NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406788 |
1xu6   |
6419 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xu6
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 773
_Distance_constraint_stats_list.Viol_count 4319
_Distance_constraint_stats_list.Viol_total 28269.959
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0518
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.1091
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 MET 2.262 0.482 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 5 LEU 3.502 0.473 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 6 GLU 4.136 0.205 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 7 VAL 2.721 0.205 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 8 LEU 20.460 0.878 10 10 "[ * . + *. *2 * * 3 . -4 * * 5 .* 6]"
1 9 THR 1.093 0.113 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 10 GLN 0.164 0.113 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 11 LYS 2.405 0.177 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 12 HIS 2.336 0.177 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 13 LYS 9.210 0.878 10 5 "[ * . + . *2 . 3 . -4 . 5 .* 6]"
1 14 PRO 8.773 0.142 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 15 ALA 0.761 0.119 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 16 GLU 11.233 0.878 10 5 "[ * . + . *2 . 3 . -4 . 5 .* 6]"
1 17 SER 6.615 0.247 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 18 GLN 2.507 0.247 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 GLN 6.426 0.274 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 21 ALA 4.256 0.210 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 22 ALA 6.877 0.994 20 2 "[ . 1 . + . 3 . 4 - 5 . 6]"
1 23 GLU 30.726 0.994 20 2 "[ . 1 . + . 3 . 4 - 5 . 6]"
1 24 THR 14.430 0.234 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 25 GLU 20.006 0.582 6 3 "[ *+ 1 . 2 . 3 . 4 . - 5 . 6]"
1 26 GLY 14.972 0.145 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 27 SER 24.122 0.531 5 1 "[ + 1 . 2 . 3 . 4 . 5 . 6]"
1 28 CYS 22.733 0.676 21 3 "[ ** 1 . 2+ . 3 . 4 . 5 . 6]"
1 29 ASN 10.973 0.676 21 3 "[ -* 1 . 2+ . 3 . 4 . 5 . 6]"
1 30 LYS 0.614 0.221 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 31 LYS 13.277 0.531 5 1 "[ + 1 . 2 . 3 . 4 . 5 . 6]"
1 32 ASP 3.458 0.281 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 33 GLN 7.344 0.416 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 34 ASN 19.436 0.577 50 2 "[ . 1 - . 2 . 3 . 4 . + . 6]"
1 35 GLU 12.983 0.577 50 2 "[ . 1 - . 2 . 3 . 4 . + . 6]"
1 36 CYS 3.126 0.146 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 37 LYS 10.731 0.200 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 38 SER 9.740 0.262 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 39 PRO 56.682 0.966 27 13 "[ .* ** * . 2 . + 3 - . * 4 * 5** .*** 6]"
1 40 CYS 30.850 0.513 10 3 "[ . + . 2- . 3 * . 4 . 5 . 6]"
1 41 LYS 19.289 0.883 59 4 "[ *. 1 . 2 . - 3 .* 4 . 5 . +6]"
1 42 TRP 11.642 0.823 5 1 "[ + 1 . 2 . 3 . 4 . 5 . 6]"
1 43 HIS 3.636 0.359 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 44 ASN 3.121 0.148 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 46 ALA 10.406 0.359 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 47 GLU 10.653 0.334 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 48 ASN 3.508 0.165 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 49 LYS 6.823 0.823 5 1 "[ + 1 . 2 . 3 . 4 . 5 . 6]"
1 50 LYS 10.046 0.309 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 51 CYS 2.959 0.531 5 1 "[ + 1 . 2 . 3 . 4 . 5 . 6]"
1 52 THR 4.683 0.234 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 53 LEU 44.854 0.592 5 4 "[ +* 1 . 2* . 3 . 4 . - 5 . 6]"
1 54 ASP 31.664 0.883 59 3 "[ *. 1 . 2 . 3 .* 4 . 5 . +6]"
1 55 LYS 17.372 0.304 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 56 GLU 1.219 0.182 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 57 GLU 18.021 0.888 23 11 "[* *. 1 * . 2 + . *3 .* *4 .* *5 *. -6]"
1 58 ALA 37.539 0.888 23 16 "[* *** 1 * . 2* + . * *3 .* *4 ** *5 *. -6]"
1 59 LYS 19.869 0.875 45 7 "[ * * 1 . 2* . - 3 . 4 + 5 *. *6]"
1 60 LYS 24.183 0.562 50 5 "[ - . 1 * . * * . 3 . 4 . + . 6]"
1 61 VAL 43.189 0.929 39 9 "[* . 1 * . 2 * . *3 . +4 .* *5 *. -6]"
1 62 ALA 1.959 0.195 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 63 ASP 18.638 0.405 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 64 GLU 29.888 0.632 16 16 "[ * . -* 1** .+ * * .* ** . * 4 . * ** *]"
1 65 THR 5.281 0.276 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 66 ALA 5.594 0.276 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 67 LYS 12.441 0.330 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 68 ASP 3.197 0.160 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 69 GLY 0.297 0.160 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 70 LYS 0.098 0.032 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 73 ASN 0.884 0.089 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 75 ASN 7.411 0.177 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 76 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 78 GLY 2.441 0.134 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 80 SER 0.880 0.072 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET H 1 4 MET HB2 2.700 . 3.600 2.442 2.119 3.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
2 1 4 MET H 1 4 MET HB3 2.700 . 3.600 3.259 2.463 4.082 0.482 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
3 1 4 MET HA 1 4 MET HB3 2.800 . 3.800 2.635 2.330 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
4 1 4 MET HA 1 5 LEU H 2.600 . 3.500 2.568 2.144 3.552 0.052 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
5 1 4 MET HB2 1 5 LEU H 3.800 . 5.600 3.745 1.527 4.632 0.473 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
6 1 5 LEU H 1 5 LEU HA 2.500 . 3.300 2.759 2.269 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
7 1 5 LEU H 1 5 LEU HG 2.900 . 4.000 3.055 1.819 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
8 1 5 LEU HA 1 5 LEU QB 2.900 . 3.900 2.315 2.157 2.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
9 1 5 LEU HA 1 5 LEU MD1 3.000 . 4.100 3.557 1.802 4.125 0.098 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
10 1 5 LEU HA 1 6 GLU H 2.600 . 3.400 2.626 2.141 3.528 0.128 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
11 1 5 LEU HA 1 6 GLU H 2.000 . 2.500 1.880 1.800 2.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
12 1 5 LEU MD1 1 6 GLU H 3.900 . 5.800 4.425 2.822 5.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
13 1 5 LEU HG 1 6 GLU H 3.500 . 5.000 4.480 2.092 5.140 0.140 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
14 1 6 GLU H 1 6 GLU QB 3.000 . 4.100 2.703 2.246 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
15 1 6 GLU H 1 6 GLU QG 2.400 . 3.100 2.083 1.676 2.725 0.024 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
16 1 6 GLU H 1 6 GLU HG2 2.400 . 3.100 2.085 1.518 2.687 0.182 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
17 1 6 GLU H 1 6 GLU HG2 2.800 . 3.800 2.329 1.831 2.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
18 1 6 GLU H 1 6 GLU HG3 3.900 . 5.800 3.738 2.041 5.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
19 1 6 GLU HA 1 7 VAL H 2.500 . 3.300 2.491 2.147 3.505 0.205 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
20 1 6 GLU HA 1 7 VAL QG 2.700 . 3.600 2.955 2.555 3.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
21 1 7 VAL H 1 7 VAL HB 3.000 . 4.100 2.965 2.485 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
22 1 7 VAL H 1 7 VAL QG 3.200 . 4.400 2.053 1.895 2.309 0.105 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
23 1 7 VAL HA 1 7 VAL HB 2.400 . 3.100 2.615 2.431 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
24 1 7 VAL HA 1 7 VAL QG 2.000 . 2.500 2.219 2.044 2.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
25 1 7 VAL HA 1 8 LEU H 2.300 . 2.900 2.186 2.131 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
26 1 7 VAL HB 1 8 LEU H 3.700 . 5.400 3.701 2.590 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
27 1 8 LEU H 1 8 LEU HB2 2.900 . 3.900 3.015 2.382 3.999 0.099 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
28 1 8 LEU H 1 8 LEU HB3 2.800 . 3.800 3.425 2.467 4.088 0.288 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
29 1 8 LEU H 1 8 LEU MD1 3.500 . 5.000 3.543 1.545 4.956 0.455 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
30 1 8 LEU H 1 9 THR H 3.000 . 4.100 3.121 1.787 4.095 0.113 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
31 1 8 LEU HA 1 8 LEU HB3 3.000 . 4.200 2.646 2.299 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
32 1 8 LEU HA 1 8 LEU MD1 2.600 . 3.500 3.004 1.768 4.120 0.620 45 5 "[ . 1 *. 2 * - 3 . 4 * + 5 . 6]" 1
33 1 8 LEU HA 1 9 THR H 2.700 . 3.600 2.600 2.133 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
34 1 8 LEU QB 1 17 SER H 4.000 . 6.000 4.557 2.259 6.038 0.038 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
35 1 8 LEU HB2 1 9 THR H 3.800 . 5.600 3.595 1.988 4.643 0.012 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
36 1 8 LEU HB2 1 16 GLU H 3.800 . 5.600 5.363 3.725 6.478 0.878 10 5 "[ * . + . *2 . 3 . -4 . 5 .* 6]" 1
37 1 8 LEU HB3 1 8 LEU MD1 2.900 . 3.900 2.773 2.198 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
38 1 8 LEU HB3 1 9 THR H 3.800 . 5.600 3.455 1.913 4.651 0.087 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
39 1 9 THR H 1 9 THR MG 3.500 . 5.000 3.036 2.227 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
40 1 9 THR H 1 10 GLN H 3.700 . 5.400 3.581 1.960 4.625 0.040 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
41 1 9 THR H 1 11 LYS QG 3.800 . 5.600 4.804 2.875 5.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
42 1 9 THR H 1 17 SER H 4.600 . 6.000 5.739 4.114 6.051 0.051 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
43 1 9 THR HA 1 10 GLN H 2.600 . 3.500 2.350 2.058 2.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
44 1 10 GLN H 1 10 GLN HA 2.700 . 3.600 2.755 2.263 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
45 1 10 GLN H 1 10 GLN HB2 3.300 . 4.700 3.072 2.442 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
46 1 10 GLN H 1 10 GLN HB3 3.700 . 5.400 3.224 2.463 4.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
47 1 11 LYS H 1 11 LYS HB2 2.900 . 3.900 2.248 1.761 2.817 0.139 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
48 1 11 LYS H 1 11 LYS HB3 2.900 . 4.000 2.549 2.127 3.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
49 1 11 LYS H 1 11 LYS QD 3.300 . 4.700 4.297 1.902 4.766 0.066 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
50 1 11 LYS H 1 12 HIS H 2.500 . 3.300 3.231 2.645 3.477 0.177 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
51 1 11 LYS HA 1 12 HIS H 3.300 . 4.600 2.336 2.115 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
52 1 12 HIS HA 1 13 LYS H 2.800 . 3.800 3.191 2.130 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
53 1 12 HIS HB2 1 13 LYS H 3.900 . 5.800 3.604 2.034 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
54 1 13 LYS H 1 13 LYS HA 2.900 . 3.900 2.761 2.256 2.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
55 1 13 LYS H 1 13 LYS HB3 3.900 . 5.800 3.333 2.391 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
56 1 13 LYS H 1 13 LYS QD 3.400 . 4.800 4.352 1.966 4.924 0.124 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
