NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553549 |
2lz1   |
18735 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lz1
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 753
_Distance_constraint_stats_list.Viol_count 338
_Distance_constraint_stats_list.Viol_total 555.620
_Distance_constraint_stats_list.Viol_max 0.430
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0822
_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 11 MET 0.025 0.025 8 0 "[ . 1 . 2]"
1 12 LYS 0.025 0.025 8 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.103 0.103 3 0 "[ . 1 . 2]"
1 17 LEU 2.472 0.336 11 0 "[ . 1 . 2]"
1 18 GLU 3.232 0.430 6 0 "[ . 1 . 2]"
1 19 ALA 0.876 0.430 6 0 "[ . 1 . 2]"
1 20 HIS 0.628 0.122 17 0 "[ . 1 . 2]"
1 21 LEU 0.694 0.173 12 0 "[ . 1 . 2]"
1 22 THR 0.886 0.122 17 0 "[ . 1 . 2]"
1 23 ARG 0.830 0.146 12 0 "[ . 1 . 2]"
1 24 ASP 0.644 0.160 5 0 "[ . 1 . 2]"
1 25 GLU 1.026 0.173 12 0 "[ . 1 . 2]"
1 26 LEU 0.858 0.146 12 0 "[ . 1 . 2]"
1 27 ARG 0.657 0.130 12 0 "[ . 1 . 2]"
1 28 ALA 0.586 0.116 17 0 "[ . 1 . 2]"
1 29 LYS 0.154 0.059 1 0 "[ . 1 . 2]"
1 30 ALA 0.252 0.080 16 0 "[ . 1 . 2]"
1 31 LEU 2.120 0.209 14 0 "[ . 1 . 2]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.254 0.059 1 0 "[ . 1 . 2]"
1 34 PRO 0.205 0.128 15 0 "[ . 1 . 2]"
1 35 PHE 2.528 0.212 15 0 "[ . 1 . 2]"
1 36 PRO 0.651 0.105 13 0 "[ . 1 . 2]"
1 37 VAL 0.810 0.138 16 0 "[ . 1 . 2]"
1 38 GLU 0.659 0.175 9 0 "[ . 1 . 2]"
1 39 LYS 1.287 0.120 20 0 "[ . 1 . 2]"
1 40 ILE 3.885 0.212 15 0 "[ . 1 . 2]"
1 41 ILE 0.456 0.190 1 0 "[ . 1 . 2]"
1 42 ASN 0.709 0.175 9 0 "[ . 1 . 2]"
1 43 LEU 1.960 0.149 11 0 "[ . 1 . 2]"
1 44 PRO 0.046 0.046 6 0 "[ . 1 . 2]"
1 45 VAL 2.646 0.234 20 0 "[ . 1 . 2]"
1 46 VAL 0.330 0.150 11 0 "[ . 1 . 2]"
1 47 ASP 0.879 0.130 2 0 "[ . 1 . 2]"
1 48 PHE 3.676 0.234 20 0 "[ . 1 . 2]"
1 49 ASN 0.671 0.150 11 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.083 0.083 1 0 "[ . 1 . 2]"
1 52 MET 0.272 0.074 12 0 "[ . 1 . 2]"
1 53 SER 1.126 0.357 15 0 "[ . 1 . 2]"
1 54 LYS 1.126 0.357 15 0 "[ . 1 . 2]"
1 55 GLU 0.614 0.122 10 0 "[ . 1 . 2]"
1 56 GLN 0.614 0.122 10 0 "[ . 1 . 2]"
1 57 PHE 0.502 0.128 15 0 "[ . 1 . 2]"
1 58 ASN 0.468 0.147 18 0 "[ . 1 . 2]"
1 59 GLU 0.662 0.194 18 0 "[ . 1 . 2]"
1 60 ALA 0.238 0.194 18 0 "[ . 1 . 2]"
1 61 GLN 0.414 0.235 7 0 "[ . 1 . 2]"
1 62 LEU 0.422 0.088 14 0 "[ . 1 . 2]"
1 63 ALA 0.080 0.060 18 0 "[ . 1 . 2]"
1 64 LEU 2.541 0.209 14 0 "[ . 1 . 2]"
1 65 ILE 1.160 0.202 20 0 "[ . 1 . 2]"
1 66 ARG 0.502 0.088 14 0 "[ . 1 . 2]"
1 67 ASP 0.194 0.130 6 0 "[ . 1 . 2]"
1 68 ILE 0.449 0.160 5 0 "[ . 1 . 2]"
1 69 ARG 1.196 0.202 20 0 "[ . 1 . 2]"
1 70 ARG 0.293 0.114 10 0 "[ . 1 . 2]"
1 71 ARG 0.018 0.018 13 0 "[ . 1 . 2]"
1 72 GLY 0.291 0.190 1 0 "[ . 1 . 2]"
1 73 LYS 0.966 0.200 6 0 "[ . 1 . 2]"
1 74 ASN 0.331 0.145 8 0 "[ . 1 . 2]"
1 75 LYS 0.540 0.196 10 0 "[ . 1 . 2]"
1 76 VAL 0.409 0.134 8 0 "[ . 1 . 2]"
1 77 ALA 0.266 0.099 1 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.070 0.070 2 0 "[ . 1 . 2]"
1 85 LYS 0.070 0.070 2 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 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 11 MET H 1 12 LYS HA 5.780 . 5.780 5.117 4.342 5.805 0.025 8 0 "[ . 1 . 2]" 1
2 1 11 MET HA 1 12 LYS H 3.720 . 3.720 2.577 2.141 3.592 . 0 0 "[ . 1 . 2]" 1
3 1 14 SER HA 1 15 SER H 3.730 . 3.730 2.298 2.148 3.585 . 0 0 "[ . 1 . 2]" 1
4 1 15 SER HA 1 16 ARG H 3.500 . 3.500 2.409 2.168 3.464 . 0 0 "[ . 1 . 2]" 1
5 1 15 SER QB 1 16 ARG H 4.650 . 4.650 3.661 2.967 4.073 . 0 0 "[ . 1 . 2]" 1
6 1 15 SER HB2 1 16 ARG H 5.490 . 5.490 4.127 3.057 4.621 . 0 0 "[ . 1 . 2]" 1
7 1 15 SER HB3 1 16 ARG H 5.490 . 5.490 4.199 3.479 4.552 . 0 0 "[ . 1 . 2]" 1
8 1 16 ARG H 1 16 ARG QB 3.760 . 3.760 2.621 2.268 3.351 . 0 0 "[ . 1 . 2]" 1
9 1 16 ARG H 1 16 ARG QG 4.430 . 4.430 3.036 1.751 4.244 . 0 0 "[ . 1 . 2]" 1
10 1 16 ARG HA 1 16 ARG QD 4.900 . 4.900 3.854 2.063 4.359 . 0 0 "[ . 1 . 2]" 1
11 1 16 ARG HA 1 16 ARG QG 3.900 . 3.900 2.798 2.354 3.585 . 0 0 "[ . 1 . 2]" 1
12 1 16 ARG HA 1 17 LEU H 3.260 . 3.260 2.359 2.135 3.363 0.103 3 0 "[ . 1 . 2]" 1
13 1 16 ARG QG 1 17 LEU H 5.070 . 5.070 4.075 2.809 4.905 . 0 0 "[ . 1 . 2]" 1
14 1 17 LEU H 1 17 LEU QB 3.350 . 3.350 2.665 2.244 3.296 . 0 0 "[ . 1 . 2]" 1
15 1 17 LEU H 1 17 LEU MD2 5.130 . 5.130 3.812 1.926 4.801 . 0 0 "[ . 1 . 2]" 1
16 1 17 LEU H 1 17 LEU HG 5.600 . 5.600 4.115 2.156 5.109 . 0 0 "[ . 1 . 2]" 1
17 1 17 LEU HA 1 17 LEU MD1 4.340 . 4.340 3.236 2.087 4.201 . 0 0 "[ . 1 . 2]" 1
18 1 17 LEU HA 1 17 LEU MD2 4.800 . 4.800 3.047 1.928 4.169 . 0 0 "[ . 1 . 2]" 1
19 1 17 LEU HA 1 18 GLU H 3.260 . 3.260 2.331 2.151 2.733 . 0 0 "[ . 1 . 2]" 1
20 1 17 LEU QB 1 18 GLU H 4.170 . 4.170 3.171 1.738 3.997 . 0 0 "[ . 1 . 2]" 1
21 1 17 LEU MD1 1 18 GLU QB 4.370 . 4.370 3.767 2.222 4.611 0.241 9 0 "[ . 1 . 2]" 1
22 1 17 LEU MD2 1 18 GLU QB 4.160 . 4.160 4.184 3.597 4.496 0.336 11 0 "[ . 1 . 2]" 1
23 1 18 GLU H 1 18 GLU QB 3.540 . 3.540 2.652 2.172 3.327 . 0 0 "[ . 1 . 2]" 1
24 1 18 GLU H 1 18 GLU QG 4.330 . 4.330 3.153 1.898 4.311 . 0 0 "[ . 1 . 2]" 1
25 1 18 GLU HA 1 19 ALA H 3.080 . 3.080 2.460 2.172 3.510 0.430 6 0 "[ . 1 . 2]" 1
26 1 18 GLU QB 1 19 ALA H 4.280 . 4.280 3.446 2.114 4.042 . 0 0 "[ . 1 . 2]" 1
27 1 18 GLU HB2 1 19 ALA H 4.970 . 4.970 4.255 2.764 4.620 . 0 0 "[ . 1 . 2]" 1
28 1 18 GLU HB3 1 19 ALA H 4.970 . 4.970 3.742 2.128 4.539 . 0 0 "[ . 1 . 2]" 1
29 1 19 ALA H 1 19 ALA MB 3.320 . 3.320 2.409 2.206 2.902 . 0 0 "[ . 1 . 2]" 1
30 1 19 ALA H 1 20 HIS H 4.760 . 4.760 3.651 1.888 4.706 . 0 0 "[ . 1 . 2]" 1
31 1 19 ALA HA 1 20 HIS H 3.600 . 3.600 2.648 2.142 3.613 0.013 12 0 "[ . 1 . 2]" 1
32 1 19 ALA MB 1 20 HIS H 4.430 . 4.430 3.139 1.978 3.758 . 0 0 "[ . 1 . 2]" 1
33 1 20 HIS H 1 20 HIS QB 3.830 . 3.830 2.741 2.204 3.383 . 0 0 "[ . 1 . 2]" 1
34 1 20 HIS H 1 21 LEU H 4.150 . 4.150 3.224 1.726 4.158 0.008 4 0 "[ . 1 . 2]" 1
35 1 20 HIS HA 1 21 LEU H 3.410 . 3.410 2.658 2.210 3.280 . 0 0 "[ . 1 . 2]" 1
36 1 20 HIS HA 1 22 THR H 5.010 . 5.010 4.977 4.721 5.132 0.122 17 0 "[ . 1 . 2]" 1
37 1 20 HIS QB 1 20 HIS HD2 3.480 . 3.480 2.852 2.650 3.185 . 0 0 "[ . 1 . 2]" 1
38 1 20 HIS QB 1 21 LEU H 4.320 . 4.320 3.883 3.672 4.086 . 0 0 "[ . 1 . 2]" 1
39 1 20 HIS HB2 1 20 HIS HD2 4.030 . 4.030 3.432 2.780 3.995 . 0 0 "[ . 1 . 2]" 1
40 1 20 HIS HB2 1 21 LEU H 5.010 . 5.010 4.470 4.010 4.695 . 0 0 "[ . 1 . 2]" 1
41 1 20 HIS HB3 1 20 HIS HD2 4.030 . 4.030 3.425 2.717 3.997 . 0 0 "[ . 1 . 2]" 1
42 1 20 HIS HB3 1 21 LEU H 5.010 . 5.010 4.299 3.895 4.528 . 0 0 "[ . 1 . 2]" 1
43 1 21 LEU H 1 21 LEU HB2 4.200 . 4.200 2.666 2.351 3.562 . 0 0 "[ . 1 . 2]" 1
44 1 21 LEU H 1 21 LEU QB 3.370 . 3.370 2.599 2.321 3.348 . 0 0 "[ . 1 . 2]" 1
45 1 21 LEU H 1 21 LEU HB3 4.200 . 4.200 3.703 3.592 4.068 . 0 0 "[ . 1 . 2]" 1
46 1 21 LEU H 1 21 LEU MD1 4.760 . 4.760 3.892 3.653 4.422 . 0 0 "[ . 1 . 2]" 1
47 1 21 LEU H 1 21 LEU MD2 4.280 . 4.280 3.304 2.826 3.796 . 0 0 "[ . 1 . 2]" 1
48 1 21 LEU H 1 21 LEU HG 3.770 . 3.770 2.559 2.279 2.960 . 0 0 "[ . 1 . 2]" 1
49 1 21 LEU H 1 22 THR H 4.560 . 4.560 3.938 2.812 4.239 . 0 0 "[ . 1 . 2]" 1
50 1 21 LEU H 1 25 GLU HB3 5.780 . 5.780 5.401 4.083 5.820 0.040 7 0 "[ . 1 . 2]" 1
51 1 21 LEU HA 1 21 LEU MD1 4.750 . 4.750 3.909 3.848 3.940 . 0 0 "[ . 1 . 2]" 1
52 1 21 LEU HA 1 21 LEU MD2 3.340 . 3.340 2.082 2.011 2.194 . 0 0 "[ . 1 . 2]" 1
53 1 21 LEU HA 1 22 THR H 3.270 . 3.270 2.279 2.155 2.495 . 0 0 "[ . 1 . 2]" 1
54 1 21 LEU QB 1 21 LEU MD1 3.120 . 3.120 2.152 2.136 2.167 . 0 0 "[ . 1 . 2]" 1
55 1 21 LEU QB 1 25 GLU HB3 4.910 . 4.910 3.710 2.646 4.341 . 0 0 "[ . 1 . 2]" 1
56 1 21 LEU HB2 1 21 LEU MD1 3.610 . 3.610 2.405 2.342 2.458 . 0 0 "[ . 1 . 2]" 1
57 1 21 LEU HB2 1 22 THR H 4.600 . 4.600 4.504 4.442 4.549 . 0 0 "[ . 1 . 2]" 1
58 1 21 LEU HB2 1 25 GLU HB2 5.120 . 5.120 4.824 4.291 5.257 0.137 19 0 "[ . 1 . 2]" 1
59 1 21 LEU HB3 1 21 LEU MD1 3.610 . 3.610 2.429 2.373 2.524 . 0 0 "[ . 1 . 2]" 1
60 1 21 LEU HB3 1 22 THR H 4.600 . 4.600 4.087 3.868 4.363 . 0 0 "[ . 1 . 2]" 1
61 1 21 LEU HB3 1 25 GLU HB2 5.120 . 5.120 3.571 2.676 4.141 . 0 0 "[ . 1 . 2]" 1
