NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407312 |
1y5o   |
6225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y5o
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 1137
_Distance_constraint_stats_list.Viol_count 2084
_Distance_constraint_stats_list.Viol_total 1901.153
_Distance_constraint_stats_list.Viol_max 0.768
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0456
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.331 0.111 13 0 "[ . 1 . 2]"
1 2 SER 0.331 0.111 13 0 "[ . 1 . 2]"
1 3 HIS 0.598 0.084 11 0 "[ . 1 . 2]"
1 4 SER 0.938 0.084 11 0 "[ . 1 . 2]"
1 5 GLY 0.124 0.014 5 0 "[ . 1 . 2]"
1 6 ALA 0.345 0.038 20 0 "[ . 1 . 2]"
1 7 ALA 3.325 0.093 5 0 "[ . 1 . 2]"
1 8 ILE 0.032 0.009 9 0 "[ . 1 . 2]"
1 9 PHE 0.707 0.041 10 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 4.965 0.124 10 0 "[ . 1 . 2]"
1 13 SER 1.785 0.066 17 0 "[ . 1 . 2]"
1 14 GLY 0.139 0.010 14 0 "[ . 1 . 2]"
1 15 ILE 0.115 0.014 5 0 "[ . 1 . 2]"
1 16 ILE 4.277 0.093 5 0 "[ . 1 . 2]"
1 17 ALA 0.098 0.016 8 0 "[ . 1 . 2]"
1 18 ILE 0.272 0.022 6 0 "[ . 1 . 2]"
1 19 ASN 0.235 0.026 17 0 "[ . 1 . 2]"
1 20 GLU 0.451 0.027 18 0 "[ . 1 . 2]"
1 21 ASP 0.671 0.043 9 0 "[ . 1 . 2]"
1 22 VAL 6.423 0.156 13 0 "[ . 1 . 2]"
1 23 SER 1.621 0.108 20 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.769 0.069 4 0 "[ . 1 . 2]"
1 26 GLU 0.431 0.027 18 0 "[ . 1 . 2]"
1 27 LEU 0.190 0.041 20 0 "[ . 1 . 2]"
1 28 THR 4.465 0.164 1 0 "[ . 1 . 2]"
1 29 TRP 6.751 0.124 10 0 "[ . 1 . 2]"
1 30 ARG 2.178 0.070 19 0 "[ . 1 . 2]"
1 31 SER 2.023 0.096 18 0 "[ . 1 . 2]"
1 32 THR 3.207 0.113 18 0 "[ . 1 . 2]"
1 33 ASP 7.191 0.113 18 0 "[ . 1 . 2]"
1 34 GLY 2.186 0.088 14 0 "[ . 1 . 2]"
1 35 ASP 1.227 0.043 14 0 "[ . 1 . 2]"
1 36 LYS 0.809 0.033 16 0 "[ . 1 . 2]"
1 37 VAL 0.032 0.022 14 0 "[ . 1 . 2]"
1 38 HIS 1.802 0.070 19 0 "[ . 1 . 2]"
1 39 THR 0.506 0.028 14 0 "[ . 1 . 2]"
1 40 VAL 0.059 0.017 1 0 "[ . 1 . 2]"
1 41 VAL 0.122 0.018 2 0 "[ . 1 . 2]"
1 42 LEU 0.041 0.041 20 0 "[ . 1 . 2]"
1 43 SER 0.799 0.066 17 0 "[ . 1 . 2]"
1 44 THR 1.119 0.066 17 0 "[ . 1 . 2]"
1 45 ILE 0.807 0.053 17 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.732 0.035 1 0 "[ . 1 . 2]"
1 48 LEU 0.067 0.015 6 0 "[ . 1 . 2]"
1 49 GLN 0.022 0.022 9 0 "[ . 1 . 2]"
1 50 ALA 2.039 0.135 20 0 "[ . 1 . 2]"
1 51 THR 0.125 0.016 20 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 1.533 0.053 9 0 "[ . 1 . 2]"
1 56 GLU 0.577 0.028 17 0 "[ . 1 . 2]"
1 57 LYS 1.621 0.053 9 0 "[ . 1 . 2]"
1 58 MET 0.005 0.005 13 0 "[ . 1 . 2]"
1 59 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.730 0.135 20 0 "[ . 1 . 2]"
1 61 ARG 0.390 0.034 20 0 "[ . 1 . 2]"
1 62 LEU 0.813 0.053 17 0 "[ . 1 . 2]"
1 63 ILE 0.745 0.034 20 0 "[ . 1 . 2]"
1 64 GLY 0.114 0.014 12 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.208 0.098 17 0 "[ . 1 . 2]"
1 67 ASP 0.042 0.021 12 0 "[ . 1 . 2]"
1 68 GLU 0.567 0.106 12 0 "[ . 1 . 2]"
1 69 SER 1.293 0.106 12 0 "[ . 1 . 2]"
1 70 LYS 0.770 0.056 8 0 "[ . 1 . 2]"
1 71 LYS 0.268 0.145 16 0 "[ . 1 . 2]"
1 72 ARG 0.051 0.039 16 0 "[ . 1 . 2]"
1 73 LYS 0.276 0.145 16 0 "[ . 1 . 2]"
1 74 ASP 0.814 0.105 20 0 "[ . 1 . 2]"
1 75 ASN 1.216 0.107 15 0 "[ . 1 . 2]"
1 76 GLU 0.825 0.107 15 0 "[ . 1 . 2]"
1 77 GLY 0.384 0.067 6 0 "[ . 1 . 2]"
1 78 ASN 0.088 0.021 8 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 PRO 0.113 0.098 17 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 HIS 0.324 0.011 3 0 "[ . 1 . 2]"
1 88 MET 0.209 0.017 20 0 "[ . 1 . 2]"
1 89 PHE 0.032 0.009 9 0 "[ . 1 . 2]"
1 90 SER 0.052 0.012 20 0 "[ . 1 . 2]"
1 91 PHE 0.929 0.057 15 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 3.282 0.087 18 0 "[ . 1 . 2]"
1 94 ARG 0.346 0.053 3 0 "[ . 1 . 2]"
1 95 THR 4.426 0.113 20 0 "[ . 1 . 2]"
1 96 VAL 4.960 0.108 20 0 "[ . 1 . 2]"
1 97 MET 2.584 0.104 6 0 "[ . 1 . 2]"
1 98 ASP 3.008 0.076 5 0 "[ . 1 . 2]"
1 99 ASN 3.537 0.071 17 0 "[ . 1 . 2]"
1 100 ILE 1.500 0.071 17 0 "[ . 1 . 2]"
1 101 LYS 1.665 0.116 5 0 "[ . 1 . 2]"
1 102 MET 2.636 0.129 3 0 "[ . 1 . 2]"
1 103 THR 3.817 0.129 3 0 "[ . 1 . 2]"
1 104 LEU 0.255 0.031 3 0 "[ . 1 . 2]"
1 105 GLN 2.652 0.099 15 0 "[ . 1 . 2]"
1 106 GLN 3.752 0.099 15 0 "[ . 1 . 2]"
1 107 ILE 15.474 0.768 1 20 [+******************-]
1 108 ILE 17.801 0.768 1 20 [+******************-]
1 109 SER 4.195 0.092 2 0 "[ . 1 . 2]"
1 110 ARG 4.031 0.086 5 0 "[ . 1 . 2]"
1 111 TYR 3.018 0.086 5 0 "[ . 1 . 2]"
1 112 LYS 2.044 0.067 2 0 "[ . 1 . 2]"
1 113 ASP 0.376 0.025 12 0 "[ . 1 . 2]"
1 114 ALA 0.104 0.025 9 0 "[ . 1 . 2]"
1 115 ASP 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 1 PRO HA 1 2 SER H 3.400 . 3.400 2.634 2.156 3.511 0.111 13 0 "[ . 1 . 2]" 1
2 1 1 PRO QB 1 2 SER H 5.000 . 5.000 3.506 2.146 3.978 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER H 1 2 SER QB 3.400 . 3.400 2.712 2.406 3.013 . 0 0 "[ . 1 . 2]" 1
4 1 3 HIS HA 1 4 SER H 3.400 . 3.400 3.095 2.150 3.484 0.084 11 0 "[ . 1 . 2]" 1
5 1 3 HIS QB 1 4 SER H 5.000 . 5.000 3.103 2.462 3.767 . 0 0 "[ . 1 . 2]" 1
6 1 4 SER H 1 4 SER QB 3.808 . 3.808 3.086 2.927 3.403 . 0 0 "[ . 1 . 2]" 1
7 1 4 SER H 1 5 GLY H 5.000 . 5.000 4.208 3.816 4.521 . 0 0 "[ . 1 . 2]" 1
8 1 4 SER H 1 17 ALA HA 5.000 . 5.000 4.554 3.532 5.004 0.004 11 0 "[ . 1 . 2]" 1
9 1 4 SER H 1 100 ILE MD 5.500 . 5.500 3.395 2.724 3.999 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER HA 1 5 GLY H 2.800 . 2.800 2.170 2.127 2.488 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER QB 1 5 GLY H 3.808 . 3.808 3.135 2.351 3.395 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLY H 1 6 ALA H 5.000 . 5.000 4.320 4.073 4.383 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLY H 1 15 ILE HA 5.000 . 5.000 4.973 4.664 5.014 0.014 5 0 "[ . 1 . 2]" 1
14 1 5 GLY H 1 16 ILE HA 5.000 . 5.000 4.768 4.631 5.002 0.002 4 0 "[ . 1 . 2]" 1
15 1 5 GLY H 1 16 ILE HB 5.000 . 5.000 3.818 3.586 4.338 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLY H 1 17 ALA HA 5.000 . 5.000 3.515 3.353 3.713 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLY H 1 100 ILE MD 5.500 . 5.500 2.636 2.279 3.462 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLY QA 1 6 ALA H 2.800 . 2.800 2.208 2.166 2.269 . 0 0 "[ . 1 . 2]" 1
19 1 6 ALA H 1 6 ALA HA 2.800 . 2.800 2.817 2.806 2.838 0.038 20 0 "[ . 1 . 2]" 1
20 1 6 ALA H 1 96 VAL MG2 4.080 . 4.080 3.404 3.401 3.408 . 0 0 "[ . 1 . 2]" 1
21 1 6 ALA H 1 96 VAL MG1 3.360 . 3.360 2.170 2.016 2.328 . 0 0 "[ . 1 . 2]" 1
22 1 6 ALA H 1 100 ILE MD 6.000 . 6.000 4.999 4.997 5.002 . 0 0 "[ . 1 . 2]" 1
23 1 6 ALA HA 1 7 ALA H 2.800 . 2.800 2.174 2.158 2.191 . 0 0 "[ . 1 . 2]" 1
24 1 6 ALA H 1 7 ALA H 5.000 . 5.000 4.583 4.566 4.594 . 0 0 "[ . 1 . 2]" 1
25 1 6 ALA MB 1 7 ALA H 3.360 . 3.360 2.850 2.836 2.862 . 0 0 "[ . 1 . 2]" 1
26 1 7 ALA H 1 7 ALA HA 2.800 . 2.800 2.881 2.873 2.889 0.089 11 0 "[ . 1 . 2]" 1
27 1 7 ALA H 1 7 ALA MB 3.360 . 3.360 2.728 2.698 2.758 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA H 1 8 ILE H 5.000 . 5.000 4.332 4.319 4.348 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA H 1 14 GLY H 3.400 . 3.400 3.127 3.062 3.210 . 0 0 "[ . 1 . 2]" 1
30 1 7 ALA H 1 15 ILE HA 3.400 . 3.400 2.998 2.886 3.051 . 0 0 "[ . 1 . 2]" 1
31 1 7 ALA H 1 15 ILE QG 5.000 . 5.000 4.505 4.501 4.508 . 0 0 "[ . 1 . 2]" 1
32 1 7 ALA H 1 16 ILE HB 3.400 . 3.400 3.483 3.469 3.493 0.093 5 0 "[ . 1 . 2]" 1
33 1 7 ALA H 1 16 ILE H 3.400 . 3.400 3.232 3.167 3.280 . 0 0 "[ . 1 . 2]" 1
34 1 7 ALA H 1 29 TRP HD1 5.000 . 5.000 3.855 3.810 3.915 . 0 0 "[ . 1 . 2]" 1
35 1 7 ALA HA 1 8 ILE H 2.800 . 2.800 2.268 2.256 2.277 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE H 1 8 ILE HB 3.400 . 3.400 2.595 2.588 2.609 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE H 1 8 ILE MD 4.080 . 4.080 3.472 3.467 3.478 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE H 1 9 PHE H 5.000 . 5.000 4.531 4.529 4.535 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE H 1 89 PHE HA 5.000 . 5.000 4.951 4.740 5.009 0.009 9 0 "[ . 1 . 2]" 1
40 1 8 ILE H 1 90 SER QB 5.000 . 5.000 3.699 3.592 3.825 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE H 1 90 SER H 3.400 . 3.400 3.010 2.850 3.128 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE MD 1 9 PHE H 6.000 . 6.000 4.904 4.895 4.911 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE QG 1 9 PHE H 5.000 . 5.000 4.108 4.100 4.120 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE MG 1 9 PHE H 4.080 . 4.080 2.006 1.982 2.053 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE HA 1 9 PHE H 2.800 . 2.800 2.195 2.190 2.201 . 0 0 "[ . 1 . 2]" 1
46 1 9 PHE H 1 9 PHE QB 3.400 . 3.400 2.705 2.698 2.711 . 0 0 "[ . 1 . 2]" 1
47 1 9 PHE H 1 9 PHE QD 5.600 . 5.600 4.416 4.411 4.419 . 0 0 "[ . 1 . 2]" 1
48 1 9 PHE H 1 10 GLU H 5.000 . 5.000 3.864 3.857 3.876 . 0 0 "[ . 1 . 2]" 1
49 1 9 PHE H 1 12 VAL H 3.400 . 3.400 2.982 2.964 3.012 . 0 0 "[ . 1 . 2]" 1
50 1 9 PHE H 1 12 VAL HB 5.000 . 5.000 3.736 3.709 3.784 . 0 0 "[ . 1 . 2]" 1
51 1 9 PHE H 1 13 SER HA 3.400 . 3.400 3.435 3.428 3.441 0.041 10 0 "[ . 1 . 2]" 1
52 1 9 PHE H 1 29 TRP HZ2 3.400 . 3.400 2.314 2.281 2.340 . 0 0 "[ . 1 . 2]" 1
53 1 9 PHE H 1 89 PHE QD 5.600 . 5.600 4.394 4.311 4.566 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE MG 1 10 GLU H 6.000 . 6.000 3.486 3.462 3.500 . 0 0 "[ . 1 . 2]" 1
55 1 9 PHE HA 1 10 GLU H 2.800 . 2.800 2.141 2.137 2.142 . 0 0 "[ . 1 . 2]" 1
56 1 9 PHE QD 1 10 GLU H 3.808 . 3.808 3.397 3.394 3.400 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLU H 1 10 GLU HA 2.800 . 2.800 2.275 2.274 2.277 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLU H 1 10 GLU QB 3.808 . 3.808 3.448 3.444 3.452 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLU H 1 10 GLU QG 3.400 . 3.400 2.932 2.915 3.030 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLU H 1 11 LYS HA 5.000 . 5.000 4.759 4.747 4.776 . 0 0 "[ . 1 . 2]" 1
61 1 8 ILE MD 1 11 LYS H 6.000 . 6.000 5.055 5.051 5.058 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE MG 1 11 LYS H 3.360 . 3.360 2.819 2.817 2.823 . 0 0 "[ . 1 . 2]" 1
63 1 9 PHE HA 1 11 LYS H 5.000 . 5.000 4.188 4.175 4.207 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLU HA 1 11 LYS H 2.800 . 2.800 2.678 2.674 2.684 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLU H 1 11 LYS H 3.400 . 3.400 2.568 2.555 2.586 . 0 0 "[ . 1 . 2]" 1
66 1 11 LYS H 1 11 LYS HA 2.800 . 2.800 2.246 2.243 2.250 . 0 0 "[ . 1 . 2]" 1
67 1 11 LYS H 1 11 LYS QB 3.400 . 3.400 3.143 3.139 3.147 . 0 0 "[ . 1 . 2]" 1
68 1 11 LYS H 1 11 LYS QG 3.136 . 3.136 2.840 2.838 2.844 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE HA 1 12 VAL H 5.000 . 5.000 4.406 4.384 4.438 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE MD 1 12 VAL H 6.000 . 6.000 5.029 5.026 5.032 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE MG 1 12 VAL H 3.360 . 3.360 2.279 2.265 2.303 . 0 0 "[ . 1 . 2]" 1
72 1 9 PHE HA 1 12 VAL H 5.000 . 5.000 4.506 4.485 4.519 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU HA 1 12 VAL H 5.000 . 5.000 4.232 4.227 4.236 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU QB 1 12 VAL H 5.000 . 5.000 3.595 3.584 3.612 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU H 1 12 VAL H 5.000 . 5.000 3.829 3.820 3.840 . 0 0 "[ . 1 . 2]" 1
76 1 11 LYS HA 1 12 VAL H 3.400 . 3.400 3.146 3.121 3.167 . 0 0 "[ . 1 . 2]" 1
77 1 11 LYS QB 1 12 VAL H 5.000 . 5.000 3.606 3.595 3.622 . 0 0 "[ . 1 . 2]" 1
78 1 12 VAL H 1 12 VAL HA 2.800 . 2.800 2.917 2.914 2.919 0.119 12 0 "[ . 1 . 2]" 1
79 1 12 VAL H 1 12 VAL HB 2.800 . 2.800 2.677 2.649 2.712 . 0 0 "[ . 1 . 2]" 1
80 1 12 VAL H 1 29 TRP HH2 3.400 . 3.400 3.517 3.513 3.524 0.124 10 0 "[ . 1 . 2]" 1
81 1 12 VAL H 1 29 TRP HZ2 5.000 . 5.000 4.017 3.990 4.050 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE HA 1 13 SER H 6.000 . 6.000 4.529 4.490 4.590 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE MD 1 13 SER H 7.200 . 7.200 4.995 4.909 5.130 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE QG 1 13 SER H 6.720 . 6.720 3.998 3.906 4.144 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE MG 1 13 SER H 6.720 . 6.720 3.411 3.373 3.479 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL HA 1 13 SER H 2.800 . 2.800 2.228 2.221 2.239 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL QG 1 13 SER H 3.750 . 3.750 2.353 2.093 2.403 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL H 1 13 SER H 5.000 . 5.000 4.365 4.362 4.369 . 0 0 "[ . 1 . 2]" 1
89 1 13 SER H 1 13 SER QB 3.136 . 3.136 2.528 2.384 2.798 . 0 0 "[ . 1 . 2]" 1
