Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589883 | 2mqh RC | 25033 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqh
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 653
_Distance_constraint_stats_list.Viol_count 98
_Distance_constraint_stats_list.Viol_total 2.411
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0012
_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 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.001 0.001 1 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 19 0 "[ . 1 . 2]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.004 0.001 9 0 "[ . 1 . 2]"
1 22 VAL 0.070 0.005 18 0 "[ . 1 . 2]"
1 23 LYS 0.001 0.001 12 0 "[ . 1 . 2]"
1 24 TRP 0.001 0.001 12 0 "[ . 1 . 2]"
1 25 PHE 0.080 0.005 18 0 "[ . 1 . 2]"
1 26 ASN 0.000 0.000 5 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.001 0.001 17 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 0.002 0.001 17 0 "[ . 1 . 2]"
1 32 GLY 0.008 0.001 17 0 "[ . 1 . 2]"
1 33 PHE 0.003 0.001 7 0 "[ . 1 . 2]"
1 34 ILE 0.001 0.000 9 0 "[ . 1 . 2]"
1 35 THR 0.001 0.000 2 0 "[ . 1 . 2]"
1 36 PRO 0.000 0.000 12 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 42 ASP 0.001 0.001 14 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 12 0 "[ . 1 . 2]"
1 44 PHE 0.000 0.000 8 0 "[ . 1 . 2]"
1 45 VAL 0.001 0.000 14 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.016 0.008 12 0 "[ . 1 . 2]"
1 49 ASN 0.018 0.008 12 0 "[ . 1 . 2]"
1 50 ILE 0.002 0.001 13 0 "[ . 1 . 2]"
1 55 PHE 0.000 0.000 5 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 5 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ARG 0.006 0.006 20 0 "[ . 1 . 2]"
1 60 GLU 0.006 0.006 20 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 6 0 "[ . 1 . 2]"
1 62 GLU 0.003 0.001 14 0 "[ . 1 . 2]"
1 63 VAL 0.003 0.001 14 0 "[ . 1 . 2]"
1 64 VAL 0.002 0.001 9 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.001 0.000 7 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 17 0 "[ . 1 . 2]"
1 68 VAL 0.001 0.001 1 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 17 0 "[ . 1 . 2]"
1 79 VAL 0.001 0.001 13 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 14 0 "[ . 1 . 2]"
1 81 VAL 0.004 0.002 13 0 "[ . 1 . 2]"
1 82 THR 0.001 0.000 7 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 14 GLU H 1 15 GLN H . . 5.240 3.901 2.648 4.560 . 0 0 "[ . 1 . 2]" 1
2 1 14 GLU HA 1 14 GLU QG . . 3.910 2.658 2.156 3.061 . 0 0 "[ . 1 . 2]" 1
3 1 14 GLU HA 1 15 GLN H . . 3.300 2.374 2.143 2.875 . 0 0 "[ . 1 . 2]" 1
4 1 14 GLU QB 1 15 GLN H . . 4.140 3.629 2.062 4.008 . 0 0 "[ . 1 . 2]" 1
5 1 15 GLN H 1 15 GLN QB . . 3.600 2.524 2.170 3.064 . 0 0 "[ . 1 . 2]" 1
6 1 15 GLN H 1 15 GLN QE . . 4.550 3.999 2.039 4.546 . 0 0 "[ . 1 . 2]" 1
7 1 15 GLN H 1 15 GLN QG . . 4.190 3.124 1.968 4.143 . 0 0 "[ . 1 . 2]" 1
8 1 15 GLN H 1 16 LEU H . . 5.500 4.507 4.198 4.635 . 0 0 "[ . 1 . 2]" 1
9 1 15 GLN HA 1 15 GLN QG . . 3.990 2.905 2.173 3.461 . 0 0 "[ . 1 . 2]" 1
10 1 15 GLN HA 1 16 LEU H . . 2.900 2.256 2.139 2.433 . 0 0 "[ . 1 . 2]" 1
11 1 15 GLN QB 1 16 LEU H . . 3.960 3.161 2.333 3.926 . 0 0 "[ . 1 . 2]" 1
12 1 15 GLN HB2 1 16 LEU H . . 4.780 3.491 2.360 4.577 . 0 0 "[ . 1 . 2]" 1
13 1 15 GLN HB3 1 16 LEU H . . 4.780 3.945 3.648 4.273 . 0 0 "[ . 1 . 2]" 1
14 1 15 GLN QG 1 16 LEU H . . 4.590 3.294 2.149 4.214 . 0 0 "[ . 1 . 2]" 1
15 1 15 GLN QG 1 17 ARG H . . 4.330 3.765 2.978 4.311 . 0 0 "[ . 1 . 2]" 1
16 1 16 LEU H 1 16 LEU QB . . 2.950 2.538 2.325 2.797 . 0 0 "[ . 1 . 2]" 1
17 1 16 LEU H 1 16 LEU MD1 . . 5.150 4.134 2.987 4.585 . 0 0 "[ . 1 . 2]" 1
18 1 16 LEU H 1 16 LEU QD . . 4.100 3.135 2.484 4.026 . 0 0 "[ . 1 . 2]" 1
19 1 16 LEU H 1 16 LEU MD2 . . 5.150 3.507 2.506 4.890 . 0 0 "[ . 1 . 2]" 1
20 1 16 LEU H 1 17 ARG H . . 3.820 3.743 3.539 3.820 . 19 0 "[ . 1 . 2]" 1
21 1 16 LEU HA 1 16 LEU MD1 . . 4.430 2.518 1.965 3.820 . 0 0 "[ . 1 . 2]" 1
22 1 16 LEU HA 1 16 LEU QD . . 3.750 2.168 1.913 2.942 . 0 0 "[ . 1 . 2]" 1
23 1 16 LEU HA 1 16 LEU MD2 . . 4.430 2.775 2.004 3.854 . 0 0 "[ . 1 . 2]" 1
24 1 16 LEU HA 1 17 ARG H . . 2.830 2.250 2.159 2.406 . 0 0 "[ . 1 . 2]" 1
25 1 16 LEU HA 1 17 ARG QG . . 4.290 3.971 3.710 4.288 . 0 0 "[ . 1 . 2]" 1
26 1 16 LEU HA 1 68 VAL H . . 5.010 4.947 4.726 5.011 0.001 1 0 "[ . 1 . 2]" 1
27 1 16 LEU QB 1 18 GLN H . . 4.970 4.926 4.754 4.970 . 0 0 "[ . 1 . 2]" 1
28 1 16 LEU QB 1 68 VAL H . . 4.850 2.423 2.052 3.198 . 0 0 "[ . 1 . 2]" 1
29 1 16 LEU QB 1 68 VAL QG . . 4.610 2.203 1.902 2.622 . 0 0 "[ . 1 . 2]" 1
30 1 16 LEU QD 1 17 ARG H . . 4.250 3.623 3.200 4.248 . 0 0 "[ . 1 . 2]" 1
31 1 16 LEU QD 1 68 VAL QG . . 3.450 2.227 1.877 2.817 . 0 0 "[ . 1 . 2]" 1
32 1 16 LEU MD1 1 17 ARG H . . 5.300 4.136 3.240 5.290 . 0 0 "[ . 1 . 2]" 1
33 1 16 LEU MD2 1 17 ARG H . . 5.300 4.376 3.302 5.292 . 0 0 "[ . 1 . 2]" 1
34 1 16 LEU HG 1 68 VAL QG . . 5.160 2.949 2.007 4.058 . 0 0 "[ . 1 . 2]" 1
35 1 17 ARG H 1 17 ARG QB . . 2.910 2.638 2.346 2.910 . 0 0 "[ . 1 . 2]" 1
36 1 17 ARG H 1 17 ARG QD . . 4.260 3.975 3.375 4.259 . 0 0 "[ . 1 . 2]" 1
37 1 17 ARG H 1 18 GLN H . . 4.480 4.394 4.251 4.475 . 0 0 "[ . 1 . 2]" 1
38 1 17 ARG HA 1 17 ARG QD . . 4.370 3.373 2.081 4.258 . 0 0 "[ . 1 . 2]" 1
39 1 17 ARG HA 1 17 ARG QG . . 3.860 3.064 2.232 3.388 . 0 0 "[ . 1 . 2]" 1
40 1 17 ARG HA 1 18 GLN H . . 2.750 2.144 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
41 1 17 ARG HA 1 66 PHE H . . 4.760 4.567 4.180 4.747 . 0 0 "[ . 1 . 2]" 1
42 1 17 ARG QB 1 65 GLU QG . . 4.260 3.958 3.327 4.231 . 0 0 "[ . 1 . 2]" 1
43 1 17 ARG QD 1 18 GLN H . . 4.910 4.319 3.792 4.908 . 0 0 "[ . 1 . 2]" 1
44 1 18 GLN H 1 18 GLN HB2 . . 3.170 2.822 2.678 3.015 . 0 0 "[ . 1 . 2]" 1
45 1 18 GLN H 1 18 GLN HB3 . . 3.200 2.928 2.770 3.044 . 0 0 "[ . 1 . 2]" 1
46 1 18 GLN H 1 18 GLN QG . . 4.340 4.224 4.084 4.301 . 0 0 "[ . 1 . 2]" 1
47 1 18 GLN H 1 19 GLN H . . 4.710 4.463 4.385 4.512 . 0 0 "[ . 1 . 2]" 1
48 1 18 GLN H 1 65 GLU HA . . 4.820 4.503 4.206 4.720 . 0 0 "[ . 1 . 2]" 1
49 1 18 GLN H 1 65 GLU QG . . 4.130 3.565 3.103 4.076 . 0 0 "[ . 1 . 2]" 1
50 1 18 GLN H 1 66 PHE H . . 3.340 3.156 2.910 3.339 . 0 0 "[ . 1 . 2]" 1
51 1 18 GLN HA 1 18 GLN QG . . 4.000 2.514 2.172 2.739 . 0 0 "[ . 1 . 2]" 1
52 1 18 GLN HA 1 19 GLN H . . 2.820 2.341 2.216 2.487 . 0 0 "[ . 1 . 2]" 1
53 1 18 GLN HB3 1 66 PHE H . . 3.910 3.757 3.491 3.909 . 0 0 "[ . 1 . 2]" 1
54 1 18 GLN QG 1 19 GLN H . . 2.930 2.023 1.942 2.411 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLN QG 1 36 PRO QB . . 4.670 2.239 1.919 2.728 . 0 0 "[ . 1 . 2]" 1
56 1 19 GLN H 1 19 GLN QB . . 3.750 2.826 2.551 3.198 . 0 0 "[ . 1 . 2]" 1
