NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379582 |
1hzk   |
4946 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hzk
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 1090
_Distance_constraint_stats_list.Viol_count 1696
_Distance_constraint_stats_list.Viol_total 2835.609
_Distance_constraint_stats_list.Viol_max 0.489
_Distance_constraint_stats_list.Viol_rms 0.0160
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0557
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 PRO 1.449 0.156 4 0 "[ . 1 . 2 . 3]"
1 3 ALA 0.334 0.127 23 0 "[ . 1 . 2 . 3]"
1 4 PHE 0.047 0.027 21 0 "[ . 1 . 2 . 3]"
1 5 SER 0.001 0.001 19 0 "[ . 1 . 2 . 3]"
1 6 VAL 1.372 0.123 1 0 "[ . 1 . 2 . 3]"
1 7 SER 0.128 0.066 17 0 "[ . 1 . 2 . 3]"
1 8 PRO 0.231 0.058 30 0 "[ . 1 . 2 . 3]"
1 9 ALA 0.748 0.121 30 0 "[ . 1 . 2 . 3]"
1 10 SER 0.793 0.121 30 0 "[ . 1 . 2 . 3]"
1 11 GLY 0.147 0.058 12 0 "[ . 1 . 2 . 3]"
1 12 LEU 0.523 0.058 12 0 "[ . 1 . 2 . 3]"
1 13 SER 2.715 0.091 7 0 "[ . 1 . 2 . 3]"
1 14 ASP 0.065 0.029 29 0 "[ . 1 . 2 . 3]"
1 15 GLY 3.220 0.114 27 0 "[ . 1 . 2 . 3]"
1 16 GLN 1.533 0.114 27 0 "[ . 1 . 2 . 3]"
1 17 SER 0.601 0.091 20 0 "[ . 1 . 2 . 3]"
1 18 VAL 2.495 0.125 19 0 "[ . 1 . 2 . 3]"
1 19 SER 0.533 0.084 10 0 "[ . 1 . 2 . 3]"
1 20 VAL 1.495 0.101 7 0 "[ . 1 . 2 . 3]"
1 21 SER 3.077 0.151 19 0 "[ . 1 . 2 . 3]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 SER 0.105 0.042 1 0 "[ . 1 . 2 . 3]"
1 24 GLY 0.364 0.127 23 0 "[ . 1 . 2 . 3]"
1 25 ALA 2.033 0.156 4 0 "[ . 1 . 2 . 3]"
1 26 ALA 6.583 0.242 23 0 "[ . 1 . 2 . 3]"
1 27 ALA 0.108 0.029 1 0 "[ . 1 . 2 . 3]"
1 28 GLY 3.722 0.151 13 0 "[ . 1 . 2 . 3]"
1 29 GLU 1.759 0.129 30 0 "[ . 1 . 2 . 3]"
1 30 THR 1.499 0.105 19 0 "[ . 1 . 2 . 3]"
1 31 TYR 0.336 0.067 5 0 "[ . 1 . 2 . 3]"
1 32 TYR 0.069 0.026 21 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.479 0.068 13 0 "[ . 1 . 2 . 3]"
1 34 ALA 1.405 0.127 8 0 "[ . 1 . 2 . 3]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 CYS 0.914 0.118 5 0 "[ . 1 . 2 . 3]"
1 37 ALA 1.076 0.108 8 0 "[ . 1 . 2 . 3]"
1 38 PRO 1.908 0.200 23 0 "[ . 1 . 2 . 3]"
1 39 VAL 6.771 0.296 24 0 "[ . 1 . 2 . 3]"
1 40 GLY 3.532 0.296 24 0 "[ . 1 . 2 . 3]"
1 41 GLY 3.434 0.116 24 0 "[ . 1 . 2 . 3]"
1 42 GLN 3.986 0.264 22 0 "[ . 1 . 2 . 3]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 ALA 1.192 0.108 8 0 "[ . 1 . 2 . 3]"
1 45 CYS 1.025 0.237 22 0 "[ . 1 . 2 . 3]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 PRO 1.091 0.075 18 0 "[ . 1 . 2 . 3]"
1 48 ALA 2.233 0.081 18 0 "[ . 1 . 2 . 3]"
1 49 THR 1.199 0.081 18 0 "[ . 1 . 2 . 3]"
1 50 ALA 0.109 0.051 18 0 "[ . 1 . 2 . 3]"
1 51 THR 1.941 0.089 17 0 "[ . 1 . 2 . 3]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 PHE 0.405 0.067 5 0 "[ . 1 . 2 . 3]"
1 54 THR 2.122 0.087 1 0 "[ . 1 . 2 . 3]"
1 55 THR 6.761 0.151 12 0 "[ . 1 . 2 . 3]"
1 56 ASP 7.272 0.242 23 0 "[ . 1 . 2 . 3]"
1 57 ALA 8.087 0.489 1 0 "[ . 1 . 2 . 3]"
1 58 SER 2.336 0.489 1 0 "[ . 1 . 2 . 3]"
1 59 GLY 9.151 0.345 25 0 "[ . 1 . 2 . 3]"
1 60 ALA 2.339 0.200 16 0 "[ . 1 . 2 . 3]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 SER 0.815 0.101 7 0 "[ . 1 . 2 . 3]"
1 63 PHE 4.279 0.151 19 0 "[ . 1 . 2 . 3]"
1 64 SER 2.372 0.125 19 0 "[ . 1 . 2 . 3]"
1 65 PHE 1.092 0.110 8 0 "[ . 1 . 2 . 3]"
1 66 VAL 2.423 0.154 7 0 "[ . 1 . 2 . 3]"
1 67 VAL 2.600 0.154 7 0 "[ . 1 . 2 . 3]"
1 68 ARG 0.176 0.034 24 0 "[ . 1 . 2 . 3]"
1 69 LYS 0.237 0.085 6 0 "[ . 1 . 2 . 3]"
1 70 SER 0.276 0.085 6 0 "[ . 1 . 2 . 3]"
1 71 TYR 1.700 0.122 26 0 "[ . 1 . 2 . 3]"
1 72 THR 0.094 0.058 15 0 "[ . 1 . 2 . 3]"
1 73 GLY 0.344 0.084 22 0 "[ . 1 . 2 . 3]"
1 74 SER 1.242 0.237 22 0 "[ . 1 . 2 . 3]"
1 75 THR 1.848 0.271 21 0 "[ . 1 . 2 . 3]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 77 GLU 2.407 0.087 22 0 "[ . 1 . 2 . 3]"
1 78 GLY 0.913 0.077 21 0 "[ . 1 . 2 . 3]"
1 79 THR 0.797 0.185 12 0 "[ . 1 . 2 . 3]"
1 80 PRO 0.423 0.088 4 0 "[ . 1 . 2 . 3]"
1 81 VAL 1.283 0.144 4 0 "[ . 1 . 2 . 3]"
1 82 GLY 3.085 0.112 1 0 "[ . 1 . 2 . 3]"
1 83 SER 1.166 0.112 1 0 "[ . 1 . 2 . 3]"
1 84 VAL 1.318 0.082 4 0 "[ . 1 . 2 . 3]"
1 85 ASP 0.952 0.122 26 0 "[ . 1 . 2 . 3]"
1 86 CYS 0.153 0.065 1 0 "[ . 1 . 2 . 3]"
1 87 ALA 0.112 0.034 18 0 "[ . 1 . 2 . 3]"
1 88 THR 0.271 0.034 18 0 "[ . 1 . 2 . 3]"
1 89 ALA 2.450 0.088 26 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 91 CYS 0.531 0.077 14 0 "[ . 1 . 2 . 3]"
1 92 ASN 0.120 0.037 23 0 "[ . 1 . 2 . 3]"
1 93 LEU 1.473 0.159 8 0 "[ . 1 . 2 . 3]"
1 94 GLY 0.819 0.100 4 0 "[ . 1 . 2 . 3]"
1 95 ALA 1.297 0.127 8 0 "[ . 1 . 2 . 3]"
1 96 GLY 0.367 0.082 9 0 "[ . 1 . 2 . 3]"
1 97 ASN 4.392 0.246 26 0 "[ . 1 . 2 . 3]"
1 98 SER 2.419 0.245 21 0 "[ . 1 . 2 . 3]"
1 99 GLY 0.511 0.070 26 0 "[ . 1 . 2 . 3]"
1 100 LEU 1.641 0.246 26 0 "[ . 1 . 2 . 3]"
1 101 ASP 1.098 0.083 1 0 "[ . 1 . 2 . 3]"
1 102 LEU 1.845 0.088 10 0 "[ . 1 . 2 . 3]"
1 103 GLY 2.933 0.088 10 0 "[ . 1 . 2 . 3]"
1 104 HIS 0.154 0.067 13 0 "[ . 1 . 2 . 3]"
1 105 VAL 1.410 0.159 8 0 "[ . 1 . 2 . 3]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 107 LEU 0.086 0.037 22 0 "[ . 1 . 2 . 3]"
1 108 THR 0.834 0.065 8 0 "[ . 1 . 2 . 3]"
1 109 PHE 0.472 0.056 3 0 "[ . 1 . 2 . 3]"
1 110 GLY 0.054 0.027 11 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 PRO QD 0.000 . 3.900 2.318 1.865 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 ALA HA 1 2 PRO QG 0.000 . 6.000 4.215 3.784 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 ALA MB 1 2 PRO QD 0.000 . 5.400 2.524 1.728 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 PRO HA 1 3 ALA MB 0.000 . 6.500 3.757 3.602 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 PRO HA 1 3 ALA H 0.000 . 3.500 2.755 2.447 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 PRO HA 1 24 GLY QA 0.000 . 3.900 1.997 1.801 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 PRO HB3 1 3 ALA H 0.000 . 5.000 3.312 3.201 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 PRO HB3 1 25 ALA HA 0.000 . 3.500 3.507 2.857 3.656 0.156 4 0 "[ . 1 . 2 . 3]" 1
9 1 2 PRO HB3 1 25 ALA MB 0.000 . 6.500 2.987 2.144 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 PRO HB3 1 102 LEU MD2 0.000 . 5.000 3.109 2.376 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 PRO HB2 1 3 ALA H 0.000 . 2.900 2.103 1.774 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 PRO HB2 1 25 ALA HA 0.000 . 6.000 4.978 4.127 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 PRO HB2 1 102 LEU MD1 0.000 . 6.500 4.455 3.357 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 PRO HB2 1 102 LEU MD2 0.000 . 5.000 2.348 1.700 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 PRO QG 1 102 LEU MD2 0.000 . 7.500 2.287 1.702 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 ALA H 1 3 ALA MB 0.000 . 3.600 2.566 2.173 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 ALA MB 1 4 PHE H 0.000 . 5.000 3.146 2.830 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 ALA MB 1 22 VAL HA 0.000 . 6.500 3.432 2.947 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 ALA MB 1 23 SER HA 0.000 . 5.000 3.883 3.707 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 ALA H 1 23 SER H 0.000 . 3.500 2.980 2.402 3.542 0.042 1 0 "[ . 1 . 2 . 3]" 1
21 1 3 ALA H 1 24 GLY QA 0.000 . 4.500 3.219 2.129 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 ALA H 1 24 GLY H 0.000 . 5.000 4.699 3.552 5.127 0.127 23 0 "[ . 1 . 2 . 3]" 1
23 1 4 PHE HA 1 5 SER H 0.000 . 2.500 2.259 2.227 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 PHE HA 1 21 SER H 0.000 . 6.000 4.581 4.250 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 PHE HA 1 22 VAL HA 0.000 . 3.500 2.710 2.358 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 PHE HA 1 22 VAL QG 0.000 . 5.900 2.602 2.160 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 4 PHE HA 1 23 SER H 0.000 . 5.000 4.165 3.770 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 PHE H 1 4 PHE QB 0.000 . 3.500 2.561 2.193 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 PHE QB 1 5 SER H 0.000 . 4.500 3.990 3.931 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 PHE QB 1 22 VAL QG 0.000 . 8.400 2.964 2.494 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 PHE QB 1 102 LEU QB 0.000 . 7.000 2.349 1.827 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 PHE QB 1 102 LEU MD1 0.000 . 8.500 3.377 2.316 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 PHE QB 1 102 LEU MD2 0.000 . 8.500 3.006 1.815 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 PHE QD 1 5 SER HA 0.000 . 5.500 3.966 2.893 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 PHE QD 1 5 SER H 0.000 . 5.500 3.615 2.512 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 PHE QD 1 6 VAL H 0.000 . 7.000 5.636 4.604 6.146 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 PHE QD 1 22 VAL HA 0.000 . 5.500 4.012 3.344 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 PHE QD 1 22 VAL QG 0.000 . 7.300 2.105 1.761 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 PHE QD 1 23 SER H 0.000 . 7.000 5.675 5.199 6.191 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 PHE QD 1 95 ALA H 0.000 . 5.500 4.514 3.617 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 PHE QD 1 102 LEU QB 0.000 . 6.500 3.302 2.276 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 PHE QD 1 102 LEU MD1 0.000 . 7.000 3.467 2.181 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 PHE QD 1 102 LEU MD2 0.000 . 8.500 4.167 2.549 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 PHE QD 1 103 GLY HA3 0.000 . 7.000 3.530 1.850 5.727 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 PHE QD 1 103 GLY HA2 0.000 . 8.000 4.829 3.377 6.874 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 PHE QD 1 104 HIS HA 0.000 . 5.500 3.883 3.022 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 PHE QD 1 104 HIS H 0.000 . 7.000 4.156 3.096 5.546 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 PHE QD 1 105 VAL HA 0.000 . 7.000 5.217 4.413 6.424 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 PHE QD 1 105 VAL MG2 0.000 . 6.000 2.693 2.146 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 PHE QD 1 105 VAL H 0.000 . 5.500 4.101 3.678 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 PHE QE 1 6 VAL MG2 0.000 . 8.500 5.331 4.303 6.032 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 PHE QE 1 20 VAL MG1 0.000 . 6.000 2.627 1.934 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 4 PHE QE 1 20 VAL MG2 0.000 . 6.000 3.589 2.404 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 PHE QE 1 22 VAL QG 0.000 . 7.900 3.281 2.795 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 4 PHE QE 1 33 ILE HB 0.000 . 5.500 4.070 3.148 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 4 PHE QE 1 33 ILE MD 0.000 . 6.000 2.224 1.818 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 4 PHE QE 1 34 ALA H 0.000 . 7.000 5.787 5.184 6.160 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 4 PHE QE 1 93 LEU QB 0.000 . 6.500 4.243 3.094 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 4 PHE QE 1 93 LEU HG 0.000 . 7.000 3.617 2.672 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 4 PHE QE 1 94 GLY HA3 0.000 . 7.000 4.779 3.799 5.819 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 4 PHE QE 1 94 GLY HA2 0.000 . 5.500 3.151 2.130 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 4 PHE QE 1 95 ALA H 0.000 . 5.500 3.931 2.438 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 4 PHE QE 1 105 VAL HB 0.000 . 5.500 3.478 2.050 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 4 PHE HZ 1 20 VAL MG1 0.000 . 6.500 3.820 3.393 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 4 PHE HZ 1 20 VAL MG2 0.000 . 5.000 3.824 3.475 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 4 PHE HZ 1 33 ILE MD 0.000 . 4.400 2.530 1.915 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 4 PHE HZ 1 93 LEU QB 0.000 . 6.000 4.312 3.748 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 4 PHE HZ 1 93 LEU HG 0.000 . 3.500 2.811 2.083 3.527 0.027 21 0 "[ . 1 . 2 . 3]" 1
69 1 4 PHE HZ 1 105 VAL MG2 0.000 . 6.500 3.881 3.071 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 SER HA 1 6 VAL H 0.000 . 2.500 2.355 2.265 2.501 0.001 19 0 "[ . 1 . 2 . 3]" 1
71 1 5 SER HA 1 105 VAL MG1 0.000 . 5.000 3.829 3.514 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 SER HA 1 105 VAL MG2 0.000 . 4.400 2.386 1.758 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 SER H 1 5 SER QB 0.000 . 3.500 2.707 2.410 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 5 SER QB 1 6 VAL H 0.000 . 3.900 3.084 2.452 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 5 SER QB 1 105 VAL MG2 0.000 . 8.500 3.943 3.270 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 SER H 1 6 VAL H 0.000 . 5.000 4.432 4.379 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 5 SER H 1 20 VAL MG1 0.000 . 6.500 3.867 3.570 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 5 SER H 1 20 VAL MG2 0.000 . 6.500 5.256 5.040 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 5 SER H 1 21 SER QB 0.000 . 7.000 3.983 3.643 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 SER H 1 21 SER H 0.000 . 3.500 3.175 2.997 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 5 SER H 1 22 VAL HA 0.000 . 5.000 3.775 3.400 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 5 SER H 1 22 VAL QG 0.000 . 7.400 3.651 3.016 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 6 VAL HA 1 7 SER H 0.000 . 2.500 2.353 2.232 2.566 0.066 17 0 "[ . 1 . 2 . 3]" 1
84 1 6 VAL HA 1 19 SER H 0.000 . 5.000 4.829 4.421 5.036 0.036 7 0 "[ . 1 . 2 . 3]" 1
85 1 6 VAL HA 1 20 VAL HA 0.000 . 2.500 2.381 2.174 2.530 0.030 6 0 "[ . 1 . 2 . 3]" 1
86 1 6 VAL HA 1 20 VAL MG1 0.000 . 6.500 4.088 3.819 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 6 VAL HA 1 21 SER H 0.000 . 3.500 3.508 3.230 3.623 0.123 1 0 "[ . 1 . 2 . 3]" 1
88 1 6 VAL H 1 6 VAL HB 0.000 . 2.900 2.809 2.472 2.944 0.044 24 0 "[ . 1 . 2 . 3]" 1
