NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622296 |
5h3n   |
36027 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5h3n
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 809
_Distance_constraint_stats_list.Viol_count 1476
_Distance_constraint_stats_list.Viol_total 1868.208
_Distance_constraint_stats_list.Viol_max 0.364
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0633
_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 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 1.420 0.098 14 0 "[ . 1 . 2]"
1 5 PHE 1.325 0.098 14 0 "[ . 1 . 2]"
1 6 LEU 3.051 0.304 14 0 "[ . 1 . 2]"
1 7 LYS 3.053 0.127 20 0 "[ . 1 . 2]"
1 8 ALA 0.218 0.102 13 0 "[ . 1 . 2]"
1 9 GLY 0.361 0.056 14 0 "[ . 1 . 2]"
1 10 LYS 2.314 0.123 12 0 "[ . 1 . 2]"
1 11 GLU 1.424 0.118 11 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.924 0.071 8 0 "[ . 1 . 2]"
1 14 LEU 0.946 0.071 8 0 "[ . 1 . 2]"
1 15 GLN 0.240 0.047 4 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 0.179 0.032 8 0 "[ . 1 . 2]"
1 18 ARG 0.092 0.075 14 0 "[ . 1 . 2]"
1 19 VAL 0.089 0.042 10 0 "[ . 1 . 2]"
1 20 GLU 0.256 0.082 18 0 "[ . 1 . 2]"
1 21 LYS 0.172 0.050 19 0 "[ . 1 . 2]"
1 22 PHE 0.183 0.059 19 0 "[ . 1 . 2]"
1 23 ASP 2.207 0.160 5 0 "[ . 1 . 2]"
1 24 LEU 1.267 0.185 20 0 "[ . 1 . 2]"
1 25 VAL 0.617 0.185 20 0 "[ . 1 . 2]"
1 26 PRO 0.001 0.001 9 0 "[ . 1 . 2]"
1 27 VAL 0.112 0.075 14 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.602 0.054 9 0 "[ . 1 . 2]"
1 30 ASN 0.329 0.074 2 0 "[ . 1 . 2]"
1 31 LEU 3.392 0.129 13 0 "[ . 1 . 2]"
1 32 TYR 0.746 0.088 12 0 "[ . 1 . 2]"
1 33 GLY 0.021 0.021 12 0 "[ . 1 . 2]"
1 34 ASP 0.021 0.021 12 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.064 0.064 11 0 "[ . 1 . 2]"
1 37 THR 0.209 0.025 17 0 "[ . 1 . 2]"
1 38 GLY 0.081 0.019 14 0 "[ . 1 . 2]"
1 39 ASP 0.924 0.061 13 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.101 0.064 11 0 "[ . 1 . 2]"
1 42 VAL 2.945 0.222 11 0 "[ . 1 . 2]"
1 43 ILE 0.238 0.084 6 0 "[ . 1 . 2]"
1 44 LEU 0.123 0.102 13 0 "[ . 1 . 2]"
1 45 LYS 0.467 0.044 10 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 8.131 0.203 2 0 "[ . 1 . 2]"
1 48 GLN 3.424 0.203 2 0 "[ . 1 . 2]"
1 49 LEU 0.423 0.126 18 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.340 0.044 17 0 "[ . 1 . 2]"
1 52 GLY 0.367 0.044 17 0 "[ . 1 . 2]"
1 53 ASN 6.144 0.293 2 0 "[ . 1 . 2]"
1 54 LEU 8.429 0.293 2 0 "[ . 1 . 2]"
1 55 GLN 6.053 0.206 9 0 "[ . 1 . 2]"
1 56 TYR 0.105 0.037 8 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 1.309 0.215 13 0 "[ . 1 . 2]"
1 59 HIS 0.094 0.032 11 0 "[ . 1 . 2]"
1 60 TYR 0.203 0.040 8 0 "[ . 1 . 2]"
1 61 TRP 0.132 0.089 19 0 "[ . 1 . 2]"
1 62 LEU 0.118 0.118 8 0 "[ . 1 . 2]"
1 63 GLY 0.187 0.025 17 0 "[ . 1 . 2]"
1 64 ASN 1.315 0.066 9 0 "[ . 1 . 2]"
1 65 GLU 2.432 0.125 7 0 "[ . 1 . 2]"
1 66 CYS 9.497 0.364 2 0 "[ . 1 . 2]"
1 67 SER 7.014 0.364 2 0 "[ . 1 . 2]"
1 68 GLN 0.009 0.006 10 0 "[ . 1 . 2]"
1 69 ASP 2.273 0.105 9 0 "[ . 1 . 2]"
1 70 GLU 3.949 0.122 10 0 "[ . 1 . 2]"
1 71 SER 2.062 0.098 20 0 "[ . 1 . 2]"
1 72 GLY 0.413 0.051 18 0 "[ . 1 . 2]"
1 73 ALA 1.909 0.097 16 0 "[ . 1 . 2]"
1 74 ALA 1.677 0.097 16 0 "[ . 1 . 2]"
1 75 ALA 0.080 0.028 19 0 "[ . 1 . 2]"
1 76 ILE 0.112 0.018 9 0 "[ . 1 . 2]"
1 77 PHE 0.134 0.027 20 0 "[ . 1 . 2]"
1 78 THR 0.084 0.054 13 0 "[ . 1 . 2]"
1 79 VAL 1.640 0.123 12 0 "[ . 1 . 2]"
1 80 GLN 1.484 0.099 20 0 "[ . 1 . 2]"
1 81 LEU 0.889 0.215 13 0 "[ . 1 . 2]"
1 82 ASP 0.619 0.057 6 0 "[ . 1 . 2]"
1 83 ASP 1.473 0.069 6 0 "[ . 1 . 2]"
1 84 TYR 2.222 0.058 13 0 "[ . 1 . 2]"
1 85 LEU 4.940 0.132 2 0 "[ . 1 . 2]"
1 86 ASN 4.760 0.132 2 0 "[ . 1 . 2]"
1 87 GLY 2.288 0.110 8 0 "[ . 1 . 2]"
1 88 ARG 1.780 0.110 18 0 "[ . 1 . 2]"
1 89 ALA 0.621 0.067 13 0 "[ . 1 . 2]"
1 90 VAL 0.164 0.153 10 0 "[ . 1 . 2]"
1 91 GLN 0.394 0.153 10 0 "[ . 1 . 2]"
1 92 HIS 0.320 0.040 8 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 3.716 0.239 6 0 "[ . 1 . 2]"
1 96 GLN 1.235 0.239 6 0 "[ . 1 . 2]"
1 97 GLY 0.047 0.024 3 0 "[ . 1 . 2]"
1 98 PHE 0.229 0.060 14 0 "[ . 1 . 2]"
1 99 GLU 0.376 0.089 19 0 "[ . 1 . 2]"
1 100 SER 0.105 0.086 14 0 "[ . 1 . 2]"
1 101 ALA 0.343 0.049 16 0 "[ . 1 . 2]"
1 102 THR 1.557 0.102 17 0 "[ . 1 . 2]"
1 103 PHE 1.590 0.102 17 0 "[ . 1 . 2]"
1 104 LEU 0.373 0.050 11 0 "[ . 1 . 2]"
1 105 GLY 0.258 0.050 11 0 "[ . 1 . 2]"
1 106 TYR 1.888 0.097 18 0 "[ . 1 . 2]"
1 107 PHE 2.239 0.113 20 0 "[ . 1 . 2]"
1 109 SER 0.099 0.028 6 0 "[ . 1 . 2]"
1 110 GLY 0.135 0.028 6 0 "[ . 1 . 2]"
1 111 LEU 1.116 0.278 5 0 "[ . 1 . 2]"
1 112 LYS 1.489 0.114 18 0 "[ . 1 . 2]"
1 113 TYR 0.017 0.017 15 0 "[ . 1 . 2]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.087 0.087 6 0 "[ . 1 . 2]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 HIS 0.107 0.059 5 0 "[ . 1 . 2]"
1 125 VAL 0.270 0.106 7 0 "[ . 1 . 2]"
1 127 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ASN 0.273 0.098 17 0 "[ . 1 . 2]"
1 129 GLU 0.273 0.098 17 0 "[ . 1 . 2]"
1 130 VAL 0.834 0.117 3 0 "[ . 1 . 2]"
1 131 VAL 0.571 0.143 5 0 "[ . 1 . 2]"
1 132 VAL 0.986 0.122 12 0 "[ . 1 . 2]"
1 133 GLN 0.029 0.021 15 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 3 PRO HA 1 4 GLU H 5.000 . 5.000 2.453 2.289 2.781 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO HA 1 5 PHE H 5.000 . 5.000 3.668 3.260 3.955 . 0 0 "[ . 1 . 2]" 1
3 1 3 PRO HA 1 6 LEU H 5.000 . 5.000 4.025 3.461 4.688 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO QB 1 4 GLU H 5.000 . 6.000 3.916 3.788 4.018 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO QG 1 4 GLU H 5.000 . 6.000 4.824 4.600 4.966 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU HA 1 5 PHE H 3.500 . 3.500 3.565 3.472 3.598 0.098 14 0 "[ . 1 . 2]" 1
7 1 4 GLU HA 1 7 LYS H 3.500 . 3.500 3.197 2.854 3.508 0.008 14 0 "[ . 1 . 2]" 1
8 1 4 GLU QB 1 5 PHE H 3.500 . 4.500 2.656 2.411 3.054 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 4 GLU QG 3.500 . 4.500 2.841 1.707 4.057 0.093 10 0 "[ . 1 . 2]" 1
10 1 4 GLU QG 1 5 PHE H 5.000 . 6.000 4.083 3.381 4.602 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU H 1 5 PHE H 2.900 . 2.900 2.430 2.373 2.496 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLU H 1 6 LEU H 5.000 . 5.000 3.920 3.603 4.163 . 0 0 "[ . 1 . 2]" 1
13 1 5 PHE HA 1 6 LEU H 5.000 . 5.000 3.473 3.350 3.600 . 0 0 "[ . 1 . 2]" 1
14 1 5 PHE HA 1 7 LYS H 5.000 . 5.000 4.364 4.008 4.846 . 0 0 "[ . 1 . 2]" 1
15 1 5 PHE HA 1 8 ALA H 3.500 . 3.500 3.338 3.057 3.505 0.005 4 0 "[ . 1 . 2]" 1
16 1 5 PHE H 1 5 PHE QB 2.900 . 3.500 2.248 2.155 2.296 . 0 0 "[ . 1 . 2]" 1
17 1 5 PHE QB 1 6 LEU H 3.500 . 4.500 2.992 2.427 3.335 . 0 0 "[ . 1 . 2]" 1
18 1 5 PHE H 1 5 PHE QD 3.500 . 5.500 3.914 3.155 4.229 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE H 1 5 PHE QE 5.000 . 7.000 5.901 4.800 6.263 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE H 1 6 LEU H 2.900 . 2.900 2.713 2.566 2.869 . 0 0 "[ . 1 . 2]" 1
21 1 6 LEU H 1 6 LEU HA 2.900 . 2.900 2.959 2.886 2.999 0.099 15 0 "[ . 1 . 2]" 1
22 1 6 LEU HA 1 7 LYS H 3.500 . 3.500 3.555 3.516 3.594 0.094 4 0 "[ . 1 . 2]" 1
23 1 6 LEU HA 1 8 ALA H 5.000 . 5.000 3.968 3.746 4.276 . 0 0 "[ . 1 . 2]" 1
24 1 6 LEU H 1 6 LEU QB 2.900 . 3.500 2.576 2.279 2.878 . 0 0 "[ . 1 . 2]" 1
25 1 6 LEU QB 1 7 LYS H 3.500 . 4.500 2.654 2.289 2.928 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU H 1 6 LEU QD 3.500 . 5.200 2.513 1.496 3.135 0.304 14 0 "[ . 1 . 2]" 1
27 1 6 LEU H 1 6 LEU HG 2.900 . 2.900 2.254 1.745 2.957 0.057 14 0 "[ . 1 . 2]" 1
28 1 6 LEU HG 1 7 LYS H 5.000 . 5.000 4.072 3.345 4.818 . 0 0 "[ . 1 . 2]" 1
29 1 6 LEU H 1 8 ALA H 5.000 . 5.000 3.577 3.339 3.952 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS H 1 7 LYS HA 2.900 . 2.900 2.998 2.968 3.027 0.127 20 0 "[ . 1 . 2]" 1
31 1 7 LYS HA 1 8 ALA H 3.500 . 3.500 3.314 3.028 3.442 . 0 0 "[ . 1 . 2]" 1
32 1 7 LYS H 1 7 LYS QB 3.500 . 4.100 2.473 2.219 3.208 . 0 0 "[ . 1 . 2]" 1
33 1 7 LYS QB 1 8 ALA H 3.500 . 4.500 3.407 3.109 3.922 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS H 1 7 LYS QD 3.500 . 4.500 3.746 2.932 4.097 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 7 LYS QE 5.000 . 6.000 4.903 4.029 5.415 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS H 1 7 LYS QG 2.900 . 3.900 2.538 1.957 3.054 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS QG 1 8 ALA H 5.000 . 6.000 4.190 2.938 4.529 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS H 1 8 ALA H 2.900 . 2.900 2.335 2.048 2.497 . 0 0 "[ . 1 . 2]" 1
39 1 8 ALA HA 1 10 LYS H 5.000 . 5.000 4.172 3.174 4.922 . 0 0 "[ . 1 . 2]" 1
40 1 8 ALA HA 1 15 GLN HE22 3.500 . 3.500 3.007 2.179 3.488 . 0 0 "[ . 1 . 2]" 1
41 1 8 ALA HA 1 9 GLY H 2.900 . 2.900 2.456 2.199 2.835 . 0 0 "[ . 1 . 2]" 1
42 1 8 ALA H 1 8 ALA MB 2.900 . 4.000 2.197 2.086 2.282 . 0 0 "[ . 1 . 2]" 1
43 1 8 ALA MB 1 9 GLY H 3.500 . 5.000 2.490 1.744 3.148 0.056 14 0 "[ . 1 . 2]" 1
44 1 8 ALA H 1 9 GLY H 5.000 . 5.000 4.685 4.513 4.737 . 0 0 "[ . 1 . 2]" 1
45 1 9 GLY QA 1 10 LYS H 3.500 . 4.500 2.651 2.392 2.935 . 0 0 "[ . 1 . 2]" 1
46 1 9 GLY QA 1 11 GLU H 5.000 . 6.000 3.323 2.943 3.748 . 0 0 "[ . 1 . 2]" 1
47 1 9 GLY H 1 10 LYS H 2.900 . 2.900 2.307 1.768 2.762 0.032 12 0 "[ . 1 . 2]" 1
48 1 9 GLY H 1 11 GLU H 5.000 . 5.000 3.931 2.864 4.404 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLY H 1 15 GLN HE21 3.500 . 3.500 2.958 1.778 3.507 0.022 16 0 "[ . 1 . 2]" 1
50 1 9 GLY H 1 15 GLN HE22 5.000 . 5.000 2.073 1.753 3.012 0.047 4 0 "[ . 1 . 2]" 1
51 1 9 GLY H 1 17 TRP HH2 5.000 . 5.000 4.517 3.669 4.980 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLY H 1 44 LEU QD 3.500 . 5.900 3.400 2.406 4.279 . 0 0 "[ . 1 . 2]" 1
53 1 9 GLY H 1 56 TYR QE 5.000 . 7.000 4.782 3.934 5.255 . 0 0 "[ . 1 . 2]" 1
54 1 10 LYS H 1 10 LYS HA 2.900 . 2.900 2.994 2.926 3.023 0.123 12 0 "[ . 1 . 2]" 1
55 1 10 LYS HA 1 11 GLU H 3.500 . 3.500 3.129 2.878 3.330 . 0 0 "[ . 1 . 2]" 1
56 1 10 LYS H 1 10 LYS QB 2.900 . 3.500 3.000 2.494 3.245 . 0 0 "[ . 1 . 2]" 1
57 1 10 LYS QB 1 11 GLU H 3.500 . 4.500 3.912 3.364 4.079 . 0 0 "[ . 1 . 2]" 1
58 1 10 LYS H 1 10 LYS QD 3.500 . 4.500 3.492 1.687 4.108 0.113 18 0 "[ . 1 . 2]" 1
59 1 10 LYS QD 1 11 GLU H 5.000 . 6.000 4.888 3.808 5.395 . 0 0 "[ . 1 . 2]" 1