62 1 21 LEU MD1 1 25 GLU HB2 5.780 . 5.780 5.047 4.072 5.699 . 0 0 "[ . 1 . 2]" 1
63 1 21 LEU MD1 1 25 GLU QG 5.780 . 5.780 5.310 3.874 5.953 0.173 12 0 "[ . 1 . 2]" 1
64 1 21 LEU MD2 1 22 THR H 4.550 . 4.550 3.984 3.772 4.194 . 0 0 "[ . 1 . 2]" 1
65 1 21 LEU MD2 1 25 GLU HA 5.780 . 5.780 4.607 4.058 5.414 . 0 0 "[ . 1 . 2]" 1
66 1 21 LEU MD2 1 25 GLU HB2 4.860 . 4.860 3.254 2.695 4.047 . 0 0 "[ . 1 . 2]" 1
67 1 21 LEU MD2 1 25 GLU HB3 4.290 . 4.290 2.590 2.008 4.038 . 0 0 "[ . 1 . 2]" 1
68 1 21 LEU MD2 1 25 GLU QG 5.010 . 5.010 3.141 2.002 3.654 . 0 0 "[ . 1 . 2]" 1
69 1 22 THR H 1 22 THR MG 3.480 . 3.480 2.184 1.878 2.606 . 0 0 "[ . 1 . 2]" 1
70 1 22 THR H 1 25 GLU HB2 4.040 . 4.040 2.461 2.026 3.300 . 0 0 "[ . 1 . 2]" 1
71 1 22 THR H 1 25 GLU HB3 4.840 . 4.840 3.729 2.980 4.859 0.019 16 0 "[ . 1 . 2]" 1
72 1 22 THR HA 1 22 THR MG 3.510 . 3.510 2.592 2.338 3.271 . 0 0 "[ . 1 . 2]" 1
73 1 22 THR HA 1 23 ARG H 3.290 . 3.290 2.555 2.471 2.691 . 0 0 "[ . 1 . 2]" 1
74 1 22 THR HB 1 23 ARG H 3.650 . 3.650 2.458 2.168 3.696 0.046 11 0 "[ . 1 . 2]" 1
75 1 22 THR HB 1 24 ASP H 4.370 . 4.370 3.239 2.639 4.478 0.108 11 0 "[ . 1 . 2]" 1
76 1 22 THR HB 1 25 GLU H 5.310 . 5.310 4.072 3.712 5.172 . 0 0 "[ . 1 . 2]" 1
77 1 22 THR MG 1 23 ARG H 4.790 . 4.790 3.677 3.095 3.849 . 0 0 "[ . 1 . 2]" 1
78 1 22 THR MG 1 25 GLU HB2 4.900 . 4.900 3.983 2.524 4.502 . 0 0 "[ . 1 . 2]" 1
79 1 23 ARG H 1 23 ARG HB2 4.160 . 4.160 2.511 2.296 2.745 . 0 0 "[ . 1 . 2]" 1
80 1 23 ARG H 1 23 ARG QB 3.510 . 3.510 2.425 2.174 2.672 . 0 0 "[ . 1 . 2]" 1
81 1 23 ARG H 1 23 ARG HB3 4.160 . 4.160 3.373 2.537 3.672 . 0 0 "[ . 1 . 2]" 1
82 1 23 ARG H 1 23 ARG HG2 5.200 . 5.200 3.514 2.046 4.644 . 0 0 "[ . 1 . 2]" 1
83 1 23 ARG H 1 23 ARG QG 4.340 . 4.340 2.875 2.033 4.086 . 0 0 "[ . 1 . 2]" 1
84 1 23 ARG H 1 23 ARG HG3 5.200 . 5.200 3.366 2.108 4.537 . 0 0 "[ . 1 . 2]" 1
85 1 23 ARG H 1 24 ASP H 3.780 . 3.780 2.755 2.556 2.966 . 0 0 "[ . 1 . 2]" 1
86 1 23 ARG H 1 26 LEU MD1 5.280 . 5.280 4.208 3.639 4.864 . 0 0 "[ . 1 . 2]" 1
87 1 23 ARG HA 1 23 ARG QD 4.260 . 4.260 3.243 2.131 4.275 0.015 7 0 "[ . 1 . 2]" 1
88 1 23 ARG HA 1 23 ARG QG 3.930 . 3.930 2.657 2.411 3.057 . 0 0 "[ . 1 . 2]" 1
89 1 23 ARG HA 1 26 LEU QB 4.060 . 4.060 2.894 2.121 3.610 . 0 0 "[ . 1 . 2]" 1
90 1 23 ARG HA 1 26 LEU MD1 3.550 . 3.550 2.210 1.835 3.066 . 0 0 "[ . 1 . 2]" 1
91 1 23 ARG QB 1 24 ASP H 3.760 . 3.760 2.684 2.337 3.063 . 0 0 "[ . 1 . 2]" 1
92 1 23 ARG QD 1 26 LEU MD1 4.620 . 4.620 3.744 1.929 4.766 0.146 12 0 "[ . 1 . 2]" 1
93 1 23 ARG QG 1 24 ASP H 4.960 . 4.960 4.157 3.643 4.711 . 0 0 "[ . 1 . 2]" 1
94 1 23 ARG QG 1 26 LEU MD1 4.040 . 4.040 3.442 2.373 4.180 0.140 20 0 "[ . 1 . 2]" 1
95 1 24 ASP H 1 24 ASP HB2 4.220 . 4.220 2.628 2.252 3.578 . 0 0 "[ . 1 . 2]" 1
96 1 24 ASP H 1 24 ASP QB 3.500 . 3.500 2.495 2.228 2.690 . 0 0 "[ . 1 . 2]" 1
97 1 24 ASP H 1 24 ASP HB3 4.220 . 4.220 3.519 2.725 3.637 . 0 0 "[ . 1 . 2]" 1
98 1 24 ASP H 1 25 GLU H 3.980 . 3.980 2.703 2.571 2.903 . 0 0 "[ . 1 . 2]" 1
99 1 24 ASP HA 1 27 ARG H 4.570 . 4.570 3.533 3.005 4.061 . 0 0 "[ . 1 . 2]" 1
100 1 24 ASP HA 1 27 ARG HD2 4.950 . 4.950 3.271 2.229 4.719 . 0 0 "[ . 1 . 2]" 1
101 1 24 ASP HA 1 27 ARG QD 4.300 . 4.300 2.564 1.796 3.654 . 0 0 "[ . 1 . 2]" 1
102 1 24 ASP HA 1 27 ARG HD3 4.950 . 4.950 3.170 1.804 4.374 . 0 0 "[ . 1 . 2]" 1
103 1 24 ASP QB 1 25 GLU H 4.370 . 4.370 2.713 2.307 3.370 . 0 0 "[ . 1 . 2]" 1
104 1 24 ASP QB 1 37 VAL MG1 4.210 . 4.210 2.088 1.776 2.768 . 0 0 "[ . 1 . 2]" 1
105 1 24 ASP QB 1 37 VAL MG2 5.000 . 5.000 2.413 1.764 3.933 . 0 0 "[ . 1 . 2]" 1
106 1 24 ASP QB 1 68 ILE MD 4.210 . 4.210 3.324 2.407 4.370 0.160 5 0 "[ . 1 . 2]" 1
107 1 24 ASP HB2 1 37 VAL MG1 5.060 . 5.060 2.546 1.790 3.181 . 0 0 "[ . 1 . 2]" 1
108 1 24 ASP HB2 1 37 VAL MG2 5.680 . 5.680 2.947 2.123 4.497 . 0 0 "[ . 1 . 2]" 1
109 1 24 ASP HB3 1 37 VAL MG1 5.060 . 5.060 2.405 1.864 3.348 . 0 0 "[ . 1 . 2]" 1
110 1 24 ASP HB3 1 37 VAL MG2 5.680 . 5.680 2.751 1.772 4.342 . 0 0 "[ . 1 . 2]" 1
111 1 25 GLU H 1 25 GLU HB2 3.630 . 3.630 2.433 2.263 2.613 . 0 0 "[ . 1 . 2]" 1
112 1 25 GLU H 1 25 GLU QG 4.450 . 4.450 2.630 2.054 4.009 . 0 0 "[ . 1 . 2]" 1
113 1 25 GLU H 1 26 LEU H 3.820 . 3.820 2.694 2.532 2.892 . 0 0 "[ . 1 . 2]" 1
114 1 25 GLU H 1 37 VAL MG2 4.820 . 4.820 3.321 2.798 3.898 . 0 0 "[ . 1 . 2]" 1
115 1 25 GLU HA 1 25 GLU QG 3.850 . 3.850 2.708 2.355 3.066 . 0 0 "[ . 1 . 2]" 1
116 1 25 GLU HA 1 28 ALA MB 3.760 . 3.760 2.503 2.063 2.879 . 0 0 "[ . 1 . 2]" 1
117 1 25 GLU HA 1 29 LYS H 4.810 . 4.810 4.078 3.474 4.661 . 0 0 "[ . 1 . 2]" 1
118 1 25 GLU HA 1 37 VAL MG1 5.570 . 5.570 4.486 2.812 5.164 . 0 0 "[ . 1 . 2]" 1
119 1 25 GLU HA 1 37 VAL MG2 3.590 . 3.590 2.332 1.613 3.171 . 0 0 "[ . 1 . 2]" 1
120 1 25 GLU HB2 1 26 LEU H 4.190 . 4.190 2.924 2.616 3.679 . 0 0 "[ . 1 . 2]" 1
121 1 25 GLU HB2 1 26 LEU MD1 5.780 . 5.780 5.127 4.847 5.895 0.115 19 0 "[ . 1 . 2]" 1
122 1 25 GLU HB3 1 26 LEU H 4.800 . 4.800 3.577 2.543 3.903 . 0 0 "[ . 1 . 2]" 1
123 1 25 GLU QG 1 37 VAL HB 4.370 . 4.370 3.343 2.140 4.277 . 0 0 "[ . 1 . 2]" 1
124 1 25 GLU QG 1 37 VAL MG1 4.880 . 4.880 4.088 3.042 5.018 0.138 16 0 "[ . 1 . 2]" 1
125 1 25 GLU QG 1 37 VAL MG2 3.820 . 3.820 2.953 1.923 3.880 0.060 11 0 "[ . 1 . 2]" 1
126 1 26 LEU H 1 26 LEU HB2 4.010 . 4.010 2.513 2.441 2.583 . 0 0 "[ . 1 . 2]" 1
127 1 26 LEU H 1 26 LEU QB 3.280 . 3.280 2.468 2.404 2.529 . 0 0 "[ . 1 . 2]" 1
128 1 26 LEU H 1 26 LEU HB3 4.010 . 4.010 3.611 3.584 3.638 . 0 0 "[ . 1 . 2]" 1
129 1 26 LEU H 1 26 LEU MD1 4.410 . 4.410 3.627 3.452 3.733 . 0 0 "[ . 1 . 2]" 1
130 1 26 LEU H 1 26 LEU MD2 4.570 . 4.570 3.333 3.181 3.499 . 0 0 "[ . 1 . 2]" 1
131 1 26 LEU H 1 26 LEU HG 3.610 . 3.610 2.277 2.093 2.437 . 0 0 "[ . 1 . 2]" 1
132 1 26 LEU HA 1 26 LEU MD2 3.190 . 3.190 2.109 2.042 2.178 . 0 0 "[ . 1 . 2]" 1
133 1 26 LEU HA 1 26 LEU HG 4.030 . 4.030 3.137 3.048 3.233 . 0 0 "[ . 1 . 2]" 1
134 1 26 LEU QB 1 26 LEU MD2 3.230 . 3.230 2.382 2.318 2.431 . 0 0 "[ . 1 . 2]" 1
135 1 26 LEU QB 1 27 ARG H 3.340 . 3.340 2.543 2.349 2.787 . 0 0 "[ . 1 . 2]" 1
136 1 26 LEU MD1 1 27 ARG H 5.110 . 5.110 4.538 4.341 4.765 . 0 0 "[ . 1 . 2]" 1
137 1 26 LEU MD2 1 27 ARG H 5.540 . 5.540 4.733 4.637 4.827 . 0 0 "[ . 1 . 2]" 1
138 1 27 ARG H 1 27 ARG QB 3.700 . 3.700 2.517 2.383 2.714 . 0 0 "[ . 1 . 2]" 1
139 1 27 ARG H 1 27 ARG HG2 4.330 . 4.330 2.781 1.922 3.758 . 0 0 "[ . 1 . 2]" 1
140 1 27 ARG H 1 27 ARG HG3 4.330 . 4.330 3.006 2.116 3.835 . 0 0 "[ . 1 . 2]" 1
141 1 27 ARG HA 1 27 ARG HG2 4.460 . 4.460 3.364 2.534 3.923 . 0 0 "[ . 1 . 2]" 1
142 1 27 ARG HA 1 27 ARG HG3 4.460 . 4.460 3.506 2.893 3.900 . 0 0 "[ . 1 . 2]" 1
143 1 27 ARG HA 1 29 LYS H 5.050 . 5.050 4.563 4.123 5.020 . 0 0 "[ . 1 . 2]" 1
144 1 27 ARG HA 1 30 ALA H 3.990 . 3.990 3.426 3.047 3.902 . 0 0 "[ . 1 . 2]" 1
145 1 27 ARG HA 1 30 ALA MB 3.610 . 3.610 2.494 2.163 3.233 . 0 0 "[ . 1 . 2]" 1
146 1 27 ARG QB 1 27 ARG QD 3.460 . 3.460 2.333 2.124 2.433 . 0 0 "[ . 1 . 2]" 1
147 1 27 ARG QB 1 64 LEU MD2 4.740 . 4.740 3.008 2.231 3.729 . 0 0 "[ . 1 . 2]" 1
148 1 27 ARG QD 1 64 LEU MD2 4.540 . 4.540 3.937 2.993 4.670 0.130 12 0 "[ . 1 . 2]" 1
149 1 27 ARG HD2 1 64 LEU MD1 4.700 . 4.700 3.358 2.040 4.345 . 0 0 "[ . 1 . 2]" 1
150 1 27 ARG HD3 1 64 LEU MD1 4.700 . 4.700 2.931 1.893 4.068 . 0 0 "[ . 1 . 2]" 1
151 1 27 ARG QG 1 64 LEU MD1 3.680 . 3.680 2.933 1.979 3.801 0.121 20 0 "[ . 1 . 2]" 1
152 1 27 ARG QG 1 64 LEU MD2 4.530 . 4.530 3.207 1.995 4.479 . 0 0 "[ . 1 . 2]" 1
153 1 28 ALA H 1 28 ALA MB 3.400 . 3.400 2.261 2.241 2.291 . 0 0 "[ . 1 . 2]" 1
154 1 28 ALA H 1 29 LYS H 3.690 . 3.690 2.704 2.596 2.828 . 0 0 "[ . 1 . 2]" 1
155 1 28 ALA H 1 37 VAL MG2 5.660 . 5.660 3.820 3.239 5.025 . 0 0 "[ . 1 . 2]" 1
156 1 28 ALA H 1 64 LEU MD1 5.780 . 5.780 4.528 3.950 5.481 . 0 0 "[ . 1 . 2]" 1
157 1 28 ALA H 1 64 LEU MD2 4.340 . 4.340 3.340 3.029 3.683 . 0 0 "[ . 1 . 2]" 1
158 1 28 ALA HA 1 31 LEU H 4.820 . 4.820 3.679 3.223 3.986 . 0 0 "[ . 1 . 2]" 1
159 1 28 ALA HA 1 33 ILE H 5.010 . 5.010 3.853 3.462 4.525 . 0 0 "[ . 1 . 2]" 1
160 1 28 ALA HA 1 33 ILE MD 4.440 . 4.440 3.863 3.580 4.263 . 0 0 "[ . 1 . 2]" 1
