NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399179 |
1tvm   |
6259 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tvm
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 1077
_Distance_constraint_stats_list.Viol_count 328
_Distance_constraint_stats_list.Viol_total 236.208
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0360
_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 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLN 0.008 0.008 14 0 "[ . 1 . 2]"
1 19 GLY 0.008 0.008 14 0 "[ . 1 . 2]"
1 20 SER 0.014 0.014 17 0 "[ . 1 . 2]"
1 21 LYS 0.121 0.041 4 0 "[ . 1 . 2]"
1 22 ARG 0.102 0.042 4 0 "[ . 1 . 2]"
1 23 LYS 0.488 0.052 7 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.449 0.077 2 0 "[ . 1 . 2]"
1 26 VAL 1.155 0.137 12 0 "[ . 1 . 2]"
1 27 ALA 0.047 0.027 19 0 "[ . 1 . 2]"
1 28 CYS 0.815 0.087 7 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.034 0.034 8 0 "[ . 1 . 2]"
1 32 VAL 0.017 0.017 17 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.051 0.034 8 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.252 0.056 1 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.033 0.033 4 0 "[ . 1 . 2]"
1 42 ILE 0.177 0.042 9 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.034 0.034 17 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.034 0.034 17 0 "[ . 1 . 2]"
1 47 GLN 0.064 0.044 6 0 "[ . 1 . 2]"
1 48 SER 0.033 0.033 2 0 "[ . 1 . 2]"
1 49 HIS 0.018 0.018 1 0 "[ . 1 . 2]"
1 50 ASN 0.064 0.044 6 0 "[ . 1 . 2]"
1 51 ILE 0.052 0.033 2 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.209 0.042 4 0 "[ . 1 . 2]"
1 55 LEU 0.391 0.070 3 0 "[ . 1 . 2]"
1 56 ILE 1.271 0.137 12 0 "[ . 1 . 2]"
1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.161 0.078 3 0 "[ . 1 . 2]"
1 59 ARG 1.204 0.087 7 0 "[ . 1 . 2]"
1 60 VAL 0.226 0.079 4 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.859 0.071 3 0 "[ . 1 . 2]"
1 63 ILE 1.076 0.077 2 0 "[ . 1 . 2]"
1 64 GLU 0.386 0.085 6 0 "[ . 1 . 2]"
1 65 THR 0.012 0.012 14 0 "[ . 1 . 2]"
1 66 TYR 0.539 0.071 3 0 "[ . 1 . 2]"
1 67 MET 0.920 0.104 6 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.899 0.104 6 0 "[ . 1 . 2]"
1 71 HIS 0.055 0.028 9 0 "[ . 1 . 2]"
1 72 LEU 0.048 0.028 9 0 "[ . 1 . 2]"
1 73 ILE 2.374 0.207 12 0 "[ . 1 . 2]"
1 74 CYS 0.052 0.043 18 0 "[ . 1 . 2]"
1 75 THR 0.363 0.116 4 0 "[ . 1 . 2]"
1 76 THR 0.085 0.037 19 0 "[ . 1 . 2]"
1 77 ALA 0.129 0.037 19 0 "[ . 1 . 2]"
1 78 ARG 0.260 0.102 19 0 "[ . 1 . 2]"
1 79 VAL 0.167 0.040 14 0 "[ . 1 . 2]"
1 80 ASP 0.185 0.032 15 0 "[ . 1 . 2]"
1 81 ARG 0.058 0.021 2 0 "[ . 1 . 2]"
1 82 SER 0.017 0.017 5 0 "[ . 1 . 2]"
1 83 PHE 0.400 0.074 20 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASP 0.958 0.105 15 0 "[ . 1 . 2]"
1 86 ILE 1.604 0.207 12 0 "[ . 1 . 2]"
1 87 PRO 0.998 0.105 15 0 "[ . 1 . 2]"
1 88 LEU 0.191 0.074 20 0 "[ . 1 . 2]"
1 89 VAL 0.412 0.089 13 0 "[ . 1 . 2]"
1 90 HIS 0.300 0.102 19 0 "[ . 1 . 2]"
1 91 GLY 0.190 0.065 4 0 "[ . 1 . 2]"
1 92 MET 0.071 0.033 18 0 "[ . 1 . 2]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PHE 0.576 0.063 18 0 "[ . 1 . 2]"
1 95 VAL 0.119 0.051 8 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLY 0.307 0.063 18 0 "[ . 1 . 2]"
1 98 VAL 0.009 0.009 12 0 "[ . 1 . 2]"
1 99 GLY 0.009 0.009 12 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.283 0.065 4 0 "[ . 1 . 2]"
1 104 GLN 0.035 0.018 15 0 "[ . 1 . 2]"
1 105 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LYS 0.214 0.100 4 0 "[ . 1 . 2]"
1 107 ILE 0.271 0.100 4 0 "[ . 1 . 2]"
1 108 LEU 0.082 0.057 8 0 "[ . 1 . 2]"
1 109 THR 0.014 0.014 2 0 "[ . 1 . 2]"
1 110 ILE 0.046 0.046 5 0 "[ . 1 . 2]"
1 111 LEU 0.290 0.070 3 0 "[ . 1 . 2]"
1 112 GLN 0.094 0.048 18 0 "[ . 1 . 2]"
1 113 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 1 12 HIS HA 1 13 GLU H 3.000 . 5.600 2.823 2.141 3.579 . 0 0 "[ . 1 . 2]" 1
2 1 12 HIS QB 1 13 GLU H 3.000 . 6.000 3.051 1.917 4.011 . 0 0 "[ . 1 . 2]" 1
3 1 13 GLU H 1 13 GLU HA 3.000 . 5.600 2.643 2.261 2.948 . 0 0 "[ . 1 . 2]" 1
4 1 13 GLU H 1 13 GLU HB3 3.000 . 5.600 3.514 2.758 4.105 . 0 0 "[ . 1 . 2]" 1
5 1 13 GLU H 1 13 GLU HB2 3.000 . 5.600 2.965 2.158 3.939 . 0 0 "[ . 1 . 2]" 1
6 1 13 GLU H 1 13 GLU QG 3.000 . 6.000 3.493 1.969 4.269 . 0 0 "[ . 1 . 2]" 1
7 1 14 ASN H 1 14 ASN HA 3.000 . 5.600 2.764 2.268 2.948 . 0 0 "[ . 1 . 2]" 1
8 1 14 ASN H 1 14 ASN HB3 3.000 . 5.600 3.356 2.586 4.078 . 0 0 "[ . 1 . 2]" 1
9 1 14 ASN H 1 14 ASN HB2 3.000 . 5.600 2.892 2.067 3.750 . 0 0 "[ . 1 . 2]" 1
10 1 14 ASN H 1 15 LEU H 3.000 . 5.600 3.636 2.225 4.587 . 0 0 "[ . 1 . 2]" 1
11 1 15 LEU H 1 15 LEU QB 3.000 . 5.000 2.584 2.065 3.217 . 0 0 "[ . 1 . 2]" 1
12 1 15 LEU H 1 15 LEU HA 3.000 . 5.600 2.741 2.271 2.947 . 0 0 "[ . 1 . 2]" 1
13 1 15 LEU H 1 15 LEU MD1 3.000 . 6.000 3.933 2.687 4.842 . 0 0 "[ . 1 . 2]" 1
14 1 16 TYR H 1 16 TYR HA 3.000 . 4.600 2.807 2.268 2.945 . 0 0 "[ . 1 . 2]" 1
15 1 16 TYR H 1 16 TYR QB 3.000 . 5.000 2.622 2.082 3.237 . 0 0 "[ . 1 . 2]" 1
16 1 16 TYR H 1 16 TYR QD 3.000 . 6.600 3.702 2.026 4.544 . 0 0 "[ . 1 . 2]" 1
17 1 16 TYR QD 1 17 PHE H 3.000 . 6.600 4.082 2.044 4.910 . 0 0 "[ . 1 . 2]" 1
18 1 17 PHE H 1 17 PHE QD 3.000 . 6.600 3.502 1.982 4.512 . 0 0 "[ . 1 . 2]" 1
19 1 17 PHE H 1 17 PHE HA 3.000 . 4.600 2.776 2.264 2.946 . 0 0 "[ . 1 . 2]" 1
20 1 17 PHE H 1 17 PHE HB3 3.000 . 4.600 3.509 2.747 4.126 . 0 0 "[ . 1 . 2]" 1
21 1 17 PHE H 1 17 PHE HB2 3.000 . 4.600 2.918 2.081 3.773 . 0 0 "[ . 1 . 2]" 1
22 1 17 PHE HA 1 18 GLN H 3.000 . 4.600 2.709 2.186 3.568 . 0 0 "[ . 1 . 2]" 1
23 1 17 PHE QB 1 18 GLN H 3.000 . 6.000 3.364 2.080 4.032 . 0 0 "[ . 1 . 2]" 1
24 1 17 PHE QD 1 18 GLN H 3.000 . 6.600 3.935 2.675 4.877 . 0 0 "[ . 1 . 2]" 1
25 1 17 PHE H 1 18 GLN H 3.000 . 5.600 3.232 1.956 4.623 . 0 0 "[ . 1 . 2]" 1
26 1 17 PHE HA 1 19 GLY H 3.000 . 5.600 4.442 3.056 5.537 . 0 0 "[ . 1 . 2]" 1
27 1 18 GLN H 1 18 GLN HA 3.000 . 5.600 2.811 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
28 1 18 GLN H 1 18 GLN HG2 3.000 . 5.600 3.910 1.836 5.298 . 0 0 "[ . 1 . 2]" 1
29 1 18 GLN H 1 18 GLN HG3 3.000 . 5.600 3.809 2.014 4.881 . 0 0 "[ . 1 . 2]" 1
30 1 18 GLN H 1 18 GLN QB 3.000 . 6.000 2.632 2.125 3.479 . 0 0 "[ . 1 . 2]" 1
31 1 18 GLN HA 1 19 GLY H 3.000 . 4.600 2.843 2.141 3.571 . 0 0 "[ . 1 . 2]" 1
32 1 18 GLN QB 1 19 GLY H 3.000 . 6.000 3.443 1.922 4.024 . 0 0 "[ . 1 . 2]" 1
33 1 18 GLN HG3 1 19 GLY H 3.000 . 5.600 4.779 3.565 5.608 0.008 14 0 "[ . 1 . 2]" 1
34 1 18 GLN HG2 1 19 GLY H 3.000 . 5.600 4.551 2.532 5.430 . 0 0 "[ . 1 . 2]" 1
35 1 18 GLN H 1 19 GLY H 3.000 . 5.600 2.992 1.970 4.299 . 0 0 "[ . 1 . 2]" 1
36 1 19 GLY QA 1 20 SER H 3.000 . 5.000 2.344 2.101 2.785 . 0 0 "[ . 1 . 2]" 1
37 1 19 GLY H 1 20 SER H 3.000 . 5.600 3.421 2.232 4.556 . 0 0 "[ . 1 . 2]" 1
38 1 20 SER H 1 20 SER HA 3.000 . 5.600 2.785 2.274 2.947 . 0 0 "[ . 1 . 2]" 1
39 1 20 SER H 1 20 SER QB 3.000 . 6.000 2.966 2.233 3.475 . 0 0 "[ . 1 . 2]" 1
40 1 20 SER HA 1 21 LYS H 3.000 . 4.600 2.722 2.146 3.567 . 0 0 "[ . 1 . 2]" 1
41 1 20 SER QB 1 21 LYS H 3.000 . 5.000 2.904 1.968 3.929 . 0 0 "[ . 1 . 2]" 1
42 1 20 SER H 1 21 LYS H 3.000 . 5.600 3.667 1.807 4.573 . 0 0 "[ . 1 . 2]" 1
43 1 20 SER H 1 21 LYS HA 3.000 . 5.600 4.814 4.075 5.614 0.014 17 0 "[ . 1 . 2]" 1
44 1 21 LYS H 1 21 LYS HA 3.000 . 5.600 2.866 2.281 2.945 . 0 0 "[ . 1 . 2]" 1
45 1 21 LYS H 1 21 LYS QD 3.000 . 6.000 4.705 3.848 5.195 . 0 0 "[ . 1 . 2]" 1
46 1 21 LYS H 1 21 LYS QG 3.000 . 6.000 3.758 2.441 4.332 . 0 0 "[ . 1 . 2]" 1
47 1 21 LYS H 1 21 LYS QB 3.000 . 5.000 2.748 2.353 3.089 . 0 0 "[ . 1 . 2]" 1
48 1 21 LYS HA 1 22 ARG H 3.000 . 4.600 3.551 3.435 3.582 . 0 0 "[ . 1 . 2]" 1
49 1 21 LYS H 1 22 ARG H 3.000 . 5.600 2.768 2.112 3.645 . 0 0 "[ . 1 . 2]" 1
50 1 21 LYS H 1 54 GLU QB 3.000 . 6.000 5.849 5.284 6.041 0.041 4 0 "[ . 1 . 2]" 1
51 1 21 LYS H 1 54 GLU QG 3.000 . 6.000 4.061 3.642 4.899 . 0 0 "[ . 1 . 2]" 1
52 1 22 ARG H 1 22 ARG HB3 3.000 . 5.600 3.631 2.920 3.828 . 0 0 "[ . 1 . 2]" 1
53 1 22 ARG H 1 22 ARG HB2 3.000 . 5.600 2.963 2.534 3.765 . 0 0 "[ . 1 . 2]" 1
54 1 22 ARG H 1 22 ARG HG3 3.000 . 5.600 3.008 2.524 3.722 . 0 0 "[ . 1 . 2]" 1
55 1 22 ARG HA 1 23 LYS H 3.000 . 4.600 2.287 2.234 2.355 . 0 0 "[ . 1 . 2]" 1
56 1 22 ARG H 1 23 LYS H 3.000 . 5.600 4.478 4.441 4.515 . 0 0 "[ . 1 . 2]" 1
57 1 22 ARG H 1 53 VAL HA 3.000 . 4.600 3.008 2.365 3.578 . 0 0 "[ . 1 . 2]" 1
58 1 22 ARG H 1 53 VAL MG1 3.000 . 6.000 3.253 1.950 5.339 . 0 0 "[ . 1 . 2]" 1
59 1 22 ARG H 1 53 VAL MG2 3.000 . 6.000 4.248 2.996 5.469 . 0 0 "[ . 1 . 2]" 1
60 1 22 ARG H 1 54 GLU HG3 3.000 . 5.600 5.365 4.195 5.610 0.010 20 0 "[ . 1 . 2]" 1
61 1 22 ARG H 1 54 GLU HG2 3.000 . 5.600 5.405 4.924 5.642 0.042 4 0 "[ . 1 . 2]" 1
62 1 22 ARG H 1 54 GLU H 3.000 . 5.600 4.402 4.125 4.795 . 0 0 "[ . 1 . 2]" 1
63 1 23 LYS H 1 23 LYS HA 3.000 . 5.600 2.938 2.925 2.947 . 0 0 "[ . 1 . 2]" 1
64 1 23 LYS H 1 23 LYS QB 3.000 . 6.000 2.556 2.453 2.769 . 0 0 "[ . 1 . 2]" 1
65 1 23 LYS H 1 23 LYS QG 3.000 . 6.000 3.577 2.797 4.096 . 0 0 "[ . 1 . 2]" 1
66 1 23 LYS HA 1 24 ILE H 3.000 . 4.600 2.166 2.138 2.196 . 0 0 "[ . 1 . 2]" 1
67 1 23 LYS QG 1 24 ILE H 3.000 . 6.000 3.901 3.209 4.605 . 0 0 "[ . 1 . 2]" 1
68 1 23 LYS QB 1 24 ILE H 3.000 . 6.000 3.487 3.117 3.789 . 0 0 "[ . 1 . 2]" 1
69 1 23 LYS H 1 24 ILE H 3.000 . 5.600 4.167 4.049 4.309 . 0 0 "[ . 1 . 2]" 1
70 1 23 LYS H 1 24 ILE MD 3.000 . 6.000 5.141 3.933 5.641 . 0 0 "[ . 1 . 2]" 1
71 1 23 LYS HA 1 54 GLU H 3.700 . 5.000 2.550 2.156 3.028 . 0 0 "[ . 1 . 2]" 1
72 1 23 LYS H 1 70 VAL H 3.000 . 6.000 6.018 5.961 6.052 0.052 7 0 "[ . 1 . 2]" 1
73 1 23 LYS H 1 70 VAL HA 3.000 . 5.600 3.524 3.375 3.639 . 0 0 "[ . 1 . 2]" 1
74 1 23 LYS H 1 71 HIS HB3 3.000 . 5.600 2.820 2.010 3.796 . 0 0 "[ . 1 . 2]" 1
75 1 23 LYS H 1 71 HIS HB2 3.000 . 5.600 2.019 1.780 2.399 0.020 13 0 "[ . 1 . 2]" 1
76 1 23 LYS H 1 71 HIS H 3.000 . 5.600 2.127 1.963 2.367 . 0 0 "[ . 1 . 2]" 1
77 1 23 LYS HB3 1 71 HIS H 3.000 . 5.600 3.770 2.867 4.451 . 0 0 "[ . 1 . 2]" 1
78 1 23 LYS QG 1 71 HIS H 3.000 . 6.000 4.644 3.865 5.120 . 0 0 "[ . 1 . 2]" 1
79 1 23 LYS HB2 1 71 HIS H 3.000 . 5.600 3.047 2.500 3.463 . 0 0 "[ . 1 . 2]" 1
80 1 23 LYS HB3 1 72 LEU H 3.000 . 5.600 5.104 4.472 5.614 0.014 6 0 "[ . 1 . 2]" 1
81 1 23 LYS HB2 1 72 LEU H 3.000 . 5.600 4.931 4.422 5.471 . 0 0 "[ . 1 . 2]" 1
82 1 23 LYS H 1 72 LEU H 3.000 . 5.600 3.772 3.481 4.119 . 0 0 "[ . 1 . 2]" 1
83 1 24 ILE H 1 24 ILE HA 3.000 . 5.600 2.930 2.914 2.939 . 0 0 "[ . 1 . 2]" 1
84 1 24 ILE H 1 24 ILE MG 3.000 . 6.000 3.798 3.009 3.866 . 0 0 "[ . 1 . 2]" 1
85 1 24 ILE H 1 24 ILE MD 3.000 . 6.000 3.044 1.893 3.752 . 0 0 "[ . 1 . 2]" 1
86 1 24 ILE H 1 24 ILE HG13 3.000 . 5.600 2.481 1.968 3.560 . 0 0 "[ . 1 . 2]" 1
87 1 24 ILE H 1 24 ILE HG12 3.000 . 5.600 3.646 2.258 4.185 . 0 0 "[ . 1 . 2]" 1
88 1 24 ILE H 1 24 ILE HB 3.000 . 4.600 2.751 2.575 3.635 . 0 0 "[ . 1 . 2]" 1
89 1 24 ILE HA 1 25 ILE H 3.000 . 4.600 2.329 2.270 2.383 . 0 0 "[ . 1 . 2]" 1
90 1 24 ILE H 1 25 ILE H 3.000 . 5.600 4.580 4.545 4.603 . 0 0 "[ . 1 . 2]" 1
91 1 24 ILE QG 1 54 GLU H 3.000 . 6.000 4.669 3.578 5.304 . 0 0 "[ . 1 . 2]" 1
92 1 24 ILE H 1 54 GLU QB 3.000 . 6.000 4.340 3.809 5.042 . 0 0 "[ . 1 . 2]" 1
93 1 24 ILE H 1 54 GLU H 3.000 . 5.600 3.640 3.170 4.019 . 0 0 "[ . 1 . 2]" 1
94 1 24 ILE H 1 55 LEU HA 3.000 . 5.600 3.013 2.574 3.703 . 0 0 "[ . 1 . 2]" 1
95 1 24 ILE H 1 56 ILE H 3.000 . 5.600 3.841 3.594 4.057 . 0 0 "[ . 1 . 2]" 1
96 1 24 ILE HA 1 71 HIS H 3.000 . 5.600 3.969 3.620 4.431 . 0 0 "[ . 1 . 2]" 1
97 1 24 ILE HA 1 72 LEU H 3.700 . 5.000 2.746 2.494 3.062 . 0 0 "[ . 1 . 2]" 1
98 1 25 ILE H 1 25 ILE HB 3.000 . 4.600 3.161 2.465 3.851 . 0 0 "[ . 1 . 2]" 1
99 1 25 ILE H 1 25 ILE MD 3.000 . 5.000 3.829 2.428 4.566 . 0 0 "[ . 1 . 2]" 1
100 1 25 ILE H 1 25 ILE MG 3.000 . 5.000 3.114 1.871 3.943 . 0 0 "[ . 1 . 2]" 1
101 1 25 ILE H 1 25 ILE HA 3.000 . 5.600 2.938 2.927 2.947 . 0 0 "[ . 1 . 2]" 1
102 1 25 ILE H 1 25 ILE QG 3.000 . 6.000 2.947 1.870 4.196 . 0 0 "[ . 1 . 2]" 1
103 1 25 ILE H 1 26 VAL H 3.000 . 5.600 4.443 4.404 4.475 . 0 0 "[ . 1 . 2]" 1
104 1 25 ILE HA 1 56 ILE H 3.700 . 5.000 2.810 2.479 3.211 . 0 0 "[ . 1 . 2]" 1
105 1 25 ILE MD 1 63 ILE MG 3.700 . 6.000 2.421 1.923 3.190 0.077 2 0 "[ . 1 . 2]" 1