90 1 13 SER H 1 14 GLY H 5.000 . 5.000 4.523 4.515 4.542 . 0 0 "[ . 1 . 2]" 1
91 1 13 SER H 1 29 TRP HZ2 5.000 . 5.000 3.972 3.893 4.003 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE HA 1 14 GLY H 3.400 . 3.400 3.055 2.995 3.129 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE MG 1 14 GLY H 6.000 . 6.000 4.539 4.504 4.575 . 0 0 "[ . 1 . 2]" 1
94 1 9 PHE H 1 14 GLY H 5.000 . 5.000 4.639 4.577 4.708 . 0 0 "[ . 1 . 2]" 1
95 1 13 SER HA 1 14 GLY H 2.800 . 2.800 2.186 2.169 2.224 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLY H 1 15 ILE HA 5.000 . 5.000 4.654 4.602 4.692 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLY H 1 29 TRP HE1 3.400 . 3.400 2.210 2.134 2.281 . 0 0 "[ . 1 . 2]" 1
98 1 14 GLY H 1 29 TRP HD1 5.000 . 5.000 4.439 4.361 4.514 . 0 0 "[ . 1 . 2]" 1
99 1 14 GLY H 1 29 TRP HZ2 3.400 . 3.400 3.407 3.404 3.410 0.010 14 0 "[ . 1 . 2]" 1
100 1 14 GLY H 1 32 THR H 5.000 . 5.000 4.695 4.460 4.770 . 0 0 "[ . 1 . 2]" 1
101 1 14 GLY QA 1 15 ILE H 3.400 . 3.400 2.302 2.288 2.311 . 0 0 "[ . 1 . 2]" 1
102 1 15 ILE H 1 15 ILE QG 5.000 . 5.000 2.870 2.674 3.600 . 0 0 "[ . 1 . 2]" 1
103 1 15 ILE H 1 29 TRP HA 5.000 . 5.000 4.869 4.813 4.971 . 0 0 "[ . 1 . 2]" 1
104 1 15 ILE H 1 29 TRP HE1 5.000 . 5.000 4.311 4.280 4.347 . 0 0 "[ . 1 . 2]" 1
105 1 15 ILE H 1 32 THR H 5.000 . 5.000 4.826 4.674 4.940 . 0 0 "[ . 1 . 2]" 1
106 1 4 SER HA 1 16 ILE H 5.000 . 5.000 5.021 5.004 5.032 0.032 6 0 "[ . 1 . 2]" 1
107 1 5 GLY H 1 16 ILE H 3.400 . 3.400 3.363 3.308 3.405 0.005 7 0 "[ . 1 . 2]" 1
108 1 15 ILE HA 1 16 ILE H 3.400 . 3.400 2.112 2.107 2.118 . 0 0 "[ . 1 . 2]" 1
109 1 16 ILE H 1 16 ILE HB 3.400 . 3.400 2.221 2.201 2.236 . 0 0 "[ . 1 . 2]" 1
110 1 16 ILE H 1 16 ILE QG 3.808 . 3.808 3.439 3.419 3.472 . 0 0 "[ . 1 . 2]" 1
111 1 16 ILE H 1 29 TRP HD1 5.000 . 5.000 3.720 3.682 3.790 . 0 0 "[ . 1 . 2]" 1
112 1 16 ILE HA 1 17 ALA H 2.800 . 2.800 2.144 2.138 2.153 . 0 0 "[ . 1 . 2]" 1
113 1 16 ILE HB 1 17 ALA H 5.000 . 5.000 4.533 4.510 4.565 . 0 0 "[ . 1 . 2]" 1
114 1 16 ILE QG 1 17 ALA H 5.600 . 5.600 3.480 3.382 3.568 . 0 0 "[ . 1 . 2]" 1
115 1 16 ILE MD 1 17 ALA H 6.000 . 6.000 4.815 4.731 4.887 . 0 0 "[ . 1 . 2]" 1
116 1 17 ALA H 1 27 LEU QD 6.000 . 6.000 3.013 2.650 3.329 . 0 0 "[ . 1 . 2]" 1
117 1 17 ALA H 1 28 THR HB 5.000 . 5.000 3.157 3.074 3.249 . 0 0 "[ . 1 . 2]" 1
118 1 17 ALA H 1 29 TRP HA 3.400 . 3.400 3.362 3.317 3.403 0.003 9 0 "[ . 1 . 2]" 1
119 1 17 ALA H 1 30 ARG H 5.000 . 5.000 4.358 4.260 4.454 . 0 0 "[ . 1 . 2]" 1
120 1 16 ILE H 1 17 ALA H 5.000 . 5.000 4.370 4.332 4.398 . 0 0 "[ . 1 . 2]" 1
121 1 17 ALA H 1 29 TRP HD1 5.000 . 5.000 4.883 4.842 4.915 . 0 0 "[ . 1 . 2]" 1
122 1 3 HIS HA 1 18 ILE H 5.000 . 5.000 4.498 3.953 5.002 0.002 5 0 "[ . 1 . 2]" 1
123 1 3 HIS QB 1 18 ILE H 5.000 . 5.000 3.382 2.930 4.441 . 0 0 "[ . 1 . 2]" 1
124 1 3 HIS HD2 1 18 ILE H 5.000 . 5.000 4.868 3.819 5.009 0.009 16 0 "[ . 1 . 2]" 1
125 1 4 SER HA 1 18 ILE H 3.400 . 3.400 3.202 2.947 3.401 0.001 20 0 "[ . 1 . 2]" 1
126 1 4 SER QB 1 18 ILE H 3.808 . 3.808 3.397 3.394 3.401 . 0 0 "[ . 1 . 2]" 1
127 1 17 ALA HA 1 18 ILE H 2.800 . 2.800 2.225 2.214 2.236 . 0 0 "[ . 1 . 2]" 1
128 1 17 ALA MB 1 18 ILE H 3.360 . 3.360 2.807 2.798 2.821 . 0 0 "[ . 1 . 2]" 1
129 1 17 ALA H 1 18 ILE H 5.000 . 5.000 4.471 4.424 4.502 . 0 0 "[ . 1 . 2]" 1
130 1 18 ILE H 1 18 ILE HB 2.800 . 2.800 2.291 2.258 2.324 . 0 0 "[ . 1 . 2]" 1
131 1 18 ILE H 1 18 ILE QG 3.808 . 3.808 3.397 3.375 3.406 . 0 0 "[ . 1 . 2]" 1
132 1 18 ILE H 1 18 ILE MG 4.080 . 4.080 3.443 3.431 3.454 . 0 0 "[ . 1 . 2]" 1
133 1 18 ILE H 1 19 ASN H 5.000 . 5.000 4.286 4.208 4.369 . 0 0 "[ . 1 . 2]" 1
134 1 18 ILE H 1 100 ILE MD 6.000 . 6.000 4.629 4.068 4.896 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE HA 1 19 ASN H 2.800 . 2.800 2.145 2.137 2.159 . 0 0 "[ . 1 . 2]" 1
136 1 18 ILE MG 1 19 ASN H 4.080 . 4.080 3.107 3.000 3.206 . 0 0 "[ . 1 . 2]" 1
137 1 19 ASN H 1 19 ASN QB 3.400 . 3.400 2.443 2.333 2.901 . 0 0 "[ . 1 . 2]" 1
138 1 19 ASN H 1 19 ASN QD 5.600 . 5.600 4.059 2.413 4.703 . 0 0 "[ . 1 . 2]" 1
139 1 19 ASN H 1 28 THR H 5.000 . 5.000 3.540 3.317 3.720 . 0 0 "[ . 1 . 2]" 1
140 1 19 ASN HA 1 20 GLU H 2.800 . 2.800 2.144 2.137 2.151 . 0 0 "[ . 1 . 2]" 1
141 1 19 ASN H 1 20 GLU H 5.000 . 5.000 4.244 4.208 4.300 . 0 0 "[ . 1 . 2]" 1
142 1 19 ASN QB 1 20 GLU H 5.000 . 5.000 3.658 3.488 3.910 . 0 0 "[ . 1 . 2]" 1
143 1 20 GLU H 1 20 GLU QB 3.400 . 3.400 2.727 2.422 3.048 . 0 0 "[ . 1 . 2]" 1
144 1 20 GLU H 1 20 GLU QG 5.000 . 5.000 2.287 1.936 2.743 . 0 0 "[ . 1 . 2]" 1
145 1 20 GLU H 1 21 ASP H 2.800 . 2.800 2.145 2.029 2.346 . 0 0 "[ . 1 . 2]" 1
146 1 20 GLU H 1 22 VAL H 5.000 . 5.000 4.197 4.133 4.324 . 0 0 "[ . 1 . 2]" 1
147 1 19 ASN HA 1 21 ASP H 5.000 . 5.000 3.332 3.278 3.403 . 0 0 "[ . 1 . 2]" 1
148 1 20 GLU HA 1 21 ASP H 5.000 . 5.000 3.346 3.280 3.408 . 0 0 "[ . 1 . 2]" 1
149 1 21 ASP H 1 21 ASP HA 2.800 . 2.800 2.788 2.760 2.816 0.016 4 0 "[ . 1 . 2]" 1
150 1 21 ASP H 1 21 ASP QB 3.400 . 3.400 2.338 2.238 2.431 . 0 0 "[ . 1 . 2]" 1
151 1 21 ASP H 1 22 VAL H 2.800 . 2.800 2.678 2.604 2.730 . 0 0 "[ . 1 . 2]" 1
152 1 21 ASP HA 1 22 VAL H 3.400 . 3.400 3.432 3.425 3.443 0.043 9 0 "[ . 1 . 2]" 1
153 1 22 VAL H 1 23 SER H 5.000 . 5.000 4.406 4.298 4.592 . 0 0 "[ . 1 . 2]" 1
154 1 22 VAL H 1 25 ALA HA 3.400 . 3.400 3.380 3.207 3.469 0.069 4 0 "[ . 1 . 2]" 1
155 1 19 ASN HA 1 22 VAL H 5.000 . 5.000 4.983 4.870 5.026 0.026 17 0 "[ . 1 . 2]" 1
156 1 20 GLU HA 1 22 VAL H 3.400 . 3.400 3.397 3.368 3.423 0.023 6 0 "[ . 1 . 2]" 1
157 1 21 ASP QB 1 22 VAL H 3.400 . 3.400 3.002 2.922 3.042 . 0 0 "[ . 1 . 2]" 1
158 1 22 VAL H 1 22 VAL HA 2.800 . 2.800 2.891 2.866 2.906 0.106 17 0 "[ . 1 . 2]" 1
159 1 22 VAL H 1 22 VAL HB 2.800 . 2.800 2.622 2.493 2.822 0.022 9 0 "[ . 1 . 2]" 1
160 1 22 VAL H 1 25 ALA MB 6.000 . 6.000 4.054 3.773 4.233 . 0 0 "[ . 1 . 2]" 1
161 1 22 VAL H 1 26 GLU H 5.000 . 5.000 4.566 4.163 4.810 . 0 0 "[ . 1 . 2]" 1
162 1 22 VAL HA 1 23 SER H 2.800 . 2.800 2.641 2.311 2.821 0.021 17 0 "[ . 1 . 2]" 1
163 1 22 VAL HB 1 23 SER H 3.400 . 3.400 3.470 3.404 3.508 0.108 20 0 "[ . 1 . 2]" 1
164 1 24 PRO HA 1 25 ALA H 3.400 . 3.400 2.246 2.223 2.272 . 0 0 "[ . 1 . 2]" 1
165 1 24 PRO QB 1 25 ALA H 3.400 . 3.400 2.926 2.865 3.004 . 0 0 "[ . 1 . 2]" 1
166 1 24 PRO QD 1 25 ALA H 5.600 . 5.600 4.966 4.883 5.002 . 0 0 "[ . 1 . 2]" 1
167 1 25 ALA H 1 111 TYR QD 7.000 . 7.000 5.873 5.606 6.175 . 0 0 "[ . 1 . 2]" 1
168 1 25 ALA H 1 111 TYR QE 7.000 . 7.000 4.020 3.527 4.365 . 0 0 "[ . 1 . 2]" 1
169 1 23 SER QB 1 25 ALA H 5.000 . 5.000 4.468 4.462 4.475 . 0 0 "[ . 1 . 2]" 1
170 1 25 ALA H 1 25 ALA HA 2.800 . 2.800 2.778 2.775 2.786 . 0 0 "[ . 1 . 2]" 1
171 1 25 ALA H 1 25 ALA MB 3.360 . 3.360 2.226 2.205 2.236 . 0 0 "[ . 1 . 2]" 1
172 1 19 ASN H 1 26 GLU H 5.000 . 5.000 3.485 3.213 3.785 . 0 0 "[ . 1 . 2]" 1
173 1 19 ASN QB 1 26 GLU H 5.000 . 5.000 3.206 2.825 4.033 . 0 0 "[ . 1 . 2]" 1
174 1 20 GLU HA 1 26 GLU H 3.400 . 3.400 3.415 3.401 3.427 0.027 18 0 "[ . 1 . 2]" 1
175 1 25 ALA HA 1 26 GLU H 2.800 . 2.800 2.492 2.346 2.517 . 0 0 "[ . 1 . 2]" 1
176 1 25 ALA MB 1 26 GLU H 3.360 . 3.360 2.251 2.187 2.537 . 0 0 "[ . 1 . 2]" 1
177 1 25 ALA H 1 26 GLU H 5.000 . 5.000 4.638 4.627 4.657 . 0 0 "[ . 1 . 2]" 1
178 1 26 GLU H 1 26 GLU QB 3.400 . 3.400 2.842 2.724 2.879 . 0 0 "[ . 1 . 2]" 1
179 1 26 GLU H 1 27 LEU H 5.000 . 5.000 4.362 4.304 4.419 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE HA 1 27 LEU H 5.000 . 5.000 4.950 4.793 5.022 0.022 6 0 "[ . 1 . 2]" 1
181 1 26 GLU QB 1 27 LEU H 3.400 . 3.400 2.589 2.430 2.773 . 0 0 "[ . 1 . 2]" 1
182 1 27 LEU H 1 27 LEU QB 3.808 . 3.808 2.389 2.289 2.480 . 0 0 "[ . 1 . 2]" 1
183 1 27 LEU H 1 39 THR HA 5.000 . 5.000 4.625 4.306 4.804 . 0 0 "[ . 1 . 2]" 1
184 1 27 LEU H 1 40 VAL H 5.000 . 5.000 2.789 2.605 2.974 . 0 0 "[ . 1 . 2]" 1
185 1 27 LEU H 1 41 VAL HA 5.000 . 5.000 3.781 3.678 3.891 . 0 0 "[ . 1 . 2]" 1
186 1 16 ILE HA 1 28 THR H 5.000 . 5.000 5.040 5.027 5.049 0.049 10 0 "[ . 1 . 2]" 1
187 1 18 ILE HA 1 28 THR H 3.400 . 3.400 3.333 3.121 3.410 0.010 8 0 "[ . 1 . 2]" 1
188 1 27 LEU HA 1 28 THR H 2.800 . 2.800 2.165 2.153 2.187 . 0 0 "[ . 1 . 2]" 1
189 1 27 LEU QD 1 28 THR H 4.080 . 4.080 2.889 2.367 3.039 . 0 0 "[ . 1 . 2]" 1
190 1 28 THR H 1 28 THR HB 2.800 . 2.800 2.943 2.936 2.964 0.164 1 0 "[ . 1 . 2]" 1
191 1 28 THR H 1 28 THR MG 4.080 . 4.080 3.535 3.533 3.544 . 0 0 "[ . 1 . 2]" 1
192 1 17 ALA H 1 28 THR H 3.400 . 3.400 3.402 3.375 3.416 0.016 8 0 "[ . 1 . 2]" 1
193 1 27 LEU H 1 28 THR H 5.000 . 5.000 4.260 4.090 4.362 . 0 0 "[ . 1 . 2]" 1
194 1 28 THR H 1 29 TRP H 5.000 . 5.000 4.544 4.523 4.552 . 0 0 "[ . 1 . 2]" 1
195 1 9 PHE QB 1 29 TRP HE1 5.000 . 5.000 4.013 3.944 4.049 . 0 0 "[ . 1 . 2]" 1
196 1 9 PHE H 1 29 TRP HE1 5.000 . 5.000 4.003 3.914 4.049 . 0 0 "[ . 1 . 2]" 1
197 1 13 SER HA 1 29 TRP HE1 3.400 . 3.400 3.455 3.448 3.466 0.066 17 0 "[ . 1 . 2]" 1
198 1 14 GLY QA 1 29 TRP HE1 3.400 . 3.400 2.590 2.491 2.646 . 0 0 "[ . 1 . 2]" 1
199 1 27 LEU QD 1 29 TRP H 6.700 . 6.700 4.210 3.747 4.978 . 0 0 "[ . 1 . 2]" 1
200 1 28 THR HA 1 29 TRP H 2.800 . 2.800 2.236 2.224 2.243 . 0 0 "[ . 1 . 2]" 1
201 1 28 THR HB 1 29 TRP H 3.400 . 3.400 3.405 3.390 3.409 0.009 10 0 "[ . 1 . 2]" 1
202 1 28 THR MG 1 29 TRP H 4.080 . 4.080 2.526 2.509 2.607 . 0 0 "[ . 1 . 2]" 1
203 1 29 TRP H 1 29 TRP QB 3.400 . 3.400 2.581 2.568 2.588 . 0 0 "[ . 1 . 2]" 1
204 1 29 TRP H 1 29 TRP HD1 5.000 . 5.000 5.095 5.091 5.100 0.100 10 0 "[ . 1 . 2]" 1
205 1 29 TRP H 1 29 TRP HE3 5.000 . 5.000 4.894 4.878 4.913 . 0 0 "[ . 1 . 2]" 1
206 1 29 TRP H 1 37 VAL HA 5.000 . 5.000 4.318 4.253 4.374 . 0 0 "[ . 1 . 2]" 1
207 1 29 TRP H 1 37 VAL QG 6.750 . 6.750 2.986 2.806 3.276 . 0 0 "[ . 1 . 2]" 1
208 1 29 TRP H 1 38 HIS HA 5.000 . 5.000 4.507 4.473 4.536 . 0 0 "[ . 1 . 2]" 1
209 1 29 TRP H 1 39 THR HA 3.400 . 3.400 3.372 3.317 3.412 0.012 17 0 "[ . 1 . 2]" 1
210 1 29 TRP H 1 30 ARG H 5.000 . 5.000 4.034 4.017 4.053 . 0 0 "[ . 1 . 2]" 1
211 1 29 TRP H 1 38 HIS H 5.000 . 5.000 2.937 2.888 3.005 . 0 0 "[ . 1 . 2]" 1
212 1 14 GLY QA 1 30 ARG H 5.000 . 5.000 4.112 4.032 4.142 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE H 1 30 ARG H 3.400 . 3.400 3.303 3.232 3.388 . 0 0 "[ . 1 . 2]" 1
214 1 16 ILE HA 1 30 ARG H 3.400 . 3.400 3.449 3.432 3.459 0.059 7 0 "[ . 1 . 2]" 1
215 1 29 TRP HA 1 30 ARG H 2.800 . 2.800 2.157 2.153 2.166 . 0 0 "[ . 1 . 2]" 1
216 1 29 TRP QB 1 30 ARG H 5.000 . 5.000 3.906 3.893 3.914 . 0 0 "[ . 1 . 2]" 1
217 1 29 TRP HD1 1 30 ARG H 5.000 . 5.000 3.295 3.234 3.337 . 0 0 "[ . 1 . 2]" 1
218 1 30 ARG H 1 30 ARG QB 3.808 . 3.808 2.402 2.347 2.454 . 0 0 "[ . 1 . 2]" 1
219 1 30 ARG H 1 31 SER H 5.000 . 5.000 4.438 4.414 4.459 . 0 0 "[ . 1 . 2]" 1
220 1 30 ARG HE 1 37 VAL QG 6.750 . 6.750 3.657 2.298 4.955 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLY QA 1 31 SER H 5.600 . 5.600 4.034 3.972 4.084 . 0 0 "[ . 1 . 2]" 1
222 1 30 ARG HA 1 31 SER H 2.800 . 2.800 2.184 2.176 2.189 . 0 0 "[ . 1 . 2]" 1
223 1 31 SER H 1 31 SER QB 3.400 . 3.400 2.379 2.189 2.749 . 0 0 "[ . 1 . 2]" 1
224 1 31 SER H 1 36 LYS QB 5.000 . 5.000 3.625 2.952 3.772 . 0 0 "[ . 1 . 2]" 1
225 1 31 SER H 1 37 VAL HA 3.400 . 3.400 3.311 3.196 3.342 . 0 0 "[ . 1 . 2]" 1
226 1 31 SER H 1 37 VAL QG 4.590 . 4.590 3.396 3.246 3.411 . 0 0 "[ . 1 . 2]" 1
227 1 31 SER H 1 32 THR H 5.000 . 5.000 4.621 4.619 4.624 . 0 0 "[ . 1 . 2]" 1
228 1 31 SER H 1 33 ASP H 5.000 . 5.000 5.085 5.072 5.096 0.096 18 0 "[ . 1 . 2]" 1
229 1 31 SER H 1 36 LYS H 3.400 . 3.400 3.416 3.410 3.424 0.024 10 0 "[ . 1 . 2]" 1
230 1 31 SER H 1 38 HIS H 5.000 . 5.000 4.615 4.496 4.656 . 0 0 "[ . 1 . 2]" 1
231 1 12 VAL QG 1 32 THR H 4.560 . 4.560 3.386 3.383 3.388 . 0 0 "[ . 1 . 2]" 1
232 1 14 GLY QA 1 32 THR H 3.808 . 3.808 2.687 2.529 2.757 . 0 0 "[ . 1 . 2]" 1
233 1 31 SER QB 1 32 THR H 3.808 . 3.808 2.889 2.443 3.381 . 0 0 "[ . 1 . 2]" 1
234 1 32 THR H 1 33 ASP H 3.400 . 3.400 2.563 2.544 2.615 . 0 0 "[ . 1 . 2]" 1
235 1 32 THR H 1 32 THR MG 4.080 . 4.080 3.533 3.528 3.539 . 0 0 "[ . 1 . 2]" 1
236 1 31 SER QB 1 33 ASP H 5.000 . 5.000 2.915 2.338 3.321 . 0 0 "[ . 1 . 2]" 1
237 1 32 THR HA 1 33 ASP H 3.400 . 3.400 3.458 3.452 3.463 0.063 14 0 "[ . 1 . 2]" 1
238 1 32 THR HB 1 33 ASP H 2.800 . 2.800 2.902 2.893 2.913 0.113 18 0 "[ . 1 . 2]" 1
239 1 32 THR MG 1 33 ASP H 4.080 . 4.080 3.016 2.964 3.068 . 0 0 "[ . 1 . 2]" 1
240 1 33 ASP H 1 33 ASP HA 2.800 . 2.800 2.841 2.825 2.858 0.058 14 0 "[ . 1 . 2]" 1
241 1 33 ASP H 1 33 ASP QB 3.808 . 3.808 2.357 2.258 2.403 . 0 0 "[ . 1 . 2]" 1
242 1 33 ASP H 1 34 GLY H 3.400 . 3.400 2.494 2.438 2.560 . 0 0 "[ . 1 . 2]" 1
