NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470738 |
1aou   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1aou
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 1166
_Distance_constraint_stats_list.Viol_count 4480
_Distance_constraint_stats_list.Viol_total 6599.713
_Distance_constraint_stats_list.Viol_max 0.839
_Distance_constraint_stats_list.Viol_rms 0.0355
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0670
_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 2 ILE 1.238 0.080 19 0 "[ . 1 . 2 ]"
1 3 GLN 0.868 0.080 10 0 "[ . 1 . 2 ]"
1 4 ALA 3.974 0.211 6 0 "[ . 1 . 2 ]"
1 5 GLU 2.602 0.399 2 0 "[ . 1 . 2 ]"
1 6 GLU 1.859 0.399 2 0 "[ . 1 . 2 ]"
1 7 TRP 5.857 0.181 15 0 "[ . 1 . 2 ]"
1 8 TYR 10.128 0.240 22 0 "[ . 1 . 2 ]"
1 9 PHE 4.954 0.123 9 0 "[ . 1 . 2 ]"
1 10 GLY 3.420 0.131 4 0 "[ . 1 . 2 ]"
1 11 LYS 3.405 0.131 4 0 "[ . 1 . 2 ]"
1 12 LEU 5.684 0.292 14 0 "[ . 1 . 2 ]"
1 13 GLY 1.420 0.292 14 0 "[ . 1 . 2 ]"
1 14 ARG 2.693 0.285 7 0 "[ . 1 . 2 ]"
1 15 LYS 10.806 0.192 10 0 "[ . 1 . 2 ]"
1 16 ASP 14.922 0.209 17 0 "[ . 1 . 2 ]"
1 17 ALA 4.982 0.115 7 0 "[ . 1 . 2 ]"
1 18 GLU 1.471 0.081 18 0 "[ . 1 . 2 ]"
1 19 ARG 0.991 0.081 18 0 "[ . 1 . 2 ]"
1 20 GLN 1.845 0.090 16 0 "[ . 1 . 2 ]"
1 21 LEU 1.652 0.081 17 0 "[ . 1 . 2 ]"
1 22 LEU 1.762 0.081 17 0 "[ . 1 . 2 ]"
1 23 SER 0.076 0.039 19 0 "[ . 1 . 2 ]"
1 24 PHE 0.296 0.059 16 0 "[ . 1 . 2 ]"
1 25 GLY 0.642 0.059 16 0 "[ . 1 . 2 ]"
1 26 ASN 0.478 0.055 14 0 "[ . 1 . 2 ]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ARG 0.125 0.033 13 0 "[ . 1 . 2 ]"
1 29 GLY 0.567 0.049 13 0 "[ . 1 . 2 ]"
1 30 THR 1.254 0.080 17 0 "[ . 1 . 2 ]"
1 31 PHE 0.398 0.054 11 0 "[ . 1 . 2 ]"
1 32 LEU 0.594 0.066 10 0 "[ . 1 . 2 ]"
1 33 ILE 1.342 0.090 20 0 "[ . 1 . 2 ]"
1 34 ARG 3.535 0.240 22 0 "[ . 1 . 2 ]"
1 35 GLU 6.300 0.202 18 0 "[ . 1 . 2 ]"
1 36 SER 8.665 0.147 19 0 "[ . 1 . 2 ]"
1 37 GLU 5.047 0.197 20 0 "[ . 1 . 2 ]"
1 38 THR 6.485 0.126 17 0 "[ . 1 . 2 ]"
1 39 THR 11.725 0.197 20 0 "[ . 1 . 2 ]"
1 40 LYS 5.271 0.116 3 0 "[ . 1 . 2 ]"
1 41 GLY 4.941 0.126 17 0 "[ . 1 . 2 ]"
1 42 ALA 7.802 0.211 6 0 "[ . 1 . 2 ]"
1 43 TYR 11.325 0.211 6 0 "[ . 1 . 2 ]"
1 44 SER 0.958 0.077 8 0 "[ . 1 . 2 ]"
1 45 LEU 2.477 0.196 3 0 "[ . 1 . 2 ]"
1 46 SER 4.727 0.455 3 0 "[ . 1 . 2 ]"
1 47 ILE 5.387 0.265 3 0 "[ . 1 . 2 ]"
1 48 ARG 1.078 0.102 17 0 "[ . 1 . 2 ]"
1 49 ASP 1.014 0.090 17 0 "[ . 1 . 2 ]"
1 50 TRP 11.804 0.241 10 0 "[ . 1 . 2 ]"
1 51 ASP 2.005 0.109 14 0 "[ . 1 . 2 ]"
1 52 ASP 0.235 0.037 19 0 "[ . 1 . 2 ]"
1 53 MET 6.205 0.234 14 0 "[ . 1 . 2 ]"
1 54 LYS 5.114 0.252 9 0 "[ . 1 . 2 ]"
1 55 GLY 11.899 0.255 22 0 "[ . 1 . 2 ]"
1 56 ASP 7.858 0.275 6 0 "[ . 1 . 2 ]"
1 57 HIS 2.273 0.275 6 0 "[ . 1 . 2 ]"
1 58 VAL 3.550 0.455 3 0 "[ . 1 . 2 ]"
1 59 LYS 1.335 0.104 17 0 "[ . 1 . 2 ]"
1 60 HIS 3.586 0.129 20 0 "[ . 1 . 2 ]"
1 61 TYR 8.936 0.265 3 0 "[ . 1 . 2 ]"
1 62 LYS 1.376 0.119 11 0 "[ . 1 . 2 ]"
1 63 ILE 5.079 0.201 15 0 "[ . 1 . 2 ]"
1 64 ARG 2.993 0.197 18 0 "[ . 1 . 2 ]"
1 65 LYS 4.505 0.197 18 0 "[ . 1 . 2 ]"
1 66 LEU 8.732 0.290 9 0 "[ . 1 . 2 ]"
1 67 ASP 5.215 0.182 21 0 "[ . 1 . 2 ]"
1 68 ASN 6.459 0.290 9 0 "[ . 1 . 2 ]"
1 69 GLY 7.311 0.182 21 0 "[ . 1 . 2 ]"
1 70 GLY 4.475 0.257 10 0 "[ . 1 . 2 ]"
1 71 TYR 13.138 0.201 6 0 "[ . 1 . 2 ]"
1 72 TYR 14.734 0.232 4 0 "[ . 1 . 2 ]"
1 73 ILE 5.591 0.239 9 0 "[ . 1 . 2 ]"
1 74 THR 5.575 0.175 5 0 "[ . 1 . 2 ]"
1 75 THR 7.727 0.175 5 0 "[ . 1 . 2 ]"
1 76 ARG 0.333 0.039 13 0 "[ . 1 . 2 ]"
1 77 ALA 4.215 0.115 13 0 "[ . 1 . 2 ]"
1 78 GLN 5.514 0.232 4 0 "[ . 1 . 2 ]"
1 79 PHE 8.857 0.272 10 0 "[ . 1 . 2 ]"
1 80 GLU 7.892 0.188 13 0 "[ . 1 . 2 ]"
1 81 THR 15.893 0.266 17 0 "[ . 1 . 2 ]"
1 82 LEU 9.752 0.201 6 0 "[ . 1 . 2 ]"
1 83 GLN 1.962 0.104 7 0 "[ . 1 . 2 ]"
1 84 GLN 7.626 0.218 15 0 "[ . 1 . 2 ]"
1 85 LEU 23.803 0.293 13 0 "[ . 1 . 2 ]"
1 86 VAL 5.094 0.191 5 0 "[ . 1 . 2 ]"
1 87 GLN 15.967 0.293 13 0 "[ . 1 . 2 ]"
1 88 HIS 23.652 0.236 15 0 "[ . 1 . 2 ]"
1 89 TYR 17.132 0.212 6 0 "[ . 1 . 2 ]"
1 90 SER 6.564 0.225 5 0 "[ . 1 . 2 ]"
1 91 GLU 1.991 0.839 14 1 "[ . 1 +. 2 ]"
1 92 ARG 4.649 0.839 14 1 "[ . 1 +. 2 ]"
1 93 ALA 2.709 0.196 5 0 "[ . 1 . 2 ]"
1 94 ALA 2.452 0.125 7 0 "[ . 1 . 2 ]"
1 95 GLY 1.848 0.122 14 0 "[ . 1 . 2 ]"
1 96 LEU 3.374 0.257 8 0 "[ . 1 . 2 ]"
1 97 SER 2.231 0.108 3 0 "[ . 1 . 2 ]"
1 98 SER 2.703 0.257 8 0 "[ . 1 . 2 ]"
1 99 ARG 1.057 0.196 5 0 "[ . 1 . 2 ]"
1 100 LEU 3.689 0.188 20 0 "[ . 1 . 2 ]"
1 101 VAL 2.860 0.214 18 0 "[ . 1 . 2 ]"
1 102 VAL 0.656 0.214 18 0 "[ . 1 . 2 ]"
1 103 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 104 SER 2.394 0.488 3 0 "[ . 1 . 2 ]"
1 105 HIS 1.001 0.099 19 0 "[ . 1 . 2 ]"
1 106 LYS 1.732 0.116 6 0 "[ . 1 . 2 ]"
2 2 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 3 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 5 GLU 0.026 0.010 2 0 "[ . 1 . 2 ]"
2 6 GLU 0.031 0.010 2 0 "[ . 1 . 2 ]"
2 7 ILE 0.392 0.060 7 0 "[ . 1 . 2 ]"
2 8 PRO 0.055 0.029 9 0 "[ . 1 . 2 ]"
2 9 ILE 0.776 0.069 9 0 "[ . 1 . 2 ]"
2 10 TYR 1.793 0.083 16 0 "[ . 1 . 2 ]"
2 11 LEU 0.208 0.023 10 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 2 PRO HA 2 3 GLN H 0.000 . 2.700 2.403 2.218 2.674 . 0 0 "[ . 1 . 2 ]" 1
2 2 3 GLN H 2 3 GLN QG 0.000 . 5.000 3.305 1.938 4.339 . 0 0 "[ . 1 . 2 ]" 1
3 2 3 GLN HA 2 3 GLN HE21 0.000 . 5.000 4.169 2.553 5.000 . 0 0 "[ . 1 . 2 ]" 1
4 2 5 GLU H 2 5 GLU QB 0.000 . 3.500 2.404 2.165 2.735 . 0 0 "[ . 1 . 2 ]" 1
5 2 5 GLU H 2 5 GLU QG 0.000 . 3.500 2.547 1.874 3.504 0.004 3 0 "[ . 1 . 2 ]" 1
6 2 5 GLU HA 2 5 GLU QG 0.000 . 3.500 2.398 1.964 3.317 . 0 0 "[ . 1 . 2 ]" 1
7 2 5 GLU HA 2 6 GLU H 0.000 . 2.700 2.279 2.188 2.638 . 0 0 "[ . 1 . 2 ]" 1
8 2 5 GLU HA 2 6 GLU QB 0.000 . 5.000 4.367 3.878 4.704 . 0 0 "[ . 1 . 2 ]" 1
9 2 5 GLU HA 2 6 GLU QG 0.000 . 5.000 3.919 3.038 4.960 . 0 0 "[ . 1 . 2 ]" 1
10 2 5 GLU QB 2 6 GLU H 0.000 . 3.500 3.087 2.143 3.510 0.010 2 0 "[ . 1 . 2 ]" 1
11 2 5 GLU QG 2 6 GLU H 0.000 . 5.000 4.166 3.597 4.573 . 0 0 "[ . 1 . 2 ]" 1
12 1 61 TYR HA 2 5 GLU H 0.000 . 5.000 3.653 2.600 4.433 . 0 0 "[ . 1 . 2 ]" 1
13 1 60 HIS H 2 5 GLU QB 0.000 . 5.000 4.473 3.588 4.961 . 0 0 "[ . 1 . 2 ]" 1
14 1 60 HIS H 2 5 GLU QG 0.000 . 5.000 4.032 3.350 4.920 . 0 0 "[ . 1 . 2 ]" 1
15 1 61 TYR QE 2 5 GLU QB 0.000 . 5.000 2.548 1.876 3.641 . 0 0 "[ . 1 . 2 ]" 1
16 1 61 TYR QE 2 5 GLU QG 0.000 . 5.000 3.954 2.301 4.797 . 0 0 "[ . 1 . 2 ]" 1
17 2 6 GLU H 2 6 GLU QB 0.000 . 3.500 2.658 2.228 3.357 . 0 0 "[ . 1 . 2 ]" 1
18 2 6 GLU H 2 6 GLU QG 0.000 . 5.000 2.772 1.919 3.955 . 0 0 "[ . 1 . 2 ]" 1
19 2 6 GLU HA 2 7 ILE H 0.000 . 2.700 2.265 2.186 2.582 . 0 0 "[ . 1 . 2 ]" 1
20 2 6 GLU QB 2 7 ILE H 0.000 . 3.500 3.090 2.150 3.509 0.009 6 0 "[ . 1 . 2 ]" 1
21 2 6 GLU QG 2 7 ILE H 0.000 . 5.000 4.019 3.093 4.673 . 0 0 "[ . 1 . 2 ]" 1
22 2 7 ILE HA 2 7 ILE QG 0.000 . 3.500 2.218 1.978 3.442 . 0 0 "[ . 1 . 2 ]" 1
23 2 7 ILE H 2 7 ILE QG 0.000 . 5.000 3.149 2.439 3.596 . 0 0 "[ . 1 . 2 ]" 1
24 1 73 ILE MG 2 7 ILE H 0.000 . 5.000 4.411 2.760 5.018 0.018 5 0 "[ . 1 . 2 ]" 1
25 1 61 TYR QE 2 7 ILE QG 0.000 . 5.000 3.990 2.978 5.005 0.005 11 0 "[ . 1 . 2 ]" 1
26 1 74 THR MG 2 7 ILE QG 0.000 . 5.000 2.610 1.906 3.614 . 0 0 "[ . 1 . 2 ]" 1
27 1 95 GLY H 2 7 ILE QG 0.000 . 5.000 4.262 3.557 5.005 0.005 17 0 "[ . 1 . 2 ]" 1
28 1 95 GLY HA3 2 7 ILE QG 0.000 . 3.500 2.360 1.867 2.989 . 0 0 "[ . 1 . 2 ]" 1
29 1 95 GLY HA2 2 7 ILE QG 0.000 . 3.500 3.448 3.138 3.560 0.060 7 0 "[ . 1 . 2 ]" 1
30 1 61 TYR QD 2 7 ILE MD 0.000 . 3.500 3.246 2.373 3.544 0.044 2 0 "[ . 1 . 2 ]" 1
31 1 73 ILE MG 2 7 ILE MD 0.000 . 5.000 2.921 1.676 3.957 . 0 0 "[ . 1 . 2 ]" 1
32 1 74 THR MG 2 7 ILE MD 0.000 . 3.500 1.757 1.590 2.119 . 0 0 "[ . 1 . 2 ]" 1
33 1 96 LEU QD 2 7 ILE MD 0.000 . 3.500 2.974 1.700 3.427 . 0 0 "[ . 1 . 2 ]" 1
34 1 96 LEU H 2 7 ILE MD 0.000 . 5.000 3.238 2.557 3.821 . 0 0 "[ . 1 . 2 ]" 1
35 1 97 SER H 2 7 ILE MD 0.000 . 5.000 4.515 3.854 4.978 . 0 0 "[ . 1 . 2 ]" 1
36 2 8 PRO HA 2 9 ILE H 0.000 . 2.700 2.521 2.220 2.729 0.029 9 0 "[ . 1 . 2 ]" 1
37 2 9 ILE H 2 9 ILE HB 0.000 . 3.500 3.210 2.772 3.509 0.009 22 0 "[ . 1 . 2 ]" 1
38 2 9 ILE HA 2 10 TYR H 0.000 . 3.500 3.270 2.875 3.543 0.043 18 0 "[ . 1 . 2 ]" 1
39 2 9 ILE HB 2 10 TYR H 0.000 . 5.000 3.846 2.552 4.612 . 0 0 "[ . 1 . 2 ]" 1
40 2 9 ILE H 2 10 TYR H 0.000 . 3.500 1.876 1.857 1.986 . 0 0 "[ . 1 . 2 ]" 1
41 2 9 ILE H 2 10 TYR HB3 0.000 . 5.000 4.830 4.181 5.041 0.041 16 0 "[ . 1 . 2 ]" 1
42 2 9 ILE H 2 10 TYR HB2 0.000 . 5.000 4.306 3.484 5.069 0.069 9 0 "[ . 1 . 2 ]" 1
43 2 10 TYR H 2 10 TYR HB3 0.000 . 3.500 3.401 2.836 3.583 0.083 16 0 "[ . 1 . 2 ]" 1
44 2 10 TYR H 2 10 TYR HB2 0.000 . 3.500 2.795 2.128 3.566 0.066 20 0 "[ . 1 . 2 ]" 1
45 2 10 TYR H 2 10 TYR QD 0.000 . 3.500 2.754 2.621 2.869 . 0 0 "[ . 1 . 2 ]" 1
46 2 10 TYR H 2 10 TYR QE 0.000 . 5.000 4.293 3.702 5.011 0.011 19 0 "[ . 1 . 2 ]" 1
47 2 10 TYR HB3 2 10 TYR QD 0.000 . 2.700 2.436 2.302 2.703 0.003 16 0 "[ . 1 . 2 ]" 1
48 2 10 TYR HB2 2 10 TYR QD 0.000 . 2.700 2.462 2.303 2.675 . 0 0 "[ . 1 . 2 ]" 1
49 2 10 TYR HB3 2 10 TYR QE 0.000 . 5.000 4.452 4.416 4.519 . 0 0 "[ . 1 . 2 ]" 1
50 2 10 TYR HB2 2 10 TYR QE 0.000 . 5.000 4.460 4.417 4.516 . 0 0 "[ . 1 . 2 ]" 1
51 2 10 TYR HA 2 11 LEU H 0.000 . 2.700 2.642 2.359 2.723 0.023 10 0 "[ . 1 . 2 ]" 1
52 2 10 TYR HB3 2 11 LEU H 0.000 . 3.500 2.553 1.955 3.494 . 0 0 "[ . 1 . 2 ]" 1
53 2 10 TYR HB2 2 11 LEU H 0.000 . 3.500 2.930 1.976 3.514 0.014 3 0 "[ . 1 . 2 ]" 1
54 2 10 TYR QD 2 11 LEU H 0.000 . 5.000 3.478 2.541 4.402 . 0 0 "[ . 1 . 2 ]" 1
55 2 11 LEU H 2 11 LEU QD 0.000 . 5.000 3.249 1.860 3.906 . 0 0 "[ . 1 . 2 ]" 1
56 1 3 GLN H 1 3 GLN QG 0.000 . 5.000 3.537 1.883 4.102 . 0 0 "[ . 1 . 2 ]" 1
57 1 3 GLN H 1 3 GLN QB 0.000 . 3.500 2.250 2.077 2.746 . 0 0 "[ . 1 . 2 ]" 1
58 1 4 ALA H 1 4 ALA MB 0.000 . 2.700 2.678 2.154 2.911 0.211 6 0 "[ . 1 . 2 ]" 1
59 1 5 GLU H 1 5 GLU QG 0.000 . 3.500 2.941 2.223 3.697 0.197 2 0 "[ . 1 . 2 ]" 1
60 1 5 GLU H 1 5 GLU QB 0.000 . 3.500 3.197 2.120 3.520 0.020 9 0 "[ . 1 . 2 ]" 1
61 1 6 GLU H 1 6 GLU QG 0.000 . 3.500 2.808 2.099 3.471 . 0 0 "[ . 1 . 2 ]" 1
62 1 6 GLU H 1 6 GLU QB 0.000 . 3.500 2.734 2.127 3.491 . 0 0 "[ . 1 . 2 ]" 1
63 1 7 TRP H 1 7 TRP HE1 0.000 . 5.000 4.227 3.917 4.960 . 0 0 "[ . 1 . 2 ]" 1
64 1 7 TRP H 1 7 TRP HD1 0.000 . 3.500 3.007 2.659 3.617 0.117 7 0 "[ . 1 . 2 ]" 1
65 1 8 TYR H 1 8 TYR HB3 0.000 . 3.500 2.730 2.422 2.878 . 0 0 "[ . 1 . 2 ]" 1
66 1 8 TYR H 1 8 TYR QD 0.000 . 5.000 3.888 3.366 4.320 . 0 0 "[ . 1 . 2 ]" 1
67 1 8 TYR H 1 8 TYR HB2 0.000 . 3.500 3.601 3.520 3.654 0.154 20 0 "[ . 1 . 2 ]" 1
68 1 9 PHE H 1 9 PHE QD 0.000 . 3.500 2.688 2.221 2.997 . 0 0 "[ . 1 . 2 ]" 1
69 1 11 LYS H 1 11 LYS QB 0.000 . 3.500 2.722 2.595 3.048 . 0 0 "[ . 1 . 2 ]" 1
70 1 11 LYS H 1 11 LYS QG 0.000 . 2.700 2.272 1.971 2.545 . 0 0 "[ . 1 . 2 ]" 1
71 1 12 LEU HA 1 12 LEU QD 0.000 . 3.500 2.311 1.736 3.250 . 0 0 "[ . 1 . 2 ]" 1
72 1 12 LEU H 1 12 LEU QB 0.000 . 3.500 2.399 2.172 2.459 . 0 0 "[ . 1 . 2 ]" 1
73 1 12 LEU H 1 12 LEU QD 0.000 . 5.000 3.113 1.926 3.788 . 0 0 "[ . 1 . 2 ]" 1
74 1 12 LEU H 1 12 LEU HG 0.000 . 5.000 4.385 3.950 4.557 . 0 0 "[ . 1 . 2 ]" 1
75 1 14 ARG H 1 14 ARG QG 0.000 . 3.500 2.205 1.803 3.785 0.285 7 0 "[ . 1 . 2 ]" 1
76 1 14 ARG H 1 14 ARG QB 0.000 . 3.500 2.603 2.122 2.835 . 0 0 "[ . 1 . 2 ]" 1
77 1 14 ARG H 1 14 ARG QD 0.000 . 5.000 3.341 1.755 4.318 . 0 0 "[ . 1 . 2 ]" 1
78 1 15 LYS H 1 15 LYS HA 0.000 . 2.700 2.875 2.858 2.892 0.192 10 0 "[ . 1 . 2 ]" 1
79 1 15 LYS H 1 15 LYS QB 0.000 . 2.700 2.252 2.114 2.466 . 0 0 "[ . 1 . 2 ]" 1
80 1 16 ASP H 1 16 ASP HA 0.000 . 2.700 2.868 2.853 2.888 0.188 2 0 "[ . 1 . 2 ]" 1
81 1 16 ASP H 1 16 ASP HB2 0.000 . 2.700 2.254 2.080 2.428 . 0 0 "[ . 1 . 2 ]" 1
82 1 16 ASP H 1 16 ASP HB3 0.000 . 2.700 2.795 2.708 2.909 0.209 17 0 "[ . 1 . 2 ]" 1
83 1 17 ALA H 1 17 ALA MB 0.000 . 2.700 2.226 2.125 2.274 . 0 0 "[ . 1 . 2 ]" 1
84 1 18 GLU H 1 18 GLU HG2 0.000 . 3.500 2.321 1.863 3.219 . 0 0 "[ . 1 . 2 ]" 1
85 1 18 GLU H 1 18 GLU HG3 0.000 . 3.500 2.551 1.858 3.043 . 0 0 "[ . 1 . 2 ]" 1
86 1 18 GLU H 1 18 GLU QB 0.000 . 3.500 2.623 2.438 2.862 . 0 0 "[ . 1 . 2 ]" 1
87 1 19 ARG H 1 19 ARG QB 0.000 . 3.500 2.156 2.060 2.364 . 0 0 "[ . 1 . 2 ]" 1
88 1 19 ARG H 1 19 ARG QG 0.000 . 5.000 3.609 2.386 4.119 . 0 0 "[ . 1 . 2 ]" 1
89 1 19 ARG H 1 19 ARG QD 0.000 . 5.000 4.319 3.246 4.815 . 0 0 "[ . 1 . 2 ]" 1
90 1 19 ARG HA 1 19 ARG QD 0.000 . 3.500 3.016 2.093 3.484 . 0 0 "[ . 1 . 2 ]" 1
91 1 20 GLN H 1 20 GLN QB 0.000 . 3.500 2.211 2.093 2.490 . 0 0 "[ . 1 . 2 ]" 1
92 1 20 GLN H 1 20 GLN QG 0.000 . 5.000 3.218 2.256 4.113 . 0 0 "[ . 1 . 2 ]" 1
93 1 21 LEU H 1 21 LEU QD 0.000 . 2.700 2.401 1.901 2.737 0.037 17 0 "[ . 1 . 2 ]" 1
94 1 22 LEU H 1 22 LEU HG 0.000 . 2.700 2.224 1.929 2.739 0.039 7 0 "[ . 1 . 2 ]" 1
95 1 22 LEU H 1 22 LEU QD 0.000 . 2.700 2.660 2.627 2.694 . 0 0 "[ . 1 . 2 ]" 1
96 1 23 SER H 1 23 SER QB 0.000 . 2.700 2.358 2.073 2.739 0.039 19 0 "[ . 1 . 2 ]" 1
97 1 26 ASN H 1 26 ASN QB 0.000 . 3.500 2.697 2.150 3.502 0.002 14 0 "[ . 1 . 2 ]" 1
98 1 28 ARG H 1 28 ARG QB 0.000 . 2.700 2.450 2.187 2.710 0.010 10 0 "[ . 1 . 2 ]" 1
99 1 30 THR H 1 30 THR HG1 0.000 . 3.500 2.602 2.216 3.043 . 0 0 "[ . 1 . 2 ]" 1
100 1 30 THR HG1 1 30 THR MG 0.000 . 2.700 2.481 2.187 2.627 . 0 0 "[ . 1 . 2 ]" 1
101 1 31 PHE H 1 31 PHE QD 0.000 . 5.000 2.418 1.814 3.054 . 0 0 "[ . 1 . 2 ]" 1
102 1 32 LEU H 1 32 LEU QB 0.000 . 3.500 2.639 2.111 3.130 . 0 0 "[ . 1 . 2 ]" 1
103 1 32 LEU H 1 32 LEU QD 0.000 . 3.500 2.908 1.732 3.453 . 0 0 "[ . 1 . 2 ]" 1
104 1 33 ILE H 1 33 ILE HB 0.000 . 3.500 2.559 2.417 2.695 . 0 0 "[ . 1 . 2 ]" 1
105 1 33 ILE H 1 33 ILE QG 0.000 . 3.500 3.330 3.123 3.521 0.021 7 0 "[ . 1 . 2 ]" 1
106 1 33 ILE H 1 33 ILE MD 0.000 . 5.000 4.393 4.139 4.563 . 0 0 "[ . 1 . 2 ]" 1
107 1 35 GLU H 1 35 GLU QG 0.000 . 2.700 2.736 2.383 2.843 0.143 18 0 "[ . 1 . 2 ]" 1
108 1 35 GLU H 1 35 GLU HB2 0.000 . 3.500 2.597 2.086 3.601 0.101 15 0 "[ . 1 . 2 ]" 1
109 1 36 SER H 1 36 SER HB2 0.000 . 3.500 2.435 2.291 2.497 . 0 0 "[ . 1 . 2 ]" 1
110 1 36 SER H 1 36 SER HB3 0.000 . 3.500 3.613 3.573 3.638 0.138 15 0 "[ . 1 . 2 ]" 1
111 1 37 GLU H 1 37 GLU QG 0.000 . 5.000 2.743 2.324 3.421 . 0 0 "[ . 1 . 2 ]" 1
112 1 37 GLU H 1 37 GLU QB 0.000 . 3.500 2.397 2.314 2.598 . 0 0 "[ . 1 . 2 ]" 1
113 1 38 THR H 1 38 THR MG 0.000 . 3.500 2.333 2.202 2.422 . 0 0 "[ . 1 . 2 ]" 1
114 1 39 THR H 1 39 THR HB 0.000 . 2.700 2.674 2.287 2.760 0.060 22 0 "[ . 1 . 2 ]" 1
115 1 39 THR H 1 39 THR MG 0.000 . 3.500 2.526 2.285 3.659 0.159 14 0 "[ . 1 . 2 ]" 1
116 1 40 LYS H 1 40 LYS HA 0.000 . 2.700 2.753 2.727 2.763 0.063 18 0 "[ . 1 . 2 ]" 1
117 1 40 LYS H 1 40 LYS QB 0.000 . 2.700 2.785 2.773 2.816 0.116 3 0 "[ . 1 . 2 ]" 1
118 1 40 LYS H 1 40 LYS QG 0.000 . 2.700 1.807 1.790 1.834 . 0 0 "[ . 1 . 2 ]" 1
119 1 41 GLY H 1 41 GLY HA2 0.000 . 2.700 2.733 2.711 2.744 0.044 6 0 "[ . 1 . 2 ]" 1