57 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 3.387 1.981 4.501 0.019 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
58 1 13 LYS HA 1 13 LYS HB3 2.900 . 3.900 2.704 2.403 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
59 1 13 LYS HA 1 13 LYS QG 2.600 . 3.400 2.760 2.286 3.427 0.027 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
60 1 13 LYS HA 1 14 PRO HD2 2.200 . 2.800 2.355 1.986 2.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
61 1 13 LYS HA 1 14 PRO HD3 2.200 . 2.800 2.246 1.844 2.856 0.056 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
62 1 14 PRO HA 1 14 PRO HB3 2.300 . 3.000 2.295 2.261 2.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
63 1 14 PRO HA 1 15 ALA H 2.300 . 2.900 2.537 2.135 2.942 0.042 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
64 1 14 PRO HB2 1 14 PRO HD2 2.900 . 3.900 3.898 2.958 4.042 0.142 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
65 1 14 PRO HB2 1 14 PRO HD3 3.000 . 4.100 3.944 3.869 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
66 1 14 PRO HB2 1 15 ALA H 3.400 . 4.800 3.887 1.977 4.368 0.023 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
67 1 14 PRO HB3 1 14 PRO HD2 3.100 . 4.300 3.883 3.865 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
68 1 14 PRO HB3 1 14 PRO HD3 2.900 . 4.000 3.159 2.956 4.038 0.038 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
69 1 14 PRO HB3 1 15 ALA H 3.400 . 4.800 4.248 2.441 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
70 1 14 PRO HB3 1 15 ALA MB 2.700 . 3.600 2.835 1.897 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
71 1 14 PRO HD2 1 14 PRO HG2 2.300 . 2.900 2.290 2.266 2.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
72 1 14 PRO HD3 1 14 PRO HG2 2.300 . 2.900 2.934 2.677 2.995 0.095 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
73 1 14 PRO HG3 1 15 ALA H 3.900 . 5.800 5.402 4.447 5.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
74 1 14 PRO HG3 1 15 ALA MB 3.000 . 4.100 2.735 1.962 3.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
75 1 14 PRO HG3 1 15 ALA MB 3.000 . 4.100 3.089 1.964 3.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
76 1 15 ALA H 1 15 ALA HA 3.000 . 4.100 2.717 2.269 2.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
77 1 15 ALA H 1 15 ALA MB 2.700 . 3.600 2.647 2.019 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
78 1 15 ALA HA 1 16 GLU H 2.300 . 2.900 2.442 2.125 2.979 0.079 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
79 1 15 ALA MB 1 16 GLU H 3.000 . 4.200 3.176 1.865 3.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
80 1 15 ALA MB 1 17 SER H 3.900 . 5.800 4.580 2.460 5.919 0.119 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
81 1 16 GLU H 1 16 GLU HA 2.300 . 2.900 2.703 2.258 2.926 0.026 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
82 1 16 GLU H 1 16 GLU HB2 2.700 . 3.600 2.993 2.437 4.092 0.492 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
83 1 16 GLU H 1 16 GLU HB3 3.300 . 4.600 3.268 2.404 4.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
84 1 16 GLU H 1 16 GLU QG 3.400 . 4.800 3.080 1.917 4.488 0.083 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
85 1 16 GLU H 1 17 SER H 3.200 . 4.500 3.580 1.893 4.604 0.104 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
86 1 16 GLU HA 1 17 SER H 2.600 . 3.400 2.705 2.111 3.518 0.118 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
87 1 16 GLU HB2 1 17 SER H 3.700 . 5.400 3.745 1.979 4.618 0.021 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
88 1 16 GLU HB3 1 17 SER H 3.700 . 5.400 3.641 1.935 4.647 0.065 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
89 1 17 SER H 1 17 SER QB 3.000 . 4.100 2.817 2.256 3.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
90 1 17 SER HA 1 17 SER QB 2.200 . 2.800 2.319 2.187 2.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
91 1 17 SER HA 1 18 GLN H 2.500 . 3.300 2.583 2.139 3.547 0.247 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
92 1 17 SER QB 1 18 GLN H 3.400 . 4.800 3.200 1.835 4.052 0.165 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
93 1 18 GLN H 1 18 GLN HA 2.800 . 3.800 2.772 2.253 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
94 1 18 GLN H 1 18 GLN HB2 2.100 . 2.600 1.872 1.755 2.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
95 1 18 GLN H 1 18 GLN HB2 2.700 . 3.600 2.258 2.020 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
96 1 20 GLN H 1 20 GLN HA 2.200 . 2.800 2.817 2.746 2.919 0.119 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
97 1 20 GLN H 1 20 GLN HB2 2.800 . 3.800 2.703 2.282 3.830 0.030 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
98 1 20 GLN H 1 20 GLN HB3 2.600 . 3.500 2.761 2.382 3.757 0.257 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
99 1 20 GLN H 1 20 GLN HB3 2.300 . 3.000 2.044 1.957 2.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
100 1 20 GLN H 1 20 GLN QG 3.000 . 4.100 3.445 2.076 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
101 1 20 GLN H 1 39 PRO HG2 2.900 . 6.000 5.922 5.398 6.274 0.274 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
102 1 20 GLN HA 1 21 ALA H 2.100 . 2.600 2.219 2.139 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
103 1 20 GLN HB2 1 21 ALA H 3.200 . 4.500 3.882 2.506 4.541 0.041 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
104 1 20 GLN HB3 1 21 ALA H 3.200 . 4.500 3.800 1.872 4.476 0.028 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
105 1 20 GLN QG 1 21 ALA H 2.700 . 3.600 3.171 2.400 3.810 0.210 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
106 1 20 GLN QG 1 22 ALA H 4.100 . 6.000 4.136 2.785 4.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
107 1 21 ALA H 1 21 ALA MB 2.200 . 2.800 2.353 2.026 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
108 1 21 ALA H 1 22 ALA H 2.300 . 6.000 4.455 4.181 4.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
109 1 21 ALA H 1 23 GLU H 3.500 . 5.000 5.011 4.677 5.197 0.197 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
110 1 21 ALA HA 1 21 ALA MB 1.900 . 2.400 2.103 2.083 2.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
111 1 21 ALA HA 1 22 ALA H 2.000 . 2.500 2.198 2.151 2.533 0.033 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
112 1 22 ALA H 1 22 ALA MB 1.900 . 2.300 2.182 2.020 2.620 0.320 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
113 1 22 ALA H 1 23 GLU H 3.500 . 5.000 3.875 2.579 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
114 1 22 ALA H 1 23 GLU QB 3.100 . 4.300 4.191 3.251 4.846 0.546 45 1 "[ . 1 . 2 . 3 . 4 + 5 . 6]" 1
115 1 22 ALA HA 1 22 ALA MB 2.100 . 2.600 2.105 2.083 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
116 1 22 ALA HA 1 23 GLU H 1.900 . 2.400 2.343 2.151 3.394 0.994 20 1 "[ . 1 . + . 3 . 4 . 5 . 6]" 1
117 1 22 ALA HA 1 23 GLU QG 3.000 . 4.100 3.873 3.643 4.115 0.015 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
118 1 22 ALA HA 1 24 THR H 2.700 . 6.000 4.841 3.515 5.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
119 1 22 ALA MB 1 23 GLU H 2.500 . 6.000 3.567 2.913 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
120 1 23 GLU H 1 23 GLU HA 2.600 . 3.400 2.831 2.638 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
121 1 23 GLU H 1 23 GLU QB 2.700 . 3.400 2.554 2.433 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
122 1 23 GLU H 1 23 GLU QG 2.800 . 3.400 1.974 1.741 2.463 0.059 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
123 1 23 GLU H 1 24 THR H 3.300 . 4.700 4.159 3.270 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
124 1 23 GLU H 1 24 THR HA 3.900 . 5.800 5.060 4.721 5.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
125 1 23 GLU H 1 24 THR MG 3.400 . 4.800 4.581 3.587 5.034 0.234 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
126 1 23 GLU H 1 39 PRO QD 3.600 . 5.200 4.470 3.338 5.343 0.143 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
127 1 23 GLU H 1 39 PRO HG2 3.300 . 4.600 3.386 1.840 5.020 0.420 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
128 1 23 GLU H 1 53 LEU QD 3.600 . 5.200 3.695 2.999 4.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
129 1 23 GLU HA 1 23 GLU QB 2.500 . 3.300 2.289 2.149 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
130 1 23 GLU HA 1 24 THR H 2.300 . 2.900 2.736 2.079 2.999 0.099 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
131 1 23 GLU HA 1 27 SER H 3.500 . 6.000 6.034 5.378 6.236 0.236 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
132 1 23 GLU QB 1 24 THR H 3.000 . 4.100 2.415 1.727 3.920 0.173 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
133 1 23 GLU QB 1 28 CYS H 3.600 . 5.200 4.005 3.244 5.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
134 1 23 GLU QB 1 53 LEU QD 3.000 . 4.100 2.548 2.081 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
135 1 23 GLU QB 1 27 SER H 3.800 . 5.600 4.157 3.777 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
136 1 23 GLU QB 1 28 CYS H 4.100 . 6.000 3.873 3.218 4.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
137 1 23 GLU QB 1 53 LEU QD 2.800 . 3.800 2.585 2.088 3.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
138 1 23 GLU QG 1 24 THR H 3.300 . 4.700 4.022 3.761 4.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
139 1 24 THR H 1 24 THR HA 3.000 . 4.100 2.909 2.856 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
140 1 24 THR H 1 24 THR MG 2.900 . 4.000 3.023 2.094 3.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
141 1 24 THR H 1 27 SER H 3.000 . 4.100 3.544 3.195 4.175 0.075 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
142 1 24 THR H 1 27 SER HA 4.400 . 6.000 5.268 4.806 6.039 0.039 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
143 1 24 THR H 1 27 SER HB2 3.200 . 4.500 3.390 1.928 4.734 0.234 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
144 1 24 THR H 1 27 SER HB3 3.500 . 5.000 3.324 1.883 4.644 0.117 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
145 1 24 THR H 1 28 CYS H 3.000 . 4.100 3.556 3.104 4.270 0.170 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
146 1 24 THR H 1 53 LEU QD 2.800 . 3.800 3.112 2.479 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
147 1 24 THR HA 1 28 CYS H 3.600 . 5.200 4.157 4.015 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
148 1 24 THR HA 1 24 THR MG 2.000 . 2.500 2.387 2.200 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
149 1 24 THR HA 1 25 GLU H 2.000 . 2.500 2.284 2.192 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
150 1 24 THR HA 1 27 SER H 3.200 . 6.000 4.556 4.479 4.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
151 1 24 THR HA 1 53 LEU QD 2.300 . 3.000 1.827 1.629 1.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
152 1 24 THR HA 1 58 ALA MB 2.700 . 3.600 3.425 2.102 3.646 0.046 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
153 1 24 THR HA 1 53 LEU QD 2.400 . 3.100 2.915 1.974 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
154 1 24 THR HB 1 24 THR MG 2.000 . 2.500 2.111 2.091 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
155 1 24 THR HB 1 25 GLU H 2.200 . 2.800 2.686 2.254 2.907 0.107 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
156 1 24 THR HB 1 26 GLY H 2.600 . 3.400 2.903 2.625 3.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
157 1 24 THR MG 1 25 GLU H 2.800 . 3.800 3.790 3.637 3.873 0.073 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
158 1 24 THR MG 1 26 GLY H 3.400 . 4.800 4.424 4.245 4.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
