NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581037 |
4uzm   |
25210 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4uzm
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 2199
_Distance_constraint_stats_list.Viol_count 3903
_Distance_constraint_stats_list.Viol_total 2031.478
_Distance_constraint_stats_list.Viol_max 0.157
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0260
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.294 0.052 6 0 "[ . 1 . 2]"
1 3 PHE 1.207 0.052 6 0 "[ . 1 . 2]"
1 4 ALA 0.706 0.051 5 0 "[ . 1 . 2]"
1 5 ASP 0.874 0.051 5 0 "[ . 1 . 2]"
1 6 ALA 0.409 0.029 5 0 "[ . 1 . 2]"
1 7 GLN 0.361 0.025 12 0 "[ . 1 . 2]"
1 8 THR 0.825 0.026 11 0 "[ . 1 . 2]"
1 9 ARG 0.225 0.054 9 0 "[ . 1 . 2]"
1 10 LYS 2.979 0.082 19 0 "[ . 1 . 2]"
1 11 LEU 2.424 0.048 7 0 "[ . 1 . 2]"
1 12 THR 0.065 0.010 9 0 "[ . 1 . 2]"
1 13 PRO 0.410 0.028 18 0 "[ . 1 . 2]"
1 14 GLU 0.117 0.025 11 0 "[ . 1 . 2]"
1 15 GLU 0.361 0.065 7 0 "[ . 1 . 2]"
1 16 ARG 1.917 0.045 7 0 "[ . 1 . 2]"
1 17 SER 1.030 0.056 7 0 "[ . 1 . 2]"
1 18 ALA 2.628 0.144 11 0 "[ . 1 . 2]"
1 19 VAL 4.179 0.090 11 0 "[ . 1 . 2]"
1 20 GLU 2.335 0.054 18 0 "[ . 1 . 2]"
1 21 ASN 1.376 0.057 14 0 "[ . 1 . 2]"
1 22 TYR 3.735 0.157 11 0 "[ . 1 . 2]"
1 23 LEU 4.103 0.105 5 0 "[ . 1 . 2]"
1 24 GLU 1.366 0.045 9 0 "[ . 1 . 2]"
1 25 SER 0.906 0.045 9 0 "[ . 1 . 2]"
1 26 LEU 2.427 0.067 3 0 "[ . 1 . 2]"
1 27 THR 1.307 0.064 15 0 "[ . 1 . 2]"
1 28 GLN 0.425 0.052 12 0 "[ . 1 . 2]"
1 29 VAL 0.279 0.049 14 0 "[ . 1 . 2]"
1 30 LEU 0.056 0.048 3 0 "[ . 1 . 2]"
1 31 GLN 0.327 0.053 8 0 "[ . 1 . 2]"
1 32 VAL 0.325 0.053 8 0 "[ . 1 . 2]"
1 33 PRO 0.204 0.053 1 0 "[ . 1 . 2]"
1 34 GLY 0.204 0.053 1 0 "[ . 1 . 2]"
1 35 PRO 0.063 0.039 6 0 "[ . 1 . 2]"
1 36 THR 0.059 0.039 6 0 "[ . 1 . 2]"
1 37 GLY 0.001 0.001 1 0 "[ . 1 . 2]"
1 38 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 39 SER 0.108 0.040 18 0 "[ . 1 . 2]"
1 40 ALA 0.132 0.040 18 0 "[ . 1 . 2]"
1 41 ALA 0.034 0.022 5 0 "[ . 1 . 2]"
1 42 PRO 0.048 0.022 5 0 "[ . 1 . 2]"
1 43 ILE 0.018 0.009 3 0 "[ . 1 . 2]"
1 44 SER 0.430 0.027 3 0 "[ . 1 . 2]"
1 45 LEU 3.256 0.075 4 0 "[ . 1 . 2]"
1 46 ALA 0.168 0.017 11 0 "[ . 1 . 2]"
1 47 LEU 0.517 0.095 12 0 "[ . 1 . 2]"
1 48 ASN 0.623 0.044 11 0 "[ . 1 . 2]"
1 49 ALA 1.156 0.063 7 0 "[ . 1 . 2]"
1 50 GLU 1.771 0.106 16 0 "[ . 1 . 2]"
1 51 SER 0.142 0.021 9 0 "[ . 1 . 2]"
1 52 ASN 2.878 0.063 7 0 "[ . 1 . 2]"
1 53 ASN 1.362 0.053 15 0 "[ . 1 . 2]"
1 54 VAL 1.604 0.060 10 0 "[ . 1 . 2]"