60 1 10 LYS H 1 10 LYS QG 2.900 . 3.900 2.248 1.715 3.425 0.085 2 0 "[ . 1 . 2]" 1
61 1 10 LYS QG 1 11 GLU H 5.000 . 6.000 3.467 2.784 4.607 . 0 0 "[ . 1 . 2]" 1
62 1 10 LYS H 1 11 GLU H 2.900 . 2.900 2.212 1.765 2.929 0.035 7 0 "[ . 1 . 2]" 1
63 1 10 LYS H 1 56 TYR QE 5.000 . 7.000 4.843 4.334 5.212 . 0 0 "[ . 1 . 2]" 1
64 1 11 GLU H 1 11 GLU HA 2.900 . 2.900 2.961 2.910 3.018 0.118 11 0 "[ . 1 . 2]" 1
65 1 11 GLU H 1 11 GLU QB 3.500 . 4.100 3.102 2.576 3.458 . 0 0 "[ . 1 . 2]" 1
66 1 11 GLU H 1 11 GLU QG 2.900 . 3.900 2.748 2.269 3.367 . 0 0 "[ . 1 . 2]" 1
67 1 11 GLU H 1 12 PRO QD 5.000 . 6.000 3.863 2.840 4.230 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLU H 1 46 THR MG 3.500 . 5.000 3.608 3.231 3.917 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLU H 1 54 LEU QD 3.500 . 5.900 4.239 3.973 4.404 . 0 0 "[ . 1 . 2]" 1
70 1 12 PRO HA 1 13 GLY H 2.900 . 2.900 2.393 2.314 2.507 . 0 0 "[ . 1 . 2]" 1
71 1 12 PRO HA 1 46 THR H 5.000 . 5.000 4.604 4.215 4.973 . 0 0 "[ . 1 . 2]" 1
72 1 12 PRO QB 1 13 GLY H 3.500 . 4.500 3.897 3.819 3.979 . 0 0 "[ . 1 . 2]" 1
73 1 13 GLY QA 1 14 LEU H 2.900 . 3.900 2.199 2.174 2.241 . 0 0 "[ . 1 . 2]" 1
74 1 13 GLY H 1 14 LEU H 3.500 . 3.500 3.544 3.457 3.571 0.071 8 0 "[ . 1 . 2]" 1
75 1 13 GLY H 1 45 LYS HA 5.000 . 5.000 4.903 4.636 5.002 0.002 9 0 "[ . 1 . 2]" 1
76 1 13 GLY H 1 46 THR HA 5.000 . 5.000 4.589 4.414 4.742 . 0 0 "[ . 1 . 2]" 1
77 1 13 GLY H 1 46 THR HB 2.900 . 2.900 2.361 2.003 2.719 . 0 0 "[ . 1 . 2]" 1
78 1 13 GLY H 1 46 THR MG 3.500 . 5.000 3.642 3.179 3.952 . 0 0 "[ . 1 . 2]" 1
79 1 13 GLY H 1 46 THR H 3.500 . 3.500 3.027 2.746 3.157 . 0 0 "[ . 1 . 2]" 1
80 1 14 LEU HA 1 15 GLN H 2.900 . 2.900 2.256 2.184 2.333 . 0 0 "[ . 1 . 2]" 1
81 1 14 LEU HA 1 46 THR H 3.500 . 3.500 2.977 2.686 3.163 . 0 0 "[ . 1 . 2]" 1
82 1 14 LEU H 1 14 LEU QB 2.900 . 3.500 2.842 2.775 2.875 . 0 0 "[ . 1 . 2]" 1
83 1 14 LEU QB 1 15 GLN H 5.000 . 6.000 3.629 3.504 3.867 . 0 0 "[ . 1 . 2]" 1
84 1 14 LEU QD 1 15 GLN H 2.900 . 5.300 2.694 1.799 3.383 0.001 6 0 "[ . 1 . 2]" 1
85 1 14 LEU QD 1 44 LEU H 5.000 . 7.400 3.773 2.893 4.201 . 0 0 "[ . 1 . 2]" 1
86 1 14 LEU QD 1 45 LYS H 5.000 . 7.400 4.148 3.314 4.830 . 0 0 "[ . 1 . 2]" 1
87 1 14 LEU QD 1 46 THR H 5.000 . 7.400 4.232 3.458 4.759 . 0 0 "[ . 1 . 2]" 1
88 1 14 LEU HG 1 15 GLN H 5.000 . 5.000 2.341 1.816 3.830 . 0 0 "[ . 1 . 2]" 1
89 1 15 GLN HA 1 16 ILE H 2.900 . 2.900 2.233 2.198 2.291 . 0 0 "[ . 1 . 2]" 1
90 1 15 GLN H 1 15 GLN QB 3.500 . 4.100 2.685 2.371 2.994 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLN QB 1 16 ILE H 5.000 . 6.000 3.079 2.853 3.248 . 0 0 "[ . 1 . 2]" 1
92 1 15 GLN QG 1 16 ILE H 5.000 . 6.000 4.158 3.751 4.508 . 0 0 "[ . 1 . 2]" 1
93 1 15 GLN H 1 16 ILE H 5.000 . 5.000 4.440 4.325 4.570 . 0 0 "[ . 1 . 2]" 1
94 1 15 GLN H 1 43 ILE HA 5.000 . 5.000 4.639 4.279 4.979 . 0 0 "[ . 1 . 2]" 1
95 1 15 GLN H 1 44 LEU H 3.500 . 3.500 3.021 2.723 3.366 . 0 0 "[ . 1 . 2]" 1
96 1 16 ILE HA 1 17 TRP H 2.900 . 2.900 2.251 2.204 2.382 . 0 0 "[ . 1 . 2]" 1
97 1 16 ILE HA 1 44 LEU H 5.000 . 5.000 3.900 3.553 4.108 . 0 0 "[ . 1 . 2]" 1
98 1 16 ILE H 1 16 ILE HB 3.500 . 3.500 2.660 2.518 2.915 . 0 0 "[ . 1 . 2]" 1
99 1 16 ILE H 1 16 ILE MD 5.000 . 6.500 3.532 2.794 4.005 . 0 0 "[ . 1 . 2]" 1
100 1 16 ILE MD 1 17 TRP H 5.000 . 6.500 5.086 4.683 5.452 . 0 0 "[ . 1 . 2]" 1
101 1 16 ILE MD 1 33 GLY H 3.500 . 5.000 3.618 2.903 4.094 . 0 0 "[ . 1 . 2]" 1
102 1 16 ILE H 1 16 ILE HG13 5.000 . 5.000 2.640 2.081 3.116 . 0 0 "[ . 1 . 2]" 1
103 1 16 ILE MG 1 17 TRP H 2.900 . 4.400 2.421 1.917 3.122 . 0 0 "[ . 1 . 2]" 1
104 1 16 ILE MG 1 27 VAL H 5.000 . 6.500 4.668 4.039 5.116 . 0 0 "[ . 1 . 2]" 1
105 1 16 ILE MG 1 42 VAL H 5.000 . 6.500 4.410 4.148 4.614 . 0 0 "[ . 1 . 2]" 1
106 1 16 ILE H 1 17 TRP H 5.000 . 5.000 4.487 4.141 4.628 . 0 0 "[ . 1 . 2]" 1
107 1 17 TRP HA 1 18 ARG H 2.900 . 2.900 2.300 2.195 2.470 . 0 0 "[ . 1 . 2]" 1
108 1 17 TRP HA 1 27 VAL H 3.500 . 3.500 3.121 2.367 3.486 . 0 0 "[ . 1 . 2]" 1
109 1 17 TRP QB 1 18 ARG H 3.500 . 4.500 3.018 2.566 3.597 . 0 0 "[ . 1 . 2]" 1
110 1 17 TRP QB 1 25 VAL H 5.000 . 6.000 4.153 3.521 4.924 . 0 0 "[ . 1 . 2]" 1
111 1 17 TRP HD1 1 27 VAL H 5.000 . 5.000 3.624 1.772 4.725 0.028 20 0 "[ . 1 . 2]" 1
112 1 17 TRP H 1 42 VAL H 3.500 . 3.500 3.500 3.431 3.532 0.032 8 0 "[ . 1 . 2]" 1
113 1 17 TRP H 1 43 ILE HA 5.000 . 5.000 3.426 3.161 3.588 . 0 0 "[ . 1 . 2]" 1
114 1 18 ARG HA 1 19 VAL H 3.500 . 3.500 2.302 2.244 2.345 . 0 0 "[ . 1 . 2]" 1
115 1 18 ARG HA 1 42 VAL H 5.000 . 5.000 3.128 2.793 3.551 . 0 0 "[ . 1 . 2]" 1
116 1 18 ARG H 1 18 ARG QB 3.500 . 4.100 2.385 2.246 2.710 . 0 0 "[ . 1 . 2]" 1
117 1 18 ARG QG 1 19 VAL H 5.000 . 6.000 2.153 1.829 3.207 . 0 0 "[ . 1 . 2]" 1
118 1 18 ARG H 1 25 VAL HB 5.000 . 5.000 3.919 3.263 4.765 . 0 0 "[ . 1 . 2]" 1
119 1 18 ARG H 1 25 VAL H 3.500 . 3.500 3.417 2.946 3.509 0.009 14 0 "[ . 1 . 2]" 1
120 1 18 ARG H 1 26 PRO HA 3.500 . 3.500 3.419 2.956 3.501 0.001 9 0 "[ . 1 . 2]" 1
121 1 18 ARG H 1 27 VAL QG 3.500 . 5.900 2.484 1.725 3.836 0.075 14 0 "[ . 1 . 2]" 1
122 1 18 ARG H 1 27 VAL H 5.000 . 5.000 3.998 3.368 4.776 . 0 0 "[ . 1 . 2]" 1
123 1 19 VAL HA 1 20 GLU H 2.900 . 2.900 2.225 2.189 2.277 . 0 0 "[ . 1 . 2]" 1
124 1 19 VAL HA 1 23 ASP H 5.000 . 5.000 4.822 3.737 5.015 0.015 4 0 "[ . 1 . 2]" 1
125 1 19 VAL HA 1 25 VAL H 5.000 . 5.000 3.153 2.825 3.679 . 0 0 "[ . 1 . 2]" 1
126 1 19 VAL H 1 19 VAL HB 2.900 . 2.900 2.558 2.339 2.717 . 0 0 "[ . 1 . 2]" 1
127 1 19 VAL H 1 19 VAL QG 2.900 . 4.600 2.169 1.979 2.903 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL QG 1 20 GLU H 3.500 . 5.900 2.497 2.225 2.839 . 0 0 "[ . 1 . 2]" 1
129 1 19 VAL QG 1 21 LYS H 3.500 . 5.900 4.064 3.105 4.374 . 0 0 "[ . 1 . 2]" 1
130 1 19 VAL QG 1 22 PHE H 5.000 . 7.400 3.564 1.758 4.363 0.042 10 0 "[ . 1 . 2]" 1
131 1 19 VAL H 1 41 TYR HA 3.500 . 3.500 3.036 2.721 3.488 . 0 0 "[ . 1 . 2]" 1
132 1 19 VAL H 1 42 VAL H 5.000 . 5.000 4.213 3.970 4.625 . 0 0 "[ . 1 . 2]" 1
133 1 20 GLU HA 1 21 LYS H 2.900 . 2.900 2.316 2.203 2.352 . 0 0 "[ . 1 . 2]" 1
134 1 20 GLU H 1 20 GLU QB 3.500 . 4.100 2.354 2.183 2.850 . 0 0 "[ . 1 . 2]" 1
135 1 20 GLU QB 1 21 LYS H 5.000 . 6.000 3.561 3.204 4.066 . 0 0 "[ . 1 . 2]" 1
136 1 20 GLU QB 1 23 ASP H 5.000 . 6.000 2.400 1.721 4.985 0.079 7 0 "[ . 1 . 2]" 1
137 1 20 GLU H 1 21 LYS H 5.000 . 5.000 4.447 4.078 4.690 . 0 0 "[ . 1 . 2]" 1
138 1 20 GLU H 1 23 ASP H 3.500 . 3.500 2.994 2.478 3.276 . 0 0 "[ . 1 . 2]" 1
139 1 20 GLU H 1 24 LEU HA 5.000 . 5.000 2.406 1.769 3.530 0.031 5 0 "[ . 1 . 2]" 1
140 1 20 GLU H 1 25 VAL QG 3.500 . 5.900 2.915 1.718 3.915 0.082 18 0 "[ . 1 . 2]" 1
141 1 20 GLU H 1 25 VAL H 5.000 . 5.000 3.550 3.090 4.070 . 0 0 "[ . 1 . 2]" 1
142 1 21 LYS H 1 21 LYS HA 2.900 . 2.900 2.621 2.358 2.811 . 0 0 "[ . 1 . 2]" 1
143 1 21 LYS HA 1 22 PHE H 3.500 . 3.500 3.345 2.754 3.550 0.050 19 0 "[ . 1 . 2]" 1
144 1 21 LYS HA 1 23 ASP H 5.000 . 5.000 4.755 4.449 5.033 0.033 4 0 "[ . 1 . 2]" 1
145 1 21 LYS H 1 21 LYS QB 3.500 . 4.100 2.740 2.223 3.539 . 0 0 "[ . 1 . 2]" 1
146 1 21 LYS QB 1 22 PHE H 3.500 . 4.500 3.274 2.734 3.931 . 0 0 "[ . 1 . 2]" 1
147 1 21 LYS QB 1 23 ASP H 5.000 . 6.000 4.488 3.645 5.265 . 0 0 "[ . 1 . 2]" 1
148 1 21 LYS H 1 21 LYS QG 3.500 . 4.500 2.906 1.772 4.099 0.028 2 0 "[ . 1 . 2]" 1
149 1 21 LYS QG 1 22 PHE H 5.000 . 6.000 4.169 2.397 4.627 . 0 0 "[ . 1 . 2]" 1
150 1 21 LYS H 1 22 PHE H 3.500 . 3.500 2.882 2.525 3.263 . 0 0 "[ . 1 . 2]" 1
151 1 21 LYS H 1 25 VAL QG 3.500 . 5.900 3.932 3.790 4.389 . 0 0 "[ . 1 . 2]" 1
152 1 22 PHE QB 1 23 ASP H 5.000 . 6.000 3.584 2.768 4.021 . 0 0 "[ . 1 . 2]" 1
153 1 22 PHE H 1 23 ASP H 2.900 . 2.900 2.073 1.741 2.911 0.059 19 0 "[ . 1 . 2]" 1
154 1 23 ASP H 1 23 ASP HA 2.900 . 2.900 2.942 2.896 3.007 0.107 4 0 "[ . 1 . 2]" 1
155 1 23 ASP HA 1 24 LEU H 3.500 . 3.500 3.112 2.468 3.384 . 0 0 "[ . 1 . 2]" 1
156 1 23 ASP H 1 23 ASP QB 2.900 . 3.500 2.819 2.128 3.101 . 0 0 "[ . 1 . 2]" 1
157 1 23 ASP QB 1 24 LEU H 3.500 . 4.500 1.895 1.640 3.245 0.160 5 0 "[ . 1 . 2]" 1
158 1 24 LEU HA 1 25 VAL H 2.900 . 2.900 2.260 2.212 2.286 . 0 0 "[ . 1 . 2]" 1
159 1 24 LEU QD 1 25 VAL H 3.500 . 5.900 2.867 1.615 4.056 0.185 20 0 "[ . 1 . 2]" 1
160 1 25 VAL H 1 25 VAL HB 2.900 . 2.900 2.878 2.664 3.028 0.128 13 0 "[ . 1 . 2]" 1
161 1 25 VAL H 1 25 VAL QG 2.900 . 4.600 2.626 2.255 3.176 . 0 0 "[ . 1 . 2]" 1
162 1 26 PRO HA 1 27 VAL H 2.900 . 2.900 2.298 2.205 2.527 . 0 0 "[ . 1 . 2]" 1
163 1 26 PRO QB 1 27 VAL H 3.500 . 4.500 2.997 2.418 3.303 . 0 0 "[ . 1 . 2]" 1
164 1 27 VAL H 1 27 VAL HB 2.900 . 2.900 2.627 2.455 2.903 0.003 7 0 "[ . 1 . 2]" 1
165 1 27 VAL H 1 27 VAL QG 2.900 . 4.600 2.587 1.948 2.885 . 0 0 "[ . 1 . 2]" 1
166 1 28 PRO HA 1 29 THR H 2.900 . 2.900 2.341 2.194 2.454 . 0 0 "[ . 1 . 2]" 1
167 1 28 PRO QB 1 29 THR H 2.900 . 3.900 2.899 2.564 3.377 . 0 0 "[ . 1 . 2]" 1
168 1 28 PRO QB 1 31 LEU H 5.000 . 6.000 3.462 2.710 4.675 . 0 0 "[ . 1 . 2]" 1
169 1 28 PRO QG 1 29 THR H 5.000 . 6.000 4.483 4.191 4.757 . 0 0 "[ . 1 . 2]" 1
170 1 28 PRO QG 1 31 LEU H 5.000 . 6.000 4.367 2.930 5.303 . 0 0 "[ . 1 . 2]" 1
171 1 29 THR H 1 29 THR HA 2.900 . 2.900 2.896 2.836 2.952 0.052 10 0 "[ . 1 . 2]" 1
172 1 29 THR HA 1 31 LEU H 3.500 . 3.500 3.425 3.096 3.524 0.024 5 0 "[ . 1 . 2]" 1
173 1 29 THR HA 1 32 TYR H 5.000 . 5.000 2.870 2.597 3.327 . 0 0 "[ . 1 . 2]" 1
174 1 29 THR H 1 29 THR HB 3.500 . 3.500 2.961 2.373 3.554 0.054 9 0 "[ . 1 . 2]" 1
175 1 29 THR H 1 29 THR MG 2.900 . 4.400 2.949 1.761 3.773 0.039 19 0 "[ . 1 . 2]" 1
176 1 30 ASN HA 1 31 LEU H 3.500 . 3.500 3.451 3.335 3.574 0.074 2 0 "[ . 1 . 2]" 1
177 1 30 ASN HA 1 32 TYR H 5.000 . 5.000 4.581 4.268 5.003 0.003 19 0 "[ . 1 . 2]" 1
178 1 30 ASN QB 1 31 LEU H 5.000 . 6.000 3.043 2.589 3.342 . 0 0 "[ . 1 . 2]" 1
179 1 30 ASN H 1 31 LEU H 3.500 . 3.500 2.772 2.357 3.338 . 0 0 "[ . 1 . 2]" 1
180 1 31 LEU H 1 31 LEU HA 2.900 . 2.900 3.010 2.956 3.029 0.129 13 0 "[ . 1 . 2]" 1
181 1 31 LEU HA 1 32 TYR H 3.500 . 3.500 3.448 3.149 3.581 0.081 1 0 "[ . 1 . 2]" 1
182 1 31 LEU H 1 31 LEU QB 3.500 . 4.100 2.694 2.407 3.349 . 0 0 "[ . 1 . 2]" 1
183 1 31 LEU H 1 31 LEU QD 3.500 . 5.200 3.236 2.288 3.523 . 0 0 "[ . 1 . 2]" 1