57 1 19 GLN H 1 19 GLN QG . . 4.500 3.036 2.329 3.972 . 0 0 "[ . 1 . 2]" 1
58 1 19 GLN H 1 20 GLY H . . 4.460 4.330 4.227 4.409 . 0 0 "[ . 1 . 2]" 1
59 1 19 GLN H 1 20 GLY QA . . 5.010 4.451 4.366 4.532 . 0 0 "[ . 1 . 2]" 1
60 1 19 GLN H 1 66 PHE QE . . 4.640 4.365 3.793 4.622 . 0 0 "[ . 1 . 2]" 1
61 1 19 GLN HA 1 19 GLN HG2 . . 3.760 2.994 2.266 3.759 . 0 0 "[ . 1 . 2]" 1
62 1 19 GLN HA 1 19 GLN HG3 . . 3.760 3.229 2.177 3.756 . 0 0 "[ . 1 . 2]" 1
63 1 19 GLN HA 1 20 GLY H . . 2.870 2.215 2.165 2.325 . 0 0 "[ . 1 . 2]" 1
64 1 19 GLN HA 1 63 VAL QG . . 4.750 3.459 3.058 3.803 . 0 0 "[ . 1 . 2]" 1
65 1 19 GLN QB 1 20 GLY H . . 3.910 2.944 2.615 3.146 . 0 0 "[ . 1 . 2]" 1
66 1 19 GLN QG 1 20 GLY H . . 4.120 3.886 3.507 4.107 . 0 0 "[ . 1 . 2]" 1
67 1 20 GLY H 1 21 THR H . . 4.450 4.420 4.372 4.450 . 0 0 "[ . 1 . 2]" 1
68 1 20 GLY H 1 34 ILE HA . . 5.500 5.256 4.795 5.461 . 0 0 "[ . 1 . 2]" 1
69 1 20 GLY H 1 34 ILE MD . . 5.280 3.735 3.445 3.988 . 0 0 "[ . 1 . 2]" 1
70 1 20 GLY H 1 34 ILE MG . . 4.810 3.449 3.254 3.603 . 0 0 "[ . 1 . 2]" 1
71 1 20 GLY H 1 63 VAL HA . . 4.210 4.068 3.844 4.210 . 0 0 "[ . 1 . 2]" 1
72 1 20 GLY H 1 63 VAL QG . . 4.060 2.799 2.478 3.050 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLY H 1 64 VAL H . . 3.720 2.518 2.265 2.691 . 0 0 "[ . 1 . 2]" 1
74 1 20 GLY H 1 64 VAL HA . . 5.190 4.737 4.562 4.844 . 0 0 "[ . 1 . 2]" 1
75 1 20 GLY H 1 64 VAL MG2 . . 4.060 2.210 1.919 2.716 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLY H 1 66 PHE QE . . 3.840 3.533 3.221 3.788 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLY QA 1 21 THR H . . 2.800 2.217 2.172 2.267 . 0 0 "[ . 1 . 2]" 1
78 1 20 GLY QA 1 21 THR HA . . 4.550 3.956 3.942 3.971 . 0 0 "[ . 1 . 2]" 1
79 1 20 GLY HA2 1 21 THR H . . 3.300 2.318 2.233 2.441 . 0 0 "[ . 1 . 2]" 1
80 1 20 GLY HA2 1 34 ILE MG . . 4.220 2.324 2.157 2.703 . 0 0 "[ . 1 . 2]" 1
81 1 20 GLY HA3 1 21 THR H . . 3.300 2.845 2.689 2.968 . 0 0 "[ . 1 . 2]" 1
82 1 20 GLY HA3 1 34 ILE MG . . 4.220 2.163 1.979 2.372 . 0 0 "[ . 1 . 2]" 1
83 1 21 THR H 1 21 THR HB . . 3.730 3.544 3.508 3.605 . 0 0 "[ . 1 . 2]" 1
84 1 21 THR H 1 21 THR MG . . 3.890 3.229 3.099 3.388 . 0 0 "[ . 1 . 2]" 1
85 1 21 THR H 1 22 VAL H . . 4.730 4.540 4.466 4.583 . 0 0 "[ . 1 . 2]" 1
86 1 21 THR H 1 34 ILE HA . . 4.330 3.502 3.247 3.757 . 0 0 "[ . 1 . 2]" 1
87 1 21 THR H 1 34 ILE MG . . 4.250 3.908 3.744 4.188 . 0 0 "[ . 1 . 2]" 1
88 1 21 THR H 1 35 THR H . . 3.570 2.772 2.594 3.037 . 0 0 "[ . 1 . 2]" 1
89 1 21 THR H 1 35 THR HA . . 5.500 5.401 4.999 5.500 0.000 2 0 "[ . 1 . 2]" 1
90 1 21 THR H 1 35 THR MG . . 4.620 3.428 2.098 4.617 . 0 0 "[ . 1 . 2]" 1
91 1 21 THR H 1 63 VAL QG . . 4.950 4.500 3.923 4.855 . 0 0 "[ . 1 . 2]" 1
92 1 21 THR H 1 64 VAL MG2 . . 4.500 4.323 4.030 4.479 . 0 0 "[ . 1 . 2]" 1
93 1 21 THR HA 1 21 THR MG . . 3.470 2.179 2.073 2.212 . 0 0 "[ . 1 . 2]" 1
94 1 21 THR HA 1 22 VAL H . . 2.950 2.322 2.243 2.434 . 0 0 "[ . 1 . 2]" 1
95 1 21 THR HA 1 22 VAL MG2 . . 4.710 3.501 3.443 3.534 . 0 0 "[ . 1 . 2]" 1
96 1 21 THR HA 1 61 GLY HA2 . . 4.970 4.669 4.460 4.845 . 0 0 "[ . 1 . 2]" 1
97 1 21 THR HA 1 62 GLU H . . 5.030 4.910 4.794 5.018 . 0 0 "[ . 1 . 2]" 1
98 1 21 THR HA 1 63 VAL HA . . 3.590 2.529 2.191 2.689 . 0 0 "[ . 1 . 2]" 1
99 1 21 THR HA 1 63 VAL MG1 . . 5.270 4.596 3.830 5.270 0.000 4 0 "[ . 1 . 2]" 1
100 1 21 THR HA 1 63 VAL QG . . 4.550 3.527 3.070 3.952 . 0 0 "[ . 1 . 2]" 1
101 1 21 THR HA 1 63 VAL MG2 . . 5.270 3.684 3.218 4.084 . 0 0 "[ . 1 . 2]" 1
102 1 21 THR HA 1 64 VAL H . . 3.840 3.712 3.598 3.841 0.001 9 0 "[ . 1 . 2]" 1
103 1 21 THR HA 1 64 VAL MG2 . . 4.330 3.876 3.539 4.280 . 0 0 "[ . 1 . 2]" 1
104 1 21 THR HB 1 22 VAL H . . 3.760 2.696 2.355 2.928 . 0 0 "[ . 1 . 2]" 1
105 1 21 THR HB 1 22 VAL HA . . 4.730 4.555 4.469 4.701 . 0 0 "[ . 1 . 2]" 1
106 1 21 THR HB 1 61 GLY HA2 . . 3.310 3.174 2.872 3.310 . 0 0 "[ . 1 . 2]" 1
107 1 21 THR HB 1 63 VAL HA . . 5.070 4.918 4.610 5.070 . 0 0 "[ . 1 . 2]" 1
108 1 21 THR MG 1 22 VAL H . . 3.590 3.176 3.071 3.265 . 0 0 "[ . 1 . 2]" 1
109 1 21 THR MG 1 22 VAL MG2 . . 4.590 4.334 4.257 4.530 . 0 0 "[ . 1 . 2]" 1
110 1 21 THR MG 1 61 GLY H . . 4.280 3.942 3.824 4.128 . 0 0 "[ . 1 . 2]" 1
111 1 21 THR MG 1 61 GLY HA2 . . 4.310 2.733 2.509 2.862 . 0 0 "[ . 1 . 2]" 1
112 1 21 THR MG 1 61 GLY HA3 . . 4.060 3.971 3.798 4.060 . 19 0 "[ . 1 . 2]" 1
113 1 21 THR MG 1 62 GLU H . . 4.270 4.265 4.236 4.270 0.000 19 0 "[ . 1 . 2]" 1
114 1 21 THR MG 1 63 VAL HA . . 4.450 2.908 2.617 3.129 . 0 0 "[ . 1 . 2]" 1
115 1 21 THR MG 1 63 VAL HB . . 4.570 3.873 2.845 4.570 0.000 13 0 "[ . 1 . 2]" 1
116 1 21 THR MG 1 63 VAL QG . . 3.410 2.684 1.971 3.409 . 0 0 "[ . 1 . 2]" 1
117 1 22 VAL H 1 22 VAL HB . . 3.320 2.607 2.551 2.638 . 0 0 "[ . 1 . 2]" 1
118 1 22 VAL H 1 22 VAL MG1 . . 3.820 3.788 3.767 3.801 . 0 0 "[ . 1 . 2]" 1
119 1 22 VAL H 1 22 VAL MG2 . . 3.060 2.235 1.929 2.345 . 0 0 "[ . 1 . 2]" 1
120 1 22 VAL H 1 23 LYS H . . 4.740 2.379 2.299 2.552 . 0 0 "[ . 1 . 2]" 1
121 1 22 VAL H 1 23 LYS QB . . 4.860 4.281 4.109 4.435 . 0 0 "[ . 1 . 2]" 1
122 1 22 VAL H 1 61 GLY HA2 . . 4.250 3.830 3.590 4.010 . 0 0 "[ . 1 . 2]" 1
123 1 22 VAL H 1 62 GLU HA . . 4.960 4.841 4.701 4.905 . 0 0 "[ . 1 . 2]" 1
124 1 22 VAL H 1 62 GLU HB2 . . 5.090 4.901 4.663 5.089 . 0 0 "[ . 1 . 2]" 1
125 1 22 VAL H 1 62 GLU QB . . 4.440 3.830 3.528 4.134 . 0 0 "[ . 1 . 2]" 1
126 1 22 VAL H 1 62 GLU HB3 . . 5.090 4.005 3.608 4.375 . 0 0 "[ . 1 . 2]" 1
127 1 22 VAL H 1 63 VAL HA . . 4.260 4.198 3.824 4.260 . 0 0 "[ . 1 . 2]" 1
128 1 22 VAL HA 1 22 VAL MG1 . . 3.720 2.223 2.207 2.264 . 0 0 "[ . 1 . 2]" 1
129 1 22 VAL HA 1 23 LYS H . . 3.540 3.430 3.421 3.440 . 0 0 "[ . 1 . 2]" 1
130 1 22 VAL HA 1 24 TRP H . . 3.960 3.632 3.596 3.650 . 0 0 "[ . 1 . 2]" 1
131 1 22 VAL HB 1 23 LYS HA . . 4.390 4.185 4.169 4.232 . 0 0 "[ . 1 . 2]" 1
132 1 22 VAL HB 1 60 GLU HA . . 4.670 2.092 1.999 2.408 . 0 0 "[ . 1 . 2]" 1
133 1 22 VAL HB 1 61 GLY H . . 3.820 2.462 2.327 2.635 . 0 0 "[ . 1 . 2]" 1
134 1 22 VAL HB 1 62 GLU H . . 3.160 3.029 2.906 3.160 . 5 0 "[ . 1 . 2]" 1
135 1 22 VAL HB 1 62 GLU QB . . 4.040 3.540 3.292 3.836 . 0 0 "[ . 1 . 2]" 1
136 1 22 VAL MG1 1 23 LYS H . . 4.180 3.951 3.880 3.973 . 0 0 "[ . 1 . 2]" 1
137 1 22 VAL MG1 1 23 LYS HA . . 5.500 4.068 3.937 4.103 . 0 0 "[ . 1 . 2]" 1
138 1 22 VAL MG1 1 24 TRP H . . 5.070 4.566 4.532 4.600 . 0 0 "[ . 1 . 2]" 1
139 1 22 VAL MG1 1 25 PHE H . . 4.370 3.525 3.386 3.670 . 0 0 "[ . 1 . 2]" 1
140 1 22 VAL MG1 1 25 PHE HA . . 4.620 4.623 4.622 4.625 0.005 18 0 "[ . 1 . 2]" 1
141 1 22 VAL MG1 1 25 PHE HB2 . . 4.640 2.584 2.232 2.947 . 0 0 "[ . 1 . 2]" 1