1 55 MET 2.196 0.048 7 0 "[ . 1 . 2]"
1 56 MET 1.369 0.045 5 0 "[ . 1 . 2]"
1 57 LEU 5.521 0.083 1 0 "[ . 1 . 2]"
1 58 THR 0.155 0.017 3 0 "[ . 1 . 2]"
1 59 HIS 4.645 0.083 1 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.238 0.035 15 0 "[ . 1 . 2]"
1 62 THR 0.585 0.035 14 0 "[ . 1 . 2]"
1 63 ARG 1.178 0.086 15 0 "[ . 1 . 2]"
1 64 TYR 0.876 0.033 20 0 "[ . 1 . 2]"
1 65 GLY 1.067 0.071 2 0 "[ . 1 . 2]"
1 66 ILE 1.553 0.096 12 0 "[ . 1 . 2]"
1 67 SER 0.654 0.042 7 0 "[ . 1 . 2]"
1 68 THR 0.527 0.044 15 0 "[ . 1 . 2]"
1 69 ASP 0.516 0.048 6 0 "[ . 1 . 2]"
1 70 ASP 0.547 0.030 4 0 "[ . 1 . 2]"
1 71 PRO 0.810 0.045 20 0 "[ . 1 . 2]"
1 72 ASN 2.790 0.105 15 0 "[ . 1 . 2]"
1 73 LYS 1.898 0.078 15 0 "[ . 1 . 2]"
1 74 TRP 9.227 0.105 15 0 "[ . 1 . 2]"
1 75 ARG 1.885 0.119 7 0 "[ . 1 . 2]"
1 76 TYR 1.734 0.070 19 0 "[ . 1 . 2]"
1 77 TYR 4.762 0.119 7 0 "[ . 1 . 2]"
1 78 LEU 0.998 0.059 8 0 "[ . 1 . 2]"
1 79 ASP 0.702 0.030 18 0 "[ . 1 . 2]"
1 80 SER 1.147 0.071 16 0 "[ . 1 . 2]"
1 81 VAL 0.627 0.044 8 0 "[ . 1 . 2]"
1 82 GLU 0.005 0.005 20 0 "[ . 1 . 2]"
1 83 VAL 1.214 0.075 4 0 "[ . 1 . 2]"
1 84 HIS 7.860 0.105 5 0 "[ . 1 . 2]"
1 85 LEU 5.347 0.113 8 0 "[ . 1 . 2]"
1 86 PRO 2.955 0.095 10 0 "[ . 1 . 2]"
1 87 PRO 2.616 0.064 12 0 "[ . 1 . 2]"
1 88 PHE 1.621 0.075 17 0 "[ . 1 . 2]"
1 89 TRP 12.974 0.113 8 0 "[ . 1 . 2]"
1 90 GLU 0.728 0.057 5 0 "[ . 1 . 2]"
1 91 GLN 0.521 0.044 20 0 "[ . 1 . 2]"
1 92 TYR 3.542 0.088 2 0 "[ . 1 . 2]"
1 93 ILE 0.867 0.050 15 0 "[ . 1 . 2]"
1 94 ASN 2.718 0.108 13 0 "[ . 1 . 2]"
1 95 ASP 0.001 0.001 9 0 "[ . 1 . 2]"
1 96 GLU 0.072 0.016 13 0 "[ . 1 . 2]"
1 97 ASN 2.920 0.108 13 0 "[ . 1 . 2]"
1 98 THR 1.238 0.091 14 0 "[ . 1 . 2]"
1 99 VAL 0.722 0.043 13 0 "[ . 1 . 2]"
1 100 GLU 1.841 0.082 3 0 "[ . 1 . 2]"
1 101 LEU 3.944 0.082 3 0 "[ . 1 . 2]"
1 102 ILE 0.281 0.032 2 0 "[ . 1 . 2]"
1 103 HIS 3.952 0.106 16 0 "[ . 1 . 2]"
1 104 THR 2.469 0.110 3 0 "[ . 1 . 2]"
1 105 ASP 0.851 0.073 20 0 "[ . 1 . 2]"
1 106 SER 2.579 0.110 3 0 "[ . 1 . 2]"
1 107 LEU 1.522 0.046 2 0 "[ . 1 . 2]"
1 108 PRO 2.559 0.115 8 0 "[ . 1 . 2]"
1 109 LEU 7.762 0.115 8 0 "[ . 1 . 2]"
1 110 VAL 1.310 0.057 15 0 "[ . 1 . 2]"
1 111 ILE 0.153 0.028 3 0 "[ . 1 . 2]"
1 112 SER 0.675 0.032 13 0 "[ . 1 . 2]"
1 113 LEU 3.361 0.080 2 0 "[ . 1 . 2]"
1 114 ASN 1.603 0.056 5 0 "[ . 1 . 2]"
1 115 GLY 1.017 0.080 2 0 "[ . 1 . 2]"
1 116 HIS 1.899 0.087 20 0 "[ . 1 . 2]"
1 117 THR 2.420 0.087 20 0 "[ . 1 . 2]"
1 118 LEU 2.938 0.144 11 0 "[ . 1 . 2]"
1 119 GLN 3.478 0.157 11 0 "[ . 1 . 2]"