161 1 28 ALA HA 1 33 ILE HG12 4.810 . 4.810 2.642 2.311 3.250 . 0 0 "[ . 1 . 2]" 1
162 1 28 ALA HA 1 33 ILE QG 4.190 . 4.190 2.417 2.131 2.975 . 0 0 "[ . 1 . 2]" 1
163 1 28 ALA HA 1 33 ILE HG13 4.810 . 4.810 2.817 2.487 3.449 . 0 0 "[ . 1 . 2]" 1
164 1 28 ALA HA 1 64 LEU MD2 3.780 . 3.780 2.114 1.783 2.626 . 0 0 "[ . 1 . 2]" 1
165 1 28 ALA MB 1 29 LYS H 3.660 . 3.660 2.483 2.299 2.792 . 0 0 "[ . 1 . 2]" 1
166 1 28 ALA MB 1 33 ILE HB 3.550 . 3.550 2.380 2.086 2.969 . 0 0 "[ . 1 . 2]" 1
167 1 28 ALA MB 1 33 ILE MD 4.370 . 4.370 4.063 3.610 4.331 . 0 0 "[ . 1 . 2]" 1
168 1 28 ALA MB 1 33 ILE MG 4.500 . 4.500 3.292 2.937 3.809 . 0 0 "[ . 1 . 2]" 1
169 1 28 ALA MB 1 37 VAL MG1 4.350 . 4.350 4.136 2.889 4.466 0.116 17 0 "[ . 1 . 2]" 1
170 1 28 ALA MB 1 37 VAL MG2 3.380 . 3.380 2.238 1.958 3.211 . 0 0 "[ . 1 . 2]" 1
171 1 28 ALA MB 1 64 LEU MD2 3.300 . 3.300 2.883 2.453 3.344 0.044 5 0 "[ . 1 . 2]" 1
172 1 28 ALA MB 1 68 ILE MD 4.290 . 4.290 3.013 2.180 4.157 . 0 0 "[ . 1 . 2]" 1
173 1 29 LYS H 1 29 LYS QB 3.150 . 3.150 2.321 2.166 2.647 . 0 0 "[ . 1 . 2]" 1
174 1 29 LYS H 1 29 LYS QG 4.380 . 4.380 3.388 2.076 4.101 . 0 0 "[ . 1 . 2]" 1
175 1 29 LYS HA 1 29 LYS HG2 4.290 . 4.290 3.167 2.564 3.833 . 0 0 "[ . 1 . 2]" 1
176 1 29 LYS HA 1 29 LYS QG 3.710 . 3.710 2.681 2.378 3.175 . 0 0 "[ . 1 . 2]" 1
177 1 29 LYS HA 1 29 LYS HG3 4.290 . 4.290 3.004 2.459 3.861 . 0 0 "[ . 1 . 2]" 1
178 1 29 LYS HA 1 32 HIS H 4.600 . 4.600 3.321 3.040 3.623 . 0 0 "[ . 1 . 2]" 1
179 1 29 LYS HA 1 33 ILE H 4.120 . 4.120 3.620 2.970 4.179 0.059 1 0 "[ . 1 . 2]" 1
180 1 29 LYS QB 1 30 ALA H 3.570 . 3.570 2.801 2.539 3.004 . 0 0 "[ . 1 . 2]" 1
181 1 30 ALA H 1 30 ALA MB 3.200 . 3.200 2.248 2.226 2.266 . 0 0 "[ . 1 . 2]" 1
182 1 30 ALA H 1 31 LEU H 3.730 . 3.730 2.735 2.600 2.851 . 0 0 "[ . 1 . 2]" 1
183 1 30 ALA H 1 31 LEU MD1 5.780 . 5.780 5.706 5.487 5.860 0.080 16 0 "[ . 1 . 2]" 1
184 1 30 ALA MB 1 31 LEU H 3.800 . 3.800 2.585 2.473 2.751 . 0 0 "[ . 1 . 2]" 1
185 1 30 ALA MB 1 32 HIS H 5.220 . 5.220 4.278 4.139 4.408 . 0 0 "[ . 1 . 2]" 1
186 1 31 LEU H 1 31 LEU HB2 3.690 . 3.690 2.442 2.304 2.529 . 0 0 "[ . 1 . 2]" 1
187 1 31 LEU H 1 31 LEU HB3 4.260 . 4.260 3.655 3.587 3.698 . 0 0 "[ . 1 . 2]" 1
188 1 31 LEU H 1 31 LEU MD1 4.580 . 4.580 3.863 3.766 3.951 . 0 0 "[ . 1 . 2]" 1
189 1 31 LEU H 1 31 LEU MD2 4.970 . 4.970 3.709 3.474 4.038 . 0 0 "[ . 1 . 2]" 1
190 1 31 LEU H 1 31 LEU HG 4.420 . 4.420 2.774 2.580 3.089 . 0 0 "[ . 1 . 2]" 1
191 1 31 LEU H 1 32 HIS H 3.820 . 3.820 2.441 2.283 2.647 . 0 0 "[ . 1 . 2]" 1
192 1 31 LEU HA 1 31 LEU MD2 3.230 . 3.230 2.035 1.978 2.114 . 0 0 "[ . 1 . 2]" 1
193 1 31 LEU HA 1 31 LEU HG 4.330 . 4.330 3.071 2.893 3.210 . 0 0 "[ . 1 . 2]" 1
194 1 31 LEU HB3 1 31 LEU MD2 3.630 . 3.630 2.448 2.385 2.484 . 0 0 "[ . 1 . 2]" 1
195 1 31 LEU HB3 1 32 HIS H 5.020 . 5.020 4.238 4.136 4.376 . 0 0 "[ . 1 . 2]" 1
196 1 31 LEU MD1 1 61 GLN HA 4.110 . 4.110 2.578 1.737 3.506 . 0 0 "[ . 1 . 2]" 1
197 1 31 LEU MD1 1 64 LEU H 4.260 . 4.260 3.446 3.068 3.628 . 0 0 "[ . 1 . 2]" 1
198 1 31 LEU MD1 1 64 LEU HA 5.680 . 5.680 4.132 3.864 4.718 . 0 0 "[ . 1 . 2]" 1
199 1 31 LEU MD1 1 64 LEU HB2 4.360 . 4.360 2.152 1.866 2.694 . 0 0 "[ . 1 . 2]" 1
200 1 31 LEU MD1 1 64 LEU QB 3.820 . 3.820 2.058 1.837 2.396 . 0 0 "[ . 1 . 2]" 1
201 1 31 LEU MD1 1 64 LEU HB3 4.360 . 4.360 2.803 2.353 3.147 . 0 0 "[ . 1 . 2]" 1
202 1 31 LEU MD2 1 32 HIS H 5.780 . 5.780 4.774 4.715 4.841 . 0 0 "[ . 1 . 2]" 1
203 1 31 LEU MD2 1 60 ALA H 5.690 . 5.690 5.014 4.571 5.733 0.043 20 0 "[ . 1 . 2]" 1
204 1 31 LEU MD2 1 60 ALA MB 3.220 . 3.220 2.310 1.827 2.900 . 0 0 "[ . 1 . 2]" 1
205 1 31 LEU MD2 1 61 GLN H 5.210 . 5.210 4.195 3.608 4.623 . 0 0 "[ . 1 . 2]" 1
206 1 31 LEU MD2 1 61 GLN HA 4.490 . 4.490 3.988 2.991 4.515 0.025 11 0 "[ . 1 . 2]" 1
207 1 31 LEU MD2 1 61 GLN HG3 4.410 . 4.410 4.112 3.390 4.496 0.086 3 0 "[ . 1 . 2]" 1
208 1 31 LEU MD2 1 64 LEU H 5.460 . 5.460 5.488 4.985 5.669 0.209 14 0 "[ . 1 . 2]" 1
209 1 32 HIS H 1 33 ILE H 3.820 . 3.820 2.832 2.687 2.964 . 0 0 "[ . 1 . 2]" 1
210 1 32 HIS H 1 33 ILE MD 5.590 . 5.590 4.752 4.240 5.001 . 0 0 "[ . 1 . 2]" 1
211 1 33 ILE H 1 33 ILE HB 3.490 . 3.490 2.577 2.497 2.752 . 0 0 "[ . 1 . 2]" 1
212 1 33 ILE H 1 33 ILE MD 4.740 . 4.740 3.271 3.055 3.435 . 0 0 "[ . 1 . 2]" 1
213 1 33 ILE H 1 33 ILE HG12 4.130 . 4.130 2.199 2.065 2.369 . 0 0 "[ . 1 . 2]" 1
214 1 33 ILE H 1 33 ILE HG13 4.130 . 4.130 3.664 3.573 3.771 . 0 0 "[ . 1 . 2]" 1
215 1 33 ILE H 1 33 ILE MG 4.590 . 4.590 3.833 3.812 3.861 . 0 0 "[ . 1 . 2]" 1
216 1 33 ILE HA 1 33 ILE MD 4.060 . 4.060 2.173 2.076 2.340 . 0 0 "[ . 1 . 2]" 1
217 1 33 ILE HA 1 34 PRO HD2 3.950 . 3.950 2.463 2.173 2.882 . 0 0 "[ . 1 . 2]" 1
218 1 33 ILE MD 1 57 PHE QD 5.780 . 5.780 4.249 3.386 5.021 . 0 0 "[ . 1 . 2]" 1
219 1 33 ILE MD 1 57 PHE QE 5.780 . 5.780 4.907 3.827 5.775 . 0 0 "[ . 1 . 2]" 1
220 1 33 ILE MD 1 61 GLN HA 4.680 . 4.680 2.515 2.176 3.106 . 0 0 "[ . 1 . 2]" 1
221 1 33 ILE MD 1 61 GLN QB 4.990 . 4.990 2.341 1.985 3.905 . 0 0 "[ . 1 . 2]" 1
222 1 33 ILE MD 1 61 GLN QE 5.610 . 5.610 3.456 1.800 4.627 . 0 0 "[ . 1 . 2]" 1
223 1 33 ILE MD 1 61 GLN HG2 4.540 . 4.540 2.467 2.076 3.016 . 0 0 "[ . 1 . 2]" 1
224 1 33 ILE MD 1 61 GLN HG3 4.900 . 4.900 3.746 2.546 4.177 . 0 0 "[ . 1 . 2]" 1
225 1 33 ILE MD 1 65 ILE H 4.990 . 4.990 3.954 3.351 4.723 . 0 0 "[ . 1 . 2]" 1
226 1 33 ILE MD 1 65 ILE MD 3.970 . 3.970 2.412 1.770 3.315 . 0 0 "[ . 1 . 2]" 1
227 1 33 ILE MD 1 65 ILE QG 3.690 . 3.690 2.478 1.972 2.921 . 0 0 "[ . 1 . 2]" 1
228 1 33 ILE MG 1 34 PRO HD2 4.000 . 4.000 2.469 2.127 2.636 . 0 0 "[ . 1 . 2]" 1
229 1 33 ILE MG 1 34 PRO HD3 4.620 . 4.620 3.527 3.149 3.833 . 0 0 "[ . 1 . 2]" 1
230 1 33 ILE MG 1 35 PHE H 3.840 . 3.840 1.838 1.544 2.225 . 0 0 "[ . 1 . 2]" 1
231 1 33 ILE MG 1 35 PHE HB2 4.900 . 4.900 3.003 2.356 4.272 . 0 0 "[ . 1 . 2]" 1
232 1 33 ILE MG 1 35 PHE HB3 4.770 . 4.770 4.180 3.725 4.625 . 0 0 "[ . 1 . 2]" 1
233 1 33 ILE MG 1 35 PHE QD 3.980 . 3.980 3.016 2.169 3.399 . 0 0 "[ . 1 . 2]" 1
234 1 33 ILE MG 1 35 PHE QE 5.660 . 5.660 4.259 3.029 5.038 . 0 0 "[ . 1 . 2]" 1
235 1 33 ILE MG 1 57 PHE QD 5.780 . 5.780 4.701 3.624 5.562 . 0 0 "[ . 1 . 2]" 1
236 1 33 ILE MG 1 57 PHE QE 5.200 . 5.200 4.351 3.349 5.240 0.040 14 0 "[ . 1 . 2]" 1
237 1 33 ILE MG 1 65 ILE MD 4.000 . 4.000 2.912 2.165 3.494 . 0 0 "[ . 1 . 2]" 1
238 1 34 PRO QB 1 57 PHE QE 4.280 . 4.280 3.847 2.752 4.408 0.128 15 0 "[ . 1 . 2]" 1
239 1 34 PRO HD2 1 57 PHE QD 4.800 . 4.800 3.743 2.632 4.544 . 0 0 "[ . 1 . 2]" 1
240 1 34 PRO HD2 1 57 PHE QE 4.140 . 4.140 2.979 2.029 4.197 0.057 14 0 "[ . 1 . 2]" 1
241 1 34 PRO HD3 1 57 PHE QD 4.320 . 4.320 3.629 2.924 4.230 . 0 0 "[ . 1 . 2]" 1
242 1 34 PRO HD3 1 57 PHE QE 4.420 . 4.420 3.516 2.720 4.334 . 0 0 "[ . 1 . 2]" 1
243 1 34 PRO QG 1 57 PHE QD 4.900 . 4.900 3.545 2.479 4.625 . 0 0 "[ . 1 . 2]" 1
244 1 35 PHE HA 1 35 PHE QD 3.630 . 3.630 2.820 2.258 3.703 0.073 6 0 "[ . 1 . 2]" 1
245 1 35 PHE HA 1 36 PRO HD2 3.860 . 3.860 2.606 2.193 2.924 . 0 0 "[ . 1 . 2]" 1
246 1 35 PHE HA 1 36 PRO QD 3.350 . 3.350 2.144 1.971 2.259 . 0 0 "[ . 1 . 2]" 1
247 1 35 PHE HA 1 36 PRO HD3 3.860 . 3.860 2.369 2.003 2.663 . 0 0 "[ . 1 . 2]" 1
248 1 35 PHE HA 1 36 PRO QG 4.710 . 4.710 4.059 3.862 4.186 . 0 0 "[ . 1 . 2]" 1
249 1 35 PHE HB2 1 36 PRO HD2 4.920 . 4.920 3.706 2.430 4.222 . 0 0 "[ . 1 . 2]" 1
250 1 35 PHE HB2 1 36 PRO QD 4.250 . 4.250 3.531 2.403 3.910 . 0 0 "[ . 1 . 2]" 1
251 1 35 PHE HB2 1 36 PRO HD3 4.920 . 4.920 4.549 3.411 4.985 0.065 12 0 "[ . 1 . 2]" 1
252 1 35 PHE HB2 1 40 ILE MD 4.300 . 4.300 2.393 1.824 3.741 . 0 0 "[ . 1 . 2]" 1
253 1 35 PHE HB2 1 40 ILE HG13 4.920 . 4.920 4.093 2.437 5.132 0.212 15 0 "[ . 1 . 2]" 1
254 1 35 PHE HB3 1 36 PRO HD2 4.570 . 4.570 2.699 2.325 3.490 . 0 0 "[ . 1 . 2]" 1
255 1 35 PHE HB3 1 36 PRO QD 3.960 . 3.960 2.628 2.305 3.282 . 0 0 "[ . 1 . 2]" 1
256 1 35 PHE HB3 1 36 PRO HD3 4.570 . 4.570 3.764 3.331 4.557 . 0 0 "[ . 1 . 2]" 1
257 1 35 PHE HB3 1 39 LYS QB 4.650 . 4.650 2.668 1.984 4.067 . 0 0 "[ . 1 . 2]" 1
258 1 35 PHE HB3 1 40 ILE MD 4.940 . 4.940 3.417 2.685 4.973 0.033 18 0 "[ . 1 . 2]" 1
259 1 35 PHE QD 1 40 ILE MD 3.930 . 3.930 2.577 2.083 3.326 . 0 0 "[ . 1 . 2]" 1