184 1 31 LEU H 1 31 LEU HG 2.900 . 2.900 2.644 2.137 2.927 0.027 5 0 "[ . 1 . 2]" 1
185 1 31 LEU H 1 32 TYR H 2.900 . 2.900 1.913 1.712 2.444 0.088 12 0 "[ . 1 . 2]" 1
186 1 32 TYR HA 1 33 GLY H 2.900 . 2.900 2.307 2.187 2.633 . 0 0 "[ . 1 . 2]" 1
187 1 32 TYR HA 1 34 ASP H 3.500 . 3.500 3.338 3.022 3.483 . 0 0 "[ . 1 . 2]" 1
188 1 32 TYR H 1 32 TYR QB 2.900 . 3.500 2.227 2.080 2.355 . 0 0 "[ . 1 . 2]" 1
189 1 32 TYR H 1 32 TYR QD 5.000 . 7.000 3.124 1.901 4.223 . 0 0 "[ . 1 . 2]" 1
190 1 32 TYR H 1 32 TYR QE 5.000 . 7.000 5.322 4.176 6.260 . 0 0 "[ . 1 . 2]" 1
191 1 33 GLY QA 1 34 ASP H 3.500 . 4.500 2.891 2.744 2.950 . 0 0 "[ . 1 . 2]" 1
192 1 33 GLY H 1 34 ASP H 2.900 . 2.900 2.476 2.149 2.921 0.021 12 0 "[ . 1 . 2]" 1
193 1 34 ASP HA 1 112 LYS H 3.500 . 3.500 3.152 2.533 3.484 . 0 0 "[ . 1 . 2]" 1
194 1 34 ASP HA 1 35 PHE H 2.900 . 2.900 2.270 2.185 2.389 . 0 0 "[ . 1 . 2]" 1
195 1 34 ASP H 1 34 ASP QB 2.900 . 3.500 2.566 2.251 3.069 . 0 0 "[ . 1 . 2]" 1
196 1 34 ASP QB 1 35 PHE H 5.000 . 6.000 3.268 2.609 4.013 . 0 0 "[ . 1 . 2]" 1
197 1 34 ASP H 1 35 PHE H 5.000 . 5.000 4.422 3.863 4.672 . 0 0 "[ . 1 . 2]" 1
198 1 35 PHE HA 1 36 PHE H 3.500 . 3.500 2.236 2.187 2.445 . 0 0 "[ . 1 . 2]" 1
199 1 35 PHE H 1 35 PHE QB 3.500 . 4.100 2.557 2.290 3.018 . 0 0 "[ . 1 . 2]" 1
200 1 35 PHE H 1 35 PHE QD 5.000 . 7.000 2.801 1.889 3.649 . 0 0 "[ . 1 . 2]" 1
201 1 35 PHE H 1 113 TYR HA 5.000 . 5.000 3.041 2.259 3.641 . 0 0 "[ . 1 . 2]" 1
202 1 35 PHE H 1 114 LYS H 5.000 . 5.000 3.721 2.788 4.439 . 0 0 "[ . 1 . 2]" 1
203 1 36 PHE HA 1 114 LYS H 3.500 . 3.500 3.076 2.544 3.478 . 0 0 "[ . 1 . 2]" 1
204 1 36 PHE HA 1 37 THR H 2.900 . 2.900 2.246 2.188 2.426 . 0 0 "[ . 1 . 2]" 1
205 1 36 PHE H 1 36 PHE QD 5.000 . 7.000 3.079 1.927 4.244 . 0 0 "[ . 1 . 2]" 1
206 1 36 PHE QD 1 37 THR H 5.000 . 7.000 3.868 2.243 4.621 . 0 0 "[ . 1 . 2]" 1
207 1 36 PHE H 1 41 TYR QE 5.000 . 7.000 2.500 1.736 3.427 0.064 11 0 "[ . 1 . 2]" 1
208 1 37 THR HA 1 38 GLY H 5.000 . 5.000 3.386 3.355 3.494 . 0 0 "[ . 1 . 2]" 1
209 1 37 THR HA 1 63 GLY H 5.000 . 5.000 4.918 4.712 5.025 0.025 17 0 "[ . 1 . 2]" 1
210 1 37 THR HA 1 64 ASN H 3.500 . 3.500 3.427 3.125 3.494 . 0 0 "[ . 1 . 2]" 1
211 1 37 THR HB 1 64 ASN H 3.500 . 3.500 2.471 1.917 3.459 . 0 0 "[ . 1 . 2]" 1
212 1 37 THR HB 1 65 GLU H 5.000 . 5.000 3.016 2.655 3.414 . 0 0 "[ . 1 . 2]" 1
213 1 37 THR MG 1 114 LYS H 3.500 . 5.000 3.525 2.907 4.046 . 0 0 "[ . 1 . 2]" 1
214 1 37 THR H 1 37 THR MG 2.900 . 4.400 2.048 1.778 2.438 0.022 2 0 "[ . 1 . 2]" 1
215 1 37 THR MG 1 38 GLY H 5.000 . 6.500 3.931 3.746 4.193 . 0 0 "[ . 1 . 2]" 1
216 1 37 THR MG 1 64 ASN H 3.500 . 5.000 3.581 2.923 4.108 . 0 0 "[ . 1 . 2]" 1
217 1 37 THR MG 1 65 GLU H 5.000 . 6.500 4.583 4.288 4.789 . 0 0 "[ . 1 . 2]" 1
218 1 37 THR H 1 114 LYS H 5.000 . 5.000 3.939 3.130 4.807 . 0 0 "[ . 1 . 2]" 1
219 1 37 THR H 1 115 LYS HA 5.000 . 5.000 3.557 2.676 4.397 . 0 0 "[ . 1 . 2]" 1
220 1 37 THR H 1 116 GLY H 5.000 . 5.000 4.423 3.214 4.986 . 0 0 "[ . 1 . 2]" 1
221 1 37 THR H 1 38 GLY H 5.000 . 5.000 2.523 2.222 2.821 . 0 0 "[ . 1 . 2]" 1
222 1 38 GLY QA 1 39 ASP H 3.500 . 4.500 2.783 2.391 2.936 . 0 0 "[ . 1 . 2]" 1
223 1 38 GLY QA 1 65 GLU H 5.000 . 6.000 3.937 3.668 4.311 . 0 0 "[ . 1 . 2]" 1
224 1 38 GLY QA 1 66 CYS H 5.000 . 6.000 4.865 4.371 5.029 . 0 0 "[ . 1 . 2]" 1
225 1 38 GLY H 1 39 ASP H 2.900 . 2.900 2.835 2.605 2.919 0.019 14 0 "[ . 1 . 2]" 1
226 1 39 ASP H 1 39 ASP HA 2.900 . 2.900 2.942 2.906 2.961 0.061 13 0 "[ . 1 . 2]" 1
227 1 39 ASP HA 1 40 ALA H 2.900 . 2.900 2.463 2.220 2.759 . 0 0 "[ . 1 . 2]" 1
228 1 39 ASP H 1 39 ASP QB 2.900 . 3.500 2.861 2.462 2.975 . 0 0 "[ . 1 . 2]" 1
229 1 39 ASP QB 1 40 ALA H 3.500 . 4.500 2.676 1.860 3.526 . 0 0 "[ . 1 . 2]" 1
230 1 39 ASP H 1 40 ALA H 5.000 . 5.000 4.414 4.237 4.699 . 0 0 "[ . 1 . 2]" 1
231 1 40 ALA HA 1 41 TYR H 2.900 . 2.900 2.295 2.199 2.472 . 0 0 "[ . 1 . 2]" 1
232 1 40 ALA HA 1 63 GLY H 5.000 . 5.000 3.923 3.458 4.202 . 0 0 "[ . 1 . 2]" 1
233 1 40 ALA H 1 40 ALA MB 2.900 . 4.000 2.380 2.141 2.618 . 0 0 "[ . 1 . 2]" 1
234 1 40 ALA MB 1 41 TYR H 2.900 . 4.400 2.821 2.374 3.184 . 0 0 "[ . 1 . 2]" 1
235 1 40 ALA MB 1 63 GLY H 5.000 . 6.500 3.938 3.430 4.473 . 0 0 "[ . 1 . 2]" 1
236 1 40 ALA MB 1 71 SER H 5.000 . 6.500 4.881 4.263 5.294 . 0 0 "[ . 1 . 2]" 1
237 1 41 TYR HA 1 42 VAL H 2.900 . 2.900 2.227 2.212 2.269 . 0 0 "[ . 1 . 2]" 1
238 1 41 TYR QB 1 42 VAL H 3.500 . 4.500 3.097 2.906 3.238 . 0 0 "[ . 1 . 2]" 1
239 1 41 TYR H 1 41 TYR QD 5.000 . 7.000 2.688 2.104 3.305 . 0 0 "[ . 1 . 2]" 1
240 1 41 TYR H 1 42 VAL H 5.000 . 5.000 4.467 4.368 4.539 . 0 0 "[ . 1 . 2]" 1
241 1 41 TYR H 1 61 TRP HE3 5.000 . 5.000 3.426 2.428 5.029 0.029 13 0 "[ . 1 . 2]" 1
242 1 41 TYR H 1 61 TRP H 3.500 . 3.500 3.325 2.912 3.504 0.004 8 0 "[ . 1 . 2]" 1
243 1 42 VAL HA 1 43 ILE H 2.900 . 2.900 2.246 2.210 2.292 . 0 0 "[ . 1 . 2]" 1
244 1 42 VAL HA 1 61 TRP H 3.500 . 3.500 3.345 3.187 3.506 0.006 9 0 "[ . 1 . 2]" 1
245 1 42 VAL H 1 42 VAL HB 2.900 . 2.900 3.036 2.929 3.122 0.222 11 0 "[ . 1 . 2]" 1
246 1 42 VAL H 1 42 VAL QG 3.500 . 5.200 1.940 1.742 2.187 0.058 11 0 "[ . 1 . 2]" 1
247 1 42 VAL QG 1 43 ILE H 2.900 . 5.300 2.668 2.422 2.951 . 0 0 "[ . 1 . 2]" 1
248 1 42 VAL QG 1 61 TRP H 5.000 . 7.400 4.040 3.782 4.263 . 0 0 "[ . 1 . 2]" 1
249 1 42 VAL QG 1 77 PHE H 5.000 . 7.400 5.278 4.895 5.486 . 0 0 "[ . 1 . 2]" 1
250 1 42 VAL QG 1 78 THR H 3.500 . 5.900 4.232 4.035 4.370 . 0 0 "[ . 1 . 2]" 1
251 1 42 VAL H 1 43 ILE MD 3.500 . 5.000 3.133 2.717 3.890 . 0 0 "[ . 1 . 2]" 1
252 1 42 VAL H 1 43 ILE H 5.000 . 5.000 4.516 4.375 4.603 . 0 0 "[ . 1 . 2]" 1
253 1 43 ILE HA 1 44 LEU H 2.900 . 2.900 2.217 2.174 2.300 . 0 0 "[ . 1 . 2]" 1
254 1 43 ILE H 1 43 ILE HB 3.500 . 3.500 3.193 3.101 3.378 . 0 0 "[ . 1 . 2]" 1
255 1 43 ILE HB 1 59 HIS H 3.500 . 3.500 3.371 2.948 3.526 0.026 15 0 "[ . 1 . 2]" 1
256 1 43 ILE H 1 43 ILE MD 2.900 . 4.400 2.661 1.716 3.243 0.084 6 0 "[ . 1 . 2]" 1
257 1 43 ILE MD 1 61 TRP H 3.500 . 5.000 3.581 2.714 3.974 . 0 0 "[ . 1 . 2]" 1
258 1 43 ILE MG 1 44 LEU H 3.500 . 5.000 2.707 2.349 3.168 . 0 0 "[ . 1 . 2]" 1
259 1 43 ILE H 1 59 HIS QB 5.000 . 6.000 3.931 3.425 4.979 . 0 0 "[ . 1 . 2]" 1
260 1 43 ILE H 1 59 HIS H 3.500 . 3.500 3.144 2.865 3.454 . 0 0 "[ . 1 . 2]" 1
261 1 43 ILE H 1 60 TYR HA 5.000 . 5.000 3.321 2.836 3.809 . 0 0 "[ . 1 . 2]" 1
262 1 43 ILE H 1 61 TRP H 5.000 . 5.000 4.463 3.903 4.914 . 0 0 "[ . 1 . 2]" 1
263 1 44 LEU HA 1 45 LYS H 2.900 . 2.900 2.191 2.172 2.283 . 0 0 "[ . 1 . 2]" 1
264 1 44 LEU H 1 44 LEU QB 3.500 . 4.100 2.512 2.288 2.681 . 0 0 "[ . 1 . 2]" 1
265 1 44 LEU QD 1 45 LYS H 2.900 . 5.300 2.837 1.875 3.497 . 0 0 "[ . 1 . 2]" 1
266 1 44 LEU QD 1 56 TYR H 5.000 . 7.400 5.378 5.213 5.509 . 0 0 "[ . 1 . 2]" 1
267 1 44 LEU QD 1 57 ASP H 3.500 . 5.900 3.237 2.500 3.845 . 0 0 "[ . 1 . 2]" 1
268 1 44 LEU QD 1 58 LEU H 5.000 . 7.400 4.976 3.870 5.521 . 0 0 "[ . 1 . 2]" 1
269 1 44 LEU QD 1 59 HIS H 5.000 . 7.400 5.098 4.346 5.498 . 0 0 "[ . 1 . 2]" 1
270 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 4.540 4.110 4.697 . 0 0 "[ . 1 . 2]" 1
271 1 45 LYS HA 1 46 THR H 2.900 . 2.900 2.238 2.181 2.300 . 0 0 "[ . 1 . 2]" 1
272 1 45 LYS H 1 45 LYS QB 3.500 . 4.100 2.342 2.255 2.558 . 0 0 "[ . 1 . 2]" 1
273 1 45 LYS QB 1 46 THR H 5.000 . 6.000 3.697 3.411 3.997 . 0 0 "[ . 1 . 2]" 1
274 1 45 LYS QB 1 57 ASP H 5.000 . 6.000 3.037 2.437 3.575 . 0 0 "[ . 1 . 2]" 1
275 1 45 LYS H 1 45 LYS QG 3.500 . 4.500 3.981 3.867 4.129 . 0 0 "[ . 1 . 2]" 1
276 1 45 LYS QG 1 46 THR H 5.000 . 6.000 2.606 2.110 3.840 . 0 0 "[ . 1 . 2]" 1
277 1 45 LYS H 1 56 TYR HA 5.000 . 5.000 4.919 4.313 5.037 0.037 8 0 "[ . 1 . 2]" 1
278 1 45 LYS H 1 57 ASP H 3.500 . 3.500 3.185 2.885 3.384 . 0 0 "[ . 1 . 2]" 1
279 1 45 LYS H 1 58 LEU HA 2.900 . 2.900 2.914 2.856 2.944 0.044 10 0 "[ . 1 . 2]" 1
280 1 46 THR HA 1 47 VAL H 2.900 . 2.900 2.207 2.191 2.245 . 0 0 "[ . 1 . 2]" 1
281 1 46 THR HA 1 55 GLN H 5.000 . 5.000 4.746 4.627 4.816 . 0 0 "[ . 1 . 2]" 1
282 1 46 THR HA 1 57 ASP H 5.000 . 5.000 3.349 2.995 3.592 . 0 0 "[ . 1 . 2]" 1
283 1 46 THR H 1 46 THR HB 3.500 . 3.500 2.848 2.505 3.116 . 0 0 "[ . 1 . 2]" 1
284 1 46 THR HB 1 47 VAL H 5.000 . 5.000 4.174 3.961 4.337 . 0 0 "[ . 1 . 2]" 1
285 1 46 THR MG 1 47 VAL H 2.900 . 4.400 2.768 2.237 3.118 . 0 0 "[ . 1 . 2]" 1
286 1 47 VAL HA 1 48 GLN H 2.900 . 2.900 2.460 2.452 2.470 . 0 0 "[ . 1 . 2]" 1
287 1 47 VAL H 1 47 VAL HB 2.900 . 2.900 3.048 3.027 3.061 0.161 7 0 "[ . 1 . 2]" 1
288 1 47 VAL HB 1 48 GLN H 2.900 . 2.900 3.071 3.045 3.103 0.203 2 0 "[ . 1 . 2]" 1
289 1 47 VAL HB 1 55 GLN H 3.500 . 3.500 3.519 3.470 3.544 0.044 10 0 "[ . 1 . 2]" 1
290 1 47 VAL H 1 47 VAL QG 2.900 . 4.600 2.287 2.208 2.348 . 0 0 "[ . 1 . 2]" 1
291 1 47 VAL QG 1 55 GLN H 3.500 . 5.900 3.859 3.753 3.939 . 0 0 "[ . 1 . 2]" 1
292 1 47 VAL H 1 48 GLN H 5.000 . 5.000 4.497 4.483 4.515 . 0 0 "[ . 1 . 2]" 1
293 1 47 VAL H 1 55 GLN H 2.900 . 2.900 2.966 2.924 2.985 0.085 8 0 "[ . 1 . 2]" 1
294 1 47 VAL H 1 56 TYR HA 5.000 . 5.000 3.996 3.808 4.181 . 0 0 "[ . 1 . 2]" 1
295 1 48 GLN HA 1 49 LEU H 2.900 . 2.900 2.208 2.185 2.253 . 0 0 "[ . 1 . 2]" 1
296 1 48 GLN HA 1 55 GLN H 3.500 . 3.500 3.340 3.240 3.496 . 0 0 "[ . 1 . 2]" 1
297 1 48 GLN H 1 48 GLN QB 2.900 . 3.500 2.379 2.214 2.461 . 0 0 "[ . 1 . 2]" 1
298 1 48 GLN QB 1 49 LEU H 3.500 . 4.500 3.862 3.475 4.027 . 0 0 "[ . 1 . 2]" 1
299 1 48 GLN HE22 1 52 GLY QA 5.000 . 6.000 4.705 4.079 5.363 . 0 0 "[ . 1 . 2]" 1
300 1 48 GLN H 1 48 GLN QG 3.500 . 4.500 4.013 3.193 4.128 . 0 0 "[ . 1 . 2]" 1
301 1 48 GLN QG 1 49 LEU H 3.500 . 4.500 3.157 2.628 3.741 . 0 0 "[ . 1 . 2]" 1
302 1 48 GLN QG 1 52 GLY H 5.000 . 6.000 4.057 3.678 5.130 . 0 0 "[ . 1 . 2]" 1
303 1 48 GLN H 1 54 LEU QD 3.500 . 5.900 3.610 3.572 3.714 . 0 0 "[ . 1 . 2]" 1
304 1 49 LEU H 1 49 LEU QB 2.900 . 3.500 2.394 2.197 2.799 . 0 0 "[ . 1 . 2]" 1
305 1 49 LEU QB 1 53 ASN H 5.000 . 6.000 2.274 1.738 3.370 0.062 10 0 "[ . 1 . 2]" 1
306 1 49 LEU H 1 49 LEU QD 3.500 . 5.200 2.990 1.674 3.302 0.126 18 0 "[ . 1 . 2]" 1
307 1 49 LEU QD 1 53 ASN H 3.500 . 5.900 3.084 2.098 4.192 . 0 0 "[ . 1 . 2]" 1
308 1 49 LEU H 1 49 LEU HG 2.900 . 2.900 2.591 1.990 2.925 0.025 1 0 "[ . 1 . 2]" 1
