2.865 2.416 3.013 . 0 0 "[ . 1 . 2]" 1
783 2 16 GLU HB2 2 16 GLU HG3 2.300 . 2.900 2.606 2.253 3.011 0.111 6 0 "[ . 1 . 2]" 1
784 2 6 LYS HB2 2 6 LYS HG3 2.200 . 2.800 2.510 2.362 3.011 0.211 13 0 "[ . 1 . 2]" 1
785 2 48 LYS QB 2 48 LYS QG 2.200 . 2.800 2.082 2.002 2.088 . 0 0 "[ . 1 . 2]" 1
786 2 34 GLU HB2 2 34 GLU HG2 2.600 . 3.400 2.734 2.438 3.012 . 0 0 "[ . 1 . 2]" 1
787 2 34 GLU HB2 2 34 GLU HG3 2.300 . 2.900 2.444 2.383 3.004 0.104 4 0 "[ . 1 . 2]" 1
788 2 11 LYS HB3 2 11 LYS HG3 3.000 . 4.100 2.711 2.449 3.013 . 0 0 "[ . 1 . 2]" 1
789 2 63 LYS HB3 2 63 LYS QG 2.500 . 3.300 2.341 2.327 2.365 . 0 0 "[ . 1 . 2]" 1
790 2 63 LYS HB3 2 63 LYS QD 2.400 . 3.100 2.544 2.365 2.919 . 0 0 "[ . 1 . 2]" 1
791 2 23 ILE HA 2 23 ILE MG 2.500 . 3.300 2.387 2.274 2.505 . 0 0 "[ . 1 . 2]" 1
792 2 23 ILE HA 2 26 VAL MG2 2.800 . 3.800 2.368 1.975 2.862 . 0 0 "[ . 1 . 2]" 1
793 2 23 ILE HA 2 26 VAL HB 2.500 . 3.300 2.898 2.640 3.176 . 0 0 "[ . 1 . 2]" 1
794 2 30 ILE MG 2 34 GLU HB2 2.500 . 3.300 2.683 2.372 3.303 0.003 9 0 "[ . 1 . 2]" 1
795 2 29 LYS HB2 2 29 LYS HD3 2.100 . 2.600 2.297 2.173 2.421 . 0 0 "[ . 1 . 2]" 1
796 2 1 MET HA 2 1 MET HB2 2.700 . 3.600 2.485 2.358 3.023 . 0 0 "[ . 1 . 2]" 1
797 2 66 THR HA 2 66 THR MG 2.600 . 3.500 2.347 2.285 2.433 . 0 0 "[ . 1 . 2]" 1
798 2 12 THR HA 2 12 THR MG 2.500 . 3.300 2.343 2.202 3.194 . 0 0 "[ . 1 . 2]" 1
799 2 14 THR HA 2 14 THR MG 2.600 . 3.400 2.346 2.239 2.421 . 0 0 "[ . 1 . 2]" 1
800 2 4 PHE HB3 2 66 THR HA 2.800 . 3.800 3.514 2.615 4.089 0.289 14 0 "[ . 1 . 2]" 1
801 2 61 ILE HA 2 61 ILE HG13 2.900 . 3.900 3.039 3.004 3.075 . 0 0 "[ . 1 . 2]" 1
802 2 61 ILE HA 2 61 ILE HG12 2.600 . 3.400 2.541 2.489 2.570 . 0 0 "[ . 1 . 2]" 1
803 2 54 ARG HB3 2 59 TYR QE 2.700 . 3.600 2.003 1.783 2.514 0.017 15 0 "[ . 1 . 2]" 1
804 2 54 ARG HB2 2 59 TYR QE 3.200 . 4.500 2.478 1.990 3.236 . 0 0 "[ . 1 . 2]" 1
805 2 37 PRO HA 2 38 PRO QD 2.300 . 2.900 1.895 1.834 1.969 . 0 0 "[ . 1 . 2]" 1
806 2 6 LYS HA 2 12 THR HA 2.500 . 3.300 2.366 1.954 2.819 . 0 0 "[ . 1 . 2]" 1
807 2 19 SER HA 2 56 LEU HB2 2.600 . 3.500 2.288 1.686 3.516 0.016 9 0 "[ . 1 . 2]" 1
808 2 18 GLU HB2 2 18 GLU HG3 2.500 . 3.300 2.423 2.392 2.444 . 0 0 "[ . 1 . 2]" 1
809 2 9 THR HA 2 9 THR MG 2.600 . 3.400 2.530 2.223 3.208 . 0 0 "[ . 1 . 2]" 1
810 2 37 PRO HA 2 37 PRO HB3 2.500 . 3.300 2.294 2.266 2.311 . 0 0 "[ . 1 . 2]" 1
811 2 37 PRO HA 2 37 PRO HG3 3.100 . 4.300 3.186 2.943 3.990 . 0 0 "[ . 1 . 2]" 1
812 2 30 ILE MD 2 30 ILE HG12 2.200 . 2.800 2.095 2.073 2.119 . 0 0 "[ . 1 . 2]" 1
813 2 72 ARG HB3 2 72 ARG QD 3.100 . 4.300 2.712 2.352 3.502 . 0 0 "[ . 1 . 2]" 1
814 2 70 VAL HA 2 70 VAL QG 2.500 . 3.300 2.119 2.052 2.450 . 0 0 "[ . 1 . 2]" 1
815 2 5 VAL HA 2 5 VAL QG 2.200 . 2.800 2.103 2.056 2.181 . 0 0 "[ . 1 . 2]" 1
816 2 1 MET HG3 2 17 VAL QG 2.600 . 6.000 4.029 2.674 5.768 . 0 0 "[ . 1 . 2]" 1
817 2 1 MET HB3 2 1 MET HG3 2.300 . 3.000 2.894 2.364 3.010 0.010 12 0 "[ . 1 . 2]" 1
818 2 30 ILE HA 2 30 ILE HG13 3.100 . 4.300 2.996 2.946 3.040 . 0 0 "[ . 1 . 2]" 1
819 2 5 VAL HA 2 67 LEU QB 3.000 . 4.100 2.739 2.298 3.247 . 0 0 "[ . 1 . 2]" 1
820 2 7 THR HA 2 7 THR MG 2.600 . 3.500 2.309 2.174 2.421 . 0 0 "[ . 1 . 2]" 1
821 2 13 ILE HA 2 13 ILE MG 2.600 . 3.400 2.368 2.248 2.555 . 0 0 "[ . 1 . 2]" 1
822 2 3 ILE HA 2 3 ILE MG 2.500 . 3.300 2.269 2.144 2.417 . 0 0 "[ . 1 . 2]" 1
823 2 55 THR HA 2 55 THR MG 2.600 . 3.400 2.312 2.139 2.421 . 0 0 "[ . 1 . 2]" 1
824 2 13 ILE HA 2 13 ILE HG12 3.100 . 4.300 2.719 2.351 3.543 . 0 0 "[ . 1 . 2]" 1
825 2 13 ILE HA 2 13 ILE HB 3.000 . 4.100 3.015 3.003 3.021 . 0 0 "[ . 1 . 2]" 1
826 2 29 LYS HA 2 29 LYS HG2 2.600 . 3.400 2.536 2.443 2.588 . 0 0 "[ . 1 . 2]" 1
827 2 29 LYS HA 2 29 LYS HG3 2.700 . 3.600 3.116 2.985 3.231 . 0 0 "[ . 1 . 2]" 1
828 2 13 ILE HA 2 13 ILE HG13 2.900 . 4.000 3.206 2.343 3.733 . 0 0 "[ . 1 . 2]" 1
829 2 31 GLN HA 2 31 GLN HG3 3.100 . 4.300 2.801 2.576 3.693 . 0 0 "[ . 1 . 2]" 1
830 2 29 LYS HA 2 29 LYS HB3 2.500 . 3.300 2.478 2.436 2.553 . 0 0 "[ . 1 . 2]" 1
831 2 31 GLN HA 2 31 GLN HB3 2.800 . 3.800 2.999 2.503 3.026 . 0 0 "[ . 1 . 2]" 1
832 2 22 THR HA 2 22 THR MG 2.500 . 3.300 2.391 2.272 3.193 . 0 0 "[ . 1 . 2]" 1
833 2 7 THR HA 2 69 LEU HB3 2.900 . 3.900 2.230 1.820 3.171 0.080 12 0 "[ . 1 . 2]" 1
834 2 22 THR MG 2 55 THR HA 3.300 . 4.600 3.038 2.311 4.624 0.024 1 0 "[ . 1 . 2]" 1
835 2 26 VAL HB 2 26 VAL MG2 2.400 . 3.100 2.107 2.085 2.130 . 0 0 "[ . 1 . 2]" 1
836 2 6 LYS QD 2 66 THR MG 3.000 . 4.100 2.872 2.131 4.056 . 0 0 "[ . 1 . 2]" 1
837 2 26 VAL HA 2 29 LYS HD2 3.200 . 4.500 3.371 2.557 4.404 . 0 0 "[ . 1 . 2]" 1
838 2 29 LYS HA 2 32 ASP HB3 2.900 . 4.000 3.276 2.668 4.652 0.652 12 3 "[- . 1 + * 2]" 1
839 2 29 LYS HD3 2 29 LYS HE2 3.000 . 4.100 2.674 2.424 3.017 . 0 0 "[ . 1 . 2]" 1
840 2 22 THR HA 2 55 THR HA 2.400 . 3.100 2.214 1.684 3.076 0.016 20 0 "[ . 1 . 2]" 1
841 2 27 LYS HA 2 30 ILE MD 2.800 . 3.800 2.671 2.091 3.206 . 0 0 "[ . 1 . 2]" 1
842 2 27 LYS HA 2 27 LYS HB2 2.600 . 3.400 3.021 3.011 3.026 . 0 0 "[ . 1 . 2]" 1
843 2 27 LYS HA 2 30 ILE HB 2.700 . 3.600 2.615 2.399 2.765 . 0 0 "[ . 1 . 2]" 1
844 2 22 THR HA 2 55 THR MG 2.900 . 4.000 3.402 3.075 3.822 . 0 0 "[ . 1 . 2]" 1
845 2 49 GLN HB2 2 49 GLN HG2 2.200 . 2.800 2.497 2.420 2.586 . 0 0 "[ . 1 . 2]" 1
846 2 11 LYS QD 2 11 LYS HG2 1.900 . 2.300 2.338 2.171 2.372 0.072 2 0 "[ . 1 . 2]" 1
847 2 56 LEU HA 2 61 ILE MD 2.900 . 3.900 3.267 2.803 3.457 . 0 0 "[ . 1 . 2]" 1
848 2 56 LEU HA 2 56 LEU HB3 2.500 . 3.300 2.467 2.429 2.498 . 0 0 "[ . 1 . 2]" 1
849 2 33 LYS HA 2 33 LYS QG 2.800 . 3.800 2.602 2.365 2.996 . 0 0 "[ . 1 . 2]" 1
850 2 44 ILE HA 2 44 ILE MG 2.500 . 3.300 2.371 2.277 2.442 . 0 0 "[ . 1 . 2]" 1
851 2 44 ILE HA 2 44 ILE HG13 3.200 . 4.500 3.079 3.003 3.793 . 0 0 "[ . 1 . 2]" 1
852 2 17 VAL HA 2 17 VAL QG 2.300 . 2.900 2.219 2.041 2.318 . 0 0 "[ . 1 . 2]" 1
853 2 17 VAL HA 2 17 VAL HB 2.400 . 3.100 2.520 2.448 2.994 . 0 0 "[ . 1 . 2]" 1
854 2 6 LYS HB2 2 6 LYS HD2 2.300 . 3.000 2.204 2.124 2.367 . 0 0 "[ . 1 . 2]" 1
855 2 33 LYS HA 2 33 LYS QD 3.400 . 4.800 3.229 2.032 4.225 . 0 0 "[ . 1 . 2]" 1
856 2 33 LYS HA 2 33 LYS HB3 2.600 . 3.400 2.861 2.439 3.023 . 0 0 "[ . 1 . 2]" 1
857 2 33 LYS HA 2 33 LYS HB2 2.700 . 3.600 2.644 2.431 3.021 . 0 0 "[ . 1 . 2]" 1
858 2 64 GLU HA 2 64 GLU QG 2.500 . 3.300 2.605 2.412 3.348 0.048 7 0 "[ . 1 . 2]" 1
859 2 64 GLU HA 2 64 GLU HB3 2.600 . 3.500 2.471 2.432 2.495 . 0 0 "[ . 1 . 2]" 1
860 2 37 PRO HB3 2 37 PRO HG2 2.800 . 3.800 2.729 2.654 2.992 . 0 0 "[ . 1 . 2]" 1
861 2 37 PRO HB3 2 37 PRO HG3 2.500 . 3.300 2.317 2.300 2.326 . 0 0 "[ . 1 . 2]" 1
862 2 59 TYR HA 2 59 TYR HB3 2.800 . 3.800 2.502 2.472 2.520 . 0 0 "[ . 1 . 2]" 1
863 2 36 ILE HA 2 36 ILE MG 2.600 . 3.400 2.391 2.237 2.495 . 0 0 "[ . 1 . 2]" 1
864 2 63 LYS HA 2 63 LYS HB2 2.500 . 3.300 2.456 2.417 2.507 . 0 0 "[ . 1 . 2]" 1
865 2 63 LYS HA 2 63 LYS HB3 2.300 . 3.000 2.675 2.416 3.025 0.025 5 0 "[ . 1 . 2]" 1
866 2 23 ILE HG12 2 23 ILE MG 3.300 . 4.600 3.196 3.186 3.207 . 0 0 "[ . 1 . 2]" 1
867 2 23 ILE HB 2 23 ILE HG12 2.600 . 3.400 2.458 2.447 2.471 . 0 0 "[ . 1 . 2]" 1
868 2 71 LEU QD 2 71 LEU HG 2.500 . 3.300 1.874 1.857 1.890 0.043 10 0 "[ . 1 . 2]" 1
869 2 3 ILE HA 2 64 GLU HA 2.900 . 4.000 2.625 2.064 3.219 . 0 0 "[ . 1 . 2]" 1
870 2 36 ILE HA 2 36 ILE MD 4.400 . 6.000 3.386 1.998 3.847 0.002 5 0 "[ . 1 . 2]" 1
871 2 36 ILE HA 2 36 ILE HB 2.800 . 3.800 2.742 2.670 2.908 . 0 0 "[ . 1 . 2]" 1
872 2 36 ILE HA 2 36 ILE HG12 2.900 . 3.900 2.690 2.479 3.259 . 0 0 "[ . 1 . 2]" 1
873 2 36 ILE HA 2 37 PRO HD2 2.600 . 3.500 2.464 1.980 2.622 . 0 0 "[ . 1 . 2]" 1
874 2 3 ILE MG 2 63 LYS HA 3.100 . 4.300 3.442 2.808 3.987 . 0 0 "[ . 1 . 2]" 1
875 2 63 LYS HA 2 63 LYS QG 3.100 . 4.300 2.980 2.387 3.346 . 0 0 "[ . 1 . 2]" 1
876 2 1 MET ME 2 63 LYS HA 3.500 . 5.000 3.388 2.268 4.546 . 0 0 "[ . 1 . 2]" 1
877 2 58 ASP HA 2 58 ASP HB2 2.500 . 3.300 2.714 2.444 3.027 . 0 0 "[ . 1 . 2]" 1
878 2 32 ASP HA 2 32 ASP HB3 2.700 . 3.600 2.921 2.462 3.027 . 0 0 "[ . 1 . 2]" 1
879 2 20 SER HA 2 20 SER HB3 2.600 . 3.400 2.605 2.446 3.029 . 0 0 "[ . 1 . 2]" 1
880 2 20 SER HA 2 20 SER HB2 2.500 . 3.300 2.771 2.437 3.029 . 0 0 "[ . 1 . 2]" 1
881 2 72 ARG QD 2 72 ARG HG2 2.600 . 3.500 2.319 2.171 2.360 . 0 0 "[ . 1 . 2]" 1
882 2 54 ARG HB3 2 54 ARG HG3 2.600 . 3.400 2.546 2.418 3.011 . 0 0 "[ . 1 . 2]" 1
883 2 54 ARG HB2 2 54 ARG HG3 2.500 . 3.300 2.465 2.330 3.011 . 0 0 "[ . 1 . 2]" 1
884 2 24 ASP HA 2 24 ASP QB 2.400 . 3.100 2.360 2.181 2.407 . 0 0 "[ . 1 . 2]" 1
885 2 8 LEU HA 2 8 LEU MD2 2.600 . 3.400 2.419 1.864 3.828 0.428 20 0 "[ . 1 . 2]" 1
886 2 20 SER HA 2 55 THR MG 2.900 . 4.000 3.350 2.027 3.874 . 0 0 "[ . 1 . 2]" 1
887 2 69 LEU HB3 2 69 LEU HG 2.400 . 3.100 2.826 2.421 3.017 . 0 0 "[ . 1 . 2]" 1
888 2 13 ILE MD 2 13 ILE HG12 1.900 . 2.400 2.093 2.067 2.116 . 0 0 "[ . 1 . 2]" 1
889 2 15 LEU MD2 2 15 LEU HG 2.100 . 2.600 2.100 2.079 2.124 . 0 0 "[ . 1 . 2]" 1
890 2 8 LEU HA 2 8 LEU HB2 2.600 . 3.400 2.891 2.523 3.018 . 0 0 "[ . 1 . 2]" 1
891 2 8 LEU HA 2 8 LEU HB3 2.500 . 3.300 2.655 2.481 3.019 . 0 0 "[ . 1 . 2]" 1
892 2 15 LEU MD2 2 29 LYS HB2 3.200 . 4.500 3.297 2.598 3.978 . 0 0 "[ . 1 . 2]" 1
893 2 15 LEU MD2 2 30 ILE HG13 2.800 . 3.800 3.296 2.105 4.016 0.216 3 0 "[ . 1 . 2]" 1
894 2 15 LEU MD2 2 29 LYS HB3 3.200 . 4.500 3.068 1.911 4.269 . 0 0 "[ . 1 . 2]" 1
895 2 13 ILE HB 2 13 ILE HG13 3.000 . 4.100 2.479 2.431 2.983 . 0 0 "[ . 1 . 2]" 1
896 2 68 HIS HA 2 68 HIS HB3 2.600 . 3.400 2.505 2.463 2.597 . 0 0 "[ . 1 . 2]" 1
897 2 43 LEU QD 2 43 LEU HG . . 2.200 1.877 1.859 1.890 . 0 0 "[ . 1 . 2]" 1
898 2 56 LEU MD1 2 61 ILE MD 2.300 . 3.000 2.952 2.239 3.863 0.863 15 1 "[ . 1 + 2]" 1
899 2 56 LEU HB3 2 56 LEU MD1 2.400 . 3.100 2.359 2.231 2.440 . 0 0 "[ . 1 . 2]" 1
900 2 27 LYS QE 2 43 LEU QD 3.000 . 4.100 2.074 1.804 3.059 0.096 5 0 "[ . 1 . 2]" 1
901 2 44 ILE MG 2 45 PHE HA 3.100 . 4.300 3.273 3.133 3.497 . 0 0 "[ . 1 . 2]" 1
902 2 8 LEU HA 2 8 LEU MD1 3.300 . 4.600 2.925 1.805 3.870 0.195 17 0 "[ . 1 . 2]" 1
903 2 11 LYS HA 2 11 LYS HB2 2.400 . 3.100 2.479 2.412 2.514 . 0 0 "[ . 1 . 2]" 1
904 2 36 ILE MD 2 36 ILE HG13 2.000 . 2.500 2.094 2.073 2.119 . 0 0 "[ . 1 . 2]" 1
905 2 56 LEU HB2 2 56 LEU MD1 2.900 . 4.000 2.311 2.213 2.437 . 0 0 "[ . 1 . 2]" 1
906 2 19 SER HA 2 56 LEU MD1 3.800 . 5.700 2.710 1.983 4.216 . 0 0 "[ . 1 . 2]" 1
907 2 11 LYS HA 2 11 LYS HG3 3.200 . 4.500 2.815 2.510 3.106 . 0 0 "[ . 1 . 2]" 1
908 2 51 GLU HA 2 51 GLU HB2 2.900 . 4.000 3.001 2.650 3.025 . 0 0 "[ . 1 . 2]" 1
909 2 51 GLU HA 2 51 GLU HB3 2.500 . 3.300 2.494 2.432 2.977 . 0 0 "[ . 1 . 2]" 1
910 2 51 GLU HA 2 51 GLU HG3 2.700 . 3.600 3.165 2.410 3.703 0.103 18 0 "[ . 1 . 2]" 1
911 2 51 GLU HA 2 51 GLU HG2 2.500 . 3.300 2.726 2.533 3.669 0.369 4 0 "[ . 1 . 2]" 1
912 2 25 ASN HA 2 25 ASN HB3 2.900 . 3.900 2.900 2.488 3.031 . 0 0 "[ . 1 . 2]" 1
913 2 43 LEU HB2 2 50 LEU QD 2.900 . 4.000 2.834 2.242 4.148 0.148 17 0 "[ . 1 . 2]" 1
914 2 50 LEU QD 2 67 LEU HG 3.600 . 5.200 4.054 2.540 5.013 . 0 0 "[ . 1 . 2]" 1
915 2 29 LYS HD2 2 29 LYS HG3 2.200 . 2.800 2.450 2.362 3.019 0.219 7 0 "[ . 1 . 2]" 1
916 2 39 ASP HA 2 39 ASP HB2 2.500 . 3.300 2.750 2.445 3.028 . 0 0 "[ . 1 . 2]" 1
917 2 39 ASP HA 2 39 ASP HB3 2.500 . 3.300 2.567 2.393 3.028 . 0 0 "[ . 1 . 2]" 1
918 2 25 ASN HA 2 28 SER QB 2.800 . 3.800 2.882 2.576 3.630 . 0 0 "[ . 1 . 2]" 1
919 2 69 LEU HB2 2 69 LEU QD 3.000 . 3.000 2.129 1.979 2.339 . 0 0 "[ . 1 . 2]" 1
920 2 50 LEU HA 2 50 LEU QD . . 3.100 2.377 1.802 2.876 0.198 16 0 "[ . 1 . 2]" 1
921 2 49 GLN HA 2 49 GLN HB2 2.600 . 3.400 2.788 2.380 3.026 . 0 0 "[ . 1 . 2]" 1
922 2 21 ASP HA 2 21 ASP QB 2.600 . 3.500 2.370 2.186 2.396 . 0 0 "[ . 1 . 2]" 1
923 2 40 GLN HA 2 72 ARG HB3 2.800 . 3.800 2.640 1.775 4.307 0.507 15 2 "[ . 1 + - 2]" 1
924 2 11 LYS HA 2 11 LYS HG2 3.100 . 4.300 3.459 3.058 3.779 . 0 0 "[ . 1 . 2]" 1
925 2 72 ARG HA 2 72 ARG HB3 2.600 . 3.400 2.712 2.239 2.915 . 0 0 "[ . 1 . 2]" 1
926 2 74 ARG HA 2 74 ARG HB3 2.700 . 3.600 2.663 2.434 3.025 . 0 0 "[ . 1 . 2]" 1
927 2 11 LYS HA 2 11 LYS HB3 2.500 . 3.300 3.021 3.018 3.024 . 0 0 "[ . 1 . 2]" 1
928 2 44 ILE MD 2 49 GLN HA 3.100 . 4.300 3.160 2.422 3.615 . 0 0 "[ . 1 . 2]" 1
929 2 34 GLU HA 2 34 GLU HB2 2.900 . 4.000 2.990 2.455 3.021 . 0 0 "[ . 1 . 2]" 1
930 2 34 GLU HA 2 34 GLU HB3 2.400 . 3.100 2.495 2.406 3.019 . 0 0 "[ . 1 . 2]" 1
931 2 25 ASN HA 2 25 ASN HB2 2.600 . 3.400 2.605 2.435 3.027 . 0 0 "[ . 1 . 2]" 1
