NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390954 |
1ozi   |
5762 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ozi
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 1052
_Distance_constraint_stats_list.Viol_count 2898
_Distance_constraint_stats_list.Viol_total 16376.928
_Distance_constraint_stats_list.Viol_max 6.111
_Distance_constraint_stats_list.Viol_rms 0.1694
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0173
_Distance_constraint_stats_list.Viol_average_violations_only 0.1884
_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 LYS 1.008 0.112 9 0 "[ . 1 . 2 . 3]"
1 2 PRO 2.459 0.145 26 0 "[ . 1 . 2 . 3]"
1 3 GLY 0.640 0.095 8 0 "[ . 1 . 2 . 3]"
1 4 ASP 23.776 1.351 24 23 "[** **** ********* *- *+.* ***]"
1 5 THR 3.497 0.108 1 0 "[ . 1 . 2 . 3]"
1 6 PHE 0.309 0.052 3 0 "[ . 1 . 2 . 3]"
1 7 GLU 1.464 0.109 3 0 "[ . 1 . 2 . 3]"
1 8 VAL 27.307 1.541 23 22 "[******* **** **** 2* +-* ***3]"
1 9 GLU 2.024 0.138 12 0 "[ . 1 . 2 . 3]"
1 10 LEU 11.753 0.281 16 0 "[ . 1 . 2 . 3]"
1 11 ALA 0.687 0.157 30 0 "[ . 1 . 2 . 3]"
1 12 LYS 10.183 0.574 24 3 "[ - * 1 . 2 +. 3]"
1 13 THR 2.714 0.160 5 0 "[ . 1 . 2 . 3]"
1 14 ASP 0.725 0.126 27 0 "[ . 1 . 2 . 3]"
1 15 GLY 0.977 0.109 24 0 "[ . 1 . 2 . 3]"
1 16 SER 4.645 0.300 13 0 "[ . 1 . 2 . 3]"
1 17 LEU 3.312 0.218 28 0 "[ . 1 . 2 . 3]"
1 18 GLY 6.808 1.079 7 3 "[ . + 1 . * 2 - . 3]"
1 19 ILE 25.396 0.315 3 0 "[ . 1 . 2 . 3]"
1 20 SER 4.967 0.194 8 0 "[ . 1 . 2 . 3]"
1 21 VAL 1.014 0.191 12 0 "[ . 1 . 2 . 3]"
1 22 THR 25.016 1.550 24 20 "[*** ** * *** *. * -****+.* * *]"
1 23 VAL 12.275 0.739 10 8 "[** . + - . * * *. *]"
1 24 LEU 55.347 1.569 21 25 "[****** ***** *.***-*+***** * *]"
1 25 PHE 150.766 6.111 16 30 [***************+-*************]
1 26 ASP 0.192 0.043 30 0 "[ . 1 . 2 . 3]"
1 27 LYS 0.349 0.056 3 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 THR 4.114 0.457 11 0 "[ . 1 . 2 . 3]"
1 33 SER 0.238 0.069 13 0 "[ . 1 . 2 . 3]"
1 34 VAL 2.080 0.168 28 0 "[ . 1 . 2 . 3]"
1 35 ARG 0.167 0.058 1 0 "[ . 1 . 2 . 3]"
1 37 GLY 49.002 4.753 7 21 "[******+ 1 ** ** ******** - *3]"
1 38 GLY 1.160 0.113 4 0 "[ . 1 . 2 . 3]"
1 39 ILE 5.236 0.285 16 0 "[ . 1 . 2 . 3]"
1 40 TYR 2.820 0.224 14 0 "[ . 1 . 2 . 3]"
1 41 VAL 7.033 0.207 16 0 "[ . 1 . 2 . 3]"
1 42 LYS 0.202 0.073 25 0 "[ . 1 . 2 . 3]"
1 43 ALA 2.121 0.105 13 0 "[ . 1 . 2 . 3]"
1 44 ILE 3.868 0.252 19 0 "[ . 1 . 2 . 3]"
1 45 ILE 13.563 1.837 18 4 "[- . * 1 . + 2 * . 3]"
1 46 PRO 7.840 0.700 3 7 "[ + ** 1-* *. 2 .* 3]"
1 47 LYS 10.844 0.700 3 7 "[ + ** 1-* *. 2 .* 3]"
1 48 GLY 7.735 1.837 18 4 "[- . * 1 . + 2 * . 3]"
1 49 ALA 9.729 0.218 28 0 "[ . 1 . 2 . 3]"
1 50 ALA 8.504 0.315 3 0 "[ . 1 . 2 . 3]"
1 51 GLU 4.135 0.216 23 0 "[ . 1 . 2 . 3]"
1 52 SER 2.428 0.080 8 0 "[ . 1 . 2 . 3]"
1 53 ASP 4.898 0.215 22 0 "[ . 1 . 2 . 3]"
1 54 GLY 2.218 0.178 11 0 "[ . 1 . 2 . 3]"
1 55 ARG 26.812 1.541 23 22 "[******* **** **** 2* +-* ***3]"
1 56 ILE 4.123 0.445 10 0 "[ . 1 . 2 . 3]"
1 57 HIS 0.719 0.097 1 0 "[ . 1 . 2 . 3]"
1 58 LYS 0.629 0.222 12 0 "[ . 1 . 2 . 3]"
1 59 GLY 0.133 0.043 4 0 "[ . 1 . 2 . 3]"
1 60 ASP 0.720 0.119 20 0 "[ . 1 . 2 . 3]"
1 61 ARG 126.514 6.111 16 30 [*********-*****+**************]
1 62 VAL 3.622 0.208 10 0 "[ . 1 . 2 . 3]"
1 63 LEU 1.133 0.069 16 0 "[ . 1 . 2 . 3]"
1 64 ALA 6.396 0.198 16 0 "[ . 1 . 2 . 3]"
1 65 VAL 5.717 0.205 16 0 "[ . 1 . 2 . 3]"
1 66 ASN 1.877 0.229 13 0 "[ . 1 . 2 . 3]"
1 67 GLY 3.215 0.172 11 0 "[ . 1 . 2 . 3]"
1 68 VAL 1.096 0.138 28 0 "[ . 1 . 2 . 3]"
1 69 SER 0.238 0.061 25 0 "[ . 1 . 2 . 3]"
1 70 LEU 60.494 4.753 7 21 "[******+ 1 ** ** ******** - *3]"
1 71 GLU 0.708 0.108 4 0 "[ . 1 . 2 . 3]"
1 72 GLY 0.021 0.015 9 0 "[ . 1 . 2 . 3]"
1 73 ALA 7.348 0.215 20 0 "[ . 1 . 2 . 3]"
1 74 THR 1.061 0.211 3 0 "[ . 1 . 2 . 3]"
1 75 HIS 1.227 0.119 1 0 "[ . 1 . 2 . 3]"
1 76 LYS 0.885 0.105 13 0 "[ . 1 . 2 . 3]"
1 77 GLN 6.291 0.679 10 2 "[ . + . 2 . - 3]"
1 78 ALA 6.252 0.176 10 0 "[ . 1 . 2 . 3]"
1 79 VAL 6.697 0.260 23 0 "[ . 1 . 2 . 3]"
1 80 GLU 2.579 0.242 5 0 "[ . 1 . 2 . 3]"
1 81 THR 4.396 0.205 16 0 "[ . 1 . 2 . 3]"
1 82 LEU 8.193 0.291 5 0 "[ . 1 . 2 . 3]"
1 83 ARG 1.539 0.080 19 0 "[ . 1 . 2 . 3]"
1 84 ASN 0.369 0.077 19 0 "[ . 1 . 2 . 3]"
1 85 THR 2.315 0.163 21 0 "[ . 1 . 2 . 3]"
1 86 GLY 0.006 0.006 22 0 "[ . 1 . 2 . 3]"
1 87 GLN 0.716 0.122 30 0 "[ . 1 . 2 . 3]"
1 88 VAL 4.442 0.158 27 0 "[ . 1 . 2 . 3]"
1 89 VAL 5.073 0.206 2 0 "[ . 1 . 2 . 3]"
1 90 HIS 1.061 0.229 13 0 "[ . 1 . 2 . 3]"
1 91 LEU 40.072 1.246 13 28 "[******** *-*+******** ********]"
1 92 LEU 27.659 1.553 30 22 "[* **.**-******. ***** * * * *+]"
1 93 LEU 70.839 1.553 30 30 [*******-*********************+]
1 94 GLU 1.434 0.146 22 0 "[ . 1 . 2 . 3]"
1 95 LYS 2.283 0.145 26 0 "[ . 1 . 2 . 3]"
1 96 GLY 0.107 0.058 20 0 "[ . 1 . 2 . 3]"
1 97 GLN 8.103 0.747 15 7 "[ * .* **1 + 2 * -]"
1 98 VAL 7.918 0.747 15 7 "[ * .* **1 + 2 * -]"
1 99 PRO 0.116 0.043 10 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 LYS HA 1 1 LYS QD 5.000 . 5.000 3.684 1.859 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 LYS HA 1 1 LYS QG 3.500 . 3.500 2.812 2.367 3.529 0.029 16 0 "[ . 1 . 2 . 3]" 1
3 1 1 LYS HA 1 2 PRO QD 3.500 . 3.500 2.605 1.816 3.612 0.112 9 0 "[ . 1 . 2 . 3]" 1
4 1 1 LYS QB 1 2 PRO QD 2.800 . 2.800 2.070 1.380 2.882 0.082 21 0 "[ . 1 . 2 . 3]" 1
5 1 1 LYS QE 1 1 LYS QG 2.800 . 2.800 2.349 2.114 2.826 0.026 29 0 "[ . 1 . 2 . 3]" 1
6 1 1 LYS QG 1 2 PRO QD 5.000 . 5.000 3.449 1.322 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 PRO HA 1 3 GLY H 2.800 . 2.800 2.348 2.078 2.832 0.032 17 0 "[ . 1 . 2 . 3]" 1
8 1 2 PRO HA 1 4 ASP H 5.000 . 5.000 3.569 3.141 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 PRO HA 1 95 LYS HA 5.000 . 5.000 4.582 3.999 5.059 0.059 6 0 "[ . 1 . 2 . 3]" 1
10 1 2 PRO HA 1 95 LYS QB 5.000 . 5.000 2.071 1.281 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 PRO HA 1 95 LYS QE 5.000 . 5.000 4.404 3.565 5.093 0.093 2 0 "[ . 1 . 2 . 3]" 1
12 1 2 PRO HA 1 95 LYS QG 2.800 . 2.800 2.560 1.792 2.945 0.145 26 0 "[ . 1 . 2 . 3]" 1
13 1 2 PRO QD 1 97 GLN QE 7.000 . 7.000 5.296 3.323 7.046 0.046 2 0 "[ . 1 . 2 . 3]" 1
14 1 3 GLY H 1 4 ASP H 3.500 . 3.500 2.219 1.655 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 GLY H 1 95 LYS H 5.000 . 5.000 3.640 3.055 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 GLY H 1 95 LYS QB 3.500 . 3.500 2.173 1.428 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 GLY H 1 95 LYS QD 5.000 . 5.000 4.484 2.108 5.095 0.095 8 0 "[ . 1 . 2 . 3]" 1
18 1 3 GLY H 1 95 LYS QG 7.000 . 7.000 3.614 1.947 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 GLY QA 1 4 ASP H 5.000 . 5.000 2.868 2.634 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 GLY QA 1 94 GLU QG 5.000 . 5.000 2.723 1.932 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 ASP H 1 4 ASP QB 2.800 . 2.800 2.286 2.158 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 ASP H 1 95 LYS H 7.000 . 7.000 3.040 2.396 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 4 ASP H 1 95 LYS QB 3.500 . 3.500 2.461 1.773 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 ASP H 1 95 LYS QG 5.000 . 5.000 3.931 2.321 5.023 0.023 20 0 "[ . 1 . 2 . 3]" 1
25 1 4 ASP HA 1 5 THR H 2.800 . 2.800 2.248 2.102 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 ASP QB 1 5 THR H 3.500 . 3.500 3.388 2.472 3.608 0.108 6 0 "[ . 1 . 2 . 3]" 1
27 1 4 ASP QB 1 93 LEU H 7.000 . 7.000 7.766 7.197 8.351 1.351 24 23 "[** **** ********* *- *+.* ***]" 1
28 1 5 THR H 1 5 THR HB 3.500 . 3.500 3.515 3.430 3.589 0.089 30 0 "[ . 1 . 2 . 3]" 1
29 1 5 THR H 1 5 THR MG 3.500 . 3.500 2.805 2.566 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 5 THR H 1 6 PHE H 7.000 . 7.000 4.333 4.121 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 5 THR HA 1 5 THR HB 2.800 . 2.800 2.557 2.491 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 5 THR HA 1 5 THR MG 2.800 . 2.800 2.246 2.168 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 5 THR HA 1 6 PHE H 2.800 . 2.800 2.128 2.021 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 5 THR HA 1 6 PHE QD 5.000 . 5.000 3.465 2.907 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 THR HA 1 63 LEU QD 5.000 . 5.000 3.655 3.090 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 5 THR HA 1 93 LEU H 5.000 . 5.000 4.587 4.127 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 5 THR HA 1 94 GLU HA 2.800 . 2.800 2.213 1.689 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 5 THR HA 1 94 GLU QB 5.000 . 5.000 3.447 2.738 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 5 THR HA 1 95 LYS H 5.000 . 5.000 3.771 3.232 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 THR HB 1 6 PHE H 3.500 . 3.500 3.268 2.668 3.552 0.052 3 0 "[ . 1 . 2 . 3]" 1
41 1 5 THR HB 1 63 LEU QD 3.500 . 3.500 3.467 3.095 3.552 0.052 2 0 "[ . 1 . 2 . 3]" 1
42 1 5 THR HB 1 92 LEU QD 2.800 . 2.800 2.491 2.022 2.828 0.028 8 0 "[ . 1 . 2 . 3]" 1
43 1 5 THR HB 1 93 LEU H 7.000 . 7.000 5.034 4.464 5.703 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 5 THR HB 1 94 GLU HA 5.000 . 5.000 4.559 4.006 5.009 0.009 7 0 "[ . 1 . 2 . 3]" 1
45 1 5 THR MG 1 6 PHE H 5.000 . 5.000 3.718 3.464 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 5 THR MG 1 63 LEU QD 2.800 . 2.800 1.961 1.697 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 5 THR MG 1 92 LEU QD 2.800 . 2.800 2.821 2.523 2.899 0.099 23 0 "[ . 1 . 2 . 3]" 1
48 1 5 THR MG 1 94 GLU HA 3.500 . 3.500 3.101 2.598 3.515 0.015 24 0 "[ . 1 . 2 . 3]" 1
49 1 5 THR MG 1 94 GLU QB 3.500 . 3.500 2.535 1.902 3.608 0.108 1 0 "[ . 1 . 2 . 3]" 1
50 1 5 THR MG 1 94 GLU QG 5.000 . 5.000 2.686 1.748 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 6 PHE H 1 6 PHE QD 3.500 . 3.500 2.770 1.898 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 6 PHE H 1 7 GLU H 5.000 . 5.000 4.270 3.846 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 6 PHE H 1 92 LEU QD 5.000 . 5.000 3.181 2.697 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 6 PHE H 1 93 LEU H 3.500 . 3.500 3.120 2.854 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 6 PHE H 1 93 LEU QB 7.000 . 7.000 3.760 3.190 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 6 PHE H 1 95 LYS QB 7.000 . 7.000 5.841 4.952 6.861 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 PHE HA 1 7 GLU H 2.800 . 2.800 2.231 1.965 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 6 PHE HA 1 8 VAL H 7.000 . 7.000 5.535 4.887 6.330 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 6 PHE QB 1 7 GLU H 3.500 . 3.500 2.767 2.201 3.513 0.013 25 0 "[ . 1 . 2 . 3]" 1
60 1 6 PHE QD 1 7 GLU H 7.000 . 7.000 3.966 3.454 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 6 PHE QD 1 8 VAL H 7.000 . 7.000 3.970 2.682 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 6 PHE QD 1 8 VAL QG 3.500 . 3.500 2.856 1.989 3.531 0.031 4 0 "[ . 1 . 2 . 3]" 1
63 1 6 PHE QD 1 93 LEU QD 7.000 . 7.000 4.137 3.434 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 6 PHE QD 1 95 LYS H 5.000 . 5.000 3.462 2.578 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 6 PHE QD 1 95 LYS QB 7.000 . 7.000 3.939 3.055 5.223 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 6 PHE QE 1 8 VAL QG 3.500 . 3.500 2.449 2.116 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 6 PHE QE 1 56 ILE HA 7.000 . 7.000 4.396 2.643 6.261 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 6 PHE QE 1 93 LEU QD 5.000 . 5.000 3.141 2.350 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 PHE QE 1 94 GLU H 7.000 . 7.000 4.516 3.319 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 PHE QE 1 95 LYS H 5.000 . 5.000 2.988 2.297 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 PHE QE 1 95 LYS HA 5.000 . 5.000 2.820 1.980 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 PHE QE 1 95 LYS QB 7.000 . 7.000 3.005 1.563 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 PHE QE 1 95 LYS QD 7.000 . 7.000 3.498 1.974 6.183 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 PHE QE 1 95 LYS QG 7.000 . 7.000 3.538 1.609 5.806 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 6 PHE QE 1 96 GLY H 7.000 . 7.000 4.592 3.200 6.250 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 7 GLU H 1 7 GLU QB 3.500 . 3.500 2.480 2.337 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 7 GLU H 1 7 GLU QG 3.500 . 3.500 2.780 2.109 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 GLU H 1 92 LEU QD 5.000 . 5.000 4.151 2.935 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 7 GLU HA 1 7 GLU QB 2.800 . 2.800 2.358 2.311 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 7 GLU HA 1 7 GLU QG 3.500 . 3.500 2.491 2.376 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 GLU HA 1 8 VAL H 2.800 . 2.800 2.067 1.959 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 GLU HA 1 92 LEU HA 3.500 . 3.500 2.267 1.713 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 GLU HA 1 92 LEU QD 3.500 . 3.500 3.328 2.651 3.570 0.070 16 0 "[ . 1 . 2 . 3]" 1
84 1 7 GLU QB 1 8 VAL H 3.500 . 3.500 3.342 2.717 3.573 0.073 13 0 "[ . 1 . 2 . 3]" 1
85 1 7 GLU QG 1 8 VAL H 5.000 . 5.000 4.233 3.884 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 GLU QG 1 92 LEU QD 2.800 . 2.800 2.533 1.767 2.909 0.109 3 0 "[ . 1 . 2 . 3]" 1
87 1 7 GLU QG 1 93 LEU H 7.000 . 7.000 4.272 3.526 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 8 VAL H 1 8 VAL HB 3.500 . 3.500 2.855 2.514 3.685 0.185 7 0 "[ . 1 . 2 . 3]" 1
89 1 8 VAL H 1 8 VAL QG 3.500 . 3.500 2.111 1.805 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 8 VAL H 1 9 GLU H 7.000 . 7.000 4.421 4.116 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 8 VAL H 1 55 ARG QD 7.000 . 7.000 6.294 5.039 7.034 0.034 27 0 "[ . 1 . 2 . 3]" 1