120 1 42 ALA H 1 42 ALA MB 0.000 . 2.700 2.119 2.054 2.222 . 0 0 "[ . 1 . 2 ]" 1
121 1 43 TYR H 1 43 TYR HB3 0.000 . 3.500 3.376 3.285 3.446 . 0 0 "[ . 1 . 2 ]" 1
122 1 45 LEU H 1 45 LEU QB 0.000 . 3.500 2.675 2.581 2.764 . 0 0 "[ . 1 . 2 ]" 1
123 1 45 LEU H 1 45 LEU HG 0.000 . 5.000 4.455 4.246 4.668 . 0 0 "[ . 1 . 2 ]" 1
124 1 46 SER H 1 46 SER HB3 0.000 . 3.500 3.167 2.366 3.595 0.095 6 0 "[ . 1 . 2 ]" 1
125 1 46 SER H 1 46 SER HB2 0.000 . 3.500 2.928 2.607 3.171 . 0 0 "[ . 1 . 2 ]" 1
126 1 47 ILE H 1 47 ILE MD 0.000 . 5.000 4.132 3.388 4.626 . 0 0 "[ . 1 . 2 ]" 1
127 1 48 ARG H 1 48 ARG QD 0.000 . 5.000 4.436 4.228 4.697 . 0 0 "[ . 1 . 2 ]" 1
128 1 49 ASP H 1 49 ASP HB2 0.000 . 3.500 3.317 2.842 3.506 0.006 12 0 "[ . 1 . 2 ]" 1
129 1 50 TRP HB2 1 50 TRP HD1 0.000 . 3.500 2.583 2.558 2.611 . 0 0 "[ . 1 . 2 ]" 1
130 1 50 TRP HA 1 50 TRP HD1 0.000 . 3.500 3.537 3.433 3.600 0.100 21 0 "[ . 1 . 2 ]" 1
131 1 50 TRP HA 1 50 TRP HE3 0.000 . 5.000 4.259 4.155 4.381 . 0 0 "[ . 1 . 2 ]" 1
132 1 50 TRP H 1 50 TRP HB3 0.000 . 3.500 2.374 2.275 3.068 . 0 0 "[ . 1 . 2 ]" 1
133 1 50 TRP H 1 50 TRP HB2 0.000 . 3.500 3.045 2.755 3.682 0.182 17 0 "[ . 1 . 2 ]" 1
134 1 53 MET H 1 53 MET HA 0.000 . 2.700 2.898 2.884 2.934 0.234 14 0 "[ . 1 . 2 ]" 1
135 1 53 MET H 1 53 MET ME 0.000 . 2.700 2.328 1.932 2.734 0.034 1 0 "[ . 1 . 2 ]" 1
136 1 53 MET HA 1 53 MET ME 0.000 . 5.000 3.618 3.351 4.094 . 0 0 "[ . 1 . 2 ]" 1
137 1 53 MET HB3 1 53 MET ME 0.000 . 5.000 2.896 1.835 4.031 . 0 0 "[ . 1 . 2 ]" 1
138 1 53 MET HB2 1 53 MET ME 0.000 . 5.000 2.935 1.804 3.559 . 0 0 "[ . 1 . 2 ]" 1
139 1 53 MET H 1 53 MET QG 0.000 . 3.500 2.579 2.113 3.479 . 0 0 "[ . 1 . 2 ]" 1
140 1 54 LYS H 1 54 LYS HA 0.000 . 2.700 2.858 2.816 2.952 0.252 9 0 "[ . 1 . 2 ]" 1
141 1 54 LYS H 1 54 LYS QG 0.000 . 2.700 2.437 1.846 2.753 0.053 4 0 "[ . 1 . 2 ]" 1
142 1 55 GLY H 1 55 GLY HA2 0.000 . 2.700 2.486 2.367 2.543 . 0 0 "[ . 1 . 2 ]" 1
143 1 55 GLY H 1 55 GLY HA3 0.000 . 2.700 2.948 2.916 2.955 0.255 22 0 "[ . 1 . 2 ]" 1
144 1 56 ASP H 1 56 ASP HB3 0.000 . 3.500 3.231 2.723 3.604 0.104 11 0 "[ . 1 . 2 ]" 1
145 1 56 ASP H 1 56 ASP HB2 0.000 . 3.500 3.158 2.195 3.590 0.090 5 0 "[ . 1 . 2 ]" 1
146 1 57 HIS HA 1 57 HIS HD2 0.000 . 3.500 2.608 1.943 3.523 0.023 15 0 "[ . 1 . 2 ]" 1
147 1 58 VAL H 1 58 VAL QG 0.000 . 3.500 2.998 2.364 3.257 . 0 0 "[ . 1 . 2 ]" 1
148 1 60 HIS H 1 60 HIS HD2 0.000 . 5.000 3.054 2.002 3.312 . 0 0 "[ . 1 . 2 ]" 1
149 1 60 HIS HA 1 60 HIS HD2 0.000 . 5.000 4.320 4.090 4.564 . 0 0 "[ . 1 . 2 ]" 1
150 1 61 TYR HA 1 61 TYR QD 0.000 . 3.500 2.553 1.919 3.082 . 0 0 "[ . 1 . 2 ]" 1
151 1 61 TYR H 1 61 TYR QB 0.000 . 2.700 2.533 2.407 2.685 . 0 0 "[ . 1 . 2 ]" 1
152 1 62 LYS H 1 62 LYS QG 0.000 . 5.000 3.910 2.394 4.061 . 0 0 "[ . 1 . 2 ]" 1
153 1 63 ILE H 1 63 ILE HB 0.000 . 3.500 2.259 2.174 2.366 . 0 0 "[ . 1 . 2 ]" 1
154 1 63 ILE H 1 63 ILE HG13 0.000 . 5.000 3.200 2.603 3.914 . 0 0 "[ . 1 . 2 ]" 1
155 1 63 ILE H 1 63 ILE HG12 0.000 . 5.000 4.078 3.505 4.366 . 0 0 "[ . 1 . 2 ]" 1
156 1 63 ILE H 1 63 ILE MD 0.000 . 5.000 3.131 1.839 4.086 . 0 0 "[ . 1 . 2 ]" 1
157 1 63 ILE HA 1 63 ILE MG 0.000 . 3.500 2.560 2.423 2.720 . 0 0 "[ . 1 . 2 ]" 1
158 1 63 ILE HA 1 63 ILE MD 0.000 . 3.500 3.436 2.272 3.701 0.201 15 0 "[ . 1 . 2 ]" 1
159 1 64 ARG H 1 64 ARG QD 0.000 . 3.500 3.517 3.187 3.661 0.161 13 0 "[ . 1 . 2 ]" 1
160 1 65 LYS H 1 65 LYS HG3 0.000 . 5.000 4.705 3.833 4.904 . 0 0 "[ . 1 . 2 ]" 1
161 1 65 LYS H 1 65 LYS HG2 0.000 . 5.000 4.178 2.647 4.574 . 0 0 "[ . 1 . 2 ]" 1
162 1 66 LEU H 1 66 LEU QB 0.000 . 2.700 2.371 2.201 2.789 0.089 21 0 "[ . 1 . 2 ]" 1
163 1 66 LEU H 1 66 LEU HG 0.000 . 5.000 3.824 2.090 4.302 . 0 0 "[ . 1 . 2 ]" 1
164 1 66 LEU H 1 66 LEU QD 0.000 . 3.500 1.901 1.766 2.163 . 0 0 "[ . 1 . 2 ]" 1
165 1 67 ASP H 1 67 ASP HB3 0.000 . 3.500 3.359 3.316 3.386 . 0 0 "[ . 1 . 2 ]" 1
166 1 67 ASP H 1 67 ASP HB2 0.000 . 3.500 2.094 2.065 2.109 . 0 0 "[ . 1 . 2 ]" 1
167 1 68 ASN H 1 68 ASN QB 0.000 . 2.700 2.503 2.422 2.764 0.064 3 0 "[ . 1 . 2 ]" 1
168 1 69 GLY H 1 69 GLY QA 0.000 . 2.700 2.382 2.296 2.502 . 0 0 "[ . 1 . 2 ]" 1
169 1 70 GLY H 1 70 GLY QA 0.000 . 2.700 2.474 2.228 2.522 . 0 0 "[ . 1 . 2 ]" 1
170 1 71 TYR H 1 71 TYR QD 0.000 . 3.500 3.059 2.500 3.569 0.069 13 0 "[ . 1 . 2 ]" 1
171 1 71 TYR H 1 71 TYR HB2 0.000 . 3.500 2.331 2.173 2.553 . 0 0 "[ . 1 . 2 ]" 1
172 1 72 TYR H 1 72 TYR QD 0.000 . 3.500 2.625 1.829 3.002 . 0 0 "[ . 1 . 2 ]" 1
173 1 72 TYR H 1 72 TYR QE 0.000 . 5.000 4.189 3.900 4.570 . 0 0 "[ . 1 . 2 ]" 1
174 1 73 ILE H 1 73 ILE MD 0.000 . 5.000 3.614 2.716 4.018 . 0 0 "[ . 1 . 2 ]" 1
175 1 74 THR H 1 74 THR MG 0.000 . 3.500 2.100 2.021 2.242 . 0 0 "[ . 1 . 2 ]" 1
176 1 75 THR HA 1 75 THR MG 0.000 . 2.700 2.233 1.978 2.341 . 0 0 "[ . 1 . 2 ]" 1
177 1 76 ARG H 1 76 ARG QD 0.000 . 5.000 4.126 3.114 4.634 . 0 0 "[ . 1 . 2 ]" 1
178 1 77 ALA H 1 77 ALA MB 0.000 . 2.700 2.739 2.717 2.810 0.110 13 0 "[ . 1 . 2 ]" 1
179 1 78 GLN H 1 78 GLN HG3 0.000 . 3.500 3.183 2.303 3.558 0.058 22 0 "[ . 1 . 2 ]" 1
180 1 78 GLN H 1 78 GLN HG2 0.000 . 5.000 2.421 1.764 4.389 . 0 0 "[ . 1 . 2 ]" 1
181 1 78 GLN H 1 78 GLN QB 0.000 . 3.500 2.962 2.524 3.184 . 0 0 "[ . 1 . 2 ]" 1
182 1 79 PHE H 1 79 PHE QD 0.000 . 3.500 3.019 2.831 3.509 0.009 22 0 "[ . 1 . 2 ]" 1
183 1 79 PHE HA 1 79 PHE QD 0.000 . 3.500 2.948 2.328 3.069 . 0 0 "[ . 1 . 2 ]" 1
184 1 79 PHE H 1 79 PHE QB 0.000 . 3.500 2.720 2.673 2.780 . 0 0 "[ . 1 . 2 ]" 1
185 1 79 PHE H 1 79 PHE QE 0.000 . 5.000 5.123 5.035 5.272 0.272 10 0 "[ . 1 . 2 ]" 1
186 1 80 GLU H 1 80 GLU HG3 0.000 . 3.500 3.074 1.991 3.550 0.050 22 0 "[ . 1 . 2 ]" 1
187 1 80 GLU H 1 80 GLU HG2 0.000 . 3.500 2.089 1.862 2.563 . 0 0 "[ . 1 . 2 ]" 1
188 1 80 GLU H 1 80 GLU QB 0.000 . 2.700 2.798 2.687 2.888 0.188 13 0 "[ . 1 . 2 ]" 1
189 1 81 THR H 1 81 THR MG 0.000 . 3.500 2.070 1.837 2.216 . 0 0 "[ . 1 . 2 ]" 1
190 1 81 THR H 1 81 THR HG1 0.000 . 5.000 4.017 3.879 4.124 . 0 0 "[ . 1 . 2 ]" 1
191 1 82 LEU H 1 82 LEU QB 0.000 . 3.500 2.312 2.127 2.583 . 0 0 "[ . 1 . 2 ]" 1
192 1 82 LEU H 1 82 LEU HG 0.000 . 3.500 2.814 2.305 3.490 . 0 0 "[ . 1 . 2 ]" 1
193 1 82 LEU H 1 82 LEU MD1 0.000 . 5.000 3.260 2.241 3.976 . 0 0 "[ . 1 . 2 ]" 1
194 1 82 LEU H 1 82 LEU MD2 0.000 . 5.000 3.980 3.442 4.383 . 0 0 "[ . 1 . 2 ]" 1
195 1 83 GLN H 1 83 GLN QG 0.000 . 5.000 3.763 1.940 4.007 . 0 0 "[ . 1 . 2 ]" 1
196 1 83 GLN H 1 83 GLN QB 0.000 . 3.500 2.232 2.084 2.560 . 0 0 "[ . 1 . 2 ]" 1
197 1 84 GLN H 1 84 GLN HE21 0.000 . 5.000 3.967 2.403 4.530 . 0 0 "[ . 1 . 2 ]" 1
198 1 84 GLN H 1 84 GLN QG 0.000 . 3.500 3.348 2.634 3.581 0.081 15 0 "[ . 1 . 2 ]" 1
199 1 84 GLN H 1 84 GLN QB 0.000 . 3.500 2.240 2.165 2.365 . 0 0 "[ . 1 . 2 ]" 1
200 1 85 LEU H 1 85 LEU HG 0.000 . 3.500 2.983 2.749 3.227 . 0 0 "[ . 1 . 2 ]" 1
201 1 85 LEU H 1 85 LEU MD2 0.000 . 5.000 3.039 2.595 3.303 . 0 0 "[ . 1 . 2 ]" 1
202 1 85 LEU H 1 85 LEU MD1 0.000 . 5.000 4.224 4.119 4.314 . 0 0 "[ . 1 . 2 ]" 1
203 1 87 GLN H 1 87 GLN HA 0.000 . 2.700 2.874 2.838 2.886 0.186 9 0 "[ . 1 . 2 ]" 1
204 1 87 GLN H 1 87 GLN QG 0.000 . 5.000 3.979 3.947 4.051 . 0 0 "[ . 1 . 2 ]" 1
205 1 88 HIS H 1 88 HIS HA 0.000 . 2.700 2.887 2.855 2.911 0.211 11 0 "[ . 1 . 2 ]" 1
206 1 88 HIS H 1 88 HIS HB3 0.000 . 2.700 2.762 2.718 2.787 0.087 17 0 "[ . 1 . 2 ]" 1
207 1 88 HIS H 1 88 HIS HB2 0.000 . 2.700 2.340 2.309 2.418 . 0 0 "[ . 1 . 2 ]" 1
208 1 89 TYR H 1 89 TYR HB3 0.000 . 3.500 3.574 3.529 3.600 0.100 7 0 "[ . 1 . 2 ]" 1
209 1 89 TYR H 1 89 TYR HB2 0.000 . 3.500 2.332 2.255 2.389 . 0 0 "[ . 1 . 2 ]" 1
210 1 89 TYR H 1 89 TYR QE 0.000 . 5.000 4.176 4.037 4.304 . 0 0 "[ . 1 . 2 ]" 1
211 1 90 SER H 1 90 SER HA 0.000 . 2.700 2.858 2.808 2.902 0.202 17 0 "[ . 1 . 2 ]" 1
212 1 90 SER H 1 90 SER HB3 0.000 . 3.500 3.298 3.117 3.522 0.022 17 0 "[ . 1 . 2 ]" 1
213 1 90 SER H 1 90 SER HB2 0.000 . 3.500 2.101 2.053 2.231 . 0 0 "[ . 1 . 2 ]" 1
214 1 91 GLU H 1 91 GLU HG3 0.000 . 3.500 2.727 2.248 3.374 . 0 0 "[ . 1 . 2 ]" 1
215 1 91 GLU H 1 91 GLU HG2 0.000 . 3.500 2.739 2.040 3.110 . 0 0 "[ . 1 . 2 ]" 1
216 1 91 GLU H 1 91 GLU QB 0.000 . 2.700 2.596 2.395 2.729 0.029 22 0 "[ . 1 . 2 ]" 1
217 1 92 ARG H 1 92 ARG HG2 0.000 . 5.000 3.327 2.530 3.830 . 0 0 "[ . 1 . 2 ]" 1
218 1 92 ARG H 1 92 ARG HG3 0.000 . 5.000 2.819 2.450 3.734 . 0 0 "[ . 1 . 2 ]" 1
219 1 92 ARG H 1 92 ARG QD 0.000 . 5.000 4.415 4.157 4.742 . 0 0 "[ . 1 . 2 ]" 1
220 1 93 ALA H 1 93 ALA MB 0.000 . 2.700 2.274 2.067 2.340 . 0 0 "[ . 1 . 2 ]" 1
221 1 94 ALA H 1 94 ALA HA 0.000 . 2.700 2.385 2.358 2.478 . 0 0 "[ . 1 . 2 ]" 1
222 1 96 LEU H 1 96 LEU QB 0.000 . 3.500 2.610 2.402 3.021 . 0 0 "[ . 1 . 2 ]" 1
223 1 96 LEU H 1 96 LEU HG 0.000 . 3.500 2.852 1.858 3.617 0.117 5 0 "[ . 1 . 2 ]" 1
224 1 96 LEU H 1 96 LEU QD 0.000 . 3.500 1.755 1.639 1.943 . 0 0 "[ . 1 . 2 ]" 1
225 1 97 SER H 1 97 SER QB 0.000 . 3.500 2.331 2.072 2.964 . 0 0 "[ . 1 . 2 ]" 1
226 1 99 ARG H 1 99 ARG QD 0.000 . 5.000 3.605 2.439 4.783 . 0 0 "[ . 1 . 2 ]" 1
227 1 100 LEU H 1 100 LEU HG 0.000 . 3.500 2.581 1.742 3.615 0.115 20 0 "[ . 1 . 2 ]" 1
228 1 100 LEU H 1 100 LEU QD 0.000 . 3.500 2.144 1.561 3.271 . 0 0 "[ . 1 . 2 ]" 1
229 1 101 VAL H 1 101 VAL HB 0.000 . 3.500 3.046 2.185 3.609 0.109 2 0 "[ . 1 . 2 ]" 1
230 1 101 VAL H 1 101 VAL QG 0.000 . 3.500 2.085 1.730 2.812 . 0 0 "[ . 1 . 2 ]" 1
231 1 102 VAL H 1 102 VAL HB 0.000 . 3.500 2.843 2.345 3.517 0.017 8 0 "[ . 1 . 2 ]" 1
232 1 104 SER H 1 104 SER HB2 0.000 . 3.500 3.307 2.466 3.988 0.488 3 0 "[ . 1 . 2 ]" 1
233 1 105 HIS H 1 105 HIS HD2 0.000 . 3.500 2.696 1.922 3.569 0.069 8 0 "[ . 1 . 2 ]" 1
234 1 106 LYS H 1 106 LYS HA 0.000 . 2.700 2.716 2.346 2.816 0.116 6 0 "[ . 1 . 2 ]" 1
235 1 106 LYS H 1 106 LYS HB3 0.000 . 3.500 3.266 2.553 3.516 0.016 16 0 "[ . 1 . 2 ]" 1
236 1 106 LYS H 1 106 LYS HB2 0.000 . 3.500 2.712 2.113 3.509 0.009 6 0 "[ . 1 . 2 ]" 1
237 1 2 ILE HA 1 3 GLN H 0.000 . 3.500 2.773 2.252 3.570 0.070 9 0 "[ . 1 . 2 ]" 1
238 1 2 ILE MG 1 3 GLN H 0.000 . 5.000 3.526 2.840 4.257 . 0 0 "[ . 1 . 2 ]" 1
239 1 3 GLN HA 1 4 ALA H 0.000 . 3.500 3.352 2.634 3.557 0.057 4 0 "[ . 1 . 2 ]" 1
240 1 3 GLN QB 1 4 ALA H 0.000 . 5.000 2.546 1.779 3.952 . 0 0 "[ . 1 . 2 ]" 1
241 1 3 GLN H 1 4 ALA H 0.000 . 3.500 3.174 2.759 3.580 0.080 10 0 "[ . 1 . 2 ]" 1
242 1 4 ALA HA 1 5 GLU H 0.000 . 3.500 2.815 2.170 3.567 0.067 1 0 "[ . 1 . 2 ]" 1
243 1 4 ALA MB 1 5 GLU H 0.000 . 3.500 3.330 2.083 3.686 0.186 18 0 "[ . 1 . 2 ]" 1
244 1 5 GLU HA 1 6 GLU H 0.000 . 5.000 3.237 2.653 3.571 . 0 0 "[ . 1 . 2 ]" 1
245 1 5 GLU H 1 6 GLU H 0.000 . 5.000 2.359 1.822 4.395 . 0 0 "[ . 1 . 2 ]" 1
246 1 5 GLU QB 1 6 GLU H 0.000 . 5.000 3.165 1.817 4.030 . 0 0 "[ . 1 . 2 ]" 1
247 1 5 GLU HG2 1 6 GLU H 0.000 . 5.000 4.346 2.251 5.399 0.399 2 0 "[ . 1 . 2 ]" 1
248 1 6 GLU H 1 7 TRP HD1 0.000 . 5.000 4.506 2.770 5.038 0.038 13 0 "[ . 1 . 2 ]" 1
249 1 6 GLU H 1 7 TRP H 0.000 . 5.000 2.333 1.850 3.127 . 0 0 "[ . 1 . 2 ]" 1
250 1 6 GLU HA 1 7 TRP H 0.000 . 3.500 3.480 3.122 3.574 0.074 11 0 "[ . 1 . 2 ]" 1
251 1 6 GLU QB 1 7 TRP H 0.000 . 3.500 2.592 1.954 3.564 0.064 7 0 "[ . 1 . 2 ]" 1
252 1 7 TRP H 1 8 TYR HB2 0.000 . 5.000 4.929 4.595 5.181 0.181 15 0 "[ . 1 . 2 ]" 1
253 1 7 TRP H 1 8 TYR H 0.000 . 3.500 2.083 1.658 2.460 . 0 0 "[ . 1 . 2 ]" 1
254 1 7 TRP HB3 1 8 TYR H 0.000 . 5.000 4.465 4.259 4.628 . 0 0 "[ . 1 . 2 ]" 1
255 1 7 TRP HA 1 8 TYR H 0.000 . 5.000 3.260 3.108 3.462 . 0 0 "[ . 1 . 2 ]" 1
256 1 7 TRP HZ3 1 8 TYR QD 0.000 . 3.500 3.203 2.409 3.536 0.036 11 0 "[ . 1 . 2 ]" 1
257 1 8 TYR H 1 9 PHE QD 0.000 . 5.000 3.324 3.060 3.947 . 0 0 "[ . 1 . 2 ]" 1
258 1 8 TYR QD 1 9 PHE H 0.000 . 5.000 3.466 2.781 4.198 . 0 0 "[ . 1 . 2 ]" 1
259 1 8 TYR QD 1 9 PHE HA 0.000 . 5.000 4.087 3.345 4.813 . 0 0 "[ . 1 . 2 ]" 1
260 1 8 TYR HA 1 9 PHE H 0.000 . 2.700 2.172 2.128 2.221 . 0 0 "[ . 1 . 2 ]" 1
261 1 8 TYR HB2 1 9 PHE H 0.000 . 5.000 4.065 3.675 4.433 . 0 0 "[ . 1 . 2 ]" 1
262 1 9 PHE H 1 10 GLY H 0.000 . 5.000 2.313 2.055 2.752 . 0 0 "[ . 1 . 2 ]" 1
263 1 9 PHE HA 1 10 GLY H 0.000 . 3.500 3.549 3.514 3.581 0.081 15 0 "[ . 1 . 2 ]" 1
264 1 10 GLY H 1 11 LYS H 0.000 . 5.000 4.152 3.974 4.432 . 0 0 "[ . 1 . 2 ]" 1
265 1 10 GLY H 1 11 LYS QG 0.000 . 5.000 5.062 4.963 5.131 0.131 4 0 "[ . 1 . 2 ]" 1
266 1 10 GLY HA3 1 11 LYS H 0.000 . 3.500 2.177 2.141 2.324 . 0 0 "[ . 1 . 2 ]" 1
267 1 10 GLY HA2 1 11 LYS H 0.000 . 3.500 3.224 2.899 3.362 . 0 0 "[ . 1 . 2 ]" 1
268 1 11 LYS H 1 12 LEU H 0.000 . 3.500 3.536 3.457 3.625 0.125 18 0 "[ . 1 . 2 ]" 1
269 1 11 LYS H 1 12 LEU HA 0.000 . 5.000 4.743 4.617 4.913 . 0 0 "[ . 1 . 2 ]" 1
270 1 11 LYS H 1 12 LEU QD 0.000 . 5.000 4.755 4.695 4.837 . 0 0 "[ . 1 . 2 ]" 1
271 1 11 LYS HA 1 12 LEU H 0.000 . 2.700 2.433 2.381 2.482 . 0 0 "[ . 1 . 2 ]" 1
272 1 11 LYS QB 1 12 LEU H 0.000 . 5.000 3.877 3.856 3.896 . 0 0 "[ . 1 . 2 ]" 1
273 1 12 LEU H 1 13 GLY H 0.000 . 5.000 4.511 4.298 4.586 . 0 0 "[ . 1 . 2 ]" 1
274 1 12 LEU HA 1 13 GLY H 0.000 . 2.700 2.565 2.401 2.761 0.061 14 0 "[ . 1 . 2 ]" 1
275 1 12 LEU HG 1 13 GLY H 0.000 . 3.500 1.898 1.790 3.792 0.292 14 0 "[ . 1 . 2 ]" 1
276 1 12 LEU QB 1 13 GLY H 0.000 . 3.500 2.981 1.827 3.300 . 0 0 "[ . 1 . 2 ]" 1
277 1 12 LEU QD 1 13 GLY H 0.000 . 2.700 2.222 1.747 2.673 . 0 0 "[ . 1 . 2 ]" 1
278 1 13 GLY H 1 14 ARG H 0.000 . 5.000 4.460 4.302 4.616 . 0 0 "[ . 1 . 2 ]" 1
279 1 13 GLY HA3 1 14 ARG H 0.000 . 3.500 2.666 2.384 2.977 . 0 0 "[ . 1 . 2 ]" 1
280 1 13 GLY HA2 1 14 ARG H 0.000 . 3.500 2.588 2.303 2.846 . 0 0 "[ . 1 . 2 ]" 1
281 1 14 ARG H 1 15 LYS H 0.000 . 3.500 2.477 2.279 2.932 . 0 0 "[ . 1 . 2 ]" 1
282 1 14 ARG HA 1 15 LYS H 0.000 . 3.500 3.451 3.429 3.485 . 0 0 "[ . 1 . 2 ]" 1
283 1 14 ARG QB 1 15 LYS H 0.000 . 3.500 3.542 2.963 3.626 0.126 16 0 "[ . 1 . 2 ]" 1
284 1 14 ARG QD 1 15 LYS H 0.000 . 3.500 3.135 1.858 3.601 0.101 7 0 "[ . 1 . 2 ]" 1
285 1 15 LYS H 1 16 ASP H 0.000 . 3.500 2.475 2.382 2.548 . 0 0 "[ . 1 . 2 ]" 1
286 1 15 LYS H 1 16 ASP HA 0.000 . 5.000 5.122 5.042 5.182 0.182 5 0 "[ . 1 . 2 ]" 1
287 1 15 LYS H 1 16 ASP HB2 0.000 . 5.000 4.516 4.193 4.767 . 0 0 "[ . 1 . 2 ]" 1
288 1 15 LYS H 1 16 ASP HB3 0.000 . 5.000 5.063 5.011 5.138 0.138 17 0 "[ . 1 . 2 ]" 1
289 1 15 LYS HA 1 16 ASP H 0.000 . 3.500 3.523 3.486 3.548 0.048 12 0 "[ . 1 . 2 ]" 1
290 1 15 LYS QB 1 16 ASP H 0.000 . 2.700 2.653 2.504 2.762 0.062 10 0 "[ . 1 . 2 ]" 1
291 1 16 ASP H 1 17 ALA HA 0.000 . 5.000 5.077 5.023 5.098 0.098 12 0 "[ . 1 . 2 ]" 1
292 1 16 ASP H 1 17 ALA MB 0.000 . 5.000 4.089 3.965 4.145 . 0 0 "[ . 1 . 2 ]" 1
293 1 16 ASP H 1 17 ALA H 0.000 . 3.500 2.415 2.354 2.454 . 0 0 "[ . 1 . 2 ]" 1
294 1 16 ASP HA 1 17 ALA H 0.000 . 3.500 3.503 3.445 3.542 0.042 2 0 "[ . 1 . 2 ]" 1
295 1 16 ASP HB2 1 17 ALA H 0.000 . 3.500 3.554 3.466 3.615 0.115 7 0 "[ . 1 . 2 ]" 1
296 1 16 ASP HB3 1 17 ALA H 0.000 . 3.500 2.666 2.367 3.054 . 0 0 "[ . 1 . 2 ]" 1
297 1 17 ALA H 1 18 GLU H 0.000 . 3.500 2.757 2.464 2.974 . 0 0 "[ . 1 . 2 ]" 1
