NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557317 |
2lya   |
18715 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lya
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 815
_Distance_constraint_stats_list.Viol_count 536
_Distance_constraint_stats_list.Viol_total 259.592
_Distance_constraint_stats_list.Viol_max 1.886
_Distance_constraint_stats_list.Viol_rms 0.0347
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_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 6 VAL 0.009 0.002 7 0 "[ . 1 . 2]"
1 7 LEU 0.007 0.001 1 0 "[ . 1 . 2]"
1 8 SER 3.645 1.836 8 1 "[ . + 1 . 2]"
1 9 GLY 0.039 0.008 17 0 "[ . 1 . 2]"
1 10 GLY 0.025 0.008 17 0 "[ . 1 . 2]"
1 11 GLU 6.474 1.836 8 1 "[ . + 1 . 2]"
1 12 LEU 0.020 0.003 17 0 "[ . 1 . 2]"
1 13 ASP 0.007 0.002 6 0 "[ . 1 . 2]"
1 14 LYS 0.004 0.002 6 0 "[ . 1 . 2]"
1 15 TRP 0.022 0.001 17 0 "[ . 1 . 2]"
1 16 GLU 0.010 0.001 18 0 "[ . 1 . 2]"
1 17 LYS 0.010 0.002 20 0 "[ . 1 . 2]"
1 18 ILE 0.005 0.002 20 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.006 0.001 5 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PRO 0.002 0.001 9 0 "[ . 1 . 2]"
1 23 GLY 0.001 0.001 9 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.001 0.001 1 0 "[ . 1 . 2]"
1 27 GLN 0.005 0.001 5 0 "[ . 1 . 2]"
1 28 TYR 0.022 0.001 6 0 "[ . 1 . 2]"
1 29 LYS 0.016 0.002 6 0 "[ . 1 . 2]"
1 30 LEU 0.009 0.002 20 0 "[ . 1 . 2]"
1 31 LYS 0.004 0.002 17 0 "[ . 1 . 2]"
1 32 HIS 0.012 0.002 6 0 "[ . 1 . 2]"
1 33 ILE 0.012 0.002 20 0 "[ . 1 . 2]"
1 34 VAL 0.004 0.002 17 0 "[ . 1 . 2]"
1 35 TRP 0.010 0.002 7 0 "[ . 1 . 2]"
1 36 ALA 0.002 0.001 19 0 "[ . 1 . 2]"
1 37 SER 0.004 0.001 19 0 "[ . 1 . 2]"
1 38 ARG 0.011 0.002 7 0 "[ . 1 . 2]"
1 39 GLU 0.008 0.001 10 0 "[ . 1 . 2]"
1 40 LEU 0.018 0.002 9 0 "[ . 1 . 2]"
1 41 GLU 0.034 0.003 10 0 "[ . 1 . 2]"
1 42 ARG 0.007 0.001 10 0 "[ . 1 . 2]"
1 43 PHE 0.018 0.002 9 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.165 0.007 7 0 "[ . 1 . 2]"
1 46 ASN 0.004 0.001 19 0 "[ . 1 . 2]"
1 47 PRO 0.032 0.003 10 0 "[ . 1 . 2]"
1 48 GLY 0.007 0.002 15 0 "[ . 1 . 2]"
1 49 LEU 0.083 0.006 18 0 "[ . 1 . 2]"
1 50 LEU 0.011 0.001 20 0 "[ . 1 . 2]"
1 51 GLU 0.116 0.010 12 0 "[ . 1 . 2]"
1 52 THR 0.196 0.010 12 0 "[ . 1 . 2]"
1 53 SER 0.005 0.001 7 0 "[ . 1 . 2]"
1 54 GLU 0.060 0.005 13 0 "[ . 1 . 2]"
1 55 GLY 0.013 0.003 19 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 15 0 "[ . 1 . 2]"
1 57 ARG 0.001 0.001 19 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.003 0.001 13 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 3 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.002 0.001 13 0 "[ . 1 . 2]"
1 63 LEU 0.001 0.001 10 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 4 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.002 0.001 8 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 8 0 "[ . 1 . 2]"
1 75 ARG 0.001 0.001 8 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.006 0.001 6 0 "[ . 1 . 2]"
1 78 TYR 0.005 0.001 6 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.003 0.001 13 0 "[ . 1 . 2]"
1 81 ILE 0.001 0.000 8 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.009 0.001 13 0 "[ . 1 . 2]"
1 84 LEU 0.002 0.001 19 0 "[ . 1 . 2]"
1 85 TYR 0.003 0.001 4 0 "[ . 1 . 2]"
1 86 CYS 0.002 0.002 8 0 "[ . 1 . 2]"
1 87 VAL 0.004 0.002 8 0 "[ . 1 . 2]"
1 88 HIS 2.851 1.586 8 1 "[ . + 1 . 2]"
1 89 GLN 0.001 0.001 6 0 "[ . 1 . 2]"
1 90 ARG 0.001 0.001 6 0 "[ . 1 . 2]"
1 91 ILE 0.003 0.001 8 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.001 0.001 20 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 5.872 1.886 8 4 "[ **. + 1 . -]"
1 96 THR 0.003 0.001 6 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 5.872 1.886 8 4 "[ **. + 1 . -]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 THR 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 6 VAL H 1 6 VAL HB . . 2.700 2.570 2.498 2.700 . 0 0 "[ . 1 . 2]" 1
2 1 6 VAL H 1 7 LEU H . . 2.700 2.611 2.324 2.700 . 0 0 "[ . 1 . 2]" 1
3 1 6 VAL HA 1 51 GLU HA . . 2.700 2.670 2.460 2.702 0.002 7 0 "[ . 1 . 2]" 1
4 1 6 VAL HB 1 7 LEU H . . 2.700 2.094 1.959 2.513 . 0 0 "[ . 1 . 2]" 1
5 1 6 VAL HB 1 33 ILE MD . . 5.000 3.286 3.098 3.575 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL HB 1 33 ILE MG . . 3.300 2.676 2.098 3.122 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL MG1 1 33 ILE MG . . 3.300 2.292 1.933 2.766 . 0 0 "[ . 1 . 2]" 1
8 1 6 VAL MG1 1 50 LEU MD1 . . 5.000 3.565 3.196 4.106 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL MG1 1 84 LEU MD1 . . 5.000 2.264 1.916 3.168 . 0 0 "[ . 1 . 2]" 1
10 1 6 VAL MG1 1 84 LEU MD2 . . 3.300 2.029 1.828 2.378 . 0 0 "[ . 1 . 2]" 1
11 1 6 VAL MG1 1 88 HIS HE1 . . 3.300 3.194 2.837 3.301 0.001 17 0 "[ . 1 . 2]" 1
12 1 6 VAL MG2 1 33 ILE MG . . 3.300 2.291 1.936 2.809 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL MG2 1 50 LEU MD1 . . 5.000 3.366 2.808 3.715 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU H 1 7 LEU HG . . 3.300 2.948 2.635 3.197 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU H 1 33 ILE MD . . 5.000 3.781 3.328 4.160 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU H 1 88 HIS HE1 . . 5.000 4.814 4.017 5.001 0.001 18 0 "[ . 1 . 2]" 1
17 1 7 LEU HA 1 7 LEU MD2 . . 2.700 2.018 1.952 2.205 . 0 0 "[ . 1 . 2]" 1
18 1 7 LEU HA 1 8 SER H . . 2.700 2.166 2.139 2.241 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU QB 1 12 LEU QD . . 5.000 2.839 2.548 3.821 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU HB3 1 12 LEU H . . 3.300 3.250 3.108 3.300 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU MD1 1 11 GLU QB . . 5.000 3.157 2.972 3.275 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU MD1 1 12 LEU H . . 5.000 4.315 4.148 4.455 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU MD1 1 12 LEU HA . . 2.700 2.697 2.671 2.701 0.001 1 0 "[ . 1 . 2]" 1
24 1 7 LEU MD1 1 15 TRP H . . 5.000 3.877 3.760 4.043 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU MD1 1 15 TRP HB2 . . 2.700 1.948 1.902 2.146 . 0 0 "[ . 1 . 2]" 1
26 1 7 LEU MD1 1 15 TRP HB3 . . 2.700 2.626 2.552 2.700 0.000 17 0 "[ . 1 . 2]" 1
27 1 7 LEU MD1 1 15 TRP HD1 . . 5.000 3.575 3.447 3.797 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU MD1 1 33 ILE MD . . 3.300 1.932 1.847 2.148 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU MD2 1 8 SER H . . 5.000 3.309 2.801 3.646 . 0 0 "[ . 1 . 2]" 1
30 1 7 LEU MD2 1 11 GLU QB . . 5.000 1.923 1.805 2.319 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU MD2 1 84 LEU MD1 . . 5.000 2.643 1.855 4.620 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU MD2 1 84 LEU MD2 . . 5.000 3.491 3.104 4.241 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU MD2 1 87 VAL MG1 . . 5.000 2.264 1.864 2.694 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU MD2 1 88 HIS HE1 . . 2.700 2.034 1.912 2.374 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU HG 1 33 ILE MD . . 3.300 2.770 2.378 3.210 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU HG 1 88 HIS HE1 . . 5.000 3.798 3.008 4.286 . 0 0 "[ . 1 . 2]" 1
37 1 8 SER H 1 8 SER HB3 . . 3.300 2.366 2.207 3.109 . 0 0 "[ . 1 . 2]" 1
38 1 8 SER H 1 11 GLU H . . 5.000 3.652 3.540 3.719 . 0 0 "[ . 1 . 2]" 1
39 1 8 SER H 1 11 GLU HB2 . . 2.700 2.379 2.203 2.564 . 0 0 "[ . 1 . 2]" 1
40 1 8 SER H 1 11 GLU HG3 . . 2.700 2.698 2.669 2.702 0.002 17 0 "[ . 1 . 2]" 1
41 1 8 SER H 1 11 GLU OE1 . . 2.000 2.081 1.920 3.836 1.836 8 1 "[ . + 1 . 2]" 1
42 1 8 SER H 1 12 LEU H . . 5.000 4.208 3.934 4.385 . 0 0 "[ . 1 . 2]" 1
43 1 8 SER H 1 88 HIS HE1 . . 5.000 4.333 3.978 4.718 . 0 0 "[ . 1 . 2]" 1
44 1 8 SER HA 1 8 SER HB2 . . 2.700 2.340 2.281 2.704 0.004 17 0 "[ . 1 . 2]" 1
45 1 8 SER HA 1 8 SER HB3 . . 2.700 2.616 2.278 2.698 . 0 0 "[ . 1 . 2]" 1
46 1 8 SER HA 1 9 GLY H . . 2.700 2.676 2.601 2.700 0.000 2 0 "[ . 1 . 2]" 1
47 1 8 SER HA 1 12 LEU H . . 5.000 4.850 4.785 4.905 . 0 0 "[ . 1 . 2]" 1
48 1 8 SER HB2 1 9 GLY H . . 3.300 2.247 2.046 2.411 . 0 0 "[ . 1 . 2]" 1
49 1 8 SER HB2 1 11 GLU H . . 5.000 4.509 3.659 4.756 . 0 0 "[ . 1 . 2]" 1
50 1 8 SER HB3 1 11 GLU H . . 5.000 4.305 4.111 4.871 . 0 0 "[ . 1 . 2]" 1
51 1 8 SER N 1 11 GLU OE1 . . 3.000 3.038 2.863 4.797 1.797 8 1 "[ . + 1 . 2]" 1
52 1 9 GLY H 1 10 GLY H . . 2.900 2.878 2.810 2.908 0.008 17 0 "[ . 1 . 2]" 1
53 1 9 GLY H 1 11 GLU H . . 5.000 4.275 4.086 4.451 . 0 0 "[ . 1 . 2]" 1
54 1 9 GLY H 1 12 LEU HB2 . . 5.500 4.951 4.903 5.037 . 0 0 "[ . 1 . 2]" 1
55 1 9 GLY H 1 12 LEU HB3 . . 5.500 5.499 5.492 5.503 0.003 17 0 "[ . 1 . 2]" 1