309 1 49 LEU HG 1 55 GLN H 5.000 . 5.000 2.825 2.392 3.538 . 0 0 "[ . 1 . 2]" 1
310 1 49 LEU H 1 52 GLY H 5.000 . 5.000 3.588 2.861 4.132 . 0 0 "[ . 1 . 2]" 1
311 1 49 LEU H 1 53 ASN H 3.500 . 3.500 3.023 2.363 3.484 . 0 0 "[ . 1 . 2]" 1
312 1 49 LEU H 1 54 LEU HA 3.500 . 3.500 3.039 2.581 3.358 . 0 0 "[ . 1 . 2]" 1
313 1 49 LEU H 1 54 LEU QD 3.500 . 5.900 3.889 3.737 4.203 . 0 0 "[ . 1 . 2]" 1
314 1 50 ARG HA 1 52 GLY H 5.000 . 5.000 4.138 3.449 4.787 . 0 0 "[ . 1 . 2]" 1
315 1 51 ASN HA 1 52 GLY H 3.500 . 3.500 3.399 2.715 3.544 0.044 17 0 "[ . 1 . 2]" 1
316 1 52 GLY QA 1 53 ASN H 3.500 . 4.500 2.656 2.348 2.854 . 0 0 "[ . 1 . 2]" 1
317 1 52 GLY H 1 53 ASN H 2.900 . 2.900 2.456 2.140 2.920 0.020 9 0 "[ . 1 . 2]" 1
318 1 53 ASN H 1 53 ASN HA 2.900 . 2.900 2.980 2.907 3.028 0.128 19 0 "[ . 1 . 2]" 1
319 1 53 ASN HA 1 54 LEU H 2.900 . 2.900 3.116 3.008 3.193 0.293 2 0 "[ . 1 . 2]" 1
320 1 53 ASN H 1 53 ASN QB 2.900 . 3.500 2.433 2.168 2.943 . 0 0 "[ . 1 . 2]" 1
321 1 53 ASN QB 1 54 LEU H 2.900 . 3.900 3.582 3.470 3.716 . 0 0 "[ . 1 . 2]" 1
322 1 53 ASN H 1 54 LEU H 3.500 . 3.500 2.349 1.740 2.709 0.060 9 0 "[ . 1 . 2]" 1
323 1 54 LEU H 1 54 LEU HA 2.900 . 2.900 2.357 2.344 2.370 . 0 0 "[ . 1 . 2]" 1
324 1 54 LEU HA 1 55 GLN H 2.900 . 2.900 2.217 2.172 2.243 . 0 0 "[ . 1 . 2]" 1
325 1 54 LEU H 1 54 LEU QB 2.900 . 3.500 3.112 3.065 3.187 . 0 0 "[ . 1 . 2]" 1
326 1 54 LEU QB 1 55 GLN H 3.500 . 4.500 3.740 3.648 3.779 . 0 0 "[ . 1 . 2]" 1
327 1 54 LEU H 1 54 LEU QD 2.900 . 4.600 3.354 3.044 3.597 . 0 0 "[ . 1 . 2]" 1
328 1 54 LEU QD 1 55 GLN H 2.900 . 5.300 3.321 3.192 3.508 . 0 0 "[ . 1 . 2]" 1
329 1 54 LEU H 1 54 LEU HG 2.900 . 2.900 2.887 2.720 2.960 0.060 18 0 "[ . 1 . 2]" 1
330 1 54 LEU H 1 55 GLN H 3.500 . 3.500 3.687 3.668 3.706 0.206 9 0 "[ . 1 . 2]" 1
331 1 55 GLN H 1 55 GLN HA 2.900 . 2.900 2.924 2.915 2.953 0.053 10 0 "[ . 1 . 2]" 1
332 1 55 GLN HA 1 56 TYR H 2.900 . 2.900 2.269 2.186 2.368 . 0 0 "[ . 1 . 2]" 1
333 1 55 GLN H 1 55 GLN QB 2.900 . 3.500 2.260 2.196 2.375 . 0 0 "[ . 1 . 2]" 1
334 1 55 GLN QB 1 56 TYR H 3.500 . 4.500 3.635 2.880 3.959 . 0 0 "[ . 1 . 2]" 1
335 1 55 GLN H 1 55 GLN QG 3.500 . 4.500 3.890 2.359 4.092 . 0 0 "[ . 1 . 2]" 1
336 1 55 GLN QG 1 56 TYR H 2.900 . 3.900 2.613 1.809 3.419 . 0 0 "[ . 1 . 2]" 1
337 1 56 TYR HA 1 57 ASP H 2.900 . 2.900 2.179 2.168 2.184 . 0 0 "[ . 1 . 2]" 1
338 1 56 TYR H 1 56 TYR QB 3.500 . 4.100 2.532 2.375 2.729 . 0 0 "[ . 1 . 2]" 1
339 1 56 TYR QB 1 57 ASP H 5.000 . 6.000 3.476 3.355 3.512 . 0 0 "[ . 1 . 2]" 1
340 1 56 TYR H 1 56 TYR QD 3.500 . 5.500 2.725 2.071 3.308 . 0 0 "[ . 1 . 2]" 1
341 1 56 TYR QD 1 57 ASP H 3.500 . 5.500 4.348 4.169 4.603 . 0 0 "[ . 1 . 2]" 1
342 1 56 TYR H 1 56 TYR QE 5.000 . 7.000 4.788 4.184 5.305 . 0 0 "[ . 1 . 2]" 1
343 1 56 TYR H 1 89 ALA HA 5.000 . 5.000 4.179 3.372 5.001 0.001 10 0 "[ . 1 . 2]" 1
344 1 56 TYR H 1 89 ALA MB 3.500 . 5.000 3.867 3.542 4.022 . 0 0 "[ . 1 . 2]" 1
345 1 57 ASP HA 1 58 LEU H 2.900 . 2.900 2.358 2.204 2.407 . 0 0 "[ . 1 . 2]" 1
346 1 57 ASP HA 1 90 VAL H 3.500 . 3.500 2.281 1.846 2.811 . 0 0 "[ . 1 . 2]" 1
347 1 57 ASP H 1 57 ASP QB 3.500 . 4.100 2.523 2.357 3.004 . 0 0 "[ . 1 . 2]" 1
348 1 57 ASP QB 1 58 LEU H 5.000 . 6.000 3.047 2.698 3.674 . 0 0 "[ . 1 . 2]" 1
349 1 58 LEU HA 1 59 HIS H 2.900 . 2.900 2.239 2.182 2.287 . 0 0 "[ . 1 . 2]" 1
350 1 58 LEU H 1 58 LEU QB 3.500 . 4.100 2.879 2.379 3.286 . 0 0 "[ . 1 . 2]" 1
351 1 58 LEU QD 1 59 HIS H 3.500 . 5.900 3.846 2.767 4.344 . 0 0 "[ . 1 . 2]" 1
352 1 58 LEU H 1 89 ALA MB 3.500 . 5.000 3.624 3.183 3.875 . 0 0 "[ . 1 . 2]" 1
353 1 58 LEU H 1 90 VAL HB 5.000 . 5.000 3.986 3.359 4.609 . 0 0 "[ . 1 . 2]" 1
354 1 58 LEU H 1 90 VAL H 3.500 . 3.500 3.393 3.191 3.511 0.011 1 0 "[ . 1 . 2]" 1
355 1 58 LEU H 1 91 GLN HA 5.000 . 5.000 3.080 2.414 3.523 . 0 0 "[ . 1 . 2]" 1
356 1 58 LEU H 1 92 HIS HD2 3.500 . 3.500 3.493 3.443 3.524 0.024 1 0 "[ . 1 . 2]" 1
357 1 58 LEU H 1 92 HIS H 5.000 . 5.000 4.377 4.200 4.761 . 0 0 "[ . 1 . 2]" 1
358 1 59 HIS HA 1 60 TYR H 2.900 . 2.900 2.231 2.199 2.322 . 0 0 "[ . 1 . 2]" 1
359 1 59 HIS HA 1 92 HIS H 2.900 . 2.900 2.297 1.930 2.901 0.001 9 0 "[ . 1 . 2]" 1
360 1 59 HIS QB 1 60 TYR H 3.500 . 4.500 3.235 2.796 3.549 . 0 0 "[ . 1 . 2]" 1
361 1 59 HIS H 1 59 HIS HD2 3.500 . 3.500 2.605 1.897 3.532 0.032 11 0 "[ . 1 . 2]" 1
362 1 60 TYR HA 1 61 TRP H 2.900 . 2.900 2.190 2.164 2.221 . 0 0 "[ . 1 . 2]" 1
363 1 60 TYR QB 1 61 TRP H 3.500 . 4.500 3.507 3.140 3.907 . 0 0 "[ . 1 . 2]" 1
364 1 60 TYR H 1 60 TYR QD 3.500 . 5.500 3.152 1.881 4.358 . 0 0 "[ . 1 . 2]" 1
365 1 60 TYR QD 1 61 TRP H 5.000 . 7.000 3.541 1.833 4.902 . 0 0 "[ . 1 . 2]" 1
366 1 60 TYR H 1 60 TYR QE 5.000 . 7.000 4.723 3.324 6.345 . 0 0 "[ . 1 . 2]" 1
367 1 60 TYR H 1 78 THR MG 5.000 . 6.500 4.526 3.779 5.191 . 0 0 "[ . 1 . 2]" 1
368 1 60 TYR H 1 92 HIS QB 5.000 . 6.000 4.134 3.235 5.222 . 0 0 "[ . 1 . 2]" 1
369 1 60 TYR H 1 92 HIS H 3.500 . 3.500 3.472 3.211 3.540 0.040 8 0 "[ . 1 . 2]" 1
370 1 60 TYR H 1 93 ARG HA 3.500 . 3.500 3.085 1.884 3.488 . 0 0 "[ . 1 . 2]" 1
371 1 60 TYR H 1 94 GLU H 3.500 . 3.500 3.417 3.196 3.495 . 0 0 "[ . 1 . 2]" 1
372 1 61 TRP HA 1 62 LEU H 2.900 . 2.900 2.195 2.179 2.255 . 0 0 "[ . 1 . 2]" 1
373 1 61 TRP HA 1 94 GLU H 3.500 . 3.500 3.140 2.577 3.480 . 0 0 "[ . 1 . 2]" 1
374 1 61 TRP HE1 1 113 TYR QE 5.000 . 7.000 4.376 3.118 5.425 . 0 0 "[ . 1 . 2]" 1
375 1 61 TRP HE1 1 96 GLN HA 5.000 . 5.000 3.534 2.698 4.127 . 0 0 "[ . 1 . 2]" 1
376 1 61 TRP HE1 1 97 GLY H 5.000 . 5.000 4.832 4.444 4.985 . 0 0 "[ . 1 . 2]" 1
377 1 61 TRP HE1 1 99 GLU QG 5.000 . 6.000 3.142 1.711 5.287 0.089 19 0 "[ . 1 . 2]" 1
378 1 61 TRP HE1 1 99 GLU H 5.000 . 5.000 4.870 4.499 4.981 . 0 0 "[ . 1 . 2]" 1
379 1 61 TRP H 1 74 ALA MB 5.000 . 6.500 5.141 4.656 5.376 . 0 0 "[ . 1 . 2]" 1
380 1 62 LEU HA 1 63 GLY H 2.900 . 2.900 2.399 2.277 2.424 . 0 0 "[ . 1 . 2]" 1
381 1 62 LEU H 1 62 LEU QB 3.500 . 4.100 2.740 2.264 3.223 . 0 0 "[ . 1 . 2]" 1
382 1 62 LEU QB 1 63 GLY H 5.000 . 6.000 2.600 2.505 2.912 . 0 0 "[ . 1 . 2]" 1
383 1 62 LEU H 1 62 LEU QD 3.500 . 5.200 2.748 1.682 3.429 0.118 8 0 "[ . 1 . 2]" 1
384 1 62 LEU QD 1 63 GLY H 3.500 . 5.900 3.628 2.766 4.098 . 0 0 "[ . 1 . 2]" 1
385 1 62 LEU QD 1 71 SER H 5.000 . 7.400 4.515 3.997 5.026 . 0 0 "[ . 1 . 2]" 1
386 1 62 LEU H 1 62 LEU HG 3.500 . 3.500 2.328 1.859 3.274 . 0 0 "[ . 1 . 2]" 1
387 1 62 LEU H 1 94 GLU H 5.000 . 5.000 4.275 3.729 4.577 . 0 0 "[ . 1 . 2]" 1
388 1 62 LEU H 1 95 VAL HA 3.500 . 3.500 2.761 2.539 3.262 . 0 0 "[ . 1 . 2]" 1
389 1 62 LEU H 1 95 VAL QG 5.000 . 7.400 3.147 2.417 4.109 . 0 0 "[ . 1 . 2]" 1
390 1 62 LEU H 1 96 GLN H 5.000 . 5.000 4.651 4.239 4.978 . 0 0 "[ . 1 . 2]" 1
391 1 63 GLY QA 1 64 ASN H 2.900 . 3.900 2.264 2.224 2.291 . 0 0 "[ . 1 . 2]" 1
392 1 63 GLY QA 1 65 GLU H 5.000 . 6.000 2.980 2.906 3.031 . 0 0 "[ . 1 . 2]" 1
393 1 63 GLY H 1 64 ASN H 5.000 . 5.000 4.609 4.559 4.673 . 0 0 "[ . 1 . 2]" 1
394 1 63 GLY H 1 66 CYS QB 3.500 . 4.500 2.726 2.248 3.387 . 0 0 "[ . 1 . 2]" 1
395 1 64 ASN H 1 64 ASN HA 2.900 . 2.900 2.954 2.918 2.966 0.066 9 0 "[ . 1 . 2]" 1
396 1 64 ASN HA 1 65 GLU H 3.500 . 3.500 3.413 3.408 3.418 . 0 0 "[ . 1 . 2]" 1
397 1 64 ASN HA 1 66 CYS H 3.500 . 3.500 3.505 3.439 3.548 0.048 7 0 "[ . 1 . 2]" 1
398 1 64 ASN H 1 64 ASN QB 2.900 . 3.500 2.402 2.108 2.835 . 0 0 "[ . 1 . 2]" 1
399 1 64 ASN QB 1 65 GLU H 3.500 . 4.500 3.315 3.146 3.759 . 0 0 "[ . 1 . 2]" 1
400 1 64 ASN H 1 65 GLU H 2.900 . 2.900 2.452 2.401 2.574 . 0 0 "[ . 1 . 2]" 1
401 1 64 ASN H 1 66 CYS H 5.000 . 5.000 4.370 4.255 4.494 . 0 0 "[ . 1 . 2]" 1
402 1 64 ASN H 1 96 GLN QB 5.000 . 6.000 3.490 2.497 4.325 . 0 0 "[ . 1 . 2]" 1
403 1 64 ASN H 1 96 GLN H 5.000 . 5.000 4.713 3.909 4.987 . 0 0 "[ . 1 . 2]" 1
404 1 65 GLU H 1 65 GLU HA 2.900 . 2.900 3.022 3.015 3.025 0.125 7 0 "[ . 1 . 2]" 1
405 1 65 GLU HA 1 66 CYS H 3.500 . 3.500 2.949 2.878 3.033 . 0 0 "[ . 1 . 2]" 1
406 1 65 GLU H 1 65 GLU QB 2.900 . 3.500 2.869 2.810 2.961 . 0 0 "[ . 1 . 2]" 1
407 1 65 GLU QB 1 66 CYS H 5.000 . 6.000 3.831 3.758 3.897 . 0 0 "[ . 1 . 2]" 1
408 1 65 GLU H 1 65 GLU QG 2.900 . 3.900 2.017 1.917 2.120 . 0 0 "[ . 1 . 2]" 1
409 1 65 GLU QG 1 66 CYS H 3.500 . 4.500 4.085 4.047 4.104 . 0 0 "[ . 1 . 2]" 1
410 1 65 GLU H 1 66 CYS QB 3.500 . 4.500 3.750 3.718 3.815 . 0 0 "[ . 1 . 2]" 1
411 1 65 GLU H 1 66 CYS H 2.900 . 2.900 2.658 2.524 2.780 . 0 0 "[ . 1 . 2]" 1
412 1 66 CYS H 1 66 CYS HA 2.900 . 2.900 3.012 3.007 3.015 0.115 3 0 "[ . 1 . 2]" 1
413 1 66 CYS HA 1 67 SER H 2.900 . 2.900 2.170 2.145 2.180 . 0 0 "[ . 1 . 2]" 1
414 1 66 CYS H 1 66 CYS QB 2.900 . 3.500 2.567 2.457 2.957 . 0 0 "[ . 1 . 2]" 1
415 1 66 CYS QB 1 67 SER H 2.900 . 3.900 3.714 3.688 3.742 . 0 0 "[ . 1 . 2]" 1
416 1 66 CYS H 1 67 SER H 3.500 . 3.500 3.851 3.845 3.864 0.364 2 0 "[ . 1 . 2]" 1
417 1 67 SER H 1 67 SER QB 2.900 . 3.500 2.496 2.137 2.806 . 0 0 "[ . 1 . 2]" 1
418 1 67 SER H 1 70 GLU QB 5.000 . 6.000 3.907 3.068 4.794 . 0 0 "[ . 1 . 2]" 1
419 1 67 SER H 1 70 GLU H 5.000 . 5.000 4.142 3.401 4.409 . 0 0 "[ . 1 . 2]" 1
420 1 68 GLN HA 1 72 GLY H 3.500 . 3.500 3.487 3.401 3.506 0.006 10 0 "[ . 1 . 2]" 1
421 1 68 GLN QB 1 69 ASP H 5.000 . 6.000 3.246 3.047 3.684 . 0 0 "[ . 1 . 2]" 1
422 1 68 GLN QG 1 69 ASP H 5.000 . 6.000 3.749 2.028 4.789 . 0 0 "[ . 1 . 2]" 1
423 1 68 GLN QG 1 72 GLY H 5.000 . 6.000 4.729 3.476 5.334 . 0 0 "[ . 1 . 2]" 1
424 1 69 ASP HA 1 70 GLU H 3.500 . 3.500 3.603 3.599 3.605 0.105 9 0 "[ . 1 . 2]" 1
425 1 69 ASP HA 1 72 GLY H 3.500 . 3.500 3.511 3.497 3.525 0.025 19 0 "[ . 1 . 2]" 1
426 1 69 ASP H 1 69 ASP QB 3.500 . 4.100 2.365 2.201 2.787 . 0 0 "[ . 1 . 2]" 1
427 1 69 ASP QB 1 70 GLU H 2.900 . 3.900 2.208 2.111 2.876 . 0 0 "[ . 1 . 2]" 1
428 1 69 ASP QB 1 71 SER H 5.000 . 6.000 4.516 4.375 5.082 . 0 0 "[ . 1 . 2]" 1
429 1 69 ASP H 1 70 GLU H 3.500 . 3.500 2.864 2.834 2.902 . 0 0 "[ . 1 . 2]" 1
430 1 70 GLU H 1 70 GLU HA 2.900 . 2.900 2.898 2.883 2.915 0.015 8 0 "[ . 1 . 2]" 1
431 1 70 GLU HA 1 71 SER H 3.500 . 3.500 3.582 3.565 3.598 0.098 20 0 "[ . 1 . 2]" 1
432 1 70 GLU HA 1 73 ALA H 3.500 . 3.500 3.481 3.415 3.507 0.007 4 0 "[ . 1 . 2]" 1
433 1 70 GLU H 1 70 GLU QB 3.500 . 4.100 2.305 2.087 2.958 . 0 0 "[ . 1 . 2]" 1
434 1 70 GLU QB 1 71 SER H 3.500 . 4.500 2.504 2.344 2.697 . 0 0 "[ . 1 . 2]" 1
