NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400555 |
1uw0   |
6035 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uw0
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 464
_Distance_constraint_stats_list.Viol_count 2717
_Distance_constraint_stats_list.Viol_total 3697.400
_Distance_constraint_stats_list.Viol_max 0.235
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0486
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 5 ARG 0.471 0.074 26 0 "[ . 1 . 2 . ]"
1 6 PHE 7.880 0.215 25 0 "[ . 1 . 2 . ]"
1 7 CYS 5.027 0.188 21 0 "[ . 1 . 2 . ]"
1 8 VAL 0.763 0.074 10 0 "[ . 1 . 2 . ]"
1 9 ASP 3.290 0.125 25 0 "[ . 1 . 2 . ]"
1 10 TYR 6.919 0.145 20 0 "[ . 1 . 2 . ]"
1 11 ALA 2.388 0.144 15 0 "[ . 1 . 2 . ]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 15 THR 0.333 0.043 28 0 "[ . 1 . 2 . ]"
1 16 ALA 6.495 0.210 23 0 "[ . 1 . 2 . ]"
1 17 GLY 0.259 0.047 16 0 "[ . 1 . 2 . ]"
1 18 CYS 2.087 0.175 23 0 "[ . 1 . 2 . ]"
1 19 LYS 0.844 0.147 16 0 "[ . 1 . 2 . ]"
1 20 LYS 2.508 0.235 23 0 "[ . 1 . 2 . ]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 23 GLU 1.172 0.098 11 0 "[ . 1 . 2 . ]"
1 24 LYS 9.146 0.210 23 0 "[ . 1 . 2 . ]"
1 25 ILE 3.346 0.109 4 0 "[ . 1 . 2 . ]"
1 26 VAL 2.699 0.226 27 0 "[ . 1 . 2 . ]"
1 27 LYS 2.730 0.226 27 0 "[ . 1 . 2 . ]"
1 28 GLY 0.070 0.027 7 0 "[ . 1 . 2 . ]"
1 29 VAL 2.513 0.144 15 0 "[ . 1 . 2 . ]"
1 30 CYS 0.973 0.052 18 0 "[ . 1 . 2 . ]"
1 31 ARG 2.208 0.125 25 0 "[ . 1 . 2 . ]"
1 32 ILE 5.424 0.134 19 0 "[ . 1 . 2 . ]"
1 33 GLY 1.592 0.090 11 0 "[ . 1 . 2 . ]"
1 34 LYS 5.676 0.180 26 0 "[ . 1 . 2 . ]"
1 35 VAL 1.424 0.086 11 0 "[ . 1 . 2 . ]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 37 PRO 0.683 0.049 8 0 "[ . 1 . 2 . ]"
1 38 ASN 0.375 0.049 8 0 "[ . 1 . 2 . ]"
1 40 PHE 0.338 0.025 2 0 "[ . 1 . 2 . ]"
1 41 SER 0.361 0.025 2 0 "[ . 1 . 2 . ]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 46 ASP 0.890 0.091 15 0 "[ . 1 . 2 . ]"
1 47 MET 0.915 0.091 15 0 "[ . 1 . 2 . ]"
1 48 LYS 2.519 0.086 11 0 "[ . 1 . 2 . ]"
1 49 GLU 1.584 0.109 28 0 "[ . 1 . 2 . ]"
1 50 TRP 5.111 0.169 26 0 "[ . 1 . 2 . ]"
1 51 TYR 11.232 0.235 23 0 "[ . 1 . 2 . ]"
1 52 HIS 11.761 0.194 22 0 "[ . 1 . 2 . ]"
1 53 ILE 7.053 0.181 20 0 "[ . 1 . 2 . ]"
1 54 LYS 3.769 0.104 4 0 "[ . 1 . 2 . ]"
1 55 CYS 7.568 0.179 19 0 "[ . 1 . 2 . ]"
1 56 MET 8.836 0.134 14 0 "[ . 1 . 2 . ]"
1 57 PHE 12.716 0.123 19 0 "[ . 1 . 2 . ]"
1 58 GLU 8.265 0.179 19 0 "[ . 1 . 2 . ]"
1 59 LYS 8.172 0.134 14 0 "[ . 1 . 2 . ]"
1 60 LEU 4.750 0.089 20 0 "[ . 1 . 2 . ]"
1 61 GLU 2.769 0.083 11 0 "[ . 1 . 2 . ]"
1 62 ARG 3.180 0.078 4 0 "[ . 1 . 2 . ]"
1 63 ALA 1.359 0.082 24 0 "[ . 1 . 2 . ]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 70 ILE 1.649 0.069 28 0 "[ . 1 . 2 . ]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 72 ASP 0.336 0.046 20 0 "[ . 1 . 2 . ]"
1 73 LEU 0.896 0.079 17 0 "[ . 1 . 2 . ]"
1 74 THR 1.750 0.093 10 0 "[ . 1 . 2 . ]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 76 LEU 4.202 0.215 25 0 "[ . 1 . 2 . ]"
1 77 GLU 1.888 0.131 28 0 "[ . 1 . 2 . ]"
1 78 GLY 0.322 0.066 26 0 "[ . 1 . 2 . ]"
1 79 TRP 2.744 0.131 3 0 "[ . 1 . 2 . ]"
1 80 GLU 0.406 0.071 10 0 "[ . 1 . 2 . ]"
1 81 GLU 0.228 0.071 10 0 "[ . 1 . 2 . ]"
1 82 LEU 3.641 0.145 20 0 "[ . 1 . 2 . ]"
1 83 GLU 0.171 0.024 9 0 "[ . 1 . 2 . ]"
1 84 ASP 2.929 0.103 10 0 "[ . 1 . 2 . ]"
1 85 ASN 6.352 0.103 10 0 "[ . 1 . 2 . ]"
1 86 GLU 5.469 0.101 11 0 "[ . 1 . 2 . ]"
1 87 LYS 5.220 0.087 4 0 "[ . 1 . 2 . ]"
1 88 GLU 4.068 0.087 4 0 "[ . 1 . 2 . ]"
1 89 GLN 3.721 0.104 9 0 "[ . 1 . 2 . ]"
1 90 ILE 2.995 0.104 9 0 "[ . 1 . 2 . ]"
1 91 THR 3.579 0.094 16 0 "[ . 1 . 2 . ]"
1 92 GLN 3.262 0.094 16 0 "[ . 1 . 2 . ]"
1 93 HIS 7.428 0.181 20 0 "[ . 1 . 2 . ]"
1 94 ILE 7.284 0.113 21 0 "[ . 1 . 2 . ]"
1 95 ALA 5.618 0.089 9 0 "[ . 1 . 2 . ]"
1 96 ASP 3.882 0.089 9 0 "[ . 1 . 2 . ]"
1 97 LEU 0.621 0.030 6 0 "[ . 1 . 2 . ]"
1 98 SER 0.878 0.051 4 0 "[ . 1 . 2 . ]"
1 99 SER 0.078 0.025 23 0 "[ . 1 . 2 . ]"
1 100 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 104 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 109 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 112 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 115 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 116 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLN H 1 4 GLN QG 5.000 . 5.000 3.241 2.098 4.262 . 0 0 "[ . 1 . 2 . ]" 1
2 1 4 GLN H 1 5 ARG H 5.000 . 5.000 4.415 3.795 4.576 . 0 0 "[ . 1 . 2 . ]" 1
3 1 5 ARG H 1 6 PHE QD 5.000 . 5.000 4.603 4.070 4.943 . 0 0 "[ . 1 . 2 . ]" 1
4 1 5 ARG H 1 35 VAL H 5.000 . 5.000 3.376 2.765 3.676 . 0 0 "[ . 1 . 2 . ]" 1
5 1 5 ARG H 1 35 VAL MG1 5.000 . 5.000 4.590 4.197 4.881 . 0 0 "[ . 1 . 2 . ]" 1
6 1 5 ARG H 1 35 VAL MG2 5.000 . 5.000 4.880 4.291 5.024 0.024 13 0 "[ . 1 . 2 . ]" 1
7 1 5 ARG HA 1 6 PHE H 2.300 . 2.300 2.296 2.248 2.374 0.074 26 0 "[ . 1 . 2 . ]" 1
8 1 5 ARG QB 1 6 PHE H 5.000 . 5.000 3.381 2.957 3.868 . 0 0 "[ . 1 . 2 . ]" 1
9 1 5 ARG QB 1 35 VAL MG1 5.000 . 5.000 3.400 2.933 4.190 . 0 0 "[ . 1 . 2 . ]" 1
10 1 6 PHE HA 1 7 CYS H 2.300 . 2.300 2.307 2.276 2.366 0.066 13 0 "[ . 1 . 2 . ]" 1
11 1 6 PHE HA 1 34 LYS HA 2.300 . 2.300 2.166 1.972 2.337 0.037 15 0 "[ . 1 . 2 . ]" 1
12 1 6 PHE HA 1 35 VAL H 3.500 . 3.500 3.302 3.067 3.522 0.022 16 0 "[ . 1 . 2 . ]" 1
13 1 6 PHE QB 1 7 CYS H 5.000 . 5.000 3.238 2.941 3.418 . 0 0 "[ . 1 . 2 . ]" 1
14 1 6 PHE QB 1 76 LEU MD1 2.900 . 2.900 2.206 1.694 2.954 0.054 11 0 "[ . 1 . 2 . ]" 1