56 1 9 GLY H 1 12 LEU QD . . 5.500 5.054 4.956 5.185 . 0 0 "[ . 1 . 2]" 1
57 1 9 GLY HA2 1 12 LEU H . . 5.000 3.722 3.640 3.798 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLY HA2 1 12 LEU HB2 . . 3.300 3.297 3.255 3.302 0.002 17 0 "[ . 1 . 2]" 1
59 1 9 GLY HA2 1 12 LEU HB3 . . 3.300 3.174 3.123 3.213 . 0 0 "[ . 1 . 2]" 1
60 1 9 GLY HA2 1 13 ASP H . . 5.000 4.464 4.283 4.654 . 0 0 "[ . 1 . 2]" 1
61 1 9 GLY HA3 1 10 GLY H . . 2.700 2.696 2.672 2.708 0.008 17 0 "[ . 1 . 2]" 1
62 1 10 GLY H 1 11 GLU H . . 2.900 2.708 2.646 2.798 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLY H 1 12 LEU H . . 5.000 4.058 3.945 4.203 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLY HA2 1 13 ASP H . . 5.000 3.683 3.570 3.798 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLY HA2 1 13 ASP QB . . 3.300 3.143 2.821 3.300 0.000 1 0 "[ . 1 . 2]" 1
66 1 11 GLU H 1 11 GLU HB2 . . 2.700 2.685 2.667 2.701 0.001 7 0 "[ . 1 . 2]" 1
67 1 11 GLU H 1 11 GLU HG3 . . 2.700 1.968 1.948 2.032 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLU H 1 12 LEU H . . 2.900 2.619 2.533 2.733 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLU H 1 13 ASP H . . 5.000 4.398 4.174 4.616 . 0 0 "[ . 1 . 2]" 1
70 1 11 GLU HA 1 13 ASP H . . 5.000 4.495 4.117 4.773 . 0 0 "[ . 1 . 2]" 1
71 1 11 GLU HA 1 14 LYS H . . 5.000 3.664 3.523 3.750 . 0 0 "[ . 1 . 2]" 1
72 1 11 GLU HA 1 14 LYS QB . . 3.300 2.989 2.769 3.244 . 0 0 "[ . 1 . 2]" 1
73 1 11 GLU HA 1 15 TRP H . . 5.000 3.965 3.835 4.085 . 0 0 "[ . 1 . 2]" 1
74 1 11 GLU HA 1 87 VAL MG1 . . 3.300 2.681 2.191 3.004 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU OE2 1 88 HIS HD1 . . 2.000 2.078 1.980 3.586 1.586 8 1 "[ . + 1 . 2]" 1
76 1 11 GLU OE2 1 88 HIS ND1 . . 3.000 2.922 2.800 4.242 1.242 8 1 "[ . + 1 . 2]" 1
77 1 12 LEU H 1 13 ASP H . . 2.900 2.753 2.695 2.814 . 0 0 "[ . 1 . 2]" 1
78 1 12 LEU H 1 14 LYS H . . 5.000 4.422 4.086 4.752 . 0 0 "[ . 1 . 2]" 1
79 1 12 LEU H 1 15 TRP H . . 5.000 4.616 4.515 4.734 . 0 0 "[ . 1 . 2]" 1
80 1 12 LEU HA 1 14 LYS H . . 5.000 4.697 4.306 4.963 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU HA 1 15 TRP H . . 5.000 3.491 3.335 3.649 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU HA 1 15 TRP HB2 . . 3.300 3.265 3.188 3.300 0.000 13 0 "[ . 1 . 2]" 1
83 1 12 LEU HA 1 15 TRP HB3 . . 2.700 2.384 2.163 2.576 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU HA 1 15 TRP HD1 . . 5.000 4.090 3.847 4.352 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU HA 1 16 GLU H . . 5.000 3.934 3.675 4.264 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU QD 1 15 TRP HD1 . . 3.300 3.103 2.802 3.301 0.001 17 0 "[ . 1 . 2]" 1
87 1 12 LEU QD 1 16 GLU H . . 5.000 3.959 2.969 4.476 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU QD 1 33 ILE MD . . 5.000 3.413 2.866 4.364 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU HG 1 13 ASP H . . 5.000 4.118 3.816 5.000 . 0 0 "[ . 1 . 2]" 1
90 1 13 ASP H 1 14 LYS H . . 2.900 2.892 2.805 2.902 0.002 6 0 "[ . 1 . 2]" 1
91 1 13 ASP H 1 15 TRP H . . 5.000 4.091 3.793 4.220 . 0 0 "[ . 1 . 2]" 1
92 1 13 ASP H 1 16 GLU H . . 5.000 4.916 4.816 5.000 . 0 0 "[ . 1 . 2]" 1
93 1 13 ASP HA 1 15 TRP H . . 5.000 4.525 4.270 4.638 . 0 0 "[ . 1 . 2]" 1
94 1 13 ASP HA 1 16 GLU H . . 5.000 3.901 3.786 3.978 . 0 0 "[ . 1 . 2]" 1
95 1 13 ASP HA 1 16 GLU QB . . 3.300 3.272 3.208 3.301 0.001 18 0 "[ . 1 . 2]" 1
96 1 14 LYS H 1 15 TRP H . . 2.900 2.645 2.539 2.716 . 0 0 "[ . 1 . 2]" 1
97 1 14 LYS H 1 16 GLU H . . 5.000 4.467 4.122 4.627 . 0 0 "[ . 1 . 2]" 1
98 1 14 LYS HA 1 16 GLU H . . 5.000 4.608 4.194 4.864 . 0 0 "[ . 1 . 2]" 1
99 1 14 LYS HA 1 17 LYS H . . 5.000 3.373 3.266 3.505 . 0 0 "[ . 1 . 2]" 1
100 1 15 TRP H 1 16 GLU H . . 2.900 2.877 2.762 2.901 0.001 8 0 "[ . 1 . 2]" 1
101 1 15 TRP H 1 87 VAL MG1 . . 5.000 4.163 3.397 4.355 . 0 0 "[ . 1 . 2]" 1
102 1 15 TRP H 1 87 VAL MG2 . . 5.000 4.225 3.838 4.520 . 0 0 "[ . 1 . 2]" 1
103 1 15 TRP HA 1 15 TRP HE3 . . 3.300 2.851 2.726 2.988 . 0 0 "[ . 1 . 2]" 1
104 1 15 TRP HA 1 17 LYS H . . 5.000 4.011 3.867 4.051 . 0 0 "[ . 1 . 2]" 1
105 1 15 TRP HA 1 18 ILE H . . 5.000 3.561 3.443 4.526 . 0 0 "[ . 1 . 2]" 1
106 1 15 TRP HA 1 18 ILE MD . . 3.300 1.972 1.881 2.221 . 0 0 "[ . 1 . 2]" 1
107 1 15 TRP HA 1 87 VAL MG1 . . 5.000 4.586 3.813 4.986 . 0 0 "[ . 1 . 2]" 1
108 1 15 TRP HA 1 87 VAL MG2 . . 5.000 3.522 2.963 3.762 . 0 0 "[ . 1 . 2]" 1
109 1 15 TRP HB2 1 15 TRP HE3 . . 3.300 2.677 2.623 2.729 . 0 0 "[ . 1 . 2]" 1
110 1 15 TRP HB3 1 15 TRP HD1 . . 3.300 2.609 2.588 2.635 . 0 0 "[ . 1 . 2]" 1
111 1 15 TRP HB3 1 16 GLU H . . 2.700 2.401 2.250 2.700 . 20 0 "[ . 1 . 2]" 1
112 1 15 TRP HD1 1 16 GLU HA . . 5.000 3.279 3.141 3.603 . 0 0 "[ . 1 . 2]" 1
113 1 15 TRP HD1 1 16 GLU HG2 . . 3.300 3.199 2.980 3.301 0.001 6 0 "[ . 1 . 2]" 1
114 1 15 TRP HD1 1 16 GLU HG3 . . 3.300 3.154 2.902 3.301 0.001 17 0 "[ . 1 . 2]" 1
115 1 15 TRP HD1 1 29 LYS H . . 5.000 4.801 4.713 4.874 . 0 0 "[ . 1 . 2]" 1
116 1 15 TRP HD1 1 29 LYS HA . . 3.300 3.299 3.293 3.301 0.001 17 0 "[ . 1 . 2]" 1
117 1 15 TRP HD1 1 33 ILE MD . . 5.000 3.302 2.924 3.511 . 0 0 "[ . 1 . 2]" 1
118 1 15 TRP HE1 1 29 LYS H . . 5.000 3.018 2.917 3.103 . 0 0 "[ . 1 . 2]" 1
119 1 15 TRP HE1 1 29 LYS HA . . 5.000 2.925 2.784 3.171 . 0 0 "[ . 1 . 2]" 1
120 1 15 TRP HE1 1 30 LEU H . . 5.000 3.710 3.612 3.830 . 0 0 "[ . 1 . 2]" 1
121 1 15 TRP HE1 1 30 LEU HA . . 3.300 3.289 3.241 3.301 0.001 17 0 "[ . 1 . 2]" 1
122 1 15 TRP HE1 1 33 ILE H . . 5.000 3.975 3.546 4.204 . 0 0 "[ . 1 . 2]" 1
123 1 15 TRP HE1 1 33 ILE MD . . 3.300 2.719 2.617 2.830 . 0 0 "[ . 1 . 2]" 1
124 1 15 TRP HE1 1 33 ILE HG12 . . 5.000 4.018 3.740 4.259 . 0 0 "[ . 1 . 2]" 1
125 1 15 TRP HE1 1 33 ILE HG13 . . 3.300 2.824 2.588 3.016 . 0 0 "[ . 1 . 2]" 1
126 1 15 TRP HE3 1 18 ILE MD . . 5.000 2.999 2.664 3.262 . 0 0 "[ . 1 . 2]" 1
127 1 15 TRP HE3 1 84 LEU HA . . 5.000 3.242 2.946 3.562 . 0 0 "[ . 1 . 2]" 1
128 1 15 TRP HE3 1 87 VAL MG1 . . 5.000 4.080 3.537 4.674 . 0 0 "[ . 1 . 2]" 1
129 1 15 TRP HE3 1 87 VAL MG2 . . 3.300 2.593 2.185 2.977 . 0 0 "[ . 1 . 2]" 1
130 1 15 TRP HH2 1 80 THR HA . . 5.000 3.227 2.640 3.590 . 0 0 "[ . 1 . 2]" 1
131 1 15 TRP HH2 1 80 THR MG . . 2.700 1.904 1.882 1.993 . 0 0 "[ . 1 . 2]" 1
132 1 15 TRP HZ2 1 33 ILE H . . 3.300 3.294 3.231 3.301 0.001 8 0 "[ . 1 . 2]" 1
133 1 15 TRP HZ2 1 33 ILE MD . . 5.000 3.473 3.311 3.640 . 0 0 "[ . 1 . 2]" 1
134 1 15 TRP HZ3 1 83 VAL HB . . 2.700 2.603 2.191 2.701 0.001 7 0 "[ . 1 . 2]" 1
135 1 15 TRP HZ3 1 83 VAL MG1 . . 2.700 2.534 2.299 2.700 . 0 0 "[ . 1 . 2]" 1
136 1 15 TRP HZ3 1 84 LEU HA . . 3.300 2.455 2.261 2.756 . 0 0 "[ . 1 . 2]" 1
137 1 15 TRP HZ3 1 84 LEU MD1 . . 3.300 2.577 2.413 2.928 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLU H 1 17 LYS H . . 2.900 2.644 2.499 2.707 . 0 0 "[ . 1 . 2]" 1
139 1 16 GLU HA 1 18 ILE H . . 5.000 4.646 3.486 4.804 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLU HA 1 28 TYR H . . 5.000 3.684 3.383 3.841 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLU HA 1 28 TYR HA . . 5.000 4.963 4.879 5.001 0.001 18 0 "[ . 1 . 2]" 1
142 1 16 GLU HA 1 28 TYR HB2 . . 5.000 3.650 3.562 3.729 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLU HA 1 28 TYR HB3 . . 5.000 3.758 3.535 3.945 . 0 0 "[ . 1 . 2]" 1
144 1 16 GLU HA 1 29 LYS HA . . 5.000 3.689 3.558 3.960 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLU QB 1 17 LYS H . . 3.300 2.929 2.899 3.073 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS H 1 18 ILE H . . 2.900 2.590 2.499 2.902 0.002 20 0 "[ . 1 . 2]" 1
147 1 17 LYS HA 1 27 GLN HB3 . . 5.000 3.807 3.682 4.435 . 0 0 "[ . 1 . 2]" 1
148 1 17 LYS HA 1 27 GLN HG2 . . 5.000 4.083 2.732 5.000 0.000 15 0 "[ . 1 . 2]" 1
149 1 17 LYS HA 1 28 TYR H . . 5.000 5.000 4.998 5.001 0.001 6 0 "[ . 1 . 2]" 1
150 1 18 ILE H 1 27 GLN QB . . 5.000 4.742 3.601 5.000 0.000 9 0 "[ . 1 . 2]" 1
151 1 18 ILE H 1 28 TYR H . . 5.000 4.526 2.819 4.688 . 0 0 "[ . 1 . 2]" 1
152 1 18 ILE H 1 28 TYR HD2 . . 5.000 4.663 4.123 4.754 . 0 0 "[ . 1 . 2]" 1
153 1 18 ILE HA 1 19 ARG H . . 2.700 2.202 2.142 2.228 . 0 0 "[ . 1 . 2]" 1
154 1 18 ILE HA 1 94 LYS HA . . 5.000 3.287 2.213 3.738 . 0 0 "[ . 1 . 2]" 1
155 1 18 ILE HB 1 28 TYR HD2 . . 2.700 2.675 2.275 2.701 0.001 2 0 "[ . 1 . 2]" 1
156 1 18 ILE MD 1 83 VAL MG1 . . 3.300 2.020 1.799 2.290 . 0 0 "[ . 1 . 2]" 1
157 1 18 ILE MD 1 93 VAL QG . . 5.000 2.950 2.153 3.557 . 0 0 "[ . 1 . 2]" 1
158 1 18 ILE HG12 1 93 VAL MG2 . . 3.300 2.586 1.949 3.301 0.001 20 0 "[ . 1 . 2]" 1