243 1 33 ASP H 1 34 GLY QA 5.600 . 5.600 4.380 4.339 4.432 . 0 0 "[ . 1 . 2]" 1
244 1 32 THR HA 1 34 GLY H 5.000 . 5.000 4.211 4.121 4.454 . 0 0 "[ . 1 . 2]" 1
245 1 33 ASP HA 1 34 GLY H 3.400 . 3.400 3.473 3.469 3.488 0.088 14 0 "[ . 1 . 2]" 1
246 1 33 ASP QB 1 34 GLY H 5.000 . 5.000 2.736 2.630 2.759 . 0 0 "[ . 1 . 2]" 1
247 1 34 GLY H 1 34 GLY QA 2.800 . 2.800 2.239 2.233 2.308 . 0 0 "[ . 1 . 2]" 1
248 1 34 GLY H 1 35 ASP HA 5.000 . 5.000 5.037 5.033 5.043 0.043 14 0 "[ . 1 . 2]" 1
249 1 32 THR H 1 34 GLY H 5.000 . 5.000 4.074 4.034 4.152 . 0 0 "[ . 1 . 2]" 1
250 1 34 GLY QA 1 35 ASP H 3.136 . 3.136 2.823 2.819 2.830 . 0 0 "[ . 1 . 2]" 1
251 1 35 ASP H 1 35 ASP QB 2.800 . 2.800 2.451 2.253 2.492 . 0 0 "[ . 1 . 2]" 1
252 1 35 ASP H 1 37 VAL QG 6.750 . 6.750 4.711 4.635 4.982 . 0 0 "[ . 1 . 2]" 1
253 1 34 GLY H 1 35 ASP H 2.800 . 2.800 2.354 2.335 2.601 . 0 0 "[ . 1 . 2]" 1
254 1 31 SER QB 1 36 LYS H 5.600 . 5.600 2.877 2.174 3.471 . 0 0 "[ . 1 . 2]" 1
255 1 35 ASP HA 1 36 LYS H 3.400 . 3.400 3.425 3.413 3.433 0.033 16 0 "[ . 1 . 2]" 1
256 1 35 ASP QB 1 36 LYS H 3.808 . 3.808 3.038 2.991 3.107 . 0 0 "[ . 1 . 2]" 1
257 1 34 GLY H 1 36 LYS H 5.000 . 5.000 3.517 3.040 3.597 . 0 0 "[ . 1 . 2]" 1
258 1 35 ASP H 1 36 LYS H 2.800 . 2.800 1.998 1.928 2.603 . 0 0 "[ . 1 . 2]" 1
259 1 36 LYS H 1 37 VAL H 5.000 . 5.000 4.325 4.291 4.403 . 0 0 "[ . 1 . 2]" 1
260 1 36 LYS HA 1 37 VAL H 2.800 . 2.800 2.148 2.140 2.165 . 0 0 "[ . 1 . 2]" 1
261 1 36 LYS QB 1 37 VAL H 3.808 . 3.808 3.356 3.220 3.398 . 0 0 "[ . 1 . 2]" 1
262 1 36 LYS QG 1 37 VAL H 3.808 . 3.808 3.399 3.395 3.402 . 0 0 "[ . 1 . 2]" 1
263 1 37 VAL H 1 37 VAL HB 2.800 . 2.800 2.772 2.737 2.822 0.022 14 0 "[ . 1 . 2]" 1
264 1 37 VAL H 1 37 VAL QG 3.780 . 3.780 2.731 2.684 2.807 . 0 0 "[ . 1 . 2]" 1
265 1 37 VAL H 1 38 HIS H 5.000 . 5.000 4.239 4.070 4.278 . 0 0 "[ . 1 . 2]" 1
266 1 28 THR HA 1 38 HIS H 5.000 . 5.000 4.900 4.837 4.986 . 0 0 "[ . 1 . 2]" 1
267 1 29 TRP QB 1 38 HIS H 5.600 . 5.600 2.814 2.786 2.840 . 0 0 "[ . 1 . 2]" 1
268 1 29 TRP HE3 1 38 HIS H 3.400 . 3.400 3.421 3.406 3.427 0.027 2 0 "[ . 1 . 2]" 1
269 1 30 ARG HA 1 38 HIS H 3.400 . 3.400 3.460 3.451 3.470 0.070 19 0 "[ . 1 . 2]" 1
270 1 37 VAL HA 1 38 HIS H 2.800 . 2.800 2.136 2.130 2.140 . 0 0 "[ . 1 . 2]" 1
271 1 37 VAL HB 1 38 HIS H 5.000 . 5.000 4.191 4.138 4.289 . 0 0 "[ . 1 . 2]" 1
272 1 37 VAL QG 1 38 HIS H 4.590 . 4.590 2.668 2.460 2.780 . 0 0 "[ . 1 . 2]" 1
273 1 28 THR HA 1 39 THR H 5.000 . 5.000 4.753 4.702 4.798 . 0 0 "[ . 1 . 2]" 1
274 1 38 HIS HA 1 39 THR H 2.800 . 2.800 2.176 2.172 2.182 . 0 0 "[ . 1 . 2]" 1
275 1 38 HIS H 1 39 THR H 5.000 . 5.000 4.475 4.469 4.480 . 0 0 "[ . 1 . 2]" 1
276 1 38 HIS QB 1 39 THR H 3.808 . 3.808 3.521 3.508 3.527 . 0 0 "[ . 1 . 2]" 1
277 1 39 THR H 1 39 THR HB 2.800 . 2.800 2.726 2.705 2.741 . 0 0 "[ . 1 . 2]" 1
278 1 39 THR H 1 40 VAL H 5.000 . 5.000 4.409 4.378 4.445 . 0 0 "[ . 1 . 2]" 1
279 1 39 THR H 1 40 VAL QG 6.700 . 6.700 4.132 4.017 4.235 . 0 0 "[ . 1 . 2]" 1
280 1 27 LEU HA 1 40 VAL H 5.000 . 5.000 4.411 4.338 4.495 . 0 0 "[ . 1 . 2]" 1
281 1 27 LEU QD 1 40 VAL H 6.700 . 6.700 3.824 3.202 4.243 . 0 0 "[ . 1 . 2]" 1
282 1 28 THR HA 1 40 VAL H 3.400 . 3.400 3.291 3.164 3.417 0.017 1 0 "[ . 1 . 2]" 1
283 1 39 THR HA 1 40 VAL H 2.800 . 2.800 2.169 2.158 2.185 . 0 0 "[ . 1 . 2]" 1
284 1 39 THR HB 1 40 VAL H 5.000 . 5.000 4.016 3.941 4.079 . 0 0 "[ . 1 . 2]" 1
285 1 39 THR MG 1 40 VAL H 4.080 . 4.080 2.625 2.542 2.706 . 0 0 "[ . 1 . 2]" 1
286 1 40 VAL H 1 40 VAL HB 3.400 . 3.400 2.698 2.644 2.764 . 0 0 "[ . 1 . 2]" 1
287 1 40 VAL HA 1 41 VAL H 2.800 . 2.800 2.214 2.173 2.272 . 0 0 "[ . 1 . 2]" 1
288 1 40 VAL H 1 41 VAL H 5.000 . 5.000 4.469 4.438 4.485 . 0 0 "[ . 1 . 2]" 1
289 1 40 VAL HB 1 41 VAL H 5.000 . 5.000 3.887 3.724 4.025 . 0 0 "[ . 1 . 2]" 1
290 1 40 VAL QG 1 41 VAL H 4.080 . 4.080 2.168 1.964 2.496 . 0 0 "[ . 1 . 2]" 1
291 1 41 VAL H 1 41 VAL HB 2.800 . 2.800 2.626 2.588 2.718 . 0 0 "[ . 1 . 2]" 1
292 1 41 VAL H 1 41 VAL QG 4.080 . 4.080 2.240 2.148 2.403 . 0 0 "[ . 1 . 2]" 1
293 1 41 VAL H 1 42 LEU H 5.000 . 5.000 4.425 4.321 4.459 . 0 0 "[ . 1 . 2]" 1
294 1 41 VAL H 1 44 THR MG 6.000 . 6.000 3.392 3.145 3.492 . 0 0 "[ . 1 . 2]" 1
295 1 26 GLU HA 1 42 LEU H 3.400 . 3.400 2.535 2.309 2.767 . 0 0 "[ . 1 . 2]" 1
296 1 27 LEU H 1 42 LEU H 5.000 . 5.000 4.040 3.757 4.232 . 0 0 "[ . 1 . 2]" 1
297 1 41 VAL HB 1 42 LEU H 5.000 . 5.000 4.171 4.130 4.286 . 0 0 "[ . 1 . 2]" 1
298 1 41 VAL QG 1 42 LEU H 6.000 . 6.000 2.658 2.533 2.911 . 0 0 "[ . 1 . 2]" 1
299 1 42 LEU H 1 107 ILE MG 6.000 . 6.000 4.935 4.807 5.002 . 0 0 "[ . 1 . 2]" 1
300 1 24 PRO QB 1 43 SER H 3.808 . 3.808 3.212 2.963 3.396 . 0 0 "[ . 1 . 2]" 1
301 1 26 GLU HA 1 43 SER H 5.000 . 5.000 4.814 4.648 4.935 . 0 0 "[ . 1 . 2]" 1
302 1 41 VAL QG 1 43 SER H 4.080 . 4.080 1.994 1.918 2.060 . 0 0 "[ . 1 . 2]" 1
303 1 42 LEU QD 1 43 SER H 6.000 . 6.000 4.213 4.116 4.240 . 0 0 "[ . 1 . 2]" 1
304 1 42 LEU H 1 43 SER H 3.400 . 3.400 2.424 2.378 2.601 . 0 0 "[ . 1 . 2]" 1
305 1 43 SER H 1 43 SER QB 3.808 . 3.808 2.377 2.138 2.910 . 0 0 "[ . 1 . 2]" 1
306 1 43 SER H 1 44 THR HA 5.000 . 5.000 5.040 5.030 5.066 0.066 17 0 "[ . 1 . 2]" 1
307 1 43 SER H 1 44 THR MG 6.000 . 6.000 3.701 3.564 3.982 . 0 0 "[ . 1 . 2]" 1
308 1 43 SER H 1 44 THR H 2.800 . 2.800 2.382 2.366 2.412 . 0 0 "[ . 1 . 2]" 1
309 1 43 SER H 1 45 ILE H 5.000 . 5.000 3.937 3.805 4.206 . 0 0 "[ . 1 . 2]" 1
310 1 43 SER H 1 111 TYR HE1 5.600 . 5.600 4.774 4.343 5.425 . 0 0 "[ . 1 . 2]" 1
311 1 42 LEU H 1 44 THR H 5.000 . 5.000 4.193 4.136 4.342 . 0 0 "[ . 1 . 2]" 1
312 1 44 THR H 1 44 THR HB 3.400 . 3.400 2.690 2.584 2.779 . 0 0 "[ . 1 . 2]" 1
313 1 44 THR H 1 44 THR MG 3.360 . 3.360 2.048 1.956 2.323 . 0 0 "[ . 1 . 2]" 1
314 1 44 THR H 1 45 ILE HB 6.000 . 6.000 4.827 4.718 4.912 . 0 0 "[ . 1 . 2]" 1
315 1 44 THR H 1 45 ILE H 3.400 . 3.400 2.499 2.306 2.737 . 0 0 "[ . 1 . 2]" 1
316 1 44 THR HA 1 45 ILE H 3.400 . 3.400 3.271 2.992 3.442 0.042 3 0 "[ . 1 . 2]" 1
317 1 44 THR HB 1 45 ILE H 5.000 . 5.000 4.285 4.043 4.532 . 0 0 "[ . 1 . 2]" 1
318 1 44 THR MG 1 45 ILE H 4.080 . 4.080 2.832 2.119 3.403 . 0 0 "[ . 1 . 2]" 1
319 1 45 ILE H 1 45 ILE HB 2.800 . 2.800 2.637 2.607 2.666 . 0 0 "[ . 1 . 2]" 1
320 1 45 ILE H 1 45 ILE QG 3.400 . 3.400 2.141 1.944 2.425 . 0 0 "[ . 1 . 2]" 1
321 1 45 ILE H 1 45 ILE MD 4.080 . 4.080 3.017 2.776 3.314 . 0 0 "[ . 1 . 2]" 1
322 1 45 ILE H 1 46 ASP H 5.000 . 5.000 4.171 4.040 4.302 . 0 0 "[ . 1 . 2]" 1
323 1 45 ILE HA 1 46 ASP H 3.400 . 3.400 2.207 2.172 2.239 . 0 0 "[ . 1 . 2]" 1
324 1 45 ILE MD 1 46 ASP H 6.000 . 6.000 3.962 3.888 3.995 . 0 0 "[ . 1 . 2]" 1
325 1 45 ILE MG 1 46 ASP H 4.080 . 4.080 3.315 3.137 3.401 . 0 0 "[ . 1 . 2]" 1
326 1 46 ASP H 1 64 GLY QA 5.000 . 5.000 2.705 1.972 3.747 . 0 0 "[ . 1 . 2]" 1
327 1 46 ASP H 1 65 LYS H 5.000 . 5.000 3.055 2.002 4.127 . 0 0 "[ . 1 . 2]" 1
328 1 45 ILE HA 1 47 LYS H 3.400 . 3.400 3.420 3.407 3.435 0.035 1 0 "[ . 1 . 2]" 1
329 1 45 ILE MD 1 47 LYS H 6.000 . 6.000 4.483 4.403 4.529 . 0 0 "[ . 1 . 2]" 1
330 1 46 ASP H 1 47 LYS H 2.800 . 2.800 2.621 2.299 2.672 . 0 0 "[ . 1 . 2]" 1
331 1 46 ASP QB 1 47 LYS H 3.400 . 3.400 2.833 2.759 2.963 . 0 0 "[ . 1 . 2]" 1
332 1 47 LYS H 1 47 LYS QB 3.400 . 3.400 2.885 2.765 3.035 . 0 0 "[ . 1 . 2]" 1
333 1 47 LYS H 1 47 LYS QG 5.000 . 5.000 3.587 3.126 4.034 . 0 0 "[ . 1 . 2]" 1
334 1 47 LYS H 1 48 LEU HA 5.000 . 5.000 4.634 4.552 4.726 . 0 0 "[ . 1 . 2]" 1
335 1 47 LYS H 1 62 LEU HA 5.000 . 5.000 5.013 5.001 5.032 0.032 20 0 "[ . 1 . 2]" 1
336 1 47 LYS H 1 63 ILE H 3.400 . 3.400 3.352 3.226 3.417 0.017 12 0 "[ . 1 . 2]" 1
337 1 47 LYS H 1 63 ILE HB 3.400 . 3.400 2.805 2.241 3.274 . 0 0 "[ . 1 . 2]" 1
338 1 47 LYS HA 1 48 LEU H 2.800 . 2.800 2.415 2.272 2.484 . 0 0 "[ . 1 . 2]" 1
339 1 47 LYS H 1 48 LEU H 5.000 . 5.000 4.354 4.251 4.397 . 0 0 "[ . 1 . 2]" 1
340 1 47 LYS QB 1 48 LEU H 3.400 . 3.400 2.534 2.215 3.032 . 0 0 "[ . 1 . 2]" 1
341 1 47 LYS QG 1 48 LEU H 5.000 . 5.000 3.209 2.045 3.874 . 0 0 "[ . 1 . 2]" 1
342 1 48 LEU H 1 48 LEU QB 3.400 . 3.400 2.812 2.275 3.035 . 0 0 "[ . 1 . 2]" 1
343 1 48 LEU H 1 48 LEU QD 4.590 . 4.590 2.602 1.860 3.386 . 0 0 "[ . 1 . 2]" 1
344 1 48 LEU H 1 63 ILE H 5.000 . 5.000 4.936 4.700 5.010 0.010 12 0 "[ . 1 . 2]" 1
345 1 48 LEU HA 1 49 GLN H 2.800 . 2.800 2.162 2.140 2.200 . 0 0 "[ . 1 . 2]" 1
346 1 48 LEU QB 1 49 GLN H 3.808 . 3.808 3.212 2.961 3.398 . 0 0 "[ . 1 . 2]" 1
347 1 48 LEU H 1 49 GLN H 5.000 . 5.000 4.315 4.122 4.502 . 0 0 "[ . 1 . 2]" 1
348 1 49 GLN H 1 49 GLN QB 3.400 . 3.400 2.523 2.389 2.654 . 0 0 "[ . 1 . 2]" 1
349 1 49 GLN H 1 49 GLN QG 5.000 . 5.000 3.175 2.674 4.231 . 0 0 "[ . 1 . 2]" 1
350 1 49 GLN H 1 50 ALA H 5.000 . 5.000 4.457 4.084 4.546 . 0 0 "[ . 1 . 2]" 1
351 1 49 GLN H 1 61 ARG QB 5.000 . 5.000 3.783 3.076 4.450 . 0 0 "[ . 1 . 2]" 1
352 1 49 GLN H 1 62 LEU HA 3.400 . 3.400 2.933 2.779 3.390 . 0 0 "[ . 1 . 2]" 1
353 1 49 GLN H 1 62 LEU H 5.000 . 5.000 4.701 4.540 4.876 . 0 0 "[ . 1 . 2]" 1
354 1 49 GLN H 1 63 ILE MD 6.000 . 6.000 3.961 2.815 4.832 . 0 0 "[ . 1 . 2]" 1
355 1 49 GLN QE 1 63 ILE MD 6.000 . 6.000 3.106 1.778 4.453 0.022 9 0 "[ . 1 . 2]" 1
356 1 49 GLN HA 1 50 ALA H 3.400 . 3.400 2.265 2.145 2.395 . 0 0 "[ . 1 . 2]" 1
357 1 50 ALA HA 1 51 THR H 2.800 . 2.800 2.352 2.288 2.414 . 0 0 "[ . 1 . 2]" 1
358 1 50 ALA MB 1 51 THR H 4.080 . 4.080 2.550 2.348 2.705 . 0 0 "[ . 1 . 2]" 1
359 1 51 THR H 1 51 THR MG 3.360 . 3.360 2.576 2.177 2.799 . 0 0 "[ . 1 . 2]" 1
360 1 51 THR H 1 52 PRO QD 5.000 . 5.000 4.401 4.397 4.404 . 0 0 "[ . 1 . 2]" 1
361 1 51 THR H 1 58 MET HA 5.000 . 5.000 4.619 4.361 5.005 0.005 13 0 "[ . 1 . 2]" 1
362 1 51 THR H 1 60 LEU HA 3.400 . 3.400 3.402 3.324 3.416 0.016 20 0 "[ . 1 . 2]" 1
363 1 51 THR H 1 59 MET H 5.000 . 5.000 3.179 2.926 3.546 . 0 0 "[ . 1 . 2]" 1
364 1 51 THR H 1 60 LEU MD1 6.700 . 6.700 4.019 2.488 4.996 . 0 0 "[ . 1 . 2]" 1
365 1 51 THR H 1 61 ARG H 6.000 . 6.000 4.697 4.524 4.991 . 0 0 "[ . 1 . 2]" 1
366 1 52 PRO QB 1 54 SER H 3.808 . 3.808 2.186 2.131 2.233 . 0 0 "[ . 1 . 2]" 1
367 1 53 ALA MB 1 54 SER H 4.080 . 4.080 3.126 3.027 3.256 . 0 0 "[ . 1 . 2]" 1
368 1 54 SER H 1 54 SER QB 3.808 . 3.808 2.353 2.328 2.385 . 0 0 "[ . 1 . 2]" 1
369 1 51 THR HB 1 55 SER H 5.000 . 5.000 4.667 4.494 4.871 . 0 0 "[ . 1 . 2]" 1
370 1 52 PRO QB 1 55 SER H 5.000 . 5.000 3.477 3.303 3.789 . 0 0 "[ . 1 . 2]" 1
371 1 52 PRO QG 1 55 SER H 3.808 . 3.808 2.990 2.804 3.216 . 0 0 "[ . 1 . 2]" 1
372 1 52 PRO QD 1 55 SER H 5.600 . 5.600 4.275 4.055 4.466 . 0 0 "[ . 1 . 2]" 1
373 1 53 ALA MB 1 55 SER H 6.000 . 6.000 4.370 4.350 4.393 . 0 0 "[ . 1 . 2]" 1
374 1 54 SER HA 1 55 SER H 3.400 . 3.400 3.276 3.267 3.286 . 0 0 "[ . 1 . 2]" 1
375 1 54 SER QB 1 55 SER H 3.808 . 3.808 3.403 3.395 3.411 . 0 0 "[ . 1 . 2]" 1
376 1 55 SER H 1 55 SER QB 2.800 . 2.800 2.391 2.322 2.520 . 0 0 "[ . 1 . 2]" 1
377 1 55 SER H 1 56 GLU HA 5.000 . 5.000 5.012 5.004 5.028 0.028 17 0 "[ . 1 . 2]" 1
378 1 55 SER H 1 56 GLU H 5.000 . 5.000 4.273 4.258 4.292 . 0 0 "[ . 1 . 2]" 1
379 1 55 SER H 1 57 LYS H 5.000 . 5.000 5.024 5.012 5.031 0.031 13 0 "[ . 1 . 2]" 1
380 1 55 SER HA 1 56 GLU H 3.400 . 3.400 2.134 2.132 2.136 . 0 0 "[ . 1 . 2]" 1
381 1 55 SER QB 1 56 GLU H 5.000 . 5.000 3.559 3.445 3.776 . 0 0 "[ . 1 . 2]" 1
382 1 56 GLU H 1 56 GLU HG3 5.600 . 5.600 3.419 2.145 4.516 . 0 0 "[ . 1 . 2]" 1
383 1 51 THR HB 1 57 LYS H 6.000 2.800 6.000 5.162 4.732 5.667 . 0 0 "[ . 1 . 2]" 1
384 1 55 SER HA 1 57 LYS H 3.400 . 3.400 3.440 3.432 3.453 0.053 9 0 "[ . 1 . 2]" 1
385 1 55 SER QB 1 57 LYS H 3.400 . 3.400 2.767 2.572 3.035 . 0 0 "[ . 1 . 2]" 1
386 1 56 GLU HA 1 57 LYS H 3.400 . 3.400 3.417 3.415 3.419 0.019 9 0 "[ . 1 . 2]" 1
387 1 56 GLU QB 1 57 LYS H 3.400 . 3.400 3.036 3.032 3.042 . 0 0 "[ . 1 . 2]" 1
388 1 56 GLU QG 1 57 LYS H 5.000 . 5.000 4.180 4.075 4.392 . 0 0 "[ . 1 . 2]" 1
389 1 56 GLU H 1 57 LYS H 3.400 . 3.400 2.676 2.661 2.690 . 0 0 "[ . 1 . 2]" 1
390 1 57 LYS H 1 57 LYS QG 3.400 . 3.400 2.419 2.009 2.635 . 0 0 "[ . 1 . 2]" 1
391 1 57 LYS H 1 58 MET H 5.000 . 5.000 4.342 4.103 4.530 . 0 0 "[ . 1 . 2]" 1
392 1 57 LYS HA 1 58 MET H 3.400 . 3.400 2.161 2.139 2.240 . 0 0 "[ . 1 . 2]" 1
393 1 51 THR MG 1 59 MET H 3.360 . 3.360 2.128 1.922 2.642 . 0 0 "[ . 1 . 2]" 1
394 1 58 MET HA 1 59 MET H 2.800 . 2.800 2.146 2.137 2.167 . 0 0 "[ . 1 . 2]" 1
395 1 58 MET QB 1 59 MET H 5.000 . 5.000 3.424 3.239 3.718 . 0 0 "[ . 1 . 2]" 1
396 1 59 MET H 1 59 MET QB 3.808 . 3.808 2.816 2.728 2.875 . 0 0 "[ . 1 . 2]" 1
397 1 59 MET H 1 60 LEU H 5.000 . 5.000 4.278 4.164 4.382 . 0 0 "[ . 1 . 2]" 1