298 1 17 ALA HA 1 18 GLU H 0.000 . 3.500 3.550 3.526 3.570 0.070 7 0 "[ . 1 . 2 ]" 1
299 1 17 ALA MB 1 18 GLU H 0.000 . 3.500 2.473 2.245 2.647 . 0 0 "[ . 1 . 2 ]" 1
300 1 17 ALA MB 1 18 GLU QG 0.000 . 5.000 3.757 2.932 4.126 . 0 0 "[ . 1 . 2 ]" 1
301 1 18 GLU H 1 19 ARG H 0.000 . 3.500 2.583 2.428 2.786 . 0 0 "[ . 1 . 2 ]" 1
302 1 18 GLU HG2 1 19 ARG H 0.000 . 5.000 3.192 2.558 4.317 . 0 0 "[ . 1 . 2 ]" 1
303 1 18 GLU HG3 1 19 ARG H 0.000 . 3.500 2.176 1.845 3.525 0.025 20 0 "[ . 1 . 2 ]" 1
304 1 18 GLU HA 1 19 ARG H 0.000 . 5.000 3.526 3.434 3.577 . 0 0 "[ . 1 . 2 ]" 1
305 1 18 GLU QB 1 19 ARG H 0.000 . 3.500 3.317 2.416 3.581 0.081 18 0 "[ . 1 . 2 ]" 1
306 1 19 ARG H 1 20 GLN H 0.000 . 3.500 2.706 2.284 3.128 . 0 0 "[ . 1 . 2 ]" 1
307 1 19 ARG HA 1 20 GLN H 0.000 . 3.500 3.493 3.341 3.569 0.069 14 0 "[ . 1 . 2 ]" 1
308 1 19 ARG QB 1 20 GLN H 0.000 . 5.000 2.602 1.860 3.329 . 0 0 "[ . 1 . 2 ]" 1
309 1 19 ARG QG 1 20 GLN H 0.000 . 5.000 4.210 2.591 4.661 . 0 0 "[ . 1 . 2 ]" 1
310 1 19 ARG QD 1 20 GLN H 0.000 . 5.000 4.553 3.516 5.010 0.010 11 0 "[ . 1 . 2 ]" 1
311 1 20 GLN H 1 21 LEU H 0.000 . 3.500 2.705 2.267 3.172 . 0 0 "[ . 1 . 2 ]" 1
312 1 20 GLN QB 1 21 LEU H 0.000 . 3.500 2.632 2.072 3.074 . 0 0 "[ . 1 . 2 ]" 1
313 1 20 GLN QG 1 21 LEU H 0.000 . 5.000 4.270 3.906 4.656 . 0 0 "[ . 1 . 2 ]" 1
314 1 21 LEU HA 1 22 LEU H 0.000 . 3.500 3.565 3.543 3.581 0.081 17 0 "[ . 1 . 2 ]" 1
315 1 22 LEU H 1 23 SER H 0.000 . 3.500 2.750 2.308 3.385 . 0 0 "[ . 1 . 2 ]" 1
316 1 22 LEU HG 1 23 SER H 0.000 . 5.000 4.281 3.769 4.760 . 0 0 "[ . 1 . 2 ]" 1
317 1 22 LEU QD 1 23 SER H 0.000 . 5.000 3.995 3.697 4.189 . 0 0 "[ . 1 . 2 ]" 1
318 1 22 LEU HA 1 23 SER H 0.000 . 5.000 3.512 3.113 3.592 . 0 0 "[ . 1 . 2 ]" 1
319 1 24 PHE HB3 1 25 GLY H 0.000 . 5.000 3.250 1.866 4.427 . 0 0 "[ . 1 . 2 ]" 1
320 1 24 PHE HB2 1 25 GLY H 0.000 . 5.000 3.860 2.323 4.686 . 0 0 "[ . 1 . 2 ]" 1
321 1 24 PHE QD 1 25 GLY H 0.000 . 5.000 3.827 1.927 4.700 . 0 0 "[ . 1 . 2 ]" 1
322 1 24 PHE HA 1 25 GLY H 0.000 . 3.500 2.786 2.187 3.559 0.059 16 0 "[ . 1 . 2 ]" 1
323 1 25 GLY H 1 26 ASN H 0.000 . 3.500 2.375 1.872 3.416 . 0 0 "[ . 1 . 2 ]" 1
324 1 25 GLY HA3 1 26 ASN H 0.000 . 3.500 2.953 2.311 3.523 0.023 22 0 "[ . 1 . 2 ]" 1
325 1 25 GLY HA2 1 26 ASN H 0.000 . 3.500 3.385 2.934 3.551 0.051 12 0 "[ . 1 . 2 ]" 1
326 1 27 PRO HA 1 28 ARG H 0.000 . 3.500 2.672 2.437 2.838 . 0 0 "[ . 1 . 2 ]" 1
327 1 27 PRO QB 1 28 ARG H 0.000 . 3.500 2.179 1.860 2.660 . 0 0 "[ . 1 . 2 ]" 1
328 1 28 ARG H 1 29 GLY H 0.000 . 5.000 4.685 4.614 4.709 . 0 0 "[ . 1 . 2 ]" 1
329 1 28 ARG HA 1 29 GLY H 0.000 . 3.500 2.442 2.251 2.671 . 0 0 "[ . 1 . 2 ]" 1
330 1 28 ARG QB 1 29 GLY H 0.000 . 3.500 2.644 2.038 3.506 0.006 2 0 "[ . 1 . 2 ]" 1
331 1 29 GLY H 1 30 THR H 0.000 . 3.500 2.401 2.155 2.612 . 0 0 "[ . 1 . 2 ]" 1
332 1 29 GLY H 1 30 THR HG1 0.000 . 5.000 4.634 3.969 4.999 . 0 0 "[ . 1 . 2 ]" 1
333 1 29 GLY HA3 1 30 THR H 0.000 . 5.000 3.348 3.200 3.459 . 0 0 "[ . 1 . 2 ]" 1
334 1 29 GLY HA2 1 30 THR H 0.000 . 3.500 3.237 3.076 3.382 . 0 0 "[ . 1 . 2 ]" 1
335 1 30 THR HA 1 31 PHE H 0.000 . 5.000 2.355 2.214 2.575 . 0 0 "[ . 1 . 2 ]" 1
336 1 30 THR HB 1 31 PHE H 0.000 . 5.000 4.206 3.303 4.456 . 0 0 "[ . 1 . 2 ]" 1
337 1 30 THR HG1 1 31 PHE H 0.000 . 5.000 4.691 4.265 4.985 . 0 0 "[ . 1 . 2 ]" 1
338 1 31 PHE H 1 32 LEU H 0.000 . 5.000 4.194 3.521 4.617 . 0 0 "[ . 1 . 2 ]" 1
339 1 31 PHE HA 1 32 LEU H 0.000 . 2.700 2.304 2.178 2.752 0.052 22 0 "[ . 1 . 2 ]" 1
340 1 31 PHE HB3 1 32 LEU H 0.000 . 5.000 3.637 2.103 4.230 . 0 0 "[ . 1 . 2 ]" 1
341 1 31 PHE HB2 1 32 LEU H 0.000 . 5.000 4.205 2.539 4.557 . 0 0 "[ . 1 . 2 ]" 1
342 1 31 PHE QD 1 32 LEU H 0.000 . 5.000 4.497 3.043 4.945 . 0 0 "[ . 1 . 2 ]" 1
343 1 32 LEU H 1 33 ILE H 0.000 . 5.000 4.493 4.306 4.653 . 0 0 "[ . 1 . 2 ]" 1
344 1 32 LEU QD 1 33 ILE H 0.000 . 3.500 2.519 2.056 3.211 . 0 0 "[ . 1 . 2 ]" 1
345 1 33 ILE HA 1 34 ARG H 0.000 . 2.700 2.513 2.384 2.551 . 0 0 "[ . 1 . 2 ]" 1
346 1 33 ILE HB 1 34 ARG H 0.000 . 5.000 3.779 3.726 3.960 . 0 0 "[ . 1 . 2 ]" 1
347 1 33 ILE QG 1 34 ARG H 0.000 . 5.000 3.504 3.400 3.760 . 0 0 "[ . 1 . 2 ]" 1
348 1 33 ILE MG 1 34 ARG H 0.000 . 5.000 1.758 1.725 2.055 . 0 0 "[ . 1 . 2 ]" 1
349 1 33 ILE MD 1 34 ARG H 0.000 . 5.000 4.095 3.874 4.449 . 0 0 "[ . 1 . 2 ]" 1
350 1 33 ILE H 1 34 ARG H 0.000 . 5.000 4.477 4.434 4.528 . 0 0 "[ . 1 . 2 ]" 1
351 1 34 ARG H 1 35 GLU H 0.000 . 5.000 4.252 4.092 4.331 . 0 0 "[ . 1 . 2 ]" 1
352 1 34 ARG HA 1 35 GLU H 0.000 . 2.700 2.311 2.204 2.416 . 0 0 "[ . 1 . 2 ]" 1
353 1 35 GLU H 1 36 SER H 0.000 . 5.000 4.615 4.580 4.670 . 0 0 "[ . 1 . 2 ]" 1
354 1 35 GLU HA 1 36 SER H 0.000 . 2.700 2.213 2.186 2.251 . 0 0 "[ . 1 . 2 ]" 1
355 1 35 GLU QG 1 36 SER H 0.000 . 3.500 3.559 3.519 3.618 0.118 15 0 "[ . 1 . 2 ]" 1
356 1 35 GLU HB3 1 36 SER H 0.000 . 5.000 3.695 3.223 4.513 . 0 0 "[ . 1 . 2 ]" 1
357 1 35 GLU HB2 1 36 SER H 0.000 . 5.000 4.071 3.218 4.473 . 0 0 "[ . 1 . 2 ]" 1
358 1 36 SER HA 1 37 GLU H 0.000 . 3.500 2.244 2.189 2.598 . 0 0 "[ . 1 . 2 ]" 1
359 1 36 SER HB2 1 37 GLU H 0.000 . 5.000 4.117 3.225 4.356 . 0 0 "[ . 1 . 2 ]" 1
360 1 36 SER HB3 1 37 GLU H 0.000 . 5.000 3.180 1.959 3.472 . 0 0 "[ . 1 . 2 ]" 1
361 1 37 GLU H 1 38 THR H 0.000 . 3.500 2.481 1.862 2.632 . 0 0 "[ . 1 . 2 ]" 1
362 1 37 GLU HA 1 38 THR H 0.000 . 3.500 3.130 3.092 3.167 . 0 0 "[ . 1 . 2 ]" 1
363 1 37 GLU QG 1 38 THR H 0.000 . 5.000 4.401 4.282 4.641 . 0 0 "[ . 1 . 2 ]" 1
364 1 37 GLU QB 1 38 THR H 0.000 . 3.500 3.550 3.527 3.576 0.076 3 0 "[ . 1 . 2 ]" 1
365 1 38 THR H 1 39 THR H 0.000 . 2.700 2.385 2.220 2.544 . 0 0 "[ . 1 . 2 ]" 1
366 1 38 THR HA 1 39 THR H 0.000 . 3.500 3.529 3.509 3.542 0.042 15 0 "[ . 1 . 2 ]" 1
367 1 38 THR HB 1 39 THR H 0.000 . 3.500 3.596 3.582 3.612 0.112 5 0 "[ . 1 . 2 ]" 1
368 1 38 THR MG 1 39 THR H 0.000 . 3.500 1.839 1.776 1.972 . 0 0 "[ . 1 . 2 ]" 1
369 1 39 THR H 1 40 LYS H 0.000 . 5.000 4.471 4.423 4.564 . 0 0 "[ . 1 . 2 ]" 1
370 1 39 THR HA 1 40 LYS H 0.000 . 2.700 2.681 2.528 2.730 0.030 6 0 "[ . 1 . 2 ]" 1
371 1 39 THR HB 1 40 LYS H 0.000 . 5.000 3.703 3.661 3.752 . 0 0 "[ . 1 . 2 ]" 1
372 1 39 THR MG 1 40 LYS H 0.000 . 2.700 2.377 1.741 2.711 0.011 22 0 "[ . 1 . 2 ]" 1
373 1 40 LYS HA 1 41 GLY H 0.000 . 3.500 3.508 3.475 3.522 0.022 5 0 "[ . 1 . 2 ]" 1
374 1 40 LYS H 1 41 GLY H 0.000 . 3.500 2.849 2.817 2.886 . 0 0 "[ . 1 . 2 ]" 1
375 1 40 LYS QB 1 41 GLY H 0.000 . 2.700 2.600 2.535 2.718 0.018 14 0 "[ . 1 . 2 ]" 1
376 1 40 LYS QG 1 41 GLY H 0.000 . 3.500 3.573 3.561 3.600 0.100 14 0 "[ . 1 . 2 ]" 1
377 1 41 GLY H 1 42 ALA H 0.000 . 2.700 2.580 2.252 2.677 . 0 0 "[ . 1 . 2 ]" 1
378 1 41 GLY HA2 1 42 ALA H 0.000 . 2.700 2.471 2.427 2.607 . 0 0 "[ . 1 . 2 ]" 1
379 1 42 ALA H 1 43 TYR H 0.000 . 5.000 4.350 4.228 4.405 . 0 0 "[ . 1 . 2 ]" 1
380 1 42 ALA H 1 43 TYR HA 0.000 . 5.000 5.087 5.049 5.169 0.169 14 0 "[ . 1 . 2 ]" 1
381 1 42 ALA HA 1 43 TYR H 0.000 . 2.700 2.847 2.800 2.911 0.211 6 0 "[ . 1 . 2 ]" 1
382 1 42 ALA MB 1 43 TYR H 0.000 . 2.700 1.826 1.772 1.984 . 0 0 "[ . 1 . 2 ]" 1
383 1 43 TYR H 1 44 SER H 0.000 . 5.000 4.414 4.376 4.469 . 0 0 "[ . 1 . 2 ]" 1
384 1 43 TYR HA 1 44 SER H 0.000 . 2.700 2.715 2.611 2.768 0.068 14 0 "[ . 1 . 2 ]" 1
385 1 43 TYR HB3 1 44 SER H 0.000 . 5.000 2.181 2.032 2.377 . 0 0 "[ . 1 . 2 ]" 1
386 1 43 TYR HB2 1 44 SER H 0.000 . 5.000 3.670 3.550 3.806 . 0 0 "[ . 1 . 2 ]" 1
387 1 44 SER HA 1 45 LEU H 0.000 . 2.700 2.393 2.354 2.477 . 0 0 "[ . 1 . 2 ]" 1
388 1 44 SER QB 1 45 LEU H 0.000 . 3.500 2.925 2.394 3.252 . 0 0 "[ . 1 . 2 ]" 1
389 1 45 LEU HA 1 46 SER H 0.000 . 2.700 2.317 2.261 2.424 . 0 0 "[ . 1 . 2 ]" 1
390 1 45 LEU QB 1 46 SER H 0.000 . 5.000 4.027 3.921 4.057 . 0 0 "[ . 1 . 2 ]" 1
391 1 45 LEU HG 1 46 SER H 0.000 . 5.000 3.990 3.542 5.012 0.012 3 0 "[ . 1 . 2 ]" 1
392 1 45 LEU QD 1 46 SER H 0.000 . 3.500 3.211 2.740 3.540 0.040 2 0 "[ . 1 . 2 ]" 1
393 1 46 SER HA 1 47 ILE H 0.000 . 2.700 2.356 2.275 2.461 . 0 0 "[ . 1 . 2 ]" 1
394 1 46 SER HB2 1 47 ILE H 0.000 . 3.500 3.440 3.066 3.623 0.123 13 0 "[ . 1 . 2 ]" 1
395 1 46 SER HB3 1 47 ILE H 0.000 . 3.500 3.204 2.499 3.630 0.130 3 0 "[ . 1 . 2 ]" 1
396 1 47 ILE HA 1 48 ARG H 0.000 . 2.700 2.223 2.165 2.352 . 0 0 "[ . 1 . 2 ]" 1
397 1 47 ILE MG 1 48 ARG H 0.000 . 5.000 4.257 4.053 4.440 . 0 0 "[ . 1 . 2 ]" 1
398 1 47 ILE MD 1 48 ARG H 0.000 . 5.000 4.611 3.458 5.073 0.073 6 0 "[ . 1 . 2 ]" 1
399 1 48 ARG H 1 49 ASP H 0.000 . 5.000 4.548 4.205 4.671 . 0 0 "[ . 1 . 2 ]" 1
400 1 48 ARG HA 1 49 ASP H 0.000 . 2.700 2.234 2.199 2.302 . 0 0 "[ . 1 . 2 ]" 1
401 1 48 ARG QD 1 49 ASP H 0.000 . 3.500 2.605 1.850 3.523 0.023 8 0 "[ . 1 . 2 ]" 1
402 1 49 ASP HA 1 50 TRP H 0.000 . 2.700 2.359 2.174 2.790 0.090 17 0 "[ . 1 . 2 ]" 1
403 1 50 TRP H 1 51 ASP H 0.000 . 5.000 4.605 4.305 4.696 . 0 0 "[ . 1 . 2 ]" 1
404 1 50 TRP HE1 1 51 ASP H 0.000 . 5.000 3.884 3.638 4.205 . 0 0 "[ . 1 . 2 ]" 1
405 1 50 TRP HA 1 51 ASP H 0.000 . 2.700 2.420 2.339 2.497 . 0 0 "[ . 1 . 2 ]" 1
406 1 50 TRP HB3 1 51 ASP H 0.000 . 5.000 3.879 3.766 4.008 . 0 0 "[ . 1 . 2 ]" 1
407 1 50 TRP HB2 1 51 ASP H 0.000 . 5.000 3.718 3.595 3.875 . 0 0 "[ . 1 . 2 ]" 1
408 1 50 TRP HZ3 1 51 ASP H 0.000 . 5.000 5.046 4.927 5.109 0.109 14 0 "[ . 1 . 2 ]" 1
409 1 51 ASP H 1 52 ASP H 0.000 . 5.000 4.431 4.363 4.476 . 0 0 "[ . 1 . 2 ]" 1
410 1 52 ASP H 1 53 MET H 0.000 . 3.500 3.220 3.072 3.370 . 0 0 "[ . 1 . 2 ]" 1
411 1 52 ASP H 1 53 MET ME 0.000 . 5.000 2.754 1.753 4.589 . 0 0 "[ . 1 . 2 ]" 1
412 1 53 MET H 1 54 LYS H 0.000 . 2.700 1.949 1.775 2.266 . 0 0 "[ . 1 . 2 ]" 1
413 1 53 MET H 1 54 LYS HA 0.000 . 5.000 4.537 4.388 4.671 . 0 0 "[ . 1 . 2 ]" 1
414 1 53 MET H 1 54 LYS QG 0.000 . 5.000 2.926 2.578 3.268 . 0 0 "[ . 1 . 2 ]" 1
415 1 53 MET HA 1 54 LYS H 0.000 . 3.500 3.120 2.842 3.520 0.020 10 0 "[ . 1 . 2 ]" 1
416 1 53 MET HB3 1 54 LYS H 0.000 . 5.000 4.457 3.973 4.708 . 0 0 "[ . 1 . 2 ]" 1
417 1 53 MET HB2 1 54 LYS H 0.000 . 5.000 4.220 3.777 4.551 . 0 0 "[ . 1 . 2 ]" 1
418 1 53 MET ME 1 54 LYS H 0.000 . 3.500 3.446 3.093 3.600 0.100 21 0 "[ . 1 . 2 ]" 1
419 1 54 LYS H 1 55 GLY H 0.000 . 2.700 1.883 1.835 1.991 . 0 0 "[ . 1 . 2 ]" 1
420 1 54 LYS H 1 55 GLY HA3 0.000 . 5.000 4.449 4.320 4.713 . 0 0 "[ . 1 . 2 ]" 1
421 1 54 LYS QG 1 55 GLY H 0.000 . 3.500 2.247 1.861 2.954 . 0 0 "[ . 1 . 2 ]" 1
422 1 54 LYS HA 1 55 GLY H 0.000 . 3.500 3.496 3.350 3.535 0.035 14 0 "[ . 1 . 2 ]" 1
423 1 55 GLY H 1 56 ASP H 0.000 . 5.000 4.493 4.445 4.596 . 0 0 "[ . 1 . 2 ]" 1
424 1 55 GLY HA2 1 56 ASP H 0.000 . 2.700 2.774 2.747 2.842 0.142 21 0 "[ . 1 . 2 ]" 1
425 1 55 GLY HA3 1 56 ASP H 0.000 . 3.500 2.463 2.434 2.489 . 0 0 "[ . 1 . 2 ]" 1
426 1 56 ASP H 1 57 HIS H 0.000 . 5.000 4.629 4.576 4.670 . 0 0 "[ . 1 . 2 ]" 1
427 1 56 ASP HA 1 57 HIS H 0.000 . 2.700 2.492 2.421 2.563 . 0 0 "[ . 1 . 2 ]" 1
428 1 56 ASP HB3 1 57 HIS H 0.000 . 5.000 3.102 2.279 3.692 . 0 0 "[ . 1 . 2 ]" 1
429 1 56 ASP HB2 1 57 HIS H 0.000 . 3.500 2.837 2.209 3.775 0.275 6 0 "[ . 1 . 2 ]" 1
430 1 57 HIS HB3 1 58 VAL H 0.000 . 3.500 2.090 1.984 2.563 . 0 0 "[ . 1 . 2 ]" 1
431 1 57 HIS HB2 1 58 VAL H 0.000 . 3.500 3.543 3.508 3.636 0.136 22 0 "[ . 1 . 2 ]" 1
432 1 57 HIS H 1 58 VAL QG 0.000 . 5.000 4.131 3.661 4.782 . 0 0 "[ . 1 . 2 ]" 1
433 1 58 VAL HA 1 59 LYS H 0.000 . 2.700 2.226 2.145 2.430 . 0 0 "[ . 1 . 2 ]" 1
434 1 58 VAL QG 1 59 LYS H 0.000 . 3.500 2.526 1.791 2.913 . 0 0 "[ . 1 . 2 ]" 1
435 1 59 LYS HA 1 60 HIS H 0.000 . 2.700 2.730 2.297 2.804 0.104 17 0 "[ . 1 . 2 ]" 1
436 1 60 HIS H 1 61 TYR H 0.000 . 5.000 4.341 4.269 4.515 . 0 0 "[ . 1 . 2 ]" 1
437 1 60 HIS HA 1 61 TYR H 0.000 . 2.700 2.239 2.171 2.294 . 0 0 "[ . 1 . 2 ]" 1
438 1 60 HIS HB2 1 61 TYR H 0.000 . 3.500 3.594 3.550 3.629 0.129 20 0 "[ . 1 . 2 ]" 1
439 1 60 HIS HB3 1 61 TYR H 0.000 . 3.500 2.843 2.646 3.121 . 0 0 "[ . 1 . 2 ]" 1
440 1 61 TYR H 1 62 LYS H 0.000 . 5.000 3.888 3.698 4.088 . 0 0 "[ . 1 . 2 ]" 1
441 1 61 TYR HA 1 62 LYS H 0.000 . 2.700 2.244 2.171 2.281 . 0 0 "[ . 1 . 2 ]" 1
442 1 61 TYR QB 1 62 LYS H 0.000 . 5.000 3.735 3.547 3.816 . 0 0 "[ . 1 . 2 ]" 1
443 1 62 LYS H 1 63 ILE H 0.000 . 5.000 4.463 4.385 4.528 . 0 0 "[ . 1 . 2 ]" 1
444 1 62 LYS HA 1 63 ILE H 0.000 . 3.500 2.166 2.141 2.182 . 0 0 "[ . 1 . 2 ]" 1
445 1 63 ILE H 1 64 ARG H 0.000 . 5.000 4.533 4.314 4.639 . 0 0 "[ . 1 . 2 ]" 1
446 1 63 ILE HA 1 64 ARG H 0.000 . 2.700 2.250 2.154 2.418 . 0 0 "[ . 1 . 2 ]" 1
447 1 64 ARG H 1 65 LYS H 0.000 . 5.000 4.398 4.180 4.574 . 0 0 "[ . 1 . 2 ]" 1
448 1 64 ARG HA 1 65 LYS H 0.000 . 2.700 2.408 2.192 2.765 0.065 16 0 "[ . 1 . 2 ]" 1
449 1 64 ARG QD 1 65 LYS H 0.000 . 3.500 3.499 3.305 3.697 0.197 18 0 "[ . 1 . 2 ]" 1
450 1 65 LYS H 1 66 LEU H 0.000 . 5.000 4.348 4.071 4.524 . 0 0 "[ . 1 . 2 ]" 1
451 1 65 LYS H 1 66 LEU HA 0.000 . 5.000 4.878 4.529 5.130 0.130 11 0 "[ . 1 . 2 ]" 1
452 1 65 LYS H 1 66 LEU QD 0.000 . 5.000 4.204 3.669 4.838 . 0 0 "[ . 1 . 2 ]" 1
453 1 65 LYS HA 1 66 LEU H 0.000 . 2.700 2.184 2.137 2.287 . 0 0 "[ . 1 . 2 ]" 1
454 1 65 LYS HG3 1 66 LEU H 0.000 . 5.000 3.322 2.877 4.594 . 0 0 "[ . 1 . 2 ]" 1
455 1 65 LYS HG2 1 66 LEU H 0.000 . 5.000 2.975 2.170 3.914 . 0 0 "[ . 1 . 2 ]" 1
456 1 66 LEU H 1 67 ASP H 0.000 . 5.000 4.618 4.528 4.681 . 0 0 "[ . 1 . 2 ]" 1
457 1 66 LEU HA 1 67 ASP H 0.000 . 2.700 2.277 2.219 2.434 . 0 0 "[ . 1 . 2 ]" 1
458 1 66 LEU QB 1 67 ASP H 0.000 . 3.500 2.887 2.379 3.150 . 0 0 "[ . 1 . 2 ]" 1
459 1 66 LEU HG 1 67 ASP H 0.000 . 5.000 4.655 3.755 5.053 0.053 10 0 "[ . 1 . 2 ]" 1
460 1 66 LEU QD 1 67 ASP H 0.000 . 5.000 3.278 2.597 4.370 . 0 0 "[ . 1 . 2 ]" 1
461 1 67 ASP H 1 68 ASN H 0.000 . 3.500 2.386 2.373 2.407 . 0 0 "[ . 1 . 2 ]" 1
462 1 67 ASP H 1 68 ASN HD21 0.000 . 5.000 4.032 3.194 4.924 . 0 0 "[ . 1 . 2 ]" 1
463 1 67 ASP HA 1 68 ASN H 0.000 . 3.500 3.398 3.369 3.415 . 0 0 "[ . 1 . 2 ]" 1
464 1 67 ASP HB3 1 68 ASN H 0.000 . 3.500 3.545 3.526 3.585 0.085 21 0 "[ . 1 . 2 ]" 1
465 1 67 ASP HB2 1 68 ASN H 0.000 . 3.500 3.364 3.313 3.442 . 0 0 "[ . 1 . 2 ]" 1
466 1 68 ASN H 1 69 GLY H 0.000 . 2.700 2.340 2.165 2.447 . 0 0 "[ . 1 . 2 ]" 1
467 1 68 ASN H 1 69 GLY QA 0.000 . 5.000 4.335 4.246 4.373 . 0 0 "[ . 1 . 2 ]" 1
468 1 68 ASN HA 1 69 GLY H 0.000 . 3.500 3.362 3.294 3.414 . 0 0 "[ . 1 . 2 ]" 1
469 1 68 ASN QB 1 69 GLY H 0.000 . 3.500 3.224 3.110 3.334 . 0 0 "[ . 1 . 2 ]" 1
470 1 69 GLY H 1 70 GLY H 0.000 . 3.500 3.044 2.772 3.602 0.102 9 0 "[ . 1 . 2 ]" 1
471 1 69 GLY QA 1 70 GLY H 0.000 . 2.700 2.310 2.249 2.383 . 0 0 "[ . 1 . 2 ]" 1
472 1 70 GLY H 1 71 TYR H 0.000 . 3.500 3.472 3.302 3.620 0.120 10 0 "[ . 1 . 2 ]" 1
473 1 70 GLY H 1 71 TYR QD 0.000 . 5.000 4.753 4.153 5.087 0.087 13 0 "[ . 1 . 2 ]" 1
474 1 70 GLY QA 1 71 TYR H 0.000 . 2.700 2.286 2.112 2.506 . 0 0 "[ . 1 . 2 ]" 1
475 1 71 TYR QD 1 72 TYR H 0.000 . 3.500 3.550 3.356 3.672 0.172 21 0 "[ . 1 . 2 ]" 1
476 1 71 TYR HA 1 72 TYR H 0.000 . 2.700 2.270 2.158 2.513 . 0 0 "[ . 1 . 2 ]" 1
477 1 71 TYR HA 1 72 TYR QD 0.000 . 5.000 3.322 2.749 3.695 . 0 0 "[ . 1 . 2 ]" 1