159 1 18 ILE MG 1 28 TYR HD2 . . 2.700 2.067 1.964 2.087 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE MG 1 28 TYR HE2 . . 3.300 2.389 2.316 2.499 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE MG 1 83 VAL MG1 . . 5.000 1.824 1.742 1.987 . 0 0 "[ . 1 . 2]" 1
162 1 18 ILE MG 1 83 VAL MG2 . . 5.000 2.168 1.989 2.544 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE MG 1 95 ASP H . . 5.000 3.619 2.432 4.050 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE MG 1 95 ASP HA . . 2.700 2.286 1.991 2.670 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE MG 1 96 THR H . . 5.000 3.596 3.256 3.966 . 0 0 "[ . 1 . 2]" 1
166 1 19 ARG H 1 95 ASP H . . 5.000 4.423 3.780 4.830 . 0 0 "[ . 1 . 2]" 1
167 1 19 ARG H 1 95 ASP HA . . 2.700 2.222 1.950 2.609 . 0 0 "[ . 1 . 2]" 1
168 1 19 ARG H 1 96 THR H . . 5.000 4.355 3.990 4.844 . 0 0 "[ . 1 . 2]" 1
169 1 19 ARG HA 1 20 LEU H . . 2.700 2.332 2.197 2.380 . 0 0 "[ . 1 . 2]" 1
170 1 19 ARG HA 1 27 GLN HA . . 2.700 2.019 1.998 2.372 . 0 0 "[ . 1 . 2]" 1
171 1 19 ARG HA 1 28 TYR H . . 5.000 3.125 2.949 4.107 . 0 0 "[ . 1 . 2]" 1
172 1 19 ARG HA 1 95 ASP HA . . 5.000 4.440 4.192 4.731 . 0 0 "[ . 1 . 2]" 1
173 1 19 ARG QB 1 21 ARG H . . 3.300 2.667 2.361 3.075 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU H 1 20 LEU HG . . 2.700 2.203 1.949 2.700 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU H 1 21 ARG H . . 2.700 2.531 2.408 2.685 . 0 0 "[ . 1 . 2]" 1
176 1 20 LEU H 1 26 LYS H . . 5.000 4.834 3.858 5.001 0.001 1 0 "[ . 1 . 2]" 1
177 1 20 LEU H 1 27 GLN HA . . 3.300 3.298 3.270 3.301 0.001 5 0 "[ . 1 . 2]" 1
178 1 20 LEU HA 1 20 LEU MD2 . . 2.700 2.490 2.072 2.700 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU HA 1 96 THR H . . 5.000 3.790 3.532 4.194 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU MD1 1 32 HIS HE1 . . 5.000 2.672 2.227 3.330 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU MD2 1 28 TYR H . . 5.000 4.706 3.338 5.001 0.001 3 0 "[ . 1 . 2]" 1
182 1 20 LEU MD2 1 28 TYR HA . . 3.300 2.751 1.977 3.114 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU MD2 1 28 TYR QD . . 3.300 2.814 2.694 2.995 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU MD2 1 28 TYR QE . . 3.300 2.590 2.500 2.768 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU MD2 1 32 HIS HE1 . . 5.000 2.841 2.446 3.210 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU HG 1 27 GLN HA . . 5.000 4.015 3.567 4.193 . 0 0 "[ . 1 . 2]" 1
187 1 21 ARG H 1 24 GLY H . . 5.000 4.416 3.961 4.902 . 0 0 "[ . 1 . 2]" 1
188 1 21 ARG H 1 24 GLY HA3 . . 5.000 4.043 3.773 4.587 . 0 0 "[ . 1 . 2]" 1
189 1 21 ARG H 1 95 ASP HB2 . . 5.000 4.440 4.040 4.925 . 0 0 "[ . 1 . 2]" 1
190 1 21 ARG H 1 95 ASP HB3 . . 5.000 4.789 4.285 5.000 . 0 0 "[ . 1 . 2]" 1
191 1 21 ARG H 1 96 THR H . . 5.000 4.273 3.971 4.666 . 0 0 "[ . 1 . 2]" 1
192 1 21 ARG HA 1 22 PRO HD2 . . 2.900 2.476 2.312 2.498 . 0 0 "[ . 1 . 2]" 1
193 1 21 ARG HA 1 22 PRO HD3 . . 2.900 2.332 2.270 2.342 . 0 0 "[ . 1 . 2]" 1
194 1 21 ARG HA 1 96 THR H . . 5.000 3.638 3.102 4.049 . 0 0 "[ . 1 . 2]" 1
195 1 21 ARG HA 1 96 THR HB . . 5.000 3.368 2.751 3.824 . 0 0 "[ . 1 . 2]" 1
196 1 21 ARG HA 1 97 LYS H . . 5.000 3.792 3.470 4.286 . 0 0 "[ . 1 . 2]" 1
197 1 22 PRO HA 1 24 GLY H . . 5.000 4.301 3.885 4.990 . 0 0 "[ . 1 . 2]" 1
198 1 22 PRO HA 1 95 ASP HB2 . . 3.300 2.951 2.611 3.218 . 0 0 "[ . 1 . 2]" 1
199 1 22 PRO HA 1 95 ASP HB3 . . 3.300 2.754 2.255 3.171 . 0 0 "[ . 1 . 2]" 1
200 1 22 PRO HA 1 96 THR H . . 5.000 4.950 4.734 5.001 0.001 6 0 "[ . 1 . 2]" 1
201 1 22 PRO HA 1 97 LYS H . . 5.000 4.700 4.209 4.998 . 0 0 "[ . 1 . 2]" 1
202 1 22 PRO HB2 1 23 GLY H . . 3.300 3.189 3.022 3.301 0.001 9 0 "[ . 1 . 2]" 1
203 1 22 PRO HD2 1 23 GLY H . . 5.000 2.666 2.648 2.707 . 0 0 "[ . 1 . 2]" 1
204 1 22 PRO HD3 1 96 THR H . . 5.000 4.341 3.687 4.713 . 0 0 "[ . 1 . 2]" 1
205 1 22 PRO HD3 1 96 THR HB . . 5.000 4.150 3.385 4.627 . 0 0 "[ . 1 . 2]" 1
206 1 23 GLY H 1 24 GLY H . . 3.300 2.869 2.077 3.292 . 0 0 "[ . 1 . 2]" 1
207 1 24 GLY HA2 1 25 LYS H . . 2.700 2.569 2.433 2.691 . 0 0 "[ . 1 . 2]" 1
208 1 24 GLY HA3 1 25 LYS H . . 2.700 2.557 2.439 2.700 . 0 0 "[ . 1 . 2]" 1
209 1 25 LYS H 1 25 LYS QB . . 2.700 2.519 2.362 2.617 . 0 0 "[ . 1 . 2]" 1
210 1 25 LYS H 1 26 LYS H . . 2.700 2.339 1.900 2.662 . 0 0 "[ . 1 . 2]" 1
211 1 26 LYS H 1 26 LYS QB . . 2.700 2.544 2.117 2.699 . 0 0 "[ . 1 . 2]" 1
212 1 26 LYS HA 1 27 GLN H . . 2.700 2.296 2.141 2.697 . 0 0 "[ . 1 . 2]" 1
213 1 27 GLN HA 1 28 TYR H . . 2.700 2.583 2.410 2.700 . 0 0 "[ . 1 . 2]" 1
214 1 28 TYR H 1 28 TYR HD2 . . 3.300 3.300 3.297 3.301 0.001 17 0 "[ . 1 . 2]" 1
215 1 28 TYR HA 1 29 LYS H . . 2.700 2.276 2.266 2.287 . 0 0 "[ . 1 . 2]" 1
216 1 28 TYR HA 1 32 HIS QB . . 5.000 4.431 4.350 4.509 . 0 0 "[ . 1 . 2]" 1
217 1 28 TYR HA 1 32 HIS HE1 . . 3.300 2.228 2.091 2.634 . 0 0 "[ . 1 . 2]" 1
218 1 28 TYR HD1 1 32 HIS QB . . 2.700 2.423 2.266 2.527 . 0 0 "[ . 1 . 2]" 1
219 1 28 TYR HD1 1 32 HIS HE1 . . 5.000 3.946 3.865 4.043 . 0 0 "[ . 1 . 2]" 1
220 1 28 TYR HD1 1 80 THR MG . . 5.000 3.604 3.389 3.915 . 0 0 "[ . 1 . 2]" 1
221 1 28 TYR HD2 1 83 VAL HB . . 5.000 4.997 4.971 5.001 0.001 20 0 "[ . 1 . 2]" 1
222 1 28 TYR HE1 1 80 THR HA . . 3.300 2.694 2.496 3.294 . 0 0 "[ . 1 . 2]" 1
223 1 28 TYR HE1 1 80 THR MG . . 3.300 2.530 2.165 3.016 . 0 0 "[ . 1 . 2]" 1
224 1 28 TYR HE2 1 83 VAL HB . . 5.000 4.060 3.953 4.293 . 0 0 "[ . 1 . 2]" 1
225 1 28 TYR HE2 1 83 VAL MG1 . . 5.000 3.212 3.017 3.437 . 0 0 "[ . 1 . 2]" 1
226 1 28 TYR HE2 1 83 VAL MG2 . . 5.000 2.108 2.018 2.235 . 0 0 "[ . 1 . 2]" 1
227 1 28 TYR HE2 1 96 THR H . . 5.000 3.589 3.288 3.927 . 0 0 "[ . 1 . 2]" 1
228 1 28 TYR HE2 1 96 THR HA . . 5.000 3.715 3.516 4.029 . 0 0 "[ . 1 . 2]" 1
229 1 28 TYR HE2 1 96 THR MG . . 5.000 3.874 3.697 4.027 . 0 0 "[ . 1 . 2]" 1
230 1 28 TYR OH 1 96 THR HG1 . . 2.000 1.996 1.977 2.001 0.001 7 0 "[ . 1 . 2]" 1
231 1 28 TYR OH 1 96 THR OG1 . . 3.000 2.761 2.707 2.806 . 0 0 "[ . 1 . 2]" 1
232 1 29 LYS H 1 32 HIS H . . 5.000 3.479 3.433 3.521 . 0 0 "[ . 1 . 2]" 1
233 1 29 LYS H 1 32 HIS HE1 . . 2.700 2.610 2.533 2.698 . 0 0 "[ . 1 . 2]" 1
234 1 29 LYS H 1 32 HIS ND1 . . 2.000 2.001 1.999 2.002 0.002 6 0 "[ . 1 . 2]" 1
235 1 29 LYS HA 1 30 LEU H . . 2.700 2.449 2.382 2.476 . 0 0 "[ . 1 . 2]" 1
236 1 29 LYS QB 1 32 HIS HE1 . . 3.300 3.131 2.840 3.300 . 0 0 "[ . 1 . 2]" 1
237 1 29 LYS N 1 32 HIS ND1 . . 3.000 2.950 2.948 2.952 . 0 0 "[ . 1 . 2]" 1
238 1 30 LEU H 1 30 LEU QD . . 3.300 2.762 2.013 3.240 . 0 0 "[ . 1 . 2]" 1
239 1 30 LEU H 1 31 LYS H . . 2.900 2.733 2.716 2.761 . 0 0 "[ . 1 . 2]" 1
240 1 30 LEU H 1 32 HIS H . . 5.000 4.398 4.370 4.437 . 0 0 "[ . 1 . 2]" 1
241 1 30 LEU H 1 33 ILE H . . 5.000 5.000 4.999 5.002 0.002 20 0 "[ . 1 . 2]" 1
242 1 30 LEU HA 1 30 LEU QD . . 2.700 2.268 1.862 2.603 . 0 0 "[ . 1 . 2]" 1
243 1 30 LEU HA 1 33 ILE H . . 5.000 2.911 2.874 2.993 . 0 0 "[ . 1 . 2]" 1
244 1 30 LEU HA 1 33 ILE HB . . 3.300 2.812 2.714 2.888 . 0 0 "[ . 1 . 2]" 1
245 1 30 LEU HA 1 33 ILE MD . . 3.300 2.399 2.099 2.646 . 0 0 "[ . 1 . 2]" 1
246 1 30 LEU QD 1 33 ILE MD . . 5.000 2.105 1.823 2.736 . 0 0 "[ . 1 . 2]" 1
247 1 31 LYS H 1 32 HIS H . . 2.900 2.767 2.760 2.777 . 0 0 "[ . 1 . 2]" 1
248 1 31 LYS H 1 33 ILE H . . 5.000 4.223 4.182 4.335 . 0 0 "[ . 1 . 2]" 1
249 1 31 LYS H 1 34 VAL H . . 5.000 4.922 4.894 4.960 . 0 0 "[ . 1 . 2]" 1
250 1 31 LYS HA 1 34 VAL H . . 5.000 3.873 3.814 3.964 . 0 0 "[ . 1 . 2]" 1
251 1 31 LYS HA 1 34 VAL HB . . 3.300 3.299 3.292 3.302 0.002 17 0 "[ . 1 . 2]" 1
252 1 31 LYS HA 1 35 TRP H . . 5.000 4.049 3.791 4.409 . 0 0 "[ . 1 . 2]" 1
253 1 32 HIS H 1 32 HIS HD2 . . 5.000 4.092 3.831 4.250 . 0 0 "[ . 1 . 2]" 1
254 1 32 HIS H 1 33 ILE H . . 2.900 2.463 2.428 2.529 . 0 0 "[ . 1 . 2]" 1
255 1 32 HIS H 1 34 VAL H . . 5.000 4.043 4.012 4.073 . 0 0 "[ . 1 . 2]" 1
256 1 32 HIS HA 1 32 HIS HD2 . . 2.900 2.853 2.712 2.899 . 0 0 "[ . 1 . 2]" 1
257 1 32 HIS HA 1 35 TRP H . . 5.000 3.558 3.340 3.843 . 0 0 "[ . 1 . 2]" 1
258 1 32 HIS HA 1 35 TRP QB . . 3.300 2.599 2.459 2.792 . 0 0 "[ . 1 . 2]" 1
259 1 32 HIS HA 1 35 TRP HE3 . . 5.000 3.778 3.527 4.371 . 0 0 "[ . 1 . 2]" 1
260 1 32 HIS HA 1 36 ALA H . . 5.000 3.947 3.652 4.448 . 0 0 "[ . 1 . 2]" 1
261 1 33 ILE H 1 33 ILE HB . . 2.700 2.591 2.522 2.639 . 0 0 "[ . 1 . 2]" 1
262 1 33 ILE H 1 34 VAL H . . 2.900 2.546 2.483 2.670 . 0 0 "[ . 1 . 2]" 1
263 1 33 ILE H 1 35 TRP H . . 5.000 4.100 3.978 4.280 . 0 0 "[ . 1 . 2]" 1
264 1 33 ILE HA 1 36 ALA H . . 5.000 3.867 3.578 4.035 . 0 0 "[ . 1 . 2]" 1
265 1 33 ILE HA 1 36 ALA MB . . 3.300 3.092 2.826 3.278 . 0 0 "[ . 1 . 2]" 1
266 1 33 ILE HA 1 80 THR MG . . 5.000 2.947 2.649 3.236 . 0 0 "[ . 1 . 2]" 1