89 1 6 VAL HB 1 93 LEU MD2 0.000 . 5.000 3.637 3.119 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 6 VAL HB 1 105 VAL MG1 0.000 . 4.400 3.250 2.612 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 6 VAL HB 1 105 VAL MG2 0.000 . 5.000 3.200 2.789 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 6 VAL MG1 1 7 SER HA 0.000 . 7.500 4.208 3.882 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 6 VAL MG1 1 7 SER H 0.000 . 5.000 3.504 2.846 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 6 VAL MG1 1 9 ALA MB 0.000 . 5.900 2.160 1.636 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 6 VAL MG1 1 18 VAL HB 0.000 . 6.500 4.285 3.246 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 6 VAL MG1 1 105 VAL HB 0.000 . 5.000 3.346 2.535 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 6 VAL MG1 1 105 VAL MG1 0.000 . 5.900 1.855 1.580 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 6 VAL MG1 1 105 VAL MG2 0.000 . 6.500 2.923 2.438 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 6 VAL MG1 1 107 LEU MD2 0.000 . 5.900 2.721 2.047 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 6 VAL MG2 1 7 SER H 0.000 . 4.400 2.288 1.808 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 6 VAL MG2 1 9 ALA HA 0.000 . 6.500 3.800 3.332 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 6 VAL MG2 1 9 ALA MB 0.000 . 6.500 4.033 3.329 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 6 VAL MG2 1 18 VAL HB 0.000 . 5.000 2.374 1.924 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 6 VAL MG2 1 18 VAL MG1 0.000 . 5.900 3.263 2.812 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 VAL MG2 1 18 VAL MG2 0.000 . 5.900 2.901 2.359 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 VAL MG2 1 19 SER H 0.000 . 7.500 2.908 2.304 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 6 VAL MG2 1 20 VAL HA 0.000 . 6.500 2.859 2.086 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 6 VAL MG2 1 21 SER H 0.000 . 7.500 4.640 3.721 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 6 VAL MG2 1 105 VAL HB 0.000 . 6.500 4.891 3.995 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 6 VAL MG2 1 107 LEU MD2 0.000 . 5.900 3.467 2.778 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 6 VAL H 1 105 VAL MG1 0.000 . 5.000 3.039 2.597 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 6 VAL H 1 105 VAL MG2 0.000 . 5.000 2.818 2.053 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 7 SER QB 1 8 PRO HA 0.000 . 4.500 3.874 3.754 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 7 SER QB 1 19 SER H 0.000 . 6.000 3.024 2.094 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 7 SER H 1 20 VAL HA 0.000 . 5.000 3.863 3.434 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 8 PRO HA 1 9 ALA MB 0.000 . 6.500 4.135 3.903 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 8 PRO HA 1 9 ALA H 0.000 . 3.500 2.660 2.252 3.558 0.058 30 0 "[ . 1 . 2 . 3]" 1
118 1 8 PRO HA 1 10 SER H 0.000 . 5.000 3.359 3.115 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 8 PRO QB 1 9 ALA H 0.000 . 4.500 3.525 1.959 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 8 PRO QB 1 10 SER H 0.000 . 4.500 3.509 2.333 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 8 PRO QB 1 12 LEU MD2 0.000 . 7.500 1.978 1.708 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 8 PRO QB 1 18 VAL MG1 0.000 . 7.500 3.124 2.132 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 8 PRO QD 1 18 VAL HA 0.000 . 6.000 3.444 2.973 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 8 PRO QD 1 18 VAL HB 0.000 . 4.500 3.105 2.342 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 8 PRO QD 1 18 VAL MG1 0.000 . 6.000 3.682 2.832 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 8 PRO QD 1 19 SER H 0.000 . 7.000 2.297 1.828 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 8 PRO QG 1 10 SER H 0.000 . 6.000 4.966 3.718 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 8 PRO QG 1 12 LEU MD1 0.000 . 7.500 4.152 3.536 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 8 PRO QG 1 12 LEU MD2 0.000 . 6.000 2.574 1.790 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 8 PRO QG 1 16 GLN QE 0.000 . 5.500 3.750 2.582 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 8 PRO QG 1 18 VAL MG1 0.000 . 5.400 2.170 1.694 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 9 ALA HA 1 10 SER HA 0.000 . 6.000 4.527 4.479 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 9 ALA HA 1 10 SER H 0.000 . 5.000 3.315 3.026 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 9 ALA HA 1 12 LEU MD1 0.000 . 4.400 3.271 2.958 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 9 ALA HA 1 12 LEU MD2 0.000 . 5.000 3.889 3.424 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 9 ALA HA 1 105 VAL MG1 0.000 . 5.000 3.122 2.783 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 9 ALA HA 1 105 VAL MG2 0.000 . 6.500 5.329 5.097 5.416 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 9 ALA HA 1 107 LEU HA 0.000 . 5.000 3.677 3.113 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 9 ALA HA 1 107 LEU MD1 0.000 . 6.500 5.040 4.346 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 9 ALA HA 1 107 LEU MD2 0.000 . 5.000 2.546 1.878 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 9 ALA MB 1 10 SER H 0.000 . 5.000 3.204 2.780 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 9 ALA MB 1 12 LEU MD1 0.000 . 6.500 4.370 4.141 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 9 ALA MB 1 105 VAL MG1 0.000 . 5.900 2.354 2.003 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 9 ALA MB 1 107 LEU MD2 0.000 . 5.900 3.444 3.050 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 9 ALA H 1 10 SER H 0.000 . 2.500 2.452 2.222 2.621 0.121 30 0 "[ . 1 . 2 . 3]" 1
146 1 10 SER HA 1 11 GLY QA 0.000 . 4.500 4.063 3.971 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 10 SER HA 1 11 GLY H 0.000 . 2.900 2.321 2.208 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 10 SER HA 1 12 LEU HG 0.000 . 5.000 3.727 2.894 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 10 SER HA 1 12 LEU H 0.000 . 5.000 4.213 3.525 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 10 SER HA 1 108 THR HB 0.000 . 2.500 2.358 1.889 2.565 0.065 8 0 "[ . 1 . 2 . 3]" 1
151 1 10 SER HA 1 108 THR MG 0.000 . 5.000 4.006 3.367 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 10 SER HA 1 108 THR H 0.000 . 2.900 2.529 1.908 2.912 0.012 14 0 "[ . 1 . 2 . 3]" 1
153 1 10 SER H 1 10 SER QB 0.000 . 3.500 2.808 2.385 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 10 SER QB 1 108 THR MG 0.000 . 7.500 3.870 3.107 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 10 SER H 1 12 LEU MD2 0.000 . 6.500 3.655 2.186 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 11 GLY QA 1 12 LEU H 0.000 . 4.500 2.564 2.352 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 11 GLY H 1 12 LEU HG 0.000 . 5.000 3.601 2.843 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 11 GLY H 1 12 LEU H 0.000 . 2.900 2.756 2.211 2.958 0.058 12 0 "[ . 1 . 2 . 3]" 1
159 1 11 GLY H 1 108 THR HB 0.000 . 3.500 2.604 1.874 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 11 GLY H 1 108 THR H 0.000 . 5.000 3.758 3.022 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 11 GLY H 1 109 PHE HA 0.000 . 5.000 3.521 2.788 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 12 LEU HA 1 12 LEU MD2 0.000 . 4.400 2.432 1.863 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 12 LEU HA 1 13 SER H 0.000 . 2.500 2.452 2.242 2.555 0.055 16 0 "[ . 1 . 2 . 3]" 1
164 1 12 LEU HA 1 109 PHE QD 0.000 . 8.000 5.477 4.787 6.147 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 12 LEU QB 1 13 SER H 0.000 . 6.000 2.582 2.271 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 12 LEU QB 1 109 PHE HA 0.000 . 6.000 3.909 3.181 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 12 LEU QB 1 109 PHE QD 0.000 . 8.000 3.726 3.232 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 12 LEU H 1 12 LEU MD1 0.000 . 5.000 3.160 2.037 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 12 LEU MD1 1 13 SER H 0.000 . 6.500 4.774 4.408 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 12 LEU MD1 1 67 VAL MG1 0.000 . 5.900 3.205 2.408 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 12 LEU MD1 1 67 VAL MG2 0.000 . 5.900 3.268 2.559 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 LEU MD1 1 107 LEU HA 0.000 . 6.500 3.009 2.492 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 12 LEU MD1 1 107 LEU QB 0.000 . 6.000 2.262 1.821 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 12 LEU MD1 1 107 LEU MD1 0.000 . 5.500 3.036 2.453 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 12 LEU MD1 1 107 LEU MD2 0.000 . 5.500 2.045 1.615 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 LEU MD1 1 107 LEU HG 0.000 . 6.500 4.204 3.833 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 12 LEU MD1 1 109 PHE QD 0.000 . 7.000 4.066 3.433 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 12 LEU MD1 1 109 PHE QE 0.000 . 7.000 3.418 2.270 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 12 LEU H 1 12 LEU MD2 0.000 . 5.000 3.831 3.168 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 12 LEU MD2 1 13 SER H 0.000 . 5.000 3.613 3.016 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 LEU MD2 1 16 GLN QE 0.000 . 6.000 2.919 1.830 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 12 LEU MD2 1 16 GLN QG 0.000 . 7.500 4.023 2.815 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 LEU MD2 1 67 VAL MG1 0.000 . 8.000 3.038 2.041 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 LEU MD2 1 67 VAL MG2 0.000 . 6.500 2.656 2.042 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 12 LEU H 1 12 LEU HG 0.000 . 2.900 2.537 2.023 2.931 0.031 17 0 "[ . 1 . 2 . 3]" 1
186 1 12 LEU H 1 109 PHE HA 0.000 . 2.900 2.686 2.207 2.956 0.056 3 0 "[ . 1 . 2 . 3]" 1
187 1 12 LEU H 1 109 PHE QD 0.000 . 7.000 3.954 3.477 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 12 LEU H 1 110 GLY H 0.000 . 5.000 3.838 3.116 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 13 SER H 1 13 SER HA 0.000 . 2.900 2.982 2.961 2.991 0.091 7 0 "[ . 1 . 2 . 3]" 1
190 1 13 SER HA 1 14 ASP H 0.000 . 2.500 2.354 2.256 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 13 SER HA 1 109 PHE QD 0.000 . 7.000 3.519 2.091 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 13 SER H 1 13 SER QB 0.000 . 3.100 2.424 2.245 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 13 SER QB 1 14 ASP H 0.000 . 4.500 3.148 2.637 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 13 SER QB 1 16 GLN QG 0.000 . 5.500 3.235 2.192 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 13 SER H 1 14 ASP H 0.000 . 5.000 4.484 4.402 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 13 SER H 1 16 GLN QB 0.000 . 6.000 2.220 1.902 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 13 SER H 1 16 GLN QE 0.000 . 6.000 3.610 1.905 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 13 SER H 1 109 PHE QD 0.000 . 7.000 5.252 3.972 5.999 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 13 SER H 1 109 PHE QE 0.000 . 7.000 3.954 2.958 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 ASP HA 1 15 GLY H 0.000 . 2.900 2.219 2.196 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 14 ASP HA 1 16 GLN H 0.000 . 5.000 3.780 3.579 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 14 ASP HA 1 68 ARG HA 0.000 . 3.500 2.080 1.838 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 14 ASP HA 1 69 LYS QB 0.000 . 6.000 3.155 2.832 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 ASP HA 1 69 LYS QG 0.000 . 6.000 5.103 4.026 5.420 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 14 ASP HA 1 69 LYS H 0.000 . 3.500 2.073 1.835 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 14 ASP HA 1 109 PHE QD 0.000 . 8.000 5.943 4.804 6.464 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 14 ASP HA 1 109 PHE QE 0.000 . 7.000 3.882 3.049 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 14 ASP H 1 14 ASP QB 0.000 . 3.100 2.301 1.920 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 14 ASP QB 1 15 GLY H 0.000 . 6.000 3.622 3.275 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 ASP QB 1 69 LYS HA 0.000 . 6.000 4.254 3.819 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 14 ASP QB 1 69 LYS QB 0.000 . 5.500 1.999 1.724 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 14 ASP QB 1 69 LYS QG 0.000 . 5.500 3.918 3.101 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 14 ASP QB 1 69 LYS H 0.000 . 4.500 2.328 1.928 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 14 ASP QB 1 70 SER H 0.000 . 7.000 3.525 2.581 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 14 ASP H 1 68 ARG HA 0.000 . 5.000 4.870 4.588 5.029 0.029 29 0 "[ . 1 . 2 . 3]" 1
216 1 14 ASP H 1 69 LYS QB 0.000 . 6.000 2.937 2.507 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 14 ASP H 1 69 LYS QG 0.000 . 6.000 4.607 3.040 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 15 GLY H 1 15 GLY HA3 0.000 . 2.900 2.956 2.935 2.977 0.077 29 0 "[ . 1 . 2 . 3]" 1
219 1 15 GLY HA3 1 16 GLN H 0.000 . 2.900 2.935 2.782 3.014 0.114 27 0 "[ . 1 . 2 . 3]" 1
220 1 15 GLY HA3 1 66 VAL MG1 0.000 . 5.000 4.211 3.869 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 15 GLY H 1 15 GLY HA2 0.000 . 2.900 2.422 2.383 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 15 GLY HA2 1 16 GLN H 0.000 . 5.000 3.518 3.483 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 15 GLY HA2 1 66 VAL MG1 0.000 . 5.000 2.958 2.611 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 15 GLY HA2 1 68 ARG HA 0.000 . 5.000 4.449 4.013 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 15 GLY H 1 16 GLN H 0.000 . 2.900 2.868 2.551 2.949 0.049 6 0 "[ . 1 . 2 . 3]" 1
226 1 15 GLY H 1 66 VAL MG1 0.000 . 6.500 3.724 3.326 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 15 GLY H 1 68 ARG HA 0.000 . 3.500 2.397 1.915 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 15 GLY H 1 68 ARG QD 0.000 . 6.000 3.621 1.966 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 15 GLY H 1 69 LYS H 0.000 . 5.000 3.911 3.559 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 15 GLY H 1 109 PHE QE 0.000 . 7.000 5.524 4.503 6.105 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 GLN HA 1 16 GLN QG 0.000 . 3.500 2.387 2.044 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 16 GLN HA 1 17 SER HA 0.000 . 5.000 4.456 4.441 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 GLN HA 1 17 SER H 0.000 . 2.900 2.295 2.220 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 16 GLN H 1 16 GLN QB 0.000 . 3.500 2.110 1.956 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 16 GLN QB 1 17 SER H 0.000 . 6.000 3.552 3.142 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 16 GLN H 1 16 GLN QG 0.000 . 4.500 3.824 3.259 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 16 GLN QG 1 17 SER H 0.000 . 3.900 2.369 1.892 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 16 GLN QG 1 18 VAL MG1 0.000 . 6.000 3.747 2.831 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 16 GLN QG 1 67 VAL MG2 0.000 . 6.000 3.810 2.216 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 16 GLN H 1 66 VAL MG1 0.000 . 7.500 4.426 4.155 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 16 GLN H 1 67 VAL MG2 0.000 . 5.000 3.625 3.385 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 16 GLN H 1 67 VAL H 0.000 . 6.000 4.744 4.551 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 SER HA 1 18 VAL HA 0.000 . 5.000 4.515 4.469 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 SER HA 1 18 VAL H 0.000 . 2.500 2.333 2.204 2.591 0.091 20 0 "[ . 1 . 2 . 3]" 1
245 1 17 SER HA 1 66 VAL HA 0.000 . 2.900 2.108 1.852 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 17 SER HA 1 67 VAL H 0.000 . 3.500 3.425 3.147 3.555 0.055 19 0 "[ . 1 . 2 . 3]" 1
247 1 17 SER H 1 17 SER QB 0.000 . 3.100 2.285 2.013 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 SER QB 1 18 VAL H 0.000 . 4.500 3.141 2.199 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 SER QB 1 66 VAL MG2 0.000 . 6.000 3.434 2.463 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 SER H 1 18 VAL H 0.000 . 5.000 4.546 4.440 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 18 VAL HA 1 18 VAL HB 0.000 . 2.900 2.530 2.472 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 VAL HA 1 19 SER H 0.000 . 3.500 2.444 2.292 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 VAL HB 1 19 SER H 0.000 . 2.900 2.632 2.254 2.963 0.063 29 0 "[ . 1 . 2 . 3]" 1
