NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382346 |
1jfj   |
4271 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jfj
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 647
_Distance_constraint_stats_list.Viol_count 1527
_Distance_constraint_stats_list.Viol_total 1535.731
_Distance_constraint_stats_list.Viol_max 0.868
_Distance_constraint_stats_list.Viol_rms 0.0223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_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 4 ALA 0.002 0.002 20 0 "[ . 1 . 2]"
1 5 LEU 0.036 0.021 6 0 "[ . 1 . 2]"
1 6 PHE 0.488 0.098 15 0 "[ . 1 . 2]"
1 7 LYS 0.074 0.032 15 0 "[ . 1 . 2]"
1 8 GLU 0.020 0.010 19 0 "[ . 1 . 2]"
1 9 ILE 0.054 0.021 6 0 "[ . 1 . 2]"
1 10 ASP 0.044 0.016 6 0 "[ . 1 . 2]"
1 11 VAL 0.110 0.066 18 0 "[ . 1 . 2]"
1 12 ASN 0.444 0.066 18 0 "[ . 1 . 2]"
1 13 GLY 0.386 0.043 19 0 "[ . 1 . 2]"
1 14 ASP 0.026 0.026 18 0 "[ . 1 . 2]"
1 15 GLY 0.198 0.041 18 0 "[ . 1 . 2]"
1 16 ALA 0.716 0.083 16 0 "[ . 1 . 2]"
1 17 VAL 0.503 0.080 16 0 "[ . 1 . 2]"
1 18 SER 3.139 0.139 17 0 "[ . 1 . 2]"
1 19 TYR 1.264 0.111 14 0 "[ . 1 . 2]"
1 20 GLU 0.842 0.070 5 0 "[ . 1 . 2]"
1 21 GLU 1.402 0.139 17 0 "[ . 1 . 2]"
1 22 VAL 0.457 0.078 13 0 "[ . 1 . 2]"
1 23 LYS 1.549 0.123 1 0 "[ . 1 . 2]"
1 24 ALA 0.301 0.070 5 0 "[ . 1 . 2]"
1 25 PHE 0.102 0.037 9 0 "[ . 1 . 2]"
1 26 VAL 0.730 0.123 1 0 "[ . 1 . 2]"
1 27 SER 0.295 0.099 2 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.119 0.119 13 0 "[ . 1 . 2]"
1 30 ARG 0.765 0.165 12 0 "[ . 1 . 2]"
1 31 ALA 0.905 0.151 13 0 "[ . 1 . 2]"
1 32 ILE 1.761 0.241 19 0 "[ . 1 . 2]"
1 33 LYS 0.884 0.151 13 0 "[ . 1 . 2]"
1 34 ASN 0.716 0.241 19 0 "[ . 1 . 2]"
1 35 GLU 0.583 0.106 9 0 "[ . 1 . 2]"
1 36 GLN 0.973 0.078 9 0 "[ . 1 . 2]"
1 37 LEU 0.476 0.069 17 0 "[ . 1 . 2]"
1 38 LEU 0.358 0.078 9 0 "[ . 1 . 2]"
1 39 GLN 1.019 0.106 9 0 "[ . 1 . 2]"
1 40 LEU 0.839 0.077 20 0 "[ . 1 . 2]"
1 41 ILE 0.491 0.069 17 0 "[ . 1 . 2]"
1 42 PHE 0.371 0.107 8 0 "[ . 1 . 2]"
1 43 LYS 0.307 0.060 15 0 "[ . 1 . 2]"
1 44 SER 2.427 0.131 14 0 "[ . 1 . 2]"
1 45 ILE 2.382 0.131 14 0 "[ . 1 . 2]"
1 46 ASP 0.112 0.064 14 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.051 0.030 20 0 "[ . 1 . 2]"
1 49 GLY 0.084 0.062 20 0 "[ . 1 . 2]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 1.857 0.147 10 0 "[ . 1 . 2]"
1 52 GLU 1.347 0.103 18 0 "[ . 1 . 2]"
1 53 ILE 1.884 0.148 18 0 "[ . 1 . 2]"
1 54 ASP 1.588 0.868 2 1 "[ + . 1 . 2]"
1 55 GLN 0.521 0.098 15 0 "[ . 1 . 2]"
1 56 ASN 0.542 0.080 18 0 "[ . 1 . 2]"
1 57 GLU 0.904 0.868 2 1 "[ + . 1 . 2]"
1 58 PHE 0.077 0.048 14 0 "[ . 1 . 2]"
1 59 ALA 0.034 0.015 5 0 "[ . 1 . 2]"
1 60 LYS 0.542 0.080 18 0 "[ . 1 . 2]"
1 61 PHE 0.023 0.021 17 0 "[ . 1 . 2]"
1 62 TYR 0.077 0.048 14 0 "[ . 1 . 2]"
1 63 GLY 0.106 0.024 14 0 "[ . 1 . 2]"
1 64 SER 0.080 0.024 14 0 "[ . 1 . 2]"
1 65 ILE 0.026 0.021 14 0 "[ . 1 . 2]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLN 0.016 0.016 18 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.007 0.007 9 0 "[ . 1 . 2]"
1 71 SER 0.001 0.001 17 0 "[ . 1 . 2]"
1 72 ASP 1.317 0.103 14 0 "[ . 1 . 2]"
1 73 ASP 3.631 0.153 13 0 "[ . 1 . 2]"
1 74 LYS 3.872 0.153 13 0 "[ . 1 . 2]"
1 75 ILE 2.932 0.133 13 0 "[ . 1 . 2]"
1 76 GLY 1.489 0.133 13 0 "[ . 1 . 2]"
1 77 LEU 1.546 0.128 11 0 "[ . 1 . 2]"
1 78 LYS 2.992 0.128 11 0 "[ . 1 . 2]"
1 79 VAL 3.001 0.099 1 0 "[ . 1 . 2]"
1 80 LEU 4.076 0.129 17 0 "[ . 1 . 2]"
1 81 TYR 4.392 0.134 8 0 "[ . 1 . 2]"
1 82 LYS 3.610 0.134 8 0 "[ . 1 . 2]"
1 83 LEU 1.586 0.123 17 0 "[ . 1 . 2]"
1 84 MET 0.035 0.017 7 0 "[ . 1 . 2]"
1 85 ASP 1.358 0.099 6 0 "[ . 1 . 2]"
1 86 VAL 1.434 0.099 6 0 "[ . 1 . 2]"
1 87 ASP 0.124 0.044 15 0 "[ . 1 . 2]"
1 88 GLY 0.003 0.003 14 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.051 0.014 12 0 "[ . 1 . 2]"
1 91 LYS 0.232 0.045 16 0 "[ . 1 . 2]"
1 92 LEU 0.445 0.079 12 0 "[ . 1 . 2]"
1 93 THR 0.911 0.079 12 0 "[ . 1 . 2]"
1 94 LYS 1.572 0.124 16 0 "[ . 1 . 2]"
1 95 GLU 3.173 0.134 14 0 "[ . 1 . 2]"
1 96 GLU 4.367 0.145 16 0 "[ . 1 . 2]"
1 97 VAL 3.563 0.145 16 0 "[ . 1 . 2]"
1 98 THR 2.568 0.130 20 0 "[ . 1 . 2]"
1 99 SER 3.912 0.146 9 0 "[ . 1 . 2]"
1 100 PHE 4.786 0.146 9 0 "[ . 1 . 2]"
1 101 PHE 2.950 0.137 7 0 "[ . 1 . 2]"
1 102 LYS 0.966 0.078 19 0 "[ . 1 . 2]"
1 103 LYS 0.361 0.042 19 0 "[ . 1 . 2]"
1 104 HIS 0.123 0.078 19 0 "[ . 1 . 2]"
1 105 GLY 0.015 0.010 20 0 "[ . 1 . 2]"
1 106 ILE 0.100 0.054 14 0 "[ . 1 . 2]"
1 107 GLU 0.069 0.054 14 0 "[ . 1 . 2]"
1 108 LYS 0.588 0.049 3 0 "[ . 1 . 2]"
1 109 VAL 0.537 0.049 3 0 "[ . 1 . 2]"
1 110 ALA 2.113 0.121 16 0 "[ . 1 . 2]"
1 111 GLU 3.398 0.121 16 0 "[ . 1 . 2]"
1 112 GLN 3.502 0.136 14 0 "[ . 1 . 2]"
1 113 VAL 2.935 0.136 14 0 "[ . 1 . 2]"
1 114 MET 3.133 0.122 20 0 "[ . 1 . 2]"
1 115 LYS 3.028 0.122 20 0 "[ . 1 . 2]"
1 116 ALA 2.000 0.063 18 0 "[ . 1 . 2]"
1 117 ASP 0.782 0.050 4 0 "[ . 1 . 2]"
1 118 ALA 0.039 0.039 14 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLY 0.028 0.023 20 0 "[ . 1 . 2]"
1 123 TYR 0.310 0.070 16 0 "[ . 1 . 2]"
1 124 ILE 0.035 0.018 16 0 "[ . 1 . 2]"
1 125 THR 0.372 0.048 4 0 "[ . 1 . 2]"
1 126 LEU 0.592 0.059 9 0 "[ . 1 . 2]"
1 127 GLU 2.100 0.100 13 0 "[ . 1 . 2]"
1 128 GLU 3.490 0.106 4 0 "[ . 1 . 2]"
1 129 PHE 2.807 0.106 4 0 "[ . 1 . 2]"
1 130 LEU 1.390 0.102 12 0 "[ . 1 . 2]"
1 131 GLU 1.888 0.136 13 0 "[ . 1 . 2]"
1 132 PHE 3.315 0.136 13 0 "[ . 1 . 2]"
1 133 SER 2.697 0.120 6 0 "[ . 1 . 2]"
1 134 LEU 1.298 0.119 20 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 4 ALA MB 1 5 LEU H . . 4.000 2.675 2.364 2.937 . 0 0 "[ . 1 . 2]" 1
2 1 4 ALA O 1 8 GLU H . . 2.000 1.876 1.800 2.002 0.002 20 0 "[ . 1 . 2]" 1
3 1 4 ALA O 1 8 GLU N . . 3.000 2.750 2.649 2.935 . 0 0 "[ . 1 . 2]" 1
4 1 5 LEU H 1 5 LEU MD1 . . 5.500 3.315 2.121 4.142 . 0 0 "[ . 1 . 2]" 1
5 1 5 LEU H 1 5 LEU MD2 . . 5.500 3.798 1.961 4.347 . 0 0 "[ . 1 . 2]" 1
6 1 5 LEU H 1 5 LEU HG . . 5.000 3.619 2.565 4.465 . 0 0 "[ . 1 . 2]" 1
7 1 5 LEU H 1 6 PHE H . . 3.500 2.910 2.485 3.129 . 0 0 "[ . 1 . 2]" 1
8 1 5 LEU HA 1 8 GLU H . . 4.500 3.158 2.988 3.455 . 0 0 "[ . 1 . 2]" 1
9 1 5 LEU HG 1 6 PHE H . . 5.500 4.819 4.311 5.077 . 0 0 "[ . 1 . 2]" 1
10 1 5 LEU O 1 9 ILE H . . 2.000 1.929 1.796 2.021 0.021 6 0 "[ . 1 . 2]" 1
11 1 5 LEU O 1 9 ILE N . . 3.000 2.870 2.684 2.987 . 0 0 "[ . 1 . 2]" 1
12 1 6 PHE H 1 6 PHE HB3 . . 4.000 2.508 1.973 3.220 . 0 0 "[ . 1 . 2]" 1
13 1 6 PHE H 1 7 LYS H . . 3.500 2.864 2.730 3.008 . 0 0 "[ . 1 . 2]" 1
14 1 6 PHE HA 1 9 ILE HB . . 4.500 3.410 2.814 4.183 . 0 0 "[ . 1 . 2]" 1
15 1 6 PHE HB3 1 55 GLN HA . . 4.500 4.524 4.487 4.598 0.098 15 0 "[ . 1 . 2]" 1
16 1 6 PHE QE 1 17 VAL HA . . 5.500 4.681 3.410 5.191 . 0 0 "[ . 1 . 2]" 1
17 1 6 PHE QE 1 53 ILE MD . . 6.000 3.477 2.718 4.502 . 0 0 "[ . 1 . 2]" 1
18 1 7 LYS H 1 8 GLU H . . 2.650 2.493 2.426 2.640 . 0 0 "[ . 1 . 2]" 1
19 1 7 LYS HA 1 15 GLY H . . 5.000 4.848 4.359 5.032 0.032 15 0 "[ . 1 . 2]" 1
20 1 8 GLU H 1 8 GLU HB3 . . 4.000 2.424 2.239 2.905 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLU H 1 9 ILE H . . 3.000 2.872 2.634 3.010 0.010 19 0 "[ . 1 . 2]" 1