435 1 70 GLU H 1 70 GLU QG 3.500 . 4.500 2.954 1.678 4.087 0.122 10 0 "[ . 1 . 2]" 1
436 1 70 GLU QG 1 71 SER H 5.000 . 6.000 4.099 2.665 4.419 . 0 0 "[ . 1 . 2]" 1
437 1 70 GLU H 1 71 SER QB 5.000 . 6.000 4.734 4.330 5.300 . 0 0 "[ . 1 . 2]" 1
438 1 70 GLU H 1 71 SER H 2.900 . 2.900 2.697 2.584 2.823 . 0 0 "[ . 1 . 2]" 1
439 1 71 SER H 1 71 SER HA 2.900 . 2.900 2.911 2.896 2.937 0.037 7 0 "[ . 1 . 2]" 1
440 1 71 SER HA 1 72 GLY H 3.500 . 3.500 3.502 3.476 3.551 0.051 18 0 "[ . 1 . 2]" 1
441 1 71 SER HA 1 74 ALA H 3.500 . 3.500 3.453 3.341 3.490 . 0 0 "[ . 1 . 2]" 1
442 1 71 SER HA 1 75 ALA H 5.000 . 5.000 3.820 3.657 4.154 . 0 0 "[ . 1 . 2]" 1
443 1 71 SER H 1 71 SER QB 2.900 . 3.500 2.453 2.113 2.909 . 0 0 "[ . 1 . 2]" 1
444 1 71 SER QB 1 72 GLY H 2.900 . 3.900 3.090 2.709 3.537 . 0 0 "[ . 1 . 2]" 1
445 1 71 SER H 1 72 GLY H 2.900 . 2.900 2.553 2.470 2.608 . 0 0 "[ . 1 . 2]" 1
446 1 71 SER H 1 73 ALA H 5.000 . 5.000 4.341 4.147 4.486 . 0 0 "[ . 1 . 2]" 1
447 1 72 GLY QA 1 73 ALA H 3.500 . 4.500 2.729 2.674 2.817 . 0 0 "[ . 1 . 2]" 1
448 1 72 GLY QA 1 75 ALA H 5.000 . 6.000 3.494 3.315 3.725 . 0 0 "[ . 1 . 2]" 1
449 1 72 GLY H 1 73 ALA H 2.900 . 2.900 2.594 2.483 2.720 . 0 0 "[ . 1 . 2]" 1
450 1 73 ALA H 1 73 ALA HA 2.900 . 2.900 2.907 2.877 2.941 0.041 7 0 "[ . 1 . 2]" 1
451 1 73 ALA HA 1 74 ALA H 3.500 . 3.500 3.583 3.552 3.597 0.097 16 0 "[ . 1 . 2]" 1
452 1 73 ALA HA 1 76 ILE H 3.500 . 3.500 3.480 3.416 3.504 0.004 12 0 "[ . 1 . 2]" 1
453 1 73 ALA H 1 73 ALA MB 2.900 . 4.000 2.255 2.118 2.270 . 0 0 "[ . 1 . 2]" 1
454 1 73 ALA H 1 74 ALA H 2.900 . 2.900 2.668 2.555 2.785 . 0 0 "[ . 1 . 2]" 1
455 1 74 ALA H 1 74 ALA HA 2.900 . 2.900 2.881 2.853 2.906 0.006 10 0 "[ . 1 . 2]" 1
456 1 74 ALA HA 1 75 ALA H 5.000 . 5.000 3.587 3.543 3.606 . 0 0 "[ . 1 . 2]" 1
457 1 74 ALA HA 1 77 PHE H 5.000 . 5.000 3.573 3.360 3.749 . 0 0 "[ . 1 . 2]" 1
458 1 74 ALA H 1 74 ALA MB 2.900 . 4.000 2.187 2.038 2.260 . 0 0 "[ . 1 . 2]" 1
459 1 74 ALA H 1 75 ALA H 2.900 . 2.900 2.754 2.625 2.916 0.016 4 0 "[ . 1 . 2]" 1
460 1 75 ALA H 1 75 ALA HA 2.900 . 2.900 2.881 2.818 2.928 0.028 19 0 "[ . 1 . 2]" 1
461 1 75 ALA HA 1 76 ILE H 5.000 . 5.000 3.591 3.558 3.607 . 0 0 "[ . 1 . 2]" 1
462 1 75 ALA HA 1 78 THR H 3.500 . 3.500 3.252 3.100 3.416 . 0 0 "[ . 1 . 2]" 1
463 1 75 ALA H 1 75 ALA MB 2.900 . 4.000 2.252 2.224 2.265 . 0 0 "[ . 1 . 2]" 1
464 1 75 ALA MB 1 76 ILE H 2.900 . 4.400 2.429 2.325 2.641 . 0 0 "[ . 1 . 2]" 1
465 1 75 ALA MB 1 77 PHE H 5.000 . 6.500 4.560 4.352 4.834 . 0 0 "[ . 1 . 2]" 1
466 1 75 ALA H 1 76 ILE H 2.900 . 2.900 2.756 2.598 2.909 0.009 4 0 "[ . 1 . 2]" 1
467 1 76 ILE H 1 76 ILE HA 2.900 . 2.900 2.844 2.814 2.881 . 0 0 "[ . 1 . 2]" 1
468 1 76 ILE HA 1 79 VAL H 3.500 . 3.500 3.405 3.192 3.491 . 0 0 "[ . 1 . 2]" 1
469 1 76 ILE HA 1 80 GLN H 5.000 . 5.000 4.220 3.998 4.384 . 0 0 "[ . 1 . 2]" 1
470 1 76 ILE H 1 76 ILE HB 2.900 . 2.900 2.401 2.300 2.449 . 0 0 "[ . 1 . 2]" 1
471 1 76 ILE HB 1 77 PHE H 2.900 . 2.900 2.550 2.396 2.718 . 0 0 "[ . 1 . 2]" 1
472 1 76 ILE H 1 76 ILE MD 3.500 . 5.000 3.451 3.230 3.539 . 0 0 "[ . 1 . 2]" 1
473 1 76 ILE H 1 76 ILE HG13 3.500 . 3.500 2.344 2.241 2.575 . 0 0 "[ . 1 . 2]" 1
474 1 76 ILE H 1 76 ILE MG 2.900 . 4.400 3.764 3.725 3.778 . 0 0 "[ . 1 . 2]" 1
475 1 76 ILE MG 1 77 PHE H 3.500 . 5.000 3.029 2.696 3.305 . 0 0 "[ . 1 . 2]" 1
476 1 76 ILE H 1 77 PHE H 2.900 . 2.900 2.872 2.774 2.918 0.018 9 0 "[ . 1 . 2]" 1
477 1 77 PHE HA 1 78 THR H 5.000 . 5.000 3.570 3.542 3.610 . 0 0 "[ . 1 . 2]" 1
478 1 77 PHE HA 1 80 GLN H 3.500 . 3.500 3.459 3.288 3.527 0.027 20 0 "[ . 1 . 2]" 1
479 1 77 PHE HA 1 81 LEU H 5.000 . 5.000 4.164 3.737 4.461 . 0 0 "[ . 1 . 2]" 1
480 1 77 PHE H 1 77 PHE QB 3.500 . 4.100 2.286 2.058 2.783 . 0 0 "[ . 1 . 2]" 1
481 1 77 PHE QB 1 78 THR H 5.000 . 6.000 2.672 2.476 2.809 . 0 0 "[ . 1 . 2]" 1
482 1 77 PHE H 1 78 THR H 2.900 . 2.900 2.699 2.568 2.820 . 0 0 "[ . 1 . 2]" 1
483 1 78 THR HA 1 79 VAL H 5.000 . 5.000 3.567 3.487 3.600 . 0 0 "[ . 1 . 2]" 1
484 1 78 THR HA 1 81 LEU H 5.000 . 5.000 3.528 3.195 3.863 . 0 0 "[ . 1 . 2]" 1
485 1 78 THR H 1 78 THR HB 2.900 . 2.900 2.664 2.322 2.954 0.054 13 0 "[ . 1 . 2]" 1
486 1 78 THR H 1 78 THR MG 2.900 . 4.400 3.747 3.652 3.785 . 0 0 "[ . 1 . 2]" 1
487 1 78 THR MG 1 79 VAL H 3.500 . 5.000 3.654 3.247 4.040 . 0 0 "[ . 1 . 2]" 1
488 1 78 THR H 1 79 VAL QG 3.500 . 5.900 3.910 3.757 4.112 . 0 0 "[ . 1 . 2]" 1
489 1 78 THR H 1 79 VAL H 2.900 . 2.900 2.632 2.483 2.894 . 0 0 "[ . 1 . 2]" 1
490 1 79 VAL H 1 79 VAL HA 2.900 . 2.900 2.890 2.833 2.934 0.034 9 0 "[ . 1 . 2]" 1
491 1 79 VAL HA 1 80 GLN H 3.500 . 3.500 3.563 3.512 3.599 0.099 20 0 "[ . 1 . 2]" 1
492 1 79 VAL HA 1 82 ASP H 3.500 . 3.500 3.487 3.447 3.508 0.008 6 0 "[ . 1 . 2]" 1
493 1 79 VAL H 1 79 VAL HB 2.900 . 2.900 2.569 2.355 2.916 0.016 13 0 "[ . 1 . 2]" 1
494 1 79 VAL HB 1 80 GLN H 2.900 . 2.900 2.645 2.406 2.912 0.012 18 0 "[ . 1 . 2]" 1
495 1 79 VAL H 1 79 VAL QG 2.900 . 4.600 2.026 1.677 2.390 0.123 12 0 "[ . 1 . 2]" 1
496 1 79 VAL QG 1 80 GLN H 2.900 . 5.300 3.225 2.943 3.402 . 0 0 "[ . 1 . 2]" 1
497 1 79 VAL QG 1 83 ASP H 5.000 . 7.400 3.810 3.541 4.009 . 0 0 "[ . 1 . 2]" 1
498 1 79 VAL H 1 80 GLN H 2.900 . 2.900 2.673 2.563 2.825 . 0 0 "[ . 1 . 2]" 1
499 1 80 GLN H 1 80 GLN HA 2.900 . 2.900 2.900 2.880 2.924 0.024 18 0 "[ . 1 . 2]" 1
500 1 80 GLN HA 1 81 LEU H 5.000 . 5.000 3.601 3.555 3.618 . 0 0 "[ . 1 . 2]" 1
501 1 80 GLN HA 1 83 ASP H 3.500 . 3.500 3.496 3.464 3.518 0.018 6 0 "[ . 1 . 2]" 1
502 1 80 GLN H 1 80 GLN QB 3.500 . 4.100 2.321 2.060 2.583 . 0 0 "[ . 1 . 2]" 1
503 1 80 GLN QB 1 81 LEU H 5.000 . 6.000 2.448 2.176 3.442 . 0 0 "[ . 1 . 2]" 1
504 1 80 GLN H 1 80 GLN QG 2.900 . 3.900 2.560 1.866 3.557 . 0 0 "[ . 1 . 2]" 1
505 1 80 GLN H 1 81 LEU H 2.900 . 2.900 2.762 2.597 2.907 0.007 3 0 "[ . 1 . 2]" 1
506 1 81 LEU HA 1 82 ASP H 5.000 . 5.000 3.561 3.494 3.595 . 0 0 "[ . 1 . 2]" 1
507 1 81 LEU HA 1 84 TYR H 3.500 . 3.500 3.461 3.274 3.500 . 0 0 "[ . 1 . 2]" 1
508 1 81 LEU H 1 81 LEU QB 2.900 . 3.500 2.172 2.057 2.349 . 0 0 "[ . 1 . 2]" 1
509 1 81 LEU QB 1 82 ASP H 3.500 . 4.500 2.947 2.498 3.602 . 0 0 "[ . 1 . 2]" 1
510 1 81 LEU H 1 81 LEU HG 3.500 . 3.500 3.053 2.411 3.521 0.021 8 0 "[ . 1 . 2]" 1
511 1 81 LEU H 1 82 ASP H 2.900 . 2.900 2.781 2.659 2.884 . 0 0 "[ . 1 . 2]" 1
512 1 82 ASP H 1 82 ASP HA 2.900 . 2.900 2.890 2.861 2.930 0.030 15 0 "[ . 1 . 2]" 1
513 1 82 ASP HA 1 83 ASP H 5.000 . 5.000 3.617 3.613 3.620 . 0 0 "[ . 1 . 2]" 1
514 1 82 ASP HA 1 85 LEU H 2.900 . 2.900 2.927 2.904 2.957 0.057 6 0 "[ . 1 . 2]" 1
515 1 82 ASP H 1 82 ASP QB 2.900 . 3.500 2.288 2.210 2.561 . 0 0 "[ . 1 . 2]" 1
516 1 82 ASP QB 1 83 ASP H 2.900 . 3.900 2.219 2.081 2.344 . 0 0 "[ . 1 . 2]" 1
517 1 83 ASP H 1 83 ASP HA 2.900 . 2.900 2.816 2.803 2.857 . 0 0 "[ . 1 . 2]" 1
518 1 83 ASP HA 1 84 TYR H 3.500 . 3.500 3.541 3.521 3.558 0.058 13 0 "[ . 1 . 2]" 1
519 1 83 ASP HA 1 86 ASN H 3.500 . 3.500 3.531 3.507 3.569 0.069 6 0 "[ . 1 . 2]" 1
520 1 83 ASP H 1 83 ASP QB 2.900 . 3.500 2.343 2.158 2.580 . 0 0 "[ . 1 . 2]" 1
521 1 83 ASP QB 1 84 TYR H 3.500 . 4.500 2.747 2.597 3.435 . 0 0 "[ . 1 . 2]" 1
522 1 83 ASP H 1 84 TYR H 3.500 . 3.500 2.812 2.708 2.869 . 0 0 "[ . 1 . 2]" 1
523 1 84 TYR H 1 84 TYR HA 2.900 . 2.900 2.941 2.916 2.953 0.053 20 0 "[ . 1 . 2]" 1
524 1 84 TYR HA 1 85 LEU H 3.500 . 3.500 3.529 3.500 3.548 0.048 18 0 "[ . 1 . 2]" 1
525 1 84 TYR HA 1 86 ASN H 5.000 . 5.000 3.979 3.736 4.138 . 0 0 "[ . 1 . 2]" 1
526 1 84 TYR H 1 84 TYR QB 2.900 . 3.500 2.224 2.093 2.298 . 0 0 "[ . 1 . 2]" 1
527 1 84 TYR QB 1 85 LEU H 3.500 . 4.500 2.851 2.736 3.005 . 0 0 "[ . 1 . 2]" 1
528 1 84 TYR H 1 84 TYR QD 3.500 . 5.500 4.134 3.796 4.223 . 0 0 "[ . 1 . 2]" 1
529 1 84 TYR H 1 85 LEU H 2.900 . 2.900 2.441 2.381 2.531 . 0 0 "[ . 1 . 2]" 1
530 1 85 LEU H 1 85 LEU HA 2.900 . 2.900 3.025 3.017 3.028 0.128 3 0 "[ . 1 . 2]" 1
531 1 85 LEU HA 1 86 ASN H 2.900 . 2.900 2.966 2.911 3.032 0.132 2 0 "[ . 1 . 2]" 1
532 1 85 LEU H 1 85 LEU QB 3.500 . 4.100 2.486 2.260 2.667 . 0 0 "[ . 1 . 2]" 1
533 1 85 LEU H 1 85 LEU QD 3.500 . 5.200 3.532 2.844 3.912 . 0 0 "[ . 1 . 2]" 1
534 1 85 LEU H 1 87 GLY H 5.000 . 5.000 4.111 3.056 4.838 . 0 0 "[ . 1 . 2]" 1
535 1 86 ASN H 1 86 ASN HA 2.900 . 2.900 2.722 2.373 2.981 0.081 15 0 "[ . 1 . 2]" 1
536 1 86 ASN HA 1 87 GLY H 2.900 . 2.900 2.959 2.881 3.010 0.110 8 0 "[ . 1 . 2]" 1
537 1 86 ASN H 1 86 ASN QB 2.900 . 3.500 2.631 2.118 3.097 . 0 0 "[ . 1 . 2]" 1
538 1 86 ASN H 1 87 GLY H 2.900 . 2.900 2.948 2.866 2.997 0.097 6 0 "[ . 1 . 2]" 1
539 1 87 GLY QA 1 88 ARG H 3.500 . 4.500 2.658 2.313 2.890 . 0 0 "[ . 1 . 2]" 1
540 1 87 GLY H 1 88 ARG H 3.500 . 3.500 2.780 2.011 3.567 0.067 7 0 "[ . 1 . 2]" 1
541 1 88 ARG H 1 88 ARG HA 2.900 . 2.900 2.901 2.359 3.010 0.110 18 0 "[ . 1 . 2]" 1
542 1 88 ARG HA 1 89 ALA H 2.900 . 2.900 2.835 2.527 2.967 0.067 13 0 "[ . 1 . 2]" 1
543 1 88 ARG H 1 88 ARG QB 3.500 . 4.100 2.849 2.260 3.436 . 0 0 "[ . 1 . 2]" 1
544 1 88 ARG QB 1 89 ALA H 5.000 . 6.000 3.927 3.776 4.077 . 0 0 "[ . 1 . 2]" 1
545 1 88 ARG H 1 88 ARG QG 3.500 . 4.500 3.376 2.095 4.157 . 0 0 "[ . 1 . 2]" 1
546 1 88 ARG QG 1 89 ALA H 5.000 . 6.000 4.250 3.492 4.664 . 0 0 "[ . 1 . 2]" 1
547 1 88 ARG H 1 89 ALA H 2.900 . 2.900 2.552 1.938 2.950 0.050 13 0 "[ . 1 . 2]" 1
548 1 89 ALA HA 1 90 VAL H 2.900 . 2.900 2.555 2.371 2.624 . 0 0 "[ . 1 . 2]" 1
549 1 89 ALA H 1 89 ALA MB 2.900 . 4.000 2.447 2.187 2.697 . 0 0 "[ . 1 . 2]" 1
550 1 89 ALA MB 1 90 VAL H 2.900 . 4.400 2.206 2.089 2.579 . 0 0 "[ . 1 . 2]" 1
551 1 89 ALA H 1 90 VAL H 5.000 . 5.000 4.523 4.437 4.635 . 0 0 "[ . 1 . 2]" 1
552 1 90 VAL HA 1 91 GLN H 2.900 . 2.900 2.255 2.180 2.467 . 0 0 "[ . 1 . 2]" 1
553 1 90 VAL H 1 90 VAL HB 2.900 . 2.900 2.691 2.387 2.849 . 0 0 "[ . 1 . 2]" 1
554 1 90 VAL HB 1 91 GLN H 5.000 . 5.000 4.186 3.584 4.549 . 0 0 "[ . 1 . 2]" 1
555 1 90 VAL H 1 90 VAL QG 2.900 . 4.600 2.564 2.156 2.973 . 0 0 "[ . 1 . 2]" 1
556 1 90 VAL QG 1 91 GLN H 2.900 . 5.300 2.737 1.647 3.372 0.153 10 0 "[ . 1 . 2]" 1
557 1 90 VAL H 1 91 GLN H 5.000 . 5.000 4.302 3.860 4.632 . 0 0 "[ . 1 . 2]" 1
558 1 91 GLN HA 1 92 HIS H 2.900 . 2.900 2.244 2.188 2.377 . 0 0 "[ . 1 . 2]" 1