254 1 18 VAL MG1 1 19 SER H 0.000 . 5.000 3.749 3.603 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 VAL MG1 1 67 VAL MG1 0.000 . 5.500 1.903 1.637 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 VAL MG1 1 67 VAL MG2 0.000 . 5.500 2.103 1.728 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 VAL MG1 1 67 VAL H 0.000 . 5.000 3.746 3.380 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 VAL H 1 18 VAL MG2 0.000 . 4.400 1.949 1.804 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 VAL MG2 1 19 SER H 0.000 . 6.500 3.622 3.193 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 VAL MG2 1 65 PHE QD 0.000 . 6.400 2.132 1.862 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 VAL MG2 1 65 PHE QE 0.000 . 8.500 3.816 3.716 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 VAL MG2 1 65 PHE H 0.000 . 4.400 2.690 2.136 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 VAL MG2 1 65 PHE HZ 0.000 . 6.500 5.494 5.423 5.602 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 18 VAL MG2 1 67 VAL MG1 0.000 . 5.900 1.910 1.700 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 18 VAL MG2 1 67 VAL H 0.000 . 5.000 3.786 3.223 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 18 VAL H 1 20 VAL MG2 0.000 . 7.500 5.183 4.682 5.598 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 18 VAL H 1 64 SER HA 0.000 . 5.000 4.902 4.291 5.125 0.125 19 0 "[ . 1 . 2 . 3]" 1
268 1 18 VAL H 1 65 PHE H 0.000 . 3.500 3.298 2.514 3.610 0.110 8 0 "[ . 1 . 2 . 3]" 1
269 1 18 VAL H 1 66 VAL HA 0.000 . 3.500 2.910 2.382 3.552 0.052 27 0 "[ . 1 . 2 . 3]" 1
270 1 18 VAL H 1 67 VAL H 0.000 . 6.000 4.521 3.966 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 SER HA 1 20 VAL MG2 0.000 . 5.000 3.965 3.728 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 SER HA 1 20 VAL H 0.000 . 2.900 2.201 2.156 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 SER HA 1 63 PHE H 0.000 . 6.000 5.109 4.568 5.429 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 19 SER HA 1 64 SER HA 0.000 . 2.900 2.617 2.123 2.984 0.084 10 0 "[ . 1 . 2 . 3]" 1
275 1 19 SER HA 1 65 PHE H 0.000 . 5.000 3.356 2.802 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 19 SER H 1 19 SER QB 0.000 . 3.500 2.530 2.172 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 19 SER QB 1 20 VAL H 0.000 . 3.900 3.498 3.243 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 19 SER H 1 20 VAL HA 0.000 . 6.000 4.933 4.613 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 20 VAL HA 1 21 SER H 0.000 . 2.500 2.292 2.233 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 20 VAL HB 1 62 SER HA 0.000 . 5.000 4.796 4.325 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 20 VAL HB 1 63 PHE H 0.000 . 3.500 3.420 3.138 3.561 0.061 25 0 "[ . 1 . 2 . 3]" 1
282 1 20 VAL MG1 1 21 SER H 0.000 . 4.400 2.220 1.912 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 20 VAL MG1 1 63 PHE QD 0.000 . 6.400 3.771 3.436 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 20 VAL MG1 1 63 PHE H 0.000 . 5.000 3.518 3.186 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 20 VAL MG1 1 63 PHE HZ 0.000 . 4.000 2.471 2.063 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 20 VAL MG2 1 21 SER H 0.000 . 4.400 3.670 3.600 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 20 VAL MG2 1 63 PHE QD 0.000 . 7.000 4.466 3.910 5.039 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 20 VAL MG2 1 63 PHE QE 0.000 . 6.000 3.459 2.406 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 20 VAL MG2 1 63 PHE H 0.000 . 6.500 4.891 4.684 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 20 VAL MG2 1 64 SER HA 0.000 . 6.500 4.721 4.178 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 VAL MG2 1 65 PHE QB 0.000 . 6.000 2.386 1.978 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 20 VAL MG2 1 65 PHE H 0.000 . 5.000 3.861 3.508 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 20 VAL H 1 62 SER HA 0.000 . 5.000 4.992 4.723 5.101 0.101 7 0 "[ . 1 . 2 . 3]" 1
294 1 20 VAL H 1 63 PHE H 0.000 . 3.500 3.465 3.238 3.592 0.092 26 0 "[ . 1 . 2 . 3]" 1
295 1 20 VAL H 1 64 SER HA 0.000 . 3.500 3.238 2.964 3.501 0.001 14 0 "[ . 1 . 2 . 3]" 1
296 1 21 SER HA 1 22 VAL H 0.000 . 2.500 2.210 2.191 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 21 SER HA 1 61 ALA H 0.000 . 6.000 4.868 4.297 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 21 SER HA 1 62 SER HA 0.000 . 2.900 2.006 1.842 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 21 SER HA 1 63 PHE H 0.000 . 3.500 3.573 3.509 3.651 0.151 19 0 "[ . 1 . 2 . 3]" 1
300 1 21 SER QB 1 22 VAL H 0.000 . 6.000 3.555 3.190 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 21 SER H 1 22 VAL QG 0.000 . 8.400 3.583 3.308 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 21 SER H 1 22 VAL H 0.000 . 6.000 4.224 4.052 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 22 VAL HA 1 23 SER H 0.000 . 2.500 2.271 2.215 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 22 VAL H 1 22 VAL HB 0.000 . 2.900 2.478 2.270 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 22 VAL HB 1 60 ALA HA 0.000 . 5.000 4.106 3.727 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 22 VAL HB 1 61 ALA MB 0.000 . 5.000 1.923 1.777 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 22 VAL HB 1 61 ALA H 0.000 . 3.500 2.319 1.949 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 22 VAL QG 1 23 SER H 0.000 . 5.300 2.435 1.959 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 22 VAL QG 1 25 ALA MB 0.000 . 6.400 3.055 2.733 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 22 VAL QG 1 53 PHE QD 0.000 . 9.400 3.921 3.106 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 22 VAL QG 1 53 PHE QE 0.000 . 7.300 2.526 2.094 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 VAL QG 1 53 PHE HZ 0.000 . 5.300 2.982 2.438 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 22 VAL QG 1 60 ALA HA 0.000 . 5.900 3.821 3.047 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 22 VAL QG 1 61 ALA H 0.000 . 5.900 3.089 2.613 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 22 VAL QG 1 63 PHE QE 0.000 . 7.900 2.807 2.072 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 22 VAL QG 1 102 LEU MD1 0.000 . 6.800 2.754 2.012 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 22 VAL H 1 61 ALA H 0.000 . 3.500 2.914 2.382 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 22 VAL H 1 62 SER HA 0.000 . 3.500 3.034 2.754 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 22 VAL H 1 62 SER QB 0.000 . 6.000 3.784 2.943 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 23 SER HA 1 24 GLY H 0.000 . 2.900 2.260 2.170 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 23 SER HA 1 60 ALA HA 0.000 . 2.900 2.542 2.182 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 23 SER HA 1 60 ALA MB 0.000 . 4.400 3.394 2.506 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 23 SER HA 1 61 ALA H 0.000 . 5.000 3.863 3.616 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 23 SER QB 1 24 GLY H 0.000 . 3.900 3.362 2.423 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 23 SER QB 1 60 ALA MB 0.000 . 6.000 3.758 2.629 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 23 SER H 1 24 GLY H 0.000 . 5.000 4.148 3.322 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 23 SER H 1 60 ALA HA 0.000 . 5.000 4.755 4.401 5.037 0.037 27 0 "[ . 1 . 2 . 3]" 1
328 1 24 GLY QA 1 25 ALA H 0.000 . 4.500 2.621 2.339 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 24 GLY H 1 25 ALA H 0.000 . 3.500 2.836 1.856 3.566 0.066 6 0 "[ . 1 . 2 . 3]" 1
330 1 24 GLY H 1 60 ALA HA 0.000 . 5.000 3.951 3.457 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 24 GLY H 1 60 ALA MB 0.000 . 6.500 4.520 3.851 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 25 ALA H 1 25 ALA HA 0.000 . 2.900 2.847 2.741 2.988 0.088 11 0 "[ . 1 . 2 . 3]" 1
333 1 25 ALA HA 1 26 ALA H 0.000 . 3.500 2.919 2.235 3.575 0.075 8 0 "[ . 1 . 2 . 3]" 1
334 1 25 ALA HA 1 100 LEU MD1 0.000 . 6.500 4.689 3.121 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 25 ALA H 1 25 ALA MB 0.000 . 3.600 2.088 1.900 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 25 ALA MB 1 26 ALA H 0.000 . 4.000 2.140 1.803 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 25 ALA MB 1 29 GLU QG 0.000 . 6.000 3.869 3.222 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 26 ALA HA 1 27 ALA H 0.000 . 2.500 2.332 2.141 2.522 0.022 5 0 "[ . 1 . 2 . 3]" 1
339 1 26 ALA HA 1 28 GLY H 0.000 . 6.000 6.016 5.736 6.151 0.151 13 0 "[ . 1 . 2 . 3]" 1
340 1 26 ALA HA 1 55 THR HG1 0.000 . 5.000 4.002 3.576 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 26 ALA HA 1 56 ASP H 0.000 . 3.500 3.668 3.601 3.742 0.242 23 0 "[ . 1 . 2 . 3]" 1
342 1 26 ALA HA 1 59 GLY H 0.000 . 5.000 3.096 2.191 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 26 ALA MB 1 27 ALA H 0.000 . 4.400 2.726 2.383 3.078 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 27 ALA H 1 27 ALA HA 0.000 . 2.900 2.757 2.689 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 27 ALA HA 1 28 GLY H 0.000 . 2.900 2.208 2.193 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 27 ALA HA 1 29 GLU H 0.000 . 3.500 3.405 3.220 3.529 0.029 1 0 "[ . 1 . 2 . 3]" 1
347 1 27 ALA HA 1 55 THR HG1 0.000 . 3.500 2.637 1.847 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 27 ALA MB 1 28 GLY H 0.000 . 4.400 3.159 2.962 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 27 ALA MB 1 58 SER H 0.000 . 6.500 4.875 3.343 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 27 ALA MB 1 59 GLY H 0.000 . 5.000 3.931 3.694 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 28 GLY H 1 28 GLY HA3 0.000 . 2.900 2.974 2.960 2.981 0.081 28 0 "[ . 1 . 2 . 3]" 1
352 1 28 GLY HA3 1 54 THR MG 0.000 . 7.500 5.297 4.773 6.196 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 28 GLY H 1 28 GLY HA2 0.000 . 2.900 2.510 2.411 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 28 GLY HA2 1 29 GLU H 0.000 . 3.500 3.217 3.040 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 28 GLY HA2 1 54 THR MG 0.000 . 6.500 4.433 3.798 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 28 GLY H 1 29 GLU HA 0.000 . 6.000 4.685 4.478 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 28 GLY H 1 29 GLU H 0.000 . 2.900 1.961 1.807 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 28 GLY H 1 54 THR MG 0.000 . 6.500 3.098 2.570 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 28 GLY H 1 55 THR HG1 0.000 . 3.500 3.196 2.725 3.557 0.057 28 0 "[ . 1 . 2 . 3]" 1
360 1 29 GLU HA 1 30 THR H 0.000 . 2.500 2.215 2.189 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 29 GLU HA 1 31 TYR QE 0.000 . 5.500 4.482 3.865 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 29 GLU H 1 29 GLU QB 0.000 . 3.500 2.593 2.409 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 29 GLU QB 1 31 TYR QD 0.000 . 6.500 4.090 3.848 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 29 GLU QB 1 31 TYR QE 0.000 . 5.900 2.517 2.057 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 29 GLU QB 1 55 THR HG1 0.000 . 6.000 2.879 2.130 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 29 GLU QB 1 55 THR MG 0.000 . 5.400 3.047 2.272 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 29 GLU QG 1 31 TYR QE 0.000 . 6.500 3.795 2.341 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 29 GLU H 1 30 THR H 0.000 . 5.000 4.195 3.942 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 29 GLU H 1 31 TYR QE 0.000 . 5.500 4.674 3.872 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 29 GLU H 1 54 THR MG 0.000 . 6.500 2.996 2.621 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 29 GLU H 1 55 THR HG1 0.000 . 2.900 2.642 2.389 2.939 0.039 26 0 "[ . 1 . 2 . 3]" 1
372 1 29 GLU H 1 55 THR MG 0.000 . 6.500 4.236 3.589 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 29 GLU H 1 55 THR H 0.000 . 3.500 3.549 3.427 3.629 0.129 30 0 "[ . 1 . 2 . 3]" 1
374 1 30 THR HA 1 31 TYR QD 0.000 . 7.000 3.676 2.511 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 30 THR HA 1 31 TYR H 0.000 . 2.900 2.309 2.220 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 30 THR HA 1 54 THR HA 0.000 . 2.900 2.062 1.858 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 30 THR HA 1 54 THR MG 0.000 . 6.500 2.619 2.078 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 30 THR HA 1 55 THR H 0.000 . 3.500 3.543 3.433 3.605 0.105 19 0 "[ . 1 . 2 . 3]" 1
379 1 30 THR H 1 30 THR HB 0.000 . 2.900 2.480 2.259 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 30 THR HB 1 31 TYR QD 0.000 . 8.000 5.353 4.923 5.873 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 30 THR HB 1 54 THR MG 0.000 . 6.500 4.342 3.840 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 30 THR MG 1 31 TYR QD 0.000 . 8.500 4.480 3.655 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 30 THR MG 1 31 TYR H 0.000 . 4.400 2.348 1.819 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 30 THR MG 1 32 TYR QE 0.000 . 7.000 3.220 1.986 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 30 THR MG 1 52 SER QB 0.000 . 6.000 3.255 2.424 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 30 THR MG 1 53 PHE H 0.000 . 5.000 3.435 3.028 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 30 THR MG 1 54 THR HA 0.000 . 6.500 3.233 2.750 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 31 TYR HA 1 32 TYR QD 0.000 . 7.000 3.526 2.313 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 31 TYR HA 1 32 TYR QE 0.000 . 5.500 4.207 2.979 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 31 TYR HA 1 32 TYR H 0.000 . 2.900 2.506 2.268 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 31 TYR HA 1 97 ASN QB 0.000 . 4.500 2.790 1.846 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 31 TYR QB 1 32 TYR H 0.000 . 4.500 2.428 2.091 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 31 TYR QB 1 53 PHE QE 0.000 . 6.500 2.592 2.090 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 31 TYR QB 1 53 PHE HZ 0.000 . 6.000 2.508 2.305 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 31 TYR H 1 31 TYR QD 0.000 . 5.500 2.949 1.952 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 31 TYR QD 1 32 TYR H 0.000 . 5.500 3.978 3.572 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 31 TYR QD 1 53 PHE QE 0.000 . 6.900 2.794 1.879 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 31 TYR QD 1 54 THR HA 0.000 . 7.000 3.447 2.388 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 31 TYR QD 1 54 THR H 0.000 . 7.000 5.355 4.677 5.937 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 31 TYR QD 1 55 THR MG 0.000 . 6.400 3.289 2.653 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 31 TYR QD 1 55 THR H 0.000 . 7.000 3.962 3.260 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 31 TYR QD 1 95 ALA HA 0.000 . 7.000 6.090 5.320 6.623 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 31 TYR QD 1 96 GLY HA2 0.000 . 5.500 2.551 1.868 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 31 TYR QD 1 96 GLY H 0.000 . 7.000 4.332 3.528 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 31 TYR QD 1 97 ASN QB 0.000 . 9.000 3.202 2.071 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 31 TYR QD 1 97 ASN H 0.000 . 5.500 3.223 2.497 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 31 TYR QD 1 100 LEU QB 0.000 . 8.000 3.642 2.955 5.466 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 31 TYR QD 1 100 LEU MD1 0.000 . 8.500 4.086 3.063 6.018 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 31 TYR QD 1 100 LEU MD2 0.000 . 8.500 3.916 2.409 5.991 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 31 TYR QD 1 102 LEU MD1 0.000 . 7.000 2.706 1.851 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 31 TYR QD 1 102 LEU HG 0.000 . 7.000 3.993 2.224 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 31 TYR QE 1 55 THR HG1 0.000 . 5.500 3.806 2.857 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 31 TYR QE 1 55 THR MG 0.000 . 6.000 1.898 1.742 2.073 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 31 TYR QE 1 97 ASN H 0.000 . 7.000 4.384 3.288 5.521 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 31 TYR QE 1 100 LEU QB 0.000 . 5.900 2.706 1.766 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 31 TYR QE 1 100 LEU MD1 0.000 . 6.400 2.424 1.697 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 31 TYR QE 1 100 LEU HG 0.000 . 5.500 3.635 1.983 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 31 TYR QE 1 102 LEU MD1 0.000 . 7.000 3.376 2.689 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 31 TYR QE 1 102 LEU MD2 0.000 . 8.500 3.571 2.371 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 31 TYR H 1 53 PHE H 0.000 . 3.500 3.283 2.678 3.567 0.067 5 0 "[ . 1 . 2 . 3]" 1