159 1 24 THR MG 1 27 SER H 3.500 . 5.000 4.318 4.084 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
160 1 25 GLU H 1 25 GLU HA 2.500 . 3.300 2.739 2.706 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
161 1 25 GLU H 1 25 GLU HB2 2.500 . 3.300 2.418 2.364 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
162 1 25 GLU H 1 25 GLU HB3 2.400 . 3.100 2.647 2.571 2.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
163 1 25 GLU H 1 25 GLU HG2 3.000 . 6.000 4.508 4.480 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
164 1 25 GLU H 1 25 GLU HG3 3.200 . 4.500 4.381 4.336 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
165 1 25 GLU H 1 25 GLU HG3 2.900 . 4.000 2.957 2.539 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
166 1 25 GLU H 1 26 GLY H 2.800 . 3.800 2.829 2.639 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
167 1 25 GLU H 1 27 SER H 3.700 . 5.400 4.352 4.258 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
168 1 25 GLU H 1 53 LEU HB3 3.200 . 4.500 2.870 2.488 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
169 1 25 GLU H 1 53 LEU QD 2.600 . 3.400 3.120 1.785 3.340 0.115 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
170 1 25 GLU H 1 53 LEU HG 3.800 . 5.600 3.120 2.731 4.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
171 1 25 GLU HA 1 25 GLU HB2 2.600 . 3.500 2.478 2.445 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
172 1 25 GLU HA 1 25 GLU HB3 2.400 . 3.100 3.025 3.021 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
173 1 25 GLU HA 1 25 GLU HG2 2.900 . 4.000 3.076 2.982 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
174 1 25 GLU HA 1 25 GLU HG3 2.900 . 3.900 2.553 2.508 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
175 1 25 GLU HA 1 26 GLY H 3.300 . 4.700 3.520 3.481 3.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
176 1 25 GLU HA 1 28 CYS H 3.200 . 4.500 3.738 3.546 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
177 1 25 GLU HA 1 28 CYS HB2 2.700 . 3.600 3.017 2.747 4.182 0.582 6 2 "[ -+ 1 . 2 . 3 . 4 . 5 . 6]" 1
178 1 25 GLU HA 1 29 ASN H 3.000 . 4.100 4.064 3.798 4.187 0.087 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
179 1 25 GLU HA 1 30 LYS H 3.800 . 5.600 5.332 5.121 5.821 0.221 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
180 1 25 GLU HA 1 53 LEU H 2.900 . 4.000 2.279 1.885 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
181 1 25 GLU HA 1 53 LEU HB2 2.500 . 3.300 2.039 1.903 2.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
182 1 25 GLU HA 1 53 LEU HB3 2.300 . 2.900 1.929 1.694 2.111 0.006 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
183 1 25 GLU HA 1 53 LEU QD 3.000 . 3.800 3.461 2.334 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
184 1 25 GLU HA 1 53 LEU HG 2.900 . 4.000 3.665 3.370 4.124 0.124 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
185 1 25 GLU HB2 1 25 GLU HG2 2.400 . 3.100 3.009 3.006 3.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
186 1 25 GLU HB2 1 25 GLU HG3 2.400 . 3.100 2.439 2.414 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
187 1 25 GLU HB2 1 26 GLY H 2.800 . 3.800 3.830 3.691 3.872 0.072 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
188 1 25 GLU HB3 1 26 GLY H 2.700 . 3.600 2.585 2.382 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
189 1 25 GLU HB3 1 29 ASN H 3.600 . 5.200 4.043 3.741 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
190 1 25 GLU HB3 1 29 ASN QD 4.300 . 6.000 4.020 3.755 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
191 1 25 GLU HB3 1 29 ASN QD 3.900 . 5.800 4.059 3.777 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
192 1 25 GLU HB3 1 53 LEU QD 2.900 . 4.000 1.763 1.617 2.065 0.183 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
193 1 25 GLU HG2 1 29 ASN QD 3.100 . 4.300 2.716 2.255 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
194 1 25 GLU HG2 1 53 LEU QD 3.000 . 4.100 2.772 2.028 3.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
195 1 25 GLU HG2 1 53 LEU H 2.900 . 4.000 4.150 3.733 4.512 0.512 47 1 "[ . 1 . 2 . 3 . 4 . + 5 . 6]" 1
196 1 25 GLU HG3 1 29 ASN QD 3.400 . 4.500 2.699 2.260 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
197 1 26 GLY H 1 26 GLY HA2 2.400 . 3.100 2.809 2.781 2.824 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
198 1 26 GLY H 1 26 GLY HA3 2.400 . 3.100 2.295 2.287 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
199 1 26 GLY H 1 27 SER H 2.800 . 3.800 2.737 2.693 2.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
200 1 26 GLY H 1 28 CYS H 3.100 . 4.300 4.388 4.298 4.445 0.145 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
201 1 26 GLY H 1 28 CYS H 3.700 . 5.400 3.849 3.752 3.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
202 1 26 GLY H 1 29 ASN H 3.500 . 5.100 5.011 4.905 5.137 0.037 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
203 1 26 GLY HA2 1 27 SER H 2.600 . 3.500 3.540 3.519 3.565 0.065 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
204 1 26 GLY HA2 1 28 CYS H 3.300 . 4.700 4.783 4.716 4.844 0.144 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
205 1 26 GLY HA2 1 29 ASN H 3.100 . 4.300 3.955 3.742 4.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
206 1 27 SER H 1 27 SER HA 2.800 . 3.800 2.845 2.809 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
207 1 27 SER H 1 27 SER HB2 2.600 . 3.400 2.915 2.338 3.623 0.223 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
208 1 27 SER H 1 27 SER HB3 2.900 . 3.900 2.881 2.446 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
209 1 27 SER H 1 28 CYS H 2.500 . 3.300 2.634 2.460 2.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
210 1 27 SER H 1 28 CYS HA 4.100 . 6.000 5.232 5.087 5.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
211 1 27 SER H 1 28 CYS HB2 3.600 . 5.300 4.743 4.493 4.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
212 1 27 SER H 1 29 ASN H 3.000 . 4.200 4.253 4.021 4.329 0.129 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
213 1 27 SER HA 1 27 SER HB2 2.200 . 2.800 2.621 2.421 3.001 0.201 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
214 1 27 SER HA 1 27 SER HB3 2.200 . 2.800 2.638 2.420 3.001 0.201 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
215 1 27 SER HA 1 28 CYS H 3.000 . 4.100 3.544 3.521 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
216 1 27 SER HA 1 29 ASN H 3.600 . 5.200 4.549 4.234 4.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
217 1 27 SER HA 1 31 LYS H 2.700 . 3.600 3.417 3.381 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
218 1 27 SER HA 1 30 LYS QG 2.600 . 3.500 2.911 2.465 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
219 1 27 SER HB2 1 28 CYS H 3.100 . 4.300 3.302 2.367 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
220 1 27 SER HB2 1 31 LYS H 3.300 . 4.600 4.430 4.179 5.131 0.531 5 1 "[ + 1 . 2 . 3 . 4 . 5 . 6]" 1
221 1 27 SER HB3 1 28 CYS H 3.200 . 4.500 3.271 2.383 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
222 1 28 CYS H 1 28 CYS HA 2.600 . 3.500 2.769 2.739 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
223 1 28 CYS H 1 28 CYS HB2 2.200 . 2.800 2.501 2.204 2.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
224 1 28 CYS H 1 31 LYS H 3.900 . 5.800 3.926 3.724 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
225 1 28 CYS H 1 29 ASN HA 3.900 . 5.800 5.419 5.314 5.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
226 1 28 CYS H 1 29 ASN HB2 2.800 . 6.000 5.077 4.979 5.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
227 1 28 CYS H 1 30 LYS H 3.900 . 5.800 4.170 4.060 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
228 1 28 CYS H 1 31 LYS QG 3.500 . 5.000 3.341 3.141 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
229 1 28 CYS H 1 35 GLU HB3 4.000 . 6.000 6.071 5.939 6.144 0.144 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
230 1 28 CYS H 1 53 LEU H 3.700 . 5.400 4.415 4.041 5.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
231 1 28 CYS HA 1 28 CYS QB 2.200 . 2.800 2.377 2.341 2.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
232 1 28 CYS HA 1 29 ASN H 3.100 . 4.300 3.556 3.518 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
233 1 28 CYS HA 1 40 CYS QB 3.000 . 4.200 3.159 2.810 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
234 1 28 CYS QB 1 29 ASN QD 3.300 . 4.700 2.667 2.528 3.082 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
235 1 28 CYS QB 1 52 THR H 3.700 . 5.400 3.947 3.440 5.457 0.057 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
236 1 28 CYS HB2 1 29 ASN H 2.500 . 3.300 2.629 2.391 3.976 0.676 21 3 "[ -* 1 . 2+ . 3 . 4 . 5 . 6]" 1
237 1 28 CYS HB2 1 29 ASN QD 3.300 . 4.700 2.893 2.594 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
238 1 28 CYS HB2 1 53 LEU H 3.100 . 4.300 2.393 1.918 4.423 0.123 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
239 1 28 CYS HB2 1 53 LEU HB3 3.000 . 4.100 3.989 3.363 4.692 0.592 5 3 "[ +- 1 . 2* . 3 . 4 . 5 . 6]" 1
240 1 28 CYS HB3 1 40 CYS QB 2.700 . 3.600 2.412 1.954 4.102 0.502 21 1 "[ . 1 . 2+ . 3 . 4 . 5 . 6]" 1
241 1 28 CYS HB3 1 41 LYS H 3.700 . 5.400 4.067 3.642 5.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
242 1 29 ASN H 1 29 ASN HA 2.500 . 3.300 2.768 2.761 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
243 1 29 ASN H 1 29 ASN HB2 2.400 . 3.100 2.593 2.522 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
244 1 29 ASN H 1 29 ASN QD 2.800 . 3.800 2.053 1.903 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
245 1 29 ASN H 1 30 LYS H 2.700 . 3.600 2.738 2.626 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
246 1 29 ASN H 1 30 LYS HD3 3.600 . 5.300 3.789 3.428 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
247 1 29 ASN H 1 52 THR HA 3.400 . 4.900 3.780 3.283 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
248 1 29 ASN H 1 52 THR MG 3.900 . 5.800 4.602 4.002 5.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
249 1 29 ASN HA 1 29 ASN QB 2.400 . 3.100 2.361 2.335 2.399 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
250 1 29 ASN HA 1 29 ASN QD 2.500 . 3.600 2.012 1.868 2.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
251 1 29 ASN HA 1 30 LYS H 3.200 . 4.500 3.480 3.425 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
252 1 29 ASN HA 1 31 LYS H 3.500 . 5.000 4.420 4.198 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
253 1 29 ASN QB 1 29 ASN QD 3.100 . 4.300 2.782 2.778 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
254 1 29 ASN HB2 1 30 LYS H 2.900 . 3.900 2.832 2.655 3.148 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
255 1 29 ASN HB3 1 52 THR MG 2.600 . 3.500 3.194 2.089 3.643 0.143 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
256 1 29 ASN QD 1 30 LYS QD 3.900 . 5.200 4.563 4.452 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
257 1 29 ASN QD 1 30 LYS QD 3.900 . 5.800 4.493 4.378 4.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
258 1 29 ASN QD 1 30 LYS HD3 3.600 . 5.200 4.685 4.512 4.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
259 1 29 ASN QD 1 51 CYS HB2 3.000 . 6.000 5.343 5.112 5.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
260 1 29 ASN QD 1 51 CYS HB3 3.200 . 4.500 4.092 3.853 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
261 1 29 ASN QD 1 52 THR HA 2.900 . 3.900 2.048 1.666 2.586 0.234 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