22 1 9 ILE H 1 9 ILE HB . . 4.000 2.130 1.990 2.431 . 0 0 "[ . 1 . 2]" 1
23 1 9 ILE H 1 10 ASP H . . 3.500 2.773 2.549 2.876 . 0 0 "[ . 1 . 2]" 1
24 1 9 ILE HA 1 10 ASP H . . 4.600 3.560 3.539 3.598 . 0 0 "[ . 1 . 2]" 1
25 1 9 ILE HB 1 10 ASP H . . 4.000 3.560 3.006 3.984 . 0 0 "[ . 1 . 2]" 1
26 1 9 ILE MG 1 10 ASP H . . 5.910 2.544 1.962 3.695 . 0 0 "[ . 1 . 2]" 1
27 1 9 ILE MG 1 11 VAL H . . 6.000 4.131 3.669 4.559 . 0 0 "[ . 1 . 2]" 1
28 1 10 ASP CG 1 15 GLY H . . 3.000 2.829 2.389 3.016 0.016 6 0 "[ . 1 . 2]" 1
29 1 10 ASP H 1 10 ASP HB3 . . 4.000 2.755 2.257 3.550 . 0 0 "[ . 1 . 2]" 1
30 1 10 ASP H 1 11 VAL H . . 4.500 3.778 3.392 3.973 . 0 0 "[ . 1 . 2]" 1
31 1 10 ASP HA 1 11 VAL H . . 4.000 2.554 2.462 2.755 . 0 0 "[ . 1 . 2]" 1
32 1 10 ASP HA 1 12 ASN H . . 4.200 3.496 3.189 4.114 . 0 0 "[ . 1 . 2]" 1
33 1 11 VAL H 1 11 VAL HB . . 4.000 2.505 2.169 3.530 . 0 0 "[ . 1 . 2]" 1
34 1 11 VAL H 1 11 VAL MG2 . . 4.000 2.086 1.883 2.471 . 0 0 "[ . 1 . 2]" 1
35 1 11 VAL H 1 12 ASN H . . 4.110 2.824 2.463 3.184 . 0 0 "[ . 1 . 2]" 1
36 1 11 VAL HA 1 12 ASN H . . 4.000 3.589 3.533 3.641 . 0 0 "[ . 1 . 2]" 1
37 1 11 VAL HB 1 12 ASN H . . 3.020 2.817 2.375 3.086 0.066 18 0 "[ . 1 . 2]" 1
38 1 11 VAL MG2 1 12 ASN H . . 5.500 3.769 1.795 4.192 . 0 0 "[ . 1 . 2]" 1
39 1 12 ASN H 1 12 ASN HB3 . . 4.110 3.122 2.256 3.543 . 0 0 "[ . 1 . 2]" 1
40 1 12 ASN H 1 13 GLY H . . 3.500 2.845 2.387 3.060 . 0 0 "[ . 1 . 2]" 1
41 1 12 ASN HA 1 13 GLY H . . 3.610 3.614 3.538 3.653 0.043 19 0 "[ . 1 . 2]" 1
42 1 12 ASN HB3 1 13 GLY H . . 5.500 3.863 3.528 4.219 . 0 0 "[ . 1 . 2]" 1
43 1 13 GLY H 1 14 ASP H . . 3.990 2.668 2.240 3.646 . 0 0 "[ . 1 . 2]" 1
44 1 13 GLY H 1 15 GLY H . . 4.660 4.169 3.561 4.701 0.041 18 0 "[ . 1 . 2]" 1
45 1 13 GLY QA 1 14 ASP H . . 3.870 2.579 2.177 2.859 . 0 0 "[ . 1 . 2]" 1
46 1 13 GLY QA 1 15 GLY H . . 5.110 3.720 3.103 4.063 . 0 0 "[ . 1 . 2]" 1
47 1 14 ASP H 1 14 ASP HB3 . . 3.930 3.129 2.319 3.956 0.026 18 0 "[ . 1 . 2]" 1
48 1 14 ASP H 1 15 GLY H . . 4.000 1.969 1.878 2.222 . 0 0 "[ . 1 . 2]" 1
49 1 14 ASP HA 1 15 GLY H . . 4.000 3.585 3.438 3.635 . 0 0 "[ . 1 . 2]" 1
50 1 14 ASP HB3 1 15 GLY H . . 4.760 3.865 2.423 4.265 . 0 0 "[ . 1 . 2]" 1
51 1 15 GLY H 1 15 GLY HA2 . . 3.000 2.348 2.273 2.466 . 0 0 "[ . 1 . 2]" 1
52 1 15 GLY H 1 15 GLY HA3 . . 3.000 2.933 2.879 2.961 . 0 0 "[ . 1 . 2]" 1
53 1 15 GLY H 1 16 ALA H . . 4.000 2.230 1.959 2.659 . 0 0 "[ . 1 . 2]" 1
54 1 15 GLY H 1 16 ALA HA . . 5.500 4.806 4.540 5.133 . 0 0 "[ . 1 . 2]" 1
55 1 15 GLY H 1 16 ALA MB . . 6.220 4.151 3.782 4.590 . 0 0 "[ . 1 . 2]" 1
56 1 15 GLY HA2 1 16 ALA H . . 3.450 3.123 2.629 3.478 0.028 14 0 "[ . 1 . 2]" 1
57 1 15 GLY HA3 1 16 ALA H . . 4.000 3.487 3.204 3.644 . 0 0 "[ . 1 . 2]" 1
58 1 16 ALA CA 1 54 ASP HA . . 3.000 3.005 2.895 3.083 0.083 16 0 "[ . 1 . 2]" 1
59 1 16 ALA H 1 16 ALA HA . . 3.020 2.915 2.863 2.942 . 0 0 "[ . 1 . 2]" 1
60 1 16 ALA HA 1 17 VAL H . . 2.520 2.462 2.372 2.600 0.080 16 0 "[ . 1 . 2]" 1
61 1 16 ALA HA 1 54 ASP HA . . 2.100 2.034 1.975 2.135 0.035 7 0 "[ . 1 . 2]" 1
62 1 16 ALA MB 1 17 VAL H . . 4.330 2.555 2.283 2.796 . 0 0 "[ . 1 . 2]" 1
63 1 16 ALA MB 1 53 ILE H . . 6.000 3.553 2.978 4.353 . 0 0 "[ . 1 . 2]" 1
64 1 16 ALA MB 1 54 ASP HA . . 4.000 2.753 2.250 3.125 . 0 0 "[ . 1 . 2]" 1
65 1 17 VAL H 1 17 VAL HB . . 4.050 2.928 2.397 3.867 . 0 0 "[ . 1 . 2]" 1
66 1 17 VAL H 1 53 ILE H . . 3.790 2.714 2.142 3.562 . 0 0 "[ . 1 . 2]" 1
67 1 17 VAL H 1 53 ILE O . . 2.000 1.807 1.682 2.013 0.013 8 0 "[ . 1 . 2]" 1
68 1 17 VAL H 1 54 ASP HA . . 3.500 3.019 2.324 3.507 0.007 7 0 "[ . 1 . 2]" 1
69 1 17 VAL HA 1 18 SER H . . 2.750 2.609 2.384 2.792 0.042 11 0 "[ . 1 . 2]" 1
70 1 17 VAL HB 1 18 SER H . . 4.500 3.299 1.974 4.113 . 0 0 "[ . 1 . 2]" 1
71 1 17 VAL MG1 1 18 SER H . . 5.500 2.443 1.796 3.792 . 0 0 "[ . 1 . 2]" 1
72 1 17 VAL MG2 1 18 SER H . . 6.000 3.017 1.863 4.050 . 0 0 "[ . 1 . 2]" 1
73 1 17 VAL N 1 53 ILE O . . 3.000 2.692 2.548 2.824 . 0 0 "[ . 1 . 2]" 1
74 1 17 VAL O 1 53 ILE H . . 2.000 1.898 1.742 2.040 0.040 7 0 "[ . 1 . 2]" 1
75 1 17 VAL O 1 53 ILE N . . 3.000 2.804 2.570 3.004 0.004 6 0 "[ . 1 . 2]" 1
76 1 18 SER CA 1 52 GLU HA . . 3.000 3.055 3.006 3.103 0.103 18 0 "[ . 1 . 2]" 1
77 1 18 SER H 1 21 GLU H . . 5.500 3.170 2.997 3.397 . 0 0 "[ . 1 . 2]" 1
78 1 18 SER HA 1 19 TYR H . . 4.000 2.621 2.494 2.790 . 0 0 "[ . 1 . 2]" 1
79 1 18 SER HA 1 20 GLU H . . 4.580 4.581 4.254 4.644 0.064 14 0 "[ . 1 . 2]" 1
80 1 18 SER HA 1 21 GLU H . . 5.500 4.478 4.291 4.726 . 0 0 "[ . 1 . 2]" 1
81 1 18 SER HA 1 52 GLU HA . . 2.100 2.003 1.975 2.114 0.014 20 0 "[ . 1 . 2]" 1
82 1 18 SER HA 1 53 ILE H . . 4.000 3.213 2.664 3.864 . 0 0 "[ . 1 . 2]" 1
83 1 18 SER HB3 1 19 TYR H . . 4.000 3.855 3.651 4.009 0.009 19 0 "[ . 1 . 2]" 1
84 1 18 SER HB3 1 20 GLU H . . 5.500 4.489 4.289 4.649 . 0 0 "[ . 1 . 2]" 1
85 1 18 SER OG 1 21 GLU H . . 2.100 2.163 2.050 2.239 0.139 17 0 "[ . 1 . 2]" 1
86 1 19 TYR H 1 20 GLU H . . 3.240 2.769 2.507 2.980 . 0 0 "[ . 1 . 2]" 1
87 1 19 TYR HA 1 20 GLU H . . 4.500 3.610 3.576 3.630 . 0 0 "[ . 1 . 2]" 1
88 1 19 TYR HA 1 22 VAL H . . 3.920 3.584 3.388 3.769 . 0 0 "[ . 1 . 2]" 1
89 1 19 TYR HB3 1 20 GLU H . . 3.950 3.314 2.503 3.883 . 0 0 "[ . 1 . 2]" 1
90 1 19 TYR O 1 23 LYS H . . 2.000 2.048 1.953 2.111 0.111 14 0 "[ . 1 . 2]" 1
91 1 19 TYR O 1 23 LYS N . . 3.000 3.000 2.911 3.038 0.038 7 0 "[ . 1 . 2]" 1
92 1 20 GLU H 1 20 GLU HA . . 2.960 2.818 2.781 2.833 . 0 0 "[ . 1 . 2]" 1
93 1 20 GLU H 1 21 GLU H . . 3.110 2.515 2.439 2.673 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLU H 1 22 VAL H . . 5.500 4.044 3.733 4.337 . 0 0 "[ . 1 . 2]" 1
95 1 20 GLU HA 1 21 GLU H . . 4.110 3.582 3.545 3.619 . 0 0 "[ . 1 . 2]" 1
96 1 20 GLU HA 1 23 LYS H . . 3.760 3.521 3.317 3.712 . 0 0 "[ . 1 . 2]" 1
97 1 20 GLU HA 1 24 ALA H . . 4.500 3.993 3.703 4.204 . 0 0 "[ . 1 . 2]" 1
98 1 20 GLU O 1 24 ALA H . . 2.000 1.998 1.864 2.070 0.070 5 0 "[ . 1 . 2]" 1
99 1 20 GLU O 1 24 ALA N . . 3.000 2.834 2.695 2.962 . 0 0 "[ . 1 . 2]" 1
100 1 21 GLU H 1 22 VAL H . . 3.020 2.594 2.530 2.695 . 0 0 "[ . 1 . 2]" 1
101 1 21 GLU HA 1 22 VAL H . . 4.070 3.596 3.544 3.634 . 0 0 "[ . 1 . 2]" 1
102 1 21 GLU HA 1 24 ALA MB . . 4.500 2.322 2.058 2.832 . 0 0 "[ . 1 . 2]" 1
103 1 21 GLU O 1 25 PHE H . . 2.000 1.915 1.779 2.037 0.037 9 0 "[ . 1 . 2]" 1
104 1 21 GLU O 1 25 PHE N . . 3.000 2.798 2.659 3.006 0.006 14 0 "[ . 1 . 2]" 1
105 1 22 VAL H 1 22 VAL HA . . 2.930 2.810 2.775 2.845 . 0 0 "[ . 1 . 2]" 1
106 1 22 VAL H 1 22 VAL HB . . 2.490 2.280 2.042 2.509 0.019 5 0 "[ . 1 . 2]" 1
107 1 22 VAL H 1 22 VAL MG1 . . 4.500 2.664 1.907 3.692 . 0 0 "[ . 1 . 2]" 1
108 1 22 VAL H 1 22 VAL MG2 . . 4.700 3.287 2.286 3.701 . 0 0 "[ . 1 . 2]" 1
109 1 22 VAL H 1 23 LYS H . . 2.860 2.678 2.535 2.852 . 0 0 "[ . 1 . 2]" 1
110 1 22 VAL HA 1 23 LYS H . . 4.000 3.618 3.581 3.640 . 0 0 "[ . 1 . 2]" 1
111 1 22 VAL HA 1 38 LEU QD . . 5.500 3.833 3.607 4.160 . 0 0 "[ . 1 . 2]" 1