106 1 25 ILE MG 1 63 ILE MG 3.700 . 6.000 2.555 1.928 3.475 0.072 9 0 "[ . 1 . 2]" 1
107 1 25 ILE H 1 72 LEU H 3.000 . 5.600 4.405 4.146 4.645 . 0 0 "[ . 1 . 2]" 1
108 1 25 ILE H 1 73 ILE H 3.000 . 5.600 4.568 4.329 4.774 . 0 0 "[ . 1 . 2]" 1
109 1 25 ILE H 1 73 ILE HA 3.700 . 5.000 2.191 1.965 2.688 0.035 13 0 "[ . 1 . 2]" 1
110 1 25 ILE H 1 73 ILE MG 3.000 . 6.000 3.932 2.762 4.825 . 0 0 "[ . 1 . 2]" 1
111 1 25 ILE H 1 74 CYS H 3.000 . 5.600 3.270 2.803 3.594 . 0 0 "[ . 1 . 2]" 1
112 1 26 VAL H 1 26 VAL HB 3.000 . 5.600 3.138 2.638 3.797 . 0 0 "[ . 1 . 2]" 1
113 1 26 VAL H 1 26 VAL HA 3.000 . 4.600 2.949 2.939 2.958 . 0 0 "[ . 1 . 2]" 1
114 1 26 VAL H 1 26 VAL QG 3.000 . 5.000 2.339 1.917 2.910 . 0 0 "[ . 1 . 2]" 1
115 1 26 VAL HA 1 27 ALA H 3.000 . 4.600 2.154 2.132 2.181 . 0 0 "[ . 1 . 2]" 1
116 1 26 VAL H 1 27 ALA H 3.000 . 5.600 4.214 4.146 4.296 . 0 0 "[ . 1 . 2]" 1
117 1 26 VAL H 1 27 ALA HA 3.000 . 5.600 4.784 4.707 4.895 . 0 0 "[ . 1 . 2]" 1
118 1 26 VAL MG2 1 27 ALA H 3.000 . 5.600 3.731 2.414 4.306 . 0 0 "[ . 1 . 2]" 1
119 1 26 VAL HB 1 27 ALA H 3.000 . 5.600 4.070 3.295 4.399 . 0 0 "[ . 1 . 2]" 1
120 1 26 VAL MG1 1 27 ALA H 3.000 . 5.600 3.452 2.593 4.155 . 0 0 "[ . 1 . 2]" 1
121 1 26 VAL QG 1 56 ILE H 3.000 . 6.000 4.085 3.712 4.597 . 0 0 "[ . 1 . 2]" 1
122 1 26 VAL H 1 56 ILE HB 3.000 . 5.600 5.082 4.201 5.737 0.137 12 0 "[ . 1 . 2]" 1
123 1 26 VAL H 1 56 ILE HG13 3.000 . 5.600 4.958 3.778 5.661 0.061 8 0 "[ . 1 . 2]" 1
124 1 26 VAL H 1 56 ILE HG12 3.000 . 5.600 5.041 4.141 5.679 0.079 7 0 "[ . 1 . 2]" 1
125 1 26 VAL H 1 56 ILE MG 3.000 . 6.000 4.142 2.774 5.699 . 0 0 "[ . 1 . 2]" 1
126 1 26 VAL H 1 57 GLN QG 3.000 . 6.000 4.157 3.389 5.510 . 0 0 "[ . 1 . 2]" 1
127 1 26 VAL QG 1 57 GLN H 3.000 . 6.000 4.433 3.788 5.224 . 0 0 "[ . 1 . 2]" 1
128 1 26 VAL H 1 57 GLN HA 3.700 . 5.000 2.353 2.102 2.662 . 0 0 "[ . 1 . 2]" 1
129 1 26 VAL H 1 57 GLN H 3.000 . 6.000 4.510 4.336 4.794 . 0 0 "[ . 1 . 2]" 1
130 1 26 VAL QG 1 58 CYS H 3.000 . 6.000 3.634 3.073 4.384 . 0 0 "[ . 1 . 2]" 1
131 1 26 VAL H 1 58 CYS H 3.000 . 5.600 3.364 3.065 3.678 . 0 0 "[ . 1 . 2]" 1
132 1 26 VAL HA 1 74 CYS H 3.700 . 5.000 3.296 3.034 3.578 . 0 0 "[ . 1 . 2]" 1
133 1 26 VAL MG1 1 74 CYS H 3.000 . 5.600 4.844 3.537 5.643 0.043 18 0 "[ . 1 . 2]" 1
134 1 27 ALA H 1 27 ALA HA 3.000 . 4.600 2.942 2.935 2.945 . 0 0 "[ . 1 . 2]" 1
135 1 27 ALA H 1 27 ALA MB 3.000 . 5.000 2.395 2.287 2.514 . 0 0 "[ . 1 . 2]" 1
136 1 27 ALA HA 1 28 CYS H 3.000 . 4.600 2.117 2.090 2.138 . 0 0 "[ . 1 . 2]" 1
137 1 27 ALA MB 1 28 CYS H 3.000 . 6.000 3.169 3.102 3.213 . 0 0 "[ . 1 . 2]" 1
138 1 27 ALA H 1 58 CYS H 3.000 . 6.000 4.683 4.432 4.981 . 0 0 "[ . 1 . 2]" 1
139 1 27 ALA HA 1 58 CYS H 3.700 . 5.000 2.990 2.683 3.314 . 0 0 "[ . 1 . 2]" 1
140 1 27 ALA HA 1 59 ARG H 3.000 . 5.600 4.960 4.780 5.077 . 0 0 "[ . 1 . 2]" 1
141 1 27 ALA HA 1 60 VAL H 3.000 . 6.000 5.578 5.330 5.781 . 0 0 "[ . 1 . 2]" 1
142 1 27 ALA MB 1 63 ILE MG 3.700 . 6.000 3.836 1.973 5.153 0.027 19 0 "[ . 1 . 2]" 1
143 1 27 ALA MB 1 63 ILE MD 3.700 . 6.000 2.557 1.990 3.997 0.010 16 0 "[ . 1 . 2]" 1
144 1 27 ALA H 1 74 CYS HB3 3.000 . 5.600 4.320 3.588 5.181 . 0 0 "[ . 1 . 2]" 1
145 1 27 ALA H 1 74 CYS HB2 3.000 . 5.600 4.592 3.573 5.484 . 0 0 "[ . 1 . 2]" 1
146 1 27 ALA H 1 74 CYS H 3.000 . 5.600 4.195 3.892 4.655 . 0 0 "[ . 1 . 2]" 1
147 1 27 ALA H 1 75 THR HB 3.000 . 5.600 5.247 4.226 5.605 0.005 7 0 "[ . 1 . 2]" 1
148 1 27 ALA H 1 75 THR MG 3.000 . 6.000 3.614 2.342 5.329 . 0 0 "[ . 1 . 2]" 1
149 1 27 ALA H 1 75 THR HA 3.700 . 5.000 3.030 2.510 3.548 . 0 0 "[ . 1 . 2]" 1
150 1 28 CYS H 1 28 CYS HA 3.000 . 5.600 2.817 2.274 2.950 . 0 0 "[ . 1 . 2]" 1
151 1 28 CYS H 1 28 CYS HB3 3.000 . 5.600 3.405 2.814 4.090 . 0 0 "[ . 1 . 2]" 1
152 1 28 CYS H 1 28 CYS HB2 3.000 . 5.600 3.053 2.473 4.074 . 0 0 "[ . 1 . 2]" 1
153 1 28 CYS H 1 58 CYS H 3.000 . 5.600 4.509 4.065 4.798 . 0 0 "[ . 1 . 2]" 1
154 1 28 CYS H 1 59 ARG H 3.000 . 5.600 5.640 5.588 5.687 0.087 7 0 "[ . 1 . 2]" 1
155 1 28 CYS H 1 59 ARG HA 3.000 . 5.600 3.436 3.279 3.572 . 0 0 "[ . 1 . 2]" 1
156 1 28 CYS H 1 60 VAL H 3.000 . 5.600 5.388 5.069 5.603 0.003 5 0 "[ . 1 . 2]" 1
157 1 30 GLY H 1 30 GLY HA3 3.000 . 5.600 2.714 2.288 2.956 . 0 0 "[ . 1 . 2]" 1
158 1 31 ALA H 1 31 ALA HA 3.000 . 5.600 2.762 2.273 2.949 . 0 0 "[ . 1 . 2]" 1
159 1 31 ALA H 1 31 ALA MB 3.000 . 6.000 2.506 2.043 2.928 . 0 0 "[ . 1 . 2]" 1
160 1 31 ALA HA 1 34 THR H 3.000 . 5.600 4.717 3.451 5.634 0.034 8 0 "[ . 1 . 2]" 1
161 1 32 VAL H 1 32 VAL HA 3.000 . 5.600 2.712 2.274 2.948 . 0 0 "[ . 1 . 2]" 1
162 1 32 VAL H 1 32 VAL HB 3.000 . 5.600 3.335 2.613 3.915 . 0 0 "[ . 1 . 2]" 1
163 1 32 VAL H 1 32 VAL MG1 3.000 . 6.000 3.583 2.103 4.096 . 0 0 "[ . 1 . 2]" 1
164 1 32 VAL H 1 32 VAL MG2 3.000 . 6.000 2.505 1.879 4.063 . 0 0 "[ . 1 . 2]" 1
165 1 32 VAL QG 1 33 ALA H 3.000 . 6.000 3.098 1.822 3.734 . 0 0 "[ . 1 . 2]" 1
166 1 32 VAL HA 1 33 ALA H 3.000 . 5.600 3.039 2.141 3.576 . 0 0 "[ . 1 . 2]" 1
167 1 32 VAL H 1 33 ALA H 3.000 . 5.600 2.933 1.875 4.626 . 0 0 "[ . 1 . 2]" 1
168 1 32 VAL HB 1 33 ALA H 3.000 . 5.600 3.445 1.933 4.388 . 0 0 "[ . 1 . 2]" 1
169 1 32 VAL HB 1 34 THR H 3.000 . 5.600 4.918 2.969 5.617 0.017 17 0 "[ . 1 . 2]" 1
170 1 32 VAL HA 1 34 THR H 3.000 . 5.600 4.394 3.344 5.410 . 0 0 "[ . 1 . 2]" 1
171 1 32 VAL QG 1 34 THR H 3.000 . 6.000 4.203 2.919 4.999 . 0 0 "[ . 1 . 2]" 1
172 1 32 VAL QG 1 35 SER H 3.000 . 6.000 4.887 4.176 5.843 . 0 0 "[ . 1 . 2]" 1
173 1 33 ALA H 1 33 ALA HA 3.000 . 5.600 2.658 2.274 2.945 . 0 0 "[ . 1 . 2]" 1
174 1 33 ALA H 1 33 ALA MB 3.000 . 6.000 2.666 2.150 3.048 . 0 0 "[ . 1 . 2]" 1
175 1 33 ALA MB 1 34 THR H 3.000 . 5.000 3.243 2.553 3.725 . 0 0 "[ . 1 . 2]" 1
176 1 33 ALA H 1 34 THR H 3.000 . 5.600 2.620 1.845 3.256 . 0 0 "[ . 1 . 2]" 1
177 1 33 ALA MB 1 35 SER H 3.000 . 6.000 4.876 4.202 5.483 . 0 0 "[ . 1 . 2]" 1
178 1 33 ALA MB 1 36 THR H 3.000 . 6.000 5.338 4.574 5.960 . 0 0 "[ . 1 . 2]" 1
179 1 33 ALA MB 1 37 MET H 3.000 . 6.000 5.108 4.358 5.960 . 0 0 "[ . 1 . 2]" 1
180 1 34 THR H 1 34 THR HA 3.000 . 4.600 2.878 2.813 2.937 . 0 0 "[ . 1 . 2]" 1
181 1 34 THR H 1 34 THR MG 3.000 . 5.000 3.366 2.019 3.988 . 0 0 "[ . 1 . 2]" 1
182 1 34 THR H 1 34 THR HB 3.000 . 5.600 3.119 2.620 4.003 . 0 0 "[ . 1 . 2]" 1
183 1 34 THR H 1 35 SER H 3.000 . 5.600 2.324 1.815 2.938 . 0 0 "[ . 1 . 2]" 1
184 1 34 THR MG 1 35 SER H 3.000 . 6.000 3.727 2.564 4.440 . 0 0 "[ . 1 . 2]" 1
185 1 34 THR MG 1 36 THR H 3.000 . 6.000 5.456 4.808 5.908 . 0 0 "[ . 1 . 2]" 1
186 1 34 THR H 1 36 THR H 3.000 . 5.600 3.910 2.985 5.537 . 0 0 "[ . 1 . 2]" 1
187 1 34 THR MG 1 37 MET H 3.000 . 6.000 4.980 3.676 5.519 . 0 0 "[ . 1 . 2]" 1
188 1 35 SER H 1 35 SER HA 3.000 . 5.600 2.808 2.751 2.868 . 0 0 "[ . 1 . 2]" 1
189 1 35 SER H 1 35 SER HB2 3.000 . 5.600 2.784 2.094 3.604 . 0 0 "[ . 1 . 2]" 1
190 1 35 SER H 1 35 SER HB3 3.000 . 5.600 3.179 2.421 3.605 . 0 0 "[ . 1 . 2]" 1
191 1 35 SER QB 1 36 THR H 3.000 . 6.000 2.538 2.172 3.205 . 0 0 "[ . 1 . 2]" 1
192 1 35 SER H 1 36 THR H 3.000 . 5.600 2.758 2.649 2.912 . 0 0 "[ . 1 . 2]" 1
193 1 35 SER H 1 37 MET H 3.000 . 5.600 4.018 3.678 4.401 . 0 0 "[ . 1 . 2]" 1
194 1 35 SER HA 1 38 ALA H 3.000 . 5.600 3.873 3.473 4.098 . 0 0 "[ . 1 . 2]" 1
195 1 35 SER HA 1 39 ALA H 3.000 . 5.600 3.969 3.407 4.566 . 0 0 "[ . 1 . 2]" 1
196 1 36 THR H 1 36 THR HB 3.000 . 4.600 3.021 2.437 3.598 . 0 0 "[ . 1 . 2]" 1
197 1 36 THR H 1 36 THR HA 3.000 . 5.600 2.821 2.777 2.869 . 0 0 "[ . 1 . 2]" 1
198 1 36 THR H 1 36 THR MG 3.000 . 6.000 3.046 1.948 3.754 . 0 0 "[ . 1 . 2]" 1
199 1 36 THR MG 1 37 MET H 3.000 . 6.000 3.591 1.928 4.256 . 0 0 "[ . 1 . 2]" 1
200 1 36 THR HA 1 37 MET H 3.000 . 5.600 3.524 3.472 3.572 . 0 0 "[ . 1 . 2]" 1
201 1 36 THR H 1 37 MET H 3.000 . 5.600 2.643 2.439 2.876 . 0 0 "[ . 1 . 2]" 1
202 1 36 THR HA 1 39 ALA H 3.700 . 5.000 3.746 3.447 4.060 . 0 0 "[ . 1 . 2]" 1
203 1 36 THR HA 1 40 GLU H 3.000 . 5.600 3.510 3.221 3.893 . 0 0 "[ . 1 . 2]" 1
204 1 37 MET H 1 37 MET HA 3.000 . 5.600 2.787 2.735 2.864 . 0 0 "[ . 1 . 2]" 1
205 1 37 MET H 1 37 MET HG3 3.000 . 5.600 3.795 2.496 4.556 . 0 0 "[ . 1 . 2]" 1
206 1 37 MET H 1 37 MET HG2 3.000 . 5.600 3.914 2.068 4.619 . 0 0 "[ . 1 . 2]" 1
207 1 37 MET H 1 37 MET QB 3.000 . 5.000 2.184 2.030 2.699 . 0 0 "[ . 1 . 2]" 1
208 1 37 MET QB 1 38 ALA H 3.000 . 5.000 2.380 2.241 2.508 . 0 0 "[ . 1 . 2]" 1
209 1 37 MET H 1 38 ALA H 3.000 . 5.600 2.862 2.608 3.004 . 0 0 "[ . 1 . 2]" 1
210 1 37 MET HA 1 39 ALA H 3.000 . 5.600 4.971 4.662 5.166 . 0 0 "[ . 1 . 2]" 1
211 1 37 MET H 1 39 ALA H 3.000 . 5.600 4.385 4.130 4.609 . 0 0 "[ . 1 . 2]" 1
212 1 37 MET HA 1 40 GLU H 3.700 . 5.000 4.077 3.850 4.335 . 0 0 "[ . 1 . 2]" 1
213 1 37 MET HA 1 41 GLU H 3.000 . 5.600 4.048 3.594 4.441 . 0 0 "[ . 1 . 2]" 1
214 1 38 ALA H 1 38 ALA MB 3.000 . 5.000 2.110 2.020 2.234 . 0 0 "[ . 1 . 2]" 1
215 1 38 ALA H 1 38 ALA HA 3.000 . 5.600 2.811 2.791 2.832 . 0 0 "[ . 1 . 2]" 1
216 1 38 ALA HA 1 39 ALA H 3.000 . 5.600 3.566 3.550 3.583 . 0 0 "[ . 1 . 2]" 1
217 1 38 ALA HA 1 41 GLU H 3.000 . 5.000 3.521 3.385 3.677 . 0 0 "[ . 1 . 2]" 1
218 1 38 ALA MB 1 55 LEU QD 3.700 . 6.000 3.745 3.435 4.041 . 0 0 "[ . 1 . 2]" 1
219 1 38 ALA H 1 55 LEU QD 3.000 . 6.000 5.953 5.682 6.056 0.056 1 0 "[ . 1 . 2]" 1
220 1 38 ALA MB 1 94 PHE QD 3.000 . 6.000 4.035 3.190 5.101 . 0 0 "[ . 1 . 2]" 1
221 1 38 ALA MB 1 94 PHE QE 3.000 . 6.000 4.629 3.117 5.724 . 0 0 "[ . 1 . 2]" 1
222 1 38 ALA HA 1 94 PHE QD 3.000 . 6.000 4.644 3.320 5.264 . 0 0 "[ . 1 . 2]" 1
223 1 38 ALA HA 1 94 PHE QE 3.000 . 6.000 4.642 2.616 5.479 . 0 0 "[ . 1 . 2]" 1
224 1 39 ALA H 1 39 ALA HA 3.000 . 4.600 2.742 2.710 2.784 . 0 0 "[ . 1 . 2]" 1
225 1 39 ALA H 1 39 ALA MB 3.000 . 5.000 2.162 2.036 2.241 . 0 0 "[ . 1 . 2]" 1
226 1 39 ALA MB 1 40 GLU H 3.000 . 5.000 2.326 2.186 2.465 . 0 0 "[ . 1 . 2]" 1
227 1 39 ALA HA 1 40 GLU H 3.000 . 5.600 3.573 3.562 3.584 . 0 0 "[ . 1 . 2]" 1
228 1 39 ALA HA 1 42 ILE H 3.000 . 5.600 3.805 3.640 4.133 . 0 0 "[ . 1 . 2]" 1
229 1 39 ALA H 1 42 ILE MD 3.000 . 6.000 4.771 3.376 5.977 . 0 0 "[ . 1 . 2]" 1
230 1 39 ALA MB 1 55 LEU QD 3.700 . 6.000 2.784 2.010 3.309 . 0 0 "[ . 1 . 2]" 1
231 1 40 GLU H 1 40 GLU QG 3.000 . 6.000 3.515 2.516 4.062 . 0 0 "[ . 1 . 2]" 1
232 1 40 GLU H 1 40 GLU HA 3.000 . 4.600 2.805 2.784 2.823 . 0 0 "[ . 1 . 2]" 1
233 1 40 GLU H 1 40 GLU HB3 3.000 . 4.600 3.084 2.439 3.549 . 0 0 "[ . 1 . 2]" 1
234 1 40 GLU H 1 40 GLU HB2 3.000 . 4.600 2.291 2.069 3.591 . 0 0 "[ . 1 . 2]" 1
235 1 40 GLU H 1 41 GLU H 3.000 . 4.600 2.697 2.615 2.794 . 0 0 "[ . 1 . 2]" 1
236 1 40 GLU H 1 41 GLU QB 3.000 . 6.000 4.468 4.324 4.775 . 0 0 "[ . 1 . 2]" 1
237 1 40 GLU HA 1 43 LYS H 3.700 . 5.000 3.615 3.450 3.773 . 0 0 "[ . 1 . 2]" 1
238 1 40 GLU QB 1 43 LYS H 3.000 . 6.000 4.990 4.746 5.147 . 0 0 "[ . 1 . 2]" 1
239 1 40 GLU H 1 43 LYS H 3.000 . 5.600 4.683 4.577 4.817 . 0 0 "[ . 1 . 2]" 1
240 1 40 GLU HA 1 44 GLU H 3.000 . 5.600 3.720 3.361 4.059 . 0 0 "[ . 1 . 2]" 1
241 1 40 GLU QG 1 44 GLU H 3.000 . 6.000 4.642 3.862 5.684 . 0 0 "[ . 1 . 2]" 1
242 1 41 GLU H 1 41 GLU HB2 3.000 . 5.600 2.210 2.080 2.494 . 0 0 "[ . 1 . 2]" 1
243 1 41 GLU H 1 41 GLU HB3 3.000 . 5.600 3.311 2.609 3.596 . 0 0 "[ . 1 . 2]" 1
244 1 41 GLU H 1 41 GLU HA 3.000 . 5.600 2.825 2.789 2.855 . 0 0 "[ . 1 . 2]" 1
245 1 41 GLU H 1 42 ILE HB 3.000 . 5.600 5.126 4.850 5.412 . 0 0 "[ . 1 . 2]" 1
246 1 41 GLU HB3 1 42 ILE H 3.000 . 5.600 2.829 2.320 3.552 . 0 0 "[ . 1 . 2]" 1
247 1 41 GLU HB2 1 42 ILE H 3.000 . 5.600 2.893 2.473 3.705 . 0 0 "[ . 1 . 2]" 1
248 1 41 GLU H 1 42 ILE MD 3.000 . 6.000 4.714 3.857 5.310 . 0 0 "[ . 1 . 2]" 1
249 1 41 GLU H 1 42 ILE QG 3.000 . 6.000 4.141 3.891 4.371 . 0 0 "[ . 1 . 2]" 1
250 1 41 GLU H 1 42 ILE H 3.000 . 5.600 2.754 2.647 2.903 . 0 0 "[ . 1 . 2]" 1
251 1 41 GLU H 1 43 LYS H 3.000 . 5.600 3.931 3.807 4.039 . 0 0 "[ . 1 . 2]" 1
252 1 41 GLU HA 1 44 GLU H 3.700 . 5.000 3.857 3.706 4.062 . 0 0 "[ . 1 . 2]" 1
253 1 41 GLU HA 1 45 LEU H 3.000 . 5.600 4.292 3.994 4.543 . 0 0 "[ . 1 . 2]" 1
254 1 41 GLU HB3 1 94 PHE QD 3.000 . 6.000 5.285 4.611 5.982 . 0 0 "[ . 1 . 2]" 1
255 1 41 GLU HB2 1 94 PHE QD 3.000 . 6.000 5.552 4.516 6.033 0.033 4 0 "[ . 1 . 2]" 1
256 1 41 GLU HB2 1 94 PHE QE 3.000 . 6.000 4.634 3.174 5.506 . 0 0 "[ . 1 . 2]" 1