260 1 35 PHE QD 1 40 ILE HG12 5.620 . 5.620 4.292 3.282 4.977 . 0 0 "[ . 1 . 2]" 1
261 1 35 PHE QD 1 40 ILE HG13 4.120 . 4.120 3.663 2.587 4.185 0.065 13 0 "[ . 1 . 2]" 1
262 1 35 PHE QE 1 40 ILE MD 4.500 . 4.500 4.207 2.723 4.691 0.191 2 0 "[ . 1 . 2]" 1
263 1 35 PHE QE 1 65 ILE MD 4.880 . 4.880 4.171 2.952 4.981 0.101 13 0 "[ . 1 . 2]" 1
264 1 36 PRO QB 1 38 GLU H 3.970 . 3.970 2.912 2.520 3.530 . 0 0 "[ . 1 . 2]" 1
265 1 36 PRO QB 1 39 LYS H 4.160 . 4.160 2.972 2.163 3.589 . 0 0 "[ . 1 . 2]" 1
266 1 36 PRO HB2 1 39 LYS H 5.020 . 5.020 3.016 2.183 3.669 . 0 0 "[ . 1 . 2]" 1
267 1 36 PRO HB3 1 39 LYS H 5.020 . 5.020 4.523 3.504 5.086 0.066 8 0 "[ . 1 . 2]" 1
268 1 36 PRO QD 1 39 LYS QB 4.280 . 4.280 2.608 2.108 3.364 . 0 0 "[ . 1 . 2]" 1
269 1 36 PRO QD 1 39 LYS QD 4.410 . 4.410 3.523 2.029 4.485 0.075 20 0 "[ . 1 . 2]" 1
270 1 36 PRO QG 1 39 LYS H 5.000 . 5.000 3.437 2.204 4.734 . 0 0 "[ . 1 . 2]" 1
271 1 36 PRO QG 1 39 LYS QG 4.640 . 4.640 3.671 2.209 4.745 0.105 13 0 "[ . 1 . 2]" 1
272 1 37 VAL H 1 37 VAL HB 4.170 . 4.170 2.477 2.336 2.643 . 0 0 "[ . 1 . 2]" 1
273 1 37 VAL H 1 37 VAL MG1 4.560 . 4.560 3.800 3.752 3.836 . 0 0 "[ . 1 . 2]" 1
274 1 37 VAL H 1 37 VAL MG2 3.570 . 3.570 2.127 1.905 2.351 . 0 0 "[ . 1 . 2]" 1
275 1 37 VAL HA 1 37 VAL MG2 3.680 . 3.680 2.367 2.295 2.489 . 0 0 "[ . 1 . 2]" 1
276 1 37 VAL HA 1 40 ILE HB 4.470 . 4.470 3.082 2.442 3.608 . 0 0 "[ . 1 . 2]" 1
277 1 37 VAL HA 1 40 ILE MD 4.220 . 4.220 2.589 1.785 3.468 . 0 0 "[ . 1 . 2]" 1
278 1 37 VAL HA 1 41 ILE MD 5.130 . 5.130 4.710 4.425 4.956 . 0 0 "[ . 1 . 2]" 1
279 1 37 VAL HA 1 68 ILE MD 4.940 . 4.940 3.194 2.410 4.807 . 0 0 "[ . 1 . 2]" 1
280 1 37 VAL HA 1 68 ILE MG 5.380 . 5.380 3.125 2.247 4.001 . 0 0 "[ . 1 . 2]" 1
281 1 37 VAL HB 1 38 GLU H 4.420 . 4.420 2.751 2.438 2.969 . 0 0 "[ . 1 . 2]" 1
282 1 37 VAL HB 1 41 ILE MD 4.640 . 4.640 4.221 3.672 4.702 0.062 1 0 "[ . 1 . 2]" 1
283 1 37 VAL MG1 1 38 GLU H 4.920 . 4.920 3.438 3.140 3.706 . 0 0 "[ . 1 . 2]" 1
284 1 37 VAL MG1 1 38 GLU HA 5.760 . 5.760 3.631 3.212 3.953 . 0 0 "[ . 1 . 2]" 1
285 1 37 VAL MG1 1 41 ILE QG 4.610 . 4.610 2.800 2.358 3.631 . 0 0 "[ . 1 . 2]" 1
286 1 37 VAL MG2 1 38 GLU H 5.380 . 5.380 3.962 3.776 4.111 . 0 0 "[ . 1 . 2]" 1
287 1 38 GLU H 1 38 GLU HB2 4.210 . 4.210 2.493 2.222 2.623 . 0 0 "[ . 1 . 2]" 1
288 1 38 GLU H 1 38 GLU QB 3.680 . 3.680 2.324 2.152 2.564 . 0 0 "[ . 1 . 2]" 1
289 1 38 GLU H 1 38 GLU HB3 4.210 . 4.210 2.945 2.400 3.678 . 0 0 "[ . 1 . 2]" 1
290 1 38 GLU H 1 38 GLU QG 4.370 . 4.370 3.578 2.088 4.091 . 0 0 "[ . 1 . 2]" 1
291 1 38 GLU H 1 39 LYS H 4.450 . 4.450 2.863 2.679 2.983 . 0 0 "[ . 1 . 2]" 1
292 1 38 GLU HA 1 41 ILE H 4.980 . 4.980 3.672 2.853 4.107 . 0 0 "[ . 1 . 2]" 1
293 1 38 GLU HA 1 41 ILE HB 4.470 . 4.470 2.805 1.875 3.596 . 0 0 "[ . 1 . 2]" 1
294 1 38 GLU HA 1 41 ILE MD 4.000 . 4.000 2.545 1.878 3.254 . 0 0 "[ . 1 . 2]" 1
295 1 38 GLU HA 1 41 ILE QG 5.050 . 5.050 3.536 2.724 4.183 . 0 0 "[ . 1 . 2]" 1
296 1 38 GLU QG 1 39 LYS H 4.890 . 4.890 4.042 3.366 4.715 . 0 0 "[ . 1 . 2]" 1
297 1 38 GLU QG 1 42 ASN QD 4.800 . 4.800 4.038 1.748 4.975 0.175 9 0 "[ . 1 . 2]" 1
298 1 39 LYS H 1 39 LYS QG 4.820 . 4.820 3.500 2.423 4.122 . 0 0 "[ . 1 . 2]" 1
299 1 39 LYS H 1 40 ILE H 4.040 . 4.040 2.775 2.623 2.954 . 0 0 "[ . 1 . 2]" 1
300 1 39 LYS HA 1 39 LYS QG 3.930 . 3.930 2.690 2.259 3.064 . 0 0 "[ . 1 . 2]" 1
301 1 39 LYS HA 1 43 LEU H 4.780 . 4.780 4.060 3.035 4.814 0.034 13 0 "[ . 1 . 2]" 1
302 1 39 LYS HA 1 43 LEU MD1 4.530 . 4.530 4.282 3.542 4.607 0.077 1 0 "[ . 1 . 2]" 1
303 1 39 LYS HA 1 43 LEU HG 4.570 . 4.570 3.726 2.891 4.197 . 0 0 "[ . 1 . 2]" 1
304 1 39 LYS QB 1 40 ILE H 4.240 . 4.240 2.668 2.344 2.912 . 0 0 "[ . 1 . 2]" 1
305 1 39 LYS QB 1 43 LEU MD1 4.580 . 4.580 3.443 2.210 4.265 . 0 0 "[ . 1 . 2]" 1
306 1 39 LYS HB2 1 40 ILE H 5.040 . 5.040 3.487 2.666 4.142 . 0 0 "[ . 1 . 2]" 1
307 1 39 LYS HB3 1 40 ILE H 5.040 . 5.040 2.989 2.367 3.765 . 0 0 "[ . 1 . 2]" 1
308 1 39 LYS QD 1 40 ILE H 5.600 . 5.600 4.965 4.392 5.568 . 0 0 "[ . 1 . 2]" 1
309 1 39 LYS QD 1 43 LEU MD1 3.760 . 3.760 3.050 2.261 3.608 . 0 0 "[ . 1 . 2]" 1
310 1 39 LYS QE 1 39 LYS QG 3.490 . 3.490 2.313 2.158 2.835 . 0 0 "[ . 1 . 2]" 1
311 1 39 LYS QE 1 43 LEU MD1 4.630 . 4.630 3.025 1.733 4.674 0.044 2 0 "[ . 1 . 2]" 1
312 1 39 LYS QE 1 43 LEU MD2 4.450 . 4.450 3.366 2.133 4.570 0.120 20 0 "[ . 1 . 2]" 1
313 1 40 ILE H 1 40 ILE HB 4.150 . 4.150 2.476 2.299 2.629 . 0 0 "[ . 1 . 2]" 1
314 1 40 ILE H 1 40 ILE MD 4.420 . 4.420 2.359 1.863 3.788 . 0 0 "[ . 1 . 2]" 1
315 1 40 ILE H 1 40 ILE HG12 4.730 . 4.730 3.926 3.324 4.181 . 0 0 "[ . 1 . 2]" 1
316 1 40 ILE H 1 40 ILE HG13 4.020 . 4.020 3.324 2.143 3.979 . 0 0 "[ . 1 . 2]" 1
317 1 40 ILE H 1 41 ILE H 4.350 . 4.350 2.698 2.471 2.834 . 0 0 "[ . 1 . 2]" 1
318 1 40 ILE HA 1 40 ILE HG13 4.030 . 4.030 2.562 2.337 3.123 . 0 0 "[ . 1 . 2]" 1
319 1 40 ILE HA 1 43 LEU HB3 5.310 . 5.310 4.715 3.921 5.459 0.149 11 0 "[ . 1 . 2]" 1
320 1 40 ILE HA 1 48 PHE QD 5.100 . 5.100 3.744 3.298 4.484 . 0 0 "[ . 1 . 2]" 1
321 1 40 ILE HA 1 48 PHE QE 4.790 . 4.790 3.320 1.769 4.276 . 0 0 "[ . 1 . 2]" 1
322 1 40 ILE HB 1 41 ILE H 4.380 . 4.380 2.836 2.524 3.045 . 0 0 "[ . 1 . 2]" 1
323 1 40 ILE HB 1 68 ILE MD 5.780 . 5.780 3.604 2.763 4.944 . 0 0 "[ . 1 . 2]" 1
324 1 40 ILE HB 1 68 ILE MG 4.330 . 4.330 2.499 1.909 3.275 . 0 0 "[ . 1 . 2]" 1
325 1 40 ILE MD 1 48 PHE QE 4.980 . 4.980 3.627 2.825 4.638 . 0 0 "[ . 1 . 2]" 1
326 1 40 ILE MD 1 65 ILE HA 4.770 . 4.770 4.317 2.835 4.847 0.077 4 0 "[ . 1 . 2]" 1
327 1 40 ILE MD 1 65 ILE MD 4.630 . 4.630 3.720 2.886 4.419 . 0 0 "[ . 1 . 2]" 1
328 1 40 ILE HG12 1 48 PHE QE 4.960 . 4.960 3.847 1.996 4.989 0.029 17 0 "[ . 1 . 2]" 1
329 1 40 ILE HG13 1 48 PHE QE 5.210 . 5.210 3.015 2.199 3.998 . 0 0 "[ . 1 . 2]" 1
330 1 40 ILE HG13 1 48 PHE HZ 4.300 . 4.300 3.555 1.901 4.492 0.192 17 0 "[ . 1 . 2]" 1
331 1 40 ILE MG 1 41 ILE H 4.450 . 4.450 3.358 3.051 3.768 . 0 0 "[ . 1 . 2]" 1
332 1 40 ILE MG 1 48 PHE QD 4.960 . 4.960 4.260 3.522 5.039 0.079 1 0 "[ . 1 . 2]" 1
333 1 40 ILE MG 1 48 PHE QE 4.300 . 4.300 3.653 2.698 4.383 0.083 17 0 "[ . 1 . 2]" 1
334 1 40 ILE MG 1 48 PHE HZ 5.330 . 5.330 3.933 1.970 5.157 . 0 0 "[ . 1 . 2]" 1
335 1 40 ILE MG 1 65 ILE HA 4.480 . 4.480 2.637 2.076 3.528 . 0 0 "[ . 1 . 2]" 1
336 1 40 ILE MG 1 65 ILE MG 3.370 . 3.370 2.129 1.849 2.712 . 0 0 "[ . 1 . 2]" 1
337 1 40 ILE MG 1 68 ILE HB 4.170 . 4.170 2.392 1.945 3.075 . 0 0 "[ . 1 . 2]" 1
338 1 40 ILE MG 1 69 ARG H 4.110 . 4.110 3.132 2.470 3.628 . 0 0 "[ . 1 . 2]" 1
339 1 40 ILE MG 1 69 ARG HA 4.200 . 4.200 3.204 2.517 3.840 . 0 0 "[ . 1 . 2]" 1
340 1 40 ILE MG 1 69 ARG QB 4.900 . 4.900 3.063 2.176 4.143 . 0 0 "[ . 1 . 2]" 1
341 1 40 ILE MG 1 69 ARG QD 4.940 . 4.940 3.401 2.244 4.562 . 0 0 "[ . 1 . 2]" 1
342 1 40 ILE MG 1 69 ARG QG 3.770 . 3.770 2.774 1.858 3.874 0.104 6 0 "[ . 1 . 2]" 1
343 1 41 ILE H 1 41 ILE HB 3.940 . 3.940 2.482 2.322 2.631 . 0 0 "[ . 1 . 2]" 1
344 1 41 ILE H 1 41 ILE MD 4.770 . 4.770 3.615 3.429 3.757 . 0 0 "[ . 1 . 2]" 1
345 1 41 ILE H 1 41 ILE QG 3.890 . 3.890 2.214 1.974 2.518 . 0 0 "[ . 1 . 2]" 1
346 1 41 ILE H 1 41 ILE MG 4.500 . 4.500 3.808 3.753 3.839 . 0 0 "[ . 1 . 2]" 1
347 1 41 ILE H 1 42 ASN H 4.650 . 4.650 2.683 2.475 2.837 . 0 0 "[ . 1 . 2]" 1
348 1 41 ILE HB 1 41 ILE MD 3.550 . 3.550 2.479 2.417 2.526 . 0 0 "[ . 1 . 2]" 1
349 1 41 ILE HB 1 42 ASN H 4.440 . 4.440 2.757 2.490 3.048 . 0 0 "[ . 1 . 2]" 1
350 1 41 ILE HB 1 42 ASN QB 4.900 . 4.900 4.214 3.663 4.697 . 0 0 "[ . 1 . 2]" 1
351 1 41 ILE MD 1 72 GLY H 5.590 . 5.590 4.366 2.887 5.615 0.025 4 0 "[ . 1 . 2]" 1
352 1 41 ILE MD 1 72 GLY QA 4.460 . 4.460 3.112 2.173 4.430 . 0 0 "[ . 1 . 2]" 1
353 1 41 ILE QG 1 68 ILE MG 4.090 . 4.090 2.236 2.004 2.833 . 0 0 "[ . 1 . 2]" 1
354 1 41 ILE QG 1 69 ARG HA 4.810 . 4.810 3.659 1.934 4.863 0.053 4 0 "[ . 1 . 2]" 1
355 1 41 ILE MG 1 42 ASN H 5.020 . 5.020 3.475 3.171 3.835 . 0 0 "[ . 1 . 2]" 1
356 1 41 ILE MG 1 42 ASN HA 4.780 . 4.780 3.395 3.100 3.747 . 0 0 "[ . 1 . 2]" 1
357 1 41 ILE MG 1 42 ASN QD 4.780 . 4.780 3.901 2.189 4.827 0.047 8 0 "[ . 1 . 2]" 1