932 2 40 GLN HA 2 72 ARG QD 3.300 . 4.700 3.453 2.029 4.639 . 0 0 "[ . 1 . 2]" 1
933 2 72 ARG HA 2 72 ARG QD 3.500 . 5.100 3.608 2.043 4.258 . 0 0 "[ . 1 . 2]" 1
934 2 40 GLN HA 2 40 GLN HB2 2.900 . 3.900 2.733 2.429 3.023 . 0 0 "[ . 1 . 2]" 1
935 2 33 LYS HB2 2 33 LYS QG 2.100 . 2.600 2.305 2.147 2.399 . 0 0 "[ . 1 . 2]" 1
936 2 11 LYS HG3 2 13 ILE HG12 2.200 . 6.000 4.063 2.769 5.144 . 0 0 "[ . 1 . 2]" 1
937 2 67 LEU QB 2 67 LEU QD 2.600 . 3.300 1.940 1.888 2.032 . 0 0 "[ . 1 . 2]" 1
938 2 11 LYS QD 2 11 LYS HG3 2.200 . 2.800 2.315 2.175 2.381 . 0 0 "[ . 1 . 2]" 1
939 2 73 LEU HA 2 73 LEU MD1 2.800 . 3.800 3.049 1.905 4.114 0.314 13 0 "[ . 1 . 2]" 1
940 2 2 GLN HA 2 2 GLN HB3 2.900 . 3.900 2.490 2.411 3.025 . 0 0 "[ . 1 . 2]" 1
941 2 45 PHE HB2 2 67 LEU QD 3.300 . 4.600 2.457 1.888 3.385 0.112 7 0 "[ . 1 . 2]" 1
942 2 45 PHE HB3 2 67 LEU QD 4.500 . 6.000 3.464 2.941 4.324 . 0 0 "[ . 1 . 2]" 1
943 2 11 LYS QE 2 11 LYS HG3 3.100 . 4.300 2.776 2.388 3.313 . 0 0 "[ . 1 . 2]" 1
944 2 8 LEU HB2 2 8 LEU MD1 2.700 . 3.600 2.806 2.274 3.200 . 0 0 "[ . 1 . 2]" 1
945 2 6 LYS QD 2 6 LYS HG2 2.400 . 3.100 2.328 2.173 2.397 . 0 0 "[ . 1 . 2]" 1
946 2 67 LEU HA 2 67 LEU QD 3.500 . 3.900 2.229 1.890 2.807 0.110 4 0 "[ . 1 . 2]" 1
947 2 72 ARG HA 2 72 ARG HB3 2.400 . 3.100 2.491 2.249 2.757 . 0 0 "[ . 1 . 2]" 1
948 2 42 ARG HA 2 42 ARG QB 2.600 . 3.400 2.383 2.332 2.471 . 0 0 "[ . 1 . 2]" 1
949 2 6 LYS HA 2 6 LYS HB2 2.700 . 3.600 2.501 2.413 3.017 . 0 0 "[ . 1 . 2]" 1
950 2 11 LYS HB2 2 11 LYS HG3 2.600 . 3.400 2.759 2.430 3.014 . 0 0 "[ . 1 . 2]" 1
951 2 16 GLU HA 2 16 GLU HB3 2.800 . 3.800 2.994 2.438 3.027 . 0 0 "[ . 1 . 2]" 1
952 2 1 MET HA 2 1 MET HB3 2.600 . 3.400 2.681 2.417 3.027 . 0 0 "[ . 1 . 2]" 1
953 2 54 ARG HA 2 54 ARG HG2 2.900 . 3.900 2.998 2.466 3.663 . 0 0 "[ . 1 . 2]" 1
954 2 54 ARG HA 2 54 ARG HB2 2.800 . 3.800 3.018 2.993 3.025 . 0 0 "[ . 1 . 2]" 1
955 2 54 ARG HA 2 54 ARG HB3 2.900 . 3.900 2.505 2.464 2.606 . 0 0 "[ . 1 . 2]" 1
956 2 2 GLN HA 2 16 GLU HA 2.900 . 4.000 2.192 1.783 2.525 0.017 4 0 "[ . 1 . 2]" 1
957 2 54 ARG HA 2 54 ARG HD3 3.300 . 4.600 2.965 1.976 4.363 0.024 11 0 "[ . 1 . 2]" 1
958 2 73 LEU HA 2 73 LEU HB3 2.500 . 3.300 2.668 2.376 3.021 . 0 0 "[ . 1 . 2]" 1
959 2 73 LEU HA 2 73 LEU HB2 2.700 . 3.600 2.765 2.375 3.021 . 0 0 "[ . 1 . 2]" 1
960 2 50 LEU HA 2 50 LEU HB2 2.900 . 3.900 3.013 3.002 3.021 . 0 0 "[ . 1 . 2]" 1
961 2 50 LEU HA 2 50 LEU HB3 2.800 . 3.800 2.347 2.240 2.520 . 0 0 "[ . 1 . 2]" 1
962 2 43 LEU HA 2 43 LEU QD 2.600 . 3.400 1.950 1.768 2.379 0.032 20 0 "[ . 1 . 2]" 1
963 2 18 GLU HA 2 18 GLU HB3 2.400 . 3.100 2.313 2.234 2.385 . 0 0 "[ . 1 . 2]" 1
964 2 63 LYS QG 2 64 GLU HG3 2.700 . 3.600 2.690 1.635 3.572 0.165 4 0 "[ . 1 . 2]" 1
965 2 15 LEU MD1 2 30 ILE HA 3.600 . 5.200 3.886 3.037 4.899 . 0 0 "[ . 1 . 2]" 1
966 2 15 LEU MD1 2 29 LYS HE2 3.500 . 5.000 4.494 2.530 5.630 0.630 3 1 "[ + . 1 . 2]" 1
967 2 71 LEU HA 2 71 LEU HB2 2.800 . 3.700 2.991 2.487 3.021 . 0 0 "[ . 1 . 2]" 1
968 2 67 LEU HA 2 67 LEU QB 2.300 . 3.000 2.374 2.307 2.438 . 0 0 "[ . 1 . 2]" 1
969 2 1 MET HA 2 1 MET HB2 2.500 . 3.300 2.378 2.230 2.900 . 0 0 "[ . 1 . 2]" 1
970 2 62 GLN HA 2 62 GLN HB3 2.400 . 3.100 2.465 2.428 2.523 . 0 0 "[ . 1 . 2]" 1
971 2 41 GLN HG3 2 69 LEU QD 3.100 . 4.300 3.639 2.862 4.195 . 0 0 "[ . 1 . 2]" 1
972 2 71 LEU HA 2 71 LEU HB3 2.300 . 3.000 2.406 2.227 2.509 . 0 0 "[ . 1 . 2]" 1
973 2 48 LYS HA 2 48 LYS QG 2.900 . 4.000 2.605 2.408 3.352 . 0 0 "[ . 1 . 2]" 1
974 2 48 LYS HA 2 48 LYS QB 2.300 . 3.000 2.344 2.176 2.397 . 0 0 "[ . 1 . 2]" 1
975 2 1 MET ME 2 62 GLN HA 3.300 . 4.700 4.362 3.610 4.720 0.020 16 0 "[ . 1 . 2]" 1
976 2 60 ASN HA 2 60 ASN HB2 2.700 . 3.600 2.846 2.460 3.029 . 0 0 "[ . 1 . 2]" 1
977 2 60 ASN HA 2 60 ASN HB3 2.600 . 3.500 2.645 2.437 3.030 . 0 0 "[ . 1 . 2]" 1
978 2 21 ASP QB 2 26 VAL MG2 3.100 . 4.300 3.334 2.743 3.728 . 0 0 "[ . 1 . 2]" 1
979 2 18 GLU HA 2 18 GLU HG3 3.400 . 4.900 3.465 3.088 3.777 . 0 0 "[ . 1 . 2]" 1
980 2 41 GLN HB2 2 69 LEU QD 2.600 . 3.400 2.340 1.482 4.019 0.619 10 1 "[ . + . 2]" 1
981 2 56 LEU MD2 2 56 LEU HG 2.400 . 3.100 2.107 2.081 2.128 . 0 0 "[ . 1 . 2]" 1
982 2 26 VAL MG2 2 56 LEU MD2 2.700 . 3.600 2.640 2.035 3.597 . 0 0 "[ . 1 . 2]" 1
983 2 56 LEU HA 2 56 LEU MD2 2.900 . 4.000 2.035 1.797 2.181 0.003 9 0 "[ . 1 . 2]" 1
984 2 69 LEU HA 2 69 LEU QD 2.800 . 3.800 2.625 1.842 3.182 . 0 0 "[ . 1 . 2]" 1
985 2 69 LEU HA 2 69 LEU HB2 2.600 . 3.400 2.489 2.372 2.566 . 0 0 "[ . 1 . 2]" 1
986 2 56 LEU HB3 2 56 LEU MD2 2.800 . 3.800 2.360 2.262 2.460 . 0 0 "[ . 1 . 2]" 1
987 2 56 LEU MD2 2 61 ILE HB 3.200 . 4.500 4.079 3.757 4.383 . 0 0 "[ . 1 . 2]" 1
988 2 8 LEU HB2 2 8 LEU MD2 2.700 . 3.600 2.635 2.078 3.198 . 0 0 "[ . 1 . 2]" 1
989 2 18 GLU HA 2 18 GLU HB2 2.800 . 3.800 3.024 3.022 3.026 . 0 0 "[ . 1 . 2]" 1
990 2 43 LEU HA 2 43 LEU HB2 2.700 . 3.600 2.914 2.470 3.019 . 0 0 "[ . 1 . 2]" 1
991 2 43 LEU HA 2 43 LEU HB3 2.800 . 3.800 2.620 2.462 3.017 . 0 0 "[ . 1 . 2]" 1
992 2 27 LYS QE 2 43 LEU HA 2.600 . 6.000 4.462 3.583 5.268 . 0 0 "[ . 1 . 2]" 1
993 2 15 LEU HA 2 15 LEU HB2 2.600 . 3.500 2.550 2.421 2.640 . 0 0 "[ . 1 . 2]" 1
994 2 62 GLN HA 2 62 GLN HG2 3.100 . 4.300 3.207 2.526 3.764 . 0 0 "[ . 1 . 2]" 1
995 2 73 LEU HB2 2 73 LEU MD1 2.200 . 2.800 2.299 2.143 2.434 . 0 0 "[ . 1 . 2]" 1
996 2 5 VAL HB 2 5 VAL MG1 2.300 . 3.000 2.109 2.083 2.128 . 0 0 "[ . 1 . 2]" 1
997 2 5 VAL MG1 2 69 LEU HB2 2.400 . 3.100 2.571 2.165 3.023 . 0 0 "[ . 1 . 2]" 1
998 2 26 VAL HB 2 26 VAL MG1 2.200 . 2.800 2.106 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
999 2 15 LEU HA 2 15 LEU MD1 2.400 . 3.100 2.654 1.906 3.817 0.717 3 1 "[ + . 1 . 2]" 1
1000 2 15 LEU HA 2 15 LEU HG 3.300 . 4.700 3.550 2.556 3.743 . 0 0 "[ . 1 . 2]" 1
1001 2 17 VAL MG1 2 17 VAL MG2 2.200 . 2.800 2.025 1.889 2.085 . 0 0 "[ . 1 . 2]" 1
1002 2 4 PHE QD 2 14 THR MG 3.300 . 4.700 4.031 3.666 4.323 . 0 0 "[ . 1 . 2]" 1
1003 2 4 PHE QE 2 14 THR MG 2.900 . 4.000 3.200 2.336 3.923 . 0 0 "[ . 1 . 2]" 1
1004 2 4 PHE HB3 2 12 THR MG 3.200 . 4.500 2.840 1.915 3.607 . 0 0 "[ . 1 . 2]" 1
1005 2 42 ARG QB 2 70 VAL QG 3.000 . 4.100 2.962 2.139 3.495 . 0 0 "[ . 1 . 2]" 1
1006 2 5 VAL HB 2 5 VAL MG2 2.400 . 3.100 2.112 2.088 2.129 . 0 0 "[ . 1 . 2]" 1
1007 2 36 ILE HA 2 37 PRO HD3 2.400 . 3.100 2.093 1.929 2.584 . 0 0 "[ . 1 . 2]" 1
1008 2 36 ILE MG 2 37 PRO HD2 2.700 . 3.600 1.890 1.761 2.053 0.039 5 0 "[ . 1 . 2]" 1
1009 2 38 PRO QD 2 38 PRO HG3 2.600 . 3.400 2.224 2.186 2.244 . 0 0 "[ . 1 . 2]" 1
1010 2 38 PRO QD 2 38 PRO HG2 2.600 . 3.400 2.204 2.185 2.244 . 0 0 "[ . 1 . 2]" 1
1011 2 37 PRO HD3 2 37 PRO HG3 2.700 . 3.600 2.308 2.291 2.327 . 0 0 "[ . 1 . 2]" 1
1012 2 1 MET ME 2 56 LEU MD1 2.800 . 6.000 3.040 2.252 3.931 . 0 0 "[ . 1 . 2]" 1
1013 2 3 ILE HB 2 3 ILE MG 2.400 . 3.100 2.097 2.081 2.125 . 0 0 "[ . 1 . 2]" 1
1014 2 7 THR MG 2 69 LEU QD 2.800 . 3.400 2.335 1.692 3.164 0.108 6 0 "[ . 1 . 2]" 1
1015 2 26 VAL MG1 2 26 VAL MG2 2.100 . 2.700 2.019 1.877 2.089 . 0 0 "[ . 1 . 2]" 1
1016 2 56 LEU MD1 2 56 LEU MD2 2.000 . 2.500 2.024 1.911 2.087 . 0 0 "[ . 1 . 2]" 1
1017 2 33 LYS QD 2 33 LYS QG 1.800 . 2.200 2.054 2.006 2.092 . 0 0 "[ . 1 . 2]" 1
1018 2 7 THR MG 2 11 LYS HB3 2.800 . 3.800 2.786 1.997 3.016 . 0 0 "[ . 1 . 2]" 1
1019 2 7 THR MG 2 11 LYS HB2 3.100 . 4.300 4.191 3.306 4.349 0.049 12 0 "[ . 1 . 2]" 1
1020 2 7 THR MG 2 69 LEU HB3 2.500 . 3.300 2.799 1.812 3.350 0.050 12 0 "[ . 1 . 2]" 1
1021 2 7 THR MG 2 11 LYS HG2 2.500 . 6.000 3.982 3.682 4.316 . 0 0 "[ . 1 . 2]" 1
1022 2 2 GLN HB3 2 14 THR MG 3.000 . 4.100 3.059 2.400 4.500 0.400 3 0 "[ . 1 . 2]" 1
1023 2 5 VAL MG1 2 69 LEU HB3 3.000 . 4.100 3.501 2.668 4.189 0.089 1 0 "[ . 1 . 2]" 1
1024 2 1 MET ME 2 3 ILE MG 3.100 . 4.300 2.766 2.211 3.459 . 0 0 "[ . 1 . 2]" 1
1025 2 5 VAL MG2 2 67 LEU QB 2.500 . 3.300 3.031 2.135 3.322 0.022 3 0 "[ . 1 . 2]" 1
1026 2 5 VAL MG2 2 30 ILE MD 2.100 . 2.600 2.268 1.901 2.579 . 0 0 "[ . 1 . 2]" 1
1027 2 5 VAL MG2 2 15 LEU HG 2.900 . 4.000 3.379 2.599 4.054 0.054 14 0 "[ . 1 . 2]" 1
1028 2 27 LYS HB2 2 27 LYS QE 3.100 . 6.000 4.451 4.245 4.518 . 0 0 "[ . 1 . 2]" 1
1029 2 3 ILE HB 2 3 ILE HG13 2.500 . 3.300 2.475 2.441 2.506 . 0 0 "[ . 1 . 2]" 1
1030 2 48 LYS QE 2 48 LYS QG 2.900 . 3.900 2.363 2.136 2.786 . 0 0 "[ . 1 . 2]" 1
1031 2 36 ILE MG 2 41 GLN HG3 3.100 . 4.300 3.723 2.093 4.316 0.016 2 0 "[ . 1 . 2]" 1
1032 2 31 GLN HA 2 31 GLN HG2 2.700 . 3.600 3.126 2.413 3.819 0.219 13 0 "[ . 1 . 2]" 1
1033 2 63 LYS QD 2 63 LYS QG 1.700 . 2.200 2.052 2.008 2.092 . 0 0 "[ . 1 . 2]" 1
1034 2 37 PRO HD2 2 37 PRO HG2 2.600 . 3.400 2.308 2.289 2.324 . 0 0 "[ . 1 . 2]" 1
1035 2 5 VAL HA 2 5 VAL MG1 3.600 . 5.300 2.344 2.179 2.464 . 0 0 "[ . 1 . 2]" 1
1036 2 4 PHE HA 2 4 PHE QD 3.200 . 4.400 2.986 2.306 3.076 . 0 0 "[ . 1 . 2]" 1
1037 2 4 PHE HA 2 4 PHE HB2 2.900 . 4.000 2.977 2.858 3.004 . 0 0 "[ . 1 . 2]" 1
1038 2 71 LEU HA 2 71 LEU QD 3.800 . 5.600 2.181 1.880 3.308 0.120 1 0 "[ . 1 . 2]" 1
1039 2 33 LYS HE3 2 33 LYS QG 3.200 . 4.500 2.897 2.374 3.488 . 0 0 "[ . 1 . 2]" 1
1040 2 72 ARG HA 2 72 ARG HG2 3.300 . 4.700 3.228 2.539 3.819 . 0 0 "[ . 1 . 2]" 1
1041 2 72 ARG HA 2 72 ARG HG3 3.400 . 4.900 2.740 2.467 3.181 . 0 0 "[ . 1 . 2]" 1
1042 2 74 ARG HA 2 74 ARG QG 3.700 . 5.400 2.640 2.373 3.350 . 0 0 "[ . 1 . 2]" 1
1043 2 23 ILE HG13 2 59 TYR QE 3.400 . 4.800 4.222 3.772 4.817 0.017 16 0 "[ . 1 . 2]" 1
1044 2 13 ILE HG12 2 13 ILE MG 2.400 . 3.100 2.674 1.983 3.193 0.093 14 0 "[ . 1 . 2]" 1
1045 2 42 ARG QB 2 42 ARG QG 2.100 . 2.600 2.040 1.997 2.088 . 0 0 "[ . 1 . 2]" 1
1046 2 38 PRO HB3 2 38 PRO HG3 2.300 . 3.000 2.318 2.314 2.326 . 0 0 "[ . 1 . 2]" 1
1047 2 59 TYR HA 2 59 TYR QD 2.500 . 3.300 3.108 2.997 3.192 . 0 0 "[ . 1 . 2]" 1
1048 2 41 GLN HA 2 41 GLN HB3 2.900 . 3.900 2.439 2.403 2.484 . 0 0 "[ . 1 . 2]" 1
1049 2 41 GLN HA 2 41 GLN HB2 2.500 . 3.300 2.597 2.411 3.023 . 0 0 "[ . 1 . 2]" 1
1050 2 15 LEU MD1 2 33 LYS QD 3.800 . 5.600 4.903 3.221 5.788 0.188 3 0 "[ . 1 . 2]" 1
1051 2 44 ILE HA 2 44 ILE HG12 3.100 . 4.300 2.554 2.463 3.051 . 0 0 "[ . 1 . 2]" 1
1052 2 65 SER HA 2 65 SER HB2 3.000 . 4.100 2.679 2.432 3.030 . 0 0 "[ . 1 . 2]" 1
1053 2 65 SER HA 2 65 SER HB3 2.700 . 3.600 2.736 2.454 3.028 . 0 0 "[ . 1 . 2]" 1
1054 2 1 MET HB3 2 1 MET HG2 2.900 . 3.900 2.554 2.421 3.010 . 0 0 "[ . 1 . 2]" 1
1055 2 6 LYS HA 2 6 LYS HB3 3.000 . 4.200 2.938 2.405 3.026 . 0 0 "[ . 1 . 2]" 1
1056 2 36 ILE MG 2 40 GLN QG 3.600 . 5.200 3.577 2.478 4.569 . 0 0 "[ . 1 . 2]" 1
1057 2 6 LYS HB2 2 66 THR MG 3.000 . 4.100 2.589 1.911 3.648 . 0 0 "[ . 1 . 2]" 1
1058 2 30 ILE MG 2 34 GLU HG3 3.000 . 4.100 2.761 2.016 4.405 0.305 4 0 "[ . 1 . 2]" 1
1059 2 27 LYS QD 2 30 ILE HB 2.700 . 3.600 3.635 3.604 3.665 0.065 7 0 "[ . 1 . 2]" 1
1060 2 23 ILE MD 2 50 LEU QD 3.900 . 5.800 2.190 1.737 2.798 0.263 7 0 "[ . 1 . 2]" 1
1061 2 23 ILE MD 2 59 TYR QE 2.800 . 3.800 3.694 2.906 3.818 0.018 14 0 "[ . 1 . 2]" 1
1062 2 23 ILE MD 2 50 LEU HB3 3.000 . 4.100 2.293 2.017 2.753 . 0 0 "[ . 1 . 2]" 1
1063 2 23 ILE MD 2 26 VAL HB 3.600 . 5.200 3.788 3.457 4.114 . 0 0 "[ . 1 . 2]" 1
1064 2 23 ILE HB 2 23 ILE MD 3.500 . 5.000 3.232 3.223 3.239 . 0 0 "[ . 1 . 2]" 1
1065 2 56 LEU HB2 2 56 LEU HG 2.800 . 3.800 2.455 2.424 2.474 . 0 0 "[ . 1 . 2]" 1
1066 2 59 TYR HB3 2 61 ILE HG13 3.100 . 4.300 2.699 2.386 3.133 . 0 0 "[ . 1 . 2]" 1
1067 2 4 PHE HB3 2 4 PHE QD 2.800 . 3.800 2.338 2.266 2.702 . 0 0 "[ . 1 . 2]" 1
1068 2 4 PHE HB2 2 4 PHE QD 3.100 . 4.300 2.449 2.271 2.543 . 0 0 "[ . 1 . 2]" 1
1069 2 4 PHE HB2 2 66 THR HA 3.400 . 4.800 2.941 2.341 3.389 . 0 0 "[ . 1 . 2]" 1
1070 2 13 ILE HB 2 13 ILE HG12 2.800 . 3.800 2.810 2.450 3.029 . 0 0 "[ . 1 . 2]" 1
1071 2 4 PHE HB2 2 12 THR MG 4.600 . 6.000 3.955 3.136 4.923 . 0 0 "[ . 1 . 2]" 1
1072 2 6 LYS QE 2 6 LYS HG3 3.000 . 4.100 2.752 2.341 3.508 . 0 0 "[ . 1 . 2]" 1
1073 2 11 LYS HB2 2 11 LYS QE 3.400 . 4.800 3.721 2.083 4.204 . 0 0 "[ . 1 . 2]" 1
1074 2 42 ARG HD3 2 42 ARG QG 2.500 . 3.300 2.307 2.168 2.381 . 0 0 "[ . 1 . 2]" 1
1075 2 42 ARG QB 2 42 ARG HD2 3.100 . 4.300 2.705 2.318 3.479 . 0 0 "[ . 1 . 2]" 1
1076 2 42 ARG HD2 2 42 ARG QG 2.500 . 3.300 2.311 2.172 2.382 . 0 0 "[ . 1 . 2]" 1
1077 2 54 ARG HB3 2 54 ARG HD3 3.300 . 4.600 3.123 2.379 3.726 . 0 0 "[ . 1 . 2]" 1
1078 2 54 ARG HB3 2 54 ARG HD2 3.300 . 4.600 2.853 2.426 3.723 . 0 0 "[ . 1 . 2]" 1
1079 2 54 ARG HB2 2 54 ARG HD2 3.400 . 4.900 3.468 2.490 4.216 . 0 0 "[ . 1 . 2]" 1
1080 2 44 ILE HB 2 44 ILE MD 2.700 . 3.600 2.435 2.328 3.225 . 0 0 "[ . 1 . 2]" 1