257 1 42 ILE H 1 42 ILE HA 3.000 . 5.600 2.819 2.804 2.836 . 0 0 "[ . 1 . 2]" 1
258 1 42 ILE H 1 42 ILE HB 3.000 . 4.600 2.714 2.566 2.986 . 0 0 "[ . 1 . 2]" 1
259 1 42 ILE H 1 42 ILE MD 3.000 . 5.000 2.898 2.057 3.483 . 0 0 "[ . 1 . 2]" 1
260 1 42 ILE H 1 42 ILE HG13 3.000 . 4.600 2.865 1.894 3.555 . 0 0 "[ . 1 . 2]" 1
261 1 42 ILE H 1 42 ILE MG 3.000 . 4.600 3.761 3.710 3.775 . 0 0 "[ . 1 . 2]" 1
262 1 42 ILE MG 1 43 LYS H 3.000 . 5.000 3.782 3.538 4.005 . 0 0 "[ . 1 . 2]" 1
263 1 42 ILE H 1 43 LYS H 3.000 . 4.600 2.631 2.572 2.694 . 0 0 "[ . 1 . 2]" 1
264 1 42 ILE HB 1 43 LYS H 3.000 . 4.600 2.756 2.592 2.898 . 0 0 "[ . 1 . 2]" 1
265 1 42 ILE HA 1 45 LEU H 3.700 . 5.000 3.640 3.393 3.821 . 0 0 "[ . 1 . 2]" 1
266 1 42 ILE HA 1 46 CYS H 3.000 . 5.600 4.055 3.760 4.401 . 0 0 "[ . 1 . 2]" 1
267 1 42 ILE QG 1 94 PHE QE 3.000 . 6.000 3.647 2.609 5.073 . 0 0 "[ . 1 . 2]" 1
268 1 42 ILE QG 1 94 PHE HZ 3.000 . 6.000 4.767 3.671 5.775 . 0 0 "[ . 1 . 2]" 1
269 1 42 ILE MG 1 94 PHE QD 3.000 . 6.000 5.952 5.746 6.042 0.042 9 0 "[ . 1 . 2]" 1
270 1 42 ILE MG 1 94 PHE QE 3.000 . 6.000 4.602 4.154 4.929 . 0 0 "[ . 1 . 2]" 1
271 1 42 ILE MG 1 94 PHE HZ 3.000 . 6.000 5.392 4.516 6.016 0.016 8 0 "[ . 1 . 2]" 1
272 1 43 LYS H 1 43 LYS HG3 3.000 . 5.600 4.065 2.946 4.586 . 0 0 "[ . 1 . 2]" 1
273 1 43 LYS H 1 43 LYS HG2 3.000 . 5.600 4.139 2.872 4.640 . 0 0 "[ . 1 . 2]" 1
274 1 43 LYS H 1 43 LYS HA 3.000 . 4.600 2.823 2.771 2.861 . 0 0 "[ . 1 . 2]" 1
275 1 43 LYS H 1 43 LYS HB3 3.000 . 4.600 3.015 2.375 3.535 . 0 0 "[ . 1 . 2]" 1
276 1 43 LYS H 1 43 LYS HB2 3.000 . 4.600 2.275 2.094 2.724 . 0 0 "[ . 1 . 2]" 1
277 1 43 LYS H 1 44 GLU H 3.000 . 4.600 2.795 2.639 2.950 . 0 0 "[ . 1 . 2]" 1
278 1 43 LYS QB 1 44 GLU H 3.000 . 5.000 2.315 2.149 2.493 . 0 0 "[ . 1 . 2]" 1
279 1 43 LYS HA 1 44 GLU H 3.000 . 5.600 3.574 3.565 3.581 . 0 0 "[ . 1 . 2]" 1
280 1 43 LYS HA 1 45 LEU H 3.000 . 5.600 4.233 4.070 4.388 . 0 0 "[ . 1 . 2]" 1
281 1 43 LYS QB 1 46 CYS H 3.000 . 6.000 5.073 4.771 5.416 . 0 0 "[ . 1 . 2]" 1
282 1 43 LYS HA 1 46 CYS H 3.700 . 5.000 3.595 3.261 3.937 . 0 0 "[ . 1 . 2]" 1
283 1 43 LYS H 1 46 CYS H 3.000 . 5.600 4.785 4.576 5.048 . 0 0 "[ . 1 . 2]" 1
284 1 43 LYS HA 1 47 GLN H 3.000 . 5.600 4.334 3.979 4.536 . 0 0 "[ . 1 . 2]" 1
285 1 44 GLU H 1 44 GLU HA 3.000 . 4.600 2.774 2.757 2.793 . 0 0 "[ . 1 . 2]" 1
286 1 44 GLU H 1 44 GLU QB 3.000 . 5.000 2.450 2.147 2.726 . 0 0 "[ . 1 . 2]" 1
287 1 44 GLU H 1 44 GLU QG 3.000 . 5.000 2.383 1.894 3.873 . 0 0 "[ . 1 . 2]" 1
288 1 44 GLU QG 1 46 CYS H 3.000 . 5.000 4.558 4.297 5.034 0.034 17 0 "[ . 1 . 2]" 1
289 1 44 GLU HA 1 46 CYS H 3.000 . 5.600 4.793 4.554 5.009 . 0 0 "[ . 1 . 2]" 1
290 1 44 GLU H 1 46 CYS H 3.000 . 5.600 4.548 4.284 4.883 . 0 0 "[ . 1 . 2]" 1
291 1 44 GLU HA 1 47 GLN H 3.700 . 5.000 3.707 3.637 3.854 . 0 0 "[ . 1 . 2]" 1
292 1 45 LEU H 1 45 LEU MD1 3.000 . 6.000 3.704 2.614 4.313 . 0 0 "[ . 1 . 2]" 1
293 1 45 LEU H 1 45 LEU MD2 3.000 . 6.000 3.746 2.100 4.453 . 0 0 "[ . 1 . 2]" 1
294 1 45 LEU H 1 45 LEU HG 3.000 . 5.600 4.108 2.188 4.560 . 0 0 "[ . 1 . 2]" 1
295 1 45 LEU H 1 45 LEU HA 3.000 . 4.600 2.831 2.797 2.873 . 0 0 "[ . 1 . 2]" 1
296 1 45 LEU H 1 45 LEU HB3 3.000 . 4.600 3.131 2.503 3.595 . 0 0 "[ . 1 . 2]" 1
297 1 45 LEU H 1 45 LEU HB2 3.000 . 4.600 2.175 2.051 2.526 . 0 0 "[ . 1 . 2]" 1
298 1 45 LEU QB 1 46 CYS H 3.000 . 5.000 2.394 2.185 2.697 . 0 0 "[ . 1 . 2]" 1
299 1 45 LEU H 1 46 CYS H 3.000 . 4.600 2.722 2.453 2.962 . 0 0 "[ . 1 . 2]" 1
300 1 45 LEU HA 1 46 CYS H 3.000 . 5.600 3.560 3.530 3.581 . 0 0 "[ . 1 . 2]" 1
301 1 45 LEU QD 1 46 CYS H 3.000 . 6.000 3.728 2.491 4.064 . 0 0 "[ . 1 . 2]" 1
302 1 45 LEU MD1 1 47 GLN H 3.000 . 6.500 5.776 4.710 6.364 . 0 0 "[ . 1 . 2]" 1
303 1 45 LEU MD2 1 47 GLN H 3.000 . 6.500 5.734 4.602 6.379 . 0 0 "[ . 1 . 2]" 1
304 1 45 LEU H 1 47 GLN H 3.000 . 5.600 4.042 3.924 4.140 . 0 0 "[ . 1 . 2]" 1
305 1 45 LEU H 1 48 SER H 3.000 . 5.600 4.573 4.405 4.715 . 0 0 "[ . 1 . 2]" 1
306 1 45 LEU QD 1 49 HIS H 3.000 . 6.000 4.491 3.349 5.847 . 0 0 "[ . 1 . 2]" 1
307 1 45 LEU QD 1 111 LEU QD 3.700 . 6.000 3.981 2.803 5.528 . 0 0 "[ . 1 . 2]" 1
308 1 46 CYS H 1 46 CYS QB 3.000 . 5.000 2.364 2.095 2.601 . 0 0 "[ . 1 . 2]" 1
309 1 46 CYS H 1 46 CYS HA 3.000 . 5.600 2.760 2.725 2.787 . 0 0 "[ . 1 . 2]" 1
310 1 46 CYS H 1 47 GLN H 3.000 . 4.600 2.806 2.711 2.910 . 0 0 "[ . 1 . 2]" 1
311 1 46 CYS HB2 1 47 GLN H 3.000 . 5.600 3.005 2.580 3.966 . 0 0 "[ . 1 . 2]" 1
312 1 46 CYS HA 1 47 GLN H 3.000 . 5.600 3.525 3.507 3.551 . 0 0 "[ . 1 . 2]" 1
313 1 46 CYS HB3 1 47 GLN H 3.000 . 5.600 3.610 3.050 3.936 . 0 0 "[ . 1 . 2]" 1
314 1 46 CYS HA 1 49 HIS H 3.700 . 5.000 3.933 3.658 4.183 . 0 0 "[ . 1 . 2]" 1
315 1 46 CYS HA 1 51 ILE MD 3.700 . 5.500 2.969 2.170 3.787 . 0 0 "[ . 1 . 2]" 1
316 1 46 CYS HA 1 51 ILE HB 3.700 . 5.000 2.963 2.496 3.429 . 0 0 "[ . 1 . 2]" 1
317 1 46 CYS HB3 1 51 ILE H 3.000 . 5.600 4.172 3.444 5.510 . 0 0 "[ . 1 . 2]" 1
318 1 46 CYS HB2 1 51 ILE H 3.000 . 5.600 4.908 3.814 5.427 . 0 0 "[ . 1 . 2]" 1
319 1 46 CYS H 1 51 ILE MD 3.000 . 6.000 5.094 4.322 5.890 . 0 0 "[ . 1 . 2]" 1
320 1 46 CYS QB 1 53 VAL H 3.000 . 6.500 4.076 3.394 4.607 . 0 0 "[ . 1 . 2]" 1
321 1 47 GLN H 1 47 GLN QG 3.000 . 6.000 3.452 2.271 4.029 . 0 0 "[ . 1 . 2]" 1
322 1 47 GLN H 1 47 GLN HA 3.000 . 4.600 2.866 2.849 2.888 . 0 0 "[ . 1 . 2]" 1
323 1 47 GLN H 1 47 GLN HB3 3.000 . 4.600 3.088 2.535 3.596 . 0 0 "[ . 1 . 2]" 1
324 1 47 GLN H 1 47 GLN HB2 3.000 . 4.600 2.351 2.097 3.611 . 0 0 "[ . 1 . 2]" 1
325 1 47 GLN QB 1 48 SER H 3.000 . 5.000 2.708 2.310 3.562 . 0 0 "[ . 1 . 2]" 1
326 1 47 GLN QG 1 48 SER H 3.000 . 6.000 4.139 2.292 4.571 . 0 0 "[ . 1 . 2]" 1
327 1 47 GLN HA 1 48 SER H 3.000 . 5.600 3.516 3.465 3.561 . 0 0 "[ . 1 . 2]" 1
328 1 47 GLN H 1 48 SER H 3.000 . 4.600 2.490 2.354 2.608 . 0 0 "[ . 1 . 2]" 1
329 1 47 GLN QB 1 49 HIS H 3.000 . 6.000 4.814 4.523 5.266 . 0 0 "[ . 1 . 2]" 1
330 1 47 GLN H 1 49 HIS H 3.000 . 5.600 4.238 3.974 4.482 . 0 0 "[ . 1 . 2]" 1
331 1 47 GLN HA 1 50 ASN H 3.000 . 5.600 3.118 2.967 3.310 . 0 0 "[ . 1 . 2]" 1
332 1 47 GLN H 1 50 ASN HA 3.000 . 5.600 5.463 5.113 5.644 0.044 6 0 "[ . 1 . 2]" 1
333 1 47 GLN H 1 50 ASN H 3.000 . 5.600 4.628 4.488 4.910 . 0 0 "[ . 1 . 2]" 1
334 1 47 GLN H 1 51 ILE H 3.000 . 5.600 4.851 4.643 5.101 . 0 0 "[ . 1 . 2]" 1
335 1 48 SER H 1 48 SER HA 3.000 . 4.600 2.772 2.750 2.813 . 0 0 "[ . 1 . 2]" 1
336 1 48 SER H 1 48 SER HB3 3.000 . 4.600 3.166 2.249 3.587 . 0 0 "[ . 1 . 2]" 1
337 1 48 SER H 1 48 SER HB2 3.000 . 4.600 2.360 2.074 3.542 . 0 0 "[ . 1 . 2]" 1
338 1 48 SER H 1 49 HIS QB 3.000 . 6.000 4.751 4.509 5.133 . 0 0 "[ . 1 . 2]" 1
339 1 48 SER HA 1 49 HIS H 3.000 . 5.600 3.543 3.515 3.552 . 0 0 "[ . 1 . 2]" 1
340 1 48 SER QB 1 49 HIS H 3.000 . 6.000 2.640 2.467 3.306 . 0 0 "[ . 1 . 2]" 1
341 1 48 SER H 1 49 HIS H 3.000 . 5.600 2.814 2.707 2.873 . 0 0 "[ . 1 . 2]" 1
342 1 48 SER QB 1 50 ASN H 3.000 . 6.000 4.381 4.299 4.763 . 0 0 "[ . 1 . 2]" 1
343 1 48 SER H 1 50 ASN H 3.000 . 5.600 3.796 3.690 3.885 . 0 0 "[ . 1 . 2]" 1
344 1 48 SER H 1 50 ASN HA 3.000 . 5.600 5.421 5.253 5.555 . 0 0 "[ . 1 . 2]" 1
345 1 48 SER H 1 51 ILE H 3.000 . 5.600 5.302 4.940 5.633 0.033 2 0 "[ . 1 . 2]" 1
346 1 49 HIS H 1 49 HIS HA 3.000 . 5.600 2.918 2.884 2.947 . 0 0 "[ . 1 . 2]" 1
347 1 49 HIS H 1 49 HIS HB3 3.000 . 5.600 3.291 2.512 3.708 . 0 0 "[ . 1 . 2]" 1
348 1 49 HIS H 1 49 HIS HB2 3.000 . 5.600 2.376 2.129 2.788 . 0 0 "[ . 1 . 2]" 1
349 1 49 HIS HB2 1 50 ASN H 3.000 . 5.600 3.826 3.384 4.395 . 0 0 "[ . 1 . 2]" 1
350 1 49 HIS HB3 1 50 ASN H 3.000 . 5.600 3.926 3.469 4.434 . 0 0 "[ . 1 . 2]" 1
351 1 49 HIS HA 1 50 ASN H 3.000 . 5.600 3.271 3.127 3.381 . 0 0 "[ . 1 . 2]" 1
352 1 49 HIS H 1 50 ASN HA 3.000 . 5.600 4.566 4.371 4.696 . 0 0 "[ . 1 . 2]" 1
353 1 49 HIS H 1 50 ASN QB 3.000 . 6.000 5.079 4.734 5.323 . 0 0 "[ . 1 . 2]" 1
354 1 49 HIS H 1 50 ASN H 3.000 . 4.600 2.392 2.285 2.529 . 0 0 "[ . 1 . 2]" 1
355 1 49 HIS HA 1 51 ILE H 3.000 . 5.600 5.115 4.622 5.470 . 0 0 "[ . 1 . 2]" 1
356 1 49 HIS HB3 1 51 ILE H 3.000 . 5.600 4.077 2.855 5.381 . 0 0 "[ . 1 . 2]" 1
357 1 49 HIS HB2 1 51 ILE H 3.000 . 5.600 4.291 3.538 5.618 0.018 1 0 "[ . 1 . 2]" 1
358 1 49 HIS H 1 51 ILE H 3.000 . 5.600 3.925 3.604 4.169 . 0 0 "[ . 1 . 2]" 1
359 1 49 HIS H 1 51 ILE HB 3.000 . 5.600 5.299 4.877 5.597 . 0 0 "[ . 1 . 2]" 1
360 1 49 HIS H 1 51 ILE MD 3.000 . 6.000 3.822 2.992 4.493 . 0 0 "[ . 1 . 2]" 1
361 1 50 ASN H 1 50 ASN HB3 3.000 . 5.600 4.004 3.656 4.095 . 0 0 "[ . 1 . 2]" 1
362 1 50 ASN H 1 50 ASN HB2 3.000 . 5.600 3.425 3.000 3.722 . 0 0 "[ . 1 . 2]" 1
363 1 50 ASN H 1 50 ASN HA 3.000 . 4.600 2.270 2.264 2.278 . 0 0 "[ . 1 . 2]" 1
364 1 50 ASN HA 1 51 ILE H 3.000 . 4.600 2.675 2.531 2.944 . 0 0 "[ . 1 . 2]" 1
365 1 50 ASN H 1 51 ILE H 3.000 . 4.600 2.813 2.626 3.014 . 0 0 "[ . 1 . 2]" 1
366 1 50 ASN HB3 1 51 ILE H 3.000 . 5.600 4.385 4.248 4.504 . 0 0 "[ . 1 . 2]" 1
367 1 50 ASN HB2 1 51 ILE H 3.000 . 5.600 4.401 4.188 4.652 . 0 0 "[ . 1 . 2]" 1
368 1 50 ASN H 1 51 ILE HB 3.000 . 5.600 5.194 4.905 5.404 . 0 0 "[ . 1 . 2]" 1
369 1 50 ASN H 1 51 ILE MD 3.000 . 6.000 4.590 3.991 5.065 . 0 0 "[ . 1 . 2]" 1
370 1 51 ILE H 1 51 ILE HB 3.000 . 4.600 2.705 2.587 2.849 . 0 0 "[ . 1 . 2]" 1
371 1 51 ILE H 1 51 ILE QG 3.000 . 5.000 2.359 2.099 2.659 . 0 0 "[ . 1 . 2]" 1
372 1 51 ILE H 1 51 ILE HA 3.000 . 5.600 2.940 2.900 2.953 . 0 0 "[ . 1 . 2]" 1
373 1 51 ILE H 1 51 ILE MD 3.000 . 6.000 3.556 3.153 3.879 . 0 0 "[ . 1 . 2]" 1
374 1 51 ILE H 1 51 ILE MG 3.000 . 6.000 3.859 3.804 3.905 . 0 0 "[ . 1 . 2]" 1
375 1 51 ILE H 1 52 PRO HD3 3.000 . 5.600 3.952 3.714 4.267 . 0 0 "[ . 1 . 2]" 1
376 1 51 ILE H 1 52 PRO HD2 3.000 . 5.600 4.921 4.731 5.141 . 0 0 "[ . 1 . 2]" 1
377 1 51 ILE QG 1 111 LEU QD 3.700 . 6.000 5.068 3.181 5.892 . 0 0 "[ . 1 . 2]" 1
378 1 52 PRO HA 1 53 VAL H 3.000 . 4.600 2.172 2.125 2.249 . 0 0 "[ . 1 . 2]" 1
379 1 52 PRO QB 1 53 VAL H 3.000 . 6.000 3.549 3.227 3.738 . 0 0 "[ . 1 . 2]" 1
380 1 52 PRO QG 1 53 VAL H 3.000 . 6.000 4.782 4.658 4.844 . 0 0 "[ . 1 . 2]" 1
381 1 53 VAL H 1 53 VAL HA 3.000 . 5.600 2.890 2.873 2.920 . 0 0 "[ . 1 . 2]" 1
382 1 53 VAL H 1 53 VAL HB 3.000 . 5.600 3.584 2.936 3.995 . 0 0 "[ . 1 . 2]" 1
383 1 53 VAL H 1 53 VAL QG 3.000 . 6.000 2.491 2.145 2.983 . 0 0 "[ . 1 . 2]" 1
384 1 53 VAL MG1 1 54 GLU H 3.000 . 6.000 3.090 1.804 3.894 . 0 0 "[ . 1 . 2]" 1
385 1 53 VAL MG2 1 54 GLU H 3.000 . 6.000 3.291 1.875 4.037 . 0 0 "[ . 1 . 2]" 1
386 1 53 VAL H 1 54 GLU H 3.000 . 5.600 4.379 4.359 4.405 . 0 0 "[ . 1 . 2]" 1
387 1 53 VAL HA 1 54 GLU H 3.000 . 4.600 2.409 2.280 2.480 . 0 0 "[ . 1 . 2]" 1
388 1 54 GLU H 1 54 GLU HA 3.000 . 5.600 2.947 2.941 2.952 . 0 0 "[ . 1 . 2]" 1
389 1 54 GLU H 1 54 GLU QB 3.000 . 6.000 2.868 2.760 3.020 . 0 0 "[ . 1 . 2]" 1
390 1 54 GLU H 1 54 GLU HG3 3.000 . 5.600 3.100 2.182 3.617 . 0 0 "[ . 1 . 2]" 1
391 1 54 GLU H 1 54 GLU HG2 3.000 . 5.600 2.794 2.485 3.587 . 0 0 "[ . 1 . 2]" 1
392 1 54 GLU HA 1 55 LEU H 3.000 . 4.600 2.144 2.113 2.170 . 0 0 "[ . 1 . 2]" 1
393 1 54 GLU QG 1 55 LEU H 3.000 . 6.000 4.609 4.384 4.745 . 0 0 "[ . 1 . 2]" 1
394 1 54 GLU HB2 1 55 LEU H 3.000 . 5.600 4.052 3.440 4.210 . 0 0 "[ . 1 . 2]" 1
395 1 54 GLU HB3 1 55 LEU H 3.000 . 5.600 3.607 3.489 4.305 . 0 0 "[ . 1 . 2]" 1
396 1 54 GLU H 1 55 LEU H 3.000 . 5.600 4.214 4.166 4.276 . 0 0 "[ . 1 . 2]" 1
397 1 55 LEU H 1 55 LEU HA 3.000 . 5.600 2.913 2.890 2.934 . 0 0 "[ . 1 . 2]" 1
398 1 55 LEU H 1 55 LEU MD2 3.000 . 6.000 4.209 3.812 4.423 . 0 0 "[ . 1 . 2]" 1
399 1 55 LEU H 1 55 LEU MD1 3.000 . 6.000 4.203 3.832 4.477 . 0 0 "[ . 1 . 2]" 1
400 1 55 LEU H 1 55 LEU QB 3.000 . 5.000 2.296 2.189 2.365 . 0 0 "[ . 1 . 2]" 1
401 1 55 LEU H 1 55 LEU HG 3.000 . 4.600 4.467 4.209 4.573 . 0 0 "[ . 1 . 2]" 1
402 1 55 LEU HA 1 56 ILE H 3.000 . 4.600 2.125 2.085 2.166 . 0 0 "[ . 1 . 2]" 1
403 1 55 LEU QB 1 56 ILE H 3.000 . 6.000 3.818 3.731 3.892 . 0 0 "[ . 1 . 2]" 1
404 1 55 LEU H 1 56 ILE H 3.000 . 5.600 4.372 4.321 4.418 . 0 0 "[ . 1 . 2]" 1
405 1 55 LEU QD 1 111 LEU QD 3.700 . 6.000 5.698 4.322 6.070 0.070 3 0 "[ . 1 . 2]" 1
406 1 56 ILE H 1 56 ILE HA 3.000 . 5.600 2.940 2.934 2.947 . 0 0 "[ . 1 . 2]" 1
407 1 56 ILE H 1 56 ILE HG13 3.000 . 5.600 3.639 2.107 4.545 . 0 0 "[ . 1 . 2]" 1