15 1 6 PHE QD 1 7 CYS H 3.500 . 3.500 3.117 2.742 3.513 0.013 11 0 "[ . 1 . 2 . ]" 1
16 1 6 PHE QD 1 32 ILE HB 3.500 . 3.500 3.586 3.527 3.634 0.134 19 0 "[ . 1 . 2 . ]" 1
17 1 6 PHE QD 1 32 ILE MG 3.500 . 3.500 1.834 1.806 2.019 . 0 0 "[ . 1 . 2 . ]" 1
18 1 6 PHE QD 1 34 LYS H 5.000 . 5.000 4.878 4.527 5.035 0.035 11 0 "[ . 1 . 2 . ]" 1
19 1 6 PHE QD 1 34 LYS HA 3.500 . 3.500 3.546 3.195 3.671 0.171 17 0 "[ . 1 . 2 . ]" 1
20 1 6 PHE QD 1 34 LYS QB 3.500 . 3.500 3.366 2.915 3.523 0.023 4 0 "[ . 1 . 2 . ]" 1
21 1 6 PHE QD 1 34 LYS QD 5.000 . 5.000 4.150 3.498 5.020 0.020 9 0 "[ . 1 . 2 . ]" 1
22 1 6 PHE QD 1 34 LYS QG 5.000 . 5.000 3.349 2.608 4.936 . 0 0 "[ . 1 . 2 . ]" 1
23 1 6 PHE QD 1 35 VAL H 5.000 . 5.000 4.935 4.568 5.050 0.050 25 0 "[ . 1 . 2 . ]" 1
24 1 6 PHE QD 1 70 ILE MD 3.500 . 3.500 3.121 2.111 3.517 0.017 17 0 "[ . 1 . 2 . ]" 1
25 1 6 PHE QD 1 76 LEU MD1 3.500 . 3.500 3.489 3.345 3.553 0.053 4 0 "[ . 1 . 2 . ]" 1
26 1 6 PHE QE 1 32 ILE HB 3.500 . 3.500 3.452 3.149 3.546 0.046 11 0 "[ . 1 . 2 . ]" 1
27 1 6 PHE QE 1 32 ILE MG 3.500 . 3.500 2.967 2.643 3.225 . 0 0 "[ . 1 . 2 . ]" 1
28 1 6 PHE QE 1 34 LYS HA 5.000 . 5.000 4.134 3.929 4.434 . 0 0 "[ . 1 . 2 . ]" 1
29 1 6 PHE QE 1 34 LYS QB 3.500 . 3.500 2.585 2.186 2.924 . 0 0 "[ . 1 . 2 . ]" 1
30 1 6 PHE QE 1 34 LYS QD 5.000 . 5.000 2.671 2.022 3.808 . 0 0 "[ . 1 . 2 . ]" 1
31 1 6 PHE QE 1 34 LYS QG 5.000 . 5.000 2.964 2.448 4.220 . 0 0 "[ . 1 . 2 . ]" 1
32 1 6 PHE QE 1 70 ILE MD 3.500 . 3.500 3.113 2.505 3.526 0.026 21 0 "[ . 1 . 2 . ]" 1
33 1 6 PHE QE 1 76 LEU MD1 5.000 . 5.000 5.006 4.707 5.215 0.215 25 0 "[ . 1 . 2 . ]" 1
34 1 6 PHE HZ 1 60 LEU MD1 5.000 . 5.000 4.953 4.315 5.035 0.035 19 0 "[ . 1 . 2 . ]" 1
35 1 6 PHE HZ 1 70 ILE MD 5.000 . 5.000 3.937 3.227 4.681 . 0 0 "[ . 1 . 2 . ]" 1
36 1 7 CYS H 1 32 ILE MG 5.000 . 5.000 2.755 2.367 3.426 . 0 0 "[ . 1 . 2 . ]" 1
37 1 7 CYS H 1 33 GLY H 3.500 . 3.500 2.896 2.604 3.174 . 0 0 "[ . 1 . 2 . ]" 1
38 1 7 CYS H 1 34 LYS HA 3.500 . 3.500 3.459 3.147 3.631 0.131 28 0 "[ . 1 . 2 . ]" 1
39 1 7 CYS H 1 50 TRP HZ3 5.000 . 5.000 4.893 4.616 5.077 0.077 22 0 "[ . 1 . 2 . ]" 1
40 1 7 CYS HA 1 8 VAL H 2.900 . 2.900 2.422 2.256 2.531 . 0 0 "[ . 1 . 2 . ]" 1
41 1 7 CYS HA 1 76 LEU HA 5.000 . 5.000 4.453 3.571 5.176 0.176 22 0 "[ . 1 . 2 . ]" 1
42 1 7 CYS HA 1 76 LEU MD2 5.000 . 5.000 4.142 3.055 5.188 0.188 21 0 "[ . 1 . 2 . ]" 1
43 1 7 CYS HA 1 77 GLU H 5.000 . 5.000 3.066 2.122 4.613 . 0 0 "[ . 1 . 2 . ]" 1
44 1 7 CYS HA 1 77 GLU QB 2.900 . 2.900 2.930 2.467 3.031 0.131 28 0 "[ . 1 . 2 . ]" 1
45 1 7 CYS HA 1 77 GLU QG 5.000 . 5.000 4.518 3.566 4.988 . 0 0 "[ . 1 . 2 . ]" 1
46 1 7 CYS QB 1 8 VAL H 5.000 . 5.000 3.059 2.615 3.888 . 0 0 "[ . 1 . 2 . ]" 1
47 1 8 VAL H 1 77 GLU HA 5.000 . 5.000 4.240 2.181 5.054 0.054 3 0 "[ . 1 . 2 . ]" 1
48 1 8 VAL H 1 77 GLU QB 5.000 . 5.000 3.487 2.140 4.304 . 0 0 "[ . 1 . 2 . ]" 1
49 1 8 VAL H 1 77 GLU HG2 5.000 . 5.000 4.936 4.751 5.066 0.066 15 0 "[ . 1 . 2 . ]" 1
50 1 8 VAL HA 1 9 ASP H 2.300 . 2.300 2.259 2.223 2.301 0.001 8 0 "[ . 1 . 2 . ]" 1
51 1 8 VAL HA 1 32 ILE HA 2.300 . 2.300 2.082 1.933 2.330 0.030 2 0 "[ . 1 . 2 . ]" 1
52 1 8 VAL HA 1 33 GLY H 3.500 . 3.500 3.283 2.823 3.509 0.009 28 0 "[ . 1 . 2 . ]" 1
53 1 8 VAL HB 1 9 ASP H 5.000 . 5.000 3.621 3.108 4.457 . 0 0 "[ . 1 . 2 . ]" 1
54 1 8 VAL MG2 1 77 GLU H 5.000 . 5.000 4.245 3.176 5.009 0.009 10 0 "[ . 1 . 2 . ]" 1
55 1 8 VAL MG2 1 79 TRP HA 3.500 . 3.500 3.192 2.357 3.574 0.074 10 0 "[ . 1 . 2 . ]" 1
56 1 8 VAL MG2 1 79 TRP QB 5.000 . 5.000 2.724 2.257 3.194 . 0 0 "[ . 1 . 2 . ]" 1
57 1 9 ASP H 1 31 ARG H 3.500 . 3.500 3.303 2.810 3.562 0.062 12 0 "[ . 1 . 2 . ]" 1
58 1 9 ASP H 1 31 ARG QG 5.000 . 5.000 3.562 2.587 5.125 0.125 25 0 "[ . 1 . 2 . ]" 1
59 1 9 ASP H 1 32 ILE HA 3.500 . 3.500 3.113 2.641 3.549 0.049 19 0 "[ . 1 . 2 . ]" 1
60 1 9 ASP H 1 50 TRP HZ3 3.500 . 3.500 3.530 3.504 3.557 0.057 24 0 "[ . 1 . 2 . ]" 1
61 1 9 ASP HA 1 10 TYR H 2.300 . 2.300 2.343 2.265 2.422 0.122 15 0 "[ . 1 . 2 . ]" 1
62 1 9 ASP HA 1 82 LEU MD1 3.500 . 3.500 3.263 2.141 3.583 0.083 26 0 "[ . 1 . 2 . ]" 1
63 1 9 ASP QB 1 10 TYR H 5.000 . 5.000 3.317 2.687 3.911 . 0 0 "[ . 1 . 2 . ]" 1
64 1 10 TYR HA 1 11 ALA H 2.300 . 2.300 2.346 2.267 2.397 0.097 11 0 "[ . 1 . 2 . ]" 1
65 1 10 TYR HA 1 30 CYS HA 2.300 . 2.300 2.178 1.963 2.352 0.052 18 0 "[ . 1 . 2 . ]" 1
66 1 10 TYR HA 1 31 ARG H 3.500 . 3.500 2.973 2.754 3.209 . 0 0 "[ . 1 . 2 . ]" 1
67 1 10 TYR QB 1 11 ALA H 5.000 . 5.000 3.067 2.727 3.355 . 0 0 "[ . 1 . 2 . ]" 1
68 1 10 TYR QB 1 31 ARG H 5.000 . 5.000 5.010 4.786 5.091 0.091 22 0 "[ . 1 . 2 . ]" 1
69 1 10 TYR QD 1 11 ALA H 5.000 . 5.000 2.591 2.157 4.111 . 0 0 "[ . 1 . 2 . ]" 1
70 1 10 TYR QD 1 29 VAL HA 5.000 . 5.000 4.537 3.948 5.028 0.028 22 0 "[ . 1 . 2 . ]" 1
71 1 10 TYR QD 1 30 CYS H 5.000 . 5.000 4.081 3.626 4.418 . 0 0 "[ . 1 . 2 . ]" 1
72 1 10 TYR QD 1 30 CYS HA 5.000 . 5.000 2.702 2.348 3.082 . 0 0 "[ . 1 . 2 . ]" 1
73 1 10 TYR QD 1 30 CYS QB 3.500 . 3.500 3.343 2.179 3.543 0.043 12 0 "[ . 1 . 2 . ]" 1
74 1 10 TYR QD 1 31 ARG H 5.000 . 5.000 4.531 4.231 4.880 . 0 0 "[ . 1 . 2 . ]" 1
75 1 10 TYR QD 1 82 LEU H 5.000 . 5.000 5.075 5.019 5.145 0.145 20 0 "[ . 1 . 2 . ]" 1
76 1 10 TYR QD 1 82 LEU MD1 5.000 . 5.000 2.057 1.918 2.822 . 0 0 "[ . 1 . 2 . ]" 1
77 1 10 TYR QE 1 30 CYS HA 5.000 . 5.000 3.515 3.059 4.426 . 0 0 "[ . 1 . 2 . ]" 1
78 1 10 TYR QE 1 30 CYS QB 3.500 . 3.500 2.442 1.912 3.504 0.004 8 0 "[ . 1 . 2 . ]" 1
79 1 10 TYR QE 1 82 LEU HA 5.000 . 5.000 4.173 1.953 5.032 0.032 18 0 "[ . 1 . 2 . ]" 1