112 1 22 VAL HA 1 53 ILE MD . . 6.000 4.687 4.281 4.943 . 0 0 "[ . 1 . 2]" 1
113 1 22 VAL HB 1 23 LYS H . . 4.000 3.374 2.307 4.016 0.016 5 0 "[ . 1 . 2]" 1
114 1 22 VAL HB 1 38 LEU QD . . 5.000 3.232 2.059 3.747 . 0 0 "[ . 1 . 2]" 1
115 1 22 VAL QG 1 42 PHE HA . . 6.000 4.402 4.283 4.502 . 0 0 "[ . 1 . 2]" 1
116 1 22 VAL QG 1 61 PHE QE . . 4.000 2.551 1.982 2.920 . 0 0 "[ . 1 . 2]" 1
117 1 22 VAL MG1 1 23 LYS H . . 3.770 2.278 1.796 3.123 . 0 0 "[ . 1 . 2]" 1
118 1 22 VAL MG1 1 24 ALA H . . 6.000 4.254 3.890 4.778 . 0 0 "[ . 1 . 2]" 1
119 1 22 VAL MG2 1 23 LYS H . . 5.500 3.860 3.550 4.161 . 0 0 "[ . 1 . 2]" 1
120 1 22 VAL MG2 1 24 ALA H . . 6.500 5.177 4.952 5.406 . 0 0 "[ . 1 . 2]" 1
121 1 22 VAL O 1 26 VAL H . . 2.000 1.985 1.847 2.078 0.078 13 0 "[ . 1 . 2]" 1
122 1 22 VAL O 1 26 VAL N . . 3.000 2.966 2.825 3.033 0.033 5 0 "[ . 1 . 2]" 1
123 1 23 LYS HA 1 24 ALA H . . 4.000 3.569 3.540 3.612 . 0 0 "[ . 1 . 2]" 1
124 1 23 LYS HA 1 26 VAL HB . . 4.500 3.935 2.379 4.623 0.123 1 0 "[ . 1 . 2]" 1
125 1 23 LYS HA 1 27 SER H . . 4.500 3.753 3.197 4.085 . 0 0 "[ . 1 . 2]" 1
126 1 23 LYS O 1 27 SER H . . 2.000 1.903 1.782 2.037 0.037 5 0 "[ . 1 . 2]" 1
127 1 23 LYS O 1 27 SER N . . 3.000 2.804 2.649 2.989 . 0 0 "[ . 1 . 2]" 1
128 1 24 ALA H 1 25 PHE H . . 3.500 2.581 2.448 2.781 . 0 0 "[ . 1 . 2]" 1
129 1 24 ALA HA 1 25 PHE H . . 4.000 3.598 3.546 3.636 . 0 0 "[ . 1 . 2]" 1
130 1 24 ALA MB 1 25 PHE H . . 4.500 2.655 2.399 2.910 . 0 0 "[ . 1 . 2]" 1
131 1 25 PHE H 1 25 PHE HB3 . . 4.000 2.581 2.439 2.824 . 0 0 "[ . 1 . 2]" 1
132 1 25 PHE H 1 26 VAL H . . 3.050 2.831 2.568 3.062 0.012 14 0 "[ . 1 . 2]" 1
133 1 25 PHE HA 1 26 VAL H . . 4.380 3.638 3.620 3.644 . 0 0 "[ . 1 . 2]" 1
134 1 25 PHE HA 1 28 LYS H . . 5.000 3.621 3.246 3.874 . 0 0 "[ . 1 . 2]" 1
135 1 25 PHE HB3 1 26 VAL H . . 3.480 2.156 2.017 2.496 . 0 0 "[ . 1 . 2]" 1
136 1 26 VAL H 1 26 VAL HB . . 4.000 2.477 1.975 3.523 . 0 0 "[ . 1 . 2]" 1
137 1 26 VAL H 1 27 SER H . . 3.210 2.687 2.493 2.851 . 0 0 "[ . 1 . 2]" 1
138 1 26 VAL HA 1 27 SER H . . 5.340 3.599 3.555 3.639 . 0 0 "[ . 1 . 2]" 1
139 1 26 VAL HB 1 27 SER H . . 4.000 3.697 2.536 4.099 0.099 2 0 "[ . 1 . 2]" 1
140 1 26 VAL MG1 1 27 SER H . . 5.410 2.378 1.864 3.984 . 0 0 "[ . 1 . 2]" 1
141 1 26 VAL MG2 1 27 SER H . . 5.500 3.585 1.796 4.225 . 0 0 "[ . 1 . 2]" 1
142 1 26 VAL MG2 1 30 ARG H . . 6.000 4.464 3.550 5.417 . 0 0 "[ . 1 . 2]" 1
143 1 27 SER H 1 27 SER HB3 . . 4.000 2.705 2.024 3.554 . 0 0 "[ . 1 . 2]" 1
144 1 27 SER H 1 28 LYS H . . 3.020 2.816 2.610 2.998 . 0 0 "[ . 1 . 2]" 1
145 1 27 SER HA 1 28 LYS H . . 3.950 3.590 3.544 3.629 . 0 0 "[ . 1 . 2]" 1
146 1 27 SER HA 1 29 LYS H . . 4.790 3.723 3.417 4.196 . 0 0 "[ . 1 . 2]" 1
147 1 27 SER HA 1 30 ARG H . . 4.000 3.428 2.808 3.935 . 0 0 "[ . 1 . 2]" 1
148 1 28 LYS H 1 29 LYS H . . 3.210 2.834 2.610 2.935 . 0 0 "[ . 1 . 2]" 1
149 1 28 LYS HA 1 29 LYS H . . 5.500 3.556 3.529 3.604 . 0 0 "[ . 1 . 2]" 1
150 1 29 LYS H 1 29 LYS HA . . 3.080 2.877 2.844 2.940 . 0 0 "[ . 1 . 2]" 1
151 1 29 LYS H 1 30 ARG H . . 3.120 2.840 2.286 3.239 0.119 13 0 "[ . 1 . 2]" 1
152 1 29 LYS HA 1 30 ARG H . . 3.920 3.500 3.004 3.637 . 0 0 "[ . 1 . 2]" 1
153 1 30 ARG H 1 30 ARG HB3 . . 4.000 3.840 3.711 3.922 . 0 0 "[ . 1 . 2]" 1
154 1 30 ARG H 1 30 ARG HG3 . . 4.850 3.784 2.249 4.855 0.005 13 0 "[ . 1 . 2]" 1
155 1 30 ARG H 1 31 ALA H . . 5.500 4.237 2.437 4.376 . 0 0 "[ . 1 . 2]" 1
156 1 30 ARG H 1 32 ILE H . . 5.000 4.996 4.841 5.165 0.165 12 0 "[ . 1 . 2]" 1
157 1 30 ARG HA 1 31 ALA H . . 4.000 2.868 2.757 3.650 . 0 0 "[ . 1 . 2]" 1
158 1 30 ARG HB3 1 31 ALA H . . 2.710 2.006 1.917 2.647 . 0 0 "[ . 1 . 2]" 1
159 1 31 ALA H 1 31 ALA HA . . 3.050 2.896 2.757 2.927 . 0 0 "[ . 1 . 2]" 1
160 1 31 ALA H 1 32 ILE H . . 5.550 3.178 2.470 4.420 . 0 0 "[ . 1 . 2]" 1
161 1 31 ALA H 1 33 LYS H . . 5.050 5.056 4.922 5.201 0.151 13 0 "[ . 1 . 2]" 1
162 1 31 ALA HA 1 32 ILE H . . 2.650 2.543 2.188 2.749 0.099 7 0 "[ . 1 . 2]" 1
163 1 32 ILE H 1 32 ILE MD . . 5.260 3.732 2.602 4.285 . 0 0 "[ . 1 . 2]" 1
164 1 32 ILE H 1 33 LYS H . . 5.500 3.230 2.170 4.235 . 0 0 "[ . 1 . 2]" 1
165 1 32 ILE H 1 34 ASN H . . 5.000 3.676 2.881 5.241 0.241 19 0 "[ . 1 . 2]" 1
166 1 32 ILE HA 1 33 LYS H . . 3.530 2.900 2.245 3.635 0.105 3 0 "[ . 1 . 2]" 1
167 1 32 ILE MG 1 33 LYS H . . 6.220 3.500 1.792 4.374 . 0 0 "[ . 1 . 2]" 1
168 1 33 LYS H 1 33 LYS HG3 . . 5.000 3.813 2.863 4.989 . 0 0 "[ . 1 . 2]" 1
169 1 33 LYS H 1 34 ASN H . . 4.040 2.479 1.803 2.872 . 0 0 "[ . 1 . 2]" 1
170 1 34 ASN H 1 34 ASN HB3 . . 2.800 2.705 2.323 2.897 0.097 12 0 "[ . 1 . 2]" 1
171 1 34 ASN HA 1 35 GLU H . . 4.000 3.578 3.550 3.650 . 0 0 "[ . 1 . 2]" 1
172 1 34 ASN HA 1 37 LEU H . . 4.000 3.539 3.106 3.935 . 0 0 "[ . 1 . 2]" 1
173 1 34 ASN O 1 38 LEU H . . 2.000 1.767 1.674 1.835 . 0 0 "[ . 1 . 2]" 1
174 1 34 ASN O 1 38 LEU N . . 3.000 2.638 2.534 2.743 . 0 0 "[ . 1 . 2]" 1
175 1 35 GLU H 1 36 GLN H . . 5.500 2.916 2.668 3.051 . 0 0 "[ . 1 . 2]" 1
176 1 35 GLU HA 1 36 GLN H . . 4.000 3.606 3.543 3.645 . 0 0 "[ . 1 . 2]" 1
177 1 35 GLU O 1 39 GLN H . . 2.000 2.011 1.879 2.106 0.106 9 0 "[ . 1 . 2]" 1
178 1 35 GLU O 1 39 GLN N . . 3.000 2.885 2.641 2.975 . 0 0 "[ . 1 . 2]" 1
179 1 36 GLN H 1 36 GLN HB3 . . 2.770 2.634 2.469 2.755 . 0 0 "[ . 1 . 2]" 1
180 1 36 GLN H 1 36 GLN HG3 . . 4.580 4.390 4.266 4.532 . 0 0 "[ . 1 . 2]" 1
181 1 36 GLN H 1 37 LEU H . . 3.240 2.815 2.694 3.025 . 0 0 "[ . 1 . 2]" 1
182 1 36 GLN HB3 1 37 LEU H . . 4.000 2.212 2.161 2.269 . 0 0 "[ . 1 . 2]" 1
183 1 36 GLN HB3 1 38 LEU H . . 5.000 4.975 4.832 5.078 0.078 9 0 "[ . 1 . 2]" 1
184 1 36 GLN O 1 40 LEU H . . 2.000 1.973 1.791 2.077 0.077 20 0 "[ . 1 . 2]" 1
185 1 36 GLN O 1 40 LEU N . . 3.000 2.858 2.630 3.041 0.041 19 0 "[ . 1 . 2]" 1
186 1 37 LEU H 1 37 LEU HB3 . . 4.000 3.133 2.463 3.547 . 0 0 "[ . 1 . 2]" 1
187 1 37 LEU H 1 37 LEU HG . . 4.500 4.008 2.149 4.438 . 0 0 "[ . 1 . 2]" 1
188 1 37 LEU H 1 38 LEU H . . 3.550 2.942 2.722 3.135 . 0 0 "[ . 1 . 2]" 1
189 1 37 LEU HA 1 38 LEU H . . 3.910 3.636 3.614 3.640 . 0 0 "[ . 1 . 2]" 1
190 1 37 LEU HB3 1 38 LEU H . . 4.580 2.673 2.335 3.553 . 0 0 "[ . 1 . 2]" 1
191 1 37 LEU HG 1 38 LEU H . . 5.570 4.719 4.157 5.038 . 0 0 "[ . 1 . 2]" 1
192 1 37 LEU O 1 41 ILE H . . 2.000 1.963 1.754 2.069 0.069 17 0 "[ . 1 . 2]" 1
193 1 37 LEU O 1 41 ILE N . . 3.000 2.902 2.692 3.031 0.031 17 0 "[ . 1 . 2]" 1
194 1 38 LEU H 1 38 LEU HB3 . . 4.000 2.550 1.998 2.971 . 0 0 "[ . 1 . 2]" 1
195 1 38 LEU H 1 38 LEU MD1 . . 5.500 4.051 3.595 4.246 . 0 0 "[ . 1 . 2]" 1
196 1 38 LEU H 1 39 GLN H . . 3.210 2.903 2.643 3.114 . 0 0 "[ . 1 . 2]" 1
197 1 38 LEU HA 1 39 GLN H . . 4.000 3.613 3.544 3.640 . 0 0 "[ . 1 . 2]" 1
198 1 38 LEU HA 1 41 ILE H . . 4.000 3.535 3.141 3.738 . 0 0 "[ . 1 . 2]" 1
199 1 38 LEU HA 1 41 ILE HB . . 4.500 3.379 2.297 4.242 . 0 0 "[ . 1 . 2]" 1
200 1 38 LEU HB3 1 39 GLN H . . 4.000 2.626 2.258 3.189 . 0 0 "[ . 1 . 2]" 1
201 1 38 LEU MD1 1 39 GLN H . . 6.000 4.180 2.592 5.166 . 0 0 "[ . 1 . 2]" 1