267 1 33 ILE HB 1 34 VAL H . . 2.700 2.678 2.561 2.701 0.001 4 0 "[ . 1 . 2]" 1
268 1 33 ILE MD 1 84 LEU MD1 . . 5.000 2.866 2.479 3.739 . 0 0 "[ . 1 . 2]" 1
269 1 33 ILE MG 1 34 VAL MG2 . . 5.000 3.560 3.239 3.748 . 0 0 "[ . 1 . 2]" 1
270 1 33 ILE MG 1 84 LEU MD1 . . 5.000 2.710 2.366 3.199 . 0 0 "[ . 1 . 2]" 1
271 1 34 VAL H 1 34 VAL HB . . 2.700 2.511 2.501 2.528 . 0 0 "[ . 1 . 2]" 1
272 1 34 VAL H 1 34 VAL MG2 . . 2.700 2.295 2.078 2.436 . 0 0 "[ . 1 . 2]" 1
273 1 34 VAL H 1 35 TRP H . . 2.900 2.554 2.455 2.731 . 0 0 "[ . 1 . 2]" 1
274 1 34 VAL H 1 36 ALA H . . 5.000 4.207 3.925 4.469 . 0 0 "[ . 1 . 2]" 1
275 1 34 VAL H 1 37 SER H . . 5.000 4.785 4.616 4.998 . 0 0 "[ . 1 . 2]" 1
276 1 34 VAL HA 1 34 VAL MG1 . . 2.700 2.326 2.301 2.380 . 0 0 "[ . 1 . 2]" 1
277 1 34 VAL HA 1 34 VAL MG2 . . 2.700 2.328 2.280 2.427 . 0 0 "[ . 1 . 2]" 1
278 1 34 VAL HA 1 37 SER H . . 5.000 3.437 3.170 3.663 . 0 0 "[ . 1 . 2]" 1
279 1 34 VAL HA 1 37 SER QB . . 3.300 2.594 2.120 2.860 . 0 0 "[ . 1 . 2]" 1
280 1 34 VAL HB 1 35 TRP H . . 2.700 2.571 2.347 2.700 . 0 0 "[ . 1 . 2]" 1
281 1 35 TRP H 1 36 ALA H . . 2.900 2.794 2.570 2.893 . 0 0 "[ . 1 . 2]" 1
282 1 35 TRP H 1 37 SER H . . 5.000 4.066 3.848 4.367 . 0 0 "[ . 1 . 2]" 1
283 1 35 TRP H 1 38 ARG H . . 5.000 4.996 4.919 5.002 0.002 7 0 "[ . 1 . 2]" 1
284 1 35 TRP HA 1 38 ARG H . . 5.000 3.626 3.504 3.766 . 0 0 "[ . 1 . 2]" 1
285 1 35 TRP HA 1 38 ARG QB . . 3.300 3.123 2.863 3.294 . 0 0 "[ . 1 . 2]" 1
286 1 35 TRP HE3 1 36 ALA H . . 3.300 2.806 2.329 3.216 . 0 0 "[ . 1 . 2]" 1
287 1 35 TRP HH2 1 77 LEU H . . 3.300 3.253 3.155 3.300 0.000 14 0 "[ . 1 . 2]" 1
288 1 35 TRP HZ2 1 73 GLU HA . . 5.000 3.174 2.602 3.770 . 0 0 "[ . 1 . 2]" 1
289 1 35 TRP HZ2 1 73 GLU QG . . 5.000 2.761 2.046 3.941 . 0 0 "[ . 1 . 2]" 1
290 1 35 TRP HZ3 1 77 LEU HA . . 2.700 2.673 2.599 2.700 0.000 10 0 "[ . 1 . 2]" 1
291 1 35 TRP HZ3 1 77 LEU MD1 . . 5.000 3.144 2.070 3.344 . 0 0 "[ . 1 . 2]" 1
292 1 35 TRP HZ3 1 80 THR H . . 5.000 4.806 4.674 4.994 . 0 0 "[ . 1 . 2]" 1
293 1 36 ALA H 1 37 SER H . . 2.900 2.653 2.276 2.879 . 0 0 "[ . 1 . 2]" 1
294 1 36 ALA H 1 38 ARG H . . 5.000 4.380 3.998 4.622 . 0 0 "[ . 1 . 2]" 1
295 1 36 ALA H 1 39 GLU H . . 5.000 4.857 4.656 5.000 . 18 0 "[ . 1 . 2]" 1
296 1 36 ALA HA 1 39 GLU H . . 5.000 3.436 3.240 3.728 . 0 0 "[ . 1 . 2]" 1
297 1 36 ALA HA 1 39 GLU HB2 . . 3.300 3.053 2.480 3.300 0.000 19 0 "[ . 1 . 2]" 1
298 1 36 ALA HA 1 39 GLU HB3 . . 3.300 3.138 2.637 3.301 0.001 19 0 "[ . 1 . 2]" 1
299 1 36 ALA HA 1 77 LEU MD1 . . 2.700 2.491 2.358 2.685 . 0 0 "[ . 1 . 2]" 1
300 1 36 ALA MB 1 37 SER H . . 3.300 2.747 2.388 2.966 . 0 0 "[ . 1 . 2]" 1
301 1 36 ALA MB 1 77 LEU MD1 . . 3.300 2.255 1.923 2.757 . 0 0 "[ . 1 . 2]" 1
302 1 36 ALA MB 1 80 THR HB . . 5.000 3.030 2.831 3.366 . 0 0 "[ . 1 . 2]" 1
303 1 36 ALA MB 1 80 THR MG . . 3.300 2.523 2.220 2.820 . 0 0 "[ . 1 . 2]" 1
304 1 37 SER H 1 38 ARG H . . 2.900 2.701 2.497 2.900 . 0 0 "[ . 1 . 2]" 1
305 1 37 SER H 1 39 GLU H . . 5.000 4.026 3.792 4.601 . 0 0 "[ . 1 . 2]" 1
306 1 37 SER H 1 40 LEU H . . 5.000 4.607 4.444 4.723 . 0 0 "[ . 1 . 2]" 1
307 1 37 SER H 1 50 LEU MD1 . . 3.300 3.282 3.132 3.301 0.001 19 0 "[ . 1 . 2]" 1
308 1 37 SER HA 1 40 LEU H . . 5.000 3.484 3.183 3.845 . 0 0 "[ . 1 . 2]" 1
309 1 37 SER HA 1 40 LEU QB . . 3.300 2.519 2.326 2.737 . 0 0 "[ . 1 . 2]" 1
310 1 37 SER HA 1 50 LEU MD1 . . 2.700 2.419 2.058 2.700 0.000 18 0 "[ . 1 . 2]" 1
311 1 38 ARG H 1 39 GLU H . . 2.900 2.597 2.347 2.832 . 0 0 "[ . 1 . 2]" 1
312 1 38 ARG H 1 40 LEU H . . 5.000 3.923 3.796 4.081 . 0 0 "[ . 1 . 2]" 1
313 1 38 ARG HA 1 41 GLU H . . 5.000 3.803 3.663 3.915 . 0 0 "[ . 1 . 2]" 1
314 1 38 ARG HA 1 41 GLU QB . . 3.300 3.278 3.138 3.301 0.001 5 0 "[ . 1 . 2]" 1
315 1 39 GLU H 1 40 LEU H . . 2.900 2.446 2.288 2.759 . 0 0 "[ . 1 . 2]" 1
316 1 39 GLU H 1 41 GLU H . . 5.000 4.444 4.215 4.795 . 0 0 "[ . 1 . 2]" 1
317 1 39 GLU H 1 42 ARG H . . 5.000 4.995 4.965 5.001 0.001 10 0 "[ . 1 . 2]" 1
318 1 39 GLU HA 1 42 ARG H . . 5.000 3.565 3.515 3.609 . 0 0 "[ . 1 . 2]" 1
319 1 39 GLU HA 1 42 ARG QB . . 3.300 2.655 2.398 2.867 . 0 0 "[ . 1 . 2]" 1
320 1 39 GLU QB 1 77 LEU MD1 . . 3.300 2.980 2.082 3.284 . 0 0 "[ . 1 . 2]" 1
321 1 40 LEU H 1 41 GLU H . . 2.900 2.706 2.632 2.820 . 0 0 "[ . 1 . 2]" 1
322 1 40 LEU H 1 42 ARG H . . 5.000 3.845 3.794 3.918 . 0 0 "[ . 1 . 2]" 1
323 1 40 LEU H 1 43 PHE H . . 5.000 5.001 4.999 5.002 0.002 9 0 "[ . 1 . 2]" 1
324 1 40 LEU H 1 77 LEU MD1 . . 5.000 4.268 3.903 4.614 . 0 0 "[ . 1 . 2]" 1
325 1 40 LEU HA 1 43 PHE H . . 5.000 3.420 3.325 3.544 . 0 0 "[ . 1 . 2]" 1
326 1 40 LEU HA 1 43 PHE HB2 . . 5.000 3.238 3.076 3.476 . 0 0 "[ . 1 . 2]" 1
327 1 40 LEU HA 1 45 VAL HB . . 3.300 3.225 3.103 3.300 . 8 0 "[ . 1 . 2]" 1
328 1 40 LEU HA 1 45 VAL MG2 . . 5.000 4.287 4.187 4.347 . 0 0 "[ . 1 . 2]" 1
329 1 40 LEU MD1 1 47 PRO HA . . 2.700 2.285 1.945 2.617 . 0 0 "[ . 1 . 2]" 1
330 1 40 LEU MD1 1 47 PRO HB3 . . 5.000 3.666 3.355 4.003 . 0 0 "[ . 1 . 2]" 1
331 1 40 LEU MD1 1 50 LEU MD2 . . 3.300 2.098 1.850 2.509 . 0 0 "[ . 1 . 2]" 1
332 1 40 LEU MD1 1 50 LEU HG . . 2.700 2.018 1.965 2.318 . 0 0 "[ . 1 . 2]" 1
333 1 40 LEU MD1 1 59 ILE MD . . 3.300 2.178 1.995 2.469 . 0 0 "[ . 1 . 2]" 1
334 1 40 LEU MD1 1 59 ILE MG . . 5.000 3.207 2.802 3.532 . 0 0 "[ . 1 . 2]" 1
335 1 40 LEU MD2 1 45 VAL HB . . 2.700 2.029 1.970 2.210 . 0 0 "[ . 1 . 2]" 1
336 1 40 LEU MD2 1 63 LEU MD1 . . 5.000 4.058 3.640 4.587 . 0 0 "[ . 1 . 2]" 1
337 1 40 LEU MD2 1 77 LEU MD1 . . 5.000 2.858 2.004 4.481 . 0 0 "[ . 1 . 2]" 1
338 1 40 LEU MD2 1 77 LEU MD2 . . 5.000 4.609 3.387 4.999 . 0 0 "[ . 1 . 2]" 1
339 1 41 GLU H 1 42 ARG H . . 2.900 2.717 2.708 2.744 . 0 0 "[ . 1 . 2]" 1
340 1 41 GLU H 1 43 PHE H . . 5.000 4.237 4.208 4.311 . 0 0 "[ . 1 . 2]" 1
341 1 41 GLU H 1 47 PRO HB3 . . 5.000 4.245 4.117 4.299 . 0 0 "[ . 1 . 2]" 1
342 1 41 GLU H 1 47 PRO HD3 . . 5.000 3.753 3.707 3.807 . 0 0 "[ . 1 . 2]" 1
343 1 41 GLU H 1 47 PRO HG3 . . 5.000 5.002 5.000 5.003 0.003 10 0 "[ . 1 . 2]" 1
344 1 41 GLU HA 1 44 ALA H . . 5.000 4.000 3.881 4.080 . 0 0 "[ . 1 . 2]" 1
345 1 42 ARG H 1 43 PHE H . . 2.900 2.531 2.482 2.627 . 0 0 "[ . 1 . 2]" 1
346 1 42 ARG H 1 44 ALA H . . 5.000 4.281 4.225 4.309 . 0 0 "[ . 1 . 2]" 1
347 1 42 ARG HA 1 44 ALA H . . 5.000 3.585 3.567 3.625 . 0 0 "[ . 1 . 2]" 1
348 1 43 PHE H 1 43 PHE HB2 . . 2.700 2.455 2.379 2.563 . 0 0 "[ . 1 . 2]" 1
349 1 43 PHE H 1 44 ALA H . . 2.900 2.798 2.762 2.813 . 0 0 "[ . 1 . 2]" 1
350 1 43 PHE H 1 45 VAL H . . 5.000 3.108 3.092 3.132 . 0 0 "[ . 1 . 2]" 1
351 1 43 PHE HB2 1 45 VAL MG2 . . 5.000 2.969 2.815 3.076 . 0 0 "[ . 1 . 2]" 1
352 1 43 PHE HB3 1 45 VAL MG2 . . 5.000 3.224 3.097 3.373 . 0 0 "[ . 1 . 2]" 1
353 1 43 PHE HZ 1 74 LEU HA . . 5.000 4.923 4.712 5.000 0.000 8 0 "[ . 1 . 2]" 1
354 1 43 PHE HZ 1 74 LEU MD1 . . 5.000 4.564 4.248 4.965 . 0 0 "[ . 1 . 2]" 1
355 1 44 ALA HA 1 45 VAL H . . 3.300 3.028 2.998 3.044 . 0 0 "[ . 1 . 2]" 1
356 1 45 VAL H 1 45 VAL HB . . 2.700 2.623 2.617 2.626 . 0 0 "[ . 1 . 2]" 1
357 1 45 VAL H 1 45 VAL MG2 . . 2.700 2.705 2.702 2.707 0.007 7 0 "[ . 1 . 2]" 1
358 1 45 VAL HA 1 45 VAL MG1 . . 2.700 2.354 2.350 2.357 . 0 0 "[ . 1 . 2]" 1
359 1 45 VAL HA 1 45 VAL MG2 . . 2.700 2.433 2.431 2.434 . 0 0 "[ . 1 . 2]" 1
360 1 45 VAL HA 1 46 ASN H . . 2.700 2.147 2.143 2.161 . 0 0 "[ . 1 . 2]" 1
361 1 45 VAL MG1 1 46 ASN H . . 2.700 2.590 2.271 2.701 0.001 19 0 "[ . 1 . 2]" 1
362 1 45 VAL MG1 1 59 ILE HA . . 5.000 4.093 3.549 4.592 . 0 0 "[ . 1 . 2]" 1
363 1 45 VAL MG1 1 59 ILE MG . . 5.000 3.461 2.944 3.949 . 0 0 "[ . 1 . 2]" 1
364 1 45 VAL MG2 1 49 LEU MD1 . . 3.300 3.303 3.300 3.306 0.006 18 0 "[ . 1 . 2]" 1
365 1 45 VAL MG2 1 62 GLN QB . . 5.000 4.562 4.122 5.000 0.000 15 0 "[ . 1 . 2]" 1
366 1 46 ASN H 1 49 LEU MD1 . . 5.000 3.020 2.626 3.266 . 0 0 "[ . 1 . 2]" 1
367 1 46 ASN HA 1 47 PRO HD2 . . 2.700 2.256 2.234 2.269 . 0 0 "[ . 1 . 2]" 1
368 1 46 ASN HA 1 47 PRO HD3 . . 2.700 2.259 2.255 2.262 . 0 0 "[ . 1 . 2]" 1
369 1 46 ASN HA 1 48 GLY H . . 5.000 3.810 3.769 3.848 . 0 0 "[ . 1 . 2]" 1
370 1 46 ASN QB 1 48 GLY H . . 5.000 2.366 2.197 2.548 . 0 0 "[ . 1 . 2]" 1
371 1 46 ASN QB 1 49 LEU H . . 5.000 3.605 3.285 3.908 . 0 0 "[ . 1 . 2]" 1
372 1 46 ASN QB 1 49 LEU MD1 . . 5.000 3.542 3.184 3.727 . 0 0 "[ . 1 . 2]" 1
373 1 47 PRO HA 1 49 LEU H . . 5.000 3.499 3.309 3.838 . 0 0 "[ . 1 . 2]" 1
374 1 47 PRO HA 1 50 LEU QB . . 5.000 4.137 3.816 5.001 0.001 18 0 "[ . 1 . 2]" 1
375 1 47 PRO HD2 1 48 GLY H . . 2.900 2.794 2.734 2.840 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLY H 1 49 LEU H . . 2.700 2.653 2.618 2.702 0.002 15 0 "[ . 1 . 2]" 1