80 1 10 TYR QE 1 82 LEU MD1 2.900 . 2.900 2.722 2.093 2.980 0.080 26 0 "[ . 1 . 2 . ]" 1
81 1 10 TYR QE 1 83 GLU H 3.500 . 3.500 3.311 2.490 3.524 0.024 9 0 "[ . 1 . 2 . ]" 1
82 1 10 TYR QE 1 86 GLU HA 5.000 . 5.000 4.572 4.210 5.050 0.050 8 0 "[ . 1 . 2 . ]" 1
83 1 10 TYR QE 1 86 GLU QB 5.000 . 5.000 2.244 1.900 3.313 . 0 0 "[ . 1 . 2 . ]" 1
84 1 11 ALA H 1 12 LYS H 5.000 . 5.000 4.591 4.246 4.717 . 0 0 "[ . 1 . 2 . ]" 1
85 1 11 ALA H 1 29 VAL H 3.500 . 3.500 3.460 3.072 3.566 0.066 8 0 "[ . 1 . 2 . ]" 1
86 1 11 ALA H 1 29 VAL MG1 5.000 . 5.000 4.079 2.943 5.144 0.144 15 0 "[ . 1 . 2 . ]" 1
87 1 11 ALA H 1 30 CYS HA 3.500 . 3.500 3.316 2.944 3.532 0.032 25 0 "[ . 1 . 2 . ]" 1
88 1 11 ALA HA 1 12 LYS H 5.000 . 5.000 2.275 2.244 2.364 . 0 0 "[ . 1 . 2 . ]" 1
89 1 11 ALA MB 1 29 VAL H 5.000 . 5.000 2.595 2.014 3.481 . 0 0 "[ . 1 . 2 . ]" 1
90 1 12 LYS H 1 13 ARG H 5.000 . 5.000 2.698 2.326 4.423 . 0 0 "[ . 1 . 2 . ]" 1
91 1 14 GLY QA 1 15 THR H 5.000 . 5.000 2.288 2.200 2.359 . 0 0 "[ . 1 . 2 . ]" 1
92 1 15 THR H 1 16 ALA H 5.000 . 5.000 4.429 4.152 4.565 . 0 0 "[ . 1 . 2 . ]" 1
93 1 15 THR HA 1 16 ALA H 2.300 . 2.300 2.302 2.259 2.343 0.043 28 0 "[ . 1 . 2 . ]" 1
94 1 16 ALA H 1 17 GLY H 5.000 . 5.000 4.384 3.986 4.539 . 0 0 "[ . 1 . 2 . ]" 1
95 1 16 ALA HA 1 17 GLY H 2.300 . 2.300 2.291 2.239 2.347 0.047 16 0 "[ . 1 . 2 . ]" 1
96 1 16 ALA HA 1 24 LYS HA 5.000 . 5.000 5.127 5.035 5.210 0.210 23 0 "[ . 1 . 2 . ]" 1
97 1 16 ALA MB 1 17 GLY H 5.000 . 5.000 3.068 2.837 3.607 . 0 0 "[ . 1 . 2 . ]" 1
98 1 16 ALA MB 1 25 ILE MD 2.900 . 2.900 2.692 2.093 2.914 0.014 2 0 "[ . 1 . 2 . ]" 1
99 1 16 ALA MB 1 50 TRP HD1 3.500 . 3.500 3.378 2.532 3.570 0.070 18 0 "[ . 1 . 2 . ]" 1
100 1 16 ALA MB 1 50 TRP HE1 5.000 . 5.000 4.997 4.279 5.169 0.169 26 0 "[ . 1 . 2 . ]" 1
101 1 17 GLY H 1 18 CYS H 5.000 . 5.000 4.586 4.476 4.708 . 0 0 "[ . 1 . 2 . ]" 1
102 1 17 GLY QA 1 18 CYS H 2.300 . 2.300 2.202 2.183 2.296 . 0 0 "[ . 1 . 2 . ]" 1
103 1 18 CYS H 1 19 LYS H 5.000 . 5.000 4.641 4.540 4.731 . 0 0 "[ . 1 . 2 . ]" 1
104 1 18 CYS H 1 25 ILE MD 5.000 . 5.000 3.819 2.763 4.267 . 0 0 "[ . 1 . 2 . ]" 1
105 1 18 CYS H 1 52 HIS HE1 3.500 . 3.500 3.542 3.386 3.675 0.175 23 0 "[ . 1 . 2 . ]" 1
106 1 18 CYS HA 1 19 LYS H 2.300 . 2.300 2.238 2.184 2.380 0.080 1 0 "[ . 1 . 2 . ]" 1
107 1 18 CYS HA 1 25 ILE MD 3.500 . 3.500 2.355 1.852 3.200 . 0 0 "[ . 1 . 2 . ]" 1
108 1 18 CYS HA 1 51 TYR HA 5.000 . 5.000 3.375 2.579 3.778 . 0 0 "[ . 1 . 2 . ]" 1
109 1 18 CYS QB 1 52 HIS HE1 2.900 . 2.900 2.326 1.952 2.993 0.093 2 0 "[ . 1 . 2 . ]" 1
110 1 19 LYS H 1 19 LYS QG 5.000 . 5.000 3.096 2.335 4.102 . 0 0 "[ . 1 . 2 . ]" 1
111 1 19 LYS H 1 20 LYS H 5.000 . 5.000 4.733 4.662 4.764 . 0 0 "[ . 1 . 2 . ]" 1
112 1 19 LYS H 1 51 TYR HA 3.500 . 3.500 3.331 3.007 3.647 0.147 16 0 "[ . 1 . 2 . ]" 1
113 1 19 LYS HA 1 20 LYS H 5.000 . 5.000 2.386 2.337 2.440 . 0 0 "[ . 1 . 2 . ]" 1
114 1 20 LYS H 1 20 LYS QD 5.000 . 5.000 3.764 2.209 4.891 . 0 0 "[ . 1 . 2 . ]" 1
115 1 20 LYS H 1 20 LYS QE 5.000 . 5.000 4.453 2.746 5.010 0.010 24 0 "[ . 1 . 2 . ]" 1
116 1 20 LYS H 1 20 LYS QG 5.000 . 5.000 3.509 2.535 4.324 . 0 0 "[ . 1 . 2 . ]" 1
117 1 20 LYS H 1 21 CYS H 5.000 . 5.000 2.854 2.712 3.111 . 0 0 "[ . 1 . 2 . ]" 1
118 1 20 LYS QB 1 21 CYS H 5.000 . 5.000 3.816 3.662 3.974 . 0 0 "[ . 1 . 2 . ]" 1
119 1 20 LYS QB 1 51 TYR QD 3.500 . 3.500 3.107 2.201 3.674 0.174 16 0 "[ . 1 . 2 . ]" 1
120 1 20 LYS QB 1 51 TYR QE 3.500 . 3.500 3.252 1.807 3.735 0.235 23 0 "[ . 1 . 2 . ]" 1
121 1 21 CYS H 1 22 LYS H 5.000 . 5.000 4.033 2.132 4.428 . 0 0 "[ . 1 . 2 . ]" 1
122 1 21 CYS HA 1 22 LYS H 5.000 . 5.000 2.543 2.269 3.657 . 0 0 "[ . 1 . 2 . ]" 1
123 1 22 LYS H 1 23 GLU H 5.000 . 5.000 3.527 2.547 4.200 . 0 0 "[ . 1 . 2 . ]" 1
124 1 22 LYS HA 1 23 GLU H 5.000 . 5.000 2.595 2.328 2.854 . 0 0 "[ . 1 . 2 . ]" 1
125 1 23 GLU H 1 23 GLU QG 5.000 . 5.000 4.200 4.099 4.314 . 0 0 "[ . 1 . 2 . ]" 1
126 1 23 GLU H 1 24 LYS H 5.000 . 5.000 4.420 4.372 4.438 . 0 0 "[ . 1 . 2 . ]" 1
127 1 23 GLU HA 1 24 LYS H 5.000 . 5.000 2.722 2.681 2.800 . 0 0 "[ . 1 . 2 . ]" 1
128 1 23 GLU HA 1 52 HIS HE1 5.000 . 5.000 4.497 4.382 4.674 . 0 0 "[ . 1 . 2 . ]" 1
129 1 23 GLU QB 1 24 LYS H 5.000 . 5.000 2.713 2.601 2.861 . 0 0 "[ . 1 . 2 . ]" 1
130 1 23 GLU QB 1 52 HIS HE1 2.900 . 2.900 1.914 1.868 1.971 . 0 0 "[ . 1 . 2 . ]" 1
131 1 23 GLU QG 1 52 HIS HE1 2.900 . 2.900 2.927 2.620 2.998 0.098 11 0 "[ . 1 . 2 . ]" 1
132 1 24 LYS H 1 24 LYS QD 5.000 . 5.000 4.122 2.400 4.981 . 0 0 "[ . 1 . 2 . ]" 1
133 1 24 LYS H 1 24 LYS QE 5.000 . 5.000 4.423 3.082 5.003 0.003 13 0 "[ . 1 . 2 . ]" 1
134 1 24 LYS H 1 24 LYS QG 5.000 . 5.000 3.138 2.096 4.120 . 0 0 "[ . 1 . 2 . ]" 1
135 1 24 LYS H 1 25 ILE H 5.000 . 5.000 4.493 4.453 4.528 . 0 0 "[ . 1 . 2 . ]" 1
136 1 24 LYS H 1 52 HIS HE1 2.900 . 2.900 3.031 2.991 3.083 0.183 15 0 "[ . 1 . 2 . ]" 1
137 1 24 LYS HA 1 25 ILE H 2.300 . 2.300 2.368 2.334 2.407 0.107 9 0 "[ . 1 . 2 . ]" 1
138 1 24 LYS QB 1 25 ILE H 5.000 . 5.000 2.911 2.648 3.515 . 0 0 "[ . 1 . 2 . ]" 1
139 1 25 ILE H 1 26 VAL H 5.000 . 5.000 4.370 4.118 4.589 . 0 0 "[ . 1 . 2 . ]" 1
140 1 25 ILE HA 1 26 VAL H 2.300 . 2.300 2.266 2.237 2.311 0.011 24 0 "[ . 1 . 2 . ]" 1
141 1 25 ILE HA 1 52 HIS HD2 5.000 . 5.000 4.188 3.824 4.624 . 0 0 "[ . 1 . 2 . ]" 1
142 1 25 ILE HA 1 52 HIS HE1 5.000 . 5.000 4.041 3.590 4.354 . 0 0 "[ . 1 . 2 . ]" 1
143 1 25 ILE HB 1 26 VAL H 5.000 . 5.000 4.369 4.109 4.502 . 0 0 "[ . 1 . 2 . ]" 1
144 1 25 ILE MD 1 50 TRP QB 5.000 . 5.000 2.147 1.774 2.599 . 0 0 "[ . 1 . 2 . ]" 1