408 1 56 ILE H 1 56 ILE HG12 3.000 . 5.600 3.480 1.891 4.850 . 0 0 "[ . 1 . 2]" 1
409 1 56 ILE H 1 56 ILE MG 3.000 . 6.000 2.760 1.977 3.572 . 0 0 "[ . 1 . 2]" 1
410 1 56 ILE H 1 56 ILE HB 3.000 . 4.600 3.148 2.660 3.542 . 0 0 "[ . 1 . 2]" 1
411 1 56 ILE H 1 56 ILE MD 3.000 . 5.500 3.852 1.945 4.629 . 0 0 "[ . 1 . 2]" 1
412 1 56 ILE HA 1 57 GLN H 3.000 . 4.600 2.317 2.304 2.334 . 0 0 "[ . 1 . 2]" 1
413 1 56 ILE MG 1 57 GLN H 3.000 . 6.000 3.340 2.861 3.792 . 0 0 "[ . 1 . 2]" 1
414 1 56 ILE HG12 1 57 GLN H 3.000 . 5.600 3.949 2.697 5.158 . 0 0 "[ . 1 . 2]" 1
415 1 56 ILE HG13 1 57 GLN H 3.000 . 5.600 3.299 1.853 5.192 . 0 0 "[ . 1 . 2]" 1
416 1 56 ILE HB 1 57 GLN H 3.000 . 5.600 3.499 2.791 4.139 . 0 0 "[ . 1 . 2]" 1
417 1 56 ILE MD 1 57 GLN H 3.000 . 6.000 4.054 2.045 4.936 . 0 0 "[ . 1 . 2]" 1
418 1 56 ILE H 1 57 GLN H 3.000 . 5.600 4.555 4.525 4.575 . 0 0 "[ . 1 . 2]" 1
419 1 56 ILE H 1 57 GLN HA 3.000 . 5.600 5.057 4.964 5.120 . 0 0 "[ . 1 . 2]" 1
420 1 56 ILE QG 1 58 CYS H 3.000 . 6.000 5.242 4.322 6.006 0.006 7 0 "[ . 1 . 2]" 1
421 1 56 ILE MG 1 58 CYS H 3.000 . 6.000 5.315 4.259 6.078 0.078 3 0 "[ . 1 . 2]" 1
422 1 56 ILE MD 1 66 TYR QD 3.000 . 7.000 4.210 2.896 5.435 . 0 0 "[ . 1 . 2]" 1
423 1 56 ILE MD 1 66 TYR QE 3.000 . 7.000 4.969 1.794 6.824 0.006 14 0 "[ . 1 . 2]" 1
424 1 56 ILE MG 1 66 TYR QD 3.000 . 7.000 4.760 3.095 5.623 . 0 0 "[ . 1 . 2]" 1
425 1 56 ILE MG 1 66 TYR QE 3.000 . 7.000 5.566 2.255 6.984 . 0 0 "[ . 1 . 2]" 1
426 1 57 GLN H 1 57 GLN HA 3.000 . 5.600 2.942 2.939 2.947 . 0 0 "[ . 1 . 2]" 1
427 1 57 GLN H 1 57 GLN QB 3.000 . 5.000 2.651 2.290 3.097 . 0 0 "[ . 1 . 2]" 1
428 1 57 GLN H 1 57 GLN QG 3.000 . 5.000 3.247 1.858 4.201 . 0 0 "[ . 1 . 2]" 1
429 1 57 GLN HA 1 58 CYS H 3.000 . 4.600 2.210 2.163 2.301 . 0 0 "[ . 1 . 2]" 1
430 1 57 GLN QB 1 58 CYS H 3.000 . 6.000 3.247 2.775 3.793 . 0 0 "[ . 1 . 2]" 1
431 1 57 GLN QG 1 58 CYS H 3.000 . 6.000 3.619 2.423 4.471 . 0 0 "[ . 1 . 2]" 1
432 1 57 GLN H 1 58 CYS H 3.000 . 5.600 4.382 4.277 4.512 . 0 0 "[ . 1 . 2]" 1
433 1 58 CYS H 1 58 CYS HA 3.000 . 5.600 2.895 2.862 2.929 . 0 0 "[ . 1 . 2]" 1
434 1 58 CYS H 1 58 CYS HB3 3.000 . 5.600 3.746 3.506 3.979 . 0 0 "[ . 1 . 2]" 1
435 1 58 CYS H 1 58 CYS HB2 3.000 . 5.600 2.833 2.658 3.117 . 0 0 "[ . 1 . 2]" 1
436 1 58 CYS HA 1 59 ARG H 3.000 . 4.600 2.490 2.478 2.506 . 0 0 "[ . 1 . 2]" 1
437 1 58 CYS HB2 1 59 ARG H 3.000 . 5.600 3.767 3.165 3.983 . 0 0 "[ . 1 . 2]" 1
438 1 58 CYS HB3 1 59 ARG H 3.000 . 5.600 2.466 2.332 2.640 . 0 0 "[ . 1 . 2]" 1
439 1 58 CYS H 1 59 ARG H 3.000 . 5.600 4.404 4.370 4.437 . 0 0 "[ . 1 . 2]" 1
440 1 58 CYS HA 1 66 TYR QE 3.000 . 7.000 5.549 4.323 6.602 . 0 0 "[ . 1 . 2]" 1
441 1 58 CYS HB3 1 66 TYR QD 3.000 . 7.000 4.454 3.494 5.622 . 0 0 "[ . 1 . 2]" 1
442 1 58 CYS HB3 1 66 TYR QE 3.000 . 7.000 4.666 1.976 6.325 . 0 0 "[ . 1 . 2]" 1
443 1 58 CYS HB2 1 66 TYR QD 3.000 . 7.000 4.874 3.909 6.045 . 0 0 "[ . 1 . 2]" 1
444 1 58 CYS HB2 1 66 TYR QE 3.000 . 7.000 5.316 2.106 7.000 . 0 0 "[ . 1 . 2]" 1
445 1 59 ARG H 1 59 ARG QD 3.000 . 6.000 3.036 1.895 4.595 . 0 0 "[ . 1 . 2]" 1
446 1 59 ARG H 1 59 ARG QB 3.000 . 5.000 2.231 2.012 2.502 . 0 0 "[ . 1 . 2]" 1
447 1 59 ARG H 1 59 ARG QG 3.000 . 5.000 3.347 2.061 3.878 . 0 0 "[ . 1 . 2]" 1
448 1 59 ARG HA 1 60 VAL H 3.000 . 4.600 2.797 2.725 2.950 . 0 0 "[ . 1 . 2]" 1
449 1 59 ARG H 1 60 VAL HA 3.000 . 5.600 5.585 5.457 5.679 0.079 4 0 "[ . 1 . 2]" 1
450 1 59 ARG QD 1 60 VAL H 3.000 . 6.000 3.806 1.946 4.590 . 0 0 "[ . 1 . 2]" 1
451 1 59 ARG H 1 60 VAL H 3.000 . 5.600 4.382 4.271 4.428 . 0 0 "[ . 1 . 2]" 1
452 1 59 ARG H 1 60 VAL QG 3.000 . 6.000 5.237 5.006 5.444 . 0 0 "[ . 1 . 2]" 1
453 1 59 ARG H 1 61 ASN H 3.000 . 5.600 4.296 4.098 4.542 . 0 0 "[ . 1 . 2]" 1
454 1 59 ARG HA 1 61 ASN H 3.000 . 5.600 4.349 4.257 4.429 . 0 0 "[ . 1 . 2]" 1
455 1 59 ARG HB3 1 61 ASN H 3.000 . 5.600 2.616 2.071 3.244 . 0 0 "[ . 1 . 2]" 1
456 1 59 ARG HB2 1 61 ASN H 3.000 . 5.600 3.167 2.437 3.960 . 0 0 "[ . 1 . 2]" 1
457 1 59 ARG HB3 1 62 GLU H 3.000 . 5.600 5.100 4.207 5.630 0.030 4 0 "[ . 1 . 2]" 1
458 1 59 ARG HB2 1 62 GLU H 3.000 . 5.600 4.895 4.323 5.632 0.032 10 0 "[ . 1 . 2]" 1
459 1 59 ARG QD 1 62 GLU H 3.000 . 6.000 5.748 5.455 6.007 0.007 1 0 "[ . 1 . 2]" 1
460 1 59 ARG H 1 62 GLU H 3.000 . 5.600 4.683 4.199 5.476 . 0 0 "[ . 1 . 2]" 1
461 1 59 ARG H 1 62 GLU QB 3.000 . 6.000 2.556 1.938 3.253 . 0 0 "[ . 1 . 2]" 1
462 1 59 ARG H 1 63 ILE H 3.000 . 5.600 4.766 4.137 5.318 . 0 0 "[ . 1 . 2]" 1
463 1 60 VAL H 1 60 VAL HA 3.000 . 5.600 2.873 2.833 2.925 . 0 0 "[ . 1 . 2]" 1
464 1 60 VAL H 1 60 VAL HB 3.000 . 4.600 3.023 2.491 3.663 . 0 0 "[ . 1 . 2]" 1
465 1 60 VAL H 1 60 VAL MG1 3.000 . 5.000 3.075 1.906 3.838 . 0 0 "[ . 1 . 2]" 1
466 1 60 VAL H 1 60 VAL MG2 3.000 . 5.000 2.327 1.883 3.789 . 0 0 "[ . 1 . 2]" 1
467 1 60 VAL QG 1 61 ASN H 3.000 . 5.000 2.984 2.146 3.612 . 0 0 "[ . 1 . 2]" 1
468 1 60 VAL HA 1 61 ASN H 3.000 . 5.600 3.391 3.314 3.456 . 0 0 "[ . 1 . 2]" 1
469 1 60 VAL HB 1 61 ASN H 3.000 . 5.600 3.737 3.079 4.375 . 0 0 "[ . 1 . 2]" 1
470 1 60 VAL QG 1 62 GLU H 3.000 . 6.000 4.808 4.456 5.124 . 0 0 "[ . 1 . 2]" 1
471 1 60 VAL HA 1 62 GLU H 3.000 . 5.600 4.513 3.907 4.956 . 0 0 "[ . 1 . 2]" 1
472 1 60 VAL H 1 62 GLU QB 3.000 . 6.000 5.101 4.732 5.513 . 0 0 "[ . 1 . 2]" 1
473 1 60 VAL H 1 62 GLU H 3.000 . 5.600 5.122 4.660 5.461 . 0 0 "[ . 1 . 2]" 1
474 1 60 VAL HA 1 63 ILE H 3.000 . 5.600 5.101 4.416 5.565 . 0 0 "[ . 1 . 2]" 1
475 1 60 VAL QG 1 63 ILE H 3.000 . 6.000 5.590 5.155 5.885 . 0 0 "[ . 1 . 2]" 1
476 1 60 VAL QG 1 63 ILE MD 3.700 . 6.000 4.286 3.011 5.763 . 0 0 "[ . 1 . 2]" 1
477 1 61 ASN H 1 61 ASN HA 3.000 . 5.600 2.933 2.907 2.948 . 0 0 "[ . 1 . 2]" 1
478 1 61 ASN H 1 61 ASN HB3 3.000 . 5.600 3.407 2.924 3.885 . 0 0 "[ . 1 . 2]" 1
479 1 61 ASN H 1 61 ASN HB2 3.000 . 5.600 3.076 2.572 3.796 . 0 0 "[ . 1 . 2]" 1
480 1 61 ASN HB3 1 62 GLU H 3.000 . 5.600 4.387 4.170 4.629 . 0 0 "[ . 1 . 2]" 1
481 1 61 ASN HB2 1 62 GLU H 3.000 . 5.600 4.470 4.258 4.645 . 0 0 "[ . 1 . 2]" 1
482 1 61 ASN H 1 62 GLU H 3.000 . 5.600 3.118 2.722 3.433 . 0 0 "[ . 1 . 2]" 1
483 1 61 ASN H 1 63 ILE H 3.000 . 5.600 4.568 4.246 4.913 . 0 0 "[ . 1 . 2]" 1
484 1 62 GLU H 1 62 GLU HA 3.000 . 4.600 2.901 2.855 2.935 . 0 0 "[ . 1 . 2]" 1
485 1 62 GLU H 1 62 GLU QB 3.000 . 5.000 2.764 2.581 2.859 . 0 0 "[ . 1 . 2]" 1
486 1 62 GLU H 1 63 ILE H 3.000 . 4.600 1.797 1.743 1.865 0.057 18 0 "[ . 1 . 2]" 1
487 1 62 GLU H 1 63 ILE HA 3.000 . 5.600 4.456 4.404 4.542 . 0 0 "[ . 1 . 2]" 1
488 1 62 GLU QB 1 63 ILE H 3.000 . 6.000 2.729 2.596 2.871 . 0 0 "[ . 1 . 2]" 1
489 1 62 GLU HA 1 63 ILE H 3.000 . 5.600 3.514 3.492 3.533 . 0 0 "[ . 1 . 2]" 1
490 1 62 GLU H 1 63 ILE HB 3.000 . 5.600 4.426 3.815 5.212 . 0 0 "[ . 1 . 2]" 1
491 1 62 GLU H 1 63 ILE MD 3.000 . 6.000 3.628 2.295 4.841 . 0 0 "[ . 1 . 2]" 1
492 1 62 GLU H 1 63 ILE HG13 3.000 . 5.600 3.451 2.604 4.263 . 0 0 "[ . 1 . 2]" 1
493 1 62 GLU H 1 63 ILE HG12 3.000 . 5.600 4.331 2.686 5.333 . 0 0 "[ . 1 . 2]" 1
494 1 62 GLU HA 1 64 GLU H 3.000 . 5.600 4.063 3.745 4.464 . 0 0 "[ . 1 . 2]" 1
495 1 62 GLU H 1 64 GLU H 3.000 . 5.600 3.193 2.936 3.588 . 0 0 "[ . 1 . 2]" 1
496 1 62 GLU H 1 65 THR H 3.000 . 5.600 4.465 4.260 4.694 . 0 0 "[ . 1 . 2]" 1
497 1 62 GLU QB 1 65 THR H 3.000 . 6.000 4.714 4.434 5.258 . 0 0 "[ . 1 . 2]" 1
498 1 62 GLU HA 1 65 THR H 3.000 . 5.600 3.320 3.044 3.712 . 0 0 "[ . 1 . 2]" 1
499 1 62 GLU HA 1 66 TYR QE 3.000 . 6.000 4.137 3.013 6.035 0.035 8 0 "[ . 1 . 2]" 1
500 1 62 GLU QB 1 66 TYR QD 3.000 . 6.000 2.958 1.896 4.586 . 0 0 "[ . 1 . 2]" 1
501 1 62 GLU QB 1 66 TYR QE 3.000 . 6.000 3.021 1.833 4.668 . 0 0 "[ . 1 . 2]" 1
502 1 62 GLU H 1 66 TYR H 3.000 . 5.600 5.567 5.399 5.671 0.071 3 0 "[ . 1 . 2]" 1
503 1 63 ILE H 1 63 ILE HB 3.000 . 4.600 3.040 2.524 3.616 . 0 0 "[ . 1 . 2]" 1
504 1 63 ILE H 1 63 ILE HA 3.000 . 5.600 2.772 2.750 2.810 . 0 0 "[ . 1 . 2]" 1
505 1 63 ILE H 1 63 ILE MD 3.000 . 6.000 2.974 1.782 4.005 0.018 3 0 "[ . 1 . 2]" 1
506 1 63 ILE H 1 63 ILE QG 3.000 . 6.000 2.033 1.773 2.611 0.027 10 0 "[ . 1 . 2]" 1
507 1 63 ILE H 1 63 ILE MG 3.000 . 6.000 3.279 2.217 3.774 . 0 0 "[ . 1 . 2]" 1
508 1 63 ILE MG 1 64 GLU H 3.000 . 6.000 3.843 3.482 4.128 . 0 0 "[ . 1 . 2]" 1
509 1 63 ILE QG 1 64 GLU H 3.000 . 6.000 3.333 1.822 4.329 . 0 0 "[ . 1 . 2]" 1
510 1 63 ILE MD 1 64 GLU H 3.000 . 6.000 3.671 2.666 4.826 . 0 0 "[ . 1 . 2]" 1
511 1 63 ILE HA 1 64 GLU H 3.000 . 5.600 3.509 3.451 3.542 . 0 0 "[ . 1 . 2]" 1
512 1 63 ILE HB 1 64 GLU H 3.000 . 5.600 3.019 2.420 3.840 . 0 0 "[ . 1 . 2]" 1
513 1 63 ILE H 1 64 GLU H 3.000 . 5.600 2.747 2.650 2.829 . 0 0 "[ . 1 . 2]" 1
514 1 63 ILE H 1 64 GLU QB 3.000 . 6.000 4.608 4.309 5.002 . 0 0 "[ . 1 . 2]" 1
515 1 63 ILE H 1 65 THR H 3.000 . 5.600 4.284 4.099 4.430 . 0 0 "[ . 1 . 2]" 1
516 1 63 ILE HB 1 65 THR H 3.000 . 5.600 5.222 4.900 5.612 0.012 14 0 "[ . 1 . 2]" 1
517 1 63 ILE HA 1 65 THR H 3.000 . 5.600 4.313 4.058 4.489 . 0 0 "[ . 1 . 2]" 1
518 1 63 ILE H 1 66 TYR H 3.000 . 5.600 4.728 4.570 4.912 . 0 0 "[ . 1 . 2]" 1
519 1 63 ILE HA 1 66 TYR H 3.000 . 5.600 3.419 3.118 3.633 . 0 0 "[ . 1 . 2]" 1
520 1 63 ILE HA 1 66 TYR QD 3.000 . 6.000 3.692 2.013 4.426 . 0 0 "[ . 1 . 2]" 1
521 1 63 ILE HA 1 66 TYR QE 3.000 . 6.000 5.193 2.055 6.054 0.054 4 0 "[ . 1 . 2]" 1
522 1 63 ILE HA 1 67 MET H 3.000 . 5.600 4.431 3.856 4.692 . 0 0 "[ . 1 . 2]" 1
523 1 63 ILE MG 1 67 MET H 3.000 . 6.000 4.905 3.912 6.056 0.056 12 0 "[ . 1 . 2]" 1
524 1 63 ILE HB 1 83 PHE QE 3.000 . 7.000 5.248 3.590 6.498 . 0 0 "[ . 1 . 2]" 1
525 1 63 ILE HB 1 83 PHE HZ 3.000 . 6.000 5.320 3.775 5.900 . 0 0 "[ . 1 . 2]" 1
526 1 63 ILE MD 1 83 PHE QE 3.000 . 7.000 4.751 2.184 6.339 . 0 0 "[ . 1 . 2]" 1
527 1 63 ILE MD 1 83 PHE HZ 3.000 . 6.500 4.518 2.194 6.006 . 0 0 "[ . 1 . 2]" 1
528 1 63 ILE MG 1 83 PHE QE 3.000 . 7.000 5.219 4.048 6.870 . 0 0 "[ . 1 . 2]" 1
529 1 63 ILE MG 1 83 PHE HZ 3.000 . 7.000 5.418 3.187 6.487 . 0 0 "[ . 1 . 2]" 1
530 1 63 ILE HB 1 86 ILE MD 3.700 . 5.000 3.853 2.943 4.628 . 0 0 "[ . 1 . 2]" 1
531 1 64 GLU H 1 64 GLU HA 3.000 . 4.600 2.811 2.745 2.866 . 0 0 "[ . 1 . 2]" 1
532 1 64 GLU H 1 64 GLU QB 3.000 . 5.000 2.294 2.044 2.619 . 0 0 "[ . 1 . 2]" 1
533 1 64 GLU H 1 64 GLU QG 3.000 . 5.000 3.185 1.895 3.969 . 0 0 "[ . 1 . 2]" 1
534 1 64 GLU HA 1 65 THR H 3.000 . 5.600 3.528 3.490 3.561 . 0 0 "[ . 1 . 2]" 1
535 1 64 GLU QB 1 65 THR H 3.000 . 6.000 2.720 2.448 3.578 . 0 0 "[ . 1 . 2]" 1
536 1 64 GLU QG 1 65 THR H 3.000 . 6.000 3.914 2.037 4.551 . 0 0 "[ . 1 . 2]" 1
537 1 64 GLU H 1 65 THR H 3.000 . 5.600 2.654 2.433 2.893 . 0 0 "[ . 1 . 2]" 1
538 1 64 GLU H 1 66 TYR H 3.000 . 5.600 4.111 3.996 4.258 . 0 0 "[ . 1 . 2]" 1
539 1 64 GLU QB 1 66 TYR H 3.000 . 6.000 4.793 4.485 5.421 . 0 0 "[ . 1 . 2]" 1
540 1 64 GLU HA 1 66 TYR H 3.000 . 5.600 4.638 4.422 4.797 . 0 0 "[ . 1 . 2]" 1
541 1 64 GLU HA 1 67 MET H 3.000 . 5.600 3.823 3.583 4.163 . 0 0 "[ . 1 . 2]" 1
542 1 64 GLU H 1 67 MET HG3 3.000 . 5.600 5.336 4.325 5.685 0.085 6 0 "[ . 1 . 2]" 1
543 1 64 GLU H 1 67 MET HG2 3.000 . 5.600 5.208 4.117 5.647 0.047 12 0 "[ . 1 . 2]" 1
544 1 64 GLU H 1 67 MET H 3.000 . 5.600 4.926 4.704 5.273 . 0 0 "[ . 1 . 2]" 1
545 1 64 GLU HA 1 83 PHE QE 3.000 . 7.000 3.860 2.282 5.016 . 0 0 "[ . 1 . 2]" 1
546 1 64 GLU QB 1 83 PHE QE 3.000 . 7.000 3.941 2.621 5.455 . 0 0 "[ . 1 . 2]" 1
547 1 64 GLU QG 1 83 PHE QE 3.000 . 7.000 3.256 1.869 5.792 . 0 0 "[ . 1 . 2]" 1
548 1 65 THR H 1 65 THR HA 3.000 . 4.600 2.870 2.847 2.886 . 0 0 "[ . 1 . 2]" 1
549 1 65 THR H 1 65 THR HB 3.000 . 4.600 3.283 2.658 3.639 . 0 0 "[ . 1 . 2]" 1
550 1 65 THR H 1 65 THR MG 3.000 . 6.000 2.982 1.895 3.773 . 0 0 "[ . 1 . 2]" 1
551 1 65 THR H 1 66 TYR H 3.000 . 4.600 2.500 2.418 2.575 . 0 0 "[ . 1 . 2]" 1
552 1 65 THR HA 1 66 TYR H 3.000 . 5.600 3.543 3.486 3.592 . 0 0 "[ . 1 . 2]" 1
553 1 65 THR HB 1 66 TYR H 3.000 . 5.600 3.223 2.566 3.863 . 0 0 "[ . 1 . 2]" 1
554 1 65 THR MG 1 66 TYR H 3.000 . 6.000 3.954 3.612 4.223 . 0 0 "[ . 1 . 2]" 1
555 1 65 THR HB 1 66 TYR QD 3.000 . 7.000 3.644 2.039 4.733 . 0 0 "[ . 1 . 2]" 1
556 1 65 THR HB 1 66 TYR QE 3.000 . 7.000 4.478 2.898 6.789 . 0 0 "[ . 1 . 2]" 1
557 1 65 THR H 1 67 MET H 3.000 . 5.600 3.819 3.665 4.001 . 0 0 "[ . 1 . 2]" 1