142 1 22 VAL MG1 1 25 PHE QB . . 3.980 2.036 1.988 2.111 . 0 0 "[ . 1 . 2]" 1
143 1 22 VAL MG1 1 25 PHE HB3 . . 4.640 2.157 2.044 2.602 . 0 0 "[ . 1 . 2]" 1
144 1 22 VAL MG1 1 25 PHE QD . . 3.670 3.439 3.284 3.671 0.001 17 0 "[ . 1 . 2]" 1
145 1 22 VAL MG1 1 25 PHE QE . . 5.490 4.935 4.771 5.111 . 0 0 "[ . 1 . 2]" 1
146 1 22 VAL MG1 1 60 GLU H . . 4.710 4.150 3.687 4.361 . 0 0 "[ . 1 . 2]" 1
147 1 22 VAL MG1 1 60 GLU HA . . 3.750 2.667 2.417 3.015 . 0 0 "[ . 1 . 2]" 1
148 1 22 VAL MG1 1 60 GLU HB3 . . 5.010 3.833 3.573 4.295 . 0 0 "[ . 1 . 2]" 1
149 1 22 VAL MG1 1 61 GLY H . . 3.920 3.898 3.784 3.920 0.000 6 0 "[ . 1 . 2]" 1
150 1 22 VAL MG1 1 62 GLU H . . 4.590 4.430 4.335 4.571 . 0 0 "[ . 1 . 2]" 1
151 1 22 VAL MG2 1 62 GLU H . . 3.720 2.874 2.717 3.329 . 0 0 "[ . 1 . 2]" 1
152 1 22 VAL MG2 1 62 GLU HB2 . . 4.120 3.116 2.858 3.683 . 0 0 "[ . 1 . 2]" 1
153 1 22 VAL MG2 1 62 GLU HB3 . . 4.120 1.995 1.905 2.607 . 0 0 "[ . 1 . 2]" 1
154 1 23 LYS H 1 23 LYS QB . . 3.920 2.316 2.240 2.466 . 0 0 "[ . 1 . 2]" 1
155 1 23 LYS H 1 23 LYS QD . . 5.500 3.983 3.173 4.636 . 0 0 "[ . 1 . 2]" 1
156 1 23 LYS H 1 24 TRP H . . 3.090 2.753 2.702 2.763 . 0 0 "[ . 1 . 2]" 1
157 1 23 LYS HA 1 23 LYS QD . . 4.360 4.237 3.759 4.355 . 0 0 "[ . 1 . 2]" 1
158 1 23 LYS HA 1 23 LYS QG . . 3.450 3.063 2.531 3.405 . 0 0 "[ . 1 . 2]" 1
159 1 23 LYS QB 1 24 TRP H . . 3.790 3.304 2.832 3.594 . 0 0 "[ . 1 . 2]" 1
160 1 23 LYS QD 1 24 TRP H . . 4.900 4.344 3.196 4.845 . 0 0 "[ . 1 . 2]" 1
161 1 23 LYS QD 1 24 TRP HD1 . . 3.630 3.213 2.682 3.631 0.001 12 0 "[ . 1 . 2]" 1
162 1 23 LYS QD 1 24 TRP HE1 . . 4.840 3.373 2.537 4.426 . 0 0 "[ . 1 . 2]" 1
163 1 23 LYS QG 1 24 TRP H . . 3.730 2.726 2.114 3.714 . 0 0 "[ . 1 . 2]" 1
164 1 23 LYS QG 1 24 TRP HD1 . . 3.550 2.659 2.102 3.423 . 0 0 "[ . 1 . 2]" 1
165 1 24 TRP H 1 24 TRP HB2 . . 4.210 2.437 2.290 2.575 . 0 0 "[ . 1 . 2]" 1
166 1 24 TRP H 1 24 TRP QB . . 3.670 2.402 2.263 2.530 . 0 0 "[ . 1 . 2]" 1
167 1 24 TRP H 1 24 TRP HB3 . . 4.210 3.647 3.542 3.723 . 0 0 "[ . 1 . 2]" 1
168 1 24 TRP H 1 24 TRP HD1 . . 4.590 3.423 2.625 3.959 . 0 0 "[ . 1 . 2]" 1
169 1 24 TRP H 1 25 PHE H . . 4.550 2.730 2.600 2.772 . 0 0 "[ . 1 . 2]" 1
170 1 24 TRP H 1 25 PHE QD . . 5.210 5.177 5.139 5.210 . 5 0 "[ . 1 . 2]" 1
171 1 24 TRP HA 1 25 PHE H . . 3.030 2.895 2.887 2.980 . 0 0 "[ . 1 . 2]" 1
172 1 24 TRP HA 1 25 PHE HA . . 4.770 4.497 4.473 4.565 . 0 0 "[ . 1 . 2]" 1
173 1 24 TRP QB 1 25 PHE H . . 3.820 3.801 3.734 3.814 . 0 0 "[ . 1 . 2]" 1
174 1 24 TRP HB2 1 25 PHE H . . 4.490 4.164 4.092 4.190 . 0 0 "[ . 1 . 2]" 1
175 1 24 TRP HB3 1 25 PHE H . . 4.490 4.391 4.308 4.472 . 0 0 "[ . 1 . 2]" 1
176 1 25 PHE H 1 25 PHE HB2 . . 3.950 2.631 2.481 2.697 . 0 0 "[ . 1 . 2]" 1
177 1 25 PHE H 1 25 PHE HB3 . . 3.950 2.905 2.883 2.928 . 0 0 "[ . 1 . 2]" 1
178 1 25 PHE H 1 25 PHE QD . . 4.330 4.255 4.171 4.323 . 0 0 "[ . 1 . 2]" 1
179 1 25 PHE H 1 32 GLY HA2 . . 5.500 5.325 5.009 5.500 0.000 13 0 "[ . 1 . 2]" 1
180 1 25 PHE H 1 32 GLY HA3 . . 5.500 5.458 5.201 5.501 0.001 18 0 "[ . 1 . 2]" 1
181 1 25 PHE HA 1 25 PHE QD . . 4.020 2.715 2.408 3.048 . 0 0 "[ . 1 . 2]" 1
182 1 25 PHE HA 1 26 ASN H . . 3.240 2.220 2.175 2.231 . 0 0 "[ . 1 . 2]" 1
183 1 25 PHE HA 1 32 GLY HA2 . . 4.310 2.582 2.252 2.827 . 0 0 "[ . 1 . 2]" 1
184 1 25 PHE HA 1 32 GLY QA . . 3.710 2.270 2.124 2.367 . 0 0 "[ . 1 . 2]" 1
185 1 25 PHE HA 1 32 GLY HA3 . . 4.310 2.547 2.279 2.653 . 0 0 "[ . 1 . 2]" 1
186 1 25 PHE HA 1 33 PHE H . . 4.090 2.735 2.354 3.012 . 0 0 "[ . 1 . 2]" 1
187 1 25 PHE QB 1 26 ASN H . . 3.740 3.461 3.425 3.574 . 0 0 "[ . 1 . 2]" 1
188 1 25 PHE QD 1 26 ASN H . . 3.680 3.281 2.685 3.551 . 0 0 "[ . 1 . 2]" 1
189 1 25 PHE QD 1 27 ALA HA . . 4.120 3.807 3.267 4.109 . 0 0 "[ . 1 . 2]" 1
190 1 25 PHE QD 1 27 ALA MB . . 4.140 3.116 2.820 3.670 . 0 0 "[ . 1 . 2]" 1
191 1 25 PHE QD 1 32 GLY H . . 5.000 4.721 4.445 5.001 0.001 17 0 "[ . 1 . 2]" 1
192 1 25 PHE QD 1 33 PHE H . . 3.900 2.595 2.406 2.903 . 0 0 "[ . 1 . 2]" 1
193 1 25 PHE QE 1 33 PHE H . . 3.890 3.887 3.840 3.891 0.001 7 0 "[ . 1 . 2]" 1
194 1 26 ASN H 1 26 ASN HB2 . . 4.170 2.831 2.556 3.597 . 0 0 "[ . 1 . 2]" 1
195 1 26 ASN H 1 26 ASN QB . . 3.360 2.694 2.507 3.049 . 0 0 "[ . 1 . 2]" 1
196 1 26 ASN H 1 26 ASN HB3 . . 4.170 3.579 2.942 3.882 . 0 0 "[ . 1 . 2]" 1
197 1 26 ASN H 1 31 PHE H . . 4.390 4.250 4.013 4.390 0.000 5 0 "[ . 1 . 2]" 1
198 1 26 ASN H 1 32 GLY HA2 . . 4.340 2.303 1.954 2.766 . 0 0 "[ . 1 . 2]" 1
199 1 26 ASN H 1 32 GLY QA . . 3.740 2.175 1.928 2.449 . 0 0 "[ . 1 . 2]" 1
200 1 26 ASN H 1 32 GLY HA3 . . 4.340 2.733 2.517 3.150 . 0 0 "[ . 1 . 2]" 1
201 1 26 ASN QB 1 31 PHE H . . 4.110 3.101 2.632 3.666 . 0 0 "[ . 1 . 2]" 1
202 1 27 ALA MB 1 28 THR H . . 4.310 2.431 2.295 2.548 . 0 0 "[ . 1 . 2]" 1
203 1 27 ALA MB 1 29 LYS H . . 4.750 4.503 4.341 4.683 . 0 0 "[ . 1 . 2]" 1
204 1 27 ALA MB 1 30 GLY H . . 4.410 4.324 4.256 4.374 . 0 0 "[ . 1 . 2]" 1
205 1 28 THR H 1 28 THR HB . . 3.780 2.909 2.668 3.548 . 0 0 "[ . 1 . 2]" 1
206 1 28 THR H 1 29 LYS H . . 3.410 2.842 2.736 2.927 . 0 0 "[ . 1 . 2]" 1
207 1 28 THR HB 1 29 LYS H . . 3.180 2.592 2.328 3.176 . 0 0 "[ . 1 . 2]" 1
208 1 29 LYS H 1 29 LYS QB . . 3.330 2.381 2.146 2.502 . 0 0 "[ . 1 . 2]" 1
209 1 29 LYS H 1 29 LYS HG2 . . 3.630 2.793 2.158 3.624 . 0 0 "[ . 1 . 2]" 1
210 1 29 LYS H 1 29 LYS QG . . 3.180 2.436 2.141 2.989 . 0 0 "[ . 1 . 2]" 1
211 1 29 LYS H 1 29 LYS HG3 . . 3.630 3.154 2.397 3.625 . 0 0 "[ . 1 . 2]" 1
212 1 29 LYS H 1 30 GLY H . . 3.020 2.474 2.329 2.552 . 0 0 "[ . 1 . 2]" 1
213 1 29 LYS H 1 30 GLY HA3 . . 5.360 5.114 4.997 5.180 . 0 0 "[ . 1 . 2]" 1
214 1 29 LYS H 1 31 PHE H . . 4.060 3.987 3.870 4.058 . 0 0 "[ . 1 . 2]" 1
215 1 29 LYS HA 1 29 LYS QD . . 3.950 3.074 2.071 3.949 . 0 0 "[ . 1 . 2]" 1
216 1 29 LYS HA 1 29 LYS QG . . 3.690 2.543 2.094 2.983 . 0 0 "[ . 1 . 2]" 1
217 1 29 LYS HA 1 30 GLY HA3 . . 4.590 4.522 4.516 4.536 . 0 0 "[ . 1 . 2]" 1
218 1 29 LYS HA 1 31 PHE H . . 4.770 4.690 4.577 4.771 0.001 17 0 "[ . 1 . 2]" 1
219 1 29 LYS QB 1 29 LYS QD . . 2.950 2.151 2.006 2.316 . 0 0 "[ . 1 . 2]" 1
220 1 29 LYS QB 1 30 GLY H . . 3.670 2.898 2.859 2.955 . 0 0 "[ . 1 . 2]" 1
221 1 29 LYS QB 1 31 PHE H . . 3.700 2.758 2.655 2.852 . 0 0 "[ . 1 . 2]" 1
222 1 29 LYS QB 1 31 PHE QD . . 4.170 3.319 2.883 3.892 . 0 0 "[ . 1 . 2]" 1
223 1 29 LYS HB2 1 29 LYS QD . . 3.380 3.036 2.532 3.379 . 0 0 "[ . 1 . 2]" 1
224 1 29 LYS HB2 1 30 GLY H . . 4.490 3.000 2.933 3.141 . 0 0 "[ . 1 . 2]" 1
225 1 29 LYS HB2 1 31 PHE H . . 4.350 2.888 2.705 3.200 . 0 0 "[ . 1 . 2]" 1
226 1 29 LYS HB3 1 29 LYS QD . . 3.380 2.210 2.064 2.365 . 0 0 "[ . 1 . 2]" 1