421 1 31 TYR H 1 54 THR HA 0.000 . 3.500 2.971 2.525 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 32 TYR HA 1 33 ILE MG 0.000 . 6.500 3.711 3.398 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 32 TYR HA 1 33 ILE H 0.000 . 2.500 2.261 2.219 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 32 TYR HA 1 52 SER HA 0.000 . 2.900 2.083 1.822 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 32 TYR HA 1 52 SER QB 0.000 . 6.000 3.078 2.117 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 32 TYR HA 1 53 PHE H 0.000 . 3.500 3.313 2.991 3.526 0.026 21 0 "[ . 1 . 2 . 3]" 1
427 1 32 TYR QB 1 33 ILE H 0.000 . 4.500 3.502 2.511 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 32 TYR H 1 32 TYR QD 0.000 . 5.500 2.999 2.036 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 32 TYR QD 1 33 ILE H 0.000 . 7.000 4.314 3.541 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 32 TYR QD 1 52 SER HA 0.000 . 7.000 2.965 1.854 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 32 TYR QD 1 52 SER QB 0.000 . 6.500 2.068 1.734 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 32 TYR QD 1 53 PHE H 0.000 . 7.000 4.306 3.118 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 32 TYR QD 1 97 ASN HA 0.000 . 4.900 2.748 1.859 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 32 TYR QD 1 97 ASN QB 0.000 . 8.000 3.436 2.099 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 32 TYR QD 1 97 ASN H 0.000 . 8.000 4.946 3.934 6.085 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 32 TYR QE 1 52 SER QB 0.000 . 6.500 2.540 1.738 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 32 TYR QE 1 97 ASN HA 0.000 . 7.000 3.405 2.570 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 32 TYR QE 1 97 ASN QB 0.000 . 8.000 3.099 2.014 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 32 TYR H 1 53 PHE QE 0.000 . 7.000 3.823 2.826 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 32 TYR H 1 95 ALA MB 0.000 . 6.500 3.822 2.875 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 32 TYR H 1 97 ASN HA 0.000 . 5.000 4.291 3.559 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 33 ILE HA 1 33 ILE HB 0.000 . 2.900 2.485 2.400 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 33 ILE HA 1 34 ALA H 0.000 . 2.500 2.220 2.193 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 33 ILE HA 1 53 PHE QD 0.000 . 7.000 4.977 4.327 5.641 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 33 ILE HA 1 53 PHE QE 0.000 . 7.000 3.519 3.115 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 33 ILE HA 1 95 ALA HA 0.000 . 2.900 2.497 1.887 2.933 0.033 8 0 "[ . 1 . 2 . 3]" 1
447 1 33 ILE HA 1 95 ALA MB 0.000 . 4.400 2.306 1.803 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 33 ILE HA 1 96 GLY H 0.000 . 5.000 4.222 3.353 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 33 ILE HB 1 34 ALA H 0.000 . 5.000 4.439 4.281 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 33 ILE HB 1 53 PHE QD 0.000 . 5.500 3.200 2.452 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 33 ILE HB 1 53 PHE QE 0.000 . 4.500 2.155 1.826 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 33 ILE HB 1 53 PHE HZ 0.000 . 5.000 3.912 3.316 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 33 ILE HB 1 63 PHE HZ 0.000 . 3.500 3.435 3.013 3.568 0.068 13 0 "[ . 1 . 2 . 3]" 1
454 1 33 ILE HB 1 95 ALA HA 0.000 . 5.000 4.326 3.550 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 33 ILE MD 1 63 PHE QD 0.000 . 8.500 4.472 3.762 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 33 ILE MD 1 63 PHE HZ 0.000 . 4.000 2.126 1.839 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 33 ILE MD 1 65 PHE QE 0.000 . 9.500 4.385 3.398 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 33 ILE MD 1 93 LEU MD1 0.000 . 5.900 3.227 2.618 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 33 ILE MD 1 93 LEU MD2 0.000 . 5.900 2.541 1.850 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 33 ILE QG 1 34 ALA H 0.000 . 3.900 2.956 2.409 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 33 ILE QG 1 63 PHE HZ 0.000 . 6.000 4.139 3.610 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 33 ILE QG 1 65 PHE QD 0.000 . 6.500 3.950 3.395 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 33 ILE QG 1 65 PHE QE 0.000 . 9.000 3.706 3.172 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 33 ILE QG 1 93 LEU MD1 0.000 . 6.000 2.226 1.780 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 33 ILE QG 1 95 ALA MB 0.000 . 5.400 2.824 2.224 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 33 ILE H 1 33 ILE MG 0.000 . 4.400 1.890 1.775 2.030 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 33 ILE MG 1 34 ALA H 0.000 . 6.500 4.017 3.699 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 33 ILE MG 1 53 PHE QD 0.000 . 6.000 2.575 1.967 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 33 ILE MG 1 53 PHE QE 0.000 . 6.000 3.190 2.064 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 33 ILE MG 1 53 PHE H 0.000 . 7.500 4.225 3.642 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 33 ILE MG 1 53 PHE HZ 0.000 . 6.500 4.973 4.213 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 33 ILE MG 1 63 PHE HZ 0.000 . 5.000 3.199 2.559 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 33 ILE MG 1 65 PHE QD 0.000 . 6.400 3.465 2.729 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 33 ILE MG 1 65 PHE QE 0.000 . 6.400 3.221 2.345 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 33 ILE MG 1 65 PHE HZ 0.000 . 6.500 4.231 3.458 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 33 ILE H 1 51 THR MG 0.000 . 6.500 3.266 2.605 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 33 ILE H 1 51 THR H 0.000 . 5.000 4.099 3.236 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 33 ILE H 1 52 SER HA 0.000 . 3.500 2.841 1.936 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 33 ILE H 1 53 PHE QD 0.000 . 7.000 2.907 2.283 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 33 ILE H 1 53 PHE QE 0.000 . 8.000 2.957 2.023 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 34 ALA HA 1 35 GLN H 0.000 . 2.900 2.394 2.277 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 34 ALA HA 1 65 PHE QE 0.000 . 5.500 4.119 3.518 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 34 ALA HA 1 65 PHE HZ 0.000 . 3.500 3.381 2.311 3.574 0.074 19 0 "[ . 1 . 2 . 3]" 1
484 1 34 ALA MB 1 35 GLN H 0.000 . 4.400 2.674 2.397 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 34 ALA MB 1 46 ASN H 0.000 . 7.500 4.258 3.412 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 34 ALA MB 1 50 ALA HA 0.000 . 4.400 2.555 1.823 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 34 ALA MB 1 50 ALA MB 0.000 . 5.900 2.968 2.018 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 34 ALA MB 1 51 THR H 0.000 . 5.000 3.514 2.961 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 34 ALA MB 1 65 PHE QE 0.000 . 9.500 5.079 4.408 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 34 ALA MB 1 65 PHE HZ 0.000 . 6.500 4.771 3.894 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 34 ALA H 1 95 ALA HA 0.000 . 3.500 3.470 3.028 3.627 0.127 8 0 "[ . 1 . 2 . 3]" 1
492 1 34 ALA H 1 95 ALA MB 0.000 . 5.000 3.824 3.355 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 35 GLN HA 1 36 CYS H 0.000 . 2.500 2.290 2.205 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 35 GLN HA 1 93 LEU HA 0.000 . 3.500 2.026 1.848 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 35 GLN HA 1 93 LEU MD1 0.000 . 5.000 2.592 2.023 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 35 GLN HA 1 93 LEU MD2 0.000 . 6.500 4.921 4.465 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 35 GLN HA 1 94 GLY H 0.000 . 5.000 3.307 2.698 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 35 GLN QB 1 36 CYS H 0.000 . 7.000 3.397 2.759 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 35 GLN QB 1 65 PHE QD 0.000 . 9.000 5.428 4.140 6.539 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 35 GLN QB 1 65 PHE QE 0.000 . 6.500 3.452 2.075 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 35 GLN QB 1 65 PHE HZ 0.000 . 6.000 3.788 2.708 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 35 GLN QB 1 93 LEU MD1 0.000 . 7.500 2.300 1.767 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 35 GLN QB 1 93 LEU MD2 0.000 . 7.500 4.169 3.115 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 35 GLN QE 1 36 CYS H 0.000 . 7.000 5.028 3.771 5.983 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 35 GLN QE 1 67 VAL HB 0.000 . 7.000 3.426 2.291 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 35 GLN QE 1 68 ARG H 0.000 . 4.500 2.731 1.861 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 35 GLN QE 1 71 TYR QE 0.000 . 8.000 4.069 2.116 6.102 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 35 GLN QE 1 91 CYS QB 0.000 . 7.000 3.682 1.832 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 35 GLN QE 1 109 PHE HZ 0.000 . 6.000 4.326 2.835 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 35 GLN QG 1 36 CYS H 0.000 . 6.000 3.011 2.031 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 35 GLN H 1 36 CYS H 0.000 . 5.000 4.514 4.398 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 35 GLN H 1 50 ALA MB 0.000 . 7.500 5.082 3.907 5.950 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 35 GLN H 1 65 PHE QE 0.000 . 7.000 4.671 3.977 5.397 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 35 GLN H 1 65 PHE HZ 0.000 . 5.000 3.887 3.156 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 36 CYS HA 1 37 ALA H 0.000 . 2.900 2.398 2.220 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 36 CYS HA 1 45 CYS HA 0.000 . 2.900 2.204 1.848 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 36 CYS HA 1 45 CYS QB 0.000 . 7.000 4.093 3.370 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 36 CYS HA 1 46 ASN H 0.000 . 5.000 3.186 2.757 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 36 CYS HA 1 71 TYR HH 0.000 . 2.900 2.476 1.875 2.985 0.085 11 0 "[ . 1 . 2 . 3]" 1
520 1 36 CYS QB 1 37 ALA H 0.000 . 3.900 2.691 2.326 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 36 CYS QB 1 44 ALA H 0.000 . 6.000 4.337 3.702 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 36 CYS QB 1 45 CYS HA 0.000 . 6.000 2.720 2.038 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 36 CYS QB 1 71 TYR HH 0.000 . 4.500 3.842 3.253 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 36 CYS H 1 91 CYS HA 0.000 . 5.000 4.796 4.212 5.077 0.077 14 0 "[ . 1 . 2 . 3]" 1
525 1 36 CYS H 1 92 ASN H 0.000 . 3.500 3.265 2.685 3.537 0.037 23 0 "[ . 1 . 2 . 3]" 1
526 1 36 CYS H 1 93 LEU HA 0.000 . 3.500 3.468 3.138 3.618 0.118 5 0 "[ . 1 . 2 . 3]" 1
527 1 36 CYS H 1 94 GLY H 0.000 . 5.000 4.465 3.791 5.003 0.003 21 0 "[ . 1 . 2 . 3]" 1
528 1 37 ALA HA 1 38 PRO QD 0.000 . 4.500 2.106 1.988 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 37 ALA HA 1 38 PRO QG 0.000 . 6.000 4.034 3.908 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 37 ALA HA 1 89 ALA MB 0.000 . 6.500 5.043 4.243 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 37 ALA HA 1 91 CYS HA 0.000 . 3.500 3.105 2.483 3.540 0.040 15 0 "[ . 1 . 2 . 3]" 1
532 1 37 ALA HA 1 92 ASN H 0.000 . 5.000 3.725 3.039 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 37 ALA MB 1 38 PRO QD 0.000 . 6.000 2.140 1.801 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 37 ALA MB 1 71 TYR QE 0.000 . 8.500 2.826 2.026 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 37 ALA MB 1 71 TYR HH 0.000 . 5.000 3.043 2.417 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 37 ALA MB 1 84 VAL MG1 0.000 . 5.500 2.220 1.636 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 37 ALA MB 1 86 CYS HA 0.000 . 5.000 3.923 3.172 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 37 ALA MB 1 91 CYS HA 0.000 . 4.400 2.448 1.878 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 37 ALA MB 1 92 ASN H 0.000 . 5.000 3.780 3.391 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 37 ALA H 1 44 ALA H 0.000 . 3.500 3.488 3.350 3.608 0.108 8 0 "[ . 1 . 2 . 3]" 1
541 1 37 ALA H 1 45 CYS HA 0.000 . 3.500 3.246 2.587 3.534 0.034 2 0 "[ . 1 . 2 . 3]" 1
542 1 37 ALA H 1 71 TYR HH 0.000 . 2.900 2.264 1.852 2.934 0.034 13 0 "[ . 1 . 2 . 3]" 1
543 1 38 PRO HA 1 38 PRO HB3 0.000 . 2.900 2.302 2.291 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 38 PRO HA 1 39 VAL H 0.000 . 2.500 2.436 2.293 2.548 0.048 5 0 "[ . 1 . 2 . 3]" 1
545 1 38 PRO HA 1 43 ASP HA 0.000 . 2.900 2.149 1.825 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 38 PRO HA 1 44 ALA H 0.000 . 5.000 3.217 2.771 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 38 PRO HB3 1 39 VAL H 0.000 . 3.500 3.552 3.450 3.700 0.200 23 0 "[ . 1 . 2 . 3]" 1
548 1 38 PRO HB2 1 39 VAL H 0.000 . 5.000 2.720 2.468 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 38 PRO QD 1 89 ALA MB 0.000 . 7.500 3.123 1.997 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 38 PRO QD 1 90 ALA MB 0.000 . 7.500 3.673 2.726 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 38 PRO QD 1 90 ALA H 0.000 . 4.500 3.277 2.016 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 39 VAL HA 1 40 GLY H 0.000 . 2.500 2.574 2.292 2.796 0.296 24 0 "[ . 1 . 2 . 3]" 1
553 1 39 VAL HA 1 84 VAL HA 0.000 . 5.000 4.885 4.314 5.082 0.082 4 0 "[ . 1 . 2 . 3]" 1
554 1 39 VAL HB 1 42 GLN QB 0.000 . 7.000 4.876 3.339 6.160 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 39 VAL HB 1 44 ALA MB 0.000 . 6.500 3.563 2.025 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 39 VAL QG 1 40 GLY H 0.000 . 5.900 3.147 1.773 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 39 VAL QG 1 42 GLN HA 0.000 . 7.400 3.750 3.323 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 39 VAL QG 1 43 ASP H 0.000 . 5.900 3.072 2.334 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 39 VAL QG 1 44 ALA HA 0.000 . 5.300 3.661 3.308 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 39 VAL QG 1 44 ALA MB 0.000 . 6.400 1.979 1.608 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 39 VAL QG 1 44 ALA H 0.000 . 5.900 2.792 1.906 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 39 VAL QG 1 84 VAL HA 0.000 . 7.400 3.544 2.762 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 39 VAL QG 1 84 VAL MG2 0.000 . 6.400 2.052 1.627 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 39 VAL H 1 41 GLY H 0.000 . 5.000 3.393 2.470 5.052 0.052 11 0 "[ . 1 . 2 . 3]" 1