558 1 65 THR H 1 67 MET QG 3.000 . 6.000 5.149 3.930 5.722 . 0 0 "[ . 1 . 2]" 1
559 1 66 TYR H 1 66 TYR HA 3.000 . 5.600 2.903 2.868 2.920 . 0 0 "[ . 1 . 2]" 1
560 1 66 TYR H 1 66 TYR HB3 3.000 . 5.600 3.405 2.376 3.664 . 0 0 "[ . 1 . 2]" 1
561 1 66 TYR H 1 66 TYR HB2 3.000 . 5.600 2.671 2.192 3.706 . 0 0 "[ . 1 . 2]" 1
562 1 66 TYR H 1 67 MET QG 3.000 . 6.000 4.962 4.181 5.438 . 0 0 "[ . 1 . 2]" 1
563 1 66 TYR HA 1 67 MET H 3.000 . 5.600 3.146 3.086 3.311 . 0 0 "[ . 1 . 2]" 1
564 1 66 TYR QB 1 67 MET H 3.000 . 6.000 3.661 3.350 4.005 . 0 0 "[ . 1 . 2]" 1
565 1 66 TYR H 1 67 MET H 3.000 . 4.600 2.640 2.550 2.790 . 0 0 "[ . 1 . 2]" 1
566 1 66 TYR H 1 67 MET QB 3.000 . 6.000 4.204 4.043 4.539 . 0 0 "[ . 1 . 2]" 1
567 1 66 TYR H 1 68 ASP H 3.000 . 5.600 5.195 5.117 5.263 . 0 0 "[ . 1 . 2]" 1
568 1 67 MET H 1 67 MET HA 3.000 . 5.600 2.861 2.820 2.898 . 0 0 "[ . 1 . 2]" 1
569 1 67 MET H 1 67 MET HB3 3.000 . 4.600 3.052 2.678 3.313 . 0 0 "[ . 1 . 2]" 1
570 1 67 MET H 1 67 MET HB2 3.000 . 4.600 2.422 2.043 3.686 . 0 0 "[ . 1 . 2]" 1
571 1 67 MET H 1 67 MET HG3 3.000 . 4.600 3.867 2.141 4.551 . 0 0 "[ . 1 . 2]" 1
572 1 67 MET H 1 67 MET HG2 3.000 . 4.600 3.679 2.711 4.064 . 0 0 "[ . 1 . 2]" 1
573 1 67 MET H 1 68 ASP H 3.000 . 4.600 3.434 3.351 3.552 . 0 0 "[ . 1 . 2]" 1
574 1 67 MET HA 1 68 ASP H 3.000 . 5.600 2.719 2.650 2.750 . 0 0 "[ . 1 . 2]" 1
575 1 67 MET QB 1 68 ASP H 3.000 . 6.000 3.948 3.896 4.074 . 0 0 "[ . 1 . 2]" 1
576 1 67 MET QG 1 68 ASP H 3.000 . 6.000 4.549 3.893 4.905 . 0 0 "[ . 1 . 2]" 1
577 1 67 MET H 1 68 ASP QB 3.000 . 6.000 5.031 4.694 5.492 . 0 0 "[ . 1 . 2]" 1
578 1 67 MET HG3 1 70 VAL H 3.000 . 5.600 5.564 5.179 5.704 0.104 6 0 "[ . 1 . 2]" 1
579 1 67 MET H 1 70 VAL QG 3.000 . 6.000 4.338 3.935 4.977 . 0 0 "[ . 1 . 2]" 1
580 1 68 ASP H 1 68 ASP HA 3.000 . 4.600 2.832 2.770 2.901 . 0 0 "[ . 1 . 2]" 1
581 1 68 ASP H 1 68 ASP QB 3.000 . 5.000 2.190 2.030 2.661 . 0 0 "[ . 1 . 2]" 1
582 1 68 ASP HA 1 69 GLY H 3.000 . 4.600 3.531 3.477 3.573 . 0 0 "[ . 1 . 2]" 1
583 1 68 ASP QB 1 69 GLY H 3.000 . 6.000 2.757 2.473 3.435 . 0 0 "[ . 1 . 2]" 1
584 1 68 ASP H 1 69 GLY H 3.000 . 5.600 2.590 2.315 2.794 . 0 0 "[ . 1 . 2]" 1
585 1 68 ASP H 1 70 VAL H 3.000 . 5.600 4.568 3.848 5.021 . 0 0 "[ . 1 . 2]" 1
586 1 68 ASP HA 1 70 VAL H 3.000 . 5.600 5.220 4.434 5.567 . 0 0 "[ . 1 . 2]" 1
587 1 68 ASP QB 1 70 VAL H 3.000 . 6.000 5.141 4.740 5.888 . 0 0 "[ . 1 . 2]" 1
588 1 69 GLY H 1 69 GLY HA3 3.000 . 4.600 2.709 2.583 2.780 . 0 0 "[ . 1 . 2]" 1
589 1 69 GLY H 1 69 GLY HA2 3.000 . 4.600 2.883 2.836 2.940 . 0 0 "[ . 1 . 2]" 1
590 1 69 GLY HA3 1 70 VAL H 3.000 . 5.600 3.560 3.529 3.587 . 0 0 "[ . 1 . 2]" 1
591 1 69 GLY HA2 1 70 VAL H 3.000 . 5.600 2.565 2.384 2.836 . 0 0 "[ . 1 . 2]" 1
592 1 69 GLY H 1 70 VAL H 3.000 . 5.600 2.808 2.368 3.170 . 0 0 "[ . 1 . 2]" 1
593 1 69 GLY H 1 70 VAL HB 3.000 . 5.600 4.952 3.997 5.596 . 0 0 "[ . 1 . 2]" 1
594 1 69 GLY H 1 70 VAL QG 3.000 . 6.000 2.894 2.568 4.108 . 0 0 "[ . 1 . 2]" 1
595 1 70 VAL H 1 70 VAL HA 3.000 . 5.600 2.918 2.892 2.938 . 0 0 "[ . 1 . 2]" 1
596 1 70 VAL H 1 70 VAL HB 3.000 . 4.600 2.937 2.486 3.678 . 0 0 "[ . 1 . 2]" 1
597 1 70 VAL H 1 70 VAL MG1 3.000 . 4.600 3.284 1.933 3.858 . 0 0 "[ . 1 . 2]" 1
598 1 70 VAL H 1 70 VAL MG2 3.000 . 4.600 2.397 1.928 3.807 . 0 0 "[ . 1 . 2]" 1
599 1 70 VAL HA 1 71 HIS H 3.000 . 4.600 2.154 2.131 2.182 . 0 0 "[ . 1 . 2]" 1
600 1 70 VAL QG 1 71 HIS H 3.000 . 5.000 2.793 2.253 3.532 . 0 0 "[ . 1 . 2]" 1
601 1 70 VAL H 1 71 HIS H 3.000 . 5.600 4.476 4.422 4.522 . 0 0 "[ . 1 . 2]" 1
602 1 70 VAL HA 1 72 LEU H 3.000 . 5.600 3.667 3.588 3.774 . 0 0 "[ . 1 . 2]" 1
603 1 70 VAL QG 1 87 PRO QD 3.700 . 6.000 4.131 3.255 4.929 . 0 0 "[ . 1 . 2]" 1
604 1 71 HIS H 1 71 HIS HA 3.000 . 5.600 2.915 2.897 2.922 . 0 0 "[ . 1 . 2]" 1
605 1 71 HIS H 1 71 HIS HB3 3.000 . 5.600 2.998 2.452 3.639 . 0 0 "[ . 1 . 2]" 1
606 1 71 HIS H 1 71 HIS HB2 3.000 . 5.600 2.443 2.211 2.803 . 0 0 "[ . 1 . 2]" 1
607 1 71 HIS HA 1 72 LEU H 3.000 . 5.600 3.443 3.382 3.498 . 0 0 "[ . 1 . 2]" 1
608 1 71 HIS HB3 1 72 LEU H 3.000 . 5.600 3.348 2.946 4.017 . 0 0 "[ . 1 . 2]" 1
609 1 71 HIS HB2 1 72 LEU H 3.000 . 5.600 3.724 3.162 4.159 . 0 0 "[ . 1 . 2]" 1
610 1 71 HIS H 1 72 LEU QB 3.000 . 6.000 4.482 4.198 4.862 . 0 0 "[ . 1 . 2]" 1
611 1 71 HIS H 1 72 LEU HG 3.000 . 5.600 5.138 4.031 5.628 0.028 9 0 "[ . 1 . 2]" 1
612 1 71 HIS H 1 72 LEU H 3.000 . 4.600 2.241 2.172 2.346 . 0 0 "[ . 1 . 2]" 1
613 1 72 LEU H 1 72 LEU HA 3.000 . 5.600 2.892 2.868 2.909 . 0 0 "[ . 1 . 2]" 1
614 1 72 LEU H 1 72 LEU HB3 3.000 . 5.600 3.848 3.717 3.997 . 0 0 "[ . 1 . 2]" 1
615 1 72 LEU H 1 72 LEU HB2 3.000 . 5.600 2.880 2.769 3.150 . 0 0 "[ . 1 . 2]" 1
616 1 72 LEU H 1 72 LEU HG 3.000 . 5.600 3.696 2.864 4.055 . 0 0 "[ . 1 . 2]" 1
617 1 72 LEU H 1 72 LEU MD1 3.000 . 5.000 3.996 3.273 4.713 . 0 0 "[ . 1 . 2]" 1
618 1 72 LEU H 1 72 LEU MD2 3.000 . 5.000 4.454 3.945 4.806 . 0 0 "[ . 1 . 2]" 1
619 1 72 LEU HA 1 73 ILE H 3.000 . 4.600 2.278 2.226 2.343 . 0 0 "[ . 1 . 2]" 1
620 1 72 LEU HG 1 73 ILE H 3.000 . 5.600 4.554 4.027 5.035 . 0 0 "[ . 1 . 2]" 1
621 1 72 LEU QB 1 73 ILE H 3.000 . 6.000 2.828 2.651 2.987 . 0 0 "[ . 1 . 2]" 1
622 1 72 LEU H 1 73 ILE H 3.000 . 5.600 4.312 4.226 4.353 . 0 0 "[ . 1 . 2]" 1
623 1 73 ILE H 1 73 ILE MD 3.000 . 6.000 3.547 2.468 4.847 . 0 0 "[ . 1 . 2]" 1
624 1 73 ILE H 1 73 ILE QG 3.000 . 6.000 3.045 1.852 3.965 . 0 0 "[ . 1 . 2]" 1
625 1 73 ILE H 1 73 ILE MG 3.000 . 6.000 3.029 1.916 3.911 . 0 0 "[ . 1 . 2]" 1
626 1 73 ILE H 1 73 ILE HA 3.000 . 4.600 2.938 2.917 2.953 . 0 0 "[ . 1 . 2]" 1
627 1 73 ILE H 1 73 ILE HB 3.000 . 4.600 3.349 2.520 3.909 . 0 0 "[ . 1 . 2]" 1
628 1 73 ILE HA 1 74 CYS H 3.000 . 4.600 2.215 2.171 2.254 . 0 0 "[ . 1 . 2]" 1
629 1 73 ILE MG 1 74 CYS H 3.000 . 6.000 3.346 2.116 4.234 . 0 0 "[ . 1 . 2]" 1
630 1 73 ILE HB 1 74 CYS H 3.000 . 5.600 3.574 2.866 4.186 . 0 0 "[ . 1 . 2]" 1
631 1 73 ILE H 1 74 CYS H 3.000 . 5.600 4.399 4.352 4.463 . 0 0 "[ . 1 . 2]" 1
632 1 73 ILE QG 1 75 THR H 3.000 . 6.000 4.758 3.213 6.116 0.116 4 0 "[ . 1 . 2]" 1
633 1 73 ILE MG 1 75 THR H 3.000 . 6.000 4.807 3.142 5.953 . 0 0 "[ . 1 . 2]" 1
634 1 73 ILE MD 1 83 PHE QE 3.000 . 6.000 5.098 3.310 6.023 0.023 5 0 "[ . 1 . 2]" 1
635 1 73 ILE H 1 86 ILE MG 3.000 . 6.000 5.801 4.039 6.207 0.207 12 0 "[ . 1 . 2]" 1
636 1 73 ILE H 1 86 ILE MD 3.000 . 5.500 5.372 4.908 5.606 0.106 8 0 "[ . 1 . 2]" 1
637 1 73 ILE H 1 87 PRO HB3 3.000 . 5.600 5.435 5.248 5.622 0.022 2 0 "[ . 1 . 2]" 1
638 1 73 ILE H 1 87 PRO HB2 3.000 . 5.600 3.854 3.682 4.060 . 0 0 "[ . 1 . 2]" 1
639 1 73 ILE H 1 88 LEU HA 3.000 . 5.600 2.497 1.967 2.868 . 0 0 "[ . 1 . 2]" 1
640 1 73 ILE H 1 88 LEU H 3.000 . 5.600 4.629 4.152 4.944 . 0 0 "[ . 1 . 2]" 1
641 1 73 ILE HB 1 89 VAL H 3.000 . 5.600 4.671 3.364 5.689 0.089 13 0 "[ . 1 . 2]" 1
642 1 73 ILE MG 1 89 VAL H 3.000 . 6.000 4.277 3.349 5.487 . 0 0 "[ . 1 . 2]" 1
643 1 73 ILE H 1 89 VAL H 3.000 . 5.600 4.144 3.828 4.649 . 0 0 "[ . 1 . 2]" 1
644 1 74 CYS H 1 74 CYS HA 3.000 . 5.600 2.943 2.939 2.947 . 0 0 "[ . 1 . 2]" 1
645 1 74 CYS H 1 74 CYS HB3 3.000 . 5.600 3.445 2.720 3.827 . 0 0 "[ . 1 . 2]" 1
646 1 74 CYS H 1 74 CYS HB2 3.000 . 5.600 2.696 2.480 3.105 . 0 0 "[ . 1 . 2]" 1
647 1 74 CYS HA 1 75 THR H 3.000 . 4.600 2.169 2.142 2.184 . 0 0 "[ . 1 . 2]" 1
648 1 74 CYS HB2 1 75 THR H 3.000 . 5.600 4.507 4.306 4.640 . 0 0 "[ . 1 . 2]" 1
649 1 74 CYS HB3 1 75 THR H 3.000 . 5.600 3.928 3.626 4.400 . 0 0 "[ . 1 . 2]" 1
650 1 74 CYS H 1 75 THR HA 3.000 . 6.000 4.912 4.768 5.019 . 0 0 "[ . 1 . 2]" 1
651 1 74 CYS H 1 75 THR H 3.000 . 5.600 4.057 3.978 4.194 . 0 0 "[ . 1 . 2]" 1
652 1 74 CYS H 1 89 VAL H 3.000 . 6.000 4.502 4.356 4.719 . 0 0 "[ . 1 . 2]" 1
653 1 74 CYS QB 1 94 PHE QD 3.000 . 6.500 5.596 4.732 6.366 . 0 0 "[ . 1 . 2]" 1
654 1 75 THR H 1 75 THR HA 3.000 . 5.600 2.934 2.920 2.948 . 0 0 "[ . 1 . 2]" 1
655 1 75 THR H 1 75 THR HB 3.000 . 5.600 3.116 2.697 3.802 . 0 0 "[ . 1 . 2]" 1
656 1 75 THR H 1 75 THR MG 3.000 . 5.000 3.729 2.181 4.007 . 0 0 "[ . 1 . 2]" 1
657 1 75 THR HA 1 76 THR H 3.000 . 4.600 2.263 2.212 2.338 . 0 0 "[ . 1 . 2]" 1
658 1 75 THR H 1 76 THR H 3.000 . 5.600 4.406 4.356 4.459 . 0 0 "[ . 1 . 2]" 1
659 1 75 THR HB 1 76 THR H 3.000 . 5.600 3.524 2.834 3.995 . 0 0 "[ . 1 . 2]" 1
660 1 75 THR MG 1 76 THR H 3.000 . 6.000 2.570 1.920 3.856 . 0 0 "[ . 1 . 2]" 1
661 1 75 THR MG 1 77 ALA H 3.000 . 6.000 3.799 2.633 5.251 . 0 0 "[ . 1 . 2]" 1
662 1 75 THR HB 1 77 ALA H 3.000 . 5.600 3.717 2.960 5.471 . 0 0 "[ . 1 . 2]" 1
663 1 75 THR HA 1 77 ALA H 3.000 . 5.600 4.747 4.294 5.065 . 0 0 "[ . 1 . 2]" 1
664 1 75 THR MG 1 79 VAL H 3.000 . 6.500 4.943 3.406 6.362 . 0 0 "[ . 1 . 2]" 1
665 1 75 THR HB 1 79 VAL H 3.000 . 5.600 4.945 3.028 5.628 0.028 5 0 "[ . 1 . 2]" 1
666 1 75 THR H 1 89 VAL HA 3.000 . 6.000 4.869 4.497 5.139 . 0 0 "[ . 1 . 2]" 1
667 1 75 THR H 1 89 VAL QG 3.000 . 6.000 4.210 3.391 4.937 . 0 0 "[ . 1 . 2]" 1
668 1 75 THR H 1 89 VAL H 3.000 . 5.600 3.056 2.676 3.519 . 0 0 "[ . 1 . 2]" 1
669 1 75 THR MG 1 90 HIS HD2 3.000 . 6.000 5.247 2.983 5.996 . 0 0 "[ . 1 . 2]" 1
670 1 75 THR H 1 90 HIS HA 3.000 . 5.600 3.601 3.375 3.914 . 0 0 "[ . 1 . 2]" 1
671 1 75 THR H 1 90 HIS QB 3.000 . 6.000 5.502 4.929 5.826 . 0 0 "[ . 1 . 2]" 1
672 1 75 THR H 1 91 GLY H 3.000 . 5.600 4.787 4.256 5.064 . 0 0 "[ . 1 . 2]" 1
673 1 76 THR H 1 76 THR HA 3.000 . 5.600 2.913 2.844 2.944 . 0 0 "[ . 1 . 2]" 1
674 1 76 THR H 1 76 THR HB 3.000 . 5.600 3.248 2.633 3.693 . 0 0 "[ . 1 . 2]" 1
675 1 76 THR H 1 76 THR MG 3.000 . 6.000 3.178 1.870 3.936 . 0 0 "[ . 1 . 2]" 1
676 1 76 THR MG 1 77 ALA H 3.000 . 6.000 4.122 3.729 4.392 . 0 0 "[ . 1 . 2]" 1
677 1 76 THR HB 1 77 ALA H 3.000 . 5.600 4.322 4.184 4.651 . 0 0 "[ . 1 . 2]" 1
678 1 76 THR HA 1 77 ALA H 3.000 . 5.600 2.466 2.330 2.731 . 0 0 "[ . 1 . 2]" 1
679 1 76 THR H 1 77 ALA H 3.000 . 5.600 3.588 2.796 3.872 . 0 0 "[ . 1 . 2]" 1
680 1 76 THR H 1 77 ALA HA 3.000 . 5.600 5.338 4.537 5.637 0.037 19 0 "[ . 1 . 2]" 1
681 1 76 THR HA 1 90 HIS HD2 3.000 . 6.500 3.539 2.496 4.782 . 0 0 "[ . 1 . 2]" 1
682 1 76 THR HB 1 90 HIS HD2 3.000 . 6.500 5.895 4.590 6.502 0.002 11 0 "[ . 1 . 2]" 1
683 1 76 THR HA 1 91 GLY H 3.000 . 5.600 3.150 2.285 3.804 . 0 0 "[ . 1 . 2]" 1
684 1 76 THR MG 1 91 GLY H 3.000 . 6.000 2.964 1.986 4.759 . 0 0 "[ . 1 . 2]" 1
685 1 76 THR HA 1 92 MET H 3.000 . 5.600 4.735 4.210 5.322 . 0 0 "[ . 1 . 2]" 1
686 1 76 THR MG 1 92 MET H 3.000 . 6.000 3.815 2.598 5.799 . 0 0 "[ . 1 . 2]" 1
687 1 77 ALA H 1 77 ALA MB 3.000 . 5.000 2.747 2.336 2.947 . 0 0 "[ . 1 . 2]" 1
688 1 77 ALA H 1 77 ALA HA 3.000 . 4.600 2.743 2.275 2.947 . 0 0 "[ . 1 . 2]" 1
689 1 77 ALA HA 1 78 ARG H 3.000 . 4.600 2.790 2.185 3.572 . 0 0 "[ . 1 . 2]" 1
690 1 77 ALA MB 1 78 ARG H 3.000 . 6.000 2.680 1.810 3.634 . 0 0 "[ . 1 . 2]" 1
691 1 77 ALA H 1 78 ARG H 3.000 . 5.600 3.540 1.767 4.640 0.033 2 0 "[ . 1 . 2]" 1
692 1 77 ALA HA 1 79 VAL H 3.000 . 5.600 4.752 3.641 5.598 . 0 0 "[ . 1 . 2]" 1
693 1 77 ALA MB 1 79 VAL H 3.000 . 6.000 3.611 2.496 5.496 . 0 0 "[ . 1 . 2]" 1
694 1 77 ALA H 1 79 VAL H 3.000 . 5.600 4.592 3.846 5.532 . 0 0 "[ . 1 . 2]" 1
695 1 78 ARG H 1 78 ARG HB3 3.000 . 5.600 3.436 2.632 4.146 . 0 0 "[ . 1 . 2]" 1
696 1 78 ARG H 1 78 ARG HB2 3.000 . 5.600 2.925 2.090 3.929 . 0 0 "[ . 1 . 2]" 1
697 1 78 ARG H 1 78 ARG HG2 3.000 . 5.600 4.340 2.134 5.313 . 0 0 "[ . 1 . 2]" 1
698 1 78 ARG H 1 78 ARG HG3 3.000 . 5.600 4.104 2.641 4.789 . 0 0 "[ . 1 . 2]" 1
699 1 78 ARG HA 1 79 VAL H 3.000 . 4.600 2.754 2.308 3.567 . 0 0 "[ . 1 . 2]" 1
700 1 78 ARG HB2 1 79 VAL H 3.000 . 5.600 4.305 2.500 4.668 . 0 0 "[ . 1 . 2]" 1
701 1 78 ARG QG 1 79 VAL H 3.000 . 6.000 4.163 3.489 4.738 . 0 0 "[ . 1 . 2]" 1
702 1 78 ARG H 1 79 VAL H 3.000 . 5.600 3.116 2.042 4.022 . 0 0 "[ . 1 . 2]" 1
703 1 78 ARG HB3 1 79 VAL H 3.000 . 5.600 3.974 2.110 4.645 . 0 0 "[ . 1 . 2]" 1
704 1 78 ARG HA 1 90 HIS HD2 3.000 . 6.500 4.922 3.740 6.602 0.102 19 0 "[ . 1 . 2]" 1
705 1 79 VAL H 1 79 VAL HA 3.000 . 5.600 2.862 2.792 2.933 . 0 0 "[ . 1 . 2]" 1
706 1 79 VAL H 1 79 VAL HB 3.000 . 5.600 3.269 2.281 3.661 . 0 0 "[ . 1 . 2]" 1
707 1 79 VAL H 1 79 VAL MG1 3.000 . 5.000 2.686 1.947 3.854 . 0 0 "[ . 1 . 2]" 1
708 1 79 VAL H 1 79 VAL MG2 3.000 . 5.000 2.278 1.840 3.770 . 0 0 "[ . 1 . 2]" 1