478 1 71 TYR HA 1 72 TYR QE 0.000 . 5.000 4.822 4.498 5.055 0.055 12 0 "[ . 1 . 2 ]" 1
479 1 71 TYR HB3 1 72 TYR H 0.000 . 5.000 3.216 2.278 3.649 . 0 0 "[ . 1 . 2 ]" 1
480 1 71 TYR HB2 1 72 TYR H 0.000 . 5.000 4.248 3.583 4.536 . 0 0 "[ . 1 . 2 ]" 1
481 1 71 TYR H 1 72 TYR H 0.000 . 5.000 4.531 4.448 4.592 . 0 0 "[ . 1 . 2 ]" 1
482 1 72 TYR H 1 73 ILE H 0.000 . 5.000 4.189 3.886 4.302 . 0 0 "[ . 1 . 2 ]" 1
483 1 72 TYR H 1 73 ILE HA 0.000 . 5.000 4.589 4.387 4.731 . 0 0 "[ . 1 . 2 ]" 1
484 1 72 TYR QD 1 73 ILE H 0.000 . 5.000 4.049 3.885 4.346 . 0 0 "[ . 1 . 2 ]" 1
485 1 72 TYR HA 1 73 ILE H 0.000 . 3.500 2.240 2.217 2.276 . 0 0 "[ . 1 . 2 ]" 1
486 1 72 TYR HB2 1 73 ILE H 0.000 . 5.000 3.377 3.080 3.567 . 0 0 "[ . 1 . 2 ]" 1
487 1 72 TYR HB3 1 73 ILE H 0.000 . 5.000 4.369 4.247 4.487 . 0 0 "[ . 1 . 2 ]" 1
488 1 73 ILE H 1 74 THR H 0.000 . 3.500 2.147 1.923 2.216 . 0 0 "[ . 1 . 2 ]" 1
489 1 73 ILE HA 1 74 THR H 0.000 . 5.000 3.442 3.419 3.456 . 0 0 "[ . 1 . 2 ]" 1
490 1 73 ILE HA 1 74 THR MG 0.000 . 5.000 4.257 4.097 4.339 . 0 0 "[ . 1 . 2 ]" 1
491 1 73 ILE HB 1 74 THR H 0.000 . 3.500 2.977 2.849 3.116 . 0 0 "[ . 1 . 2 ]" 1
492 1 73 ILE QG 1 74 THR H 0.000 . 5.000 3.970 3.334 4.467 . 0 0 "[ . 1 . 2 ]" 1
493 1 73 ILE MG 1 74 THR H 0.000 . 5.000 3.635 3.160 4.199 . 0 0 "[ . 1 . 2 ]" 1
494 1 73 ILE MG 1 74 THR MG 0.000 . 5.000 2.848 2.029 3.637 . 0 0 "[ . 1 . 2 ]" 1
495 1 73 ILE MD 1 74 THR H 0.000 . 5.000 4.653 4.205 4.918 . 0 0 "[ . 1 . 2 ]" 1
496 1 74 THR HA 1 75 THR H 0.000 . 2.700 2.245 2.212 2.327 . 0 0 "[ . 1 . 2 ]" 1
497 1 74 THR HB 1 75 THR H 0.000 . 3.500 3.645 3.589 3.675 0.175 5 0 "[ . 1 . 2 ]" 1
498 1 74 THR MG 1 75 THR H 0.000 . 5.000 4.269 4.152 4.294 . 0 0 "[ . 1 . 2 ]" 1
499 1 75 THR H 1 76 ARG H 0.000 . 3.500 2.786 2.710 2.843 . 0 0 "[ . 1 . 2 ]" 1
500 1 75 THR MG 1 76 ARG H 0.000 . 5.000 4.132 4.011 4.381 . 0 0 "[ . 1 . 2 ]" 1
501 1 75 THR HA 1 76 ARG H 0.000 . 3.500 3.342 3.268 3.418 . 0 0 "[ . 1 . 2 ]" 1
502 1 76 ARG H 1 77 ALA H 0.000 . 3.500 2.528 2.313 2.868 . 0 0 "[ . 1 . 2 ]" 1
503 1 76 ARG H 1 77 ALA MB 0.000 . 5.000 4.380 4.054 4.827 . 0 0 "[ . 1 . 2 ]" 1
504 1 76 ARG HA 1 77 ALA H 0.000 . 3.500 3.439 3.342 3.539 0.039 13 0 "[ . 1 . 2 ]" 1
505 1 77 ALA H 1 78 GLN HA 0.000 . 5.000 4.666 4.535 4.776 . 0 0 "[ . 1 . 2 ]" 1
506 1 77 ALA HA 1 78 GLN H 0.000 . 2.700 2.190 2.170 2.247 . 0 0 "[ . 1 . 2 ]" 1
507 1 77 ALA MB 1 78 GLN H 0.000 . 3.500 3.244 3.067 3.514 0.014 1 0 "[ . 1 . 2 ]" 1
508 1 78 GLN H 1 79 PHE H 0.000 . 5.000 4.462 4.374 4.531 . 0 0 "[ . 1 . 2 ]" 1
509 1 78 GLN HA 1 79 PHE H 0.000 . 2.700 2.565 2.404 2.737 0.037 19 0 "[ . 1 . 2 ]" 1
510 1 78 GLN HA 1 79 PHE QD 0.000 . 5.000 2.806 2.618 3.705 . 0 0 "[ . 1 . 2 ]" 1
511 1 78 GLN HG3 1 79 PHE H 0.000 . 5.000 4.618 4.131 5.094 0.094 10 0 "[ . 1 . 2 ]" 1
512 1 78 GLN HG2 1 79 PHE H 0.000 . 5.000 4.493 4.241 4.920 . 0 0 "[ . 1 . 2 ]" 1
513 1 78 GLN QB 1 79 PHE H 0.000 . 3.500 2.334 2.137 2.637 . 0 0 "[ . 1 . 2 ]" 1
514 1 79 PHE QD 1 80 GLU H 0.000 . 3.500 3.528 3.428 3.663 0.163 10 0 "[ . 1 . 2 ]" 1
515 1 79 PHE HA 1 80 GLU H 0.000 . 2.700 2.693 2.097 2.858 0.158 1 0 "[ . 1 . 2 ]" 1
516 1 79 PHE H 1 80 GLU H 0.000 . 5.000 4.279 4.056 4.402 . 0 0 "[ . 1 . 2 ]" 1
517 1 79 PHE QB 1 80 GLU H 0.000 . 3.500 2.053 1.781 3.407 . 0 0 "[ . 1 . 2 ]" 1
518 1 80 GLU H 1 81 THR H 0.000 . 3.500 2.331 2.060 3.215 . 0 0 "[ . 1 . 2 ]" 1
519 1 80 GLU HA 1 81 THR H 0.000 . 5.000 3.535 3.467 3.585 . 0 0 "[ . 1 . 2 ]" 1
520 1 80 GLU HG3 1 81 THR H 0.000 . 3.500 2.834 1.844 3.506 0.006 17 0 "[ . 1 . 2 ]" 1
521 1 80 GLU HG2 1 81 THR H 0.000 . 3.500 2.477 1.837 3.527 0.027 4 0 "[ . 1 . 2 ]" 1
522 1 80 GLU QB 1 81 THR H 0.000 . 3.500 3.505 3.269 3.584 0.084 15 0 "[ . 1 . 2 ]" 1
523 1 81 THR H 1 82 LEU H 0.000 . 5.000 4.420 4.391 4.458 . 0 0 "[ . 1 . 2 ]" 1
524 1 81 THR HA 1 82 LEU H 0.000 . 3.500 2.586 2.527 2.659 . 0 0 "[ . 1 . 2 ]" 1
525 1 81 THR MG 1 82 LEU H 0.000 . 3.500 3.658 3.602 3.691 0.191 5 0 "[ . 1 . 2 ]" 1
526 1 81 THR HG1 1 82 LEU H 0.000 . 5.000 2.729 2.652 2.814 . 0 0 "[ . 1 . 2 ]" 1
527 1 82 LEU H 1 83 GLN H 0.000 . 3.500 2.359 2.323 2.410 . 0 0 "[ . 1 . 2 ]" 1
528 1 82 LEU H 1 83 GLN HA 0.000 . 5.000 5.066 5.037 5.104 0.104 7 0 "[ . 1 . 2 ]" 1
529 1 82 LEU HA 1 83 GLN H 0.000 . 5.000 3.509 3.491 3.528 . 0 0 "[ . 1 . 2 ]" 1
530 1 82 LEU QB 1 83 GLN H 0.000 . 3.500 2.758 2.645 2.873 . 0 0 "[ . 1 . 2 ]" 1
531 1 82 LEU HG 1 83 GLN H 0.000 . 5.000 4.554 4.199 4.873 . 0 0 "[ . 1 . 2 ]" 1
532 1 82 LEU MD2 1 83 GLN H 0.000 . 5.000 4.769 4.522 5.002 0.002 6 0 "[ . 1 . 2 ]" 1
533 1 82 LEU MD1 1 83 GLN H 0.000 . 5.000 4.400 3.506 4.862 . 0 0 "[ . 1 . 2 ]" 1
534 1 83 GLN H 1 84 GLN H 0.000 . 3.500 2.471 2.396 2.597 . 0 0 "[ . 1 . 2 ]" 1
535 1 83 GLN HA 1 84 GLN H 0.000 . 3.500 3.508 3.457 3.570 0.070 5 0 "[ . 1 . 2 ]" 1
536 1 84 GLN H 1 85 LEU H 0.000 . 3.500 2.541 2.424 2.698 . 0 0 "[ . 1 . 2 ]" 1
537 1 84 GLN HA 1 85 LEU H 0.000 . 3.500 3.529 3.492 3.569 0.069 17 0 "[ . 1 . 2 ]" 1
538 1 84 GLN QB 1 85 LEU H 0.000 . 3.500 2.731 2.473 2.895 . 0 0 "[ . 1 . 2 ]" 1
539 1 84 GLN QG 1 85 LEU H 0.000 . 5.000 4.551 4.314 4.642 . 0 0 "[ . 1 . 2 ]" 1
540 1 85 LEU H 1 86 VAL HA 0.000 . 5.000 5.126 5.081 5.177 0.177 16 0 "[ . 1 . 2 ]" 1
541 1 85 LEU H 1 86 VAL MG1 0.000 . 5.000 3.914 3.704 4.136 . 0 0 "[ . 1 . 2 ]" 1
542 1 85 LEU H 1 86 VAL MG2 0.000 . 5.000 3.771 3.438 4.196 . 0 0 "[ . 1 . 2 ]" 1
543 1 85 LEU HA 1 86 VAL MG1 0.000 . 5.000 4.839 4.674 5.016 0.016 8 0 "[ . 1 . 2 ]" 1
544 1 85 LEU MD2 1 86 VAL H 0.000 . 5.000 3.396 3.130 3.541 . 0 0 "[ . 1 . 2 ]" 1
545 1 85 LEU MD1 1 86 VAL H 0.000 . 3.500 3.547 3.460 3.612 0.112 10 0 "[ . 1 . 2 ]" 1
546 1 85 LEU MD1 1 86 VAL HB 0.000 . 5.000 4.737 4.526 4.998 . 0 0 "[ . 1 . 2 ]" 1
547 1 85 LEU MD1 1 86 VAL MG2 0.000 . 5.000 4.572 4.293 4.823 . 0 0 "[ . 1 . 2 ]" 1
548 1 87 GLN HA 1 88 HIS H 0.000 . 3.500 3.535 3.516 3.556 0.056 22 0 "[ . 1 . 2 ]" 1
549 1 87 GLN QG 1 88 HIS H 0.000 . 3.500 3.598 3.576 3.614 0.114 22 0 "[ . 1 . 2 ]" 1
550 1 87 GLN HB3 1 88 HIS H 0.000 . 3.500 2.395 2.363 2.424 . 0 0 "[ . 1 . 2 ]" 1
551 1 87 GLN HB2 1 88 HIS H 0.000 . 3.500 3.684 3.658 3.711 0.211 17 0 "[ . 1 . 2 ]" 1
552 1 88 HIS H 1 89 TYR H 0.000 . 2.700 2.433 2.289 2.565 . 0 0 "[ . 1 . 2 ]" 1
553 1 88 HIS H 1 89 TYR HA 0.000 . 5.000 5.130 5.025 5.212 0.212 7 0 "[ . 1 . 2 ]" 1
554 1 88 HIS H 1 89 TYR QE 0.000 . 5.000 5.118 5.060 5.188 0.188 20 0 "[ . 1 . 2 ]" 1
555 1 88 HIS HA 1 89 TYR H 0.000 . 3.500 3.495 3.456 3.527 0.027 16 0 "[ . 1 . 2 ]" 1
556 1 88 HIS HB2 1 89 TYR H 0.000 . 3.500 3.570 3.517 3.592 0.092 17 0 "[ . 1 . 2 ]" 1
557 1 88 HIS HB3 1 89 TYR H 0.000 . 3.500 2.545 2.291 2.736 . 0 0 "[ . 1 . 2 ]" 1
558 1 89 TYR H 1 90 SER H 0.000 . 3.500 2.491 2.424 2.618 . 0 0 "[ . 1 . 2 ]" 1
559 1 89 TYR HB3 1 90 SER H 0.000 . 5.000 3.958 3.802 4.083 . 0 0 "[ . 1 . 2 ]" 1
560 1 89 TYR HB2 1 90 SER H 0.000 . 5.000 3.168 2.941 3.353 . 0 0 "[ . 1 . 2 ]" 1
561 1 89 TYR HA 1 90 SER H 0.000 . 3.500 3.418 3.364 3.477 . 0 0 "[ . 1 . 2 ]" 1
562 1 90 SER H 1 91 GLU QB 0.000 . 5.000 4.806 4.431 5.001 0.001 7 0 "[ . 1 . 2 ]" 1
563 1 90 SER H 1 91 GLU HG3 0.000 . 5.000 4.586 4.160 4.977 . 0 0 "[ . 1 . 2 ]" 1
564 1 90 SER H 1 91 GLU HG2 0.000 . 5.000 4.682 3.902 4.993 . 0 0 "[ . 1 . 2 ]" 1
565 1 90 SER HA 1 91 GLU H 0.000 . 3.500 3.504 3.424 3.545 0.045 2 0 "[ . 1 . 2 ]" 1
566 1 90 SER HB3 1 91 GLU H 0.000 . 3.500 3.080 2.691 3.510 0.010 17 0 "[ . 1 . 2 ]" 1
567 1 90 SER HB2 1 91 GLU H 0.000 . 3.500 3.182 2.868 3.424 . 0 0 "[ . 1 . 2 ]" 1
568 1 91 GLU H 1 92 ARG HB2 0.000 . 5.000 4.893 4.412 5.839 0.839 14 1 "[ . 1 +. 2 ]" 1
569 1 91 GLU H 1 92 ARG HG2 0.000 . 5.000 4.505 3.515 5.014 0.014 13 0 "[ . 1 . 2 ]" 1
570 1 91 GLU H 1 92 ARG HG3 0.000 . 5.000 3.791 3.388 4.717 . 0 0 "[ . 1 . 2 ]" 1
571 1 91 GLU HA 1 92 ARG H 0.000 . 3.500 3.409 3.348 3.455 . 0 0 "[ . 1 . 2 ]" 1
572 1 91 GLU QB 1 92 ARG H 0.000 . 3.500 3.225 2.986 3.634 0.134 18 0 "[ . 1 . 2 ]" 1
573 1 91 GLU HG3 1 92 ARG H 0.000 . 5.000 4.232 2.017 4.848 . 0 0 "[ . 1 . 2 ]" 1
574 1 91 GLU HG2 1 92 ARG H 0.000 . 5.000 4.361 3.089 4.643 . 0 0 "[ . 1 . 2 ]" 1
575 1 92 ARG H 1 93 ALA H 0.000 . 5.000 4.431 4.336 4.490 . 0 0 "[ . 1 . 2 ]" 1
576 1 92 ARG HA 1 93 ALA H 0.000 . 2.700 2.360 2.199 2.507 . 0 0 "[ . 1 . 2 ]" 1
577 1 92 ARG HA 1 93 ALA MB 0.000 . 5.000 4.104 4.031 4.189 . 0 0 "[ . 1 . 2 ]" 1
578 1 92 ARG HB3 1 93 ALA H 0.000 . 3.500 2.890 2.433 3.602 0.102 14 0 "[ . 1 . 2 ]" 1
579 1 92 ARG HB2 1 93 ALA H 0.000 . 3.500 3.445 2.258 3.585 0.085 10 0 "[ . 1 . 2 ]" 1
580 1 92 ARG HG2 1 93 ALA H 0.000 . 5.000 4.698 4.463 4.928 . 0 0 "[ . 1 . 2 ]" 1
581 1 93 ALA H 1 94 ALA H 0.000 . 3.500 2.510 2.269 2.806 . 0 0 "[ . 1 . 2 ]" 1
582 1 93 ALA HA 1 94 ALA H 0.000 . 3.500 3.523 3.469 3.555 0.055 17 0 "[ . 1 . 2 ]" 1
583 1 93 ALA MB 1 94 ALA HA 0.000 . 5.000 4.370 4.172 4.567 . 0 0 "[ . 1 . 2 ]" 1
584 1 94 ALA H 1 95 GLY HA3 0.000 . 5.000 5.043 4.698 5.122 0.122 14 0 "[ . 1 . 2 ]" 1
585 1 94 ALA H 1 95 GLY HA2 0.000 . 5.000 4.607 4.300 4.742 . 0 0 "[ . 1 . 2 ]" 1
586 1 94 ALA HA 1 95 GLY H 0.000 . 3.500 3.399 3.142 3.514 0.014 17 0 "[ . 1 . 2 ]" 1
587 1 95 GLY H 1 96 LEU H 0.000 . 3.500 2.218 1.872 2.931 . 0 0 "[ . 1 . 2 ]" 1
588 1 95 GLY H 1 96 LEU HG 0.000 . 5.000 4.350 3.232 5.016 0.016 5 0 "[ . 1 . 2 ]" 1
589 1 95 GLY HA3 1 96 LEU H 0.000 . 3.500 3.156 2.762 3.399 . 0 0 "[ . 1 . 2 ]" 1
590 1 95 GLY HA2 1 96 LEU H 0.000 . 3.500 3.427 3.224 3.571 0.071 13 0 "[ . 1 . 2 ]" 1
591 1 96 LEU H 1 97 SER H 0.000 . 5.000 4.426 3.693 4.643 . 0 0 "[ . 1 . 2 ]" 1
592 1 96 LEU QB 1 97 SER H 0.000 . 5.000 2.115 1.727 2.773 . 0 0 "[ . 1 . 2 ]" 1
593 1 96 LEU HG 1 97 SER H 0.000 . 3.500 3.018 2.080 3.608 0.108 3 0 "[ . 1 . 2 ]" 1
594 1 96 LEU QD 1 97 SER H 0.000 . 5.000 3.041 1.831 3.773 . 0 0 "[ . 1 . 2 ]" 1
595 1 96 LEU HA 1 97 SER H 0.000 . 3.500 2.726 2.327 3.374 . 0 0 "[ . 1 . 2 ]" 1
596 1 97 SER H 1 98 SER H 0.000 . 3.500 2.791 2.147 3.119 . 0 0 "[ . 1 . 2 ]" 1
597 1 97 SER HA 1 98 SER H 0.000 . 3.500 3.480 2.865 3.584 0.084 19 0 "[ . 1 . 2 ]" 1
598 1 97 SER QB 1 98 SER H 0.000 . 5.000 2.877 2.191 4.051 . 0 0 "[ . 1 . 2 ]" 1
599 1 98 SER H 1 99 ARG H 0.000 . 5.000 4.086 2.984 4.438 . 0 0 "[ . 1 . 2 ]" 1
600 1 98 SER HA 1 99 ARG H 0.000 . 2.700 2.426 2.170 2.727 0.027 1 0 "[ . 1 . 2 ]" 1
601 1 98 SER HB3 1 99 ARG H 0.000 . 5.000 3.420 1.924 4.651 . 0 0 "[ . 1 . 2 ]" 1
602 1 98 SER HB2 1 99 ARG H 0.000 . 5.000 3.728 2.466 4.659 . 0 0 "[ . 1 . 2 ]" 1
603 1 99 ARG HA 1 100 LEU H 0.000 . 3.500 2.749 2.240 3.332 . 0 0 "[ . 1 . 2 ]" 1
604 1 99 ARG QB 1 100 LEU H 0.000 . 5.000 2.317 1.809 3.840 . 0 0 "[ . 1 . 2 ]" 1
605 1 101 VAL HA 1 102 VAL HA 0.000 . 5.000 4.461 4.379 4.837 . 0 0 "[ . 1 . 2 ]" 1
606 1 101 VAL HA 1 102 VAL HB 0.000 . 5.000 4.835 4.179 5.214 0.214 18 0 "[ . 1 . 2 ]" 1
607 1 101 VAL HB 1 102 VAL H 0.000 . 5.000 3.899 2.924 4.666 . 0 0 "[ . 1 . 2 ]" 1
608 1 101 VAL QG 1 102 VAL H 0.000 . 5.000 3.070 1.647 3.711 . 0 0 "[ . 1 . 2 ]" 1
609 1 103 PRO HA 1 104 SER H 0.000 . 5.000 3.251 2.365 3.593 . 0 0 "[ . 1 . 2 ]" 1
610 1 104 SER HA 1 105 HIS H 0.000 . 2.700 2.563 2.189 2.799 0.099 19 0 "[ . 1 . 2 ]" 1
611 1 104 SER HB2 1 105 HIS H 0.000 . 5.000 4.376 3.099 4.686 . 0 0 "[ . 1 . 2 ]" 1
612 1 105 HIS H 1 106 LYS H 0.000 . 5.000 3.433 2.610 4.624 . 0 0 "[ . 1 . 2 ]" 1
613 1 105 HIS HD2 1 106 LYS H 0.000 . 3.500 3.064 1.901 3.560 0.060 14 0 "[ . 1 . 2 ]" 1
614 1 2 ILE HA 1 7 TRP HH2 0.000 . 5.000 4.048 1.869 5.013 0.013 14 0 "[ . 1 . 2 ]" 1
615 1 2 ILE MG 1 7 TRP HH2 0.000 . 5.000 2.806 1.833 4.578 . 0 0 "[ . 1 . 2 ]" 1
616 1 3 GLN H 1 7 TRP HH2 0.000 . 3.500 3.251 2.406 3.516 0.016 11 0 "[ . 1 . 2 ]" 1
617 1 4 ALA MB 1 8 TYR QD 0.000 . 5.000 3.100 1.812 5.101 0.101 9 0 "[ . 1 . 2 ]" 1
618 1 6 GLU HA 1 8 TYR H 0.000 . 5.000 4.391 3.748 4.899 . 0 0 "[ . 1 . 2 ]" 1
619 1 7 TRP H 1 9 PHE QD 0.000 . 5.000 4.947 4.028 5.123 0.123 9 0 "[ . 1 . 2 ]" 1
620 1 8 TYR QD 1 10 GLY H 0.000 . 5.000 3.373 2.246 3.759 . 0 0 "[ . 1 . 2 ]" 1
621 1 8 TYR QE 1 10 GLY H 0.000 . 5.000 3.392 2.463 3.919 . 0 0 "[ . 1 . 2 ]" 1
622 1 8 TYR QE 1 10 GLY HA3 0.000 . 5.000 3.622 3.120 4.079 . 0 0 "[ . 1 . 2 ]" 1
623 1 8 TYR QE 1 10 GLY HA2 0.000 . 5.000 2.290 2.053 2.773 . 0 0 "[ . 1 . 2 ]" 1
624 1 8 TYR HB2 1 10 GLY H 0.000 . 5.000 5.029 4.938 5.082 0.082 12 0 "[ . 1 . 2 ]" 1
625 1 8 TYR QE 1 11 LYS H 0.000 . 5.000 4.863 3.983 5.065 0.065 5 0 "[ . 1 . 2 ]" 1
626 1 9 PHE H 1 12 LEU QD 0.000 . 5.000 4.608 4.220 4.880 . 0 0 "[ . 1 . 2 ]" 1
627 1 9 PHE HB3 1 12 LEU H 0.000 . 5.000 5.051 5.022 5.083 0.083 17 0 "[ . 1 . 2 ]" 1
628 1 9 PHE HB3 1 12 LEU QD 0.000 . 5.000 2.891 2.423 3.218 . 0 0 "[ . 1 . 2 ]" 1
629 1 9 PHE HB2 1 12 LEU H 0.000 . 5.000 4.614 4.317 5.020 0.020 18 0 "[ . 1 . 2 ]" 1
630 1 9 PHE QD 1 12 LEU QD 0.000 . 2.700 2.344 2.045 2.686 . 0 0 "[ . 1 . 2 ]" 1
631 1 10 GLY HA3 1 12 LEU H 0.000 . 5.000 4.557 4.340 4.744 . 0 0 "[ . 1 . 2 ]" 1
632 1 10 GLY H 1 12 LEU QD 0.000 . 5.000 4.498 3.930 4.830 . 0 0 "[ . 1 . 2 ]" 1
633 1 12 LEU HG 1 16 ASP HB2 0.000 . 5.000 2.986 2.156 4.849 . 0 0 "[ . 1 . 2 ]" 1
634 1 12 LEU HG 1 16 ASP HB3 0.000 . 5.000 2.032 1.706 3.694 . 0 0 "[ . 1 . 2 ]" 1
635 1 12 LEU QD 1 16 ASP H 0.000 . 3.500 3.393 3.248 3.464 . 0 0 "[ . 1 . 2 ]" 1
636 1 12 LEU QD 1 16 ASP HB2 0.000 . 3.500 2.445 1.928 3.017 . 0 0 "[ . 1 . 2 ]" 1
637 1 12 LEU QD 1 16 ASP HB3 0.000 . 3.500 1.761 1.608 1.841 . 0 0 "[ . 1 . 2 ]" 1
638 1 13 GLY H 1 16 ASP HB2 0.000 . 5.000 2.983 2.273 3.600 . 0 0 "[ . 1 . 2 ]" 1
639 1 13 GLY H 1 16 ASP HB3 0.000 . 3.500 3.036 2.739 3.186 . 0 0 "[ . 1 . 2 ]" 1
640 1 13 GLY H 1 16 ASP H 0.000 . 3.500 3.529 3.409 3.585 0.085 21 0 "[ . 1 . 2 ]" 1
641 1 13 GLY H 1 17 ALA H 0.000 . 5.000 4.176 3.198 4.794 . 0 0 "[ . 1 . 2 ]" 1
642 1 14 ARG H 1 16 ASP H 0.000 . 5.000 4.194 4.100 4.656 . 0 0 "[ . 1 . 2 ]" 1
643 1 14 ARG H 1 17 ALA MB 0.000 . 5.000 4.645 4.381 4.985 . 0 0 "[ . 1 . 2 ]" 1
644 1 14 ARG HA 1 16 ASP H 0.000 . 5.000 4.247 3.995 4.487 . 0 0 "[ . 1 . 2 ]" 1
645 1 14 ARG HA 1 17 ALA H 0.000 . 5.000 3.352 3.167 3.512 . 0 0 "[ . 1 . 2 ]" 1
646 1 14 ARG HA 1 17 ALA MB 0.000 . 2.700 2.412 2.076 2.702 0.002 18 0 "[ . 1 . 2 ]" 1
647 1 14 ARG QB 1 18 GLU QG 0.000 . 5.000 4.583 3.784 5.014 0.014 11 0 "[ . 1 . 2 ]" 1
648 1 15 LYS HA 1 17 ALA H 0.000 . 5.000 4.379 3.855 4.888 . 0 0 "[ . 1 . 2 ]" 1
649 1 16 ASP H 1 19 ARG H 0.000 . 5.000 4.682 4.468 4.949 . 0 0 "[ . 1 . 2 ]" 1
650 1 16 ASP HA 1 18 GLU H 0.000 . 5.000 4.359 4.095 4.728 . 0 0 "[ . 1 . 2 ]" 1
651 1 16 ASP HA 1 19 ARG H 0.000 . 3.500 3.224 2.879 3.533 0.033 21 0 "[ . 1 . 2 ]" 1
652 1 16 ASP HA 1 19 ARG QB 0.000 . 3.500 2.458 1.881 3.125 . 0 0 "[ . 1 . 2 ]" 1
653 1 16 ASP HA 1 19 ARG QD 0.000 . 5.000 4.547 3.191 5.026 0.026 11 0 "[ . 1 . 2 ]" 1
654 1 16 ASP HA 1 20 GLN H 0.000 . 5.000 3.862 3.251 4.303 . 0 0 "[ . 1 . 2 ]" 1
655 1 17 ALA H 1 19 ARG H 0.000 . 5.000 4.002 3.676 4.258 . 0 0 "[ . 1 . 2 ]" 1