145 1 25 ILE MD 1 50 TRP HD1 5.000 . 5.000 4.084 3.383 4.918 . 0 0 "[ . 1 . 2 . ]" 1
146 1 25 ILE MD 1 50 TRP HE3 5.000 . 5.000 4.663 4.113 5.014 0.014 7 0 "[ . 1 . 2 . ]" 1
147 1 25 ILE MD 1 51 TYR H 5.000 . 5.000 3.833 3.253 4.322 . 0 0 "[ . 1 . 2 . ]" 1
148 1 25 ILE MD 1 51 TYR HA 3.500 . 3.500 3.320 2.302 3.545 0.045 19 0 "[ . 1 . 2 . ]" 1
149 1 25 ILE QG 1 52 HIS HD2 5.000 . 5.000 3.408 2.674 4.043 . 0 0 "[ . 1 . 2 . ]" 1
150 1 25 ILE QG 1 52 HIS HE1 5.000 . 5.000 3.046 2.563 3.431 . 0 0 "[ . 1 . 2 . ]" 1
151 1 25 ILE MG 1 26 VAL H 5.000 . 5.000 2.960 2.280 3.363 . 0 0 "[ . 1 . 2 . ]" 1
152 1 25 ILE MG 1 52 HIS HD2 5.000 . 5.000 3.751 2.995 4.390 . 0 0 "[ . 1 . 2 . ]" 1
153 1 25 ILE MG 1 52 HIS HE1 5.000 . 5.000 5.018 4.677 5.109 0.109 4 0 "[ . 1 . 2 . ]" 1
154 1 26 VAL H 1 27 LYS H 5.000 . 5.000 4.407 3.438 4.687 . 0 0 "[ . 1 . 2 . ]" 1
155 1 26 VAL HA 1 27 LYS H 2.300 . 2.300 2.393 2.254 2.526 0.226 27 0 "[ . 1 . 2 . ]" 1
156 1 26 VAL HB 1 27 LYS H 5.000 . 5.000 3.664 2.338 4.655 . 0 0 "[ . 1 . 2 . ]" 1
157 1 27 LYS H 1 27 LYS QD 5.000 . 5.000 4.175 2.771 4.959 . 0 0 "[ . 1 . 2 . ]" 1
158 1 27 LYS H 1 27 LYS QG 5.000 . 5.000 3.266 2.120 4.306 . 0 0 "[ . 1 . 2 . ]" 1
159 1 27 LYS H 1 28 GLY H 5.000 . 5.000 4.524 3.714 4.749 . 0 0 "[ . 1 . 2 . ]" 1
160 1 27 LYS HA 1 28 GLY H 2.300 . 2.300 2.270 2.236 2.327 0.027 7 0 "[ . 1 . 2 . ]" 1
161 1 27 LYS QB 1 28 GLY H 5.000 . 5.000 3.590 3.148 4.048 . 0 0 "[ . 1 . 2 . ]" 1
162 1 28 GLY H 1 29 VAL H 5.000 . 5.000 2.460 2.318 2.835 . 0 0 "[ . 1 . 2 . ]" 1
163 1 28 GLY QA 1 29 VAL H 5.000 . 5.000 2.990 2.913 3.013 . 0 0 "[ . 1 . 2 . ]" 1
164 1 29 VAL HA 1 30 CYS H 2.300 . 2.300 2.268 2.249 2.281 . 0 0 "[ . 1 . 2 . ]" 1
165 1 29 VAL HB 1 30 CYS H 5.000 . 5.000 4.197 3.237 4.415 . 0 0 "[ . 1 . 2 . ]" 1
166 1 29 VAL MG2 1 30 CYS H 5.000 . 5.000 3.243 2.429 4.090 . 0 0 "[ . 1 . 2 . ]" 1
167 1 29 VAL MG2 1 52 HIS HD2 3.500 . 3.500 2.501 1.833 3.550 0.050 5 0 "[ . 1 . 2 . ]" 1
168 1 29 VAL MG2 1 52 HIS HE1 5.000 . 5.000 5.037 4.776 5.123 0.123 6 0 "[ . 1 . 2 . ]" 1
169 1 30 CYS H 1 53 ILE MD 5.000 . 5.000 4.092 2.668 5.022 0.022 11 0 "[ . 1 . 2 . ]" 1
170 1 30 CYS HA 1 31 ARG H 2.300 . 2.300 2.285 2.247 2.324 0.024 16 0 "[ . 1 . 2 . ]" 1
171 1 30 CYS HA 1 53 ILE MD 5.000 . 5.000 4.648 4.083 5.047 0.047 12 0 "[ . 1 . 2 . ]" 1
172 1 30 CYS QB 1 31 ARG H 5.000 . 5.000 3.628 3.059 3.907 . 0 0 "[ . 1 . 2 . ]" 1
173 1 30 CYS QB 1 53 ILE MD 3.500 . 3.500 2.468 1.790 3.508 0.008 10 0 "[ . 1 . 2 . ]" 1
174 1 31 ARG H 1 31 ARG QD 5.000 . 5.000 3.678 2.178 4.620 . 0 0 "[ . 1 . 2 . ]" 1
175 1 31 ARG H 1 31 ARG QG 5.000 . 5.000 2.287 2.082 2.837 . 0 0 "[ . 1 . 2 . ]" 1
176 1 31 ARG HA 1 32 ILE H 2.300 . 2.300 2.317 2.241 2.380 0.080 21 0 "[ . 1 . 2 . ]" 1
177 1 32 ILE HA 1 33 GLY H 2.300 . 2.300 2.270 2.242 2.316 0.016 16 0 "[ . 1 . 2 . ]" 1
178 1 32 ILE HB 1 33 GLY H 5.000 . 5.000 4.088 3.915 4.264 . 0 0 "[ . 1 . 2 . ]" 1
179 1 32 ILE HB 1 51 TYR QD 3.500 . 3.500 3.192 2.973 3.544 0.044 12 0 "[ . 1 . 2 . ]" 1
180 1 32 ILE HB 1 51 TYR QE 5.000 . 5.000 3.801 1.986 5.123 0.123 16 0 "[ . 1 . 2 . ]" 1
181 1 32 ILE MD 1 56 MET H 5.000 . 5.000 4.716 3.996 5.034 0.034 12 0 "[ . 1 . 2 . ]" 1
182 1 32 ILE MD 1 57 PHE QD 5.000 . 5.000 3.609 3.021 3.942 . 0 0 "[ . 1 . 2 . ]" 1
183 1 32 ILE MD 1 57 PHE QE 2.900 . 2.900 2.870 2.557 2.953 0.053 7 0 "[ . 1 . 2 . ]" 1
184 1 32 ILE MD 1 70 ILE MD 3.500 . 3.500 2.376 1.778 3.227 . 0 0 "[ . 1 . 2 . ]" 1
185 1 32 ILE MG 1 33 GLY H 5.000 . 5.000 2.615 2.186 3.091 . 0 0 "[ . 1 . 2 . ]" 1
186 1 32 ILE MG 1 70 ILE MD 2.900 . 2.900 2.495 1.889 2.923 0.023 27 0 "[ . 1 . 2 . ]" 1
187 1 33 GLY H 1 50 TRP HE3 3.500 . 3.500 3.554 3.517 3.590 0.090 11 0 "[ . 1 . 2 . ]" 1
188 1 33 GLY H 1 50 TRP HZ3 3.500 . 3.500 2.440 2.174 2.889 . 0 0 "[ . 1 . 2 . ]" 1
189 1 33 GLY QA 1 34 LYS H 2.300 . 2.300 2.225 2.189 2.324 0.024 17 0 "[ . 1 . 2 . ]" 1
190 1 33 GLY QA 1 50 TRP HA 5.000 . 5.000 2.959 2.556 3.183 . 0 0 "[ . 1 . 2 . ]" 1
191 1 33 GLY QA 1 50 TRP HE3 5.000 . 5.000 2.825 2.543 3.137 . 0 0 "[ . 1 . 2 . ]" 1
192 1 33 GLY QA 1 50 TRP HH2 5.000 . 5.000 3.650 3.176 4.468 . 0 0 "[ . 1 . 2 . ]" 1
193 1 34 LYS H 1 34 LYS QG 5.000 . 5.000 3.724 2.068 4.026 . 0 0 "[ . 1 . 2 . ]" 1
194 1 34 LYS H 1 48 LYS HA 3.500 . 3.500 3.537 3.505 3.585 0.085 24 0 "[ . 1 . 2 . ]" 1
195 1 34 LYS H 1 49 GLU H 5.000 . 5.000 2.434 2.335 2.875 . 0 0 "[ . 1 . 2 . ]" 1
196 1 34 LYS HA 1 35 VAL H 2.300 . 2.300 2.272 2.247 2.325 0.025 20 0 "[ . 1 . 2 . ]" 1
197 1 34 LYS HA 1 51 TYR QE 5.000 . 5.000 5.031 4.657 5.180 0.180 26 0 "[ . 1 . 2 . ]" 1
198 1 34 LYS QB 1 35 VAL H 5.000 . 5.000 3.837 3.039 4.023 . 0 0 "[ . 1 . 2 . ]" 1
199 1 34 LYS QB 1 51 TYR QE 3.500 . 3.500 2.855 2.206 3.572 0.072 20 0 "[ . 1 . 2 . ]" 1
200 1 35 VAL H 1 36 VAL H 5.000 . 5.000 4.364 4.251 4.537 . 0 0 "[ . 1 . 2 . ]" 1
201 1 35 VAL HA 1 36 VAL H 2.300 . 2.300 2.261 2.238 2.277 . 0 0 "[ . 1 . 2 . ]" 1
202 1 35 VAL HA 1 48 LYS HA 2.900 . 2.900 2.922 2.703 2.986 0.086 11 0 "[ . 1 . 2 . ]" 1
203 1 35 VAL HA 1 49 GLU H 5.000 . 5.000 4.833 4.565 5.061 0.061 23 0 "[ . 1 . 2 . ]" 1
204 1 35 VAL MG2 1 49 GLU H 5.000 . 5.000 4.750 4.392 5.022 0.022 28 0 "[ . 1 . 2 . ]" 1
205 1 36 VAL H 1 46 ASP HA 5.000 . 5.000 4.319 3.920 4.787 . 0 0 "[ . 1 . 2 . ]" 1
206 1 36 VAL H 1 47 MET H 5.000 . 5.000 2.842 2.344 3.294 . 0 0 "[ . 1 . 2 . ]" 1
207 1 37 PRO HA 1 38 ASN H 2.300 . 2.300 2.296 2.257 2.349 0.049 8 0 "[ . 1 . 2 . ]" 1
208 1 37 PRO HA 1 46 ASP HA 2.300 . 2.300 2.303 2.201 2.348 0.048 4 0 "[ . 1 . 2 . ]" 1