709 1 79 VAL HA 1 80 ASP H 3.000 . 4.600 2.681 2.284 3.022 . 0 0 "[ . 1 . 2]" 1
710 1 79 VAL HB 1 80 ASP H 3.000 . 5.600 3.151 1.891 4.568 . 0 0 "[ . 1 . 2]" 1
711 1 79 VAL QG 1 80 ASP H 3.000 . 6.000 2.994 1.815 3.765 . 0 0 "[ . 1 . 2]" 1
712 1 79 VAL H 1 80 ASP H 3.000 . 5.600 4.039 2.698 4.629 . 0 0 "[ . 1 . 2]" 1
713 1 79 VAL H 1 80 ASP HA 3.000 . 5.600 5.301 4.678 5.583 . 0 0 "[ . 1 . 2]" 1
714 1 79 VAL HB 1 81 ARG H 3.000 . 5.600 3.782 2.405 5.621 0.021 2 0 "[ . 1 . 2]" 1
715 1 79 VAL H 1 81 ARG H 3.000 . 5.600 5.204 4.734 5.620 0.020 7 0 "[ . 1 . 2]" 1
716 1 79 VAL HB 1 83 PHE QD 3.000 . 7.000 4.376 2.506 6.402 . 0 0 "[ . 1 . 2]" 1
717 1 79 VAL MG1 1 83 PHE QE 3.000 . 6.000 3.440 1.921 4.797 . 0 0 "[ . 1 . 2]" 1
718 1 79 VAL MG2 1 83 PHE QE 3.000 . 6.000 3.335 2.022 4.301 . 0 0 "[ . 1 . 2]" 1
719 1 79 VAL H 1 90 HIS HD2 3.000 . 5.600 5.129 3.820 5.640 0.040 14 0 "[ . 1 . 2]" 1
720 1 80 ASP H 1 80 ASP HA 3.000 . 5.600 2.923 2.869 2.946 . 0 0 "[ . 1 . 2]" 1
721 1 80 ASP H 1 80 ASP HB3 3.000 . 5.600 3.055 2.428 3.664 . 0 0 "[ . 1 . 2]" 1
722 1 80 ASP H 1 80 ASP HB2 3.000 . 5.600 2.901 2.311 3.687 . 0 0 "[ . 1 . 2]" 1
723 1 80 ASP HB3 1 81 ARG H 3.000 . 5.600 3.796 3.060 4.514 . 0 0 "[ . 1 . 2]" 1
724 1 80 ASP HB2 1 81 ARG H 3.000 . 5.600 3.819 3.070 4.276 . 0 0 "[ . 1 . 2]" 1
725 1 80 ASP H 1 81 ARG H 3.000 . 5.600 2.211 2.025 2.602 . 0 0 "[ . 1 . 2]" 1
726 1 80 ASP H 1 83 PHE H 3.000 . 5.600 5.404 4.623 5.632 0.032 15 0 "[ . 1 . 2]" 1
727 1 81 ARG H 1 81 ARG QD 3.000 . 6.000 4.307 2.642 5.186 . 0 0 "[ . 1 . 2]" 1
728 1 81 ARG H 1 81 ARG HB3 3.000 . 4.600 3.307 2.680 3.909 . 0 0 "[ . 1 . 2]" 1
729 1 81 ARG H 1 81 ARG HB2 3.000 . 4.600 3.032 2.066 3.970 . 0 0 "[ . 1 . 2]" 1
730 1 81 ARG H 1 81 ARG QG 3.000 . 5.000 3.476 1.915 4.158 . 0 0 "[ . 1 . 2]" 1
731 1 81 ARG QB 1 82 SER H 3.000 . 5.000 3.528 1.997 4.057 . 0 0 "[ . 1 . 2]" 1
732 1 81 ARG H 1 82 SER H 3.000 . 5.600 2.822 2.324 3.151 . 0 0 "[ . 1 . 2]" 1
733 1 81 ARG QD 1 82 SER H 3.000 . 6.000 5.023 2.320 6.017 0.017 5 0 "[ . 1 . 2]" 1
734 1 81 ARG QG 1 82 SER H 3.000 . 6.000 4.108 2.378 4.802 . 0 0 "[ . 1 . 2]" 1
735 1 81 ARG H 1 83 PHE H 3.000 . 5.600 4.237 3.742 4.861 . 0 0 "[ . 1 . 2]" 1
736 1 81 ARG QB 1 83 PHE QD 3.000 . 7.000 5.627 4.696 6.512 . 0 0 "[ . 1 . 2]" 1
737 1 82 SER H 1 82 SER HB3 3.000 . 5.600 3.425 2.699 3.991 . 0 0 "[ . 1 . 2]" 1
738 1 82 SER H 1 82 SER HB2 3.000 . 5.600 2.963 2.427 3.866 . 0 0 "[ . 1 . 2]" 1
739 1 82 SER H 1 82 SER HA 3.000 . 4.600 2.927 2.859 2.948 . 0 0 "[ . 1 . 2]" 1
740 1 82 SER HA 1 83 PHE H 3.000 . 4.600 3.108 2.153 3.545 . 0 0 "[ . 1 . 2]" 1
741 1 82 SER HB3 1 83 PHE H 3.000 . 5.600 4.051 2.766 4.655 . 0 0 "[ . 1 . 2]" 1
742 1 82 SER HB2 1 83 PHE H 3.000 . 5.600 4.093 3.032 4.481 . 0 0 "[ . 1 . 2]" 1
743 1 82 SER H 1 83 PHE H 3.000 . 5.600 2.146 1.841 3.705 . 0 0 "[ . 1 . 2]" 1
744 1 82 SER H 1 83 PHE HA 3.000 . 5.600 4.471 4.280 4.636 . 0 0 "[ . 1 . 2]" 1
745 1 82 SER H 1 83 PHE QD 3.000 . 6.000 3.184 2.306 5.088 . 0 0 "[ . 1 . 2]" 1
746 1 82 SER HA 1 84 GLY H 3.000 . 5.600 4.622 3.154 5.437 . 0 0 "[ . 1 . 2]" 1
747 1 83 PHE H 1 83 PHE HA 3.000 . 5.600 2.917 2.855 2.951 . 0 0 "[ . 1 . 2]" 1
748 1 83 PHE H 1 83 PHE HB3 3.000 . 5.600 3.058 2.691 3.625 . 0 0 "[ . 1 . 2]" 1
749 1 83 PHE H 1 83 PHE HB2 3.000 . 5.600 3.150 2.187 3.750 . 0 0 "[ . 1 . 2]" 1
750 1 83 PHE H 1 83 PHE QD 3.000 . 5.600 2.585 1.832 4.318 . 0 0 "[ . 1 . 2]" 1
751 1 83 PHE HA 1 84 GLY H 3.000 . 4.600 2.669 2.133 3.562 . 0 0 "[ . 1 . 2]" 1
752 1 83 PHE HB3 1 84 GLY H 3.000 . 5.600 4.123 2.605 4.690 . 0 0 "[ . 1 . 2]" 1
753 1 83 PHE HB2 1 84 GLY H 3.000 . 5.600 3.686 2.696 4.599 . 0 0 "[ . 1 . 2]" 1
754 1 83 PHE QD 1 84 GLY H 3.000 . 6.000 4.545 3.618 4.968 . 0 0 "[ . 1 . 2]" 1
755 1 83 PHE H 1 84 GLY H 3.000 . 5.600 3.471 2.150 4.345 . 0 0 "[ . 1 . 2]" 1
756 1 83 PHE QE 1 86 ILE HB 3.000 . 6.000 3.418 2.314 4.650 . 0 0 "[ . 1 . 2]" 1
757 1 83 PHE QE 1 86 ILE QG 3.000 . 7.000 3.825 1.858 4.611 . 0 0 "[ . 1 . 2]" 1
758 1 83 PHE QE 1 86 ILE MG 3.000 . 7.000 2.920 2.243 4.093 . 0 0 "[ . 1 . 2]" 1
759 1 83 PHE QD 1 86 ILE H 3.000 . 6.000 4.269 3.069 4.996 . 0 0 "[ . 1 . 2]" 1
760 1 83 PHE H 1 86 ILE H 3.000 . 5.600 5.044 4.366 5.477 . 0 0 "[ . 1 . 2]" 1
761 1 83 PHE QE 1 88 LEU MD1 3.000 . 7.000 4.804 3.965 5.745 . 0 0 "[ . 1 . 2]" 1
762 1 83 PHE HZ 1 88 LEU MD1 3.000 . 6.500 5.472 3.468 6.574 0.074 20 0 "[ . 1 . 2]" 1
763 1 83 PHE HZ 1 88 LEU MD2 3.000 . 6.500 4.285 2.091 6.530 0.030 11 0 "[ . 1 . 2]" 1
764 1 83 PHE QE 1 88 LEU MD2 3.000 . 6.000 3.795 2.209 5.488 . 0 0 "[ . 1 . 2]" 1
765 1 84 GLY H 1 84 GLY HA3 3.000 . 4.600 2.885 2.797 2.956 . 0 0 "[ . 1 . 2]" 1
766 1 84 GLY H 1 84 GLY HA2 3.000 . 4.600 2.396 2.294 2.601 . 0 0 "[ . 1 . 2]" 1
767 1 84 GLY QA 1 85 ASP H 3.000 . 5.000 2.232 2.102 2.731 . 0 0 "[ . 1 . 2]" 1
768 1 84 GLY H 1 85 ASP H 3.000 . 5.600 4.058 2.890 4.540 . 0 0 "[ . 1 . 2]" 1
769 1 84 GLY H 1 86 ILE H 3.000 . 5.600 4.725 3.344 5.433 . 0 0 "[ . 1 . 2]" 1
770 1 84 GLY HA3 1 86 ILE H 3.000 . 5.600 3.788 3.399 4.578 . 0 0 "[ . 1 . 2]" 1
771 1 84 GLY HA2 1 86 ILE H 3.000 . 5.600 4.910 4.715 5.059 . 0 0 "[ . 1 . 2]" 1
772 1 85 ASP H 1 85 ASP HA 3.000 . 5.600 2.892 2.853 2.928 . 0 0 "[ . 1 . 2]" 1
773 1 85 ASP H 1 85 ASP HB3 3.000 . 5.600 3.428 3.051 3.771 . 0 0 "[ . 1 . 2]" 1
774 1 85 ASP H 1 85 ASP HB2 3.000 . 5.600 3.234 2.647 3.950 . 0 0 "[ . 1 . 2]" 1
775 1 85 ASP HA 1 86 ILE H 3.000 . 5.600 2.996 2.922 3.072 . 0 0 "[ . 1 . 2]" 1
776 1 85 ASP HB3 1 86 ILE H 3.000 . 5.600 4.245 3.907 4.645 . 0 0 "[ . 1 . 2]" 1
777 1 85 ASP HB2 1 86 ILE H 3.000 . 5.600 4.319 4.004 4.481 . 0 0 "[ . 1 . 2]" 1
778 1 85 ASP H 1 86 ILE H 3.000 . 5.600 1.955 1.847 2.089 . 0 0 "[ . 1 . 2]" 1
779 1 85 ASP H 1 86 ILE HB 3.000 . 5.600 3.887 3.718 4.156 . 0 0 "[ . 1 . 2]" 1
780 1 85 ASP H 1 86 ILE QG 3.000 . 6.000 5.076 2.877 5.605 . 0 0 "[ . 1 . 2]" 1
781 1 85 ASP H 1 87 PRO HD3 3.000 . 5.600 5.225 5.089 5.325 . 0 0 "[ . 1 . 2]" 1
782 1 85 ASP H 1 87 PRO HD2 3.000 . 5.600 5.648 5.598 5.705 0.105 15 0 "[ . 1 . 2]" 1
783 1 86 ILE H 1 86 ILE HG13 3.000 . 4.600 4.260 3.483 4.463 . 0 0 "[ . 1 . 2]" 1
784 1 86 ILE H 1 86 ILE HG12 3.000 . 4.600 4.240 2.312 4.637 0.037 20 0 "[ . 1 . 2]" 1
785 1 86 ILE H 1 86 ILE HB 3.000 . 4.600 2.449 2.212 2.610 . 0 0 "[ . 1 . 2]" 1
786 1 86 ILE H 1 86 ILE HA 3.000 . 5.600 2.765 2.731 2.817 . 0 0 "[ . 1 . 2]" 1
787 1 86 ILE H 1 86 ILE MD 3.000 . 6.000 4.201 3.594 4.402 . 0 0 "[ . 1 . 2]" 1
788 1 86 ILE H 1 86 ILE MG 3.000 . 6.000 2.429 2.042 3.730 . 0 0 "[ . 1 . 2]" 1
789 1 86 ILE H 1 87 PRO HD3 3.000 . 5.600 4.448 4.352 4.510 . 0 0 "[ . 1 . 2]" 1
790 1 86 ILE H 1 87 PRO HD2 3.000 . 5.600 4.585 4.543 4.623 . 0 0 "[ . 1 . 2]" 1
791 1 86 ILE MG 1 88 LEU H 3.000 . 6.000 3.206 2.711 3.494 . 0 0 "[ . 1 . 2]" 1
792 1 87 PRO HB3 1 88 LEU H 3.000 . 5.600 4.601 4.538 4.655 . 0 0 "[ . 1 . 2]" 1
793 1 87 PRO HB2 1 88 LEU H 3.000 . 5.600 4.296 4.218 4.349 . 0 0 "[ . 1 . 2]" 1
794 1 87 PRO HA 1 88 LEU H 3.000 . 4.600 2.493 2.382 2.616 . 0 0 "[ . 1 . 2]" 1
795 1 88 LEU H 1 88 LEU HA 3.000 . 5.600 2.926 2.919 2.936 . 0 0 "[ . 1 . 2]" 1
796 1 88 LEU H 1 88 LEU MD1 3.000 . 6.000 3.517 1.957 4.430 . 0 0 "[ . 1 . 2]" 1
797 1 88 LEU H 1 88 LEU MD2 3.000 . 6.000 3.034 1.927 4.256 . 0 0 "[ . 1 . 2]" 1
798 1 88 LEU H 1 88 LEU HG 3.000 . 5.600 2.622 1.839 4.513 . 0 0 "[ . 1 . 2]" 1
799 1 88 LEU H 1 88 LEU HB3 3.000 . 4.600 2.894 2.397 3.653 . 0 0 "[ . 1 . 2]" 1
800 1 88 LEU H 1 88 LEU HB2 3.000 . 4.600 3.566 2.671 3.734 . 0 0 "[ . 1 . 2]" 1
801 1 88 LEU HA 1 89 VAL H 3.000 . 4.600 2.335 2.178 2.381 . 0 0 "[ . 1 . 2]" 1
802 1 88 LEU QB 1 89 VAL H 3.000 . 6.000 2.582 2.392 3.470 . 0 0 "[ . 1 . 2]" 1
803 1 88 LEU QD 1 89 VAL H 3.000 . 6.000 3.227 2.367 4.130 . 0 0 "[ . 1 . 2]" 1
804 1 88 LEU H 1 89 VAL H 3.000 . 5.600 4.555 4.527 4.575 . 0 0 "[ . 1 . 2]" 1
805 1 88 LEU H 1 89 VAL HA 3.000 . 5.600 5.203 5.055 5.259 . 0 0 "[ . 1 . 2]" 1
806 1 88 LEU MD1 1 90 HIS HD2 3.000 . 6.500 4.031 3.009 5.525 . 0 0 "[ . 1 . 2]" 1
807 1 88 LEU MD2 1 90 HIS HD2 3.000 . 6.500 5.396 2.422 6.461 . 0 0 "[ . 1 . 2]" 1
808 1 89 VAL H 1 89 VAL HA 3.000 . 5.600 2.925 2.903 2.942 . 0 0 "[ . 1 . 2]" 1
809 1 89 VAL H 1 89 VAL HB 3.000 . 5.600 3.298 2.836 3.941 . 0 0 "[ . 1 . 2]" 1
810 1 89 VAL H 1 89 VAL MG1 3.000 . 5.000 3.406 2.044 4.020 . 0 0 "[ . 1 . 2]" 1
811 1 89 VAL H 1 89 VAL MG2 3.000 . 5.000 2.797 1.977 3.976 . 0 0 "[ . 1 . 2]" 1
812 1 89 VAL HA 1 90 HIS H 3.000 . 4.600 2.308 2.242 2.430 . 0 0 "[ . 1 . 2]" 1
813 1 89 VAL HB 1 90 HIS H 3.000 . 4.600 3.351 2.510 3.915 . 0 0 "[ . 1 . 2]" 1
814 1 89 VAL QG 1 90 HIS H 3.000 . 6.000 2.349 1.815 3.333 . 0 0 "[ . 1 . 2]" 1
815 1 89 VAL H 1 90 HIS H 3.000 . 5.600 4.400 4.377 4.418 . 0 0 "[ . 1 . 2]" 1
816 1 90 HIS H 1 90 HIS HA 3.000 . 5.600 2.898 2.882 2.945 . 0 0 "[ . 1 . 2]" 1
817 1 90 HIS H 1 90 HIS HD2 3.000 . 5.600 3.935 3.075 4.948 . 0 0 "[ . 1 . 2]" 1
818 1 90 HIS H 1 90 HIS HB3 3.000 . 4.600 3.524 2.975 3.753 . 0 0 "[ . 1 . 2]" 1
819 1 90 HIS H 1 90 HIS HB2 3.000 . 4.600 2.433 2.123 2.866 . 0 0 "[ . 1 . 2]" 1
820 1 90 HIS HA 1 91 GLY H 3.000 . 4.600 2.251 2.142 2.296 . 0 0 "[ . 1 . 2]" 1
821 1 90 HIS HD2 1 91 GLY H 3.000 . 5.600 4.554 3.562 5.401 . 0 0 "[ . 1 . 2]" 1
822 1 90 HIS QB 1 91 GLY H 3.000 . 6.000 2.900 2.702 3.349 . 0 0 "[ . 1 . 2]" 1
823 1 90 HIS H 1 91 GLY H 3.000 . 5.600 4.581 4.354 4.608 . 0 0 "[ . 1 . 2]" 1
824 1 90 HIS HA 1 92 MET H 3.000 . 5.600 4.009 3.762 4.231 . 0 0 "[ . 1 . 2]" 1
825 1 91 GLY QA 1 92 MET H 3.000 . 6.000 2.822 2.715 2.909 . 0 0 "[ . 1 . 2]" 1
826 1 91 GLY H 1 92 MET H 3.000 . 5.600 2.589 2.241 3.183 . 0 0 "[ . 1 . 2]" 1
827 1 91 GLY H 1 92 MET HB3 3.000 . 5.600 5.362 4.905 5.633 0.033 18 0 "[ . 1 . 2]" 1
828 1 91 GLY H 1 92 MET HB2 3.000 . 5.600 4.397 3.975 5.282 . 0 0 "[ . 1 . 2]" 1
829 1 91 GLY HA2 1 94 PHE H 3.000 . 5.600 3.152 3.040 3.250 . 0 0 "[ . 1 . 2]" 1
830 1 91 GLY HA3 1 94 PHE QD 3.000 . 7.000 4.486 3.865 5.047 . 0 0 "[ . 1 . 2]" 1
831 1 91 GLY HA3 1 94 PHE QE 3.000 . 7.000 6.516 5.721 7.012 0.012 5 0 "[ . 1 . 2]" 1
832 1 91 GLY HA2 1 94 PHE QD 3.000 . 7.000 4.200 3.173 4.822 . 0 0 "[ . 1 . 2]" 1
833 1 91 GLY HA2 1 94 PHE QE 3.000 . 7.000 6.130 5.393 6.677 . 0 0 "[ . 1 . 2]" 1
834 1 91 GLY HA3 1 94 PHE H 3.000 . 5.600 4.043 3.638 4.296 . 0 0 "[ . 1 . 2]" 1
835 1 91 GLY H 1 103 LEU QD 3.000 . 6.000 5.718 5.216 6.065 0.065 4 0 "[ . 1 . 2]" 1
836 1 92 MET H 1 92 MET QG 3.000 . 6.000 3.821 2.070 4.062 . 0 0 "[ . 1 . 2]" 1
837 1 92 MET H 1 92 MET HA 3.000 . 4.600 2.774 2.726 2.823 . 0 0 "[ . 1 . 2]" 1
838 1 92 MET H 1 92 MET HB3 3.000 . 4.600 2.848 2.451 3.571 . 0 0 "[ . 1 . 2]" 1
839 1 92 MET H 1 92 MET HB2 3.000 . 4.600 2.317 2.094 2.743 . 0 0 "[ . 1 . 2]" 1
840 1 92 MET H 1 93 PRO QD 3.000 . 6.000 2.164 2.051 2.289 . 0 0 "[ . 1 . 2]" 1
841 1 92 MET QB 1 94 PHE H 3.000 . 6.000 4.558 4.411 4.712 . 0 0 "[ . 1 . 2]" 1
842 1 92 MET H 1 103 LEU QD 3.000 . 6.000 4.944 4.621 5.381 . 0 0 "[ . 1 . 2]" 1
843 1 93 PRO HA 1 94 PHE H 3.000 . 4.600 3.517 3.445 3.563 . 0 0 "[ . 1 . 2]" 1
844 1 93 PRO QB 1 94 PHE H 3.000 . 6.000 3.285 3.123 3.519 . 0 0 "[ . 1 . 2]" 1
845 1 93 PRO QD 1 94 PHE H 3.000 . 6.000 2.529 2.371 2.681 . 0 0 "[ . 1 . 2]" 1
846 1 93 PRO QG 1 94 PHE H 3.000 . 6.000 2.424 2.208 2.803 . 0 0 "[ . 1 . 2]" 1
847 1 93 PRO HA 1 97 GLY H 3.000 . 5.600 5.216 4.747 5.589 . 0 0 "[ . 1 . 2]" 1
848 1 94 PHE H 1 94 PHE QD 3.000 . 6.600 3.766 3.284 4.097 . 0 0 "[ . 1 . 2]" 1
849 1 94 PHE H 1 94 PHE QE 3.000 . 6.600 5.814 5.446 6.092 . 0 0 "[ . 1 . 2]" 1
850 1 94 PHE H 1 94 PHE HA 3.000 . 4.600 2.839 2.805 2.904 . 0 0 "[ . 1 . 2]" 1
851 1 94 PHE H 1 94 PHE QB 3.000 . 5.000 2.097 2.048 2.186 . 0 0 "[ . 1 . 2]" 1
852 1 94 PHE H 1 95 VAL H 3.000 . 4.600 2.566 2.345 2.653 . 0 0 "[ . 1 . 2]" 1
853 1 94 PHE HA 1 95 VAL H 3.000 . 5.600 3.515 3.498 3.526 . 0 0 "[ . 1 . 2]" 1
854 1 94 PHE HB3 1 95 VAL H 3.000 . 5.600 2.939 2.746 3.155 . 0 0 "[ . 1 . 2]" 1
855 1 94 PHE QD 1 95 VAL H 3.000 . 6.600 4.543 4.204 4.686 . 0 0 "[ . 1 . 2]" 1
856 1 94 PHE HB2 1 95 VAL H 3.000 . 5.600 3.385 3.180 3.687 . 0 0 "[ . 1 . 2]" 1
857 1 94 PHE H 1 95 VAL HB 3.000 . 5.600 4.926 4.636 5.064 . 0 0 "[ . 1 . 2]" 1
858 1 94 PHE H 1 95 VAL QG 3.000 . 6.000 3.872 3.495 4.082 . 0 0 "[ . 1 . 2]" 1