656 1 17 ALA MB 1 19 ARG H 0.000 . 5.000 4.386 4.162 4.643 . 0 0 "[ . 1 . 2 ]" 1
657 1 18 GLU QB 1 22 LEU H 0.000 . 5.000 4.714 4.371 5.026 0.026 19 0 "[ . 1 . 2 ]" 1
658 1 19 ARG H 1 21 LEU H 0.000 . 5.000 4.186 3.712 5.048 0.048 7 0 "[ . 1 . 2 ]" 1
659 1 20 GLN H 1 22 LEU H 0.000 . 5.000 4.420 3.625 5.026 0.026 14 0 "[ . 1 . 2 ]" 1
660 1 21 LEU H 1 23 SER H 0.000 . 5.000 3.929 3.408 5.014 0.014 14 0 "[ . 1 . 2 ]" 1
661 1 24 PHE HA 1 26 ASN H 0.000 . 5.000 4.501 3.400 5.006 0.006 3 0 "[ . 1 . 2 ]" 1
662 1 26 ASN HA 1 30 THR MG 0.000 . 5.000 4.523 2.194 5.003 0.003 18 0 "[ . 1 . 2 ]" 1
663 1 26 ASN H 1 30 THR MG 0.000 . 5.000 4.446 3.531 5.004 0.004 9 0 "[ . 1 . 2 ]" 1
664 1 36 SER HB2 1 38 THR H 0.000 . 5.000 3.389 3.215 3.629 . 0 0 "[ . 1 . 2 ]" 1
665 1 36 SER HB2 1 39 THR H 0.000 . 3.500 3.584 3.523 3.647 0.147 19 0 "[ . 1 . 2 ]" 1
666 1 36 SER HB3 1 39 THR H 0.000 . 3.500 3.492 2.960 3.579 0.079 7 0 "[ . 1 . 2 ]" 1
667 1 36 SER HA 1 38 THR H 0.000 . 5.000 3.553 3.402 4.119 . 0 0 "[ . 1 . 2 ]" 1
668 1 37 GLU H 1 39 THR H 0.000 . 5.000 4.682 3.947 4.852 . 0 0 "[ . 1 . 2 ]" 1
669 1 37 GLU QB 1 39 THR H 0.000 . 5.000 5.162 5.127 5.197 0.197 20 0 "[ . 1 . 2 ]" 1
670 1 38 THR H 1 41 GLY HA2 0.000 . 5.000 5.097 5.067 5.126 0.126 17 0 "[ . 1 . 2 ]" 1
671 1 38 THR MG 1 40 LYS H 0.000 . 5.000 4.988 4.908 5.040 0.040 17 0 "[ . 1 . 2 ]" 1
672 1 38 THR MG 1 41 GLY H 0.000 . 5.000 4.979 4.770 5.054 0.054 14 0 "[ . 1 . 2 ]" 1
673 1 39 THR H 1 42 ALA MB 0.000 . 3.500 3.556 3.505 3.614 0.114 22 0 "[ . 1 . 2 ]" 1
674 1 39 THR MG 1 41 GLY H 0.000 . 5.000 1.726 1.705 1.773 . 0 0 "[ . 1 . 2 ]" 1
675 1 39 THR MG 1 42 ALA H 0.000 . 2.700 1.943 1.768 2.782 0.082 14 0 "[ . 1 . 2 ]" 1
676 1 40 LYS H 1 42 ALA H 0.000 . 5.000 4.897 4.586 4.984 . 0 0 "[ . 1 . 2 ]" 1
677 1 40 LYS QB 1 42 ALA H 0.000 . 5.000 4.949 4.738 5.014 0.014 4 0 "[ . 1 . 2 ]" 1
678 1 50 TRP HE1 1 53 MET H 0.000 . 5.000 5.038 4.970 5.071 0.071 5 0 "[ . 1 . 2 ]" 1
679 1 50 TRP HE3 1 52 ASP H 0.000 . 5.000 4.525 4.382 4.645 . 0 0 "[ . 1 . 2 ]" 1
680 1 50 TRP HH2 1 52 ASP HA 0.000 . 3.500 2.587 2.174 3.207 . 0 0 "[ . 1 . 2 ]" 1
681 1 50 TRP HH2 1 52 ASP H 0.000 . 5.000 3.218 2.994 3.359 . 0 0 "[ . 1 . 2 ]" 1
682 1 50 TRP HH2 1 52 ASP HB3 0.000 . 3.500 2.403 1.824 3.412 . 0 0 "[ . 1 . 2 ]" 1
683 1 50 TRP HH2 1 52 ASP HB2 0.000 . 3.500 2.549 1.871 3.502 0.002 13 0 "[ . 1 . 2 ]" 1
684 1 50 TRP HZ2 1 52 ASP HA 0.000 . 2.700 1.990 1.851 2.158 . 0 0 "[ . 1 . 2 ]" 1
685 1 50 TRP HZ2 1 52 ASP H 0.000 . 5.000 4.281 3.776 4.617 . 0 0 "[ . 1 . 2 ]" 1
686 1 50 TRP HZ2 1 52 ASP HB3 0.000 . 5.000 3.875 2.344 4.833 . 0 0 "[ . 1 . 2 ]" 1
687 1 50 TRP HZ2 1 52 ASP HB2 0.000 . 5.000 3.741 3.537 4.124 . 0 0 "[ . 1 . 2 ]" 1
688 1 50 TRP HZ3 1 52 ASP H 0.000 . 5.000 3.374 3.095 3.608 . 0 0 "[ . 1 . 2 ]" 1
689 1 50 TRP HZ3 1 52 ASP HA 0.000 . 5.000 4.425 4.010 5.006 0.006 14 0 "[ . 1 . 2 ]" 1
690 1 51 ASP H 1 53 MET H 0.000 . 5.000 4.140 4.039 4.227 . 0 0 "[ . 1 . 2 ]" 1
691 1 51 ASP H 1 55 GLY H 0.000 . 3.500 3.247 3.176 3.304 . 0 0 "[ . 1 . 2 ]" 1
692 1 51 ASP H 1 54 LYS QG 0.000 . 3.500 3.338 3.109 3.532 0.032 21 0 "[ . 1 . 2 ]" 1
693 1 51 ASP H 1 54 LYS H 0.000 . 5.000 4.451 3.894 4.686 . 0 0 "[ . 1 . 2 ]" 1
694 1 52 ASP H 1 54 LYS QG 0.000 . 5.000 4.962 4.769 5.037 0.037 19 0 "[ . 1 . 2 ]" 1
695 1 53 MET H 1 55 GLY H 0.000 . 3.500 2.904 2.565 3.098 . 0 0 "[ . 1 . 2 ]" 1
696 1 53 MET HA 1 55 GLY H 0.000 . 5.000 4.823 4.592 5.008 0.008 19 0 "[ . 1 . 2 ]" 1
697 1 53 MET ME 1 55 GLY H 0.000 . 5.000 4.203 3.619 4.711 . 0 0 "[ . 1 . 2 ]" 1
698 1 58 VAL QG 1 60 HIS HE1 0.000 . 3.500 2.190 1.887 2.596 . 0 0 "[ . 1 . 2 ]" 1
699 1 65 LYS HG3 1 69 GLY H 0.000 . 5.000 5.042 4.943 5.141 0.141 21 0 "[ . 1 . 2 ]" 1
700 1 65 LYS HG2 1 69 GLY H 0.000 . 5.000 4.414 3.748 5.122 0.122 21 0 "[ . 1 . 2 ]" 1
701 1 66 LEU H 1 70 GLY H 0.000 . 5.000 2.811 2.118 4.241 . 0 0 "[ . 1 . 2 ]" 1
702 1 66 LEU H 1 70 GLY QA 0.000 . 5.000 3.374 2.652 4.008 . 0 0 "[ . 1 . 2 ]" 1
703 1 66 LEU HA 1 68 ASN H 0.000 . 3.500 3.617 3.433 3.790 0.290 9 0 "[ . 1 . 2 ]" 1
704 1 66 LEU QB 1 68 ASN H 0.000 . 3.500 2.214 2.048 2.506 . 0 0 "[ . 1 . 2 ]" 1
705 1 66 LEU HG 1 68 ASN H 0.000 . 5.000 4.503 4.087 5.098 0.098 7 0 "[ . 1 . 2 ]" 1
706 1 66 LEU HG 1 69 GLY H 0.000 . 5.000 5.053 5.028 5.113 0.113 13 0 "[ . 1 . 2 ]" 1
707 1 66 LEU QD 1 68 ASN H 0.000 . 5.000 3.812 3.519 4.010 . 0 0 "[ . 1 . 2 ]" 1
708 1 66 LEU H 1 69 GLY H 0.000 . 5.000 4.120 3.607 4.370 . 0 0 "[ . 1 . 2 ]" 1
709 1 66 LEU H 1 69 GLY QA 0.000 . 5.000 4.475 3.992 4.855 . 0 0 "[ . 1 . 2 ]" 1
710 1 66 LEU QB 1 69 GLY H 0.000 . 2.700 2.549 2.316 2.628 . 0 0 "[ . 1 . 2 ]" 1
711 1 66 LEU QD 1 69 GLY H 0.000 . 5.000 4.016 3.272 4.239 . 0 0 "[ . 1 . 2 ]" 1
712 1 66 LEU QB 1 70 GLY H 0.000 . 3.500 2.578 2.086 3.340 . 0 0 "[ . 1 . 2 ]" 1
713 1 66 LEU QD 1 70 GLY H 0.000 . 3.500 3.126 1.828 3.523 0.023 9 0 "[ . 1 . 2 ]" 1
714 1 67 ASP H 1 69 GLY H 0.000 . 5.000 3.904 3.766 4.059 . 0 0 "[ . 1 . 2 ]" 1
715 1 67 ASP HA 1 69 GLY H 0.000 . 3.500 3.589 3.559 3.675 0.175 9 0 "[ . 1 . 2 ]" 1
716 1 67 ASP HB3 1 69 GLY H 0.000 . 5.000 4.980 4.945 5.017 0.017 12 0 "[ . 1 . 2 ]" 1
717 1 67 ASP HB2 1 69 GLY H 0.000 . 5.000 5.098 5.059 5.182 0.182 21 0 "[ . 1 . 2 ]" 1
718 1 68 ASN QB 1 70 GLY H 0.000 . 5.000 4.993 3.779 5.257 0.257 10 0 "[ . 1 . 2 ]" 1
719 1 66 LEU QD 1 68 ASN HD21 0.000 . 5.000 3.906 3.378 5.082 0.082 8 0 "[ . 1 . 2 ]" 1
720 1 66 LEU QD 1 68 ASN HD22 0.000 . 5.000 4.739 4.354 5.001 0.001 5 0 "[ . 1 . 2 ]" 1
721 1 72 TYR QD 1 74 THR H 0.000 . 5.000 2.978 2.840 3.409 . 0 0 "[ . 1 . 2 ]" 1
722 1 72 TYR QE 1 74 THR H 0.000 . 5.000 5.017 4.937 5.044 0.044 14 0 "[ . 1 . 2 ]" 1
723 1 72 TYR HB2 1 74 THR H 0.000 . 5.000 2.985 2.784 3.200 . 0 0 "[ . 1 . 2 ]" 1
724 1 72 TYR QD 1 75 THR H 0.000 . 3.500 3.135 3.029 3.378 . 0 0 "[ . 1 . 2 ]" 1
725 1 72 TYR QD 1 75 THR MG 0.000 . 2.700 2.798 2.740 2.851 0.151 12 0 "[ . 1 . 2 ]" 1
726 1 72 TYR QE 1 75 THR H 0.000 . 3.500 3.525 3.157 3.576 0.076 20 0 "[ . 1 . 2 ]" 1
727 1 72 TYR QE 1 75 THR MG 0.000 . 2.700 1.958 1.833 2.278 . 0 0 "[ . 1 . 2 ]" 1
728 1 72 TYR QD 1 76 ARG H 0.000 . 5.000 4.350 4.082 4.451 . 0 0 "[ . 1 . 2 ]" 1
729 1 74 THR HA 1 76 ARG H 0.000 . 5.000 3.807 3.753 3.886 . 0 0 "[ . 1 . 2 ]" 1
730 1 74 THR HA 1 77 ALA H 0.000 . 5.000 5.055 5.034 5.115 0.115 13 0 "[ . 1 . 2 ]" 1
731 1 74 THR MG 1 76 ARG H 0.000 . 3.500 3.498 3.186 3.538 0.038 19 0 "[ . 1 . 2 ]" 1
732 1 74 THR MG 1 77 ALA H 0.000 . 3.500 3.509 3.314 3.534 0.034 22 0 "[ . 1 . 2 ]" 1
733 1 75 THR H 1 77 ALA H 0.000 . 5.000 4.514 4.481 4.594 . 0 0 "[ . 1 . 2 ]" 1
734 1 75 THR HA 1 77 ALA H 0.000 . 5.000 3.496 3.445 3.563 . 0 0 "[ . 1 . 2 ]" 1
735 1 75 THR HA 1 78 GLN HE21 0.000 . 3.500 2.940 2.017 3.548 0.048 21 0 "[ . 1 . 2 ]" 1
736 1 75 THR HA 1 78 GLN HE22 0.000 . 3.500 2.740 1.857 3.545 0.045 3 0 "[ . 1 . 2 ]" 1
737 1 75 THR HB 1 78 GLN HE21 0.000 . 5.000 4.362 3.090 5.041 0.041 18 0 "[ . 1 . 2 ]" 1
738 1 75 THR HB 1 78 GLN HE22 0.000 . 5.000 3.767 2.983 4.452 . 0 0 "[ . 1 . 2 ]" 1
739 1 75 THR MG 1 77 ALA H 0.000 . 5.000 5.047 5.020 5.085 0.085 10 0 "[ . 1 . 2 ]" 1
740 1 75 THR MG 1 78 GLN HE21 0.000 . 5.000 4.165 3.138 5.009 0.009 19 0 "[ . 1 . 2 ]" 1
741 1 75 THR MG 1 78 GLN HE22 0.000 . 5.000 3.847 2.451 4.530 . 0 0 "[ . 1 . 2 ]" 1
742 1 77 ALA MB 1 79 PHE HZ 0.000 . 3.500 3.527 3.434 3.566 0.066 12 0 "[ . 1 . 2 ]" 1
743 1 79 PHE HA 1 81 THR H 0.000 . 5.000 4.575 3.942 4.839 . 0 0 "[ . 1 . 2 ]" 1
744 1 79 PHE QB 1 81 THR H 0.000 . 5.000 2.700 2.445 2.864 . 0 0 "[ . 1 . 2 ]" 1
745 1 81 THR H 1 84 GLN H 0.000 . 5.000 3.680 3.619 3.741 . 0 0 "[ . 1 . 2 ]" 1
746 1 81 THR H 1 85 LEU H 0.000 . 5.000 3.817 3.495 4.122 . 0 0 "[ . 1 . 2 ]" 1
747 1 81 THR H 1 84 GLN HA 0.000 . 5.000 5.111 5.043 5.197 0.197 3 0 "[ . 1 . 2 ]" 1
748 1 81 THR H 1 84 GLN HG2 0.000 . 5.000 3.549 3.291 5.009 0.009 3 0 "[ . 1 . 2 ]" 1
749 1 81 THR HA 1 83 GLN H 0.000 . 5.000 4.422 4.322 4.476 . 0 0 "[ . 1 . 2 ]" 1
750 1 81 THR HB 1 83 GLN H 0.000 . 5.000 4.139 4.066 4.263 . 0 0 "[ . 1 . 2 ]" 1
751 1 81 THR HB 1 84 GLN H 0.000 . 5.000 4.293 4.224 4.389 . 0 0 "[ . 1 . 2 ]" 1
752 1 81 THR MG 1 83 GLN H 0.000 . 3.500 3.346 3.209 3.469 . 0 0 "[ . 1 . 2 ]" 1
753 1 81 THR MG 1 84 GLN H 0.000 . 3.500 1.955 1.843 2.329 . 0 0 "[ . 1 . 2 ]" 1
754 1 81 THR MG 1 85 LEU H 0.000 . 3.500 3.684 3.628 3.766 0.266 17 0 "[ . 1 . 2 ]" 1
755 1 81 THR MG 1 84 GLN HB3 0.000 . 3.500 3.052 2.926 3.219 . 0 0 "[ . 1 . 2 ]" 1
756 1 81 THR MG 1 84 GLN HB2 0.000 . 3.500 1.734 1.677 1.806 . 0 0 "[ . 1 . 2 ]" 1
757 1 81 THR MG 1 84 GLN HG3 0.000 . 5.000 2.994 1.897 3.163 . 0 0 "[ . 1 . 2 ]" 1
758 1 81 THR MG 1 84 GLN HG2 0.000 . 5.000 1.931 1.687 3.105 . 0 0 "[ . 1 . 2 ]" 1
759 1 81 THR HG1 1 83 GLN H 0.000 . 5.000 1.826 1.803 1.864 . 0 0 "[ . 1 . 2 ]" 1
760 1 81 THR HG1 1 84 GLN H 0.000 . 3.500 2.039 1.889 2.185 . 0 0 "[ . 1 . 2 ]" 1
761 1 81 THR HG1 1 85 LEU H 0.000 . 5.000 4.253 4.043 4.472 . 0 0 "[ . 1 . 2 ]" 1
762 1 81 THR HG1 1 84 GLN HA 0.000 . 5.000 4.648 4.600 4.719 . 0 0 "[ . 1 . 2 ]" 1
763 1 81 THR HG1 1 84 GLN HB3 0.000 . 5.000 5.039 5.002 5.113 0.113 3 0 "[ . 1 . 2 ]" 1
764 1 81 THR HG1 1 84 GLN HB2 0.000 . 5.000 3.438 3.382 3.554 . 0 0 "[ . 1 . 2 ]" 1
765 1 81 THR HG1 1 84 GLN HG3 0.000 . 5.000 5.035 3.347 5.218 0.218 15 0 "[ . 1 . 2 ]" 1
766 1 81 THR HG1 1 84 GLN HG2 0.000 . 5.000 4.097 3.086 5.030 0.030 3 0 "[ . 1 . 2 ]" 1
767 1 81 THR HG1 1 84 GLN HE21 0.000 . 5.000 4.191 3.367 5.052 0.052 20 0 "[ . 1 . 2 ]" 1
768 1 81 THR HG1 1 84 GLN HE22 0.000 . 5.000 4.020 3.457 5.149 0.149 3 0 "[ . 1 . 2 ]" 1
769 1 82 LEU H 1 84 GLN H 0.000 . 5.000 3.788 3.639 4.020 . 0 0 "[ . 1 . 2 ]" 1
770 1 82 LEU HA 1 85 LEU H 0.000 . 3.500 3.329 3.110 3.516 0.016 5 0 "[ . 1 . 2 ]" 1
771 1 82 LEU MD2 1 85 LEU MD1 0.000 . 5.000 3.729 3.213 4.488 . 0 0 "[ . 1 . 2 ]" 1
772 1 83 GLN H 1 85 LEU H 0.000 . 5.000 4.031 3.893 4.456 . 0 0 "[ . 1 . 2 ]" 1
773 1 83 GLN HA 1 86 VAL MG2 0.000 . 5.000 1.762 1.702 1.855 . 0 0 "[ . 1 . 2 ]" 1
774 1 83 GLN HA 1 86 VAL MG1 0.000 . 5.000 2.685 1.919 3.291 . 0 0 "[ . 1 . 2 ]" 1
775 1 84 GLN HA 1 87 GLN HB3 0.000 . 3.500 2.764 2.340 3.123 . 0 0 "[ . 1 . 2 ]" 1
776 1 84 GLN HA 1 87 GLN HB2 0.000 . 3.500 2.724 2.442 2.996 . 0 0 "[ . 1 . 2 ]" 1
777 1 84 GLN H 1 86 VAL MG2 0.000 . 5.000 3.889 3.507 4.337 . 0 0 "[ . 1 . 2 ]" 1
778 1 84 GLN H 1 86 VAL MG1 0.000 . 5.000 4.738 4.444 5.006 0.006 10 0 "[ . 1 . 2 ]" 1
779 1 85 LEU HA 1 88 HIS HB3 0.000 . 5.000 3.167 2.925 3.453 . 0 0 "[ . 1 . 2 ]" 1
780 1 85 LEU HA 1 88 HIS HB2 0.000 . 3.500 3.247 2.862 3.639 0.139 22 0 "[ . 1 . 2 ]" 1
781 1 85 LEU HA 1 89 TYR QD 0.000 . 3.500 3.091 2.741 3.501 0.001 17 0 "[ . 1 . 2 ]" 1
782 1 85 LEU HA 1 89 TYR QE 0.000 . 3.500 3.466 3.151 3.566 0.066 17 0 "[ . 1 . 2 ]" 1
783 1 85 LEU HA 1 89 TYR H 0.000 . 3.500 3.647 3.537 3.712 0.212 6 0 "[ . 1 . 2 ]" 1
784 1 85 LEU HG 1 88 HIS H 0.000 . 5.000 5.145 5.081 5.236 0.236 15 0 "[ . 1 . 2 ]" 1
785 1 85 LEU MD2 1 89 TYR QD 0.000 . 5.000 4.894 4.286 5.043 0.043 3 0 "[ . 1 . 2 ]" 1
786 1 85 LEU MD2 1 89 TYR QE 0.000 . 5.000 4.611 4.047 4.809 . 0 0 "[ . 1 . 2 ]" 1
787 1 85 LEU MD1 1 89 TYR QE 0.000 . 2.700 2.695 2.262 2.801 0.101 10 0 "[ . 1 . 2 ]" 1
788 1 85 LEU MD1 1 89 TYR QD 0.000 . 2.700 2.672 2.112 2.762 0.062 10 0 "[ . 1 . 2 ]" 1
789 1 85 LEU MD2 1 87 GLN H 0.000 . 5.000 5.235 5.168 5.293 0.293 13 0 "[ . 1 . 2 ]" 1
790 1 85 LEU MD1 1 87 GLN H 0.000 . 5.000 4.800 4.652 4.947 . 0 0 "[ . 1 . 2 ]" 1
791 1 86 VAL HA 1 89 TYR H 0.000 . 5.000 3.471 3.118 3.753 . 0 0 "[ . 1 . 2 ]" 1
792 1 86 VAL HA 1 89 TYR HB2 0.000 . 3.500 2.426 1.925 2.843 . 0 0 "[ . 1 . 2 ]" 1
793 1 86 VAL MG2 1 88 HIS H 0.000 . 5.000 4.396 4.293 4.468 . 0 0 "[ . 1 . 2 ]" 1
794 1 86 VAL MG2 1 89 TYR H 0.000 . 5.000 5.010 4.779 5.191 0.191 5 0 "[ . 1 . 2 ]" 1
795 1 86 VAL MG2 1 90 SER H 0.000 . 5.000 4.892 4.761 5.025 0.025 13 0 "[ . 1 . 2 ]" 1
796 1 87 GLN HA 1 89 TYR H 0.000 . 5.000 4.609 4.400 4.920 . 0 0 "[ . 1 . 2 ]" 1
797 1 89 TYR HA 1 92 ARG H 0.000 . 3.500 2.925 2.466 3.323 . 0 0 "[ . 1 . 2 ]" 1
798 1 90 SER H 1 92 ARG H 0.000 . 3.500 3.595 3.471 3.725 0.225 5 0 "[ . 1 . 2 ]" 1
799 1 90 SER HA 1 92 ARG H 0.000 . 5.000 4.167 3.886 4.535 . 0 0 "[ . 1 . 2 ]" 1
800 1 90 SER HB3 1 92 ARG H 0.000 . 5.000 4.923 4.667 5.069 0.069 17 0 "[ . 1 . 2 ]" 1
801 1 90 SER HB2 1 92 ARG H 0.000 . 5.000 4.948 4.739 5.060 0.060 5 0 "[ . 1 . 2 ]" 1
802 1 92 ARG HA 1 94 ALA H 0.000 . 5.000 4.275 3.860 4.896 . 0 0 "[ . 1 . 2 ]" 1
803 1 92 ARG HB3 1 94 ALA H 0.000 . 5.000 3.401 3.007 4.299 . 0 0 "[ . 1 . 2 ]" 1
804 1 92 ARG HB2 1 94 ALA H 0.000 . 5.000 3.380 2.575 4.595 . 0 0 "[ . 1 . 2 ]" 1
805 1 92 ARG QD 1 94 ALA H 0.000 . 5.000 4.645 2.719 5.019 0.019 5 0 "[ . 1 . 2 ]" 1
806 1 93 ALA HA 1 96 LEU QD 0.000 . 5.000 2.963 2.123 3.858 . 0 0 "[ . 1 . 2 ]" 1
807 1 93 ALA HA 1 96 LEU H 0.000 . 5.000 4.740 4.321 5.027 0.027 7 0 "[ . 1 . 2 ]" 1
808 1 93 ALA MB 1 96 LEU QD 0.000 . 5.000 2.575 1.662 3.837 . 0 0 "[ . 1 . 2 ]" 1
809 1 93 ALA MB 1 97 SER H 0.000 . 5.000 5.009 4.281 5.076 0.076 1 0 "[ . 1 . 2 ]" 1
810 1 94 ALA HA 1 96 LEU H 0.000 . 5.000 4.869 4.651 5.016 0.016 5 0 "[ . 1 . 2 ]" 1
811 1 96 LEU H 1 98 SER H 0.000 . 5.000 4.621 3.477 5.110 0.110 21 0 "[ . 1 . 2 ]" 1
812 1 96 LEU QB 1 98 SER H 0.000 . 3.500 3.402 2.905 3.757 0.257 8 0 "[ . 1 . 2 ]" 1
813 1 96 LEU HG 1 98 SER H 0.000 . 3.500 2.074 1.728 3.530 0.030 20 0 "[ . 1 . 2 ]" 1
814 1 96 LEU HG 1 99 ARG H 0.000 . 5.000 4.594 2.808 5.080 0.080 1 0 "[ . 1 . 2 ]" 1
815 1 96 LEU QD 1 98 SER H 0.000 . 3.500 2.484 1.837 2.953 . 0 0 "[ . 1 . 2 ]" 1
816 1 96 LEU QD 1 100 LEU H 0.000 . 5.000 4.051 2.504 4.688 . 0 0 "[ . 1 . 2 ]" 1
817 1 2 ILE MG 1 8 TYR QE 0.000 . 5.000 4.446 3.225 5.025 0.025 9 0 "[ . 1 . 2 ]" 1
818 1 2 ILE MG 1 82 LEU MD1 0.000 . 3.500 3.168 1.957 3.563 0.063 9 0 "[ . 1 . 2 ]" 1
819 1 2 ILE MD 1 8 TYR QD 0.000 . 5.000 2.392 1.841 2.949 . 0 0 "[ . 1 . 2 ]" 1
820 1 2 ILE MD 1 8 TYR QE 0.000 . 3.500 2.571 1.886 3.123 . 0 0 "[ . 1 . 2 ]" 1
821 1 2 ILE MD 1 43 TYR QD 0.000 . 5.000 4.999 4.487 5.080 0.080 19 0 "[ . 1 . 2 ]" 1
822 1 2 ILE MD 1 82 LEU QB 0.000 . 5.000 2.405 1.680 3.326 . 0 0 "[ . 1 . 2 ]" 1
823 1 2 ILE MD 1 82 LEU MD1 0.000 . 3.500 2.456 1.618 3.219 . 0 0 "[ . 1 . 2 ]" 1
824 1 3 GLN QB 1 8 TYR H 0.000 . 5.000 4.596 3.569 4.925 . 0 0 "[ . 1 . 2 ]" 1
825 1 7 TRP H 1 101 VAL H 0.000 . 5.000 5.051 4.792 5.141 0.141 12 0 "[ . 1 . 2 ]" 1
826 1 7 TRP H 1 101 VAL QG 0.000 . 5.000 2.890 2.423 3.786 . 0 0 "[ . 1 . 2 ]" 1
827 1 7 TRP HA 1 33 ILE H 0.000 . 5.000 3.848 3.457 4.315 . 0 0 "[ . 1 . 2 ]" 1
828 1 7 TRP HB2 1 33 ILE H 0.000 . 5.000 4.728 4.378 5.039 0.039 10 0 "[ . 1 . 2 ]" 1
829 1 7 TRP HD1 1 86 VAL MG1 0.000 . 5.000 4.335 3.707 4.768 . 0 0 "[ . 1 . 2 ]" 1
830 1 7 TRP HD1 1 86 VAL MG2 0.000 . 5.000 4.141 3.275 4.993 . 0 0 "[ . 1 . 2 ]" 1
831 1 7 TRP HE1 1 83 GLN HA 0.000 . 5.000 4.686 3.808 5.043 0.043 5 0 "[ . 1 . 2 ]" 1