202 1 38 LEU MD2 1 39 GLN H . . 5.440 3.720 2.081 4.652 . 0 0 "[ . 1 . 2]" 1
203 1 38 LEU O 1 42 PHE H . . 2.000 1.730 1.606 1.798 . 0 0 "[ . 1 . 2]" 1
204 1 38 LEU O 1 42 PHE N . . 3.000 2.662 2.559 2.758 . 0 0 "[ . 1 . 2]" 1
205 1 39 GLN H 1 39 GLN HB3 . . 4.000 2.767 2.372 3.524 . 0 0 "[ . 1 . 2]" 1
206 1 39 GLN H 1 40 LEU H . . 3.240 2.814 2.654 3.101 . 0 0 "[ . 1 . 2]" 1
207 1 39 GLN HA 1 40 LEU H . . 3.860 3.601 3.547 3.640 . 0 0 "[ . 1 . 2]" 1
208 1 39 GLN HA 1 42 PHE H . . 4.000 3.745 2.997 4.059 0.059 17 0 "[ . 1 . 2]" 1
209 1 39 GLN HB3 1 40 LEU H . . 4.000 2.787 2.357 3.444 . 0 0 "[ . 1 . 2]" 1
210 1 39 GLN O 1 43 LYS H . . 2.000 1.929 1.748 2.060 0.060 15 0 "[ . 1 . 2]" 1
211 1 39 GLN O 1 43 LYS N . . 3.000 2.898 2.715 3.037 0.037 14 0 "[ . 1 . 2]" 1
212 1 40 LEU H 1 40 LEU HB3 . . 3.430 2.977 2.491 3.364 . 0 0 "[ . 1 . 2]" 1
213 1 40 LEU H 1 40 LEU MD1 . . 5.500 3.699 2.707 4.245 . 0 0 "[ . 1 . 2]" 1
214 1 40 LEU H 1 40 LEU MD2 . . 5.500 3.971 2.354 4.425 . 0 0 "[ . 1 . 2]" 1
215 1 40 LEU H 1 40 LEU HG . . 4.500 4.203 3.676 4.436 . 0 0 "[ . 1 . 2]" 1
216 1 40 LEU H 1 41 ILE H . . 3.330 2.843 2.687 3.060 . 0 0 "[ . 1 . 2]" 1
217 1 40 LEU HA 1 41 ILE H . . 4.000 3.636 3.621 3.641 . 0 0 "[ . 1 . 2]" 1
218 1 40 LEU HB3 1 41 ILE H . . 4.500 2.487 2.276 2.743 . 0 0 "[ . 1 . 2]" 1
219 1 40 LEU O 1 44 SER H . . 2.000 1.951 1.761 2.061 0.061 8 0 "[ . 1 . 2]" 1
220 1 40 LEU O 1 44 SER N . . 3.000 2.877 2.705 3.015 0.015 20 0 "[ . 1 . 2]" 1
221 1 41 ILE H 1 41 ILE HB . . 2.550 2.388 2.041 2.557 0.007 3 0 "[ . 1 . 2]" 1
222 1 41 ILE H 1 41 ILE MD . . 5.250 3.513 2.251 4.346 . 0 0 "[ . 1 . 2]" 1
223 1 41 ILE H 1 42 PHE H . . 3.360 2.898 2.467 3.145 . 0 0 "[ . 1 . 2]" 1
224 1 41 ILE HB 1 42 PHE H . . 4.000 3.142 2.308 3.967 . 0 0 "[ . 1 . 2]" 1
225 1 41 ILE MD 1 42 PHE H . . 5.260 4.169 3.514 4.388 . 0 0 "[ . 1 . 2]" 1
226 1 41 ILE MG 1 42 PHE H . . 4.360 2.403 1.764 3.244 . 0 0 "[ . 1 . 2]" 1
227 1 41 ILE O 1 45 ILE H . . 2.000 1.808 1.734 2.008 0.008 20 0 "[ . 1 . 2]" 1
228 1 41 ILE O 1 45 ILE N . . 3.000 2.726 2.663 2.881 . 0 0 "[ . 1 . 2]" 1
229 1 42 PHE H 1 42 PHE HB3 . . 2.680 2.615 2.417 2.716 0.036 8 0 "[ . 1 . 2]" 1
230 1 42 PHE H 1 43 LYS H . . 5.340 3.093 2.885 3.185 . 0 0 "[ . 1 . 2]" 1
231 1 42 PHE HA 1 45 ILE HB . . 4.500 3.264 2.225 4.607 0.107 8 0 "[ . 1 . 2]" 1
232 1 42 PHE HB3 1 43 LYS H . . 3.210 2.084 2.008 2.275 . 0 0 "[ . 1 . 2]" 1
233 1 43 LYS H 1 43 LYS HB3 . . 4.000 2.881 2.045 3.529 . 0 0 "[ . 1 . 2]" 1
234 1 43 LYS H 1 44 SER H . . 3.050 2.808 2.512 3.007 . 0 0 "[ . 1 . 2]" 1
235 1 43 LYS HA 1 46 ASP H . . 4.820 3.556 3.147 4.054 . 0 0 "[ . 1 . 2]" 1
236 1 43 LYS HB3 1 44 SER H . . 5.500 2.998 2.499 3.725 . 0 0 "[ . 1 . 2]" 1
237 1 44 SER H 1 45 ILE H . . 3.000 2.814 2.554 3.131 0.131 14 0 "[ . 1 . 2]" 1
238 1 44 SER HA 1 45 ILE H . . 3.520 3.623 3.549 3.648 0.128 17 0 "[ . 1 . 2]" 1
239 1 45 ILE H 1 45 ILE HA . . 3.140 2.819 2.747 2.855 . 0 0 "[ . 1 . 2]" 1
240 1 45 ILE H 1 45 ILE HB . . 4.000 2.416 2.068 3.529 . 0 0 "[ . 1 . 2]" 1
241 1 45 ILE H 1 46 ASP H . . 4.000 2.696 2.576 2.971 . 0 0 "[ . 1 . 2]" 1
242 1 45 ILE HA 1 46 ASP H . . 5.500 3.624 3.560 3.639 . 0 0 "[ . 1 . 2]" 1
243 1 45 ILE HB 1 46 ASP H . . 4.000 2.918 2.317 3.975 . 0 0 "[ . 1 . 2]" 1
244 1 45 ILE MG 1 46 ASP H . . 5.810 2.854 1.909 4.030 . 0 0 "[ . 1 . 2]" 1
245 1 46 ASP CG 1 51 GLY H . . 3.000 2.893 2.639 3.064 0.064 14 0 "[ . 1 . 2]" 1
246 1 46 ASP H 1 47 ALA H . . 5.500 4.262 4.085 4.390 . 0 0 "[ . 1 . 2]" 1
247 1 46 ASP HA 1 47 ALA H . . 2.550 2.304 2.262 2.366 . 0 0 "[ . 1 . 2]" 1
248 1 46 ASP HA 1 48 ASP H . . 4.140 3.572 3.129 4.027 . 0 0 "[ . 1 . 2]" 1
249 1 47 ALA H 1 47 ALA MB . . 3.430 2.176 1.996 2.503 . 0 0 "[ . 1 . 2]" 1
250 1 47 ALA H 1 48 ASP H . . 2.550 2.243 1.982 2.504 . 0 0 "[ . 1 . 2]" 1
251 1 47 ALA HA 1 48 ASP H . . 4.000 3.527 3.204 3.635 . 0 0 "[ . 1 . 2]" 1
252 1 47 ALA MB 1 48 ASP H . . 4.000 2.848 2.351 3.499 . 0 0 "[ . 1 . 2]" 1
253 1 48 ASP H 1 48 ASP HA . . 3.020 2.810 2.727 2.869 . 0 0 "[ . 1 . 2]" 1
254 1 48 ASP H 1 48 ASP HB3 . . 3.020 2.862 2.218 3.050 0.030 20 0 "[ . 1 . 2]" 1
255 1 48 ASP HA 1 49 GLY H . . 4.000 3.537 2.917 3.653 . 0 0 "[ . 1 . 2]" 1
256 1 49 GLY H 1 51 GLY H . . 4.570 3.836 3.401 4.632 0.062 20 0 "[ . 1 . 2]" 1
257 1 49 GLY QA 1 50 ASN H . . 3.900 2.860 2.673 2.968 . 0 0 "[ . 1 . 2]" 1
258 1 49 GLY QA 1 51 GLY H . . 5.040 3.224 2.831 3.952 . 0 0 "[ . 1 . 2]" 1
259 1 50 ASN H 1 50 ASN HA . . 3.080 2.824 2.763 2.899 . 0 0 "[ . 1 . 2]" 1
260 1 50 ASN H 1 50 ASN HB3 . . 2.900 2.761 2.295 2.888 . 0 0 "[ . 1 . 2]" 1
261 1 50 ASN H 1 51 GLY H . . 2.830 2.414 2.067 2.623 . 0 0 "[ . 1 . 2]" 1
262 1 50 ASN HB3 1 51 GLY H . . 5.220 3.999 2.506 4.487 . 0 0 "[ . 1 . 2]" 1
263 1 51 GLY H 1 51 GLY HA2 . . 2.860 2.279 2.247 2.367 . 0 0 "[ . 1 . 2]" 1
264 1 51 GLY H 1 51 GLY HA3 . . 2.800 2.865 2.725 2.947 0.147 10 0 "[ . 1 . 2]" 1
265 1 51 GLY H 1 52 GLU H . . 3.080 2.628 2.259 2.890 . 0 0 "[ . 1 . 2]" 1
266 1 51 GLY HA2 1 52 GLU H . . 4.000 3.290 3.017 3.544 . 0 0 "[ . 1 . 2]" 1
267 1 51 GLY HA3 1 52 GLU H . . 3.520 3.377 3.097 3.577 0.057 14 0 "[ . 1 . 2]" 1
268 1 52 GLU H 1 52 GLU HA . . 3.080 2.909 2.885 2.919 . 0 0 "[ . 1 . 2]" 1
269 1 52 GLU HA 1 53 ILE H . . 4.000 2.565 2.206 2.763 . 0 0 "[ . 1 . 2]" 1
270 1 52 GLU HB3 1 53 ILE H . . 5.000 2.383 1.940 3.625 . 0 0 "[ . 1 . 2]" 1
271 1 53 ILE H 1 53 ILE HA . . 2.860 2.901 2.860 2.938 0.078 17 0 "[ . 1 . 2]" 1
272 1 53 ILE H 1 53 ILE HB . . 3.650 3.457 2.636 3.798 0.148 18 0 "[ . 1 . 2]" 1
273 1 53 ILE HA 1 54 ASP H . . 3.490 2.596 2.177 2.761 . 0 0 "[ . 1 . 2]" 1
274 1 53 ILE MG 1 54 ASP H . . 4.000 2.895 1.856 3.316 . 0 0 "[ . 1 . 2]" 1
275 1 54 ASP H 1 54 ASP HB3 . . 3.240 3.159 2.813 3.302 0.062 5 0 "[ . 1 . 2]" 1
276 1 54 ASP HA 1 55 GLN H . . 3.500 2.770 2.690 2.975 . 0 0 "[ . 1 . 2]" 1
277 1 54 ASP HB3 1 55 GLN H . . 4.000 3.514 3.410 3.725 . 0 0 "[ . 1 . 2]" 1
278 1 54 ASP OD1 1 57 GLU H . . 2.100 1.717 1.484 2.968 0.868 2 1 "[ + . 1 . 2]" 1
279 1 55 GLN H 1 55 GLN HB3 . . 3.860 3.091 2.365 3.569 . 0 0 "[ . 1 . 2]" 1
280 1 55 GLN H 1 56 ASN H . . 3.210 2.802 2.634 2.989 . 0 0 "[ . 1 . 2]" 1
281 1 55 GLN H 1 57 GLU H . . 5.500 4.525 4.273 4.739 . 0 0 "[ . 1 . 2]" 1
282 1 55 GLN O 1 59 ALA H . . 2.000 1.888 1.629 2.015 0.015 5 0 "[ . 1 . 2]" 1
283 1 55 GLN O 1 59 ALA N . . 3.000 2.800 2.525 2.953 . 0 0 "[ . 1 . 2]" 1
284 1 56 ASN H 1 56 ASN HA . . 2.830 2.758 2.697 2.797 . 0 0 "[ . 1 . 2]" 1
285 1 56 ASN H 1 56 ASN HB3 . . 3.680 3.088 2.358 3.535 . 0 0 "[ . 1 . 2]" 1
286 1 56 ASN H 1 57 GLU H . . 3.010 2.829 2.726 2.983 . 0 0 "[ . 1 . 2]" 1
287 1 56 ASN HA 1 57 GLU H . . 4.000 3.655 3.653 3.656 . 0 0 "[ . 1 . 2]" 1
288 1 56 ASN HA 1 59 ALA MB . . 4.500 2.579 2.332 3.055 . 0 0 "[ . 1 . 2]" 1
289 1 56 ASN HB3 1 57 GLU H . . 4.000 2.437 2.090 3.162 . 0 0 "[ . 1 . 2]" 1
290 1 56 ASN O 1 60 LYS H . . 2.000 2.019 1.976 2.080 0.080 18 0 "[ . 1 . 2]" 1
291 1 56 ASN O 1 60 LYS N . . 3.000 2.971 2.901 3.028 0.028 16 0 "[ . 1 . 2]" 1