859 1 94 PHE HA 1 96 SER H 3.000 . 5.600 4.015 3.848 4.133 . 0 0 "[ . 1 . 2]" 1
860 1 94 PHE H 1 96 SER H 3.000 . 5.600 3.884 3.650 3.999 . 0 0 "[ . 1 . 2]" 1
861 1 94 PHE H 1 97 GLY H 3.000 . 5.600 5.520 5.278 5.663 0.063 18 0 "[ . 1 . 2]" 1
862 1 94 PHE QD 1 103 LEU MD1 3.000 . 7.000 3.954 2.318 4.709 . 0 0 "[ . 1 . 2]" 1
863 1 94 PHE HZ 1 103 LEU MD1 3.000 . 6.500 6.118 5.102 6.544 0.044 4 0 "[ . 1 . 2]" 1
864 1 94 PHE QD 1 103 LEU MD2 3.000 . 7.000 2.273 1.918 3.009 . 0 0 "[ . 1 . 2]" 1
865 1 94 PHE HZ 1 103 LEU MD2 3.000 . 6.500 4.186 2.920 5.104 . 0 0 "[ . 1 . 2]" 1
866 1 94 PHE QE 1 103 LEU QD 3.000 . 6.500 3.037 2.266 3.765 . 0 0 "[ . 1 . 2]" 1
867 1 94 PHE HZ 1 103 LEU HG 3.000 . 6.500 5.506 3.910 6.561 0.061 5 0 "[ . 1 . 2]" 1
868 1 94 PHE H 1 103 LEU QD 3.000 . 6.000 2.908 2.333 3.484 . 0 0 "[ . 1 . 2]" 1
869 1 94 PHE QE 1 104 GLN HA 3.000 . 7.000 3.704 2.618 5.148 . 0 0 "[ . 1 . 2]" 1
870 1 94 PHE HZ 1 104 GLN HA 3.000 . 6.000 3.719 2.482 5.022 . 0 0 "[ . 1 . 2]" 1
871 1 94 PHE QE 1 104 GLN HG3 3.000 . 7.000 4.422 2.411 5.268 . 0 0 "[ . 1 . 2]" 1
872 1 94 PHE HZ 1 104 GLN HG3 3.000 . 6.000 3.854 2.423 4.888 . 0 0 "[ . 1 . 2]" 1
873 1 94 PHE QE 1 104 GLN HG2 3.000 . 7.000 5.289 3.889 6.389 . 0 0 "[ . 1 . 2]" 1
874 1 94 PHE HZ 1 104 GLN HG2 3.000 . 6.000 4.853 3.622 5.996 . 0 0 "[ . 1 . 2]" 1
875 1 95 VAL H 1 95 VAL HA 3.000 . 5.600 2.861 2.847 2.872 . 0 0 "[ . 1 . 2]" 1
876 1 95 VAL H 1 95 VAL HB 3.000 . 4.600 2.591 2.482 2.722 . 0 0 "[ . 1 . 2]" 1
877 1 95 VAL H 1 95 VAL QG 3.000 . 5.000 2.150 1.915 2.329 . 0 0 "[ . 1 . 2]" 1
878 1 95 VAL HB 1 96 SER H 3.000 . 4.600 3.298 2.997 4.155 . 0 0 "[ . 1 . 2]" 1
879 1 95 VAL H 1 96 SER H 3.000 . 4.600 2.492 2.449 2.529 . 0 0 "[ . 1 . 2]" 1
880 1 95 VAL QG 1 96 SER H 3.000 . 6.000 3.248 2.132 3.559 . 0 0 "[ . 1 . 2]" 1
881 1 95 VAL HB 1 97 GLY H 3.000 . 5.600 5.352 5.112 5.651 0.051 8 0 "[ . 1 . 2]" 1
882 1 95 VAL QG 1 97 GLY H 3.000 . 6.000 4.416 3.966 4.647 . 0 0 "[ . 1 . 2]" 1
883 1 95 VAL H 1 97 GLY H 3.000 . 5.600 4.414 4.307 4.584 . 0 0 "[ . 1 . 2]" 1
884 1 96 SER H 1 96 SER HA 3.000 . 5.600 2.783 2.749 2.821 . 0 0 "[ . 1 . 2]" 1
885 1 96 SER H 1 96 SER HB3 3.000 . 5.600 3.046 2.185 3.584 . 0 0 "[ . 1 . 2]" 1
886 1 96 SER H 1 96 SER HB2 3.000 . 5.600 2.645 2.057 3.563 . 0 0 "[ . 1 . 2]" 1
887 1 96 SER H 1 97 GLY H 3.000 . 4.600 2.734 2.629 2.826 . 0 0 "[ . 1 . 2]" 1
888 1 96 SER HA 1 97 GLY H 3.000 . 5.600 3.514 3.471 3.545 . 0 0 "[ . 1 . 2]" 1
889 1 96 SER HB3 1 97 GLY H 3.000 . 5.600 3.435 2.755 4.187 . 0 0 "[ . 1 . 2]" 1
890 1 96 SER HB2 1 97 GLY H 3.000 . 5.600 3.401 2.643 4.232 . 0 0 "[ . 1 . 2]" 1
891 1 96 SER H 1 98 VAL H 3.000 . 5.600 4.440 4.275 4.552 . 0 0 "[ . 1 . 2]" 1
892 1 97 GLY H 1 97 GLY HA3 3.000 . 4.600 2.891 2.858 2.937 . 0 0 "[ . 1 . 2]" 1
893 1 97 GLY H 1 97 GLY HA2 3.000 . 4.600 2.330 2.308 2.392 . 0 0 "[ . 1 . 2]" 1
894 1 97 GLY H 1 98 VAL H 3.000 . 4.600 2.640 2.464 2.752 . 0 0 "[ . 1 . 2]" 1
895 1 97 GLY HA3 1 98 VAL H 3.000 . 5.600 3.247 3.150 3.355 . 0 0 "[ . 1 . 2]" 1
896 1 97 GLY HA2 1 98 VAL H 3.000 . 5.600 3.327 3.224 3.391 . 0 0 "[ . 1 . 2]" 1
897 1 97 GLY H 1 98 VAL HB 3.000 . 5.600 5.363 5.056 5.586 . 0 0 "[ . 1 . 2]" 1
898 1 97 GLY H 1 98 VAL HA 3.000 . 5.600 5.138 4.961 5.255 . 0 0 "[ . 1 . 2]" 1
899 1 97 GLY H 1 98 VAL QG 3.000 . 5.600 4.229 3.911 4.587 . 0 0 "[ . 1 . 2]" 1
900 1 98 VAL H 1 98 VAL HB 3.000 . 4.600 2.860 2.581 3.197 . 0 0 "[ . 1 . 2]" 1
901 1 98 VAL H 1 98 VAL MG1 3.000 . 5.000 3.020 1.941 3.891 . 0 0 "[ . 1 . 2]" 1
902 1 98 VAL H 1 98 VAL MG2 3.000 . 5.000 3.216 2.285 3.951 . 0 0 "[ . 1 . 2]" 1
903 1 98 VAL H 1 98 VAL HA 3.000 . 5.600 2.942 2.920 2.948 . 0 0 "[ . 1 . 2]" 1
904 1 98 VAL HA 1 99 GLY H 3.000 . 5.600 3.453 3.311 3.547 . 0 0 "[ . 1 . 2]" 1
905 1 98 VAL HB 1 99 GLY H 3.000 . 5.600 3.544 2.573 4.369 . 0 0 "[ . 1 . 2]" 1
906 1 98 VAL QG 1 99 GLY H 3.000 . 5.600 2.879 1.933 3.647 . 0 0 "[ . 1 . 2]" 1
907 1 98 VAL H 1 99 GLY H 3.000 . 5.600 1.973 1.791 2.279 0.009 12 0 "[ . 1 . 2]" 1
908 1 99 GLY QA 1 101 GLU H 3.000 . 6.000 3.831 3.601 4.115 . 0 0 "[ . 1 . 2]" 1
909 1 99 GLY QA 1 102 ALA H 3.000 . 6.000 3.419 3.170 3.633 . 0 0 "[ . 1 . 2]" 1
910 1 101 GLU H 1 101 GLU HA 3.000 . 4.600 2.758 2.727 2.789 . 0 0 "[ . 1 . 2]" 1
911 1 101 GLU H 1 101 GLU HB3 3.000 . 4.600 3.268 2.597 3.589 . 0 0 "[ . 1 . 2]" 1
912 1 101 GLU H 1 101 GLU HB2 3.000 . 4.600 2.412 2.052 3.600 . 0 0 "[ . 1 . 2]" 1
913 1 101 GLU H 1 101 GLU QG 3.000 . 5.000 2.927 1.884 3.646 . 0 0 "[ . 1 . 2]" 1
914 1 101 GLU H 1 102 ALA H 3.000 . 4.600 2.913 2.743 3.027 . 0 0 "[ . 1 . 2]" 1
915 1 101 GLU HB3 1 102 ALA H 3.000 . 4.600 3.054 2.512 3.904 . 0 0 "[ . 1 . 2]" 1
916 1 101 GLU HB2 1 102 ALA H 3.000 . 4.600 2.944 2.215 3.393 . 0 0 "[ . 1 . 2]" 1
917 1 101 GLU QG 1 102 ALA H 3.000 . 6.000 3.905 1.876 4.493 . 0 0 "[ . 1 . 2]" 1
918 1 101 GLU H 1 102 ALA MB 3.000 . 6.000 4.531 4.333 4.715 . 0 0 "[ . 1 . 2]" 1
919 1 101 GLU H 1 103 LEU H 3.000 . 5.600 4.243 4.113 4.352 . 0 0 "[ . 1 . 2]" 1
920 1 101 GLU HA 1 104 GLN H 3.700 . 5.000 3.884 3.517 4.273 . 0 0 "[ . 1 . 2]" 1
921 1 101 GLU QB 1 104 GLN H 3.000 . 6.500 5.108 4.779 5.372 . 0 0 "[ . 1 . 2]" 1
922 1 101 GLU QB 1 105 ASN H 3.000 . 6.000 5.216 4.571 5.877 . 0 0 "[ . 1 . 2]" 1
923 1 102 ALA H 1 102 ALA HA 3.000 . 4.600 2.836 2.787 2.882 . 0 0 "[ . 1 . 2]" 1
924 1 102 ALA H 1 102 ALA MB 3.000 . 5.000 2.137 2.032 2.267 . 0 0 "[ . 1 . 2]" 1
925 1 102 ALA H 1 103 LEU H 3.000 . 4.600 2.631 2.428 2.757 . 0 0 "[ . 1 . 2]" 1
926 1 102 ALA HA 1 103 LEU H 3.000 . 5.600 3.551 3.533 3.569 . 0 0 "[ . 1 . 2]" 1
927 1 102 ALA HA 1 104 GLN H 3.000 . 5.600 4.605 4.294 4.918 . 0 0 "[ . 1 . 2]" 1
928 1 102 ALA HA 1 105 ASN H 3.000 . 5.600 3.821 3.629 4.111 . 0 0 "[ . 1 . 2]" 1
929 1 102 ALA MB 1 105 ASN H 3.000 . 6.000 4.880 4.753 5.078 . 0 0 "[ . 1 . 2]" 1
930 1 103 LEU H 1 103 LEU MD1 3.000 . 6.000 3.867 3.013 4.253 . 0 0 "[ . 1 . 2]" 1
931 1 103 LEU H 1 103 LEU MD2 3.000 . 6.000 4.241 3.897 4.462 . 0 0 "[ . 1 . 2]" 1
932 1 103 LEU H 1 103 LEU HG 3.000 . 5.600 4.425 4.093 4.545 . 0 0 "[ . 1 . 2]" 1
933 1 103 LEU H 1 103 LEU HA 3.000 . 4.600 2.816 2.785 2.857 . 0 0 "[ . 1 . 2]" 1
934 1 103 LEU H 1 103 LEU HB3 3.000 . 4.600 2.692 2.368 3.286 . 0 0 "[ . 1 . 2]" 1
935 1 103 LEU H 1 103 LEU HB2 3.000 . 4.600 2.400 2.077 2.695 . 0 0 "[ . 1 . 2]" 1
936 1 103 LEU H 1 104 GLN H 3.000 . 4.600 2.706 2.480 2.873 . 0 0 "[ . 1 . 2]" 1
937 1 103 LEU MD1 1 104 GLN H 3.000 . 6.000 4.564 3.867 4.976 . 0 0 "[ . 1 . 2]" 1
938 1 103 LEU MD2 1 104 GLN H 3.000 . 6.000 4.086 2.940 4.699 . 0 0 "[ . 1 . 2]" 1
939 1 103 LEU HG 1 104 GLN H 3.000 . 5.600 4.059 3.067 4.952 . 0 0 "[ . 1 . 2]" 1
940 1 103 LEU HA 1 104 GLN H 3.000 . 5.600 3.544 3.490 3.577 . 0 0 "[ . 1 . 2]" 1
941 1 103 LEU HB3 1 104 GLN H 3.000 . 5.600 2.558 2.236 3.060 . 0 0 "[ . 1 . 2]" 1
942 1 103 LEU HB2 1 104 GLN H 3.000 . 5.600 3.662 3.024 4.005 . 0 0 "[ . 1 . 2]" 1
943 1 103 LEU H 1 104 GLN HA 3.000 . 5.600 5.283 5.117 5.421 . 0 0 "[ . 1 . 2]" 1
944 1 103 LEU H 1 104 GLN HB3 3.000 . 5.600 5.093 4.597 5.609 0.009 19 0 "[ . 1 . 2]" 1
945 1 103 LEU H 1 104 GLN HB2 3.000 . 5.600 4.833 4.575 5.240 . 0 0 "[ . 1 . 2]" 1
946 1 103 LEU H 1 105 ASN H 3.000 . 5.600 4.402 4.191 4.610 . 0 0 "[ . 1 . 2]" 1
947 1 103 LEU H 1 106 LYS H 3.000 . 5.600 4.920 4.696 5.213 . 0 0 "[ . 1 . 2]" 1
948 1 103 LEU HG 1 107 ILE H 3.000 . 5.600 4.180 3.235 5.087 . 0 0 "[ . 1 . 2]" 1
949 1 103 LEU HA 1 107 ILE H 3.000 . 5.600 3.939 3.594 4.592 . 0 0 "[ . 1 . 2]" 1
950 1 104 GLN H 1 104 GLN HA 3.000 . 5.600 2.760 2.725 2.819 . 0 0 "[ . 1 . 2]" 1
951 1 104 GLN H 1 104 GLN QG 3.000 . 6.000 3.913 3.543 4.055 . 0 0 "[ . 1 . 2]" 1
952 1 104 GLN H 1 104 GLN QB 3.000 . 5.000 2.189 2.065 2.254 . 0 0 "[ . 1 . 2]" 1
953 1 104 GLN H 1 105 ASN H 3.000 . 4.600 2.901 2.787 2.992 . 0 0 "[ . 1 . 2]" 1
954 1 104 GLN HB2 1 105 ASN H 3.000 . 5.600 3.604 3.231 3.853 . 0 0 "[ . 1 . 2]" 1
955 1 104 GLN QG 1 105 ASN H 3.000 . 6.000 3.818 3.436 4.239 . 0 0 "[ . 1 . 2]" 1
956 1 104 GLN H 1 105 ASN HA 3.000 . 5.600 5.445 5.343 5.514 . 0 0 "[ . 1 . 2]" 1
957 1 104 GLN HB3 1 105 ASN H 3.000 . 5.600 2.380 2.216 2.567 . 0 0 "[ . 1 . 2]" 1
958 1 104 GLN HA 1 105 ASN H 3.000 . 5.600 3.563 3.546 3.579 . 0 0 "[ . 1 . 2]" 1
959 1 104 GLN HA 1 106 LYS H 3.000 . 5.600 4.507 4.083 4.881 . 0 0 "[ . 1 . 2]" 1
960 1 104 GLN QB 1 106 LYS H 3.000 . 6.000 4.671 4.425 4.876 . 0 0 "[ . 1 . 2]" 1
961 1 104 GLN H 1 106 LYS H 3.000 . 5.600 4.287 3.879 4.554 . 0 0 "[ . 1 . 2]" 1
962 1 104 GLN H 1 107 ILE H 3.000 . 5.600 4.684 4.489 4.923 . 0 0 "[ . 1 . 2]" 1
963 1 104 GLN HA 1 107 ILE H 3.000 . 5.600 3.558 3.193 3.792 . 0 0 "[ . 1 . 2]" 1
964 1 104 GLN H 1 108 LEU H 3.000 . 6.300 5.993 5.588 6.318 0.018 15 0 "[ . 1 . 2]" 1
965 1 105 ASN H 1 105 ASN HD21 3.000 . 6.000 4.017 2.795 4.978 . 0 0 "[ . 1 . 2]" 1
966 1 105 ASN H 1 105 ASN HD22 3.000 . 6.000 5.098 3.831 5.864 . 0 0 "[ . 1 . 2]" 1
967 1 105 ASN H 1 105 ASN HA 3.000 . 4.600 2.779 2.752 2.802 . 0 0 "[ . 1 . 2]" 1
968 1 105 ASN H 1 105 ASN HB3 3.000 . 4.600 3.155 2.533 3.589 . 0 0 "[ . 1 . 2]" 1
969 1 105 ASN H 1 105 ASN HB2 3.000 . 4.600 2.217 2.047 2.588 . 0 0 "[ . 1 . 2]" 1
970 1 105 ASN QB 1 106 LYS H 3.000 . 5.000 2.582 2.255 2.815 . 0 0 "[ . 1 . 2]" 1
971 1 105 ASN HA 1 106 LYS H 3.000 . 5.600 3.547 3.506 3.576 . 0 0 "[ . 1 . 2]" 1
972 1 105 ASN HA 1 107 ILE H 3.000 . 5.600 4.620 4.359 4.858 . 0 0 "[ . 1 . 2]" 1
973 1 105 ASN QB 1 107 ILE H 3.000 . 6.000 4.746 4.600 4.881 . 0 0 "[ . 1 . 2]" 1
974 1 105 ASN H 1 107 ILE H 3.000 . 5.600 4.276 4.160 4.386 . 0 0 "[ . 1 . 2]" 1
975 1 105 ASN HA 1 108 LEU H 3.000 . 5.600 3.730 3.424 3.954 . 0 0 "[ . 1 . 2]" 1
976 1 105 ASN QB 1 108 LEU H 3.000 . 6.000 5.090 4.849 5.398 . 0 0 "[ . 1 . 2]" 1
977 1 105 ASN H 1 108 LEU QD 3.000 . 6.000 4.148 3.439 4.763 . 0 0 "[ . 1 . 2]" 1
978 1 105 ASN H 1 108 LEU H 3.000 . 5.600 4.811 4.632 5.120 . 0 0 "[ . 1 . 2]" 1
979 1 106 LYS H 1 106 LYS QD 3.000 . 6.200 3.859 2.439 4.647 . 0 0 "[ . 1 . 2]" 1
980 1 106 LYS H 1 106 LYS QG 3.000 . 6.000 3.400 2.352 4.057 . 0 0 "[ . 1 . 2]" 1
981 1 106 LYS H 1 106 LYS HA 3.000 . 4.600 2.827 2.753 2.882 . 0 0 "[ . 1 . 2]" 1
982 1 106 LYS H 1 106 LYS QB 3.000 . 5.000 2.173 2.047 2.478 . 0 0 "[ . 1 . 2]" 1
983 1 106 LYS H 1 107 ILE H 3.000 . 4.600 2.666 2.468 2.912 . 0 0 "[ . 1 . 2]" 1
984 1 106 LYS H 1 107 ILE MD 3.000 . 6.000 5.470 4.353 6.100 0.100 4 0 "[ . 1 . 2]" 1
985 1 106 LYS HA 1 107 ILE H 3.000 . 5.600 3.554 3.527 3.580 . 0 0 "[ . 1 . 2]" 1
986 1 106 LYS HA 1 108 LEU H 3.000 . 5.600 4.444 4.133 4.931 . 0 0 "[ . 1 . 2]" 1
987 1 106 LYS HA 1 109 THR H 3.000 . 5.600 3.578 3.397 3.764 . 0 0 "[ . 1 . 2]" 1
988 1 106 LYS HA 1 110 ILE H 3.000 . 5.600 4.296 3.996 4.530 . 0 0 "[ . 1 . 2]" 1
989 1 107 ILE H 1 107 ILE HA 3.000 . 5.600 2.812 2.786 2.830 . 0 0 "[ . 1 . 2]" 1
990 1 107 ILE H 1 107 ILE MG 3.000 . 6.000 2.829 2.042 3.774 . 0 0 "[ . 1 . 2]" 1
991 1 107 ILE H 1 107 ILE HB 3.000 . 4.600 2.817 2.318 3.650 . 0 0 "[ . 1 . 2]" 1
992 1 107 ILE H 1 107 ILE MD 3.000 . 5.000 3.564 2.655 4.184 . 0 0 "[ . 1 . 2]" 1
993 1 107 ILE H 1 107 ILE QG 3.000 . 5.000 2.876 1.904 4.121 . 0 0 "[ . 1 . 2]" 1
994 1 107 ILE H 1 108 LEU H 3.000 . 4.600 2.705 2.603 2.884 . 0 0 "[ . 1 . 2]" 1
995 1 107 ILE HA 1 108 LEU H 3.000 . 5.600 3.538 3.487 3.589 . 0 0 "[ . 1 . 2]" 1
996 1 107 ILE H 1 108 LEU QB 3.000 . 6.000 4.654 4.388 5.226 . 0 0 "[ . 1 . 2]" 1
997 1 107 ILE H 1 108 LEU HG 3.000 . 5.600 4.831 3.901 5.657 0.057 8 0 "[ . 1 . 2]" 1
998 1 107 ILE H 1 109 THR H 3.000 . 5.600 4.257 4.096 4.411 . 0 0 "[ . 1 . 2]" 1
999 1 107 ILE H 1 110 ILE H 3.000 . 5.600 4.934 4.830 5.016 . 0 0 "[ . 1 . 2]" 1
1000 1 107 ILE HA 1 110 ILE H 3.000 . 5.600 3.645 3.505 3.791 . 0 0 "[ . 1 . 2]" 1
1001 1 107 ILE HA 1 111 LEU H 3.000 . 5.600 4.139 3.652 4.403 . 0 0 "[ . 1 . 2]" 1
1002 1 107 ILE MD 1 111 LEU H 3.000 . 6.000 5.033 3.612 5.726 . 0 0 "[ . 1 . 2]" 1
1003 1 107 ILE MG 1 111 LEU H 3.000 . 6.000 4.729 3.719 5.897 . 0 0 "[ . 1 . 2]" 1
1004 1 108 LEU H 1 108 LEU QB 3.000 . 5.000 2.331 2.095 2.691 . 0 0 "[ . 1 . 2]" 1
1005 1 108 LEU H 1 108 LEU MD1 3.000 . 6.000 3.616 2.753 3.916 . 0 0 "[ . 1 . 2]" 1
1006 1 108 LEU H 1 108 LEU MD2 3.000 . 6.000 3.630 2.673 4.239 . 0 0 "[ . 1 . 2]" 1