832 1 7 TRP HE1 1 86 VAL MG1 0.000 . 5.000 3.969 3.229 4.880 . 0 0 "[ . 1 . 2 ]" 1
833 1 7 TRP HE1 1 86 VAL MG2 0.000 . 5.000 2.905 2.454 3.444 . 0 0 "[ . 1 . 2 ]" 1
834 1 7 TRP HE3 1 33 ILE HB 0.000 . 3.500 2.497 2.148 2.849 . 0 0 "[ . 1 . 2 ]" 1
835 1 7 TRP HE3 1 33 ILE H 0.000 . 5.000 4.262 4.001 4.653 . 0 0 "[ . 1 . 2 ]" 1
836 1 7 TRP HH2 1 82 LEU QB 0.000 . 5.000 2.548 2.178 2.996 . 0 0 "[ . 1 . 2 ]" 1
837 1 7 TRP HH2 1 82 LEU MD2 0.000 . 5.000 4.348 3.572 5.003 0.003 17 0 "[ . 1 . 2 ]" 1
838 1 7 TRP HH2 1 82 LEU MD1 0.000 . 5.000 4.004 3.148 4.997 . 0 0 "[ . 1 . 2 ]" 1
839 1 7 TRP HH2 1 86 VAL MG2 0.000 . 5.000 3.738 3.295 4.732 . 0 0 "[ . 1 . 2 ]" 1
840 1 7 TRP HZ2 1 86 VAL MG1 0.000 . 5.000 3.306 2.460 4.666 . 0 0 "[ . 1 . 2 ]" 1
841 1 7 TRP HZ3 1 33 ILE HB 0.000 . 5.000 3.447 3.159 3.718 . 0 0 "[ . 1 . 2 ]" 1
842 1 7 TRP HZ3 1 33 ILE MG 0.000 . 5.000 2.886 2.345 3.374 . 0 0 "[ . 1 . 2 ]" 1
843 1 7 TRP HZ3 1 82 LEU MD2 0.000 . 5.000 3.061 2.238 4.133 . 0 0 "[ . 1 . 2 ]" 1
844 1 7 TRP HZ3 1 82 LEU MD1 0.000 . 5.000 3.432 2.579 4.345 . 0 0 "[ . 1 . 2 ]" 1
845 1 7 TRP HZ3 1 86 VAL MG2 0.000 . 5.000 4.594 3.655 5.027 0.027 16 0 "[ . 1 . 2 ]" 1
846 1 8 TYR H 1 33 ILE QG 0.000 . 5.000 4.988 4.921 5.040 0.040 15 0 "[ . 1 . 2 ]" 1
847 1 8 TYR H 1 33 ILE HB 0.000 . 5.000 4.035 3.969 4.249 . 0 0 "[ . 1 . 2 ]" 1
848 1 8 TYR H 1 101 VAL QG 0.000 . 5.000 4.050 3.736 4.501 . 0 0 "[ . 1 . 2 ]" 1
849 1 8 TYR HA 1 33 ILE H 0.000 . 3.500 1.805 1.727 1.872 . 0 0 "[ . 1 . 2 ]" 1
850 1 8 TYR HB2 1 34 ARG H 0.000 . 5.000 5.138 5.069 5.240 0.240 22 0 "[ . 1 . 2 ]" 1
851 1 8 TYR QD 1 33 ILE H 0.000 . 5.000 4.465 3.400 4.814 . 0 0 "[ . 1 . 2 ]" 1
852 1 8 TYR QD 1 34 ARG H 0.000 . 5.000 4.092 3.430 4.618 . 0 0 "[ . 1 . 2 ]" 1
853 1 8 TYR QD 1 82 LEU MD1 0.000 . 3.500 3.563 3.462 3.632 0.132 8 0 "[ . 1 . 2 ]" 1
854 1 8 TYR QE 1 35 GLU H 0.000 . 5.000 4.630 2.726 5.046 0.046 5 0 "[ . 1 . 2 ]" 1
855 1 8 TYR QE 1 33 ILE MG 0.000 . 3.500 3.396 3.072 3.590 0.090 20 0 "[ . 1 . 2 ]" 1
856 1 9 PHE H 1 33 ILE H 0.000 . 5.000 2.721 2.108 3.068 . 0 0 "[ . 1 . 2 ]" 1
857 1 9 PHE H 1 33 ILE HB 0.000 . 5.000 3.631 3.255 3.894 . 0 0 "[ . 1 . 2 ]" 1
858 1 9 PHE HB2 1 33 ILE H 0.000 . 5.000 4.227 3.881 4.637 . 0 0 "[ . 1 . 2 ]" 1
859 1 9 PHE QD 1 20 GLN QB 0.000 . 3.500 3.546 3.393 3.590 0.090 16 0 "[ . 1 . 2 ]" 1
860 1 9 PHE QD 1 20 GLN QG 0.000 . 5.000 3.384 2.921 4.037 . 0 0 "[ . 1 . 2 ]" 1
861 1 9 PHE QD 1 33 ILE H 0.000 . 3.500 3.505 3.404 3.530 0.030 13 0 "[ . 1 . 2 ]" 1
862 1 9 PHE QE 1 20 GLN QG 0.000 . 5.000 2.618 1.832 3.759 . 0 0 "[ . 1 . 2 ]" 1
863 1 9 PHE QE 1 32 LEU QD 0.000 . 5.000 2.728 2.481 3.005 . 0 0 "[ . 1 . 2 ]" 1
864 1 10 GLY H 1 35 GLU H 0.000 . 5.000 4.330 4.033 4.479 . 0 0 "[ . 1 . 2 ]" 1
865 1 10 GLY HA2 1 35 GLU H 0.000 . 5.000 4.925 4.550 5.044 0.044 4 0 "[ . 1 . 2 ]" 1
866 1 11 LYS H 1 34 ARG HA 0.000 . 5.000 5.002 4.876 5.051 0.051 5 0 "[ . 1 . 2 ]" 1
867 1 11 LYS H 1 35 GLU H 0.000 . 5.000 4.512 4.393 4.637 . 0 0 "[ . 1 . 2 ]" 1
868 1 11 LYS H 1 35 GLU QG 0.000 . 5.000 4.935 4.530 5.036 0.036 20 0 "[ . 1 . 2 ]" 1
869 1 11 LYS HA 1 35 GLU H 0.000 . 3.500 2.104 1.866 2.564 . 0 0 "[ . 1 . 2 ]" 1
870 1 11 LYS HA 1 35 GLU HB3 0.000 . 5.000 3.045 1.814 3.710 . 0 0 "[ . 1 . 2 ]" 1
871 1 12 LEU H 1 35 GLU H 0.000 . 3.500 2.477 1.939 3.326 . 0 0 "[ . 1 . 2 ]" 1
872 1 12 LEU H 1 35 GLU HB2 0.000 . 5.000 4.083 3.480 5.187 0.187 2 0 "[ . 1 . 2 ]" 1
873 1 12 LEU H 1 35 GLU HB3 0.000 . 5.000 4.678 3.644 5.202 0.202 18 0 "[ . 1 . 2 ]" 1
874 1 12 LEU QD 1 17 ALA H 0.000 . 3.500 2.738 2.428 2.972 . 0 0 "[ . 1 . 2 ]" 1
875 1 12 LEU QD 1 17 ALA HA 0.000 . 2.700 2.459 2.146 2.729 0.029 18 0 "[ . 1 . 2 ]" 1
876 1 12 LEU QD 1 17 ALA MB 0.000 . 2.700 2.597 2.220 2.762 0.062 20 0 "[ . 1 . 2 ]" 1
877 1 12 LEU QD 1 32 LEU QD 0.000 . 3.500 2.590 2.205 3.122 . 0 0 "[ . 1 . 2 ]" 1
878 1 14 ARG H 1 37 GLU H 0.000 . 5.000 4.846 4.299 5.042 0.042 20 0 "[ . 1 . 2 ]" 1
879 1 14 ARG H 1 37 GLU QB 0.000 . 5.000 4.853 3.812 5.016 0.016 20 0 "[ . 1 . 2 ]" 1
880 1 14 ARG H 1 37 GLU QG 0.000 . 5.000 4.845 3.687 5.020 0.020 10 0 "[ . 1 . 2 ]" 1
881 1 14 ARG HA 1 60 HIS HE1 0.000 . 3.500 3.283 2.756 3.517 0.017 18 0 "[ . 1 . 2 ]" 1
882 1 17 ALA H 1 32 LEU QD 0.000 . 5.000 4.239 3.790 4.657 . 0 0 "[ . 1 . 2 ]" 1
883 1 17 ALA HA 1 58 VAL QG 0.000 . 5.000 4.170 3.860 4.290 . 0 0 "[ . 1 . 2 ]" 1
884 1 17 ALA HA 1 60 HIS HE1 0.000 . 5.000 4.988 4.663 5.031 0.031 19 0 "[ . 1 . 2 ]" 1
885 1 17 ALA HA 1 32 LEU QD 0.000 . 5.000 2.481 1.991 2.812 . 0 0 "[ . 1 . 2 ]" 1
886 1 17 ALA MB 1 32 LEU QD 0.000 . 2.700 2.129 1.732 2.514 . 0 0 "[ . 1 . 2 ]" 1
887 1 17 ALA MB 1 58 VAL QG 0.000 . 3.500 2.751 2.540 2.917 . 0 0 "[ . 1 . 2 ]" 1
888 1 17 ALA MB 1 60 HIS HE1 0.000 . 3.500 2.264 2.012 2.619 . 0 0 "[ . 1 . 2 ]" 1
889 1 18 GLU H 1 58 VAL QG 0.000 . 5.000 3.017 2.784 3.209 . 0 0 "[ . 1 . 2 ]" 1
890 1 18 GLU H 1 60 HIS HE1 0.000 . 5.000 3.005 2.739 3.372 . 0 0 "[ . 1 . 2 ]" 1
891 1 18 GLU QB 1 60 HIS HE1 0.000 . 5.000 3.171 2.374 4.098 . 0 0 "[ . 1 . 2 ]" 1
892 1 18 GLU QG 1 58 VAL QG 0.000 . 5.000 3.283 1.705 3.749 . 0 0 "[ . 1 . 2 ]" 1
893 1 19 ARG H 1 58 VAL QG 0.000 . 5.000 4.214 4.073 4.366 . 0 0 "[ . 1 . 2 ]" 1
894 1 20 GLN H 1 32 LEU QD 0.000 . 5.000 4.820 4.542 4.927 . 0 0 "[ . 1 . 2 ]" 1
895 1 21 LEU H 1 32 LEU QD 0.000 . 5.000 4.060 3.281 4.826 . 0 0 "[ . 1 . 2 ]" 1
896 1 21 LEU H 1 58 VAL QG 0.000 . 5.000 3.699 3.102 4.231 . 0 0 "[ . 1 . 2 ]" 1
897 1 21 LEU HA 1 26 ASN H 0.000 . 5.000 4.446 3.246 5.055 0.055 14 0 "[ . 1 . 2 ]" 1
898 1 21 LEU QD 1 31 PHE HA 0.000 . 5.000 3.570 2.638 4.210 . 0 0 "[ . 1 . 2 ]" 1
899 1 21 LEU QD 1 32 LEU H 0.000 . 5.000 3.171 2.437 4.285 . 0 0 "[ . 1 . 2 ]" 1
900 1 21 LEU QD 1 47 ILE H 0.000 . 5.000 3.367 2.678 3.949 . 0 0 "[ . 1 . 2 ]" 1
901 1 21 LEU QD 1 48 ARG HA 0.000 . 5.000 2.463 1.914 3.368 . 0 0 "[ . 1 . 2 ]" 1
902 1 21 LEU QD 1 59 LYS H 0.000 . 5.000 4.199 3.365 4.743 . 0 0 "[ . 1 . 2 ]" 1
903 1 22 LEU H 1 48 ARG QD 0.000 . 5.000 4.385 2.999 5.020 0.020 11 0 "[ . 1 . 2 ]" 1
904 1 22 LEU H 1 58 VAL QG 0.000 . 5.000 3.354 2.569 4.250 . 0 0 "[ . 1 . 2 ]" 1
905 1 22 LEU QD 1 56 ASP HB3 0.000 . 5.000 2.600 1.709 3.233 . 0 0 "[ . 1 . 2 ]" 1
906 1 22 LEU QD 1 56 ASP HA 0.000 . 5.000 3.538 3.307 3.802 . 0 0 "[ . 1 . 2 ]" 1
907 1 22 LEU QD 1 56 ASP HB2 0.000 . 5.000 1.798 1.690 1.987 . 0 0 "[ . 1 . 2 ]" 1
908 1 22 LEU QD 1 57 HIS H 0.000 . 5.000 2.388 1.921 3.100 . 0 0 "[ . 1 . 2 ]" 1
909 1 22 LEU QD 1 58 VAL H 0.000 . 5.000 3.603 3.348 4.401 . 0 0 "[ . 1 . 2 ]" 1
910 1 27 PRO HD2 1 30 THR HG1 0.000 . 5.000 3.741 2.700 4.538 . 0 0 "[ . 1 . 2 ]" 1
911 1 28 ARG H 1 50 TRP HB3 0.000 . 5.000 3.732 2.539 4.818 . 0 0 "[ . 1 . 2 ]" 1
912 1 28 ARG H 1 48 ARG QB 0.000 . 5.000 4.794 3.808 5.033 0.033 13 0 "[ . 1 . 2 ]" 1
913 1 28 ARG HA 1 49 ASP H 0.000 . 5.000 4.169 3.567 4.714 . 0 0 "[ . 1 . 2 ]" 1
914 1 28 ARG QB 1 30 THR H 0.000 . 5.000 4.410 4.026 4.822 . 0 0 "[ . 1 . 2 ]" 1
915 1 29 GLY H 1 47 ILE QG 0.000 . 5.000 4.714 3.677 5.029 0.029 3 0 "[ . 1 . 2 ]" 1
916 1 29 GLY H 1 47 ILE MD 0.000 . 5.000 4.936 4.251 5.049 0.049 13 0 "[ . 1 . 2 ]" 1
917 1 29 GLY H 1 49 ASP HA 0.000 . 5.000 3.439 3.057 3.682 . 0 0 "[ . 1 . 2 ]" 1
918 1 30 THR H 1 47 ILE HA 0.000 . 5.000 4.739 4.295 5.072 0.072 6 0 "[ . 1 . 2 ]" 1
919 1 30 THR H 1 48 ARG H 0.000 . 5.000 3.123 2.552 4.071 . 0 0 "[ . 1 . 2 ]" 1
920 1 30 THR H 1 48 ARG QB 0.000 . 5.000 2.434 1.855 3.579 . 0 0 "[ . 1 . 2 ]" 1
921 1 30 THR H 1 48 ARG QD 0.000 . 5.000 4.641 3.597 5.040 0.040 12 0 "[ . 1 . 2 ]" 1
922 1 30 THR H 1 49 ASP HA 0.000 . 5.000 5.039 5.005 5.080 0.080 17 0 "[ . 1 . 2 ]" 1
923 1 30 THR H 1 101 VAL QG 0.000 . 5.000 4.852 4.247 4.974 . 0 0 "[ . 1 . 2 ]" 1
924 1 30 THR H 1 102 VAL QG 0.000 . 5.000 4.540 3.944 4.944 . 0 0 "[ . 1 . 2 ]" 1
925 1 30 THR HB 1 48 ARG H 0.000 . 5.000 2.995 2.252 3.785 . 0 0 "[ . 1 . 2 ]" 1
926 1 30 THR MG 1 48 ARG H 0.000 . 5.000 4.267 3.475 4.844 . 0 0 "[ . 1 . 2 ]" 1
927 1 30 THR HG1 1 102 VAL QG 0.000 . 5.000 4.478 3.115 4.941 . 0 0 "[ . 1 . 2 ]" 1
928 1 31 PHE H 1 102 VAL QG 0.000 . 5.000 4.245 3.290 4.933 . 0 0 "[ . 1 . 2 ]" 1
929 1 31 PHE H 1 102 VAL H 0.000 . 5.000 3.712 2.563 4.654 . 0 0 "[ . 1 . 2 ]" 1
930 1 31 PHE HA 1 47 ILE HA 0.000 . 2.700 1.859 1.684 2.261 . 0 0 "[ . 1 . 2 ]" 1
931 1 31 PHE HA 1 48 ARG H 0.000 . 3.500 3.298 2.406 3.554 0.054 11 0 "[ . 1 . 2 ]" 1
932 1 32 LEU H 1 46 SER H 0.000 . 5.000 3.788 3.168 4.240 . 0 0 "[ . 1 . 2 ]" 1
933 1 32 LEU H 1 45 LEU HA 0.000 . 5.000 4.729 3.876 5.066 0.066 10 0 "[ . 1 . 2 ]" 1
934 1 32 LEU H 1 47 ILE HA 0.000 . 5.000 3.241 2.685 3.810 . 0 0 "[ . 1 . 2 ]" 1
935 1 32 LEU H 1 46 SER HB3 0.000 . 5.000 4.277 2.538 5.056 0.056 22 0 "[ . 1 . 2 ]" 1
936 1 32 LEU H 1 46 SER HB2 0.000 . 5.000 3.711 2.730 4.915 . 0 0 "[ . 1 . 2 ]" 1
937 1 32 LEU QD 1 46 SER H 0.000 . 5.000 2.109 1.847 2.634 . 0 0 "[ . 1 . 2 ]" 1
938 1 33 ILE HA 1 45 LEU HA 0.000 . 5.000 1.895 1.781 2.024 . 0 0 "[ . 1 . 2 ]" 1
939 1 33 ILE HA 1 46 SER H 0.000 . 3.500 2.789 2.423 2.994 . 0 0 "[ . 1 . 2 ]" 1
940 1 33 ILE MG 1 82 LEU MD2 0.000 . 3.500 2.612 1.947 3.529 0.029 16 0 "[ . 1 . 2 ]" 1
941 1 33 ILE MG 1 82 LEU MD1 0.000 . 3.500 3.101 2.320 3.567 0.067 18 0 "[ . 1 . 2 ]" 1
942 1 34 ARG H 1 43 TYR HB3 0.000 . 5.000 4.356 4.098 4.659 . 0 0 "[ . 1 . 2 ]" 1
943 1 34 ARG H 1 44 SER H 0.000 . 3.500 2.482 2.310 2.620 . 0 0 "[ . 1 . 2 ]" 1
944 1 34 ARG H 1 44 SER QB 0.000 . 5.000 2.888 2.620 3.240 . 0 0 "[ . 1 . 2 ]" 1
945 1 34 ARG H 1 45 LEU H 0.000 . 5.000 4.765 4.630 4.929 . 0 0 "[ . 1 . 2 ]" 1
946 1 34 ARG H 1 45 LEU HA 0.000 . 5.000 3.888 3.617 4.056 . 0 0 "[ . 1 . 2 ]" 1
947 1 35 GLU H 1 43 TYR QD 0.000 . 5.000 3.596 3.320 3.877 . 0 0 "[ . 1 . 2 ]" 1
948 1 35 GLU HA 1 44 SER H 0.000 . 5.000 3.881 3.725 4.045 . 0 0 "[ . 1 . 2 ]" 1
949 1 35 GLU HA 1 43 TYR HA 0.000 . 5.000 1.990 1.860 2.138 . 0 0 "[ . 1 . 2 ]" 1
950 1 35 GLU HA 1 43 TYR H 0.000 . 5.000 4.727 4.525 4.888 . 0 0 "[ . 1 . 2 ]" 1
951 1 35 GLU HA 1 43 TYR QD 0.000 . 2.700 2.647 2.323 2.722 0.022 6 0 "[ . 1 . 2 ]" 1
952 1 36 SER H 1 42 ALA HA 0.000 . 5.000 4.575 4.444 4.665 . 0 0 "[ . 1 . 2 ]" 1
953 1 36 SER H 1 44 SER H 0.000 . 5.000 4.397 4.263 4.580 . 0 0 "[ . 1 . 2 ]" 1
954 1 36 SER H 1 42 ALA H 0.000 . 5.000 3.676 3.514 3.918 . 0 0 "[ . 1 . 2 ]" 1
955 1 36 SER H 1 43 TYR HA 0.000 . 3.500 2.406 2.242 2.517 . 0 0 "[ . 1 . 2 ]" 1
956 1 36 SER H 1 43 TYR HB2 0.000 . 5.000 4.963 4.841 5.047 0.047 15 0 "[ . 1 . 2 ]" 1
957 1 36 SER H 1 43 TYR HB3 0.000 . 5.000 5.043 5.001 5.086 0.086 11 0 "[ . 1 . 2 ]" 1
958 1 36 SER H 1 42 ALA MB 0.000 . 3.500 3.545 3.391 3.615 0.115 7 0 "[ . 1 . 2 ]" 1
959 1 36 SER HB2 1 42 ALA H 0.000 . 3.500 2.839 2.456 3.260 . 0 0 "[ . 1 . 2 ]" 1
960 1 36 SER HB2 1 43 TYR H 0.000 . 5.000 3.891 3.672 4.071 . 0 0 "[ . 1 . 2 ]" 1
961 1 36 SER HB3 1 42 ALA H 0.000 . 5.000 4.243 3.942 4.594 . 0 0 "[ . 1 . 2 ]" 1
962 1 36 SER H 1 43 TYR H 0.000 . 5.000 3.856 3.711 3.939 . 0 0 "[ . 1 . 2 ]" 1
963 1 38 THR HB 1 62 LYS QG 0.000 . 5.000 4.574 4.079 5.067 0.067 6 0 "[ . 1 . 2 ]" 1
964 1 43 TYR H 1 63 ILE H 0.000 . 5.000 3.824 3.660 3.961 . 0 0 "[ . 1 . 2 ]" 1
965 1 43 TYR H 1 63 ILE HA 0.000 . 5.000 5.002 4.917 5.035 0.035 6 0 "[ . 1 . 2 ]" 1
966 1 43 TYR H 1 63 ILE HB 0.000 . 3.500 3.499 3.232 3.621 0.121 16 0 "[ . 1 . 2 ]" 1
967 1 43 TYR H 1 63 ILE MD 0.000 . 5.000 4.928 4.726 5.076 0.076 1 0 "[ . 1 . 2 ]" 1
968 1 43 TYR H 1 64 ARG H 0.000 . 5.000 4.981 4.561 5.086 0.086 19 0 "[ . 1 . 2 ]" 1
969 1 43 TYR H 1 63 ILE MG 0.000 . 3.500 3.268 2.651 3.529 0.029 3 0 "[ . 1 . 2 ]" 1
970 1 43 TYR HA 1 63 ILE H 0.000 . 5.000 4.650 4.511 4.728 . 0 0 "[ . 1 . 2 ]" 1
971 1 43 TYR QB 1 63 ILE H 0.000 . 3.500 3.549 3.379 3.680 0.180 7 0 "[ . 1 . 2 ]" 1
972 1 43 TYR QD 1 82 LEU MD2 0.000 . 3.500 3.095 2.201 3.549 0.049 8 0 "[ . 1 . 2 ]" 1
973 1 43 TYR QD 1 82 LEU MD1 0.000 . 3.500 2.424 1.895 3.132 . 0 0 "[ . 1 . 2 ]" 1
974 1 44 SER H 1 63 ILE HB 0.000 . 3.500 2.852 2.481 3.271 . 0 0 "[ . 1 . 2 ]" 1
975 1 44 SER H 1 63 ILE MD 0.000 . 5.000 2.807 2.100 3.473 . 0 0 "[ . 1 . 2 ]" 1
976 1 44 SER HA 1 63 ILE H 0.000 . 5.000 1.695 1.577 1.780 . 0 0 "[ . 1 . 2 ]" 1
977 1 44 SER HA 1 62 LYS HA 0.000 . 5.000 2.258 1.942 2.466 . 0 0 "[ . 1 . 2 ]" 1
978 1 44 SER HA 1 61 TYR H 0.000 . 5.000 4.441 4.117 4.727 . 0 0 "[ . 1 . 2 ]" 1
979 1 44 SER HA 1 62 LYS H 0.000 . 5.000 4.504 4.087 4.722 . 0 0 "[ . 1 . 2 ]" 1
980 1 44 SER QB 1 63 ILE H 0.000 . 3.500 3.473 3.398 3.577 0.077 8 0 "[ . 1 . 2 ]" 1
981 1 45 LEU H 1 60 HIS HA 0.000 . 5.000 4.115 3.620 4.448 . 0 0 "[ . 1 . 2 ]" 1
982 1 45 LEU H 1 61 TYR H 0.000 . 3.500 2.369 1.889 2.655 . 0 0 "[ . 1 . 2 ]" 1
983 1 45 LEU H 1 62 LYS HA 0.000 . 3.500 3.554 3.468 3.619 0.119 11 0 "[ . 1 . 2 ]" 1
984 1 45 LEU H 1 61 TYR QB 0.000 . 3.500 3.353 3.137 3.554 0.054 2 0 "[ . 1 . 2 ]" 1
985 1 45 LEU H 1 63 ILE QG 0.000 . 5.000 4.000 2.980 4.785 . 0 0 "[ . 1 . 2 ]" 1
986 1 45 LEU H 1 73 ILE MD 0.000 . 5.000 4.316 3.312 4.867 . 0 0 "[ . 1 . 2 ]" 1
987 1 45 LEU QB 1 61 TYR H 0.000 . 3.500 3.033 2.560 3.425 . 0 0 "[ . 1 . 2 ]" 1
988 1 45 LEU HG 1 61 TYR H 0.000 . 5.000 4.492 3.837 5.196 0.196 3 0 "[ . 1 . 2 ]" 1
989 1 45 LEU QD 1 61 TYR H 0.000 . 5.000 3.878 3.045 4.406 . 0 0 "[ . 1 . 2 ]" 1
990 1 45 LEU QD 1 61 TYR HB3 0.000 . 5.000 3.709 3.210 4.153 . 0 0 "[ . 1 . 2 ]" 1
991 1 45 LEU QD 1 61 TYR HB2 0.000 . 5.000 2.806 2.127 3.238 . 0 0 "[ . 1 . 2 ]" 1
992 1 45 LEU QD 1 61 TYR QD 0.000 . 3.500 2.865 1.817 3.443 . 0 0 "[ . 1 . 2 ]" 1
993 1 45 LEU QD 1 61 TYR QE 0.000 . 5.000 4.167 2.851 4.822 . 0 0 "[ . 1 . 2 ]" 1
994 1 45 LEU QD 1 73 ILE MD 0.000 . 2.700 1.882 1.573 2.285 . 0 0 "[ . 1 . 2 ]" 1
995 1 45 LEU QD 1 89 TYR QD 0.000 . 5.000 3.658 2.722 4.597 . 0 0 "[ . 1 . 2 ]" 1
996 1 45 LEU QD 1 100 LEU QD 0.000 . 5.000 3.198 2.178 3.698 . 0 0 "[ . 1 . 2 ]" 1
997 1 46 SER HA 1 59 LYS H 0.000 . 5.000 4.747 4.039 5.037 0.037 19 0 "[ . 1 . 2 ]" 1
998 1 46 SER HA 1 60 HIS H 0.000 . 5.000 4.424 4.193 4.771 . 0 0 "[ . 1 . 2 ]" 1
999 1 46 SER HA 1 61 TYR H 0.000 . 3.500 3.295 3.078 3.555 0.055 17 0 "[ . 1 . 2 ]" 1
1000 1 46 SER HA 1 60 HIS HA 0.000 . 3.500 1.813 1.728 2.118 . 0 0 "[ . 1 . 2 ]" 1
1001 1 46 SER HA 1 60 HIS HE1 0.000 . 5.000 4.625 4.187 5.013 0.013 8 0 "[ . 1 . 2 ]" 1
1002 1 46 SER HB3 1 58 VAL QG 0.000 . 3.500 3.015 2.313 3.955 0.455 3 0 "[ . 1 . 2 ]" 1
1003 1 46 SER HB2 1 58 VAL QG 0.000 . 5.000 3.342 3.064 3.732 . 0 0 "[ . 1 . 2 ]" 1
1004 1 47 ILE H 1 60 HIS HA 0.000 . 3.500 3.230 3.102 3.411 . 0 0 "[ . 1 . 2 ]" 1
1005 1 47 ILE H 1 58 VAL QG 0.000 . 2.700 2.603 2.358 2.705 0.005 4 0 "[ . 1 . 2 ]" 1
1006 1 47 ILE H 1 59 LYS H 0.000 . 5.000 2.839 2.181 3.223 . 0 0 "[ . 1 . 2 ]" 1
1007 1 47 ILE H 1 60 HIS H 0.000 . 5.000 4.616 4.313 4.944 . 0 0 "[ . 1 . 2 ]" 1
1008 1 47 ILE H 1 61 TYR H 0.000 . 5.000 5.110 5.034 5.265 0.265 3 0 "[ . 1 . 2 ]" 1
1009 1 47 ILE MG 1 60 HIS H 0.000 . 5.000 3.936 2.993 4.759 . 0 0 "[ . 1 . 2 ]" 1