398 1 59 MET HA 1 60 LEU H 2.800 . 2.800 2.209 2.160 2.286 . 0 0 "[ . 1 . 2]" 1
399 1 59 MET QG 1 60 LEU H 5.000 . 5.000 3.976 2.652 4.231 . 0 0 "[ . 1 . 2]" 1
400 1 60 LEU H 1 60 LEU QB 3.808 . 3.808 2.424 2.327 2.471 . 0 0 "[ . 1 . 2]" 1
401 1 60 LEU H 1 61 ARG H 5.000 . 5.000 4.336 4.221 4.450 . 0 0 "[ . 1 . 2]" 1
402 1 60 LEU H 1 89 PHE H 5.000 . 5.000 3.458 3.147 3.893 . 0 0 "[ . 1 . 2]" 1
403 1 60 LEU H 1 90 SER H 5.000 . 5.000 4.587 4.377 4.838 . 0 0 "[ . 1 . 2]" 1
404 1 60 LEU H 1 90 SER HA 5.000 . 5.000 3.502 2.980 3.767 . 0 0 "[ . 1 . 2]" 1
405 1 60 LEU H 1 91 PHE QD 3.808 . 3.808 2.622 2.411 2.890 . 0 0 "[ . 1 . 2]" 1
406 1 60 LEU H 1 91 PHE QE 3.808 . 3.808 3.410 3.405 3.422 . 0 0 "[ . 1 . 2]" 1
407 1 49 GLN QB 1 61 ARG H 5.000 . 5.000 3.253 2.795 3.701 . 0 0 "[ . 1 . 2]" 1
408 1 50 ALA MB 1 61 ARG H 6.000 . 6.000 4.110 3.800 4.496 . 0 0 "[ . 1 . 2]" 1
409 1 50 ALA HA 1 61 ARG H 5.000 . 5.000 2.835 2.561 3.178 . 0 0 "[ . 1 . 2]" 1
410 1 60 LEU HA 1 61 ARG H 2.800 . 2.800 2.150 2.137 2.194 . 0 0 "[ . 1 . 2]" 1
411 1 60 LEU QD 1 61 ARG H 6.000 . 6.000 3.047 2.007 4.212 . 0 0 "[ . 1 . 2]" 1
412 1 61 ARG H 1 61 ARG QB 3.400 . 3.400 2.433 2.296 3.021 . 0 0 "[ . 1 . 2]" 1
413 1 61 ARG HA 1 62 LEU H 2.800 . 2.800 2.176 2.135 2.236 . 0 0 "[ . 1 . 2]" 1
414 1 61 ARG QG 1 62 LEU H 5.600 . 5.600 2.749 2.333 4.315 . 0 0 "[ . 1 . 2]" 1
415 1 62 LEU H 1 62 LEU QB 3.808 . 3.808 2.368 2.213 2.527 . 0 0 "[ . 1 . 2]" 1
416 1 62 LEU H 1 63 ILE H 5.000 . 5.000 4.354 4.191 4.470 . 0 0 "[ . 1 . 2]" 1
417 1 62 LEU H 1 86 ARG HA 5.000 . 5.000 4.781 4.460 4.996 . 0 0 "[ . 1 . 2]" 1
418 1 62 LEU H 1 87 HIS QB 5.600 . 5.600 3.390 3.152 3.784 . 0 0 "[ . 1 . 2]" 1
419 1 62 LEU H 1 88 MET HA 3.400 . 3.400 3.410 3.405 3.417 0.017 20 0 "[ . 1 . 2]" 1
420 1 62 LEU H 1 87 HIS HD2 6.000 . 6.000 5.940 5.714 6.007 0.007 20 0 "[ . 1 . 2]" 1
421 1 45 ILE MD 1 63 ILE H 6.000 . 6.000 3.964 3.719 4.387 . 0 0 "[ . 1 . 2]" 1
422 1 48 LEU HA 1 63 ILE H 3.400 . 3.400 3.249 2.984 3.415 0.015 6 0 "[ . 1 . 2]" 1
423 1 61 ARG HA 1 63 ILE H 6.000 . 6.000 6.013 5.898 6.034 0.034 20 0 "[ . 1 . 2]" 1
424 1 62 LEU HA 1 63 ILE H 2.800 . 2.800 2.143 2.131 2.155 . 0 0 "[ . 1 . 2]" 1
425 1 62 LEU HG 1 63 ILE H 3.400 . 3.400 3.405 3.321 3.432 0.032 5 0 "[ . 1 . 2]" 1
426 1 63 ILE H 1 63 ILE HB 2.800 . 2.800 2.662 2.559 2.751 . 0 0 "[ . 1 . 2]" 1
427 1 63 ILE H 1 63 ILE QG 3.400 . 3.400 2.475 2.054 3.053 . 0 0 "[ . 1 . 2]" 1
428 1 63 ILE H 1 63 ILE MD 4.080 . 4.080 2.678 1.898 3.377 . 0 0 "[ . 1 . 2]" 1
429 1 45 ILE HA 1 64 GLY H 5.000 . 5.000 4.605 4.282 5.014 0.014 12 0 "[ . 1 . 2]" 1
430 1 45 ILE MD 1 64 GLY H 6.000 . 6.000 4.403 4.111 4.780 . 0 0 "[ . 1 . 2]" 1
431 1 63 ILE HA 1 64 GLY H 2.800 . 2.800 2.168 2.145 2.247 . 0 0 "[ . 1 . 2]" 1
432 1 63 ILE HB 1 64 GLY H 5.000 . 5.000 4.035 3.854 4.198 . 0 0 "[ . 1 . 2]" 1
433 1 63 ILE MG 1 64 GLY H 4.080 . 4.080 2.399 1.967 2.647 . 0 0 "[ . 1 . 2]" 1
434 1 63 ILE MD 1 64 GLY H 6.000 . 6.000 4.201 3.655 5.013 . 0 0 "[ . 1 . 2]" 1
435 1 64 GLY H 1 65 LYS H 5.000 . 5.000 4.177 2.829 4.627 . 0 0 "[ . 1 . 2]" 1
436 1 64 GLY H 1 85 GLN H 5.000 . 5.000 3.973 3.133 4.447 . 0 0 "[ . 1 . 2]" 1
437 1 64 GLY H 1 86 ARG HA 5.000 . 5.000 2.673 2.336 3.166 . 0 0 "[ . 1 . 2]" 1
438 1 64 GLY H 1 87 HIS HD2 5.000 . 5.000 4.998 4.943 5.011 0.011 11 0 "[ . 1 . 2]" 1
439 1 45 ILE MD 1 65 LYS H 6.000 . 6.000 4.685 4.160 4.997 . 0 0 "[ . 1 . 2]" 1
440 1 46 ASP QB 1 65 LYS H 5.000 . 5.000 3.225 1.868 4.294 . 0 0 "[ . 1 . 2]" 1
441 1 64 GLY QA 1 65 LYS H 3.400 . 3.400 2.356 2.110 2.791 . 0 0 "[ . 1 . 2]" 1
442 1 65 LYS H 1 65 LYS QB 3.400 . 3.400 2.525 2.096 3.063 . 0 0 "[ . 1 . 2]" 1
443 1 65 LYS H 1 65 LYS QG 3.400 . 3.400 2.845 2.004 3.048 . 0 0 "[ . 1 . 2]" 1
444 1 65 LYS H 1 65 LYS QD 5.600 . 5.600 4.168 3.604 4.685 . 0 0 "[ . 1 . 2]" 1
445 1 65 LYS H 1 66 VAL H 5.000 . 5.000 4.557 4.413 4.638 . 0 0 "[ . 1 . 2]" 1
446 1 46 ASP QB 1 66 VAL H 5.000 . 5.000 4.133 3.442 4.460 . 0 0 "[ . 1 . 2]" 1
447 1 65 LYS HA 1 66 VAL H 2.800 . 2.800 2.521 2.271 2.650 . 0 0 "[ . 1 . 2]" 1
448 1 65 LYS QB 1 66 VAL H 3.400 . 3.400 2.254 1.986 2.897 . 0 0 "[ . 1 . 2]" 1
449 1 65 LYS QG 1 66 VAL H 3.400 . 3.400 3.034 2.968 3.050 . 0 0 "[ . 1 . 2]" 1
450 1 66 VAL H 1 66 VAL HB 2.800 . 2.800 2.738 2.612 2.821 0.021 12 0 "[ . 1 . 2]" 1
451 1 66 VAL H 1 66 VAL QG 4.080 . 4.080 2.402 1.961 2.784 . 0 0 "[ . 1 . 2]" 1
452 1 66 VAL QG 1 68 GLU H 6.700 . 6.700 3.767 1.927 4.973 . 0 0 "[ . 1 . 2]" 1
453 1 67 ASP HA 1 68 GLU H 2.800 . 2.800 2.431 2.137 2.821 0.021 12 0 "[ . 1 . 2]" 1
454 1 67 ASP QB 1 68 GLU H 5.000 . 5.000 3.527 2.217 3.917 . 0 0 "[ . 1 . 2]" 1
455 1 68 GLU H 1 68 GLU QB 3.136 . 3.136 2.700 2.478 2.863 . 0 0 "[ . 1 . 2]" 1
456 1 68 GLU H 1 68 GLU QG 3.808 . 3.808 2.732 2.092 3.412 . 0 0 "[ . 1 . 2]" 1
457 1 68 GLU H 1 69 SER HA 5.000 . 5.000 4.493 4.003 5.106 0.106 12 0 "[ . 1 . 2]" 1
458 1 67 ASP HA 1 69 SER H 5.000 . 5.000 3.796 3.304 4.705 . 0 0 "[ . 1 . 2]" 1
459 1 68 GLU HA 1 69 SER H 2.800 . 2.800 2.809 2.707 2.837 0.037 11 0 "[ . 1 . 2]" 1
460 1 68 GLU QB 1 69 SER H 5.000 . 5.000 3.905 3.812 4.045 . 0 0 "[ . 1 . 2]" 1
461 1 68 GLU H 1 69 SER H 2.800 . 2.800 2.687 2.361 2.813 0.013 11 0 "[ . 1 . 2]" 1
462 1 69 SER H 1 69 SER QB 3.136 . 3.136 2.450 2.217 2.657 . 0 0 "[ . 1 . 2]" 1
463 1 69 SER H 1 71 LYS H 5.000 . 5.000 4.125 3.089 4.846 . 0 0 "[ . 1 . 2]" 1
464 1 68 GLU HA 1 70 LYS H 5.000 . 5.000 3.353 3.029 3.792 . 0 0 "[ . 1 . 2]" 1
465 1 69 SER HA 1 70 LYS H 3.400 . 3.400 3.383 2.977 3.456 0.056 8 0 "[ . 1 . 2]" 1
466 1 69 SER QB 1 70 LYS H 5.600 . 5.600 3.180 2.865 3.748 . 0 0 "[ . 1 . 2]" 1
467 1 69 SER H 1 70 LYS H 3.400 . 3.400 2.409 1.968 2.749 . 0 0 "[ . 1 . 2]" 1
468 1 70 LYS H 1 70 LYS QB 3.400 . 3.400 2.450 2.372 2.778 . 0 0 "[ . 1 . 2]" 1
469 1 70 LYS H 1 70 LYS QG 3.400 . 3.400 2.401 2.052 3.030 . 0 0 "[ . 1 . 2]" 1
470 1 70 LYS H 1 70 LYS HD3 5.600 . 5.600 4.503 3.354 5.363 . 0 0 "[ . 1 . 2]" 1
471 1 70 LYS H 1 71 LYS H 3.400 . 3.400 2.487 1.976 2.714 . 0 0 "[ . 1 . 2]" 1
472 1 68 GLU HA 1 71 LYS H 5.000 . 5.000 3.727 3.048 5.002 0.002 15 0 "[ . 1 . 2]" 1
473 1 69 SER HA 1 71 LYS H 5.000 . 5.000 4.204 3.782 5.001 0.001 14 0 "[ . 1 . 2]" 1
474 1 70 LYS QB 1 71 LYS H 3.808 . 3.808 2.831 2.031 3.398 . 0 0 "[ . 1 . 2]" 1
475 1 71 LYS H 1 71 LYS HD3 3.808 . 3.808 3.378 2.000 3.813 0.005 6 0 "[ . 1 . 2]" 1
476 1 71 LYS HA 1 72 ARG H 2.800 . 2.800 2.295 2.141 2.777 . 0 0 "[ . 1 . 2]" 1
477 1 71 LYS H 1 72 ARG H 5.000 . 5.000 4.120 2.692 4.627 . 0 0 "[ . 1 . 2]" 1
478 1 72 ARG H 1 72 ARG QB 3.400 . 3.400 2.582 2.036 3.044 . 0 0 "[ . 1 . 2]" 1
479 1 72 ARG H 1 72 ARG HG3 3.808 . 3.808 3.020 2.236 3.815 0.007 16 0 "[ . 1 . 2]" 1
480 1 71 LYS HA 1 73 LYS H 6.000 . 6.000 6.011 5.989 6.145 0.145 16 0 "[ . 1 . 2]" 1
481 1 72 ARG HA 1 73 LYS H 2.800 . 2.800 2.192 2.140 2.839 0.039 16 0 "[ . 1 . 2]" 1
482 1 72 ARG QB 1 73 LYS H 3.808 . 3.808 3.119 1.971 3.401 . 0 0 "[ . 1 . 2]" 1
483 1 72 ARG QD 1 73 LYS H 6.720 . 6.720 5.208 3.168 5.669 . 0 0 "[ . 1 . 2]" 1
484 1 73 LYS H 1 74 ASP H 5.000 . 5.000 4.534 4.368 4.636 . 0 0 "[ . 1 . 2]" 1
485 1 73 LYS HA 1 74 ASP H 2.800 . 2.800 2.415 2.243 2.779 . 0 0 "[ . 1 . 2]" 1
486 1 73 LYS QB 1 74 ASP H 3.136 . 3.136 2.521 1.966 2.801 . 0 0 "[ . 1 . 2]" 1
487 1 73 LYS QG 1 74 ASP H 5.600 . 5.600 3.441 1.959 4.490 . 0 0 "[ . 1 . 2]" 1
488 1 74 ASP H 1 74 ASP QB 3.400 . 3.400 2.500 2.168 2.995 . 0 0 "[ . 1 . 2]" 1
489 1 74 ASP H 1 75 ASN HA 5.000 . 5.000 4.814 3.950 5.017 0.017 16 0 "[ . 1 . 2]" 1
490 1 74 ASP H 1 76 GLU H 5.000 . 5.000 4.352 2.695 5.025 0.025 15 0 "[ . 1 . 2]" 1
491 1 74 ASP HA 1 75 ASN H 3.400 . 3.400 3.104 2.287 3.505 0.105 20 0 "[ . 1 . 2]" 1
492 1 74 ASP QB 1 75 ASN H 3.400 . 3.400 2.691 1.976 3.033 . 0 0 "[ . 1 . 2]" 1
493 1 75 ASN H 1 75 ASN QB 3.808 . 3.808 2.789 2.313 3.424 . 0 0 "[ . 1 . 2]" 1
494 1 75 ASN H 1 76 GLU H 5.000 . 5.000 2.602 1.927 3.933 . 0 0 "[ . 1 . 2]" 1
495 1 74 ASP HA 1 76 GLU H 5.000 . 5.000 4.099 3.459 5.010 0.010 20 0 "[ . 1 . 2]" 1
496 1 74 ASP QB 1 76 GLU H 5.000 . 5.000 2.846 2.306 4.465 . 0 0 "[ . 1 . 2]" 1
497 1 75 ASN HA 1 76 GLU H 3.400 . 3.400 3.330 3.257 3.507 0.107 15 0 "[ . 1 . 2]" 1
498 1 75 ASN QB 1 76 GLU H 3.808 . 3.808 3.196 1.933 3.438 . 0 0 "[ . 1 . 2]" 1
499 1 76 GLU H 1 76 GLU QB 2.800 . 2.800 2.416 2.281 2.520 . 0 0 "[ . 1 . 2]" 1
500 1 76 GLU H 1 77 GLY QA 5.600 . 5.600 4.571 4.125 4.957 . 0 0 "[ . 1 . 2]" 1
501 1 76 GLU H 1 78 ASN H 3.400 . 3.400 3.213 2.857 3.410 0.010 2 0 "[ . 1 . 2]" 1
502 1 75 ASN HA 1 77 GLY H 5.000 . 5.000 3.762 3.389 4.513 . 0 0 "[ . 1 . 2]" 1
503 1 75 ASN QB 1 77 GLY H 5.600 . 5.600 4.582 4.094 4.820 . 0 0 "[ . 1 . 2]" 1
504 1 75 ASN H 1 77 GLY H 5.000 . 5.000 4.551 2.842 5.005 0.005 14 0 "[ . 1 . 2]" 1
505 1 76 GLU HA 1 77 GLY H 2.800 . 2.800 2.739 2.496 2.867 0.067 6 0 "[ . 1 . 2]" 1
506 1 76 GLU QB 1 77 GLY H 5.000 . 5.000 3.879 3.789 4.029 . 0 0 "[ . 1 . 2]" 1
507 1 77 GLY H 1 78 ASN H 2.800 . 2.800 2.634 2.267 2.821 0.021 8 0 "[ . 1 . 2]" 1
508 1 76 GLU QB 1 78 ASN H 5.600 . 5.600 3.885 3.140 4.535 . 0 0 "[ . 1 . 2]" 1
509 1 77 GLY QA 1 78 ASN H 3.400 . 3.400 2.832 2.742 2.920 . 0 0 "[ . 1 . 2]" 1
510 1 78 ASN H 1 78 ASN QB 3.400 . 3.400 2.544 2.151 3.036 . 0 0 "[ . 1 . 2]" 1
511 1 76 GLU QB 1 78 ASN QD 5.000 . 5.000 2.971 1.825 3.982 . 0 0 "[ . 1 . 2]" 1
512 1 78 ASN H 1 78 ASN QD 5.600 . 5.600 3.262 1.989 4.474 . 0 0 "[ . 1 . 2]" 1
513 1 83 LYS H 1 84 PRO QD 5.000 . 5.000 3.333 1.923 4.386 . 0 0 "[ . 1 . 2]" 1
514 1 64 GLY QA 1 85 GLN H 5.600 . 5.600 3.290 2.040 4.420 . 0 0 "[ . 1 . 2]" 1
515 1 84 PRO HA 1 85 GLN H 2.800 . 2.800 2.182 2.150 2.279 . 0 0 "[ . 1 . 2]" 1
516 1 85 GLN H 1 85 GLN QG 3.808 . 3.808 2.484 1.991 3.022 . 0 0 "[ . 1 . 2]" 1
517 1 85 GLN H 1 86 ARG H 5.000 . 5.000 4.480 4.378 4.555 . 0 0 "[ . 1 . 2]" 1
518 1 63 ILE HA 1 86 ARG H 6.000 . 6.000 5.062 4.564 5.629 . 0 0 "[ . 1 . 2]" 1
519 1 85 GLN HA 1 86 ARG H 2.800 . 2.800 2.175 2.141 2.278 . 0 0 "[ . 1 . 2]" 1
520 1 85 GLN QB 1 86 ARG H 3.808 . 3.808 3.122 2.706 3.384 . 0 0 "[ . 1 . 2]" 1
521 1 85 GLN QG 1 86 ARG H 5.000 . 5.000 4.139 3.927 4.464 . 0 0 "[ . 1 . 2]" 1
522 1 86 ARG H 1 86 ARG QB 3.400 . 3.400 2.633 2.424 3.036 . 0 0 "[ . 1 . 2]" 1
523 1 86 ARG H 1 86 ARG QG 5.000 . 5.000 2.783 1.972 3.365 . 0 0 "[ . 1 . 2]" 1
524 1 86 ARG H 1 86 ARG QD 5.600 . 5.600 3.885 1.987 4.594 . 0 0 "[ . 1 . 2]" 1
525 1 86 ARG H 1 87 HIS H 5.000 . 5.000 4.437 4.355 4.492 . 0 0 "[ . 1 . 2]" 1
526 1 61 ARG HA 1 87 HIS H 5.000 . 5.000 4.838 4.653 5.005 0.005 20 0 "[ . 1 . 2]" 1
527 1 62 LEU H 1 87 HIS H 3.400 . 3.400 3.028 2.826 3.201 . 0 0 "[ . 1 . 2]" 1
528 1 86 ARG HA 1 87 HIS H 2.800 . 2.800 2.200 2.171 2.267 . 0 0 "[ . 1 . 2]" 1
529 1 86 ARG QB 1 87 HIS H 3.400 . 3.400 2.940 2.725 3.032 . 0 0 "[ . 1 . 2]" 1
530 1 87 HIS H 1 87 HIS HD2 3.400 . 3.400 3.261 3.026 3.401 0.001 4 0 "[ . 1 . 2]" 1
531 1 9 PHE QE 1 88 MET H 3.808 . 3.808 3.384 3.188 3.398 . 0 0 "[ . 1 . 2]" 1
532 1 9 PHE QD 1 88 MET H 5.600 . 5.600 4.420 4.248 4.510 . 0 0 "[ . 1 . 2]" 1
533 1 61 ARG HA 1 88 MET H 6.000 . 6.000 4.778 4.455 5.090 . 0 0 "[ . 1 . 2]" 1
534 1 87 HIS HA 1 88 MET H 2.800 . 2.800 2.147 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
535 1 87 HIS QB 1 88 MET H 5.000 . 5.000 3.469 3.263 3.578 . 0 0 "[ . 1 . 2]" 1
536 1 87 HIS H 1 88 MET H 5.000 . 5.000 4.257 4.122 4.361 . 0 0 "[ . 1 . 2]" 1
537 1 88 MET H 1 88 MET QB 3.400 . 3.400 2.391 2.307 2.483 . 0 0 "[ . 1 . 2]" 1
538 1 88 MET H 1 89 PHE H 5.000 . 5.000 4.395 4.310 4.478 . 0 0 "[ . 1 . 2]" 1
539 1 59 MET HA 1 89 PHE H 6.000 . 6.000 5.075 4.552 5.690 . 0 0 "[ . 1 . 2]" 1
540 1 61 ARG HA 1 89 PHE H 3.400 . 3.400 2.853 2.549 3.194 . 0 0 "[ . 1 . 2]" 1
541 1 62 LEU H 1 89 PHE H 5.000 . 5.000 4.378 4.052 4.595 . 0 0 "[ . 1 . 2]" 1
542 1 88 MET HA 1 89 PHE H 2.800 . 2.800 2.143 2.138 2.154 . 0 0 "[ . 1 . 2]" 1
543 1 88 MET QG 1 89 PHE H 5.000 . 5.000 3.451 2.713 4.253 . 0 0 "[ . 1 . 2]" 1
544 1 88 MET QB 1 89 PHE H 5.600 . 5.600 3.622 3.225 3.885 . 0 0 "[ . 1 . 2]" 1
545 1 89 PHE H 1 89 PHE QB 3.808 . 3.808 2.424 2.351 2.489 . 0 0 "[ . 1 . 2]" 1
546 1 89 PHE H 1 89 PHE QD 3.808 . 3.808 3.014 2.924 3.108 . 0 0 "[ . 1 . 2]" 1
547 1 89 PHE H 1 89 PHE QE 5.600 . 5.600 4.998 4.992 5.005 . 0 0 "[ . 1 . 2]" 1
548 1 89 PHE H 1 90 SER H 5.000 . 5.000 4.515 4.490 4.535 . 0 0 "[ . 1 . 2]" 1
549 1 7 ALA HA 1 90 SER H 5.000 . 5.000 4.980 4.812 5.012 0.012 20 0 "[ . 1 . 2]" 1
550 1 8 ILE HB 1 90 SER H 3.400 . 3.400 2.601 2.505 2.870 . 0 0 "[ . 1 . 2]" 1
551 1 8 ILE MD 1 90 SER H 6.000 . 6.000 4.186 4.075 4.380 . 0 0 "[ . 1 . 2]" 1
552 1 8 ILE MG 1 90 SER H 6.000 . 6.000 3.788 3.714 4.006 . 0 0 "[ . 1 . 2]" 1