559 1 91 GLN H 1 91 GLN QB 2.900 . 3.500 2.793 2.232 3.075 . 0 0 "[ . 1 . 2]" 1
560 1 91 GLN QB 1 92 HIS H 3.500 . 4.500 3.138 2.602 3.703 . 0 0 "[ . 1 . 2]" 1
561 1 91 GLN H 1 91 GLN QG 3.500 . 4.500 2.273 1.682 4.054 0.118 15 0 "[ . 1 . 2]" 1
562 1 91 GLN QG 1 92 HIS H 5.000 . 6.000 4.256 2.536 4.823 . 0 0 "[ . 1 . 2]" 1
563 1 91 GLN H 1 92 HIS H 5.000 . 5.000 4.562 4.452 4.667 . 0 0 "[ . 1 . 2]" 1
564 1 92 HIS HA 1 93 ARG H 2.900 . 2.900 2.235 2.173 2.400 . 0 0 "[ . 1 . 2]" 1
565 1 92 HIS H 1 92 HIS QB 3.500 . 4.100 2.814 2.419 3.331 . 0 0 "[ . 1 . 2]" 1
566 1 92 HIS QB 1 93 ARG H 5.000 . 6.000 3.212 2.506 3.629 . 0 0 "[ . 1 . 2]" 1
567 1 92 HIS H 1 92 HIS HD2 3.500 . 3.500 2.584 1.904 3.495 . 0 0 "[ . 1 . 2]" 1
568 1 92 HIS HE1 1 103 PHE H 5.000 . 5.000 4.987 4.825 5.013 0.013 1 0 "[ . 1 . 2]" 1
569 1 93 ARG HA 1 94 GLU H 2.900 . 2.900 2.223 2.181 2.286 . 0 0 "[ . 1 . 2]" 1
570 1 93 ARG QB 1 94 GLU H 3.500 . 4.500 3.591 3.027 4.028 . 0 0 "[ . 1 . 2]" 1
571 1 93 ARG QG 1 94 GLU H 5.000 . 6.000 4.121 2.752 4.765 . 0 0 "[ . 1 . 2]" 1
572 1 94 GLU HA 1 95 VAL H 2.900 . 2.900 2.259 2.182 2.411 . 0 0 "[ . 1 . 2]" 1
573 1 94 GLU H 1 94 GLU QG 3.500 . 4.500 2.746 2.019 3.711 . 0 0 "[ . 1 . 2]" 1
574 1 94 GLU H 1 95 VAL H 5.000 . 5.000 4.562 4.439 4.667 . 0 0 "[ . 1 . 2]" 1
575 1 95 VAL H 1 95 VAL HA 2.900 . 2.900 3.011 2.983 3.028 0.128 1 0 "[ . 1 . 2]" 1
576 1 95 VAL HA 1 96 GLN H 2.900 . 2.900 2.455 2.360 2.576 . 0 0 "[ . 1 . 2]" 1
577 1 95 VAL H 1 95 VAL HB 2.900 . 2.900 2.862 2.542 2.934 0.034 16 0 "[ . 1 . 2]" 1
578 1 95 VAL HB 1 96 GLN H 3.500 . 3.500 3.458 3.306 3.524 0.024 7 0 "[ . 1 . 2]" 1
579 1 95 VAL H 1 95 VAL QG 2.900 . 4.600 2.631 2.221 2.960 . 0 0 "[ . 1 . 2]" 1
580 1 95 VAL QG 1 96 GLN H 3.500 . 5.900 1.813 1.561 2.032 0.239 6 0 "[ . 1 . 2]" 1
581 1 95 VAL QG 1 98 PHE H 5.000 . 7.400 4.184 3.761 4.969 . 0 0 "[ . 1 . 2]" 1
582 1 95 VAL H 1 96 GLN H 5.000 . 5.000 4.508 4.447 4.644 . 0 0 "[ . 1 . 2]" 1
583 1 95 VAL H 1 99 GLU HA 3.500 . 3.500 3.128 2.514 3.493 . 0 0 "[ . 1 . 2]" 1
584 1 96 GLN HA 1 97 GLY H 2.900 . 2.900 2.203 2.182 2.273 . 0 0 "[ . 1 . 2]" 1
585 1 96 GLN HA 1 98 PHE H 3.500 . 3.500 3.415 3.149 3.500 . 0 0 "[ . 1 . 2]" 1
586 1 96 GLN H 1 96 GLN QB 3.500 . 4.100 2.328 2.114 2.994 . 0 0 "[ . 1 . 2]" 1
587 1 96 GLN QB 1 97 GLY H 5.000 . 6.000 3.693 2.959 3.913 . 0 0 "[ . 1 . 2]" 1
588 1 96 GLN QG 1 97 GLY H 5.000 . 6.000 3.202 2.254 4.859 . 0 0 "[ . 1 . 2]" 1
589 1 96 GLN H 1 97 GLY H 5.000 . 5.000 4.585 4.517 4.709 . 0 0 "[ . 1 . 2]" 1
590 1 97 GLY QA 1 98 PHE H 3.500 . 4.500 2.927 2.854 2.948 . 0 0 "[ . 1 . 2]" 1
591 1 97 GLY H 1 98 PHE H 2.900 . 2.900 2.448 1.924 2.924 0.024 3 0 "[ . 1 . 2]" 1
592 1 97 GLY H 1 99 GLU H 3.500 . 3.500 3.403 3.079 3.488 . 0 0 "[ . 1 . 2]" 1
593 1 98 PHE HA 1 99 GLU H 3.500 . 3.500 3.171 2.951 3.560 0.060 14 0 "[ . 1 . 2]" 1
594 1 98 PHE H 1 98 PHE QB 3.500 . 4.100 2.694 2.429 2.939 . 0 0 "[ . 1 . 2]" 1
595 1 98 PHE H 1 98 PHE QD 3.500 . 5.500 4.183 3.133 4.494 . 0 0 "[ . 1 . 2]" 1
596 1 98 PHE H 1 99 GLU H 2.900 . 2.900 2.028 1.761 2.327 0.039 5 0 "[ . 1 . 2]" 1
597 1 99 GLU HA 1 100 SER H 2.900 . 2.900 2.438 2.187 2.919 0.019 9 0 "[ . 1 . 2]" 1
598 1 99 GLU QB 1 100 SER H 5.000 . 6.000 2.569 1.714 3.343 0.086 14 0 "[ . 1 . 2]" 1
599 1 99 GLU H 1 99 GLU QB 3.500 . 4.100 2.729 2.289 3.370 . 0 0 "[ . 1 . 2]" 1
600 1 99 GLU QG 1 100 SER H 5.000 . 6.000 3.990 3.375 4.594 . 0 0 "[ . 1 . 2]" 1
601 1 99 GLU H 1 100 SER H 5.000 . 5.000 4.707 4.589 4.741 . 0 0 "[ . 1 . 2]" 1
602 1 99 GLU H 1 104 LEU QD 5.000 . 7.400 4.236 3.578 5.332 . 0 0 "[ . 1 . 2]" 1
603 1 100 SER HA 1 101 ALA H 2.900 . 2.900 2.462 2.215 2.649 . 0 0 "[ . 1 . 2]" 1
604 1 100 SER H 1 100 SER QB 3.500 . 4.100 2.430 2.113 2.968 . 0 0 "[ . 1 . 2]" 1
605 1 100 SER QB 1 101 ALA H 3.500 . 4.500 2.832 2.032 3.591 . 0 0 "[ . 1 . 2]" 1
606 1 100 SER H 1 101 ALA H 5.000 . 5.000 4.623 4.413 4.708 . 0 0 "[ . 1 . 2]" 1
607 1 100 SER H 1 103 PHE QD 5.000 . 7.000 4.278 3.618 4.958 . 0 0 "[ . 1 . 2]" 1
608 1 100 SER H 1 103 PHE H 5.000 . 5.000 4.142 3.176 4.602 . 0 0 "[ . 1 . 2]" 1
609 1 101 ALA H 1 101 ALA HA 2.900 . 2.900 2.903 2.801 2.949 0.049 16 0 "[ . 1 . 2]" 1
610 1 101 ALA HA 1 104 LEU H 3.500 . 3.500 3.416 3.145 3.499 . 0 0 "[ . 1 . 2]" 1
611 1 101 ALA HA 1 105 GLY H 5.000 . 5.000 4.189 3.739 4.469 . 0 0 "[ . 1 . 2]" 1
612 1 101 ALA H 1 101 ALA MB 2.900 . 4.000 2.263 2.257 2.272 . 0 0 "[ . 1 . 2]" 1
613 1 101 ALA MB 1 102 THR H 3.500 . 5.000 2.315 2.023 2.800 . 0 0 "[ . 1 . 2]" 1
614 1 101 ALA H 1 102 THR H 3.500 . 3.500 2.772 2.590 2.956 . 0 0 "[ . 1 . 2]" 1
615 1 102 THR HA 1 103 PHE H 3.500 . 3.500 3.578 3.519 3.602 0.102 17 0 "[ . 1 . 2]" 1
616 1 102 THR HA 1 105 GLY H 5.000 . 5.000 3.523 3.269 3.801 . 0 0 "[ . 1 . 2]" 1
617 1 102 THR H 1 102 THR HB 3.500 . 3.500 2.628 2.453 2.927 . 0 0 "[ . 1 . 2]" 1
618 1 102 THR HB 1 103 PHE H 2.900 . 2.900 2.487 2.098 2.903 0.003 20 0 "[ . 1 . 2]" 1
619 1 102 THR MG 1 103 PHE H 3.500 . 5.000 3.379 2.861 3.830 . 0 0 "[ . 1 . 2]" 1
620 1 102 THR H 1 103 PHE H 3.500 . 3.500 2.882 2.570 3.081 . 0 0 "[ . 1 . 2]" 1
621 1 103 PHE HA 1 104 LEU H 5.000 . 5.000 3.600 3.582 3.618 . 0 0 "[ . 1 . 2]" 1
622 1 103 PHE HA 1 106 TYR H 5.000 . 5.000 3.106 2.752 3.462 . 0 0 "[ . 1 . 2]" 1
623 1 103 PHE H 1 103 PHE QB 3.500 . 4.100 2.160 2.070 2.293 . 0 0 "[ . 1 . 2]" 1
624 1 103 PHE H 1 103 PHE QD 5.000 . 7.000 3.599 2.001 4.221 . 0 0 "[ . 1 . 2]" 1
625 1 103 PHE QD 1 104 LEU H 5.000 . 7.000 4.117 3.349 4.501 . 0 0 "[ . 1 . 2]" 1
626 1 103 PHE H 1 104 LEU H 2.900 . 2.900 2.758 2.535 2.909 0.009 6 0 "[ . 1 . 2]" 1
627 1 104 LEU H 1 104 LEU HA 2.900 . 2.900 2.872 2.798 2.920 0.020 14 0 "[ . 1 . 2]" 1
628 1 104 LEU HA 1 105 GLY H 3.500 . 3.500 3.503 3.438 3.550 0.050 11 0 "[ . 1 . 2]" 1
629 1 104 LEU HA 1 106 TYR H 5.000 . 5.000 4.242 3.981 4.643 . 0 0 "[ . 1 . 2]" 1
630 1 104 LEU HA 1 107 PHE H 5.000 . 5.000 3.761 3.426 4.103 . 0 0 "[ . 1 . 2]" 1
631 1 104 LEU H 1 104 LEU QB 3.500 . 4.100 2.291 2.189 2.563 . 0 0 "[ . 1 . 2]" 1
632 1 104 LEU QB 1 105 GLY H 3.500 . 4.500 2.963 2.777 3.631 . 0 0 "[ . 1 . 2]" 1
633 1 104 LEU H 1 104 LEU QD 2.900 . 4.600 3.122 2.888 3.345 . 0 0 "[ . 1 . 2]" 1
634 1 104 LEU QD 1 105 GLY H 5.000 . 7.400 4.202 3.076 4.347 . 0 0 "[ . 1 . 2]" 1
635 1 104 LEU H 1 104 LEU HG 2.900 . 2.900 2.620 1.930 2.911 0.011 14 0 "[ . 1 . 2]" 1
636 1 104 LEU HG 1 105 GLY H 5.000 . 5.000 4.555 2.166 4.838 . 0 0 "[ . 1 . 2]" 1
637 1 104 LEU H 1 105 GLY H 2.900 . 2.900 2.680 2.545 2.857 . 0 0 "[ . 1 . 2]" 1
638 1 104 LEU H 1 106 TYR H 5.000 . 5.000 4.051 3.883 4.344 . 0 0 "[ . 1 . 2]" 1
639 1 105 GLY QA 1 106 TYR H 3.500 . 4.500 2.867 2.752 2.930 . 0 0 "[ . 1 . 2]" 1
640 1 105 GLY H 1 106 TYR H 2.900 . 2.900 2.268 2.051 2.570 . 0 0 "[ . 1 . 2]" 1
641 1 105 GLY H 1 107 PHE H 5.000 . 5.000 3.968 3.563 4.473 . 0 0 "[ . 1 . 2]" 1
642 1 106 TYR H 1 106 TYR HA 2.900 . 2.900 2.949 2.838 2.979 0.079 12 0 "[ . 1 . 2]" 1
643 1 106 TYR HA 1 107 PHE H 3.500 . 3.500 3.528 3.369 3.597 0.097 18 0 "[ . 1 . 2]" 1
644 1 106 TYR H 1 106 TYR QB 3.500 . 4.100 2.238 2.104 2.336 . 0 0 "[ . 1 . 2]" 1
645 1 106 TYR QB 1 107 PHE H 5.000 . 6.000 2.769 2.218 3.289 . 0 0 "[ . 1 . 2]" 1
646 1 106 TYR H 1 106 TYR QD 3.500 . 5.500 3.792 2.213 4.248 . 0 0 "[ . 1 . 2]" 1
647 1 106 TYR QD 1 107 PHE H 5.000 . 7.000 4.240 3.601 4.723 . 0 0 "[ . 1 . 2]" 1
648 1 106 TYR H 1 106 TYR QE 5.000 . 7.000 5.895 4.508 6.284 . 0 0 "[ . 1 . 2]" 1
649 1 106 TYR H 1 107 PHE QD 3.500 . 5.500 4.076 3.278 5.248 . 0 0 "[ . 1 . 2]" 1
650 1 106 TYR H 1 111 LEU QD 5.000 . 7.400 5.074 4.551 5.450 . 0 0 "[ . 1 . 2]" 1
651 1 107 PHE H 1 107 PHE HA 2.900 . 2.900 2.933 2.778 3.013 0.113 20 0 "[ . 1 . 2]" 1
652 1 107 PHE H 1 107 PHE QB 2.900 . 3.500 2.494 2.225 2.951 . 0 0 "[ . 1 . 2]" 1
653 1 107 PHE QB 1 110 GLY H 5.000 . 6.000 3.318 2.449 4.263 . 0 0 "[ . 1 . 2]" 1
654 1 107 PHE H 1 107 PHE QD 3.500 . 5.500 2.594 1.742 3.614 0.058 5 0 "[ . 1 . 2]" 1
655 1 107 PHE H 1 111 LEU QD 5.000 . 7.400 3.713 3.082 4.195 . 0 0 "[ . 1 . 2]" 1
656 1 109 SER HA 1 110 GLY H 3.500 . 3.500 3.353 3.065 3.528 0.028 6 0 "[ . 1 . 2]" 1
657 1 109 SER QB 1 110 GLY H 3.500 . 4.500 3.387 2.803 3.783 . 0 0 "[ . 1 . 2]" 1
658 1 110 GLY QA 1 111 LEU H 2.900 . 3.900 2.441 2.166 2.930 . 0 0 "[ . 1 . 2]" 1
659 1 110 GLY H 1 111 LEU H 3.500 . 3.500 2.988 1.800 3.521 0.021 4 0 "[ . 1 . 2]" 1
660 1 111 LEU H 1 111 LEU HA 2.900 . 2.900 2.869 2.381 3.027 0.127 6 0 "[ . 1 . 2]" 1
661 1 111 LEU HA 1 112 LYS H 2.900 . 2.900 2.414 2.180 2.680 . 0 0 "[ . 1 . 2]" 1
662 1 111 LEU H 1 111 LEU QB 2.900 . 3.500 2.745 2.239 3.231 . 0 0 "[ . 1 . 2]" 1
663 1 111 LEU QB 1 112 LYS H 3.500 . 4.500 2.981 2.119 4.041 . 0 0 "[ . 1 . 2]" 1
664 1 111 LEU H 1 111 LEU QD 3.500 . 5.200 2.342 1.522 3.426 0.278 5 0 "[ . 1 . 2]" 1
665 1 111 LEU QD 1 112 LYS H 3.500 . 5.900 3.857 3.006 4.481 . 0 0 "[ . 1 . 2]" 1
666 1 111 LEU H 1 111 LEU HG 2.900 . 2.900 2.116 1.781 2.917 0.019 6 0 "[ . 1 . 2]" 1
667 1 111 LEU HG 1 112 LYS H 5.000 . 5.000 4.585 3.866 5.026 0.026 18 0 "[ . 1 . 2]" 1
668 1 111 LEU H 1 112 LYS H 5.000 . 5.000 4.411 2.887 4.736 . 0 0 "[ . 1 . 2]" 1
669 1 112 LYS H 1 112 LYS HA 2.900 . 2.900 2.973 2.909 3.014 0.114 18 0 "[ . 1 . 2]" 1
670 1 112 LYS HA 1 113 TYR H 2.900 . 2.900 2.290 2.185 2.635 . 0 0 "[ . 1 . 2]" 1
671 1 112 LYS H 1 112 LYS QB 3.500 . 4.100 2.606 2.208 3.331 . 0 0 "[ . 1 . 2]" 1
672 1 112 LYS QB 1 113 TYR H 3.500 . 4.500 3.265 2.092 4.001 . 0 0 "[ . 1 . 2]" 1
673 1 112 LYS QD 1 113 TYR H 5.000 . 6.000 4.495 2.565 5.353 . 0 0 "[ . 1 . 2]" 1
674 1 112 LYS H 1 112 LYS QG 3.500 . 4.500 3.693 2.532 4.132 . 0 0 "[ . 1 . 2]" 1
675 1 112 LYS QG 1 113 TYR H 3.500 . 4.500 3.174 2.249 3.992 . 0 0 "[ . 1 . 2]" 1
676 1 112 LYS H 1 113 TYR H 5.000 . 5.000 4.394 3.956 4.656 . 0 0 "[ . 1 . 2]" 1
677 1 113 TYR HA 1 114 LYS H 2.900 . 2.900 2.233 2.189 2.338 . 0 0 "[ . 1 . 2]" 1
678 1 113 TYR H 1 113 TYR QB 3.500 . 4.100 2.829 2.457 3.239 . 0 0 "[ . 1 . 2]" 1
679 1 113 TYR QB 1 114 LYS H 5.000 . 6.000 3.205 2.736 3.639 . 0 0 "[ . 1 . 2]" 1
680 1 113 TYR H 1 113 TYR QD 3.500 . 5.500 2.549 1.783 3.133 0.017 15 0 "[ . 1 . 2]" 1
681 1 113 TYR QD 1 114 LYS H 3.500 . 5.500 4.557 3.994 4.970 . 0 0 "[ . 1 . 2]" 1