92 1 8 VAL H 1 91 LEU H 3.500 . 3.500 3.221 2.728 3.646 0.146 27 0 "[ . 1 . 2 . 3]" 1
93 1 8 VAL H 1 91 LEU QB 5.000 . 5.000 3.835 3.283 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 VAL H 1 92 LEU QD 7.000 . 7.000 4.666 4.061 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 VAL H 1 93 LEU QD 5.000 . 5.000 3.341 2.972 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 VAL HA 1 8 VAL QG 2.800 . 2.800 2.253 2.140 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 VAL HA 1 9 GLU H 2.800 . 2.800 2.117 1.990 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 VAL HA 1 9 GLU HA 7.000 . 7.000 4.338 4.245 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 VAL HA 1 9 GLU QB 7.000 . 7.000 4.206 3.898 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 VAL HA 1 56 ILE MD 7.000 . 7.000 5.152 4.745 5.827 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 VAL HB 1 9 GLU H 5.000 . 5.000 3.991 3.146 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 8 VAL HB 1 93 LEU QD 3.500 . 3.500 3.081 2.344 3.597 0.097 26 0 "[ . 1 . 2 . 3]" 1
103 1 8 VAL QG 1 9 GLU H 3.500 . 3.500 2.647 2.305 3.517 0.017 9 0 "[ . 1 . 2 . 3]" 1
104 1 8 VAL QG 1 9 GLU HA 5.000 . 5.000 3.676 3.323 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 8 VAL QG 1 10 LEU H 5.000 . 5.000 3.309 2.761 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 VAL QG 1 55 ARG H 5.000 . 5.000 4.553 3.127 5.078 0.078 6 0 "[ . 1 . 2 . 3]" 1
107 1 8 VAL QG 1 55 ARG HA 3.500 . 3.500 4.318 3.494 5.041 1.541 23 22 "[******* **** **** 2* +-* ***3]" 1
108 1 8 VAL QG 1 55 ARG QB 3.500 . 3.500 2.335 1.768 3.512 0.012 15 0 "[ . 1 . 2 . 3]" 1
109 1 8 VAL QG 1 55 ARG QD 5.000 . 5.000 2.669 1.860 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 8 VAL QG 1 55 ARG HE 5.000 . 5.000 4.232 2.745 5.078 0.078 26 0 "[ . 1 . 2 . 3]" 1
111 1 8 VAL QG 1 55 ARG QG 7.000 . 7.000 2.997 1.806 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 VAL QG 1 56 ILE H 5.000 . 5.000 3.782 3.117 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 8 VAL QG 1 56 ILE HB 5.000 . 5.000 4.200 3.813 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 8 VAL QG 1 91 LEU HG 5.000 . 5.000 4.686 4.037 5.133 0.133 3 0 "[ . 1 . 2 . 3]" 1
115 1 8 VAL QG 1 93 LEU HA 5.000 . 5.000 4.709 4.145 5.059 0.059 27 0 "[ . 1 . 2 . 3]" 1
116 1 8 VAL QG 1 93 LEU QD 2.800 . 2.800 1.764 1.633 1.874 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 9 GLU H 1 9 GLU QB 2.800 . 2.800 2.459 2.228 2.882 0.082 28 0 "[ . 1 . 2 . 3]" 1
118 1 9 GLU H 1 10 LEU H 5.000 . 5.000 4.035 3.754 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 9 GLU H 1 90 HIS HD2 7.000 . 7.000 4.770 3.567 6.952 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 GLU HA 1 9 GLU QG 3.500 . 3.500 2.631 2.342 3.550 0.050 23 0 "[ . 1 . 2 . 3]" 1
121 1 9 GLU HA 1 10 LEU H 2.800 . 2.800 2.186 2.075 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 9 GLU HA 1 89 VAL H 5.000 . 5.000 4.566 3.832 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 9 GLU QB 1 10 LEU H 5.000 . 5.000 3.786 3.334 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 9 GLU QB 1 11 ALA H 7.000 . 7.000 5.210 4.687 5.851 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 9 GLU QB 1 88 VAL QG 3.500 . 3.500 3.002 2.073 3.638 0.138 12 0 "[ . 1 . 2 . 3]" 1
126 1 9 GLU QB 1 90 HIS HD2 5.000 . 5.000 3.020 1.647 5.056 0.056 24 0 "[ . 1 . 2 . 3]" 1
127 1 9 GLU QG 1 10 LEU H 5.000 . 5.000 3.986 3.189 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 9 GLU QG 1 88 VAL QG 3.500 . 3.500 2.748 1.693 3.570 0.070 27 0 "[ . 1 . 2 . 3]" 1
129 1 9 GLU QG 1 90 HIS HD2 7.000 . 7.000 3.074 1.357 5.529 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 10 LEU H 1 10 LEU QB 3.500 . 3.500 2.401 2.224 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 10 LEU H 1 10 LEU QD 5.000 . 5.000 3.633 2.751 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 10 LEU H 1 11 ALA H 7.000 . 7.000 4.269 4.050 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 10 LEU H 1 12 LYS H 7.000 . 7.000 6.335 5.932 6.786 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 LEU H 1 88 VAL QG 5.000 . 5.000 3.489 3.149 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 10 LEU H 1 89 VAL H 3.500 . 3.500 3.291 3.002 3.542 0.042 21 0 "[ . 1 . 2 . 3]" 1
136 1 10 LEU HA 1 10 LEU QD 3.500 . 3.500 1.874 1.758 1.977 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 10 LEU HA 1 11 ALA H 2.800 . 2.800 2.092 1.948 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 LEU HA 1 11 ALA HA 7.000 . 7.000 4.330 4.262 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 10 LEU HA 1 17 LEU QD 7.000 . 7.000 4.180 3.576 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 10 LEU QB 1 10 LEU QD 2.800 . 2.800 2.069 2.054 2.095 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 10 LEU QB 1 10 LEU HG 2.800 . 2.800 2.254 2.171 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 10 LEU QB 1 11 ALA H 5.000 . 5.000 3.710 3.263 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 10 LEU QB 1 17 LEU QD 7.000 . 7.000 1.976 1.463 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 10 LEU QB 1 49 ALA MB 5.000 . 5.000 4.276 2.899 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 10 LEU QB 1 89 VAL HB 7.000 . 7.000 3.184 2.842 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 10 LEU QB 1 89 VAL QG 3.500 . 3.500 3.435 1.785 3.603 0.103 13 0 "[ . 1 . 2 . 3]" 1
147 1 10 LEU QD 1 11 ALA H 3.500 . 3.500 2.207 1.850 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 10 LEU QD 1 13 THR H 5.000 . 5.000 4.302 3.469 5.051 0.051 9 0 "[ . 1 . 2 . 3]" 1
149 1 10 LEU QD 1 17 LEU HA 5.000 . 5.000 2.785 1.811 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 10 LEU QD 1 17 LEU QB 5.000 . 5.000 3.327 2.084 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 10 LEU QD 1 49 ALA HA 3.500 . 3.500 3.019 2.529 3.597 0.097 12 0 "[ . 1 . 2 . 3]" 1
152 1 10 LEU QD 1 49 ALA MB 2.800 . 2.800 1.655 1.390 2.110 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 10 LEU QD 1 50 ALA H 3.500 . 3.500 2.608 2.190 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 10 LEU QD 1 50 ALA HA 2.800 . 2.800 1.534 1.244 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 10 LEU QD 1 50 ALA MB 2.800 . 2.800 2.419 2.155 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 10 LEU QD 1 53 ASP H 5.000 . 5.000 3.935 3.671 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 10 LEU QD 1 53 ASP HA 5.000 . 5.000 5.040 4.561 5.157 0.157 15 0 "[ . 1 . 2 . 3]" 1
158 1 10 LEU QD 1 53 ASP QB 3.500 . 3.500 2.760 2.376 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 10 LEU QD 1 54 GLY H 7.000 . 7.000 4.088 3.060 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 10 LEU HG 1 11 ALA H 7.000 . 7.000 4.822 4.607 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 10 LEU HG 1 17 LEU QD 2.800 . 2.800 2.672 1.774 2.899 0.099 19 0 "[ . 1 . 2 . 3]" 1
162 1 10 LEU HG 1 19 ILE MG 3.500 . 3.500 3.667 3.564 3.781 0.281 16 0 "[ . 1 . 2 . 3]" 1
163 1 10 LEU HG 1 49 ALA MB 3.500 . 3.500 3.582 3.351 3.653 0.153 10 0 "[ . 1 . 2 . 3]" 1
164 1 11 ALA H 1 11 ALA MB 2.800 . 2.800 2.314 2.256 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 11 ALA H 1 17 LEU QD 5.000 . 5.000 4.355 3.556 5.157 0.157 30 0 "[ . 1 . 2 . 3]" 1
166 1 11 ALA H 1 49 ALA MB 7.000 . 7.000 4.179 3.638 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 11 ALA H 1 88 VAL QG 5.000 . 5.000 3.600 3.235 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 11 ALA HA 1 12 LYS H 2.800 . 2.800 2.105 2.024 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 11 ALA HA 1 88 VAL HA 5.000 . 5.000 1.990 1.730 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 11 ALA HA 1 88 VAL QG 3.500 . 3.500 2.325 1.926 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 11 ALA HA 1 89 VAL H 3.500 . 3.500 3.185 2.139 3.531 0.031 29 0 "[ . 1 . 2 . 3]" 1
172 1 11 ALA MB 1 87 GLN QE 5.000 . 5.000 4.096 3.003 5.094 0.094 16 0 "[ . 1 . 2 . 3]" 1
173 1 11 ALA MB 1 87 GLN QG 5.000 . 5.000 3.431 2.594 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 11 ALA MB 1 88 VAL HA 3.500 . 3.500 3.288 2.301 3.540 0.040 2 0 "[ . 1 . 2 . 3]" 1
175 1 11 ALA MB 1 88 VAL QG 2.800 . 2.800 2.013 1.719 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 11 ALA MB 1 89 VAL H 7.000 . 7.000 4.486 3.408 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 12 LYS H 1 12 LYS QB 2.800 . 2.800 2.405 2.145 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 12 LYS H 1 12 LYS QG 3.500 . 3.500 2.659 2.010 3.606 0.106 25 0 "[ . 1 . 2 . 3]" 1
179 1 12 LYS H 1 49 ALA MB 5.000 . 5.000 4.798 4.273 5.091 0.091 13 0 "[ . 1 . 2 . 3]" 1
180 1 12 LYS H 1 87 GLN HA 5.000 . 5.000 3.690 3.087 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 LYS H 1 87 GLN QB 7.000 . 7.000 4.365 3.149 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 12 LYS H 1 87 GLN QE 7.000 . 7.000 4.739 2.526 6.490 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 LYS H 1 87 GLN QG 7.000 . 7.000 3.227 2.294 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 LYS H 1 88 VAL HA 3.500 . 3.500 3.019 2.578 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 12 LYS H 1 88 VAL QG 3.500 . 3.500 3.568 3.507 3.656 0.156 10 0 "[ . 1 . 2 . 3]" 1
186 1 12 LYS H 1 89 VAL H 7.000 . 7.000 4.109 3.370 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 12 LYS H 1 89 VAL QG 5.000 . 5.000 3.931 2.877 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 12 LYS HA 1 12 LYS QG 2.800 . 2.800 2.552 2.192 3.374 0.574 24 3 "[ - * 1 . 2 +. 3]" 1
189 1 12 LYS HA 1 13 THR H 2.800 . 2.800 2.148 1.972 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 12 LYS HA 1 17 LEU HA 5.000 . 5.000 3.185 2.108 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 12 LYS HA 1 17 LEU QD 3.500 . 3.500 3.127 2.426 3.640 0.140 19 0 "[ . 1 . 2 . 3]" 1
192 1 12 LYS QB 1 13 THR H 3.500 . 3.500 3.049 2.373 3.628 0.128 28 0 "[ . 1 . 2 . 3]" 1
193 1 12 LYS QB 1 16 SER H 3.500 . 3.500 3.226 2.475 3.584 0.084 27 0 "[ . 1 . 2 . 3]" 1
194 1 12 LYS QD 1 87 GLN HA 3.500 . 3.500 2.487 1.791 3.615 0.115 13 0 "[ . 1 . 2 . 3]" 1
195 1 12 LYS QD 1 89 VAL QG 3.500 . 3.500 3.043 2.032 3.529 0.029 22 0 "[ . 1 . 2 . 3]" 1
196 1 12 LYS QE 1 12 LYS QG 3.500 . 3.500 2.214 2.073 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 12 LYS QE 1 17 LEU QD 5.000 . 5.000 2.189 1.451 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 12 LYS QE 1 17 LEU HG 5.000 . 5.000 3.305 1.730 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 12 LYS QE 1 19 ILE MG 7.000 . 7.000 7.094 6.856 7.230 0.230 30 0 "[ . 1 . 2 . 3]" 1
200 1 12 LYS QE 1 89 VAL QG 3.500 . 3.500 2.067 1.707 3.518 0.018 24 0 "[ . 1 . 2 . 3]" 1
201 1 12 LYS QG 1 14 ASP HA 7.000 . 7.000 6.306 4.473 7.126 0.126 27 0 "[ . 1 . 2 . 3]" 1
202 1 12 LYS QG 1 16 SER H 5.000 . 5.000 3.898 2.541 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 13 THR H 1 14 ASP HA 7.000 . 7.000 5.169 4.520 5.809 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 13 THR H 1 15 GLY H 7.000 . 7.000 4.392 3.184 6.732 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 13 THR H 1 49 ALA MB 3.500 . 3.500 2.580 1.662 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 13 THR HA 1 13 THR MG 3.500 . 3.500 2.771 2.141 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 13 THR HA 1 15 GLY H 7.000 . 7.000 5.205 3.340 7.007 0.007 28 0 "[ . 1 . 2 . 3]" 1
208 1 13 THR HA 1 16 SER H 7.000 . 7.000 5.681 4.409 6.927 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 13 THR HA 1 49 ALA H 7.000 . 7.000 6.117 4.323 7.071 0.071 3 0 "[ . 1 . 2 . 3]" 1
210 1 13 THR HB 1 14 ASP H 5.000 . 5.000 3.351 1.663 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 13 THR MG 1 14 ASP QB 5.000 . 5.000 3.562 2.237 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 13 THR MG 1 16 SER H 5.000 . 5.000 4.821 3.318 5.160 0.160 5 0 "[ . 1 . 2 . 3]" 1
213 1 13 THR MG 1 18 GLY QA 7.000 . 7.000 4.911 3.441 6.012 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 13 THR MG 1 49 ALA H 5.000 . 5.000 3.468 2.114 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 13 THR MG 1 49 ALA MB 3.500 . 3.500 2.686 1.697 3.649 0.149 11 0 "[ . 1 . 2 . 3]" 1
216 1 14 ASP HA 1 14 ASP QB 2.800 . 2.800 2.330 2.190 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 14 ASP HA 1 15 GLY H 3.500 . 3.500 3.396 2.942 3.530 0.030 17 0 "[ . 1 . 2 . 3]" 1
218 1 14 ASP QB 1 15 GLY H 7.000 . 7.000 2.637 1.833 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 15 GLY H 1 16 SER H 3.500 . 3.500 2.760 1.645 3.568 0.068 9 0 "[ . 1 . 2 . 3]" 1
220 1 15 GLY H 1 47 LYS QG 5.000 . 5.000 4.518 3.147 5.109 0.109 24 0 "[ . 1 . 2 . 3]" 1
221 1 15 GLY QA 1 16 SER H 3.500 . 3.500 2.738 2.219 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 SER H 1 16 SER QB 2.800 . 2.800 2.839 2.478 3.100 0.300 13 0 "[ . 1 . 2 . 3]" 1
223 1 16 SER HA 1 18 GLY H 7.000 . 7.000 5.392 3.403 6.522 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 17 LEU HA 1 17 LEU QB 2.800 . 2.800 2.417 2.304 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 17 LEU HA 1 17 LEU QD 2.800 . 2.800 2.073 1.836 2.931 0.131 18 0 "[ . 1 . 2 . 3]" 1
226 1 17 LEU HA 1 18 GLY QA 5.000 . 5.000 3.959 3.721 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 17 LEU HA 1 49 ALA MB 2.800 . 2.800 2.744 2.203 3.018 0.218 28 0 "[ . 1 . 2 . 3]" 1