292 1 57 GLU H 1 57 GLU HA . . 3.020 2.709 2.653 2.752 . 0 0 "[ . 1 . 2]" 1
293 1 57 GLU H 1 58 PHE H . . 3.450 2.810 2.689 2.966 . 0 0 "[ . 1 . 2]" 1
294 1 57 GLU HA 1 58 PHE H . . 4.000 3.573 3.544 3.601 . 0 0 "[ . 1 . 2]" 1
295 1 57 GLU O 1 61 PHE H . . 2.000 1.911 1.821 2.021 0.021 17 0 "[ . 1 . 2]" 1
296 1 57 GLU O 1 61 PHE N . . 3.000 2.774 2.664 2.976 . 0 0 "[ . 1 . 2]" 1
297 1 58 PHE H 1 58 PHE HB3 . . 4.000 2.134 2.001 2.465 . 0 0 "[ . 1 . 2]" 1
298 1 58 PHE H 1 59 ALA H . . 3.270 2.622 2.512 2.827 . 0 0 "[ . 1 . 2]" 1
299 1 58 PHE HA 1 59 ALA H . . 4.000 3.614 3.589 3.641 . 0 0 "[ . 1 . 2]" 1
300 1 58 PHE O 1 62 TYR H . . 2.000 1.901 1.778 2.048 0.048 14 0 "[ . 1 . 2]" 1
301 1 58 PHE O 1 62 TYR N . . 3.000 2.814 2.697 2.996 . 0 0 "[ . 1 . 2]" 1
302 1 59 ALA H 1 59 ALA MB . . 3.430 2.018 1.932 2.163 . 0 0 "[ . 1 . 2]" 1
303 1 59 ALA H 1 60 LYS H . . 3.170 2.755 2.651 2.856 . 0 0 "[ . 1 . 2]" 1
304 1 59 ALA HA 1 62 TYR H . . 4.500 3.641 3.470 3.844 . 0 0 "[ . 1 . 2]" 1
305 1 59 ALA MB 1 60 LYS H . . 5.500 2.632 2.429 2.785 . 0 0 "[ . 1 . 2]" 1
306 1 59 ALA MB 1 62 TYR H . . 6.000 4.731 4.572 4.963 . 0 0 "[ . 1 . 2]" 1
307 1 60 LYS H 1 60 LYS HA . . 2.900 2.838 2.805 2.856 . 0 0 "[ . 1 . 2]" 1
308 1 60 LYS H 1 61 PHE H . . 3.320 2.524 2.415 2.717 . 0 0 "[ . 1 . 2]" 1
309 1 60 LYS HA 1 61 PHE H . . 4.000 3.582 3.541 3.639 . 0 0 "[ . 1 . 2]" 1
310 1 61 PHE H 1 62 TYR H . . 3.500 2.783 2.635 2.975 . 0 0 "[ . 1 . 2]" 1
311 1 63 GLY H 1 64 SER H . . 3.500 3.207 2.593 3.524 0.024 14 0 "[ . 1 . 2]" 1
312 1 63 GLY HA2 1 64 SER H . . 4.000 2.951 2.221 3.642 . 0 0 "[ . 1 . 2]" 1
313 1 63 GLY HA3 1 65 ILE H . . 4.500 4.392 4.085 4.521 0.021 14 0 "[ . 1 . 2]" 1
314 1 64 SER H 1 64 SER HB3 . . 4.000 3.282 2.570 3.760 . 0 0 "[ . 1 . 2]" 1
315 1 64 SER HA 1 65 ILE H . . 4.000 2.840 2.416 3.646 . 0 0 "[ . 1 . 2]" 1
316 1 65 ILE H 1 65 ILE HB . . 4.000 3.211 2.205 3.769 . 0 0 "[ . 1 . 2]" 1
317 1 65 ILE H 1 66 GLN H . . 3.110 2.722 1.925 3.101 . 0 0 "[ . 1 . 2]" 1
318 1 65 ILE HA 1 66 GLN H . . 4.000 3.124 2.408 3.638 . 0 0 "[ . 1 . 2]" 1
319 1 66 GLN HA 1 67 GLY H . . 5.000 2.796 2.207 3.644 . 0 0 "[ . 1 . 2]" 1
320 1 68 GLN H 1 68 GLN HG3 . . 4.500 3.801 2.291 4.516 0.016 18 0 "[ . 1 . 2]" 1
321 1 68 GLN HA 1 69 ASP H . . 4.010 2.571 2.216 3.637 . 0 0 "[ . 1 . 2]" 1
322 1 68 GLN HG3 1 69 ASP H . . 5.500 3.852 2.161 4.966 . 0 0 "[ . 1 . 2]" 1
323 1 69 ASP H 1 69 ASP HB3 . . 4.200 3.279 2.620 3.721 . 0 0 "[ . 1 . 2]" 1
324 1 69 ASP HA 1 70 LEU H . . 4.000 2.577 2.269 3.647 . 0 0 "[ . 1 . 2]" 1
325 1 69 ASP HB3 1 70 LEU H . . 4.970 3.125 2.206 4.608 . 0 0 "[ . 1 . 2]" 1
326 1 70 LEU H 1 70 LEU HB3 . . 4.030 3.306 2.557 3.775 . 0 0 "[ . 1 . 2]" 1
327 1 70 LEU H 1 70 LEU HG . . 5.200 4.121 2.043 5.207 0.007 9 0 "[ . 1 . 2]" 1
328 1 71 SER H 1 72 ASP H . . 4.000 2.650 2.444 2.972 . 0 0 "[ . 1 . 2]" 1
329 1 71 SER HA 1 72 ASP H . . 4.000 3.590 3.549 3.641 . 0 0 "[ . 1 . 2]" 1
330 1 71 SER O 1 75 ILE H . . 2.000 1.767 1.515 2.001 0.001 17 0 "[ . 1 . 2]" 1
331 1 71 SER O 1 75 ILE N . . 3.000 2.700 2.511 2.934 . 0 0 "[ . 1 . 2]" 1
332 1 72 ASP H 1 72 ASP HB3 . . 4.000 3.008 2.214 3.550 . 0 0 "[ . 1 . 2]" 1
333 1 72 ASP H 1 73 ASP H . . 3.500 2.781 2.599 2.865 . 0 0 "[ . 1 . 2]" 1
334 1 72 ASP HA 1 73 ASP H . . 3.500 3.566 3.558 3.603 0.103 14 0 "[ . 1 . 2]" 1
335 1 72 ASP HA 1 75 ILE HB . . 4.500 2.733 1.998 4.504 0.004 16 0 "[ . 1 . 2]" 1
336 1 73 ASP H 1 74 LYS H . . 3.500 2.601 2.418 2.833 . 0 0 "[ . 1 . 2]" 1
337 1 73 ASP HA 1 74 LYS H . . 3.500 3.616 3.557 3.653 0.153 13 0 "[ . 1 . 2]" 1
338 1 74 LYS H 1 74 LYS HB3 . . 4.000 3.101 2.217 3.570 . 0 0 "[ . 1 . 2]" 1
339 1 74 LYS H 1 75 ILE H . . 3.110 2.545 2.430 2.847 . 0 0 "[ . 1 . 2]" 1
340 1 74 LYS HA 1 75 ILE H . . 3.510 3.586 3.537 3.638 0.128 16 0 "[ . 1 . 2]" 1
341 1 74 LYS O 1 78 LYS H . . 2.000 1.939 1.785 2.009 0.009 13 0 "[ . 1 . 2]" 1
342 1 74 LYS O 1 78 LYS N . . 3.000 2.868 2.700 2.980 . 0 0 "[ . 1 . 2]" 1
343 1 75 ILE H 1 75 ILE HB . . 4.000 2.451 2.004 3.535 . 0 0 "[ . 1 . 2]" 1
344 1 75 ILE H 1 76 GLY H . . 3.200 2.663 2.552 2.819 . 0 0 "[ . 1 . 2]" 1
345 1 75 ILE HA 1 76 GLY H . . 3.500 3.570 3.535 3.633 0.133 13 0 "[ . 1 . 2]" 1
346 1 75 ILE HB 1 76 GLY H . . 4.010 3.207 2.522 4.023 0.013 14 0 "[ . 1 . 2]" 1
347 1 75 ILE O 1 79 VAL H . . 2.000 1.881 1.788 1.999 . 0 0 "[ . 1 . 2]" 1
348 1 75 ILE O 1 79 VAL N . . 3.000 2.806 2.716 2.919 . 0 0 "[ . 1 . 2]" 1
349 1 76 GLY H 1 77 LEU H . . 3.300 2.820 2.563 3.072 . 0 0 "[ . 1 . 2]" 1
350 1 76 GLY H 1 78 LYS H . . 5.500 3.952 3.680 4.444 . 0 0 "[ . 1 . 2]" 1
351 1 76 GLY QA 1 77 LEU H . . 3.500 2.639 2.595 2.811 . 0 0 "[ . 1 . 2]" 1
352 1 76 GLY QA 1 79 VAL HB . . 4.500 2.744 1.994 3.155 . 0 0 "[ . 1 . 2]" 1
353 1 76 GLY O 1 80 LEU H . . 2.000 1.971 1.865 2.012 0.012 1 0 "[ . 1 . 2]" 1
354 1 76 GLY O 1 80 LEU N . . 3.000 2.945 2.840 3.004 0.004 7 0 "[ . 1 . 2]" 1
355 1 77 LEU H 1 77 LEU HB3 . . 4.000 2.904 2.447 3.292 . 0 0 "[ . 1 . 2]" 1
356 1 77 LEU H 1 77 LEU MD1 . . 5.000 3.423 2.688 4.156 . 0 0 "[ . 1 . 2]" 1
357 1 77 LEU H 1 77 LEU MD2 . . 5.000 4.033 3.311 4.154 . 0 0 "[ . 1 . 2]" 1
358 1 77 LEU H 1 77 LEU HG . . 4.500 4.381 4.184 4.531 0.031 12 0 "[ . 1 . 2]" 1
359 1 77 LEU H 1 78 LYS H . . 3.110 2.703 2.570 2.898 . 0 0 "[ . 1 . 2]" 1
360 1 77 LEU HA 1 78 LYS H . . 3.510 3.582 3.542 3.638 0.128 11 0 "[ . 1 . 2]" 1
361 1 77 LEU HA 1 80 LEU H . . 4.000 3.469 3.282 3.702 . 0 0 "[ . 1 . 2]" 1
362 1 77 LEU HA 1 81 TYR H . . 5.500 3.904 3.804 4.066 . 0 0 "[ . 1 . 2]" 1
363 1 77 LEU HG 1 78 LYS H . . 5.500 4.917 4.462 5.278 . 0 0 "[ . 1 . 2]" 1
364 1 77 LEU HG 1 101 PHE HZ . . 6.000 5.988 5.921 6.007 0.007 10 0 "[ . 1 . 2]" 1
365 1 77 LEU O 1 81 TYR H . . 2.000 1.869 1.789 1.996 . 0 0 "[ . 1 . 2]" 1
366 1 77 LEU O 1 81 TYR N . . 3.000 2.850 2.755 2.983 . 0 0 "[ . 1 . 2]" 1
367 1 78 LYS H 1 79 VAL H . . 3.140 2.722 2.441 3.115 . 0 0 "[ . 1 . 2]" 1
368 1 78 LYS HA 1 79 VAL H . . 3.540 3.613 3.548 3.639 0.099 1 0 "[ . 1 . 2]" 1
369 1 78 LYS HA 1 81 TYR H . . 4.000 3.512 3.203 3.792 . 0 0 "[ . 1 . 2]" 1
370 1 78 LYS O 1 82 LYS H . . 2.000 1.962 1.820 2.017 0.017 15 0 "[ . 1 . 2]" 1
371 1 78 LYS O 1 82 LYS N . . 3.000 2.847 2.740 2.964 . 0 0 "[ . 1 . 2]" 1
372 1 79 VAL H 1 79 VAL HB . . 3.890 2.274 2.092 2.431 . 0 0 "[ . 1 . 2]" 1
373 1 79 VAL H 1 80 LEU H . . 3.050 2.835 2.621 3.027 . 0 0 "[ . 1 . 2]" 1
374 1 79 VAL HA 1 80 LEU H . . 3.550 3.627 3.592 3.641 0.091 20 0 "[ . 1 . 2]" 1
375 1 79 VAL HA 1 82 LYS H . . 4.000 3.437 3.104 3.745 . 0 0 "[ . 1 . 2]" 1
376 1 79 VAL HA 1 83 LEU H . . 5.500 4.187 3.939 4.361 . 0 0 "[ . 1 . 2]" 1
377 1 79 VAL HB 1 80 LEU H . . 3.020 2.557 2.313 2.925 . 0 0 "[ . 1 . 2]" 1
378 1 79 VAL MG1 1 80 LEU H . . 3.860 3.054 2.883 3.181 . 0 0 "[ . 1 . 2]" 1
379 1 79 VAL MG1 1 82 LYS H . . 6.000 4.530 4.195 4.895 . 0 0 "[ . 1 . 2]" 1
380 1 79 VAL O 1 83 LEU H . . 2.000 1.902 1.794 2.004 0.004 2 0 "[ . 1 . 2]" 1
381 1 79 VAL O 1 83 LEU N . . 3.000 2.764 2.693 2.955 . 0 0 "[ . 1 . 2]" 1
382 1 80 LEU H 1 80 LEU HB3 . . 4.000 3.302 3.162 3.465 . 0 0 "[ . 1 . 2]" 1