565 1 39 VAL H 1 42 GLN H 0.000 . 3.500 3.532 3.278 3.764 0.264 22 0 "[ . 1 . 2 . 3]" 1
566 1 39 VAL H 1 43 ASP HA 0.000 . 5.000 3.088 1.970 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 39 VAL H 1 44 ALA MB 0.000 . 6.500 4.567 4.082 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 40 GLY QA 1 41 GLY H 0.000 . 3.500 2.827 2.673 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 40 GLY QA 1 42 GLN H 0.000 . 6.000 4.507 3.483 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 40 GLY H 1 41 GLY H 0.000 . 2.900 2.815 2.506 3.016 0.116 24 0 "[ . 1 . 2 . 3]" 1
571 1 40 GLY H 1 42 GLN H 0.000 . 5.000 4.739 4.033 5.129 0.129 23 0 "[ . 1 . 2 . 3]" 1
572 1 41 GLY H 1 41 GLY HA3 0.000 . 2.900 2.730 2.348 2.977 0.077 30 0 "[ . 1 . 2 . 3]" 1
573 1 41 GLY HA3 1 42 GLN H 0.000 . 2.900 2.681 2.440 2.995 0.095 22 0 "[ . 1 . 2 . 3]" 1
574 1 41 GLY H 1 41 GLY HA2 0.000 . 2.900 2.802 2.395 2.959 0.059 23 0 "[ . 1 . 2 . 3]" 1
575 1 41 GLY HA2 1 42 GLN H 0.000 . 3.500 3.562 3.513 3.586 0.086 21 0 "[ . 1 . 2 . 3]" 1
576 1 41 GLY H 1 42 GLN H 0.000 . 2.900 2.586 1.788 2.958 0.058 4 0 "[ . 1 . 2 . 3]" 1
577 1 42 GLN HA 1 43 ASP H 0.000 . 5.000 3.057 2.430 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 42 GLN H 1 42 GLN QB 0.000 . 3.500 2.406 1.960 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 42 GLN QB 1 43 ASP H 0.000 . 3.900 1.970 1.776 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 42 GLN QB 1 75 THR MG 0.000 . 6.000 3.947 2.131 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 42 GLN H 1 42 GLN QG 0.000 . 4.500 3.304 2.166 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 42 GLN QG 1 43 ASP H 0.000 . 4.500 3.514 2.048 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 43 ASP HA 1 44 ALA H 0.000 . 2.900 2.286 2.202 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 43 ASP H 1 43 ASP QB 0.000 . 3.500 2.658 2.187 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 43 ASP QB 1 44 ALA H 0.000 . 4.500 3.309 2.530 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 44 ALA HA 1 45 CYS H 0.000 . 2.500 2.369 2.217 2.544 0.044 15 0 "[ . 1 . 2 . 3]" 1
587 1 44 ALA HA 1 74 SER H 0.000 . 3.500 3.151 2.032 3.509 0.009 17 0 "[ . 1 . 2 . 3]" 1
588 1 44 ALA HA 1 75 THR HA 0.000 . 5.000 4.204 3.155 5.094 0.094 22 0 "[ . 1 . 2 . 3]" 1
589 1 44 ALA HA 1 75 THR MG 0.000 . 6.500 4.505 2.773 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 44 ALA H 1 44 ALA MB 0.000 . 3.600 2.393 1.970 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 44 ALA MB 1 45 CYS H 0.000 . 5.000 2.816 2.342 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 44 ALA MB 1 73 GLY HA3 0.000 . 5.000 2.062 1.703 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 44 ALA MB 1 73 GLY HA2 0.000 . 5.000 2.978 1.992 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 44 ALA MB 1 73 GLY H 0.000 . 6.500 3.994 3.576 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 44 ALA MB 1 74 SER H 0.000 . 7.500 2.585 1.850 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 44 ALA MB 1 84 VAL MG2 0.000 . 5.500 1.954 1.664 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 45 CYS HA 1 46 ASN H 0.000 . 2.900 2.412 2.277 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 45 CYS HA 1 71 TYR QE 0.000 . 5.500 3.533 2.752 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 45 CYS HA 1 71 TYR HH 0.000 . 2.900 2.675 1.936 2.924 0.024 28 0 "[ . 1 . 2 . 3]" 1
600 1 45 CYS QB 1 46 ASN H 0.000 . 4.500 2.921 2.245 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 45 CYS H 1 46 ASN H 0.000 . 5.000 4.495 4.423 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 45 CYS H 1 71 TYR HH 0.000 . 6.000 4.256 3.100 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 45 CYS H 1 73 GLY HA3 0.000 . 5.000 4.019 3.284 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 45 CYS H 1 73 GLY HA2 0.000 . 5.000 3.685 2.982 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 45 CYS H 1 74 SER H 0.000 . 2.900 2.707 2.034 3.137 0.237 22 0 "[ . 1 . 2 . 3]" 1
606 1 46 ASN HA 1 47 PRO QD 0.000 . 4.500 1.928 1.866 2.047 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 46 ASN HA 1 47 PRO QG 0.000 . 6.000 3.846 3.809 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 46 ASN HA 1 71 TYR QD 0.000 . 5.500 3.059 2.307 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 46 ASN QB 1 47 PRO HA 0.000 . 6.000 4.749 4.517 5.001 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 46 ASN QB 1 49 THR HG1 0.000 . 3.900 2.101 1.845 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 46 ASN QD 1 48 ALA MB 0.000 . 7.500 3.244 1.841 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 46 ASN QD 1 48 ALA H 0.000 . 6.000 3.973 2.010 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 46 ASN QD 1 49 THR HG1 0.000 . 4.500 3.152 1.820 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 46 ASN H 1 71 TYR QE 0.000 . 7.000 3.892 2.792 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 46 ASN H 1 71 TYR HH 0.000 . 5.000 3.916 3.018 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 47 PRO HA 1 48 ALA H 0.000 . 3.500 3.534 3.435 3.575 0.075 18 0 "[ . 1 . 2 . 3]" 1
617 1 47 PRO HA 1 50 ALA MB 0.000 . 4.400 2.312 1.826 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 47 PRO QB 1 48 ALA H 0.000 . 6.000 3.154 2.315 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 47 PRO QD 1 71 TYR QD 0.000 . 9.000 3.651 2.695 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 47 PRO QG 1 48 ALA H 0.000 . 4.500 2.455 1.858 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 47 PRO QG 1 74 SER QB 0.000 . 7.000 4.117 2.419 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 48 ALA H 1 48 ALA HA 0.000 . 2.900 2.857 2.822 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 48 ALA HA 1 49 THR H 0.000 . 3.500 3.509 3.315 3.581 0.081 18 0 "[ . 1 . 2 . 3]" 1
624 1 48 ALA HA 1 50 ALA MB 0.000 . 6.500 4.614 4.116 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 48 ALA HA 1 50 ALA H 0.000 . 5.000 3.918 3.615 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 48 ALA H 1 48 ALA MB 0.000 . 3.600 2.042 1.914 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 48 ALA MB 1 49 THR HB 0.000 . 6.500 5.037 4.871 5.190 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 48 ALA MB 1 49 THR MG 0.000 . 5.900 2.953 2.410 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 48 ALA MB 1 49 THR H 0.000 . 4.400 2.666 2.006 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 48 ALA H 1 49 THR H 0.000 . 2.900 2.738 2.593 2.945 0.045 6 0 "[ . 1 . 2 . 3]" 1
631 1 48 ALA H 1 50 ALA H 0.000 . 5.000 4.128 3.729 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 49 THR HA 1 49 THR HB 0.000 . 2.900 2.609 2.475 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 49 THR HA 1 50 ALA H 0.000 . 3.500 3.183 2.898 3.503 0.003 6 0 "[ . 1 . 2 . 3]" 1
634 1 49 THR HB 1 49 THR HG1 0.000 . 2.900 2.206 2.087 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 49 THR H 1 49 THR HG1 0.000 . 5.000 2.910 2.001 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 49 THR MG 1 50 ALA H 0.000 . 6.500 4.299 4.016 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 49 THR MG 1 51 THR HB 0.000 . 7.500 6.014 5.207 6.236 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 49 THR MG 1 65 PHE QD 0.000 . 9.500 5.294 4.422 6.353 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 49 THR MG 1 65 PHE QE 0.000 . 8.500 4.046 3.112 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 49 THR MG 1 65 PHE HZ 0.000 . 7.500 3.879 2.526 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 49 THR MG 1 66 VAL MG1 0.000 . 6.500 3.998 3.170 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 49 THR MG 1 68 ARG QB 0.000 . 6.000 3.603 2.381 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 49 THR MG 1 68 ARG QG 0.000 . 5.400 3.304 2.336 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 49 THR H 1 50 ALA H 0.000 . 2.900 2.565 1.869 2.937 0.037 28 0 "[ . 1 . 2 . 3]" 1
645 1 50 ALA HA 1 51 THR H 0.000 . 2.500 2.271 2.212 2.551 0.051 18 0 "[ . 1 . 2 . 3]" 1
646 1 50 ALA H 1 50 ALA MB 0.000 . 3.600 2.070 1.918 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 50 ALA MB 1 51 THR H 0.000 . 4.400 3.369 2.969 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 50 ALA MB 1 65 PHE QE 0.000 . 9.500 5.745 4.983 6.281 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 50 ALA MB 1 65 PHE HZ 0.000 . 7.500 5.982 5.034 6.308 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 50 ALA H 1 51 THR H 0.000 . 5.000 4.415 3.706 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 51 THR HA 1 51 THR HB 0.000 . 2.900 2.469 2.381 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 51 THR H 1 51 THR HA 0.000 . 2.900 2.963 2.905 2.989 0.089 17 0 "[ . 1 . 2 . 3]" 1
653 1 51 THR HA 1 52 SER H 0.000 . 3.500 2.388 2.208 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 51 THR H 1 51 THR MG 0.000 . 4.400 2.034 1.802 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 51 THR MG 1 52 SER HA 0.000 . 6.500 3.885 3.416 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 51 THR MG 1 53 PHE QD 0.000 . 7.000 3.826 3.010 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 51 THR MG 1 53 PHE QE 0.000 . 8.500 4.948 3.839 5.528 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 51 THR MG 1 63 PHE QE 0.000 . 7.000 3.924 3.063 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 51 THR MG 1 65 PHE QE 0.000 . 7.000 2.198 1.830 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 51 THR MG 1 65 PHE HZ 0.000 . 5.000 3.947 3.737 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 51 THR H 1 65 PHE QE 0.000 . 7.000 4.128 2.987 5.814 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 52 SER HA 1 53 PHE QD 0.000 . 5.500 2.916 2.375 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 52 SER HA 1 53 PHE H 0.000 . 2.500 2.312 2.208 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 52 SER QB 1 53 PHE H 0.000 . 4.500 3.134 2.669 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 53 PHE HA 1 54 THR H 0.000 . 2.900 2.529 2.206 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 53 PHE QB 1 54 THR H 0.000 . 3.900 2.514 2.174 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 53 PHE QB 1 63 PHE QD 0.000 . 6.500 4.183 3.325 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 53 PHE QB 1 63 PHE QE 0.000 . 8.000 3.690 2.838 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 53 PHE H 1 53 PHE QD 0.000 . 5.500 2.257 1.867 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 53 PHE QD 1 54 THR HA 0.000 . 8.000 3.858 2.862 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 53 PHE QD 1 54 THR H 0.000 . 7.000 3.164 2.469 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 53 PHE QD 1 61 ALA MB 0.000 . 6.000 2.349 1.747 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 53 PHE QD 1 63 PHE QE 0.000 . 6.900 3.364 2.736 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 53 PHE QD 1 95 ALA MB 0.000 . 7.000 4.599 3.997 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 53 PHE H 1 53 PHE QE 0.000 . 7.000 3.861 3.632 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 53 PHE QE 1 61 ALA MB 0.000 . 6.400 2.567 1.998 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 53 PHE QE 1 63 PHE QE 0.000 . 6.900 3.645 2.858 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 53 PHE QE 1 95 ALA HA 0.000 . 8.000 4.300 3.447 5.657 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 53 PHE QE 1 95 ALA MB 0.000 . 6.400 2.695 1.988 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 53 PHE QE 1 96 GLY H 0.000 . 7.000 4.362 3.241 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 53 PHE QE 1 102 LEU MD1 0.000 . 6.400 3.475 2.327 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 53 PHE HZ 1 61 ALA MB 0.000 . 7.500 4.340 3.584 5.580 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 53 PHE HZ 1 63 PHE QE 0.000 . 7.000 4.675 3.977 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 53 PHE HZ 1 63 PHE HZ 0.000 . 5.000 4.493 3.663 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 53 PHE HZ 1 95 ALA MB 0.000 . 5.000 2.830 2.218 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 53 PHE HZ 1 102 LEU MD1 0.000 . 4.400 2.745 1.814 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 54 THR H 1 54 THR HA 0.000 . 2.900 2.971 2.944 2.987 0.087 1 0 "[ . 1 . 2 . 3]" 1
688 1 54 THR HA 1 55 THR H 0.000 . 2.500 2.380 2.268 2.505 0.005 14 0 "[ . 1 . 2 . 3]" 1
689 1 54 THR MG 1 55 THR H 0.000 . 4.400 2.041 1.842 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 54 THR MG 1 56 ASP H 0.000 . 6.500 4.878 4.623 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 55 THR HA 1 55 THR HB 0.000 . 2.900 2.656 2.511 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 55 THR HA 1 56 ASP H 0.000 . 2.900 2.854 2.570 2.953 0.053 20 0 "[ . 1 . 2 . 3]" 1
693 1 55 THR HA 1 61 ALA MB 0.000 . 4.400 2.649 1.830 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 55 THR HB 1 55 THR HG1 0.000 . 2.900 2.241 2.071 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 55 THR H 1 55 THR HB 0.000 . 3.500 3.462 3.312 3.523 0.023 8 0 "[ . 1 . 2 . 3]" 1
696 1 55 THR HB 1 56 ASP H 0.000 . 2.900 1.872 1.785 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 55 THR HB 1 59 GLY HA3 0.000 . 3.500 3.489 3.107 3.617 0.117 22 0 "[ . 1 . 2 . 3]" 1
698 1 55 THR HB 1 59 GLY HA2 0.000 . 3.500 1.985 1.848 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 55 THR HB 1 60 ALA H 0.000 . 5.000 4.119 3.182 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 55 THR HG1 1 56 ASP H 0.000 . 6.000 3.774 3.018 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 55 THR HG1 1 59 GLY HA3 0.000 . 5.000 5.077 4.942 5.151 0.151 12 0 "[ . 1 . 2 . 3]" 1
702 1 55 THR H 1 55 THR MG 0.000 . 4.400 2.673 2.008 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 55 THR MG 1 56 ASP H 0.000 . 4.000 3.267 2.706 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 55 THR MG 1 59 GLY HA3 0.000 . 6.500 3.468 2.270 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 55 THR MG 1 59 GLY HA2 0.000 . 5.000 2.843 1.916 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 55 THR H 1 61 ALA MB 0.000 . 6.500 4.480 3.997 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 56 ASP QB 1 57 ALA H 0.000 . 3.900 2.061 1.780 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 56 ASP QB 1 60 ALA H 0.000 . 7.000 2.828 2.170 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 56 ASP H 1 59 GLY H 0.000 . 5.000 2.837 2.479 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 56 ASP H 1 60 ALA HA 0.000 . 5.000 5.050 4.769 5.200 0.200 16 0 "[ . 1 . 2 . 3]" 1
711 1 56 ASP H 1 60 ALA MB 0.000 . 6.500 4.686 4.294 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 56 ASP H 1 60 ALA H 0.000 . 5.000 2.908 2.160 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 56 ASP H 1 61 ALA MB 0.000 . 6.500 4.673 3.988 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 57 ALA H 1 57 ALA HA 0.000 . 2.900 2.844 2.816 2.922 0.022 16 0 "[ . 1 . 2 . 3]" 1