1081 2 3 ILE MD 2 3 ILE HG12 1.900 . 2.400 2.098 2.076 2.118 . 0 0 "[ . 1 . 2]" 1
1082 2 3 ILE MD 2 17 VAL QG 2.100 . 2.600 1.885 1.602 2.237 . 0 0 "[ . 1 . 2]" 1
1083 2 45 PHE HB2 2 61 ILE MD 3.400 . 4.800 4.568 3.941 4.929 0.129 19 0 "[ . 1 . 2]" 1
1084 2 45 PHE HB3 2 61 ILE MD 3.700 . 5.400 4.382 3.753 4.785 . 0 0 "[ . 1 . 2]" 1
1085 2 4 PHE QE 2 13 ILE MD 2.100 . 6.000 5.572 4.432 6.106 0.106 3 0 "[ . 1 . 2]" 1
1086 2 69 LEU HB2 2 69 LEU HG 2.400 . 3.100 2.696 2.439 3.022 . 0 0 "[ . 1 . 2]" 1
1087 2 43 LEU HB3 2 50 LEU QD 3.300 . 4.700 2.311 1.816 3.175 0.084 7 0 "[ . 1 . 2]" 1
1088 2 6 LYS QE 2 10 GLY HA3 4.300 . 6.000 5.173 2.706 6.358 0.358 4 0 "[ . 1 . 2]" 1
1089 2 46 ALA MB 2 48 LYS QG 3.800 . 5.600 3.714 2.545 5.191 . 0 0 "[ . 1 . 2]" 1
1090 2 46 ALA MB 2 48 LYS QE 3.600 . 5.200 4.174 2.816 5.132 . 0 0 "[ . 1 . 2]" 1
1091 2 30 ILE MD 2 30 ILE MG 2.200 . 2.800 1.993 1.808 2.143 . 0 0 "[ . 1 . 2]" 1
1092 2 36 ILE MG 2 37 PRO HD3 3.900 . 5.800 3.040 2.804 3.424 . 0 0 "[ . 1 . 2]" 1
1093 2 13 ILE MG 2 33 LYS HB3 3.300 . 4.700 4.343 3.098 4.750 0.050 10 0 "[ . 1 . 2]" 1
1094 2 36 ILE MG 2 37 PRO HG2 4.400 . 6.000 3.633 2.643 3.917 . 0 0 "[ . 1 . 2]" 1
1095 2 23 ILE MG 2 26 VAL HB 3.500 . 5.000 3.131 2.757 3.420 . 0 0 "[ . 1 . 2]" 1
1096 2 4 PHE QE 2 13 ILE MG 3.200 . 4.500 4.538 4.305 4.622 0.122 7 0 "[ . 1 . 2]" 1
1097 2 13 ILE HG13 2 13 ILE MG 2.500 . 3.300 2.864 2.292 3.209 . 0 0 "[ . 1 . 2]" 1
1098 2 23 ILE MD 2 23 ILE MG 2.200 . 2.800 1.977 1.733 2.184 . 0 0 "[ . 1 . 2]" 1
1099 2 3 ILE HG12 2 17 VAL QG 2.400 . 3.100 2.145 1.670 2.500 0.030 2 0 "[ . 1 . 2]" 1
1100 2 1 MET ME 2 19 SER QB 2.900 . 4.000 3.729 2.867 4.027 0.027 19 0 "[ . 1 . 2]" 1
1101 2 56 LEU HB2 2 56 LEU MD2 3.100 . 4.300 3.191 3.182 3.201 . 0 0 "[ . 1 . 2]" 1
1102 2 61 ILE MD 2 67 LEU QD 2.500 . 3.300 2.575 2.209 3.007 . 0 0 "[ . 1 . 2]" 1
1103 2 34 GLU HB2 2 36 ILE MD 3.000 . 4.100 3.734 3.068 4.151 0.051 5 0 "[ . 1 . 2]" 1
1104 2 25 ASN HB2 2 26 VAL MG2 4.000 . 6.000 4.352 3.043 4.816 . 0 0 "[ . 1 . 2]" 1
1105 2 17 VAL QG 2 26 VAL MG2 3.000 . 4.200 1.958 1.712 2.313 0.088 19 0 "[ . 1 . 2]" 1
1106 2 3 ILE HG13 2 3 ILE MG 3.200 . 4.500 3.195 3.188 3.206 . 0 0 "[ . 1 . 2]" 1
1107 2 15 LEU HB2 2 15 LEU MD2 2.700 . 3.600 2.415 2.243 3.204 . 0 0 "[ . 1 . 2]" 1
1108 2 19 SER HA 2 56 LEU MD2 4.000 . 6.000 4.779 4.041 6.016 0.016 9 0 "[ . 1 . 2]" 1
1109 2 15 LEU MD1 2 30 ILE HG13 3.000 . 4.100 3.053 2.277 3.825 . 0 0 "[ . 1 . 2]" 1
1110 2 15 LEU HB2 2 15 LEU MD1 2.800 . 3.800 2.998 2.326 3.213 . 0 0 "[ . 1 . 2]" 1
1111 2 8 LEU MD1 2 8 LEU MD2 1.800 . 2.200 2.037 1.902 2.090 . 0 0 "[ . 1 . 2]" 1
1112 2 40 GLN HA 2 72 ARG HB2 3.100 . 4.300 2.977 2.152 3.940 . 0 0 "[ . 1 . 2]" 1
1113 2 42 ARG HA 2 42 ARG QG 2.600 . 3.500 2.643 2.356 3.021 . 0 0 "[ . 1 . 2]" 1
1114 2 11 LYS HB2 2 11 LYS HG2 2.400 . 3.100 2.706 2.440 3.014 . 0 0 "[ . 1 . 2]" 1
1115 2 11 LYS HB3 2 11 LYS HG2 2.700 . 3.600 2.419 2.390 2.461 . 0 0 "[ . 1 . 2]" 1
1116 2 16 GLU HA 2 16 GLU HG3 3.200 . 4.500 3.251 2.556 3.713 . 0 0 "[ . 1 . 2]" 1
1117 2 67 LEU HA 2 67 LEU HG 2.700 . 3.600 3.050 2.468 3.694 0.094 15 0 "[ . 1 . 2]" 1
1118 2 2 GLN HB2 2 14 THR MG 2.600 . 3.500 2.997 2.077 3.839 0.339 11 0 "[ . 1 . 2]" 1
1119 2 24 ASP HA 2 27 LYS HB3 3.700 . 5.400 4.415 4.062 4.712 . 0 0 "[ . 1 . 2]" 1
1120 2 24 ASP HA 2 27 LYS QD 2.900 . 6.000 5.001 4.644 5.419 . 0 0 "[ . 1 . 2]" 1
1121 2 36 ILE MG 2 40 GLN HB2 2.900 . 4.000 3.473 2.647 4.497 0.497 13 0 "[ . 1 . 2]" 1
1122 2 29 LYS HD2 2 29 LYS HG2 2.300 . 3.000 2.832 2.450 3.016 0.016 1 0 "[ . 1 . 2]" 1
1123 2 29 LYS HB3 2 29 LYS HD2 3.300 . 4.600 3.224 2.523 3.731 . 0 0 "[ . 1 . 2]" 1
1124 2 29 LYS HB2 2 29 LYS HD2 3.100 . 4.300 2.899 2.473 3.721 . 0 0 "[ . 1 . 2]" 1
1125 2 16 GLU HB2 2 16 GLU HG2 2.600 . 3.400 2.611 2.429 2.993 . 0 0 "[ . 1 . 2]" 1
1126 2 16 GLU HB3 2 16 GLU HG3 2.000 . 2.500 2.611 2.434 2.990 0.490 12 0 "[ . 1 . 2]" 1
1127 2 16 GLU HB3 2 16 GLU HG2 2.200 . 2.800 2.636 2.333 3.010 0.210 1 0 "[ . 1 . 2]" 1
1128 2 2 GLN HB2 2 2 GLN HG3 2.300 . 3.000 2.517 2.380 3.010 0.010 5 0 "[ . 1 . 2]" 1
1129 2 61 ILE HA 2 61 ILE MD 3.500 . 5.000 3.836 3.806 3.852 . 0 0 "[ . 1 . 2]" 1
1130 2 45 PHE HZ 2 61 ILE HA 3.600 . 5.200 4.021 3.143 4.739 . 0 0 "[ . 1 . 2]" 1
1131 2 23 ILE HG13 2 50 LEU HB2 3.500 . 5.000 4.305 3.461 4.988 . 0 0 "[ . 1 . 2]" 1
1132 2 67 LEU QB 2 67 LEU HG 2.000 . 2.500 2.337 2.165 2.390 . 0 0 "[ . 1 . 2]" 1
1133 2 11 LYS QE 2 13 ILE MG 3.900 . 5.800 4.812 4.192 5.857 0.057 13 0 "[ . 1 . 2]" 1
1134 2 13 ILE MG 2 33 LYS HE3 3.700 . 5.400 4.011 1.960 6.251 0.851 17 1 "[ . 1 . + 2]" 1
1135 2 13 ILE MG 2 15 LEU HB2 2.800 . 3.800 3.779 3.653 3.835 0.035 2 0 "[ . 1 . 2]" 1
1136 2 30 ILE MG 2 34 GLU HB3 3.300 . 4.600 3.823 2.728 4.592 . 0 0 "[ . 1 . 2]" 1
1137 2 50 LEU QD 2 59 TYR HB2 4.000 . 6.000 4.568 3.827 5.059 . 0 0 "[ . 1 . 2]" 1
1138 2 34 GLU HA 2 34 GLU HG2 2.700 . 3.600 2.826 2.463 3.760 0.160 4 0 "[ . 1 . 2]" 1
1139 2 44 ILE HG13 2 49 GLN HA 4.000 . 6.000 4.024 3.488 5.384 . 0 0 "[ . 1 . 2]" 1
1140 2 27 LYS HA 2 27 LYS QD 3.400 . 4.800 1.991 1.970 2.026 0.030 8 0 "[ . 1 . 2]" 1
1141 2 44 ILE HB 2 68 HIS HB3 3.400 . 4.800 3.146 2.659 3.713 . 0 0 "[ . 1 . 2]" 1
1142 2 44 ILE HB 2 68 HIS HB2 2.500 . 3.300 2.008 1.639 2.676 0.061 15 0 "[ . 1 . 2]" 1
1143 2 6 LYS HB2 2 68 HIS HA 3.800 . 5.600 4.607 2.512 5.717 0.117 2 0 "[ . 1 . 2]" 1
1144 2 1 MET ME 2 3 ILE HB 2.300 . 6.000 5.263 4.617 6.052 0.052 5 0 "[ . 1 . 2]" 1
1145 2 30 ILE MG 2 34 GLU HG2 3.600 . 5.200 3.399 2.337 4.262 . 0 0 "[ . 1 . 2]" 1
1146 2 73 LEU HB3 2 73 LEU MD1 3.000 . 4.100 2.863 2.284 3.204 . 0 0 "[ . 1 . 2]" 1
1147 2 3 ILE HB 2 3 ILE MD 2.100 . 2.600 1.971 1.943 2.001 . 0 0 "[ . 1 . 2]" 1
1148 2 54 ARG HA 2 54 ARG HG3 2.800 . 3.800 3.507 2.360 3.781 . 0 0 "[ . 1 . 2]" 1
1149 2 26 VAL HA 2 29 LYS HG2 3.600 . 5.200 4.939 4.646 5.213 0.013 14 0 "[ . 1 . 2]" 1
1150 2 26 VAL HA 2 29 LYS HB3 3.800 . 5.600 4.671 4.402 4.842 . 0 0 "[ . 1 . 2]" 1
1151 2 27 LYS QD 2 38 PRO HA 3.100 . 4.300 2.841 2.197 3.862 . 0 0 "[ . 1 . 2]" 1
1152 2 65 SER HB2 2 67 LEU QD 3.500 . 5.000 3.611 2.243 4.472 . 0 0 "[ . 1 . 2]" 1
1153 2 37 PRO HB2 2 40 GLN QG 3.000 . 4.200 3.246 1.869 4.220 0.020 4 0 "[ . 1 . 2]" 1
1154 2 7 THR HA 2 69 LEU HB2 4.200 . 6.000 3.569 2.417 4.844 . 0 0 "[ . 1 . 2]" 1
1155 2 13 ILE HA 2 13 ILE MD 3.600 . 5.300 3.136 1.904 3.880 . 0 0 "[ . 1 . 2]" 1
1156 2 56 LEU HA 2 56 LEU MD1 3.700 . 5.400 3.852 3.824 3.868 . 0 0 "[ . 1 . 2]" 1
1157 2 49 GLN HA 2 49 GLN HB3 2.600 . 3.400 2.536 2.417 3.025 . 0 0 "[ . 1 . 2]" 1
1158 2 2 GLN HA 2 2 GLN HB2 2.600 . 3.400 2.506 2.380 2.901 . 0 0 "[ . 1 . 2]" 1
1159 2 45 PHE HA 2 45 PHE HB2 2.600 . 3.400 2.467 2.436 2.492 . 0 0 "[ . 1 . 2]" 1
1160 2 44 ILE HA 2 49 GLN HA 3.100 . 4.300 2.316 1.959 2.834 . 0 0 "[ . 1 . 2]" 1
1161 2 69 LEU HA 2 69 LEU HG 3.300 . 4.700 2.749 2.455 3.768 . 0 0 "[ . 1 . 2]" 1
1162 2 45 PHE HA 2 50 LEU QD 4.100 . 6.000 4.099 3.561 4.786 . 0 0 "[ . 1 . 2]" 1
1163 2 44 ILE MG 2 47 GLY HA2 3.800 . 5.600 3.251 2.777 3.632 . 0 0 "[ . 1 . 2]" 1
1164 2 44 ILE MG 2 68 HIS HB2 3.800 . 5.600 3.135 2.677 3.631 . 0 0 "[ . 1 . 2]" 1
1165 2 44 ILE HB 2 44 ILE MG 2.400 . 3.100 2.104 2.083 2.129 . 0 0 "[ . 1 . 2]" 1
1166 2 44 ILE HG13 2 44 ILE MG 3.400 . 4.800 3.158 2.428 3.206 . 0 0 "[ . 1 . 2]" 1
1167 2 44 ILE HG12 2 44 ILE MG 2.700 . 3.600 2.410 2.271 3.203 . 0 0 "[ . 1 . 2]" 1
1168 2 4 PHE QD 2 13 ILE MD 3.200 . 6.000 5.518 4.571 6.090 0.090 6 0 "[ . 1 . 2]" 1
1169 2 42 ARG QB 2 44 ILE MD 3.400 . 4.800 3.664 3.180 4.391 . 0 0 "[ . 1 . 2]" 1
1170 2 49 GLN HB2 2 49 GLN HG3 2.100 . 2.600 2.746 2.306 3.010 0.410 7 0 "[ . 1 . 2]" 1
1171 2 49 GLN HB3 2 49 GLN HG3 2.100 . 2.700 2.500 2.427 2.594 . 0 0 "[ . 1 . 2]" 1
1172 2 31 GLN HB3 2 31 GLN HG3 2.500 . 3.300 2.939 2.464 3.011 . 0 0 "[ . 1 . 2]" 1
1173 2 2 GLN HA 2 2 GLN HG3 3.400 . 4.900 3.264 2.413 4.257 . 0 0 "[ . 1 . 2]" 1
1174 2 49 GLN HB3 2 49 GLN HG2 2.300 . 3.000 2.617 2.288 3.009 0.009 3 0 "[ . 1 . 2]" 1
1175 2 27 LYS HB2 2 27 LYS QG 2.500 . 3.300 2.166 2.164 2.168 . 0 0 "[ . 1 . 2]" 1
1176 2 27 LYS HB2 2 27 LYS QD 4.000 . 6.000 3.305 3.292 3.310 . 0 0 "[ . 1 . 2]" 1
1177 2 56 LEU HB3 2 61 ILE HB 2.400 . 6.000 3.463 3.015 3.796 . 0 0 "[ . 1 . 2]" 1
1178 2 56 LEU MD1 2 56 LEU HG 2.000 . 2.500 2.108 2.086 2.126 . 0 0 "[ . 1 . 2]" 1
1179 2 21 ASP QB 2 56 LEU MD1 3.900 . 5.800 3.355 2.414 4.047 . 0 0 "[ . 1 . 2]" 1
1180 2 3 ILE MD 2 3 ILE HG12 2.000 . 2.500 1.955 1.916 1.985 . 0 0 "[ . 1 . 2]" 1
1181 2 69 LEU QD 2 71 LEU QD 3.000 . 4.100 2.079 1.699 2.886 0.201 14 0 "[ . 1 . 2]" 1
1182 2 3 ILE HG13 2 15 LEU HB3 2.600 . 3.500 2.602 2.045 3.367 . 0 0 "[ . 1 . 2]" 1
1183 2 69 LEU HG 2 71 LEU QD 3.300 . 4.700 3.598 2.622 4.617 . 0 0 "[ . 1 . 2]" 1
1184 2 31 GLN HB2 2 31 GLN HG3 2.600 . 3.500 2.443 2.260 3.010 . 0 0 "[ . 1 . 2]" 1
1185 2 30 ILE HB 2 30 ILE HG13 2.500 . 3.300 2.472 2.457 2.485 . 0 0 "[ . 1 . 2]" 1
1186 2 23 ILE MD 2 50 LEU HB2 3.500 . 5.000 3.509 3.125 3.989 . 0 0 "[ . 1 . 2]" 1
1187 2 23 ILE HG13 2 50 LEU QD 3.800 . 5.600 3.646 2.979 4.579 . 0 0 "[ . 1 . 2]" 1
1188 2 17 VAL HB 2 21 ASP QB 3.900 . 5.800 3.694 2.857 5.304 . 0 0 "[ . 1 . 2]" 1
1189 2 50 LEU QD 2 67 LEU QD 3.200 . 4.500 2.256 1.735 3.083 0.165 10 0 "[ . 1 . 2]" 1
1190 2 2 GLN HA 2 2 GLN HG2 4.000 . 6.000 3.187 2.528 3.748 . 0 0 "[ . 1 . 2]" 1
1191 2 19 SER HA 2 56 LEU HB3 3.900 . 5.800 3.497 2.903 4.622 . 0 0 "[ . 1 . 2]" 1
1192 2 28 SER HA 2 31 GLN HB2 3.200 . 4.500 3.552 3.238 4.522 0.022 7 0 "[ . 1 . 2]" 1
1193 2 50 LEU HA 2 59 TYR QE 3.600 . 5.300 2.595 2.005 3.648 . 0 0 "[ . 1 . 2]" 1
1194 2 36 ILE MG 2 40 GLN HB3 2.800 . 3.800 2.994 2.130 3.803 0.003 5 0 "[ . 1 . 2]" 1
1195 2 15 LEU MD1 2 29 LYS HB2 2.900 . 3.900 2.437 2.139 3.011 . 0 0 "[ . 1 . 2]" 1
1196 2 15 LEU MD1 2 29 LYS HB3 2.700 . 3.600 2.702 2.177 3.721 0.121 20 0 "[ . 1 . 2]" 1
1197 2 3 ILE HG13 2 17 VAL QG 3.700 . 5.400 3.206 2.749 3.630 . 0 0 "[ . 1 . 2]" 1
1198 2 45 PHE HA 2 45 PHE QE 4.200 . 6.000 4.401 4.344 4.455 . 0 0 "[ . 1 . 2]" 1
1199 2 45 PHE HA 2 45 PHE QD 2.700 . 3.600 2.177 2.093 2.268 . 0 0 "[ . 1 . 2]" 1
1200 2 45 PHE QE 2 65 SER HB3 3.400 . 4.900 4.218 2.962 5.095 0.195 13 0 "[ . 1 . 2]" 1
1201 2 45 PHE HB2 2 45 PHE QD 3.100 . 4.300 2.697 2.656 2.725 . 0 0 "[ . 1 . 2]" 1
1202 2 45 PHE HB3 2 45 PHE QE 4.700 . 6.000 4.374 4.371 4.378 . 0 0 "[ . 1 . 2]" 1
1203 2 45 PHE HB3 2 45 PHE QD 2.800 . 3.700 2.274 2.266 2.286 . 0 0 "[ . 1 . 2]" 1
1204 2 45 PHE QD 2 46 ALA MB 3.700 . 5.400 3.283 3.051 3.476 . 0 0 "[ . 1 . 2]" 1
1205 2 4 PHE QD 2 14 THR HA 3.300 . 4.600 3.412 2.964 3.711 . 0 0 "[ . 1 . 2]" 1
1206 2 4 PHE QD 2 12 THR MG 2.900 . 3.900 2.890 1.889 3.935 0.035 13 0 "[ . 1 . 2]" 1
1207 2 56 LEU HA 2 59 TYR QD 3.500 . 5.000 3.120 2.753 3.589 . 0 0 "[ . 1 . 2]" 1
1208 2 23 ILE MD 2 59 TYR QD 3.400 . 4.800 4.122 3.652 4.458 . 0 0 "[ . 1 . 2]" 1
1209 2 4 PHE QE 2 64 GLU HB3 3.900 . 5.800 4.177 3.210 4.968 . 0 0 "[ . 1 . 2]" 1
1210 2 4 PHE QE 2 64 GLU QG 3.600 . 5.200 4.088 2.556 5.217 0.017 20 0 "[ . 1 . 2]" 1
1211 2 45 PHE QD 2 61 ILE MD 3.600 . 5.200 3.425 2.932 4.118 . 0 0 "[ . 1 . 2]" 1
1212 2 45 PHE QD 2 67 LEU HG 4.200 . 6.000 4.942 3.209 5.862 . 0 0 "[ . 1 . 2]" 1
1213 1 1 TYR QD 1 2 PRO HD3 4.600 . 6.000 4.494 2.978 5.226 . 0 0 "[ . 1 . 2]" 1
1214 1 1 TYR QD 1 2 PRO HD2 3.900 . 5.800 3.729 2.078 4.793 . 0 0 "[ . 1 . 2]" 1
1215 1 1 TYR HB2 1 1 TYR QD 3.100 . 4.300 2.676 2.588 2.718 . 0 0 "[ . 1 . 2]" 1
1216 1 1 TYR HB3 1 1 TYR QD 2.600 . 3.500 2.279 2.272 2.295 . 0 0 "[ . 1 . 2]" 1
1217 1 1 TYR HA 1 1 TYR QD 3.200 . 4.500 2.944 2.132 3.733 . 0 0 "[ . 1 . 2]" 1
1218 1 1 TYR HA 1 2 PRO HD3 2.400 . 3.100 2.326 1.781 3.376 0.276 14 0 "[ . 1 . 2]" 1
1219 1 1 TYR HA 1 2 PRO HD2 2.900 . 3.900 2.436 2.036 2.936 . 0 0 "[ . 1 . 2]" 1
1220 1 1 TYR HA 1 1 TYR HB3 2.600 . 3.500 2.648 2.350 3.031 . 0 0 "[ . 1 . 2]" 1
1221 1 4 ASP HA 1 4 ASP QB 2.400 . 3.100 2.291 2.180 2.388 . 0 0 "[ . 1 . 2]" 1
1222 1 7 GLU HA 1 7 GLU HB2 2.300 . 3.000 2.474 2.384 3.009 0.009 18 0 "[ . 1 . 2]" 1
1223 1 7 GLU HA 1 7 GLU HB3 2.700 . 3.600 2.921 2.458 3.026 . 0 0 "[ . 1 . 2]" 1
1224 1 18 LYS HA 1 18 LYS QB 2.100 . 2.600 2.373 2.339 2.449 . 0 0 "[ . 1 . 2]" 1
1225 1 7 GLU HA 1 7 GLU QG 2.700 . 3.600 2.721 2.446 3.349 . 0 0 "[ . 1 . 2]" 1
1226 1 7 GLU HA 1 10 ARG QD 3.300 . 4.600 2.715 2.177 3.644 . 0 0 "[ . 1 . 2]" 1
1227 1 18 LYS QD 1 18 LYS HG2 2.000 . 2.500 2.307 2.173 2.413 . 0 0 "[ . 1 . 2]" 1