1 120 GLU 0.479 0.041 1 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 PHE H 1 3 PHE HB3 4.000 . 4.750 3.753 3.679 3.894 . 0 0 "[ . 1 . 2]" 1
2 1 3 PHE H 1 3 PHE HB2 3.000 . 3.500 2.754 2.604 2.923 . 0 0 "[ . 1 . 2]" 1
3 1 3 PHE H 1 3 PHE QD 4.000 . 4.750 3.301 3.121 3.555 . 0 0 "[ . 1 . 2]" 1
4 1 3 PHE H 1 3 PHE QE 5.000 . 6.000 4.638 4.352 4.929 . 0 0 "[ . 1 . 2]" 1
5 1 3 PHE HA 1 3 PHE HB3 3.000 . 3.500 2.368 2.335 2.420 . 0 0 "[ . 1 . 2]" 1
6 1 3 PHE HA 1 3 PHE QD 4.000 . 4.750 2.261 2.089 2.364 . 0 0 "[ . 1 . 2]" 1
7 1 3 PHE HA 1 3 PHE QE 5.000 . 6.000 4.564 4.435 4.646 . 0 0 "[ . 1 . 2]" 1
8 1 3 PHE HB3 1 3 PHE QD 3.000 . 3.500 2.732 2.689 2.760 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE HB2 1 3 PHE QD 3.000 . 3.500 2.302 2.271 2.368 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA H 1 4 ALA HA 3.000 . 3.500 2.861 2.858 2.863 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA H 1 4 ALA MB 3.000 . 3.500 2.187 2.066 2.259 . 0 0 "[ . 1 . 2]" 1
12 1 5 ASP H 1 5 ASP HA 3.000 . 3.500 2.935 2.901 2.948 . 0 0 "[ . 1 . 2]" 1
13 1 5 ASP H 1 5 ASP QB 3.000 . 3.500 2.393 2.151 2.607 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLN H 1 7 GLN QB 3.000 . 3.500 2.121 2.042 2.258 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLN H 1 7 GLN QG 4.000 . 4.750 3.465 2.857 4.041 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLN QB 1 7 GLN HE22 4.000 . 4.750 3.525 3.171 4.384 . 0 0 "[ . 1 . 2]" 1
17 1 8 THR H 1 8 THR HB 4.000 . 4.750 3.505 3.440 3.662 . 0 0 "[ . 1 . 2]" 1
18 1 8 THR H 1 8 THR MG 4.000 . 4.750 3.863 3.745 3.920 . 0 0 "[ . 1 . 2]" 1
19 1 9 ARG H 1 9 ARG QB 3.000 . 3.500 2.976 2.677 3.267 . 0 0 "[ . 1 . 2]" 1
20 1 9 ARG H 1 9 ARG QG 4.000 . 4.750 3.599 2.593 4.235 . 0 0 "[ . 1 . 2]" 1
21 1 9 ARG H 1 9 ARG QD 5.000 . 6.000 4.762 3.833 5.381 . 0 0 "[ . 1 . 2]" 1
22 1 9 ARG HA 1 9 ARG HE 5.000 . 6.000 5.416 4.806 5.936 . 0 0 "[ . 1 . 2]" 1
23 1 9 ARG QB 1 9 ARG HE 4.000 . 4.750 3.120 2.150 3.860 . 0 0 "[ . 1 . 2]" 1
24 1 9 ARG QB 1 9 ARG QD 3.000 . 3.500 2.153 1.942 2.356 . 0 0 "[ . 1 . 2]" 1
25 1 10 LYS H 1 10 LYS QB 3.000 . 3.500 2.115 2.106 2.167 . 0 0 "[ . 1 . 2]" 1
26 1 10 LYS H 1 10 LYS QG 3.000 . 3.500 3.557 3.541 3.582 0.082 19 0 "[ . 1 . 2]" 1
27 1 10 LYS HA 1 10 LYS QD 4.000 . 4.750 3.935 3.862 4.015 . 0 0 "[ . 1 . 2]" 1
28 1 10 LYS QB 1 10 LYS QD 3.000 . 3.500 2.139 2.075 2.370 . 0 0 "[ . 1 . 2]" 1
29 1 10 LYS QB 1 10 LYS QE 4.000 . 4.750 3.074 2.055 3.660 . 0 0 "[ . 1 . 2]" 1