715 1 57 ALA HA 1 58 SER H 0.000 . 3.500 3.433 2.268 3.563 0.063 5 0 "[ . 1 . 2 . 3]" 1
716 1 57 ALA HA 1 59 GLY H 0.000 . 3.500 3.691 3.632 3.845 0.345 25 0 "[ . 1 . 2 . 3]" 1
717 1 57 ALA H 1 57 ALA MB 0.000 . 3.600 2.060 1.913 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 57 ALA MB 1 58 SER H 0.000 . 4.400 2.392 2.066 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 57 ALA MB 1 59 GLY H 0.000 . 6.500 4.018 3.867 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 57 ALA H 1 58 SER H 0.000 . 3.500 2.913 2.646 3.989 0.489 1 0 "[ . 1 . 2 . 3]" 1
721 1 57 ALA H 1 59 GLY H 0.000 . 5.000 3.765 3.465 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 58 SER QB 1 60 ALA MB 0.000 . 7.500 2.968 2.247 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 58 SER H 1 59 GLY H 0.000 . 2.900 2.584 1.715 2.909 0.009 5 0 "[ . 1 . 2 . 3]" 1
724 1 58 SER H 1 60 ALA H 0.000 . 5.000 3.747 3.169 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 59 GLY H 1 59 GLY HA3 0.000 . 2.900 2.846 2.770 2.928 0.028 1 0 "[ . 1 . 2 . 3]" 1
726 1 59 GLY HA3 1 60 ALA H 0.000 . 5.000 3.517 3.354 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 59 GLY H 1 59 GLY HA2 0.000 . 2.500 2.346 2.335 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 59 GLY HA2 1 60 ALA H 0.000 . 3.500 2.875 2.487 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 59 GLY H 1 60 ALA H 0.000 . 2.900 2.757 2.465 2.970 0.070 27 0 "[ . 1 . 2 . 3]" 1
730 1 60 ALA HA 1 61 ALA H 0.000 . 2.500 2.227 2.192 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 60 ALA H 1 60 ALA MB 0.000 . 3.600 2.285 1.974 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 60 ALA MB 1 61 ALA H 0.000 . 4.000 3.233 2.683 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 60 ALA MB 1 62 SER H 0.000 . 5.000 3.887 3.563 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 61 ALA MB 1 62 SER H 0.000 . 4.400 3.682 3.638 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 61 ALA MB 1 63 PHE QD 0.000 . 6.400 3.249 2.744 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 61 ALA MB 1 63 PHE QE 0.000 . 6.000 2.438 1.842 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 62 SER HA 1 63 PHE QD 0.000 . 5.500 3.232 2.630 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 62 SER HA 1 63 PHE H 0.000 . 2.900 2.223 2.185 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 62 SER H 1 62 SER QB 0.000 . 3.500 2.603 2.093 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 62 SER QB 1 63 PHE H 0.000 . 3.900 3.459 3.212 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 62 SER H 1 63 PHE QD 0.000 . 5.500 3.617 3.344 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 63 PHE HA 1 64 SER H 0.000 . 2.500 2.528 2.417 2.583 0.083 7 0 "[ . 1 . 2 . 3]" 1
743 1 63 PHE QB 1 64 SER H 0.000 . 3.900 2.318 2.176 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 63 PHE H 1 63 PHE QD 0.000 . 5.500 2.717 2.285 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 63 PHE QD 1 64 SER H 0.000 . 4.900 3.396 3.102 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 63 PHE QE 1 65 PHE QB 0.000 . 6.500 2.694 1.907 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 63 PHE QE 1 65 PHE QD 0.000 . 6.900 3.595 2.613 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 64 SER HA 1 65 PHE H 0.000 . 2.500 2.234 2.183 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 64 SER H 1 64 SER QB 0.000 . 3.500 2.355 2.038 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 64 SER QB 1 65 PHE H 0.000 . 4.500 3.380 2.745 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 65 PHE HA 1 66 VAL H 0.000 . 3.500 2.597 2.277 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 65 PHE QB 1 66 VAL MG2 0.000 . 7.500 4.313 4.109 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 65 PHE QD 1 66 VAL MG2 0.000 . 8.500 3.900 3.499 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 65 PHE QD 1 66 VAL H 0.000 . 7.000 2.723 2.344 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 65 PHE QD 1 67 VAL MG1 0.000 . 6.400 2.790 2.399 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 65 PHE QD 1 93 LEU MD1 0.000 . 7.000 3.623 2.396 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 65 PHE QD 1 93 LEU MD2 0.000 . 6.400 3.198 2.426 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 65 PHE QE 1 67 VAL HA 0.000 . 7.000 3.708 3.273 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 65 PHE QE 1 67 VAL MG1 0.000 . 7.000 2.795 2.092 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 65 PHE QE 1 93 LEU MD1 0.000 . 7.000 2.464 1.911 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 65 PHE QE 1 93 LEU MD2 0.000 . 7.000 3.226 1.918 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 65 PHE H 1 66 VAL H 0.000 . 5.000 4.473 4.405 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 65 PHE HZ 1 93 LEU MD1 0.000 . 7.500 3.257 2.723 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 65 PHE HZ 1 93 LEU MD2 0.000 . 7.500 4.742 3.681 5.551 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 66 VAL HA 1 67 VAL MG1 0.000 . 6.500 3.297 2.995 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 66 VAL HA 1 67 VAL H 0.000 . 2.900 2.369 2.312 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 66 VAL H 1 66 VAL HB 0.000 . 2.900 2.783 2.551 2.913 0.013 13 0 "[ . 1 . 2 . 3]" 1
768 1 66 VAL HB 1 67 VAL H 0.000 . 3.500 3.575 3.424 3.654 0.154 7 0 "[ . 1 . 2 . 3]" 1
769 1 66 VAL MG1 1 67 VAL MG1 0.000 . 6.500 4.060 3.863 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 66 VAL MG1 1 67 VAL MG2 0.000 . 5.900 3.392 3.118 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 66 VAL MG1 1 67 VAL H 0.000 . 4.400 2.043 1.841 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 66 VAL MG1 1 68 ARG QD 0.000 . 7.500 4.305 2.392 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 66 VAL MG1 1 68 ARG QG 0.000 . 7.500 3.680 2.725 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 66 VAL H 1 66 VAL MG2 0.000 . 4.400 2.402 1.822 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 66 VAL MG2 1 67 VAL H 0.000 . 5.000 4.072 3.894 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 66 VAL H 1 67 VAL H 0.000 . 5.000 4.505 4.438 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 67 VAL HA 1 68 ARG H 0.000 . 2.900 2.398 2.211 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 67 VAL HB 1 68 ARG H 0.000 . 3.500 2.804 2.209 3.518 0.018 6 0 "[ . 1 . 2 . 3]" 1
779 1 67 VAL HB 1 107 LEU MD1 0.000 . 5.000 3.610 2.856 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 67 VAL H 1 67 VAL MG1 0.000 . 4.400 2.838 2.504 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 67 VAL MG1 1 68 ARG H 0.000 . 5.000 3.883 3.645 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 67 VAL MG1 1 93 LEU MD2 0.000 . 6.500 3.705 2.865 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 67 VAL MG1 1 107 LEU MD2 0.000 . 5.900 3.378 2.709 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 67 VAL H 1 67 VAL MG2 0.000 . 4.400 2.009 1.843 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 67 VAL MG2 1 68 ARG H 0.000 . 6.500 3.616 3.110 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 67 VAL MG2 1 109 PHE QD 0.000 . 8.500 5.494 4.939 5.869 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 67 VAL MG2 1 109 PHE QE 0.000 . 6.400 3.851 3.137 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 67 VAL MG2 1 109 PHE HZ 0.000 . 4.400 3.364 2.750 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 68 ARG HA 1 68 ARG QD 0.000 . 4.500 3.014 1.885 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 68 ARG HA 1 68 ARG HE 0.000 . 5.000 4.520 3.248 5.034 0.034 24 0 "[ . 1 . 2 . 3]" 1
791 1 68 ARG HA 1 69 LYS H 0.000 . 2.900 2.271 2.208 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 68 ARG HA 1 70 SER H 0.000 . 5.000 4.196 3.642 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 68 ARG QB 1 69 LYS H 0.000 . 7.000 3.249 2.201 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 68 ARG QB 1 70 SER H 0.000 . 4.500 3.264 2.459 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 68 ARG QB 1 71 TYR QD 0.000 . 8.000 3.558 2.301 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 68 ARG QG 1 71 TYR QB 0.000 . 5.500 3.979 3.081 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 68 ARG QG 1 71 TYR QD 0.000 . 8.000 5.289 3.795 5.893 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 68 ARG H 1 109 PHE HZ 0.000 . 5.000 3.958 2.867 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 69 LYS HA 1 70 SER H 0.000 . 5.000 3.557 3.414 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 69 LYS HA 1 86 CYS QB 0.000 . 6.000 3.153 2.350 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 69 LYS HA 1 86 CYS H 0.000 . 5.000 4.230 3.399 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 69 LYS HA 1 109 PHE QD 0.000 . 5.500 3.905 3.434 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 69 LYS HA 1 109 PHE QE 0.000 . 4.900 2.886 2.301 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 69 LYS HA 1 109 PHE HZ 0.000 . 2.900 2.815 2.609 2.919 0.019 23 0 "[ . 1 . 2 . 3]" 1
805 1 69 LYS H 1 69 LYS QB 0.000 . 3.500 2.146 1.930 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 69 LYS QB 1 70 SER H 0.000 . 4.500 2.408 2.050 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 69 LYS QB 1 109 PHE QB 0.000 . 7.000 4.934 3.711 5.565 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 69 LYS QB 1 109 PHE QD 0.000 . 6.500 3.712 2.636 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 69 LYS QB 1 109 PHE QE 0.000 . 6.500 2.685 1.866 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 69 LYS QE 1 109 PHE QB 0.000 . 7.000 4.275 1.832 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 69 LYS QE 1 109 PHE QD 0.000 . 8.000 4.040 1.755 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 69 LYS H 1 69 LYS QG 0.000 . 4.500 3.882 3.399 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 69 LYS QG 1 70 SER H 0.000 . 6.000 3.702 2.853 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 69 LYS QG 1 87 ALA MB 0.000 . 5.400 3.440 2.209 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 69 LYS QG 1 109 PHE QD 0.000 . 6.500 2.975 1.931 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 69 LYS QG 1 109 PHE QE 0.000 . 8.000 3.211 2.261 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 69 LYS H 1 70 SER H 0.000 . 2.900 2.695 2.069 2.985 0.085 6 0 "[ . 1 . 2 . 3]" 1
818 1 69 LYS H 1 109 PHE QE 0.000 . 7.000 3.761 2.822 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 70 SER HA 1 71 TYR QD 0.000 . 8.000 3.414 2.870 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 70 SER HA 1 71 TYR H 0.000 . 2.500 2.294 2.216 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 70 SER HA 1 85 ASP HA 0.000 . 2.900 2.254 1.850 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 70 SER HA 1 86 CYS H 0.000 . 3.500 3.039 2.116 3.565 0.065 1 0 "[ . 1 . 2 . 3]" 1
823 1 70 SER QB 1 71 TYR H 0.000 . 3.900 3.137 2.606 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 70 SER QB 1 85 ASP HA 0.000 . 4.500 2.886 2.204 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 71 TYR HA 1 72 THR H 0.000 . 2.900 2.298 2.198 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 71 TYR QD 1 72 THR H 0.000 . 5.500 3.495 2.977 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 71 TYR QD 1 73 GLY H 0.000 . 7.000 4.175 3.332 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 71 TYR QE 1 73 GLY HA3 0.000 . 5.500 3.099 2.214 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 71 TYR QE 1 73 GLY HA2 0.000 . 5.500 2.625 1.876 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 71 TYR QE 1 74 SER H 0.000 . 7.000 4.314 3.518 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 71 TYR QE 1 84 VAL MG1 0.000 . 7.000 2.696 2.068 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 71 TYR QE 1 84 VAL MG2 0.000 . 6.400 3.192 2.567 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 71 TYR HH 1 84 VAL MG1 0.000 . 5.000 3.128 2.459 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 71 TYR HH 1 84 VAL MG2 0.000 . 5.000 3.834 3.291 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 71 TYR H 1 84 VAL HB 0.000 . 3.500 3.349 2.934 3.546 0.046 23 0 "[ . 1 . 2 . 3]" 1
836 1 71 TYR H 1 84 VAL MG1 0.000 . 5.000 3.866 3.216 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 71 TYR H 1 84 VAL MG2 0.000 . 7.500 4.772 4.324 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 71 TYR H 1 84 VAL H 0.000 . 3.500 3.340 2.862 3.572 0.072 19 0 "[ . 1 . 2 . 3]" 1
839 1 71 TYR H 1 85 ASP HA 0.000 . 3.500 3.500 3.123 3.622 0.122 26 0 "[ . 1 . 2 . 3]" 1
840 1 72 THR HA 1 73 GLY H 0.000 . 2.500 2.231 2.203 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 72 THR HA 1 83 SER HA 0.000 . 2.500 1.939 1.830 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 72 THR HA 1 83 SER QB 0.000 . 6.000 3.273 2.302 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 72 THR HA 1 84 VAL H 0.000 . 3.500 2.831 2.370 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 72 THR H 1 72 THR HB 0.000 . 2.900 2.547 2.026 2.909 0.009 12 0 "[ . 1 . 2 . 3]" 1
845 1 72 THR HB 1 73 GLY H 0.000 . 5.000 4.203 3.828 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 72 THR HB 1 83 SER HA 0.000 . 5.000 4.752 3.801 5.058 0.058 15 0 "[ . 1 . 2 . 3]" 1
847 1 72 THR MG 1 73 GLY H 0.000 . 5.000 2.855 2.248 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 72 THR MG 1 82 GLY HA2 0.000 . 6.500 4.250 3.392 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 72 THR MG 1 82 GLY H 0.000 . 7.500 4.345 3.736 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 72 THR MG 1 84 VAL H 0.000 . 7.500 4.552 4.061 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 73 GLY H 1 73 GLY HA3 0.000 . 2.900 2.449 2.343 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 73 GLY HA3 1 74 SER H 0.000 . 3.500 2.720 2.453 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 73 GLY HA3 1 84 VAL MG2 0.000 . 5.000 2.073 1.699 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 73 GLY HA2 1 74 SER H 0.000 . 2.900 2.513 2.294 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 73 GLY HA2 1 84 VAL MG2 0.000 . 6.500 3.281 2.517 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 73 GLY H 1 74 SER H 0.000 . 5.000 4.544 4.347 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 73 GLY H 1 82 GLY H 0.000 . 5.000 4.490 3.835 5.084 0.084 22 0 "[ . 1 . 2 . 3]" 1
858 1 73 GLY H 1 83 SER HA 0.000 . 3.500 2.490 1.863 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 73 GLY H 1 83 SER H 0.000 . 5.000 4.793 4.367 5.053 0.053 19 0 "[ . 1 . 2 . 3]" 1
860 1 73 GLY H 1 84 VAL MG2 0.000 . 5.000 2.393 1.860 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 73 GLY H 1 84 VAL H 0.000 . 3.500 3.140 2.200 3.543 0.043 9 0 "[ . 1 . 2 . 3]" 1
862 1 74 SER HA 1 75 THR MG 0.000 . 6.500 3.694 3.198 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 74 SER HA 1 75 THR H 0.000 . 2.900 2.378 2.215 2.957 0.057 4 0 "[ . 1 . 2 . 3]" 1
864 1 74 SER HA 1 80 PRO HA 0.000 . 2.900 2.654 1.765 2.988 0.088 4 0 "[ . 1 . 2 . 3]" 1
865 1 74 SER HA 1 81 VAL HB 0.000 . 5.000 4.292 2.839 5.039 0.039 5 0 "[ . 1 . 2 . 3]" 1
866 1 74 SER HA 1 81 VAL QG 0.000 . 5.300 2.861 1.989 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 74 SER QB 1 75 THR H 0.000 . 4.500 3.129 2.061 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 74 SER QB 1 80 PRO HA 0.000 . 6.000 3.137 1.783 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 75 THR HA 1 75 THR HB 0.000 . 2.900 2.540 2.362 3.003 0.103 1 0 "[ . 1 . 2 . 3]" 1