262 1 29 ASN QD 1 52 THR HB 3.800 . 5.600 2.947 2.332 3.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
263 1 29 ASN QD 1 52 THR MG 2.700 . 3.400 2.245 1.755 2.927 0.045 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
264 1 29 ASN QD 1 53 LEU H 4.000 . 6.000 2.895 2.412 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
265 1 30 LYS H 1 30 LYS HA 2.400 . 3.100 2.875 2.833 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
266 1 30 LYS H 1 30 LYS HB2 2.500 . 3.300 2.585 2.276 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
267 1 30 LYS H 1 30 LYS HB3 2.800 . 3.800 3.604 3.532 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
268 1 30 LYS H 1 30 LYS QD 2.600 . 3.500 3.140 1.992 3.556 0.056 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
269 1 30 LYS H 1 30 LYS QG 2.700 . 3.600 2.116 1.740 3.362 0.060 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
270 1 30 LYS H 1 31 LYS H 2.600 . 3.400 2.420 2.258 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
271 1 30 LYS H 1 31 LYS QB 4.200 . 6.000 4.388 4.066 4.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
272 1 30 LYS H 1 31 LYS QG 4.000 . 6.000 4.392 3.487 5.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
273 1 30 LYS HA 1 30 LYS HB3 2.300 . 3.000 2.403 2.322 2.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
274 1 30 LYS HA 1 30 LYS QG 2.400 . 6.000 3.041 2.520 3.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
275 1 30 LYS HB2 1 31 LYS H 2.400 . 3.100 1.822 1.666 2.111 0.034 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
276 1 30 LYS HB3 1 30 LYS QD 2.500 . 3.300 2.772 2.389 3.302 0.002 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
277 1 30 LYS HB3 1 30 LYS QG 2.400 . 3.100 2.324 2.157 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
278 1 30 LYS HB3 1 31 LYS H 3.600 . 5.200 3.912 3.470 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
279 1 30 LYS QE 1 30 LYS QG 2.900 . 4.000 2.410 2.135 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
280 1 30 LYS QG 1 31 LYS H 4.100 . 6.000 3.905 3.440 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
281 1 31 LYS H 1 31 LYS HA 2.500 . 3.300 2.785 2.720 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
282 1 31 LYS H 1 31 LYS QB 2.800 . 3.400 2.366 2.169 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
283 1 31 LYS H 1 31 LYS QD 2.700 . 3.600 2.623 1.713 3.604 0.087 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
284 1 31 LYS H 1 31 LYS HE2 3.400 . 4.800 3.968 2.601 4.912 0.112 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
285 1 31 LYS H 1 31 LYS HE3 3.300 . 4.600 3.218 2.450 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
286 1 31 LYS H 1 31 LYS QG 2.700 . 3.600 2.620 1.686 3.417 0.214 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
287 1 31 LYS H 1 32 ASP H 3.400 . 4.900 4.522 4.439 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
288 1 31 LYS H 1 32 ASP H 3.500 . 5.100 3.999 3.819 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
289 1 31 LYS H 1 37 LYS H 3.700 . 6.000 6.042 5.892 6.200 0.200 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
290 1 31 LYS HA 1 31 LYS QB 2.500 . 3.100 2.385 2.260 2.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
291 1 31 LYS HA 1 31 LYS QD 2.200 . 2.800 2.518 1.675 2.874 0.074 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
292 1 31 LYS HA 1 31 LYS HE2 2.600 . 3.500 2.856 1.694 3.545 0.045 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
293 1 31 LYS HA 1 31 LYS HE3 2.500 . 3.300 2.440 1.691 3.527 0.227 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
294 1 31 LYS HA 1 31 LYS QG 2.600 . 3.100 2.787 2.570 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
295 1 31 LYS HA 1 32 ASP H 2.000 . 2.500 2.242 2.089 2.625 0.125 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
296 1 31 LYS QB 1 31 LYS QD 2.600 . 3.400 2.452 2.096 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
297 1 31 LYS QB 1 31 LYS HE2 3.000 . 4.100 3.650 2.061 4.332 0.232 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
298 1 31 LYS QB 1 32 ASP H 2.800 . 3.700 2.779 1.886 3.352 0.014 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
299 1 31 LYS QB 1 36 CYS H 3.700 . 5.400 3.338 3.065 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
300 1 31 LYS QB 1 36 CYS H 3.500 . 5.000 3.329 3.060 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
301 1 31 LYS QD 1 31 LYS HE2 2.200 . 2.800 2.313 2.119 2.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
302 1 31 LYS QD 1 31 LYS HE3 2.200 . 2.800 2.357 2.187 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
303 1 31 LYS HE2 1 31 LYS QG 2.700 . 3.600 2.543 2.290 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
304 1 31 LYS HE3 1 31 LYS QG 2.400 . 3.100 2.497 1.872 3.194 0.094 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
305 1 31 LYS HE3 1 37 LYS H 3.900 . 5.800 5.490 4.795 5.902 0.102 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
306 1 31 LYS QG 1 32 ASP H 3.200 . 4.500 4.087 3.898 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
307 1 32 ASP H 1 32 ASP HB2 2.600 . 3.400 2.581 2.409 3.619 0.219 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
308 1 32 ASP H 1 32 ASP HB3 2.800 . 3.800 3.608 2.532 3.884 0.084 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
309 1 32 ASP H 1 33 GLN H 3.500 . 5.000 4.460 4.142 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
310 1 32 ASP H 1 34 ASN H 3.200 . 6.000 5.094 4.674 5.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
311 1 32 ASP H 1 35 GLU H 3.600 . 5.200 3.294 2.675 3.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
312 1 32 ASP H 1 35 GLU HB2 2.900 . 6.000 1.600 1.244 2.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
313 1 32 ASP H 1 35 GLU QG 2.900 . 3.900 3.034 1.865 3.501 0.035 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
314 1 32 ASP HA 1 32 ASP HB2 2.600 . 3.400 2.994 2.463 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
315 1 32 ASP HA 1 32 ASP HB3 2.600 . 3.400 2.506 2.421 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
316 1 32 ASP HA 1 33 GLN H 2.600 . 3.400 2.683 2.512 2.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
317 1 32 ASP HB2 1 33 GLN H 2.500 . 3.300 3.149 1.794 3.571 0.271 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
318 1 32 ASP HB2 1 36 CYS H 3.800 . 5.600 4.418 4.158 5.111 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
319 1 32 ASP HB3 1 33 GLN H 2.400 . 3.100 2.092 1.706 3.381 0.281 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
320 1 32 ASP HB3 1 34 ASN H 3.600 . 5.200 3.551 2.940 4.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
321 1 33 GLN H 1 33 GLN HA 2.500 . 3.300 2.760 2.730 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
322 1 33 GLN H 1 33 GLN HB2 2.400 . 3.100 2.466 2.312 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
323 1 33 GLN H 1 33 GLN HB3 2.500 . 3.300 2.602 2.514 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
324 1 33 GLN H 1 33 GLN HG2 3.400 . 4.800 4.467 4.287 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
325 1 33 GLN H 1 33 GLN HG3 3.300 . 4.700 4.456 4.362 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
326 1 33 GLN H 1 34 ASN H 2.700 . 3.600 2.953 2.772 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
327 1 33 GLN H 1 35 GLU H 3.300 . 4.600 3.950 3.650 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
328 1 33 GLN H 1 42 TRP HH2 3.300 . 4.600 3.492 2.862 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
329 1 33 GLN H 1 42 TRP HZ3 3.300 . 4.700 3.992 3.372 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
330 1 33 GLN HA 1 33 GLN HB2 2.700 . 3.600 2.466 2.421 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
331 1 33 GLN HA 1 33 GLN HB3 2.400 . 3.100 3.025 3.021 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
332 1 33 GLN HA 1 33 GLN HG2 2.800 . 3.800 3.004 2.433 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
333 1 33 GLN HA 1 33 GLN HG3 2.500 . 3.300 2.782 2.521 3.716 0.416 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
334 1 33 GLN HA 1 34 ASN H 3.300 . 4.700 3.564 3.544 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
335 1 33 GLN HA 1 36 CYS H 2.700 . 3.600 3.576 3.457 3.654 0.054 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
336 1 33 GLN HA 1 36 CYS HB2 2.800 . 3.800 2.837 2.516 3.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
337 1 33 GLN HA 1 36 CYS HB3 2.800 . 3.800 3.783 3.526 3.857 0.057 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
338 1 33 GLN HB2 1 33 GLN HE22 3.800 . 5.600 4.412 3.496 5.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
339 1 33 GLN HB2 1 33 GLN HG2 2.600 . 3.400 2.918 2.454 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
340 1 33 GLN HB2 1 33 GLN HG3 2.500 . 3.300 2.425 2.266 2.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
341 1 33 GLN HB2 1 34 ASN H 2.900 . 3.900 3.698 3.564 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
342 1 33 GLN HB2 1 42 TRP HE1 3.900 . 5.800 5.170 4.489 5.833 0.033 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
343 1 33 GLN HB3 1 33 GLN HG2 2.700 . 3.600 2.546 2.413 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
344 1 33 GLN HB3 1 34 ASN H 2.700 . 3.600 2.284 2.071 2.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
345 1 33 GLN HE21 1 33 GLN HG2 2.800 . 3.800 2.839 2.113 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
346 1 33 GLN HE21 1 33 GLN HG3 2.900 . 4.000 2.607 2.117 3.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
347 1 33 GLN HE21 1 42 TRP HE1 3.800 . 5.600 3.770 2.127 5.619 0.019 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
348 1 33 GLN HE22 1 33 GLN HG2 3.000 . 4.100 3.759 3.433 3.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
349 1 33 GLN HE22 1 33 GLN HG3 3.000 . 4.100 3.656 3.437 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
350 1 33 GLN HG2 1 34 ASN H 3.800 . 5.600 3.626 3.125 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
351 1 33 GLN HG2 1 42 TRP HE1 3.600 . 5.200 4.865 3.476 5.236 0.036 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
352 1 33 GLN HG3 1 34 ASN H 3.400 . 4.800 4.510 4.297 4.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
353 1 33 GLN HG3 1 42 TRP HE1 3.400 . 4.800 3.729 3.080 4.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
354 1 34 ASN H 1 34 ASN HA 2.500 . 3.300 2.826 2.803 2.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
355 1 34 ASN H 1 34 ASN HB2 2.400 . 3.100 2.719 2.215 3.560 0.460 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
356 1 34 ASN H 1 34 ASN HB3 2.400 . 3.100 2.699 2.364 3.549 0.449 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
357 1 34 ASN H 1 34 ASN HD21 3.800 . 5.600 4.213 1.911 4.827 0.089 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
358 1 34 ASN H 1 34 ASN HD22 3.900 . 5.800 5.086 3.038 5.830 0.030 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
359 1 34 ASN H 1 35 GLU H 2.400 . 3.100 2.609 2.507 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
360 1 34 ASN H 1 35 GLU HA 3.600 . 5.200 5.040 4.982 5.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
361 1 34 ASN H 1 35 GLU HB2 3.700 . 5.400 4.813 4.634 5.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
362 1 34 ASN H 1 35 GLU QG 3.800 . 5.600 4.092 3.609 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
363 1 34 ASN H 1 36 CYS H 3.400 . 4.900 3.993 3.826 4.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