227 1 29 LYS HB3 1 30 GLY H . . 4.490 3.874 3.583 4.014 . 0 0 "[ . 1 . 2]" 1
228 1 29 LYS HB3 1 31 PHE H . . 4.350 3.672 3.063 3.991 . 0 0 "[ . 1 . 2]" 1
229 1 29 LYS QG 1 30 GLY H . . 4.490 4.195 4.030 4.475 . 0 0 "[ . 1 . 2]" 1
230 1 29 LYS HG2 1 30 GLY H . . 5.290 4.638 4.239 5.042 . 0 0 "[ . 1 . 2]" 1
231 1 29 LYS HG3 1 30 GLY H . . 5.290 4.889 4.396 5.188 . 0 0 "[ . 1 . 2]" 1
232 1 30 GLY H 1 31 PHE H . . 2.950 2.361 2.348 2.442 . 0 0 "[ . 1 . 2]" 1
233 1 31 PHE H 1 31 PHE QD . . 3.930 3.508 3.218 3.908 . 0 0 "[ . 1 . 2]" 1
234 1 31 PHE HA 1 32 GLY H . . 3.360 2.181 2.143 2.636 . 0 0 "[ . 1 . 2]" 1
235 1 31 PHE QB 1 32 GLY H . . 3.460 3.277 1.950 3.460 0.000 6 0 "[ . 1 . 2]" 1
236 1 31 PHE QB 1 32 GLY QA . . 4.430 4.052 3.535 4.268 . 0 0 "[ . 1 . 2]" 1
237 1 31 PHE QD 1 32 GLY H . . 4.410 4.041 3.311 4.409 . 0 0 "[ . 1 . 2]" 1
238 1 32 GLY H 1 45 VAL H . . 4.260 3.960 3.423 4.237 . 0 0 "[ . 1 . 2]" 1
239 1 32 GLY H 1 45 VAL MG1 . . 3.510 2.682 2.126 3.107 . 0 0 "[ . 1 . 2]" 1
240 1 33 PHE H 1 33 PHE QB . . 3.530 2.819 2.753 2.852 . 0 0 "[ . 1 . 2]" 1
241 1 33 PHE H 1 45 VAL HB . . 5.500 5.443 5.124 5.500 . 0 0 "[ . 1 . 2]" 1
242 1 33 PHE H 1 45 VAL MG1 . . 3.940 3.029 2.811 3.352 . 0 0 "[ . 1 . 2]" 1
243 1 33 PHE HA 1 34 ILE H . . 3.280 2.321 2.220 2.451 . 0 0 "[ . 1 . 2]" 1
244 1 33 PHE HA 1 44 PHE HA . . 4.430 3.063 2.622 3.633 . 0 0 "[ . 1 . 2]" 1
245 1 33 PHE HA 1 45 VAL H . . 4.060 3.133 2.750 3.466 . 0 0 "[ . 1 . 2]" 1
246 1 33 PHE HA 1 45 VAL MG1 . . 4.330 2.472 2.113 2.962 . 0 0 "[ . 1 . 2]" 1
247 1 33 PHE QB 1 34 ILE H . . 3.660 2.608 2.300 2.915 . 0 0 "[ . 1 . 2]" 1
248 1 33 PHE QB 1 42 ASP QB . . 3.910 2.653 2.219 3.020 . 0 0 "[ . 1 . 2]" 1
249 1 33 PHE QB 1 43 LEU H . . 4.560 3.548 2.943 4.146 . 0 0 "[ . 1 . 2]" 1
250 1 33 PHE HB2 1 34 ILE H . . 4.390 3.811 3.497 4.143 . 0 0 "[ . 1 . 2]" 1
251 1 33 PHE HB2 1 42 ASP QB . . 4.520 3.870 3.287 4.449 . 0 0 "[ . 1 . 2]" 1
252 1 33 PHE HB3 1 34 ILE H . . 4.390 2.656 2.331 2.978 . 0 0 "[ . 1 . 2]" 1
253 1 33 PHE HB3 1 42 ASP QB . . 4.520 2.708 2.255 3.086 . 0 0 "[ . 1 . 2]" 1
254 1 34 ILE H 1 34 ILE HB . . 3.410 2.665 2.620 2.754 . 0 0 "[ . 1 . 2]" 1
255 1 34 ILE H 1 34 ILE MD . . 4.280 3.641 3.503 3.825 . 0 0 "[ . 1 . 2]" 1
256 1 34 ILE H 1 34 ILE QG . . 3.790 2.687 2.525 2.889 . 0 0 "[ . 1 . 2]" 1
257 1 34 ILE H 1 34 ILE MG . . 4.280 3.863 3.843 3.900 . 0 0 "[ . 1 . 2]" 1
258 1 34 ILE H 1 42 ASP HA . . 4.690 4.293 3.768 4.549 . 0 0 "[ . 1 . 2]" 1
259 1 34 ILE H 1 42 ASP QB . . 4.560 3.999 3.310 4.412 . 0 0 "[ . 1 . 2]" 1
260 1 34 ILE H 1 43 LEU H . . 4.730 2.665 2.280 2.867 . 0 0 "[ . 1 . 2]" 1
261 1 34 ILE H 1 43 LEU HA . . 4.910 4.640 4.443 4.858 . 0 0 "[ . 1 . 2]" 1
262 1 34 ILE H 1 43 LEU MD1 . . 5.410 4.013 2.581 4.967 . 0 0 "[ . 1 . 2]" 1
263 1 34 ILE H 1 43 LEU QD . . 4.610 3.738 2.563 4.589 . 0 0 "[ . 1 . 2]" 1
264 1 34 ILE H 1 43 LEU MD2 . . 5.410 4.822 3.513 5.410 . 0 0 "[ . 1 . 2]" 1
265 1 34 ILE H 1 45 VAL H . . 4.860 4.759 4.472 4.860 . 0 0 "[ . 1 . 2]" 1
266 1 34 ILE H 1 45 VAL HB . . 4.450 4.211 3.835 4.448 . 0 0 "[ . 1 . 2]" 1
267 1 34 ILE H 1 45 VAL MG1 . . 4.900 3.640 3.205 4.007 . 0 0 "[ . 1 . 2]" 1
268 1 34 ILE HA 1 34 ILE MD . . 4.230 2.016 1.972 2.117 . 0 0 "[ . 1 . 2]" 1
269 1 34 ILE HA 1 35 THR H . . 3.520 2.168 2.139 2.239 . 0 0 "[ . 1 . 2]" 1
270 1 34 ILE HB 1 34 ILE MD . . 3.730 3.224 3.216 3.231 . 0 0 "[ . 1 . 2]" 1
271 1 34 ILE HB 1 43 LEU H . . 4.470 3.514 3.248 3.877 . 0 0 "[ . 1 . 2]" 1
272 1 34 ILE HB 1 43 LEU HB2 . . 4.870 3.426 2.066 4.865 . 0 0 "[ . 1 . 2]" 1
273 1 34 ILE HB 1 43 LEU QB . . 4.260 3.163 2.017 4.259 . 0 0 "[ . 1 . 2]" 1
274 1 34 ILE HB 1 43 LEU HB3 . . 4.870 4.050 2.815 4.740 . 0 0 "[ . 1 . 2]" 1
275 1 34 ILE MD 1 34 ILE MG . . 2.440 2.017 1.918 2.144 . 0 0 "[ . 1 . 2]" 1
276 1 34 ILE MD 1 35 THR H . . 3.820 3.583 3.394 3.764 . 0 0 "[ . 1 . 2]" 1
277 1 34 ILE MD 1 45 VAL HB . . 4.760 3.433 3.050 3.935 . 0 0 "[ . 1 . 2]" 1
278 1 34 ILE MD 1 45 VAL MG1 . . 4.180 2.405 2.055 2.811 . 0 0 "[ . 1 . 2]" 1
279 1 34 ILE MD 1 45 VAL MG2 . . 3.880 3.050 2.744 3.578 . 0 0 "[ . 1 . 2]" 1
280 1 34 ILE MD 1 81 VAL MG1 . . 3.330 3.108 2.957 3.262 . 0 0 "[ . 1 . 2]" 1
281 1 34 ILE QG 1 35 THR H . . 5.280 4.630 4.501 4.733 . 0 0 "[ . 1 . 2]" 1
282 1 34 ILE QG 1 43 LEU QD . . 4.420 3.361 2.012 4.419 . 0 0 "[ . 1 . 2]" 1
283 1 34 ILE QG 1 45 VAL MG1 . . 4.370 2.348 2.026 2.561 . 0 0 "[ . 1 . 2]" 1
284 1 34 ILE QG 1 78 ALA MB . . 4.250 3.910 3.536 4.192 . 0 0 "[ . 1 . 2]" 1
285 1 34 ILE QG 1 81 VAL MG1 . . 4.750 4.539 4.466 4.632 . 0 0 "[ . 1 . 2]" 1
286 1 34 ILE HG12 1 81 VAL MG1 . . 5.500 5.490 5.454 5.500 0.000 9 0 "[ . 1 . 2]" 1
287 1 34 ILE HG13 1 81 VAL MG1 . . 5.500 4.842 4.725 4.988 . 0 0 "[ . 1 . 2]" 1
288 1 34 ILE MG 1 35 THR H . . 3.590 2.264 1.938 2.542 . 0 0 "[ . 1 . 2]" 1
289 1 34 ILE MG 1 43 LEU H . . 4.800 4.466 4.213 4.796 . 0 0 "[ . 1 . 2]" 1
290 1 34 ILE MG 1 43 LEU QD . . 4.850 2.991 2.331 3.709 . 0 0 "[ . 1 . 2]" 1
291 1 34 ILE MG 1 45 VAL MG1 . . 4.750 4.603 4.387 4.748 . 0 0 "[ . 1 . 2]" 1
292 1 34 ILE MG 1 64 VAL MG2 . . 4.120 3.745 3.437 4.061 . 0 0 "[ . 1 . 2]" 1
293 1 35 THR H 1 35 THR HB . . 3.650 3.332 2.703 3.648 . 0 0 "[ . 1 . 2]" 1
294 1 35 THR H 1 35 THR MG . . 4.100 2.760 1.962 3.891 . 0 0 "[ . 1 . 2]" 1
295 1 35 THR HA 1 36 PRO HA . . 4.840 4.641 4.641 4.642 . 0 0 "[ . 1 . 2]" 1
296 1 35 THR HA 1 36 PRO HD3 . . 3.630 2.887 2.886 2.888 . 0 0 "[ . 1 . 2]" 1
297 1 35 THR HA 1 43 LEU H . . 4.370 3.975 3.627 4.370 . 0 0 "[ . 1 . 2]" 1
298 1 36 PRO HA 1 37 GLY H . . 2.840 2.177 2.155 2.280 . 0 0 "[ . 1 . 2]" 1
299 1 36 PRO QB 1 37 GLY H . . 3.700 3.272 2.843 3.580 . 0 0 "[ . 1 . 2]" 1
300 1 36 PRO HD2 1 42 ASP H . . 5.500 5.394 5.111 5.500 . 0 0 "[ . 1 . 2]" 1
301 1 36 PRO HD2 1 42 ASP HA . . 4.770 3.277 2.516 3.811 . 0 0 "[ . 1 . 2]" 1
302 1 36 PRO HD2 1 43 LEU H . . 4.440 3.767 3.143 4.111 . 0 0 "[ . 1 . 2]" 1
303 1 36 PRO HD2 1 43 LEU QD . . 4.140 3.303 2.241 3.795 . 0 0 "[ . 1 . 2]" 1
304 1 36 PRO HD3 1 42 ASP HA . . 4.620 4.337 3.682 4.612 . 0 0 "[ . 1 . 2]" 1
305 1 36 PRO HD3 1 43 LEU H . . 4.250 4.003 3.345 4.250 0.000 12 0 "[ . 1 . 2]" 1
306 1 36 PRO QG 1 37 GLY H . . 4.890 4.632 4.389 4.748 . 0 0 "[ . 1 . 2]" 1
307 1 36 PRO QG 1 43 LEU QD . . 4.890 2.212 1.904 2.674 . 0 0 "[ . 1 . 2]" 1
308 1 39 GLY H 1 40 GLY H . . 4.460 2.832 1.901 4.422 . 0 0 "[ . 1 . 2]" 1
309 1 39 GLY QA 1 40 GLY H . . 3.130 2.455 2.143 2.846 . 0 0 "[ . 1 . 2]" 1
310 1 39 GLY QA 1 40 GLY QA . . 4.420 3.648 3.560 3.807 . 0 0 "[ . 1 . 2]" 1
311 1 40 GLY QA 1 41 GLU H . . 2.770 2.409 2.110 2.769 . 0 0 "[ . 1 . 2]" 1
312 1 41 GLU H 1 41 GLU QB . . 3.000 2.601 2.354 3.001 0.001 14 0 "[ . 1 . 2]" 1