870 1 75 THR HA 1 76 PRO QD 0.000 . 3.900 2.074 1.814 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 75 THR HA 1 76 PRO QG 0.000 . 7.000 4.023 3.784 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 75 THR HA 1 79 THR MG 0.000 . 7.500 5.898 4.952 6.342 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 75 THR H 1 75 THR HB 0.000 . 3.500 3.509 2.626 3.771 0.271 21 0 "[ . 1 . 2 . 3]" 1
874 1 75 THR HB 1 76 PRO QD 0.000 . 3.900 2.093 1.728 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 75 THR HB 1 76 PRO QG 0.000 . 6.000 3.938 3.379 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 75 THR HB 1 77 GLU H 0.000 . 5.000 2.659 2.279 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 75 THR H 1 75 THR MG 0.000 . 4.400 2.403 1.864 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 75 THR MG 1 76 PRO QB 0.000 . 7.500 5.512 4.231 5.741 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 75 THR MG 1 76 PRO QD 0.000 . 6.000 2.959 1.698 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 75 THR MG 1 76 PRO QG 0.000 . 8.500 4.582 3.279 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 75 THR MG 1 79 THR H 0.000 . 7.500 3.951 3.189 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 75 THR MG 1 80 PRO QD 0.000 . 7.500 5.285 4.090 5.733 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 75 THR H 1 79 THR HB 0.000 . 5.000 3.997 2.839 5.185 0.185 12 0 "[ . 1 . 2 . 3]" 1
884 1 75 THR H 1 79 THR H 0.000 . 5.000 3.412 2.123 5.106 0.106 21 0 "[ . 1 . 2 . 3]" 1
885 1 75 THR H 1 81 VAL QG 0.000 . 5.900 3.369 2.306 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 76 PRO HA 1 76 PRO HB3 0.000 . 2.900 2.307 2.299 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 76 PRO QB 1 77 GLU H 0.000 . 6.000 3.604 2.842 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 76 PRO QD 1 77 GLU H 0.000 . 6.000 2.640 2.143 3.062 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 76 PRO QG 1 77 GLU H 0.000 . 4.500 3.210 2.064 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 77 GLU H 1 77 GLU HA 0.000 . 2.900 2.948 2.861 2.987 0.087 22 0 "[ . 1 . 2 . 3]" 1
891 1 77 GLU HA 1 78 GLY H 0.000 . 3.500 3.396 2.465 3.576 0.076 6 0 "[ . 1 . 2 . 3]" 1
892 1 77 GLU QB 1 78 GLY H 0.000 . 6.000 2.949 1.845 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 77 GLU H 1 78 GLY H 0.000 . 2.900 2.431 1.884 2.977 0.077 21 0 "[ . 1 . 2 . 3]" 1
894 1 78 GLY QA 1 79 THR H 0.000 . 4.500 2.655 2.358 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 78 GLY H 1 79 THR H 0.000 . 2.900 2.362 1.795 2.921 0.021 16 0 "[ . 1 . 2 . 3]" 1
896 1 79 THR HA 1 80 PRO QD 0.000 . 3.500 1.938 1.882 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 79 THR HA 1 80 PRO QG 0.000 . 6.000 3.850 3.798 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 79 THR H 1 79 THR HB 0.000 . 2.900 2.716 2.200 3.060 0.160 28 0 "[ . 1 . 2 . 3]" 1
899 1 79 THR HB 1 81 VAL QG 0.000 . 7.400 4.502 2.519 5.570 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 79 THR MG 1 80 PRO QD 0.000 . 6.000 2.665 1.834 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 79 THR MG 1 81 VAL QG 0.000 . 6.800 3.319 2.263 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 81 VAL HA 1 82 GLY H 0.000 . 3.500 3.492 3.110 3.570 0.070 12 0 "[ . 1 . 2 . 3]" 1
903 1 81 VAL H 1 81 VAL HB 0.000 . 3.500 2.795 2.176 3.644 0.144 4 0 "[ . 1 . 2 . 3]" 1
904 1 81 VAL QG 1 82 GLY HA3 0.000 . 5.900 3.429 2.905 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 81 VAL QG 1 82 GLY H 0.000 . 5.900 2.466 1.760 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 81 VAL H 1 82 GLY H 0.000 . 2.900 2.363 1.874 2.904 0.004 1 0 "[ . 1 . 2 . 3]" 1
907 1 82 GLY H 1 82 GLY HA3 0.000 . 2.900 2.896 2.394 2.982 0.082 14 0 "[ . 1 . 2 . 3]" 1
908 1 82 GLY HA3 1 83 SER H 0.000 . 2.900 2.445 2.242 2.934 0.034 24 0 "[ . 1 . 2 . 3]" 1
909 1 82 GLY H 1 82 GLY HA2 0.000 . 2.900 2.682 2.353 2.953 0.053 27 0 "[ . 1 . 2 . 3]" 1
910 1 82 GLY HA2 1 83 SER H 0.000 . 2.900 2.804 2.318 3.012 0.112 1 0 "[ . 1 . 2 . 3]" 1
911 1 82 GLY H 1 83 SER H 0.000 . 5.000 4.407 4.196 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 83 SER HA 1 84 VAL MG2 0.000 . 6.500 3.429 3.066 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 83 SER HA 1 84 VAL H 0.000 . 2.500 2.388 2.219 2.540 0.040 29 0 "[ . 1 . 2 . 3]" 1
914 1 83 SER H 1 83 SER QB 0.000 . 3.100 2.416 2.013 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 83 SER QB 1 84 VAL H 0.000 . 3.500 2.802 2.405 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 84 VAL HA 1 85 ASP H 0.000 . 2.500 2.311 2.211 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 84 VAL H 1 84 VAL HB 0.000 . 2.900 2.505 2.269 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 84 VAL MG1 1 85 ASP HA 0.000 . 6.500 3.659 3.278 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 84 VAL MG1 1 85 ASP H 0.000 . 6.500 2.417 1.832 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 84 VAL MG1 1 86 CYS H 0.000 . 6.500 4.308 3.309 5.039 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 84 VAL MG1 1 89 ALA MB 0.000 . 5.900 3.843 3.173 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 84 VAL H 1 84 VAL MG2 0.000 . 4.400 2.807 2.224 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 84 VAL MG2 1 85 ASP H 0.000 . 5.000 3.940 3.560 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 85 ASP HA 1 86 CYS H 0.000 . 2.500 2.268 2.209 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 85 ASP H 1 85 ASP QB 0.000 . 3.500 2.558 2.047 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 85 ASP QB 1 86 CYS H 0.000 . 4.500 3.348 2.553 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 85 ASP QB 1 87 ALA H 0.000 . 6.000 2.892 2.384 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 85 ASP QB 1 88 THR H 0.000 . 6.000 3.724 2.769 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 85 ASP H 1 86 CYS H 0.000 . 5.000 4.375 3.918 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 85 ASP H 1 89 ALA MB 0.000 . 6.500 4.189 3.094 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 86 CYS HA 1 87 ALA H 0.000 . 3.500 3.209 2.850 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 86 CYS HA 1 88 THR MG 0.000 . 6.500 4.649 4.062 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 86 CYS HA 1 88 THR H 0.000 . 5.000 4.428 3.704 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 86 CYS HA 1 89 ALA MB 0.000 . 4.400 2.745 1.854 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 86 CYS HA 1 89 ALA H 0.000 . 3.500 3.232 2.681 3.539 0.039 7 0 "[ . 1 . 2 . 3]" 1
936 1 86 CYS H 1 86 CYS QB 0.000 . 3.500 2.189 1.979 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 86 CYS QB 1 90 ALA HA 0.000 . 6.000 4.764 3.872 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 86 CYS QB 1 91 CYS QB 0.000 . 7.000 3.265 1.821 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 86 CYS QB 1 91 CYS H 0.000 . 7.000 4.147 3.329 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 86 CYS QB 1 109 PHE QD 0.000 . 6.500 3.111 2.130 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 86 CYS QB 1 109 PHE QE 0.000 . 6.500 3.357 2.073 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 86 CYS H 1 87 ALA H 0.000 . 3.500 2.553 1.981 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 86 CYS H 1 89 ALA MB 0.000 . 7.500 4.832 4.202 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 87 ALA HA 1 88 THR H 0.000 . 5.000 3.584 3.542 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 87 ALA HA 1 89 ALA H 0.000 . 5.000 4.438 3.852 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 87 ALA H 1 87 ALA MB 0.000 . 3.600 2.040 1.908 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 87 ALA MB 1 88 THR MG 0.000 . 5.900 3.327 2.587 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 87 ALA MB 1 88 THR H 0.000 . 5.000 2.271 1.965 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 87 ALA MB 1 89 ALA H 0.000 . 5.000 4.022 3.863 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 87 ALA H 1 88 THR MG 0.000 . 6.500 3.883 3.525 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 87 ALA H 1 88 THR H 0.000 . 2.900 2.726 2.391 2.934 0.034 18 0 "[ . 1 . 2 . 3]" 1
952 1 87 ALA H 1 89 ALA MB 0.000 . 6.500 4.356 3.822 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 87 ALA H 1 89 ALA H 0.000 . 5.000 3.530 3.083 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 88 THR HA 1 88 THR HB 0.000 . 2.900 2.494 2.402 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 88 THR HA 1 89 ALA H 0.000 . 3.500 3.405 3.183 3.531 0.031 14 0 "[ . 1 . 2 . 3]" 1
956 1 88 THR H 1 88 THR HB 0.000 . 3.500 2.682 2.382 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 88 THR MG 1 89 ALA MB 0.000 . 5.900 2.629 2.191 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 88 THR MG 1 89 ALA H 0.000 . 6.500 2.324 1.823 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 88 THR H 1 89 ALA MB 0.000 . 6.500 3.801 3.429 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 88 THR H 1 89 ALA H 0.000 . 2.500 2.280 1.944 2.529 0.029 30 0 "[ . 1 . 2 . 3]" 1
961 1 89 ALA H 1 89 ALA HA 0.000 . 2.900 2.974 2.948 2.988 0.088 26 0 "[ . 1 . 2 . 3]" 1
962 1 89 ALA HA 1 90 ALA MB 0.000 . 5.000 3.883 3.698 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 89 ALA HA 1 90 ALA H 0.000 . 3.500 2.718 2.234 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 89 ALA H 1 89 ALA MB 0.000 . 3.600 2.237 2.048 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 89 ALA MB 1 90 ALA H 0.000 . 5.000 2.204 1.812 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 89 ALA MB 1 91 CYS H 0.000 . 7.500 4.914 3.711 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 90 ALA HA 1 91 CYS HA 0.000 . 5.000 4.484 4.431 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 90 ALA HA 1 91 CYS H 0.000 . 3.500 2.273 2.195 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 90 ALA MB 1 91 CYS HA 0.000 . 5.000 4.151 3.984 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 90 ALA MB 1 91 CYS H 0.000 . 6.500 3.137 2.713 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 90 ALA MB 1 107 LEU H 0.000 . 7.500 5.468 4.675 6.204 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 90 ALA H 1 91 CYS H 0.000 . 5.000 4.354 3.312 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 91 CYS HA 1 92 ASN H 0.000 . 2.500 2.276 2.203 2.506 0.006 19 0 "[ . 1 . 2 . 3]" 1
974 1 91 CYS QB 1 92 ASN H 0.000 . 4.500 3.203 2.426 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 91 CYS QB 1 109 PHE QE 0.000 . 8.000 3.822 2.371 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 91 CYS H 1 92 ASN H 0.000 . 5.000 4.466 4.253 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 91 CYS H 1 108 THR HA 0.000 . 5.000 4.700 3.883 5.055 0.055 30 0 "[ . 1 . 2 . 3]" 1
978 1 92 ASN HA 1 93 LEU H 0.000 . 2.500 2.272 2.192 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 92 ASN HA 1 106 ALA HA 0.000 . 2.900 2.492 1.876 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 92 ASN HA 1 106 ALA MB 0.000 . 5.000 4.072 3.360 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 92 ASN HA 1 107 LEU MD1 0.000 . 5.000 3.602 2.852 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 92 ASN HA 1 107 LEU MD2 0.000 . 6.500 4.638 3.948 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 92 ASN HA 1 107 LEU HG 0.000 . 3.500 3.156 2.291 3.525 0.025 26 0 "[ . 1 . 2 . 3]" 1
984 1 92 ASN HA 1 107 LEU H 0.000 . 2.900 2.445 1.867 2.937 0.037 22 0 "[ . 1 . 2 . 3]" 1
985 1 92 ASN QB 1 93 LEU H 0.000 . 3.900 3.061 2.570 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 92 ASN QB 1 104 HIS QB 0.000 . 5.500 3.091 2.099 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 92 ASN QB 1 105 VAL H 0.000 . 6.000 4.710 3.804 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 92 ASN QB 1 106 ALA HA 0.000 . 6.000 3.089 2.062 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 92 ASN QB 1 107 LEU H 0.000 . 6.000 4.127 3.439 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 92 ASN H 1 92 ASN HD21 0.000 . 5.000 3.484 2.023 5.006 0.006 20 0 "[ . 1 . 2 . 3]" 1
991 1 92 ASN H 1 107 LEU MD1 0.000 . 7.500 4.557 3.453 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 93 LEU HA 1 93 LEU HG 0.000 . 3.500 2.992 2.558 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 93 LEU HA 1 94 GLY H 0.000 . 2.500 2.243 2.212 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 93 LEU QB 1 94 GLY H 0.000 . 7.000 3.935 3.715 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 93 LEU QB 1 107 LEU MD1 0.000 . 6.000 1.945 1.704 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 93 LEU QB 1 107 LEU MD2 0.000 . 6.000 3.090 2.355 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 93 LEU MD1 1 94 GLY HA2 0.000 . 6.500 4.685 3.987 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 93 LEU MD1 1 94 GLY H 0.000 . 5.000 3.181 2.599 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 93 LEU MD2 1 94 GLY H 0.000 . 6.500 4.697 3.834 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 93 LEU H 1 93 LEU HG 0.000 . 5.000 4.192 3.972 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 93 LEU HG 1 94 GLY H 0.000 . 5.000 3.284 2.412 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 93 LEU H 1 105 VAL HB 0.000 . 5.000 3.858 3.239 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 93 LEU H 1 105 VAL MG2 0.000 . 7.500 4.959 4.580 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 93 LEU H 1 105 VAL H 0.000 . 3.500 3.459 2.920 3.659 0.159 8 0 "[ . 1 . 2 . 3]" 1
1005 1 93 LEU H 1 106 ALA HA 0.000 . 5.000 3.658 2.890 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 93 LEU H 1 107 LEU QB 0.000 . 7.000 4.445 3.715 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 93 LEU H 1 107 LEU MD2 0.000 . 6.500 4.057 3.240 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 93 LEU H 1 107 LEU HG 0.000 . 5.000 2.903 2.201 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 93 LEU H 1 107 LEU H 0.000 . 5.000 3.716 3.143 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 94 GLY HA3 1 95 ALA H 0.000 . 2.900 2.790 2.611 2.954 0.054 24 0 "[ . 1 . 2 . 3]" 1
1011 1 94 GLY HA3 1 104 HIS HA 0.000 . 3.500 3.147 2.373 3.520 0.020 14 0 "[ . 1 . 2 . 3]" 1
1012 1 94 GLY HA2 1 95 ALA MB 0.000 . 6.500 3.697 3.603 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 94 GLY HA2 1 95 ALA H 0.000 . 2.900 2.416 2.281 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 94 GLY HA2 1 103 GLY H 0.000 . 5.000 4.685 4.084 5.046 0.046 10 0 "[ . 1 . 2 . 3]" 1
1015 1 94 GLY HA2 1 104 HIS HA 0.000 . 3.500 1.993 1.843 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 94 GLY HA2 1 105 VAL H 0.000 . 3.500 3.416 3.142 3.600 0.100 4 0 "[ . 1 . 2 . 3]" 1
1017 1 95 ALA HA 1 96 GLY H 0.000 . 2.500 2.373 2.216 2.565 0.065 28 0 "[ . 1 . 2 . 3]" 1
1018 1 95 ALA MB 1 96 GLY H 0.000 . 5.000 2.901 2.317 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 95 ALA MB 1 102 LEU MD1 0.000 . 5.900 2.445 1.732 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 95 ALA H 1 103 GLY H 0.000 . 5.000 3.176 2.640 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 95 ALA H 1 104 HIS HA 0.000 . 5.000 3.717 3.286 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 96 GLY HA3 1 97 ASN H 0.000 . 2.900 2.677 2.389 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 96 GLY HA2 1 97 ASN H 0.000 . 2.900 2.557 2.376 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 96 GLY HA2 1 103 GLY H 0.000 . 6.000 5.390 4.687 6.015 0.015 27 0 "[ . 1 . 2 . 3]" 1