377 1 48 GLY H 1 50 LEU H . . 5.000 4.381 4.271 4.795 . 0 0 "[ . 1 . 2]" 1
378 1 49 LEU H 1 49 LEU HB2 . . 2.700 2.529 2.460 2.603 . 0 0 "[ . 1 . 2]" 1
379 1 49 LEU H 1 49 LEU HG . . 2.700 2.352 2.148 2.701 0.001 14 0 "[ . 1 . 2]" 1
380 1 49 LEU H 1 50 LEU H . . 2.700 2.427 2.152 2.699 . 0 0 "[ . 1 . 2]" 1
381 1 49 LEU H 1 51 GLU H . . 5.000 4.085 3.835 4.452 . 0 0 "[ . 1 . 2]" 1
382 1 49 LEU HA 1 49 LEU MD2 . . 2.700 2.118 1.998 2.264 . 0 0 "[ . 1 . 2]" 1
383 1 49 LEU HA 1 49 LEU HG . . 3.300 3.270 3.188 3.301 0.001 17 0 "[ . 1 . 2]" 1
384 1 49 LEU HA 1 52 THR H . . 5.000 3.816 3.617 4.102 . 0 0 "[ . 1 . 2]" 1
385 1 49 LEU HA 1 55 GLY HA3 . . 3.300 2.950 2.427 3.145 . 0 0 "[ . 1 . 2]" 1
386 1 49 LEU MD2 1 55 GLY HA2 . . 3.300 3.164 2.439 3.300 0.000 3 0 "[ . 1 . 2]" 1
387 1 49 LEU MD2 1 55 GLY HA3 . . 3.300 2.803 2.348 3.094 . 0 0 "[ . 1 . 2]" 1
388 1 50 LEU H 1 50 LEU HG . . 2.700 2.477 2.199 2.701 0.001 18 0 "[ . 1 . 2]" 1
389 1 50 LEU H 1 51 GLU H . . 2.700 2.524 1.901 2.638 . 0 0 "[ . 1 . 2]" 1
390 1 50 LEU H 1 52 THR H . . 5.000 4.161 3.490 4.305 . 0 0 "[ . 1 . 2]" 1
391 1 50 LEU HA 1 50 LEU MD2 . . 2.700 2.308 1.970 2.621 . 0 0 "[ . 1 . 2]" 1
392 1 50 LEU HA 1 50 LEU HG . . 3.300 2.905 2.564 3.072 . 0 0 "[ . 1 . 2]" 1
393 1 50 LEU HA 1 56 CYS HA . . 5.000 4.048 3.383 4.632 . 0 0 "[ . 1 . 2]" 1
394 1 50 LEU HA 1 59 ILE MD . . 3.300 3.297 3.287 3.300 0.000 2 0 "[ . 1 . 2]" 1
395 1 50 LEU MD1 1 84 LEU MD2 . . 5.000 3.369 2.952 4.019 . 0 0 "[ . 1 . 2]" 1
396 1 50 LEU MD2 1 56 CYS HA . . 5.000 3.922 3.038 4.762 . 0 0 "[ . 1 . 2]" 1
397 1 50 LEU MD2 1 59 ILE MD . . 3.300 2.415 1.931 3.280 . 0 0 "[ . 1 . 2]" 1
398 1 50 LEU MD2 1 84 LEU MD2 . . 3.300 2.179 1.831 2.559 . 0 0 "[ . 1 . 2]" 1
399 1 50 LEU HG 1 59 ILE MD . . 5.000 3.080 2.734 3.538 . 0 0 "[ . 1 . 2]" 1
400 1 50 LEU O 1 88 HIS HE2 . . 2.000 1.989 1.907 2.001 0.001 20 0 "[ . 1 . 2]" 1
401 1 50 LEU O 1 88 HIS NE2 . . 3.000 2.810 2.798 2.892 . 0 0 "[ . 1 . 2]" 1
402 1 51 GLU H 1 52 THR H . . 2.700 2.641 2.525 2.707 0.007 10 0 "[ . 1 . 2]" 1
403 1 51 GLU HA 1 52 THR H . . 3.300 3.103 2.979 3.310 0.010 12 0 "[ . 1 . 2]" 1
404 1 51 GLU QG 1 52 THR MG . . 3.300 2.357 1.929 3.300 0.000 11 0 "[ . 1 . 2]" 1
405 1 52 THR H 1 52 THR MG . . 2.700 2.614 2.269 2.703 0.003 4 0 "[ . 1 . 2]" 1
406 1 52 THR H 1 54 GLU H . . 5.000 5.003 5.000 5.005 0.005 13 0 "[ . 1 . 2]" 1
407 1 52 THR H 1 55 GLY H . . 5.000 4.414 4.119 4.925 . 0 0 "[ . 1 . 2]" 1
408 1 52 THR H 1 56 CYS H . . 5.000 4.124 3.774 4.430 . 0 0 "[ . 1 . 2]" 1
409 1 52 THR HA 1 53 SER H . . 2.700 2.150 2.141 2.163 . 0 0 "[ . 1 . 2]" 1
410 1 52 THR HA 1 88 HIS HD2 . . 5.000 4.643 4.229 4.969 . 0 0 "[ . 1 . 2]" 1
411 1 52 THR MG 1 55 GLY H . . 5.000 3.587 2.245 3.925 . 0 0 "[ . 1 . 2]" 1
412 1 52 THR OG1 1 55 GLY H . . 2.000 1.993 1.937 2.003 0.003 19 0 "[ . 1 . 2]" 1
413 1 52 THR OG1 1 55 GLY N . . 3.000 2.812 2.749 2.973 . 0 0 "[ . 1 . 2]" 1
414 1 53 SER H 1 54 GLU H . . 2.900 2.688 2.660 2.711 . 0 0 "[ . 1 . 2]" 1
415 1 53 SER H 1 55 GLY H . . 5.000 4.461 4.329 4.577 . 0 0 "[ . 1 . 2]" 1
416 1 53 SER H 1 88 HIS HB3 . . 3.300 3.297 3.261 3.301 0.001 7 0 "[ . 1 . 2]" 1
417 1 53 SER H 1 88 HIS HD2 . . 5.000 4.223 3.799 4.551 . 0 0 "[ . 1 . 2]" 1
418 1 53 SER HA 1 56 CYS H . . 5.000 3.963 3.790 4.113 . 0 0 "[ . 1 . 2]" 1
419 1 53 SER HA 1 85 TYR QD . . 3.300 3.273 3.023 3.297 . 0 0 "[ . 1 . 2]" 1
420 1 53 SER HA 1 85 TYR QE . . 5.000 4.010 3.758 4.289 . 0 0 "[ . 1 . 2]" 1
421 1 53 SER HA 1 88 HIS HB2 . . 3.300 2.640 2.331 3.003 . 0 0 "[ . 1 . 2]" 1
422 1 53 SER HA 1 88 HIS HB3 . . 5.000 2.811 2.443 3.241 . 0 0 "[ . 1 . 2]" 1
423 1 53 SER HA 1 88 HIS HD2 . . 3.300 3.012 2.613 3.301 0.001 8 0 "[ . 1 . 2]" 1
424 1 53 SER QB 1 85 TYR QD . . 5.000 4.291 3.801 4.955 . 0 0 "[ . 1 . 2]" 1
425 1 53 SER QB 1 85 TYR QE . . 5.000 3.925 3.345 4.669 . 0 0 "[ . 1 . 2]" 1
426 1 54 GLU H 1 55 GLY H . . 2.900 2.473 2.383 2.568 . 0 0 "[ . 1 . 2]" 1
427 1 54 GLU H 1 56 CYS H . . 5.000 4.034 3.539 4.266 . 0 0 "[ . 1 . 2]" 1
428 1 54 GLU HA 1 57 ARG H . . 5.000 3.600 3.268 3.704 . 0 0 "[ . 1 . 2]" 1
429 1 54 GLU HA 1 57 ARG QB . . 3.300 2.964 2.554 3.301 0.001 19 0 "[ . 1 . 2]" 1
430 1 55 GLY H 1 56 CYS H . . 2.900 2.837 2.712 2.900 . 15 0 "[ . 1 . 2]" 1
431 1 55 GLY H 1 57 ARG H . . 5.000 4.315 4.081 4.576 . 0 0 "[ . 1 . 2]" 1
432 1 55 GLY HA2 1 58 GLN H . . 5.000 3.497 3.292 3.814 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLY HA2 1 58 GLN QB . . 3.300 2.903 2.541 3.297 . 0 0 "[ . 1 . 2]" 1
434 1 56 CYS H 1 57 ARG H . . 2.900 2.751 2.504 2.882 . 0 0 "[ . 1 . 2]" 1
435 1 56 CYS H 1 58 GLN H . . 5.000 4.257 4.052 4.534 . 0 0 "[ . 1 . 2]" 1
436 1 56 CYS HA 1 59 ILE H . . 5.000 3.419 3.260 3.676 . 0 0 "[ . 1 . 2]" 1
437 1 56 CYS HA 1 59 ILE HB . . 5.000 2.866 2.534 3.523 . 0 0 "[ . 1 . 2]" 1
438 1 56 CYS HB2 1 85 TYR QD . . 2.700 2.433 2.053 2.699 . 0 0 "[ . 1 . 2]" 1
439 1 56 CYS HB2 1 88 HIS HD2 . . 5.000 3.475 2.953 4.106 . 0 0 "[ . 1 . 2]" 1
440 1 56 CYS HB3 1 85 TYR H . . 5.000 4.264 3.964 4.757 . 0 0 "[ . 1 . 2]" 1
441 1 57 ARG H 1 58 GLN H . . 2.900 2.721 2.556 2.872 . 0 0 "[ . 1 . 2]" 1
442 1 57 ARG H 1 59 ILE H . . 5.000 4.187 3.998 4.426 . 0 0 "[ . 1 . 2]" 1
443 1 57 ARG H 1 85 TYR QD . . 3.300 3.267 3.147 3.295 . 0 0 "[ . 1 . 2]" 1
444 1 57 ARG H 1 85 TYR QE . . 5.000 3.460 3.235 3.586 . 0 0 "[ . 1 . 2]" 1
445 1 57 ARG HA 1 60 LEU H . . 5.000 3.658 3.414 3.938 . 0 0 "[ . 1 . 2]" 1
446 1 57 ARG HA 1 60 LEU HB3 . . 5.000 4.716 4.395 4.980 . 0 0 "[ . 1 . 2]" 1
447 1 57 ARG HA 1 61 GLY H . . 5.000 4.363 3.819 4.861 . 0 0 "[ . 1 . 2]" 1
448 1 57 ARG HA 1 85 TYR QD . . 5.000 4.028 3.716 4.373 . 0 0 "[ . 1 . 2]" 1
449 1 57 ARG HA 1 85 TYR QE . . 5.000 3.889 3.542 4.249 . 0 0 "[ . 1 . 2]" 1
450 1 58 GLN H 1 59 ILE H . . 2.900 2.602 2.489 2.720 . 0 0 "[ . 1 . 2]" 1
451 1 58 GLN H 1 60 LEU H . . 5.000 4.178 3.884 4.651 . 0 0 "[ . 1 . 2]" 1
452 1 58 GLN HA 1 61 GLY H . . 5.000 3.417 3.199 3.694 . 0 0 "[ . 1 . 2]" 1
453 1 59 ILE H 1 59 ILE HB . . 2.700 2.565 2.508 2.626 . 0 0 "[ . 1 . 2]" 1
454 1 59 ILE H 1 59 ILE MD . . 5.000 3.314 2.840 3.502 . 0 0 "[ . 1 . 2]" 1
455 1 59 ILE H 1 60 LEU H . . 2.900 2.694 2.468 2.880 . 0 0 "[ . 1 . 2]" 1
456 1 59 ILE H 1 61 GLY H . . 5.000 3.965 3.787 4.066 . 0 0 "[ . 1 . 2]" 1
457 1 59 ILE HA 1 62 GLN H . . 5.000 3.739 3.609 3.911 . 0 0 "[ . 1 . 2]" 1
458 1 59 ILE HA 1 62 GLN QB . . 3.300 3.293 3.220 3.301 0.001 13 0 "[ . 1 . 2]" 1
459 1 59 ILE HB 1 60 LEU H . . 2.700 2.592 2.119 2.700 0.000 3 0 "[ . 1 . 2]" 1
460 1 59 ILE MG 1 60 LEU H . . 5.000 3.447 3.039 3.536 . 0 0 "[ . 1 . 2]" 1
461 1 59 ILE MG 1 63 LEU MD1 . . 3.300 2.281 1.925 2.543 . 0 0 "[ . 1 . 2]" 1
462 1 59 ILE MG 1 63 LEU HG . . 3.300 3.144 2.800 3.299 . 0 0 "[ . 1 . 2]" 1
463 1 60 LEU H 1 60 LEU HG . . 2.700 2.363 2.051 2.576 . 0 0 "[ . 1 . 2]" 1
464 1 60 LEU H 1 61 GLY H . . 2.900 2.538 2.425 2.763 . 0 0 "[ . 1 . 2]" 1
465 1 60 LEU H 1 62 GLN H . . 5.000 4.164 3.980 4.329 . 0 0 "[ . 1 . 2]" 1
466 1 60 LEU H 1 81 ILE MG . . 5.000 3.352 3.107 3.617 . 0 0 "[ . 1 . 2]" 1
467 1 60 LEU HA 1 60 LEU MD2 . . 2.700 2.368 2.011 2.642 . 0 0 "[ . 1 . 2]" 1
468 1 60 LEU HA 1 63 LEU H . . 5.000 3.132 2.945 3.265 . 0 0 "[ . 1 . 2]" 1
469 1 60 LEU HA 1 63 LEU HB3 . . 5.000 4.137 3.610 4.462 . 0 0 "[ . 1 . 2]" 1
470 1 60 LEU HA 1 63 LEU MD1 . . 3.300 2.906 2.493 3.300 . 0 0 "[ . 1 . 2]" 1
471 1 60 LEU HA 1 78 TYR HD1 . . 3.300 3.008 2.530 3.251 . 0 0 "[ . 1 . 2]" 1
472 1 60 LEU HA 1 78 TYR HE1 . . 3.300 2.845 2.597 3.298 . 0 0 "[ . 1 . 2]" 1
473 1 60 LEU HB2 1 61 GLY H . . 3.300 2.857 2.636 2.971 . 0 0 "[ . 1 . 2]" 1
474 1 60 LEU MD1 1 82 ALA HA . . 3.300 2.871 2.249 3.168 . 0 0 "[ . 1 . 2]" 1
475 1 60 LEU MD1 1 82 ALA MB . . 5.000 3.767 3.295 4.069 . 0 0 "[ . 1 . 2]" 1
476 1 60 LEU MD1 1 85 TYR HB2 . . 5.000 2.507 2.126 2.902 . 0 0 "[ . 1 . 2]" 1
477 1 60 LEU MD1 1 85 TYR HB3 . . 5.000 2.826 2.604 3.151 . 0 0 "[ . 1 . 2]" 1
478 1 60 LEU MD1 1 103 ILE MD . . 5.000 2.290 1.967 2.693 . 0 0 "[ . 1 . 2]" 1
479 1 60 LEU MD2 1 78 TYR HA . . 5.000 2.704 2.442 3.004 . 0 0 "[ . 1 . 2]" 1
480 1 60 LEU MD2 1 78 TYR HD1 . . 5.000 2.586 2.372 2.815 . 0 0 "[ . 1 . 2]" 1
481 1 60 LEU MD2 1 78 TYR HE1 . . 5.000 2.627 2.434 2.824 . 0 0 "[ . 1 . 2]" 1
482 1 60 LEU MD2 1 81 ILE HB . . 3.300 2.311 2.031 2.808 . 0 0 "[ . 1 . 2]" 1
483 1 60 LEU MD2 1 81 ILE MG . . 3.300 2.065 1.905 2.397 . 0 0 "[ . 1 . 2]" 1
484 1 60 LEU MD2 1 82 ALA H . . 3.300 3.147 2.790 3.299 . 0 0 "[ . 1 . 2]" 1
485 1 60 LEU MD2 1 82 ALA HA . . 5.000 2.648 2.092 3.074 . 0 0 "[ . 1 . 2]" 1