313 1 41 GLU H 1 41 GLU QG . . 3.260 2.503 1.930 3.239 . 0 0 "[ . 1 . 2]" 1
314 1 41 GLU HA 1 42 ASP H . . 2.710 2.159 2.138 2.252 . 0 0 "[ . 1 . 2]" 1
315 1 41 GLU QB 1 42 ASP H . . 3.350 3.173 2.790 3.351 0.001 14 0 "[ . 1 . 2]" 1
316 1 42 ASP H 1 42 ASP QB . . 2.880 2.618 2.284 2.849 . 0 0 "[ . 1 . 2]" 1
317 1 42 ASP H 1 43 LEU H . . 4.760 4.525 4.433 4.617 . 0 0 "[ . 1 . 2]" 1
318 1 42 ASP HA 1 43 LEU H . . 3.260 2.210 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
319 1 42 ASP QB 1 43 LEU H . . 3.470 2.961 2.734 3.285 . 0 0 "[ . 1 . 2]" 1
320 1 43 LEU H 1 43 LEU HB2 . . 3.810 3.015 2.272 3.809 . 0 0 "[ . 1 . 2]" 1
321 1 43 LEU H 1 43 LEU QB . . 3.160 2.634 2.247 2.974 . 0 0 "[ . 1 . 2]" 1
322 1 43 LEU H 1 43 LEU HB3 . . 3.810 3.368 2.988 3.755 . 0 0 "[ . 1 . 2]" 1
323 1 43 LEU H 1 43 LEU QD . . 3.940 3.206 2.086 3.742 . 0 0 "[ . 1 . 2]" 1
324 1 43 LEU H 1 43 LEU HG . . 4.040 2.841 1.958 3.907 . 0 0 "[ . 1 . 2]" 1
325 1 43 LEU HA 1 44 PHE H . . 2.980 2.351 2.248 2.453 . 0 0 "[ . 1 . 2]" 1
326 1 43 LEU QB 1 44 PHE H . . 3.790 2.536 2.291 2.839 . 0 0 "[ . 1 . 2]" 1
327 1 43 LEU HB2 1 44 PHE H . . 4.360 3.276 2.317 4.133 . 0 0 "[ . 1 . 2]" 1
328 1 43 LEU HB3 1 44 PHE H . . 4.360 3.153 2.318 4.036 . 0 0 "[ . 1 . 2]" 1
329 1 43 LEU QD 1 44 PHE H . . 4.580 2.995 2.465 3.906 . 0 0 "[ . 1 . 2]" 1
330 1 43 LEU MD1 1 44 PHE H . . 5.450 3.948 2.859 4.715 . 0 0 "[ . 1 . 2]" 1
331 1 43 LEU MD2 1 44 PHE H . . 5.450 3.714 2.475 4.931 . 0 0 "[ . 1 . 2]" 1
332 1 43 LEU HG 1 44 PHE H . . 4.800 4.491 3.845 4.799 . 0 0 "[ . 1 . 2]" 1
333 1 44 PHE H 1 44 PHE HB2 . . 3.720 3.143 2.289 3.659 . 0 0 "[ . 1 . 2]" 1
334 1 44 PHE H 1 44 PHE QB . . 3.110 2.510 2.263 2.721 . 0 0 "[ . 1 . 2]" 1
335 1 44 PHE H 1 44 PHE HB3 . . 3.720 3.049 2.592 3.643 . 0 0 "[ . 1 . 2]" 1
336 1 44 PHE H 1 44 PHE QD . . 4.670 2.339 1.996 3.251 . 0 0 "[ . 1 . 2]" 1
337 1 44 PHE H 1 44 PHE QE . . 4.670 4.228 3.950 4.649 . 0 0 "[ . 1 . 2]" 1
338 1 44 PHE HA 1 45 VAL H . . 3.020 2.194 2.144 2.233 . 0 0 "[ . 1 . 2]" 1
339 1 44 PHE QB 1 45 VAL H . . 3.730 3.003 2.842 3.252 . 0 0 "[ . 1 . 2]" 1
340 1 44 PHE HB2 1 45 VAL H . . 4.260 3.493 2.906 4.258 . 0 0 "[ . 1 . 2]" 1
341 1 44 PHE HB3 1 45 VAL H . . 4.260 3.742 3.005 4.236 . 0 0 "[ . 1 . 2]" 1
342 1 44 PHE QD 1 45 VAL H . . 4.120 3.894 3.618 4.120 0.000 8 0 "[ . 1 . 2]" 1
343 1 45 VAL H 1 45 VAL HB . . 3.910 3.221 3.107 3.319 . 0 0 "[ . 1 . 2]" 1
344 1 45 VAL H 1 45 VAL MG1 . . 3.580 2.181 1.981 2.429 . 0 0 "[ . 1 . 2]" 1
345 1 45 VAL H 1 45 VAL MG2 . . 4.470 3.940 3.866 3.991 . 0 0 "[ . 1 . 2]" 1
346 1 45 VAL H 1 46 HIS H . . 4.670 4.325 4.249 4.419 . 0 0 "[ . 1 . 2]" 1
347 1 45 VAL HA 1 46 HIS H . . 3.440 2.190 2.147 2.245 . 0 0 "[ . 1 . 2]" 1
348 1 45 VAL HB 1 46 HIS H . . 4.660 4.129 4.001 4.200 . 0 0 "[ . 1 . 2]" 1
349 1 45 VAL HB 1 78 ALA MB . . 4.420 4.029 3.525 4.420 0.000 14 0 "[ . 1 . 2]" 1
350 1 45 VAL MG2 1 46 HIS H . . 3.860 2.330 1.950 2.570 . 0 0 "[ . 1 . 2]" 1
351 1 46 HIS H 1 46 HIS QB . . 3.720 2.689 2.317 3.099 . 0 0 "[ . 1 . 2]" 1
352 1 46 HIS HA 1 47 GLN H . . 3.480 2.197 2.141 2.293 . 0 0 "[ . 1 . 2]" 1
353 1 46 HIS QB 1 47 GLN H . . 4.050 3.354 2.680 3.867 . 0 0 "[ . 1 . 2]" 1
354 1 48 THR HA 1 50 ILE H . . 4.890 4.421 4.212 4.701 . 0 0 "[ . 1 . 2]" 1
355 1 48 THR HB 1 49 ASN H . . 4.010 2.829 2.390 4.018 0.008 12 0 "[ . 1 . 2]" 1
356 1 48 THR MG 1 49 ASN H . . 4.950 3.513 2.007 4.080 . 0 0 "[ . 1 . 2]" 1
357 1 49 ASN H 1 49 ASN HB2 . . 4.060 2.645 2.535 2.865 . 0 0 "[ . 1 . 2]" 1
358 1 49 ASN H 1 49 ASN QB . . 3.200 2.569 2.491 2.669 . 0 0 "[ . 1 . 2]" 1
359 1 49 ASN H 1 49 ASN HB3 . . 4.060 3.629 2.915 3.826 . 0 0 "[ . 1 . 2]" 1
360 1 49 ASN H 1 50 ILE H . . 3.360 2.327 1.934 2.503 . 0 0 "[ . 1 . 2]" 1
361 1 49 ASN H 1 50 ILE HB . . 4.880 4.317 4.211 4.427 . 0 0 "[ . 1 . 2]" 1
362 1 49 ASN H 1 50 ILE QG . . 4.740 3.568 2.823 3.855 . 0 0 "[ . 1 . 2]" 1
363 1 49 ASN H 1 50 ILE MG . . 5.500 5.235 5.153 5.354 . 0 0 "[ . 1 . 2]" 1
364 1 49 ASN H 1 81 VAL MG2 . . 5.500 5.126 4.928 5.502 0.002 13 0 "[ . 1 . 2]" 1
365 1 49 ASN HA 1 49 ASN HD21 . . 4.230 3.172 2.066 3.674 . 0 0 "[ . 1 . 2]" 1
366 1 49 ASN HA 1 49 ASN HD22 . . 4.230 3.926 3.532 4.130 . 0 0 "[ . 1 . 2]" 1
367 1 49 ASN HA 1 50 ILE QG . . 5.390 5.049 4.624 5.193 . 0 0 "[ . 1 . 2]" 1
368 1 49 ASN HA 1 80 ASN H . . 5.190 5.005 4.663 5.156 . 0 0 "[ . 1 . 2]" 1
369 1 49 ASN QB 1 50 ILE QG . . 4.800 4.000 3.523 4.222 . 0 0 "[ . 1 . 2]" 1
370 1 49 ASN QB 1 79 VAL MG1 . . 4.340 2.776 2.365 3.219 . 0 0 "[ . 1 . 2]" 1
371 1 49 ASN QB 1 80 ASN H . . 3.550 2.557 2.068 2.878 . 0 0 "[ . 1 . 2]" 1
372 1 49 ASN QB 1 80 ASN HA . . 4.020 3.732 2.924 4.017 . 0 0 "[ . 1 . 2]" 1
373 1 49 ASN QB 1 81 VAL H . . 5.200 4.829 4.304 5.119 . 0 0 "[ . 1 . 2]" 1
374 1 49 ASN HB2 1 80 ASN H . . 4.340 2.837 2.321 3.441 . 0 0 "[ . 1 . 2]" 1
375 1 49 ASN HB2 1 80 ASN HA . . 4.720 4.420 3.836 4.720 . 14 0 "[ . 1 . 2]" 1
376 1 49 ASN HB3 1 80 ASN H . . 4.340 3.358 2.085 3.982 . 0 0 "[ . 1 . 2]" 1
377 1 49 ASN HB3 1 80 ASN HA . . 4.720 4.157 2.953 4.669 . 0 0 "[ . 1 . 2]" 1
378 1 49 ASN QD 1 79 VAL MG1 . . 4.530 3.478 1.917 4.457 . 0 0 "[ . 1 . 2]" 1
379 1 50 ILE H 1 50 ILE HB . . 3.380 2.566 2.530 2.703 . 0 0 "[ . 1 . 2]" 1
380 1 50 ILE H 1 50 ILE MD . . 3.830 2.244 1.945 3.587 . 0 0 "[ . 1 . 2]" 1
381 1 50 ILE H 1 50 ILE QG . . 3.890 3.046 1.985 3.253 . 0 0 "[ . 1 . 2]" 1
382 1 50 ILE H 1 50 ILE MG . . 4.000 3.815 3.764 3.875 . 0 0 "[ . 1 . 2]" 1
383 1 50 ILE HA 1 50 ILE MD . . 4.700 3.468 3.355 3.884 . 0 0 "[ . 1 . 2]" 1
384 1 50 ILE HA 1 80 ASN H . . 4.760 4.099 3.829 4.706 . 0 0 "[ . 1 . 2]" 1
385 1 50 ILE HA 1 80 ASN HA . . 3.990 3.858 3.607 3.989 . 0 0 "[ . 1 . 2]" 1
386 1 50 ILE HA 1 81 VAL H . . 3.810 3.658 3.414 3.810 0.000 17 0 "[ . 1 . 2]" 1
387 1 50 ILE HA 1 81 VAL HB . . 4.740 4.668 4.402 4.740 0.000 12 0 "[ . 1 . 2]" 1
388 1 50 ILE HB 1 50 ILE MD . . 3.750 2.169 2.122 2.233 . 0 0 "[ . 1 . 2]" 1
389 1 50 ILE MD 1 50 ILE MG . . 3.670 3.008 2.152 3.157 . 0 0 "[ . 1 . 2]" 1
390 1 50 ILE MD 1 79 VAL MG2 . . 5.130 4.744 4.123 5.131 0.001 13 0 "[ . 1 . 2]" 1
391 1 50 ILE MD 1 81 VAL HB . . 4.440 3.433 2.137 3.931 . 0 0 "[ . 1 . 2]" 1
392 1 50 ILE QG 1 79 VAL HB . . 4.860 4.517 3.778 4.846 . 0 0 "[ . 1 . 2]" 1
393 1 50 ILE QG 1 79 VAL MG1 . . 4.710 4.398 3.494 4.709 . 0 0 "[ . 1 . 2]" 1
394 1 50 ILE QG 1 81 VAL HA . . 4.250 4.163 4.074 4.250 . 17 0 "[ . 1 . 2]" 1
395 1 50 ILE QG 1 81 VAL MG1 . . 4.360 3.603 3.429 3.978 . 0 0 "[ . 1 . 2]" 1
396 1 50 ILE QG 1 81 VAL MG2 . . 3.990 2.163 1.948 2.372 . 0 0 "[ . 1 . 2]" 1
397 1 50 ILE MG 1 56 ARG QD . . 4.600 4.461 4.124 4.597 . 0 0 "[ . 1 . 2]" 1