364 1 34 ASN HA 1 34 ASN HB2 2.200 . 2.800 2.561 2.389 3.024 0.224 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
365 1 34 ASN HA 1 34 ASN HB3 2.300 . 6.000 2.807 2.389 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
366 1 34 ASN HA 1 34 ASN HD22 3.800 . 5.600 4.600 3.373 5.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
367 1 34 ASN HA 1 35 GLU H 2.700 . 3.600 3.452 3.060 3.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
368 1 34 ASN HA 1 36 CYS H 3.500 . 5.000 3.929 3.759 4.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
369 1 34 ASN HB2 1 34 ASN HD21 2.800 . 3.800 2.885 2.105 3.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
370 1 34 ASN HB2 1 34 ASN HD22 3.000 . 4.100 3.768 3.421 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
371 1 34 ASN HB2 1 35 GLU H 3.400 . 4.900 3.839 2.660 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
372 1 34 ASN HB3 1 34 ASN HD21 2.900 . 3.900 2.567 2.094 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
373 1 34 ASN HB3 1 34 ASN HD22 3.000 . 4.100 3.629 3.412 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
374 1 34 ASN HB3 1 35 GLU H 2.800 . 3.800 3.347 2.639 4.377 0.577 50 2 "[ . 1 - . 2 . 3 . 4 . + . 6]" 1
375 1 34 ASN HD22 1 35 GLU QG 4.200 . 6.000 4.534 2.030 6.396 0.396 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
376 1 35 GLU H 1 35 GLU HA 2.400 . 3.100 2.893 2.843 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
377 1 35 GLU H 1 35 GLU HB2 2.600 . 3.400 2.498 2.407 2.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
378 1 35 GLU H 1 35 GLU QG 2.700 . 3.600 2.445 2.049 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
379 1 35 GLU H 1 36 CYS H 2.000 . 2.500 2.372 1.695 2.521 0.021 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
380 1 35 GLU H 1 36 CYS HB2 3.700 . 5.400 4.364 3.625 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
381 1 35 GLU H 1 36 CYS HB3 3.500 . 5.100 4.996 4.198 5.246 0.146 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
382 1 35 GLU HA 1 35 GLU QG 2.700 . 3.300 2.431 2.364 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
383 1 35 GLU HA 1 36 CYS HB2 2.900 . 6.000 5.635 5.479 5.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
384 1 35 GLU HA 1 37 LYS QG 2.900 . 6.000 4.107 4.059 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
385 1 35 GLU QB 1 36 CYS H 3.200 . 4.500 3.196 2.711 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
386 1 35 GLU QG 1 36 CYS H 3.300 . 4.700 4.275 3.955 4.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
387 1 36 CYS H 1 36 CYS HA 2.500 . 3.300 2.808 2.719 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
388 1 36 CYS H 1 36 CYS HB2 2.200 . 2.800 2.335 2.217 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
389 1 36 CYS H 1 36 CYS HB3 2.200 . 2.800 2.765 2.630 2.846 0.046 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
390 1 36 CYS H 1 37 LYS QG 3.700 . 5.400 5.039 4.907 5.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
391 1 36 CYS H 1 51 CYS HB2 3.900 . 5.800 4.907 4.389 5.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
392 1 36 CYS HA 1 36 CYS HB2 2.400 . 3.100 2.579 2.496 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
393 1 36 CYS HA 1 36 CYS HB3 2.500 . 3.300 3.017 2.995 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
394 1 36 CYS HA 1 37 LYS H 2.000 . 2.500 2.160 2.108 2.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
395 1 36 CYS HA 1 40 CYS QB 2.800 . 3.800 3.353 3.010 3.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
396 1 36 CYS HA 1 40 CYS QB 2.600 . 3.400 2.670 2.390 3.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
397 1 36 CYS HB2 1 37 LYS H 3.800 . 5.600 4.553 4.416 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
398 1 36 CYS HB3 1 37 LYS H 3.400 . 4.800 4.330 4.272 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
399 1 37 LYS H 1 37 LYS HA 2.900 . 3.900 2.826 2.818 2.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
400 1 37 LYS H 1 37 LYS HB2 2.700 . 3.600 2.424 2.329 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
401 1 37 LYS H 1 37 LYS HB3 2.600 . 6.000 3.572 3.557 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
402 1 37 LYS H 1 37 LYS QG 2.600 . 3.400 2.231 2.059 2.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
403 1 37 LYS H 1 38 SER H 3.700 . 5.400 4.611 4.594 4.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
404 1 37 LYS H 1 40 CYS H 3.900 . 5.800 4.276 4.087 4.509 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
405 1 37 LYS H 1 40 CYS QB 3.100 . 3.800 3.099 2.751 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
406 1 37 LYS HA 1 37 LYS HB2 2.800 . 3.800 3.001 2.990 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
407 1 37 LYS HA 1 37 LYS HB3 2.800 . 3.800 2.480 2.429 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
408 1 37 LYS HA 1 37 LYS HG2 2.600 . 3.400 2.687 2.400 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
409 1 37 LYS HA 1 38 SER H 2.200 . 2.800 2.229 2.196 2.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
410 1 37 LYS HA 1 40 CYS H 2.400 . 6.000 3.852 3.595 3.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
411 1 37 LYS HB2 1 37 LYS QG 2.300 . 3.000 2.253 2.153 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
412 1 37 LYS HB2 1 38 SER H 2.700 . 3.600 3.652 3.584 3.701 0.101 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
413 1 37 LYS HB2 1 40 CYS QB 3.100 . 4.300 3.647 2.524 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
414 1 37 LYS HB3 1 37 LYS QG 2.300 . 3.000 2.374 2.291 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
415 1 37 LYS HB3 1 38 SER H 2.900 . 3.900 2.430 2.326 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
416 1 37 LYS QD 1 37 LYS QE 2.200 . 2.800 2.035 1.993 2.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
417 1 37 LYS HE2 1 37 LYS HG2 2.700 . 3.600 2.558 2.171 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
418 1 37 LYS QG 1 38 SER H 3.200 . 4.500 4.017 3.675 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
419 1 38 SER H 1 38 SER HB2 2.500 . 3.300 2.518 2.454 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
420 1 38 SER H 1 38 SER HB3 2.500 . 3.300 2.972 2.540 3.562 0.262 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
421 1 38 SER H 1 40 CYS H 3.600 . 5.200 4.157 3.867 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
422 1 38 SER HA 1 38 SER HB2 2.800 . 3.800 2.674 2.421 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
423 1 38 SER HA 1 38 SER HB3 2.800 . 3.800 2.800 2.449 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
424 1 38 SER HB2 1 40 CYS H 3.800 . 5.600 5.261 4.545 5.651 0.051 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
425 1 38 SER HB3 1 40 CYS H 3.800 . 5.600 4.977 4.660 5.398 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
426 1 39 PRO HA 1 39 PRO HB3 2.800 . 3.800 2.281 2.253 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
427 1 39 PRO HA 1 40 CYS H 2.900 . 3.900 3.503 3.420 3.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
428 1 39 PRO HB2 1 39 PRO QD 2.600 . 3.500 3.390 2.627 3.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
429 1 39 PRO HB2 1 40 CYS H 3.400 . 4.800 2.458 2.219 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
430 1 39 PRO HB2 1 53 LEU QD 2.400 . 3.100 1.765 1.618 2.086 0.082 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
431 1 39 PRO HB2 1 58 ALA MB 2.600 . 3.400 3.076 2.529 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
432 1 39 PRO HB3 1 39 PRO HD3 2.400 . 3.100 3.047 2.774 4.066 0.966 27 9 "[ . -1 . 2 . + 3 . * 4 * 5** .*** 6]" 1
433 1 39 PRO HB3 1 39 PRO HG2 2.400 . 3.100 2.935 2.585 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
434 1 39 PRO HB3 1 39 PRO HG3 2.200 . 2.800 2.304 2.215 2.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
435 1 39 PRO HB3 1 40 CYS H 3.300 . 4.700 4.102 3.927 4.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
436 1 39 PRO HB3 1 41 LYS H 3.700 . 5.400 5.124 4.155 5.826 0.426 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
437 1 39 PRO HB3 1 53 LEU QD 2.300 . 2.900 2.842 2.033 3.488 0.588 6 1 "[ .+ 1 . 2 . 3 . 4 . 5 . 6]" 1
438 1 39 PRO HB3 1 61 VAL MG2 2.800 . 3.800 2.796 2.084 4.634 0.834 12 1 "[ . 1 + . 2 . 3 . 4 . 5 . 6]" 1
439 1 39 PRO HB3 1 58 ALA HA 2.800 . 3.800 2.636 1.968 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
440 1 39 PRO HB3 1 58 ALA MB 2.700 . 3.600 2.942 1.854 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
441 1 39 PRO QD 1 39 PRO HG2 2.300 . 3.000 2.239 2.157 2.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
442 1 39 PRO QD 1 53 LEU QD 3.100 . 4.300 4.171 3.681 4.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
443 1 39 PRO HD2 1 39 PRO HG3 2.100 . 2.700 2.695 2.623 2.991 0.291 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
444 1 39 PRO HD2 1 40 CYS H 2.900 . 3.900 3.063 2.383 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
445 1 39 PRO HD2 1 53 LEU QD 2.900 . 3.900 3.427 2.278 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
446 1 39 PRO HD3 1 40 CYS H 2.700 . 3.600 4.021 3.695 4.113 0.513 10 2 "[ . + . 2 . 3 - . 4 . 5 . 6]" 1
447 1 39 PRO HD3 1 61 VAL MG2 2.900 . 3.900 3.071 1.963 4.007 0.107 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
448 1 39 PRO HG2 1 53 LEU QD 2.800 . 3.800 3.133 2.579 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
449 1 39 PRO HG3 1 40 CYS H 3.400 . 4.800 4.110 3.860 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
450 1 39 PRO HG3 1 53 LEU QD 2.800 . 3.800 3.751 3.424 4.003 0.203 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
451 1 40 CYS H 1 40 CYS HA 2.700 . 3.600 2.841 2.798 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
452 1 40 CYS H 1 40 CYS QB 2.600 . 3.100 2.534 2.149 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
453 1 40 CYS H 1 41 LYS H 3.600 . 5.200 4.451 4.205 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
454 1 40 CYS H 1 42 TRP H 3.600 . 5.200 4.606 4.047 4.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
455 1 40 CYS H 1 53 LEU HA 3.300 . 4.700 4.182 3.914 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
456 1 40 CYS H 1 53 LEU QD 3.800 . 5.600 3.106 2.841 3.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
457 1 40 CYS H 1 54 ASP H 3.700 . 5.400 4.701 4.085 5.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
458 1 40 CYS HA 1 40 CYS QB 2.500 . 3.300 2.318 2.254 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
459 1 40 CYS HA 1 41 LYS H 2.200 . 2.800 2.583 2.201 2.912 0.112 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
460 1 40 CYS HA 1 52 THR H 3.800 . 5.600 4.926 4.391 5.639 0.039 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
461 1 40 CYS HA 1 53 LEU HA 2.300 . 3.000 1.620 1.494 1.876 0.106 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
462 1 40 CYS HA 1 53 LEU QD 2.700 . 3.600 2.211 1.774 2.571 0.026 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
463 1 40 CYS HA 1 54 ASP H 2.700 . 3.600 2.742 1.861 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
464 1 40 CYS QB 1 41 LYS H 2.500 . 3.300 2.209 1.698 2.923 0.102 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
465 1 41 LYS H 1 41 LYS HA 2.700 . 3.600 2.889 2.797 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
466 1 41 LYS H 1 41 LYS QB 2.500 . 3.300 2.658 2.338 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