1228 1 17 LEU HB3 1 17 LEU MD1 2.600 . 3.400 2.347 2.273 2.473 . 0 0 "[ . 1 . 2]" 1
1229 1 8 LEU HB3 1 8 LEU QD 2.600 . 3.500 2.213 2.078 2.355 . 0 0 "[ . 1 . 2]" 1
1230 1 8 LEU HB2 1 8 LEU QD 2.500 . 3.300 2.222 2.082 2.362 . 0 0 "[ . 1 . 2]" 1
1231 1 10 ARG QD 1 10 ARG HG2 2.400 . 3.100 2.279 2.170 2.373 . 0 0 "[ . 1 . 2]" 1
1232 1 17 LEU HA 1 17 LEU HB3 2.500 . 3.300 2.495 2.462 2.531 . 0 0 "[ . 1 . 2]" 1
1233 1 21 ARG HA 1 21 ARG QG 3.600 . 5.200 2.700 2.369 3.482 . 0 0 "[ . 1 . 2]" 1
1234 1 13 ILE HB 1 13 ILE MD 2.600 . 3.500 2.758 2.346 3.238 . 0 0 "[ . 1 . 2]" 1
1235 1 17 LEU MD1 1 17 LEU HG 2.100 . 2.700 2.108 2.081 2.127 . 0 0 "[ . 1 . 2]" 1
1236 1 21 ARG QD 1 21 ARG QG 2.900 . 3.900 2.052 2.001 2.092 . 0 0 "[ . 1 . 2]" 1
1237 1 17 LEU HB3 1 17 LEU MD2 2.100 . 2.700 2.330 2.271 2.440 . 0 0 "[ . 1 . 2]" 1
1238 1 17 LEU HB2 1 17 LEU MD1 3.000 . 4.100 2.329 2.199 2.396 . 0 0 "[ . 1 . 2]" 1
1239 1 9 ILE HB 1 9 ILE MD 2.700 . 3.600 2.382 2.263 2.492 . 0 0 "[ . 1 . 2]" 1
1240 1 9 ILE MD 1 9 ILE HG13 2.200 . 2.800 2.089 2.073 2.120 . 0 0 "[ . 1 . 2]" 1
1241 1 17 LEU HA 1 17 LEU MD2 3.000 . 4.100 2.052 1.891 2.205 0.009 2 0 "[ . 1 . 2]" 1
1242 1 8 LEU HA 1 8 LEU QD 2.700 . 3.600 2.041 1.794 2.704 0.006 14 0 "[ . 1 . 2]" 1
1243 1 17 LEU HA 1 17 LEU MD1 2.900 . 4.000 3.849 3.834 3.868 . 0 0 "[ . 1 . 2]" 1
1244 1 10 ARG HA 1 13 ILE MD 2.800 . 3.800 2.785 1.999 3.742 . 0 0 "[ . 1 . 2]" 1
1245 1 14 GLU HA 1 17 LEU MD1 3.100 . 4.300 2.583 2.069 2.918 . 0 0 "[ . 1 . 2]" 1
1246 1 9 ILE HA 1 9 ILE MG 2.500 . 3.300 2.654 2.506 2.987 . 0 0 "[ . 1 . 2]" 1
1247 1 13 ILE HA 1 13 ILE MG 2.700 . 3.600 2.442 2.371 2.505 . 0 0 "[ . 1 . 2]" 1
1248 1 9 ILE HA 1 9 ILE MD 3.700 . 5.400 3.745 3.655 3.779 . 0 0 "[ . 1 . 2]" 1
1249 1 13 ILE HA 1 13 ILE MD 3.500 . 5.000 3.025 1.998 3.801 0.002 20 0 "[ . 1 . 2]" 1
1250 1 13 ILE HA 1 13 ILE HG12 3.500 . 5.000 2.697 2.403 3.046 . 0 0 "[ . 1 . 2]" 1
1251 1 9 ILE HA 1 9 ILE HG12 2.800 . 3.800 2.406 2.355 2.460 . 0 0 "[ . 1 . 2]" 1
1252 1 18 LYS HA 1 18 LYS HG2 2.800 . 3.800 3.271 2.422 3.784 . 0 0 "[ . 1 . 2]" 1
1253 1 8 LEU HA 1 8 LEU HB3 2.100 . 2.700 2.735 2.478 3.021 0.321 15 0 "[ . 1 . 2]" 1
1254 1 18 LYS HA 1 18 LYS QD 2.700 . 3.600 2.149 1.940 3.088 . 0 0 "[ . 1 . 2]" 1
1255 1 17 LEU HA 1 17 LEU HB2 2.700 . 3.600 3.017 3.013 3.021 . 0 0 "[ . 1 . 2]" 1
1256 1 10 ARG HA 1 10 ARG HG3 3.000 . 4.200 3.727 3.629 3.790 . 0 0 "[ . 1 . 2]" 1
1257 1 10 ARG HA 1 10 ARG HG2 2.900 . 3.900 3.893 3.704 4.231 0.331 15 0 "[ . 1 . 2]" 1
1258 1 9 ILE HA 1 12 ALA MB 2.700 . 3.600 2.996 2.422 3.309 . 0 0 "[ . 1 . 2]" 1
1259 1 9 ILE HA 1 9 ILE HG13 2.800 . 3.800 2.681 2.286 2.833 . 0 0 "[ . 1 . 2]" 1
1260 1 13 ILE HA 1 13 ILE HG13 3.000 . 4.100 3.289 2.898 3.713 . 0 0 "[ . 1 . 2]" 1
1261 1 2 PRO HA 1 2 PRO HB3 2.400 . 3.100 2.292 2.264 2.314 . 0 0 "[ . 1 . 2]" 1
1262 1 16 SER HA 1 16 SER HB2 2.300 . 3.000 2.627 2.430 3.029 0.029 12 0 "[ . 1 . 2]" 1
1263 1 21 ARG HA 1 21 ARG QD 3.900 . 5.800 3.637 2.012 4.522 . 0 0 "[ . 1 . 2]" 1
1264 1 19 GLU HA 1 19 GLU QG 3.000 . 4.200 2.752 2.422 2.977 . 0 0 "[ . 1 . 2]" 1
1265 1 3 GLU HA 1 3 GLU QG 2.700 . 3.600 2.861 2.416 3.511 . 0 0 "[ . 1 . 2]" 1
1266 1 20 SER QB 1 24 ALA MB 6.000 . 6.000 4.563 2.012 6.049 0.049 4 0 "[ . 1 . 2]" 1
1267 1 12 ALA MB 1 16 SER HB3 4.200 . 6.000 5.147 4.424 6.068 0.068 17 0 "[ . 1 . 2]" 1
1268 1 15 LEU HA 1 15 LEU QB 2.400 . 3.100 2.365 2.349 2.395 . 0 0 "[ . 1 . 2]" 1
1269 1 10 ARG HA 1 13 ILE HG13 3.300 . 4.600 2.335 2.219 2.496 . 0 0 "[ . 1 . 2]" 1
1270 1 18 LYS QB 1 19 GLU HA 3.700 . 5.400 3.950 3.841 4.148 . 0 0 "[ . 1 . 2]" 1
1271 1 21 ARG HA 1 21 ARG HB2 2.700 . 3.600 2.613 2.420 3.025 . 0 0 "[ . 1 . 2]" 1
1272 1 21 ARG HA 1 21 ARG HB3 2.700 . 3.600 2.768 2.399 3.026 . 0 0 "[ . 1 . 2]" 1
1273 1 18 LYS QD 1 21 ARG HA 2.600 . 6.000 5.528 4.449 6.021 0.021 7 0 "[ . 1 . 2]" 1
1274 1 4 ASP QB 1 5 GLU HA 4.300 . 6.000 4.180 3.816 4.692 . 0 0 "[ . 1 . 2]" 1
1275 1 14 GLU HA 1 14 GLU HB2 2.300 . 3.000 2.822 2.440 3.022 0.022 19 0 "[ . 1 . 2]" 1
1276 1 14 GLU HA 1 14 GLU HB3 3.000 . 4.200 2.664 2.451 3.023 . 0 0 "[ . 1 . 2]" 1
1277 1 10 ARG HA 1 10 ARG QB 2.200 . 2.800 2.167 2.161 2.173 . 0 0 "[ . 1 . 2]" 1
1278 1 10 ARG HA 1 13 ILE HB 2.200 . 2.800 2.180 2.060 2.365 . 0 0 "[ . 1 . 2]" 1
1279 1 5 GLU QG 1 9 ILE MD 3.100 . 4.300 2.928 1.996 4.340 0.040 15 0 "[ . 1 . 2]" 1
1280 1 6 GLU HA 1 9 ILE MD 3.500 . 5.000 3.085 2.517 3.477 . 0 0 "[ . 1 . 2]" 1
1281 1 7 GLU QG 1 11 LYS QG 3.900 . 5.800 4.099 2.398 5.841 0.041 6 0 "[ . 1 . 2]" 1
1282 1 14 GLU HB3 1 14 GLU QG 2.200 . 2.800 2.316 2.163 2.358 . 0 0 "[ . 1 . 2]" 1
1283 1 20 SER HA 1 21 ARG HB2 4.200 . 6.000 5.112 4.485 6.097 0.097 1 0 "[ . 1 . 2]" 1
1284 1 10 ARG QD 1 10 ARG HG3 2.300 . 2.900 2.284 2.172 2.367 . 0 0 "[ . 1 . 2]" 1
1285 1 11 LYS QD 1 11 LYS QE 3.900 . 5.800 2.038 1.999 2.092 0.001 12 0 "[ . 1 . 2]" 1
1286 1 3 GLU HA 1 3 GLU QB 2.400 . 3.100 2.331 2.170 2.401 . 0 0 "[ . 1 . 2]" 1
1287 1 7 GLU QG 1 11 LYS QE 3.100 . 4.300 3.278 1.849 4.368 0.068 1 0 "[ . 1 . 2]" 1
1288 1 9 ILE HA 1 9 ILE HB 3.000 . 4.200 2.965 2.840 2.996 . 0 0 "[ . 1 . 2]" 1
1289 1 14 GLU HA 1 14 GLU QG 2.700 . 3.600 2.646 2.397 2.994 . 0 0 "[ . 1 . 2]" 1
1290 1 5 GLU QB 1 9 ILE MD 3.700 . 5.400 3.973 3.024 5.197 . 0 0 "[ . 1 . 2]" 1
1291 1 3 GLU H 1 4 ASP H 3.400 . 4.800 4.011 2.365 4.621 . 0 0 "[ . 1 . 2]" 1
1292 1 2 PRO HA 1 3 GLU H 2.500 . 3.300 2.357 2.156 3.104 . 0 0 "[ . 1 . 2]" 1
1293 1 3 GLU H 1 3 GLU HA 2.900 . 4.000 2.723 2.269 2.921 . 0 0 "[ . 1 . 2]" 1
1294 1 3 GLU H 1 3 GLU QG 3.100 . 4.300 2.739 1.866 4.042 0.034 15 0 "[ . 1 . 2]" 1
1295 1 3 GLU H 1 3 GLU QB 3.200 . 4.500 2.748 2.245 3.390 . 0 0 "[ . 1 . 2]" 1
1296 1 4 ASP H 1 4 ASP HA 3.000 . 4.100 2.831 2.761 2.924 . 0 0 "[ . 1 . 2]" 1
1297 1 3 GLU HA 1 4 ASP H 2.600 . 3.500 2.345 2.148 3.550 0.050 9 0 "[ . 1 . 2]" 1
1298 1 4 ASP H 1 4 ASP QB 2.600 . 3.400 2.461 2.233 2.755 . 0 0 "[ . 1 . 2]" 1
1299 1 3 GLU QB 1 4 ASP H 3.700 . 5.400 3.214 2.045 3.908 . 0 0 "[ . 1 . 2]" 1
1300 1 5 GLU H 1 6 GLU H 2.600 . 3.400 2.737 2.529 2.855 . 0 0 "[ . 1 . 2]" 1
1301 1 4 ASP HA 1 5 GLU H 2.500 . 6.000 3.456 3.117 3.545 . 0 0 "[ . 1 . 2]" 1
1302 1 5 GLU H 1 5 GLU HA 2.400 . 3.100 2.801 2.776 2.852 . 0 0 "[ . 1 . 2]" 1
1303 1 5 GLU H 1 5 GLU QG 2.900 . 3.900 3.750 2.031 4.015 0.115 19 0 "[ . 1 . 2]" 1
1304 1 5 GLU H 1 5 GLU QB 2.000 . 2.500 2.253 2.188 2.502 0.002 17 0 "[ . 1 . 2]" 1
1305 1 7 GLU H 1 7 GLU HA 2.700 . 3.600 2.798 2.783 2.817 . 0 0 "[ . 1 . 2]" 1
1306 1 7 GLU H 1 8 LEU H 2.400 . 3.100 2.762 2.671 2.878 . 0 0 "[ . 1 . 2]" 1
1307 1 8 LEU H 1 9 ILE H 2.400 . 3.100 2.685 2.584 2.790 . 0 0 "[ . 1 . 2]" 1
1308 1 7 GLU HB3 1 8 LEU H 3.000 . 4.200 2.737 2.345 3.897 . 0 0 "[ . 1 . 2]" 1
1309 1 8 LEU H 1 8 LEU QD 4.100 . 6.000 2.857 1.949 3.710 0.051 7 0 "[ . 1 . 2]" 1
1310 1 7 GLU QG 1 8 LEU H 4.300 . 6.000 3.369 2.011 4.375 . 0 0 "[ . 1 . 2]" 1
1311 1 10 ARG H 1 10 ARG HG2 3.300 . 4.600 2.514 2.015 3.462 . 0 0 "[ . 1 . 2]" 1
1312 1 10 ARG H 1 10 ARG HG3 3.100 . 4.300 2.951 2.014 3.384 . 0 0 "[ . 1 . 2]" 1
1313 1 10 ARG H 1 10 ARG QD 4.700 . 6.000 3.815 3.558 4.183 . 0 0 "[ . 1 . 2]" 1
1314 1 10 ARG H 1 10 ARG HA 2.500 . 3.300 2.813 2.802 2.842 . 0 0 "[ . 1 . 2]" 1
1315 1 9 ILE H 1 9 ILE HA 2.500 . 3.300 2.786 2.759 2.816 . 0 0 "[ . 1 . 2]" 1
1316 1 9 ILE H 1 9 ILE HB 2.000 . 2.500 2.257 2.088 2.365 . 0 0 "[ . 1 . 2]" 1
1317 1 9 ILE H 1 9 ILE HG13 2.300 . 6.000 2.703 2.414 3.497 . 0 0 "[ . 1 . 2]" 1
1318 1 9 ILE H 1 9 ILE HG12 3.300 . 4.700 3.863 3.643 4.357 . 0 0 "[ . 1 . 2]" 1
1319 1 9 ILE H 1 9 ILE MD 3.900 . 5.800 3.783 3.674 4.065 . 0 0 "[ . 1 . 2]" 1
1320 1 10 ARG HA 1 11 LYS H 3.100 . 4.300 3.524 3.478 3.557 . 0 0 "[ . 1 . 2]" 1
1321 1 11 LYS H 1 11 LYS QB 2.100 . 2.600 2.332 2.244 2.443 . 0 0 "[ . 1 . 2]" 1
1322 1 11 LYS H 1 11 LYS QG 3.600 . 5.200 3.157 2.231 4.036 . 0 0 "[ . 1 . 2]" 1
1323 1 12 ALA H 1 12 ALA MB 2.200 . 2.800 2.125 2.036 2.234 . 0 0 "[ . 1 . 2]" 1
1324 1 13 ILE H 1 13 ILE HB 2.900 . 3.900 2.490 2.434 2.537 . 0 0 "[ . 1 . 2]" 1
1325 1 13 ILE H 1 13 ILE HG13 4.100 . 6.000 2.853 2.161 3.669 . 0 0 "[ . 1 . 2]" 1
1326 1 12 ALA MB 1 13 ILE H 3.500 . 5.000 2.724 2.591 2.850 . 0 0 "[ . 1 . 2]" 1
1327 1 12 ALA H 1 13 ILE H 3.200 . 4.500 2.527 2.492 2.564 . 0 0 "[ . 1 . 2]" 1
1328 1 13 ILE H 1 14 GLU H 3.100 . 4.300 2.760 2.650 2.851 . 0 0 "[ . 1 . 2]" 1
1329 1 20 SER H 1 20 SER HA 2.900 . 4.000 2.860 2.785 2.900 . 0 0 "[ . 1 . 2]" 1
1330 1 13 ILE HB 1 14 GLU H 2.200 . 2.800 2.505 2.326 2.695 . 0 0 "[ . 1 . 2]" 1
1331 1 14 GLU HA 1 15 LEU H 2.500 . 6.000 3.552 3.535 3.566 . 0 0 "[ . 1 . 2]" 1
1332 1 14 GLU HB2 1 15 LEU H 2.500 . 3.300 2.974 2.446 3.863 0.563 3 5 "[ *+ -* 1 . * 2]" 1
1333 1 15 LEU H 1 15 LEU HG 2.600 . 3.400 2.186 2.120 2.310 . 0 0 "[ . 1 . 2]" 1
1334 1 15 LEU H 1 15 LEU QD 4.000 . 6.000 3.015 2.941 3.135 . 0 0 "[ . 1 . 2]" 1
1335 1 17 LEU H 1 17 LEU HG 2.600 . 3.400 2.277 2.138 2.393 . 0 0 "[ . 1 . 2]" 1
1336 1 17 LEU H 1 17 LEU MD1 4.400 . 6.000 3.625 3.581 3.665 . 0 0 "[ . 1 . 2]" 1
1337 1 18 LYS QB 1 19 GLU H 2.400 . 3.100 2.517 2.405 2.691 . 0 0 "[ . 1 . 2]" 1
1338 1 21 ARG H 1 21 ARG HA 2.800 . 3.800 2.700 2.265 2.871 . 0 0 "[ . 1 . 2]" 1
1339 1 21 ARG H 1 21 ARG HB2 2.800 . 3.800 2.859 2.367 3.606 . 0 0 "[ . 1 . 2]" 1
1340 1 21 ARG H 1 21 ARG HB3 2.900 . 3.900 3.037 2.445 3.688 . 0 0 "[ . 1 . 2]" 1
1341 1 22 ASN H 1 22 ASN HB3 3.700 . 5.400 3.382 2.492 4.078 . 0 0 "[ . 1 . 2]" 1
1342 1 21 ARG HA 1 22 ASN H 2.900 . 3.900 3.243 2.148 3.575 . 0 0 "[ . 1 . 2]" 1
1343 1 3 GLU QB 1 5 GLU H 3.100 . 4.300 3.307 2.437 4.155 . 0 0 "[ . 1 . 2]" 1
1344 1 8 LEU HB3 1 9 ILE H 3.600 . 5.200 3.055 2.303 3.616 . 0 0 "[ . 1 . 2]" 1
1345 1 16 SER HB3 1 17 LEU H 4.000 . 6.000 3.054 2.407 3.936 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 55
_Distance_constraint_stats_list.Viol_count 116
_Distance_constraint_stats_list.Viol_total 136.893
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0590
_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 5 GLU 0.163 0.070 17 0 "[ . 1 . 2]"
1 8 LEU 0.805 0.130 9 0 "[ . 1 . 2]"
1 9 ILE 4.124 0.241 15 0 "[ . 1 . 2]"
1 11 LYS 0.106 0.042 15 0 "[ . 1 . 2]"
1 12 ALA 0.614 0.152 3 0 "[ . 1 . 2]"
1 13 ILE 0.356 0.040 17 0 "[ . 1 . 2]"
1 15 LEU 0.213 0.079 11 0 "[ . 1 . 2]"
1 16 SER 0.392 0.065 14 0 "[ . 1 . 2]"
1 17 LEU 0.105 0.041 20 0 "[ . 1 . 2]"
1 20 SER 0.063 0.042 20 0 "[ . 1 . 2]"
2 8 LEU 1.193 0.130 9 0 "[ . 1 . 2]"
2 42 ARG 0.097 0.066 3 0 "[ . 1 . 2]"
2 44 ILE 0.309 0.072 15 0 "[ . 1 . 2]"
2 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 ALA 0.155 0.042 20 0 "[ . 1 . 2]"
2 47 GLY 0.013 0.010 5 0 "[ . 1 . 2]"
2 48 LYS 0.203 0.031 19 0 "[ . 1 . 2]"
2 68 HIS 0.513 0.079 11 0 "[ . 1 . 2]"
2 70 VAL 4.289 0.241 15 0 "[ . 1 . 2]"
2 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 LEU 0.073 0.043 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ILE MG 2 47 GLY QA 1.500 . 3.000 1.758 1.519 2.013 . 0 0 "[ . 1 . 2]" 2
2 1 17 LEU HG 2 47 GLY QA 2.000 . 3.000 2.695 1.903 3.010 0.010 5 0 "[ . 1 . 2]" 2
3 1 12 ALA MB 2 70 VAL QG 1.500 . 3.000 2.672 2.157 3.152 0.152 3 0 "[ . 1 . 2]" 2
4 1 8 LEU QB 2 70 VAL QG 2.000 . 4.000 2.212 1.590 2.962 . 0 0 "[ . 1 . 2]" 2
5 1 9 ILE QG 2 70 VAL QG 2.000 . 4.000 1.436 1.318 1.664 . 0 0 "[ . 1 . 2]" 2
6 1 8 LEU HA 2 8 LEU QD 2.000 . 4.000 3.113 2.146 4.004 0.004 6 0 "[ . 1 . 2]" 2
7 1 8 LEU QB 2 8 LEU QD 2.000 . 4.000 2.494 1.544 3.610 . 0 0 "[ . 1 . 2]" 2
8 1 8 LEU HG 2 8 LEU QD 2.000 . 4.000 3.100 1.718 4.018 0.018 7 0 "[ . 1 . 2]" 2
9 1 12 ALA MB 2 8 LEU QD 2.000 . 4.000 2.782 1.679 4.037 0.037 20 0 "[ . 1 . 2]" 2
10 1 8 LEU QB 2 8 LEU QD 2.000 . 4.000 2.837 1.546 4.043 0.043 4 0 "[ . 1 . 2]" 2
11 1 12 ALA MB 2 68 HIS QB 2.000 . 4.000 1.903 1.629 2.205 . 0 0 "[ . 1 . 2]" 2
12 1 13 ILE MD 2 48 LYS HA 2.000 . 4.000 3.854 3.330 4.031 0.031 19 0 "[ . 1 . 2]" 2
13 1 17 LEU QD 2 46 ALA HA 2.000 . 4.000 3.489 2.592 3.936 . 0 0 "[ . 1 . 2]" 2
14 1 5 GLU QG 2 73 LEU QD 2.500 . 5.000 3.693 1.712 5.030 0.030 6 0 "[ . 1 . 2]" 2
15 1 5 GLU QB 2 73 LEU QD 2.000 . 4.000 2.937 1.842 3.842 . 0 0 "[ . 1 . 2]" 2
16 1 13 ILE QG 2 44 ILE MG 2.000 . 4.000 2.608 1.879 3.513 . 0 0 "[ . 1 . 2]" 2
17 1 12 ALA MB 2 44 ILE MG 2.000 . 4.000 2.775 1.934 3.419 . 0 0 "[ . 1 . 2]" 2
18 1 16 SER QB 2 44 ILE MG 2.000 . 4.000 3.280 2.694 3.726 . 0 0 "[ . 1 . 2]" 2
19 1 13 ILE HA 2 44 ILE MG 2.000 . 4.000 2.692 2.247 2.977 . 0 0 "[ . 1 . 2]" 2
20 1 12 ALA MB 2 44 ILE HB 2.000 . 4.000 2.876 2.204 3.292 . 0 0 "[ . 1 . 2]" 2