398 1 55 PHE HA 1 56 ARG H . . 3.430 2.353 2.139 2.599 . 0 0 "[ . 1 . 2]" 1
399 1 55 PHE HA 1 56 ARG HA . . 4.520 4.428 4.374 4.508 . 0 0 "[ . 1 . 2]" 1
400 1 55 PHE HA 1 56 ARG HD2 . . 5.500 4.932 3.039 5.343 . 0 0 "[ . 1 . 2]" 1
401 1 55 PHE HA 1 56 ARG QD . . 4.770 4.256 2.640 4.770 0.000 5 0 "[ . 1 . 2]" 1
402 1 55 PHE HA 1 56 ARG HD3 . . 5.500 4.810 2.678 5.492 . 0 0 "[ . 1 . 2]" 1
403 1 56 ARG HA 1 56 ARG QG . . 3.540 2.933 2.429 3.441 . 0 0 "[ . 1 . 2]" 1
404 1 58 LEU HA 1 58 LEU MD1 . . 4.520 3.394 2.024 4.078 . 0 0 "[ . 1 . 2]" 1
405 1 58 LEU HA 1 58 LEU QD . . 3.450 2.533 1.933 3.398 . 0 0 "[ . 1 . 2]" 1
406 1 58 LEU HA 1 58 LEU MD2 . . 4.520 2.883 2.037 4.096 . 0 0 "[ . 1 . 2]" 1
407 1 58 LEU HA 1 59 ARG H . . 3.140 2.267 2.145 2.367 . 0 0 "[ . 1 . 2]" 1
408 1 58 LEU QB 1 59 ARG H . . 3.660 2.768 2.558 3.212 . 0 0 "[ . 1 . 2]" 1
409 1 58 LEU HB2 1 59 ARG H . . 4.430 3.639 2.591 4.292 . 0 0 "[ . 1 . 2]" 1
410 1 58 LEU HB3 1 59 ARG H . . 4.430 3.138 2.595 3.946 . 0 0 "[ . 1 . 2]" 1
411 1 58 LEU QD 1 59 ARG H . . 3.990 3.397 2.492 3.969 . 0 0 "[ . 1 . 2]" 1
412 1 59 ARG H 1 59 ARG HB2 . . 4.140 2.645 2.249 3.769 . 0 0 "[ . 1 . 2]" 1
413 1 59 ARG H 1 59 ARG QB . . 3.340 2.474 2.224 2.801 . 0 0 "[ . 1 . 2]" 1
414 1 59 ARG H 1 59 ARG HB3 . . 4.140 3.385 2.837 3.827 . 0 0 "[ . 1 . 2]" 1
415 1 59 ARG H 1 59 ARG QG . . 4.260 3.436 2.245 4.176 . 0 0 "[ . 1 . 2]" 1
416 1 59 ARG HA 1 59 ARG QG . . 3.970 2.340 2.114 3.334 . 0 0 "[ . 1 . 2]" 1
417 1 59 ARG HA 1 60 GLU H . . 2.660 2.423 2.330 2.511 . 0 0 "[ . 1 . 2]" 1
418 1 59 ARG HA 1 60 GLU HB3 . . 5.220 4.615 4.492 4.720 . 0 0 "[ . 1 . 2]" 1
419 1 59 ARG QB 1 59 ARG QG . . 2.420 2.069 1.996 2.087 . 0 0 "[ . 1 . 2]" 1
420 1 59 ARG QB 1 60 GLU H . . 3.430 2.574 2.231 2.961 . 0 0 "[ . 1 . 2]" 1
421 1 59 ARG QB 1 60 GLU HB3 . . 5.070 4.848 4.602 5.070 0.000 18 0 "[ . 1 . 2]" 1
422 1 59 ARG QB 1 60 GLU QG . . 4.760 3.572 3.062 4.631 . 0 0 "[ . 1 . 2]" 1
423 1 59 ARG HB2 1 60 GLU H . . 3.940 3.720 2.568 3.946 0.006 20 0 "[ . 1 . 2]" 1
424 1 59 ARG HB3 1 60 GLU H . . 3.940 2.755 2.252 3.918 . 0 0 "[ . 1 . 2]" 1
425 1 59 ARG HD2 1 60 GLU H . . 5.500 4.984 4.163 5.497 . 0 0 "[ . 1 . 2]" 1
426 1 59 ARG HD3 1 60 GLU H . . 5.500 4.603 3.917 5.500 . 0 0 "[ . 1 . 2]" 1
427 1 59 ARG QG 1 60 GLU H . . 3.610 3.085 1.924 3.600 . 0 0 "[ . 1 . 2]" 1
428 1 60 GLU H 1 60 GLU HB2 . . 3.600 3.589 3.569 3.597 . 0 0 "[ . 1 . 2]" 1
429 1 60 GLU H 1 60 GLU HB3 . . 3.030 2.527 2.360 2.688 . 0 0 "[ . 1 . 2]" 1
430 1 60 GLU H 1 60 GLU HG2 . . 4.240 2.467 1.961 3.607 . 0 0 "[ . 1 . 2]" 1
431 1 60 GLU H 1 60 GLU QG . . 3.530 2.400 1.950 3.291 . 0 0 "[ . 1 . 2]" 1
432 1 60 GLU H 1 60 GLU HG3 . . 4.240 3.579 2.638 3.813 . 0 0 "[ . 1 . 2]" 1
433 1 60 GLU H 1 61 GLY H . . 4.990 4.591 4.437 4.635 . 0 0 "[ . 1 . 2]" 1
434 1 60 GLU HA 1 61 GLY H . . 2.750 2.200 2.147 2.264 . 0 0 "[ . 1 . 2]" 1
435 1 60 GLU HB2 1 61 GLY H . . 4.190 3.084 2.812 3.595 . 0 0 "[ . 1 . 2]" 1
436 1 60 GLU HB3 1 61 GLY H . . 4.430 4.130 3.987 4.322 . 0 0 "[ . 1 . 2]" 1
437 1 60 GLU QG 1 61 GLY H . . 4.640 3.958 3.643 4.325 . 0 0 "[ . 1 . 2]" 1
438 1 60 GLU QG 1 61 GLY HA3 . . 5.340 3.902 3.554 4.196 . 0 0 "[ . 1 . 2]" 1
439 1 61 GLY H 1 62 GLU H . . 3.380 2.567 2.475 2.738 . 0 0 "[ . 1 . 2]" 1
440 1 61 GLY HA2 1 62 GLU HA . . 4.840 4.803 4.748 4.840 0.000 18 0 "[ . 1 . 2]" 1
441 1 61 GLY HA3 1 62 GLU H . . 3.210 3.068 3.027 3.088 . 0 0 "[ . 1 . 2]" 1
442 1 61 GLY HA3 1 62 GLU HA . . 4.540 4.398 4.378 4.409 . 0 0 "[ . 1 . 2]" 1
443 1 62 GLU H 1 62 GLU HB2 . . 3.270 2.292 2.201 2.541 . 0 0 "[ . 1 . 2]" 1
444 1 62 GLU H 1 62 GLU HB3 . . 3.270 2.796 2.503 2.910 . 0 0 "[ . 1 . 2]" 1
445 1 62 GLU H 1 62 GLU QG . . 4.090 3.967 3.815 4.056 . 0 0 "[ . 1 . 2]" 1
446 1 62 GLU H 1 63 VAL H . . 4.560 4.553 4.506 4.561 0.001 14 0 "[ . 1 . 2]" 1
447 1 62 GLU HA 1 62 GLU QG . . 3.910 2.501 2.189 2.994 . 0 0 "[ . 1 . 2]" 1
448 1 62 GLU HA 1 63 VAL H . . 2.700 2.155 2.142 2.164 . 0 0 "[ . 1 . 2]" 1
449 1 62 GLU QB 1 63 VAL H . . 3.860 3.680 3.608 3.764 . 0 0 "[ . 1 . 2]" 1
450 1 62 GLU HB2 1 63 VAL H . . 4.660 4.354 4.190 4.458 . 0 0 "[ . 1 . 2]" 1
451 1 62 GLU HB3 1 63 VAL H . . 4.660 3.975 3.843 4.199 . 0 0 "[ . 1 . 2]" 1
452 1 62 GLU QG 1 63 VAL H . . 3.850 2.846 2.558 3.416 . 0 0 "[ . 1 . 2]" 1
453 1 63 VAL H 1 63 VAL HB . . 2.970 2.613 2.501 2.789 . 0 0 "[ . 1 . 2]" 1
454 1 63 VAL H 1 63 VAL MG1 . . 4.310 2.912 1.951 3.806 . 0 0 "[ . 1 . 2]" 1
455 1 63 VAL H 1 63 VAL QG . . 2.930 2.190 1.945 2.527 . 0 0 "[ . 1 . 2]" 1
456 1 63 VAL H 1 63 VAL MG2 . . 4.310 3.089 2.129 3.816 . 0 0 "[ . 1 . 2]" 1
457 1 63 VAL H 1 64 VAL H . . 4.620 4.559 4.499 4.609 . 0 0 "[ . 1 . 2]" 1
458 1 63 VAL HA 1 64 VAL H . . 3.370 2.202 2.158 2.278 . 0 0 "[ . 1 . 2]" 1
459 1 63 VAL HB 1 64 VAL H . . 4.550 4.055 3.842 4.151 . 0 0 "[ . 1 . 2]" 1
460 1 63 VAL QG 1 64 VAL H . . 3.390 2.285 2.075 2.547 . 0 0 "[ . 1 . 2]" 1
461 1 63 VAL QG 1 64 VAL MG1 . . 4.610 4.016 3.818 4.199 . 0 0 "[ . 1 . 2]" 1
462 1 63 VAL QG 1 64 VAL MG2 . . 4.390 3.487 3.210 3.666 . 0 0 "[ . 1 . 2]" 1
463 1 63 VAL MG1 1 64 VAL H . . 4.050 3.070 2.208 3.920 . 0 0 "[ . 1 . 2]" 1
464 1 63 VAL MG2 1 64 VAL H . . 4.050 3.099 2.085 4.038 . 0 0 "[ . 1 . 2]" 1
465 1 64 VAL H 1 64 VAL MG2 . . 3.070 2.045 1.928 2.162 . 0 0 "[ . 1 . 2]" 1
466 1 64 VAL HA 1 65 GLU H . . 2.910 2.442 2.282 2.600 . 0 0 "[ . 1 . 2]" 1
467 1 64 VAL HA 1 65 GLU HB2 . . 4.320 4.118 3.984 4.201 . 0 0 "[ . 1 . 2]" 1
468 1 64 VAL HB 1 65 GLU H . . 3.070 2.306 1.973 2.696 . 0 0 "[ . 1 . 2]" 1
469 1 64 VAL HB 1 81 VAL HA . . 4.720 4.033 3.706 4.371 . 0 0 "[ . 1 . 2]" 1
470 1 64 VAL HB 1 81 VAL HB . . 4.490 4.479 4.439 4.491 0.001 6 0 "[ . 1 . 2]" 1
471 1 64 VAL HB 1 81 VAL MG1 . . 3.890 2.011 1.930 2.090 . 0 0 "[ . 1 . 2]" 1
472 1 64 VAL HB 1 82 THR H . . 4.330 3.427 3.191 3.700 . 0 0 "[ . 1 . 2]" 1
473 1 64 VAL MG1 1 65 GLU H . . 3.910 3.560 3.376 3.775 . 0 0 "[ . 1 . 2]" 1
474 1 64 VAL MG1 1 81 VAL MG1 . . 3.360 2.533 2.154 2.723 . 0 0 "[ . 1 . 2]" 1
475 1 64 VAL MG2 1 65 GLU H . . 3.690 3.464 3.199 3.675 . 0 0 "[ . 1 . 2]" 1
476 1 64 VAL MG2 1 66 PHE QE . . 4.140 2.981 2.593 3.485 . 0 0 "[ . 1 . 2]" 1
477 1 64 VAL MG2 1 81 VAL MG1 . . 3.540 1.974 1.891 2.090 . 0 0 "[ . 1 . 2]" 1
478 1 64 VAL MG2 1 81 VAL MG2 . . 3.910 3.725 3.483 3.864 . 0 0 "[ . 1 . 2]" 1
479 1 65 GLU H 1 65 GLU HB2 . . 3.700 2.983 2.679 3.197 . 0 0 "[ . 1 . 2]" 1
480 1 65 GLU H 1 65 GLU HB3 . . 3.480 2.911 2.770 3.112 . 0 0 "[ . 1 . 2]" 1
481 1 65 GLU H 1 65 GLU QG . . 4.720 4.173 4.076 4.325 . 0 0 "[ . 1 . 2]" 1
482 1 65 GLU H 1 66 PHE H . . 4.580 4.392 4.298 4.466 . 0 0 "[ . 1 . 2]" 1