682 1 113 TYR H 1 113 TYR QE 5.000 . 7.000 3.959 3.325 4.576 . 0 0 "[ . 1 . 2]" 1
683 1 113 TYR H 1 114 LYS H 5.000 . 5.000 4.473 3.990 4.648 . 0 0 "[ . 1 . 2]" 1
684 1 114 LYS HA 1 115 LYS H 2.900 . 2.900 2.252 2.186 2.460 . 0 0 "[ . 1 . 2]" 1
685 1 114 LYS H 1 114 LYS QB 3.500 . 4.100 2.525 2.260 3.207 . 0 0 "[ . 1 . 2]" 1
686 1 114 LYS QB 1 115 LYS H 3.500 . 4.500 3.334 2.408 3.957 . 0 0 "[ . 1 . 2]" 1
687 1 114 LYS H 1 114 LYS QD 5.000 . 6.000 4.518 3.985 4.930 . 0 0 "[ . 1 . 2]" 1
688 1 114 LYS H 1 115 LYS H 5.000 . 5.000 4.403 3.912 4.639 . 0 0 "[ . 1 . 2]" 1
689 1 115 LYS HA 1 116 GLY H 2.900 . 2.900 2.266 2.186 2.427 . 0 0 "[ . 1 . 2]" 1
690 1 115 LYS H 1 115 LYS QB 2.900 . 3.500 2.545 2.212 3.226 . 0 0 "[ . 1 . 2]" 1
691 1 115 LYS QB 1 116 GLY H 5.000 . 6.000 3.076 2.480 3.666 . 0 0 "[ . 1 . 2]" 1
692 1 115 LYS H 1 115 LYS QG 3.500 . 4.500 2.616 1.713 4.034 0.087 6 0 "[ . 1 . 2]" 1
693 1 115 LYS QG 1 116 GLY H 5.000 . 6.000 3.892 2.243 4.453 . 0 0 "[ . 1 . 2]" 1
694 1 124 HIS HA 1 125 VAL H 2.900 . 2.900 2.461 2.186 2.959 0.059 5 0 "[ . 1 . 2]" 1
695 1 124 HIS QB 1 125 VAL H 5.000 . 6.000 3.440 1.824 4.090 . 0 0 "[ . 1 . 2]" 1
696 1 125 VAL H 1 125 VAL HB 2.900 . 2.900 2.710 2.416 2.920 0.020 8 0 "[ . 1 . 2]" 1
697 1 125 VAL H 1 125 VAL QG 3.500 . 5.200 2.053 1.694 2.417 0.106 7 0 "[ . 1 . 2]" 1
698 1 127 PRO HA 1 128 ASN H 5.000 . 5.000 2.996 2.200 3.607 . 0 0 "[ . 1 . 2]" 1
699 1 128 ASN HA 1 129 GLU H 3.500 . 3.500 2.684 2.197 3.598 0.098 17 0 "[ . 1 . 2]" 1
700 1 128 ASN QB 1 129 GLU H 5.000 . 6.000 3.105 1.746 4.009 0.054 1 0 "[ . 1 . 2]" 1
701 1 129 GLU HA 1 130 VAL H 2.900 . 2.900 2.447 2.202 2.872 . 0 0 "[ . 1 . 2]" 1
702 1 129 GLU H 1 129 GLU QB 3.500 . 4.100 2.690 2.227 3.198 . 0 0 "[ . 1 . 2]" 1
703 1 129 GLU QB 1 130 VAL H 3.500 . 4.500 3.105 1.804 4.068 . 0 0 "[ . 1 . 2]" 1
704 1 129 GLU QG 1 130 VAL H 3.500 . 4.500 3.775 2.295 4.075 . 0 0 "[ . 1 . 2]" 1
705 1 130 VAL H 1 130 VAL HA 2.900 . 2.900 2.926 2.777 3.017 0.117 3 0 "[ . 1 . 2]" 1
706 1 130 VAL H 1 130 VAL HB 2.900 . 2.900 2.678 2.371 2.927 0.027 17 0 "[ . 1 . 2]" 1
707 1 130 VAL H 1 130 VAL QG 2.900 . 4.600 2.152 1.775 3.142 0.025 15 0 "[ . 1 . 2]" 1
708 1 131 VAL H 1 131 VAL HA 2.900 . 2.900 2.883 2.788 2.984 0.084 8 0 "[ . 1 . 2]" 1
709 1 131 VAL H 1 131 VAL HB 2.900 . 2.900 2.652 2.435 2.918 0.018 8 0 "[ . 1 . 2]" 1
710 1 131 VAL H 1 131 VAL QG 2.900 . 4.600 2.032 1.657 2.941 0.143 5 0 "[ . 1 . 2]" 1
711 1 132 VAL H 1 132 VAL HA 2.900 . 2.900 2.920 2.801 2.994 0.094 13 0 "[ . 1 . 2]" 1
712 1 132 VAL HA 1 133 GLN H 3.500 . 3.500 2.598 2.187 3.521 0.021 15 0 "[ . 1 . 2]" 1
713 1 132 VAL H 1 132 VAL HB 2.900 . 2.900 2.628 2.334 2.920 0.020 13 0 "[ . 1 . 2]" 1
714 1 132 VAL H 1 132 VAL QG 2.900 . 4.600 2.111 1.678 2.929 0.122 12 0 "[ . 1 . 2]" 1
715 1 3 PRO HA 1 6 LEU QD 2.700 . 5.100 3.323 2.056 3.861 . 0 0 "[ . 1 . 2]" 1
716 1 5 PHE QD 1 24 LEU QD 5.000 . 9.400 3.317 2.234 3.956 . 0 0 "[ . 1 . 2]" 1
717 1 5 PHE QD 1 43 ILE MD 3.500 . 7.000 5.032 4.298 5.362 . 0 0 "[ . 1 . 2]" 1
718 1 5 PHE QE 1 24 LEU QD 3.500 . 7.900 4.667 3.260 5.256 . 0 0 "[ . 1 . 2]" 1
719 1 5 PHE QE 1 43 ILE MD 3.500 . 7.000 3.941 3.615 4.781 . 0 0 "[ . 1 . 2]" 1
720 1 8 ALA MB 1 17 TRP HH2 3.500 . 5.000 3.130 2.295 3.593 . 0 0 "[ . 1 . 2]" 1
721 1 8 ALA MB 1 17 TRP HZ2 5.000 . 6.500 4.811 4.181 5.224 . 0 0 "[ . 1 . 2]" 1
722 1 8 ALA MB 1 44 LEU QD 2.700 . 6.600 1.964 1.698 2.619 0.102 13 0 "[ . 1 . 2]" 1
723 1 8 ALA MB 1 81 LEU QD 2.700 . 6.600 3.750 3.385 3.954 . 0 0 "[ . 1 . 2]" 1
724 1 9 GLY QA 1 44 LEU QD 3.500 . 6.900 2.964 2.315 3.527 . 0 0 "[ . 1 . 2]" 1
725 1 12 PRO HA 1 46 THR MG 2.700 . 4.200 2.574 2.116 3.207 . 0 0 "[ . 1 . 2]" 1
726 1 12 PRO HA 1 54 LEU QD 5.000 . 7.400 2.837 2.567 3.074 . 0 0 "[ . 1 . 2]" 1
727 1 12 PRO QD 1 54 LEU QD 5.000 . 8.400 3.336 2.760 3.811 . 0 0 "[ . 1 . 2]" 1
728 1 12 PRO QG 1 54 LEU QD 5.000 . 8.400 3.203 1.870 3.903 . 0 0 "[ . 1 . 2]" 1
729 1 14 LEU QD 1 106 TYR QD 3.500 . 7.900 2.975 2.385 4.085 . 0 0 "[ . 1 . 2]" 1
730 1 14 LEU QD 1 106 TYR QE 3.500 . 7.900 2.534 2.181 2.936 . 0 0 "[ . 1 . 2]" 1
731 1 14 LEU QD 1 16 ILE MD 2.700 . 6.600 2.671 1.887 3.322 . 0 0 "[ . 1 . 2]" 1
732 1 14 LEU QD 1 32 TYR QD 5.000 . 9.400 4.874 4.177 5.572 . 0 0 "[ . 1 . 2]" 1
733 1 14 LEU QD 1 32 TYR QE 5.000 . 9.400 4.372 3.113 5.150 . 0 0 "[ . 1 . 2]" 1
734 1 14 LEU QD 1 43 ILE MG 2.700 . 6.600 2.057 1.777 2.662 0.023 10 0 "[ . 1 . 2]" 1
735 1 14 LEU QD 1 45 LYS QB 3.500 . 6.900 2.553 1.928 3.331 . 0 0 "[ . 1 . 2]" 1
736 1 14 LEU QD 1 45 LYS QD 2.700 . 6.100 2.988 2.505 3.912 . 0 0 "[ . 1 . 2]" 1
737 1 16 ILE MD 1 32 TYR HA 3.500 . 5.000 3.864 2.839 4.129 . 0 0 "[ . 1 . 2]" 1
738 1 16 ILE MD 1 32 TYR QB 5.000 . 7.500 2.931 1.936 4.495 . 0 0 "[ . 1 . 2]" 1
739 1 16 ILE MD 1 32 TYR QD 5.000 . 8.500 2.298 1.972 3.329 . 0 0 "[ . 1 . 2]" 1
740 1 16 ILE MD 1 32 TYR QE 3.500 . 7.000 2.880 2.047 3.916 . 0 0 "[ . 1 . 2]" 1
741 1 16 ILE MD 1 43 ILE HG13 5.000 . 6.500 5.293 5.078 5.442 . 0 0 "[ . 1 . 2]" 1
742 1 16 ILE MD 1 43 ILE MG 2.700 . 5.700 3.326 2.924 3.613 . 0 0 "[ . 1 . 2]" 1
743 1 16 ILE MG 1 27 VAL HB 2.700 . 4.200 3.062 2.648 3.354 . 0 0 "[ . 1 . 2]" 1
744 1 16 ILE MG 1 27 VAL QG 2.700 . 6.600 2.565 1.917 3.174 . 0 0 "[ . 1 . 2]" 1
745 1 16 ILE MG 1 32 TYR QE 5.000 . 8.500 5.157 3.758 6.035 . 0 0 "[ . 1 . 2]" 1
746 1 16 ILE MG 1 35 PHE QE 3.500 . 7.000 3.329 2.202 5.065 . 0 0 "[ . 1 . 2]" 1
747 1 16 ILE MG 1 35 PHE HZ 5.000 . 6.500 3.733 2.401 5.214 . 0 0 "[ . 1 . 2]" 1
748 1 16 ILE MG 1 41 TYR QB 5.000 . 7.500 3.293 2.806 3.771 . 0 0 "[ . 1 . 2]" 1
749 1 16 ILE MG 1 41 TYR QD 5.000 . 8.500 2.980 2.356 3.751 . 0 0 "[ . 1 . 2]" 1
750 1 16 ILE MG 1 41 TYR QE 5.000 . 8.500 4.177 2.814 5.207 . 0 0 "[ . 1 . 2]" 1
751 1 16 ILE MG 1 43 ILE HA 5.000 . 6.500 3.937 3.571 4.195 . 0 0 "[ . 1 . 2]" 1
752 1 16 ILE MG 1 43 ILE MD 3.500 . 6.500 2.439 1.850 4.349 . 0 0 "[ . 1 . 2]" 1
753 1 16 ILE MG 1 43 ILE HG13 5.000 . 6.500 3.864 2.838 4.532 . 0 0 "[ . 1 . 2]" 1
754 1 17 TRP HH2 1 44 LEU QD 5.000 . 7.400 5.279 4.804 5.454 . 0 0 "[ . 1 . 2]" 1
755 1 19 VAL HA 1 24 LEU QD 5.000 . 7.400 2.596 1.857 3.599 . 0 0 "[ . 1 . 2]" 1
756 1 19 VAL QG 1 24 LEU QD 3.500 . 8.300 2.840 2.143 3.635 . 0 0 "[ . 1 . 2]" 1
757 1 19 VAL QG 1 74 ALA HA 2.700 . 5.100 3.294 2.621 3.761 . 0 0 "[ . 1 . 2]" 1
758 1 19 VAL QG 1 74 ALA MB 2.700 . 6.600 2.816 2.332 3.357 . 0 0 "[ . 1 . 2]" 1
759 1 27 VAL HA 1 27 VAL QG 2.700 . 4.400 2.121 2.081 2.400 . 0 0 "[ . 1 . 2]" 1
760 1 27 VAL QG 1 41 TYR QE 3.500 . 7.900 2.744 2.052 5.385 . 0 0 "[ . 1 . 2]" 1
761 1 29 THR MG 1 32 TYR QE 5.000 . 8.500 4.592 2.248 5.729 . 0 0 "[ . 1 . 2]" 1
762 1 35 PHE QD 1 111 LEU QD 3.500 . 7.900 3.705 2.486 4.603 . 0 0 "[ . 1 . 2]" 1
763 1 35 PHE QE 1 111 LEU QD 2.700 . 7.100 2.967 1.996 4.234 . 0 0 "[ . 1 . 2]" 1
764 1 35 PHE QE 1 43 ILE MD 3.500 . 7.000 3.186 2.261 4.923 . 0 0 "[ . 1 . 2]" 1
765 1 37 THR MG 1 113 TYR QB 3.500 . 6.000 2.921 2.259 3.784 . 0 0 "[ . 1 . 2]" 1
766 1 37 THR MG 1 115 LYS HA 3.500 . 5.000 3.058 2.220 3.937 . 0 0 "[ . 1 . 2]" 1
767 1 40 ALA HA 1 62 LEU QD 5.000 . 7.400 4.321 3.613 5.108 . 0 0 "[ . 1 . 2]" 1
768 1 41 TYR QB 1 43 ILE MD 3.500 . 6.000 2.473 2.022 3.549 . 0 0 "[ . 1 . 2]" 1
769 1 42 VAL HA 1 43 ILE MD 5.000 . 6.500 2.770 2.049 3.271 . 0 0 "[ . 1 . 2]" 1
770 1 42 VAL HB 1 43 ILE MG 5.000 . 6.500 5.477 5.350 5.541 . 0 0 "[ . 1 . 2]" 1
771 1 42 VAL QG 1 81 LEU QD 2.700 . 7.500 3.214 2.923 3.449 . 0 0 "[ . 1 . 2]" 1
772 1 43 ILE MD 1 59 HIS QB 5.000 . 7.500 4.011 1.935 5.374 . 0 0 "[ . 1 . 2]" 1
773 1 43 ILE MD 1 60 TYR HA 5.000 . 6.500 3.931 2.756 4.438 . 0 0 "[ . 1 . 2]" 1
774 1 43 ILE MD 1 61 TRP QB 3.500 . 6.000 3.361 2.794 3.837 . 0 0 "[ . 1 . 2]" 1
775 1 43 ILE MG 1 106 TYR QD 5.000 . 8.500 5.624 4.587 6.204 . 0 0 "[ . 1 . 2]" 1
776 1 43 ILE MG 1 106 TYR QE 5.000 . 8.500 5.642 4.251 6.320 . 0 0 "[ . 1 . 2]" 1
777 1 44 LEU QD 1 56 TYR QB 5.000 . 8.400 2.884 2.568 3.084 . 0 0 "[ . 1 . 2]" 1
778 1 44 LEU QD 1 81 LEU QD 2.700 . 7.500 2.656 1.999 3.844 . 0 0 "[ . 1 . 2]" 1
779 1 44 LEU QD 1 84 TYR QE 5.000 . 9.400 5.172 4.804 5.975 . 0 0 "[ . 1 . 2]" 1
780 1 44 LEU QD 1 85 LEU QD 2.700 . 7.500 3.052 2.231 3.959 . 0 0 "[ . 1 . 2]" 1
781 1 46 THR MG 1 56 TYR QE 2.700 . 6.200 2.522 2.030 2.973 . 0 0 "[ . 1 . 2]" 1
782 1 48 GLN QB 1 54 LEU QD 3.500 . 6.900 2.801 2.570 3.680 . 0 0 "[ . 1 . 2]" 1
783 1 48 GLN QG 1 54 LEU QD 3.500 . 6.900 3.059 2.127 3.689 . 0 0 "[ . 1 . 2]" 1
784 1 49 LEU QD 1 53 ASN QB 2.700 . 6.100 2.507 1.798 3.463 0.002 10 0 "[ . 1 . 2]" 1
785 1 49 LEU QD 1 55 GLN QB 2.700 . 6.100 1.902 1.742 2.107 0.058 10 0 "[ . 1 . 2]" 1
786 1 49 LEU QD 1 55 GLN QG 3.500 . 6.900 2.889 1.974 3.506 . 0 0 "[ . 1 . 2]" 1
787 1 58 LEU QD 1 78 THR MG 2.700 . 6.600 2.468 1.846 3.081 . 0 0 "[ . 1 . 2]" 1
788 1 58 LEU QD 1 81 LEU QD 3.500 . 8.300 1.991 1.585 2.811 0.215 13 0 "[ . 1 . 2]" 1
789 1 58 LEU QD 1 89 ALA MB 2.700 . 6.600 2.386 1.790 3.915 0.010 4 0 "[ . 1 . 2]" 1
790 1 60 TYR QD 1 62 LEU QD 2.700 . 7.100 2.681 2.078 3.284 . 0 0 "[ . 1 . 2]" 1
791 1 60 TYR QD 1 78 THR MG 3.500 . 7.000 3.030 2.318 4.075 . 0 0 "[ . 1 . 2]" 1
792 1 60 TYR QE 1 62 LEU QD 2.700 . 7.100 3.071 1.978 4.225 . 0 0 "[ . 1 . 2]" 1
793 1 60 TYR QE 1 78 THR MG 3.500 . 7.000 3.843 2.305 5.304 . 0 0 "[ . 1 . 2]" 1
794 1 62 LEU QD 1 71 SER HA 2.700 . 5.100 2.941 2.377 3.798 . 0 0 "[ . 1 . 2]" 1
795 1 62 LEU QD 1 71 SER QB 2.700 . 6.100 2.181 1.928 2.627 . 0 0 "[ . 1 . 2]" 1
796 1 62 LEU QD 1 74 ALA MB 2.700 . 6.600 3.295 2.485 3.895 . 0 0 "[ . 1 . 2]" 1
797 1 70 GLU HA 1 73 ALA MB 3.500 . 5.000 3.114 2.908 3.282 . 0 0 "[ . 1 . 2]" 1
798 1 71 SER HA 1 74 ALA MB 5.000 . 6.500 2.606 2.318 2.791 . 0 0 "[ . 1 . 2]" 1
799 1 73 ALA MB 1 76 ILE MD 3.500 . 6.500 3.522 3.348 3.691 . 0 0 "[ . 1 . 2]" 1
800 1 76 ILE HA 1 79 VAL QG 2.700 . 5.100 2.683 2.144 2.968 . 0 0 "[ . 1 . 2]" 1
801 1 81 LEU QD 1 85 LEU QD 3.500 . 8.300 2.670 2.088 3.992 . 0 0 "[ . 1 . 2]" 1
802 1 84 TYR QD 1 85 LEU QD 3.500 . 7.900 2.790 2.256 3.848 . 0 0 "[ . 1 . 2]" 1
803 1 84 TYR QE 1 85 LEU QD 3.500 . 7.900 2.857 2.330 3.946 . 0 0 "[ . 1 . 2]" 1
804 1 85 LEU QD 1 89 ALA MB 3.500 . 7.400 2.814 2.053 3.948 . 0 0 "[ . 1 . 2]" 1
805 1 102 THR MG 1 106 TYR QE 3.500 . 7.000 4.442 2.292 5.387 . 0 0 "[ . 1 . 2]" 1