228 1 17 LEU HA 1 50 ALA H 7.000 . 7.000 4.647 3.668 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 17 LEU QB 1 17 LEU QD 2.800 . 2.800 1.959 1.877 2.068 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 17 LEU QB 1 17 LEU HG 2.800 . 2.800 2.301 2.127 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 17 LEU QB 1 18 GLY H 5.000 . 5.000 2.884 1.825 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 17 LEU QB 1 19 ILE H 7.000 . 7.000 2.674 2.128 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 17 LEU QB 1 19 ILE MD 3.500 . 3.500 3.333 2.827 3.649 0.149 21 0 "[ . 1 . 2 . 3]" 1
234 1 17 LEU QB 1 19 ILE QG 5.000 . 5.000 2.244 1.849 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 17 LEU QB 1 50 ALA MB 7.000 . 7.000 4.108 2.793 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 17 LEU QD 1 82 LEU HA 5.000 . 5.000 3.883 3.158 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 17 LEU QD 1 82 LEU HG 7.000 . 7.000 3.830 2.024 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 LEU QD 1 89 VAL H 5.000 . 5.000 3.421 2.804 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 17 LEU QD 1 89 VAL HB 2.800 . 2.800 2.521 1.935 2.956 0.156 5 0 "[ . 1 . 2 . 3]" 1
240 1 17 LEU QD 1 89 VAL QG 3.500 . 3.500 1.905 1.474 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 18 GLY H 1 19 ILE H 3.500 . 3.500 2.807 1.706 3.534 0.034 21 0 "[ . 1 . 2 . 3]" 1
242 1 18 GLY H 1 19 ILE MG 7.000 . 7.000 3.998 3.296 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 18 GLY H 1 49 ALA MB 7.000 . 7.000 2.689 1.526 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 18 GLY QA 1 19 ILE H 3.500 . 3.500 2.803 2.611 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 18 GLY QA 1 19 ILE QG 5.000 . 5.000 4.366 4.094 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 18 GLY QA 1 45 ILE H 7.000 . 7.000 3.309 2.824 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 18 GLY QA 1 45 ILE HB 3.500 . 3.500 2.449 1.709 3.543 0.043 18 0 "[ . 1 . 2 . 3]" 1
248 1 18 GLY QA 1 45 ILE MD 5.000 . 5.000 4.145 2.892 5.104 0.104 23 0 "[ . 1 . 2 . 3]" 1
249 1 18 GLY QA 1 45 ILE QG 5.000 . 5.000 3.830 2.755 5.129 0.129 18 0 "[ . 1 . 2 . 3]" 1
250 1 18 GLY QA 1 45 ILE MG 3.500 . 3.500 3.327 2.605 4.579 1.079 7 3 "[ . + 1 . * 2 - . 3]" 1
251 1 18 GLY QA 1 48 GLY H 5.000 . 5.000 4.013 3.128 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 GLY QA 1 49 ALA HA 7.000 . 7.000 4.935 4.289 5.815 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 GLY QA 1 49 ALA MB 2.800 . 2.800 2.483 1.846 2.943 0.143 14 0 "[ . 1 . 2 . 3]" 1
254 1 18 GLY QA 1 50 ALA MB 3.500 . 3.500 3.386 2.560 3.601 0.101 30 0 "[ . 1 . 2 . 3]" 1
255 1 19 ILE H 1 19 ILE MD 5.000 . 5.000 4.045 3.758 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 19 ILE H 1 19 ILE QG 3.500 . 3.500 2.412 2.135 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 19 ILE H 1 19 ILE MG 3.500 . 3.500 3.056 2.659 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 19 ILE H 1 20 SER H 7.000 . 7.000 4.233 4.075 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 19 ILE HA 1 19 ILE MG 3.500 . 3.500 2.201 2.075 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 19 ILE HA 1 20 SER H 2.800 . 2.800 2.035 1.821 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 19 ILE HA 1 44 ILE HA 5.000 . 5.000 2.469 2.040 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 19 ILE HA 1 44 ILE MD 5.000 . 5.000 3.081 2.716 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 19 ILE HA 1 45 ILE H 5.000 . 5.000 2.794 1.950 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 ILE HA 1 45 ILE MD 7.000 . 7.000 3.670 2.567 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 ILE HA 1 45 ILE QG 7.000 . 7.000 4.006 2.700 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 ILE HB 1 19 ILE MD 2.800 . 2.800 2.443 2.397 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 19 ILE HB 1 19 ILE QG 2.800 . 2.800 2.329 2.290 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 19 ILE HB 1 20 SER H 3.500 . 3.500 2.854 2.322 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 19 ILE HB 1 21 VAL HA 5.000 . 5.000 4.785 4.337 5.027 0.027 27 0 "[ . 1 . 2 . 3]" 1
270 1 19 ILE HB 1 21 VAL QG 7.000 . 7.000 3.147 2.501 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 ILE HB 1 43 ALA MB 7.000 . 7.000 5.728 5.279 6.217 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 ILE MD 1 19 ILE MG 2.800 . 2.800 1.821 1.677 1.887 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 ILE MD 1 41 VAL H 5.000 . 5.000 5.149 5.106 5.207 0.207 16 0 "[ . 1 . 2 . 3]" 1
274 1 19 ILE MD 1 41 VAL QG 3.500 . 3.500 2.121 1.911 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 19 ILE MD 1 50 ALA MB 2.800 . 2.800 3.019 2.973 3.115 0.315 3 0 "[ . 1 . 2 . 3]" 1
276 1 19 ILE MD 1 56 ILE MD 2.800 . 2.800 2.177 1.739 2.886 0.086 4 0 "[ . 1 . 2 . 3]" 1
277 1 19 ILE MG 1 20 SER H 3.500 . 3.500 3.580 3.522 3.649 0.149 30 0 "[ . 1 . 2 . 3]" 1
278 1 19 ILE MG 1 20 SER HA 7.000 . 7.000 5.410 5.160 5.516 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 19 ILE MG 1 20 SER QB 5.000 . 5.000 5.076 5.025 5.194 0.194 8 0 "[ . 1 . 2 . 3]" 1
280 1 19 ILE MG 1 44 ILE HA 5.000 . 5.000 2.825 2.534 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 19 ILE MG 1 50 ALA MB 2.800 . 2.800 1.810 1.659 1.909 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 19 ILE MG 1 57 HIS H 5.000 . 5.000 4.961 4.503 5.097 0.097 1 0 "[ . 1 . 2 . 3]" 1
283 1 20 SER H 1 20 SER QB 3.500 . 3.500 2.262 2.152 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 20 SER H 1 41 VAL QG 3.500 . 3.500 3.081 2.740 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 20 SER H 1 43 ALA H 3.500 . 3.500 3.087 2.821 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 20 SER H 1 43 ALA MB 5.000 . 5.000 3.609 3.274 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 20 SER H 1 44 ILE HA 7.000 . 7.000 3.295 2.903 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 20 SER H 1 44 ILE MD 5.000 . 5.000 3.746 3.353 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 20 SER HA 1 21 VAL H 3.500 . 3.500 2.175 2.105 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 20 SER HA 1 21 VAL QG 7.000 . 7.000 3.325 3.086 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 SER HA 1 22 THR H 7.000 . 7.000 6.256 5.953 6.458 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 20 SER HA 1 41 VAL QG 5.000 . 5.000 4.682 4.415 5.012 0.012 19 0 "[ . 1 . 2 . 3]" 1
293 1 20 SER QB 1 21 VAL H 5.000 . 5.000 3.669 2.950 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 20 SER QB 1 42 LYS QB 5.000 . 5.000 3.143 2.751 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 20 SER QB 1 42 LYS QG 5.000 . 5.000 4.323 3.765 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 20 SER QB 1 43 ALA H 5.000 . 5.000 2.705 2.184 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 20 SER QB 1 43 ALA MB 2.800 . 2.800 2.142 1.699 2.824 0.024 18 0 "[ . 1 . 2 . 3]" 1
298 1 20 SER QB 1 45 ILE MD 2.800 . 2.800 2.174 1.603 2.877 0.077 25 0 "[ . 1 . 2 . 3]" 1
299 1 20 SER QB 1 45 ILE QG 5.000 . 5.000 3.234 1.778 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 21 VAL H 1 21 VAL QG 3.500 . 3.500 2.060 1.926 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 21 VAL HA 1 21 VAL HB 2.800 . 2.800 2.470 2.267 2.977 0.177 25 0 "[ . 1 . 2 . 3]" 1
302 1 21 VAL HA 1 21 VAL QG 2.800 . 2.800 2.301 2.177 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 21 VAL HA 1 22 THR H 2.800 . 2.800 2.313 2.086 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 21 VAL HA 1 22 THR MG 5.000 . 5.000 3.667 3.253 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 21 VAL HA 1 41 VAL HA 2.800 . 2.800 2.208 1.731 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 21 VAL HA 1 42 LYS H 3.500 . 3.500 2.155 1.769 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 21 VAL HA 1 43 ALA H 5.000 . 5.000 3.987 3.676 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 21 VAL HB 1 22 THR H 3.500 . 3.500 2.719 1.863 3.691 0.191 12 0 "[ . 1 . 2 . 3]" 1
309 1 21 VAL HB 1 41 VAL HA 7.000 . 7.000 3.644 2.692 5.525 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 21 VAL HB 1 78 ALA MB 7.000 . 7.000 4.067 3.585 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 21 VAL QG 1 22 THR H 3.500 . 3.500 3.103 1.543 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 21 VAL QG 1 23 VAL QG 7.000 . 7.000 4.278 2.423 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 21 VAL QG 1 41 VAL HA 3.500 . 3.500 2.227 1.797 3.515 0.015 25 0 "[ . 1 . 2 . 3]" 1
314 1 21 VAL QG 1 42 LYS H 5.000 . 5.000 3.471 3.165 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 21 VAL QG 1 75 HIS HA 5.000 . 5.000 3.057 2.225 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 21 VAL QG 1 75 HIS HD2 5.000 . 5.000 3.990 1.859 5.089 0.089 30 0 "[ . 1 . 2 . 3]" 1
317 1 21 VAL QG 1 78 ALA MB 2.800 . 2.800 2.409 1.961 2.866 0.066 13 0 "[ . 1 . 2 . 3]" 1
318 1 21 VAL QG 1 79 VAL H 5.000 . 5.000 3.564 3.093 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 21 VAL QG 1 79 VAL HA 7.000 . 7.000 3.780 3.051 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 21 VAL QG 1 82 LEU HA 7.000 . 7.000 6.630 6.027 7.011 0.011 19 0 "[ . 1 . 2 . 3]" 1
321 1 22 THR H 1 22 THR MG 2.800 . 2.800 2.297 2.065 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 22 THR H 1 23 VAL QG 5.000 . 5.000 4.774 3.435 5.123 0.123 9 0 "[ . 1 . 2 . 3]" 1
323 1 22 THR H 1 24 LEU H 7.000 . 7.000 5.798 5.220 6.634 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 22 THR H 1 42 LYS H 5.000 . 5.000 3.495 3.051 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 22 THR H 1 42 LYS QB 5.000 . 5.000 3.223 2.551 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 22 THR HA 1 22 THR MG 3.500 . 3.500 3.249 3.217 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 22 THR HB 1 42 LYS H 5.000 . 5.000 4.613 3.571 5.034 0.034 30 0 "[ . 1 . 2 . 3]" 1
328 1 22 THR HB 1 42 LYS QD 2.800 . 2.800 2.317 1.562 2.807 0.007 17 0 "[ . 1 . 2 . 3]" 1
329 1 22 THR HB 1 42 LYS QE 7.000 . 7.000 4.061 2.874 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 22 THR HB 1 42 LYS QG 5.000 . 5.000 3.796 2.867 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 22 THR MG 1 23 VAL H 7.000 . 7.000 3.273 2.746 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 22 THR MG 1 24 LEU H 7.000 . 7.000 3.873 2.509 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 22 THR MG 1 24 LEU QD 3.500 . 3.500 2.765 1.753 3.667 0.167 12 0 "[ . 1 . 2 . 3]" 1
334 1 22 THR MG 1 24 LEU HG 3.500 . 3.500 4.082 2.311 5.050 1.550 24 20 "[*** ** * *** *. * -****+.* * *]" 1
335 1 22 THR MG 1 40 TYR H 7.000 . 7.000 3.370 2.779 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 22 THR MG 1 40 TYR QB 3.500 . 3.500 2.537 1.889 3.613 0.113 25 0 "[ . 1 . 2 . 3]" 1
337 1 22 THR MG 1 40 TYR QD 5.000 . 5.000 3.235 1.790 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 22 THR MG 1 42 LYS H 7.000 . 7.000 3.521 2.863 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 22 THR MG 1 42 LYS HA 3.500 . 3.500 3.247 2.571 3.543 0.043 20 0 "[ . 1 . 2 . 3]" 1
340 1 22 THR MG 1 42 LYS QB 2.800 . 2.800 2.022 1.676 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 22 THR MG 1 42 LYS QD 5.000 . 5.000 2.756 2.013 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 22 THR MG 1 43 ALA H 7.000 . 7.000 5.138 4.658 5.570 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 23 VAL H 1 23 VAL QG 3.500 . 3.500 2.134 1.756 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 23 VAL HA 1 23 VAL QG 2.800 . 2.800 2.258 2.049 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 23 VAL HA 1 24 LEU H 2.800 . 2.800 2.516 2.021 3.539 0.739 10 8 "[** . + - . * * *. *]" 1
346 1 23 VAL HA 1 25 PHE H 7.000 . 7.000 5.490 4.424 6.889 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 23 VAL HA 1 39 ILE MD 5.000 . 5.000 2.538 1.471 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 23 VAL HA 1 40 TYR H 5.000 . 5.000 3.072 2.719 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 23 VAL HB 1 24 LEU H 5.000 . 5.000 3.774 2.085 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 23 VAL HB 1 39 ILE MD 3.500 . 3.500 3.012 1.922 3.785 0.285 16 0 "[ . 1 . 2 . 3]" 1
351 1 23 VAL HB 1 75 HIS H 5.000 . 5.000 3.700 1.678 5.032 0.032 24 0 "[ . 1 . 2 . 3]" 1
352 1 23 VAL QG 1 24 LEU H 3.500 . 3.500 2.583 1.419 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 23 VAL QG 1 25 PHE QE 7.000 . 7.000 4.517 2.149 6.505 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 23 VAL QG 1 39 ILE HA 7.000 . 7.000 2.922 1.828 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 23 VAL QG 1 39 ILE MD 5.000 . 5.000 1.861 1.515 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 23 VAL QG 1 39 ILE QG 7.000 . 7.000 3.394 2.973 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 23 VAL QG 1 73 ALA MB 3.500 . 3.500 3.612 3.536 3.699 0.199 20 0 "[ . 1 . 2 . 3]" 1
358 1 23 VAL QG 1 75 HIS H 5.000 . 5.000 2.144 1.836 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 23 VAL QG 1 75 HIS HA 3.500 . 3.500 3.102 2.066 3.619 0.119 1 0 "[ . 1 . 2 . 3]" 1
360 1 23 VAL QG 1 75 HIS QB 3.500 . 3.500 2.608 1.884 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 24 LEU H 1 24 LEU QB 3.500 . 3.500 2.674 2.312 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 24 LEU H 1 24 LEU QD 5.000 . 5.000 3.139 1.974 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 24 LEU H 1 38 GLY QA 7.000 . 7.000 4.925 2.863 7.076 0.076 12 0 "[ . 1 . 2 . 3]" 1
364 1 24 LEU H 1 40 TYR H 5.000 . 5.000 4.359 3.631 5.108 0.108 2 0 "[ . 1 . 2 . 3]" 1
365 1 24 LEU H 1 40 TYR QD 5.000 . 5.000 4.013 2.055 5.104 0.104 19 0 "[ . 1 . 2 . 3]" 1
366 1 24 LEU H 1 40 TYR QE 7.000 . 7.000 5.270 2.329 7.017 0.017 8 0 "[ . 1 . 2 . 3]" 1