1010 1 47 ILE MG 1 61 TYR QD 0.000 . 3.500 2.593 2.134 3.554 0.054 20 0 "[ . 1 . 2 ]" 1
1011 1 47 ILE MG 1 61 TYR QE 0.000 . 3.500 2.574 1.812 3.480 . 0 0 "[ . 1 . 2 ]" 1
1012 1 47 ILE MG 1 97 SER H 0.000 . 5.000 4.580 3.492 5.047 0.047 21 0 "[ . 1 . 2 ]" 1
1013 1 47 ILE MG 1 98 SER H 0.000 . 5.000 4.574 3.642 5.059 0.059 7 0 "[ . 1 . 2 ]" 1
1014 1 47 ILE MD 1 60 HIS H 0.000 . 5.000 4.648 3.843 5.034 0.034 6 0 "[ . 1 . 2 ]" 1
1015 1 47 ILE MD 1 61 TYR QE 0.000 . 5.000 2.593 1.796 4.174 . 0 0 "[ . 1 . 2 ]" 1
1016 1 47 ILE MD 1 97 SER H 0.000 . 5.000 4.041 3.045 4.959 . 0 0 "[ . 1 . 2 ]" 1
1017 1 47 ILE MD 1 98 SER H 0.000 . 5.000 4.125 2.453 5.057 0.057 17 0 "[ . 1 . 2 ]" 1
1018 1 48 ARG H 1 58 VAL QG 0.000 . 5.000 3.561 3.189 3.859 . 0 0 "[ . 1 . 2 ]" 1
1019 1 48 ARG HA 1 57 HIS H 0.000 . 5.000 4.567 4.433 4.779 . 0 0 "[ . 1 . 2 ]" 1
1020 1 48 ARG HA 1 58 VAL H 0.000 . 5.000 4.902 4.518 5.102 0.102 17 0 "[ . 1 . 2 ]" 1
1021 1 48 ARG HA 1 59 LYS H 0.000 . 5.000 3.827 3.400 4.135 . 0 0 "[ . 1 . 2 ]" 1
1022 1 49 ASP H 1 57 HIS H 0.000 . 5.000 3.132 2.869 3.620 . 0 0 "[ . 1 . 2 ]" 1
1023 1 49 ASP H 1 58 VAL HA 0.000 . 3.500 2.760 2.050 3.038 . 0 0 "[ . 1 . 2 ]" 1
1024 1 49 ASP H 1 58 VAL QG 0.000 . 5.000 3.434 2.869 4.233 . 0 0 "[ . 1 . 2 ]" 1
1025 1 49 ASP H 1 58 VAL H 0.000 . 5.000 4.355 3.944 4.721 . 0 0 "[ . 1 . 2 ]" 1
1026 1 49 ASP H 1 59 LYS H 0.000 . 5.000 4.340 3.452 5.015 0.015 17 0 "[ . 1 . 2 ]" 1
1027 1 50 TRP HA 1 55 GLY H 0.000 . 5.000 5.084 5.025 5.114 0.114 14 0 "[ . 1 . 2 ]" 1
1028 1 50 TRP HA 1 56 ASP H 0.000 . 5.000 4.498 4.241 4.655 . 0 0 "[ . 1 . 2 ]" 1
1029 1 50 TRP HA 1 57 HIS H 0.000 . 3.500 2.794 2.679 2.906 . 0 0 "[ . 1 . 2 ]" 1
1030 1 50 TRP HD1 1 55 GLY HA2 0.000 . 3.500 2.905 2.594 3.134 . 0 0 "[ . 1 . 2 ]" 1
1031 1 50 TRP HD1 1 56 ASP H 0.000 . 5.000 2.379 2.106 2.562 . 0 0 "[ . 1 . 2 ]" 1
1032 1 50 TRP HD1 1 56 ASP HA 0.000 . 3.500 2.292 2.022 2.622 . 0 0 "[ . 1 . 2 ]" 1
1033 1 50 TRP HD1 1 57 HIS H 0.000 . 5.000 4.718 4.468 5.034 0.034 10 0 "[ . 1 . 2 ]" 1
1034 1 50 TRP HE1 1 55 GLY H 0.000 . 3.500 3.616 3.565 3.670 0.170 14 0 "[ . 1 . 2 ]" 1
1035 1 50 TRP HE1 1 55 GLY HA2 0.000 . 5.000 2.258 1.856 2.640 . 0 0 "[ . 1 . 2 ]" 1
1036 1 50 TRP HE1 1 56 ASP H 0.000 . 5.000 4.014 3.764 4.213 . 0 0 "[ . 1 . 2 ]" 1
1037 1 50 TRP HE3 1 56 ASP HA 0.000 . 5.000 5.189 5.149 5.241 0.241 10 0 "[ . 1 . 2 ]" 1
1038 1 51 ASP H 1 56 ASP H 0.000 . 5.000 4.723 4.622 4.823 . 0 0 "[ . 1 . 2 ]" 1
1039 1 51 ASP H 1 57 HIS H 0.000 . 5.000 5.037 5.008 5.085 0.085 17 0 "[ . 1 . 2 ]" 1
1040 1 51 ASP H 1 56 ASP HA 0.000 . 5.000 3.228 3.042 3.465 . 0 0 "[ . 1 . 2 ]" 1
1041 1 61 TYR H 1 73 ILE MD 0.000 . 5.000 4.605 3.674 5.052 0.052 8 0 "[ . 1 . 2 ]" 1
1042 1 61 TYR H 1 73 ILE MG 0.000 . 5.000 4.558 3.965 4.891 . 0 0 "[ . 1 . 2 ]" 1
1043 1 61 TYR HB3 1 73 ILE MD 0.000 . 5.000 2.533 1.734 3.842 . 0 0 "[ . 1 . 2 ]" 1
1044 1 61 TYR HB2 1 73 ILE MD 0.000 . 5.000 2.646 1.913 3.258 . 0 0 "[ . 1 . 2 ]" 1
1045 1 61 TYR QB 1 73 ILE HB 0.000 . 3.500 3.624 3.534 3.739 0.239 9 0 "[ . 1 . 2 ]" 1
1046 1 61 TYR QD 1 73 ILE HB 0.000 . 5.000 4.430 3.944 5.064 0.064 22 0 "[ . 1 . 2 ]" 1
1047 1 61 TYR QD 1 73 ILE MG 0.000 . 2.700 2.360 1.768 2.772 0.072 20 0 "[ . 1 . 2 ]" 1
1048 1 61 TYR QD 1 96 LEU QD 0.000 . 3.500 2.780 2.057 3.257 . 0 0 "[ . 1 . 2 ]" 1
1049 1 61 TYR QE 1 96 LEU QD 0.000 . 3.500 2.886 1.816 3.470 . 0 0 "[ . 1 . 2 ]" 1
1050 1 61 TYR QE 1 97 SER H 0.000 . 5.000 2.722 1.942 3.460 . 0 0 "[ . 1 . 2 ]" 1
1051 1 61 TYR QE 1 73 ILE MG 0.000 . 5.000 4.024 3.218 4.657 . 0 0 "[ . 1 . 2 ]" 1
1052 1 62 LYS H 1 73 ILE MG 0.000 . 5.000 3.933 3.562 4.360 . 0 0 "[ . 1 . 2 ]" 1
1053 1 63 ILE QG 1 72 TYR H 0.000 . 5.000 4.696 4.185 5.030 0.030 5 0 "[ . 1 . 2 ]" 1
1054 1 63 ILE QG 1 73 ILE H 0.000 . 5.000 4.008 3.476 4.835 . 0 0 "[ . 1 . 2 ]" 1
1055 1 63 ILE MG 1 72 TYR H 0.000 . 5.000 2.959 2.338 3.510 . 0 0 "[ . 1 . 2 ]" 1
1056 1 63 ILE MG 1 73 ILE H 0.000 . 5.000 4.472 3.879 4.873 . 0 0 "[ . 1 . 2 ]" 1
1057 1 63 ILE MD 1 73 ILE HA 0.000 . 5.000 4.486 3.099 5.019 0.019 7 0 "[ . 1 . 2 ]" 1
1058 1 63 ILE MD 1 73 ILE MD 0.000 . 3.500 2.640 1.879 3.139 . 0 0 "[ . 1 . 2 ]" 1
1059 1 64 ARG H 1 72 TYR H 0.000 . 3.500 3.190 2.791 3.430 . 0 0 "[ . 1 . 2 ]" 1
1060 1 64 ARG H 1 71 TYR HA 0.000 . 5.000 4.820 4.374 5.054 0.054 3 0 "[ . 1 . 2 ]" 1
1061 1 64 ARG H 1 71 TYR QD 0.000 . 5.000 4.825 4.062 5.117 0.117 13 0 "[ . 1 . 2 ]" 1
1062 1 64 ARG H 1 72 TYR QD 0.000 . 5.000 4.138 3.401 4.412 . 0 0 "[ . 1 . 2 ]" 1
1063 1 64 ARG H 1 72 TYR QE 0.000 . 5.000 4.302 3.580 4.752 . 0 0 "[ . 1 . 2 ]" 1
1064 1 65 LYS H 1 71 TYR QD 0.000 . 5.000 4.711 4.358 5.097 0.097 16 0 "[ . 1 . 2 ]" 1
1065 1 65 LYS H 1 72 TYR QE 0.000 . 5.000 3.849 3.158 4.638 . 0 0 "[ . 1 . 2 ]" 1
1066 1 65 LYS H 1 71 TYR HA 0.000 . 5.000 4.701 4.413 5.009 0.009 18 0 "[ . 1 . 2 ]" 1
1067 1 65 LYS HA 1 71 TYR H 0.000 . 5.000 4.422 4.146 4.736 . 0 0 "[ . 1 . 2 ]" 1
1068 1 65 LYS HA 1 72 TYR H 0.000 . 3.500 3.230 2.651 3.584 0.084 7 0 "[ . 1 . 2 ]" 1
1069 1 65 LYS HA 1 71 TYR HA 0.000 . 2.700 2.146 1.783 2.471 . 0 0 "[ . 1 . 2 ]" 1
1070 1 65 LYS HA 1 72 TYR QD 0.000 . 3.500 3.166 2.784 3.530 0.030 18 0 "[ . 1 . 2 ]" 1
1071 1 65 LYS HA 1 72 TYR QE 0.000 . 3.500 3.539 3.432 3.590 0.090 6 0 "[ . 1 . 2 ]" 1
1072 1 66 LEU H 1 71 TYR H 0.000 . 5.000 4.433 4.024 4.869 . 0 0 "[ . 1 . 2 ]" 1
1073 1 66 LEU H 1 72 TYR H 0.000 . 5.000 4.590 4.207 5.030 0.030 19 0 "[ . 1 . 2 ]" 1
1074 1 66 LEU H 1 71 TYR QD 0.000 . 5.000 4.735 3.826 5.115 0.115 12 0 "[ . 1 . 2 ]" 1
1075 1 66 LEU H 1 72 TYR QD 0.000 . 3.500 3.204 2.810 3.517 0.017 11 0 "[ . 1 . 2 ]" 1
1076 1 66 LEU H 1 72 TYR QE 0.000 . 3.500 3.419 3.144 3.589 0.089 11 0 "[ . 1 . 2 ]" 1
1077 1 66 LEU H 1 71 TYR HA 0.000 . 3.500 3.479 3.098 3.641 0.141 21 0 "[ . 1 . 2 ]" 1
1078 1 66 LEU HA 1 72 TYR QD 0.000 . 5.000 4.960 4.576 5.154 0.154 11 0 "[ . 1 . 2 ]" 1
1079 1 66 LEU HA 1 72 TYR QE 0.000 . 5.000 3.656 3.165 4.070 . 0 0 "[ . 1 . 2 ]" 1
1080 1 66 LEU QD 1 71 TYR H 0.000 . 5.000 4.182 3.591 4.753 . 0 0 "[ . 1 . 2 ]" 1
1081 1 66 LEU QD 1 72 TYR H 0.000 . 5.000 3.829 3.054 4.260 . 0 0 "[ . 1 . 2 ]" 1
1082 1 66 LEU QD 1 72 TYR QD 0.000 . 3.500 1.890 1.747 2.235 . 0 0 "[ . 1 . 2 ]" 1
1083 1 66 LEU QD 1 72 TYR QE 0.000 . 3.500 1.889 1.634 2.655 . 0 0 "[ . 1 . 2 ]" 1
1084 1 66 LEU QD 1 78 GLN HE21 0.000 . 5.000 2.843 1.592 4.222 . 0 0 "[ . 1 . 2 ]" 1
1085 1 66 LEU QD 1 78 GLN HE22 0.000 . 5.000 3.058 1.747 4.827 . 0 0 "[ . 1 . 2 ]" 1
1086 1 66 LEU QD 1 79 PHE H 0.000 . 5.000 4.280 3.627 4.936 . 0 0 "[ . 1 . 2 ]" 1
1087 1 70 GLY H 1 79 PHE H 0.000 . 5.000 4.747 3.639 5.103 0.103 8 0 "[ . 1 . 2 ]" 1
1088 1 70 GLY QA 1 79 PHE H 0.000 . 3.500 3.017 2.671 3.586 0.086 16 0 "[ . 1 . 2 ]" 1
1089 1 70 GLY H 1 80 GLU HA 0.000 . 5.000 4.535 3.351 5.009 0.009 13 0 "[ . 1 . 2 ]" 1
1090 1 71 TYR H 1 79 PHE QB 0.000 . 3.500 3.457 3.163 3.666 0.166 10 0 "[ . 1 . 2 ]" 1
1091 1 71 TYR H 1 79 PHE QD 0.000 . 5.000 4.736 4.409 5.022 0.022 22 0 "[ . 1 . 2 ]" 1
1092 1 71 TYR H 1 78 GLN HA 0.000 . 5.000 4.393 4.144 4.616 . 0 0 "[ . 1 . 2 ]" 1
1093 1 71 TYR H 1 78 GLN QB 0.000 . 3.500 3.425 3.220 3.568 0.068 3 0 "[ . 1 . 2 ]" 1
1094 1 71 TYR H 1 80 GLU HA 0.000 . 3.500 3.611 3.513 3.647 0.147 19 0 "[ . 1 . 2 ]" 1
1095 1 71 TYR H 1 79 PHE H 0.000 . 5.000 2.186 1.993 2.370 . 0 0 "[ . 1 . 2 ]" 1
1096 1 71 TYR H 1 81 THR H 0.000 . 5.000 4.476 4.276 4.821 . 0 0 "[ . 1 . 2 ]" 1
1097 1 71 TYR HB2 1 79 PHE H 0.000 . 3.500 3.233 2.954 3.572 0.072 21 0 "[ . 1 . 2 ]" 1
1098 1 71 TYR QD 1 81 THR HA 0.000 . 2.700 2.388 1.864 2.781 0.081 13 0 "[ . 1 . 2 ]" 1
1099 1 71 TYR QD 1 81 THR HB 0.000 . 5.000 4.560 4.119 4.895 . 0 0 "[ . 1 . 2 ]" 1
1100 1 71 TYR QD 1 81 THR MG 0.000 . 5.000 4.512 4.232 4.889 . 0 0 "[ . 1 . 2 ]" 1
1101 1 71 TYR QD 1 82 LEU HG 0.000 . 5.000 2.752 2.046 3.518 . 0 0 "[ . 1 . 2 ]" 1
1102 1 71 TYR QD 1 82 LEU MD2 0.000 . 3.500 2.941 1.949 3.545 0.045 17 0 "[ . 1 . 2 ]" 1
1103 1 71 TYR QD 1 82 LEU MD1 0.000 . 3.500 3.596 3.523 3.701 0.201 6 0 "[ . 1 . 2 ]" 1
1104 1 71 TYR QE 1 81 THR HA 0.000 . 2.700 2.560 2.243 2.745 0.045 16 0 "[ . 1 . 2 ]" 1
1105 1 71 TYR QE 1 81 THR HB 0.000 . 5.000 4.181 3.990 4.348 . 0 0 "[ . 1 . 2 ]" 1
1106 1 71 TYR QE 1 81 THR MG 0.000 . 5.000 5.033 4.879 5.137 0.137 6 0 "[ . 1 . 2 ]" 1
1107 1 71 TYR QE 1 82 LEU HG 0.000 . 5.000 2.756 2.053 3.254 . 0 0 "[ . 1 . 2 ]" 1
1108 1 71 TYR QE 1 82 LEU MD2 0.000 . 3.500 3.418 2.636 3.560 0.060 6 0 "[ . 1 . 2 ]" 1
1109 1 71 TYR QE 1 82 LEU MD1 0.000 . 3.500 2.467 1.854 3.111 . 0 0 "[ . 1 . 2 ]" 1
1110 1 72 TYR H 1 78 GLN HA 0.000 . 5.000 4.184 3.940 4.478 . 0 0 "[ . 1 . 2 ]" 1
1111 1 72 TYR HA 1 79 PHE H 0.000 . 5.000 4.221 4.113 4.349 . 0 0 "[ . 1 . 2 ]" 1
1112 1 72 TYR HA 1 78 GLN H 0.000 . 5.000 5.157 5.109 5.232 0.232 4 0 "[ . 1 . 2 ]" 1
1113 1 72 TYR HB2 1 77 ALA H 0.000 . 5.000 3.274 3.022 3.578 . 0 0 "[ . 1 . 2 ]" 1
1114 1 72 TYR HB3 1 77 ALA H 0.000 . 5.000 4.486 4.061 4.972 . 0 0 "[ . 1 . 2 ]" 1
1115 1 72 TYR HB3 1 78 GLN H 0.000 . 5.000 4.017 3.759 4.539 . 0 0 "[ . 1 . 2 ]" 1
1116 1 72 TYR QD 1 73 ILE HA 0.000 . 5.000 4.217 3.964 4.629 . 0 0 "[ . 1 . 2 ]" 1
1117 1 72 TYR QD 1 78 GLN HA 0.000 . 5.000 3.911 3.619 4.373 . 0 0 "[ . 1 . 2 ]" 1
1118 1 72 TYR QD 1 75 THR HA 0.000 . 3.500 2.616 1.875 2.853 . 0 0 "[ . 1 . 2 ]" 1
1119 1 72 TYR QD 1 75 THR HB 0.000 . 5.000 4.745 4.449 4.824 . 0 0 "[ . 1 . 2 ]" 1
1120 1 72 TYR QD 1 78 GLN HG3 0.000 . 5.000 4.371 3.226 5.062 0.062 9 0 "[ . 1 . 2 ]" 1
1121 1 72 TYR QD 1 78 GLN HG2 0.000 . 5.000 4.482 2.848 5.172 0.172 7 0 "[ . 1 . 2 ]" 1
1122 1 72 TYR QE 1 75 THR HA 0.000 . 5.000 3.527 3.028 3.942 . 0 0 "[ . 1 . 2 ]" 1
1123 1 72 TYR QE 1 73 ILE HA 0.000 . 5.000 5.099 5.060 5.182 0.182 13 0 "[ . 1 . 2 ]" 1
1124 1 72 TYR QE 1 75 THR HB 0.000 . 5.000 4.662 4.447 5.004 0.004 10 0 "[ . 1 . 2 ]" 1
1125 1 73 ILE MD 1 85 LEU MD1 0.000 . 3.500 2.843 2.411 3.320 . 0 0 "[ . 1 . 2 ]" 1
1126 1 73 ILE MD 1 96 LEU QD 0.000 . 3.500 2.516 1.787 3.247 . 0 0 "[ . 1 . 2 ]" 1
1127 1 73 ILE MD 1 89 TYR QD 0.000 . 5.000 3.642 2.597 4.368 . 0 0 "[ . 1 . 2 ]" 1
1128 1 73 ILE MD 1 89 TYR QE 0.000 . 5.000 3.025 1.759 3.850 . 0 0 "[ . 1 . 2 ]" 1
1129 1 73 ILE MG 1 96 LEU QD 0.000 . 3.500 3.287 2.911 3.519 0.019 8 0 "[ . 1 . 2 ]" 1
1130 1 79 PHE H 1 85 LEU MD2 0.000 . 5.000 4.932 4.275 5.069 0.069 16 0 "[ . 1 . 2 ]" 1
1131 1 79 PHE QB 1 84 GLN H 0.000 . 5.000 4.583 4.012 5.010 0.010 5 0 "[ . 1 . 2 ]" 1
1132 1 79 PHE QB 1 85 LEU H 0.000 . 3.500 3.270 2.733 3.509 0.009 5 0 "[ . 1 . 2 ]" 1
1133 1 79 PHE HZ 1 88 HIS HA 0.000 . 5.000 4.933 4.569 5.065 0.065 11 0 "[ . 1 . 2 ]" 1
1134 1 79 PHE HZ 1 88 HIS HB3 0.000 . 5.000 2.651 2.298 2.924 . 0 0 "[ . 1 . 2 ]" 1
1135 1 79 PHE HZ 1 88 HIS HB2 0.000 . 5.000 3.191 2.623 3.447 . 0 0 "[ . 1 . 2 ]" 1
1136 1 79 PHE HZ 1 89 TYR QD 0.000 . 5.000 4.045 3.222 4.759 . 0 0 "[ . 1 . 2 ]" 1
1137 1 79 PHE HZ 1 89 TYR QE 0.000 . 5.000 3.178 1.983 4.259 . 0 0 "[ . 1 . 2 ]" 1
1138 1 85 LEU MD1 1 100 LEU QD 0.000 . 3.500 2.986 2.385 3.390 . 0 0 "[ . 1 . 2 ]" 1
1139 1 85 LEU HA 1 100 LEU QD 0.000 . 5.000 5.029 4.882 5.125 0.125 5 0 "[ . 1 . 2 ]" 1
1140 1 86 VAL HB 1 100 LEU QD 0.000 . 3.500 2.324 1.922 2.975 . 0 0 "[ . 1 . 2 ]" 1
1141 1 86 VAL H 1 100 LEU QD 0.000 . 5.000 3.985 3.880 4.136 . 0 0 "[ . 1 . 2 ]" 1
1142 1 89 TYR H 1 100 LEU HG 0.000 . 5.000 4.916 4.583 5.188 0.188 20 0 "[ . 1 . 2 ]" 1
1143 1 89 TYR H 1 100 LEU QD 0.000 . 3.500 3.052 2.836 3.295 . 0 0 "[ . 1 . 2 ]" 1
1144 1 89 TYR HA 1 100 LEU H 0.000 . 5.000 4.942 4.120 5.185 0.185 5 0 "[ . 1 . 2 ]" 1
1145 1 89 TYR HA 1 100 LEU QD 0.000 . 5.000 3.496 3.089 3.686 . 0 0 "[ . 1 . 2 ]" 1
1146 1 89 TYR HB3 1 100 LEU QD 0.000 . 5.000 2.148 1.663 2.586 . 0 0 "[ . 1 . 2 ]" 1
1147 1 89 TYR HB3 1 100 LEU H 0.000 . 5.000 3.134 2.344 4.231 . 0 0 "[ . 1 . 2 ]" 1
1148 1 89 TYR QD 1 94 ALA MB 0.000 . 2.700 2.582 2.250 2.825 0.125 7 0 "[ . 1 . 2 ]" 1
1149 1 89 TYR QD 1 96 LEU QD 0.000 . 3.500 2.328 1.813 3.006 . 0 0 "[ . 1 . 2 ]" 1
1150 1 89 TYR QD 1 100 LEU QD 0.000 . 3.500 3.242 2.677 3.500 0.000 5 0 "[ . 1 . 2 ]" 1
1151 1 89 TYR QE 1 94 ALA MB 0.000 . 2.700 2.103 1.737 2.583 . 0 0 "[ . 1 . 2 ]" 1
1152 1 89 TYR QE 1 96 LEU H 0.000 . 5.000 4.556 4.114 5.019 0.019 17 0 "[ . 1 . 2 ]" 1
1153 1 89 TYR QE 1 96 LEU QD 0.000 . 3.500 2.551 1.768 3.410 . 0 0 "[ . 1 . 2 ]" 1
1154 1 90 SER H 1 100 LEU HG 0.000 . 5.000 4.145 2.973 4.721 . 0 0 "[ . 1 . 2 ]" 1
1155 1 90 SER H 1 100 LEU QD 0.000 . 5.000 2.401 2.162 2.835 . 0 0 "[ . 1 . 2 ]" 1
1156 1 90 SER HB3 1 100 LEU QD 0.000 . 5.000 3.465 3.265 4.077 . 0 0 "[ . 1 . 2 ]" 1
1157 1 90 SER HB2 1 100 LEU QD 0.000 . 5.000 2.844 2.399 3.352 . 0 0 "[ . 1 . 2 ]" 1
1158 1 91 GLU H 1 99 ARG QD 0.000 . 5.000 4.630 3.360 5.116 0.116 5 0 "[ . 1 . 2 ]" 1
1159 1 91 GLU H 1 100 LEU QD 0.000 . 5.000 3.999 3.600 4.215 . 0 0 "[ . 1 . 2 ]" 1
1160 1 92 ARG H 1 99 ARG QD 0.000 . 5.000 3.769 2.384 4.687 . 0 0 "[ . 1 . 2 ]" 1
1161 1 92 ARG H 1 100 LEU QD 0.000 . 5.000 4.290 3.974 4.462 . 0 0 "[ . 1 . 2 ]" 1
1162 1 93 ALA H 1 99 ARG QD 0.000 . 5.000 4.305 2.005 5.014 0.014 9 0 "[ . 1 . 2 ]" 1
1163 1 93 ALA HA 1 99 ARG H 0.000 . 3.500 2.989 1.842 3.696 0.196 5 0 "[ . 1 . 2 ]" 1
1164 1 93 ALA HA 1 100 LEU H 0.000 . 5.000 4.592 3.526 5.072 0.072 14 0 "[ . 1 . 2 ]" 1
1165 1 93 ALA MB 1 98 SER H 0.000 . 5.000 3.686 2.710 4.521 . 0 0 "[ . 1 . 2 ]" 1
1166 1 93 ALA MB 1 99 ARG H 0.000 . 5.000 3.013 1.839 3.837 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 155
_Distance_constraint_stats_list.Viol_total 255.946
_Distance_constraint_stats_list.Viol_max 0.753
_Distance_constraint_stats_list.Viol_rms 0.0334
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0751
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 TYR 2.335 0.196 1 0 "[ . 1 . 2 ]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 PHE 0.032 0.019 17 0 "[ . 1 . 2 ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LYS 2.223 0.084 16 0 "[ . 1 . 2 ]"
1 41 GLY 2.223 0.084 16 0 "[ . 1 . 2 ]"
1 42 ALA 0.502 0.027 6 0 "[ . 1 . 2 ]"
1 43 TYR 2.335 0.196 1 0 "[ . 1 . 2 ]"
1 44 SER 2.335 0.196 1 0 "[ . 1 . 2 ]"
1 45 LEU 2.127 0.169 13 0 "[ . 1 . 2 ]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 ARG 1.893 0.753 14 2 "[ . 1 - +. 2 ]"
1 49 ASP 1.893 0.753 14 2 "[ . 1 - +. 2 ]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 HIS 1.991 0.179 16 0 "[ . 1 . 2 ]"
1 58 VAL 3.750 0.753 14 2 "[ . 1 - +. 2 ]"
1 59 LYS 1.960 0.179 16 0 "[ . 1 . 2 ]"
1 60 HIS 0.019 0.014 18 0 "[ . 1 . 2 ]"
1 62 LYS 2.127 0.169 13 0 "[ . 1 . 2 ]"
1 63 ILE 2.127 0.169 13 0 "[ . 1 . 2 ]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 THR 0.143 0.040 19 0 "[ . 1 . 2 ]"
1 79 PHE 0.002 0.002 4 0 "[ . 1 . 2 ]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 0.355 0.126 15 0 "[ . 1 . 2 ]"
1 87 GLN 0.017 0.010 15 0 "[ . 1 . 2 ]"