806 1 103 PHE QD 1 104 LEU QD 5.000 . 9.400 4.535 3.597 5.585 . 0 0 "[ . 1 . 2]" 1
807 1 104 LEU QD 1 111 LEU QD 2.700 . 7.500 2.863 1.790 3.764 0.010 2 0 "[ . 1 . 2]" 1
808 1 107 PHE QD 1 111 LEU QD 3.500 . 7.900 3.301 2.329 4.134 . 0 0 "[ . 1 . 2]" 1
809 1 111 LEU QD 1 113 TYR QE 3.500 . 7.900 3.209 2.632 4.454 . 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 88
_Distance_constraint_stats_list.Viol_count 217
_Distance_constraint_stats_list.Viol_total 97.578
_Distance_constraint_stats_list.Viol_max 0.087
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0225
_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 4 GLU 0.017 0.017 11 0 "[ . 1 . 2]"
1 8 ALA 0.017 0.017 11 0 "[ . 1 . 2]"
1 13 GLY 0.205 0.023 8 0 "[ . 1 . 2]"
1 15 GLN 0.227 0.049 8 0 "[ . 1 . 2]"
1 17 TRP 0.550 0.087 2 0 "[ . 1 . 2]"
1 18 ARG 0.098 0.035 1 0 "[ . 1 . 2]"
1 19 VAL 0.052 0.030 8 0 "[ . 1 . 2]"
1 25 VAL 0.098 0.035 1 0 "[ . 1 . 2]"
1 28 PRO 0.032 0.010 2 0 "[ . 1 . 2]"
1 32 TYR 0.032 0.010 2 0 "[ . 1 . 2]"
1 33 GLY 0.031 0.031 5 0 "[ . 1 . 2]"
1 35 PHE 0.045 0.035 15 0 "[ . 1 . 2]"
1 40 ALA 0.052 0.030 8 0 "[ . 1 . 2]"
1 41 TYR 0.075 0.031 7 0 "[ . 1 . 2]"
1 42 VAL 0.550 0.087 2 0 "[ . 1 . 2]"
1 43 ILE 0.421 0.074 15 0 "[ . 1 . 2]"
1 44 LEU 0.227 0.049 8 0 "[ . 1 . 2]"
1 45 LYS 1.193 0.087 14 0 "[ . 1 . 2]"
1 46 THR 0.205 0.023 8 0 "[ . 1 . 2]"
1 47 VAL 0.259 0.036 5 0 "[ . 1 . 2]"
1 55 GLN 0.259 0.036 5 0 "[ . 1 . 2]"
1 57 ASP 1.193 0.087 14 0 "[ . 1 . 2]"
1 58 LEU 0.221 0.045 5 0 "[ . 1 . 2]"
1 59 HIS 0.421 0.074 15 0 "[ . 1 . 2]"
1 60 TYR 0.185 0.053 17 0 "[ . 1 . 2]"
1 61 TRP 0.075 0.031 7 0 "[ . 1 . 2]"
1 62 LEU 0.034 0.017 1 0 "[ . 1 . 2]"
1 68 GLN 0.541 0.046 19 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.006 0.003 9 0 "[ . 1 . 2]"
1 71 SER 0.055 0.029 15 0 "[ . 1 . 2]"
1 72 GLY 0.664 0.046 19 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.006 0.003 9 0 "[ . 1 . 2]"
1 75 ALA 0.385 0.041 10 0 "[ . 1 . 2]"
1 76 ILE 0.123 0.041 9 0 "[ . 1 . 2]"
1 77 PHE 0.006 0.006 15 0 "[ . 1 . 2]"
1 78 THR 0.026 0.013 6 0 "[ . 1 . 2]"
1 79 VAL 0.330 0.041 10 0 "[ . 1 . 2]"
1 80 GLN 0.014 0.012 15 0 "[ . 1 . 2]"
1 81 LEU 0.009 0.006 15 0 "[ . 1 . 2]"
1 82 ASP 0.026 0.013 6 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TYR 0.014 0.012 15 0 "[ . 1 . 2]"
1 85 LEU 0.003 0.003 6 0 "[ . 1 . 2]"
1 90 VAL 0.040 0.040 5 0 "[ . 1 . 2]"
1 92 HIS 0.182 0.045 5 0 "[ . 1 . 2]"
1 94 GLU 0.219 0.053 17 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.099 0.033 14 0 "[ . 1 . 2]"
1 102 THR 0.018 0.018 2 0 "[ . 1 . 2]"
1 103 PHE 0.012 0.012 6 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.099 0.033 14 0 "[ . 1 . 2]"
1 106 TYR 0.018 0.018 2 0 "[ . 1 . 2]"
1 107 PHE 0.012 0.012 6 0 "[ . 1 . 2]"
1 112 LYS 0.066 0.035 15 0 "[ . 1 . 2]"
1 114 LYS 0.010 0.010 15 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 33 GLY O 1 112 LYS H 2.200 . 2.200 2.110 1.769 2.194 0.031 5 0 "[ . 1 . 2]" 2
2 1 33 GLY O 1 112 LYS N 3.300 2.200 3.300 2.928 2.491 3.139 . 0 0 "[ . 1 . 2]" 2
3 1 35 PHE O 1 114 LYS H 2.200 . 2.200 2.079 1.790 2.184 0.010 15 0 "[ . 1 . 2]" 2
4 1 35 PHE O 1 114 LYS N 3.300 2.200 3.300 3.025 2.791 3.161 . 0 0 "[ . 1 . 2]" 2
5 1 35 PHE H 1 112 LYS O 2.200 . 2.200 2.084 1.765 2.181 0.035 15 0 "[ . 1 . 2]" 2
6 1 35 PHE N 1 112 LYS O 3.300 2.200 3.300 2.959 2.692 3.170 . 0 0 "[ . 1 . 2]" 2
7 1 13 GLY O 1 46 THR H 2.200 . 2.200 2.155 1.849 2.208 0.008 9 0 "[ . 1 . 2]" 2
8 1 13 GLY O 1 46 THR N 3.300 2.200 3.300 3.082 2.856 3.196 . 0 0 "[ . 1 . 2]" 2
9 1 15 GLN O 1 44 LEU H 2.200 . 2.200 2.206 2.155 2.249 0.049 8 0 "[ . 1 . 2]" 2
10 1 15 GLN O 1 44 LEU N 3.300 2.200 3.300 3.166 3.077 3.222 . 0 0 "[ . 1 . 2]" 2
11 1 17 TRP O 1 42 VAL H 2.200 . 2.200 2.042 1.760 2.180 0.040 4 0 "[ . 1 . 2]" 2
12 1 17 TRP O 1 42 VAL N 3.300 2.200 3.300 2.970 2.718 3.141 . 0 0 "[ . 1 . 2]" 2
13 1 13 GLY H 1 46 THR O 2.200 . 2.200 2.210 2.201 2.223 0.023 8 0 "[ . 1 . 2]" 2
14 1 13 GLY N 1 46 THR O 3.300 2.200 3.300 2.458 2.340 2.649 . 0 0 "[ . 1 . 2]" 2
15 1 15 GLN H 1 44 LEU O 2.200 . 2.200 2.172 2.077 2.201 0.001 16 0 "[ . 1 . 2]" 2
16 1 15 GLN N 1 44 LEU O 3.300 2.200 3.300 3.103 3.018 3.190 . 0 0 "[ . 1 . 2]" 2
17 1 17 TRP H 1 42 VAL O 2.200 . 2.200 2.217 2.082 2.287 0.087 2 0 "[ . 1 . 2]" 2
18 1 17 TRP N 1 42 VAL O 3.300 2.200 3.300 3.080 2.865 3.292 . 0 0 "[ . 1 . 2]" 2
19 1 19 VAL H 1 40 ALA O 2.200 . 2.200 2.191 2.161 2.230 0.030 8 0 "[ . 1 . 2]" 2
20 1 19 VAL N 1 40 ALA O 3.300 2.200 3.300 3.168 3.096 3.239 . 0 0 "[ . 1 . 2]" 2
21 1 18 ARG H 1 25 VAL O 2.200 . 2.200 1.937 1.765 2.215 0.035 1 0 "[ . 1 . 2]" 2
22 1 18 ARG N 1 25 VAL O 3.300 2.200 3.300 2.815 2.520 3.152 . 0 0 "[ . 1 . 2]" 2
23 1 47 VAL O 1 55 GLN H 2.200 . 2.200 1.863 1.764 2.135 0.036 5 0 "[ . 1 . 2]" 2
24 1 47 VAL O 1 55 GLN N 3.300 2.200 3.300 2.621 2.525 2.879 . 0 0 "[ . 1 . 2]" 2
25 1 45 LYS O 1 57 ASP H 2.200 . 2.200 1.781 1.743 1.909 0.057 3 0 "[ . 1 . 2]" 2
26 1 45 LYS O 1 57 ASP N 3.300 2.200 3.300 2.746 2.637 2.915 . 0 0 "[ . 1 . 2]" 2
27 1 43 ILE O 1 59 HIS H 2.200 . 2.200 1.912 1.746 2.165 0.054 7 0 "[ . 1 . 2]" 2
28 1 43 ILE O 1 59 HIS N 3.300 2.200 3.300 2.881 2.713 3.145 . 0 0 "[ . 1 . 2]" 2
29 1 41 TYR O 1 61 TRP H 2.200 . 2.200 1.981 1.838 2.138 . 0 0 "[ . 1 . 2]" 2
30 1 41 TYR O 1 61 TRP N 3.300 2.200 3.300 2.960 2.749 3.137 . 0 0 "[ . 1 . 2]" 2
31 1 41 TYR H 1 61 TRP O 2.200 . 2.200 2.181 1.983 2.231 0.031 7 0 "[ . 1 . 2]" 2
32 1 41 TYR N 1 61 TRP O 3.300 2.200 3.300 3.149 2.934 3.223 . 0 0 "[ . 1 . 2]" 2
33 1 43 ILE H 1 59 HIS O 2.200 . 2.200 2.118 1.741 2.274 0.074 15 0 "[ . 1 . 2]" 2
34 1 43 ILE N 1 59 HIS O 3.300 2.200 3.300 3.027 2.686 3.230 . 0 0 "[ . 1 . 2]" 2
35 1 45 LYS H 1 57 ASP O 2.200 . 2.200 1.771 1.713 1.832 0.087 14 0 "[ . 1 . 2]" 2
36 1 45 LYS N 1 57 ASP O 3.300 2.200 3.300 2.654 2.473 2.748 . 0 0 "[ . 1 . 2]" 2
37 1 47 VAL H 1 55 GLN O 2.200 . 2.200 2.164 2.014 2.233 0.033 2 0 "[ . 1 . 2]" 2
38 1 47 VAL N 1 55 GLN O 3.300 2.200 3.300 3.090 2.966 3.164 . 0 0 "[ . 1 . 2]" 2
39 1 62 LEU H 1 94 GLU O 2.200 . 2.200 2.157 1.989 2.217 0.017 1 0 "[ . 1 . 2]" 2
40 1 62 LEU N 1 94 GLU O 3.300 2.200 3.300 3.117 2.966 3.168 . 0 0 "[ . 1 . 2]" 2
41 1 60 TYR H 1 92 HIS O 2.200 . 2.200 2.076 1.898 2.200 . 0 0 "[ . 1 . 2]" 2
42 1 60 TYR N 1 92 HIS O 3.300 2.200 3.300 3.017 2.885 3.167 . 0 0 "[ . 1 . 2]" 2
43 1 58 LEU H 1 90 VAL O 2.200 . 2.200 2.064 1.760 2.191 0.040 5 0 "[ . 1 . 2]" 2
44 1 58 LEU N 1 90 VAL O 3.300 2.200 3.300 3.026 2.760 3.176 . 0 0 "[ . 1 . 2]" 2
45 1 58 LEU O 1 92 HIS H 2.200 . 2.200 2.158 1.878 2.245 0.045 5 0 "[ . 1 . 2]" 2
46 1 58 LEU O 1 92 HIS N 3.300 2.200 3.300 2.991 2.704 3.167 . 0 0 "[ . 1 . 2]" 2
47 1 60 TYR O 1 94 GLU H 2.200 . 2.200 1.967 1.747 2.183 0.053 17 0 "[ . 1 . 2]" 2
48 1 60 TYR O 1 94 GLU N 3.300 2.200 3.300 2.909 2.578 3.166 . 0 0 "[ . 1 . 2]" 2
49 1 4 GLU O 1 8 ALA H 2.200 . 2.200 2.088 1.783 2.199 0.017 11 0 "[ . 1 . 2]" 2
50 1 4 GLU O 1 8 ALA N 3.300 2.200 3.300 2.705 2.367 2.963 . 0 0 "[ . 1 . 2]" 2
51 1 28 PRO O 1 32 TYR H 2.200 . 2.200 2.190 2.144 2.210 0.010 2 0 "[ . 1 . 2]" 2
52 1 28 PRO O 1 32 TYR N 3.300 2.200 3.300 2.997 2.801 3.146 . 0 0 "[ . 1 . 2]" 2
53 1 103 PHE O 1 107 PHE H 2.200 . 2.200 2.123 1.842 2.212 0.012 6 0 "[ . 1 . 2]" 2
54 1 103 PHE O 1 107 PHE N 3.300 2.200 3.300 3.042 2.807 3.181 . 0 0 "[ . 1 . 2]" 2
55 1 102 THR O 1 106 TYR H 2.200 . 2.200 2.031 1.782 2.187 0.018 2 0 "[ . 1 . 2]" 2
56 1 102 THR O 1 106 TYR N 3.300 2.200 3.300 2.799 2.566 3.042 . 0 0 "[ . 1 . 2]" 2
57 1 101 ALA O 1 105 GLY H 2.200 . 2.200 2.032 1.767 2.186 0.033 14 0 "[ . 1 . 2]" 2
58 1 101 ALA O 1 105 GLY N 3.300 2.200 3.300 2.847 2.574 3.024 . 0 0 "[ . 1 . 2]" 2
59 1 100 SER O 1 104 LEU H 2.200 . 2.200 2.082 1.911 2.180 . 0 0 "[ . 1 . 2]" 2
60 1 100 SER O 1 104 LEU N 3.300 2.200 3.300 3.042 2.796 3.181 . 0 0 "[ . 1 . 2]" 2
61 1 68 GLN O 1 72 GLY H 2.200 . 2.200 1.773 1.754 1.809 0.046 19 0 "[ . 1 . 2]" 2
62 1 68 GLN O 1 72 GLY N 3.300 2.200 3.300 2.431 2.343 2.581 . 0 0 "[ . 1 . 2]" 2
63 1 69 ASP O 1 73 ALA H 2.200 . 2.200 2.106 1.815 2.189 . 0 0 "[ . 1 . 2]" 2
64 1 69 ASP O 1 73 ALA N 3.300 2.200 3.300 3.048 2.798 3.145 . 0 0 "[ . 1 . 2]" 2
65 1 70 GLU O 1 74 ALA H 2.200 . 2.200 2.177 2.009 2.203 0.003 9 0 "[ . 1 . 2]" 2
66 1 70 GLU O 1 74 ALA N 3.300 2.200 3.300 3.176 2.993 3.212 . 0 0 "[ . 1 . 2]" 2
67 1 71 SER O 1 75 ALA H 2.200 . 2.200 2.018 1.771 2.175 0.029 15 0 "[ . 1 . 2]" 2
68 1 71 SER O 1 75 ALA N 3.300 2.200 3.300 2.970 2.721 3.170 . 0 0 "[ . 1 . 2]" 2
69 1 72 GLY O 1 76 ILE H 2.200 . 2.200 1.987 1.759 2.180 0.041 9 0 "[ . 1 . 2]" 2
70 1 72 GLY O 1 76 ILE N 3.300 2.200 3.300 2.958 2.689 3.179 . 0 0 "[ . 1 . 2]" 2
71 1 73 ALA O 1 77 PHE H 2.200 . 2.200 2.175 2.079 2.197 . 0 0 "[ . 1 . 2]" 2
72 1 73 ALA O 1 77 PHE N 3.300 2.200 3.300 3.149 3.065 3.200 . 0 0 "[ . 1 . 2]" 2
73 1 74 ALA O 1 78 THR H 2.200 . 2.200 2.169 2.005 2.200 0.000 12 0 "[ . 1 . 2]" 2
74 1 74 ALA O 1 78 THR N 3.300 2.200 3.300 3.097 2.916 3.170 . 0 0 "[ . 1 . 2]" 2
75 1 75 ALA O 1 79 VAL H 2.200 . 2.200 1.851 1.759 2.173 0.041 10 0 "[ . 1 . 2]" 2
76 1 75 ALA O 1 79 VAL N 3.300 2.200 3.300 2.799 2.610 3.149 . 0 0 "[ . 1 . 2]" 2
77 1 76 ILE O 1 80 GLN H 2.200 . 2.200 2.089 1.843 2.178 . 0 0 "[ . 1 . 2]" 2
78 1 76 ILE O 1 80 GLN N 3.300 2.200 3.300 3.026 2.775 3.150 . 0 0 "[ . 1 . 2]" 2
79 1 77 PHE O 1 81 LEU H 2.200 . 2.200 2.135 1.884 2.206 0.006 15 0 "[ . 1 . 2]" 2
80 1 77 PHE O 1 81 LEU N 3.300 2.200 3.300 3.122 2.874 3.198 . 0 0 "[ . 1 . 2]" 2
81 1 78 THR O 1 82 ASP H 2.200 . 2.200 2.172 2.042 2.213 0.013 6 0 "[ . 1 . 2]" 2
82 1 78 THR O 1 82 ASP N 3.300 2.200 3.300 3.085 2.961 3.177 . 0 0 "[ . 1 . 2]" 2
83 1 79 VAL O 1 83 ASP H 2.200 . 2.200 2.105 1.871 2.186 . 0 0 "[ . 1 . 2]" 2
84 1 79 VAL O 1 83 ASP N 3.300 2.200 3.300 3.105 2.873 3.189 . 0 0 "[ . 1 . 2]" 2
85 1 80 GLN O 1 84 TYR H 2.200 . 2.200 2.141 1.869 2.212 0.012 15 0 "[ . 1 . 2]" 2
86 1 80 GLN O 1 84 TYR N 3.300 2.200 3.300 3.064 2.779 3.171 . 0 0 "[ . 1 . 2]" 2
87 1 81 LEU O 1 85 LEU H 2.200 . 2.200 2.056 1.797 2.193 0.003 6 0 "[ . 1 . 2]" 2
88 1 81 LEU O 1 85 LEU N 3.300 2.200 3.300 2.825 2.517 3.002 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 8:44:07 AM GMT (wattos1)