467 1 41 LYS H 1 41 LYS HG3 3.600 . 5.200 4.552 2.789 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
468 1 41 LYS H 1 51 CYS HA 3.600 . 5.200 4.059 3.265 4.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
469 1 41 LYS H 1 52 THR H 2.900 . 3.900 3.006 2.450 3.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
470 1 41 LYS H 1 52 THR MG 3.800 . 5.600 5.177 5.017 5.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
471 1 41 LYS H 1 53 LEU HA 3.000 . 4.100 3.403 2.631 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
472 1 41 LYS H 1 54 ASP H 3.400 . 4.900 4.394 3.403 4.969 0.069 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
473 1 41 LYS HA 1 41 LYS QB 2.200 . 2.800 2.372 2.315 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
474 1 41 LYS HA 1 41 LYS QD 3.100 . 4.300 3.535 1.930 4.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
475 1 41 LYS HA 1 41 LYS HG2 3.000 . 4.100 3.202 2.412 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
476 1 41 LYS HA 1 41 LYS HG3 2.900 . 3.900 2.784 2.492 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
477 1 41 LYS HA 1 42 TRP H 2.000 . 2.500 2.121 2.090 2.186 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
478 1 41 LYS HA 1 42 TRP HA 3.100 . 4.300 4.361 4.335 4.380 0.080 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
479 1 41 LYS QB 1 41 LYS HE2 2.200 . 2.800 2.202 1.876 3.340 0.540 28 1 "[ . 1 . 2 . + 3 . 4 . 5 . 6]" 1
480 1 41 LYS QB 1 41 LYS HG2 2.300 . 3.000 2.300 2.160 2.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
481 1 41 LYS QB 1 41 LYS HG3 2.200 . 2.800 2.343 2.158 2.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
482 1 41 LYS QB 1 42 TRP H 2.900 . 3.900 3.744 3.190 3.917 0.017 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
483 1 41 LYS QB 1 52 THR H 3.600 . 5.200 3.434 2.936 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
484 1 41 LYS QB 1 54 ASP H 3.400 . 4.800 4.158 3.262 4.925 0.125 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
485 1 41 LYS HB2 1 54 ASP HB2 2.600 . 3.400 2.702 1.796 4.283 0.883 59 3 "[ *. 1 . 2 . 3 .- 4 . 5 . +6]" 1
486 1 41 LYS QD 1 41 LYS HE2 2.200 . 2.800 2.128 2.118 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
487 1 41 LYS QD 1 54 ASP HB2 3.000 . 4.100 3.496 1.968 4.831 0.731 36 1 "[ . 1 . 2 . 3 .+ 4 . 5 . 6]" 1
488 1 41 LYS QE 1 41 LYS HG2 2.600 . 3.400 2.830 2.348 3.484 0.084 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
489 1 41 LYS QE 1 41 LYS HG3 2.500 . 3.300 3.088 2.352 3.486 0.186 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
490 1 41 LYS QE 1 41 LYS HG3 2.700 . 3.600 2.566 2.126 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
491 1 41 LYS HG2 1 42 TRP H 3.700 . 5.400 3.903 2.995 5.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
492 1 42 TRP H 1 42 TRP HB2 2.500 . 3.300 2.565 2.428 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
493 1 42 TRP H 1 42 TRP HB3 2.500 . 3.300 2.544 2.470 2.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
494 1 42 TRP HA 1 42 TRP HB2 2.600 . 3.400 2.484 2.443 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
495 1 42 TRP HA 1 42 TRP HB3 2.700 . 3.600 3.023 3.015 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
496 1 42 TRP HA 1 42 TRP HE3 2.800 . 3.800 2.081 1.847 2.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
497 1 42 TRP HA 1 43 HIS H 2.400 . 3.100 2.204 2.130 2.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
498 1 42 TRP HA 1 51 CYS HA 2.600 . 3.400 2.618 2.219 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
499 1 42 TRP HA 1 52 THR H 3.500 . 5.000 4.077 3.516 4.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
500 1 42 TRP HB2 1 42 TRP HD1 2.700 . 3.600 3.542 3.438 3.629 0.029 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
501 1 42 TRP HB2 1 42 TRP HE3 2.800 . 3.800 3.064 2.906 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
502 1 42 TRP HB3 1 42 TRP HD1 2.600 . 3.500 2.551 2.542 2.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
503 1 42 TRP HB3 1 42 TRP HE3 3.100 . 4.300 4.220 4.190 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
504 1 42 TRP HE1 1 44 ASN HA 2.800 . 3.800 3.731 3.109 3.948 0.148 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
505 1 42 TRP HE1 1 44 ASN QB 2.800 . 3.800 3.452 2.497 3.910 0.110 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
506 1 42 TRP HE3 1 51 CYS HA 3.000 . 4.100 2.877 2.447 3.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
507 1 42 TRP HE3 1 51 CYS HB2 2.500 . 3.300 2.104 1.834 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
508 1 42 TRP HE3 1 51 CYS HB3 2.800 . 3.800 3.797 3.511 3.895 0.095 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
509 1 42 TRP HZ2 1 49 LYS HB3 3.000 . 4.100 2.249 1.497 3.682 0.403 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
510 1 42 TRP HZ2 1 49 LYS HG3 3.000 . 4.100 3.322 2.437 4.923 0.823 5 1 "[ + 1 . 2 . 3 . 4 . 5 . 6]" 1
511 1 42 TRP HZ3 1 51 CYS HB2 2.600 . 3.400 2.265 1.850 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
512 1 42 TRP HZ3 1 51 CYS HB3 2.800 . 3.800 3.522 3.048 3.915 0.115 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
513 1 43 HIS H 1 43 HIS HA 2.900 . 4.000 2.933 2.845 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
514 1 43 HIS H 1 43 HIS HB2 3.200 . 4.500 2.624 2.363 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
515 1 43 HIS H 1 43 HIS HB3 2.900 . 4.000 3.726 2.636 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
516 1 43 HIS H 1 51 CYS HA 4.100 . 6.000 3.322 2.075 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
517 1 43 HIS HA 1 44 ASN H 3.000 . 4.100 2.141 2.104 2.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
518 1 43 HIS HB2 1 43 HIS HD2 2.900 . 4.000 2.691 2.674 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
519 1 43 HIS HB2 1 46 ALA MB 2.500 . 3.300 2.941 2.193 3.659 0.359 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
520 1 43 HIS HB3 1 43 HIS HD2 2.800 . 3.800 3.689 3.654 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
521 1 43 HIS HB3 1 46 ALA MB 2.700 . 3.600 2.765 1.917 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
522 1 43 HIS HD2 1 52 THR H 3.500 . 5.100 3.312 2.437 5.251 0.151 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
523 1 43 HIS HD2 1 52 THR MG 2.500 . 3.300 2.759 2.145 3.329 0.029 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
524 1 44 ASN H 1 44 ASN QB 3.500 . 5.000 2.515 2.220 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
525 1 44 ASN QB 1 44 ASN HD21 2.800 . 3.800 2.187 2.085 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
526 1 45 ASP HA 1 45 ASP QB 2.000 . 2.500 2.362 2.180 2.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
527 1 46 ALA HA 1 46 ALA MB 2.000 . 2.500 2.115 2.077 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
528 1 46 ALA HA 1 47 GLU H 2.400 . 3.100 2.651 2.180 3.219 0.119 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
529 1 46 ALA MB 1 47 GLU H 2.600 . 3.500 2.864 1.679 3.685 0.185 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
530 1 46 ALA MB 1 48 ASN H 3.200 . 4.500 2.834 2.142 4.532 0.032 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
531 1 46 ALA MB 1 50 LYS H 2.900 . 3.900 2.578 2.014 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
532 1 46 ALA MB 1 50 LYS HA 2.900 . 3.900 3.973 3.893 4.107 0.207 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
533 1 46 ALA MB 1 50 LYS HG2 2.500 . 3.300 2.590 1.691 3.331 0.031 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
534 1 46 ALA MB 1 50 LYS HG3 2.400 . 3.100 2.227 1.648 3.288 0.188 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
535 1 47 GLU H 1 47 GLU HA 2.300 . 2.900 2.365 2.158 2.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
536 1 47 GLU H 1 47 GLU HB2 3.100 . 4.300 3.041 2.399 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
537 1 47 GLU H 1 47 GLU HB3 2.800 . 3.800 3.550 2.487 4.134 0.334 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
538 1 47 GLU H 1 47 GLU QG 3.000 . 4.100 2.939 1.894 4.419 0.319 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
539 1 47 GLU H 1 48 ASN H 2.900 . 3.900 2.906 2.397 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
540 1 47 GLU H 1 48 ASN QB 3.800 . 5.600 5.321 4.977 5.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
541 1 47 GLU HA 1 47 GLU HB3 2.500 . 3.300 2.607 2.345 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
542 1 47 GLU HA 1 48 ASN H 3.000 . 4.100 3.344 2.382 3.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
543 1 47 GLU HB2 1 48 ASN H 3.400 . 4.800 3.326 2.553 4.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
544 1 47 GLU HB2 1 48 ASN HD22 4.100 . 6.000 4.262 3.291 6.066 0.066 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
545 1 47 GLU HB3 1 48 ASN H 3.300 . 4.700 3.743 2.556 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
546 1 47 GLU HB3 1 48 ASN HD21 3.800 . 5.600 3.757 2.771 5.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
547 1 47 GLU HB3 1 48 ASN HD22 4.100 . 6.000 4.219 2.887 6.018 0.018 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
548 1 48 ASN H 1 48 ASN HA 2.700 . 3.600 2.781 2.280 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
549 1 48 ASN H 1 48 ASN QB 3.000 . 4.100 3.158 2.411 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
550 1 48 ASN H 1 49 LYS H 1.800 . 2.200 2.064 1.490 2.365 0.165 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
551 1 48 ASN HA 1 48 ASN HD21 3.100 . 4.300 3.597 1.911 4.326 0.026 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
552 1 48 ASN HA 1 49 LYS H 2.800 . 3.800 2.849 2.647 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
553 1 48 ASN QB 1 48 ASN HD21 2.800 . 3.800 2.502 2.076 2.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
554 1 48 ASN QB 1 48 ASN HD22 2.800 . 3.800 3.380 3.228 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
555 1 48 ASN QB 1 49 LYS H 3.200 . 4.500 3.886 2.479 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
556 1 48 ASN HD21 1 49 LYS H 3.600 . 5.200 4.312 2.590 5.306 0.106 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
557 1 49 LYS H 1 49 LYS HA 2.600 . 3.500 2.285 2.265 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
558 1 49 LYS H 1 49 LYS QD 3.300 . 4.600 2.757 2.098 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
559 1 49 LYS H 1 49 LYS HG2 3.400 . 4.800 3.497 2.912 4.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
560 1 49 LYS H 1 49 LYS QG 3.100 . 4.300 2.332 1.868 3.165 0.032 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
561 1 49 LYS H 1 49 LYS HG3 3.200 . 4.500 4.206 3.502 4.585 0.085 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
562 1 49 LYS H 1 49 LYS HG3 3.100 . 4.300 2.438 1.888 3.468 0.012 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
563 1 49 LYS HA 1 49 LYS HB2 2.800 . 3.800 3.023 3.009 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
564 1 49 LYS HA 1 49 LYS HB3 2.700 . 3.600 2.478 2.355 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
565 1 49 LYS HA 1 49 LYS QD 2.400 . 3.100 2.323 1.940 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
566 1 49 LYS HA 1 50 LYS H 2.300 . 3.000 2.192 2.141 2.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
567 1 50 LYS H 1 50 LYS HA 3.000 . 4.100 2.923 2.834 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
568 1 50 LYS H 1 50 LYS HG2 2.900 . 4.000 3.585 2.475 4.309 0.309 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