383 1 80 LEU H 1 80 LEU HG . . 5.000 3.755 3.026 4.132 . 0 0 "[ . 1 . 2]" 1
384 1 80 LEU H 1 81 TYR H . . 3.510 2.872 2.599 3.110 . 0 0 "[ . 1 . 2]" 1
385 1 80 LEU HA 1 81 TYR H . . 3.510 3.631 3.622 3.639 0.129 17 0 "[ . 1 . 2]" 1
386 1 80 LEU HB3 1 81 TYR H . . 3.300 2.847 2.670 3.106 . 0 0 "[ . 1 . 2]" 1
387 1 80 LEU HG 1 83 LEU H . . 5.500 5.200 4.989 5.450 . 0 0 "[ . 1 . 2]" 1
388 1 80 LEU O 1 84 MET H . . 2.000 1.908 1.795 2.017 0.017 7 0 "[ . 1 . 2]" 1
389 1 80 LEU O 1 84 MET N . . 3.000 2.815 2.704 2.957 . 0 0 "[ . 1 . 2]" 1
390 1 81 TYR H 1 82 LYS H . . 2.990 2.845 2.683 2.978 . 0 0 "[ . 1 . 2]" 1
391 1 81 TYR HA 1 82 LYS H . . 3.500 3.598 3.572 3.634 0.134 8 0 "[ . 1 . 2]" 1
392 1 82 LYS H 1 82 LYS HA . . 3.000 2.833 2.807 2.856 . 0 0 "[ . 1 . 2]" 1
393 1 82 LYS H 1 83 LEU H . . 2.680 2.527 2.431 2.651 . 0 0 "[ . 1 . 2]" 1
394 1 82 LYS HA 1 83 LEU H . . 3.500 3.579 3.543 3.623 0.123 17 0 "[ . 1 . 2]" 1
395 1 82 LYS HA 1 85 ASP H . . 4.500 3.443 3.058 3.713 . 0 0 "[ . 1 . 2]" 1
396 1 83 LEU H 1 83 LEU HG . . 5.050 4.169 2.477 4.442 . 0 0 "[ . 1 . 2]" 1
397 1 83 LEU H 1 84 MET H . . 3.400 2.675 2.436 2.933 . 0 0 "[ . 1 . 2]" 1
398 1 83 LEU HA 1 84 MET H . . 4.000 3.599 3.550 3.635 . 0 0 "[ . 1 . 2]" 1
399 1 84 MET HA 1 85 ASP H . . 4.030 3.624 3.574 3.641 . 0 0 "[ . 1 . 2]" 1
400 1 85 ASP CG 1 90 GLY H . . 3.000 2.979 2.865 3.014 0.014 12 0 "[ . 1 . 2]" 1
401 1 85 ASP H 1 86 VAL H . . 4.200 4.119 3.649 4.251 0.051 13 0 "[ . 1 . 2]" 1
402 1 85 ASP HA 1 86 VAL H . . 4.000 2.381 2.311 2.641 . 0 0 "[ . 1 . 2]" 1
403 1 85 ASP HB3 1 86 VAL H . . 4.500 4.448 4.047 4.599 0.099 6 0 "[ . 1 . 2]" 1
404 1 86 VAL H 1 86 VAL HB . . 4.000 2.563 2.331 3.532 . 0 0 "[ . 1 . 2]" 1
405 1 86 VAL H 1 87 ASP H . . 4.200 2.542 2.098 4.114 . 0 0 "[ . 1 . 2]" 1
406 1 86 VAL HA 1 87 ASP H . . 3.500 3.275 2.237 3.544 0.044 15 0 "[ . 1 . 2]" 1
407 1 86 VAL HB 1 87 ASP H . . 4.500 4.072 2.981 4.523 0.023 9 0 "[ . 1 . 2]" 1
408 1 86 VAL QG 1 87 ASP H . . 5.500 3.028 2.415 3.739 . 0 0 "[ . 1 . 2]" 1
409 1 87 ASP H 1 88 GLY H . . 4.000 2.404 1.894 2.839 . 0 0 "[ . 1 . 2]" 1
410 1 87 ASP HA 1 88 GLY H . . 4.000 3.605 3.521 3.645 . 0 0 "[ . 1 . 2]" 1
411 1 88 GLY H 1 89 ASP H . . 4.000 2.736 2.236 3.379 . 0 0 "[ . 1 . 2]" 1
412 1 88 GLY H 1 90 GLY H . . 4.500 4.283 3.958 4.503 0.003 14 0 "[ . 1 . 2]" 1
413 1 88 GLY QA 1 89 ASP H . . 4.000 2.453 2.206 2.628 . 0 0 "[ . 1 . 2]" 1
414 1 88 GLY QA 1 90 GLY H . . 5.000 4.076 3.837 4.241 . 0 0 "[ . 1 . 2]" 1
415 1 89 ASP H 1 89 ASP HB3 . . 4.170 3.544 2.591 3.977 . 0 0 "[ . 1 . 2]" 1
416 1 89 ASP H 1 90 GLY H . . 4.000 1.994 1.894 2.264 . 0 0 "[ . 1 . 2]" 1
417 1 89 ASP HA 1 90 GLY H . . 4.500 3.636 3.616 3.651 . 0 0 "[ . 1 . 2]" 1
418 1 90 GLY H 1 91 LYS H . . 4.500 2.302 2.033 2.958 . 0 0 "[ . 1 . 2]" 1
419 1 90 GLY QA 1 91 LYS H . . 4.000 2.876 2.731 2.990 . 0 0 "[ . 1 . 2]" 1
420 1 91 LYS CA 1 125 THR HA . . 3.000 2.971 2.876 3.035 0.035 14 0 "[ . 1 . 2]" 1
421 1 91 LYS HA 1 92 LEU H . . 2.730 2.416 2.178 2.649 . 0 0 "[ . 1 . 2]" 1
422 1 91 LYS HA 1 125 THR HA . . 2.100 2.095 1.984 2.145 0.045 16 0 "[ . 1 . 2]" 1
423 1 92 LEU H 1 92 LEU HG . . 5.000 4.054 2.277 4.671 . 0 0 "[ . 1 . 2]" 1
424 1 92 LEU H 1 124 ILE H . . 3.510 3.451 3.044 3.528 0.018 16 0 "[ . 1 . 2]" 1
425 1 92 LEU H 1 125 THR HA . . 4.000 2.735 2.476 3.172 . 0 0 "[ . 1 . 2]" 1
426 1 92 LEU HA 1 93 THR H . . 2.500 2.496 2.397 2.579 0.079 12 0 "[ . 1 . 2]" 1
427 1 92 LEU MD1 1 93 THR H . . 6.500 3.900 2.232 4.817 . 0 0 "[ . 1 . 2]" 1
428 1 92 LEU MD2 1 93 THR H . . 6.500 3.533 2.051 4.828 . 0 0 "[ . 1 . 2]" 1
429 1 92 LEU HG 1 93 THR H . . 5.500 3.861 1.948 4.720 . 0 0 "[ . 1 . 2]" 1
430 1 92 LEU N 1 124 ILE O . . 3.000 2.862 2.695 3.001 0.001 2 0 "[ . 1 . 2]" 1
431 1 92 LEU O 1 124 ILE H . . 2.000 1.809 1.701 1.920 . 0 0 "[ . 1 . 2]" 1
432 1 92 LEU O 1 124 ILE N . . 3.000 2.709 2.687 2.774 . 0 0 "[ . 1 . 2]" 1
433 1 93 THR CA 1 123 TYR HA . . 3.000 3.012 2.948 3.070 0.070 16 0 "[ . 1 . 2]" 1
434 1 93 THR HA 1 123 TYR HA . . 2.100 2.030 1.986 2.103 0.003 14 0 "[ . 1 . 2]" 1
435 1 93 THR HA 1 124 ILE H . . 4.500 2.726 2.337 3.017 . 0 0 "[ . 1 . 2]" 1
436 1 93 THR OG1 1 96 GLU H . . 2.100 2.059 1.835 2.151 0.051 15 0 "[ . 1 . 2]" 1
437 1 94 LYS H 1 95 GLU H . . 3.420 2.532 2.429 2.722 . 0 0 "[ . 1 . 2]" 1
438 1 94 LYS HA 1 95 GLU H . . 3.500 3.570 3.543 3.624 0.124 16 0 "[ . 1 . 2]" 1
439 1 94 LYS HA 1 96 GLU H . . 5.500 4.478 4.175 5.085 . 0 0 "[ . 1 . 2]" 1
440 1 94 LYS HA 1 97 VAL H . . 4.000 3.647 3.369 3.988 . 0 0 "[ . 1 . 2]" 1
441 1 94 LYS HA 1 97 VAL HB . . 4.500 3.388 2.423 3.866 . 0 0 "[ . 1 . 2]" 1
442 1 94 LYS O 1 98 THR H . . 2.000 1.972 1.818 2.033 0.033 15 0 "[ . 1 . 2]" 1
443 1 94 LYS O 1 98 THR N . . 3.000 2.886 2.787 2.971 . 0 0 "[ . 1 . 2]" 1
444 1 95 GLU H 1 95 GLU HG3 . . 5.500 3.848 1.994 4.515 . 0 0 "[ . 1 . 2]" 1
445 1 95 GLU H 1 96 GLU H . . 3.110 2.547 2.449 2.715 . 0 0 "[ . 1 . 2]" 1
446 1 95 GLU HA 1 96 GLU H . . 3.510 3.594 3.549 3.644 0.134 14 0 "[ . 1 . 2]" 1
447 1 95 GLU HA 1 98 THR H . . 4.000 3.583 3.297 3.802 . 0 0 "[ . 1 . 2]" 1
448 1 95 GLU HA 1 98 THR HB . . 4.500 2.945 2.002 3.899 . 0 0 "[ . 1 . 2]" 1
449 1 95 GLU O 1 99 SER H . . 2.000 1.975 1.799 2.022 0.022 18 0 "[ . 1 . 2]" 1
450 1 95 GLU O 1 99 SER N . . 3.000 2.777 2.693 2.985 . 0 0 "[ . 1 . 2]" 1
451 1 96 GLU H 1 96 GLU HA . . 2.900 2.786 2.700 2.826 . 0 0 "[ . 1 . 2]" 1
452 1 96 GLU H 1 96 GLU HB3 . . 4.000 2.888 2.467 3.567 . 0 0 "[ . 1 . 2]" 1
453 1 96 GLU H 1 97 VAL H . . 2.990 2.710 2.497 2.970 . 0 0 "[ . 1 . 2]" 1
454 1 96 GLU HA 1 97 VAL H . . 3.500 3.624 3.567 3.645 0.145 16 0 "[ . 1 . 2]" 1
455 1 96 GLU HB3 1 97 VAL H . . 4.000 2.738 2.336 3.988 . 0 0 "[ . 1 . 2]" 1
456 1 96 GLU O 1 100 PHE H . . 2.000 1.891 1.779 2.005 0.005 19 0 "[ . 1 . 2]" 1
457 1 96 GLU O 1 100 PHE N . . 3.000 2.834 2.710 3.001 0.001 3 0 "[ . 1 . 2]" 1
458 1 97 VAL H 1 97 VAL HB . . 4.000 2.098 1.989 2.187 . 0 0 "[ . 1 . 2]" 1
459 1 97 VAL H 1 97 VAL MG1 . . 4.170 2.825 2.383 3.575 . 0 0 "[ . 1 . 2]" 1
460 1 97 VAL H 1 97 VAL QG . . 3.570 2.579 2.353 2.842 . 0 0 "[ . 1 . 2]" 1
461 1 97 VAL H 1 97 VAL MG2 . . 4.170 3.384 2.703 3.633 . 0 0 "[ . 1 . 2]" 1
462 1 97 VAL H 1 98 THR H . . 2.860 2.709 2.487 2.867 0.007 16 0 "[ . 1 . 2]" 1
463 1 97 VAL HA 1 98 THR H . . 3.560 3.613 3.578 3.640 0.080 12 0 "[ . 1 . 2]" 1
464 1 97 VAL HA 1 100 PHE H . . 4.040 3.488 3.040 3.646 . 0 0 "[ . 1 . 2]" 1
465 1 97 VAL HB 1 98 THR H . . 4.000 3.395 2.546 3.698 . 0 0 "[ . 1 . 2]" 1
466 1 97 VAL HB 1 113 VAL QG . . 6.200 3.408 2.546 3.921 . 0 0 "[ . 1 . 2]" 1
467 1 97 VAL QG 1 109 VAL QG . . 5.500 2.681 2.146 3.009 . 0 0 "[ . 1 . 2]" 1
468 1 97 VAL MG1 1 98 THR H . . 5.160 2.133 1.858 2.860 . 0 0 "[ . 1 . 2]" 1
469 1 97 VAL MG1 1 101 PHE H . . 6.000 4.356 3.321 4.701 . 0 0 "[ . 1 . 2]" 1
470 1 97 VAL MG2 1 98 THR H . . 5.160 4.047 3.866 4.295 . 0 0 "[ . 1 . 2]" 1
471 1 97 VAL MG2 1 101 PHE H . . 6.000 4.435 3.857 5.406 . 0 0 "[ . 1 . 2]" 1
472 1 97 VAL O 1 101 PHE H . . 2.000 1.851 1.788 2.015 0.015 17 0 "[ . 1 . 2]" 1