21 1 13 ILE QG 2 44 ILE MD 2.000 . 4.000 2.595 2.108 3.094 . 0 0 "[ . 1 . 2]" 2
22 1 12 ALA MB 2 44 ILE MD 1.500 . 3.000 2.211 1.792 3.072 0.072 15 0 "[ . 1 . 2]" 2
23 1 9 ILE MG 2 44 ILE MD 1.500 . 3.000 1.938 1.548 2.413 . 0 0 "[ . 1 . 2]" 2
24 1 13 ILE MD 2 44 ILE MD 1.500 . 3.000 2.684 1.950 3.040 0.040 17 0 "[ . 1 . 2]" 2
25 1 16 SER QB 2 68 HIS HD2 2.500 . 4.000 3.094 1.584 4.065 0.065 14 0 "[ . 1 . 2]" 2
26 1 8 LEU QD 2 70 VAL QG 2.000 . 4.000 2.613 1.585 3.896 . 0 0 "[ . 1 . 2]" 2
27 1 8 LEU QD 2 8 LEU QD 2.000 . 4.000 1.854 1.448 2.673 . 0 0 "[ . 1 . 2]" 2
28 1 16 SER QB 2 46 ALA HA 2.000 . 4.000 2.952 2.243 3.510 . 0 0 "[ . 1 . 2]" 2
29 1 16 SER HA 2 46 ALA HA 2.000 . 4.000 3.817 3.256 4.041 0.041 20 0 "[ . 1 . 2]" 2
30 1 8 LEU QD 2 8 LEU HA 2.000 . 4.000 4.017 3.805 4.130 0.130 9 0 "[ . 1 . 2]" 2
31 1 16 SER QB 2 45 PHE HA 2.500 . 4.000 3.359 2.629 3.860 . 0 0 "[ . 1 . 2]" 2
32 1 9 ILE MD 2 70 VAL HB 2.000 . 4.000 3.411 3.026 4.148 0.148 3 0 "[ . 1 . 2]" 2
33 1 5 GLU QG 2 72 ARG HA 2.000 . 4.000 2.856 2.116 3.956 . 0 0 "[ . 1 . 2]" 2
34 1 9 ILE MD 2 42 ARG QB 2.000 . 4.000 3.103 2.462 3.546 . 0 0 "[ . 1 . 2]" 2
35 1 9 ILE HB 2 70 VAL QG 2.500 . 3.000 3.193 3.067 3.241 0.241 15 0 "[ . 1 . 2]" 2
36 1 8 LEU HG 2 70 VAL QG 2.500 . 5.000 3.393 1.868 4.957 . 0 0 "[ . 1 . 2]" 2
37 1 17 LEU QD 2 47 GLY QA 1.500 . 3.000 1.954 1.584 2.347 . 0 0 "[ . 1 . 2]" 2
38 1 11 LYS QE 2 8 LEU QD 2.500 . 5.000 4.327 2.785 5.042 0.042 15 0 "[ . 1 . 2]" 2
39 1 9 ILE MG 2 44 ILE QG 2.000 . 4.000 3.447 3.000 4.023 0.023 1 0 "[ . 1 . 2]" 2
40 1 12 ALA MB 2 44 ILE QG 2.000 . 4.000 3.719 1.775 4.030 0.030 19 0 "[ . 1 . 2]" 2
41 1 13 ILE MG 2 44 ILE MG 2.000 . 4.000 3.719 3.280 4.016 0.016 7 0 "[ . 1 . 2]" 2
42 1 5 GLU HA 2 73 LEU QD 2.500 . 5.000 4.128 2.303 5.043 0.043 4 0 "[ . 1 . 2]" 2
43 1 15 LEU QB 2 68 HIS HE1 2.500 . 5.000 3.044 1.816 3.867 . 0 0 "[ . 1 . 2]" 2
44 1 15 LEU QD 2 68 HIS HE1 2.000 . 4.000 3.362 2.473 4.079 0.079 11 0 "[ . 1 . 2]" 2
45 1 9 ILE MD 2 42 ARG QD 2.000 . 4.000 3.023 1.806 3.992 . 0 0 "[ . 1 . 2]" 2
46 1 13 ILE MD 2 44 ILE MG 2.000 . 4.000 2.587 1.467 3.627 . 0 0 "[ . 1 . 2]" 2
47 1 8 LEU QD 2 8 LEU QB 2.000 . 4.000 2.417 1.533 3.879 . 0 0 "[ . 1 . 2]" 2
48 1 5 GLU QG 2 70 VAL QG 2.000 . 4.000 3.023 1.924 4.070 0.070 17 0 "[ . 1 . 2]" 2
49 1 20 SER QB 2 46 ALA MB 2.000 . 4.000 3.711 3.124 4.042 0.042 20 0 "[ . 1 . 2]" 2
50 1 9 ILE QG 2 42 ARG QD 2.500 . 5.000 4.118 2.721 5.006 0.006 2 0 "[ . 1 . 2]" 2
51 1 8 LEU QD 2 8 LEU HG 2.500 . 5.000 2.555 1.418 4.182 . 0 0 "[ . 1 . 2]" 2
52 1 5 GLU QB 2 70 VAL QG 2.500 . 5.000 3.982 2.680 4.855 . 0 0 "[ . 1 . 2]" 2
53 1 5 GLU HA 2 70 VAL QG 2.000 . 4.000 3.468 2.716 4.020 0.020 19 0 "[ . 1 . 2]" 2
54 1 9 ILE MD 2 42 ARG QG 2.000 . 4.000 3.043 1.803 4.066 0.066 3 0 "[ . 1 . 2]" 2
55 1 12 ALA MB 2 8 LEU HG 2.500 . 5.000 4.587 3.021 5.047 0.047 16 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 418
_Distance_constraint_stats_list.Viol_count 245
_Distance_constraint_stats_list.Viol_total 510.396
_Distance_constraint_stats_list.Viol_max 0.749
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.1042
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.489 0.325 14 0 "[ . 1 . 2]"
1 3 GLU 0.603 0.325 14 0 "[ . 1 . 2]"
1 4 ASP 0.023 0.023 1 0 "[ . 1 . 2]"
1 5 GLU 1.842 0.281 12 0 "[ . 1 . 2]"
1 6 GLU 0.619 0.108 12 0 "[ . 1 . 2]"
1 7 GLU 1.837 0.281 12 0 "[ . 1 . 2]"
1 8 LEU 2.662 0.281 12 0 "[ . 1 . 2]"
1 9 ILE 0.456 0.108 12 0 "[ . 1 . 2]"
1 10 ARG 6.980 0.389 16 0 "[ . 1 . 2]"
1 11 LYS 6.084 0.389 16 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 4.603 0.301 17 0 "[ . 1 . 2]"
1 14 GLU 1.411 0.281 12 0 "[ . 1 . 2]"
1 15 LEU 0.359 0.215 4 0 "[ . 1 . 2]"
1 16 SER 0.341 0.101 12 0 "[ . 1 . 2]"
1 17 LEU 0.423 0.070 7 0 "[ . 1 . 2]"
1 18 LYS 0.724 0.160 20 0 "[ . 1 . 2]"
1 19 GLU 0.374 0.101 12 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.058 0.058 2 0 "[ . 1 . 2]"
1 22 ASN 0.058 0.058 2 0 "[ . 1 . 2]"
1 23 SER 0.058 0.058 2 0 "[ . 1 . 2]"
2 1 MET 0.041 0.041 5 0 "[ . 1 . 2]"
2 2 GLN 0.359 0.321 6 0 "[ . 1 . 2]"
2 3 ILE 0.045 0.041 5 0 "[ . 1 . 2]"
2 4 PHE 1.664 0.360 9 0 "[ . 1 . 2]"
2 5 VAL 0.975 0.245 9 0 "[ . 1 . 2]"
2 6 LYS 0.534 0.231 9 0 "[ . 1 . 2]"
2 7 THR 0.011 0.011 6 0 "[ . 1 . 2]"
2 8 LEU 0.837 0.196 17 0 "[ . 1 . 2]"
2 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LYS 1.181 0.360 9 0 "[ . 1 . 2]"
2 12 THR 2.496 0.360 9 0 "[ . 1 . 2]"
2 13 ILE 3.245 0.360 9 0 "[ . 1 . 2]"
2 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 4.230 0.749 3 1 "[ + . 1 . 2]"
2 16 GLU 2.834 0.661 3 1 "[ + . 1 . 2]"
2 17 VAL 0.821 0.437 20 0 "[ . 1 . 2]"
2 18 GLU 0.678 0.437 20 0 "[ . 1 . 2]"
2 19 SER 0.012 0.012 15 0 "[ . 1 . 2]"
2 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 ASP 0.020 0.020 9 0 "[ . 1 . 2]"
2 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 ILE 0.315 0.063 16 0 "[ . 1 . 2]"
2 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 ASN 0.020 0.020 9 0 "[ . 1 . 2]"
2 26 VAL 0.721 0.221 7 0 "[ . 1 . 2]"
2 27 LYS 1.888 0.303 15 0 "[ . 1 . 2]"
2 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 LYS 4.031 0.749 3 1 "[ + . 1 . 2]"
2 30 ILE 1.011 0.202 2 0 "[ . 1 . 2]"
2 31 GLN 1.183 0.303 15 0 "[ . 1 . 2]"
2 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LYS 2.949 0.749 3 1 "[ + . 1 . 2]"
2 34 GLU 0.033 0.022 14 0 "[ . 1 . 2]"
2 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ILE 0.640 0.202 2 0 "[ . 1 . 2]"
2 37 PRO 1.794 0.419 17 0 "[ . 1 . 2]"
2 38 PRO 0.262 0.098 18 0 "[ . 1 . 2]"
2 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLN 1.794 0.419 17 0 "[ . 1 . 2]"
2 41 GLN 0.296 0.098 18 0 "[ . 1 . 2]"
2 42 ARG 0.172 0.172 20 0 "[ . 1 . 2]"
2 43 LEU 2.136 0.202 2 0 "[ . 1 . 2]"
2 44 ILE 0.020 0.014 7 0 "[ . 1 . 2]"
2 45 PHE 2.951 0.749 3 1 "[ + . 1 . 2]"
2 46 ALA 0.062 0.035 3 0 "[ . 1 . 2]"
2 48 LYS 2.174 0.749 3 1 "[ + . 1 . 2]"
2 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 LEU 0.715 0.124 16 0 "[ . 1 . 2]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 ASP 0.133 0.063 16 0 "[ . 1 . 2]"
2 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 LEU 0.274 0.121 15 0 "[ . 1 . 2]"
2 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 TYR 0.102 0.102 10 0 "[ . 1 . 2]"
2 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 ILE 0.221 0.121 15 0 "[ . 1 . 2]"
2 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 GLU 0.004 0.003 7 0 "[ . 1 . 2]"
2 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 THR 0.123 0.102 14 0 "[ . 1 . 2]"
2 67 LEU 0.148 0.102 10 0 "[ . 1 . 2]"
2 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 LEU 1.107 0.245 9 0 "[ . 1 . 2]"
2 70 VAL 0.976 0.196 17 0 "[ . 1 . 2]"
2 71 LEU 1.055 0.311 18 0 "[ . 1 . 2]"
2 72 ARG 0.943 0.311 18 0 "[ . 1 . 2]"
2 73 LEU 0.035 0.035 15 0 "[ . 1 . 2]"
2 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 MET HB3 2 2 GLN H 3.000 . 4.100 2.933 2.237 3.564 . 0 0 "[ . 1 . 2]" 3
2 2 2 GLN H 2 3 ILE H 3.900 . 5.800 3.856 3.313 4.170 . 0 0 "[ . 1 . 2]" 3
3 2 2 GLN HG3 2 3 ILE H 4.100 . 6.000 4.421 2.933 5.036 . 0 0 "[ . 1 . 2]" 3
4 2 3 ILE H 2 5 VAL MG2 3.500 . 5.000 3.402 2.455 3.871 . 0 0 "[ . 1 . 2]" 3
5 2 4 PHE H 2 5 VAL H 3.900 . 5.800 3.875 3.750 3.980 . 0 0 "[ . 1 . 2]" 3
6 2 17 VAL HB 2 18 GLU H 2.300 . 3.000 2.650 1.609 3.437 0.437 20 0 "[ . 1 . 2]" 3
7 2 3 ILE HG13 2 4 PHE H 3.400 . 4.900 4.013 3.840 4.267 . 0 0 "[ . 1 . 2]" 3
8 2 4 PHE H 2 5 VAL MG2 3.100 . 4.300 3.220 2.252 3.465 . 0 0 "[ . 1 . 2]" 3
9 2 5 VAL H 2 13 ILE HG12 3.900 . 5.800 5.224 4.651 5.789 . 0 0 "[ . 1 . 2]" 3
10 2 3 ILE HG13 2 5 VAL H 3.300 . 4.600 3.916 2.847 4.584 . 0 0 "[ . 1 . 2]" 3
11 2 5 VAL H 2 13 ILE MG 3.900 . 5.800 4.103 3.754 4.445 . 0 0 "[ . 1 . 2]" 3
12 2 7 THR H 2 7 THR HA 2.900 . 3.900 2.811 2.638 2.893 . 0 0 "[ . 1 . 2]" 3
13 2 7 THR H 2 8 LEU MD1 3.700 . 5.500 4.139 3.510 4.736 . 0 0 "[ . 1 . 2]" 3
14 2 8 LEU HB2 2 10 GLY H 5.000 . 6.000 3.998 3.796 4.859 . 0 0 "[ . 1 . 2]" 3
15 2 6 LYS QD 2 10 GLY H 4.700 . 6.000 5.210 2.991 5.998 . 0 0 "[ . 1 . 2]" 3
16 2 10 GLY HA2 2 11 LYS H 2.600 . 3.500 2.503 2.365 2.771 . 0 0 "[ . 1 . 2]" 3
17 2 6 LYS HG2 2 11 LYS H 3.700 . 5.400 3.946 3.060 4.654 . 0 0 "[ . 1 . 2]" 3
18 2 11 LYS HG3 2 12 THR H 3.500 . 5.000 2.873 2.443 3.244 . 0 0 "[ . 1 . 2]" 3
19 2 7 THR MG 2 13 ILE H 3.800 . 5.600 4.939 4.359 5.342 . 0 0 "[ . 1 . 2]" 3
20 2 12 THR MG 2 13 ILE H 2.900 . 4.000 2.822 2.066 3.652 . 0 0 "[ . 1 . 2]" 3
21 2 5 VAL QG 2 13 ILE H 3.600 . 5.200 3.520 2.808 3.841 . 0 0 "[ . 1 . 2]" 3
22 2 13 ILE HG13 2 14 THR H 3.400 . 4.900 3.654 3.507 3.689 . 0 0 "[ . 1 . 2]" 3
23 2 2 GLN HG3 2 15 LEU H 4.400 . 6.000 5.398 3.316 6.321 0.321 6 0 "[ . 1 . 2]" 3
24 2 3 ILE HG12 2 15 LEU H 3.600 . 5.200 3.838 3.678 4.008 . 0 0 "[ . 1 . 2]" 3
25 2 5 VAL MG2 2 15 LEU H 3.300 . 4.700 3.878 3.317 4.169 . 0 0 "[ . 1 . 2]" 3
26 2 15 LEU MD2 2 16 GLU H 2.900 . 3.900 3.111 2.373 3.833 . 0 0 "[ . 1 . 2]" 3
27 2 17 VAL QG 2 20 SER H 4.600 . 6.000 4.792 4.106 5.328 . 0 0 "[ . 1 . 2]" 3
28 2 17 VAL HB 2 21 ASP H 4.100 . 6.000 4.692 4.395 5.575 . 0 0 "[ . 1 . 2]" 3
29 2 17 VAL QG 2 21 ASP H 3.400 . 4.900 4.045 2.866 4.730 . 0 0 "[ . 1 . 2]" 3
30 2 22 THR H 2 25 ASN HA 4.400 . 6.000 5.202 4.865 5.704 . 0 0 "[ . 1 . 2]" 3
31 2 22 THR H 2 23 ILE H 4.400 . 6.000 3.910 3.653 4.099 . 0 0 "[ . 1 . 2]" 3
32 2 22 THR MG 2 23 ILE H 3.700 . 5.400 3.212 3.043 3.313 . 0 0 "[ . 1 . 2]" 3
33 2 21 ASP HA 2 25 ASN H 5.600 . 6.000 5.413 5.128 6.020 0.020 9 0 "[ . 1 . 2]" 3
34 2 15 LEU MD2 2 16 GLU H 3.100 . 4.300 2.937 2.349 3.383 . 0 0 "[ . 1 . 2]" 3
35 2 26 VAL H 2 27 LYS H 2.500 . 3.300 2.407 2.376 2.472 . 0 0 "[ . 1 . 2]" 3
36 2 25 ASN H 2 27 LYS H 3.400 . 4.900 3.779 3.656 3.854 . 0 0 "[ . 1 . 2]" 3
37 2 24 ASP QB 2 27 LYS H 4.400 . 6.000 4.298 3.891 4.716 . 0 0 "[ . 1 . 2]" 3
38 2 26 VAL HB 2 28 SER H 4.700 . 6.000 4.516 4.413 4.665 . 0 0 "[ . 1 . 2]" 3
39 2 15 LEU MD1 2 28 SER H 4.500 . 6.000 5.381 5.164 5.547 . 0 0 "[ . 1 . 2]" 3
40 2 15 LEU MD2 2 28 SER H 4.800 . 6.000 4.679 4.526 4.802 . 0 0 "[ . 1 . 2]" 3
41 2 28 SER HA 2 29 LYS H 2.700 . 3.600 2.713 2.707 2.728 . 0 0 "[ . 1 . 2]" 3
42 2 26 VAL HB 2 29 LYS H 4.400 . 6.000 4.601 4.501 4.649 . 0 0 "[ . 1 . 2]" 3
43 2 27 LYS HB2 2 29 LYS H 3.700 . 5.400 4.026 3.844 4.352 . 0 0 "[ . 1 . 2]" 3
44 2 15 LEU MD2 2 29 LYS H 3.700 . 5.400 4.126 3.921 4.248 . 0 0 "[ . 1 . 2]" 3
45 2 28 SER H 2 30 ILE H 3.400 . 4.800 3.740 3.630 3.831 . 0 0 "[ . 1 . 2]" 3
46 2 27 LYS HD3 2 30 ILE H 3.900 . 5.800 4.065 3.971 4.224 . 0 0 "[ . 1 . 2]" 3
47 2 27 LYS HG2 2 30 ILE H 4.500 . 6.000 4.738 4.694 4.792 . 0 0 "[ . 1 . 2]" 3
48 2 15 LEU HG 2 30 ILE H 4.200 . 6.000 4.279 3.848 5.129 . 0 0 "[ . 1 . 2]" 3
49 2 15 LEU MD2 2 30 ILE H 2.800 . 3.800 2.991 2.861 3.082 . 0 0 "[ . 1 . 2]" 3
50 2 28 SER HA 2 31 GLN H 3.200 . 4.400 3.401 3.257 3.575 . 0 0 "[ . 1 . 2]" 3
51 2 27 LYS QG 2 31 GLN H 4.400 . 6.000 4.608 3.958 5.214 . 0 0 "[ . 1 . 2]" 3
52 2 32 ASP H 2 32 ASP HA 2.500 . 3.300 2.524 2.487 2.557 . 0 0 "[ . 1 . 2]" 3
53 2 28 SER HA 2 32 ASP H 2.800 . 3.800 3.332 3.180 3.438 . 0 0 "[ . 1 . 2]" 3
54 2 31 GLN HB3 2 32 ASP H 2.900 . 4.000 2.475 2.149 3.501 . 0 0 "[ . 1 . 2]" 3
55 2 27 LYS HG3 2 52 ASP H 4.400 . 6.000 4.279 3.470 5.189 . 0 0 "[ . 1 . 2]" 3
56 2 32 ASP HA 2 33 LYS H 2.700 . 3.600 2.745 2.716 2.778 . 0 0 "[ . 1 . 2]" 3
57 2 33 LYS H 2 33 LYS QD 3.700 . 5.400 3.913 1.978 4.280 0.022 14 0 "[ . 1 . 2]" 3
58 2 15 LEU MD2 2 33 LYS H 3.700 . 5.400 4.003 3.624 4.555 . 0 0 "[ . 1 . 2]" 3
59 2 33 LYS HB3 2 34 GLU H 2.600 . 3.500 2.150 1.792 3.170 . 0 0 "[ . 1 . 2]" 3
60 2 32 ASP HA 2 35 GLY H 3.800 . 5.600 4.118 3.903 4.334 . 0 0 "[ . 1 . 2]" 3
61 2 31 GLN HB3 2 35 GLY H 4.200 . 6.000 4.424 4.177 4.767 . 0 0 "[ . 1 . 2]" 3
62 2 31 GLN HG3 2 36 ILE H 3.400 . 4.900 3.175 2.659 4.134 . 0 0 "[ . 1 . 2]" 3
63 2 31 GLN HB3 2 36 ILE H 4.100 . 6.000 4.694 4.066 5.083 . 0 0 "[ . 1 . 2]" 3
64 2 37 PRO HB3 2 39 ASP H 3.500 . 5.000 3.851 3.647 4.344 . 0 0 "[ . 1 . 2]" 3
65 2 37 PRO HB2 2 39 ASP H 2.500 . 3.300 2.548 2.354 2.866 . 0 0 "[ . 1 . 2]" 3
66 2 39 ASP HA 2 40 GLN H 2.700 . 3.600 2.704 2.671 2.728 . 0 0 "[ . 1 . 2]" 3
67 2 37 PRO HD3 2 40 GLN H 4.300 . 6.000 5.021 4.948 5.093 . 0 0 "[ . 1 . 2]" 3
68 2 37 PRO HB3 2 40 GLN H 2.700 . 3.600 2.581 2.184 3.168 . 0 0 "[ . 1 . 2]" 3
69 2 23 ILE HG12 2 51 GLU H 4.000 . 6.000 4.353 3.420 5.955 . 0 0 "[ . 1 . 2]" 3