367 1 24 LEU HA 1 24 LEU QD 2.800 . 2.800 2.295 1.806 3.460 0.660 18 3 "[ . * . + 2 - . 3]" 1
368 1 24 LEU HA 1 25 PHE H 3.500 . 3.500 2.262 1.918 3.508 0.008 30 0 "[ . 1 . 2 . 3]" 1
369 1 24 LEU QB 1 24 LEU QD 2.800 . 2.800 1.974 1.874 2.098 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 24 LEU QB 1 25 PHE H 3.500 . 3.500 3.234 1.975 3.736 0.236 28 0 "[ . 1 . 2 . 3]" 1
371 1 24 LEU QB 1 25 PHE QE 7.000 . 7.000 6.682 3.050 7.946 0.946 11 12 "[ *** *1+ .*- 2* *** * 3]" 1
372 1 24 LEU QD 1 40 TYR H 7.000 . 7.000 4.449 3.002 6.285 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 24 LEU QD 1 40 TYR QD 5.000 . 5.000 2.711 1.762 5.018 0.018 10 0 "[ . 1 . 2 . 3]" 1
374 1 24 LEU QD 1 40 TYR QE 7.000 . 7.000 3.126 2.023 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 24 LEU HG 1 25 PHE QD 7.000 . 7.000 6.926 4.719 8.569 1.569 21 11 "[ *** *1- .** 2+ ** * 3]" 1
376 1 25 PHE H 1 25 PHE HA 2.800 . 2.800 2.864 2.727 2.914 0.114 28 0 "[ . 1 . 2 . 3]" 1
377 1 25 PHE H 1 25 PHE QB 3.500 . 3.500 2.598 2.204 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 25 PHE H 1 25 PHE QD 5.000 . 5.000 3.532 2.159 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 25 PHE H 1 61 ARG QG 5.000 . 5.000 9.191 6.703 11.111 6.111 16 30 [*********-*****+**************] 1
380 1 25 PHE HA 1 26 ASP H 3.500 . 3.500 2.835 2.046 3.528 0.028 4 0 "[ . 1 . 2 . 3]" 1
381 1 25 PHE QD 1 26 ASP H 7.000 . 7.000 3.917 2.210 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 26 ASP HA 1 27 LYS H 3.500 . 3.500 2.634 2.023 3.543 0.043 30 0 "[ . 1 . 2 . 3]" 1
383 1 26 ASP QB 1 27 LYS H 7.000 . 7.000 3.070 1.750 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 27 LYS HA 1 27 LYS QB 2.800 . 2.800 2.384 2.317 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 27 LYS HA 1 27 LYS QG 2.800 . 2.800 2.561 2.371 2.856 0.056 3 0 "[ . 1 . 2 . 3]" 1
386 1 27 LYS HA 1 28 GLY H 5.000 . 5.000 2.665 2.062 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 29 GLY QA 1 30 VAL H 3.500 . 3.500 2.374 2.069 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 29 GLY QA 1 30 VAL QG 5.000 . 5.000 3.465 3.065 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 30 VAL HA 1 30 VAL QG 2.800 . 2.800 2.232 2.139 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 32 THR HA 1 32 THR MG 2.800 . 2.800 2.546 2.167 3.257 0.457 11 0 "[ . 1 . 2 . 3]" 1
391 1 32 THR HA 1 34 VAL QG 7.000 . 7.000 4.260 2.561 6.162 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 32 THR HB 1 34 VAL QG 5.000 . 5.000 4.511 2.806 5.119 0.119 29 0 "[ . 1 . 2 . 3]" 1
393 1 33 SER HA 1 34 VAL H 3.500 . 3.500 2.775 2.095 3.569 0.069 13 0 "[ . 1 . 2 . 3]" 1
394 1 34 VAL H 1 34 VAL HB 3.500 . 3.500 3.128 2.343 3.668 0.168 28 0 "[ . 1 . 2 . 3]" 1
395 1 34 VAL H 1 34 VAL QG 3.500 . 3.500 2.145 1.802 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 34 VAL HA 1 34 VAL QG 2.800 . 2.800 2.254 2.142 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 34 VAL HA 1 35 ARG H 3.500 . 3.500 2.342 2.056 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 34 VAL HA 1 35 ARG HE 7.000 . 7.000 5.921 4.145 7.058 0.058 1 0 "[ . 1 . 2 . 3]" 1
399 1 34 VAL HB 1 35 ARG H 5.000 . 5.000 3.696 1.929 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 34 VAL QG 1 35 ARG H 5.000 . 5.000 3.091 1.745 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 35 ARG H 1 35 ARG QB 3.500 . 3.500 2.586 2.238 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 35 ARG H 1 35 ARG QG 5.000 . 5.000 3.013 1.917 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 35 ARG HA 1 35 ARG QB 2.800 . 2.800 2.334 2.169 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 35 ARG HA 1 35 ARG QD 5.000 . 5.000 3.652 1.898 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 35 ARG HA 1 35 ARG QG 3.500 . 3.500 2.817 2.341 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 35 ARG QB 1 35 ARG QD 2.800 . 2.800 2.308 2.048 2.824 0.024 25 0 "[ . 1 . 2 . 3]" 1
407 1 37 GLY H 1 38 GLY H 7.000 . 7.000 3.898 2.109 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 37 GLY H 1 70 LEU QB 7.000 . 7.000 8.306 3.566 11.753 4.753 7 21 "[******+ 1 ** ** ******** - *3]" 1
409 1 37 GLY QA 1 38 GLY H 5.000 . 5.000 2.239 2.050 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 38 GLY H 1 62 VAL H 5.000 . 5.000 4.884 4.198 5.113 0.113 4 0 "[ . 1 . 2 . 3]" 1
411 1 38 GLY QA 1 39 ILE H 3.500 . 3.500 2.450 2.038 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 38 GLY QA 1 39 ILE HB 7.000 . 7.000 4.423 3.852 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 39 ILE H 1 39 ILE HB 3.500 . 3.500 2.537 2.427 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 39 ILE H 1 39 ILE MD 5.000 . 5.000 3.704 3.364 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 39 ILE H 1 39 ILE QG 3.500 . 3.500 2.797 2.268 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 39 ILE H 1 40 TYR H 7.000 . 7.000 4.375 4.092 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 39 ILE H 1 61 ARG HE 7.000 . 7.000 5.815 3.395 7.041 0.041 12 0 "[ . 1 . 2 . 3]" 1
418 1 39 ILE H 1 64 ALA HA 7.000 . 7.000 6.694 5.928 7.109 0.109 4 0 "[ . 1 . 2 . 3]" 1
419 1 39 ILE HA 1 39 ILE MD 2.800 . 2.800 1.966 1.832 2.093 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 39 ILE HA 1 39 ILE MG 2.800 . 2.800 2.506 2.281 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 39 ILE HA 1 40 TYR H 2.800 . 2.800 2.248 2.093 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 39 ILE HB 1 39 ILE MD 3.500 . 3.500 3.235 3.185 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 39 ILE HB 1 40 TYR H 5.000 . 5.000 4.101 3.868 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 39 ILE HB 1 62 VAL H 7.000 . 7.000 3.589 2.988 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 39 ILE HB 1 62 VAL HB 3.500 . 3.500 1.793 1.304 3.651 0.151 27 0 "[ . 1 . 2 . 3]" 1
426 1 39 ILE HB 1 62 VAL QG 7.000 . 7.000 2.605 1.511 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 39 ILE HB 1 70 LEU QD 5.000 . 5.000 3.135 2.447 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 39 ILE HB 1 78 ALA MB 7.000 . 7.000 3.883 3.397 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 39 ILE MD 1 40 TYR H 3.500 . 3.500 3.543 3.356 3.724 0.224 14 0 "[ . 1 . 2 . 3]" 1
430 1 39 ILE MD 1 73 ALA HA 7.000 . 7.000 4.602 3.963 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 39 ILE MD 1 73 ALA MB 3.500 . 3.500 2.435 1.728 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 39 ILE MD 1 75 HIS HA 5.000 . 5.000 2.638 1.805 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 39 ILE MD 1 77 GLN H 5.000 . 5.000 4.853 4.418 5.067 0.067 28 0 "[ . 1 . 2 . 3]" 1
434 1 39 ILE MD 1 78 ALA HA 5.000 . 5.000 4.227 3.603 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 39 ILE MD 1 78 ALA MB 2.800 . 2.800 2.166 1.678 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 39 ILE QG 1 39 ILE MG 2.800 . 2.800 2.286 2.244 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 39 ILE QG 1 72 GLY H 7.000 . 7.000 5.049 2.900 6.582 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 39 ILE QG 1 73 ALA MB 5.000 . 5.000 2.889 2.355 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 39 ILE QG 1 78 ALA MB 5.000 . 5.000 2.131 1.588 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 39 ILE MG 1 40 TYR H 2.800 . 2.800 2.519 2.193 2.988 0.188 19 0 "[ . 1 . 2 . 3]" 1
441 1 39 ILE MG 1 62 VAL HB 5.000 . 5.000 2.459 1.871 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 39 ILE MG 1 78 ALA HA 7.000 . 7.000 4.586 3.648 5.164 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 39 ILE MG 1 78 ALA MB 2.800 . 2.800 2.408 2.024 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 40 TYR H 1 40 TYR QB 3.500 . 3.500 2.518 2.270 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 40 TYR H 1 40 TYR QE 7.000 . 7.000 5.499 4.802 6.305 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 40 TYR HA 1 41 VAL H 2.800 . 2.800 2.213 1.994 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 40 TYR HA 1 61 ARG H 7.000 . 7.000 4.982 4.705 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 40 TYR HA 1 61 ARG HA 3.500 . 3.500 2.497 1.866 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 40 TYR HA 1 61 ARG QG 5.000 . 5.000 3.991 2.846 5.010 0.010 4 0 "[ . 1 . 2 . 3]" 1
450 1 40 TYR HA 1 62 VAL H 3.500 . 3.500 2.991 2.461 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 40 TYR HA 1 62 VAL QG 5.000 . 5.000 3.060 1.819 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 40 TYR QB 1 41 VAL H 5.000 . 5.000 3.311 1.992 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 40 TYR QD 1 41 VAL H 5.000 . 5.000 3.938 2.953 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 41 VAL H 1 41 VAL HB 3.500 . 3.500 2.601 2.448 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 41 VAL H 1 41 VAL QG 2.800 . 2.800 2.027 1.760 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 41 VAL H 1 42 LYS H 5.000 . 5.000 4.302 4.139 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 41 VAL H 1 60 ASP H 5.000 . 5.000 4.077 3.618 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 41 VAL H 1 61 ARG HA 5.000 . 5.000 3.607 2.880 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 41 VAL HA 1 41 VAL QG 2.800 . 2.800 2.135 2.105 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 41 VAL HA 1 42 LYS H 2.800 . 2.800 1.992 1.922 2.053 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 41 VAL HA 1 42 LYS QB 5.000 . 5.000 3.904 3.751 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 41 VAL HA 1 43 ALA H 3.500 . 3.500 3.569 3.539 3.605 0.105 13 0 "[ . 1 . 2 . 3]" 1
463 1 41 VAL HB 1 43 ALA H 7.000 . 7.000 4.786 4.546 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 41 VAL HB 1 44 ILE MD 5.000 . 5.000 3.918 3.532 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 41 VAL HB 1 56 ILE MG 5.000 . 5.000 3.285 2.919 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 41 VAL HB 1 58 LYS H 7.000 . 7.000 5.237 4.715 5.583 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 41 VAL HB 1 58 LYS HA 3.500 . 3.500 2.870 1.939 3.537 0.037 1 0 "[ . 1 . 2 . 3]" 1
468 1 41 VAL HB 1 59 GLY H 3.500 . 3.500 2.777 2.385 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 41 VAL HB 1 60 ASP H 3.500 . 3.500 2.755 2.414 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 41 VAL QG 1 42 LYS H 3.500 . 3.500 2.861 2.704 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 41 VAL QG 1 42 LYS HA 7.000 . 7.000 4.093 3.938 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 41 VAL QG 1 43 ALA H 3.500 . 3.500 2.581 2.405 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 41 VAL QG 1 44 ILE MD 2.800 . 2.800 2.018 1.774 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 41 VAL QG 1 56 ILE MG 3.500 . 3.500 1.763 1.587 1.934 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 41 VAL QG 1 58 LYS H 5.000 . 5.000 4.061 3.630 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 41 VAL QG 1 58 LYS HA 2.800 . 2.800 2.397 2.092 2.809 0.009 12 0 "[ . 1 . 2 . 3]" 1
477 1 41 VAL QG 1 58 LYS QB 5.000 . 5.000 3.323 2.414 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 41 VAL QG 1 59 GLY H 3.500 . 3.500 3.294 2.892 3.543 0.043 4 0 "[ . 1 . 2 . 3]" 1
479 1 41 VAL QG 1 60 ASP H 3.500 . 3.500 3.417 3.162 3.564 0.064 25 0 "[ . 1 . 2 . 3]" 1
480 1 41 VAL QG 1 60 ASP QB 3.500 . 3.500 2.716 2.210 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 42 LYS H 1 42 LYS QB 3.500 . 3.500 2.257 2.129 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 42 LYS H 1 42 LYS QE 7.000 . 7.000 5.529 3.908 6.170 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 42 LYS H 1 43 ALA H 3.500 . 3.500 2.249 2.099 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 42 LYS H 1 43 ALA MB 7.000 . 7.000 4.416 4.229 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 42 LYS H 1 59 GLY H 7.000 . 7.000 4.910 4.545 6.163 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 42 LYS HA 1 42 LYS QB 2.800 . 2.800 2.356 2.322 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 42 LYS HA 1 42 LYS QG 2.800 . 2.800 2.505 2.438 2.873 0.073 25 0 "[ . 1 . 2 . 3]" 1
488 1 42 LYS HA 1 43 ALA H 5.000 . 5.000 3.504 3.458 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 42 LYS QB 1 43 ALA H 3.500 . 3.500 2.669 2.517 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 42 LYS QE 1 42 LYS QG 2.800 . 2.800 2.271 2.090 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 42 LYS QE 1 43 ALA MB 7.000 . 7.000 3.941 2.830 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 42 LYS QG 1 43 ALA H 7.000 . 7.000 3.795 3.665 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 43 ALA H 1 43 ALA MB 3.500 . 3.500 2.773 2.682 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 43 ALA H 1 44 ILE H 7.000 . 7.000 4.339 4.275 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 43 ALA HA 1 44 ILE H 2.800 . 2.800 2.325 2.171 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 43 ALA MB 1 44 ILE H 2.800 . 2.800 2.474 2.223 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 43 ALA MB 1 44 ILE HB 7.000 . 7.000 4.690 4.380 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 43 ALA MB 1 45 ILE HA 7.000 . 7.000 4.595 4.208 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 43 ALA MB 1 45 ILE MD 3.500 . 3.500 2.966 1.972 3.514 0.014 12 0 "[ . 1 . 2 . 3]" 1
500 1 43 ALA MB 1 58 LYS QB 7.000 . 7.000 3.954 3.111 5.214 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 44 ILE H 1 44 ILE HB 2.800 . 2.800 2.616 2.497 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 44 ILE H 1 44 ILE MD 3.500 . 3.500 3.459 2.812 3.598 0.098 3 0 "[ . 1 . 2 . 3]" 1