553 1 9 PHE HA 1 90 SER H 5.000 . 5.000 3.743 3.635 3.915 . 0 0 "[ . 1 . 2]" 1
554 1 89 PHE HA 1 90 SER H 2.800 . 2.800 2.309 2.212 2.382 . 0 0 "[ . 1 . 2]" 1
555 1 89 PHE QB 1 90 SER H 3.808 . 3.808 2.600 2.397 2.884 . 0 0 "[ . 1 . 2]" 1
556 1 89 PHE QD 1 90 SER H 3.808 . 3.808 3.413 3.407 3.420 . 0 0 "[ . 1 . 2]" 1
557 1 90 SER H 1 90 SER QB 3.400 . 3.400 2.673 2.417 3.042 . 0 0 "[ . 1 . 2]" 1
558 1 58 MET QB 1 91 PHE H 5.600 . 5.600 3.567 2.914 4.550 . 0 0 "[ . 1 . 2]" 1
559 1 90 SER HA 1 91 PHE H 2.800 . 2.800 2.153 2.144 2.192 . 0 0 "[ . 1 . 2]" 1
560 1 90 SER QB 1 91 PHE H 5.000 . 5.000 3.503 3.317 3.766 . 0 0 "[ . 1 . 2]" 1
561 1 91 PHE H 1 91 PHE QB 3.400 . 3.400 2.273 2.247 2.352 . 0 0 "[ . 1 . 2]" 1
562 1 91 PHE H 1 91 PHE QD 3.136 . 3.136 2.793 2.745 2.804 . 0 0 "[ . 1 . 2]" 1
563 1 91 PHE H 1 91 PHE QE 5.600 . 5.600 5.001 4.989 5.008 . 0 0 "[ . 1 . 2]" 1
564 1 91 PHE H 1 92 ASN H 5.000 . 5.000 4.508 4.479 4.535 . 0 0 "[ . 1 . 2]" 1
565 1 91 PHE HA 1 92 ASN H 3.400 . 3.400 2.185 2.142 2.263 . 0 0 "[ . 1 . 2]" 1
566 1 91 PHE QB 1 92 ASN H 5.600 . 5.600 2.947 2.629 3.133 . 0 0 "[ . 1 . 2]" 1
567 1 91 PHE QD 1 92 ASN H 5.600 . 5.600 3.566 3.385 3.687 . 0 0 "[ . 1 . 2]" 1
568 1 8 ILE MD 1 92 ASN QD 6.000 . 6.000 2.509 1.825 4.331 . 0 0 "[ . 1 . 2]" 1
569 1 91 PHE QD 1 93 ASN H 3.808 . 3.808 3.439 3.430 3.452 . 0 0 "[ . 1 . 2]" 1
570 1 91 PHE QB 1 93 ASN H 3.400 . 3.400 2.221 2.123 2.288 . 0 0 "[ . 1 . 2]" 1
571 1 91 PHE H 1 93 ASN H 5.000 . 5.000 5.046 5.036 5.057 0.057 15 0 "[ . 1 . 2]" 1
572 1 92 ASN HA 1 93 ASN H 3.400 . 3.400 3.176 3.143 3.210 . 0 0 "[ . 1 . 2]" 1
573 1 92 ASN H 1 93 ASN H 3.400 . 3.400 2.403 2.234 2.472 . 0 0 "[ . 1 . 2]" 1
574 1 93 ASN H 1 93 ASN HA 2.800 . 2.800 2.877 2.860 2.887 0.087 18 0 "[ . 1 . 2]" 1
575 1 93 ASN H 1 96 VAL HB 5.000 . 5.000 3.607 3.386 3.860 . 0 0 "[ . 1 . 2]" 1
576 1 93 ASN H 1 96 VAL QG 6.700 . 6.700 3.980 3.800 4.183 . 0 0 "[ . 1 . 2]" 1
577 1 93 ASN HA 1 94 ARG H 2.800 . 2.800 2.143 2.131 2.162 . 0 0 "[ . 1 . 2]" 1
578 1 93 ASN H 1 94 ARG H 5.000 . 5.000 4.113 3.983 4.178 . 0 0 "[ . 1 . 2]" 1
579 1 93 ASN QB 1 94 ARG H 5.600 . 5.600 3.582 3.178 3.844 . 0 0 "[ . 1 . 2]" 1
580 1 94 ARG H 1 94 ARG QB 3.808 . 3.808 2.320 2.197 2.483 . 0 0 "[ . 1 . 2]" 1
581 1 94 ARG H 1 95 THR H 3.400 . 3.400 2.666 2.558 2.733 . 0 0 "[ . 1 . 2]" 1
582 1 93 ASN HA 1 95 THR H 5.000 . 5.000 3.912 3.644 4.181 . 0 0 "[ . 1 . 2]" 1
583 1 94 ARG HA 1 95 THR H 5.000 . 5.000 3.524 3.470 3.563 . 0 0 "[ . 1 . 2]" 1
584 1 94 ARG QB 1 95 THR H 5.600 . 5.600 2.680 2.427 3.587 . 0 0 "[ . 1 . 2]" 1
585 1 94 ARG QG 1 95 THR H 5.600 . 5.600 3.886 2.417 4.456 . 0 0 "[ . 1 . 2]" 1
586 1 95 THR H 1 95 THR HA 2.800 . 2.800 2.809 2.782 2.849 0.049 15 0 "[ . 1 . 2]" 1
587 1 95 THR H 1 95 THR HB 2.800 . 2.800 2.622 2.080 2.913 0.113 20 0 "[ . 1 . 2]" 1
588 1 95 THR H 1 95 THR MG 4.080 . 4.080 3.492 3.446 3.519 . 0 0 "[ . 1 . 2]" 1
589 1 95 THR H 1 96 VAL HB 5.000 . 5.000 4.810 4.638 4.919 . 0 0 "[ . 1 . 2]" 1
590 1 95 THR H 1 96 VAL QG 6.700 . 6.700 4.000 3.890 4.113 . 0 0 "[ . 1 . 2]" 1
591 1 95 THR H 1 97 MET H 5.000 . 5.000 3.880 3.692 4.116 . 0 0 "[ . 1 . 2]" 1
592 1 93 ASN HA 1 96 VAL H 5.000 . 5.000 4.320 4.154 4.417 . 0 0 "[ . 1 . 2]" 1
593 1 93 ASN QB 1 96 VAL H 3.808 . 3.808 2.283 2.008 2.618 . 0 0 "[ . 1 . 2]" 1
594 1 94 ARG HA 1 96 VAL H 5.000 . 5.000 4.437 4.266 4.589 . 0 0 "[ . 1 . 2]" 1
595 1 94 ARG H 1 96 VAL H 6.000 . 6.000 4.145 3.886 4.341 . 0 0 "[ . 1 . 2]" 1
596 1 95 THR HA 1 96 VAL H 3.400 . 3.400 3.497 3.480 3.508 0.108 20 0 "[ . 1 . 2]" 1
597 1 95 THR HB 1 96 VAL H 2.800 . 2.800 2.732 2.569 2.828 0.028 12 0 "[ . 1 . 2]" 1
598 1 95 THR H 1 96 VAL H 2.800 . 2.800 2.555 2.434 2.628 . 0 0 "[ . 1 . 2]" 1
599 1 96 VAL H 1 96 VAL HA 2.800 . 2.800 2.832 2.826 2.842 0.042 13 0 "[ . 1 . 2]" 1
600 1 96 VAL H 1 96 VAL HB 2.800 . 2.800 2.539 2.485 2.590 . 0 0 "[ . 1 . 2]" 1
601 1 96 VAL H 1 96 VAL MG2 3.760 . 3.760 2.209 2.110 2.380 . 0 0 "[ . 1 . 2]" 1
602 1 96 VAL H 1 97 MET H 2.800 . 2.800 2.510 2.452 2.538 . 0 0 "[ . 1 . 2]" 1
603 1 96 VAL H 1 98 ASP H 5.000 . 5.000 3.943 3.857 4.043 . 0 0 "[ . 1 . 2]" 1
604 1 91 PHE QB 1 97 MET H 5.000 . 5.000 3.647 3.476 3.826 . 0 0 "[ . 1 . 2]" 1
605 1 94 ARG HA 1 97 MET H 3.400 . 3.400 3.407 3.279 3.453 0.053 3 0 "[ . 1 . 2]" 1
606 1 93 ASN HA 1 97 MET H 5.000 . 5.000 5.030 5.016 5.043 0.043 18 0 "[ . 1 . 2]" 1
607 1 95 THR HA 1 97 MET H 5.000 . 5.000 4.278 4.159 4.374 . 0 0 "[ . 1 . 2]" 1
608 1 96 VAL HA 1 97 MET H 3.400 . 3.400 3.482 3.468 3.504 0.104 6 0 "[ . 1 . 2]" 1
609 1 96 VAL QG 1 97 MET H 4.560 . 4.560 3.327 3.240 3.384 . 0 0 "[ . 1 . 2]" 1
610 1 97 MET H 1 97 MET QB 3.400 . 3.400 2.335 2.245 2.601 . 0 0 "[ . 1 . 2]" 1
611 1 97 MET H 1 97 MET QG 3.136 . 3.136 2.629 2.064 2.798 . 0 0 "[ . 1 . 2]" 1
612 1 97 MET H 1 98 ASP H 3.400 . 3.400 2.455 2.391 2.492 . 0 0 "[ . 1 . 2]" 1
613 1 97 MET H 1 99 ASN H 5.000 . 5.000 3.853 3.771 3.917 . 0 0 "[ . 1 . 2]" 1
614 1 94 ARG HA 1 98 ASP H 5.000 . 5.000 3.984 3.765 4.148 . 0 0 "[ . 1 . 2]" 1
615 1 95 THR HA 1 98 ASP H 3.400 . 3.400 3.427 3.421 3.432 0.032 20 0 "[ . 1 . 2]" 1
616 1 96 VAL HA 1 98 ASP H 5.000 . 5.000 4.255 4.205 4.313 . 0 0 "[ . 1 . 2]" 1
617 1 97 MET QB 1 98 ASP H 5.000 . 5.000 3.484 3.429 3.521 . 0 0 "[ . 1 . 2]" 1
618 1 97 MET QG 1 98 ASP H 3.808 . 3.808 2.201 2.087 2.410 . 0 0 "[ . 1 . 2]" 1
619 1 98 ASP H 1 98 ASP QB 2.800 . 2.800 2.314 2.204 2.393 . 0 0 "[ . 1 . 2]" 1
620 1 98 ASP H 1 98 ASP HA 2.800 . 2.800 2.857 2.842 2.876 0.076 5 0 "[ . 1 . 2]" 1
621 1 98 ASP H 1 99 ASN HA 6.000 . 6.000 5.033 4.948 5.097 . 0 0 "[ . 1 . 2]" 1
622 1 98 ASP H 1 99 ASN H 3.400 . 3.400 2.403 2.315 2.467 . 0 0 "[ . 1 . 2]" 1
623 1 95 THR HA 1 99 ASN H 5.000 . 5.000 4.151 3.933 4.431 . 0 0 "[ . 1 . 2]" 1
624 1 96 VAL HA 1 99 ASN H 3.400 . 3.400 3.416 3.406 3.425 0.025 16 0 "[ . 1 . 2]" 1
625 1 97 MET QB 1 99 ASN H 5.600 . 5.600 5.003 4.993 5.009 . 0 0 "[ . 1 . 2]" 1
626 1 98 ASP HA 1 99 ASN H 3.400 . 3.400 3.455 3.444 3.468 0.068 17 0 "[ . 1 . 2]" 1
627 1 98 ASP QB 1 99 ASN H 3.808 . 3.808 2.858 2.785 2.971 . 0 0 "[ . 1 . 2]" 1
628 1 99 ASN H 1 99 ASN HA 2.800 . 2.800 2.843 2.836 2.849 0.049 20 0 "[ . 1 . 2]" 1
629 1 99 ASN H 1 99 ASN QB 3.136 . 3.136 2.322 2.170 2.399 . 0 0 "[ . 1 . 2]" 1
630 1 99 ASN H 1 99 ASN QD 5.000 . 5.000 3.461 2.057 3.860 . 0 0 "[ . 1 . 2]" 1
631 1 99 ASN H 1 100 ILE HA 6.000 . 6.000 5.135 5.104 5.160 . 0 0 "[ . 1 . 2]" 1
632 1 99 ASN H 1 100 ILE H 3.400 . 3.400 2.462 2.433 2.494 . 0 0 "[ . 1 . 2]" 1
633 1 99 ASN H 1 101 LYS H 5.000 . 5.000 4.046 3.991 4.135 . 0 0 "[ . 1 . 2]" 1
634 1 96 VAL HA 1 99 ASN QD 5.000 . 5.000 2.930 2.516 4.180 . 0 0 "[ . 1 . 2]" 1
635 1 95 THR MG 1 99 ASN QD 4.080 . 4.080 2.505 1.928 2.772 . 0 0 "[ . 1 . 2]" 1
636 1 96 VAL HA 1 100 ILE H 5.000 . 5.000 4.393 4.258 4.543 . 0 0 "[ . 1 . 2]" 1
637 1 97 MET HA 1 100 ILE H 5.000 . 5.000 3.536 3.436 3.662 . 0 0 "[ . 1 . 2]" 1
638 1 98 ASP HA 1 100 ILE H 5.000 . 5.000 4.109 4.030 4.182 . 0 0 "[ . 1 . 2]" 1
639 1 98 ASP H 1 100 ILE H 5.000 . 5.000 3.985 3.948 4.020 . 0 0 "[ . 1 . 2]" 1
640 1 99 ASN HA 1 100 ILE H 3.400 . 3.400 3.464 3.454 3.471 0.071 17 0 "[ . 1 . 2]" 1
641 1 99 ASN QB 1 100 ILE H 3.400 . 3.400 2.781 2.701 2.880 . 0 0 "[ . 1 . 2]" 1
642 1 99 ASN QD 1 100 ILE H 6.720 . 6.720 4.803 4.217 5.052 . 0 0 "[ . 1 . 2]" 1
643 1 100 ILE H 1 100 ILE HB 2.800 . 2.800 2.507 2.480 2.534 . 0 0 "[ . 1 . 2]" 1
644 1 100 ILE H 1 100 ILE QG 3.400 . 3.400 2.300 2.255 2.346 . 0 0 "[ . 1 . 2]" 1
645 1 100 ILE H 1 100 ILE MD 5.000 . 5.000 3.532 3.445 3.631 . 0 0 "[ . 1 . 2]" 1
646 1 100 ILE H 1 101 LYS H 3.400 . 3.400 2.391 2.366 2.424 . 0 0 "[ . 1 . 2]" 1
647 1 100 ILE H 1 103 THR HB 6.000 . 6.000 5.172 4.622 5.964 . 0 0 "[ . 1 . 2]" 1
648 1 98 ASP HA 1 101 LYS H 3.400 . 3.400 3.408 3.352 3.420 0.020 18 0 "[ . 1 . 2]" 1
649 1 99 ASN HA 1 101 LYS H 5.000 . 5.000 4.758 4.675 4.827 . 0 0 "[ . 1 . 2]" 1
650 1 100 ILE HB 1 101 LYS H 3.400 . 3.400 2.540 2.480 2.598 . 0 0 "[ . 1 . 2]" 1
651 1 100 ILE MG 1 101 LYS H 4.080 . 4.080 3.410 3.402 3.415 . 0 0 "[ . 1 . 2]" 1
652 1 101 LYS H 1 101 LYS QB 3.400 . 3.400 2.244 2.217 2.260 . 0 0 "[ . 1 . 2]" 1
653 1 101 LYS H 1 101 LYS QD 5.600 . 5.600 4.570 4.466 4.764 . 0 0 "[ . 1 . 2]" 1
654 1 101 LYS H 1 101 LYS QE 6.720 . 6.720 4.374 3.577 4.955 . 0 0 "[ . 1 . 2]" 1
655 1 101 LYS H 1 102 MET HA 6.000 . 6.000 5.350 5.256 5.448 . 0 0 "[ . 1 . 2]" 1
656 1 98 ASP HA 1 102 MET H 5.000 . 5.000 3.835 3.434 4.271 . 0 0 "[ . 1 . 2]" 1
657 1 99 ASN HA 1 102 MET H 5.000 . 5.000 4.014 3.825 4.207 . 0 0 "[ . 1 . 2]" 1
658 1 101 LYS HA 1 102 MET H 5.000 . 5.000 3.530 3.493 3.566 . 0 0 "[ . 1 . 2]" 1
659 1 101 LYS QB 1 102 MET H 5.000 . 5.000 2.721 2.347 3.497 . 0 0 "[ . 1 . 2]" 1
660 1 101 LYS QG 1 102 MET H 5.600 . 5.600 3.480 2.194 3.858 . 0 0 "[ . 1 . 2]" 1
661 1 101 LYS QE 1 102 MET H 6.720 . 6.720 4.485 4.013 5.189 . 0 0 "[ . 1 . 2]" 1
662 1 101 LYS H 1 102 MET H 3.400 . 3.400 2.766 2.644 2.906 . 0 0 "[ . 1 . 2]" 1
663 1 102 MET H 1 102 MET QB 3.400 . 3.400 2.366 2.247 2.500 . 0 0 "[ . 1 . 2]" 1
664 1 102 MET H 1 102 MET QG 5.000 . 5.000 2.702 2.247 3.995 . 0 0 "[ . 1 . 2]" 1
665 1 102 MET H 1 103 THR H 3.400 . 3.400 2.531 2.425 2.646 . 0 0 "[ . 1 . 2]" 1
666 1 102 MET H 1 103 THR HB 6.000 . 6.000 4.602 4.353 5.229 . 0 0 "[ . 1 . 2]" 1
667 1 102 MET H 1 104 LEU H 5.000 . 5.000 3.925 3.754 4.117 . 0 0 "[ . 1 . 2]" 1
668 1 99 ASN HA 1 103 THR H 5.000 . 5.000 4.359 4.104 4.754 . 0 0 "[ . 1 . 2]" 1
669 1 100 ILE HA 1 103 THR H 3.400 . 3.400 3.405 3.380 3.429 0.029 18 0 "[ . 1 . 2]" 1
670 1 101 LYS H 1 103 THR H 5.000 . 5.000 4.225 4.002 4.482 . 0 0 "[ . 1 . 2]" 1
671 1 102 MET HA 1 103 THR H 3.400 . 3.400 3.503 3.467 3.529 0.129 3 0 "[ . 1 . 2]" 1
672 1 102 MET QB 1 103 THR H 3.400 . 3.400 2.567 2.393 2.801 . 0 0 "[ . 1 . 2]" 1
673 1 103 THR H 1 103 THR HA 2.800 . 2.800 2.826 2.772 2.859 0.059 18 0 "[ . 1 . 2]" 1
674 1 103 THR H 1 103 THR HB 2.800 . 2.800 2.313 2.085 2.912 0.112 12 0 "[ . 1 . 2]" 1
675 1 103 THR H 1 103 THR MG 4.080 . 4.080 3.062 2.556 3.523 . 0 0 "[ . 1 . 2]" 1
676 1 103 THR H 1 104 LEU H 3.400 . 3.400 2.556 2.395 2.723 . 0 0 "[ . 1 . 2]" 1
677 1 103 THR H 1 105 GLN H 5.000 . 5.000 3.957 3.722 4.081 . 0 0 "[ . 1 . 2]" 1
678 1 104 LEU H 1 104 LEU QB 3.400 . 3.400 2.297 2.176 2.441 . 0 0 "[ . 1 . 2]" 1
679 1 104 LEU H 1 104 LEU HG 3.400 . 3.400 2.630 2.264 3.089 . 0 0 "[ . 1 . 2]" 1
680 1 104 LEU H 1 106 GLN H 5.000 . 5.000 4.058 3.972 4.133 . 0 0 "[ . 1 . 2]" 1
681 1 48 LEU QD 1 105 GLN H 4.590 . 4.590 2.876 2.312 3.405 . 0 0 "[ . 1 . 2]" 1
682 1 101 LYS HA 1 105 GLN H 5.000 . 5.000 4.247 3.850 4.549 . 0 0 "[ . 1 . 2]" 1
683 1 103 THR HA 1 105 GLN H 5.000 . 5.000 4.175 4.037 4.331 . 0 0 "[ . 1 . 2]" 1
684 1 102 MET HA 1 105 GLN H 3.400 . 3.400 3.429 3.421 3.445 0.045 18 0 "[ . 1 . 2]" 1
685 1 104 LEU H 1 105 GLN H 3.400 . 3.400 2.535 2.336 2.621 . 0 0 "[ . 1 . 2]" 1
686 1 104 LEU QB 1 105 GLN H 5.600 . 5.600 2.790 2.641 3.451 . 0 0 "[ . 1 . 2]" 1
687 1 104 LEU HG 1 105 GLN H 5.000 . 5.000 4.498 2.442 4.803 . 0 0 "[ . 1 . 2]" 1
688 1 104 LEU QD 1 105 GLN H 6.000 . 6.000 4.150 3.190 4.249 . 0 0 "[ . 1 . 2]" 1
689 1 105 GLN H 1 105 GLN QB 3.136 . 3.136 2.234 2.052 2.366 . 0 0 "[ . 1 . 2]" 1
690 1 105 GLN H 1 105 GLN QG 3.808 . 3.808 2.752 2.430 3.394 . 0 0 "[ . 1 . 2]" 1
691 1 105 GLN H 1 106 GLN H 3.400 . 3.400 2.550 2.520 2.578 . 0 0 "[ . 1 . 2]" 1
692 1 105 GLN HA 1 105 GLN QE 5.000 . 5.000 4.149 2.245 4.464 . 0 0 "[ . 1 . 2]" 1
693 1 102 MET HA 1 106 GLN H 5.000 . 5.000 4.530 4.295 4.841 . 0 0 "[ . 1 . 2]" 1
694 1 103 THR HA 1 106 GLN H 3.400 . 3.400 3.431 3.419 3.460 0.060 15 0 "[ . 1 . 2]" 1
695 1 103 THR MG 1 106 GLN H 6.000 . 6.000 4.757 4.600 4.891 . 0 0 "[ . 1 . 2]" 1
696 1 105 GLN HA 1 106 GLN H 3.400 . 3.400 3.481 3.473 3.499 0.099 15 0 "[ . 1 . 2]" 1
697 1 105 GLN QB 1 106 GLN H 3.808 . 3.808 2.847 2.693 3.430 . 0 0 "[ . 1 . 2]" 1
698 1 106 GLN H 1 106 GLN HA 2.800 . 2.800 2.824 2.817 2.830 0.030 15 0 "[ . 1 . 2]" 1
699 1 106 GLN H 1 106 GLN QB 3.136 . 3.136 2.412 2.233 2.657 . 0 0 "[ . 1 . 2]" 1
700 1 106 GLN H 1 106 GLN QG 3.400 . 3.400 2.303 1.950 2.803 . 0 0 "[ . 1 . 2]" 1
701 1 106 GLN H 1 107 ILE H 3.400 . 3.400 2.614 2.574 2.648 . 0 0 "[ . 1 . 2]" 1
702 1 106 GLN H 1 107 ILE HB 5.000 . 5.000 4.789 4.754 4.817 . 0 0 "[ . 1 . 2]" 1
703 1 106 GLN H 1 107 ILE QG 5.000 . 5.000 4.137 4.071 4.179 . 0 0 "[ . 1 . 2]" 1
704 1 104 LEU HA 1 107 ILE H 3.400 . 3.400 3.405 3.274 3.426 0.026 15 0 "[ . 1 . 2]" 1
705 1 106 GLN QB 1 107 ILE H 3.808 . 3.808 2.664 2.550 3.402 . 0 0 "[ . 1 . 2]" 1