473 1 97 VAL O 1 101 PHE N . . 3.000 2.819 2.745 2.983 . 0 0 "[ . 1 . 2]" 1
474 1 98 THR H 1 98 THR HB . . 3.020 2.222 2.084 2.461 . 0 0 "[ . 1 . 2]" 1
475 1 98 THR H 1 98 THR MG . . 4.360 3.137 2.297 3.678 . 0 0 "[ . 1 . 2]" 1
476 1 98 THR H 1 99 SER H . . 3.500 2.670 2.483 2.960 . 0 0 "[ . 1 . 2]" 1
477 1 98 THR HA 1 99 SER H . . 3.500 3.565 3.538 3.630 0.130 20 0 "[ . 1 . 2]" 1
478 1 98 THR HA 1 100 PHE H . . 5.500 4.645 4.274 5.061 . 0 0 "[ . 1 . 2]" 1
479 1 98 THR MG 1 99 SER H . . 4.760 2.900 2.063 3.780 . 0 0 "[ . 1 . 2]" 1
480 1 98 THR O 1 102 LYS H . . 2.000 1.947 1.843 2.011 0.011 14 0 "[ . 1 . 2]" 1
481 1 98 THR O 1 102 LYS N . . 3.000 2.759 2.694 2.878 . 0 0 "[ . 1 . 2]" 1
482 1 99 SER H 1 100 PHE H . . 2.900 2.650 2.504 2.768 . 0 0 "[ . 1 . 2]" 1
483 1 99 SER H 1 101 PHE H . . 4.230 4.063 3.804 4.245 0.015 10 0 "[ . 1 . 2]" 1
484 1 99 SER HA 1 100 PHE H . . 3.500 3.624 3.587 3.646 0.146 9 0 "[ . 1 . 2]" 1
485 1 100 PHE H 1 100 PHE HB3 . . 4.000 2.856 2.065 3.439 . 0 0 "[ . 1 . 2]" 1
486 1 100 PHE H 1 101 PHE H . . 3.100 2.727 2.494 3.071 . 0 0 "[ . 1 . 2]" 1
487 1 100 PHE H 1 102 LYS H . . 4.320 3.966 3.750 4.186 . 0 0 "[ . 1 . 2]" 1
488 1 100 PHE HA 1 101 PHE H . . 3.500 3.615 3.586 3.637 0.137 7 0 "[ . 1 . 2]" 1
489 1 100 PHE HB3 1 101 PHE H . . 4.000 2.806 2.304 3.419 . 0 0 "[ . 1 . 2]" 1
490 1 101 PHE H 1 101 PHE HA . . 2.800 2.824 2.758 2.845 0.045 14 0 "[ . 1 . 2]" 1
491 1 101 PHE H 1 101 PHE HB3 . . 4.000 3.356 3.290 3.429 . 0 0 "[ . 1 . 2]" 1
492 1 101 PHE H 1 102 LYS H . . 3.000 2.551 2.470 2.845 . 0 0 "[ . 1 . 2]" 1
493 1 101 PHE HA 1 102 LYS H . . 4.000 3.568 3.551 3.632 . 0 0 "[ . 1 . 2]" 1
494 1 101 PHE HZ 1 129 PHE HZ . . 6.000 5.230 3.241 6.011 0.011 20 0 "[ . 1 . 2]" 1
495 1 102 LYS H 1 102 LYS HA . . 2.680 2.704 2.675 2.733 0.053 17 0 "[ . 1 . 2]" 1
496 1 102 LYS H 1 103 LYS H . . 2.860 2.872 2.782 2.902 0.042 19 0 "[ . 1 . 2]" 1
497 1 102 LYS H 1 104 HIS H . . 4.500 4.318 4.072 4.578 0.078 19 0 "[ . 1 . 2]" 1
498 1 102 LYS HA 1 104 HIS H . . 4.000 3.887 3.573 4.011 0.011 16 0 "[ . 1 . 2]" 1
499 1 103 LYS H 1 103 LYS HB3 . . 4.000 3.246 2.236 3.538 . 0 0 "[ . 1 . 2]" 1
500 1 103 LYS H 1 104 HIS H . . 3.090 2.826 2.569 2.968 . 0 0 "[ . 1 . 2]" 1
501 1 103 LYS HA 1 105 GLY H . . 5.000 4.926 4.587 5.010 0.010 20 0 "[ . 1 . 2]" 1
502 1 103 LYS HB3 1 104 HIS H . . 4.000 3.343 2.745 3.854 . 0 0 "[ . 1 . 2]" 1
503 1 104 HIS H 1 105 GLY H . . 3.550 2.438 2.100 2.805 . 0 0 "[ . 1 . 2]" 1
504 1 104 HIS H 1 106 ILE H . . 5.310 4.105 3.703 4.828 . 0 0 "[ . 1 . 2]" 1
505 1 104 HIS HA 1 106 ILE H . . 4.720 4.648 4.471 4.734 0.014 12 0 "[ . 1 . 2]" 1
506 1 104 HIS HB3 1 105 GLY H . . 5.500 2.858 2.425 3.496 . 0 0 "[ . 1 . 2]" 1
507 1 104 HIS HB3 1 106 ILE H . . 4.820 2.567 2.262 3.185 . 0 0 "[ . 1 . 2]" 1
508 1 105 GLY H 1 106 ILE H . . 2.930 2.207 2.070 2.541 . 0 0 "[ . 1 . 2]" 1
509 1 106 ILE H 1 106 ILE HB . . 4.010 2.774 2.129 3.565 . 0 0 "[ . 1 . 2]" 1
510 1 106 ILE H 1 106 ILE MG . . 4.570 2.196 1.911 3.456 . 0 0 "[ . 1 . 2]" 1
511 1 106 ILE H 1 107 GLU H . . 4.000 3.907 3.545 4.054 0.054 14 0 "[ . 1 . 2]" 1
512 1 106 ILE HA 1 107 GLU H . . 3.500 2.424 2.305 2.605 . 0 0 "[ . 1 . 2]" 1
513 1 106 ILE HA 1 108 LYS H . . 5.500 3.249 3.156 3.310 . 0 0 "[ . 1 . 2]" 1
514 1 106 ILE HB 1 109 VAL H . . 6.000 4.588 3.033 5.515 . 0 0 "[ . 1 . 2]" 1
515 1 107 GLU H 1 108 LYS H . . 3.500 2.652 2.439 2.927 . 0 0 "[ . 1 . 2]" 1
516 1 107 GLU H 1 109 VAL H . . 5.380 4.561 4.180 4.931 . 0 0 "[ . 1 . 2]" 1
517 1 107 GLU HA 1 108 LYS H . . 3.700 3.543 3.531 3.558 . 0 0 "[ . 1 . 2]" 1
518 1 107 GLU HA 1 110 ALA H . . 5.100 3.218 2.919 3.573 . 0 0 "[ . 1 . 2]" 1
519 1 108 LYS H 1 109 VAL H . . 3.730 2.946 2.783 3.131 . 0 0 "[ . 1 . 2]" 1
520 1 108 LYS HA 1 109 VAL H . . 3.590 3.605 3.543 3.639 0.049 3 0 "[ . 1 . 2]" 1
521 1 108 LYS HA 1 110 ALA H . . 4.450 3.989 3.616 4.465 0.015 17 0 "[ . 1 . 2]" 1
522 1 108 LYS HA 1 111 GLU H . . 4.480 3.125 2.947 3.374 . 0 0 "[ . 1 . 2]" 1
523 1 108 LYS O 1 112 GLN H . . 2.000 1.938 1.792 2.022 0.022 14 0 "[ . 1 . 2]" 1
524 1 108 LYS O 1 112 GLN N . . 3.000 2.851 2.741 2.961 . 0 0 "[ . 1 . 2]" 1
525 1 109 VAL H 1 109 VAL HB . . 4.000 2.161 2.052 2.510 . 0 0 "[ . 1 . 2]" 1
526 1 109 VAL H 1 109 VAL MG1 . . 4.790 2.666 2.055 3.650 . 0 0 "[ . 1 . 2]" 1
527 1 109 VAL H 1 109 VAL QG . . 3.900 2.455 2.045 2.665 . 0 0 "[ . 1 . 2]" 1
528 1 109 VAL H 1 109 VAL MG2 . . 4.790 3.436 2.330 3.705 . 0 0 "[ . 1 . 2]" 1
529 1 109 VAL H 1 110 ALA H . . 3.400 2.792 2.575 2.861 . 0 0 "[ . 1 . 2]" 1
530 1 109 VAL HA 1 110 ALA H . . 3.600 3.576 3.547 3.608 0.008 17 0 "[ . 1 . 2]" 1
531 1 109 VAL HA 1 112 GLN H . . 3.300 3.123 3.006 3.253 . 0 0 "[ . 1 . 2]" 1
532 1 109 VAL MG1 1 110 ALA H . . 6.000 2.223 1.907 3.234 . 0 0 "[ . 1 . 2]" 1
533 1 109 VAL MG2 1 110 ALA H . . 6.000 4.063 3.557 4.266 . 0 0 "[ . 1 . 2]" 1
534 1 109 VAL O 1 113 VAL H . . 2.000 1.847 1.784 1.934 . 0 0 "[ . 1 . 2]" 1
535 1 109 VAL O 1 113 VAL N . . 3.000 2.774 2.698 2.864 . 0 0 "[ . 1 . 2]" 1
536 1 110 ALA H 1 111 GLU H . . 2.740 2.661 2.553 2.750 0.010 20 0 "[ . 1 . 2]" 1
537 1 110 ALA HA 1 111 GLU H . . 3.500 3.596 3.546 3.621 0.121 16 0 "[ . 1 . 2]" 1
538 1 110 ALA HA 1 113 VAL H . . 4.000 3.519 3.282 3.801 . 0 0 "[ . 1 . 2]" 1
539 1 110 ALA HA 1 113 VAL HB . . 4.500 3.270 2.408 4.488 . 0 0 "[ . 1 . 2]" 1
540 1 110 ALA HA 1 114 MET H . . 5.500 4.038 3.759 4.177 . 0 0 "[ . 1 . 2]" 1
541 1 110 ALA MB 1 111 GLU H . . 3.800 2.671 2.505 2.952 . 0 0 "[ . 1 . 2]" 1
542 1 110 ALA MB 1 112 GLN H . . 5.600 4.536 4.331 4.661 . 0 0 "[ . 1 . 2]" 1
543 1 110 ALA MB 1 113 VAL H . . 6.000 4.671 4.481 4.878 . 0 0 "[ . 1 . 2]" 1
544 1 110 ALA O 1 114 MET H . . 2.000 1.999 1.902 2.025 0.025 20 0 "[ . 1 . 2]" 1
545 1 110 ALA O 1 114 MET N . . 3.000 2.899 2.765 2.986 . 0 0 "[ . 1 . 2]" 1
546 1 111 GLU H 1 111 GLU HB3 . . 2.830 2.666 2.482 2.821 . 0 0 "[ . 1 . 2]" 1
547 1 111 GLU H 1 112 GLN H . . 2.820 2.545 2.463 2.634 . 0 0 "[ . 1 . 2]" 1
548 1 111 GLU HA 1 112 GLN H . . 3.520 3.588 3.550 3.618 0.098 5 0 "[ . 1 . 2]" 1
549 1 111 GLU HA 1 114 MET H . . 3.390 3.299 3.214 3.415 0.025 13 0 "[ . 1 . 2]" 1
550 1 111 GLU O 1 115 LYS H . . 2.000 2.001 1.970 2.014 0.014 7 0 "[ . 1 . 2]" 1
551 1 111 GLU O 1 115 LYS N . . 3.000 2.925 2.860 2.973 . 0 0 "[ . 1 . 2]" 1
552 1 112 GLN H 1 113 VAL H . . 3.000 2.648 2.493 2.831 . 0 0 "[ . 1 . 2]" 1
553 1 112 GLN HA 1 113 VAL H . . 3.500 3.594 3.542 3.636 0.136 14 0 "[ . 1 . 2]" 1
554 1 112 GLN O 1 116 ALA H . . 2.000 2.004 1.872 2.018 0.018 16 0 "[ . 1 . 2]" 1
555 1 112 GLN O 1 116 ALA N . . 3.000 2.832 2.722 2.876 . 0 0 "[ . 1 . 2]" 1
556 1 113 VAL H 1 113 VAL HB . . 4.000 2.355 2.114 3.532 . 0 0 "[ . 1 . 2]" 1
557 1 113 VAL H 1 113 VAL QG . . 4.210 2.274 1.790 2.692 . 0 0 "[ . 1 . 2]" 1
558 1 113 VAL H 1 114 MET H . . 2.740 2.535 2.424 2.622 . 0 0 "[ . 1 . 2]" 1
559 1 113 VAL H 1 115 LYS H . . 5.500 4.122 3.948 4.376 . 0 0 "[ . 1 . 2]" 1
560 1 113 VAL HA 1 114 MET H . . 3.540 3.590 3.558 3.626 0.086 9 0 "[ . 1 . 2]" 1