503 1 44 ILE H 1 44 ILE QG 5.000 . 5.000 2.725 2.361 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 44 ILE H 1 45 ILE H 7.000 . 7.000 4.270 4.150 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 44 ILE H 1 58 LYS QB 7.000 . 7.000 3.719 2.740 5.362 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 44 ILE HA 1 44 ILE MD 2.800 . 2.800 2.153 1.748 2.820 0.020 1 0 "[ . 1 . 2 . 3]" 1
507 1 44 ILE HA 1 44 ILE QG 3.500 . 3.500 2.967 2.324 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 44 ILE HA 1 44 ILE MG 2.800 . 2.800 2.400 2.270 2.965 0.165 3 0 "[ . 1 . 2 . 3]" 1
509 1 44 ILE HA 1 45 ILE H 2.800 . 2.800 2.136 2.033 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 44 ILE HA 1 45 ILE HB 7.000 . 7.000 4.514 4.128 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 44 ILE HA 1 45 ILE QG 7.000 . 7.000 4.279 3.400 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 44 ILE HB 1 44 ILE MD 3.500 . 3.500 3.130 2.148 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 44 ILE HB 1 44 ILE QG 2.800 . 2.800 2.204 2.173 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 44 ILE MD 1 44 ILE MG 2.800 . 2.800 2.091 1.893 3.052 0.252 19 0 "[ . 1 . 2 . 3]" 1
515 1 44 ILE MD 1 45 ILE H 5.000 . 5.000 3.873 3.244 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 44 ILE MD 1 50 ALA MB 2.800 . 2.800 2.544 1.962 2.957 0.157 19 0 "[ . 1 . 2 . 3]" 1
517 1 44 ILE MD 1 51 GLU H 7.000 . 7.000 4.328 3.542 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 44 ILE MD 1 51 GLU HA 5.000 . 5.000 4.328 3.491 4.948 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 44 ILE MD 1 56 ILE H 7.000 . 7.000 4.581 4.080 5.151 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 44 ILE MD 1 56 ILE HA 5.000 . 5.000 4.406 4.021 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 44 ILE MD 1 56 ILE HB 5.000 . 5.000 3.118 2.321 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 44 ILE MD 1 56 ILE MG 2.800 . 2.800 2.402 1.913 2.839 0.039 24 0 "[ . 1 . 2 . 3]" 1
523 1 44 ILE MD 1 57 HIS H 5.000 . 5.000 3.541 3.171 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 44 ILE MD 1 57 HIS HA 3.500 . 3.500 2.231 1.601 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 44 ILE MD 1 58 LYS H 5.000 . 5.000 3.213 2.547 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 44 ILE MD 1 58 LYS HA 5.000 . 5.000 3.280 2.573 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 44 ILE QG 1 44 ILE MG 2.800 . 2.800 2.247 1.923 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 44 ILE QG 1 56 ILE MG 5.000 . 5.000 4.073 3.426 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 44 ILE QG 1 57 HIS HA 5.000 . 5.000 2.400 1.882 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 44 ILE MG 1 45 ILE H 3.500 . 3.500 2.834 2.393 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 44 ILE MG 1 51 GLU H 3.500 . 3.500 2.804 2.185 3.518 0.018 3 0 "[ . 1 . 2 . 3]" 1
532 1 44 ILE MG 1 51 GLU HA 2.800 . 2.800 2.841 2.484 3.016 0.216 23 0 "[ . 1 . 2 . 3]" 1
533 1 44 ILE MG 1 51 GLU QB 3.500 . 3.500 1.650 1.215 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 44 ILE MG 1 51 GLU QG 3.500 . 3.500 2.861 1.882 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 44 ILE MG 1 52 SER H 5.000 . 5.000 4.483 3.814 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 45 ILE H 1 45 ILE HB 3.500 . 3.500 2.438 2.174 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 45 ILE H 1 45 ILE MD 3.500 . 3.500 2.772 2.106 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 45 ILE H 1 45 ILE QG 3.500 . 3.500 2.912 2.134 3.621 0.121 1 0 "[ . 1 . 2 . 3]" 1
539 1 45 ILE HA 1 45 ILE MD 2.800 . 2.800 2.413 1.923 2.928 0.128 7 0 "[ . 1 . 2 . 3]" 1
540 1 45 ILE HA 1 45 ILE QG 3.500 . 3.500 2.704 2.309 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 45 ILE HA 1 45 ILE MG 2.800 . 2.800 2.534 2.362 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 45 ILE HA 1 46 PRO QD 3.500 . 3.500 2.047 1.668 3.553 0.053 7 0 "[ . 1 . 2 . 3]" 1
543 1 45 ILE HB 1 45 ILE MD 3.500 . 3.500 2.831 2.363 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 45 ILE MD 1 45 ILE MG 3.500 . 3.500 2.658 1.996 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 45 ILE QG 1 45 ILE MG 2.800 . 2.800 2.174 2.057 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 45 ILE MG 1 46 PRO QB 7.000 . 7.000 3.781 2.968 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 45 ILE MG 1 46 PRO QD 2.800 . 2.800 2.255 1.796 2.815 0.015 23 0 "[ . 1 . 2 . 3]" 1
548 1 45 ILE MG 1 46 PRO QG 5.000 . 5.000 3.644 2.413 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 45 ILE MG 1 48 GLY H 5.000 . 5.000 4.455 1.709 6.837 1.837 18 4 "[- . * 1 . + 2 * . 3]" 1
550 1 45 ILE MG 1 48 GLY QA 7.000 . 7.000 5.257 2.327 7.012 0.012 18 0 "[ . 1 . 2 . 3]" 1
551 1 46 PRO HA 1 47 LYS H 2.800 . 2.800 2.721 2.055 3.500 0.700 3 7 "[ + ** 1-* *. 2 .* 3]" 1
552 1 46 PRO HA 1 47 LYS HA 5.000 . 5.000 4.537 4.220 5.146 0.146 26 0 "[ . 1 . 2 . 3]" 1
553 1 46 PRO HA 1 48 GLY H 5.000 . 5.000 3.806 2.966 5.013 0.013 24 0 "[ . 1 . 2 . 3]" 1
554 1 46 PRO QB 1 46 PRO QD 3.500 . 3.500 2.745 2.636 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 46 PRO QB 1 47 LYS H 5.000 . 5.000 2.835 1.200 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 46 PRO QB 1 47 LYS QG 5.000 . 5.000 4.793 3.176 5.270 0.270 8 0 "[ . 1 . 2 . 3]" 1
557 1 46 PRO QG 1 47 LYS H 5.000 . 5.000 4.230 3.048 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 47 LYS H 1 47 LYS HA 2.800 . 2.800 2.557 2.118 2.903 0.103 14 0 "[ . 1 . 2 . 3]" 1
559 1 47 LYS H 1 47 LYS QG 5.000 . 5.000 3.963 2.147 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 47 LYS H 1 48 GLY H 3.500 . 3.500 2.751 1.772 3.580 0.080 7 0 "[ . 1 . 2 . 3]" 1
561 1 47 LYS HA 1 47 LYS QB 2.800 . 2.800 2.439 2.360 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 47 LYS HA 1 47 LYS QD 2.800 . 2.800 2.252 1.747 2.882 0.082 15 0 "[ . 1 . 2 . 3]" 1
563 1 47 LYS HA 1 47 LYS QG 2.800 . 2.800 2.641 2.122 2.905 0.105 21 0 "[ . 1 . 2 . 3]" 1
564 1 47 LYS HA 1 48 GLY H 3.500 . 3.500 3.258 2.402 3.588 0.088 17 0 "[ . 1 . 2 . 3]" 1
565 1 47 LYS QB 1 47 LYS QD 3.500 . 3.500 2.359 2.225 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 47 LYS QB 1 48 GLY H 5.000 . 5.000 3.028 1.894 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 47 LYS QE 1 47 LYS QG 3.500 . 3.500 2.318 2.114 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 48 GLY H 1 49 ALA H 5.000 . 5.000 3.455 1.791 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 48 GLY H 1 49 ALA MB 7.000 . 7.000 4.233 3.133 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 48 GLY H 1 52 SER H 5.000 . 5.000 4.613 3.798 5.055 0.055 23 0 "[ . 1 . 2 . 3]" 1
571 1 48 GLY QA 1 49 ALA H 2.800 . 2.800 2.312 1.940 2.814 0.014 29 0 "[ . 1 . 2 . 3]" 1
572 1 48 GLY QA 1 49 ALA MB 5.000 . 5.000 3.686 3.257 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 49 ALA H 1 49 ALA MB 2.800 . 2.800 2.741 2.046 2.941 0.141 6 0 "[ . 1 . 2 . 3]" 1
574 1 49 ALA H 1 50 ALA H 5.000 . 5.000 3.648 2.340 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 49 ALA H 1 52 SER HA 7.000 . 7.000 5.535 4.721 7.073 0.073 15 0 "[ . 1 . 2 . 3]" 1
576 1 49 ALA H 1 53 ASP HA 7.000 . 7.000 6.658 5.460 7.215 0.215 22 0 "[ . 1 . 2 . 3]" 1
577 1 49 ALA HA 1 50 ALA H 3.500 . 3.500 3.506 3.397 3.543 0.043 19 0 "[ . 1 . 2 . 3]" 1
578 1 49 ALA MB 1 50 ALA H 2.800 . 2.800 1.969 1.803 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 50 ALA H 1 50 ALA MB 2.800 . 2.800 2.288 2.170 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 50 ALA H 1 51 GLU H 3.500 . 3.500 2.598 2.265 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 50 ALA H 1 56 ILE HB 7.000 . 7.000 5.193 4.785 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 50 ALA H 1 56 ILE QG 7.000 . 7.000 5.943 4.724 6.597 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 50 ALA HA 1 53 ASP QB 5.000 . 5.000 3.336 2.412 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 50 ALA MB 1 51 GLU H 3.500 . 3.500 2.699 2.516 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 50 ALA MB 1 52 SER H 7.000 . 7.000 4.609 4.408 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 50 ALA MB 1 56 ILE MD 3.500 . 3.500 2.591 1.700 3.598 0.098 4 0 "[ . 1 . 2 . 3]" 1
587 1 51 GLU H 1 51 GLU QB 2.800 . 2.800 2.227 2.059 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 51 GLU H 1 51 GLU QG 5.000 . 5.000 3.952 3.788 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 51 GLU H 1 52 SER H 3.500 . 3.500 2.467 2.097 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 51 GLU H 1 53 ASP H 7.000 . 7.000 4.033 3.671 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 51 GLU H 1 54 GLY QA 5.000 . 5.000 5.050 4.862 5.117 0.117 3 0 "[ . 1 . 2 . 3]" 1
592 1 51 GLU HA 1 51 GLU QG 2.800 . 2.800 2.507 2.359 2.912 0.112 3 0 "[ . 1 . 2 . 3]" 1
593 1 51 GLU HA 1 52 SER H 5.000 . 5.000 3.558 3.439 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 51 GLU QB 1 52 SER H 3.500 . 3.500 2.544 2.294 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 51 GLU QB 1 53 ASP H 7.000 . 7.000 4.716 4.373 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 51 GLU QG 1 52 SER H 5.000 . 5.000 3.871 3.282 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 51 GLU QG 1 52 SER HA 5.000 . 5.000 3.894 3.165 5.062 0.062 5 0 "[ . 1 . 2 . 3]" 1
598 1 52 SER H 1 52 SER HA 2.800 . 2.800 2.824 2.802 2.844 0.044 29 0 "[ . 1 . 2 . 3]" 1
599 1 52 SER H 1 52 SER QB 2.800 . 2.800 2.464 2.233 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 52 SER H 1 53 ASP H 3.500 . 3.500 2.492 2.130 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 52 SER H 1 53 ASP QB 7.000 . 7.000 4.317 3.976 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 52 SER HA 1 52 SER QB 2.800 . 2.800 2.291 2.146 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 52 SER HA 1 53 ASP H 3.500 . 3.500 3.540 3.446 3.580 0.080 8 0 "[ . 1 . 2 . 3]" 1
604 1 52 SER QB 1 53 ASP H 3.500 . 3.500 2.706 2.188 3.548 0.048 23 0 "[ . 1 . 2 . 3]" 1
605 1 53 ASP H 1 53 ASP QB 2.800 . 2.800 2.267 2.082 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 53 ASP H 1 54 GLY H 3.500 . 3.500 2.314 1.789 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 53 ASP HA 1 54 GLY H 5.000 . 5.000 3.448 3.311 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 53 ASP QB 1 54 GLY H 3.500 . 3.500 2.734 2.344 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 53 ASP QB 1 55 ARG H 7.000 . 7.000 3.715 2.534 6.074 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 54 GLY H 1 54 GLY QA 2.800 . 2.800 2.168 2.108 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 54 GLY H 1 55 ARG H 3.500 . 3.500 2.731 2.357 3.588 0.088 15 0 "[ . 1 . 2 . 3]" 1
612 1 54 GLY H 1 55 ARG QB 7.000 . 7.000 4.775 3.861 5.954 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 54 GLY H 1 55 ARG HE 7.000 . 7.000 5.669 4.247 7.004 0.004 10 0 "[ . 1 . 2 . 3]" 1
614 1 54 GLY H 1 55 ARG QG 7.000 . 7.000 4.029 3.439 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 54 GLY H 1 56 ILE H 5.000 . 5.000 4.513 4.021 5.178 0.178 11 0 "[ . 1 . 2 . 3]" 1
616 1 54 GLY QA 1 55 ARG H 5.000 . 5.000 2.450 1.919 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 55 ARG H 1 55 ARG QB 3.500 . 3.500 2.675 1.885 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 55 ARG H 1 55 ARG HE 5.000 . 5.000 4.691 3.420 5.112 0.112 5 0 "[ . 1 . 2 . 3]" 1
619 1 55 ARG H 1 55 ARG QG 2.800 . 2.800 2.786 2.554 3.248 0.448 10 0 "[ . 1 . 2 . 3]" 1
620 1 55 ARG H 1 56 ILE H 3.500 . 3.500 2.173 1.484 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 55 ARG H 1 56 ILE HB 7.000 . 7.000 4.397 3.465 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 55 ARG H 1 57 HIS H 7.000 . 7.000 6.083 5.595 6.399 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 55 ARG HA 1 55 ARG QG 3.500 . 3.500 2.762 2.207 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 55 ARG QB 1 55 ARG HE 5.000 . 5.000 3.466 1.751 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 55 ARG QB 1 56 ILE H 5.000 . 5.000 2.418 1.552 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 55 ARG QB 1 56 ILE QG 3.500 . 3.500 2.571 1.923 3.507 0.007 6 0 "[ . 1 . 2 . 3]" 1
627 1 55 ARG HE 1 55 ARG QG 3.500 . 3.500 2.280 2.067 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 56 ILE H 1 56 ILE HB 2.800 . 2.800 2.517 2.399 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 56 ILE H 1 56 ILE MD 3.500 . 3.500 3.523 3.090 3.614 0.114 8 0 "[ . 1 . 2 . 3]" 1
630 1 56 ILE H 1 56 ILE QG 2.800 . 2.800 2.237 1.979 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 56 ILE HA 1 56 ILE QG 3.500 . 3.500 2.548 2.421 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 56 ILE HA 1 56 ILE MG 2.800 . 2.800 2.355 2.302 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 56 ILE HA 1 57 HIS H 2.800 . 2.800 2.196 2.091 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 56 ILE HA 1 93 LEU QD 7.000 . 7.000 3.493 2.981 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 56 ILE HB 1 56 ILE MD 2.800 . 2.800 2.486 2.280 3.245 0.445 10 0 "[ . 1 . 2 . 3]" 1
636 1 56 ILE HB 1 57 HIS H 5.000 . 5.000 3.994 3.804 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 56 ILE MD 1 93 LEU QD 2.800 . 2.800 2.393 1.758 2.827 0.027 6 0 "[ . 1 . 2 . 3]" 1
638 1 56 ILE QG 1 93 LEU QD 3.500 . 3.500 2.360 1.882 3.596 0.096 4 0 "[ . 1 . 2 . 3]" 1