70 2 39 ASP HA 2 41 GLN H 3.000 . 4.100 3.467 3.360 3.518 . 0 0 "[ . 1 . 2]" 3
71 2 40 GLN HB2 2 41 GLN H 2.700 . 3.600 2.673 2.204 3.301 . 0 0 "[ . 1 . 2]" 3
72 2 41 GLN H 2 69 LEU QD 3.600 . 5.300 3.678 3.096 4.271 . 0 0 "[ . 1 . 2]" 3
73 2 27 LYS HD2 2 43 LEU H 3.500 . 5.100 3.401 3.072 3.751 . 0 0 "[ . 1 . 2]" 3
74 2 42 ARG QG 2 43 LEU H 2.900 . 3.900 3.041 2.397 4.072 0.172 20 0 "[ . 1 . 2]" 3
75 2 42 ARG QB 2 43 LEU H 2.800 . 3.800 3.012 2.444 3.307 . 0 0 "[ . 1 . 2]" 3
76 2 43 LEU H 2 44 ILE H 4.100 . 6.000 3.962 3.939 3.984 . 0 0 "[ . 1 . 2]" 3
77 2 43 LEU HG 2 44 ILE H 4.100 . 6.000 4.197 2.927 4.927 . 0 0 "[ . 1 . 2]" 3
78 2 43 LEU HB2 2 44 ILE H 3.600 . 5.200 3.589 2.668 3.761 . 0 0 "[ . 1 . 2]" 3
79 2 45 PHE H 2 48 LYS QG 3.400 . 4.800 4.159 2.809 4.813 0.013 1 0 "[ . 1 . 2]" 3
80 2 43 LEU H 2 50 LEU H 3.500 . 5.000 3.821 3.729 3.926 . 0 0 "[ . 1 . 2]" 3
81 2 23 ILE HB 2 52 ASP H 2.600 . 3.500 3.284 2.507 3.563 0.063 16 0 "[ . 1 . 2]" 3
82 2 30 ILE HB 2 32 ASP H 3.900 . 5.800 4.286 3.142 4.633 . 0 0 "[ . 1 . 2]" 3
83 2 22 THR MG 2 54 ARG H 4.100 . 6.000 3.247 2.855 3.610 . 0 0 "[ . 1 . 2]" 3
84 2 23 ILE HG12 2 55 THR H 4.000 . 6.000 4.586 3.644 4.869 . 0 0 "[ . 1 . 2]" 3
85 2 56 LEU H 2 58 ASP H 3.300 . 4.700 3.708 3.587 3.792 . 0 0 "[ . 1 . 2]" 3
86 2 57 SER HA 2 58 ASP H 2.800 . 3.700 2.698 2.675 2.731 . 0 0 "[ . 1 . 2]" 3
87 2 57 SER HA 2 59 TYR H 3.000 . 4.100 3.400 3.362 3.435 . 0 0 "[ . 1 . 2]" 3
88 2 23 ILE MD 2 59 TYR H 4.500 . 6.000 4.500 4.239 4.630 . 0 0 "[ . 1 . 2]" 3
89 2 57 SER HA 2 60 ASN H 2.700 . 3.600 3.193 3.047 3.355 . 0 0 "[ . 1 . 2]" 3
90 2 3 ILE MG 2 61 ILE H 4.500 . 6.000 4.537 4.293 4.793 . 0 0 "[ . 1 . 2]" 3
91 2 45 PHE QD 2 62 GLN H 4.100 . 6.000 4.368 4.219 4.498 . 0 0 "[ . 1 . 2]" 3
92 2 62 GLN HB2 2 63 LYS H 2.600 . 3.400 2.757 2.319 3.368 . 0 0 "[ . 1 . 2]" 3
93 2 1 MET HG3 2 64 GLU H 3.400 . 4.800 3.657 3.129 4.052 . 0 0 "[ . 1 . 2]" 3
94 2 62 GLN HB3 2 65 SER H 3.700 . 5.400 4.212 3.434 4.542 . 0 0 "[ . 1 . 2]" 3
95 2 2 GLN HB2 2 65 SER H 4.800 . 6.000 4.590 4.272 4.878 . 0 0 "[ . 1 . 2]" 3
96 2 44 ILE MD 2 68 HIS H 3.200 . 4.500 3.431 3.044 3.810 . 0 0 "[ . 1 . 2]" 3
97 2 8 LEU H 2 69 LEU H 4.200 . 6.000 3.792 2.844 4.340 . 0 0 "[ . 1 . 2]" 3
98 2 44 ILE H 2 69 LEU H 3.900 . 5.800 4.142 3.992 4.281 . 0 0 "[ . 1 . 2]" 3
99 2 6 LYS HA 2 69 LEU H 4.000 . 6.000 4.581 4.340 4.837 . 0 0 "[ . 1 . 2]" 3
100 2 6 LYS HB2 2 69 LEU H 3.600 . 5.200 4.000 3.603 4.206 . 0 0 "[ . 1 . 2]" 3
101 2 5 VAL MG1 2 69 LEU H 3.200 . 4.500 3.513 3.310 3.749 . 0 0 "[ . 1 . 2]" 3
102 2 42 ARG QB 2 70 VAL H 3.700 . 5.400 2.923 2.487 3.462 . 0 0 "[ . 1 . 2]" 3
103 2 69 LEU QD 2 70 VAL H 2.700 . 3.600 2.250 1.736 2.597 0.064 3 0 "[ . 1 . 2]" 3
104 2 44 ILE MD 2 70 VAL H 3.500 . 5.100 2.418 1.908 3.076 . 0 0 "[ . 1 . 2]" 3
105 2 71 LEU HB2 2 72 ARG H 2.400 . 3.100 2.613 2.389 3.411 0.311 18 0 "[ . 1 . 2]" 3
106 2 36 ILE MG 2 72 ARG H 3.500 . 5.000 3.301 3.034 3.809 . 0 0 "[ . 1 . 2]" 3
107 2 69 LEU QD 2 72 ARG H 3.200 . 4.500 3.280 3.007 3.722 . 0 0 "[ . 1 . 2]" 3
108 2 72 ARG HB2 2 73 LEU H 3.300 . 4.600 3.226 2.152 4.243 . 0 0 "[ . 1 . 2]" 3
109 2 72 ARG HB3 2 73 LEU H 2.700 . 3.600 2.852 2.218 3.635 0.035 15 0 "[ . 1 . 2]" 3
110 2 73 LEU HB2 2 74 ARG H 3.000 . 4.100 2.705 1.946 3.883 . 0 0 "[ . 1 . 2]" 3
111 2 8 LEU HG 2 71 LEU H 3.400 . 4.800 3.769 2.557 4.309 . 0 0 "[ . 1 . 2]" 3
112 2 70 VAL QG 2 71 LEU H 2.800 . 3.800 2.170 1.758 2.819 0.042 13 0 "[ . 1 . 2]" 3
113 2 3 ILE MD 2 26 VAL H 4.400 . 6.000 4.668 4.457 4.873 . 0 0 "[ . 1 . 2]" 3
114 2 22 THR H 2 23 ILE H 4.600 . 6.000 3.846 3.735 4.067 . 0 0 "[ . 1 . 2]" 3
115 2 1 MET ME 2 64 GLU H 4.100 . 6.000 3.920 3.469 4.518 . 0 0 "[ . 1 . 2]" 3
116 2 1 MET HG3 2 65 SER H 4.700 . 6.000 5.182 4.653 5.801 . 0 0 "[ . 1 . 2]" 3
117 2 27 LYS HA 2 41 GLN HE21 3.900 . 5.800 3.951 2.838 5.637 . 0 0 "[ . 1 . 2]" 3
118 2 31 GLN HB2 2 41 GLN HE22 3.400 . 4.800 3.351 2.967 3.718 . 0 0 "[ . 1 . 2]" 3
119 2 30 ILE HG13 2 41 GLN HE22 3.900 . 5.800 4.501 2.902 4.970 . 0 0 "[ . 1 . 2]" 3
120 2 30 ILE HG13 2 41 GLN HE21 4.300 . 6.000 4.724 3.094 5.689 . 0 0 "[ . 1 . 2]" 3
121 2 30 ILE MD 2 41 GLN HE22 4.100 . 6.000 3.309 2.431 3.634 . 0 0 "[ . 1 . 2]" 3
122 2 23 ILE HG12 2 50 LEU QD 3.000 . 4.100 3.715 3.359 3.975 . 0 0 "[ . 1 . 2]" 3
123 2 43 LEU QD 2 50 LEU QD 3.200 . 4.500 2.288 1.776 2.939 0.124 16 0 "[ . 1 . 2]" 3
124 2 50 LEU QD 2 59 TYR QD 2.800 . 3.800 2.170 1.698 2.778 0.102 10 0 "[ . 1 . 2]" 3
125 2 1 MET ME 2 17 VAL QG 2.900 . 3.900 3.124 2.399 3.717 . 0 0 "[ . 1 . 2]" 3
126 2 36 ILE MG 2 40 GLN HB2 3.100 . 4.300 3.104 2.611 3.689 . 0 0 "[ . 1 . 2]" 3
127 2 11 LYS HD3 2 13 ILE MG 3.100 . 4.300 3.569 2.612 4.355 0.055 4 0 "[ . 1 . 2]" 3
128 2 1 MET ME 2 19 SER HA 2.600 . 3.500 2.846 2.262 3.390 . 0 0 "[ . 1 . 2]" 3
129 2 1 MET ME 2 17 VAL HB 4.400 . 6.000 4.961 4.183 5.761 . 0 0 "[ . 1 . 2]" 3
130 2 1 MET ME 2 2 GLN HB2 3.000 . 6.000 4.501 3.324 5.451 . 0 0 "[ . 1 . 2]" 3
131 2 15 LEU HG 2 30 ILE MG 2.900 . 4.000 3.320 2.929 3.615 . 0 0 "[ . 1 . 2]" 3
132 2 34 GLU HB2 2 36 ILE MD 3.200 . 4.400 3.554 2.771 4.105 . 0 0 "[ . 1 . 2]" 3
133 2 34 GLU HG2 2 36 ILE MD 4.000 . 6.000 4.550 2.034 4.990 . 0 0 "[ . 1 . 2]" 3
134 2 32 ASP HA 2 32 ASP HB2 2.900 . 3.900 2.361 2.190 2.693 . 0 0 "[ . 1 . 2]" 3
135 2 1 MET ME 2 17 VAL QG 2.300 . 6.000 2.965 2.375 3.630 . 0 0 "[ . 1 . 2]" 3
136 2 1 MET ME 2 3 ILE MG 2.500 . 3.300 2.708 2.199 3.341 0.041 5 0 "[ . 1 . 2]" 3
137 2 5 VAL MG2 2 15 LEU HB3 2.500 . 3.300 2.532 1.898 2.934 . 0 0 "[ . 1 . 2]" 3
138 2 5 VAL MG2 2 15 LEU HB2 2.400 . 3.100 2.189 1.956 2.368 . 0 0 "[ . 1 . 2]" 3
139 2 5 VAL MG2 2 67 LEU HB2 2.300 . 3.000 1.914 1.823 2.017 . 0 0 "[ . 1 . 2]" 3
140 2 5 VAL MG1 2 69 LEU HB2 2.400 . 3.100 2.018 1.899 2.227 . 0 0 "[ . 1 . 2]" 3
141 2 45 PHE HB2 2 61 ILE MD 3.400 . 4.800 4.337 3.859 4.768 . 0 0 "[ . 1 . 2]" 3
142 2 13 ILE MD 2 33 LYS HE3 3.000 . 4.100 3.063 2.340 4.132 0.032 17 0 "[ . 1 . 2]" 3
143 2 29 LYS HE2 2 29 LYS HG2 2.600 . 3.500 2.233 2.039 2.638 . 0 0 "[ . 1 . 2]" 3
144 2 23 ILE MG 2 27 LYS HE3 2.400 . 3.100 1.982 1.638 2.988 0.062 15 0 "[ . 1 . 2]" 3
145 2 27 LYS HB2 2 27 LYS HE3 2.700 . 3.600 2.640 1.792 3.755 0.155 20 0 "[ . 1 . 2]" 3
146 2 15 LEU MD2 2 29 LYS HE3 3.700 . 5.400 3.572 2.387 4.206 . 0 0 "[ . 1 . 2]" 3
147 2 71 LEU HB3 2 71 LEU QD 2.800 . 3.800 1.993 1.869 2.089 . 0 0 "[ . 1 . 2]" 3
148 2 71 LEU HB3 2 71 LEU QD 2.400 . 3.100 2.076 1.960 2.258 . 0 0 "[ . 1 . 2]" 3
149 2 6 LYS QE 2 6 LYS HG2 2.700 . 3.600 2.373 2.128 2.754 . 0 0 "[ . 1 . 2]" 3
150 2 13 ILE MG 2 33 LYS HE3 3.300 . 4.700 3.573 1.959 4.735 0.035 3 0 "[ . 1 . 2]" 3
151 2 4 PHE HB2 2 66 THR MG 2.800 . 3.800 3.139 1.861 3.902 0.102 14 0 "[ . 1 . 2]" 3
152 2 4 PHE HB2 2 12 THR MG 2.800 . 3.700 3.109 2.139 4.060 0.360 9 0 "[ . 1 . 2]" 3
153 2 3 ILE HB 2 3 ILE HG13 2.500 . 3.300 2.279 2.104 2.421 . 0 0 "[ . 1 . 2]" 3
154 2 23 ILE MD 2 26 VAL MG2 2.800 . 3.800 2.803 2.611 3.134 . 0 0 "[ . 1 . 2]" 3
155 2 15 LEU HG 2 26 VAL HA 2.900 . 3.900 3.277 2.552 4.121 0.221 7 0 "[ . 1 . 2]" 3
156 2 17 VAL HB 2 17 VAL QG 2.000 . 2.500 1.758 1.747 1.768 . 0 0 "[ . 1 . 2]" 3
157 2 38 PRO HA 2 38 PRO HG3 2.800 . 3.800 2.638 2.067 3.898 0.098 18 0 "[ . 1 . 2]" 3
158 2 30 ILE HA 2 30 ILE HG13 2.800 . 3.800 2.746 2.412 2.995 . 0 0 "[ . 1 . 2]" 3
159 2 3 ILE MG 2 65 SER HB2 3.200 . 4.500 3.074 1.977 3.735 . 0 0 "[ . 1 . 2]" 3
160 2 2 GLN HB3 2 2 GLN HG2 2.000 . 2.500 2.115 2.017 2.268 . 0 0 "[ . 1 . 2]" 3
161 2 13 ILE MG 2 15 LEU HB2 2.700 . 3.600 3.601 3.503 3.647 0.047 13 0 "[ . 1 . 2]" 3
162 2 26 VAL MG1 2 30 ILE MD 1.700 . 2.200 1.675 1.495 1.813 . 0 0 "[ . 1 . 2]" 3
163 2 3 ILE HB 2 5 VAL MG2 2.500 . 3.300 2.625 1.865 3.051 . 0 0 "[ . 1 . 2]" 3
164 2 71 LEU HB2 2 71 LEU QD 3.000 . 4.100 2.111 1.996 2.282 . 0 0 "[ . 1 . 2]" 3
165 2 71 LEU HB2 2 71 LEU QD 2.700 . 3.600 1.998 1.869 2.061 . 0 0 "[ . 1 . 2]" 3
166 2 23 ILE MD 2 23 ILE MG 2.200 . 2.800 1.968 1.730 2.170 . 0 0 "[ . 1 . 2]" 3
167 2 30 ILE HB 2 30 ILE HG13 2.400 . 3.100 2.194 2.164 2.367 . 0 0 "[ . 1 . 2]" 3
168 2 41 GLN HG3 2 69 LEU QD 3.500 . 5.000 3.412 2.645 3.799 . 0 0 "[ . 1 . 2]" 3
169 2 15 LEU MD2 2 29 LYS HB2 3.000 . 4.100 2.997 2.514 3.238 . 0 0 "[ . 1 . 2]" 3
170 2 1 MET ME 2 19 SER HA 3.100 . 4.300 3.130 2.381 3.806 . 0 0 "[ . 1 . 2]" 3
171 2 15 LEU MD1 2 26 VAL HB 2.600 . 3.500 3.104 2.752 3.390 . 0 0 "[ . 1 . 2]" 3
172 2 26 VAL MG1 2 27 LYS HA 3.200 . 4.400 3.267 3.145 3.343 . 0 0 "[ . 1 . 2]" 3
173 2 27 LYS HB3 2 27 LYS QD 2.300 . 2.900 2.173 2.105 2.308 . 0 0 "[ . 1 . 2]" 3
174 2 56 LEU HA 2 56 LEU MD2 2.400 . 3.100 2.007 1.775 2.159 . 0 0 "[ . 1 . 2]" 3
175 2 3 ILE MG 2 64 GLU HA 3.200 . 4.500 3.485 3.152 4.072 . 0 0 "[ . 1 . 2]" 3
176 2 38 PRO HB2 2 38 PRO HG3 2.700 . 3.600 2.562 2.049 2.951 . 0 0 "[ . 1 . 2]" 3
177 2 27 LYS QD 2 31 GLN HB3 3.700 . 6.000 5.953 4.866 6.303 0.303 15 0 "[ . 1 . 2]" 3
178 2 23 ILE HB 2 52 ASP HA 2.200 . 2.800 1.936 1.654 2.236 . 0 0 "[ . 1 . 2]" 3
179 2 17 VAL HB 2 56 LEU MD1 2.900 . 3.900 2.552 1.914 3.671 . 0 0 "[ . 1 . 2]" 3
180 2 21 ASP QB 2 56 LEU MD1 3.500 . 5.000 3.352 2.414 4.032 . 0 0 "[ . 1 . 2]" 3
181 2 26 VAL MG2 2 56 LEU MD1 2.300 . 3.000 2.304 1.786 2.707 . 0 0 "[ . 1 . 2]" 3
182 2 11 LYS HA 2 11 LYS HD2 2.900 . 4.000 2.253 1.896 2.975 . 0 0 "[ . 1 . 2]" 3
183 2 41 GLN HA 2 69 LEU QD 2.400 . 3.100 2.298 1.807 2.731 . 0 0 "[ . 1 . 2]" 3
184 2 43 LEU HB3 2 43 LEU QD 2.700 . 3.600 1.902 1.826 2.005 . 0 0 "[ . 1 . 2]" 3
185 2 34 GLU HA 2 34 GLU HG3 2.900 . 4.000 2.915 2.356 3.520 . 0 0 "[ . 1 . 2]" 3
186 2 40 GLN HA 2 40 GLN HB3 2.300 . 2.900 2.214 2.060 2.521 . 0 0 "[ . 1 . 2]" 3
187 2 43 LEU HB2 2 67 LEU QD 3.300 . 4.700 3.996 3.472 4.656 . 0 0 "[ . 1 . 2]" 3
188 2 8 LEU HA 2 8 LEU MD1 3.800 . 5.600 2.472 1.804 3.786 0.196 17 0 "[ . 1 . 2]" 3
189 2 72 ARG HA 2 72 ARG HB2 2.600 . 3.400 2.333 2.169 2.693 . 0 0 "[ . 1 . 2]" 3
190 2 2 GLN HG2 2 16 GLU HA 2.600 . 3.500 2.354 1.682 2.498 0.018 9 0 "[ . 1 . 2]" 3
191 2 43 LEU QD 2 69 LEU HA 2.600 . 3.500 2.952 2.499 3.511 0.011 17 0 "[ . 1 . 2]" 3
192 2 7 THR HA 2 69 LEU QD 2.800 . 3.800 2.101 1.816 2.921 . 0 0 "[ . 1 . 2]" 3
193 2 43 LEU QD 2 69 LEU HA 2.800 . 3.800 2.395 1.810 2.979 . 0 0 "[ . 1 . 2]" 3
194 2 69 LEU QD 2 71 LEU HA 3.000 . 4.100 2.125 1.871 2.847 0.029 1 0 "[ . 1 . 2]" 3
195 2 48 LYS HB2 2 48 LYS QG 2.000 . 2.500 1.804 1.784 1.823 . 0 0 "[ . 1 . 2]" 3
196 2 5 VAL MG1 2 69 LEU HA 3.000 . 4.200 2.592 1.841 3.116 . 0 0 "[ . 1 . 2]" 3
197 2 6 LYS HA 2 69 LEU QD 3.700 . 5.400 3.801 2.401 4.415 . 0 0 "[ . 1 . 2]" 3
198 2 3 ILE MD 2 26 VAL MG2 2.200 . 2.800 2.479 2.015 2.716 . 0 0 "[ . 1 . 2]" 3
199 2 17 VAL QG 2 25 ASN HB3 3.000 . 6.000 3.714 2.601 4.622 . 0 0 "[ . 1 . 2]" 3
200 2 5 VAL MG1 2 15 LEU HB3 3.000 . 4.200 3.459 3.165 3.850 . 0 0 "[ . 1 . 2]" 3
201 2 4 PHE HB2 2 12 THR MG 3.000 . 4.100 3.592 2.430 4.331 0.231 9 0 "[ . 1 . 2]" 3
202 2 2 GLN HG3 2 14 THR MG 3.100 . 4.300 3.597 2.143 4.138 . 0 0 "[ . 1 . 2]" 3
203 2 4 PHE HB2 2 66 THR MG 3.100 . 4.300 3.308 1.998 3.869 . 0 0 "[ . 1 . 2]" 3
204 2 4 PHE HB3 2 66 THR MG 3.100 . 4.300 3.043 2.301 3.650 . 0 0 "[ . 1 . 2]" 3
205 2 42 ARG QB 2 70 VAL QG 3.000 . 4.100 2.840 2.130 3.312 . 0 0 "[ . 1 . 2]" 3
206 2 37 PRO HB2 2 38 PRO QD 2.700 . 3.600 2.878 2.634 3.212 . 0 0 "[ . 1 . 2]" 3
207 2 5 VAL MG1 2 6 LYS HB3 2.800 . 3.800 3.163 2.504 3.709 . 0 0 "[ . 1 . 2]" 3
208 2 5 VAL MG1 2 43 LEU HG 2.900 . 4.000 2.467 1.796 3.511 0.004 14 0 "[ . 1 . 2]" 3
209 2 69 LEU HB3 2 69 LEU QD 2.300 . 3.000 2.042 1.888 2.297 . 0 0 "[ . 1 . 2]" 3
210 2 5 VAL MG1 2 30 ILE MD 2.300 . 2.900 2.139 1.863 2.436 . 0 0 "[ . 1 . 2]" 3
211 2 5 VAL MG1 2 7 THR MG 2.400 . 3.100 2.247 1.689 2.840 0.011 6 0 "[ . 1 . 2]" 3
212 2 24 ASP HA 2 27 LYS HB3 3.000 . 4.100 2.973 2.947 2.991 . 0 0 "[ . 1 . 2]" 3
213 2 5 VAL MG1 2 7 THR MG 2.800 . 3.800 3.212 2.612 3.737 . 0 0 "[ . 1 . 2]" 3
214 2 17 VAL QG 2 21 ASP QB 4.000 . 6.000 3.123 2.169 3.665 . 0 0 "[ . 1 . 2]" 3
215 2 5 VAL MG1 2 68 HIS HA 3.800 . 5.600 3.989 3.530 4.442 . 0 0 "[ . 1 . 2]" 3
216 2 13 ILE HA 2 13 ILE HG12 3.100 . 4.300 2.355 2.126 2.862 . 0 0 "[ . 1 . 2]" 3
217 2 27 LYS HB2 2 27 LYS QG 1.700 . 2.200 2.092 2.030 2.122 . 0 0 "[ . 1 . 2]" 3
218 2 41 GLN HA 2 41 GLN HG2 2.900 . 3.900 3.340 2.534 3.691 . 0 0 "[ . 1 . 2]" 3
219 2 11 LYS HA 2 11 LYS HB3 2.600 . 3.500 2.563 2.341 2.694 . 0 0 "[ . 1 . 2]" 3
220 2 33 LYS QD 2 33 LYS QG 1.500 . 2.200 1.973 1.921 2.056 . 0 0 "[ . 1 . 2]" 3
221 2 5 VAL MG1 2 7 THR HA 3.300 . 4.700 3.003 2.244 3.651 . 0 0 "[ . 1 . 2]" 3