561 1 113 VAL HA 1 115 LYS H . . 4.420 4.372 4.280 4.436 0.016 15 0 "[ . 1 . 2]" 1
562 1 113 VAL HA 1 116 ALA H . . 4.110 3.171 3.001 3.336 . 0 0 "[ . 1 . 2]" 1
563 1 113 VAL HA 1 116 ALA MB . . 4.500 2.103 1.893 2.307 . 0 0 "[ . 1 . 2]" 1
564 1 113 VAL QG 1 114 MET H . . 5.030 2.733 1.948 3.358 . 0 0 "[ . 1 . 2]" 1
565 1 113 VAL MG1 1 114 MET H . . 5.660 2.920 1.955 3.970 . 0 0 "[ . 1 . 2]" 1
566 1 113 VAL MG2 1 114 MET H . . 5.660 3.875 2.004 4.218 . 0 0 "[ . 1 . 2]" 1
567 1 114 MET H 1 114 MET HB3 . . 4.000 2.896 2.249 3.459 . 0 0 "[ . 1 . 2]" 1
568 1 114 MET H 1 115 LYS H . . 3.210 2.720 2.529 3.011 . 0 0 "[ . 1 . 2]" 1
569 1 114 MET HA 1 115 LYS H . . 3.510 3.605 3.586 3.632 0.122 20 0 "[ . 1 . 2]" 1
570 1 114 MET HA 1 116 ALA H . . 4.320 4.270 4.192 4.353 0.033 20 0 "[ . 1 . 2]" 1
571 1 115 LYS H 1 116 ALA H . . 2.800 2.422 2.417 2.427 . 0 0 "[ . 1 . 2]" 1
572 1 115 LYS HA 1 116 ALA H . . 3.500 3.550 3.544 3.563 0.063 18 0 "[ . 1 . 2]" 1
573 1 115 LYS HA 1 117 ASP H . . 4.690 4.477 4.241 4.687 . 0 0 "[ . 1 . 2]" 1
574 1 116 ALA H 1 116 ALA MB . . 3.550 2.042 1.937 2.149 . 0 0 "[ . 1 . 2]" 1
575 1 116 ALA H 1 117 ASP H . . 2.990 2.738 2.514 2.895 . 0 0 "[ . 1 . 2]" 1
576 1 116 ALA HA 1 117 ASP H . . 3.590 3.626 3.595 3.640 0.050 4 0 "[ . 1 . 2]" 1
577 1 116 ALA MB 1 117 ASP H . . 4.500 2.497 2.266 2.732 . 0 0 "[ . 1 . 2]" 1
578 1 117 ASP CG 1 122 GLY H . . 3.000 2.893 2.668 3.023 0.023 20 0 "[ . 1 . 2]" 1
579 1 117 ASP H 1 118 ALA H . . 4.050 3.676 3.009 4.089 0.039 14 0 "[ . 1 . 2]" 1
580 1 117 ASP HA 1 118 ALA H . . 4.500 2.866 2.360 3.655 . 0 0 "[ . 1 . 2]" 1
581 1 117 ASP HA 1 119 ASN H . . 4.510 3.675 3.203 4.374 . 0 0 "[ . 1 . 2]" 1
582 1 118 ALA H 1 119 ASN H . . 4.000 2.867 2.195 3.695 . 0 0 "[ . 1 . 2]" 1
583 1 118 ALA HA 1 119 ASN H . . 4.020 3.265 2.712 3.642 . 0 0 "[ . 1 . 2]" 1
584 1 118 ALA HA 1 120 GLY H . . 4.500 4.031 3.093 4.491 . 0 0 "[ . 1 . 2]" 1
585 1 118 ALA MB 1 119 ASN H . . 4.500 3.111 2.165 3.785 . 0 0 "[ . 1 . 2]" 1
586 1 119 ASN H 1 120 GLY H . . 4.000 2.614 2.006 3.020 . 0 0 "[ . 1 . 2]" 1
587 1 119 ASN HA 1 120 GLY H . . 4.500 3.522 2.955 3.654 . 0 0 "[ . 1 . 2]" 1
588 1 120 GLY H 1 121 ASP H . . 4.500 2.800 2.125 3.673 . 0 0 "[ . 1 . 2]" 1
589 1 120 GLY H 1 122 GLY H . . 5.000 4.116 3.420 4.907 . 0 0 "[ . 1 . 2]" 1
590 1 120 GLY QA 1 121 ASP H . . 4.000 2.532 2.178 2.877 . 0 0 "[ . 1 . 2]" 1
591 1 120 GLY QA 1 122 GLY H . . 5.500 4.213 3.742 4.740 . 0 0 "[ . 1 . 2]" 1
592 1 121 ASP H 1 122 GLY H . . 3.500 2.188 1.901 3.145 . 0 0 "[ . 1 . 2]" 1
593 1 121 ASP HA 1 122 GLY H . . 4.000 3.640 3.612 3.655 . 0 0 "[ . 1 . 2]" 1
594 1 122 GLY H 1 123 TYR H . . 4.000 2.280 1.916 2.702 . 0 0 "[ . 1 . 2]" 1
595 1 122 GLY QA 1 123 TYR H . . 4.000 2.875 2.789 2.959 . 0 0 "[ . 1 . 2]" 1
596 1 123 TYR HA 1 124 ILE H . . 2.700 2.441 2.187 2.684 . 0 0 "[ . 1 . 2]" 1
597 1 124 ILE H 1 124 ILE HB . . 4.000 3.445 2.729 3.958 . 0 0 "[ . 1 . 2]" 1
598 1 124 ILE HA 1 125 THR H . . 3.000 2.535 2.421 2.767 . 0 0 "[ . 1 . 2]" 1
599 1 124 ILE HB 1 124 ILE MD . . 3.000 2.155 1.970 2.354 . 0 0 "[ . 1 . 2]" 1
600 1 124 ILE HB 1 125 THR H . . 5.000 3.174 1.956 4.041 . 0 0 "[ . 1 . 2]" 1
601 1 124 ILE MD 1 125 THR H . . 5.500 3.703 2.759 4.549 . 0 0 "[ . 1 . 2]" 1
602 1 124 ILE MG 1 125 THR H . . 5.720 3.271 1.858 3.830 . 0 0 "[ . 1 . 2]" 1
603 1 125 THR H 1 125 THR HB . . 4.000 3.814 3.736 3.929 . 0 0 "[ . 1 . 2]" 1
604 1 125 THR HA 1 126 LEU H . . 3.500 2.654 2.378 2.886 . 0 0 "[ . 1 . 2]" 1
605 1 125 THR HB 1 126 LEU H . . 4.500 2.371 2.129 2.734 . 0 0 "[ . 1 . 2]" 1
606 1 125 THR OG1 1 128 GLU H . . 2.100 2.089 1.998 2.148 0.048 4 0 "[ . 1 . 2]" 1
607 1 126 LEU H 1 126 LEU HG . . 4.860 3.109 1.950 4.468 . 0 0 "[ . 1 . 2]" 1
608 1 126 LEU H 1 127 GLU H . . 3.080 2.557 2.439 2.750 . 0 0 "[ . 1 . 2]" 1
609 1 126 LEU HA 1 127 GLU H . . 3.580 3.604 3.546 3.639 0.059 9 0 "[ . 1 . 2]" 1
610 1 126 LEU HB3 1 127 GLU H . . 4.500 3.487 2.513 4.170 . 0 0 "[ . 1 . 2]" 1
611 1 126 LEU QD 1 127 GLU H . . 5.310 3.469 1.887 4.033 . 0 0 "[ . 1 . 2]" 1
612 1 126 LEU MD1 1 127 GLU H . . 6.000 3.814 1.898 4.721 . 0 0 "[ . 1 . 2]" 1
613 1 126 LEU MD2 1 127 GLU H . . 6.000 4.293 2.972 4.995 . 0 0 "[ . 1 . 2]" 1
614 1 126 LEU O 1 130 LEU H . . 2.000 1.969 1.808 2.019 0.019 8 0 "[ . 1 . 2]" 1
615 1 126 LEU O 1 130 LEU N . . 3.000 2.866 2.795 2.974 . 0 0 "[ . 1 . 2]" 1
616 1 127 GLU H 1 127 GLU HB3 . . 3.500 2.985 2.313 3.459 . 0 0 "[ . 1 . 2]" 1
617 1 127 GLU H 1 127 GLU HG3 . . 5.500 3.876 2.830 4.605 . 0 0 "[ . 1 . 2]" 1
618 1 127 GLU H 1 128 GLU H . . 3.140 2.683 2.599 2.822 . 0 0 "[ . 1 . 2]" 1
619 1 127 GLU HA 1 128 GLU H . . 3.540 3.617 3.561 3.640 0.100 13 0 "[ . 1 . 2]" 1
620 1 127 GLU HA 1 130 LEU H . . 4.000 3.347 3.100 3.604 . 0 0 "[ . 1 . 2]" 1
621 1 127 GLU O 1 131 GLU H . . 2.000 1.923 1.798 2.012 0.012 8 0 "[ . 1 . 2]" 1
622 1 127 GLU O 1 131 GLU N . . 3.000 2.908 2.781 3.002 0.002 4 0 "[ . 1 . 2]" 1
623 1 128 GLU H 1 128 GLU HB3 . . 4.000 2.444 2.311 2.576 . 0 0 "[ . 1 . 2]" 1
624 1 128 GLU H 1 129 PHE H . . 3.000 2.676 2.482 2.875 . 0 0 "[ . 1 . 2]" 1
625 1 128 GLU H 1 130 LEU H . . 5.500 4.197 3.954 4.642 . 0 0 "[ . 1 . 2]" 1
626 1 128 GLU HA 1 129 PHE H . . 3.500 3.581 3.546 3.606 0.106 4 0 "[ . 1 . 2]" 1
627 1 128 GLU O 1 132 PHE H . . 2.000 1.974 1.819 2.054 0.054 18 0 "[ . 1 . 2]" 1
628 1 128 GLU O 1 132 PHE N . . 3.000 2.849 2.712 3.025 0.025 18 0 "[ . 1 . 2]" 1
629 1 129 PHE H 1 129 PHE HB3 . . 4.000 2.417 2.140 2.943 . 0 0 "[ . 1 . 2]" 1
630 1 129 PHE H 1 130 LEU H . . 3.140 2.602 2.479 2.829 . 0 0 "[ . 1 . 2]" 1
631 1 129 PHE HA 1 130 LEU H . . 3.540 3.599 3.556 3.642 0.102 12 0 "[ . 1 . 2]" 1
632 1 129 PHE HA 1 132 PHE H . . 4.450 3.458 3.153 3.742 . 0 0 "[ . 1 . 2]" 1
633 1 130 LEU H 1 130 LEU HB3 . . 4.000 2.486 2.163 2.798 . 0 0 "[ . 1 . 2]" 1
634 1 130 LEU H 1 130 LEU HG . . 4.500 4.426 4.333 4.526 0.026 1 0 "[ . 1 . 2]" 1
635 1 130 LEU H 1 131 GLU H . . 3.020 2.764 2.590 2.992 . 0 0 "[ . 1 . 2]" 1
636 1 130 LEU HG 1 131 GLU H . . 4.320 4.308 4.198 4.334 0.014 1 0 "[ . 1 . 2]" 1
637 1 131 GLU H 1 131 GLU HB3 . . 4.050 3.107 2.503 3.542 . 0 0 "[ . 1 . 2]" 1
638 1 131 GLU H 1 132 PHE H . . 3.000 2.707 2.497 2.939 . 0 0 "[ . 1 . 2]" 1
639 1 131 GLU HA 1 132 PHE H . . 3.500 3.588 3.541 3.636 0.136 13 0 "[ . 1 . 2]" 1
640 1 131 GLU HB3 1 132 PHE H . . 3.890 3.158 2.484 3.930 0.040 18 0 "[ . 1 . 2]" 1
641 1 132 PHE H 1 133 SER H . . 3.300 2.750 2.506 3.020 . 0 0 "[ . 1 . 2]" 1
642 1 132 PHE HA 1 133 SER H . . 3.520 3.587 3.552 3.640 0.120 6 0 "[ . 1 . 2]" 1
643 1 133 SER H 1 133 SER HA . . 2.800 2.740 2.666 2.824 0.024 17 0 "[ . 1 . 2]" 1
644 1 133 SER H 1 134 LEU H . . 3.760 2.699 2.443 2.954 . 0 0 "[ . 1 . 2]" 1
645 1 133 SER HA 1 134 LEU H . . 3.500 3.565 3.543 3.619 0.119 20 0 "[ . 1 . 2]" 1
646 1 134 LEU H 1 134 LEU HB3 . . 4.000 2.778 2.196 3.241 . 0 0 "[ . 1 . 2]" 1
647 1 134 LEU H 1 134 LEU HG . . 5.140 4.349 3.779 4.570 . 0 0 "[ . 1 . 2]" 1
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