639 1 56 ILE MG 1 57 HIS H 3.500 . 3.500 2.462 2.216 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 56 ILE MG 1 57 HIS HA 7.000 . 7.000 3.508 3.226 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 56 ILE MG 1 58 LYS HA 5.000 . 5.000 4.261 3.700 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 56 ILE MG 1 60 ASP H 5.000 . 5.000 4.074 3.517 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 56 ILE MG 1 60 ASP QB 3.500 . 3.500 2.547 2.063 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 57 HIS H 1 57 HIS QB 3.500 . 3.500 2.755 2.440 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 57 HIS H 1 58 LYS H 5.000 . 5.000 4.330 4.180 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 57 HIS H 1 58 LYS QB 7.000 . 7.000 5.865 5.663 6.055 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 57 HIS H 1 60 ASP QB 5.000 . 5.000 3.084 2.571 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 57 HIS HA 1 58 LYS H 2.800 . 2.800 2.557 2.306 2.813 0.013 9 0 "[ . 1 . 2 . 3]" 1
649 1 57 HIS QB 1 58 LYS H 3.500 . 3.500 2.527 2.020 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 58 LYS H 1 58 LYS QB 2.800 . 2.800 2.594 2.061 2.814 0.014 29 0 "[ . 1 . 2 . 3]" 1
651 1 58 LYS H 1 58 LYS QG 3.500 . 3.500 2.297 1.911 3.722 0.222 12 0 "[ . 1 . 2 . 3]" 1
652 1 58 LYS H 1 59 GLY H 7.000 . 7.000 4.492 3.293 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 58 LYS HA 1 58 LYS QG 3.500 . 3.500 3.149 2.370 3.535 0.035 5 0 "[ . 1 . 2 . 3]" 1
654 1 58 LYS HA 1 59 GLY H 2.800 . 2.800 2.178 2.077 2.823 0.023 1 0 "[ . 1 . 2 . 3]" 1
655 1 58 LYS HA 1 60 ASP H 7.000 . 7.000 3.311 2.874 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 58 LYS QB 1 59 GLY H 5.000 . 5.000 3.031 2.558 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 58 LYS QE 1 58 LYS QG 3.500 . 3.500 2.320 2.100 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 58 LYS QG 1 59 GLY H 5.000 . 5.000 4.048 2.776 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 59 GLY H 1 60 ASP H 3.500 . 3.500 2.475 1.736 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 59 GLY H 1 60 ASP QB 7.000 . 7.000 4.443 3.850 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 59 GLY QA 1 60 ASP H 3.500 . 3.500 2.888 2.765 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 60 ASP H 1 60 ASP QB 3.500 . 3.500 2.389 2.304 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 60 ASP H 1 95 LYS HA 7.000 . 7.000 6.068 5.436 6.832 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 60 ASP H 1 96 GLY H 5.000 . 5.000 4.544 4.109 5.058 0.058 20 0 "[ . 1 . 2 . 3]" 1
665 1 60 ASP H 1 97 GLN HA 7.000 . 7.000 6.146 3.845 7.119 0.119 20 0 "[ . 1 . 2 . 3]" 1
666 1 60 ASP HA 1 61 ARG H 2.800 . 2.800 2.155 2.040 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 60 ASP HA 1 96 GLY H 3.500 . 3.500 2.226 1.850 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 60 ASP QB 1 62 VAL H 7.000 . 7.000 5.293 5.036 5.793 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 61 ARG H 1 61 ARG QB 3.500 . 3.500 2.337 2.156 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 61 ARG H 1 61 ARG HE 7.000 . 7.000 5.581 4.559 6.669 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 61 ARG H 1 61 ARG QG 5.000 . 5.000 3.602 2.123 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 61 ARG H 1 62 VAL QG 7.000 . 7.000 4.592 4.325 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 61 ARG H 1 93 LEU QD 7.000 . 7.000 3.807 3.404 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 61 ARG H 1 94 GLU QB 5.000 . 5.000 3.924 3.072 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 61 ARG H 1 96 GLY H 5.000 . 5.000 3.130 1.734 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 61 ARG H 1 96 GLY QA 7.000 . 7.000 2.784 2.259 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 61 ARG HA 1 62 VAL H 3.500 . 3.500 2.124 1.909 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 61 ARG HA 1 62 VAL QG 7.000 . 7.000 3.363 3.088 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 61 ARG HA 1 63 LEU QD 7.000 . 7.000 4.936 4.408 6.059 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 61 ARG QB 1 62 VAL H 5.000 . 5.000 3.365 2.372 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 61 ARG QB 1 62 VAL QG 5.000 . 5.000 4.495 3.916 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 61 ARG QB 1 63 LEU H 7.000 . 7.000 5.150 4.452 5.654 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 61 ARG QD 1 63 LEU QD 5.000 . 5.000 2.896 1.894 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 61 ARG HE 1 61 ARG QG 3.500 . 3.500 2.536 2.232 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 61 ARG HE 1 63 LEU QD 5.000 . 5.000 3.491 2.224 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 61 ARG QG 1 62 VAL H 3.500 . 3.500 2.895 2.137 3.708 0.208 10 0 "[ . 1 . 2 . 3]" 1
687 1 62 VAL H 1 62 VAL HB 3.500 . 3.500 2.651 2.568 3.593 0.093 27 0 "[ . 1 . 2 . 3]" 1
688 1 62 VAL H 1 62 VAL QG 3.500 . 3.500 2.505 2.084 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 62 VAL H 1 63 LEU QD 5.000 . 5.000 4.252 3.690 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 62 VAL H 1 64 ALA H 7.000 . 7.000 5.791 5.655 5.967 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 62 VAL H 1 93 LEU HG 5.000 . 5.000 4.262 3.960 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 62 VAL HA 1 62 VAL QG 2.800 . 2.800 2.174 2.141 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 62 VAL HA 1 63 LEU H 2.800 . 2.800 2.004 1.931 2.069 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 62 VAL HA 1 63 LEU QD 7.000 . 7.000 4.129 3.722 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 62 VAL HA 1 63 LEU HG 5.000 . 5.000 3.796 3.424 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 62 VAL HA 1 64 ALA H 3.500 . 3.500 3.560 3.508 3.622 0.122 7 0 "[ . 1 . 2 . 3]" 1
697 1 62 VAL HA 1 93 LEU HA 3.500 . 3.500 2.347 2.024 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 62 VAL HA 1 93 LEU QD 3.500 . 3.500 2.795 2.144 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 62 VAL HA 1 93 LEU HG 2.800 . 2.800 2.247 1.679 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 62 VAL HA 1 94 GLU H 5.000 . 5.000 3.681 3.126 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 62 VAL QG 1 63 LEU H 3.500 . 3.500 2.775 2.477 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 62 VAL QG 1 64 ALA H 3.500 . 3.500 2.613 2.237 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 62 VAL QG 1 64 ALA HA 5.000 . 5.000 3.569 3.274 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 62 VAL QG 1 64 ALA MB 5.000 . 5.000 4.152 3.938 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 62 VAL QG 1 70 LEU QD 3.500 . 3.500 2.017 1.759 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 63 LEU H 1 63 LEU QB 2.800 . 2.800 2.451 2.229 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 63 LEU H 1 63 LEU QD 3.500 . 3.500 3.219 3.044 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 63 LEU H 1 63 LEU HG 3.500 . 3.500 2.605 2.370 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 63 LEU H 1 64 ALA H 2.800 . 2.800 2.086 1.893 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 63 LEU H 1 64 ALA MB 5.000 . 5.000 4.284 4.111 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 63 LEU H 1 93 LEU HA 3.500 . 3.500 2.437 2.058 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 63 LEU HA 1 63 LEU QB 2.800 . 2.800 2.349 2.282 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 63 LEU HA 1 63 LEU QD 2.800 . 2.800 2.081 1.897 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 63 LEU HA 1 63 LEU HG 3.500 . 3.500 3.204 2.964 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 63 LEU HA 1 64 ALA H 3.500 . 3.500 3.490 3.452 3.514 0.014 24 0 "[ . 1 . 2 . 3]" 1
716 1 63 LEU QB 1 63 LEU QD 2.800 . 2.800 1.939 1.899 1.968 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 63 LEU QB 1 64 ALA H 5.000 . 5.000 2.625 2.398 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 63 LEU QB 1 64 ALA MB 3.500 . 3.500 3.051 2.881 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 63 LEU QB 1 94 GLU H 5.000 . 5.000 4.972 4.745 5.069 0.069 16 0 "[ . 1 . 2 . 3]" 1
720 1 63 LEU QB 1 94 GLU QB 5.000 . 5.000 4.238 3.831 5.046 0.046 1 0 "[ . 1 . 2 . 3]" 1
721 1 63 LEU QD 1 93 LEU H 5.000 . 5.000 4.460 3.520 5.007 0.007 21 0 "[ . 1 . 2 . 3]" 1
722 1 63 LEU QD 1 94 GLU QB 2.800 . 2.800 1.971 1.392 2.869 0.069 1 0 "[ . 1 . 2 . 3]" 1
723 1 63 LEU QD 1 94 GLU QG 7.000 . 7.000 3.180 1.684 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 63 LEU HG 1 92 LEU QB 5.000 . 5.000 4.785 4.218 5.036 0.036 16 0 "[ . 1 . 2 . 3]" 1
725 1 63 LEU HG 1 92 LEU QD 5.000 . 5.000 3.464 3.005 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 63 LEU HG 1 93 LEU HA 3.500 . 3.500 3.064 2.467 3.549 0.049 25 0 "[ . 1 . 2 . 3]" 1
727 1 64 ALA H 1 64 ALA MB 3.500 . 3.500 2.755 2.686 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 64 ALA H 1 65 VAL H 5.000 . 5.000 4.317 4.260 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 64 ALA H 1 70 LEU QD 3.500 . 3.500 3.429 3.238 3.559 0.059 19 0 "[ . 1 . 2 . 3]" 1
730 1 64 ALA H 1 92 LEU H 3.500 . 3.500 3.095 2.885 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 64 ALA H 1 92 LEU QB 2.800 . 2.800 2.486 2.254 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 64 ALA H 1 92 LEU QD 3.500 . 3.500 3.492 3.175 3.576 0.076 13 0 "[ . 1 . 2 . 3]" 1
733 1 64 ALA H 1 93 LEU HA 7.000 . 7.000 3.987 3.764 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 64 ALA H 1 93 LEU QD 5.000 . 5.000 3.959 3.484 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 64 ALA HA 1 65 VAL H 2.800 . 2.800 2.402 2.187 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 64 ALA HA 1 65 VAL QG 5.000 . 5.000 3.420 3.177 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 64 ALA HA 1 69 SER HA 3.500 . 3.500 2.552 1.841 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 64 ALA HA 1 70 LEU H 3.500 . 3.500 2.323 1.907 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 64 ALA HA 1 70 LEU QD 7.000 . 7.000 2.362 1.834 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 64 ALA MB 1 65 VAL H 3.500 . 3.500 2.212 1.965 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 64 ALA MB 1 67 GLY H 5.000 . 5.000 2.998 2.644 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 64 ALA MB 1 67 GLY QA 5.000 . 5.000 3.166 2.725 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 64 ALA MB 1 68 VAL H 3.500 . 3.500 3.141 2.821 3.517 0.017 28 0 "[ . 1 . 2 . 3]" 1
744 1 64 ALA MB 1 68 VAL HB 7.000 . 7.000 4.148 3.859 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 64 ALA MB 1 69 SER HA 2.800 . 2.800 1.959 1.617 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 64 ALA MB 1 69 SER QB 3.500 . 3.500 3.247 2.446 3.561 0.061 25 0 "[ . 1 . 2 . 3]" 1
747 1 64 ALA MB 1 70 LEU H 5.000 . 5.000 3.057 2.463 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 64 ALA MB 1 70 LEU QD 3.500 . 3.500 3.505 2.981 3.698 0.198 16 0 "[ . 1 . 2 . 3]" 1
749 1 64 ALA MB 1 92 LEU QB 2.800 . 2.800 1.809 1.556 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 64 ALA MB 1 92 LEU QD 2.800 . 2.800 2.356 1.833 2.841 0.041 9 0 "[ . 1 . 2 . 3]" 1
751 1 65 VAL H 1 65 VAL HB 3.500 . 3.500 2.802 2.551 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 65 VAL H 1 65 VAL QG 3.500 . 3.500 2.414 1.911 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 65 VAL H 1 67 GLY H 7.000 . 7.000 3.997 3.586 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 65 VAL H 1 68 VAL H 3.500 . 3.500 3.171 2.884 3.509 0.009 10 0 "[ . 1 . 2 . 3]" 1
755 1 65 VAL H 1 68 VAL HB 5.000 . 5.000 3.255 3.003 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 65 VAL H 1 68 VAL QG 7.000 . 7.000 3.798 3.669 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 65 VAL H 1 91 LEU HG 5.000 . 5.000 5.103 4.885 5.197 0.197 21 0 "[ . 1 . 2 . 3]" 1
758 1 65 VAL HA 1 65 VAL QG 2.800 . 2.800 2.231 2.144 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 65 VAL HA 1 66 ASN H 2.800 . 2.800 2.214 2.041 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 65 VAL HA 1 91 LEU QD 3.500 . 3.500 2.567 1.486 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 65 VAL HB 1 66 ASN H 5.000 . 5.000 4.366 4.131 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 65 VAL HB 1 81 THR MG 2.800 . 2.800 2.433 1.911 3.005 0.205 16 0 "[ . 1 . 2 . 3]" 1
763 1 65 VAL QG 1 66 ASN H 3.500 . 3.500 3.057 2.760 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 65 VAL QG 1 66 ASN QB 5.000 . 5.000 2.981 2.365 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 65 VAL QG 1 68 VAL HB 5.000 . 5.000 3.138 1.620 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 65 VAL QG 1 71 GLU QG 7.000 . 7.000 6.716 6.033 7.099 0.099 2 0 "[ . 1 . 2 . 3]" 1
767 1 65 VAL QG 1 78 ALA HA 7.000 . 7.000 3.717 2.800 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 65 VAL QG 1 81 THR HA 5.000 . 5.000 4.077 3.787 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 65 VAL QG 1 81 THR HB 2.800 . 2.800 2.447 1.872 2.906 0.106 19 0 "[ . 1 . 2 . 3]" 1
770 1 65 VAL QG 1 81 THR MG 2.800 . 2.800 1.739 1.138 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 65 VAL QG 1 82 LEU HA 5.000 . 5.000 3.063 2.095 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 65 VAL QG 1 85 THR H 5.000 . 5.000 4.385 3.937 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 65 VAL QG 1 85 THR MG 2.800 . 2.800 2.204 1.753 2.817 0.017 21 0 "[ . 1 . 2 . 3]" 1
774 1 65 VAL QG 1 91 LEU HA 5.000 . 5.000 3.170 2.525 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 65 VAL QG 1 91 LEU HG 3.500 . 3.500 2.689 1.509 3.675 0.175 16 0 "[ . 1 . 2 . 3]" 1