1025 1 96 GLY H 1 97 ASN H 0.000 . 5.000 4.387 4.251 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 96 GLY H 1 103 GLY H 0.000 . 6.000 5.859 5.390 6.082 0.082 9 0 "[ . 1 . 2 . 3]" 1
1027 1 97 ASN H 1 97 ASN HA 0.000 . 2.900 2.979 2.933 2.991 0.091 8 0 "[ . 1 . 2 . 3]" 1
1028 1 97 ASN HA 1 98 SER H 0.000 . 3.500 3.029 2.379 3.587 0.087 17 0 "[ . 1 . 2 . 3]" 1
1029 1 97 ASN QB 1 98 SER H 0.000 . 3.900 2.632 1.837 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 97 ASN HD21 1 98 SER H 0.000 . 3.500 2.693 1.859 3.745 0.245 21 0 "[ . 1 . 2 . 3]" 1
1031 1 97 ASN HD21 1 100 LEU H 0.000 . 5.000 3.674 2.072 5.246 0.246 26 0 "[ . 1 . 2 . 3]" 1
1032 1 97 ASN H 1 100 LEU QB 0.000 . 6.000 3.165 2.013 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 97 ASN H 1 100 LEU H 0.000 . 3.500 3.370 3.055 3.576 0.076 8 0 "[ . 1 . 2 . 3]" 1
1034 1 97 ASN H 1 101 ASP H 0.000 . 5.000 3.898 2.253 5.083 0.083 1 0 "[ . 1 . 2 . 3]" 1
1035 1 98 SER H 1 98 SER HA 0.000 . 2.900 2.906 2.794 2.987 0.087 8 0 "[ . 1 . 2 . 3]" 1
1036 1 98 SER HA 1 99 GLY H 0.000 . 3.500 2.955 2.242 3.570 0.070 26 0 "[ . 1 . 2 . 3]" 1
1037 1 98 SER HA 1 100 LEU H 0.000 . 5.000 4.443 3.886 5.028 0.028 9 0 "[ . 1 . 2 . 3]" 1
1038 1 98 SER H 1 98 SER QB 0.000 . 3.500 2.468 1.927 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 98 SER QB 1 99 GLY H 0.000 . 6.000 3.370 1.823 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 98 SER H 1 99 GLY H 0.000 . 5.000 3.124 1.870 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 99 GLY QA 1 100 LEU H 0.000 . 6.000 2.809 2.597 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 99 GLY H 1 100 LEU H 0.000 . 2.900 2.263 1.854 2.941 0.041 3 0 "[ . 1 . 2 . 3]" 1
1043 1 100 LEU HA 1 100 LEU MD2 0.000 . 4.400 2.856 1.797 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 100 LEU HA 1 101 ASP H 0.000 . 3.500 2.930 2.209 3.573 0.073 30 0 "[ . 1 . 2 . 3]" 1
1045 1 100 LEU H 1 100 LEU QB 0.000 . 3.500 2.377 2.179 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 100 LEU QB 1 101 ASP H 0.000 . 4.500 2.876 1.831 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 100 LEU MD1 1 101 ASP H 0.000 . 6.500 3.912 1.847 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 100 LEU MD2 1 101 ASP H 0.000 . 4.400 3.126 1.865 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 100 LEU MD2 1 102 LEU MD2 0.000 . 6.500 3.155 1.748 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 100 LEU H 1 101 ASP H 0.000 . 5.000 3.424 2.147 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 101 ASP HA 1 102 LEU MD1 0.000 . 6.500 4.767 3.149 5.452 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 101 ASP HA 1 102 LEU H 0.000 . 3.500 2.306 2.191 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 101 ASP H 1 101 ASP QB 0.000 . 3.500 2.722 2.061 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 102 LEU HA 1 102 LEU MD2 0.000 . 4.400 2.244 1.830 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 102 LEU HA 1 103 GLY H 0.000 . 3.500 3.551 3.372 3.588 0.088 10 0 "[ . 1 . 2 . 3]" 1
1056 1 102 LEU H 1 102 LEU MD1 0.000 . 5.000 3.429 2.019 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 102 LEU H 1 102 LEU HG 0.000 . 3.500 2.684 1.954 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 102 LEU H 1 103 GLY H 0.000 . 2.900 2.671 1.973 2.982 0.082 19 0 "[ . 1 . 2 . 3]" 1
1059 1 103 GLY H 1 103 GLY HA3 0.000 . 2.900 2.893 2.749 2.976 0.076 4 0 "[ . 1 . 2 . 3]" 1
1060 1 103 GLY HA3 1 104 HIS H 0.000 . 2.900 2.559 2.287 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 103 GLY HA2 1 104 HIS HD2 0.000 . 5.000 3.110 2.073 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 103 GLY HA2 1 104 HIS H 0.000 . 2.900 2.652 2.316 2.967 0.067 13 0 "[ . 1 . 2 . 3]" 1
1063 1 104 HIS HA 1 105 VAL HB 0.000 . 5.000 4.552 4.124 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 104 HIS HA 1 105 VAL MG2 0.000 . 6.500 3.645 3.202 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 104 HIS HA 1 105 VAL H 0.000 . 2.500 2.231 2.208 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 104 HIS QB 1 105 VAL H 0.000 . 6.000 3.363 2.883 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 105 VAL HA 1 106 ALA H 0.000 . 2.500 2.243 2.206 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 105 VAL H 1 105 VAL HB 0.000 . 2.900 2.376 2.110 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 105 VAL HB 1 106 ALA H 0.000 . 5.000 4.298 3.529 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 105 VAL MG1 1 106 ALA H 0.000 . 4.400 2.847 1.927 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 106 ALA HA 1 107 LEU H 0.000 . 2.900 2.248 2.208 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 106 ALA H 1 106 ALA MB 0.000 . 3.600 2.055 1.910 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 106 ALA MB 1 107 LEU H 0.000 . 4.400 3.325 2.677 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 107 LEU HA 1 107 LEU MD2 0.000 . 4.400 1.970 1.816 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 107 LEU HA 1 108 THR H 0.000 . 2.500 2.337 2.194 2.514 0.014 15 0 "[ . 1 . 2 . 3]" 1
1076 1 107 LEU QB 1 108 THR H 0.000 . 6.000 2.930 2.385 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 107 LEU MD1 1 109 PHE QE 0.000 . 7.000 3.928 3.230 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 107 LEU MD2 1 108 THR H 0.000 . 5.000 3.452 2.892 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 107 LEU MD2 1 109 PHE QE 0.000 . 8.500 4.980 4.150 5.907 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 107 LEU H 1 107 LEU HG 0.000 . 5.000 2.326 1.866 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 108 THR HA 1 109 PHE QD 0.000 . 5.500 3.521 2.566 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 108 THR HA 1 109 PHE H 0.000 . 2.500 2.442 2.304 2.550 0.050 30 0 "[ . 1 . 2 . 3]" 1
1083 1 108 THR H 1 108 THR HB 0.000 . 3.500 2.797 2.417 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 108 THR HB 1 109 PHE H 0.000 . 3.500 3.448 3.230 3.533 0.033 28 0 "[ . 1 . 2 . 3]" 1
1085 1 108 THR MG 1 109 PHE H 0.000 . 5.000 2.030 1.766 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 109 PHE HA 1 110 GLY H 0.000 . 2.500 2.356 2.210 2.527 0.027 11 0 "[ . 1 . 2 . 3]" 1
1087 1 109 PHE H 1 109 PHE QB 0.000 . 3.500 2.455 2.207 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 109 PHE QB 1 110 GLY H 0.000 . 4.500 3.323 2.416 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 109 PHE H 1 109 PHE QD 0.000 . 4.900 3.444 2.739 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 109 PHE QD 1 110 GLY H 0.000 . 7.000 3.844 2.499 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 34.093
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0189
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 36 CYS 0.570 0.022 27 0 "[ . 1 . 2 . 3]"
1 45 CYS 0.570 0.022 27 0 "[ . 1 . 2 . 3]"
1 86 CYS 0.566 0.021 27 0 "[ . 1 . 2 . 3]"
1 91 CYS 0.566 0.021 27 0 "[ . 1 . 2 . 3]"
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 36 CYS SG 1 45 CYS SG 0.000 . 2.000 2.019 2.017 2.022 0.022 27 0 "[ . 1 . 2 . 3]" 2
2 1 36 CYS CB 1 45 CYS SG 0.000 . 3.100 3.028 3.011 3.045 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 36 CYS SG 1 45 CYS CB 0.000 . 3.100 3.026 3.019 3.035 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 86 CYS SG 1 91 CYS SG 0.000 . 2.000 2.019 2.016 2.021 0.021 27 0 "[ . 1 . 2 . 3]" 2
5 1 86 CYS CB 1 91 CYS SG 0.000 . 3.100 3.025 3.014 3.038 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 86 CYS SG 1 91 CYS CB 0.000 . 3.100 3.023 3.012 3.032 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 455
_Distance_constraint_stats_list.Viol_total 565.239
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0414
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 SER 2.801 0.090 26 0 "[ . 1 . 2 . 3]"
1 7 SER 0.264 0.060 6 0 "[ . 1 . 2 . 3]"
1 13 SER 0.218 0.047 4 0 "[ . 1 . 2 . 3]"
1 16 GLN 2.130 0.112 15 0 "[ . 1 . 2 . 3]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 SER 0.264 0.060 6 0 "[ . 1 . 2 . 3]"
1 20 VAL 0.250 0.036 27 0 "[ . 1 . 2 . 3]"
1 21 SER 2.801 0.090 26 0 "[ . 1 . 2 . 3]"
1 22 VAL 0.763 0.063 26 0 "[ . 1 . 2 . 3]"
1 29 GLU 1.898 0.106 26 0 "[ . 1 . 2 . 3]"
1 31 TYR 0.089 0.041 15 0 "[ . 1 . 2 . 3]"
1 33 ILE 1.626 0.147 23 0 "[ . 1 . 2 . 3]"
1 34 ALA 2.341 0.164 19 0 "[ . 1 . 2 . 3]"
1 35 GLN 1.522 0.102 8 0 "[ . 1 . 2 . 3]"
1 36 CYS 1.409 0.106 21 0 "[ . 1 . 2 . 3]"
1 37 ALA 0.307 0.072 22 0 "[ . 1 . 2 . 3]"
1 39 VAL 0.163 0.038 11 0 "[ . 1 . 2 . 3]"
1 42 GLN 0.163 0.038 11 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.307 0.072 22 0 "[ . 1 . 2 . 3]"
1 46 ASN 1.522 0.102 8 0 "[ . 1 . 2 . 3]"
1 47 PRO 0.347 0.065 6 0 "[ . 1 . 2 . 3]"
1 50 ALA 0.347 0.065 6 0 "[ . 1 . 2 . 3]"
1 51 THR 1.626 0.147 23 0 "[ . 1 . 2 . 3]"
1 53 PHE 0.089 0.041 15 0 "[ . 1 . 2 . 3]"
1 55 THR 1.898 0.106 26 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.183 0.069 16 0 "[ . 1 . 2 . 3]"
1 59 GLY 0.183 0.069 16 0 "[ . 1 . 2 . 3]"
1 61 ALA 0.763 0.063 26 0 "[ . 1 . 2 . 3]"
1 63 PHE 0.250 0.036 27 0 "[ . 1 . 2 . 3]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 67 VAL 1.912 0.112 15 0 "[ . 1 . 2 . 3]"
1 69 LYS 0.225 0.054 11 0 "[ . 1 . 2 . 3]"
1 71 TYR 0.102 0.023 2 0 "[ . 1 . 2 . 3]"
1 84 VAL 0.102 0.023 2 0 "[ . 1 . 2 . 3]"
1 86 CYS 0.225 0.054 11 0 "[ . 1 . 2 . 3]"
1 91 CYS 0.343 0.089 27 0 "[ . 1 . 2 . 3]"
1 92 ASN 1.409 0.106 21 0 "[ . 1 . 2 . 3]"
1 93 LEU 0.126 0.047 8 0 "[ . 1 . 2 . 3]"
1 94 GLY 2.341 0.164 19 0 "[ . 1 . 2 . 3]"
1 95 ALA 1.952 0.155 29 0 "[ . 1 . 2 . 3]"
1 103 GLY 1.952 0.155 29 0 "[ . 1 . 2 . 3]"
1 105 VAL 0.126 0.047 8 0 "[ . 1 . 2 . 3]"
1 107 LEU 0.343 0.089 27 0 "[ . 1 . 2 . 3]"
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 5 SER N 1 21 SER O 0.000 . 3.300 3.324 3.276 3.367 0.067 7 0 "[ . 1 . 2 . 3]" 3
2 1 5 SER H 1 21 SER O 0.000 . 2.300 2.363 2.326 2.390 0.090 26 0 "[ . 1 . 2 . 3]" 3
3 1 7 SER N 1 19 SER O 0.000 . 3.300 3.113 2.952 3.287 . 0 0 "[ . 1 . 2 . 3]" 3
4 1 7 SER H 1 19 SER O 0.000 . 2.300 2.235 2.091 2.360 0.060 6 0 "[ . 1 . 2 . 3]" 3
5 1 13 SER O 1 16 GLN N 0.000 . 3.300 2.995 2.848 3.168 . 0 0 "[ . 1 . 2 . 3]" 3
6 1 13 SER O 1 16 GLN H 0.000 . 2.300 2.229 2.101 2.347 0.047 4 0 "[ . 1 . 2 . 3]" 3
7 1 18 VAL N 1 65 PHE O 0.000 . 3.300 2.909 2.718 3.042 . 0 0 "[ . 1 . 2 . 3]" 3
8 1 18 VAL H 1 65 PHE O 0.000 . 2.300 2.057 2.021 2.090 . 0 0 "[ . 1 . 2 . 3]" 3
9 1 20 VAL N 1 63 PHE O 0.000 . 3.300 3.075 2.885 3.245 . 0 0 "[ . 1 . 2 . 3]" 3
10 1 20 VAL H 1 63 PHE O 0.000 . 2.300 2.155 2.068 2.296 . 0 0 "[ . 1 . 2 . 3]" 3
11 1 5 SER O 1 21 SER N 0.000 . 3.300 3.128 2.945 3.253 . 0 0 "[ . 1 . 2 . 3]" 3
12 1 5 SER O 1 21 SER H 0.000 . 2.300 2.240 2.097 2.336 0.036 15 0 "[ . 1 . 2 . 3]" 3
13 1 22 VAL N 1 61 ALA O 0.000 . 3.300 3.073 2.853 3.262 . 0 0 "[ . 1 . 2 . 3]" 3
14 1 22 VAL H 1 61 ALA O 0.000 . 2.300 2.319 2.166 2.363 0.063 26 0 "[ . 1 . 2 . 3]" 3
15 1 31 TYR N 1 53 PHE O 0.000 . 3.300 2.946 2.725 3.158 . 0 0 "[ . 1 . 2 . 3]" 3
16 1 31 TYR H 1 53 PHE O 0.000 . 2.300 2.096 2.048 2.254 . 0 0 "[ . 1 . 2 . 3]" 3
17 1 33 ILE N 1 51 THR O 0.000 . 3.300 3.081 2.867 3.271 . 0 0 "[ . 1 . 2 . 3]" 3
18 1 33 ILE H 1 51 THR O 0.000 . 2.300 2.347 2.156 2.447 0.147 23 0 "[ . 1 . 2 . 3]" 3
19 1 34 ALA N 1 94 GLY O 0.000 . 3.300 3.188 3.022 3.320 0.020 3 0 "[ . 1 . 2 . 3]" 3
20 1 34 ALA H 1 94 GLY O 0.000 . 2.300 2.232 2.090 2.338 0.038 3 0 "[ . 1 . 2 . 3]" 3
21 1 36 CYS N 1 92 ASN O 0.000 . 3.300 3.173 2.978 3.309 0.009 22 0 "[ . 1 . 2 . 3]" 3
22 1 36 CYS H 1 92 ASN O 0.000 . 2.300 2.244 2.118 2.361 0.061 26 0 "[ . 1 . 2 . 3]" 3
23 1 37 ALA N 1 44 ALA O 0.000 . 3.300 3.088 2.946 3.333 0.033 22 0 "[ . 1 . 2 . 3]" 3
24 1 37 ALA H 1 44 ALA O 0.000 . 2.300 2.187 2.026 2.372 0.072 22 0 "[ . 1 . 2 . 3]" 3
25 1 39 VAL N 1 42 GLN O 0.000 . 3.300 3.110 2.635 3.302 0.002 14 0 "[ . 1 . 2 . 3]" 3
26 1 39 VAL H 1 42 GLN O 0.000 . 2.300 2.218 2.044 2.338 0.038 11 0 "[ . 1 . 2 . 3]" 3
27 1 37 ALA O 1 44 ALA N 0.000 . 3.300 2.980 2.674 3.218 . 0 0 "[ . 1 . 2 . 3]" 3
28 1 37 ALA O 1 44 ALA H 0.000 . 2.300 2.148 2.042 2.330 0.030 20 0 "[ . 1 . 2 . 3]" 3
29 1 35 GLN O 1 46 ASN N 0.000 . 3.300 3.250 3.000 3.366 0.066 23 0 "[ . 1 . 2 . 3]" 3
30 1 35 GLN O 1 46 ASN H 0.000 . 2.300 2.333 2.141 2.402 0.102 8 0 "[ . 1 . 2 . 3]" 3
31 1 47 PRO O 1 50 ALA N 0.000 . 3.300 3.120 2.931 3.307 0.007 11 0 "[ . 1 . 2 . 3]" 3
32 1 47 PRO O 1 50 ALA H 0.000 . 2.300 2.252 2.100 2.365 0.065 6 0 "[ . 1 . 2 . 3]" 3
33 1 31 TYR O 1 53 PHE N 0.000 . 3.300 3.061 2.795 3.291 . 0 0 "[ . 1 . 2 . 3]" 3
34 1 31 TYR O 1 53 PHE H 0.000 . 2.300 2.165 2.076 2.341 0.041 15 0 "[ . 1 . 2 . 3]" 3
35 1 29 GLU O 1 55 THR N 0.000 . 3.300 3.291 3.112 3.365 0.065 26 0 "[ . 1 . 2 . 3]" 3
36 1 29 GLU O 1 55 THR H 0.000 . 2.300 2.341 2.171 2.406 0.106 26 0 "[ . 1 . 2 . 3]" 3
37 1 56 ASP O 1 59 GLY N 0.000 . 3.300 2.985 2.828 3.312 0.012 1 0 "[ . 1 . 2 . 3]" 3
38 1 56 ASP O 1 59 GLY H 0.000 . 2.300 2.114 2.041 2.369 0.069 16 0 "[ . 1 . 2 . 3]" 3
39 1 22 VAL O 1 61 ALA N 0.000 . 3.300 2.995 2.721 3.129 . 0 0 "[ . 1 . 2 . 3]" 3
40 1 22 VAL O 1 61 ALA H 0.000 . 2.300 2.137 2.059 2.324 0.024 2 0 "[ . 1 . 2 . 3]" 3
41 1 20 VAL O 1 63 PHE N 0.000 . 3.300 3.122 2.998 3.259 . 0 0 "[ . 1 . 2 . 3]" 3
42 1 20 VAL O 1 63 PHE H 0.000 . 2.300 2.263 2.089 2.336 0.036 27 0 "[ . 1 . 2 . 3]" 3
43 1 18 VAL O 1 65 PHE N 0.000 . 3.300 3.013 2.879 3.161 . 0 0 "[ . 1 . 2 . 3]" 3
44 1 18 VAL O 1 65 PHE H 0.000 . 2.300 2.108 2.059 2.260 . 0 0 "[ . 1 . 2 . 3]" 3
45 1 16 GLN O 1 67 VAL N 0.000 . 3.300 3.284 3.205 3.335 0.035 15 0 "[ . 1 . 2 . 3]" 3
46 1 16 GLN O 1 67 VAL H 0.000 . 2.300 2.358 2.303 2.412 0.112 15 0 "[ . 1 . 2 . 3]" 3
47 1 71 TYR N 1 84 VAL O 0.000 . 3.300 3.078 2.814 3.272 . 0 0 "[ . 1 . 2 . 3]" 3
48 1 71 TYR H 1 84 VAL O 0.000 . 2.300 2.193 2.077 2.323 0.023 2 0 "[ . 1 . 2 . 3]" 3
49 1 71 TYR O 1 84 VAL N 0.000 . 3.300 2.961 2.774 3.229 . 0 0 "[ . 1 . 2 . 3]" 3
50 1 71 TYR O 1 84 VAL H 0.000 . 2.300 2.142 2.065 2.313 0.013 5 0 "[ . 1 . 2 . 3]" 3
51 1 69 LYS O 1 86 CYS N 0.000 . 3.300 3.069 2.669 3.265 . 0 0 "[ . 1 . 2 . 3]" 3
52 1 69 LYS O 1 86 CYS H 0.000 . 2.300 2.225 2.083 2.354 0.054 11 0 "[ . 1 . 2 . 3]" 3
53 1 36 CYS O 1 92 ASN N 0.000 . 3.300 3.222 2.872 3.378 0.078 21 0 "[ . 1 . 2 . 3]" 3
54 1 36 CYS O 1 92 ASN H 0.000 . 2.300 2.296 2.095 2.406 0.106 21 0 "[ . 1 . 2 . 3]" 3
55 1 93 LEU N 1 105 VAL O 0.000 . 3.300 3.159 2.972 3.317 0.017 8 0 "[ . 1 . 2 . 3]" 3
56 1 93 LEU H 1 105 VAL O 0.000 . 2.300 2.213 2.077 2.347 0.047 8 0 "[ . 1 . 2 . 3]" 3
57 1 34 ALA O 1 94 GLY N 0.000 . 3.300 3.150 2.940 3.331 0.031 23 0 "[ . 1 . 2 . 3]" 3
58 1 34 ALA O 1 94 GLY H 0.000 . 2.300 2.360 2.192 2.464 0.164 19 0 "[ . 1 . 2 . 3]" 3
59 1 95 ALA N 1 103 GLY O 0.000 . 3.300 3.242 3.040 3.377 0.077 22 0 "[ . 1 . 2 . 3]" 3
60 1 95 ALA H 1 103 GLY O 0.000 . 2.300 2.340 2.093 2.455 0.155 29 0 "[ . 1 . 2 . 3]" 3
61 1 93 LEU O 1 105 VAL N 0.000 . 3.300 2.941 2.726 3.073 . 0 0 "[ . 1 . 2 . 3]" 3
62 1 93 LEU O 1 105 VAL H 0.000 . 2.300 2.093 2.051 2.250 . 0 0 "[ . 1 . 2 . 3]" 3
63 1 91 CYS O 1 107 LEU N 0.000 . 3.300 3.061 2.752 3.324 0.024 25 0 "[ . 1 . 2 . 3]" 3
64 1 91 CYS O 1 107 LEU H 0.000 . 2.300 2.221 2.089 2.389 0.089 27 0 "[ . 1 . 2 . 3]" 3
stop_
save_
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