222 2 5 VAL HA 2 30 ILE MD 3.500 . 5.000 3.886 3.159 4.600 . 0 0 "[ . 1 . 2]" 3
223 2 3 ILE MD 2 26 VAL HB 3.900 . 5.800 3.652 3.376 3.899 . 0 0 "[ . 1 . 2]" 3
224 2 40 GLN HG2 2 69 LEU QD 3.400 . 4.800 3.624 2.140 4.684 . 0 0 "[ . 1 . 2]" 3
225 2 13 ILE MD 2 34 GLU HG2 3.300 . 4.700 2.854 1.889 3.790 0.011 15 0 "[ . 1 . 2]" 3
226 2 3 ILE MG 2 64 GLU HG2 3.300 . 4.700 3.933 2.554 4.703 0.003 7 0 "[ . 1 . 2]" 3
227 2 23 ILE MD 2 43 LEU HB2 3.600 . 6.000 4.591 4.264 5.428 . 0 0 "[ . 1 . 2]" 3
228 2 23 ILE MD 2 50 LEU HA 3.800 . 5.600 3.330 3.105 3.697 . 0 0 "[ . 1 . 2]" 3
229 2 1 MET ME 2 56 LEU HB3 3.000 . 4.100 2.785 2.491 2.963 . 0 0 "[ . 1 . 2]" 3
230 2 29 LYS HB2 2 29 LYS HE2 3.500 . 5.100 3.333 2.418 3.974 . 0 0 "[ . 1 . 2]" 3
231 2 33 LYS HB2 2 33 LYS HE3 2.900 . 4.000 2.686 1.892 3.003 . 0 0 "[ . 1 . 2]" 3
232 2 42 ARG QB 2 42 ARG HD3 3.100 . 4.300 2.460 2.127 2.844 . 0 0 "[ . 1 . 2]" 3
233 2 72 ARG HB2 2 72 ARG QD 3.200 . 4.400 2.310 2.120 2.811 . 0 0 "[ . 1 . 2]" 3
234 2 3 ILE HB 2 61 ILE MD 3.400 . 4.800 4.141 3.688 4.665 . 0 0 "[ . 1 . 2]" 3
235 2 3 ILE MD 2 61 ILE MD 2.100 . 2.600 1.843 1.618 2.229 . 0 0 "[ . 1 . 2]" 3
236 2 5 VAL MG1 2 69 LEU HB3 2.400 . 3.100 2.087 1.987 2.305 . 0 0 "[ . 1 . 2]" 3
237 2 43 LEU HB3 2 43 LEU HG 2.800 . 3.800 2.722 2.387 2.998 . 0 0 "[ . 1 . 2]" 3
238 2 13 ILE HB 2 30 ILE MG 3.900 . 5.800 4.523 3.606 5.062 . 0 0 "[ . 1 . 2]" 3
239 2 45 PHE QD 2 61 ILE MG 2.700 . 3.600 3.479 2.983 3.721 0.121 15 0 "[ . 1 . 2]" 3
240 2 3 ILE MG 2 61 ILE MG 1.900 . 2.400 2.210 1.874 2.362 . 0 0 "[ . 1 . 2]" 3
241 2 13 ILE HG13 2 30 ILE MG 3.700 . 5.400 5.051 4.142 5.602 0.202 2 0 "[ . 1 . 2]" 3
242 2 17 VAL QG 2 23 ILE MG 1.900 . 6.000 3.843 3.618 4.077 . 0 0 "[ . 1 . 2]" 3
243 2 1 MET HB3 2 17 VAL QG 3.900 . 5.800 4.069 2.321 5.132 . 0 0 "[ . 1 . 2]" 3
244 2 3 ILE MD 2 17 VAL QG 2.200 . 2.800 1.875 1.600 2.194 . 0 0 "[ . 1 . 2]" 3
245 2 50 LEU QD 2 67 LEU QD 2.400 . 3.100 2.108 1.712 2.618 . 0 0 "[ . 1 . 2]" 3
246 2 13 ILE MG 2 34 GLU HB2 2.700 . 6.000 3.351 1.839 3.894 . 0 0 "[ . 1 . 2]" 3
247 2 17 VAL QG 2 26 VAL MG2 2.000 . 2.500 1.754 1.637 1.917 . 0 0 "[ . 1 . 2]" 3
248 2 41 GLN HB3 2 69 LEU QD 2.800 . 3.800 2.317 1.766 2.662 0.034 16 0 "[ . 1 . 2]" 3
249 2 3 ILE HB 2 61 ILE MG 3.800 . 5.600 3.705 3.220 3.986 . 0 0 "[ . 1 . 2]" 3
250 2 13 ILE MG 2 15 LEU MD2 3.200 . 4.500 3.243 2.210 4.296 . 0 0 "[ . 1 . 2]" 3
251 2 15 LEU MD1 2 29 LYS HD3 2.800 . 3.800 2.462 1.986 2.868 . 0 0 "[ . 1 . 2]" 3
252 2 15 LEU MD1 2 29 LYS HG2 3.000 . 4.100 2.306 1.878 2.927 0.022 6 0 "[ . 1 . 2]" 3
253 2 15 LEU MD1 2 16 GLU HB3 3.000 . 4.200 3.848 3.526 4.861 0.661 3 1 "[ + . 1 . 2]" 3
254 2 15 LEU HB2 2 15 LEU MD1 2.500 . 3.300 2.155 1.984 2.286 . 0 0 "[ . 1 . 2]" 3
255 2 36 ILE HB 2 69 LEU QD 3.000 . 4.100 3.217 2.586 3.636 . 0 0 "[ . 1 . 2]" 3
256 2 23 ILE MG 2 50 LEU QD 2.700 . 3.600 2.197 1.752 2.793 0.048 6 0 "[ . 1 . 2]" 3
257 2 15 LEU MD2 2 29 LYS HD2 3.100 . 4.300 2.619 1.832 3.938 0.068 3 0 "[ . 1 . 2]" 3
258 2 16 GLU HB2 2 16 GLU HG3 2.000 . 2.500 2.388 1.994 2.919 0.419 17 0 "[ . 1 . 2]" 3
259 2 50 LEU QD 2 67 LEU HG 3.300 . 4.700 3.606 2.526 4.302 . 0 0 "[ . 1 . 2]" 3
260 2 29 LYS HD3 2 29 LYS HE2 3.200 . 4.500 2.213 2.034 2.333 . 0 0 "[ . 1 . 2]" 3
261 2 17 VAL QG 2 23 ILE HA 3.800 . 5.600 3.958 3.771 4.213 . 0 0 "[ . 1 . 2]" 3
262 2 17 VAL QG 2 19 SER HA 3.300 . 4.600 2.661 1.988 3.555 0.012 15 0 "[ . 1 . 2]" 3
263 2 15 LEU MD1 2 29 LYS HE2 3.200 . 4.500 4.161 2.529 5.249 0.749 3 1 "[ + . 1 . 2]" 3
264 2 23 ILE MG 2 26 VAL MG2 2.700 . 3.600 2.917 2.389 3.419 . 0 0 "[ . 1 . 2]" 3
265 2 15 LEU MD1 2 27 LYS HA 3.300 . 4.700 3.836 3.468 4.165 . 0 0 "[ . 1 . 2]" 3
266 2 66 THR MG 2 67 LEU HA 3.700 . 5.400 3.605 3.303 4.033 . 0 0 "[ . 1 . 2]" 3
267 2 44 ILE MG 2 45 PHE HB2 3.200 . 4.500 2.437 1.886 3.308 0.014 7 0 "[ . 1 . 2]" 3
268 2 55 THR MG 2 56 LEU MD2 3.500 . 5.000 3.543 3.294 4.085 . 0 0 "[ . 1 . 2]" 3
269 2 27 LYS QD 2 30 ILE HA 3.300 . 6.000 5.634 5.574 5.701 . 0 0 "[ . 1 . 2]" 3
270 2 5 VAL HB 2 12 THR MG 3.100 . 4.300 4.312 4.109 4.545 0.245 9 0 "[ . 1 . 2]" 3
271 2 3 ILE HB 2 4 PHE QD 3.600 . 5.200 3.934 3.339 4.233 . 0 0 "[ . 1 . 2]" 3
272 2 31 GLN HG3 2 37 PRO HA 3.600 . 5.200 3.434 2.701 4.990 . 0 0 "[ . 1 . 2]" 3
273 2 1 MET ME 2 2 GLN HA 2.500 . 6.000 4.954 4.507 5.461 . 0 0 "[ . 1 . 2]" 3
274 2 27 LYS HB2 2 38 PRO HB3 2.700 . 3.600 2.676 2.308 3.012 . 0 0 "[ . 1 . 2]" 3
275 2 27 LYS HB3 2 27 LYS QD 2.500 . 3.300 2.263 2.148 2.352 . 0 0 "[ . 1 . 2]" 3
276 2 17 VAL QG 2 56 LEU HB3 3.600 . 5.200 4.034 3.744 4.220 . 0 0 "[ . 1 . 2]" 3
277 2 3 ILE HG13 2 5 VAL MG2 2.900 . 4.000 2.823 2.422 3.067 . 0 0 "[ . 1 . 2]" 3
278 2 69 LEU HB3 2 69 LEU QD 2.400 . 3.100 1.913 1.805 2.024 . 0 0 "[ . 1 . 2]" 3
279 2 23 ILE MG 2 50 LEU HB2 3.700 . 5.500 2.664 1.917 3.096 . 0 0 "[ . 1 . 2]" 3
280 2 5 VAL MG1 2 7 THR HB 4.200 . 6.000 3.518 2.349 4.286 . 0 0 "[ . 1 . 2]" 3
281 2 3 ILE HB 2 17 VAL QG 2.900 . 4.000 2.859 1.931 3.418 . 0 0 "[ . 1 . 2]" 3
282 2 44 ILE MG 2 45 PHE QD 3.600 . 5.200 3.134 2.495 3.710 . 0 0 "[ . 1 . 2]" 3
283 2 23 ILE HG12 2 59 TYR QE 3.300 . 4.700 3.413 3.021 3.986 . 0 0 "[ . 1 . 2]" 3
284 1 2 PRO HD2 1 2 PRO HG2 3.000 . 4.100 2.242 2.224 2.254 . 0 0 "[ . 1 . 2]" 3
285 1 5 GLU HA 1 5 GLU QG 2.400 . 3.100 2.306 2.138 2.679 . 0 0 "[ . 1 . 2]" 3
286 1 5 GLU HA 1 5 GLU QB 1.900 . 2.400 2.207 2.034 2.374 . 0 0 "[ . 1 . 2]" 3
287 1 5 GLU HA 1 5 GLU QB 2.000 . 2.500 2.191 2.055 2.342 . 0 0 "[ . 1 . 2]" 3
288 1 3 GLU QB 1 3 GLU QG 1.800 . 2.200 1.868 1.796 1.947 . 0 0 "[ . 1 . 2]" 3
289 1 11 LYS HA 1 13 ILE HA 3.500 . 5.000 4.708 4.678 4.738 . 0 0 "[ . 1 . 2]" 3
290 1 5 GLU HA 1 5 GLU QB 2.200 . 2.800 2.110 1.961 2.267 . 0 0 "[ . 1 . 2]" 3
291 1 3 GLU QB 1 3 GLU QG 1.800 . 2.200 1.716 1.663 1.750 . 0 0 "[ . 1 . 2]" 3
292 1 5 GLU QB 1 9 ILE MD 3.900 . 5.800 3.649 2.994 4.414 . 0 0 "[ . 1 . 2]" 3
293 1 5 GLU QB 1 8 LEU QD 4.000 . 6.000 3.353 2.516 3.831 . 0 0 "[ . 1 . 2]" 3
294 1 11 LYS HG2 1 14 GLU HB2 3.600 . 5.200 3.895 3.304 4.969 . 0 0 "[ . 1 . 2]" 3
295 1 5 GLU QB 1 8 LEU HB3 3.500 . 5.100 4.045 3.776 4.421 . 0 0 "[ . 1 . 2]" 3
296 1 5 GLU QB 1 9 ILE HG13 3.500 . 5.000 4.045 3.609 4.509 . 0 0 "[ . 1 . 2]" 3
297 1 11 LYS QB 1 11 LYS HG3 2.100 . 2.700 1.955 1.908 1.996 . 0 0 "[ . 1 . 2]" 3
298 1 8 LEU HB3 1 8 LEU QD 2.200 . 2.800 2.014 1.942 2.099 . 0 0 "[ . 1 . 2]" 3
299 1 8 LEU HB2 1 8 LEU HG 1.800 . 2.200 2.181 2.122 2.331 0.131 15 0 "[ . 1 . 2]" 3
300 1 8 LEU HB2 1 8 LEU QD 2.500 . 3.300 2.165 2.031 2.288 . 0 0 "[ . 1 . 2]" 3
301 1 10 ARG QB 1 10 ARG QD 2.500 . 3.300 2.245 2.009 2.491 . 0 0 "[ . 1 . 2]" 3
302 1 8 LEU HA 1 8 LEU HB3 2.300 . 3.000 2.458 2.305 2.660 . 0 0 "[ . 1 . 2]" 3
303 1 10 ARG HA 1 10 ARG HG2 3.700 . 5.400 3.633 3.519 3.906 . 0 0 "[ . 1 . 2]" 3
304 1 5 GLU HA 1 8 LEU HG 2.900 . 3.900 3.217 2.463 3.627 . 0 0 "[ . 1 . 2]" 3
305 1 5 GLU HA 1 8 LEU HB2 2.000 . 2.500 2.079 1.947 2.171 . 0 0 "[ . 1 . 2]" 3
306 1 9 ILE HB 1 9 ILE HG13 2.000 . 2.500 2.190 2.178 2.224 . 0 0 "[ . 1 . 2]" 3
307 1 18 LYS QB 1 18 LYS HD2 2.000 . 2.500 2.140 2.011 2.280 . 0 0 "[ . 1 . 2]" 3
308 1 9 ILE HG13 1 12 ALA MB 2.300 . 6.000 3.918 3.283 4.696 . 0 0 "[ . 1 . 2]" 3
309 1 12 ALA HA 1 15 LEU HB2 2.500 . 3.300 2.216 2.153 2.273 . 0 0 "[ . 1 . 2]" 3
310 1 8 LEU HB2 1 9 ILE HA 3.700 . 5.400 2.933 2.831 2.978 . 0 0 "[ . 1 . 2]" 3
311 1 13 ILE MG 1 14 GLU QG 3.400 . 4.900 3.433 3.228 3.620 . 0 0 "[ . 1 . 2]" 3
312 1 5 GLU QG 1 9 ILE MG 3.200 . 4.500 3.166 1.860 3.770 0.040 6 0 "[ . 1 . 2]" 3
313 1 9 ILE HB 1 9 ILE HG13 2.000 . 2.500 2.012 1.923 2.099 . 0 0 "[ . 1 . 2]" 3
314 1 9 ILE HB 1 9 ILE MG 1.900 . 2.300 1.884 1.867 1.898 . 0 0 "[ . 1 . 2]" 3
315 1 15 LEU QB 1 15 LEU QD 1.800 . 2.200 1.788 1.763 1.809 . 0 0 "[ . 1 . 2]" 3
316 1 13 ILE HG13 1 13 ILE MG 1.900 . 2.400 1.885 1.824 1.945 . 0 0 "[ . 1 . 2]" 3
317 1 9 ILE HB 1 9 ILE MD 2.600 . 3.400 2.211 2.082 2.414 . 0 0 "[ . 1 . 2]" 3
318 1 9 ILE MD 1 9 ILE HG13 2.100 . 2.600 1.869 1.853 1.886 . 0 0 "[ . 1 . 2]" 3
319 1 5 GLU QB 1 8 LEU QD 3.300 . 4.700 3.096 2.272 3.790 . 0 0 "[ . 1 . 2]" 3
320 1 8 LEU HA 1 8 LEU QD 2.100 . 2.700 1.719 1.607 1.980 . 0 0 "[ . 1 . 2]" 3
321 1 10 ARG HA 1 13 ILE MD 3.100 . 4.300 2.255 1.854 2.821 0.046 15 0 "[ . 1 . 2]" 3
322 1 13 ILE MG 1 16 SER HB3 4.500 . 6.000 3.512 3.103 4.040 . 0 0 "[ . 1 . 2]" 3
323 1 6 GLU HA 1 9 ILE MG 2.000 . 2.500 1.925 1.739 2.389 . 0 0 "[ . 1 . 2]" 3
324 1 5 GLU HA 1 8 LEU QD 2.400 . 3.100 1.986 1.785 2.564 . 0 0 "[ . 1 . 2]" 3
325 1 9 ILE MG 1 10 ARG HA 2.400 . 3.100 2.645 2.539 2.766 . 0 0 "[ . 1 . 2]" 3
326 1 5 GLU HA 1 9 ILE MD 2.900 . 4.000 3.045 2.507 3.422 . 0 0 "[ . 1 . 2]" 3
327 1 11 LYS HA 1 11 LYS QG 2.100 . 2.600 2.000 1.964 2.060 . 0 0 "[ . 1 . 2]" 3
328 1 6 GLU HA 1 9 ILE HG13 2.600 . 3.400 2.309 1.873 2.708 . 0 0 "[ . 1 . 2]" 3
329 1 5 GLU HA 1 9 ILE HG13 2.700 . 6.000 3.778 3.362 4.443 . 0 0 "[ . 1 . 2]" 3
330 1 12 ALA HA 1 15 LEU QB 2.300 . 3.000 2.209 2.144 2.268 . 0 0 "[ . 1 . 2]" 3
331 1 7 GLU HA 1 10 ARG HG2 2.900 . 4.000 2.300 2.046 2.724 . 0 0 "[ . 1 . 2]" 3
332 1 15 LEU HB2 1 16 SER HA 2.700 . 3.600 3.004 2.934 3.066 . 0 0 "[ . 1 . 2]" 3
333 1 17 LEU HA 1 17 LEU HB3 2.300 . 3.000 2.429 2.213 2.492 . 0 0 "[ . 1 . 2]" 3
334 1 10 ARG HA 1 10 ARG HG3 2.700 . 3.600 2.731 2.575 2.893 . 0 0 "[ . 1 . 2]" 3
335 1 1 TYR HA 1 2 PRO HG3 3.500 . 5.000 3.221 2.851 3.585 . 0 0 "[ . 1 . 2]" 3
336 1 4 ASP HA 1 5 GLU QG 3.900 . 5.800 4.178 1.977 5.126 0.023 1 0 "[ . 1 . 2]" 3
337 1 3 GLU QB 1 4 ASP HA 3.300 . 4.700 3.463 2.980 4.165 . 0 0 "[ . 1 . 2]" 3
338 1 16 SER HA 1 16 SER HB3 2.400 . 3.100 2.660 2.363 3.019 . 0 0 "[ . 1 . 2]" 3
339 1 3 GLU HA 1 6 GLU HB2 2.700 . 3.600 2.984 2.550 3.377 . 0 0 "[ . 1 . 2]" 3
340 1 5 GLU QB 1 8 LEU HG 3.100 . 4.300 4.041 3.238 4.581 0.281 12 0 "[ . 1 . 2]" 3
341 1 9 ILE MD 1 9 ILE HG13 2.100 . 2.700 1.860 1.849 1.888 . 0 0 "[ . 1 . 2]" 3
342 1 12 ALA HA 1 13 ILE HA 3.000 . 4.200 3.477 2.939 3.996 . 0 0 "[ . 1 . 2]" 3
343 1 8 LEU HA 1 11 LYS QE 3.700 . 5.400 3.047 2.015 3.817 . 0 0 "[ . 1 . 2]" 3
344 1 8 LEU HA 1 8 LEU HB2 1.900 . 2.300 2.102 1.953 2.194 . 0 0 "[ . 1 . 2]" 3
345 1 5 GLU HA 1 8 LEU HG 2.600 . 3.400 2.614 2.314 2.856 . 0 0 "[ . 1 . 2]" 3
346 1 5 GLU QG 1 9 ILE MD 3.500 . 5.000 2.860 1.995 4.189 0.005 18 0 "[ . 1 . 2]" 3
347 1 5 GLU QG 1 9 ILE MG 4.800 . 6.000 3.175 1.860 3.938 0.040 6 0 "[ . 1 . 2]" 3
348 1 5 GLU QG 1 8 LEU QD 4.400 . 6.000 3.263 1.861 4.118 0.039 6 0 "[ . 1 . 2]" 3
349 1 5 GLU QB 1 8 LEU QD 4.300 . 6.000 4.102 2.576 5.204 . 0 0 "[ . 1 . 2]" 3
350 1 5 GLU QG 1 8 LEU MD1 3.300 . 4.600 3.400 1.874 4.274 0.126 6 0 "[ . 1 . 2]" 3
351 1 5 GLU QB 1 8 LEU MD1 3.700 . 5.400 3.698 2.297 5.607 0.207 15 0 "[ . 1 . 2]" 3
352 1 3 GLU QB 1 5 GLU QG 2.800 . 3.800 2.885 1.692 3.770 0.108 12 0 "[ . 1 . 2]" 3
353 1 14 GLU HB3 1 14 GLU QG 2.200 . 2.800 1.908 1.841 1.954 . 0 0 "[ . 1 . 2]" 3
354 1 10 ARG QB 1 13 ILE HA 3.700 . 5.500 5.696 5.637 5.801 0.301 17 0 "[ . 1 . 2]" 3
355 1 1 TYR HA 1 2 PRO HG3 4.600 . 6.000 3.412 2.914 3.888 . 0 0 "[ . 1 . 2]" 3
356 1 11 LYS HA 1 14 GLU QG 3.400 . 4.800 3.441 3.044 3.771 . 0 0 "[ . 1 . 2]" 3
357 1 11 LYS QE 1 11 LYS HG2 3.300 . 4.700 2.357 2.026 2.726 . 0 0 "[ . 1 . 2]" 3
358 1 11 LYS QB 1 11 LYS QE 3.400 . 4.900 2.363 1.740 3.412 0.160 20 0 "[ . 1 . 2]" 3
359 1 16 SER HA 1 18 LYS HB2 3.000 . 4.100 4.069 3.903 4.201 0.101 12 0 "[ . 1 . 2]" 3
360 1 9 ILE MG 1 10 ARG HA 2.600 . 3.400 2.807 2.679 2.987 . 0 0 "[ . 1 . 2]" 3
361 1 5 GLU HA 1 9 ILE HG12 4.600 . 6.000 4.938 4.573 5.359 . 0 0 "[ . 1 . 2]" 3
362 1 6 GLU HA 1 9 ILE HB 2.100 . 2.600 2.540 2.206 2.650 0.050 6 0 "[ . 1 . 2]" 3
363 1 8 LEU QD 1 11 LYS QE 2.800 . 3.800 3.046 1.879 4.015 0.215 4 0 "[ . 1 . 2]" 3
364 1 2 PRO HB2 1 3 GLU H 2.800 . 3.800 2.497 1.475 3.253 0.325 14 0 "[ . 1 . 2]" 3
365 1 3 GLU QB 1 4 ASP H 3.100 . 4.300 3.113 2.041 3.671 . 0 0 "[ . 1 . 2]" 3
366 1 4 ASP QB 1 5 GLU H 2.800 . 3.800 2.619 2.230 3.300 . 0 0 "[ . 1 . 2]" 3
367 1 5 GLU HA 1 6 GLU H 2.900 . 4.000 2.582 2.563 2.611 . 0 0 "[ . 1 . 2]" 3
368 1 5 GLU QG 1 6 GLU H 3.300 . 4.600 2.443 1.927 3.136 0.073 17 0 "[ . 1 . 2]" 3
369 1 5 GLU HB3 1 6 GLU H 2.300 . 3.000 2.073 1.973 2.214 . 0 0 "[ . 1 . 2]" 3
370 1 5 GLU HB3 1 6 GLU H 2.200 . 2.800 2.188 1.980 2.779 . 0 0 "[ . 1 . 2]" 3
371 1 7 GLU HA 1 8 LEU H 3.100 . 4.300 2.698 2.682 2.715 . 0 0 "[ . 1 . 2]" 3
372 1 5 GLU HA 1 8 LEU H 2.600 . 3.400 2.654 2.635 2.688 . 0 0 "[ . 1 . 2]" 3