486 1 60 LEU MD2 1 82 ALA MB . . 5.000 2.863 2.050 3.259 . 0 0 "[ . 1 . 2]" 1
487 1 61 GLY H 1 62 GLN H . . 2.900 2.658 2.583 2.783 . 0 0 "[ . 1 . 2]" 1
488 1 61 GLY H 1 63 LEU H . . 5.000 4.035 3.901 4.151 . 0 0 "[ . 1 . 2]" 1
489 1 61 GLY QA 1 64 GLN H . . 5.000 3.564 3.404 3.851 . 0 0 "[ . 1 . 2]" 1
490 1 61 GLY QA 1 64 GLN HB2 . . 5.000 2.766 2.562 3.174 . 0 0 "[ . 1 . 2]" 1
491 1 62 GLN H 1 63 LEU H . . 2.900 2.256 2.042 2.391 . 0 0 "[ . 1 . 2]" 1
492 1 62 GLN H 1 64 GLN H . . 5.000 3.723 3.533 3.855 . 0 0 "[ . 1 . 2]" 1
493 1 63 LEU H 1 64 GLN H . . 2.900 2.325 2.237 2.446 . 0 0 "[ . 1 . 2]" 1
494 1 63 LEU HA 1 63 LEU MD2 . . 2.700 2.133 2.001 2.251 . 0 0 "[ . 1 . 2]" 1
495 1 63 LEU HA 1 63 LEU HG . . 3.300 2.979 2.706 3.238 . 0 0 "[ . 1 . 2]" 1
496 1 63 LEU HA 1 66 SER H . . 5.000 3.226 3.222 3.246 . 0 0 "[ . 1 . 2]" 1
497 1 63 LEU HA 1 74 LEU MD1 . . 5.000 3.683 2.773 4.750 . 0 0 "[ . 1 . 2]" 1
498 1 63 LEU MD1 1 77 LEU MD2 . . 5.000 4.106 2.870 4.274 . 0 0 "[ . 1 . 2]" 1
499 1 63 LEU MD1 1 77 LEU HG . . 3.300 3.201 3.045 3.301 0.001 10 0 "[ . 1 . 2]" 1
500 1 63 LEU MD1 1 78 TYR H . . 5.000 2.722 2.504 3.012 . 0 0 "[ . 1 . 2]" 1
501 1 63 LEU MD1 1 78 TYR HA . . 3.300 2.513 1.976 2.707 . 0 0 "[ . 1 . 2]" 1
502 1 63 LEU MD1 1 78 TYR HD1 . . 3.300 2.383 2.158 2.876 . 0 0 "[ . 1 . 2]" 1
503 1 63 LEU MD1 1 81 ILE MD . . 3.300 1.897 1.789 2.195 . 0 0 "[ . 1 . 2]" 1
504 1 63 LEU MD2 1 74 LEU MD1 . . 5.000 2.575 1.910 2.931 . 0 0 "[ . 1 . 2]" 1
505 1 63 LEU MD2 1 77 LEU MD2 . . 5.000 4.260 2.227 4.702 . 0 0 "[ . 1 . 2]" 1
506 1 64 GLN H 1 65 PRO HD2 . . 3.300 2.209 2.201 2.211 . 0 0 "[ . 1 . 2]" 1
507 1 64 GLN H 1 65 PRO HD3 . . 3.300 3.262 3.255 3.264 . 0 0 "[ . 1 . 2]" 1
508 1 64 GLN H 1 78 TYR HD1 . . 5.000 4.298 3.777 4.558 . 0 0 "[ . 1 . 2]" 1
509 1 64 GLN H 1 78 TYR HE1 . . 5.000 3.305 3.114 3.676 . 0 0 "[ . 1 . 2]" 1
510 1 64 GLN HA 1 66 SER H . . 5.000 4.126 4.107 4.196 . 0 0 "[ . 1 . 2]" 1
511 1 64 GLN HA 1 67 LEU H . . 5.000 3.912 3.778 4.420 . 0 0 "[ . 1 . 2]" 1
512 1 64 GLN HA 1 78 TYR HD1 . . 5.000 4.545 4.061 4.808 . 0 0 "[ . 1 . 2]" 1
513 1 64 GLN HA 1 78 TYR HE1 . . 3.300 3.294 3.277 3.300 0.000 4 0 "[ . 1 . 2]" 1
514 1 64 GLN QB 1 78 TYR HE1 . . 5.000 3.903 3.631 4.102 . 0 0 "[ . 1 . 2]" 1
515 1 64 GLN QG 1 78 TYR HE1 . . 5.000 2.514 2.002 2.918 . 0 0 "[ . 1 . 2]" 1
516 1 65 PRO HA 1 67 LEU H . . 5.000 4.027 3.625 4.141 . 0 0 "[ . 1 . 2]" 1
517 1 65 PRO HA 1 68 GLN H . . 5.000 4.208 3.934 4.998 . 0 0 "[ . 1 . 2]" 1
518 1 65 PRO HD2 1 66 SER H . . 3.300 2.723 2.697 2.731 . 0 0 "[ . 1 . 2]" 1
519 1 66 SER H 1 67 LEU H . . 2.900 2.428 2.342 2.715 . 0 0 "[ . 1 . 2]" 1
520 1 66 SER H 1 68 GLN H . . 5.000 4.334 4.133 4.917 . 0 0 "[ . 1 . 2]" 1
521 1 66 SER HA 1 68 GLN H . . 5.000 3.733 3.674 3.820 . 0 0 "[ . 1 . 2]" 1
522 1 66 SER HA 1 69 THR H . . 5.000 3.480 3.188 3.618 . 0 0 "[ . 1 . 2]" 1
523 1 66 SER QB 1 74 LEU MD1 . . 5.000 2.158 1.840 2.850 . 0 0 "[ . 1 . 2]" 1
524 1 66 SER QB 1 74 LEU MD2 . . 5.000 2.132 1.792 2.694 . 0 0 "[ . 1 . 2]" 1
525 1 67 LEU H 1 67 LEU HB2 . . 2.700 2.306 2.134 2.376 . 0 0 "[ . 1 . 2]" 1
526 1 67 LEU H 1 67 LEU HG . . 3.300 2.738 2.581 3.301 0.001 10 0 "[ . 1 . 2]" 1
527 1 67 LEU H 1 68 GLN H . . 2.900 2.681 2.358 2.767 . 0 0 "[ . 1 . 2]" 1
528 1 67 LEU H 1 69 THR H . . 5.000 4.470 3.872 4.662 . 0 0 "[ . 1 . 2]" 1
529 1 67 LEU HA 1 67 LEU MD2 . . 2.700 2.479 2.003 2.674 . 0 0 "[ . 1 . 2]" 1
530 1 67 LEU HA 1 69 THR H . . 5.000 4.358 4.039 4.919 . 0 0 "[ . 1 . 2]" 1
531 1 67 LEU HA 1 70 GLY H . . 5.000 3.443 3.124 4.187 . 0 0 "[ . 1 . 2]" 1
532 1 67 LEU HA 1 74 LEU MD2 . . 2.700 2.369 2.003 2.643 . 0 0 "[ . 1 . 2]" 1
533 1 67 LEU HB2 1 68 GLN H . . 3.300 2.928 2.847 3.027 . 0 0 "[ . 1 . 2]" 1
534 1 67 LEU MD1 1 78 TYR QE . . 2.700 2.671 2.605 2.700 0.000 1 0 "[ . 1 . 2]" 1
535 1 67 LEU MD2 1 74 LEU MD2 . . 3.300 2.737 1.925 3.076 . 0 0 "[ . 1 . 2]" 1
536 1 67 LEU MD2 1 75 ARG HA . . 3.300 3.020 2.741 3.299 . 0 0 "[ . 1 . 2]" 1
537 1 67 LEU MD2 1 75 ARG QG . . 3.300 2.994 2.660 3.267 . 0 0 "[ . 1 . 2]" 1
538 1 67 LEU MD2 1 78 TYR HB2 . . 3.300 2.996 2.751 3.155 . 0 0 "[ . 1 . 2]" 1
539 1 67 LEU MD2 1 78 TYR HB3 . . 3.300 2.895 2.539 3.080 . 0 0 "[ . 1 . 2]" 1
540 1 67 LEU MD2 1 78 TYR QD . . 2.700 2.687 2.634 2.700 . 0 0 "[ . 1 . 2]" 1
541 1 67 LEU HG 1 78 TYR HD1 . . 5.000 4.376 4.167 4.572 . 0 0 "[ . 1 . 2]" 1
542 1 67 LEU HG 1 78 TYR HE1 . . 5.000 4.942 4.570 5.001 0.001 8 0 "[ . 1 . 2]" 1
543 1 68 GLN H 1 69 THR H . . 2.900 2.770 2.429 2.869 . 0 0 "[ . 1 . 2]" 1
544 1 68 GLN H 1 70 GLY H . . 5.000 4.225 3.980 4.350 . 0 0 "[ . 1 . 2]" 1
545 1 68 GLN HA 1 70 GLY H . . 5.000 4.326 3.728 4.665 . 0 0 "[ . 1 . 2]" 1
546 1 68 GLN HB3 1 69 THR H . . 2.700 2.516 2.193 2.684 . 0 0 "[ . 1 . 2]" 1
547 1 69 THR H 1 70 GLY H . . 2.900 2.762 2.566 2.899 . 0 0 "[ . 1 . 2]" 1
548 1 70 GLY HA2 1 71 SER H . . 2.700 2.409 2.147 2.687 . 0 0 "[ . 1 . 2]" 1
549 1 70 GLY HA2 1 74 LEU MD2 . . 5.000 3.099 2.535 3.811 . 0 0 "[ . 1 . 2]" 1
550 1 70 GLY HA3 1 71 SER H . . 3.300 2.745 2.445 3.173 . 0 0 "[ . 1 . 2]" 1
551 1 70 GLY HA3 1 74 LEU MD2 . . 3.300 2.108 1.932 2.645 . 0 0 "[ . 1 . 2]" 1
552 1 71 SER H 1 71 SER HB3 . . 3.300 2.724 2.140 3.218 . 0 0 "[ . 1 . 2]" 1
553 1 71 SER H 1 74 LEU H . . 5.000 3.067 2.748 3.854 . 0 0 "[ . 1 . 2]" 1
554 1 71 SER H 1 74 LEU QB . . 5.000 2.079 1.905 2.512 . 0 0 "[ . 1 . 2]" 1
555 1 71 SER H 1 74 LEU MD2 . . 5.000 3.706 3.168 4.158 . 0 0 "[ . 1 . 2]" 1
556 1 71 SER HA 1 72 GLU H . . 2.700 2.682 2.610 2.699 . 0 0 "[ . 1 . 2]" 1
557 1 71 SER HB2 1 72 GLU H . . 2.700 2.175 1.972 2.515 . 0 0 "[ . 1 . 2]" 1
558 1 71 SER HB2 1 73 GLU H . . 5.000 3.693 3.395 4.083 . 0 0 "[ . 1 . 2]" 1
559 1 72 GLU H 1 73 GLU H . . 2.900 2.805 2.717 2.872 . 0 0 "[ . 1 . 2]" 1
560 1 72 GLU H 1 74 LEU H . . 5.000 4.343 4.038 4.590 . 0 0 "[ . 1 . 2]" 1
561 1 72 GLU H 1 75 ARG H . . 5.000 4.853 4.706 4.957 . 0 0 "[ . 1 . 2]" 1
562 1 72 GLU HA 1 75 ARG H . . 5.000 3.627 3.251 3.874 . 0 0 "[ . 1 . 2]" 1
563 1 72 GLU HA 1 75 ARG QB . . 3.300 2.756 2.442 3.012 . 0 0 "[ . 1 . 2]" 1
564 1 73 GLU H 1 74 LEU H . . 2.900 2.714 2.547 2.868 . 0 0 "[ . 1 . 2]" 1
565 1 73 GLU H 1 75 ARG H . . 5.000 4.187 3.885 4.505 . 0 0 "[ . 1 . 2]" 1
566 1 73 GLU HA 1 76 SER H . . 5.000 3.706 3.494 3.932 . 0 0 "[ . 1 . 2]" 1
567 1 73 GLU HA 1 76 SER QB . . 5.000 2.928 2.616 3.797 . 0 0 "[ . 1 . 2]" 1
568 1 74 LEU H 1 74 LEU QB . . 2.700 2.138 2.026 2.257 . 0 0 "[ . 1 . 2]" 1
569 1 74 LEU H 1 75 ARG H . . 2.900 2.719 2.400 2.884 . 0 0 "[ . 1 . 2]" 1
570 1 74 LEU H 1 76 SER H . . 5.000 4.394 4.097 4.690 . 0 0 "[ . 1 . 2]" 1
571 1 74 LEU H 1 77 LEU H . . 5.000 4.894 4.757 4.978 . 0 0 "[ . 1 . 2]" 1
572 1 74 LEU HA 1 77 LEU H . . 5.000 3.636 3.487 3.784 . 0 0 "[ . 1 . 2]" 1
573 1 74 LEU HA 1 77 LEU QB . . 3.300 2.686 2.455 2.989 . 0 0 "[ . 1 . 2]" 1
574 1 74 LEU HA 1 78 TYR H . . 5.000 4.255 3.941 4.467 . 0 0 "[ . 1 . 2]" 1
575 1 74 LEU HG 1 78 TYR H . . 5.000 4.820 4.093 5.000 . 0 0 "[ . 1 . 2]" 1
576 1 75 ARG H 1 76 SER H . . 2.900 2.790 2.507 2.899 . 0 0 "[ . 1 . 2]" 1
577 1 75 ARG H 1 77 LEU H . . 5.000 4.127 3.846 4.480 . 0 0 "[ . 1 . 2]" 1
578 1 75 ARG H 1 78 TYR H . . 5.000 4.994 4.975 5.001 0.001 8 0 "[ . 1 . 2]" 1
579 1 75 ARG HA 1 78 TYR H . . 5.000 3.680 3.586 3.891 . 0 0 "[ . 1 . 2]" 1
580 1 75 ARG HA 1 78 TYR QB . . 3.300 3.107 2.876 3.292 . 0 0 "[ . 1 . 2]" 1
581 1 75 ARG HA 1 79 ASN H . . 5.000 4.361 3.950 4.610 . 0 0 "[ . 1 . 2]" 1
582 1 76 SER H 1 77 LEU H . . 2.900 2.794 2.708 2.898 . 0 0 "[ . 1 . 2]" 1
583 1 76 SER H 1 78 TYR H . . 5.000 4.657 4.518 4.988 . 0 0 "[ . 1 . 2]" 1
584 1 76 SER H 1 79 ASN H . . 5.000 4.864 4.736 4.997 . 0 0 "[ . 1 . 2]" 1
585 1 76 SER HA 1 79 ASN H . . 5.000 3.607 3.518 3.776 . 0 0 "[ . 1 . 2]" 1
586 1 76 SER HA 1 79 ASN QB . . 3.300 2.552 2.344 2.813 . 0 0 "[ . 1 . 2]" 1
587 1 77 LEU H 1 78 TYR H . . 2.900 2.860 2.800 2.898 . 0 0 "[ . 1 . 2]" 1
588 1 77 LEU H 1 79 ASN H . . 5.000 3.893 3.639 3.960 . 0 0 "[ . 1 . 2]" 1
589 1 77 LEU HA 1 77 LEU MD1 . . 2.700 2.065 2.043 2.133 . 0 0 "[ . 1 . 2]" 1
590 1 77 LEU HA 1 80 THR H . . 5.000 3.600 3.430 3.791 . 0 0 "[ . 1 . 2]" 1
591 1 77 LEU HA 1 80 THR HB . . 3.300 3.265 3.081 3.300 . 0 0 "[ . 1 . 2]" 1
592 1 77 LEU HB2 1 78 TYR H . . 2.700 2.695 2.678 2.701 0.001 17 0 "[ . 1 . 2]" 1
593 1 77 LEU HB3 1 78 TYR H . . 2.700 2.658 2.264 2.701 0.001 6 0 "[ . 1 . 2]" 1
594 1 77 LEU MD1 1 81 ILE MD . . 3.300 1.950 1.846 3.290 . 0 0 "[ . 1 . 2]" 1
595 1 77 LEU HG 1 81 ILE MD . . 3.300 3.229 1.996 3.300 0.000 8 0 "[ . 1 . 2]" 1