209 1 38 ASN QB 1 41 SER QB 5.000 . 5.000 4.423 2.247 5.006 0.006 26 0 "[ . 1 . 2 . ]" 1
210 1 40 PHE H 1 41 SER H 5.000 . 5.000 2.918 2.331 4.601 . 0 0 "[ . 1 . 2 . ]" 1
211 1 40 PHE HA 1 41 SER H 5.000 . 5.000 3.254 2.270 3.637 . 0 0 "[ . 1 . 2 . ]" 1
212 1 40 PHE QB 1 41 SER H 5.000 . 5.000 2.652 2.102 4.022 . 0 0 "[ . 1 . 2 . ]" 1
213 1 40 PHE QE 1 41 SER H 5.000 . 5.000 4.965 3.877 5.025 0.025 2 0 "[ . 1 . 2 . ]" 1
214 1 43 SER HA 1 44 GLY H 5.000 . 5.000 3.600 3.595 3.613 . 0 0 "[ . 1 . 2 . ]" 1
215 1 43 SER QB 1 44 GLY H 5.000 . 5.000 2.703 2.451 3.391 . 0 0 "[ . 1 . 2 . ]" 1
216 1 44 GLY H 1 45 GLY H 5.000 . 5.000 3.892 2.717 4.645 . 0 0 "[ . 1 . 2 . ]" 1
217 1 45 GLY H 1 46 ASP H 5.000 . 5.000 3.079 2.341 4.442 . 0 0 "[ . 1 . 2 . ]" 1
218 1 46 ASP H 1 47 MET H 5.000 . 5.000 4.484 4.280 4.596 . 0 0 "[ . 1 . 2 . ]" 1
219 1 46 ASP HA 1 47 MET H 2.300 . 2.300 2.311 2.258 2.391 0.091 15 0 "[ . 1 . 2 . ]" 1
220 1 46 ASP QB 1 47 MET H 5.000 . 5.000 3.104 2.731 3.630 . 0 0 "[ . 1 . 2 . ]" 1
221 1 47 MET H 1 48 LYS H 5.000 . 5.000 4.524 4.374 4.620 . 0 0 "[ . 1 . 2 . ]" 1
222 1 47 MET HA 1 48 LYS H 2.300 . 2.300 2.299 2.249 2.358 0.058 1 0 "[ . 1 . 2 . ]" 1
223 1 48 LYS H 1 48 LYS QG 5.000 . 5.000 3.361 2.089 4.101 . 0 0 "[ . 1 . 2 . ]" 1
224 1 48 LYS HA 1 49 GLU H 2.300 . 2.300 2.279 2.248 2.330 0.030 6 0 "[ . 1 . 2 . ]" 1
225 1 48 LYS QB 1 49 GLU H 5.000 . 5.000 3.575 2.938 3.931 . 0 0 "[ . 1 . 2 . ]" 1
226 1 48 LYS QD 1 50 TRP HH2 3.500 . 3.500 3.136 2.246 3.513 0.013 1 0 "[ . 1 . 2 . ]" 1
227 1 48 LYS QD 1 50 TRP HZ2 2.900 . 2.900 2.792 2.365 2.917 0.017 6 0 "[ . 1 . 2 . ]" 1
228 1 49 GLU H 1 49 GLU QG 5.000 . 5.000 3.274 2.669 3.976 . 0 0 "[ . 1 . 2 . ]" 1
229 1 49 GLU H 1 50 TRP H 5.000 . 5.000 4.519 4.426 4.596 . 0 0 "[ . 1 . 2 . ]" 1
230 1 49 GLU H 1 51 TYR QD 5.000 . 5.000 4.958 4.741 5.075 0.075 28 0 "[ . 1 . 2 . ]" 1
231 1 49 GLU H 1 51 TYR QE 3.500 . 3.500 3.526 3.388 3.609 0.109 28 0 "[ . 1 . 2 . ]" 1
232 1 49 GLU HA 1 50 TRP H 5.000 . 5.000 2.349 2.261 2.490 . 0 0 "[ . 1 . 2 . ]" 1
233 1 49 GLU QB 1 50 TRP H 5.000 . 5.000 3.026 2.618 3.489 . 0 0 "[ . 1 . 2 . ]" 1
234 1 50 TRP H 1 51 TYR H 5.000 . 5.000 4.531 4.354 4.661 . 0 0 "[ . 1 . 2 . ]" 1
235 1 50 TRP HA 1 51 TYR H 5.000 . 5.000 2.303 2.237 2.458 . 0 0 "[ . 1 . 2 . ]" 1
236 1 50 TRP HA 1 51 TYR QD 5.000 . 5.000 3.666 2.811 4.444 . 0 0 "[ . 1 . 2 . ]" 1
237 1 50 TRP HA 1 51 TYR QE 5.000 . 5.000 4.631 4.285 4.963 . 0 0 "[ . 1 . 2 . ]" 1
238 1 50 TRP QB 1 51 TYR H 5.000 . 5.000 3.236 2.592 3.578 . 0 0 "[ . 1 . 2 . ]" 1
239 1 50 TRP HE3 1 51 TYR H 5.000 . 5.000 3.338 2.896 4.004 . 0 0 "[ . 1 . 2 . ]" 1
240 1 51 TYR H 1 52 HIS H 5.000 . 5.000 4.498 4.460 4.549 . 0 0 "[ . 1 . 2 . ]" 1
241 1 51 TYR HA 1 52 HIS H 5.000 . 5.000 2.529 2.432 2.562 . 0 0 "[ . 1 . 2 . ]" 1
242 1 51 TYR QB 1 52 HIS H 5.000 . 5.000 2.331 2.233 2.550 . 0 0 "[ . 1 . 2 . ]" 1
243 1 51 TYR QD 1 52 HIS H 5.000 . 5.000 3.773 3.448 4.210 . 0 0 "[ . 1 . 2 . ]" 1
244 1 51 TYR QD 1 52 HIS QB 5.000 . 5.000 5.074 4.744 5.194 0.194 22 0 "[ . 1 . 2 . ]" 1
245 1 51 TYR QD 1 56 MET HA 5.000 . 5.000 4.031 3.696 4.855 . 0 0 "[ . 1 . 2 . ]" 1
246 1 51 TYR QE 1 56 MET HA 5.000 . 5.000 5.022 4.479 5.110 0.110 16 0 "[ . 1 . 2 . ]" 1
247 1 52 HIS H 1 53 ILE H 5.000 . 5.000 4.567 4.505 4.720 . 0 0 "[ . 1 . 2 . ]" 1
248 1 52 HIS QB 1 53 ILE H 5.000 . 5.000 2.215 2.111 2.725 . 0 0 "[ . 1 . 2 . ]" 1
249 1 52 HIS HD2 1 53 ILE H 5.000 . 5.000 3.783 3.178 4.617 . 0 0 "[ . 1 . 2 . ]" 1
250 1 53 ILE H 1 54 LYS H 5.000 . 5.000 2.503 2.390 2.779 . 0 0 "[ . 1 . 2 . ]" 1
251 1 53 ILE MD 1 54 LYS H 5.000 . 5.000 4.561 4.404 4.680 . 0 0 "[ . 1 . 2 . ]" 1
252 1 53 ILE MD 1 57 PHE QD 5.000 . 5.000 3.909 3.599 4.389 . 0 0 "[ . 1 . 2 . ]" 1
253 1 53 ILE MD 1 57 PHE QE 3.500 . 3.500 3.502 3.306 3.623 0.123 19 0 "[ . 1 . 2 . ]" 1
254 1 53 ILE MD 1 93 HIS HD2 5.000 . 5.000 4.691 3.241 5.142 0.142 7 0 "[ . 1 . 2 . ]" 1
255 1 53 ILE MD 1 93 HIS HE1 5.000 . 5.000 5.095 4.995 5.181 0.181 20 0 "[ . 1 . 2 . ]" 1
256 1 53 ILE MG 1 57 PHE QD 2.900 . 2.900 2.502 1.821 2.954 0.054 8 0 "[ . 1 . 2 . ]" 1
257 1 53 ILE MG 1 57 PHE QE 3.500 . 3.500 2.933 1.930 3.601 0.101 25 0 "[ . 1 . 2 . ]" 1
258 1 53 ILE MG 1 93 HIS HD2 2.900 . 2.900 2.893 2.683 2.967 0.067 15 0 "[ . 1 . 2 . ]" 1
259 1 53 ILE MG 1 93 HIS HE1 5.000 . 5.000 2.715 2.539 3.012 . 0 0 "[ . 1 . 2 . ]" 1
260 1 54 LYS H 1 55 CYS H 2.900 . 2.900 2.587 2.346 2.831 . 0 0 "[ . 1 . 2 . ]" 1
261 1 54 LYS H 1 93 HIS HE1 3.500 . 3.500 3.166 2.357 3.550 0.050 7 0 "[ . 1 . 2 . ]" 1
262 1 54 LYS HA 1 55 CYS H 3.500 . 3.500 3.567 3.532 3.588 0.088 22 0 "[ . 1 . 2 . ]" 1
263 1 54 LYS HA 1 57 PHE H 3.500 . 3.500 3.551 3.365 3.604 0.104 4 0 "[ . 1 . 2 . ]" 1
264 1 54 LYS HA 1 93 HIS HE1 2.900 . 2.900 2.143 1.975 2.609 . 0 0 "[ . 1 . 2 . ]" 1
265 1 55 CYS H 1 56 MET H 2.900 . 2.900 2.744 2.535 2.879 . 0 0 "[ . 1 . 2 . ]" 1
266 1 55 CYS HA 1 56 MET H 3.500 . 3.500 3.591 3.558 3.603 0.103 7 0 "[ . 1 . 2 . ]" 1
267 1 55 CYS HA 1 58 GLU H 3.500 . 3.500 3.612 3.563 3.679 0.179 19 0 "[ . 1 . 2 . ]" 1
268 1 55 CYS HA 1 58 GLU QB 2.900 . 2.900 2.697 2.541 2.839 . 0 0 "[ . 1 . 2 . ]" 1
269 1 56 MET H 1 57 PHE H 2.900 . 2.900 2.643 2.469 2.721 . 0 0 "[ . 1 . 2 . ]" 1
270 1 56 MET HA 1 57 PHE H 3.500 . 3.500 3.588 3.580 3.605 0.105 16 0 "[ . 1 . 2 . ]" 1
271 1 56 MET HA 1 59 LYS H 3.500 . 3.500 3.581 3.499 3.634 0.134 14 0 "[ . 1 . 2 . ]" 1
272 1 57 PHE H 1 58 GLU H 2.900 . 2.900 2.622 2.469 2.757 . 0 0 "[ . 1 . 2 . ]" 1