358 1 41 ILE MG 1 72 GLY H 4.990 . 4.990 4.112 3.363 5.045 0.055 16 0 "[ . 1 . 2]" 1
359 1 41 ILE MG 1 72 GLY HA2 4.320 . 4.320 2.726 1.828 4.510 0.190 1 0 "[ . 1 . 2]" 1
360 1 41 ILE MG 1 72 GLY HA3 4.320 . 4.320 2.630 1.895 4.173 . 0 0 "[ . 1 . 2]" 1
361 1 41 ILE MG 1 73 LYS H 4.840 . 4.840 3.607 1.877 4.823 . 0 0 "[ . 1 . 2]" 1
362 1 42 ASN QB 1 43 LEU H 4.360 . 4.360 2.945 2.420 3.537 . 0 0 "[ . 1 . 2]" 1
363 1 42 ASN HB2 1 43 LEU H 4.950 . 4.950 3.502 2.717 4.063 . 0 0 "[ . 1 . 2]" 1
364 1 42 ASN HB3 1 43 LEU H 4.950 . 4.950 3.513 2.450 4.392 . 0 0 "[ . 1 . 2]" 1
365 1 43 LEU H 1 43 LEU HB2 3.730 . 3.730 2.423 2.312 2.651 . 0 0 "[ . 1 . 2]" 1
366 1 43 LEU H 1 43 LEU HB3 4.290 . 4.290 3.632 3.575 3.785 . 0 0 "[ . 1 . 2]" 1
367 1 43 LEU H 1 43 LEU MD1 4.480 . 4.480 3.793 3.578 4.125 . 0 0 "[ . 1 . 2]" 1
368 1 43 LEU H 1 43 LEU MD2 4.530 . 4.530 3.684 3.511 3.933 . 0 0 "[ . 1 . 2]" 1
369 1 43 LEU H 1 43 LEU HG 3.950 . 3.950 2.702 2.388 3.062 . 0 0 "[ . 1 . 2]" 1
370 1 43 LEU HA 1 43 LEU MD1 4.460 . 4.460 3.925 3.903 3.943 . 0 0 "[ . 1 . 2]" 1
371 1 43 LEU HA 1 43 LEU MD2 3.410 . 3.410 2.063 2.007 2.152 . 0 0 "[ . 1 . 2]" 1
372 1 43 LEU HA 1 44 PRO HD2 3.630 . 3.630 2.505 2.074 2.747 . 0 0 "[ . 1 . 2]" 1
373 1 43 LEU HA 1 44 PRO QD 3.140 . 3.140 2.029 1.925 2.208 . 0 0 "[ . 1 . 2]" 1
374 1 43 LEU HA 1 44 PRO HD3 3.630 . 3.630 2.227 1.965 2.591 . 0 0 "[ . 1 . 2]" 1
375 1 43 LEU HB2 1 43 LEU MD1 3.660 . 3.660 2.372 2.327 2.417 . 0 0 "[ . 1 . 2]" 1
376 1 43 LEU HB2 1 48 PHE QB 4.890 . 4.890 3.238 2.686 4.119 . 0 0 "[ . 1 . 2]" 1
377 1 43 LEU HB3 1 48 PHE H 4.940 . 4.940 3.814 3.246 4.443 . 0 0 "[ . 1 . 2]" 1
378 1 43 LEU HB3 1 48 PHE QD 3.860 . 3.860 2.771 2.406 3.022 . 0 0 "[ . 1 . 2]" 1
379 1 43 LEU HB3 1 48 PHE QE 5.120 . 5.120 4.867 4.087 5.204 0.084 20 0 "[ . 1 . 2]" 1
380 1 43 LEU MD1 1 47 ASP HB2 5.170 . 5.170 4.895 4.189 5.226 0.056 4 0 "[ . 1 . 2]" 1
381 1 43 LEU MD1 1 47 ASP HB3 5.170 . 5.170 4.838 3.791 5.237 0.067 6 0 "[ . 1 . 2]" 1
382 1 43 LEU MD1 1 48 PHE HA 4.120 . 4.120 3.254 2.433 4.119 . 0 0 "[ . 1 . 2]" 1
383 1 43 LEU MD1 1 48 PHE QD 4.010 . 4.010 2.193 1.827 3.362 . 0 0 "[ . 1 . 2]" 1
384 1 43 LEU MD2 1 44 PRO HD2 4.320 . 4.320 3.297 2.423 3.853 . 0 0 "[ . 1 . 2]" 1
385 1 43 LEU MD2 1 44 PRO QD 3.730 . 3.730 3.005 2.361 3.516 . 0 0 "[ . 1 . 2]" 1
386 1 43 LEU MD2 1 44 PRO HD3 4.320 . 4.320 3.560 3.143 4.060 . 0 0 "[ . 1 . 2]" 1
387 1 43 LEU MD2 1 47 ASP H 5.690 . 5.690 5.574 4.903 5.820 0.130 2 0 "[ . 1 . 2]" 1
388 1 43 LEU MD2 1 47 ASP HB2 4.020 . 4.020 3.484 2.805 3.802 . 0 0 "[ . 1 . 2]" 1
389 1 43 LEU MD2 1 47 ASP QB 3.520 . 3.520 2.983 1.980 3.416 . 0 0 "[ . 1 . 2]" 1
390 1 43 LEU MD2 1 47 ASP HB3 4.020 . 4.020 3.272 2.024 4.019 . 0 0 "[ . 1 . 2]" 1
391 1 43 LEU MD2 1 48 PHE HA 5.630 . 5.630 4.176 3.552 5.114 . 0 0 "[ . 1 . 2]" 1
392 1 43 LEU MD2 1 48 PHE QD 5.780 . 5.780 4.051 3.455 4.540 . 0 0 "[ . 1 . 2]" 1
393 1 44 PRO HA 1 45 VAL H 3.280 . 3.280 2.407 2.198 2.709 . 0 0 "[ . 1 . 2]" 1
394 1 44 PRO QB 1 45 VAL H 3.580 . 3.580 2.805 2.343 3.292 . 0 0 "[ . 1 . 2]" 1
395 1 44 PRO QB 1 46 VAL H 3.520 . 3.520 3.183 2.770 3.566 0.046 6 0 "[ . 1 . 2]" 1
396 1 44 PRO QB 1 47 ASP H 4.800 . 4.800 3.118 2.428 3.828 . 0 0 "[ . 1 . 2]" 1
397 1 44 PRO QD 1 47 ASP QB 4.150 . 4.150 2.378 1.834 3.132 . 0 0 "[ . 1 . 2]" 1
398 1 44 PRO QG 1 47 ASP H 4.910 . 4.910 4.057 2.761 4.735 . 0 0 "[ . 1 . 2]" 1
399 1 44 PRO QG 1 47 ASP QB 4.260 . 4.260 3.444 2.244 4.112 . 0 0 "[ . 1 . 2]" 1
400 1 45 VAL H 1 45 VAL HB 3.750 . 3.750 2.581 2.441 2.708 . 0 0 "[ . 1 . 2]" 1
401 1 45 VAL H 1 45 VAL MG1 4.130 . 4.130 3.830 3.786 3.854 . 0 0 "[ . 1 . 2]" 1
402 1 45 VAL H 1 45 VAL MG2 3.580 . 3.580 2.067 1.896 2.182 . 0 0 "[ . 1 . 2]" 1
403 1 45 VAL HA 1 45 VAL MG1 3.740 . 3.740 2.510 2.453 2.591 . 0 0 "[ . 1 . 2]" 1
404 1 45 VAL HA 1 45 VAL MG2 3.620 . 3.620 2.403 2.315 2.462 . 0 0 "[ . 1 . 2]" 1
405 1 45 VAL HA 1 47 ASP H 5.670 . 5.670 4.730 4.525 5.095 . 0 0 "[ . 1 . 2]" 1
406 1 45 VAL HA 1 48 PHE H 5.020 . 5.020 3.635 3.365 4.045 . 0 0 "[ . 1 . 2]" 1
407 1 45 VAL HA 1 48 PHE HB2 4.590 . 4.590 3.613 2.783 4.582 . 0 0 "[ . 1 . 2]" 1
408 1 45 VAL HA 1 48 PHE QB 3.820 . 3.820 2.673 2.429 3.253 . 0 0 "[ . 1 . 2]" 1
409 1 45 VAL HA 1 48 PHE HB3 4.590 . 4.590 2.765 2.513 3.328 . 0 0 "[ . 1 . 2]" 1
410 1 45 VAL HA 1 48 PHE QD 5.780 . 5.780 4.223 3.692 4.586 . 0 0 "[ . 1 . 2]" 1
411 1 45 VAL HA 1 49 ASN H 5.060 . 5.060 3.952 3.680 4.193 . 0 0 "[ . 1 . 2]" 1
412 1 45 VAL HA 1 69 ARG QH1 4.890 . 4.890 3.630 1.807 4.939 0.049 4 0 "[ . 1 . 2]" 1
413 1 45 VAL HB 1 46 VAL H 4.180 . 4.180 2.719 2.528 3.015 . 0 0 "[ . 1 . 2]" 1
414 1 45 VAL MG1 1 46 VAL H 3.980 . 3.980 3.456 3.051 3.675 . 0 0 "[ . 1 . 2]" 1
415 1 45 VAL MG1 1 46 VAL HA 4.640 . 4.640 3.515 3.159 3.794 . 0 0 "[ . 1 . 2]" 1
416 1 45 VAL MG1 1 49 ASN HD21 4.230 . 4.230 3.075 2.531 4.304 0.074 2 0 "[ . 1 . 2]" 1
417 1 45 VAL MG1 1 49 ASN QD 3.650 . 3.650 2.262 1.772 3.172 . 0 0 "[ . 1 . 2]" 1
418 1 45 VAL MG1 1 49 ASN HD22 4.230 . 4.230 2.352 1.787 3.266 . 0 0 "[ . 1 . 2]" 1
419 1 45 VAL MG2 1 46 VAL H 5.490 . 5.490 3.956 3.864 4.130 . 0 0 "[ . 1 . 2]" 1
420 1 45 VAL MG2 1 48 PHE QD 5.020 . 5.020 5.114 4.797 5.254 0.234 20 0 "[ . 1 . 2]" 1
421 1 45 VAL MG2 1 49 ASN QD 4.740 . 4.740 4.361 3.747 4.831 0.091 3 0 "[ . 1 . 2]" 1
422 1 45 VAL MG2 1 69 ARG HE 5.740 . 5.740 4.089 2.306 5.662 . 0 0 "[ . 1 . 2]" 1
423 1 45 VAL MG2 1 69 ARG QH1 4.790 . 4.790 2.813 1.774 4.421 . 0 0 "[ . 1 . 2]" 1
424 1 45 VAL MG2 1 69 ARG QH2 5.430 . 5.430 3.716 1.811 4.883 . 0 0 "[ . 1 . 2]" 1
425 1 46 VAL H 1 46 VAL HB 3.630 . 3.630 2.605 2.484 2.689 . 0 0 "[ . 1 . 2]" 1
426 1 46 VAL H 1 46 VAL MG1 3.970 . 3.970 3.825 3.793 3.843 . 0 0 "[ . 1 . 2]" 1
427 1 46 VAL H 1 46 VAL MG2 3.450 . 3.450 2.037 1.924 2.120 . 0 0 "[ . 1 . 2]" 1
428 1 46 VAL H 1 47 ASP H 4.030 . 4.030 2.818 2.694 2.916 . 0 0 "[ . 1 . 2]" 1
429 1 46 VAL HA 1 46 VAL MG1 3.740 . 3.740 2.472 2.413 2.523 . 0 0 "[ . 1 . 2]" 1
430 1 46 VAL HA 1 46 VAL MG2 3.460 . 3.460 2.461 2.395 2.528 . 0 0 "[ . 1 . 2]" 1
431 1 46 VAL HA 1 49 ASN H 5.160 . 5.160 3.855 3.532 4.275 . 0 0 "[ . 1 . 2]" 1
432 1 46 VAL HA 1 49 ASN HB2 4.320 . 4.320 3.167 2.707 3.649 . 0 0 "[ . 1 . 2]" 1
433 1 46 VAL HA 1 49 ASN HB3 5.050 . 5.050 4.749 4.218 5.200 0.150 11 0 "[ . 1 . 2]" 1
434 1 46 VAL HB 1 47 ASP H 4.390 . 4.390 2.471 2.334 2.745 . 0 0 "[ . 1 . 2]" 1
435 1 46 VAL MG1 1 47 ASP H 4.220 . 4.220 3.372 3.159 3.604 . 0 0 "[ . 1 . 2]" 1
436 1 46 VAL MG1 1 47 ASP HA 4.690 . 4.690 3.534 3.335 3.784 . 0 0 "[ . 1 . 2]" 1
437 1 46 VAL MG2 1 47 ASP H 4.500 . 4.500 3.789 3.667 3.956 . 0 0 "[ . 1 . 2]" 1
438 1 47 ASP H 1 48 PHE H 4.130 . 4.130 2.637 2.504 2.748 . 0 0 "[ . 1 . 2]" 1
439 1 47 ASP H 1 49 ASN H 4.890 . 4.890 4.258 3.983 4.679 . 0 0 "[ . 1 . 2]" 1
440 1 47 ASP HA 1 50 GLU H 4.430 . 4.430 3.745 3.425 4.154 . 0 0 "[ . 1 . 2]" 1
441 1 47 ASP HA 1 50 GLU HB2 4.780 . 4.780 3.551 2.741 4.045 . 0 0 "[ . 1 . 2]" 1
442 1 47 ASP HA 1 50 GLU QB 4.170 . 4.170 2.991 2.597 3.633 . 0 0 "[ . 1 . 2]" 1
443 1 47 ASP HA 1 50 GLU HB3 4.780 . 4.780 3.366 2.685 4.357 . 0 0 "[ . 1 . 2]" 1
444 1 47 ASP QB 1 48 PHE H 4.350 . 4.350 2.683 2.545 2.768 . 0 0 "[ . 1 . 2]" 1
445 1 48 PHE H 1 48 PHE HB2 4.330 . 4.330 2.501 2.290 2.748 . 0 0 "[ . 1 . 2]" 1
446 1 48 PHE H 1 48 PHE QB 3.750 . 3.750 2.277 2.216 2.365 . 0 0 "[ . 1 . 2]" 1
447 1 48 PHE H 1 48 PHE HB3 4.330 . 4.330 2.653 2.510 3.014 . 0 0 "[ . 1 . 2]" 1
448 1 48 PHE HA 1 48 PHE QD 3.910 . 3.910 2.691 2.112 3.104 . 0 0 "[ . 1 . 2]" 1
449 1 48 PHE QB 1 49 ASN H 4.030 . 4.030 2.709 2.292 2.883 . 0 0 "[ . 1 . 2]" 1
450 1 48 PHE QD 1 49 ASN H 5.370 . 5.370 3.994 3.723 4.348 . 0 0 "[ . 1 . 2]" 1
451 1 48 PHE QD 1 65 ILE MG 4.330 . 4.330 3.579 2.801 4.148 . 0 0 "[ . 1 . 2]" 1
452 1 48 PHE QE 1 65 ILE HB 5.780 . 5.780 4.398 3.996 5.179 . 0 0 "[ . 1 . 2]" 1
453 1 48 PHE QE 1 65 ILE MD 4.940 . 4.940 2.865 1.725 4.410 . 0 0 "[ . 1 . 2]" 1
454 1 48 PHE QE 1 65 ILE MG 4.050 . 4.050 2.354 1.841 2.821 . 0 0 "[ . 1 . 2]" 1
455 1 48 PHE HZ 1 65 ILE MG 3.710 . 3.710 2.575 1.755 3.639 . 0 0 "[ . 1 . 2]" 1
456 1 49 ASN H 1 49 ASN HB2 3.760 . 3.760 2.413 2.265 2.531 . 0 0 "[ . 1 . 2]" 1