373 1 7 GLU HB2 1 8 LEU H 3.300 . 4.600 3.580 2.476 3.735 . 0 0 "[ . 1 . 2]" 3
374 1 8 LEU H 1 8 LEU HB2 2.200 . 2.800 2.112 2.024 2.206 . 0 0 "[ . 1 . 2]" 3
375 1 17 LEU H 1 17 LEU HB2 2.300 . 3.000 2.257 2.162 2.305 . 0 0 "[ . 1 . 2]" 3
376 1 8 LEU H 1 8 LEU QD 3.500 . 5.000 2.534 1.930 3.044 0.070 7 0 "[ . 1 . 2]" 3
377 1 8 LEU HB2 1 9 ILE H 2.100 . 2.600 2.130 2.024 2.239 . 0 0 "[ . 1 . 2]" 3
378 1 9 ILE H 1 9 ILE MG 3.300 . 4.600 2.568 1.995 2.916 0.005 1 0 "[ . 1 . 2]" 3
379 1 9 ILE HA 1 10 ARG H 2.900 . 3.900 3.217 3.036 3.277 . 0 0 "[ . 1 . 2]" 3
380 1 9 ILE HG12 1 10 ARG H 4.100 . 6.000 4.723 4.598 4.777 . 0 0 "[ . 1 . 2]" 3
381 1 9 ILE MG 1 10 ARG H 3.100 . 4.300 2.606 2.008 3.000 . 0 0 "[ . 1 . 2]" 3
382 1 10 ARG H 1 11 LYS H 2.100 . 2.600 2.388 2.339 2.440 . 0 0 "[ . 1 . 2]" 3
383 1 8 LEU HA 1 11 LYS H 2.300 . 3.000 2.690 2.662 2.712 . 0 0 "[ . 1 . 2]" 3
384 1 10 ARG HG2 1 11 LYS H 2.600 . 3.500 2.976 2.591 3.889 0.389 16 0 "[ . 1 . 2]" 3
385 1 6 GLU HA 1 7 GLU H 2.300 . 3.000 2.480 2.442 2.499 . 0 0 "[ . 1 . 2]" 3
386 1 14 GLU H 1 14 GLU HA 2.600 . 3.400 2.420 2.339 2.728 . 0 0 "[ . 1 . 2]" 3
387 1 16 SER H 1 16 SER HA 2.300 . 3.000 2.457 2.441 2.474 . 0 0 "[ . 1 . 2]" 3
388 1 14 GLU H 1 14 GLU HB2 2.000 . 2.500 2.138 2.087 2.247 . 0 0 "[ . 1 . 2]" 3
389 1 8 LEU HA 1 11 LYS H 2.200 . 2.800 2.438 2.424 2.451 . 0 0 "[ . 1 . 2]" 3
390 1 15 LEU H 1 15 LEU QB 2.200 . 2.800 2.361 1.917 2.510 . 0 0 "[ . 1 . 2]" 3
391 1 16 SER H 1 17 LEU H 2.800 . 3.800 2.643 2.589 2.722 . 0 0 "[ . 1 . 2]" 3
392 1 16 SER H 1 16 SER HA 2.500 . 3.300 2.631 2.586 2.659 . 0 0 "[ . 1 . 2]" 3
393 1 16 SER H 1 16 SER HB3 2.400 . 3.100 2.190 2.004 2.478 . 0 0 "[ . 1 . 2]" 3
394 1 15 LEU H 1 15 LEU QB 2.400 . 3.100 2.150 1.846 2.267 . 0 0 "[ . 1 . 2]" 3
395 1 13 ILE MG 1 14 GLU H 4.000 . 6.000 2.747 2.665 2.812 . 0 0 "[ . 1 . 2]" 3
396 1 16 SER HA 1 17 LEU H 2.600 . 3.400 2.618 2.606 2.630 . 0 0 "[ . 1 . 2]" 3
397 1 17 LEU H 1 17 LEU HA 2.500 . 3.300 2.491 2.479 2.499 . 0 0 "[ . 1 . 2]" 3
398 1 8 LEU H 1 8 LEU HB3 3.000 . 4.100 2.790 2.405 3.018 . 0 0 "[ . 1 . 2]" 3
399 1 18 LYS H 1 19 GLU H 2.500 . 3.300 2.716 2.602 2.813 . 0 0 "[ . 1 . 2]" 3
400 1 18 LYS HA 1 19 GLU H 2.800 . 3.800 3.429 3.329 3.481 . 0 0 "[ . 1 . 2]" 3
401 1 14 GLU H 1 14 GLU QG 3.000 . 4.100 2.508 1.868 3.594 0.032 15 0 "[ . 1 . 2]" 3
402 1 11 LYS HA 1 14 GLU H 2.900 . 3.900 2.996 2.919 3.044 . 0 0 "[ . 1 . 2]" 3
403 1 16 SER H 1 16 SER HB3 2.500 . 3.300 2.282 2.118 2.557 . 0 0 "[ . 1 . 2]" 3
404 1 20 SER HA 1 21 ARG H 2.700 . 3.600 2.331 1.963 2.719 . 0 0 "[ . 1 . 2]" 3
405 1 20 SER HB3 1 21 ARG H 2.700 . 3.600 2.830 2.412 3.264 . 0 0 "[ . 1 . 2]" 3
406 1 13 ILE HA 1 14 GLU H 4.200 . 6.000 3.234 3.178 3.299 . 0 0 "[ . 1 . 2]" 3
407 1 21 ARG H 1 22 ASN H 2.900 . 4.000 2.613 1.961 4.058 0.058 2 0 "[ . 1 . 2]" 3
408 1 4 ASP HA 1 6 GLU H 4.400 . 6.000 3.382 3.028 3.679 . 0 0 "[ . 1 . 2]" 3
409 1 4 ASP QB 1 6 GLU H 3.700 . 5.500 4.376 3.864 4.708 . 0 0 "[ . 1 . 2]" 3
410 1 5 GLU QG 1 6 GLU H 3.300 . 4.700 2.613 1.932 3.735 . 0 0 "[ . 1 . 2]" 3
411 1 5 GLU HA 1 6 GLU H 3.400 . 4.900 2.700 2.674 2.726 . 0 0 "[ . 1 . 2]" 3
412 1 8 LEU H 1 8 LEU HA 3.400 . 4.900 2.729 2.703 2.756 . 0 0 "[ . 1 . 2]" 3
413 1 14 GLU HA 1 17 LEU H 3.600 . 5.200 3.008 2.419 3.376 . 0 0 "[ . 1 . 2]" 3
414 1 17 LEU H 1 18 LYS HG2 4.000 . 6.000 3.071 2.076 4.562 . 0 0 "[ . 1 . 2]" 3
415 1 13 ILE MG 1 14 GLU H 3.400 . 4.800 3.078 2.919 3.195 . 0 0 "[ . 1 . 2]" 3
416 1 6 GLU HA 1 9 ILE H 2.600 . 3.400 2.566 2.525 2.589 . 0 0 "[ . 1 . 2]" 3
417 1 9 ILE HB 1 10 ARG H 2.100 . 2.600 2.302 2.198 2.491 . 0 0 "[ . 1 . 2]" 3
418 1 9 ILE H 1 9 ILE HG13 3.100 . 4.300 2.684 2.405 3.432 . 0 0 "[ . 1 . 2]" 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 76
_Distance_constraint_stats_list.Viol_count 465
_Distance_constraint_stats_list.Viol_total 288.947
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0311
_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 5 GLU 0.256 0.056 19 0 "[ . 1 . 2]"
1 6 GLU 0.039 0.036 1 0 "[ . 1 . 2]"
1 7 GLU 0.293 0.067 5 0 "[ . 1 . 2]"
1 8 LEU 0.701 0.092 15 0 "[ . 1 . 2]"
1 9 ILE 0.640 0.057 9 0 "[ . 1 . 2]"
1 10 ARG 0.039 0.036 1 0 "[ . 1 . 2]"
1 11 LYS 1.257 0.073 11 0 "[ . 1 . 2]"
1 12 ALA 0.709 0.092 15 0 "[ . 1 . 2]"
1 13 ILE 0.778 0.061 5 0 "[ . 1 . 2]"
1 14 GLU 0.135 0.041 14 0 "[ . 1 . 2]"
1 15 LEU 0.964 0.073 11 0 "[ . 1 . 2]"
1 16 SER 0.008 0.008 6 0 "[ . 1 . 2]"
1 17 LEU 0.393 0.061 5 0 "[ . 1 . 2]"
1 18 LYS 0.135 0.041 14 0 "[ . 1 . 2]"
2 1 MET 0.524 0.068 20 0 "[ . 1 . 2]"
2 2 GLN 0.163 0.035 14 0 "[ . 1 . 2]"
2 3 ILE 0.945 0.097 9 0 "[ . 1 . 2]"
2 4 PHE 1.096 0.091 12 0 "[ . 1 . 2]"
2 5 VAL 1.128 0.130 3 0 "[ . 1 . 2]"
2 6 LYS 0.450 0.059 14 0 "[ . 1 . 2]"
2 7 THR 0.473 0.093 3 0 "[ . 1 . 2]"
2 11 LYS 0.473 0.093 3 0 "[ . 1 . 2]"
2 13 ILE 1.128 0.130 3 0 "[ . 1 . 2]"
2 15 LEU 0.945 0.097 9 0 "[ . 1 . 2]"
2 17 VAL 0.524 0.068 20 0 "[ . 1 . 2]"
2 23 ILE 0.060 0.020 16 0 "[ . 1 . 2]"
2 24 ASP 0.571 0.073 10 0 "[ . 1 . 2]"
2 25 ASN 1.009 0.081 15 0 "[ . 1 . 2]"
2 26 VAL 0.021 0.012 10 0 "[ . 1 . 2]"
2 27 LYS 0.060 0.020 16 0 "[ . 1 . 2]"
2 28 SER 1.180 0.076 15 0 "[ . 1 . 2]"
2 29 LYS 1.309 0.081 15 0 "[ . 1 . 2]"
2 30 ILE 0.056 0.020 2 0 "[ . 1 . 2]"
2 31 GLN 0.699 0.077 13 0 "[ . 1 . 2]"
2 32 ASP 0.609 0.076 15 0 "[ . 1 . 2]"
2 33 LYS 0.300 0.059 14 0 "[ . 1 . 2]"
2 34 GLU 0.035 0.020 2 0 "[ . 1 . 2]"
2 35 GLY 0.699 0.077 13 0 "[ . 1 . 2]"
2 40 GLN 0.108 0.034 16 0 "[ . 1 . 2]"
2 42 ARG 0.520 0.070 5 0 "[ . 1 . 2]"
2 43 LEU 0.601 0.051 17 0 "[ . 1 . 2]"
2 44 ILE 0.693 0.093 6 0 "[ . 1 . 2]"
2 45 PHE 1.270 0.090 18 0 "[ . 1 . 2]"
2 48 LYS 1.270 0.090 18 0 "[ . 1 . 2]"
2 50 LEU 0.601 0.051 17 0 "[ . 1 . 2]"
2 64 GLU 0.163 0.035 14 0 "[ . 1 . 2]"
2 65 SER 1.020 0.091 12 0 "[ . 1 . 2]"
2 67 LEU 0.079 0.025 10 0 "[ . 1 . 2]"
2 68 HIS 0.693 0.093 6 0 "[ . 1 . 2]"
2 69 LEU 0.447 0.059 14 0 "[ . 1 . 2]"
2 70 VAL 0.520 0.070 5 0 "[ . 1 . 2]"
2 72 ARG 0.108 0.034 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 23 ILE O 2 27 LYS H 1.900 . 2.100 2.047 1.957 2.120 0.020 16 0 "[ . 1 . 2]" 4
2 2 23 ILE O 2 27 LYS N 2.900 2.700 3.100 2.972 2.888 3.060 . 0 0 "[ . 1 . 2]" 4
3 2 24 ASP O 2 28 SER H 1.900 . 2.100 2.115 1.972 2.173 0.073 10 0 "[ . 1 . 2]" 4
4 2 24 ASP O 2 28 SER N 2.900 2.700 3.100 3.023 2.881 3.089 . 0 0 "[ . 1 . 2]" 4
5 2 25 ASN O 2 29 LYS H 1.900 . 2.100 2.143 2.078 2.181 0.081 15 0 "[ . 1 . 2]" 4
6 2 25 ASN O 2 29 LYS N 2.900 2.700 3.100 3.091 3.036 3.130 0.030 15 0 "[ . 1 . 2]" 4
7 2 26 VAL O 2 30 ILE H 1.900 . 2.100 2.003 1.882 2.112 0.012 10 0 "[ . 1 . 2]" 4
8 2 26 VAL O 2 30 ILE N 2.900 2.700 3.100 2.955 2.827 3.065 . 0 0 "[ . 1 . 2]" 4
9 2 27 LYS O 2 31 GLN H 1.900 . 2.100 1.917 1.850 1.987 . 0 0 "[ . 1 . 2]" 4
10 2 27 LYS O 2 31 GLN N 2.900 2.700 3.100 2.818 2.746 2.882 . 0 0 "[ . 1 . 2]" 4
11 2 28 SER O 2 32 ASP H 1.900 . 2.100 2.129 2.079 2.176 0.076 15 0 "[ . 1 . 2]" 4
12 2 28 SER O 2 32 ASP N 2.900 2.700 3.100 3.046 2.940 3.110 0.010 15 0 "[ . 1 . 2]" 4
13 2 29 LYS O 2 33 LYS H 1.900 . 2.100 2.089 1.958 2.159 0.059 14 0 "[ . 1 . 2]" 4
14 2 29 LYS O 2 33 LYS N 2.900 2.700 3.100 3.034 2.895 3.107 0.007 14 0 "[ . 1 . 2]" 4
15 2 30 ILE O 2 34 GLU H 1.900 . 2.100 1.987 1.891 2.114 0.014 9 0 "[ . 1 . 2]" 4
16 2 30 ILE O 2 34 GLU N 2.900 2.700 3.100 2.802 2.680 3.000 0.020 2 0 "[ . 1 . 2]" 4
17 2 31 GLN O 2 35 GLY H 1.900 . 2.100 2.129 2.100 2.177 0.077 13 0 "[ . 1 . 2]" 4
18 2 31 GLN O 2 35 GLY N 2.900 2.700 3.100 2.718 2.653 2.769 0.047 17 0 "[ . 1 . 2]" 4
19 2 1 MET O 2 17 VAL H 1.900 . 2.100 2.126 2.094 2.168 0.068 20 0 "[ . 1 . 2]" 4
20 2 1 MET O 2 17 VAL N 2.900 2.700 3.100 3.047 2.940 3.090 . 0 0 "[ . 1 . 2]" 4
21 2 3 ILE O 2 15 LEU H 1.900 . 2.100 2.142 2.086 2.197 0.097 9 0 "[ . 1 . 2]" 4
22 2 3 ILE O 2 15 LEU N 2.900 2.700 3.100 2.793 2.680 2.937 0.020 18 0 "[ . 1 . 2]" 4
23 2 5 VAL O 2 13 ILE H 1.900 . 2.100 2.130 1.888 2.230 0.130 3 0 "[ . 1 . 2]" 4
24 2 5 VAL O 2 13 ILE N 2.900 2.700 3.100 2.986 2.750 3.102 0.002 3 0 "[ . 1 . 2]" 4
25 2 7 THR H 2 11 LYS O 1.900 . 2.100 2.085 1.928 2.193 0.093 3 0 "[ . 1 . 2]" 4
26 2 7 THR N 2 11 LYS O 2.900 2.700 3.100 2.977 2.836 3.129 0.029 3 0 "[ . 1 . 2]" 4
27 2 5 VAL H 2 13 ILE O 1.900 . 2.100 1.983 1.869 2.133 0.033 20 0 "[ . 1 . 2]" 4
28 2 5 VAL N 2 13 ILE O 2.900 2.700 3.100 2.876 2.653 3.076 0.047 20 0 "[ . 1 . 2]" 4
29 2 3 ILE H 2 15 LEU O 1.900 . 2.100 2.027 1.902 2.124 0.024 5 0 "[ . 1 . 2]" 4
30 2 3 ILE N 2 15 LEU O 2.900 2.700 3.100 2.912 2.816 3.090 . 0 0 "[ . 1 . 2]" 4
31 2 2 GLN O 2 64 GLU H 1.900 . 2.100 2.023 1.856 2.135 0.035 14 0 "[ . 1 . 2]" 4
32 2 2 GLN O 2 64 GLU N 2.900 2.700 3.100 2.828 2.679 3.033 0.021 12 0 "[ . 1 . 2]" 4
33 2 4 PHE O 2 67 LEU H 1.900 . 2.100 2.034 1.946 2.125 0.025 10 0 "[ . 1 . 2]" 4
34 2 4 PHE O 2 67 LEU N 2.900 2.700 3.100 2.900 2.707 3.037 . 0 0 "[ . 1 . 2]" 4
35 2 6 LYS O 2 69 LEU H 1.900 . 2.100 2.107 2.023 2.159 0.059 14 0 "[ . 1 . 2]" 4
36 2 6 LYS O 2 69 LEU N 2.900 2.700 3.100 2.857 2.673 3.022 0.027 16 0 "[ . 1 . 2]" 4
37 2 4 PHE H 2 65 SER O 1.900 . 2.100 2.151 2.115 2.191 0.091 12 0 "[ . 1 . 2]" 4
38 2 4 PHE N 2 65 SER O 2.900 2.700 3.100 2.913 2.695 3.085 0.005 20 0 "[ . 1 . 2]" 4
39 2 6 LYS H 2 67 LEU O 1.900 . 2.100 1.958 1.838 2.103 0.003 2 0 "[ . 1 . 2]" 4
40 2 6 LYS N 2 67 LEU O 2.900 2.700 3.100 2.847 2.713 3.050 . 0 0 "[ . 1 . 2]" 4
41 2 40 GLN O 2 72 ARG H 1.900 . 2.100 2.056 1.963 2.134 0.034 16 0 "[ . 1 . 2]" 4
42 2 40 GLN O 2 72 ARG N 2.900 2.700 3.100 2.906 2.753 3.078 . 0 0 "[ . 1 . 2]" 4
43 2 42 ARG O 2 70 VAL H 1.900 . 2.100 2.081 1.976 2.152 0.052 11 0 "[ . 1 . 2]" 4
44 2 42 ARG O 2 70 VAL N 2.900 2.700 3.100 2.885 2.720 3.015 . 0 0 "[ . 1 . 2]" 4
45 2 44 ILE O 2 68 HIS H 1.900 . 2.100 2.127 2.035 2.193 0.093 6 0 "[ . 1 . 2]" 4
46 2 44 ILE O 2 68 HIS N 2.900 2.700 3.100 2.978 2.844 3.125 0.025 15 0 "[ . 1 . 2]" 4
47 2 44 ILE H 2 68 HIS O 1.900 . 2.100 1.981 1.794 2.122 0.022 2 0 "[ . 1 . 2]" 4
48 2 44 ILE N 2 68 HIS O 2.900 2.700 3.100 2.797 2.695 2.934 0.005 13 0 "[ . 1 . 2]" 4
49 2 42 ARG H 2 70 VAL O 1.900 . 2.100 2.100 1.923 2.170 0.070 5 0 "[ . 1 . 2]" 4
50 2 42 ARG N 2 70 VAL O 2.900 2.700 3.100 2.845 2.743 3.017 . 0 0 "[ . 1 . 2]" 4
51 2 43 LEU O 2 50 LEU H 1.900 . 2.100 2.126 2.092 2.151 0.051 17 0 "[ . 1 . 2]" 4
52 2 43 LEU O 2 50 LEU N 2.900 2.700 3.100 3.061 2.958 3.129 0.029 6 0 "[ . 1 . 2]" 4
53 2 45 PHE O 2 48 LYS H 1.900 . 2.100 2.152 2.128 2.190 0.090 18 0 "[ . 1 . 2]" 4
54 2 45 PHE O 2 48 LYS N 2.900 2.700 3.100 2.873 2.786 3.066 . 0 0 "[ . 1 . 2]" 4
55 2 45 PHE H 2 48 LYS O 1.900 . 2.100 2.092 2.028 2.141 0.041 8 0 "[ . 1 . 2]" 4
56 2 45 PHE N 2 48 LYS O 2.900 2.700 3.100 3.033 2.973 3.120 0.020 18 0 "[ . 1 . 2]" 4
57 1 5 GLU O 1 9 ILE H 1.900 . 2.100 2.052 1.868 2.156 0.056 19 0 "[ . 1 . 2]" 4
58 1 5 GLU O 1 9 ILE N 2.900 2.700 3.100 3.004 2.816 3.132 0.032 5 0 "[ . 1 . 2]" 4
59 1 6 GLU O 1 10 ARG H 1.900 . 2.100 1.999 1.873 2.136 0.036 1 0 "[ . 1 . 2]" 4
60 1 6 GLU O 1 10 ARG N 2.900 2.700 3.100 2.969 2.828 3.097 . 0 0 "[ . 1 . 2]" 4
61 1 7 GLU O 1 11 LYS H 1.900 . 2.100 2.068 1.858 2.167 0.067 5 0 "[ . 1 . 2]" 4
62 1 7 GLU O 1 11 LYS N 2.900 2.700 3.100 2.944 2.747 3.089 . 0 0 "[ . 1 . 2]" 4
63 1 8 LEU O 1 12 ALA H 1.900 . 2.100 2.124 2.020 2.192 0.092 15 0 "[ . 1 . 2]" 4
64 1 8 LEU O 1 12 ALA N 2.900 2.700 3.100 3.050 2.945 3.110 0.010 2 0 "[ . 1 . 2]" 4
65 1 9 ILE O 1 13 ILE H 1.900 . 2.100 2.104 1.962 2.157 0.057 9 0 "[ . 1 . 2]" 4
66 1 9 ILE O 1 13 ILE N 2.900 2.700 3.100 2.939 2.753 3.054 . 0 0 "[ . 1 . 2]" 4
67 1 10 ARG O 1 14 GLU H 1.900 . 2.100 1.908 1.840 2.012 . 0 0 "[ . 1 . 2]" 4
68 1 10 ARG O 1 14 GLU N 2.900 2.700 3.100 2.833 2.729 2.931 . 0 0 "[ . 1 . 2]" 4
69 1 11 LYS O 1 15 LEU H 1.900 . 2.100 2.138 2.070 2.173 0.073 11 0 "[ . 1 . 2]" 4
70 1 11 LYS O 1 15 LEU N 2.900 2.700 3.100 3.101 3.034 3.145 0.045 11 0 "[ . 1 . 2]" 4
71 1 12 ALA O 1 16 SER H 1.900 . 2.100 2.004 1.921 2.108 0.008 6 0 "[ . 1 . 2]" 4
72 1 12 ALA O 1 16 SER N 2.900 2.700 3.100 2.927 2.854 3.032 . 0 0 "[ . 1 . 2]" 4
73 1 13 ILE O 1 17 LEU H 1.900 . 2.100 2.114 2.053 2.161 0.061 5 0 "[ . 1 . 2]" 4
74 1 13 ILE O 1 17 LEU N 2.900 2.700 3.100 3.055 2.988 3.110 0.010 5 0 "[ . 1 . 2]" 4
75 1 14 GLU O 1 18 LYS H 1.900 . 2.100 2.072 1.977 2.141 0.041 14 0 "[ . 1 . 2]" 4
76 1 14 GLU O 1 18 LYS N 2.900 2.700 3.100 3.007 2.904 3.087 . 0 0 "[ . 1 . 2]" 4
stop_
save_
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