273 1 57 PHE H 1 93 HIS HE1 5.000 . 5.000 4.959 4.708 5.041 0.041 20 0 "[ . 1 . 2 . ]" 1
274 1 57 PHE HA 1 58 GLU H 3.500 . 3.500 3.571 3.559 3.580 0.080 28 0 "[ . 1 . 2 . ]" 1
275 1 57 PHE HA 1 60 LEU H 3.500 . 3.500 3.369 3.137 3.558 0.058 27 0 "[ . 1 . 2 . ]" 1
276 1 57 PHE HA 1 60 LEU QB 2.900 . 2.900 2.662 2.067 2.923 0.023 23 0 "[ . 1 . 2 . ]" 1
277 1 57 PHE HA 1 60 LEU MD2 3.500 . 3.500 3.141 2.672 3.526 0.026 3 0 "[ . 1 . 2 . ]" 1
278 1 57 PHE HA 1 97 LEU MD2 5.000 . 5.000 3.579 2.847 4.236 . 0 0 "[ . 1 . 2 . ]" 1
279 1 57 PHE QD 1 60 LEU MD2 3.500 . 3.500 3.400 3.008 3.539 0.039 11 0 "[ . 1 . 2 . ]" 1
280 1 57 PHE QD 1 70 ILE MD 5.000 . 5.000 4.545 3.985 5.014 0.014 25 0 "[ . 1 . 2 . ]" 1
281 1 57 PHE QD 1 70 ILE MG 5.000 . 5.000 4.879 4.432 5.065 0.065 22 0 "[ . 1 . 2 . ]" 1
282 1 57 PHE QD 1 93 HIS QB 5.000 . 5.000 3.646 2.624 5.029 0.029 12 0 "[ . 1 . 2 . ]" 1
283 1 57 PHE QD 1 93 HIS HE1 5.000 . 5.000 4.284 3.756 4.738 . 0 0 "[ . 1 . 2 . ]" 1
284 1 57 PHE QD 1 94 ILE HA 5.000 . 5.000 3.919 3.299 5.011 0.011 18 0 "[ . 1 . 2 . ]" 1
285 1 57 PHE QD 1 94 ILE MD 5.000 . 5.000 5.066 5.004 5.113 0.113 21 0 "[ . 1 . 2 . ]" 1
286 1 57 PHE QD 1 97 LEU H 5.000 . 5.000 4.845 4.397 5.022 0.022 22 0 "[ . 1 . 2 . ]" 1
287 1 57 PHE QD 1 97 LEU QB 5.000 . 5.000 2.905 2.387 4.133 . 0 0 "[ . 1 . 2 . ]" 1
288 1 57 PHE QD 1 97 LEU MD2 2.900 . 2.900 2.096 1.830 2.824 . 0 0 "[ . 1 . 2 . ]" 1
289 1 57 PHE QE 1 60 LEU MD2 5.000 . 5.000 3.725 3.446 4.099 . 0 0 "[ . 1 . 2 . ]" 1
290 1 57 PHE QE 1 70 ILE MD 5.000 . 5.000 3.725 2.714 4.242 . 0 0 "[ . 1 . 2 . ]" 1
291 1 57 PHE QE 1 94 ILE H 5.000 . 5.000 4.110 3.545 4.889 . 0 0 "[ . 1 . 2 . ]" 1
292 1 57 PHE QE 1 94 ILE HA 3.500 . 3.500 2.652 2.142 3.365 . 0 0 "[ . 1 . 2 . ]" 1
293 1 57 PHE QE 1 94 ILE MD 3.500 . 3.500 3.414 3.315 3.554 0.054 27 0 "[ . 1 . 2 . ]" 1
294 1 57 PHE QE 1 94 ILE MG 5.000 . 5.000 3.495 2.552 4.788 . 0 0 "[ . 1 . 2 . ]" 1
295 1 57 PHE QE 1 97 LEU QB 5.000 . 5.000 3.526 2.686 4.339 . 0 0 "[ . 1 . 2 . ]" 1
296 1 57 PHE QE 1 97 LEU MD2 3.500 . 3.500 2.857 1.911 3.084 . 0 0 "[ . 1 . 2 . ]" 1
297 1 57 PHE HZ 1 70 ILE MD 5.000 . 5.000 4.085 3.571 4.703 . 0 0 "[ . 1 . 2 . ]" 1
298 1 57 PHE HZ 1 70 ILE MG 5.000 . 5.000 2.939 2.282 3.357 . 0 0 "[ . 1 . 2 . ]" 1
299 1 57 PHE HZ 1 94 ILE H 5.000 . 5.000 4.203 3.589 5.013 0.013 5 0 "[ . 1 . 2 . ]" 1
300 1 57 PHE HZ 1 94 ILE HA 5.000 . 5.000 4.112 3.275 4.566 . 0 0 "[ . 1 . 2 . ]" 1
301 1 57 PHE HZ 1 94 ILE MD 3.500 . 3.500 2.500 2.128 2.883 . 0 0 "[ . 1 . 2 . ]" 1
302 1 57 PHE HZ 1 94 ILE MG 5.000 . 5.000 4.361 3.707 4.969 . 0 0 "[ . 1 . 2 . ]" 1
303 1 57 PHE HZ 1 97 LEU MD2 5.000 . 5.000 4.920 3.933 5.030 0.030 6 0 "[ . 1 . 2 . ]" 1
304 1 58 GLU H 1 59 LYS H 2.900 . 2.900 2.667 2.481 2.797 . 0 0 "[ . 1 . 2 . ]" 1
305 1 58 GLU HA 1 59 LYS H 3.500 . 3.500 3.587 3.579 3.590 0.090 14 0 "[ . 1 . 2 . ]" 1
306 1 58 GLU HA 1 61 GLU H 3.500 . 3.500 3.459 3.287 3.583 0.083 11 0 "[ . 1 . 2 . ]" 1
307 1 58 GLU HA 1 61 GLU QB 2.900 . 2.900 2.840 2.499 2.964 0.064 12 0 "[ . 1 . 2 . ]" 1
308 1 59 LYS H 1 60 LEU H 2.900 . 2.900 2.704 2.502 2.800 . 0 0 "[ . 1 . 2 . ]" 1
309 1 59 LYS HA 1 60 LEU H 3.500 . 3.500 3.584 3.575 3.589 0.089 20 0 "[ . 1 . 2 . ]" 1
310 1 59 LYS HA 1 62 ARG H 3.500 . 3.500 3.363 3.205 3.516 0.016 23 0 "[ . 1 . 2 . ]" 1
311 1 59 LYS HA 1 62 ARG QB 2.900 . 2.900 2.934 2.771 2.962 0.062 15 0 "[ . 1 . 2 . ]" 1
312 1 60 LEU H 1 61 GLU H 2.900 . 2.900 2.758 2.560 2.840 . 0 0 "[ . 1 . 2 . ]" 1
313 1 60 LEU HA 1 63 ALA H 3.500 . 3.500 3.541 3.277 3.582 0.082 24 0 "[ . 1 . 2 . ]" 1
314 1 60 LEU HA 1 63 ALA MB 5.000 . 5.000 2.474 1.967 4.362 . 0 0 "[ . 1 . 2 . ]" 1
315 1 60 LEU MD2 1 70 ILE MD 5.000 . 5.000 3.488 2.889 4.462 . 0 0 "[ . 1 . 2 . ]" 1
316 1 60 LEU MD2 1 97 LEU MD2 5.000 . 5.000 2.452 1.714 3.087 . 0 0 "[ . 1 . 2 . ]" 1
317 1 61 GLU H 1 62 ARG H 2.900 . 2.900 2.733 2.572 2.794 . 0 0 "[ . 1 . 2 . ]" 1
318 1 61 GLU HA 1 62 ARG H 3.500 . 3.500 3.573 3.557 3.578 0.078 4 0 "[ . 1 . 2 . ]" 1
319 1 62 ARG H 1 63 ALA H 2.900 . 2.900 2.733 2.326 2.858 . 0 0 "[ . 1 . 2 . ]" 1
320 1 63 ALA H 1 64 ARG H 5.000 . 5.000 4.519 3.886 4.736 . 0 0 "[ . 1 . 2 . ]" 1
321 1 63 ALA HA 1 64 ARG H 2.900 . 2.900 2.456 2.259 2.530 . 0 0 "[ . 1 . 2 . ]" 1
322 1 63 ALA MB 1 64 ARG H 5.000 . 5.000 2.722 2.454 3.628 . 0 0 "[ . 1 . 2 . ]" 1
323 1 67 THR H 1 68 LYS H 5.000 . 5.000 4.470 4.190 4.596 . 0 0 "[ . 1 . 2 . ]" 1
324 1 67 THR HB 1 68 LYS H 5.000 . 5.000 3.772 2.680 4.406 . 0 0 "[ . 1 . 2 . ]" 1
325 1 68 LYS HA 1 69 LYS H 5.000 . 5.000 2.316 2.257 2.338 . 0 0 "[ . 1 . 2 . ]" 1
326 1 68 LYS QB 1 69 LYS H 5.000 . 5.000 3.441 2.963 3.998 . 0 0 "[ . 1 . 2 . ]" 1
327 1 69 LYS HA 1 70 ILE H 5.000 . 5.000 2.334 2.264 2.434 . 0 0 "[ . 1 . 2 . ]" 1
328 1 69 LYS QB 1 70 ILE H 5.000 . 5.000 3.159 2.651 4.045 . 0 0 "[ . 1 . 2 . ]" 1
329 1 70 ILE HA 1 71 GLU H 5.000 . 5.000 2.307 2.245 2.360 . 0 0 "[ . 1 . 2 . ]" 1
330 1 70 ILE MD 1 76 LEU MD1 3.500 . 3.500 3.386 2.792 3.563 0.063 24 0 "[ . 1 . 2 . ]" 1
331 1 70 ILE MD 1 94 ILE MD 5.000 . 5.000 5.016 4.838 5.069 0.069 28 0 "[ . 1 . 2 . ]" 1
332 1 70 ILE MG 1 76 LEU MD2 3.500 . 3.500 3.158 2.066 3.537 0.037 9 0 "[ . 1 . 2 . ]" 1
333 1 71 GLU H 1 72 ASP H 5.000 . 5.000 4.539 4.484 4.605 . 0 0 "[ . 1 . 2 . ]" 1
334 1 71 GLU HA 1 72 ASP H 5.000 . 5.000 2.299 2.267 2.387 . 0 0 "[ . 1 . 2 . ]" 1
335 1 71 GLU QB 1 72 ASP H 5.000 . 5.000 3.333 2.891 3.797 . 0 0 "[ . 1 . 2 . ]" 1
336 1 72 ASP H 1 73 LEU H 5.000 . 5.000 4.732 4.668 4.759 . 0 0 "[ . 1 . 2 . ]" 1