457 1 49 ASN H 1 49 ASN HB3 4.320 . 4.320 3.618 3.557 3.664 . 0 0 "[ . 1 . 2]" 1
458 1 49 ASN H 1 50 GLU H 4.030 . 4.030 2.691 2.576 2.837 . 0 0 "[ . 1 . 2]" 1
459 1 49 ASN HA 1 52 MET H 4.600 . 4.600 3.316 2.875 3.700 . 0 0 "[ . 1 . 2]" 1
460 1 49 ASN HA 1 52 MET QB 4.010 . 4.010 2.703 1.760 4.084 0.074 12 0 "[ . 1 . 2]" 1
461 1 49 ASN HB2 1 50 GLU H 4.150 . 4.150 2.927 2.462 3.174 . 0 0 "[ . 1 . 2]" 1
462 1 49 ASN HB3 1 50 GLU H 4.460 . 4.460 3.703 3.466 3.872 . 0 0 "[ . 1 . 2]" 1
463 1 50 GLU H 1 50 GLU HB2 3.730 . 3.730 2.506 2.250 2.633 . 0 0 "[ . 1 . 2]" 1
464 1 50 GLU H 1 50 GLU QB 3.260 . 3.260 2.254 2.180 2.517 . 0 0 "[ . 1 . 2]" 1
465 1 50 GLU H 1 50 GLU HB3 3.730 . 3.730 2.639 2.367 3.634 . 0 0 "[ . 1 . 2]" 1
466 1 50 GLU H 1 50 GLU HG2 4.810 . 4.810 4.397 2.345 4.648 . 0 0 "[ . 1 . 2]" 1
467 1 50 GLU H 1 50 GLU HG3 4.810 . 4.810 4.462 3.808 4.596 . 0 0 "[ . 1 . 2]" 1
468 1 50 GLU QB 1 51 MET H 4.370 . 4.370 2.561 2.357 3.026 . 0 0 "[ . 1 . 2]" 1
469 1 50 GLU QG 1 51 MET H 5.610 . 5.610 3.758 3.320 4.821 . 0 0 "[ . 1 . 2]" 1
470 1 51 MET H 1 51 MET HB2 3.520 . 3.520 2.547 2.448 2.691 . 0 0 "[ . 1 . 2]" 1
471 1 51 MET H 1 51 MET HB3 3.520 . 3.520 2.558 2.367 3.603 0.083 1 0 "[ . 1 . 2]" 1
472 1 51 MET H 1 51 MET QG 4.530 . 4.530 4.000 3.252 4.089 . 0 0 "[ . 1 . 2]" 1
473 1 51 MET HA 1 51 MET HG2 4.390 . 4.390 3.589 3.113 3.943 . 0 0 "[ . 1 . 2]" 1
474 1 51 MET HA 1 51 MET HG3 4.390 . 4.390 2.940 2.543 3.377 . 0 0 "[ . 1 . 2]" 1
475 1 51 MET QB 1 52 MET H 3.890 . 3.890 2.571 2.284 2.724 . 0 0 "[ . 1 . 2]" 1
476 1 51 MET QG 1 52 MET H 5.120 . 5.120 3.676 3.253 4.535 . 0 0 "[ . 1 . 2]" 1
477 1 52 MET H 1 52 MET QB 3.520 . 3.520 2.329 2.158 2.633 . 0 0 "[ . 1 . 2]" 1
478 1 52 MET H 1 52 MET QG 4.230 . 4.230 3.411 2.152 4.066 . 0 0 "[ . 1 . 2]" 1
479 1 52 MET H 1 53 SER H 3.780 . 3.780 2.618 2.473 2.800 . 0 0 "[ . 1 . 2]" 1
480 1 52 MET HA 1 57 PHE QD 4.200 . 4.200 3.641 2.731 4.246 0.046 12 0 "[ . 1 . 2]" 1
481 1 52 MET QB 1 53 SER H 3.960 . 3.960 3.126 2.762 3.793 . 0 0 "[ . 1 . 2]" 1
482 1 52 MET QB 1 57 PHE QD 3.810 . 3.810 3.351 2.398 3.861 0.051 2 0 "[ . 1 . 2]" 1
483 1 53 SER H 1 53 SER QB 3.490 . 3.490 2.358 2.251 2.530 . 0 0 "[ . 1 . 2]" 1
484 1 53 SER H 1 54 LYS H 4.020 . 4.020 2.660 2.384 2.985 . 0 0 "[ . 1 . 2]" 1
485 1 53 SER QB 1 54 LYS QG 4.830 . 4.830 3.820 2.908 5.187 0.357 15 0 "[ . 1 . 2]" 1
486 1 54 LYS H 1 54 LYS QB 3.810 . 3.810 2.429 2.181 2.870 . 0 0 "[ . 1 . 2]" 1
487 1 54 LYS H 1 54 LYS QD 5.780 . 5.780 4.037 3.308 4.489 . 0 0 "[ . 1 . 2]" 1
488 1 54 LYS H 1 54 LYS HG2 5.040 . 5.040 3.510 1.983 4.476 . 0 0 "[ . 1 . 2]" 1
489 1 54 LYS H 1 54 LYS QG 4.370 . 4.370 2.788 1.958 4.034 . 0 0 "[ . 1 . 2]" 1
490 1 54 LYS H 1 54 LYS HG3 5.040 . 5.040 3.253 2.219 4.636 . 0 0 "[ . 1 . 2]" 1
491 1 54 LYS HA 1 54 LYS QD 4.750 . 4.750 3.693 2.027 4.510 . 0 0 "[ . 1 . 2]" 1
492 1 54 LYS HA 1 54 LYS HG2 4.460 . 4.460 2.829 2.458 3.775 . 0 0 "[ . 1 . 2]" 1
493 1 54 LYS HA 1 54 LYS HG3 4.460 . 4.460 3.329 2.561 3.868 . 0 0 "[ . 1 . 2]" 1
494 1 55 GLU H 1 55 GLU HG2 4.760 . 4.760 3.225 2.234 4.381 . 0 0 "[ . 1 . 2]" 1
495 1 55 GLU H 1 55 GLU HG3 4.760 . 4.760 3.583 2.559 4.702 . 0 0 "[ . 1 . 2]" 1
496 1 55 GLU H 1 56 GLN H 4.740 . 4.740 3.930 1.914 4.633 . 0 0 "[ . 1 . 2]" 1
497 1 55 GLU HA 1 56 GLN H 3.380 . 3.380 2.304 2.109 3.502 0.122 10 0 "[ . 1 . 2]" 1
498 1 55 GLU QB 1 56 GLN H 3.790 . 3.790 3.552 2.783 3.877 0.087 9 0 "[ . 1 . 2]" 1
499 1 55 GLU HB2 1 56 GLN H 4.580 . 4.580 4.214 2.864 4.678 0.098 7 0 "[ . 1 . 2]" 1
500 1 55 GLU HB3 1 56 GLN H 4.580 . 4.580 3.928 2.968 4.398 . 0 0 "[ . 1 . 2]" 1
501 1 56 GLN H 1 56 GLN HB2 4.240 . 4.240 2.885 2.372 3.689 . 0 0 "[ . 1 . 2]" 1
502 1 56 GLN H 1 56 GLN QB 3.590 . 3.590 2.487 2.267 3.412 . 0 0 "[ . 1 . 2]" 1
503 1 56 GLN H 1 56 GLN HB3 4.240 . 4.240 3.077 2.444 4.147 . 0 0 "[ . 1 . 2]" 1
504 1 56 GLN H 1 56 GLN QG 4.330 . 4.330 2.964 1.802 4.059 . 0 0 "[ . 1 . 2]" 1
505 1 56 GLN HA 1 56 GLN QG 3.920 . 3.920 2.726 2.416 3.531 . 0 0 "[ . 1 . 2]" 1
506 1 56 GLN HA 1 57 PHE H 3.310 . 3.310 2.325 2.134 3.188 . 0 0 "[ . 1 . 2]" 1
507 1 56 GLN QB 1 57 PHE H 4.610 . 4.610 3.318 2.082 4.025 . 0 0 "[ . 1 . 2]" 1
508 1 56 GLN QG 1 57 PHE H 5.010 . 5.010 3.781 2.640 4.487 . 0 0 "[ . 1 . 2]" 1
509 1 57 PHE H 1 57 PHE HB2 3.900 . 3.900 2.707 2.549 3.659 . 0 0 "[ . 1 . 2]" 1
510 1 57 PHE H 1 57 PHE QD 4.610 . 4.610 2.878 2.263 3.499 . 0 0 "[ . 1 . 2]" 1
511 1 57 PHE H 1 62 LEU MD1 5.130 . 5.130 3.596 2.748 4.826 . 0 0 "[ . 1 . 2]" 1
512 1 57 PHE H 1 62 LEU MD2 5.150 . 5.150 3.244 1.964 5.021 . 0 0 "[ . 1 . 2]" 1
513 1 57 PHE HA 1 57 PHE QD 3.320 . 3.320 2.784 2.483 3.066 . 0 0 "[ . 1 . 2]" 1
514 1 57 PHE HB2 1 58 ASN H 5.060 . 5.060 3.544 3.138 4.206 . 0 0 "[ . 1 . 2]" 1
515 1 57 PHE HB2 1 62 LEU MD1 5.380 . 5.380 3.297 2.716 3.765 . 0 0 "[ . 1 . 2]" 1
516 1 57 PHE HB2 1 62 LEU MD2 4.220 . 4.220 2.184 1.998 2.716 . 0 0 "[ . 1 . 2]" 1
517 1 57 PHE HB2 1 62 LEU HG 4.600 . 4.600 2.458 1.915 2.808 . 0 0 "[ . 1 . 2]" 1
518 1 57 PHE HB3 1 58 ASN H 4.630 . 4.630 2.518 2.196 3.262 . 0 0 "[ . 1 . 2]" 1
519 1 57 PHE HB3 1 61 GLN HB2 5.030 . 5.030 2.568 1.941 3.917 . 0 0 "[ . 1 . 2]" 1
520 1 57 PHE HB3 1 61 GLN QB 4.210 . 4.210 2.353 1.891 2.647 . 0 0 "[ . 1 . 2]" 1
521 1 57 PHE HB3 1 61 GLN HB3 5.030 . 5.030 2.874 2.444 3.489 . 0 0 "[ . 1 . 2]" 1
522 1 57 PHE HB3 1 62 LEU H 5.010 . 5.010 4.090 3.516 4.694 . 0 0 "[ . 1 . 2]" 1
523 1 57 PHE HB3 1 62 LEU MD1 5.440 . 5.440 4.509 3.949 5.039 . 0 0 "[ . 1 . 2]" 1
524 1 57 PHE HB3 1 62 LEU MD2 4.420 . 4.420 3.459 2.902 4.163 . 0 0 "[ . 1 . 2]" 1
525 1 57 PHE HB3 1 62 LEU HG 4.780 . 4.780 3.432 2.669 3.990 . 0 0 "[ . 1 . 2]" 1
526 1 57 PHE QD 1 58 ASN H 5.400 . 5.400 3.970 3.629 4.227 . 0 0 "[ . 1 . 2]" 1
527 1 57 PHE QD 1 62 LEU MD1 4.820 . 4.820 4.107 3.147 4.548 . 0 0 "[ . 1 . 2]" 1
528 1 57 PHE QD 1 62 LEU MD2 3.690 . 3.690 2.276 1.905 2.994 . 0 0 "[ . 1 . 2]" 1
529 1 57 PHE QD 1 65 ILE MD 3.980 . 3.980 3.236 2.594 3.928 . 0 0 "[ . 1 . 2]" 1
530 1 57 PHE QE 1 65 ILE MD 4.680 . 4.680 3.620 3.009 4.391 . 0 0 "[ . 1 . 2]" 1
531 1 58 ASN H 1 61 GLN HB2 5.130 . 5.130 2.769 2.161 3.143 . 0 0 "[ . 1 . 2]" 1
532 1 58 ASN H 1 61 GLN QB 4.220 . 4.220 2.696 2.140 3.049 . 0 0 "[ . 1 . 2]" 1
533 1 58 ASN H 1 61 GLN HB3 5.130 . 5.130 3.933 2.742 4.334 . 0 0 "[ . 1 . 2]" 1
534 1 58 ASN H 1 61 GLN QE 5.610 . 5.610 3.490 1.796 4.126 . 0 0 "[ . 1 . 2]" 1
535 1 58 ASN HB2 1 58 ASN HD22 4.130 . 4.130 3.620 3.485 4.063 . 0 0 "[ . 1 . 2]" 1
536 1 58 ASN HB2 1 59 GLU H 4.170 . 4.170 3.804 3.457 4.126 . 0 0 "[ . 1 . 2]" 1
537 1 58 ASN HB3 1 59 GLU H 3.610 . 3.610 2.815 2.301 3.757 0.147 18 0 "[ . 1 . 2]" 1
538 1 59 GLU H 1 59 GLU QB 3.450 . 3.450 2.594 2.252 2.877 . 0 0 "[ . 1 . 2]" 1
539 1 59 GLU H 1 59 GLU HG2 4.670 . 4.670 2.586 1.986 4.497 . 0 0 "[ . 1 . 2]" 1
540 1 59 GLU H 1 59 GLU QG 4.010 . 4.010 2.169 1.899 4.010 . 0 0 "[ . 1 . 2]" 1
541 1 59 GLU H 1 59 GLU HG3 4.670 . 4.670 3.007 1.907 4.505 . 0 0 "[ . 1 . 2]" 1
542 1 59 GLU H 1 60 ALA H 3.620 . 3.620 2.826 2.689 2.972 . 0 0 "[ . 1 . 2]" 1
543 1 59 GLU H 1 62 LEU MD1 5.620 . 5.620 4.258 3.859 4.677 . 0 0 "[ . 1 . 2]" 1
544 1 59 GLU HA 1 62 LEU H 4.580 . 4.580 3.595 3.229 3.871 . 0 0 "[ . 1 . 2]" 1
545 1 59 GLU HA 1 62 LEU HB2 3.960 . 3.960 2.769 2.516 3.088 . 0 0 "[ . 1 . 2]" 1
546 1 59 GLU HA 1 62 LEU HB3 5.270 . 5.270 4.363 4.038 4.693 . 0 0 "[ . 1 . 2]" 1
547 1 59 GLU HA 1 62 LEU MD1 3.940 . 3.940 2.552 2.000 3.316 . 0 0 "[ . 1 . 2]" 1
548 1 59 GLU HA 1 62 LEU MD2 5.780 . 5.780 4.893 4.298 5.293 . 0 0 "[ . 1 . 2]" 1
549 1 59 GLU HA 1 63 ALA H 5.070 . 5.070 4.196 3.957 4.433 . 0 0 "[ . 1 . 2]" 1
550 1 59 GLU QB 1 60 ALA H 3.690 . 3.690 3.366 2.447 3.609 . 0 0 "[ . 1 . 2]" 1
551 1 59 GLU QB 1 60 ALA MB 4.940 . 4.940 4.467 3.658 4.733 . 0 0 "[ . 1 . 2]" 1
552 1 59 GLU QG 1 60 ALA H 4.880 . 4.880 2.639 2.051 3.843 . 0 0 "[ . 1 . 2]" 1
553 1 59 GLU QG 1 60 ALA MB 4.870 . 4.870 3.554 2.885 5.064 0.194 18 0 "[ . 1 . 2]" 1
554 1 59 GLU HG2 1 60 ALA H 5.780 . 5.780 3.269 2.690 4.864 . 0 0 "[ . 1 . 2]" 1
555 1 59 GLU HG3 1 60 ALA H 5.780 . 5.780 2.835 2.108 4.820 . 0 0 "[ . 1 . 2]" 1