483 1 65 GLU H 1 81 VAL HA . . 4.590 4.093 3.651 4.538 . 0 0 "[ . 1 . 2]" 1
484 1 65 GLU H 1 81 VAL MG1 . . 4.200 3.136 2.747 3.516 . 0 0 "[ . 1 . 2]" 1
485 1 65 GLU H 1 82 THR H . . 3.930 2.864 2.544 3.085 . 0 0 "[ . 1 . 2]" 1
486 1 65 GLU HA 1 65 GLU QG . . 3.730 2.346 2.187 2.705 . 0 0 "[ . 1 . 2]" 1
487 1 65 GLU HA 1 66 PHE H . . 3.000 2.232 2.177 2.301 . 0 0 "[ . 1 . 2]" 1
488 1 65 GLU HB2 1 66 PHE H . . 4.420 4.173 4.027 4.330 . 0 0 "[ . 1 . 2]" 1
489 1 65 GLU HB3 1 66 PHE H . . 3.890 3.757 3.482 3.878 . 0 0 "[ . 1 . 2]" 1
490 1 65 GLU HB3 1 82 THR H . . 4.650 4.114 3.749 4.540 . 0 0 "[ . 1 . 2]" 1
491 1 65 GLU QG 1 66 PHE H . . 3.610 2.357 1.964 2.554 . 0 0 "[ . 1 . 2]" 1
492 1 65 GLU HG2 1 66 PHE H . . 4.130 2.642 1.976 4.097 . 0 0 "[ . 1 . 2]" 1
493 1 65 GLU HG3 1 66 PHE H . . 4.130 3.144 2.187 4.118 . 0 0 "[ . 1 . 2]" 1
494 1 66 PHE H 1 66 PHE HB3 . . 4.130 3.491 3.408 3.588 . 0 0 "[ . 1 . 2]" 1
495 1 66 PHE H 1 66 PHE QD . . 3.540 3.128 2.947 3.291 . 0 0 "[ . 1 . 2]" 1
496 1 66 PHE H 1 66 PHE QE . . 4.590 4.468 4.193 4.588 . 0 0 "[ . 1 . 2]" 1
497 1 66 PHE HA 1 66 PHE QD . . 4.010 3.721 3.705 3.729 . 0 0 "[ . 1 . 2]" 1
498 1 66 PHE HA 1 67 GLU H . . 2.970 2.462 2.387 2.543 . 0 0 "[ . 1 . 2]" 1
499 1 66 PHE HA 1 81 VAL MG2 . . 4.470 4.084 3.891 4.444 . 0 0 "[ . 1 . 2]" 1
500 1 66 PHE HA 1 82 THR H . . 4.350 4.252 3.693 4.350 0.000 7 0 "[ . 1 . 2]" 1
501 1 66 PHE HB2 1 67 GLU H . . 3.140 2.319 2.168 2.474 . 0 0 "[ . 1 . 2]" 1
502 1 66 PHE HB2 1 79 VAL H . . 4.130 3.215 2.824 3.364 . 0 0 "[ . 1 . 2]" 1
503 1 66 PHE HB2 1 81 VAL H . . 4.650 4.556 4.301 4.640 . 0 0 "[ . 1 . 2]" 1
504 1 66 PHE HB2 1 81 VAL MG2 . . 4.470 2.553 2.343 2.977 . 0 0 "[ . 1 . 2]" 1
505 1 66 PHE HB3 1 67 GLU H . . 3.810 3.692 3.565 3.770 . 0 0 "[ . 1 . 2]" 1
506 1 66 PHE HB3 1 79 VAL H . . 4.850 4.719 4.261 4.848 . 0 0 "[ . 1 . 2]" 1
507 1 66 PHE HB3 1 81 VAL H . . 4.420 4.039 3.872 4.189 . 0 0 "[ . 1 . 2]" 1
508 1 66 PHE HB3 1 81 VAL MG2 . . 4.420 2.083 1.960 2.306 . 0 0 "[ . 1 . 2]" 1
509 1 66 PHE QD 1 67 GLU H . . 3.610 3.208 2.786 3.481 . 0 0 "[ . 1 . 2]" 1
510 1 67 GLU H 1 67 GLU HB2 . . 4.000 3.794 3.737 3.859 . 0 0 "[ . 1 . 2]" 1
511 1 67 GLU H 1 67 GLU HB3 . . 3.490 3.210 3.074 3.389 . 0 0 "[ . 1 . 2]" 1
512 1 67 GLU H 1 67 GLU HG2 . . 3.960 2.364 1.968 3.640 . 0 0 "[ . 1 . 2]" 1
513 1 67 GLU H 1 67 GLU HG3 . . 3.960 3.113 2.198 3.960 . 0 0 "[ . 1 . 2]" 1
514 1 67 GLU H 1 79 VAL H . . 3.900 3.669 3.385 3.899 . 0 0 "[ . 1 . 2]" 1
515 1 67 GLU HA 1 68 VAL H . . 3.000 2.242 2.180 2.320 . 0 0 "[ . 1 . 2]" 1
516 1 67 GLU HB2 1 68 VAL H . . 3.540 2.877 2.658 3.103 . 0 0 "[ . 1 . 2]" 1
517 1 67 GLU HB3 1 68 VAL H . . 4.100 3.964 3.851 4.094 . 0 0 "[ . 1 . 2]" 1
518 1 67 GLU QG 1 68 VAL H . . 4.140 3.992 3.763 4.140 0.000 17 0 "[ . 1 . 2]" 1
519 1 67 GLU QG 1 79 VAL H . . 5.040 4.290 4.083 4.480 . 0 0 "[ . 1 . 2]" 1
520 1 68 VAL H 1 68 VAL HB . . 3.090 2.568 2.499 2.702 . 0 0 "[ . 1 . 2]" 1
521 1 68 VAL H 1 68 VAL MG1 . . 4.100 3.159 1.974 3.784 . 0 0 "[ . 1 . 2]" 1
522 1 68 VAL H 1 68 VAL QG . . 3.580 2.184 1.967 2.413 . 0 0 "[ . 1 . 2]" 1
523 1 68 VAL H 1 68 VAL MG2 . . 4.100 2.815 2.094 3.776 . 0 0 "[ . 1 . 2]" 1
524 1 68 VAL H 1 69 GLU H . . 4.650 4.516 4.471 4.591 . 0 0 "[ . 1 . 2]" 1
525 1 68 VAL H 1 78 ALA MB . . 5.210 4.887 4.353 5.191 . 0 0 "[ . 1 . 2]" 1
526 1 68 VAL HA 1 69 GLU H . . 2.700 2.152 2.142 2.198 . 0 0 "[ . 1 . 2]" 1
527 1 68 VAL QG 1 69 GLU H . . 3.680 2.482 2.093 2.689 . 0 0 "[ . 1 . 2]" 1
528 1 68 VAL QG 1 69 GLU QB . . 4.140 4.056 3.893 4.139 . 0 0 "[ . 1 . 2]" 1
529 1 68 VAL QG 1 76 SER QB . . 3.650 1.961 1.809 2.119 . 0 0 "[ . 1 . 2]" 1
530 1 68 VAL QG 1 77 LYS H . . 4.670 2.667 2.168 3.099 . 0 0 "[ . 1 . 2]" 1
531 1 68 VAL QG 1 78 ALA H . . 4.690 4.227 3.808 4.469 . 0 0 "[ . 1 . 2]" 1
532 1 68 VAL QG 1 78 ALA HA . . 4.920 3.558 3.327 3.811 . 0 0 "[ . 1 . 2]" 1
533 1 68 VAL QG 1 78 ALA MB . . 4.070 3.385 2.929 3.895 . 0 0 "[ . 1 . 2]" 1
534 1 68 VAL MG1 1 69 GLU H . . 4.430 3.053 2.403 4.084 . 0 0 "[ . 1 . 2]" 1
535 1 68 VAL MG1 1 78 ALA MB . . 4.930 4.449 3.918 4.930 0.000 17 0 "[ . 1 . 2]" 1
536 1 68 VAL MG2 1 69 GLU H . . 4.430 3.483 2.104 4.116 . 0 0 "[ . 1 . 2]" 1
537 1 68 VAL MG2 1 78 ALA MB . . 4.930 3.512 3.025 4.080 . 0 0 "[ . 1 . 2]" 1
538 1 69 GLU H 1 69 GLU HB2 . . 3.690 2.786 2.614 2.980 . 0 0 "[ . 1 . 2]" 1
539 1 69 GLU H 1 69 GLU QB . . 3.190 2.462 2.378 2.595 . 0 0 "[ . 1 . 2]" 1
540 1 69 GLU H 1 69 GLU HB3 . . 3.690 2.764 2.545 2.949 . 0 0 "[ . 1 . 2]" 1
541 1 69 GLU H 1 69 GLU QG . . 4.740 4.104 4.024 4.216 . 0 0 "[ . 1 . 2]" 1
542 1 69 GLU H 1 70 ALA H . . 4.520 4.453 4.357 4.503 . 0 0 "[ . 1 . 2]" 1
543 1 69 GLU H 1 76 SER QB . . 4.900 4.208 3.537 4.778 . 0 0 "[ . 1 . 2]" 1
544 1 69 GLU H 1 77 LYS H . . 3.920 2.919 2.525 3.073 . 0 0 "[ . 1 . 2]" 1
545 1 69 GLU H 1 79 VAL MG2 . . 3.780 3.715 3.503 3.780 . 0 0 "[ . 1 . 2]" 1
546 1 69 GLU HA 1 70 ALA H . . 2.890 2.205 2.146 2.338 . 0 0 "[ . 1 . 2]" 1
547 1 69 GLU HA 1 77 LYS H . . 4.800 4.770 4.683 4.800 . 0 0 "[ . 1 . 2]" 1
548 1 69 GLU QB 1 70 ALA H . . 3.780 3.567 3.231 3.772 . 0 0 "[ . 1 . 2]" 1
549 1 69 GLU QB 1 79 VAL H . . 4.850 4.389 4.013 4.674 . 0 0 "[ . 1 . 2]" 1
550 1 69 GLU QB 1 79 VAL MG1 . . 4.340 3.858 3.265 4.340 . 0 0 "[ . 1 . 2]" 1
551 1 69 GLU QB 1 79 VAL MG2 . . 3.740 2.611 2.282 2.937 . 0 0 "[ . 1 . 2]" 1
552 1 69 GLU HB2 1 70 ALA H . . 4.400 4.223 4.062 4.356 . 0 0 "[ . 1 . 2]" 1
553 1 69 GLU HB2 1 79 VAL MG1 . . 5.060 4.627 3.958 4.993 . 0 0 "[ . 1 . 2]" 1
554 1 69 GLU HB2 1 79 VAL MG2 . . 4.260 2.859 2.407 3.267 . 0 0 "[ . 1 . 2]" 1
555 1 69 GLU HB3 1 70 ALA H . . 4.400 3.855 3.392 4.202 . 0 0 "[ . 1 . 2]" 1
556 1 69 GLU HB3 1 79 VAL MG1 . . 5.060 4.136 3.477 4.767 . 0 0 "[ . 1 . 2]" 1
557 1 69 GLU HB3 1 79 VAL MG2 . . 4.260 3.045 2.741 3.484 . 0 0 "[ . 1 . 2]" 1
558 1 69 GLU QG 1 70 ALA HA . . 4.930 4.258 3.997 4.520 . 0 0 "[ . 1 . 2]" 1
559 1 69 GLU QG 1 79 VAL MG2 . . 5.320 3.956 3.000 4.553 . 0 0 "[ . 1 . 2]" 1
560 1 69 GLU HG2 1 70 ALA H . . 4.240 3.063 1.980 4.158 . 0 0 "[ . 1 . 2]" 1
561 1 69 GLU HG3 1 70 ALA H . . 4.240 2.989 2.143 3.609 . 0 0 "[ . 1 . 2]" 1
562 1 70 ALA H 1 71 GLY H . . 4.450 4.357 4.235 4.444 . 0 0 "[ . 1 . 2]" 1
563 1 70 ALA MB 1 77 LYS H . . 5.500 4.847 4.530 5.210 . 0 0 "[ . 1 . 2]" 1
564 1 71 GLY H 1 72 PRO QD . . 4.820 4.227 4.203 4.283 . 0 0 "[ . 1 . 2]" 1
565 1 71 GLY H 1 74 GLY QA . . 5.130 4.838 4.369 5.049 . 0 0 "[ . 1 . 2]" 1
566 1 71 GLY H 1 75 ARG H . . 4.370 4.216 3.271 4.369 . 0 0 "[ . 1 . 2]" 1
567 1 71 GLY QA 1 74 GLY H . . 4.540 3.736 3.349 3.904 . 0 0 "[ . 1 . 2]" 1