569 1 50 LYS H 1 50 LYS HG3 3.100 . 4.300 3.633 2.500 4.404 0.104 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
570 1 50 LYS HA 1 50 LYS HG2 3.000 . 4.200 2.833 2.343 4.214 0.014 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
571 1 51 CYS HA 1 51 CYS HB2 2.700 . 3.600 2.488 2.427 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
572 1 51 CYS HA 1 51 CYS HB3 2.800 . 3.800 3.025 2.898 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
573 1 51 CYS HA 1 52 THR H 2.200 . 2.800 2.269 2.155 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
574 1 52 THR H 1 52 THR HB 3.400 . 4.800 3.829 3.642 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
575 1 52 THR H 1 52 THR MG 2.400 . 3.100 2.868 2.369 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
576 1 52 THR H 1 53 LEU H 2.100 . 6.000 4.394 4.229 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
577 1 52 THR HA 1 52 THR MG 2.300 . 3.000 2.351 2.189 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
578 1 52 THR HA 1 53 LEU H 2.300 . 3.000 2.182 2.119 2.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
579 1 52 THR HB 1 52 THR MG 2.300 . 2.900 2.122 2.091 2.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
580 1 52 THR HB 1 53 LEU H 2.400 . 3.100 2.978 2.685 3.169 0.069 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
581 1 52 THR HB 1 55 LYS H 3.300 . 6.000 5.836 5.667 5.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
582 1 52 THR MG 1 53 LEU H 2.900 . 4.000 3.864 3.737 3.960 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
583 1 53 LEU H 1 53 LEU HA 2.900 . 3.900 2.806 2.759 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
584 1 53 LEU H 1 53 LEU HB2 2.500 . 3.300 2.380 2.263 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
585 1 53 LEU H 1 53 LEU HB3 2.500 . 3.300 2.601 2.470 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
586 1 53 LEU H 1 53 LEU QD 3.200 . 4.500 3.595 3.485 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
587 1 53 LEU H 1 53 LEU HG 3.200 . 4.500 4.535 4.423 4.600 0.100 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
588 1 53 LEU H 1 54 ASP H 3.200 . 4.500 4.586 4.545 4.608 0.108 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
589 1 53 LEU HA 1 53 LEU HB2 2.600 . 3.400 2.506 2.437 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
590 1 53 LEU HA 1 53 LEU HB3 2.800 . 3.800 3.009 3.002 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
591 1 53 LEU HA 1 53 LEU QD 2.200 . 2.800 1.860 1.638 2.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
592 1 53 LEU HA 1 53 LEU HG 2.700 . 3.600 3.623 2.797 3.703 0.103 34 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
593 1 53 LEU HA 1 54 ASP H 2.200 . 2.800 2.193 2.137 2.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
594 1 53 LEU HB2 1 53 LEU QD 2.500 . 2.900 2.396 2.136 2.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
595 1 53 LEU HB2 1 53 LEU HG 2.400 . 3.100 2.377 2.296 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
596 1 53 LEU HB2 1 54 ASP H 3.400 . 4.800 4.115 4.080 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
597 1 53 LEU HB3 1 53 LEU QD 2.100 . 2.700 2.144 2.026 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
598 1 53 LEU HB3 1 53 LEU HG 2.300 . 3.000 2.530 2.489 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
599 1 53 LEU HB3 1 54 ASP H 3.300 . 4.600 3.879 3.791 4.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
600 1 53 LEU QD 1 53 LEU HG 2.000 . 2.500 1.866 1.846 1.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
601 1 53 LEU QD 1 54 ASP H 2.300 . 3.000 1.844 1.572 2.923 0.328 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
602 1 53 LEU QD 1 55 LYS HA 2.900 . 4.000 3.067 2.868 3.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
603 1 53 LEU QD 1 55 LYS HA 3.000 . 4.100 2.902 2.740 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
604 1 53 LEU QD 1 57 GLU H 3.200 . 4.500 3.318 2.883 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
605 1 53 LEU QD 1 58 ALA H 4.200 . 6.000 3.397 2.935 4.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
606 1 53 LEU QD 1 58 ALA MB 2.400 . 3.100 2.120 1.613 2.683 0.087 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
607 1 53 LEU HG 1 54 ASP H 3.000 . 4.100 4.070 2.485 4.236 0.136 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
608 1 54 ASP H 1 54 ASP HA 2.400 . 3.100 2.944 2.918 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
609 1 54 ASP H 1 54 ASP HB2 2.600 . 3.400 3.057 2.767 3.659 0.259 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
610 1 54 ASP H 1 54 ASP HB3 2.600 . 3.400 2.682 2.521 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
611 1 54 ASP H 1 55 LYS H 2.800 . 6.000 4.378 4.238 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
612 1 54 ASP H 1 57 GLU QB 3.700 . 5.400 3.514 3.101 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
613 1 54 ASP H 1 58 ALA H 3.000 . 4.100 4.124 3.867 4.217 0.117 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
614 1 54 ASP HA 1 54 ASP HB2 2.900 . 3.900 2.479 2.433 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
615 1 54 ASP HA 1 55 LYS H 2.200 . 2.800 2.169 2.147 2.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
616 1 54 ASP HA 1 56 GLU H 3.300 . 4.600 4.164 3.971 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
617 1 54 ASP HB2 1 55 LYS H 3.500 . 5.000 4.171 3.212 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
618 1 54 ASP HB2 1 56 GLU H 4.100 . 6.000 4.210 2.980 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
619 1 54 ASP HB2 1 57 GLU H 3.300 . 4.700 4.139 2.828 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
620 1 54 ASP HB2 1 57 GLU QB 2.900 . 3.900 3.549 3.180 3.905 0.005 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
621 1 54 ASP HB2 1 58 ALA H 3.600 . 5.200 4.952 4.017 5.240 0.040 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
622 1 54 ASP HB3 1 55 LYS H 3.400 . 4.800 4.125 4.008 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
623 1 54 ASP HB3 1 57 GLU H 3.000 . 4.100 2.876 2.583 4.458 0.358 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
624 1 54 ASP HB3 1 57 GLU QB 2.600 . 3.400 2.132 1.788 3.999 0.599 36 3 "[ *. 1 . 2 . 3 .+ 4 . 5 . -6]" 1
625 1 54 ASP HB3 1 58 ALA H 3.300 . 4.700 3.687 3.310 5.269 0.569 36 2 "[ -. 1 . 2 . 3 .+ 4 . 5 . 6]" 1
626 1 55 LYS H 1 55 LYS HA 2.700 . 3.600 2.817 2.781 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
627 1 55 LYS H 1 55 LYS HB2 2.700 . 3.600 2.719 2.158 3.602 0.002 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
628 1 55 LYS H 1 55 LYS HB3 2.500 . 3.300 3.380 2.533 3.604 0.304 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
629 1 55 LYS H 1 55 LYS HG3 2.900 . 3.900 2.910 2.063 4.071 0.171 34 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
630 1 55 LYS H 1 56 GLU H 2.700 . 3.600 2.709 2.590 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
631 1 55 LYS H 1 56 GLU QB 3.800 . 5.600 4.388 4.198 4.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
632 1 55 LYS H 1 58 ALA H 2.400 . 6.000 4.711 4.527 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
633 1 55 LYS HA 1 56 GLU H 2.400 . 3.100 2.698 2.666 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
634 1 55 LYS QB 1 57 GLU H 3.600 . 5.200 4.377 4.094 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
635 1 55 LYS QB 1 58 ALA H 3.700 . 5.400 4.241 4.096 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
636 1 55 LYS QB 1 58 ALA MB 2.700 . 3.600 3.639 3.533 3.774 0.174 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
637 1 55 LYS HB3 1 56 GLU H 2.900 . 3.900 3.614 2.567 3.950 0.050 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
638 1 55 LYS QG 1 56 GLU H 3.400 . 4.800 3.470 1.958 4.130 0.042 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
639 1 56 GLU H 1 56 GLU HA 2.400 . 3.100 2.796 2.752 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
640 1 56 GLU H 1 56 GLU QB 2.300 . 3.000 2.340 2.094 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
641 1 56 GLU H 1 56 GLU QG 2.800 . 6.000 3.171 2.006 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
642 1 56 GLU HA 1 56 GLU QB 2.000 . 2.500 2.360 2.322 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
643 1 56 GLU HA 1 56 GLU QG 2.300 . 3.000 2.630 2.417 3.013 0.013 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
644 1 56 GLU QB 1 59 LYS H 3.900 . 5.800 4.215 3.958 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
645 1 57 GLU H 1 57 GLU HA 2.300 . 3.000 2.833 2.807 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
646 1 57 GLU H 1 57 GLU QG 2.800 . 6.000 3.331 2.101 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
647 1 57 GLU H 1 60 LYS H 3.700 . 5.400 3.979 3.786 4.161 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
648 1 57 GLU H 1 58 ALA MB 3.500 . 5.100 4.260 4.153 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
649 1 57 GLU H 1 59 LYS H 3.400 . 4.900 3.953 3.720 4.101 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
650 1 57 GLU H 1 59 LYS QD 3.600 . 5.200 5.209 5.077 5.348 0.148 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
651 1 57 GLU HA 1 57 GLU QB 2.000 . 2.500 2.367 2.336 2.442 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
652 1 57 GLU HA 1 61 VAL MG2 2.500 . 3.300 3.096 2.462 4.188 0.888 23 9 "[* . 1 * . 2 + . *3 . *4 .* *5 *. -6]" 1
653 1 57 GLU HA 1 63 ASP H 3.000 . 6.000 6.045 5.950 6.093 0.093 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
654 1 57 GLU QB 1 58 ALA H 2.800 . 3.700 2.493 2.356 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
655 1 57 GLU QG 1 58 ALA H 3.300 . 4.700 3.773 3.418 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
656 1 58 ALA H 1 58 ALA HA 2.300 . 2.900 2.793 2.756 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
657 1 58 ALA H 1 58 ALA MB 2.000 . 2.500 2.173 2.030 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
658 1 58 ALA H 1 59 LYS H 2.700 . 3.600 2.776 2.678 2.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
659 1 58 ALA H 1 59 LYS QD 4.100 . 6.000 5.418 4.114 5.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
660 1 58 ALA H 1 59 LYS HG3 3.600 . 5.200 5.096 4.008 6.075 0.875 45 7 "[ * * 1 . 2* . - 3 . 4 + 5 *. *6]" 1
661 1 58 ALA H 1 61 VAL H 3.600 . 5.200 4.581 4.070 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
662 1 58 ALA H 1 61 VAL MG2 4.100 . 6.000 4.666 4.061 6.200 0.200 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
663 1 58 ALA HA 1 58 ALA MB 1.800 . 2.200 2.116 2.082 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
664 1 58 ALA HA 1 59 LYS H 2.400 . 6.000 3.548 3.505 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
665 1 58 ALA HA 1 62 ALA H 3.000 . 4.200 3.387 3.281 3.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
666 1 58 ALA HA 1 61 VAL H 2.700 . 3.600 3.567 3.355 3.650 0.050 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
667 1 58 ALA HA 1 61 VAL HB 2.400 . 3.100 2.986 2.686 3.170 0.070 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
668 1 58 ALA HA 1 61 VAL MG2 2.700 . 3.600 3.227 2.486 4.287 0.687 23 9 "[* . 1 * . 2 + . *3 . *4 .* *5 *. -6]" 1
669 1 58 ALA MB 1 59 LYS H 2.300 . 3.000 2.532 2.353 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
670 1 59 LYS H 1 59 LYS HD2 3.000 . 4.200 3.172 2.117 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
671 1 59 LYS H 1 59 LYS HA 2.200 . 2.800 2.809 2.798 2.824 0.024 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