556 1 60 ALA H 1 60 ALA MB 3.110 . 3.110 2.258 2.201 2.296 . 0 0 "[ . 1 . 2]" 1
557 1 60 ALA H 1 61 GLN H 3.840 . 3.840 2.636 2.494 2.896 . 0 0 "[ . 1 . 2]" 1
558 1 60 ALA HA 1 63 ALA H 4.300 . 4.300 3.572 2.979 3.891 . 0 0 "[ . 1 . 2]" 1
559 1 60 ALA HA 1 63 ALA MB 3.500 . 3.500 2.673 2.093 3.012 . 0 0 "[ . 1 . 2]" 1
560 1 60 ALA MB 1 61 GLN H 3.890 . 3.890 2.604 2.423 2.790 . 0 0 "[ . 1 . 2]" 1
561 1 61 GLN H 1 61 GLN HB2 4.350 . 4.350 2.465 2.222 2.553 . 0 0 "[ . 1 . 2]" 1
562 1 61 GLN H 1 61 GLN QB 3.800 . 3.800 2.422 2.138 2.505 . 0 0 "[ . 1 . 2]" 1
563 1 61 GLN H 1 61 GLN HB3 4.350 . 4.350 3.572 2.778 3.634 . 0 0 "[ . 1 . 2]" 1
564 1 61 GLN H 1 61 GLN HG2 5.070 . 5.070 3.572 3.303 4.548 . 0 0 "[ . 1 . 2]" 1
565 1 61 GLN H 1 61 GLN HG3 3.980 . 3.980 2.446 2.194 4.215 0.235 7 0 "[ . 1 . 2]" 1
566 1 61 GLN HA 1 61 GLN HG2 4.400 . 4.400 2.600 2.513 2.920 . 0 0 "[ . 1 . 2]" 1
567 1 61 GLN HA 1 63 ALA H 5.500 . 5.500 4.483 4.297 4.715 . 0 0 "[ . 1 . 2]" 1
568 1 61 GLN HA 1 64 LEU H 4.910 . 4.910 3.719 3.506 4.267 . 0 0 "[ . 1 . 2]" 1
569 1 61 GLN QB 1 62 LEU H 3.690 . 3.690 2.445 2.264 2.664 . 0 0 "[ . 1 . 2]" 1
570 1 61 GLN QB 1 65 ILE MD 4.730 . 4.730 3.035 2.495 4.038 . 0 0 "[ . 1 . 2]" 1
571 1 61 GLN HB2 1 62 LEU H 4.270 . 4.270 2.553 2.301 3.620 . 0 0 "[ . 1 . 2]" 1
572 1 61 GLN HB3 1 62 LEU H 4.270 . 4.270 3.430 2.535 3.646 . 0 0 "[ . 1 . 2]" 1
573 1 62 LEU H 1 62 LEU HB2 3.800 . 3.800 2.451 2.369 2.528 . 0 0 "[ . 1 . 2]" 1
574 1 62 LEU H 1 62 LEU HB3 4.290 . 4.290 3.595 3.580 3.608 . 0 0 "[ . 1 . 2]" 1
575 1 62 LEU H 1 62 LEU MD1 4.560 . 4.560 3.616 3.499 3.735 . 0 0 "[ . 1 . 2]" 1
576 1 62 LEU H 1 62 LEU HG 3.960 . 3.960 2.348 2.186 2.570 . 0 0 "[ . 1 . 2]" 1
577 1 62 LEU H 1 63 ALA H 3.770 . 3.770 2.741 2.591 2.860 . 0 0 "[ . 1 . 2]" 1
578 1 62 LEU HA 1 62 LEU MD2 3.400 . 3.400 2.057 1.953 2.115 . 0 0 "[ . 1 . 2]" 1
579 1 62 LEU HA 1 64 LEU H 5.650 . 5.650 4.521 4.279 4.802 . 0 0 "[ . 1 . 2]" 1
580 1 62 LEU HA 1 65 ILE H 4.760 . 4.760 3.459 3.200 3.758 . 0 0 "[ . 1 . 2]" 1
581 1 62 LEU HA 1 65 ILE HB 3.950 . 3.950 2.457 2.030 2.858 . 0 0 "[ . 1 . 2]" 1
582 1 62 LEU HA 1 65 ILE MD 4.160 . 4.160 2.416 1.953 3.224 . 0 0 "[ . 1 . 2]" 1
583 1 62 LEU HB2 1 62 LEU MD1 3.500 . 3.500 2.372 2.342 2.405 . 0 0 "[ . 1 . 2]" 1
584 1 62 LEU HB2 1 62 LEU MD2 3.450 . 3.450 3.254 3.243 3.263 . 0 0 "[ . 1 . 2]" 1
585 1 62 LEU HB2 1 63 ALA H 3.870 . 3.870 2.718 2.448 3.034 . 0 0 "[ . 1 . 2]" 1
586 1 62 LEU HB2 1 63 ALA HA 4.830 . 4.830 4.479 4.327 4.620 . 0 0 "[ . 1 . 2]" 1
587 1 62 LEU HB3 1 63 ALA H 4.830 . 4.830 3.658 3.467 3.840 . 0 0 "[ . 1 . 2]" 1
588 1 62 LEU HB3 1 63 ALA HA 5.550 . 5.550 4.528 4.388 4.667 . 0 0 "[ . 1 . 2]" 1
589 1 62 LEU HB3 1 65 ILE MD 5.480 . 5.480 4.498 3.989 5.345 . 0 0 "[ . 1 . 2]" 1
590 1 62 LEU MD2 1 63 ALA H 5.780 . 5.780 4.767 4.692 4.842 . 0 0 "[ . 1 . 2]" 1
591 1 62 LEU MD2 1 65 ILE HB 4.740 . 4.740 3.498 2.984 4.004 . 0 0 "[ . 1 . 2]" 1
592 1 62 LEU MD2 1 65 ILE MD 4.020 . 4.020 2.301 1.919 3.059 . 0 0 "[ . 1 . 2]" 1
593 1 62 LEU MD2 1 66 ARG HE 5.090 . 5.090 4.912 4.342 5.178 0.088 14 0 "[ . 1 . 2]" 1
594 1 63 ALA H 1 63 ALA MB 3.140 . 3.140 2.242 2.223 2.259 . 0 0 "[ . 1 . 2]" 1
595 1 63 ALA H 1 64 LEU H 3.770 . 3.770 2.818 2.707 3.013 . 0 0 "[ . 1 . 2]" 1
596 1 63 ALA HA 1 66 ARG H 4.970 . 4.970 3.873 3.364 4.561 . 0 0 "[ . 1 . 2]" 1
597 1 63 ALA HA 1 66 ARG QB 4.840 . 4.840 3.255 2.617 4.028 . 0 0 "[ . 1 . 2]" 1
598 1 63 ALA HA 1 66 ARG QD 5.610 . 5.610 3.504 2.114 5.394 . 0 0 "[ . 1 . 2]" 1
599 1 63 ALA MB 1 64 LEU H 3.520 . 3.520 2.475 2.176 2.691 . 0 0 "[ . 1 . 2]" 1
600 1 63 ALA MB 1 66 ARG H 5.290 . 5.290 4.898 4.603 5.350 0.060 18 0 "[ . 1 . 2]" 1
601 1 64 LEU H 1 64 LEU HB2 3.760 . 3.760 2.543 2.427 2.659 . 0 0 "[ . 1 . 2]" 1
602 1 64 LEU H 1 64 LEU QB 3.190 . 3.190 2.249 2.210 2.282 . 0 0 "[ . 1 . 2]" 1
603 1 64 LEU H 1 64 LEU HB3 3.760 . 3.760 2.515 2.380 2.658 . 0 0 "[ . 1 . 2]" 1
604 1 64 LEU H 1 64 LEU MD1 4.740 . 4.740 4.178 4.070 4.270 . 0 0 "[ . 1 . 2]" 1
605 1 64 LEU H 1 64 LEU HG 5.060 . 5.060 4.511 4.429 4.578 . 0 0 "[ . 1 . 2]" 1
606 1 64 LEU H 1 65 ILE H 4.090 . 4.090 2.727 2.565 2.853 . 0 0 "[ . 1 . 2]" 1
607 1 64 LEU HA 1 64 LEU MD1 3.310 . 3.310 2.172 2.062 2.313 . 0 0 "[ . 1 . 2]" 1
608 1 64 LEU HA 1 67 ASP H 4.690 . 4.690 3.549 3.313 4.062 . 0 0 "[ . 1 . 2]" 1
609 1 64 LEU HA 1 67 ASP HB2 4.430 . 4.430 3.359 2.685 3.934 . 0 0 "[ . 1 . 2]" 1
610 1 64 LEU HA 1 67 ASP HB3 4.430 . 4.430 3.205 2.310 4.560 0.130 6 0 "[ . 1 . 2]" 1
611 1 64 LEU QB 1 65 ILE H 4.350 . 4.350 2.510 2.256 2.688 . 0 0 "[ . 1 . 2]" 1
612 1 64 LEU HB2 1 65 ILE H 5.190 . 5.190 3.862 3.677 3.992 . 0 0 "[ . 1 . 2]" 1
613 1 64 LEU HB3 1 65 ILE H 5.190 . 5.190 2.543 2.276 2.732 . 0 0 "[ . 1 . 2]" 1
614 1 64 LEU MD1 1 67 ASP HB2 5.150 . 5.150 3.864 2.508 4.556 . 0 0 "[ . 1 . 2]" 1
615 1 64 LEU MD1 1 67 ASP QB 4.320 . 4.320 2.888 2.465 4.087 . 0 0 "[ . 1 . 2]" 1
616 1 64 LEU MD1 1 67 ASP HB3 5.150 . 5.150 3.158 2.546 5.026 . 0 0 "[ . 1 . 2]" 1
617 1 64 LEU MD1 1 68 ILE H 4.860 . 4.860 4.036 3.577 4.659 . 0 0 "[ . 1 . 2]" 1
618 1 64 LEU MD1 1 68 ILE HG13 4.410 . 4.410 2.910 2.406 3.774 . 0 0 "[ . 1 . 2]" 1
619 1 64 LEU HG 1 68 ILE MD 3.940 . 3.940 2.233 1.930 2.490 . 0 0 "[ . 1 . 2]" 1
620 1 64 LEU HG 1 68 ILE HG13 4.640 . 4.640 2.753 2.402 3.329 . 0 0 "[ . 1 . 2]" 1
621 1 65 ILE H 1 65 ILE HB 4.030 . 4.030 2.428 2.243 2.496 . 0 0 "[ . 1 . 2]" 1
622 1 65 ILE H 1 65 ILE MD 4.570 . 4.570 3.594 3.483 3.685 . 0 0 "[ . 1 . 2]" 1
623 1 65 ILE H 1 65 ILE QG 3.110 . 3.110 2.254 2.102 2.588 . 0 0 "[ . 1 . 2]" 1
624 1 65 ILE H 1 65 ILE MG 4.790 . 4.790 3.786 3.704 3.817 . 0 0 "[ . 1 . 2]" 1
625 1 65 ILE H 1 66 ARG H 3.740 . 3.740 2.838 2.709 2.973 . 0 0 "[ . 1 . 2]" 1
626 1 65 ILE HA 1 65 ILE QG 3.770 . 3.770 2.397 2.306 2.457 . 0 0 "[ . 1 . 2]" 1
627 1 65 ILE HA 1 68 ILE H 4.860 . 4.860 3.586 3.186 4.023 . 0 0 "[ . 1 . 2]" 1
628 1 65 ILE HA 1 68 ILE HB 4.840 . 4.840 2.809 2.052 3.428 . 0 0 "[ . 1 . 2]" 1
629 1 65 ILE HA 1 68 ILE MD 4.270 . 4.270 2.825 2.004 3.709 . 0 0 "[ . 1 . 2]" 1
630 1 65 ILE HA 1 68 ILE MG 5.170 . 5.170 4.110 3.333 4.657 . 0 0 "[ . 1 . 2]" 1
631 1 65 ILE HB 1 66 ARG H 3.700 . 3.700 2.725 2.445 2.933 . 0 0 "[ . 1 . 2]" 1
632 1 65 ILE MD 1 65 ILE MG 3.450 . 3.450 2.043 1.972 2.100 . 0 0 "[ . 1 . 2]" 1
633 1 65 ILE MG 1 66 ARG H 4.380 . 4.380 3.267 2.818 3.541 . 0 0 "[ . 1 . 2]" 1
634 1 65 ILE MG 1 66 ARG HA 4.700 . 4.700 3.406 3.113 3.683 . 0 0 "[ . 1 . 2]" 1
635 1 65 ILE MG 1 69 ARG H 5.230 . 5.230 4.206 3.906 4.683 . 0 0 "[ . 1 . 2]" 1
636 1 65 ILE MG 1 69 ARG QB 3.950 . 3.950 3.608 2.995 4.152 0.202 20 0 "[ . 1 . 2]" 1
637 1 66 ARG H 1 66 ARG QB 3.400 . 3.400 2.403 2.166 2.751 . 0 0 "[ . 1 . 2]" 1
638 1 66 ARG H 1 66 ARG HG2 4.840 . 4.840 3.652 2.067 4.612 . 0 0 "[ . 1 . 2]" 1
639 1 66 ARG H 1 66 ARG QG 4.220 . 4.220 2.661 2.055 4.082 . 0 0 "[ . 1 . 2]" 1
640 1 66 ARG H 1 66 ARG HG3 4.840 . 4.840 2.933 2.162 4.553 . 0 0 "[ . 1 . 2]" 1
641 1 66 ARG H 1 67 ASP H 3.890 . 3.890 2.702 2.543 2.837 . 0 0 "[ . 1 . 2]" 1
642 1 66 ARG HA 1 66 ARG QG 3.810 . 3.810 2.560 2.415 3.198 . 0 0 "[ . 1 . 2]" 1
643 1 66 ARG HA 1 69 ARG H 4.600 . 4.600 3.720 3.344 4.468 . 0 0 "[ . 1 . 2]" 1
644 1 66 ARG HA 1 69 ARG QB 4.160 . 4.160 2.917 2.254 4.135 . 0 0 "[ . 1 . 2]" 1
645 1 66 ARG HA 1 70 ARG H 5.320 . 5.320 4.312 4.015 5.233 . 0 0 "[ . 1 . 2]" 1
646 1 66 ARG QB 1 67 ASP H 3.770 . 3.770 2.607 2.302 2.970 . 0 0 "[ . 1 . 2]" 1
647 1 66 ARG QB 1 67 ASP HA 4.300 . 4.300 4.005 3.714 4.158 . 0 0 "[ . 1 . 2]" 1
648 1 67 ASP H 1 67 ASP HB2 3.700 . 3.700 2.491 2.262 2.622 . 0 0 "[ . 1 . 2]" 1
649 1 67 ASP H 1 67 ASP QB 3.220 . 3.220 2.278 2.191 2.556 . 0 0 "[ . 1 . 2]" 1
650 1 67 ASP H 1 67 ASP HB3 3.700 . 3.700 2.764 2.452 3.637 . 0 0 "[ . 1 . 2]" 1
651 1 67 ASP H 1 68 ILE H 3.890 . 3.890 2.718 2.556 2.869 . 0 0 "[ . 1 . 2]" 1
652 1 67 ASP HA 1 70 ARG H 4.730 . 4.730 3.680 3.174 4.197 . 0 0 "[ . 1 . 2]" 1
653 1 67 ASP HA 1 70 ARG QB 4.300 . 4.300 3.114 2.396 4.235 . 0 0 "[ . 1 . 2]" 1
654 1 67 ASP QB 1 68 ILE H 4.110 . 4.110 2.547 2.383 2.831 . 0 0 "[ . 1 . 2]" 1