596 1 78 TYR H 1 79 ASN H . . 2.900 2.748 2.709 2.770 . 0 0 "[ . 1 . 2]" 1
597 1 78 TYR H 1 80 THR H . . 5.000 4.687 4.338 4.832 . 0 0 "[ . 1 . 2]" 1
598 1 78 TYR HA 1 81 ILE H . . 5.000 4.001 3.758 4.151 . 0 0 "[ . 1 . 2]" 1
599 1 78 TYR HA 1 81 ILE HB . . 5.000 2.787 2.688 2.958 . 0 0 "[ . 1 . 2]" 1
600 1 78 TYR HD2 1 82 ALA MB . . 5.000 4.139 3.821 4.349 . 0 0 "[ . 1 . 2]" 1
601 1 78 TYR HD2 1 100 LEU MD2 . . 3.300 2.183 1.940 2.776 . 0 0 "[ . 1 . 2]" 1
602 1 78 TYR HE2 1 82 ALA MB . . 5.000 4.430 3.898 4.815 . 0 0 "[ . 1 . 2]" 1
603 1 78 TYR HE2 1 100 LEU MD2 . . 3.300 2.286 1.931 3.172 . 0 0 "[ . 1 . 2]" 1
604 1 79 ASN H 1 80 THR H . . 2.900 2.724 2.534 2.791 . 0 0 "[ . 1 . 2]" 1
605 1 79 ASN H 1 81 ILE H . . 5.000 4.167 3.968 4.249 . 0 0 "[ . 1 . 2]" 1
606 1 79 ASN HA 1 82 ALA H . . 5.000 3.818 3.594 4.093 . 0 0 "[ . 1 . 2]" 1
607 1 79 ASN HA 1 82 ALA MB . . 3.300 2.762 2.559 3.033 . 0 0 "[ . 1 . 2]" 1
608 1 79 ASN HA 1 83 VAL H . . 5.000 4.436 4.052 4.862 . 0 0 "[ . 1 . 2]" 1
609 1 79 ASN HA 1 96 THR MG . . 5.000 2.194 1.929 2.443 . 0 0 "[ . 1 . 2]" 1
610 1 79 ASN HA 1 100 LEU MD2 . . 3.300 3.025 2.289 3.282 . 0 0 "[ . 1 . 2]" 1
611 1 79 ASN QB 1 96 THR MG . . 3.300 2.322 1.888 3.282 . 0 0 "[ . 1 . 2]" 1
612 1 80 THR H 1 80 THR HB . . 2.700 2.617 2.537 2.675 . 0 0 "[ . 1 . 2]" 1
613 1 80 THR H 1 81 ILE H . . 2.900 2.779 2.515 2.885 . 0 0 "[ . 1 . 2]" 1
614 1 80 THR H 1 82 ALA H . . 5.000 3.979 3.708 4.187 . 0 0 "[ . 1 . 2]" 1
615 1 80 THR HA 1 80 THR MG . . 2.700 2.397 2.371 2.410 . 0 0 "[ . 1 . 2]" 1
616 1 80 THR HA 1 83 VAL H . . 5.000 3.631 3.452 3.766 . 0 0 "[ . 1 . 2]" 1
617 1 80 THR HA 1 83 VAL HB . . 3.300 3.284 3.197 3.301 0.001 13 0 "[ . 1 . 2]" 1
618 1 80 THR HB 1 81 ILE H . . 2.700 2.323 2.275 2.495 . 0 0 "[ . 1 . 2]" 1
619 1 81 ILE H 1 81 ILE HB . . 2.700 2.600 2.560 2.609 . 0 0 "[ . 1 . 2]" 1
620 1 81 ILE H 1 82 ALA H . . 2.900 2.756 2.618 2.806 . 0 0 "[ . 1 . 2]" 1
621 1 81 ILE HA 1 81 ILE MG . . 2.700 2.376 2.322 2.393 . 0 0 "[ . 1 . 2]" 1
622 1 81 ILE HA 1 84 LEU H . . 5.000 3.656 3.135 3.971 . 0 0 "[ . 1 . 2]" 1
623 1 81 ILE HA 1 84 LEU QB . . 3.300 2.727 2.402 3.009 . 0 0 "[ . 1 . 2]" 1
624 1 81 ILE HA 1 85 TYR H . . 5.000 3.807 3.488 4.291 . 0 0 "[ . 1 . 2]" 1
625 1 81 ILE HB 1 82 ALA H . . 3.300 2.818 2.591 2.994 . 0 0 "[ . 1 . 2]" 1
626 1 82 ALA H 1 83 VAL H . . 2.900 2.791 2.670 2.898 . 0 0 "[ . 1 . 2]" 1
627 1 82 ALA H 1 84 LEU H . . 5.000 3.991 3.815 4.226 . 0 0 "[ . 1 . 2]" 1
628 1 82 ALA HA 1 85 TYR H . . 5.000 3.740 3.510 4.057 . 0 0 "[ . 1 . 2]" 1
629 1 82 ALA HA 1 85 TYR QB . . 3.300 2.893 2.630 3.228 . 0 0 "[ . 1 . 2]" 1
630 1 82 ALA HA 1 103 ILE MD . . 2.700 2.473 2.128 2.659 . 0 0 "[ . 1 . 2]" 1
631 1 82 ALA MB 1 99 ALA MB . . 5.000 2.333 1.950 3.007 . 0 0 "[ . 1 . 2]" 1
632 1 82 ALA MB 1 100 LEU HA . . 5.000 3.326 2.888 3.778 . 0 0 "[ . 1 . 2]" 1
633 1 82 ALA MB 1 100 LEU MD2 . . 2.700 2.201 1.827 2.685 . 0 0 "[ . 1 . 2]" 1
634 1 82 ALA MB 1 103 ILE MD . . 3.300 2.466 2.187 3.290 . 0 0 "[ . 1 . 2]" 1
635 1 83 VAL H 1 83 VAL HB . . 2.700 2.585 2.516 2.629 . 0 0 "[ . 1 . 2]" 1
636 1 83 VAL H 1 83 VAL MG2 . . 3.300 2.246 2.177 2.409 . 0 0 "[ . 1 . 2]" 1
637 1 83 VAL H 1 84 LEU H . . 2.900 2.723 2.316 2.884 . 0 0 "[ . 1 . 2]" 1
638 1 83 VAL H 1 85 TYR H . . 5.000 4.416 4.019 4.692 . 0 0 "[ . 1 . 2]" 1
639 1 83 VAL H 1 99 ALA MB . . 5.000 3.608 3.391 4.000 . 0 0 "[ . 1 . 2]" 1
640 1 83 VAL HA 1 83 VAL MG1 . . 2.700 2.381 2.339 2.400 . 0 0 "[ . 1 . 2]" 1
641 1 83 VAL HA 1 83 VAL MG2 . . 2.700 2.302 2.279 2.345 . 0 0 "[ . 1 . 2]" 1
642 1 83 VAL HA 1 86 CYS H . . 5.000 3.787 3.611 3.971 . 0 0 "[ . 1 . 2]" 1
643 1 83 VAL HA 1 86 CYS QB . . 3.300 2.852 2.504 3.081 . 0 0 "[ . 1 . 2]" 1
644 1 83 VAL HA 1 93 VAL MG2 . . 5.000 3.152 2.819 3.475 . 0 0 "[ . 1 . 2]" 1
645 1 83 VAL HA 1 99 ALA MB . . 2.700 2.559 2.356 2.696 . 0 0 "[ . 1 . 2]" 1
646 1 83 VAL HB 1 84 LEU H . . 2.700 2.643 2.292 2.700 0.000 10 0 "[ . 1 . 2]" 1
647 1 83 VAL MG1 1 87 VAL MG2 . . 5.000 2.706 2.275 3.061 . 0 0 "[ . 1 . 2]" 1
648 1 83 VAL MG1 1 93 VAL MG2 . . 5.000 2.781 2.516 3.007 . 0 0 "[ . 1 . 2]" 1
649 1 83 VAL MG2 1 96 THR HA . . 2.700 2.066 1.908 2.437 . 0 0 "[ . 1 . 2]" 1
650 1 83 VAL MG2 1 99 ALA MB . . 3.300 2.536 2.348 2.711 . 0 0 "[ . 1 . 2]" 1
651 1 84 LEU H 1 84 LEU HB2 . . 2.700 2.214 2.041 2.383 . 0 0 "[ . 1 . 2]" 1
652 1 84 LEU H 1 85 TYR H . . 2.900 2.737 2.630 2.899 . 0 0 "[ . 1 . 2]" 1
653 1 84 LEU H 1 86 CYS H . . 5.000 4.274 4.030 4.674 . 0 0 "[ . 1 . 2]" 1
654 1 84 LEU HA 1 84 LEU MD1 . . 3.300 2.517 1.980 3.301 0.001 19 0 "[ . 1 . 2]" 1
655 1 84 LEU HA 1 87 VAL H . . 5.000 3.558 3.438 3.650 . 0 0 "[ . 1 . 2]" 1
656 1 84 LEU HA 1 87 VAL HB . . 3.300 3.117 2.858 3.300 . 0 0 "[ . 1 . 2]" 1
657 1 84 LEU HA 1 88 HIS H . . 5.000 4.561 4.043 4.816 . 0 0 "[ . 1 . 2]" 1
658 1 84 LEU HB3 1 85 TYR H . . 3.300 2.396 2.179 2.830 . 0 0 "[ . 1 . 2]" 1
659 1 84 LEU MD2 1 88 HIS HD2 . . 5.000 3.358 2.768 4.074 . 0 0 "[ . 1 . 2]" 1
660 1 84 LEU MD2 1 88 HIS HE1 . . 5.000 4.171 3.633 4.748 . 0 0 "[ . 1 . 2]" 1
661 1 84 LEU HG 1 87 VAL MG1 . . 5.000 4.797 4.480 5.001 0.001 10 0 "[ . 1 . 2]" 1
662 1 84 LEU HG 1 88 HIS HD2 . . 5.000 4.056 3.197 4.998 . 0 0 "[ . 1 . 2]" 1
663 1 85 TYR H 1 85 TYR HB2 . . 2.700 2.612 2.566 2.686 . 0 0 "[ . 1 . 2]" 1
664 1 85 TYR H 1 85 TYR HB3 . . 2.700 2.453 2.390 2.496 . 0 0 "[ . 1 . 2]" 1
665 1 85 TYR H 1 86 CYS H . . 2.900 2.861 2.802 2.899 . 0 0 "[ . 1 . 2]" 1
666 1 85 TYR H 1 87 VAL H . . 5.000 4.188 3.863 4.562 . 0 0 "[ . 1 . 2]" 1
667 1 85 TYR HA 1 88 HIS H . . 5.000 3.411 3.222 3.626 . 0 0 "[ . 1 . 2]" 1
668 1 85 TYR HA 1 88 HIS QB . . 3.300 2.910 2.427 3.209 . 0 0 "[ . 1 . 2]" 1
669 1 85 TYR HA 1 88 HIS HD2 . . 3.300 3.235 2.980 3.301 0.001 4 0 "[ . 1 . 2]" 1
670 1 85 TYR HA 1 89 GLN H . . 5.000 4.482 4.129 4.874 . 0 0 "[ . 1 . 2]" 1
671 1 85 TYR HB3 1 86 CYS H . . 2.700 2.471 2.298 2.693 . 0 0 "[ . 1 . 2]" 1
672 1 85 TYR QD 1 86 CYS H . . 3.300 3.198 2.985 3.270 . 0 0 "[ . 1 . 2]" 1
673 1 85 TYR QD 1 89 GLN H . . 5.000 4.920 4.667 5.001 0.001 6 0 "[ . 1 . 2]" 1
674 1 85 TYR QD 1 103 ILE MD . . 2.700 2.383 1.986 2.692 . 0 0 "[ . 1 . 2]" 1
675 1 86 CYS H 1 87 VAL H . . 2.900 2.784 2.655 2.902 0.002 8 0 "[ . 1 . 2]" 1
676 1 86 CYS H 1 88 HIS H . . 5.000 4.318 4.021 4.484 . 0 0 "[ . 1 . 2]" 1
677 1 86 CYS H 1 103 ILE MD . . 5.000 3.787 3.290 4.174 . 0 0 "[ . 1 . 2]" 1
678 1 86 CYS HA 1 89 GLN H . . 5.000 3.391 3.136 3.752 . 0 0 "[ . 1 . 2]" 1
679 1 86 CYS HA 1 89 GLN QB . . 3.300 2.725 2.482 3.186 . 0 0 "[ . 1 . 2]" 1
680 1 86 CYS HA 1 91 ILE H . . 5.000 3.855 3.547 4.173 . 0 0 "[ . 1 . 2]" 1
681 1 86 CYS HA 1 91 ILE HB . . 2.700 2.665 2.591 2.700 . 0 0 "[ . 1 . 2]" 1
682 1 86 CYS HA 1 91 ILE MD . . 3.300 2.293 1.980 2.737 . 0 0 "[ . 1 . 2]" 1
683 1 86 CYS HA 1 103 ILE MD . . 5.000 4.641 3.979 4.985 . 0 0 "[ . 1 . 2]" 1
684 1 86 CYS HB2 1 99 ALA MB . . 5.000 3.058 2.613 3.627 . 0 0 "[ . 1 . 2]" 1
685 1 86 CYS HB3 1 91 ILE H . . 5.000 4.128 3.824 4.398 . 0 0 "[ . 1 . 2]" 1
686 1 86 CYS HB3 1 91 ILE HB . . 2.700 2.072 1.999 2.310 . 0 0 "[ . 1 . 2]" 1
687 1 86 CYS HB3 1 91 ILE MD . . 5.000 3.431 3.194 3.693 . 0 0 "[ . 1 . 2]" 1
688 1 86 CYS HB3 1 91 ILE MG . . 5.000 2.680 2.421 3.027 . 0 0 "[ . 1 . 2]" 1
689 1 86 CYS HB3 1 93 VAL MG1 . . 3.300 3.135 2.363 3.299 . 0 0 "[ . 1 . 2]" 1
690 1 87 VAL H 1 87 VAL HB . . 2.700 2.577 2.523 2.647 . 0 0 "[ . 1 . 2]" 1
691 1 87 VAL H 1 87 VAL MG2 . . 2.700 2.200 2.131 2.291 . 0 0 "[ . 1 . 2]" 1
692 1 87 VAL H 1 88 HIS H . . 2.900 2.660 2.495 2.807 . 0 0 "[ . 1 . 2]" 1
693 1 87 VAL H 1 89 GLN H . . 5.000 3.954 3.791 4.267 . 0 0 "[ . 1 . 2]" 1
694 1 87 VAL HA 1 87 VAL MG1 . . 2.700 2.282 2.208 2.378 . 0 0 "[ . 1 . 2]" 1
695 1 87 VAL HA 1 87 VAL MG2 . . 2.700 2.378 2.339 2.412 . 0 0 "[ . 1 . 2]" 1
696 1 87 VAL HA 1 90 ARG H . . 5.000 4.415 4.133 4.635 . 0 0 "[ . 1 . 2]" 1
697 1 87 VAL HB 1 88 HIS H . . 2.700 2.593 2.385 2.701 0.001 7 0 "[ . 1 . 2]" 1
698 1 88 HIS H 1 89 GLN H . . 2.900 2.611 2.466 2.892 . 0 0 "[ . 1 . 2]" 1
699 1 88 HIS H 1 90 ARG H . . 5.000 4.701 4.376 5.001 0.001 17 0 "[ . 1 . 2]" 1
700 1 88 HIS HB2 1 88 HIS HD2 . . 3.300 2.800 2.721 2.876 . 0 0 "[ . 1 . 2]" 1
701 1 89 GLN H 1 90 ARG H . . 2.900 2.773 2.619 2.900 . 0 0 "[ . 1 . 2]" 1
702 1 89 GLN H 1 91 ILE H . . 5.000 3.799 3.054 4.614 . 0 0 "[ . 1 . 2]" 1
703 1 89 GLN HB3 1 91 ILE MD . . 3.300 2.542 2.210 3.057 . 0 0 "[ . 1 . 2]" 1
704 1 90 ARG H 1 91 ILE H . . 2.700 2.307 1.899 2.701 0.001 6 0 "[ . 1 . 2]" 1
705 1 91 ILE H 1 91 ILE HB . . 2.700 2.652 2.610 2.701 0.001 8 0 "[ . 1 . 2]" 1