776 1 66 ASN H 1 67 GLY H 5.000 . 5.000 2.850 2.546 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 66 ASN H 1 89 VAL QG 7.000 . 7.000 4.166 3.198 5.846 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 66 ASN H 1 90 HIS H 5.000 . 5.000 4.387 3.644 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 66 ASN H 1 90 HIS HA 7.000 . 7.000 4.769 4.561 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 66 ASN H 1 90 HIS QB 3.500 . 3.500 3.355 2.996 3.594 0.094 22 0 "[ . 1 . 2 . 3]" 1
781 1 66 ASN H 1 91 LEU QD 7.000 . 7.000 3.673 2.800 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 66 ASN HA 1 67 GLY H 3.500 . 3.500 2.657 2.195 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 66 ASN HA 1 90 HIS QB 2.800 . 2.800 2.509 2.042 2.831 0.031 9 0 "[ . 1 . 2 . 3]" 1
784 1 66 ASN QB 1 68 VAL H 5.000 . 5.000 3.968 3.212 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 66 ASN QB 1 90 HIS H 3.500 . 3.500 3.038 2.100 3.729 0.229 13 0 "[ . 1 . 2 . 3]" 1
786 1 66 ASN QD 1 85 THR MG 3.500 . 3.500 2.646 1.942 3.558 0.058 22 0 "[ . 1 . 2 . 3]" 1
787 1 66 ASN QD 1 88 VAL QG 7.000 . 7.000 6.166 5.392 7.015 0.015 9 0 "[ . 1 . 2 . 3]" 1
788 1 66 ASN QD 1 89 VAL HA 5.000 . 5.000 4.701 3.368 5.138 0.138 10 0 "[ . 1 . 2 . 3]" 1
789 1 66 ASN QD 1 89 VAL QG 5.000 . 5.000 4.146 3.088 5.058 0.058 5 0 "[ . 1 . 2 . 3]" 1
790 1 67 GLY H 1 68 VAL H 3.500 . 3.500 2.884 2.718 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 67 GLY H 1 68 VAL QG 7.000 . 7.000 4.453 4.287 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 67 GLY H 1 90 HIS QB 5.000 . 5.000 4.724 4.090 5.068 0.068 29 0 "[ . 1 . 2 . 3]" 1
793 1 67 GLY H 1 92 LEU HA 5.000 . 5.000 5.100 4.982 5.172 0.172 11 0 "[ . 1 . 2 . 3]" 1
794 1 67 GLY QA 1 68 VAL H 5.000 . 5.000 2.959 2.775 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 68 VAL H 1 68 VAL HB 2.800 . 2.800 2.515 2.384 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 68 VAL H 1 68 VAL QG 2.800 . 2.800 2.235 2.052 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 68 VAL HA 1 68 VAL QG 2.800 . 2.800 2.164 2.142 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 68 VAL HA 1 69 SER H 2.800 . 2.800 2.142 2.034 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 68 VAL HB 1 70 LEU QD 7.000 . 7.000 4.105 3.741 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 68 VAL HB 1 81 THR MG 3.500 . 3.500 3.252 2.250 3.638 0.138 28 0 "[ . 1 . 2 . 3]" 1
801 1 68 VAL QG 1 69 SER H 3.500 . 3.500 2.992 2.713 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 68 VAL QG 1 69 SER HA 7.000 . 7.000 4.226 4.004 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 68 VAL QG 1 70 LEU H 5.000 . 5.000 4.791 4.052 5.007 0.007 16 0 "[ . 1 . 2 . 3]" 1
804 1 69 SER H 1 69 SER QB 2.800 . 2.800 2.488 2.234 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 69 SER HA 1 70 LEU H 2.800 . 2.800 2.090 1.918 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 69 SER QB 1 70 LEU H 5.000 . 5.000 3.114 2.779 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 69 SER QB 1 71 GLU H 5.000 . 5.000 3.144 2.250 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 70 LEU H 1 70 LEU QB 3.500 . 3.500 2.637 1.984 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 70 LEU H 1 70 LEU QD 3.500 . 3.500 2.659 1.349 3.527 0.027 20 0 "[ . 1 . 2 . 3]" 1
810 1 70 LEU H 1 70 LEU HG 3.500 . 3.500 3.126 2.518 3.822 0.322 20 0 "[ . 1 . 2 . 3]" 1
811 1 70 LEU H 1 71 GLU HA 5.000 . 5.000 4.546 4.231 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 70 LEU HA 1 70 LEU QD 2.800 . 2.800 2.440 1.998 3.150 0.350 6 0 "[ . 1 . 2 . 3]" 1
813 1 70 LEU HA 1 71 GLU H 3.500 . 3.500 2.740 1.993 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 70 LEU QB 1 70 LEU QD 2.800 . 2.800 1.914 1.777 2.090 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 70 LEU QB 1 70 LEU HG 2.800 . 2.800 2.325 2.031 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 70 LEU QB 1 71 GLU H 5.000 . 5.000 3.698 3.294 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 70 LEU QB 1 73 ALA MB 3.500 . 3.500 2.281 1.752 3.715 0.215 20 0 "[ . 1 . 2 . 3]" 1
818 1 70 LEU QD 1 71 GLU H 7.000 . 7.000 4.023 2.951 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 70 LEU QD 1 73 ALA MB 2.800 . 2.800 2.474 1.950 2.851 0.051 18 0 "[ . 1 . 2 . 3]" 1
820 1 70 LEU QD 1 78 ALA H 3.500 . 3.500 3.562 3.390 3.676 0.176 10 0 "[ . 1 . 2 . 3]" 1
821 1 70 LEU QD 1 78 ALA HA 2.800 . 2.800 1.925 1.620 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 70 LEU QD 1 81 THR HB 3.500 . 3.500 2.958 2.446 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 70 LEU QD 1 81 THR MG 2.800 . 2.800 2.832 2.534 2.925 0.125 28 0 "[ . 1 . 2 . 3]" 1
824 1 71 GLU H 1 71 GLU QB 2.800 . 2.800 2.488 2.201 2.908 0.108 4 0 "[ . 1 . 2 . 3]" 1
825 1 71 GLU H 1 71 GLU QG 3.500 . 3.500 2.250 1.735 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 71 GLU H 1 73 ALA MB 5.000 . 5.000 4.311 3.521 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 71 GLU HA 1 71 GLU QB 2.800 . 2.800 2.309 2.117 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 71 GLU HA 1 71 GLU QG 3.500 . 3.500 2.724 2.365 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 71 GLU HA 1 72 GLY H 3.500 . 3.500 2.572 2.021 3.515 0.015 9 0 "[ . 1 . 2 . 3]" 1
830 1 72 GLY H 1 73 ALA H 5.000 . 5.000 2.329 1.909 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 72 GLY QA 1 73 ALA H 5.000 . 5.000 2.781 2.425 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 72 GLY QA 1 73 ALA MB 5.000 . 5.000 4.181 4.058 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 73 ALA H 1 73 ALA MB 2.800 . 2.800 2.313 2.234 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 73 ALA H 1 74 THR H 5.000 . 5.000 4.424 4.189 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 73 ALA HA 1 74 THR H 2.800 . 2.800 2.352 2.075 2.822 0.022 15 0 "[ . 1 . 2 . 3]" 1
836 1 73 ALA HA 1 77 GLN QB 5.000 . 5.000 3.335 2.492 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 73 ALA MB 1 74 THR H 2.800 . 2.800 2.473 1.676 2.876 0.076 17 0 "[ . 1 . 2 . 3]" 1
838 1 73 ALA MB 1 75 HIS H 7.000 . 7.000 5.151 4.955 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 73 ALA MB 1 77 GLN QB 3.500 . 3.500 2.144 1.735 3.668 0.168 10 0 "[ . 1 . 2 . 3]" 1
840 1 73 ALA MB 1 77 GLN QG 3.500 . 3.500 3.285 1.732 3.619 0.119 21 0 "[ . 1 . 2 . 3]" 1
841 1 73 ALA MB 1 78 ALA H 5.000 . 5.000 3.083 2.863 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 73 ALA MB 1 78 ALA HA 3.500 . 3.500 3.579 3.342 3.647 0.147 17 0 "[ . 1 . 2 . 3]" 1
843 1 74 THR H 1 74 THR MG 2.800 . 2.800 2.172 1.937 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 74 THR H 1 77 GLN QB 3.500 . 3.500 2.345 1.659 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 74 THR H 1 77 GLN QG 5.000 . 5.000 2.662 1.837 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 74 THR HA 1 74 THR MG 3.500 . 3.500 3.081 2.355 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 74 THR HA 1 75 HIS H 3.500 . 3.500 2.480 2.248 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 74 THR MG 1 75 HIS H 5.000 . 5.000 3.365 2.951 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 74 THR MG 1 77 GLN H 3.500 . 3.500 2.381 1.743 3.711 0.211 3 0 "[ . 1 . 2 . 3]" 1
850 1 74 THR MG 1 77 GLN QB 7.000 . 7.000 2.898 2.012 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 74 THR MG 1 77 GLN QG 7.000 . 7.000 2.016 1.518 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 75 HIS H 1 75 HIS QB 2.800 . 2.800 2.468 2.160 2.804 0.004 30 0 "[ . 1 . 2 . 3]" 1
853 1 75 HIS H 1 76 LYS H 5.000 . 5.000 2.886 2.674 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 75 HIS HA 1 75 HIS QB 2.800 . 2.800 2.245 2.139 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 75 HIS HA 1 76 LYS H 7.000 . 7.000 3.535 3.489 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 75 HIS HA 1 78 ALA H 7.000 . 7.000 3.591 3.104 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 75 HIS HA 1 78 ALA MB 2.800 . 2.800 2.710 2.293 2.898 0.098 7 0 "[ . 1 . 2 . 3]" 1
858 1 75 HIS QB 1 76 LYS H 3.500 . 3.500 2.937 2.142 3.513 0.013 9 0 "[ . 1 . 2 . 3]" 1
859 1 75 HIS QB 1 76 LYS QB 7.000 . 7.000 4.487 3.657 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 76 LYS H 1 76 LYS QB 3.500 . 3.500 2.324 1.977 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 76 LYS H 1 76 LYS QG 5.000 . 5.000 2.988 1.824 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 76 LYS H 1 77 GLN H 3.500 . 3.500 2.803 2.657 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 76 LYS HA 1 76 LYS QB 2.800 . 2.800 2.339 2.144 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 76 LYS HA 1 76 LYS QD 5.000 . 5.000 3.617 1.843 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 76 LYS HA 1 76 LYS QG 3.500 . 3.500 2.660 2.376 3.506 0.006 27 0 "[ . 1 . 2 . 3]" 1
866 1 76 LYS HA 1 77 GLN H 5.000 . 5.000 3.552 3.424 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 76 LYS HA 1 79 VAL HB 3.500 . 3.500 2.970 2.242 3.602 0.102 15 0 "[ . 1 . 2 . 3]" 1
868 1 76 LYS HA 1 79 VAL QG 3.500 . 3.500 3.270 1.913 3.605 0.105 13 0 "[ . 1 . 2 . 3]" 1
869 1 76 LYS QB 1 77 GLN H 3.500 . 3.500 2.846 2.273 3.586 0.086 27 0 "[ . 1 . 2 . 3]" 1
870 1 76 LYS QB 1 78 ALA H 7.000 . 7.000 4.868 4.449 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 76 LYS QE 1 76 LYS QG 2.800 . 2.800 2.254 2.068 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 77 GLN H 1 77 GLN QB 3.500 . 3.500 2.399 2.167 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 77 GLN H 1 77 GLN QG 2.800 . 2.800 2.473 2.205 2.877 0.077 28 0 "[ . 1 . 2 . 3]" 1
874 1 77 GLN H 1 78 ALA H 3.500 . 3.500 2.508 2.390 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 77 GLN HA 1 77 GLN QB 2.800 . 2.800 2.378 2.178 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 77 GLN HA 1 77 GLN QG 2.800 . 2.800 2.904 2.433 3.479 0.679 10 2 "[ . + . 2 . - 3]" 1
877 1 77 GLN HA 1 78 ALA H 5.000 . 5.000 3.525 3.467 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 77 GLN HA 1 80 GLU H 5.000 . 5.000 3.298 2.797 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 77 GLN QB 1 78 ALA H 3.500 . 3.500 2.599 2.334 3.512 0.012 28 0 "[ . 1 . 2 . 3]" 1
880 1 77 GLN QG 1 78 ALA H 7.000 . 7.000 3.951 2.108 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 78 ALA H 1 78 ALA MB 2.800 . 2.800 2.193 2.162 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 78 ALA H 1 79 VAL H 3.500 . 3.500 2.804 2.633 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 78 ALA H 1 79 VAL HA 7.000 . 7.000 5.353 5.190 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 78 ALA HA 1 79 VAL H 3.500 . 3.500 3.535 3.511 3.556 0.056 26 0 "[ . 1 . 2 . 3]" 1
885 1 78 ALA HA 1 81 THR HB 3.500 . 3.500 3.219 2.821 3.511 0.011 7 0 "[ . 1 . 2 . 3]" 1
886 1 78 ALA HA 1 81 THR MG 5.000 . 5.000 4.359 3.977 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 78 ALA MB 1 79 VAL H 2.800 . 2.800 2.244 2.059 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 78 ALA MB 1 79 VAL HA 7.000 . 7.000 3.719 3.566 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 78 ALA MB 1 81 THR HB 5.000 . 5.000 4.404 4.066 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 79 VAL H 1 79 VAL HA 2.800 . 2.800 2.807 2.796 2.818 0.018 1 0 "[ . 1 . 2 . 3]" 1
891 1 79 VAL H 1 79 VAL HB 2.800 . 2.800 2.550 2.222 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 79 VAL H 1 79 VAL QG 2.800 . 2.800 2.127 1.988 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 79 VAL H 1 80 GLU H 3.500 . 3.500 2.661 2.527 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 79 VAL H 1 82 LEU QD 5.000 . 5.000 4.050 3.681 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 79 VAL HA 1 79 VAL QG 2.800 . 2.800 2.154 2.102 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 79 VAL HA 1 80 GLU H 5.000 . 5.000 3.514 3.449 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 79 VAL HA 1 82 LEU H 5.000 . 5.000 3.080 2.880 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 79 VAL HA 1 82 LEU QB 2.800 . 2.800 2.384 1.919 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 79 VAL HA 1 91 LEU QD 5.000 . 5.000 5.126 5.030 5.260 0.260 23 0 "[ . 1 . 2 . 3]" 1
900 1 79 VAL HB 1 80 GLU H 3.500 . 3.500 2.987 2.767 3.644 0.144 15 0 "[ . 1 . 2 . 3]" 1
901 1 79 VAL QG 1 80 GLU H 5.000 . 5.000 3.353 2.272 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 79 VAL QG 1 80 GLU HA 3.500 . 3.500 3.480 3.046 3.559 0.059 28 0 "[ . 1 . 2 . 3]" 1
903 1 79 VAL QG 1 82 LEU H 5.000 . 5.000 4.054 3.891 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 79 VAL QG 1 82 LEU QB 7.000 . 7.000 2.991 2.688 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 79 VAL QG 1 82 LEU QD 2.800 . 2.800 2.523 2.085 2.876 0.076 5 0 "[ . 1 . 2 . 3]" 1
906 1 79 VAL QG 1 83 ARG QD 5.000 . 5.000 3.849 2.785 5.002 0.002 19 0 "[ . 1 . 2 . 3]" 1
907 1 80 GLU H 1 80 GLU HA 2.800 . 2.800 2.823 2.761 2.850 0.050 15 0 "[ . 1 . 2 . 3]" 1
908 1 80 GLU H 1 80 GLU QB 2.800 . 2.800 2.376 2.035 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 80 GLU H 1 80 GLU QG 3.500 . 3.500 2.756 2.316 3.742 0.242 5 0 "[ . 1 . 2 . 3]" 1
910 1 80 GLU HA 1 80 GLU QB 2.800 . 2.800 2.406 2.174 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 80 GLU HA 1 80 GLU QG 3.500 . 3.500 2.660 2.225 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 80 GLU HA 1 83 ARG QB 3.500 . 3.500 2.456 1.921 3.580 0.080 19 0 "[ . 1 . 2 . 3]" 1
913 1 81 THR H 1 81 THR HA 2.800 . 2.800 2.812 2.772 2.832 0.032 8 0 "[ . 1 . 2 . 3]" 1