655 1 67 ASP HB2 1 68 ILE H 4.980 . 4.980 3.613 2.464 4.051 . 0 0 "[ . 1 . 2]" 1
656 1 67 ASP HB3 1 68 ILE H 4.980 . 4.980 2.777 2.408 3.687 . 0 0 "[ . 1 . 2]" 1
657 1 68 ILE H 1 68 ILE HB 4.140 . 4.140 2.468 2.258 2.567 . 0 0 "[ . 1 . 2]" 1
658 1 68 ILE H 1 68 ILE MD 4.260 . 4.260 3.664 3.469 3.787 . 0 0 "[ . 1 . 2]" 1
659 1 68 ILE H 1 68 ILE HG12 4.090 . 4.090 3.490 3.322 3.742 . 0 0 "[ . 1 . 2]" 1
660 1 68 ILE H 1 68 ILE HG13 3.500 . 3.500 2.259 2.079 2.573 . 0 0 "[ . 1 . 2]" 1
661 1 68 ILE H 1 68 ILE MG 4.620 . 4.620 3.798 3.701 3.838 . 0 0 "[ . 1 . 2]" 1
662 1 68 ILE H 1 69 ARG H 3.840 . 3.840 2.719 2.505 2.905 . 0 0 "[ . 1 . 2]" 1
663 1 68 ILE HA 1 68 ILE HG12 3.940 . 3.940 2.559 2.444 2.722 . 0 0 "[ . 1 . 2]" 1
664 1 68 ILE HA 1 68 ILE MG 3.690 . 3.690 2.554 2.479 2.667 . 0 0 "[ . 1 . 2]" 1
665 1 68 ILE HA 1 71 ARG H 5.060 . 5.060 3.596 3.028 4.060 . 0 0 "[ . 1 . 2]" 1
666 1 68 ILE HB 1 68 ILE MD 3.640 . 3.640 2.498 2.423 2.549 . 0 0 "[ . 1 . 2]" 1
667 1 68 ILE HB 1 69 ARG H 4.360 . 4.360 2.707 2.508 2.940 . 0 0 "[ . 1 . 2]" 1
668 1 68 ILE MG 1 69 ARG H 4.460 . 4.460 3.394 3.167 3.655 . 0 0 "[ . 1 . 2]" 1
669 1 68 ILE MG 1 69 ARG HA 4.630 . 4.630 3.466 3.104 3.725 . 0 0 "[ . 1 . 2]" 1
670 1 69 ARG H 1 69 ARG QB 3.510 . 3.510 2.295 2.124 2.560 . 0 0 "[ . 1 . 2]" 1
671 1 69 ARG H 1 69 ARG QG 4.570 . 4.570 3.238 2.342 4.077 . 0 0 "[ . 1 . 2]" 1
672 1 69 ARG H 1 70 ARG H 3.860 . 3.860 2.689 2.554 2.870 . 0 0 "[ . 1 . 2]" 1
673 1 69 ARG HA 1 69 ARG QD 4.770 . 4.770 3.728 1.971 4.320 . 0 0 "[ . 1 . 2]" 1
674 1 69 ARG QB 1 70 ARG H 4.340 . 4.340 2.785 2.469 3.681 . 0 0 "[ . 1 . 2]" 1
675 1 69 ARG HB2 1 70 ARG H 5.130 . 5.130 3.438 2.540 4.131 . 0 0 "[ . 1 . 2]" 1
676 1 69 ARG HB3 1 70 ARG H 5.130 . 5.130 3.237 2.499 4.145 . 0 0 "[ . 1 . 2]" 1
677 1 70 ARG H 1 70 ARG QB 3.330 . 3.330 2.444 2.197 2.650 . 0 0 "[ . 1 . 2]" 1
678 1 70 ARG H 1 70 ARG QG 3.890 . 3.890 2.564 2.094 4.004 0.114 10 0 "[ . 1 . 2]" 1
679 1 70 ARG QB 1 71 ARG H 3.840 . 3.840 2.910 2.429 3.688 . 0 0 "[ . 1 . 2]" 1
680 1 70 ARG QG 1 71 ARG H 4.580 . 4.580 3.933 2.224 4.479 . 0 0 "[ . 1 . 2]" 1
681 1 70 ARG HG2 1 71 ARG H 5.300 . 5.300 4.609 2.660 5.295 . 0 0 "[ . 1 . 2]" 1
682 1 70 ARG HG3 1 71 ARG H 5.300 . 5.300 4.415 2.309 5.318 0.018 13 0 "[ . 1 . 2]" 1
683 1 71 ARG H 1 71 ARG QB 3.560 . 3.560 2.348 2.185 2.665 . 0 0 "[ . 1 . 2]" 1
684 1 71 ARG H 1 71 ARG HG2 5.220 . 5.220 3.918 2.312 4.642 . 0 0 "[ . 1 . 2]" 1
685 1 71 ARG H 1 71 ARG HG3 5.220 . 5.220 3.995 2.250 4.634 . 0 0 "[ . 1 . 2]" 1
686 1 71 ARG HA 1 71 ARG QG 3.660 . 3.660 2.654 2.264 3.263 . 0 0 "[ . 1 . 2]" 1
687 1 71 ARG QB 1 71 ARG QD 3.490 . 3.490 2.432 2.179 2.977 . 0 0 "[ . 1 . 2]" 1
688 1 71 ARG QB 1 72 GLY H 4.400 . 4.400 2.724 2.094 3.333 . 0 0 "[ . 1 . 2]" 1
689 1 73 LYS H 1 73 LYS HB2 3.990 . 3.990 2.737 2.287 3.694 . 0 0 "[ . 1 . 2]" 1
690 1 73 LYS H 1 73 LYS QB 3.390 . 3.390 2.602 2.164 3.383 . 0 0 "[ . 1 . 2]" 1
691 1 73 LYS H 1 73 LYS HB3 3.990 . 3.990 3.565 2.501 4.056 0.066 17 0 "[ . 1 . 2]" 1
692 1 73 LYS H 1 73 LYS HG2 4.620 . 4.620 3.569 2.128 4.820 0.200 6 0 "[ . 1 . 2]" 1
693 1 73 LYS H 1 73 LYS QG 4.060 . 4.060 2.894 2.085 4.154 0.094 6 0 "[ . 1 . 2]" 1
694 1 73 LYS H 1 73 LYS HG3 4.620 . 4.620 3.398 2.133 4.553 . 0 0 "[ . 1 . 2]" 1
695 1 73 LYS H 1 74 ASN H 3.840 . 3.840 2.968 1.923 3.985 0.145 8 0 "[ . 1 . 2]" 1
696 1 73 LYS HA 1 74 ASN H 3.660 . 3.660 3.177 2.318 3.633 . 0 0 "[ . 1 . 2]" 1
697 1 73 LYS QB 1 74 ASN H 4.620 . 4.620 3.185 1.861 4.073 . 0 0 "[ . 1 . 2]" 1
698 1 74 ASN H 1 74 ASN HB2 4.360 . 4.360 2.999 2.464 3.993 . 0 0 "[ . 1 . 2]" 1
699 1 74 ASN H 1 74 ASN HB3 4.360 . 4.360 3.272 2.402 4.120 . 0 0 "[ . 1 . 2]" 1
700 1 74 ASN H 1 74 ASN QD 5.300 . 5.300 3.812 2.016 5.061 . 0 0 "[ . 1 . 2]" 1
701 1 74 ASN HA 1 75 LYS H 3.620 . 3.620 2.756 2.201 3.614 . 0 0 "[ . 1 . 2]" 1
702 1 74 ASN QB 1 75 LYS H 4.490 . 4.490 3.337 2.064 4.080 . 0 0 "[ . 1 . 2]" 1
703 1 74 ASN HB2 1 75 LYS H 5.250 . 5.250 3.944 2.114 4.658 . 0 0 "[ . 1 . 2]" 1
704 1 74 ASN HB3 1 75 LYS H 5.250 . 5.250 3.825 2.170 4.688 . 0 0 "[ . 1 . 2]" 1
705 1 75 LYS H 1 75 LYS HB2 3.990 . 3.990 2.924 2.270 4.031 0.041 8 0 "[ . 1 . 2]" 1
706 1 75 LYS H 1 75 LYS QB 3.370 . 3.370 2.598 2.245 3.003 . 0 0 "[ . 1 . 2]" 1
707 1 75 LYS H 1 75 LYS HB3 3.990 . 3.990 3.429 2.617 3.916 . 0 0 "[ . 1 . 2]" 1
708 1 75 LYS H 1 75 LYS HG2 4.670 . 4.670 3.308 1.964 4.866 0.196 10 0 "[ . 1 . 2]" 1
709 1 75 LYS H 1 75 LYS QG 4.070 . 4.070 2.659 1.938 4.239 0.169 10 0 "[ . 1 . 2]" 1
710 1 75 LYS H 1 75 LYS HG3 4.670 . 4.670 3.182 2.163 4.664 . 0 0 "[ . 1 . 2]" 1
711 1 75 LYS HA 1 76 VAL H 3.430 . 3.430 2.431 2.135 3.564 0.134 8 0 "[ . 1 . 2]" 1
712 1 75 LYS HA 1 76 VAL QG 4.600 . 4.600 3.723 3.027 4.570 . 0 0 "[ . 1 . 2]" 1
713 1 75 LYS QB 1 76 VAL H 4.340 . 4.340 3.427 2.308 4.050 . 0 0 "[ . 1 . 2]" 1
714 1 75 LYS QG 1 76 VAL H 5.580 . 5.580 4.027 1.776 5.077 . 0 0 "[ . 1 . 2]" 1
715 1 76 VAL H 1 76 VAL HB 3.750 . 3.750 3.011 2.475 3.758 0.008 12 0 "[ . 1 . 2]" 1
716 1 76 VAL H 1 76 VAL QG 3.700 . 3.700 2.131 1.904 2.761 . 0 0 "[ . 1 . 2]" 1
717 1 76 VAL H 1 77 ALA H 3.790 . 3.790 2.804 2.250 3.887 0.097 17 0 "[ . 1 . 2]" 1
718 1 76 VAL H 1 77 ALA MB 5.780 . 5.780 4.607 4.188 5.208 . 0 0 "[ . 1 . 2]" 1
719 1 76 VAL HA 1 77 ALA H 3.610 . 3.610 3.426 2.428 3.596 . 0 0 "[ . 1 . 2]" 1
720 1 76 VAL HB 1 77 ALA H 4.290 . 4.290 3.048 1.926 4.389 0.099 1 0 "[ . 1 . 2]" 1
721 1 76 VAL HB 1 77 ALA HA 5.220 . 5.220 4.683 4.120 5.239 0.019 1 0 "[ . 1 . 2]" 1
722 1 76 VAL QG 1 77 ALA H 4.430 . 4.430 3.114 2.336 3.822 . 0 0 "[ . 1 . 2]" 1
723 1 76 VAL QG 1 77 ALA HA 5.280 . 5.280 4.059 3.387 4.754 . 0 0 "[ . 1 . 2]" 1
724 1 77 ALA H 1 77 ALA MB 3.520 . 3.520 2.616 2.222 2.978 . 0 0 "[ . 1 . 2]" 1
725 1 77 ALA HA 1 78 ALA H 3.360 . 3.360 2.334 2.140 3.338 . 0 0 "[ . 1 . 2]" 1
726 1 77 ALA MB 1 78 ALA H 3.710 . 3.710 3.042 2.029 3.686 . 0 0 "[ . 1 . 2]" 1
727 1 78 ALA HA 1 79 GLN H 3.500 . 3.500 2.479 2.159 3.374 . 0 0 "[ . 1 . 2]" 1
728 1 78 ALA MB 1 79 GLN H 4.030 . 4.030 3.120 2.043 3.687 . 0 0 "[ . 1 . 2]" 1
729 1 79 GLN H 1 79 GLN QB 3.660 . 3.660 2.607 2.262 3.261 . 0 0 "[ . 1 . 2]" 1
730 1 79 GLN H 1 79 GLN QG 4.600 . 4.600 3.191 1.949 4.244 . 0 0 "[ . 1 . 2]" 1
731 1 79 GLN HA 1 80 ASN H 3.680 . 3.680 2.588 2.162 3.592 . 0 0 "[ . 1 . 2]" 1
732 1 79 GLN QB 1 80 ASN H 4.440 . 4.440 3.189 2.007 4.070 . 0 0 "[ . 1 . 2]" 1
733 1 79 GLN HB2 1 80 ASN H 5.290 . 5.290 3.709 2.018 4.646 . 0 0 "[ . 1 . 2]" 1
734 1 79 GLN HB3 1 80 ASN H 5.290 . 5.290 3.785 2.211 4.528 . 0 0 "[ . 1 . 2]" 1
735 1 80 ASN H 1 80 ASN QB 3.870 . 3.870 2.512 2.244 2.965 . 0 0 "[ . 1 . 2]" 1
736 1 80 ASN HB2 1 81 CYS H 5.780 . 5.780 4.158 2.519 4.682 . 0 0 "[ . 1 . 2]" 1
737 1 80 ASN HB3 1 81 CYS H 5.780 . 5.780 4.175 3.571 4.530 . 0 0 "[ . 1 . 2]" 1
738 1 81 CYS QB 1 82 ARG H 4.810 . 4.810 3.251 1.906 3.997 . 0 0 "[ . 1 . 2]" 1
739 1 82 ARG H 1 82 ARG QB 3.870 . 3.870 2.721 2.246 3.417 . 0 0 "[ . 1 . 2]" 1
740 1 82 ARG H 1 82 ARG QG 4.820 . 4.820 2.940 1.964 4.038 . 0 0 "[ . 1 . 2]" 1
741 1 82 ARG HA 1 83 LYS H 3.500 . 3.500 2.463 2.130 3.432 . 0 0 "[ . 1 . 2]" 1
742 1 83 LYS H 1 83 LYS QB 3.660 . 3.660 2.661 2.282 3.256 . 0 0 "[ . 1 . 2]" 1
743 1 83 LYS HA 1 84 ARG H 3.410 . 3.410 2.336 2.155 2.906 . 0 0 "[ . 1 . 2]" 1
744 1 83 LYS QB 1 84 ARG H 4.370 . 4.370 3.219 2.199 4.028 . 0 0 "[ . 1 . 2]" 1
745 1 84 ARG H 1 84 ARG QG 4.530 . 4.530 3.207 1.778 4.355 . 0 0 "[ . 1 . 2]" 1
746 1 84 ARG HA 1 85 LYS H 3.440 . 3.440 2.374 2.171 3.510 0.070 2 0 "[ . 1 . 2]" 1
747 1 84 ARG QG 1 85 LYS H 5.290 . 5.290 3.851 2.469 4.809 . 0 0 "[ . 1 . 2]" 1
748 1 85 LYS HA 1 85 LYS QG 3.990 . 3.990 2.673 2.410 3.545 . 0 0 "[ . 1 . 2]" 1
749 1 85 LYS HA 1 86 LEU H 3.400 . 3.400 2.338 2.130 3.387 . 0 0 "[ . 1 . 2]" 1
750 1 86 LEU H 1 86 LEU QB 3.800 . 3.800 2.574 2.220 3.382 . 0 0 "[ . 1 . 2]" 1
751 1 86 LEU HA 1 87 GLU H 3.500 . 3.500 2.396 2.176 3.497 . 0 0 "[ . 1 . 2]" 1
752 1 86 LEU QB 1 87 GLU H 5.200 . 5.200 3.328 2.029 4.076 . 0 0 "[ . 1 . 2]" 1
753 1 87 GLU H 1 87 GLU QG 4.600 . 4.600 3.111 1.893 4.376 . 0 0 "[ . 1 . 2]" 1
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