1007 1 108 LEU H 1 108 LEU HA 3.000 . 4.600 2.825 2.764 2.872 . 0 0 "[ . 1 . 2]" 1
1008 1 108 LEU H 1 108 LEU HG 3.000 . 4.600 2.648 1.947 3.233 . 0 0 "[ . 1 . 2]" 1
1009 1 108 LEU H 1 109 THR H 3.000 . 4.600 2.665 2.493 2.862 . 0 0 "[ . 1 . 2]" 1
1010 1 108 LEU HG 1 109 THR H 3.000 . 5.600 4.006 1.930 4.850 . 0 0 "[ . 1 . 2]" 1
1011 1 108 LEU QD 1 109 THR H 3.000 . 6.000 3.613 2.109 4.144 . 0 0 "[ . 1 . 2]" 1
1012 1 108 LEU QB 1 109 THR H 3.000 . 6.000 2.744 2.428 3.463 . 0 0 "[ . 1 . 2]" 1
1013 1 108 LEU HA 1 109 THR H 3.000 . 5.600 3.546 3.524 3.566 . 0 0 "[ . 1 . 2]" 1
1014 1 108 LEU H 1 109 THR HA 3.000 . 5.600 5.259 5.121 5.420 . 0 0 "[ . 1 . 2]" 1
1015 1 108 LEU H 1 110 ILE H 3.000 . 5.600 4.164 3.997 4.366 . 0 0 "[ . 1 . 2]" 1
1016 1 108 LEU HA 1 111 LEU H 3.000 . 5.600 3.437 3.223 3.742 . 0 0 "[ . 1 . 2]" 1
1017 1 108 LEU H 1 111 LEU QD 3.000 . 6.000 4.172 3.220 4.784 . 0 0 "[ . 1 . 2]" 1
1018 1 108 LEU H 1 111 LEU HG 3.000 . 5.600 5.151 4.309 5.586 . 0 0 "[ . 1 . 2]" 1
1019 1 109 THR H 1 109 THR MG 3.000 . 6.000 3.388 2.494 3.764 . 0 0 "[ . 1 . 2]" 1
1020 1 109 THR H 1 109 THR HA 3.000 . 4.600 2.783 2.752 2.810 . 0 0 "[ . 1 . 2]" 1
1021 1 109 THR H 1 109 THR HB 3.000 . 4.600 2.945 2.450 3.582 . 0 0 "[ . 1 . 2]" 1
1022 1 109 THR H 1 110 ILE H 3.000 . 4.600 2.769 2.688 2.873 . 0 0 "[ . 1 . 2]" 1
1023 1 109 THR MG 1 110 ILE H 3.000 . 6.000 3.813 3.326 4.219 . 0 0 "[ . 1 . 2]" 1
1024 1 109 THR HA 1 110 ILE H 3.000 . 5.600 3.539 3.516 3.558 . 0 0 "[ . 1 . 2]" 1
1025 1 109 THR HB 1 110 ILE H 3.000 . 5.600 2.896 2.549 3.571 . 0 0 "[ . 1 . 2]" 1
1026 1 109 THR H 1 110 ILE HB 3.000 . 5.600 5.181 5.069 5.318 . 0 0 "[ . 1 . 2]" 1
1027 1 109 THR H 1 110 ILE MD 3.000 . 6.000 4.913 4.197 5.384 . 0 0 "[ . 1 . 2]" 1
1028 1 109 THR H 1 111 LEU H 3.000 . 5.600 4.273 3.994 4.476 . 0 0 "[ . 1 . 2]" 1
1029 1 109 THR HB 1 111 LEU H 3.000 . 5.600 5.246 4.816 5.614 0.014 2 0 "[ . 1 . 2]" 1
1030 1 109 THR HA 1 111 LEU H 3.000 . 5.600 4.661 4.500 4.823 . 0 0 "[ . 1 . 2]" 1
1031 1 109 THR HA 1 112 GLN H 3.000 . 5.600 3.732 3.447 4.066 . 0 0 "[ . 1 . 2]" 1
1032 1 109 THR H 1 112 GLN QB 3.000 . 6.000 5.353 4.626 5.808 . 0 0 "[ . 1 . 2]" 1
1033 1 109 THR H 1 112 GLN QG 3.000 . 6.000 4.273 3.655 5.110 . 0 0 "[ . 1 . 2]" 1
1034 1 109 THR HA 1 113 GLY H 3.000 . 5.600 4.466 3.530 5.228 . 0 0 "[ . 1 . 2]" 1
1035 1 110 ILE H 1 110 ILE MD 3.000 . 6.000 3.211 2.454 3.670 . 0 0 "[ . 1 . 2]" 1
1036 1 110 ILE H 1 110 ILE MG 3.000 . 6.000 3.782 3.767 3.819 . 0 0 "[ . 1 . 2]" 1
1037 1 110 ILE H 1 110 ILE HA 3.000 . 4.600 2.851 2.783 2.900 . 0 0 "[ . 1 . 2]" 1
1038 1 110 ILE H 1 110 ILE HB 3.000 . 4.600 2.646 2.534 2.765 . 0 0 "[ . 1 . 2]" 1
1039 1 110 ILE H 1 110 ILE QG 3.000 . 5.000 2.026 1.866 2.230 . 0 0 "[ . 1 . 2]" 1
1040 1 110 ILE HB 1 111 LEU H 3.000 . 4.600 2.570 2.384 2.804 . 0 0 "[ . 1 . 2]" 1
1041 1 110 ILE MG 1 111 LEU H 3.000 . 6.000 3.596 3.379 3.807 . 0 0 "[ . 1 . 2]" 1
1042 1 110 ILE H 1 111 LEU H 3.000 . 5.600 2.592 2.368 2.848 . 0 0 "[ . 1 . 2]" 1
1043 1 110 ILE QG 1 111 LEU H 3.000 . 6.000 3.879 3.708 4.022 . 0 0 "[ . 1 . 2]" 1
1044 1 110 ILE H 1 111 LEU HG 3.000 . 5.600 4.622 3.850 5.646 0.046 5 0 "[ . 1 . 2]" 1
1045 1 110 ILE HA 1 112 GLN H 3.000 . 5.600 4.188 3.761 4.570 . 0 0 "[ . 1 . 2]" 1
1046 1 110 ILE H 1 112 GLN H 3.000 . 5.600 3.980 3.740 4.177 . 0 0 "[ . 1 . 2]" 1
1047 1 110 ILE H 1 112 GLN QG 3.000 . 6.000 4.652 3.967 5.560 . 0 0 "[ . 1 . 2]" 1
1048 1 110 ILE H 1 113 GLY H 3.000 . 5.600 4.724 4.437 5.195 . 0 0 "[ . 1 . 2]" 1
1049 1 110 ILE QG 1 113 GLY H 3.000 . 6.000 5.468 5.193 5.854 . 0 0 "[ . 1 . 2]" 1
1050 1 111 LEU H 1 111 LEU HA 3.000 . 5.600 2.814 2.766 2.864 . 0 0 "[ . 1 . 2]" 1
1051 1 111 LEU H 1 111 LEU HB3 3.000 . 5.600 3.460 2.343 3.616 . 0 0 "[ . 1 . 2]" 1
1052 1 111 LEU H 1 111 LEU HB2 3.000 . 5.600 2.533 2.184 3.599 . 0 0 "[ . 1 . 2]" 1
1053 1 111 LEU H 1 111 LEU QD 3.000 . 5.000 3.082 2.102 3.453 . 0 0 "[ . 1 . 2]" 1
1054 1 111 LEU H 1 111 LEU HG 3.000 . 4.600 2.517 1.900 3.742 . 0 0 "[ . 1 . 2]" 1
1055 1 111 LEU H 1 112 GLN H 3.000 . 4.600 2.657 2.513 2.822 . 0 0 "[ . 1 . 2]" 1
1056 1 111 LEU QB 1 112 GLN H 3.000 . 6.000 2.853 2.538 3.691 . 0 0 "[ . 1 . 2]" 1
1057 1 111 LEU QD 1 112 GLN H 3.000 . 6.000 3.994 2.797 4.332 . 0 0 "[ . 1 . 2]" 1
1058 1 111 LEU HA 1 112 GLN H 3.000 . 5.600 3.496 3.358 3.559 . 0 0 "[ . 1 . 2]" 1
1059 1 111 LEU H 1 112 GLN QB 3.000 . 6.000 4.828 4.322 5.071 . 0 0 "[ . 1 . 2]" 1
1060 1 111 LEU H 1 112 GLN HG3 3.000 . 5.600 4.869 4.127 5.620 0.020 9 0 "[ . 1 . 2]" 1
1061 1 111 LEU H 1 112 GLN HG2 3.000 . 5.600 4.730 4.082 5.648 0.048 18 0 "[ . 1 . 2]" 1
1062 1 111 LEU H 1 113 GLY H 3.000 . 5.600 4.037 3.789 4.537 . 0 0 "[ . 1 . 2]" 1
1063 1 111 LEU HA 1 113 GLY H 3.000 . 5.600 4.154 3.676 4.840 . 0 0 "[ . 1 . 2]" 1
1064 1 111 LEU QD 1 113 GLY H 3.000 . 6.000 5.167 4.461 5.749 . 0 0 "[ . 1 . 2]" 1
1065 1 112 GLN H 1 112 GLN HE21 3.000 . 6.000 4.373 3.682 5.022 . 0 0 "[ . 1 . 2]" 1
1066 1 112 GLN H 1 112 GLN HE22 3.000 . 6.000 5.728 5.257 6.003 0.003 16 0 "[ . 1 . 2]" 1
1067 1 112 GLN H 1 112 GLN HA 3.000 . 4.600 2.888 2.824 2.935 . 0 0 "[ . 1 . 2]" 1
1068 1 112 GLN H 1 112 GLN QB 3.000 . 5.000 2.543 2.279 2.707 . 0 0 "[ . 1 . 2]" 1
1069 1 112 GLN H 1 112 GLN HG3 3.000 . 4.600 2.841 2.087 3.610 . 0 0 "[ . 1 . 2]" 1
1070 1 112 GLN H 1 112 GLN HG2 3.000 . 4.600 2.698 2.050 3.821 . 0 0 "[ . 1 . 2]" 1
1071 1 112 GLN H 1 113 GLY H 3.000 . 4.600 2.434 2.216 2.818 . 0 0 "[ . 1 . 2]" 1
1072 1 112 GLN HA 1 113 GLY H 3.000 . 4.600 3.416 2.980 3.570 . 0 0 "[ . 1 . 2]" 1
1073 1 112 GLN QB 1 113 GLY H 3.000 . 6.000 3.274 2.231 4.035 . 0 0 "[ . 1 . 2]" 1
1074 1 112 GLN HG3 1 113 GLY H 3.000 . 5.600 3.753 2.048 5.369 . 0 0 "[ . 1 . 2]" 1
1075 1 112 GLN HG2 1 113 GLY H 3.000 . 5.600 4.169 2.827 5.111 . 0 0 "[ . 1 . 2]" 1
1076 1 113 GLY H 1 113 GLY HA3 3.000 . 4.600 2.680 2.291 2.957 . 0 0 "[ . 1 . 2]" 1
1077 1 113 GLY H 1 113 GLY HA2 3.000 . 4.600 2.636 2.294 2.951 . 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 56
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 36.364
_Distance_constraint_stats_list.Viol_max 0.075
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0224
_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 22 ARG 0.144 0.036 4 0 "[ . 1 . 2]"
1 23 LYS 0.369 0.063 9 0 "[ . 1 . 2]"
1 24 ILE 0.285 0.052 13 0 "[ . 1 . 2]"
1 25 ILE 0.360 0.075 4 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.011 0.008 1 0 "[ . 1 . 2]"
1 37 MET 0.000 0.000 11 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.021 0.011 5 0 "[ . 1 . 2]"
1 41 GLU 0.181 0.034 12 0 "[ . 1 . 2]"
1 42 ILE 0.020 0.020 17 0 "[ . 1 . 2]"
1 43 LYS 0.035 0.018 12 0 "[ . 1 . 2]"
1 44 GLU 0.011 0.011 5 0 "[ . 1 . 2]"
1 45 LEU 0.180 0.034 12 0 "[ . 1 . 2]"
1 46 CYS 0.020 0.020 17 0 "[ . 1 . 2]"
1 47 GLN 0.035 0.018 12 0 "[ . 1 . 2]"
1 54 GLU 0.428 0.052 13 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.729 0.075 4 0 "[ . 1 . 2]"
1 73 ILE 0.022 0.022 11 0 "[ . 1 . 2]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.071 0.043 5 0 "[ . 1 . 2]"
1 87 PRO 0.022 0.022 11 0 "[ . 1 . 2]"
1 89 VAL 0.071 0.043 5 0 "[ . 1 . 2]"
1 100 ILE 0.042 0.020 19 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 0.042 0.020 19 0 "[ . 1 . 2]"
1 105 ASN 0.070 0.037 4 0 "[ . 1 . 2]"
1 106 LYS 0.166 0.044 8 0 "[ . 1 . 2]"
1 107 ILE 0.013 0.009 13 0 "[ . 1 . 2]"
1 108 LEU 0.021 0.021 9 0 "[ . 1 . 2]"
1 109 THR 0.070 0.037 4 0 "[ . 1 . 2]"
1 110 ILE 0.166 0.044 8 0 "[ . 1 . 2]"
1 111 LEU 0.013 0.009 13 0 "[ . 1 . 2]"
1 112 GLN 0.021 0.021 9 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 24 ILE H 1 54 GLU O 2.000 . 2.300 2.296 2.207 2.352 0.052 13 0 "[ . 1 . 2]" 2
2 1 24 ILE N 1 54 GLU O 3.000 2.500 3.300 3.072 2.951 3.193 . 0 0 "[ . 1 . 2]" 2
3 1 26 VAL H 1 56 ILE O 2.000 . 2.300 1.931 1.749 2.220 . 0 0 "[ . 1 . 2]" 2
4 1 26 VAL N 1 56 ILE O 3.000 2.500 3.300 2.737 2.598 3.024 . 0 0 "[ . 1 . 2]" 2
5 1 22 ARG O 1 54 GLU H 2.000 . 2.300 2.249 2.111 2.336 0.036 4 0 "[ . 1 . 2]" 2
6 1 22 ARG O 1 54 GLU N 3.000 2.500 3.300 3.163 3.010 3.313 0.013 4 0 "[ . 1 . 2]" 2
7 1 24 ILE O 1 56 ILE H 2.000 . 2.300 1.761 1.580 2.081 . 0 0 "[ . 1 . 2]" 2
8 1 24 ILE O 1 56 ILE N 3.000 2.500 3.300 2.730 2.554 3.018 . 0 0 "[ . 1 . 2]" 2
9 1 26 VAL O 1 58 CYS H 2.000 . 2.300 1.985 1.628 2.284 . 0 0 "[ . 1 . 2]" 2
10 1 26 VAL O 1 58 CYS N 3.000 2.500 3.300 2.926 2.592 3.229 . 0 0 "[ . 1 . 2]" 2
11 1 25 ILE H 1 72 LEU O 2.000 . 2.300 2.250 2.046 2.375 0.075 4 0 "[ . 1 . 2]" 2
12 1 25 ILE N 1 72 LEU O 3.000 2.500 3.300 3.018 2.875 3.145 . 0 0 "[ . 1 . 2]" 2
13 1 27 ALA H 1 74 CYS O 2.000 . 2.300 2.087 1.772 2.277 . 0 0 "[ . 1 . 2]" 2
14 1 27 ALA N 1 74 CYS O 3.000 2.500 3.300 3.038 2.745 3.250 . 0 0 "[ . 1 . 2]" 2
15 1 23 LYS O 1 72 LEU H 2.000 . 2.300 2.294 2.021 2.363 0.063 9 0 "[ . 1 . 2]" 2
16 1 23 LYS O 1 72 LEU N 3.000 2.500 3.300 3.238 2.927 3.304 0.004 10 0 "[ . 1 . 2]" 2
17 1 25 ILE O 1 74 CYS H 2.000 . 2.300 1.847 1.685 2.072 . 0 0 "[ . 1 . 2]" 2
18 1 25 ILE O 1 74 CYS N 3.000 2.500 3.300 2.708 2.530 2.960 . 0 0 "[ . 1 . 2]" 2
19 1 73 ILE H 1 87 PRO O 2.000 . 2.300 2.058 1.744 2.322 0.022 11 0 "[ . 1 . 2]" 2
20 1 73 ILE N 1 87 PRO O 3.000 2.500 3.300 2.977 2.647 3.272 . 0 0 "[ . 1 . 2]" 2
21 1 75 THR H 1 89 VAL O 2.000 . 2.300 2.212 1.962 2.343 0.043 5 0 "[ . 1 . 2]" 2
22 1 75 THR N 1 89 VAL O 3.000 2.500 3.300 3.008 2.695 3.176 . 0 0 "[ . 1 . 2]" 2
23 1 73 ILE O 1 89 VAL H 2.000 . 2.300 1.919 1.724 2.281 . 0 0 "[ . 1 . 2]" 2
24 1 73 ILE O 1 89 VAL N 3.000 2.500 3.300 2.712 2.524 3.003 . 0 0 "[ . 1 . 2]" 2
25 1 36 THR O 1 40 GLU H 2.000 . 2.300 1.891 1.630 2.308 0.008 1 0 "[ . 1 . 2]" 2
26 1 36 THR O 1 40 GLU N 3.000 2.500 3.300 2.829 2.590 3.226 . 0 0 "[ . 1 . 2]" 2
27 1 37 MET O 1 41 GLU H 2.000 . 2.300 2.000 1.670 2.300 0.000 11 0 "[ . 1 . 2]" 2
28 1 37 MET O 1 41 GLU N 3.000 2.500 3.300 2.861 2.595 3.086 . 0 0 "[ . 1 . 2]" 2
29 1 38 ALA O 1 42 ILE H 2.000 . 2.300 1.689 1.584 1.934 . 0 0 "[ . 1 . 2]" 2
30 1 38 ALA O 1 42 ILE N 3.000 2.500 3.300 2.660 2.555 2.897 . 0 0 "[ . 1 . 2]" 2
31 1 39 ALA O 1 43 LYS H 2.000 . 2.300 1.915 1.683 2.186 . 0 0 "[ . 1 . 2]" 2
32 1 39 ALA O 1 43 LYS N 3.000 2.500 3.300 2.800 2.611 3.054 . 0 0 "[ . 1 . 2]" 2
33 1 40 GLU O 1 44 GLU H 2.000 . 2.300 1.977 1.621 2.311 0.011 5 0 "[ . 1 . 2]" 2
34 1 40 GLU O 1 44 GLU N 3.000 2.500 3.300 2.938 2.595 3.286 . 0 0 "[ . 1 . 2]" 2
35 1 41 GLU O 1 45 LEU H 2.000 . 2.300 2.254 2.062 2.334 0.034 12 0 "[ . 1 . 2]" 2
36 1 41 GLU O 1 45 LEU N 3.000 2.500 3.300 3.137 3.001 3.226 . 0 0 "[ . 1 . 2]" 2
37 1 42 ILE O 1 46 CYS H 2.000 . 2.300 2.060 1.751 2.320 0.020 17 0 "[ . 1 . 2]" 2
38 1 42 ILE O 1 46 CYS N 3.000 2.500 3.300 3.010 2.730 3.255 . 0 0 "[ . 1 . 2]" 2
39 1 43 LYS O 1 47 GLN H 2.000 . 2.300 2.183 1.898 2.318 0.018 12 0 "[ . 1 . 2]" 2
40 1 43 LYS O 1 47 GLN N 3.000 2.500 3.300 3.109 2.861 3.260 . 0 0 "[ . 1 . 2]" 2
41 1 62 GLU O 1 66 TYR H 2.000 . 2.300 1.877 1.623 2.110 . 0 0 "[ . 1 . 2]" 2
42 1 62 GLU O 1 66 TYR N 3.000 2.500 3.300 2.832 2.595 3.039 . 0 0 "[ . 1 . 2]" 2
43 1 100 ILE O 1 104 GLN H 2.000 . 2.300 1.604 1.514 1.700 . 0 0 "[ . 1 . 2]" 2
44 1 100 ILE O 1 104 GLN N 3.000 2.500 3.300 2.533 2.480 2.637 0.020 19 0 "[ . 1 . 2]" 2
45 1 103 LEU O 1 107 ILE H 2.000 . 2.300 1.800 1.569 2.197 . 0 0 "[ . 1 . 2]" 2
46 1 103 LEU O 1 107 ILE N 3.000 2.500 3.300 2.747 2.530 3.111 . 0 0 "[ . 1 . 2]" 2
47 1 104 GLN O 1 108 LEU H 2.000 . 2.300 1.952 1.719 2.159 . 0 0 "[ . 1 . 2]" 2
48 1 104 GLN O 1 108 LEU N 3.000 2.500 3.300 2.878 2.654 3.113 . 0 0 "[ . 1 . 2]" 2
49 1 105 ASN O 1 109 THR H 2.000 . 2.300 2.145 1.681 2.337 0.037 4 0 "[ . 1 . 2]" 2
50 1 105 ASN O 1 109 THR N 3.000 2.500 3.300 3.079 2.658 3.252 . 0 0 "[ . 1 . 2]" 2
51 1 106 LYS O 1 110 ILE H 2.000 . 2.300 2.249 2.053 2.344 0.044 8 0 "[ . 1 . 2]" 2
52 1 106 LYS O 1 110 ILE N 3.000 2.500 3.300 3.165 2.982 3.253 . 0 0 "[ . 1 . 2]" 2
53 1 107 ILE O 1 111 LEU H 2.000 . 2.300 2.068 1.645 2.309 0.009 13 0 "[ . 1 . 2]" 2
54 1 107 ILE O 1 111 LEU N 3.000 2.500 3.300 3.000 2.588 3.248 . 0 0 "[ . 1 . 2]" 2
55 1 108 LEU O 1 112 GLN H 2.000 . 2.300 2.024 1.720 2.321 0.021 9 0 "[ . 1 . 2]" 2
56 1 108 LEU O 1 112 GLN N 3.000 2.500 3.300 2.887 2.607 3.127 . 0 0 "[ . 1 . 2]" 2
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