337 1 72 ASP H 1 94 ILE MD 5.000 . 5.000 4.091 3.603 4.427 . 0 0 "[ . 1 . 2 . ]" 1
338 1 72 ASP H 1 94 ILE MG 5.000 . 5.000 2.788 1.964 3.827 . 0 0 "[ . 1 . 2 . ]" 1
339 1 72 ASP HA 1 73 LEU H 5.000 . 5.000 2.782 2.606 2.877 . 0 0 "[ . 1 . 2 . ]" 1
340 1 72 ASP HA 1 73 LEU HA 5.000 . 5.000 4.515 4.455 4.606 . 0 0 "[ . 1 . 2 . ]" 1
341 1 72 ASP HA 1 73 LEU QB 5.000 . 5.000 4.046 3.795 4.197 . 0 0 "[ . 1 . 2 . ]" 1
342 1 72 ASP HA 1 94 ILE MD 3.500 . 3.500 3.509 3.441 3.546 0.046 20 0 "[ . 1 . 2 . ]" 1
343 1 72 ASP HA 1 94 ILE MG 3.500 . 3.500 2.806 1.981 3.454 . 0 0 "[ . 1 . 2 . ]" 1
344 1 72 ASP QB 1 73 LEU H 5.000 . 5.000 2.373 2.078 2.909 . 0 0 "[ . 1 . 2 . ]" 1
345 1 73 LEU H 1 74 THR H 5.000 . 5.000 3.178 2.313 4.595 . 0 0 "[ . 1 . 2 . ]" 1
346 1 73 LEU H 1 94 ILE MD 5.000 . 5.000 4.020 3.775 4.235 . 0 0 "[ . 1 . 2 . ]" 1
347 1 73 LEU H 1 94 ILE MG 5.000 . 5.000 4.825 4.092 5.028 0.028 12 0 "[ . 1 . 2 . ]" 1
348 1 73 LEU HA 1 94 ILE MD 3.500 . 3.500 3.088 2.612 3.511 0.011 18 0 "[ . 1 . 2 . ]" 1
349 1 73 LEU QB 1 74 THR MG 5.000 . 5.000 3.790 2.934 5.015 0.015 17 0 "[ . 1 . 2 . ]" 1
350 1 73 LEU QB 1 94 ILE MD 2.900 . 2.900 2.832 1.909 2.964 0.064 23 0 "[ . 1 . 2 . ]" 1
351 1 73 LEU MD1 1 74 THR MG 5.000 . 5.000 4.863 4.250 5.041 0.041 14 0 "[ . 1 . 2 . ]" 1
352 1 73 LEU MD1 1 94 ILE MD 3.500 . 3.500 2.529 1.708 3.579 0.079 17 0 "[ . 1 . 2 . ]" 1
353 1 73 LEU HG 1 74 THR MG 5.000 . 5.000 4.054 3.332 4.701 . 0 0 "[ . 1 . 2 . ]" 1
354 1 74 THR H 1 75 GLU H 5.000 . 5.000 2.989 2.309 4.406 . 0 0 "[ . 1 . 2 . ]" 1
355 1 74 THR HA 1 79 TRP HD1 3.500 . 3.500 3.430 2.954 3.593 0.093 10 0 "[ . 1 . 2 . ]" 1
356 1 74 THR HA 1 79 TRP HE1 3.500 . 3.500 2.819 2.237 3.444 . 0 0 "[ . 1 . 2 . ]" 1
357 1 74 THR MG 1 79 TRP HD1 5.000 . 5.000 4.485 3.601 5.001 0.001 18 0 "[ . 1 . 2 . ]" 1
358 1 74 THR MG 1 79 TRP HE1 5.000 . 5.000 3.382 2.092 4.116 . 0 0 "[ . 1 . 2 . ]" 1
359 1 74 THR MG 1 79 TRP HH2 3.500 . 3.500 3.516 3.167 3.587 0.087 27 0 "[ . 1 . 2 . ]" 1
360 1 74 THR MG 1 79 TRP HZ2 3.500 . 3.500 2.789 1.967 3.427 . 0 0 "[ . 1 . 2 . ]" 1
361 1 74 THR MG 1 79 TRP HZ3 5.000 . 5.000 4.233 3.472 4.790 . 0 0 "[ . 1 . 2 . ]" 1
362 1 75 GLU H 1 76 LEU H 5.000 . 5.000 2.629 2.312 2.971 . 0 0 "[ . 1 . 2 . ]" 1
363 1 75 GLU QB 1 76 LEU H 5.000 . 5.000 3.045 2.143 3.866 . 0 0 "[ . 1 . 2 . ]" 1
364 1 76 LEU H 1 77 GLU H 5.000 . 5.000 4.191 2.965 4.743 . 0 0 "[ . 1 . 2 . ]" 1
365 1 76 LEU HA 1 77 GLU H 5.000 . 5.000 2.440 2.351 2.687 . 0 0 "[ . 1 . 2 . ]" 1
366 1 76 LEU QB 1 77 GLU H 5.000 . 5.000 3.228 2.769 4.094 . 0 0 "[ . 1 . 2 . ]" 1
367 1 77 GLU H 1 78 GLY H 5.000 . 5.000 4.430 4.219 4.634 . 0 0 "[ . 1 . 2 . ]" 1
368 1 77 GLU HA 1 78 GLY H 5.000 . 5.000 2.288 2.252 2.332 . 0 0 "[ . 1 . 2 . ]" 1
369 1 77 GLU HA 1 79 TRP HD1 5.000 . 5.000 4.423 3.776 5.000 . 0 0 "[ . 1 . 2 . ]" 1
370 1 78 GLY H 1 79 TRP H 5.000 . 5.000 2.870 2.344 3.855 . 0 0 "[ . 1 . 2 . ]" 1
371 1 78 GLY H 1 79 TRP HD1 5.000 . 5.000 4.170 3.513 5.066 0.066 26 0 "[ . 1 . 2 . ]" 1
372 1 78 GLY QA 1 81 GLU H 5.000 . 5.000 3.637 3.173 4.248 . 0 0 "[ . 1 . 2 . ]" 1
373 1 79 TRP H 1 80 GLU H 2.900 . 2.900 2.724 2.354 2.932 0.032 4 0 "[ . 1 . 2 . ]" 1
374 1 79 TRP HA 1 80 GLU H 5.000 . 5.000 3.567 3.506 3.585 . 0 0 "[ . 1 . 2 . ]" 1
375 1 79 TRP HA 1 82 LEU H 3.500 . 3.500 3.298 2.925 3.631 0.131 3 0 "[ . 1 . 2 . ]" 1
376 1 79 TRP HA 1 82 LEU MD1 5.000 . 5.000 2.821 1.950 4.040 . 0 0 "[ . 1 . 2 . ]" 1
377 1 79 TRP HA 1 82 LEU HG 5.000 . 5.000 4.126 2.015 5.012 0.012 2 0 "[ . 1 . 2 . ]" 1
378 1 79 TRP QB 1 80 GLU H 5.000 . 5.000 3.564 3.463 3.770 . 0 0 "[ . 1 . 2 . ]" 1
379 1 79 TRP HH2 1 80 GLU HA 5.000 . 5.000 4.362 3.937 4.926 . 0 0 "[ . 1 . 2 . ]" 1
380 1 79 TRP HH2 1 80 GLU QB 5.000 . 5.000 4.289 3.266 5.023 0.023 27 0 "[ . 1 . 2 . ]" 1
381 1 79 TRP HH2 1 80 GLU QG 5.000 . 5.000 3.926 2.725 5.000 0.000 18 0 "[ . 1 . 2 . ]" 1
382 1 79 TRP HZ3 1 80 GLU HA 5.000 . 5.000 3.002 2.598 3.952 . 0 0 "[ . 1 . 2 . ]" 1
383 1 79 TRP HZ3 1 80 GLU QB 5.000 . 5.000 4.285 3.374 5.003 0.003 10 0 "[ . 1 . 2 . ]" 1
384 1 79 TRP HZ3 1 80 GLU QG 5.000 . 5.000 3.667 2.385 4.742 . 0 0 "[ . 1 . 2 . ]" 1
385 1 80 GLU H 1 81 GLU H 2.900 . 2.900 2.844 2.603 2.971 0.071 10 0 "[ . 1 . 2 . ]" 1
386 1 80 GLU HA 1 81 GLU H 5.000 . 5.000 3.585 3.554 3.604 . 0 0 "[ . 1 . 2 . ]" 1
387 1 80 GLU QB 1 81 GLU H 5.000 . 5.000 2.714 2.462 2.932 . 0 0 "[ . 1 . 2 . ]" 1
388 1 81 GLU H 1 82 LEU H 2.900 . 2.900 2.573 2.329 2.889 . 0 0 "[ . 1 . 2 . ]" 1
389 1 81 GLU HA 1 82 LEU H 5.000 . 5.000 3.448 2.776 3.599 . 0 0 "[ . 1 . 2 . ]" 1
390 1 81 GLU QB 1 82 LEU H 5.000 . 5.000 2.999 2.510 3.988 . 0 0 "[ . 1 . 2 . ]" 1
391 1 82 LEU H 1 83 GLU H 5.000 . 5.000 4.436 2.539 4.766 . 0 0 "[ . 1 . 2 . ]" 1
392 1 82 LEU HA 1 83 GLU H 5.000 . 5.000 2.769 2.480 3.625 . 0 0 "[ . 1 . 2 . ]" 1
393 1 82 LEU QB 1 83 GLU H 5.000 . 5.000 2.326 2.078 2.694 . 0 0 "[ . 1 . 2 . ]" 1
394 1 83 GLU H 1 84 ASP H 5.000 . 5.000 4.641 4.408 4.750 . 0 0 "[ . 1 . 2 . ]" 1
395 1 83 GLU HA 1 86 GLU QB 5.000 . 5.000 4.578 4.063 5.022 0.022 28 0 "[ . 1 . 2 . ]" 1
396 1 83 GLU QB 1 84 ASP H 5.000 . 5.000 2.901 2.608 3.766 . 0 0 "[ . 1 . 2 . ]" 1
397 1 84 ASP H 1 85 ASN H 2.900 . 2.900 2.658 2.388 2.910 0.010 8 0 "[ . 1 . 2 . ]" 1
398 1 84 ASP HA 1 85 ASN H 3.500 . 3.500 3.589 3.578 3.603 0.103 10 0 "[ . 1 . 2 . ]" 1
399 1 84 ASP HA 1 87 LYS H 3.500 . 3.500 3.491 3.297 3.560 0.060 18 0 "[ . 1 . 2 . ]" 1
400 1 84 ASP HA 1 87 LYS QB 2.900 . 2.900 2.557 2.270 2.950 0.050 22 0 "[ . 1 . 2 . ]" 1
401 1 85 ASN H 1 86 GLU H 2.900 . 2.900 2.771 2.615 2.875 . 0 0 "[ . 1 . 2 . ]" 1