706 1 107 ILE H 1 107 ILE MD 4.080 . 4.080 3.389 3.220 3.410 . 0 0 "[ . 1 . 2]" 1
707 1 107 ILE H 1 108 ILE H 3.400 . 3.400 2.691 2.667 2.714 . 0 0 "[ . 1 . 2]" 1
708 1 105 GLN HA 1 108 ILE H 3.400 . 3.400 3.414 3.403 3.422 0.022 2 0 "[ . 1 . 2]" 1
709 1 106 GLN HA 1 108 ILE H 5.000 . 5.000 4.324 4.300 4.365 . 0 0 "[ . 1 . 2]" 1
710 1 107 ILE HA 1 108 ILE H 5.000 . 5.000 3.528 3.524 3.531 . 0 0 "[ . 1 . 2]" 1
711 1 107 ILE MD 1 108 ILE H 6.000 . 6.000 4.386 4.225 4.456 . 0 0 "[ . 1 . 2]" 1
712 1 107 ILE MG 1 108 ILE H 4.080 . 4.080 3.429 3.418 3.437 . 0 0 "[ . 1 . 2]" 1
713 1 108 ILE H 1 108 ILE HA 2.800 . 2.800 2.770 2.764 2.775 . 0 0 "[ . 1 . 2]" 1
714 1 108 ILE H 1 109 SER QB 5.600 . 5.600 4.598 4.470 4.790 . 0 0 "[ . 1 . 2]" 1
715 1 106 GLN HA 1 109 SER H 3.400 . 3.400 3.452 3.437 3.459 0.059 13 0 "[ . 1 . 2]" 1
716 1 107 ILE HA 1 109 SER H 5.000 . 5.000 4.539 4.528 4.555 . 0 0 "[ . 1 . 2]" 1
717 1 107 ILE MG 1 109 SER H 6.000 . 6.000 5.038 5.032 5.045 . 0 0 "[ . 1 . 2]" 1
718 1 107 ILE H 1 109 SER H 5.000 . 5.000 4.318 4.302 4.335 . 0 0 "[ . 1 . 2]" 1
719 1 108 ILE HA 1 109 SER H 3.400 . 3.400 3.490 3.488 3.492 0.092 2 0 "[ . 1 . 2]" 1
720 1 108 ILE HB 1 109 SER H 2.800 . 2.800 2.176 2.170 2.180 . 0 0 "[ . 1 . 2]" 1
721 1 108 ILE MD 1 109 SER H 5.000 . 5.000 4.186 4.177 4.194 . 0 0 "[ . 1 . 2]" 1
722 1 108 ILE QG 1 109 SER H 3.808 . 3.808 3.443 3.436 3.452 . 0 0 "[ . 1 . 2]" 1
723 1 108 ILE MG 1 109 SER H 4.080 . 4.080 3.456 3.448 3.464 . 0 0 "[ . 1 . 2]" 1
724 1 108 ILE H 1 109 SER H 2.800 . 2.800 2.781 2.771 2.801 0.001 20 0 "[ . 1 . 2]" 1
725 1 109 SER H 1 109 SER HA 2.800 . 2.800 2.776 2.766 2.791 . 0 0 "[ . 1 . 2]" 1
726 1 109 SER H 1 109 SER QB 3.136 . 3.136 2.365 2.223 2.571 . 0 0 "[ . 1 . 2]" 1
727 1 109 SER H 1 110 ARG H 2.800 . 2.800 2.724 2.679 2.754 . 0 0 "[ . 1 . 2]" 1
728 1 109 SER H 1 111 TYR H 5.000 . 5.000 4.214 4.144 4.282 . 0 0 "[ . 1 . 2]" 1
729 1 107 ILE HA 1 110 ARG H 3.400 . 3.400 3.371 3.324 3.406 0.006 6 0 "[ . 1 . 2]" 1
730 1 107 ILE MG 1 110 ARG H 6.000 . 6.000 4.164 4.098 4.239 . 0 0 "[ . 1 . 2]" 1
731 1 108 ILE HA 1 110 ARG H 5.000 . 5.000 4.052 3.948 4.185 . 0 0 "[ . 1 . 2]" 1
732 1 108 ILE HB 1 110 ARG H 6.000 . 6.000 4.586 4.529 4.649 . 0 0 "[ . 1 . 2]" 1
733 1 108 ILE H 1 110 ARG H 5.000 . 5.000 3.970 3.908 4.036 . 0 0 "[ . 1 . 2]" 1
734 1 109 SER HA 1 110 ARG H 3.400 . 3.400 3.467 3.450 3.480 0.080 16 0 "[ . 1 . 2]" 1
735 1 109 SER QB 1 110 ARG H 3.808 . 3.808 2.847 2.778 3.411 . 0 0 "[ . 1 . 2]" 1
736 1 110 ARG H 1 110 ARG HA 2.800 . 2.800 2.838 2.822 2.848 0.048 19 0 "[ . 1 . 2]" 1
737 1 110 ARG H 1 110 ARG QG 3.808 . 3.808 2.465 2.045 3.407 . 0 0 "[ . 1 . 2]" 1
738 1 110 ARG H 1 111 TYR H 2.800 . 2.800 2.492 2.441 2.558 . 0 0 "[ . 1 . 2]" 1
739 1 110 ARG H 1 112 LYS H 5.000 . 5.000 3.912 3.825 3.997 . 0 0 "[ . 1 . 2]" 1
740 1 107 ILE MG 1 111 TYR H 6.000 . 6.000 4.023 3.844 4.164 . 0 0 "[ . 1 . 2]" 1
741 1 108 ILE MG 1 111 TYR H 6.000 . 6.000 4.433 4.356 4.523 . 0 0 "[ . 1 . 2]" 1
742 1 108 ILE HA 1 111 TYR H 3.400 . 3.400 3.416 3.408 3.422 0.022 9 0 "[ . 1 . 2]" 1
743 1 109 SER QB 1 111 TYR H 5.600 . 5.600 4.781 4.708 4.993 . 0 0 "[ . 1 . 2]" 1
744 1 110 ARG HA 1 111 TYR H 3.400 . 3.400 3.477 3.472 3.486 0.086 5 0 "[ . 1 . 2]" 1
745 1 110 ARG QG 1 111 TYR H 5.600 . 5.600 3.877 2.629 4.190 . 0 0 "[ . 1 . 2]" 1
746 1 111 TYR H 1 111 TYR QB 2.800 . 2.800 2.240 2.179 2.330 . 0 0 "[ . 1 . 2]" 1
747 1 111 TYR H 1 111 TYR QD 3.136 . 3.136 2.783 2.523 2.802 . 0 0 "[ . 1 . 2]" 1
748 1 111 TYR H 1 111 TYR QE 5.600 . 5.600 4.787 4.599 4.901 . 0 0 "[ . 1 . 2]" 1
749 1 111 TYR H 1 112 LYS H 2.800 . 2.800 2.456 2.398 2.491 . 0 0 "[ . 1 . 2]" 1
750 1 111 TYR H 1 112 LYS HA 6.000 . 6.000 5.092 5.050 5.115 . 0 0 "[ . 1 . 2]" 1
751 1 111 TYR H 1 113 ASP H 5.000 . 5.000 4.049 3.914 4.155 . 0 0 "[ . 1 . 2]" 1
752 1 108 ILE HA 1 112 LYS H 5.000 . 5.000 4.622 4.417 4.800 . 0 0 "[ . 1 . 2]" 1
753 1 108 ILE MG 1 112 LYS H 6.000 . 6.000 4.363 4.153 4.504 . 0 0 "[ . 1 . 2]" 1
754 1 109 SER HA 1 112 LYS H 3.400 . 3.400 3.387 3.346 3.405 0.005 20 0 "[ . 1 . 2]" 1
755 1 109 SER QB 1 112 LYS H 5.600 . 5.600 4.895 4.745 4.992 . 0 0 "[ . 1 . 2]" 1
756 1 110 ARG HA 1 112 LYS H 5.000 . 5.000 4.103 4.028 4.205 . 0 0 "[ . 1 . 2]" 1
757 1 111 TYR HA 1 112 LYS H 3.400 . 3.400 3.458 3.453 3.467 0.067 2 0 "[ . 1 . 2]" 1
758 1 111 TYR QB 1 112 LYS H 3.400 . 3.400 2.859 2.791 2.899 . 0 0 "[ . 1 . 2]" 1
759 1 111 TYR QD 1 112 LYS H 5.600 . 5.600 4.539 4.458 4.606 . 0 0 "[ . 1 . 2]" 1
760 1 112 LYS H 1 112 LYS HA 2.800 . 2.800 2.843 2.833 2.854 0.054 5 0 "[ . 1 . 2]" 1
761 1 112 LYS H 1 112 LYS QB 3.136 . 3.136 2.395 2.313 2.505 . 0 0 "[ . 1 . 2]" 1
762 1 112 LYS H 1 112 LYS QG 3.400 . 3.400 2.377 2.110 2.709 . 0 0 "[ . 1 . 2]" 1
763 1 112 LYS H 1 112 LYS QD 5.600 . 5.600 3.703 2.791 4.248 . 0 0 "[ . 1 . 2]" 1
764 1 112 LYS H 1 113 ASP H 2.800 . 2.800 2.502 2.438 2.549 . 0 0 "[ . 1 . 2]" 1
765 1 112 LYS H 1 113 ASP HA 6.000 . 6.000 5.116 5.047 5.167 . 0 0 "[ . 1 . 2]" 1
766 1 109 SER HA 1 113 ASP H 5.000 . 5.000 4.441 4.149 4.732 . 0 0 "[ . 1 . 2]" 1
767 1 110 ARG HA 1 113 ASP H 3.400 . 3.400 3.419 3.412 3.425 0.025 12 0 "[ . 1 . 2]" 1
768 1 110 ARG H 1 113 ASP H 6.000 . 6.000 4.841 4.654 4.998 . 0 0 "[ . 1 . 2]" 1
769 1 112 LYS QB 1 113 ASP H 3.136 . 3.136 2.695 2.599 2.795 . 0 0 "[ . 1 . 2]" 1
770 1 112 LYS QD 1 113 ASP H 5.600 . 5.600 4.855 4.398 4.995 . 0 0 "[ . 1 . 2]" 1
771 1 112 LYS QG 1 113 ASP H 5.600 . 5.600 4.143 3.985 4.335 . 0 0 "[ . 1 . 2]" 1
772 1 112 LYS QE 1 113 ASP H 5.600 . 5.600 4.978 4.825 4.993 . 0 0 "[ . 1 . 2]" 1
773 1 113 ASP H 1 113 ASP HA 2.800 . 2.800 2.797 2.792 2.803 0.003 17 0 "[ . 1 . 2]" 1
774 1 113 ASP H 1 113 ASP QB 2.800 . 2.800 2.319 2.241 2.413 . 0 0 "[ . 1 . 2]" 1
775 1 113 ASP H 1 114 ALA H 2.800 . 2.800 2.701 2.687 2.753 . 0 0 "[ . 1 . 2]" 1
776 1 113 ASP H 1 114 ALA MB 6.000 . 6.000 4.345 4.300 4.385 . 0 0 "[ . 1 . 2]" 1
777 1 113 ASP H 1 115 ASP H 5.000 . 5.000 4.168 4.127 4.270 . 0 0 "[ . 1 . 2]" 1
778 1 110 ARG HA 1 114 ALA H 5.000 . 5.000 4.814 4.530 5.002 0.002 16 0 "[ . 1 . 2]" 1
779 1 112 LYS QB 1 114 ALA H 5.600 . 5.600 4.715 4.646 4.866 . 0 0 "[ . 1 . 2]" 1
780 1 112 LYS H 1 114 ALA H 5.000 . 5.000 4.149 4.063 4.308 . 0 0 "[ . 1 . 2]" 1
781 1 113 ASP QB 1 114 ALA H 3.400 . 3.400 2.640 2.488 2.672 . 0 0 "[ . 1 . 2]" 1
782 1 114 ALA H 1 114 ALA HA 2.800 . 2.800 2.805 2.801 2.825 0.025 9 0 "[ . 1 . 2]" 1
783 1 114 ALA H 1 114 ALA MB 3.360 . 3.360 2.195 2.122 2.234 . 0 0 "[ . 1 . 2]" 1
784 1 114 ALA H 1 115 ASP H 2.800 . 2.800 2.656 2.647 2.670 . 0 0 "[ . 1 . 2]" 1
785 1 2 SER HA 1 99 ASN QB 3.808 . 3.808 2.706 1.980 3.396 . 0 0 "[ . 1 . 2]" 1
786 1 3 HIS HA 1 18 ILE HB 5.000 . 5.000 3.190 2.689 3.764 . 0 0 "[ . 1 . 2]" 1
787 1 3 HIS HA 1 100 ILE MD 6.000 . 6.000 3.457 3.137 3.730 . 0 0 "[ . 1 . 2]" 1
788 1 3 HIS QB 1 18 ILE HB 5.000 . 5.000 2.891 2.366 3.958 . 0 0 "[ . 1 . 2]" 1
789 1 3 HIS QB 1 18 ILE MD 6.000 . 6.000 3.968 3.377 4.453 . 0 0 "[ . 1 . 2]" 1
790 1 3 HIS HD2 1 18 ILE HB 3.400 . 3.400 3.239 3.113 3.401 0.001 14 0 "[ . 1 . 2]" 1
791 1 3 HIS HD2 1 18 ILE MG 4.080 . 4.080 1.898 1.825 2.204 . 0 0 "[ . 1 . 2]" 1
792 1 3 HIS HD2 1 20 GLU QG 5.000 . 5.000 3.573 2.852 4.264 . 0 0 "[ . 1 . 2]" 1
793 1 3 HIS HD2 1 103 THR MG 6.000 . 6.000 3.379 1.935 4.997 . 0 0 "[ . 1 . 2]" 1
794 1 4 SER HA 1 17 ALA HA 2.800 . 2.800 2.183 1.988 2.476 . 0 0 "[ . 1 . 2]" 1
795 1 4 SER HA 1 17 ALA MB 6.000 . 6.000 3.651 3.437 3.930 . 0 0 "[ . 1 . 2]" 1
796 1 4 SER HA 1 100 ILE MD 4.080 . 4.080 3.059 2.564 3.349 . 0 0 "[ . 1 . 2]" 1
797 1 4 SER QB 1 100 ILE MD 6.700 . 6.700 4.339 3.919 4.579 . 0 0 "[ . 1 . 2]" 1
798 1 4 SER QB 1 17 ALA MB 4.560 . 4.560 2.818 2.534 3.178 . 0 0 "[ . 1 . 2]" 1
799 1 5 GLY QA 1 96 VAL MG1 4.560 . 4.560 2.097 1.902 2.336 . 0 0 "[ . 1 . 2]" 1
800 1 5 GLY QA 1 96 VAL MG2 6.000 . 6.000 3.632 3.499 3.763 . 0 0 "[ . 1 . 2]" 1
801 1 6 ALA HA 1 15 ILE HA 2.800 . 2.800 1.878 1.817 1.923 . 0 0 "[ . 1 . 2]" 1
802 1 6 ALA HA 1 15 ILE QG 5.000 . 5.000 3.165 2.766 3.294 . 0 0 "[ . 1 . 2]" 1
803 1 6 ALA HA 1 7 ALA MB 6.000 . 6.000 3.903 3.898 3.911 . 0 0 "[ . 1 . 2]" 1
804 1 6 ALA MB 1 7 ALA HA 6.000 . 6.000 3.901 3.892 3.911 . 0 0 "[ . 1 . 2]" 1
805 1 7 ALA HA 1 16 ILE MD 6.000 . 6.000 4.311 4.270 4.341 . 0 0 "[ . 1 . 2]" 1
806 1 7 ALA MB 1 89 PHE QB 5.500 . 5.500 2.908 2.731 3.049 . 0 0 "[ . 1 . 2]" 1
807 1 7 ALA MB 1 16 ILE QG 4.560 . 4.560 2.278 2.193 2.394 . 0 0 "[ . 1 . 2]" 1
808 1 8 ILE HA 1 13 SER HA 2.800 . 2.800 1.972 1.942 2.024 . 0 0 "[ . 1 . 2]" 1
809 1 8 ILE HB 1 90 SER QB 3.400 . 3.400 1.926 1.890 1.972 . 0 0 "[ . 1 . 2]" 1
810 1 8 ILE MG 1 90 SER QB 4.560 . 4.560 2.745 2.505 2.935 . 0 0 "[ . 1 . 2]" 1
811 1 8 ILE MD 1 90 SER QB 6.000 . 6.000 2.018 1.863 2.746 . 0 0 "[ . 1 . 2]" 1
812 1 8 ILE MG 1 9 PHE HA 6.000 . 6.000 3.375 3.352 3.389 . 0 0 "[ . 1 . 2]" 1
813 1 8 ILE MG 1 12 VAL HA 6.000 . 6.000 3.284 3.256 3.336 . 0 0 "[ . 1 . 2]" 1
814 1 9 PHE HA 1 9 PHE QD 3.400 . 3.400 2.284 2.274 2.296 . 0 0 "[ . 1 . 2]" 1
815 1 9 PHE HA 1 89 PHE HA 5.000 . 5.000 3.056 2.839 3.265 . 0 0 "[ . 1 . 2]" 1
816 1 8 ILE MD 1 11 LYS HA 6.000 . 6.000 4.306 4.296 4.320 . 0 0 "[ . 1 . 2]" 1
817 1 8 ILE MG 1 11 LYS HA 3.360 . 3.360 2.753 2.742 2.772 . 0 0 "[ . 1 . 2]" 1
818 1 10 GLU HA 1 11 LYS QG 5.600 . 5.600 4.038 4.004 4.087 . 0 0 "[ . 1 . 2]" 1
819 1 12 VAL QG 1 31 SER QB 4.560 . 4.560 2.730 2.578 2.907 . 0 0 "[ . 1 . 2]" 1
820 1 8 ILE MD 1 13 SER HA 6.000 . 6.000 4.071 4.022 4.143 . 0 0 "[ . 1 . 2]" 1
821 1 8 ILE QG 1 13 SER HA 3.808 . 3.808 2.387 2.328 2.476 . 0 0 "[ . 1 . 2]" 1
822 1 8 ILE MG 1 13 SER HA 6.000 . 6.000 2.762 2.739 2.783 . 0 0 "[ . 1 . 2]" 1
823 1 8 ILE QG 1 13 SER QB 6.700 . 6.700 2.241 1.973 2.664 . 0 0 "[ . 1 . 2]" 1
824 1 8 ILE MD 1 13 SER QB 6.700 . 6.700 3.349 3.012 3.819 . 0 0 "[ . 1 . 2]" 1
825 1 13 SER QB 1 32 THR MG 6.000 . 6.000 4.248 4.117 4.459 . 0 0 "[ . 1 . 2]" 1
826 1 14 GLY QA 1 32 THR MG 6.000 . 6.000 4.460 4.411 4.466 . 0 0 "[ . 1 . 2]" 1
827 1 6 ALA MB 1 15 ILE HA 4.080 . 4.080 3.200 3.165 3.239 . 0 0 "[ . 1 . 2]" 1
828 1 6 ALA HA 1 15 ILE MD 4.080 . 4.080 3.407 3.404 3.416 . 0 0 "[ . 1 . 2]" 1
829 1 7 ALA MB 1 15 ILE HA 6.000 . 6.000 4.602 4.495 4.649 . 0 0 "[ . 1 . 2]" 1
830 1 4 SER HA 1 15 ILE MG 6.000 . 6.000 4.290 4.138 4.514 . 0 0 "[ . 1 . 2]" 1
831 1 4 SER QB 1 15 ILE MG 4.560 . 4.560 3.202 2.908 3.393 . 0 0 "[ . 1 . 2]" 1
832 1 6 ALA HA 1 15 ILE MG 4.080 . 4.080 3.352 3.283 3.404 . 0 0 "[ . 1 . 2]" 1
833 1 15 ILE MG 1 17 ALA HA 6.000 . 6.000 4.081 3.943 4.220 . 0 0 "[ . 1 . 2]" 1
834 1 7 ALA MB 1 16 ILE MD 5.400 . 5.400 1.859 1.824 1.895 . 0 0 "[ . 1 . 2]" 1
835 1 16 ILE HA 1 27 LEU QD 6.000 . 6.000 3.172 3.070 3.783 . 0 0 "[ . 1 . 2]" 1
836 1 16 ILE QG 1 29 TRP HA 5.000 . 5.000 2.720 2.695 2.748 . 0 0 "[ . 1 . 2]" 1
837 1 16 ILE MG 1 29 TRP HA 6.000 . 6.000 4.469 4.417 4.540 . 0 0 "[ . 1 . 2]" 1
838 1 4 SER QB 1 17 ALA HA 3.400 . 3.400 2.653 2.224 2.833 . 0 0 "[ . 1 . 2]" 1
839 1 17 ALA MB 1 28 THR HB 4.080 . 4.080 2.600 2.475 2.728 . 0 0 "[ . 1 . 2]" 1
840 1 18 ILE HA 1 27 LEU HA 2.800 . 2.800 2.254 2.142 2.343 . 0 0 "[ . 1 . 2]" 1
841 1 3 HIS HA 1 18 ILE MD 4.080 . 4.080 2.983 2.292 3.400 . 0 0 "[ . 1 . 2]" 1
842 1 19 ASN QB 1 22 VAL QG 6.700 . 6.700 3.190 2.345 3.827 . 0 0 "[ . 1 . 2]" 1
843 1 19 ASN QB 1 26 GLU QB 5.600 . 5.600 3.192 2.412 4.187 . 0 0 "[ . 1 . 2]" 1
844 1 20 GLU HA 1 25 ALA HA 3.400 . 3.400 2.865 2.662 3.180 . 0 0 "[ . 1 . 2]" 1
845 1 20 GLU HA 1 25 ALA MB 4.080 . 4.080 1.853 1.820 1.911 . 0 0 "[ . 1 . 2]" 1
846 1 20 GLU QB 1 25 ALA MB 6.000 . 6.000 2.825 2.575 3.146 . 0 0 "[ . 1 . 2]" 1
847 1 22 VAL HA 1 22 VAL HB 2.800 . 2.800 2.736 2.618 2.956 0.156 13 0 "[ . 1 . 2]" 1
848 1 22 VAL HB 1 25 ALA HA 5.000 . 5.000 3.570 2.092 4.396 . 0 0 "[ . 1 . 2]" 1
849 1 21 ASP HA 1 22 VAL QG 6.700 . 6.700 4.803 4.460 4.987 . 0 0 "[ . 1 . 2]" 1
850 1 21 ASP QB 1 22 VAL QG 6.700 . 6.700 3.774 2.948 4.242 . 0 0 "[ . 1 . 2]" 1
851 1 22 VAL QG 1 25 ALA HA 4.080 . 4.080 2.282 1.853 3.036 . 0 0 "[ . 1 . 2]" 1
852 1 20 GLU HA 1 22 VAL QG 6.700 . 6.700 3.830 3.655 4.102 . 0 0 "[ . 1 . 2]" 1
853 1 23 SER QB 1 24 PRO HA 5.000 . 5.000 3.256 3.147 3.379 . 0 0 "[ . 1 . 2]" 1
854 1 23 SER HA 1 24 PRO QB 5.000 . 5.000 3.814 3.792 3.856 . 0 0 "[ . 1 . 2]" 1
855 1 20 GLU QG 1 25 ALA MB 6.000 . 6.000 3.319 2.181 4.283 . 0 0 "[ . 1 . 2]" 1
856 1 25 ALA MB 1 42 LEU QD 5.000 . 5.000 2.417 1.977 2.726 . 0 0 "[ . 1 . 2]" 1
857 1 22 VAL QG 1 26 GLU QG 6.700 . 6.700 2.658 2.174 3.110 . 0 0 "[ . 1 . 2]" 1
858 1 26 GLU HA 1 26 GLU QG 3.808 . 3.808 2.410 2.398 2.423 . 0 0 "[ . 1 . 2]" 1