568 1 71 GLY QA 1 75 ARG H . . 5.110 4.614 3.325 4.921 . 0 0 "[ . 1 . 2]" 1
569 1 72 PRO HA 1 73 ASP H . . 3.510 3.454 3.447 3.481 . 0 0 "[ . 1 . 2]" 1
570 1 72 PRO QD 1 73 ASP H . . 4.290 2.665 2.631 2.676 . 0 0 "[ . 1 . 2]" 1
571 1 72 PRO QG 1 73 ASP H . . 4.190 2.715 2.587 2.749 . 0 0 "[ . 1 . 2]" 1
572 1 73 ASP H 1 73 ASP QB . . 3.680 2.331 2.176 2.697 . 0 0 "[ . 1 . 2]" 1
573 1 73 ASP H 1 74 GLY H . . 5.060 2.429 2.199 2.519 . 0 0 "[ . 1 . 2]" 1
574 1 73 ASP QB 1 75 ARG H . . 4.120 2.698 2.475 3.277 . 0 0 "[ . 1 . 2]" 1
575 1 73 ASP HB2 1 75 ARG H . . 4.700 3.168 2.521 4.452 . 0 0 "[ . 1 . 2]" 1
576 1 73 ASP HB3 1 75 ARG H . . 4.700 3.314 2.495 4.063 . 0 0 "[ . 1 . 2]" 1
577 1 74 GLY H 1 75 ARG H . . 3.170 2.438 1.965 2.523 . 0 0 "[ . 1 . 2]" 1
578 1 74 GLY H 1 75 ARG QG . . 4.640 3.670 3.328 3.945 . 0 0 "[ . 1 . 2]" 1
579 1 75 ARG H 1 75 ARG HB3 . . 2.890 2.642 2.417 2.836 . 0 0 "[ . 1 . 2]" 1
580 1 75 ARG H 1 75 ARG QD . . 4.720 3.690 2.954 4.203 . 0 0 "[ . 1 . 2]" 1
581 1 75 ARG H 1 75 ARG HG2 . . 4.330 2.103 1.950 2.364 . 0 0 "[ . 1 . 2]" 1
582 1 75 ARG H 1 75 ARG QG . . 3.600 2.081 1.937 2.343 . 0 0 "[ . 1 . 2]" 1
583 1 75 ARG H 1 75 ARG HG3 . . 4.330 3.388 2.854 3.839 . 0 0 "[ . 1 . 2]" 1
584 1 75 ARG H 1 76 SER H . . 4.800 4.598 4.562 4.626 . 0 0 "[ . 1 . 2]" 1
585 1 75 ARG HA 1 75 ARG HG2 . . 4.020 3.708 3.590 3.839 . 0 0 "[ . 1 . 2]" 1
586 1 75 ARG HA 1 75 ARG QG . . 3.460 3.341 3.331 3.344 . 0 0 "[ . 1 . 2]" 1
587 1 75 ARG HA 1 75 ARG HG3 . . 4.020 3.807 3.679 3.945 . 0 0 "[ . 1 . 2]" 1
588 1 75 ARG HA 1 76 SER H . . 3.240 2.352 2.258 2.464 . 0 0 "[ . 1 . 2]" 1
589 1 75 ARG HB2 1 76 SER H . . 3.550 2.589 2.320 2.820 . 0 0 "[ . 1 . 2]" 1
590 1 75 ARG HB2 1 76 SER HA . . 4.920 4.662 4.553 4.847 . 0 0 "[ . 1 . 2]" 1
591 1 75 ARG HB3 1 76 SER H . . 4.000 3.881 3.724 3.991 . 0 0 "[ . 1 . 2]" 1
592 1 75 ARG QG 1 76 SER H . . 4.290 3.568 3.148 3.943 . 0 0 "[ . 1 . 2]" 1
593 1 75 ARG QG 1 76 SER HA . . 4.580 3.978 3.714 4.235 . 0 0 "[ . 1 . 2]" 1
594 1 75 ARG QG 1 77 LYS QG . . 4.530 3.596 2.531 4.521 . 0 0 "[ . 1 . 2]" 1
595 1 76 SER H 1 76 SER HB2 . . 3.840 3.259 2.710 3.728 . 0 0 "[ . 1 . 2]" 1
596 1 76 SER H 1 76 SER HB3 . . 3.840 3.538 3.250 3.838 . 0 0 "[ . 1 . 2]" 1
597 1 76 SER H 1 77 LYS H . . 4.540 4.484 4.396 4.540 . 0 0 "[ . 1 . 2]" 1
598 1 76 SER HA 1 77 LYS H . . 2.980 2.245 2.193 2.371 . 0 0 "[ . 1 . 2]" 1
599 1 76 SER HA 1 77 LYS QG . . 5.340 3.777 3.364 4.329 . 0 0 "[ . 1 . 2]" 1
600 1 76 SER QB 1 77 LYS H . . 3.040 2.841 2.565 3.005 . 0 0 "[ . 1 . 2]" 1
601 1 76 SER HB2 1 77 LYS H . . 3.780 3.269 2.721 3.754 . 0 0 "[ . 1 . 2]" 1
602 1 76 SER HB3 1 77 LYS H . . 3.780 3.373 2.666 3.776 . 0 0 "[ . 1 . 2]" 1
603 1 77 LYS H 1 77 LYS QB . . 3.650 3.019 2.694 3.310 . 0 0 "[ . 1 . 2]" 1
604 1 77 LYS H 1 77 LYS HG2 . . 4.420 3.322 2.372 4.417 . 0 0 "[ . 1 . 2]" 1
605 1 77 LYS H 1 77 LYS QG . . 3.570 2.895 2.328 3.562 . 0 0 "[ . 1 . 2]" 1
606 1 77 LYS H 1 77 LYS HG3 . . 4.420 3.532 2.355 4.414 . 0 0 "[ . 1 . 2]" 1
607 1 77 LYS H 1 78 ALA H . . 4.840 4.359 4.246 4.432 . 0 0 "[ . 1 . 2]" 1
608 1 77 LYS H 1 78 ALA MB . . 5.500 5.265 5.052 5.441 . 0 0 "[ . 1 . 2]" 1
609 1 77 LYS HA 1 78 ALA H . . 3.040 2.351 2.193 2.463 . 0 0 "[ . 1 . 2]" 1
610 1 77 LYS QB 1 78 ALA H . . 3.530 2.560 2.287 3.032 . 0 0 "[ . 1 . 2]" 1
611 1 77 LYS QB 1 79 VAL MG1 . . 4.000 3.357 3.075 3.829 . 0 0 "[ . 1 . 2]" 1
612 1 77 LYS HB2 1 78 ALA H . . 4.300 3.116 2.310 4.230 . 0 0 "[ . 1 . 2]" 1
613 1 77 LYS HB3 1 78 ALA H . . 4.300 3.288 2.338 4.003 . 0 0 "[ . 1 . 2]" 1
614 1 77 LYS QE 1 78 ALA H . . 5.170 4.935 3.961 5.170 . 0 0 "[ . 1 . 2]" 1
615 1 77 LYS QG 1 78 ALA H . . 4.380 3.898 3.396 4.339 . 0 0 "[ . 1 . 2]" 1
616 1 78 ALA H 1 78 ALA MB . . 3.000 2.210 2.097 2.353 . 0 0 "[ . 1 . 2]" 1
617 1 78 ALA H 1 79 VAL H . . 4.760 4.525 4.467 4.579 . 0 0 "[ . 1 . 2]" 1
618 1 78 ALA H 1 79 VAL MG1 . . 4.750 4.030 3.773 4.188 . 0 0 "[ . 1 . 2]" 1
619 1 78 ALA HA 1 79 VAL H . . 2.890 2.196 2.166 2.239 . 0 0 "[ . 1 . 2]" 1
620 1 78 ALA MB 1 79 VAL H . . 3.260 2.938 2.798 3.054 . 0 0 "[ . 1 . 2]" 1
621 1 79 VAL H 1 79 VAL MG1 . . 4.060 3.268 3.077 3.379 . 0 0 "[ . 1 . 2]" 1
622 1 79 VAL H 1 79 VAL MG2 . . 3.160 2.386 2.247 2.450 . 0 0 "[ . 1 . 2]" 1
623 1 79 VAL H 1 80 ASN H . . 4.520 4.397 4.388 4.418 . 0 0 "[ . 1 . 2]" 1
624 1 79 VAL HA 1 80 ASN H . . 3.530 2.494 2.401 2.552 . 0 0 "[ . 1 . 2]" 1
625 1 79 VAL HB 1 80 ASN H . . 3.110 2.181 2.060 2.384 . 0 0 "[ . 1 . 2]" 1
626 1 79 VAL HB 1 80 ASN HA . . 4.710 4.162 4.081 4.287 . 0 0 "[ . 1 . 2]" 1
627 1 79 VAL HB 1 81 VAL H . . 5.150 4.804 4.510 5.051 . 0 0 "[ . 1 . 2]" 1
628 1 79 VAL MG1 1 80 ASN H . . 4.050 3.482 3.405 3.627 . 0 0 "[ . 1 . 2]" 1
629 1 79 VAL MG2 1 80 ASN H . . 3.690 3.380 3.022 3.606 . 0 0 "[ . 1 . 2]" 1
630 1 79 VAL MG2 1 80 ASN HD21 . . 4.590 2.888 2.029 4.336 . 0 0 "[ . 1 . 2]" 1
631 1 79 VAL MG2 1 80 ASN QD . . 3.990 2.570 2.010 3.600 . 0 0 "[ . 1 . 2]" 1
632 1 79 VAL MG2 1 80 ASN HD22 . . 4.590 3.061 2.404 4.138 . 0 0 "[ . 1 . 2]" 1
633 1 80 ASN H 1 80 ASN HA . . 2.920 2.275 2.274 2.279 . 0 0 "[ . 1 . 2]" 1
634 1 80 ASN H 1 80 ASN QB . . 3.680 3.336 3.179 3.429 . 0 0 "[ . 1 . 2]" 1
635 1 80 ASN H 1 81 VAL H . . 3.530 2.792 2.669 2.888 . 0 0 "[ . 1 . 2]" 1
636 1 80 ASN HA 1 81 VAL H . . 3.130 2.719 2.638 2.897 . 0 0 "[ . 1 . 2]" 1
637 1 80 ASN HA 1 81 VAL HB . . 5.470 5.200 5.111 5.275 . 0 0 "[ . 1 . 2]" 1
638 1 80 ASN QB 1 81 VAL HA . . 4.630 4.341 4.313 4.387 . 0 0 "[ . 1 . 2]" 1
639 1 80 ASN HB2 1 81 VAL H . . 4.870 4.294 4.122 4.389 . 0 0 "[ . 1 . 2]" 1
640 1 80 ASN HB2 1 81 VAL HA . . 5.360 4.770 4.583 5.038 . 0 0 "[ . 1 . 2]" 1
641 1 80 ASN HB3 1 81 VAL H . . 4.870 4.449 4.366 4.523 . 0 0 "[ . 1 . 2]" 1
642 1 80 ASN HB3 1 81 VAL HA . . 5.360 5.035 4.751 5.291 . 0 0 "[ . 1 . 2]" 1
643 1 81 VAL H 1 81 VAL HB . . 3.090 2.608 2.596 2.633 . 0 0 "[ . 1 . 2]" 1
644 1 81 VAL H 1 81 VAL MG1 . . 4.320 3.791 3.769 3.810 . 0 0 "[ . 1 . 2]" 1
645 1 81 VAL H 1 81 VAL MG2 . . 2.910 2.232 1.975 2.400 . 0 0 "[ . 1 . 2]" 1
646 1 81 VAL H 1 82 THR H . . 4.540 4.416 4.321 4.525 . 0 0 "[ . 1 . 2]" 1
647 1 81 VAL HA 1 82 THR H . . 2.960 2.146 2.139 2.159 . 0 0 "[ . 1 . 2]" 1
648 1 81 VAL HB 1 82 THR H . . 5.030 4.238 4.065 4.320 . 0 0 "[ . 1 . 2]" 1
649 1 81 VAL MG1 1 82 THR H . . 3.630 2.848 2.539 3.102 . 0 0 "[ . 1 . 2]" 1
650 1 81 VAL MG2 1 82 THR H . . 4.440 4.185 4.108 4.237 . 0 0 "[ . 1 . 2]" 1
651 1 82 THR H 1 82 THR HB . . 3.890 3.048 2.521 3.806 . 0 0 "[ . 1 . 2]" 1
652 1 82 THR H 1 82 THR MG . . 4.040 3.372 1.994 4.018 . 0 0 "[ . 1 . 2]" 1
653 1 82 THR HA 1 82 THR MG . . 3.350 2.389 2.135 3.207 . 0 0 "[ . 1 . 2]" 1
stop_
save_