706 1 91 ILE H 1 91 ILE MD . . 5.000 3.089 1.962 4.079 . 0 0 "[ . 1 . 2]" 1
707 1 91 ILE HA 1 92 ASP H . . 2.700 2.172 2.139 2.251 . 0 0 "[ . 1 . 2]" 1
708 1 91 ILE MG 1 92 ASP H . . 2.700 2.458 2.085 2.699 . 0 0 "[ . 1 . 2]" 1
709 1 91 ILE MG 1 93 VAL QG . . 5.000 2.030 1.767 2.370 . 0 0 "[ . 1 . 2]" 1
710 1 91 ILE MG 1 102 LYS QB . . 5.000 2.947 2.415 3.366 . 0 0 "[ . 1 . 2]" 1
711 1 92 ASP HA 1 93 VAL H . . 2.700 2.362 2.139 2.598 . 0 0 "[ . 1 . 2]" 1
712 1 93 VAL H 1 93 VAL MG1 . . 3.300 2.582 2.123 3.133 . 0 0 "[ . 1 . 2]" 1
713 1 93 VAL H 1 93 VAL MG2 . . 3.300 2.164 1.967 2.448 . 0 0 "[ . 1 . 2]" 1
714 1 93 VAL HA 1 93 VAL HB . . 2.700 2.450 2.418 2.533 . 0 0 "[ . 1 . 2]" 1
715 1 93 VAL HA 1 94 LYS H . . 2.700 2.405 2.181 2.612 . 0 0 "[ . 1 . 2]" 1
716 1 93 VAL HA 1 95 ASP H . . 5.000 4.197 3.812 4.506 . 0 0 "[ . 1 . 2]" 1
717 1 93 VAL HB 1 94 LYS H . . 3.300 2.416 1.993 3.065 . 0 0 "[ . 1 . 2]" 1
718 1 93 VAL HB 1 95 ASP H . . 3.300 2.753 2.573 3.135 . 0 0 "[ . 1 . 2]" 1
719 1 93 VAL HB 1 99 ALA H . . 3.300 3.206 3.051 3.299 . 0 0 "[ . 1 . 2]" 1
720 1 93 VAL HB 1 99 ALA HA . . 5.000 3.978 3.627 4.320 . 0 0 "[ . 1 . 2]" 1
721 1 93 VAL HB 1 99 ALA MB . . 5.000 3.512 3.204 3.850 . 0 0 "[ . 1 . 2]" 1
722 1 93 VAL MG1 1 99 ALA HA . . 2.700 2.071 1.902 2.312 . 0 0 "[ . 1 . 2]" 1
723 1 94 LYS H 1 95 ASP H . . 2.700 2.202 1.997 2.494 . 0 0 "[ . 1 . 2]" 1
724 1 95 ASP H 1 99 ALA H . . 5.000 4.242 3.972 4.463 . 0 0 "[ . 1 . 2]" 1
725 1 95 ASP HA 1 95 ASP HB2 . . 2.700 2.579 2.512 2.629 . 0 0 "[ . 1 . 2]" 1
726 1 95 ASP HA 1 95 ASP HB3 . . 2.700 2.346 2.311 2.399 . 0 0 "[ . 1 . 2]" 1
727 1 95 ASP HA 1 96 THR H . . 2.700 2.543 2.283 2.633 . 0 0 "[ . 1 . 2]" 1
728 1 95 ASP HB2 1 97 LYS H . . 3.300 2.663 2.403 3.003 . 0 0 "[ . 1 . 2]" 1
729 1 95 ASP HB2 1 98 GLU H . . 5.000 3.814 3.286 4.061 . 0 0 "[ . 1 . 2]" 1
730 1 95 ASP OD1 1 98 GLU N . . 3.000 3.156 2.766 4.886 1.886 8 4 "[ **. + 1 . -]" 1
731 1 96 THR H 1 96 THR HB . . 3.300 2.575 2.489 2.656 . 0 0 "[ . 1 . 2]" 1
732 1 96 THR H 1 97 LYS H . . 2.900 2.571 2.395 2.856 . 0 0 "[ . 1 . 2]" 1
733 1 96 THR H 1 98 GLU H . . 5.000 4.412 4.080 4.779 . 0 0 "[ . 1 . 2]" 1
734 1 96 THR HA 1 99 ALA H . . 5.000 3.485 3.172 3.743 . 0 0 "[ . 1 . 2]" 1
735 1 96 THR HA 1 99 ALA MB . . 3.300 2.590 2.338 2.878 . 0 0 "[ . 1 . 2]" 1
736 1 96 THR HB 1 97 LYS H . . 3.300 2.740 2.469 2.995 . 0 0 "[ . 1 . 2]" 1
737 1 97 LYS H 1 98 GLU H . . 2.900 2.814 2.681 2.899 . 0 0 "[ . 1 . 2]" 1
738 1 97 LYS H 1 99 ALA H . . 5.000 4.179 3.889 4.444 . 0 0 "[ . 1 . 2]" 1
739 1 97 LYS H 1 100 LEU H . . 5.000 4.815 4.632 4.986 . 0 0 "[ . 1 . 2]" 1
740 1 97 LYS HA 1 100 LEU H . . 5.000 3.495 3.242 3.815 . 0 0 "[ . 1 . 2]" 1
741 1 97 LYS HA 1 100 LEU QB . . 3.300 2.827 2.400 3.278 . 0 0 "[ . 1 . 2]" 1
742 1 97 LYS HA 1 101 ASP H . . 5.000 4.414 4.030 4.760 . 0 0 "[ . 1 . 2]" 1
743 1 98 GLU H 1 99 ALA H . . 2.900 2.756 2.475 2.872 . 0 0 "[ . 1 . 2]" 1
744 1 98 GLU H 1 100 LEU H . . 5.000 4.148 3.851 4.456 . 0 0 "[ . 1 . 2]" 1
745 1 98 GLU H 1 101 ASP H . . 5.000 4.910 4.822 4.996 . 0 0 "[ . 1 . 2]" 1
746 1 98 GLU HA 1 101 ASP H . . 5.000 3.487 3.279 3.779 . 0 0 "[ . 1 . 2]" 1
747 1 98 GLU HA 1 101 ASP QB . . 3.300 2.929 2.633 3.191 . 0 0 "[ . 1 . 2]" 1
748 1 99 ALA H 1 100 LEU H . . 2.900 2.654 2.461 2.788 . 0 0 "[ . 1 . 2]" 1
749 1 99 ALA H 1 101 ASP H . . 5.000 4.246 3.895 4.554 . 0 0 "[ . 1 . 2]" 1
750 1 99 ALA H 1 102 LYS H . . 5.000 4.897 4.782 4.985 . 0 0 "[ . 1 . 2]" 1
751 1 99 ALA HA 1 102 LYS H . . 5.000 3.530 3.313 3.745 . 0 0 "[ . 1 . 2]" 1
752 1 99 ALA HA 1 102 LYS QB . . 3.300 2.774 2.622 3.151 . 0 0 "[ . 1 . 2]" 1
753 1 100 LEU H 1 101 ASP H . . 2.900 2.609 2.414 2.774 . 0 0 "[ . 1 . 2]" 1
754 1 100 LEU H 1 102 LYS H . . 5.000 4.021 3.784 4.386 . 0 0 "[ . 1 . 2]" 1
755 1 100 LEU HA 1 100 LEU MD2 . . 2.700 2.218 2.026 2.519 . 0 0 "[ . 1 . 2]" 1
756 1 100 LEU HA 1 103 ILE H . . 5.000 3.569 3.316 3.832 . 0 0 "[ . 1 . 2]" 1
757 1 100 LEU HA 1 103 ILE HB . . 3.300 3.126 2.677 3.285 . 0 0 "[ . 1 . 2]" 1
758 1 100 LEU HA 1 104 GLU H . . 5.000 4.119 3.814 4.523 . 0 0 "[ . 1 . 2]" 1
759 1 101 ASP H 1 102 LYS H . . 2.900 2.625 2.413 2.741 . 0 0 "[ . 1 . 2]" 1
760 1 101 ASP H 1 103 ILE H . . 5.000 4.307 3.903 4.735 . 0 0 "[ . 1 . 2]" 1
761 1 101 ASP H 1 104 GLU H . . 5.000 4.729 4.572 4.998 . 0 0 "[ . 1 . 2]" 1
762 1 101 ASP HA 1 104 GLU H . . 5.000 3.500 3.106 3.745 . 0 0 "[ . 1 . 2]" 1
763 1 101 ASP HA 1 104 GLU QB . . 3.300 2.568 2.356 2.888 . 0 0 "[ . 1 . 2]" 1
764 1 102 LYS H 1 103 ILE H . . 2.900 2.667 2.496 2.818 . 0 0 "[ . 1 . 2]" 1
765 1 102 LYS H 1 104 GLU H . . 5.000 3.957 3.684 4.289 . 0 0 "[ . 1 . 2]" 1
766 1 102 LYS H 1 105 GLU H . . 5.000 4.726 4.573 4.946 . 0 0 "[ . 1 . 2]" 1
767 1 102 LYS HA 1 105 GLU H . . 5.000 3.667 3.362 3.956 . 0 0 "[ . 1 . 2]" 1
768 1 102 LYS HA 1 105 GLU QB . . 3.300 2.962 2.717 3.277 . 0 0 "[ . 1 . 2]" 1
769 1 103 ILE H 1 104 GLU H . . 2.900 2.561 2.240 2.726 . 0 0 "[ . 1 . 2]" 1
770 1 103 ILE H 1 105 GLU H . . 5.000 4.170 3.749 4.656 . 0 0 "[ . 1 . 2]" 1
771 1 103 ILE H 1 106 GLU H . . 5.000 4.840 4.637 5.000 . 0 0 "[ . 1 . 2]" 1
772 1 103 ILE HA 1 106 GLU H . . 5.000 3.556 3.382 3.827 . 0 0 "[ . 1 . 2]" 1
773 1 103 ILE HA 1 106 GLU QB . . 3.300 2.807 2.414 3.184 . 0 0 "[ . 1 . 2]" 1
774 1 104 GLU H 1 105 GLU H . . 2.900 2.602 2.469 2.800 . 0 0 "[ . 1 . 2]" 1
775 1 104 GLU H 1 106 GLU H . . 5.000 4.056 3.772 4.482 . 0 0 "[ . 1 . 2]" 1
776 1 104 GLU H 1 107 GLN H . . 5.000 4.856 4.624 4.995 . 0 0 "[ . 1 . 2]" 1
777 1 104 GLU HA 1 107 GLN H . . 5.000 3.564 3.245 3.816 . 0 0 "[ . 1 . 2]" 1
778 1 104 GLU HA 1 107 GLN QB . . 3.300 2.969 2.346 3.295 . 0 0 "[ . 1 . 2]" 1
779 1 105 GLU H 1 106 GLU H . . 2.900 2.616 2.357 2.753 . 0 0 "[ . 1 . 2]" 1
780 1 105 GLU H 1 107 GLN H . . 5.000 4.098 3.844 4.329 . 0 0 "[ . 1 . 2]" 1
781 1 105 GLU H 1 108 ASN H . . 5.000 4.773 4.536 4.979 . 0 0 "[ . 1 . 2]" 1
782 1 105 GLU HA 1 108 ASN H . . 5.000 3.402 2.979 3.984 . 0 0 "[ . 1 . 2]" 1
783 1 105 GLU HA 1 108 ASN QB . . 3.300 2.591 2.073 3.289 . 0 0 "[ . 1 . 2]" 1
784 1 106 GLU H 1 107 GLN H . . 2.900 2.616 2.315 2.831 . 0 0 "[ . 1 . 2]" 1
785 1 106 GLU H 1 108 ASN H . . 5.000 4.090 3.807 4.510 . 0 0 "[ . 1 . 2]" 1
786 1 107 GLN H 1 108 ASN H . . 2.900 2.498 2.186 2.732 . 0 0 "[ . 1 . 2]" 1
787 1 107 GLN H 1 109 LYS H . . 5.000 4.135 3.810 4.454 . 0 0 "[ . 1 . 2]" 1
788 1 107 GLN HA 1 110 SER QB . . 3.300 2.932 2.446 3.281 . 0 0 "[ . 1 . 2]" 1
789 1 108 ASN H 1 109 LYS H . . 2.900 2.707 2.513 2.889 . 0 0 "[ . 1 . 2]" 1
790 1 108 ASN H 1 110 SER H . . 5.000 4.226 3.948 4.585 . 0 0 "[ . 1 . 2]" 1
791 1 108 ASN HA 1 111 LYS QB . . 3.300 2.651 2.281 3.116 . 0 0 "[ . 1 . 2]" 1
792 1 109 LYS H 1 110 SER H . . 2.900 2.671 2.416 2.861 . 0 0 "[ . 1 . 2]" 1
793 1 109 LYS H 1 111 LYS H . . 5.000 4.081 3.795 4.306 . 0 0 "[ . 1 . 2]" 1
794 1 110 SER H 1 111 LYS H . . 2.900 2.543 2.322 2.820 . 0 0 "[ . 1 . 2]" 1
795 1 110 SER H 1 112 LYS H . . 5.000 4.125 3.866 4.441 . 0 0 "[ . 1 . 2]" 1
796 1 110 SER HA 1 113 LYS QB . . 3.300 2.921 2.429 3.299 . 0 0 "[ . 1 . 2]" 1
797 1 111 LYS H 1 112 LYS H . . 2.900 2.618 2.338 2.795 . 0 0 "[ . 1 . 2]" 1
798 1 111 LYS H 1 113 LYS H . . 5.000 4.086 3.819 4.385 . 0 0 "[ . 1 . 2]" 1
799 1 111 LYS HA 1 114 ALA MB . . 3.300 2.904 2.516 3.255 . 0 0 "[ . 1 . 2]" 1
800 1 112 LYS H 1 113 LYS H . . 2.900 2.575 2.251 2.841 . 0 0 "[ . 1 . 2]" 1
801 1 112 LYS H 1 114 ALA H . . 5.000 4.109 3.796 4.598 . 0 0 "[ . 1 . 2]" 1
802 1 113 LYS H 1 114 ALA H . . 2.900 2.576 1.928 2.880 . 0 0 "[ . 1 . 2]" 1
803 1 113 LYS H 1 115 GLN H . . 5.000 4.374 3.896 4.961 . 0 0 "[ . 1 . 2]" 1
804 1 114 ALA H 1 115 GLN H . . 2.900 2.579 2.148 2.892 . 0 0 "[ . 1 . 2]" 1
805 1 114 ALA H 1 116 GLN H . . 5.000 4.657 4.087 4.984 . 0 0 "[ . 1 . 2]" 1
806 1 115 GLN H 1 116 GLN H . . 2.900 2.513 2.037 2.858 . 0 0 "[ . 1 . 2]" 1
807 1 115 GLN H 1 117 ALA H . . 5.000 4.660 3.906 4.986 . 0 0 "[ . 1 . 2]" 1
808 1 115 GLN HA 1 118 ALA MB . . 3.800 3.406 2.811 3.799 . 0 0 "[ . 1 . 2]" 1
809 1 116 GLN H 1 117 ALA H . . 2.900 2.489 2.010 2.764 . 0 0 "[ . 1 . 2]" 1
810 1 116 GLN H 1 118 ALA H . . 5.000 4.047 3.190 4.734 . 0 0 "[ . 1 . 2]" 1
811 1 116 GLN HA 1 119 ALA MB . . 3.800 3.352 2.432 3.796 . 0 0 "[ . 1 . 2]" 1
812 1 117 ALA H 1 118 ALA H . . 2.900 2.492 1.973 2.818 . 0 0 "[ . 1 . 2]" 1
813 1 117 ALA HA 1 120 ASP QB . . 5.000 4.628 3.844 5.000 . 0 0 "[ . 1 . 2]" 1
814 1 118 ALA HA 1 121 THR MG . . 5.000 4.435 3.279 4.993 . 0 0 "[ . 1 . 2]" 1
815 1 119 ALA H 1 121 THR H . . 5.000 4.209 2.586 4.995 . 0 0 "[ . 1 . 2]" 1
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