859 1 26 GLU HA 1 41 VAL HA 2.800 . 2.800 2.764 2.596 2.818 0.018 2 0 "[ . 1 . 2]" 1
860 1 26 GLU QG 1 41 VAL HA 5.000 . 5.000 2.309 1.988 3.136 . 0 0 "[ . 1 . 2]" 1
861 1 16 ILE MD 1 27 LEU QD 4.896 . 4.896 1.901 1.837 2.119 . 0 0 "[ . 1 . 2]" 1
862 1 18 ILE HA 1 27 LEU QD 6.700 . 6.700 3.097 2.311 3.485 . 0 0 "[ . 1 . 2]" 1
863 1 26 GLU QB 1 27 LEU HA 5.000 . 5.000 4.184 4.101 4.276 . 0 0 "[ . 1 . 2]" 1
864 1 27 LEU QD 1 40 VAL MG2 4.508 . 4.508 2.420 2.025 2.787 . 0 0 "[ . 1 . 2]" 1
865 1 27 LEU QD 1 40 VAL MG1 5.474 . 5.474 3.350 2.975 3.390 . 0 0 "[ . 1 . 2]" 1
866 1 27 LEU QB 1 40 VAL MG1 6.000 . 6.000 3.216 3.128 3.320 . 0 0 "[ . 1 . 2]" 1
867 1 27 LEU QB 1 40 VAL MG2 6.000 . 6.000 3.121 2.932 3.350 . 0 0 "[ . 1 . 2]" 1
868 1 27 LEU QB 1 42 LEU QD 6.700 . 6.700 1.871 1.759 2.069 0.041 20 0 "[ . 1 . 2]" 1
869 1 27 LEU QD 1 28 THR HA 6.000 . 6.000 3.705 3.293 4.455 . 0 0 "[ . 1 . 2]" 1
870 1 28 THR MG 1 29 TRP HA 6.000 . 6.000 4.491 4.477 4.545 . 0 0 "[ . 1 . 2]" 1
871 1 28 THR HA 1 37 VAL QG 6.750 . 6.750 3.953 3.819 4.213 . 0 0 "[ . 1 . 2]" 1
872 1 28 THR HB 1 37 VAL QG 6.750 . 6.750 3.792 3.675 4.054 . 0 0 "[ . 1 . 2]" 1
873 1 28 THR HA 1 39 THR MG 4.080 . 4.080 3.179 3.108 3.247 . 0 0 "[ . 1 . 2]" 1
874 1 28 THR HB 1 39 THR HA 5.000 . 5.000 5.004 4.952 5.027 0.027 1 0 "[ . 1 . 2]" 1
875 1 28 THR HB 1 39 THR MG 6.000 . 6.000 4.998 4.997 5.000 . 0 0 "[ . 1 . 2]" 1
876 1 28 THR MG 1 39 THR HA 4.080 . 4.080 3.090 2.981 3.179 . 0 0 "[ . 1 . 2]" 1
877 1 16 ILE HA 1 29 TRP HA 2.800 . 2.800 2.213 2.177 2.244 . 0 0 "[ . 1 . 2]" 1
878 1 16 ILE MD 1 29 TRP HA 6.000 . 6.000 4.346 4.319 4.373 . 0 0 "[ . 1 . 2]" 1
879 1 16 ILE HA 1 29 TRP HD1 5.000 . 5.000 2.838 2.798 2.875 . 0 0 "[ . 1 . 2]" 1
880 1 16 ILE HB 1 29 TRP HD1 5.000 . 5.000 3.546 3.484 3.584 . 0 0 "[ . 1 . 2]" 1
881 1 16 ILE MD 1 29 TRP HD1 6.000 . 6.000 3.460 3.443 3.481 . 0 0 "[ . 1 . 2]" 1
882 1 16 ILE QG 1 29 TRP HD1 3.400 . 3.400 1.779 1.761 1.806 0.039 2 0 "[ . 1 . 2]" 1
883 1 29 TRP HA 1 29 TRP HD1 5.000 . 5.000 2.432 2.423 2.441 . 0 0 "[ . 1 . 2]" 1
884 1 27 LEU QD 1 29 TRP QB 6.700 . 6.700 3.205 2.729 3.837 . 0 0 "[ . 1 . 2]" 1
885 1 30 ARG HA 1 37 VAL HA 2.800 . 2.800 2.226 2.167 2.263 . 0 0 "[ . 1 . 2]" 1
886 1 30 ARG HA 1 37 VAL HB 5.000 . 5.000 4.756 4.597 4.854 . 0 0 "[ . 1 . 2]" 1
887 1 30 ARG HA 1 37 VAL QG 4.590 . 4.590 2.500 2.409 2.599 . 0 0 "[ . 1 . 2]" 1
888 1 30 ARG QB 1 37 VAL QG 6.750 . 6.750 2.790 2.429 3.045 . 0 0 "[ . 1 . 2]" 1
889 1 30 ARG QD 1 37 VAL QG 6.750 . 6.750 2.936 2.585 3.423 . 0 0 "[ . 1 . 2]" 1
890 1 14 GLY QA 1 31 SER HA 3.808 . 3.808 2.112 2.040 2.177 . 0 0 "[ . 1 . 2]" 1
891 1 12 VAL QG 1 31 SER HA 6.700 . 6.700 3.356 3.285 3.433 . 0 0 "[ . 1 . 2]" 1
892 1 31 SER QB 1 36 LYS QB 5.600 . 5.600 2.615 1.803 3.019 . 0 0 "[ . 1 . 2]" 1
893 1 31 SER QB 1 36 LYS QD 5.600 . 5.600 4.135 2.934 4.446 . 0 0 "[ . 1 . 2]" 1
894 1 32 THR MG 1 33 ASP HA 6.000 . 6.000 3.112 3.085 3.153 . 0 0 "[ . 1 . 2]" 1
895 1 30 ARG QG 1 34 GLY QA 5.600 . 5.600 3.379 2.200 4.448 . 0 0 "[ . 1 . 2]" 1
896 1 35 ASP HA 1 37 VAL QG 6.750 . 6.750 4.542 4.146 4.650 . 0 0 "[ . 1 . 2]" 1
897 1 36 LYS HA 1 37 VAL QG 6.750 . 6.750 3.552 3.496 3.598 . 0 0 "[ . 1 . 2]" 1
898 1 30 ARG QB 1 37 VAL HA 5.000 . 5.000 4.050 3.844 4.225 . 0 0 "[ . 1 . 2]" 1
899 1 30 ARG QG 1 37 VAL HA 5.000 . 5.000 3.345 3.106 3.684 . 0 0 "[ . 1 . 2]" 1
900 1 37 VAL QG 1 38 HIS HA 6.750 . 6.750 3.810 3.773 3.902 . 0 0 "[ . 1 . 2]" 1
901 1 29 TRP QB 1 38 HIS QB 6.250 . 6.250 1.963 1.930 2.003 . 0 0 "[ . 1 . 2]" 1
902 1 39 THR HA 1 40 VAL QG 6.700 . 6.700 3.306 3.278 3.337 . 0 0 "[ . 1 . 2]" 1
903 1 27 LEU QD 1 39 THR HA 6.700 . 6.700 4.591 3.952 4.988 . 0 0 "[ . 1 . 2]" 1
904 1 37 VAL QG 1 39 THR HA 6.750 . 6.750 4.441 4.382 4.549 . 0 0 "[ . 1 . 2]" 1
905 1 28 THR HA 1 39 THR HB 5.000 . 5.000 4.985 4.859 5.028 0.028 14 0 "[ . 1 . 2]" 1
906 1 28 THR MG 1 39 THR HB 6.000 . 6.000 4.496 4.374 4.585 . 0 0 "[ . 1 . 2]" 1
907 1 27 LEU QD 1 40 VAL HB 6.000 . 6.000 2.774 2.265 3.054 . 0 0 "[ . 1 . 2]" 1
908 1 26 GLU QB 1 41 VAL HA 5.000 . 5.000 3.503 3.312 3.991 . 0 0 "[ . 1 . 2]" 1
909 1 41 VAL HB 1 44 THR MG 4.080 . 4.080 1.876 1.819 1.960 . 0 0 "[ . 1 . 2]" 1
910 1 18 ILE HA 1 42 LEU QD 6.700 . 6.700 3.635 3.319 3.951 . 0 0 "[ . 1 . 2]" 1
911 1 25 ALA MB 1 42 LEU QB 6.000 . 6.000 2.824 2.348 3.300 . 0 0 "[ . 1 . 2]" 1
912 1 26 GLU HA 1 42 LEU HG 3.400 . 3.400 2.160 1.974 2.702 . 0 0 "[ . 1 . 2]" 1
913 1 40 VAL MG1 1 42 LEU HA 5.000 . 5.000 3.932 3.735 4.013 . 0 0 "[ . 1 . 2]" 1
914 1 40 VAL MG1 1 42 LEU QD 4.560 . 4.560 2.812 2.778 2.820 . 0 0 "[ . 1 . 2]" 1
915 1 40 VAL MG2 1 42 LEU QD 6.700 . 6.700 4.146 4.143 4.150 . 0 0 "[ . 1 . 2]" 1
916 1 42 LEU HA 1 42 LEU QD 3.760 . 3.760 2.072 1.968 2.172 . 0 0 "[ . 1 . 2]" 1
917 1 42 LEU HA 1 45 ILE HB 5.000 . 5.000 3.362 3.105 3.720 . 0 0 "[ . 1 . 2]" 1
918 1 42 LEU HA 1 45 ILE QG 5.000 . 5.000 1.910 1.835 2.146 . 0 0 "[ . 1 . 2]" 1
919 1 42 LEU HA 1 45 ILE MD 6.000 . 6.000 3.381 2.989 3.794 . 0 0 "[ . 1 . 2]" 1
920 1 42 LEU QD 1 104 LEU HA 6.000 . 6.000 3.704 3.374 3.935 . 0 0 "[ . 1 . 2]" 1
921 1 42 LEU QB 1 107 ILE MG 6.000 . 6.000 2.224 1.930 2.449 . 0 0 "[ . 1 . 2]" 1
922 1 43 SER HA 1 111 TYR QB 5.000 . 5.000 4.435 4.149 4.460 . 0 0 "[ . 1 . 2]" 1
923 1 44 THR HB 1 45 ILE MD 6.000 . 6.000 4.762 4.600 4.873 . 0 0 "[ . 1 . 2]" 1
924 1 44 THR HA 1 65 LYS QD 3.808 . 3.808 2.696 1.988 3.395 . 0 0 "[ . 1 . 2]" 1
925 1 44 THR HA 1 65 LYS QE 5.600 . 5.600 3.916 2.761 4.827 . 0 0 "[ . 1 . 2]" 1
926 1 40 VAL MG1 1 45 ILE QG 6.000 . 6.000 3.462 3.002 3.832 . 0 0 "[ . 1 . 2]" 1
927 1 40 VAL MG1 1 45 ILE MG 7.200 . 7.200 4.789 4.443 4.993 . 0 0 "[ . 1 . 2]" 1
928 1 40 VAL MG1 1 45 ILE MD 4.032 . 4.032 2.640 2.205 2.794 . 0 0 "[ . 1 . 2]" 1
929 1 40 VAL MG2 1 45 ILE MD 7.200 . 7.200 4.751 4.280 4.950 . 0 0 "[ . 1 . 2]" 1
930 1 45 ILE HA 1 45 ILE MD 3.360 . 3.360 2.165 2.021 2.207 . 0 0 "[ . 1 . 2]" 1
931 1 45 ILE MG 1 62 LEU HA 6.000 . 6.000 3.207 2.998 3.448 . 0 0 "[ . 1 . 2]" 1
932 1 45 ILE MD 1 62 LEU QB 5.600 . 5.600 2.149 1.921 3.012 . 0 0 "[ . 1 . 2]" 1
933 1 45 ILE MD 1 62 LEU QD 5.480 . 5.480 1.921 1.747 2.078 0.053 17 0 "[ . 1 . 2]" 1
934 1 46 ASP QB 1 63 ILE MG 6.700 . 6.700 2.893 2.268 3.812 . 0 0 "[ . 1 . 2]" 1
935 1 46 ASP HA 1 65 LYS QE 5.000 . 5.000 3.931 2.159 4.458 . 0 0 "[ . 1 . 2]" 1
936 1 46 ASP HA 1 65 LYS QG 5.000 . 5.000 3.409 2.270 4.458 . 0 0 "[ . 1 . 2]" 1
937 1 46 ASP QB 1 65 LYS HA 3.808 . 3.808 2.103 1.932 2.490 . 0 0 "[ . 1 . 2]" 1
938 1 46 ASP QB 1 65 LYS QG 5.000 . 5.000 2.732 1.859 3.718 . 0 0 "[ . 1 . 2]" 1
939 1 46 ASP QB 1 47 LYS QG 5.600 . 5.600 3.795 2.918 4.466 . 0 0 "[ . 1 . 2]" 1
940 1 47 LYS QB 1 63 ILE MD 6.000 . 6.000 3.830 2.178 4.469 . 0 0 "[ . 1 . 2]" 1
941 1 47 LYS QB 1 63 ILE MG 6.000 . 6.000 3.873 3.354 4.229 . 0 0 "[ . 1 . 2]" 1
942 1 47 LYS HA 1 108 ILE MG 4.080 . 4.080 3.403 3.398 3.408 . 0 0 "[ . 1 . 2]" 1
943 1 47 LYS QB 1 63 ILE HB 3.808 . 3.808 2.986 2.446 3.417 . 0 0 "[ . 1 . 2]" 1
944 1 48 LEU HA 1 63 ILE MD 6.000 . 6.000 4.336 3.044 5.002 . 0 0 "[ . 1 . 2]" 1
945 1 49 GLN QB 1 63 ILE MD 6.000 . 6.000 3.189 2.109 4.154 . 0 0 "[ . 1 . 2]" 1
946 1 49 GLN QG 1 63 ILE MD 6.000 . 6.000 3.088 1.821 4.344 . 0 0 "[ . 1 . 2]" 1
947 1 50 ALA HA 1 60 LEU QD 4.560 . 4.560 2.509 1.940 3.386 . 0 0 "[ . 1 . 2]" 1
948 1 50 ALA MB 1 101 LYS QD 3.808 . 3.808 2.000 1.684 2.826 0.116 5 0 "[ . 1 . 2]" 1
949 1 50 ALA MB 1 101 LYS QE 3.808 . 3.808 2.643 1.742 2.832 0.058 2 0 "[ . 1 . 2]" 1
950 1 50 ALA HA 1 51 THR MG 6.000 . 6.000 3.922 3.546 4.150 . 0 0 "[ . 1 . 2]" 1
951 1 51 THR HA 1 52 PRO QD 2.800 . 2.800 2.091 2.056 2.134 . 0 0 "[ . 1 . 2]" 1
952 1 51 THR HB 1 55 SER QB 3.808 . 3.808 2.746 2.428 3.278 . 0 0 "[ . 1 . 2]" 1
953 1 51 THR HB 1 52 PRO QD 3.808 . 3.808 2.328 2.049 2.599 . 0 0 "[ . 1 . 2]" 1
954 1 51 THR MG 1 55 SER QB 6.000 . 6.000 3.452 3.082 3.776 . 0 0 "[ . 1 . 2]" 1
955 1 51 THR MG 1 58 MET HA 6.000 . 6.000 3.231 2.878 3.686 . 0 0 "[ . 1 . 2]" 1
956 1 51 THR MG 1 59 MET HA 6.000 . 6.000 3.852 3.630 4.103 . 0 0 "[ . 1 . 2]" 1
957 1 51 THR MG 1 59 MET QG 4.560 . 4.560 2.884 2.448 3.386 . 0 0 "[ . 1 . 2]" 1
958 1 51 THR MG 1 59 MET QB 4.560 . 4.560 2.038 1.819 2.379 . 0 0 "[ . 1 . 2]" 1
959 1 52 PRO HA 1 53 ALA MB 6.000 . 6.000 4.026 3.976 4.087 . 0 0 "[ . 1 . 2]" 1
960 1 51 THR MG 1 52 PRO QD 6.000 . 6.000 2.795 2.464 3.264 . 0 0 "[ . 1 . 2]" 1
961 1 53 ALA HA 1 94 ARG QD 5.600 . 5.600 4.557 3.899 4.991 . 0 0 "[ . 1 . 2]" 1
962 1 53 ALA MB 1 94 ARG QD 6.000 . 6.000 4.450 4.412 4.454 . 0 0 "[ . 1 . 2]" 1
963 1 52 PRO QG 1 55 SER QB 5.600 . 5.600 2.139 1.959 2.650 . 0 0 "[ . 1 . 2]" 1
964 1 58 MET QB 1 91 PHE QB 5.600 . 5.600 2.359 1.804 3.197 . 0 0 "[ . 1 . 2]" 1
965 1 59 MET HA 1 90 SER HA 2.800 . 2.800 2.326 2.095 2.716 . 0 0 "[ . 1 . 2]" 1
966 1 59 MET HA 1 90 SER QB 5.000 . 5.000 4.353 4.004 4.462 . 0 0 "[ . 1 . 2]" 1
967 1 50 ALA HA 1 60 LEU HA 2.800 . 2.800 2.128 1.971 2.384 . 0 0 "[ . 1 . 2]" 1
968 1 50 ALA HA 1 60 LEU QB 5.600 . 5.600 3.900 3.525 4.412 . 0 0 "[ . 1 . 2]" 1
969 1 50 ALA MB 1 60 LEU HA 4.080 . 4.080 3.177 2.698 3.400 . 0 0 "[ . 1 . 2]" 1
970 1 50 ALA MB 1 60 LEU QD 5.470 . 5.470 1.920 1.665 2.532 0.135 20 0 "[ . 1 . 2]" 1
971 1 60 LEU QD 1 101 LYS HA 6.000 . 6.000 2.486 2.137 3.074 . 0 0 "[ . 1 . 2]" 1
972 1 61 ARG HA 1 62 LEU QD 6.000 . 6.000 3.897 3.718 4.453 . 0 0 "[ . 1 . 2]" 1
973 1 61 ARG QB 1 63 ILE MD 6.000 . 6.000 3.601 2.902 4.151 . 0 0 "[ . 1 . 2]" 1
974 1 61 ARG HA 1 88 MET HA 2.800 . 2.800 2.242 1.992 2.530 . 0 0 "[ . 1 . 2]" 1
975 1 61 ARG HA 1 88 MET QG 5.000 . 5.000 3.588 3.249 3.804 . 0 0 "[ . 1 . 2]" 1
976 1 61 ARG QB 1 88 MET HA 5.000 . 5.000 3.305 2.520 4.278 . 0 0 "[ . 1 . 2]" 1
977 1 61 ARG QG 1 88 MET QG 5.000 . 5.000 2.756 1.886 3.910 . 0 0 "[ . 1 . 2]" 1
978 1 48 LEU HA 1 62 LEU HA 2.800 . 2.800 2.510 2.224 2.774 . 0 0 "[ . 1 . 2]" 1
979 1 62 LEU HA 1 62 LEU HG 3.400 . 3.400 2.401 2.283 2.586 . 0 0 "[ . 1 . 2]" 1
980 1 45 ILE MD 1 62 LEU HA 6.000 . 6.000 4.110 3.848 4.465 . 0 0 "[ . 1 . 2]" 1
981 1 62 LEU HA 1 63 ILE MD 6.000 . 6.000 3.445 2.513 4.207 . 0 0 "[ . 1 . 2]" 1
982 1 62 LEU QB 1 87 HIS QB 5.000 . 5.000 2.584 1.944 2.980 . 0 0 "[ . 1 . 2]" 1
983 1 48 LEU HA 1 62 LEU HG 5.000 . 5.000 2.916 2.346 4.195 . 0 0 "[ . 1 . 2]" 1
984 1 45 ILE MD 1 62 LEU HG 6.000 . 6.000 3.018 1.960 3.666 . 0 0 "[ . 1 . 2]" 1
985 1 48 LEU HA 1 62 LEU QD 5.600 . 5.600 2.579 2.114 2.977 . 0 0 "[ . 1 . 2]" 1
986 1 47 LYS QG 1 63 ILE HB 5.600 . 5.600 4.175 1.976 4.995 . 0 0 "[ . 1 . 2]" 1
987 1 47 LYS QE 1 63 ILE MG 6.700 . 6.700 4.239 3.227 4.972 . 0 0 "[ . 1 . 2]" 1
988 1 47 LYS QE 1 63 ILE MD 6.700 . 6.700 4.137 1.939 4.973 . 0 0 "[ . 1 . 2]" 1
989 1 61 ARG QD 1 63 ILE MD 4.560 . 4.560 2.935 1.930 3.390 . 0 0 "[ . 1 . 2]" 1
990 1 63 ILE MG 1 84 PRO QB 6.000 . 6.000 3.126 2.603 3.674 . 0 0 "[ . 1 . 2]" 1
991 1 63 ILE HA 1 63 ILE MG 3.360 . 3.360 2.296 2.128 2.373 . 0 0 "[ . 1 . 2]" 1
992 1 63 ILE HA 1 86 ARG QG 5.000 . 5.000 2.607 1.984 4.421 . 0 0 "[ . 1 . 2]" 1
993 1 63 ILE HA 1 86 ARG QD 5.600 . 5.600 3.922 3.489 4.714 . 0 0 "[ . 1 . 2]" 1
994 1 63 ILE MG 1 86 ARG QD 6.700 . 6.700 3.442 2.691 4.971 . 0 0 "[ . 1 . 2]" 1
995 1 63 ILE MG 1 86 ARG QG 6.000 . 6.000 2.767 1.892 4.178 . 0 0 "[ . 1 . 2]" 1
996 1 63 ILE MD 1 86 ARG QB 6.700 . 6.700 3.325 1.948 4.971 . 0 0 "[ . 1 . 2]" 1
997 1 63 ILE MD 1 86 ARG QG 6.700 . 6.700 3.017 1.812 4.974 . 0 0 "[ . 1 . 2]" 1
998 1 45 ILE MD 1 64 GLY QA 4.560 . 4.560 2.920 2.706 3.119 . 0 0 "[ . 1 . 2]" 1
999 1 45 ILE MG 1 64 GLY QA 6.700 . 6.700 3.945 3.492 4.293 . 0 0 "[ . 1 . 2]" 1
1000 1 45 ILE HA 1 64 GLY QA 3.808 . 3.808 2.443 1.987 3.095 . 0 0 "[ . 1 . 2]" 1
1001 1 66 VAL HA 1 84 PRO QB 5.000 . 5.000 3.168 1.986 4.458 . 0 0 "[ . 1 . 2]" 1
1002 1 66 VAL HA 1 84 PRO HA 5.000 . 5.000 3.334 2.242 4.083 . 0 0 "[ . 1 . 2]" 1
1003 1 66 VAL QG 1 84 PRO QD 6.000 . 6.000 2.870 1.804 3.773 . 0 0 "[ . 1 . 2]" 1
1004 1 66 VAL QG 1 84 PRO HA 6.000 . 6.000 3.704 2.868 4.454 . 0 0 "[ . 1 . 2]" 1
1005 1 63 ILE MG 1 84 PRO HA 6.000 . 6.000 4.963 4.567 5.008 . 0 0 "[ . 1 . 2]" 1
1006 1 66 VAL QG 1 84 PRO QB 6.700 . 6.700 2.781 1.816 4.264 . 0 0 "[ . 1 . 2]" 1
1007 1 66 VAL HA 1 84 PRO QG 5.600 . 5.600 3.942 2.274 4.992 . 0 0 "[ . 1 . 2]" 1
1008 1 63 ILE MG 1 84 PRO QG 6.700 . 6.700 4.150 2.773 4.975 . 0 0 "[ . 1 . 2]" 1
1009 1 66 VAL QG 1 84 PRO QG 6.700 . 6.700 2.772 1.702 4.427 0.098 17 0 "[ . 1 . 2]" 1
1010 1 63 ILE HA 1 86 ARG HA 3.400 . 3.400 2.566 2.242 3.061 . 0 0 "[ . 1 . 2]" 1
1011 1 63 ILE MD 1 86 ARG HA 6.000 . 6.000 4.163 3.414 5.005 . 0 0 "[ . 1 . 2]" 1