914 1 81 THR H 1 81 THR HB 3.500 . 3.500 2.507 2.360 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 81 THR H 1 82 LEU H 3.500 . 3.500 2.466 2.315 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 81 THR HA 1 81 THR MG 2.800 . 2.800 2.385 2.319 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 81 THR HA 1 82 LEU H 5.000 . 5.000 3.524 3.468 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 81 THR HA 1 84 ASN H 5.000 . 5.000 3.190 2.836 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 81 THR HA 1 84 ASN QB 5.000 . 5.000 2.465 1.995 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 81 THR HB 1 82 LEU H 3.500 . 3.500 2.786 2.600 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 81 THR MG 1 82 LEU H 5.000 . 5.000 3.773 3.545 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 81 THR MG 1 82 LEU QB 7.000 . 7.000 4.970 3.993 5.328 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 82 LEU H 1 82 LEU QB 2.800 . 2.800 2.350 1.869 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 82 LEU H 1 82 LEU QD 3.500 . 3.500 2.994 2.012 3.517 0.017 27 0 "[ . 1 . 2 . 3]" 1
925 1 82 LEU H 1 82 LEU HG 3.500 . 3.500 2.588 2.146 3.791 0.291 5 0 "[ . 1 . 2 . 3]" 1
926 1 82 LEU H 1 83 ARG HA 5.000 . 5.000 5.040 4.901 5.074 0.074 29 0 "[ . 1 . 2 . 3]" 1
927 1 82 LEU H 1 83 ARG QB 5.000 . 5.000 4.250 3.905 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 82 LEU H 1 85 THR MG 7.000 . 7.000 4.861 4.183 5.807 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 82 LEU H 1 89 VAL QG 5.000 . 5.000 4.595 3.967 5.034 0.034 2 0 "[ . 1 . 2 . 3]" 1
930 1 82 LEU HA 1 82 LEU QD 2.800 . 2.800 2.071 1.843 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 82 LEU HA 1 82 LEU HG 3.500 . 3.500 3.141 2.465 3.556 0.056 5 0 "[ . 1 . 2 . 3]" 1
932 1 82 LEU HA 1 83 ARG H 5.000 . 5.000 3.404 3.299 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 82 LEU HA 1 85 THR HB 5.000 . 5.000 4.342 2.714 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 82 LEU HA 1 85 THR MG 3.500 . 3.500 3.286 2.443 3.530 0.030 5 0 "[ . 1 . 2 . 3]" 1
935 1 82 LEU QB 1 82 LEU QD 2.800 . 2.800 1.944 1.805 2.058 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 82 LEU QB 1 82 LEU HG 2.800 . 2.800 2.325 1.989 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 82 LEU QB 1 83 ARG H 5.000 . 5.000 2.899 2.534 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 82 LEU QB 1 89 VAL H 7.000 . 7.000 6.755 6.205 7.206 0.206 2 0 "[ . 1 . 2 . 3]" 1
939 1 82 LEU QD 1 83 ARG H 7.000 . 7.000 4.114 3.801 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 82 LEU QD 1 85 THR MG 3.500 . 3.500 3.548 3.475 3.628 0.128 26 0 "[ . 1 . 2 . 3]" 1
941 1 82 LEU QD 1 91 LEU QB 3.500 . 3.500 3.578 3.021 3.737 0.237 25 0 "[ . 1 . 2 . 3]" 1
942 1 83 ARG H 1 83 ARG QB 2.800 . 2.800 2.299 2.125 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 83 ARG H 1 84 ASN H 2.800 . 2.800 2.302 2.029 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 83 ARG H 1 85 THR MG 7.000 . 7.000 5.129 4.389 6.029 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 83 ARG HA 1 83 ARG QB 2.800 . 2.800 2.373 2.173 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 83 ARG HA 1 83 ARG QG 3.500 . 3.500 2.585 2.298 3.530 0.030 19 0 "[ . 1 . 2 . 3]" 1
947 1 83 ARG HA 1 84 ASN H 5.000 . 5.000 3.461 3.250 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 83 ARG QB 1 83 ARG QD 3.500 . 3.500 2.184 2.003 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 83 ARG QB 1 84 ASN H 3.500 . 3.500 2.731 2.279 3.577 0.077 19 0 "[ . 1 . 2 . 3]" 1
950 1 83 ARG QB 1 84 ASN HA 7.000 . 7.000 4.164 3.605 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 84 ASN H 1 84 ASN QB 2.800 . 2.800 2.313 2.212 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 84 ASN H 1 84 ASN QD 5.000 . 5.000 4.043 2.605 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 84 ASN H 1 85 THR H 3.500 . 3.500 2.577 2.129 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 84 ASN HA 1 85 THR H 3.500 . 3.500 3.486 3.358 3.528 0.028 20 0 "[ . 1 . 2 . 3]" 1
955 1 84 ASN QB 1 85 THR H 5.000 . 5.000 2.771 2.419 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 84 ASN QB 1 85 THR MG 7.000 . 7.000 3.535 3.129 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 84 ASN QD 1 85 THR MG 7.000 . 7.000 4.737 2.457 6.699 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 85 THR H 1 85 THR MG 3.500 . 3.500 2.536 2.211 3.618 0.118 21 0 "[ . 1 . 2 . 3]" 1
959 1 85 THR H 1 86 GLY H 7.000 . 7.000 3.802 2.564 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 85 THR HA 1 85 THR HB 2.800 . 2.800 2.605 2.515 2.963 0.163 21 0 "[ . 1 . 2 . 3]" 1
961 1 85 THR HA 1 85 THR MG 3.500 . 3.500 2.269 2.195 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 85 THR HA 1 86 GLY H 5.000 . 5.000 2.932 2.260 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 85 THR HB 1 86 GLY H 3.500 . 3.500 2.772 1.954 3.506 0.006 22 0 "[ . 1 . 2 . 3]" 1
964 1 85 THR HB 1 89 VAL QG 2.800 . 2.800 2.340 1.918 2.832 0.032 10 0 "[ . 1 . 2 . 3]" 1
965 1 86 GLY QA 1 87 GLN H 5.000 . 5.000 2.114 2.032 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 86 GLY QA 1 88 VAL H 5.000 . 5.000 3.677 3.285 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 87 GLN H 1 87 GLN QB 3.500 . 3.500 2.335 2.195 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 87 GLN H 1 88 VAL H 3.500 . 3.500 2.485 2.192 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 87 GLN HA 1 87 GLN QB 2.800 . 2.800 2.325 2.171 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 87 GLN HA 1 87 GLN QG 3.500 . 3.500 2.678 2.420 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 87 GLN HA 1 88 VAL H 5.000 . 5.000 3.539 3.445 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 87 GLN QB 1 88 VAL H 3.500 . 3.500 2.670 2.192 3.546 0.046 18 0 "[ . 1 . 2 . 3]" 1
973 1 87 GLN QB 1 88 VAL QG 3.500 . 3.500 2.911 2.344 3.511 0.011 10 0 "[ . 1 . 2 . 3]" 1
974 1 87 GLN QG 1 88 VAL H 5.000 . 5.000 3.349 1.884 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 87 GLN QG 1 88 VAL QG 3.500 . 3.500 2.722 1.507 3.622 0.122 30 0 "[ . 1 . 2 . 3]" 1
976 1 88 VAL H 1 88 VAL HB 3.500 . 3.500 2.698 2.491 3.658 0.158 27 0 "[ . 1 . 2 . 3]" 1
977 1 88 VAL H 1 88 VAL QG 3.500 . 3.500 2.452 1.982 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 88 VAL H 1 89 VAL H 7.000 . 7.000 4.246 4.093 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 88 VAL HA 1 88 VAL QG 2.800 . 2.800 2.143 2.093 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 88 VAL HA 1 89 VAL H 2.800 . 2.800 2.091 1.982 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 88 VAL HB 1 89 VAL H 7.000 . 7.000 4.183 3.304 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 88 VAL QG 1 89 VAL H 3.500 . 3.500 2.801 2.157 3.527 0.027 27 0 "[ . 1 . 2 . 3]" 1
983 1 88 VAL QG 1 90 HIS H 5.000 . 5.000 4.303 3.955 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 88 VAL QG 1 90 HIS QB 5.000 . 5.000 4.649 3.760 5.028 0.028 3 0 "[ . 1 . 2 . 3]" 1
985 1 89 VAL H 1 89 VAL HB 3.500 . 3.500 2.707 2.477 3.548 0.048 5 0 "[ . 1 . 2 . 3]" 1
986 1 89 VAL H 1 89 VAL QG 2.800 . 2.800 2.257 1.687 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 89 VAL HA 1 89 VAL QG 2.800 . 2.800 2.143 2.128 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 89 VAL HA 1 90 HIS H 2.800 . 2.800 2.102 2.008 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 89 VAL HA 1 91 LEU H 7.000 . 7.000 5.535 4.307 5.945 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 89 VAL HB 1 90 HIS H 5.000 . 5.000 3.857 3.115 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 89 VAL HB 1 91 LEU H 5.000 . 5.000 4.778 3.486 5.122 0.122 19 0 "[ . 1 . 2 . 3]" 1
992 1 89 VAL QG 1 90 HIS H 3.500 . 3.500 2.604 2.119 3.506 0.006 2 0 "[ . 1 . 2 . 3]" 1
993 1 90 HIS H 1 90 HIS QB 3.500 . 3.500 2.440 2.305 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 90 HIS H 1 91 LEU H 5.000 . 5.000 4.172 3.331 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 90 HIS HA 1 91 LEU H 5.000 . 5.000 2.206 2.075 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 90 HIS QB 1 91 LEU H 5.000 . 5.000 3.407 2.849 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 91 LEU H 1 91 LEU HA 2.800 . 2.800 2.868 2.730 2.903 0.103 28 0 "[ . 1 . 2 . 3]" 1
998 1 91 LEU H 1 91 LEU QB 3.500 . 3.500 2.575 1.912 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 91 LEU H 1 91 LEU HG 3.500 . 3.500 4.336 3.249 4.746 1.246 13 28 "[******** *-*+******** ********]" 1
1000 1 91 LEU H 1 92 LEU H 7.000 . 7.000 4.372 4.267 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 91 LEU HA 1 91 LEU QD 3.500 . 3.500 2.549 1.893 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 91 LEU HA 1 91 LEU HG 3.500 . 3.500 2.628 2.443 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 91 LEU HA 1 92 LEU H 2.800 . 2.800 2.261 2.174 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 91 LEU QB 1 92 LEU H 7.000 . 7.000 3.003 2.403 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 91 LEU QB 1 93 LEU QB 7.000 . 7.000 4.398 3.743 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 91 LEU QB 1 93 LEU QD 3.500 . 3.500 1.988 1.868 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 91 LEU QD 1 92 LEU H 5.000 . 5.000 3.477 1.902 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 91 LEU QD 1 93 LEU H 7.000 . 7.000 5.380 3.958 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 92 LEU H 1 92 LEU QB 2.800 . 2.800 2.354 2.275 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 92 LEU H 1 92 LEU QD 5.000 . 5.000 3.824 3.724 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 92 LEU H 1 93 LEU H 5.000 . 5.000 4.234 4.101 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 92 LEU H 1 93 LEU QD 5.000 . 5.000 3.202 2.964 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 92 LEU HA 1 92 LEU QD 3.500 . 3.500 2.331 1.993 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 92 LEU HA 1 93 LEU QD 5.000 . 5.000 3.511 3.043 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 92 LEU QB 1 92 LEU QD 2.800 . 2.800 1.989 1.944 2.089 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 92 LEU QB 1 92 LEU HG 2.800 . 2.800 2.294 2.160 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 92 LEU QB 1 93 LEU H 5.000 . 5.000 3.851 3.759 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 92 LEU QD 1 93 LEU H 3.500 . 3.500 2.507 2.352 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 92 LEU HG 1 93 LEU H 3.500 . 3.500 4.200 3.418 5.053 1.553 30 22 "[* **.**-******. ***** * * * *+]" 1
1020 1 93 LEU H 1 93 LEU QB 3.500 . 3.500 2.502 2.344 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 93 LEU H 1 93 LEU QD 3.500 . 3.500 2.895 2.597 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 93 LEU H 1 93 LEU HG 3.500 . 3.500 4.338 4.030 4.637 1.137 9 30 [********+********-************] 1
1023 1 93 LEU HA 1 93 LEU QD 3.500 . 3.500 2.653 2.238 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 93 LEU HA 1 93 LEU HG 3.500 . 3.500 2.470 2.383 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 93 LEU HA 1 94 GLU H 2.800 . 2.800 2.323 2.050 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 93 LEU QB 1 93 LEU QD 2.800 . 2.800 1.922 1.886 1.961 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 93 LEU QB 1 94 GLU H 3.500 . 3.500 2.202 1.930 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 93 LEU QD 1 94 GLU H 3.500 . 3.500 3.515 3.406 3.646 0.146 22 0 "[ . 1 . 2 . 3]" 1
1029 1 93 LEU QD 1 95 LYS H 7.000 . 7.000 5.453 4.856 6.116 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 93 LEU HG 1 94 GLU H 7.000 . 7.000 3.408 2.966 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 94 GLU H 1 94 GLU QB 3.500 . 3.500 2.562 2.341 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 94 GLU HA 1 94 GLU QG 3.500 . 3.500 2.525 2.369 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 94 GLU HA 1 95 LYS H 2.800 . 2.800 2.178 2.077 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 94 GLU QB 1 95 LYS H 5.000 . 5.000 3.603 2.530 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 95 LYS H 1 95 LYS QB 3.500 . 3.500 2.242 2.004 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 95 LYS H 1 95 LYS QG 5.000 . 5.000 3.676 2.279 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 95 LYS HA 1 95 LYS QD 3.500 . 3.500 2.359 1.650 3.597 0.097 20 0 "[ . 1 . 2 . 3]" 1
1038 1 95 LYS HA 1 96 GLY H 2.800 . 2.800 2.070 1.926 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 95 LYS QD 1 96 GLY H 5.000 . 5.000 3.034 2.053 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 95 LYS QE 1 95 LYS QG 3.500 . 3.500 2.334 2.109 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 95 LYS QE 1 96 GLY H 7.000 . 7.000 3.975 1.873 5.774 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 95 LYS QG 1 96 GLY H 5.000 . 5.000 3.557 2.558 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 96 GLY H 1 97 GLN H 7.000 . 7.000 3.451 1.791 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 96 GLY QA 1 97 GLN H 3.500 . 3.500 2.450 2.058 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 97 GLN H 1 97 GLN HA 2.800 . 2.800 2.817 2.644 2.889 0.089 5 0 "[ . 1 . 2 . 3]" 1
1046 1 97 GLN H 1 97 GLN QB 3.500 . 3.500 2.600 1.992 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 97 GLN H 1 97 GLN QG 3.500 . 3.500 2.665 1.671 3.717 0.217 6 0 "[ . 1 . 2 . 3]" 1
1048 1 97 GLN HA 1 97 GLN QB 2.800 . 2.800 2.321 2.145 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 97 GLN HA 1 98 VAL H 2.800 . 2.800 2.686 1.958 3.547 0.747 15 7 "[ * .* **1 + 2 * -]" 1
1050 1 97 GLN QB 1 98 VAL H 3.500 . 3.500 2.707 1.840 3.635 0.135 29 0 "[ . 1 . 2 . 3]" 1
1051 1 98 VAL H 1 98 VAL HA 2.800 . 2.800 2.779 2.188 2.901 0.101 13 0 "[ . 1 . 2 . 3]" 1
1052 1 98 VAL HA 1 99 PRO QD 3.500 . 3.500 2.016 1.671 3.543 0.043 10 0 "[ . 1 . 2 . 3]" 1
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