672 1 59 LYS H 1 59 LYS QB 2.400 . 3.100 2.482 2.324 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
673 1 59 LYS H 1 59 LYS QB 2.400 . 3.100 2.125 2.016 2.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
674 1 59 LYS H 1 59 LYS QD 3.900 . 5.800 3.640 2.244 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
675 1 59 LYS H 1 59 LYS HG3 3.500 . 5.000 2.925 2.020 3.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
676 1 59 LYS HA 1 60 LYS H 2.500 . 6.000 3.538 3.495 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
677 1 59 LYS HA 1 63 ASP HB2 2.600 . 3.400 2.781 2.422 3.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
678 1 59 LYS QB 1 63 ASP H 3.900 . 5.800 4.330 4.201 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
679 1 59 LYS QB 1 62 ALA H 3.900 . 5.800 5.094 4.885 5.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
680 1 59 LYS HG3 1 63 ASP H 4.100 . 6.000 5.358 4.668 6.405 0.405 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
681 1 60 LYS H 1 60 LYS QD 3.900 . 5.800 4.033 3.224 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
682 1 60 LYS H 1 60 LYS HG2 3.000 . 4.100 3.696 2.007 4.539 0.439 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
683 1 60 LYS H 1 60 LYS HG3 3.100 . 4.300 3.392 2.068 4.510 0.210 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
684 1 60 LYS H 1 61 VAL H 2.700 . 3.600 2.695 2.557 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
685 1 60 LYS HA 1 60 LYS HG2 2.500 . 3.300 2.879 2.392 3.862 0.562 50 5 "[ - . 1 * . * * . 3 . 4 . + . 6]" 1
686 1 60 LYS HA 1 61 VAL H 2.200 . 6.000 3.552 3.522 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
687 1 60 LYS QB 1 61 VAL H 2.700 . 3.600 2.472 2.297 2.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
688 1 60 LYS QD 1 61 VAL H 4.200 . 6.000 4.650 3.523 5.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
689 1 60 LYS HG2 1 61 VAL H 3.300 . 4.600 4.415 3.277 5.051 0.451 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
690 1 60 LYS HG3 1 61 VAL H 3.700 . 5.400 4.451 3.241 4.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
691 1 61 VAL H 1 61 VAL HA 2.500 . 3.300 2.809 2.767 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
692 1 61 VAL H 1 61 VAL HB 2.400 . 3.100 2.519 2.275 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
693 1 61 VAL H 1 61 VAL MG2 2.200 . 2.800 2.378 1.846 3.729 0.929 39 9 "[* . 1 * . 2 * . *3 . +4 .* *5 -. *6]" 1
694 1 61 VAL H 1 62 ALA H 2.900 . 4.000 2.710 2.626 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
695 1 61 VAL H 1 63 ASP H 2.900 . 4.000 4.058 3.795 4.137 0.137 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
696 1 61 VAL HA 1 61 VAL HB 2.300 . 3.000 2.955 2.567 3.022 0.022 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
697 1 61 VAL HA 1 61 VAL MG2 2.000 . 2.500 2.340 2.029 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
698 1 61 VAL HA 1 62 ALA H 2.200 . 6.000 3.540 3.495 3.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
699 1 61 VAL HA 1 63 ASP H 4.300 . 6.000 4.375 3.875 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
700 1 61 VAL HA 1 64 GLU H 3.500 . 5.000 4.526 3.514 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
701 1 61 VAL HB 1 61 VAL MG2 2.000 . 2.500 2.102 2.083 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
702 1 61 VAL HB 1 62 ALA H 2.800 . 3.700 2.687 2.373 3.757 0.057 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
703 1 61 VAL MG2 1 62 ALA H 2.800 . 3.800 3.806 3.695 3.995 0.195 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
704 1 61 VAL MG2 1 63 ASP H 3.700 . 5.400 5.298 5.039 5.476 0.076 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
705 1 62 ALA H 1 62 ALA HA 2.600 . 3.400 2.824 2.784 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
706 1 62 ALA H 1 62 ALA MB 2.100 . 2.600 2.096 2.026 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
707 1 62 ALA HA 1 63 ASP H 2.400 . 6.000 3.514 3.429 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
708 1 62 ALA MB 1 63 ASP H 2.600 . 3.500 2.707 2.483 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
709 1 63 ASP H 1 63 ASP HA 2.700 . 3.600 2.867 2.695 2.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
710 1 63 ASP H 1 63 ASP QB 2.400 . 3.100 2.336 2.246 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
711 1 63 ASP H 1 63 ASP QB 2.400 . 3.100 2.217 2.082 2.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
712 1 63 ASP H 1 64 GLU H 2.400 . 3.100 3.075 2.396 3.222 0.122 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
713 1 63 ASP H 1 65 THR MG 3.900 . 5.800 5.481 4.263 5.906 0.106 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
714 1 63 ASP HA 1 63 ASP QB 2.000 . 2.500 2.097 2.005 2.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
715 1 63 ASP HA 1 64 GLU H 2.400 . 3.100 2.951 2.650 3.483 0.383 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
716 1 63 ASP HA 1 65 THR H 4.200 . 6.000 4.219 2.844 5.063 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
717 1 63 ASP HA 1 66 ALA H 4.100 . 6.000 4.803 2.846 6.101 0.101 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
718 1 63 ASP QB 1 64 GLU H 2.800 . 3.800 3.553 1.754 3.912 0.112 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
719 1 63 ASP QB 1 65 THR H 4.000 . 6.000 4.771 2.734 5.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
720 1 64 GLU H 1 64 GLU HB2 2.600 . 3.400 3.203 2.326 4.032 0.632 16 16 "[ * . -* 1** .+ * * .* ** . * 4 . * ** *]" 1
721 1 64 GLU H 1 64 GLU HB3 2.900 . 4.000 3.390 2.344 4.047 0.047 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
722 1 64 GLU H 1 64 GLU HG2 3.100 . 4.300 3.592 1.980 4.527 0.227 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
723 1 64 GLU H 1 64 GLU HG3 3.100 . 4.300 3.568 2.428 4.603 0.303 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
724 1 64 GLU H 1 65 THR H 2.700 . 3.600 2.263 1.832 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
725 1 64 GLU H 1 66 ALA H 3.000 . 4.100 3.688 2.473 4.325 0.225 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
726 1 64 GLU H 1 66 ALA MB 3.400 . 4.900 4.476 3.327 5.067 0.167 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
727 1 64 GLU H 1 67 LYS H 3.200 . 4.400 4.131 2.974 4.644 0.244 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
728 1 64 GLU HA 1 65 THR H 2.300 . 3.000 2.547 2.164 2.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
729 1 64 GLU HB2 1 65 THR H 3.400 . 4.800 3.745 2.370 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
730 1 64 GLU HB3 1 65 THR H 3.300 . 4.700 3.841 2.257 4.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
731 1 65 THR H 1 65 THR HA 2.600 . 3.500 2.671 2.267 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
732 1 65 THR H 1 65 THR HB 2.600 . 6.000 3.603 2.652 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
733 1 65 THR H 1 65 THR MG 2.800 . 3.800 2.349 1.890 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
734 1 65 THR H 1 66 ALA MB 3.300 . 4.700 4.137 3.184 4.801 0.101 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
735 1 65 THR HA 1 65 THR MG 2.300 . 3.000 2.646 2.249 3.184 0.184 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
736 1 65 THR HA 1 66 ALA H 2.400 . 3.100 2.803 2.579 3.376 0.276 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
737 1 65 THR MG 1 66 ALA H 3.400 . 4.900 4.058 2.066 4.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
738 1 66 ALA H 1 66 ALA MB 2.400 . 3.100 2.799 2.171 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
739 1 67 LYS H 1 67 LYS HA 2.500 . 3.300 2.596 2.260 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
740 1 67 LYS H 1 67 LYS HB2 3.000 . 4.100 3.009 2.294 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
741 1 67 LYS H 1 67 LYS HB3 2.800 . 3.800 3.521 2.365 4.130 0.330 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
742 1 67 LYS H 1 67 LYS QG 2.800 . 3.800 2.958 1.907 3.978 0.178 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
743 1 67 LYS H 1 68 ASP H 2.500 . 3.300 2.871 2.456 3.331 0.031 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
744 1 67 LYS HA 1 68 ASP H 2.600 . 3.400 3.009 2.612 3.552 0.152 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
745 1 67 LYS HB2 1 68 ASP H 3.400 . 4.800 3.946 2.343 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
746 1 67 LYS HB3 1 68 ASP H 3.400 . 4.800 4.010 2.421 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
747 1 67 LYS QG 1 68 ASP H 3.500 . 5.000 4.249 2.069 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
748 1 68 ASP H 1 68 ASP HA 2.400 . 3.100 2.754 2.269 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
749 1 68 ASP H 1 68 ASP QB 2.800 . 3.800 2.632 2.237 3.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
750 1 68 ASP HA 1 68 ASP QB 2.200 . 2.800 2.332 2.181 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
751 1 68 ASP HA 1 69 GLY H 3.000 . 4.100 2.729 2.146 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
752 1 68 ASP QB 1 69 GLY H 3.500 . 5.000 3.117 1.840 4.050 0.160 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
753 1 69 GLY QA 1 70 LYS H 2.900 . 3.900 2.319 2.103 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
754 1 70 LYS H 1 70 LYS HB3 3.000 . 4.200 3.285 2.425 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
755 1 70 LYS H 1 70 LYS QG 3.200 . 4.500 3.131 1.921 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
756 1 70 LYS HA 1 70 LYS HB3 2.700 . 3.600 2.692 2.394 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
757 1 70 LYS HA 1 71 THR H 2.900 . 3.900 2.848 2.147 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
758 1 70 LYS HB2 1 71 THR H 3.900 . 5.800 3.822 2.343 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
759 1 70 LYS QG 1 71 THR H 3.300 . 4.700 3.831 2.053 4.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
760 1 71 THR H 1 72 GLY H 3.800 . 5.700 3.846 1.957 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
761 1 71 THR HA 1 72 GLY H 3.200 . 4.500 2.637 2.150 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
762 1 72 GLY QA 1 73 ASN H 3.200 . 4.500 2.390 2.111 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
763 1 73 ASN H 1 73 ASN HA 2.200 . 2.800 2.811 2.747 2.889 0.089 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
764 1 73 ASN HA 1 73 ASN HB2 2.900 . 3.900 2.683 2.436 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
765 1 74 THR HA 1 75 ASN H 3.500 . 5.000 2.722 2.160 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
766 1 75 ASN H 1 75 ASN HA 2.100 . 2.700 2.769 2.269 2.877 0.177 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
767 1 75 ASN H 1 78 GLY H 3.100 . 4.300 4.182 3.378 4.434 0.134 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
768 1 75 ASN HA 1 75 ASN HB2 2.700 . 3.600 2.598 2.437 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
769 1 75 ASN HA 1 75 ASN HB3 2.800 . 3.800 2.798 2.412 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
770 1 76 THR HA 1 77 THR H 3.400 . 4.900 2.235 2.124 2.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
771 1 77 THR H 1 78 GLY H 3.800 . 5.600 2.818 2.089 3.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
772 1 77 THR HA 1 78 GLY H 3.800 . 5.600 3.049 2.615 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
773 1 78 GLY H 1 80 SER H 4.400 . 6.000 5.620 4.537 6.072 0.072 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
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