1 88 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 TYR 0.688 0.126 15 0 "[ . 1 . 2 ]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 GLU 0.688 0.126 15 0 "[ . 1 . 2 ]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 LEU 0.319 0.079 5 0 "[ . 1 . 2 ]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 VAL 0.032 0.019 17 0 "[ . 1 . 2 ]"
1 103 PRO 0.138 0.063 21 0 "[ . 1 . 2 ]"
1 104 SER 0.138 0.063 21 0 "[ . 1 . 2 ]"
1 105 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 7 ILE 0.143 0.040 19 0 "[ . 1 . 2 ]"
2 9 ILE 0.051 0.022 13 0 "[ . 1 . 2 ]"
2 10 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 LEU 0.060 0.060 5 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 74 THR HB 2 7 ILE MD 0.000 . 3.500 2.050 1.837 2.500 . 0 0 "[ . 1 . 2 ]" 2
2 1 75 THR H 1 75 THR MG 0.000 . 3.500 2.280 2.064 2.792 . 0 0 "[ . 1 . 2 ]" 2
3 1 75 THR H 2 7 ILE MD 0.000 . 5.000 4.891 4.545 5.040 0.040 19 0 "[ . 1 . 2 ]" 2
4 2 9 ILE H 2 9 ILE MD 0.000 . 3.500 2.854 2.267 3.522 0.022 13 0 "[ . 1 . 2 ]" 2
5 2 9 ILE MD 2 10 TYR H 0.000 . 5.000 3.099 1.938 4.068 . 0 0 "[ . 1 . 2 ]" 2
6 2 11 LEU H 2 11 LEU QB 0.000 . 2.700 2.344 2.103 2.760 0.060 5 0 "[ . 1 . 2 ]" 2
7 1 2 ILE MD 1 5 GLU H 0.000 . 5.000 4.688 4.410 4.929 . 0 0 "[ . 1 . 2 ]" 2
8 1 7 TRP HZ2 1 8 TYR HB2 0.000 . 5.000 3.472 1.863 4.281 . 0 0 "[ . 1 . 2 ]" 2
9 1 2 ILE MD 1 7 TRP HH2 0.000 . 2.700 2.122 1.788 2.677 . 0 0 "[ . 1 . 2 ]" 2
10 1 9 PHE H 1 32 LEU QB 0.000 . 5.000 3.171 2.246 3.723 . 0 0 "[ . 1 . 2 ]" 2
11 1 10 GLY HA2 1 12 LEU H 0.000 . 5.000 4.718 4.529 4.927 . 0 0 "[ . 1 . 2 ]" 2
12 1 19 ARG H 1 21 LEU QB 0.000 . 5.000 4.473 4.194 4.818 . 0 0 "[ . 1 . 2 ]" 2
13 1 21 LEU H 1 21 LEU QB 0.000 . 2.700 2.307 2.072 2.665 . 0 0 "[ . 1 . 2 ]" 2
14 1 21 LEU QB 1 22 LEU H 0.000 . 2.700 2.146 1.901 2.351 . 0 0 "[ . 1 . 2 ]" 2
15 1 21 LEU QD 1 22 LEU H 0.000 . 5.000 2.606 2.571 2.636 . 0 0 "[ . 1 . 2 ]" 2
16 1 21 LEU QD 1 23 SER H 0.000 . 5.000 3.835 3.653 3.940 . 0 0 "[ . 1 . 2 ]" 2
17 1 27 PRO QB 1 30 THR HG1 0.000 . 5.000 4.272 3.358 4.844 . 0 0 "[ . 1 . 2 ]" 2
18 1 28 ARG HA 1 30 THR H 0.000 . 3.500 2.607 2.430 2.769 . 0 0 "[ . 1 . 2 ]" 2
19 1 30 THR MG 1 31 PHE H 0.000 . 5.000 3.139 1.834 3.682 . 0 0 "[ . 1 . 2 ]" 2
20 1 31 PHE HA 1 47 ILE MD 0.000 . 5.000 3.109 2.212 4.513 . 0 0 "[ . 1 . 2 ]" 2
21 1 32 LEU QB 1 33 ILE H 0.000 . 5.000 2.053 1.807 2.491 . 0 0 "[ . 1 . 2 ]" 2
22 1 36 SER HB2 1 37 GLU HA 0.000 . 5.000 4.180 3.954 4.488 . 0 0 "[ . 1 . 2 ]" 2
23 1 36 SER HB3 1 37 GLU HA 0.000 . 5.000 3.087 2.704 3.381 . 0 0 "[ . 1 . 2 ]" 2
24 1 40 LYS HA 1 41 GLY H 0.000 . 2.700 2.778 2.770 2.784 0.084 16 0 "[ . 1 . 2 ]" 2
25 1 40 LYS HA 1 42 ALA H 0.000 . 3.500 3.523 3.519 3.527 0.027 6 0 "[ . 1 . 2 ]" 2
26 1 33 ILE MG 1 44 SER H 0.000 . 5.000 2.440 2.201 2.799 . 0 0 "[ . 1 . 2 ]" 2
27 1 8 TYR QD 1 44 SER QB 0.000 . 3.500 3.606 3.505 3.696 0.196 1 0 "[ . 1 . 2 ]" 2
28 1 45 LEU H 1 45 LEU QD 0.000 . 5.000 3.052 2.429 3.732 . 0 0 "[ . 1 . 2 ]" 2
29 1 47 ILE H 1 59 LYS H 0.000 . 5.000 2.810 2.175 3.181 . 0 0 "[ . 1 . 2 ]" 2
30 1 28 ARG HA 1 48 ARG H 0.000 . 5.000 2.948 2.247 3.567 . 0 0 "[ . 1 . 2 ]" 2
31 1 21 LEU QD 1 49 ASP H 0.000 . 5.000 3.569 3.027 4.421 . 0 0 "[ . 1 . 2 ]" 2
32 1 49 ASP H 1 58 VAL HB 0.000 . 5.000 4.380 3.827 4.695 . 0 0 "[ . 1 . 2 ]" 2
33 1 51 ASP HA 1 52 ASP H 0.000 . 2.700 2.274 2.249 2.303 . 0 0 "[ . 1 . 2 ]" 2
34 1 51 ASP H 1 51 ASP HB3 0.000 . 3.500 3.359 2.992 3.495 . 0 0 "[ . 1 . 2 ]" 2
35 1 51 ASP H 1 51 ASP HB2 0.000 . 3.500 2.790 2.587 3.140 . 0 0 "[ . 1 . 2 ]" 2
36 1 51 ASP HB3 1 53 MET H 0.000 . 5.000 2.599 2.369 2.900 . 0 0 "[ . 1 . 2 ]" 2
37 1 51 ASP HB2 1 53 MET H 0.000 . 5.000 3.798 3.643 3.991 . 0 0 "[ . 1 . 2 ]" 2
38 1 51 ASP HA 1 53 MET H 0.000 . 3.500 2.798 2.695 2.903 . 0 0 "[ . 1 . 2 ]" 2
39 1 51 ASP HA 1 54 LYS H 0.000 . 5.000 3.901 3.595 4.186 . 0 0 "[ . 1 . 2 ]" 2
40 1 51 ASP HB3 1 55 GLY H 0.000 . 5.000 3.903 3.686 4.205 . 0 0 "[ . 1 . 2 ]" 2
41 1 51 ASP HB2 1 55 GLY H 0.000 . 5.000 4.352 4.164 4.937 . 0 0 "[ . 1 . 2 ]" 2
42 1 51 ASP HA 1 55 GLY H 0.000 . 5.000 4.161 3.952 4.296 . 0 0 "[ . 1 . 2 ]" 2
43 1 48 ARG QB 1 57 HIS H 0.000 . 5.000 4.542 3.992 5.067 0.067 14 0 "[ . 1 . 2 ]" 2
44 1 57 HIS H 1 58 VAL HB 0.000 . 5.000 4.988 4.564 5.179 0.179 16 0 "[ . 1 . 2 ]" 2
45 1 48 ARG QB 1 58 VAL H 0.000 . 5.000 5.005 4.666 5.753 0.753 14 2 "[ . 1 - +. 2 ]" 2
46 1 58 VAL H 1 58 VAL HB 0.000 . 3.500 3.006 2.796 3.459 . 0 0 "[ . 1 . 2 ]" 2
47 1 48 ARG QB 1 59 LYS H 0.000 . 5.000 4.377 3.770 5.018 0.018 17 0 "[ . 1 . 2 ]" 2
48 1 58 VAL HB 1 59 LYS H 0.000 . 3.500 2.380 2.188 2.681 . 0 0 "[ . 1 . 2 ]" 2
49 1 58 VAL HB 1 60 HIS HE1 0.000 . 5.000 4.481 4.139 5.014 0.014 18 0 "[ . 1 . 2 ]" 2
50 1 58 VAL HB 1 60 HIS H 0.000 . 3.500 2.278 1.868 3.443 . 0 0 "[ . 1 . 2 ]" 2
51 1 45 LEU H 1 63 ILE H 0.000 . 3.500 3.597 3.516 3.669 0.169 13 0 "[ . 1 . 2 ]" 2
52 1 69 GLY H 1 69 GLY QA 0.000 . 2.700 2.369 2.287 2.478 . 0 0 "[ . 1 . 2 ]" 2
53 1 63 ILE MG 1 71 TYR H 0.000 . 5.000 4.561 4.122 4.809 . 0 0 "[ . 1 . 2 ]" 2
54 1 69 GLY QA 1 71 TYR H 0.000 . 3.500 2.279 2.111 2.480 . 0 0 "[ . 1 . 2 ]" 2
55 1 66 LEU QB 1 72 TYR QE 0.000 . 5.000 3.558 1.845 3.975 . 0 0 "[ . 1 . 2 ]" 2
56 1 66 LEU QB 1 72 TYR QD 0.000 . 5.000 3.752 2.239 4.222 . 0 0 "[ . 1 . 2 ]" 2
57 1 71 TYR HB3 1 72 TYR H 0.000 . 3.500 2.822 2.249 3.041 . 0 0 "[ . 1 . 2 ]" 2
58 1 71 TYR HB3 1 79 PHE H 0.000 . 5.000 3.501 3.336 3.727 . 0 0 "[ . 1 . 2 ]" 2
59 1 79 PHE QB 1 86 VAL H 0.000 . 5.000 4.801 4.242 5.002 0.002 4 0 "[ . 1 . 2 ]" 2
60 1 81 THR HG1 1 82 LEU H 0.000 . 5.000 1.800 1.779 1.839 . 0 0 "[ . 1 . 2 ]" 2
61 1 8 TYR QE 1 82 LEU MD1 0.000 . 5.000 2.158 1.740 2.690 . 0 0 "[ . 1 . 2 ]" 2
62 1 83 GLN QB 1 86 VAL H 0.000 . 5.000 4.539 4.383 4.650 . 0 0 "[ . 1 . 2 ]" 2
63 1 85 LEU H 1 86 VAL H 0.000 . 2.700 2.430 2.354 2.512 . 0 0 "[ . 1 . 2 ]" 2
64 1 85 LEU HA 1 86 VAL H 0.000 . 5.000 3.187 3.143 3.250 . 0 0 "[ . 1 . 2 ]" 2
65 1 86 VAL H 1 86 VAL MG1 0.000 . 2.700 2.144 1.806 2.497 . 0 0 "[ . 1 . 2 ]" 2
66 1 86 VAL H 1 86 VAL MG2 0.000 . 2.700 1.911 1.750 2.094 . 0 0 "[ . 1 . 2 ]" 2
67 1 86 VAL H 1 89 TYR QD 0.000 . 5.000 4.844 4.286 5.126 0.126 15 0 "[ . 1 . 2 ]" 2
68 1 86 VAL H 1 87 GLN HB3 0.000 . 3.500 2.550 2.500 2.642 . 0 0 "[ . 1 . 2 ]" 2
69 1 86 VAL H 1 87 GLN HB2 0.000 . 3.500 2.463 2.383 2.534 . 0 0 "[ . 1 . 2 ]" 2
70 1 87 GLN H 1 89 TYR QD 0.000 . 5.000 4.689 4.427 5.010 0.010 15 0 "[ . 1 . 2 ]" 2
71 1 86 VAL MG1 1 88 HIS H 0.000 . 5.000 4.177 4.047 4.405 . 0 0 "[ . 1 . 2 ]" 2
72 1 86 VAL H 1 88 HIS H 0.000 . 5.000 2.530 2.416 2.713 . 0 0 "[ . 1 . 2 ]" 2
73 1 88 HIS H 1 89 TYR QD 0.000 . 5.000 3.387 3.276 3.530 . 0 0 "[ . 1 . 2 ]" 2
74 1 86 VAL H 1 89 TYR H 0.000 . 5.000 3.691 3.431 3.920 . 0 0 "[ . 1 . 2 ]" 2
75 1 89 TYR H 1 89 TYR QD 0.000 . 3.500 1.864 1.761 2.109 . 0 0 "[ . 1 . 2 ]" 2
76 1 89 TYR QD 1 90 SER H 0.000 . 3.500 2.517 2.331 2.659 . 0 0 "[ . 1 . 2 ]" 2
77 1 93 ALA MB 1 94 ALA H 0.000 . 2.700 2.394 2.004 2.613 . 0 0 "[ . 1 . 2 ]" 2
78 1 93 ALA MB 1 95 GLY H 0.000 . 2.700 2.270 2.119 2.380 . 0 0 "[ . 1 . 2 ]" 2
79 1 93 ALA MB 1 96 LEU H 0.000 . 3.500 2.824 2.676 3.011 . 0 0 "[ . 1 . 2 ]" 2
80 1 89 TYR QD 1 96 LEU H 0.000 . 5.000 4.943 4.683 5.079 0.079 5 0 "[ . 1 . 2 ]" 2
81 1 31 PHE QR 1 102 VAL H 0.000 . 5.000 3.876 2.519 5.019 0.019 17 0 "[ . 1 . 2 ]" 2
82 1 103 PRO QB 1 104 SER H 0.000 . 2.700 2.253 1.735 2.763 0.063 21 0 "[ . 1 . 2 ]" 2
83 1 2 ILE MD 1 105 HIS H 0.000 . 5.000 4.505 3.653 4.954 . 0 0 "[ . 1 . 2 ]" 2
84 1 105 HIS HA 1 106 LYS H 0.000 . 3.500 2.925 2.167 3.337 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 248
_Distance_constraint_stats_list.Viol_total 203.912
_Distance_constraint_stats_list.Viol_max 0.124
_Distance_constraint_stats_list.Viol_rms 0.0182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0374
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 GLY 0.046 0.025 12 0 "[ . 1 . 2 ]"
1 14 ARG 0.930 0.076 17 0 "[ . 1 . 2 ]"
1 15 LYS 1.332 0.083 2 0 "[ . 1 . 2 ]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 ALA 0.114 0.030 8 0 "[ . 1 . 2 ]"
1 18 GLU 1.165 0.076 17 0 "[ . 1 . 2 ]"
1 19 ARG 1.732 0.083 2 0 "[ . 1 . 2 ]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LEU 0.114 0.030 8 0 "[ . 1 . 2 ]"
1 22 LEU 0.235 0.065 17 0 "[ . 1 . 2 ]"
1 23 SER 0.401 0.054 16 0 "[ . 1 . 2 ]"
1 30 THR 0.090 0.027 20 0 "[ . 1 . 2 ]"
1 32 LEU 0.099 0.076 13 0 "[ . 1 . 2 ]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ARG 0.140 0.050 6 0 "[ . 1 . 2 ]"
1 35 GLU 0.046 0.025 12 0 "[ . 1 . 2 ]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 SER 0.140 0.050 6 0 "[ . 1 . 2 ]"
1 45 LEU 0.337 0.041 20 0 "[ . 1 . 2 ]"
1 46 SER 0.099 0.076 13 0 "[ . 1 . 2 ]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 ARG 0.090 0.027 20 0 "[ . 1 . 2 ]"
1 49 ASP 0.032 0.015 1 0 "[ . 1 . 2 ]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 HIS 0.032 0.015 1 0 "[ . 1 . 2 ]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 TYR 0.337 0.041 20 0 "[ . 1 . 2 ]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ARG 0.774 0.094 16 0 "[ . 1 . 2 ]"
1 66 LEU 0.095 0.038 12 0 "[ . 1 . 2 ]"
1 70 GLY 0.095 0.038 12 0 "[ . 1 . 2 ]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 TYR 0.774 0.094 16 0 "[ . 1 . 2 ]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 THR 1.215 0.124 15 0 "[ . 1 . 2 ]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 GLN 1.529 0.098 19 0 "[ . 1 . 2 ]"
1 84 GLN 0.377 0.100 5 0 "[ . 1 . 2 ]"
1 85 LEU 1.215 0.124 15 0 "[ . 1 . 2 ]"
1 86 VAL 0.606 0.059 19 0 "[ . 1 . 2 ]"
1 87 GLN 1.529 0.098 19 0 "[ . 1 . 2 ]"
1 88 HIS 1.295 0.102 6 0 "[ . 1 . 2 ]"
1 89 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 SER 0.606 0.059 19 0 "[ . 1 . 2 ]"
1 92 ARG 0.918 0.102 6 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 PHE H 1 33 ILE O 0.000 . 2.300 2.103 2.048 2.189 . 0 0 "[ . 1 . 2 ]" 3
2 1 9 PHE N 1 33 ILE O 0.000 . 3.300 3.029 2.804 3.153 . 0 0 "[ . 1 . 2 ]" 3
3 1 14 ARG O 1 18 GLU H 0.000 . 2.300 2.339 2.250 2.376 0.076 17 0 "[ . 1 . 2 ]" 3
4 1 14 ARG O 1 18 GLU N 0.000 . 3.300 3.260 3.183 3.313 0.013 8 0 "[ . 1 . 2 ]" 3
5 1 15 LYS O 1 19 ARG H 0.000 . 2.300 2.360 2.321 2.383 0.083 2 0 "[ . 1 . 2 ]" 3
6 1 15 LYS O 1 19 ARG N 0.000 . 3.300 3.229 3.083 3.310 0.010 7 0 "[ . 1 . 2 ]" 3
7 1 16 ASP O 1 20 GLN H 0.000 . 2.300 2.057 2.033 2.098 . 0 0 "[ . 1 . 2 ]" 3
8 1 16 ASP O 1 20 GLN N 0.000 . 3.300 2.743 2.477 2.960 . 0 0 "[ . 1 . 2 ]" 3
9 1 17 ALA O 1 21 LEU H 0.000 . 2.300 2.206 2.056 2.330 0.030 8 0 "[ . 1 . 2 ]" 3
10 1 17 ALA O 1 21 LEU N 0.000 . 3.300 3.053 2.801 3.211 . 0 0 "[ . 1 . 2 ]" 3
11 1 18 GLU O 1 22 LEU H 0.000 . 2.300 2.206 2.078 2.365 0.065 17 0 "[ . 1 . 2 ]" 3
12 1 18 GLU O 1 22 LEU N 0.000 . 3.300 3.099 2.854 3.274 . 0 0 "[ . 1 . 2 ]" 3
13 1 19 ARG O 1 23 SER H 0.000 . 2.300 2.236 2.079 2.354 0.054 16 0 "[ . 1 . 2 ]" 3
14 1 19 ARG O 1 23 SER N 0.000 . 3.300 2.955 2.564 3.176 . 0 0 "[ . 1 . 2 ]" 3
15 1 32 LEU H 1 46 SER O 0.000 . 2.300 2.108 2.040 2.376 0.076 13 0 "[ . 1 . 2 ]" 3
16 1 32 LEU N 1 46 SER O 0.000 . 3.300 2.723 2.490 3.061 . 0 0 "[ . 1 . 2 ]" 3
17 1 34 ARG H 1 44 SER O 0.000 . 2.300 2.241 2.079 2.350 0.050 6 0 "[ . 1 . 2 ]" 3
18 1 34 ARG N 1 44 SER O 0.000 . 3.300 3.066 2.927 3.204 . 0 0 "[ . 1 . 2 ]" 3
19 1 10 GLY O 1 35 GLU H 0.000 . 2.300 2.229 2.098 2.325 0.025 12 0 "[ . 1 . 2 ]" 3
20 1 10 GLY O 1 35 GLU N 0.000 . 3.300 3.052 2.890 3.170 . 0 0 "[ . 1 . 2 ]" 3
21 1 36 SER H 1 42 ALA O 0.000 . 2.300 2.031 1.989 2.055 . 0 0 "[ . 1 . 2 ]" 3
22 1 36 SER N 1 42 ALA O 0.000 . 3.300 2.924 2.867 2.989 . 0 0 "[ . 1 . 2 ]" 3
23 1 45 LEU H 1 61 TYR O 0.000 . 2.300 2.286 2.068 2.341 0.041 20 0 "[ . 1 . 2 ]" 3
24 1 45 LEU N 1 61 TYR O 0.000 . 3.300 2.868 2.618 3.011 . 0 0 "[ . 1 . 2 ]" 3
25 1 47 ILE H 1 59 LYS O 0.000 . 2.300 2.084 2.025 2.141 . 0 0 "[ . 1 . 2 ]" 3
26 1 47 ILE N 1 59 LYS O 0.000 . 3.300 2.963 2.643 3.050 . 0 0 "[ . 1 . 2 ]" 3
27 1 30 THR O 1 48 ARG H 0.000 . 2.300 2.158 2.061 2.327 0.027 20 0 "[ . 1 . 2 ]" 3
28 1 30 THR O 1 48 ARG N 0.000 . 3.300 2.956 2.665 3.253 . 0 0 "[ . 1 . 2 ]" 3
29 1 49 ASP H 1 57 HIS O 0.000 . 2.300 2.160 2.040 2.315 0.015 1 0 "[ . 1 . 2 ]" 3
30 1 49 ASP N 1 57 HIS O 0.000 . 3.300 3.096 2.796 3.271 . 0 0 "[ . 1 . 2 ]" 3
31 1 51 ASP H 1 55 GLY O 0.000 . 2.300 2.086 2.065 2.099 . 0 0 "[ . 1 . 2 ]" 3
32 1 51 ASP N 1 55 GLY O 0.000 . 3.300 3.004 2.957 3.039 . 0 0 "[ . 1 . 2 ]" 3
33 1 47 ILE O 1 59 LYS H 0.000 . 2.300 2.076 2.051 2.101 . 0 0 "[ . 1 . 2 ]" 3
34 1 47 ILE O 1 59 LYS N 0.000 . 3.300 2.909 2.772 3.051 . 0 0 "[ . 1 . 2 ]" 3
35 1 45 LEU O 1 61 TYR H 0.000 . 2.300 2.114 1.988 2.308 0.008 21 0 "[ . 1 . 2 ]" 3
36 1 45 LEU O 1 61 TYR N 0.000 . 3.300 2.877 2.743 3.049 . 0 0 "[ . 1 . 2 ]" 3
37 1 43 TYR O 1 63 ILE H 0.000 . 2.300 2.073 2.026 2.097 . 0 0 "[ . 1 . 2 ]" 3
38 1 43 TYR O 1 63 ILE N 0.000 . 3.300 2.848 2.697 2.943 . 0 0 "[ . 1 . 2 ]" 3
39 1 64 ARG H 1 72 TYR O 0.000 . 2.300 2.289 2.088 2.394 0.094 16 0 "[ . 1 . 2 ]" 3
40 1 64 ARG N 1 72 TYR O 0.000 . 3.300 3.190 2.902 3.317 0.017 21 0 "[ . 1 . 2 ]" 3
41 1 66 LEU H 1 70 GLY O 0.000 . 2.300 2.121 2.027 2.338 0.038 12 0 "[ . 1 . 2 ]" 3
42 1 66 LEU N 1 70 GLY O 0.000 . 3.300 2.946 2.656 3.221 . 0 0 "[ . 1 . 2 ]" 3
43 1 71 TYR H 1 79 PHE O 0.000 . 2.300 2.051 1.935 2.282 . 0 0 "[ . 1 . 2 ]" 3
44 1 71 TYR N 1 79 PHE O 0.000 . 3.300 2.895 2.728 3.127 . 0 0 "[ . 1 . 2 ]" 3
45 1 64 ARG O 1 72 TYR H 0.000 . 2.300 2.239 2.098 2.332 0.032 10 0 "[ . 1 . 2 ]" 3
46 1 64 ARG O 1 72 TYR N 0.000 . 3.300 3.091 2.903 3.268 . 0 0 "[ . 1 . 2 ]" 3
47 1 74 THR O 1 77 ALA H 0.000 . 2.300 2.090 2.055 2.160 . 0 0 "[ . 1 . 2 ]" 3
48 1 74 THR O 1 77 ALA N 0.000 . 3.300 3.066 3.034 3.134 . 0 0 "[ . 1 . 2 ]" 3
49 1 71 TYR O 1 79 PHE H 0.000 . 2.300 2.052 1.941 2.103 . 0 0 "[ . 1 . 2 ]" 3
50 1 71 TYR O 1 79 PHE N 0.000 . 3.300 2.697 2.542 2.839 . 0 0 "[ . 1 . 2 ]" 3
51 1 81 THR O 1 85 LEU H 0.000 . 2.300 2.355 2.285 2.424 0.124 15 0 "[ . 1 . 2 ]" 3
52 1 81 THR O 1 85 LEU N 0.000 . 3.300 3.216 3.125 3.296 . 0 0 "[ . 1 . 2 ]" 3
53 1 82 LEU O 1 86 VAL H 0.000 . 2.300 2.053 2.002 2.140 . 0 0 "[ . 1 . 2 ]" 3
54 1 82 LEU O 1 86 VAL N 0.000 . 3.300 2.934 2.846 3.016 . 0 0 "[ . 1 . 2 ]" 3
55 1 83 GLN O 1 87 GLN H 0.000 . 2.300 2.370 2.306 2.398 0.098 19 0 "[ . 1 . 2 ]" 3
56 1 83 GLN O 1 87 GLN N 0.000 . 3.300 3.045 2.929 3.131 . 0 0 "[ . 1 . 2 ]" 3
57 1 84 GLN O 1 88 HIS H 0.000 . 2.300 2.248 2.048 2.400 0.100 5 0 "[ . 1 . 2 ]" 3
58 1 84 GLN O 1 88 HIS N 0.000 . 3.300 3.118 2.939 3.267 . 0 0 "[ . 1 . 2 ]" 3
59 1 85 LEU O 1 89 TYR H 0.000 . 2.300 1.890 1.837 1.976 . 0 0 "[ . 1 . 2 ]" 3
60 1 85 LEU O 1 89 TYR N 0.000 . 3.300 2.815 2.732 2.874 . 0 0 "[ . 1 . 2 ]" 3
61 1 86 VAL O 1 90 SER H 0.000 . 2.300 2.299 2.089 2.359 0.059 19 0 "[ . 1 . 2 ]" 3
62 1 86 VAL O 1 90 SER N 0.000 . 3.300 2.849 2.662 3.047 . 0 0 "[ . 1 . 2 ]" 3
63 1 88 HIS O 1 92 ARG H 0.000 . 2.300 2.336 2.208 2.402 0.102 6 0 "[ . 1 . 2 ]" 3
64 1 88 HIS O 1 92 ARG N 0.000 . 3.300 3.050 2.723 3.189 . 0 0 "[ . 1 . 2 ]" 3
stop_
save_
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