402 1 85 ASN HA 1 86 GLU H 3.500 . 3.500 3.589 3.578 3.601 0.101 11 0 "[ . 1 . 2 . ]" 1
403 1 85 ASN HA 1 88 GLU H 3.500 . 3.500 3.522 3.396 3.571 0.071 16 0 "[ . 1 . 2 . ]" 1
404 1 85 ASN HA 1 88 GLU QB 2.900 . 2.900 2.894 2.620 2.957 0.057 18 0 "[ . 1 . 2 . ]" 1
405 1 86 GLU H 1 87 LYS H 2.900 . 2.900 2.695 2.550 2.802 . 0 0 "[ . 1 . 2 . ]" 1
406 1 86 GLU HA 1 87 LYS H 3.500 . 3.500 3.582 3.578 3.585 0.085 18 0 "[ . 1 . 2 . ]" 1
407 1 86 GLU HA 1 89 GLN H 3.500 . 3.500 3.430 3.233 3.526 0.026 16 0 "[ . 1 . 2 . ]" 1
408 1 86 GLU HA 1 89 GLN QB 2.900 . 2.900 2.893 2.482 2.947 0.047 23 0 "[ . 1 . 2 . ]" 1
409 1 87 LYS H 1 88 GLU H 2.900 . 2.900 2.770 2.624 2.832 . 0 0 "[ . 1 . 2 . ]" 1
410 1 87 LYS HA 1 88 GLU H 3.500 . 3.500 3.583 3.573 3.587 0.087 4 0 "[ . 1 . 2 . ]" 1
411 1 87 LYS HA 1 90 ILE H 3.500 . 3.500 3.451 3.259 3.573 0.073 7 0 "[ . 1 . 2 . ]" 1
412 1 88 GLU H 1 89 GLN H 2.900 . 2.900 2.771 2.641 2.843 . 0 0 "[ . 1 . 2 . ]" 1
413 1 88 GLU HA 1 91 THR H 3.500 . 3.500 3.465 3.302 3.562 0.062 5 0 "[ . 1 . 2 . ]" 1
414 1 88 GLU HA 1 91 THR HB 5.000 . 5.000 3.828 2.870 4.759 . 0 0 "[ . 1 . 2 . ]" 1
415 1 89 GLN H 1 90 ILE H 2.900 . 2.900 2.748 2.622 2.816 . 0 0 "[ . 1 . 2 . ]" 1
416 1 89 GLN HA 1 90 ILE H 3.500 . 3.500 3.580 3.570 3.604 0.104 9 0 "[ . 1 . 2 . ]" 1
417 1 89 GLN HA 1 92 GLN H 3.500 . 3.500 3.508 3.391 3.550 0.050 19 0 "[ . 1 . 2 . ]" 1
418 1 89 GLN HA 1 92 GLN QB 2.900 . 2.900 2.900 2.729 2.944 0.044 7 0 "[ . 1 . 2 . ]" 1
419 1 90 ILE H 1 91 THR H 2.900 . 2.900 2.708 2.632 2.787 . 0 0 "[ . 1 . 2 . ]" 1
420 1 90 ILE HA 1 93 HIS H 3.500 . 3.500 3.424 3.257 3.504 0.004 1 0 "[ . 1 . 2 . ]" 1
421 1 90 ILE HA 1 93 HIS QB 2.900 . 2.900 2.828 2.275 2.954 0.054 19 0 "[ . 1 . 2 . ]" 1
422 1 90 ILE HA 1 93 HIS HD2 5.000 . 5.000 3.734 2.579 5.033 0.033 12 0 "[ . 1 . 2 . ]" 1
423 1 91 THR H 1 92 GLN H 2.900 . 2.900 2.762 2.659 2.808 . 0 0 "[ . 1 . 2 . ]" 1
424 1 91 THR HA 1 92 GLN H 3.500 . 3.500 3.582 3.566 3.594 0.094 16 0 "[ . 1 . 2 . ]" 1
425 1 91 THR HA 1 94 ILE H 3.500 . 3.500 3.529 3.504 3.559 0.059 20 0 "[ . 1 . 2 . ]" 1
426 1 91 THR HB 1 94 ILE MD 5.000 . 5.000 4.825 4.265 5.032 0.032 24 0 "[ . 1 . 2 . ]" 1
427 1 91 THR MG 1 94 ILE MD 5.000 . 5.000 3.491 2.898 5.007 0.007 5 0 "[ . 1 . 2 . ]" 1
428 1 92 GLN H 1 93 HIS H 2.900 . 2.900 2.779 2.566 2.847 . 0 0 "[ . 1 . 2 . ]" 1
429 1 92 GLN HA 1 95 ALA H 3.500 . 3.500 3.405 3.256 3.528 0.028 28 0 "[ . 1 . 2 . ]" 1
430 1 92 GLN HA 1 95 ALA MB 2.900 . 2.900 2.344 2.165 2.510 . 0 0 "[ . 1 . 2 . ]" 1
431 1 93 HIS H 1 94 ILE H 2.900 . 2.900 2.882 2.788 2.928 0.028 20 0 "[ . 1 . 2 . ]" 1
432 1 93 HIS HA 1 96 ASP H 3.500 . 3.500 3.547 3.478 3.584 0.084 16 0 "[ . 1 . 2 . ]" 1
433 1 93 HIS HA 1 96 ASP QB 2.900 . 2.900 2.800 2.599 2.914 0.014 27 0 "[ . 1 . 2 . ]" 1
434 1 94 ILE H 1 95 ALA H 2.900 . 2.900 2.698 2.597 2.796 . 0 0 "[ . 1 . 2 . ]" 1
435 1 94 ILE HA 1 95 ALA H 3.500 . 3.500 3.582 3.576 3.585 0.085 18 0 "[ . 1 . 2 . ]" 1
436 1 94 ILE HA 1 97 LEU H 3.500 . 3.500 3.426 3.289 3.517 0.017 10 0 "[ . 1 . 2 . ]" 1
437 1 94 ILE HA 1 97 LEU QB 2.900 . 2.900 2.721 2.365 2.922 0.022 8 0 "[ . 1 . 2 . ]" 1
438 1 95 ALA H 1 96 ASP H 2.900 . 2.900 2.705 2.608 2.769 . 0 0 "[ . 1 . 2 . ]" 1
439 1 95 ALA HA 1 96 ASP H 3.500 . 3.500 3.586 3.580 3.589 0.089 9 0 "[ . 1 . 2 . ]" 1
440 1 95 ALA HA 1 98 SER H 3.500 . 3.500 3.428 3.258 3.551 0.051 4 0 "[ . 1 . 2 . ]" 1
441 1 95 ALA HA 1 98 SER QB 2.900 . 2.900 2.888 2.510 2.943 0.043 2 0 "[ . 1 . 2 . ]" 1
442 1 96 ASP H 1 97 LEU H 2.900 . 2.900 2.682 2.570 2.821 . 0 0 "[ . 1 . 2 . ]" 1
443 1 96 ASP HA 1 99 SER H 5.000 . 5.000 4.488 3.465 5.025 0.025 23 0 "[ . 1 . 2 . ]" 1
444 1 96 ASP HA 1 99 SER QB 5.000 . 5.000 3.505 2.717 4.999 . 0 0 "[ . 1 . 2 . ]" 1
445 1 97 LEU H 1 98 SER H 5.000 . 5.000 2.624 2.400 2.821 . 0 0 "[ . 1 . 2 . ]" 1
446 1 97 LEU HA 1 98 SER H 5.000 . 5.000 3.588 3.579 3.599 . 0 0 "[ . 1 . 2 . ]" 1
447 1 97 LEU QB 1 98 SER H 5.000 . 5.000 2.710 2.544 2.805 . 0 0 "[ . 1 . 2 . ]" 1
448 1 98 SER H 1 99 SER H 5.000 . 5.000 3.105 2.354 3.675 . 0 0 "[ . 1 . 2 . ]" 1
449 1 98 SER HA 1 99 SER H 5.000 . 5.000 3.036 2.571 3.628 . 0 0 "[ . 1 . 2 . ]" 1
450 1 98 SER QB 1 99 SER H 5.000 . 5.000 3.445 2.154 4.098 . 0 0 "[ . 1 . 2 . ]" 1
451 1 99 SER H 1 100 LYS H 5.000 . 5.000 4.029 2.619 4.744 . 0 0 "[ . 1 . 2 . ]" 1
452 1 99 SER HA 1 100 LYS H 5.000 . 5.000 2.507 2.254 2.932 . 0 0 "[ . 1 . 2 . ]" 1
453 1 99 SER QB 1 100 LYS H 5.000 . 5.000 3.515 2.159 4.099 . 0 0 "[ . 1 . 2 . ]" 1
454 1 100 LYS H 1 101 ALA H 5.000 . 5.000 3.461 2.341 4.551 . 0 0 "[ . 1 . 2 . ]" 1
455 1 101 ALA H 1 102 ALA H 5.000 . 5.000 3.644 2.347 4.565 . 0 0 "[ . 1 . 2 . ]" 1
456 1 102 ALA H 1 103 GLY H 5.000 . 5.000 3.685 2.381 4.581 . 0 0 "[ . 1 . 2 . ]" 1
457 1 102 ALA HA 1 103 GLY H 5.000 . 5.000 2.613 2.253 3.628 . 0 0 "[ . 1 . 2 . ]" 1
458 1 102 ALA MB 1 103 GLY H 5.000 . 5.000 3.232 2.141 3.761 . 0 0 "[ . 1 . 2 . ]" 1
459 1 103 GLY QA 1 104 THR H 5.000 . 5.000 2.362 2.197 2.723 . 0 0 "[ . 1 . 2 . ]" 1
460 1 109 ALA H 1 110 VAL H 5.000 . 5.000 4.405 4.110 4.579 . 0 0 "[ . 1 . 2 . ]" 1
461 1 110 VAL H 1 111 VAL H 5.000 . 5.000 4.375 3.985 4.505 . 0 0 "[ . 1 . 2 . ]" 1
462 1 111 VAL HA 1 112 GLN H 5.000 . 5.000 2.296 2.252 2.317 . 0 0 "[ . 1 . 2 . ]" 1
463 1 114 LYS HA 1 115 LEU H 5.000 . 5.000 2.298 2.252 2.370 . 0 0 "[ . 1 . 2 . ]" 1
464 1 116 THR HB 1 117 THR H 5.000 . 5.000 3.891 3.014 4.475 . 0 0 "[ . 1 . 2 . ]" 1
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