1012 1 63 ILE MG 1 86 ARG HA 6.000 . 6.000 3.925 3.527 4.450 . 0 0 "[ . 1 . 2]" 1
1013 1 62 LEU QD 1 87 HIS QB 6.000 . 6.000 3.486 2.665 3.868 . 0 0 "[ . 1 . 2]" 1
1014 1 40 VAL MG2 1 87 HIS QB 6.000 . 6.000 4.005 3.740 4.235 . 0 0 "[ . 1 . 2]" 1
1015 1 61 ARG QG 1 88 MET HA 5.000 . 5.000 2.744 2.054 4.455 . 0 0 "[ . 1 . 2]" 1
1016 1 61 ARG HA 1 88 MET QB 5.000 . 5.000 4.121 3.774 4.420 . 0 0 "[ . 1 . 2]" 1
1017 1 7 ALA MB 1 89 PHE HA 6.000 . 6.000 4.832 4.595 4.953 . 0 0 "[ . 1 . 2]" 1
1018 1 62 LEU QD 1 89 PHE QD 7.500 . 7.500 3.335 2.900 3.611 . 0 0 "[ . 1 . 2]" 1
1019 1 59 MET QG 1 90 SER HA 5.000 . 5.000 2.044 1.963 2.731 . 0 0 "[ . 1 . 2]" 1
1020 1 59 MET QB 1 90 SER HA 5.000 . 5.000 2.916 2.503 3.226 . 0 0 "[ . 1 . 2]" 1
1021 1 59 MET QG 1 90 SER QB 5.000 . 5.000 3.011 2.358 3.770 . 0 0 "[ . 1 . 2]" 1
1022 1 59 MET ME 1 90 SER QB 6.000 . 6.000 2.776 1.965 3.804 . 0 0 "[ . 1 . 2]" 1
1023 1 7 ALA HA 1 91 PHE HA 3.400 . 3.400 2.862 2.733 2.988 . 0 0 "[ . 1 . 2]" 1
1024 1 7 ALA MB 1 91 PHE HA 6.000 . 6.000 3.794 3.536 3.940 . 0 0 "[ . 1 . 2]" 1
1025 1 8 ILE MD 1 91 PHE HA 6.000 . 6.000 3.754 3.585 3.931 . 0 0 "[ . 1 . 2]" 1
1026 1 58 MET QG 1 91 PHE QD 7.000 . 7.000 4.968 3.911 5.563 . 0 0 "[ . 1 . 2]" 1
1027 1 8 ILE MD 1 92 ASN QB 6.700 . 6.700 3.573 2.698 4.194 . 0 0 "[ . 1 . 2]" 1
1028 1 94 ARG HA 1 94 ARG QD 5.000 . 5.000 3.917 2.583 4.263 . 0 0 "[ . 1 . 2]" 1
1029 1 94 ARG HA 1 97 MET QB 5.600 . 5.600 3.169 2.894 3.688 . 0 0 "[ . 1 . 2]" 1
1030 1 95 THR HA 1 98 ASP QB 3.808 . 3.808 2.714 2.581 2.893 . 0 0 "[ . 1 . 2]" 1
1031 1 95 THR HA 1 95 THR MG 3.360 . 3.360 2.436 2.234 2.812 . 0 0 "[ . 1 . 2]" 1
1032 1 95 THR HB 1 96 VAL MG2 6.000 . 6.000 3.178 2.853 3.703 . 0 0 "[ . 1 . 2]" 1
1033 1 95 THR HB 1 96 VAL HA 5.000 . 5.000 4.266 3.911 4.910 . 0 0 "[ . 1 . 2]" 1
1034 1 93 ASN QB 1 96 VAL HB 5.000 . 5.000 1.997 1.918 2.178 . 0 0 "[ . 1 . 2]" 1
1035 1 96 VAL HA 1 96 VAL MG2 3.360 . 3.360 2.408 2.306 2.455 . 0 0 "[ . 1 . 2]" 1
1036 1 96 VAL HA 1 99 ASN QB 3.808 . 3.808 2.620 2.451 2.785 . 0 0 "[ . 1 . 2]" 1
1037 1 93 ASN QB 1 96 VAL MG2 3.400 . 3.400 1.855 1.720 1.925 0.080 3 0 "[ . 1 . 2]" 1
1038 1 97 MET HA 1 100 ILE MG 6.000 . 6.000 4.511 4.375 4.682 . 0 0 "[ . 1 . 2]" 1
1039 1 98 ASP HA 1 101 LYS QB 3.400 . 3.400 2.583 2.358 3.049 . 0 0 "[ . 1 . 2]" 1
1040 1 98 ASP HA 1 101 LYS QD 5.000 . 5.000 3.948 3.036 4.350 . 0 0 "[ . 1 . 2]" 1
1041 1 98 ASP HA 1 101 LYS QE 3.808 . 3.808 2.780 1.890 3.395 . 0 0 "[ . 1 . 2]" 1
1042 1 99 ASN HA 1 102 MET QB 5.000 . 5.000 3.389 3.062 3.705 . 0 0 "[ . 1 . 2]" 1
1043 1 99 ASN HA 1 102 MET ME 6.000 . 6.000 4.300 2.236 4.999 . 0 0 "[ . 1 . 2]" 1
1044 1 5 GLY QA 1 100 ILE MD 5.500 . 5.500 2.460 2.373 2.615 . 0 0 "[ . 1 . 2]" 1
1045 1 16 ILE MD 1 100 ILE MD 6.000 . 6.000 4.162 4.143 4.169 . 0 0 "[ . 1 . 2]" 1
1046 1 16 ILE HB 1 100 ILE MD 6.000 . 6.000 4.106 3.997 4.203 . 0 0 "[ . 1 . 2]" 1
1047 1 17 ALA HA 1 100 ILE MD 6.000 . 6.000 4.336 3.662 4.648 . 0 0 "[ . 1 . 2]" 1
1048 1 60 LEU QD 1 100 ILE HB 6.700 . 6.700 3.422 2.782 4.444 . 0 0 "[ . 1 . 2]" 1
1049 1 100 ILE HA 1 100 ILE MD 3.360 . 3.360 2.040 1.975 2.242 . 0 0 "[ . 1 . 2]" 1
1050 1 100 ILE HA 1 103 THR HB 3.400 . 3.400 3.034 2.423 3.414 0.014 5 0 "[ . 1 . 2]" 1
1051 1 101 LYS HA 1 104 LEU QB 3.400 . 3.400 2.748 2.381 3.046 . 0 0 "[ . 1 . 2]" 1
1052 1 101 LYS HA 1 104 LEU QD 4.560 . 4.560 2.778 1.883 3.299 . 0 0 "[ . 1 . 2]" 1
1053 1 102 MET HA 1 105 GLN QB 3.800 . 3.800 2.685 2.410 3.105 . 0 0 "[ . 1 . 2]" 1
1054 1 101 LYS QG 1 102 MET HA 5.000 . 5.000 3.600 3.030 3.916 . 0 0 "[ . 1 . 2]" 1
1055 1 102 MET HA 1 105 GLN QG 5.000 . 5.000 3.357 2.452 4.063 . 0 0 "[ . 1 . 2]" 1
1056 1 99 ASN HA 1 102 MET QG 5.000 . 5.000 4.224 3.545 4.466 . 0 0 "[ . 1 . 2]" 1
1057 1 103 THR HA 1 106 GLN QB 5.000 . 5.000 3.073 2.750 3.702 . 0 0 "[ . 1 . 2]" 1
1058 1 3 HIS HA 1 103 THR MG 6.000 . 6.000 2.270 1.980 2.997 . 0 0 "[ . 1 . 2]" 1
1059 1 100 ILE MG 1 103 THR HB 6.000 . 6.000 4.384 3.566 4.981 . 0 0 "[ . 1 . 2]" 1
1060 1 100 ILE MD 1 103 THR HB 6.000 . 6.000 3.988 3.637 4.338 . 0 0 "[ . 1 . 2]" 1
1061 1 100 ILE HA 1 103 THR MG 6.000 . 6.000 2.716 1.868 4.257 . 0 0 "[ . 1 . 2]" 1
1062 1 104 LEU HA 1 107 ILE HB 3.400 . 3.400 3.179 2.983 3.311 . 0 0 "[ . 1 . 2]" 1
1063 1 104 LEU HA 1 107 ILE MD 4.080 . 4.080 2.220 1.932 2.396 . 0 0 "[ . 1 . 2]" 1
1064 1 104 LEU HA 1 107 ILE MG 6.000 . 6.000 4.409 4.248 4.524 . 0 0 "[ . 1 . 2]" 1
1065 1 104 LEU QD 1 107 ILE HB 6.700 . 6.700 3.740 3.356 3.986 . 0 0 "[ . 1 . 2]" 1
1066 1 62 LEU QD 1 104 LEU QD 6.000 . 6.000 2.135 1.862 2.549 . 0 0 "[ . 1 . 2]" 1
1067 1 27 LEU QD 1 104 LEU QD 6.000 . 6.000 2.097 1.769 3.311 0.031 3 0 "[ . 1 . 2]" 1
1068 1 48 LEU QD 1 105 GLN QB 6.750 . 6.750 3.020 1.795 3.906 0.005 10 0 "[ . 1 . 2]" 1
1069 1 105 GLN HA 1 108 ILE HB 3.400 . 3.400 3.408 3.393 3.430 0.030 15 0 "[ . 1 . 2]" 1
1070 1 105 GLN HA 1 108 ILE MD 4.080 . 4.080 3.410 3.407 3.417 . 0 0 "[ . 1 . 2]" 1
1071 1 105 GLN HA 1 108 ILE MG 6.000 . 6.000 4.222 4.205 4.249 . 0 0 "[ . 1 . 2]" 1
1072 1 105 GLN HA 1 108 ILE QG 5.000 . 5.000 1.896 1.882 1.915 . 0 0 "[ . 1 . 2]" 1
1073 1 103 THR HA 1 106 GLN QG 5.000 . 5.000 2.897 1.955 3.689 . 0 0 "[ . 1 . 2]" 1
1074 1 106 GLN HA 1 106 GLN QG 3.808 . 3.808 2.673 2.370 3.331 . 0 0 "[ . 1 . 2]" 1
1075 1 20 GLU QG 1 107 ILE MD 6.000 . 6.000 3.774 2.673 4.456 . 0 0 "[ . 1 . 2]" 1
1076 1 25 ALA MB 1 107 ILE MG 4.050 . 4.050 2.783 2.657 2.814 . 0 0 "[ . 1 . 2]" 1
1077 1 25 ALA MB 1 107 ILE MD 4.900 . 4.900 3.381 3.228 3.406 . 0 0 "[ . 1 . 2]" 1
1078 1 103 THR MG 1 107 ILE QG 6.700 . 6.700 3.765 3.264 4.317 . 0 0 "[ . 1 . 2]" 1
1079 1 107 ILE HA 1 110 ARG QG 5.000 . 5.000 2.780 1.955 3.760 . 0 0 "[ . 1 . 2]" 1
1080 1 107 ILE MG 1 110 ARG QD 6.700 . 6.700 3.555 2.512 4.974 . 0 0 "[ . 1 . 2]" 1
1081 1 45 ILE HB 1 108 ILE MG 6.000 . 6.000 4.829 4.372 4.998 . 0 0 "[ . 1 . 2]" 1
1082 1 48 LEU HA 1 108 ILE MD 6.000 . 6.000 5.003 4.997 5.013 . 0 0 "[ . 1 . 2]" 1
1083 1 104 LEU QB 1 108 ILE MD 5.000 . 5.000 3.448 3.316 3.720 . 0 0 "[ . 1 . 2]" 1
1084 1 107 ILE MG 1 108 ILE HA 6.000 4.400 6.000 3.638 3.632 3.644 0.768 1 20 [+******************-] 1
1085 1 108 ILE HA 1 108 ILE MG 3.360 . 3.360 2.184 2.167 2.214 . 0 0 "[ . 1 . 2]" 1
1086 1 108 ILE HA 1 108 ILE MD 4.080 . 4.080 2.033 1.953 2.138 . 0 0 "[ . 1 . 2]" 1
1087 1 108 ILE HA 1 111 TYR QB 5.000 . 5.000 2.886 2.737 3.103 . 0 0 "[ . 1 . 2]" 1
1088 1 108 ILE MG 1 112 LYS QD 6.700 . 6.700 3.182 1.855 3.909 . 0 0 "[ . 1 . 2]" 1
1089 1 109 SER HA 1 112 LYS QB 3.808 . 3.808 2.782 2.495 3.054 . 0 0 "[ . 1 . 2]" 1
1090 1 108 ILE MG 1 109 SER HA 6.000 . 6.000 3.697 3.678 3.715 . 0 0 "[ . 1 . 2]" 1
1091 1 109 SER HA 1 112 LYS QD 5.600 . 5.600 3.432 1.986 4.774 . 0 0 "[ . 1 . 2]" 1
1092 1 109 SER HA 1 112 LYS QG 5.000 . 5.000 3.102 2.449 3.950 . 0 0 "[ . 1 . 2]" 1
1093 1 107 ILE HA 1 110 ARG QB 5.600 . 5.600 2.730 2.331 3.113 . 0 0 "[ . 1 . 2]" 1
1094 1 107 ILE HA 1 110 ARG QD 5.000 . 5.000 2.717 2.203 4.171 . 0 0 "[ . 1 . 2]" 1
1095 1 110 ARG HA 1 110 ARG QG 3.400 . 3.400 2.539 2.343 3.038 . 0 0 "[ . 1 . 2]" 1
1096 1 110 ARG HA 1 113 ASP QB 5.000 . 5.000 2.986 2.795 3.219 . 0 0 "[ . 1 . 2]" 1
1097 1 111 TYR HA 1 114 ALA MB 6.000 . 6.000 3.172 2.954 3.424 . 0 0 "[ . 1 . 2]" 1
1098 1 108 ILE MG 1 112 LYS QE 4.590 . 4.590 2.704 1.830 3.409 . 0 0 "[ . 1 . 2]" 1
1099 1 112 LYS HA 1 112 LYS QG 3.808 . 3.808 2.595 2.347 3.019 . 0 0 "[ . 1 . 2]" 1
1100 1 112 LYS HA 1 115 ASP QB 5.600 . 5.600 3.744 3.013 4.992 . 0 0 "[ . 1 . 2]" 1
1101 1 114 ALA MB 1 115 ASP HA 6.000 . 6.000 4.095 3.872 4.419 . 0 0 "[ . 1 . 2]" 1
1102 1 3 HIS HE1 1 103 THR MG 6.000 . 6.000 4.635 3.111 4.998 . 0 0 "[ . 1 . 2]" 1
1103 1 9 PHE QD 1 29 TRP HE3 5.600 . 5.600 2.382 2.351 2.403 . 0 0 "[ . 1 . 2]" 1
1104 1 9 PHE QD 1 29 TRP HZ2 5.600 . 5.600 5.030 5.026 5.035 . 0 0 "[ . 1 . 2]" 1
1105 1 9 PHE QD 1 29 TRP HZ3 5.600 . 5.600 2.240 2.210 2.277 . 0 0 "[ . 1 . 2]" 1
1106 1 9 PHE QD 1 89 PHE QD 6.250 . 6.250 3.145 2.966 3.459 . 0 0 "[ . 1 . 2]" 1
1107 1 9 PHE QD 1 89 PHE QE 6.250 . 6.250 3.091 2.947 3.341 . 0 0 "[ . 1 . 2]" 1
1108 1 9 PHE QE 1 38 HIS HE1 5.600 . 5.600 2.817 2.597 2.937 . 0 0 "[ . 1 . 2]" 1
1109 1 9 PHE HZ 1 38 HIS HE1 3.400 . 3.400 3.366 3.260 3.403 0.003 7 0 "[ . 1 . 2]" 1
1110 1 7 ALA MB 1 29 TRP HD1 4.080 . 4.080 3.413 3.408 3.421 . 0 0 "[ . 1 . 2]" 1
1111 1 12 VAL QG 1 29 TRP HZ2 4.560 . 4.560 2.826 2.674 3.103 . 0 0 "[ . 1 . 2]" 1
1112 1 12 VAL QG 1 29 TRP HH2 4.560 . 4.560 2.703 2.573 2.751 . 0 0 "[ . 1 . 2]" 1
1113 1 12 VAL HB 1 29 TRP HH2 5.000 . 5.000 1.786 1.784 1.788 0.016 14 0 "[ . 1 . 2]" 1
1114 1 12 VAL HB 1 29 TRP HZ2 5.000 . 5.000 3.174 3.029 3.322 . 0 0 "[ . 1 . 2]" 1
1115 1 29 TRP HH2 1 31 SER QB 5.000 . 5.000 4.469 4.466 4.476 . 0 0 "[ . 1 . 2]" 1
1116 1 29 TRP HE3 1 37 VAL HA 5.000 . 5.000 4.981 4.921 5.006 0.006 14 0 "[ . 1 . 2]" 1
1117 1 38 HIS HE1 1 87 HIS HE1 2.800 . 2.800 2.808 2.806 2.811 0.011 3 0 "[ . 1 . 2]" 1
1118 1 38 HIS HD2 1 40 VAL MG2 4.080 . 4.080 2.039 1.927 2.311 . 0 0 "[ . 1 . 2]" 1
1119 1 40 VAL QG 1 87 HIS HD2 6.000 . 6.000 4.166 3.730 4.423 . 0 0 "[ . 1 . 2]" 1
1120 1 86 ARG HA 1 87 HIS HD2 5.000 . 5.000 3.628 3.134 4.016 . 0 0 "[ . 1 . 2]" 1
1121 1 40 VAL QG 1 87 HIS HE1 4.560 . 4.560 3.385 3.383 3.386 . 0 0 "[ . 1 . 2]" 1
1122 1 16 ILE MD 1 89 PHE QD 6.700 . 6.700 2.898 2.660 3.034 . 0 0 "[ . 1 . 2]" 1
1123 1 27 LEU MD2 1 89 PHE QE 6.700 . 6.700 3.809 3.010 4.977 . 0 0 "[ . 1 . 2]" 1
1124 1 16 ILE MD 1 91 PHE HZ 6.000 . 6.000 3.392 2.937 3.682 . 0 0 "[ . 1 . 2]" 1
1125 1 59 MET HA 1 91 PHE QD 5.600 . 5.600 2.768 2.485 2.982 . 0 0 "[ . 1 . 2]" 1
1126 1 60 LEU QB 1 91 PHE QE 5.600 . 5.600 1.943 1.833 2.150 . 0 0 "[ . 1 . 2]" 1
1127 1 60 LEU QD 1 91 PHE HZ 6.000 . 6.000 3.388 2.750 4.456 . 0 0 "[ . 1 . 2]" 1
1128 1 90 SER HA 1 91 PHE QD 5.600 . 5.600 3.721 3.293 3.882 . 0 0 "[ . 1 . 2]" 1
1129 1 91 PHE HZ 1 100 ILE MG 6.000 . 6.000 2.386 1.993 2.755 . 0 0 "[ . 1 . 2]" 1
1130 1 91 PHE QD 1 96 VAL MG1 4.560 . 4.560 2.370 1.979 2.950 . 0 0 "[ . 1 . 2]" 1
1131 1 91 PHE QD 1 96 VAL MG2 6.700 . 6.700 4.231 3.968 4.480 . 0 0 "[ . 1 . 2]" 1
1132 1 91 PHE QE 1 96 VAL MG1 6.700 . 6.700 2.178 1.933 2.664 . 0 0 "[ . 1 . 2]" 1
1133 1 43 SER HA 1 111 TYR QD 5.600 . 5.600 3.597 3.366 3.690 . 0 0 "[ . 1 . 2]" 1
1134 1 43 SER HA 1 111 TYR QE 5.600 . 5.600 2.818 2.697 2.978 . 0 0 "[ . 1 . 2]" 1
1135 1 107 ILE MG 1 111 TYR QE 4.560 . 4.560 1.893 1.819 2.116 . 0 0 "[ . 1 . 2]" 1
1136 1 108 ILE HA 1 111 TYR QD 5.600 . 5.600 2.546 1.983 3.704 . 0 0 "[ . 1 . 2]" 1
1137 1 25 ALA MB 1 111 TYR QE 6.700 . 6.700 3.534 3.153 4.339 . 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 20
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.062
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0015
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.003 0.002 14 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.003 0.002 14 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 19 ASN O 1 26 GLU H 2.000 . 2.500 1.799 1.621 2.137 . 0 0 "[ . 1 . 2]" 2
2 1 19 ASN O 1 26 GLU N 3.000 2.300 3.500 2.766 2.581 3.112 . 0 0 "[ . 1 . 2]" 2
3 1 27 LEU H 1 40 VAL O 2.000 . 2.500 1.698 1.661 1.813 . 0 0 "[ . 1 . 2]" 2
4 1 27 LEU N 1 40 VAL O 3.000 2.300 3.500 2.624 2.589 2.692 . 0 0 "[ . 1 . 2]" 2
5 1 17 ALA O 1 28 THR H 2.000 . 2.500 1.805 1.707 1.849 . 0 0 "[ . 1 . 2]" 2
6 1 17 ALA O 1 28 THR N 3.000 2.300 3.500 2.586 2.567 2.631 . 0 0 "[ . 1 . 2]" 2
7 1 29 TRP H 1 38 HIS O 2.000 . 2.500 1.614 1.594 1.635 . 0 0 "[ . 1 . 2]" 2
8 1 29 TRP N 1 38 HIS O 3.000 2.300 3.500 2.465 2.444 2.492 . 0 0 "[ . 1 . 2]" 2
9 1 15 ILE O 1 30 ARG H 2.000 . 2.500 1.772 1.726 1.803 . 0 0 "[ . 1 . 2]" 2
10 1 15 ILE O 1 30 ARG N 3.000 2.300 3.500 2.744 2.698 2.777 . 0 0 "[ . 1 . 2]" 2
11 1 5 GLY O 1 16 ILE H 2.000 . 2.500 1.886 1.728 2.013 . 0 0 "[ . 1 . 2]" 2
12 1 5 GLY O 1 16 ILE N 3.000 2.300 3.500 2.745 2.592 2.881 . 0 0 "[ . 1 . 2]" 2
13 1 17 ALA H 1 28 THR O 2.000 . 2.500 1.715 1.680 1.770 . 0 0 "[ . 1 . 2]" 2
14 1 17 ALA N 1 28 THR O 3.000 2.300 3.500 2.627 2.578 2.693 . 0 0 "[ . 1 . 2]" 2
15 1 60 LEU H 1 89 PHE O 2.000 . 2.500 2.249 1.883 2.502 0.002 14 0 "[ . 1 . 2]" 2
16 1 60 LEU N 1 89 PHE O 3.000 2.300 3.500 2.965 2.630 3.251 . 0 0 "[ . 1 . 2]" 2
17 1 62 LEU H 1 87 HIS O 2.000 . 2.500 1.807 1.676 1.979 . 0 0 "[ . 1 . 2]" 2
18 1 62 LEU N 1 87 HIS O 3.000 2.300 3.500 2.749 2.616 2.923 . 0 0 "[ . 1 . 2]" 2
19 1 47 LYS O 1 63 ILE H 2.000 . 2.500 2.116 1.838 2.285 . 0 0 "[ . 1 . 2]" 2
20 1 47 LYS O 1 63 ILE N 3.000 2.300 3.500 3.033 2.765 3.219 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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