30 1 11 LEU H 1 11 LEU HB3 3.000 . 3.500 2.615 2.557 2.668 . 0 0 "[ . 1 . 2]" 1
31 1 11 LEU H 1 11 LEU HB2 3.000 . 3.500 2.434 2.326 2.555 . 0 0 "[ . 1 . 2]" 1
32 1 11 LEU H 1 11 LEU HG 4.000 . 4.750 4.572 4.547 4.595 . 0 0 "[ . 1 . 2]" 1
33 1 11 LEU H 1 11 LEU MD1 5.000 . 6.000 3.963 3.876 4.063 . 0 0 "[ . 1 . 2]" 1
34 1 11 LEU H 1 11 LEU MD2 5.000 . 6.000 4.203 4.077 4.276 . 0 0 "[ . 1 . 2]" 1
35 1 11 LEU HA 1 11 LEU HG 4.000 . 4.750 3.254 3.166 3.350 . 0 0 "[ . 1 . 2]" 1
36 1 11 LEU HA 1 11 LEU MD1 4.000 . 4.750 1.928 1.847 1.991 . 0 0 "[ . 1 . 2]" 1
37 1 11 LEU HA 1 11 LEU MD2 4.000 . 4.750 3.695 3.605 3.760 . 0 0 "[ . 1 . 2]" 1
38 1 11 LEU HB3 1 11 LEU HG 3.000 . 3.500 2.344 2.300 2.381 . 0 0 "[ . 1 . 2]" 1
39 1 11 LEU HB3 1 11 LEU MD2 3.000 . 3.500 2.510 2.361 2.648 . 0 0 "[ . 1 . 2]" 1
40 1 11 LEU HB2 1 11 LEU HG 3.000 . 3.500 3.000 2.978 3.014 . 0 0 "[ . 1 . 2]" 1
41 1 11 LEU HB2 1 11 LEU MD2 3.000 . 3.500 2.195 2.040 2.304 . 0 0 "[ . 1 . 2]" 1
42 1 12 THR H 1 12 THR HB 4.000 . 4.750 3.617 3.585 3.650 . 0 0 "[ . 1 . 2]" 1
43 1 12 THR H 1 12 THR MG 4.000 . 4.750 2.030 1.938 2.186 . 0 0 "[ . 1 . 2]" 1
44 1 14 GLU H 1 14 GLU QB 3.000 . 3.500 2.155 2.056 2.576 . 0 0 "[ . 1 . 2]" 1
45 1 14 GLU H 1 14 GLU QG 4.000 . 4.750 3.576 1.957 4.054 . 0 0 "[ . 1 . 2]" 1
46 1 14 GLU HA 1 14 GLU QG 3.000 . 3.500 2.292 2.013 3.341 . 0 0 "[ . 1 . 2]" 1
47 1 15 GLU H 1 15 GLU QG 4.000 . 4.750 2.421 2.005 2.865 . 0 0 "[ . 1 . 2]" 1
48 1 16 ARG H 1 16 ARG QB 3.000 . 3.500 2.122 2.049 2.263 . 0 0 "[ . 1 . 2]" 1
49 1 16 ARG H 1 16 ARG QG 4.000 . 4.750 3.624 3.189 4.017 . 0 0 "[ . 1 . 2]" 1
50 1 16 ARG H 1 16 ARG QD 5.000 . 6.000 4.589 4.339 4.853 . 0 0 "[ . 1 . 2]" 1
51 1 16 ARG QB 1 16 ARG HE 3.000 . 3.500 3.043 2.390 3.502 0.002 7 0 "[ . 1 . 2]" 1
52 1 17 SER H 1 17 SER HA 3.000 . 3.500 2.838 2.816 2.858 . 0 0 "[ . 1 . 2]" 1
53 1 17 SER H 1 17 SER QB 3.000 . 3.500 2.264 2.117 2.569 . 0 0 "[ . 1 . 2]" 1
54 1 18 ALA H 1 18 ALA HA 3.000 . 3.500 2.826 2.801 2.855 . 0 0 "[ . 1 . 2]" 1
55 1 18 ALA H 1 18 ALA MB 3.000 . 3.500 2.107 2.025 2.228 . 0 0 "[ . 1 . 2]" 1
56 1 19 VAL H 1 19 VAL HB 3.000 . 3.500 2.506 2.363 2.559 . 0 0 "[ . 1 . 2]" 1
57 1 20 GLU H 1 20 GLU QB 3.000 . 3.500 2.211 2.048 2.383 . 0 0 "[ . 1 . 2]" 1
58 1 20 GLU H 1 20 GLU QG 3.000 . 3.500 2.818 2.400 3.344 . 0 0 "[ . 1 . 2]" 1
59 1 21 ASN H 1 21 ASN HD21 5.000 . 6.000 3.614 3.335 3.730 . 0 0 "[ . 1 . 2]" 1
60 1 21 ASN H 1 21 ASN HD22 5.000 . 6.000 4.458 3.865 5.077 . 0 0 "[ . 1 . 2]" 1
61 1 21 ASN H 1 21 ASN QB 3.000 . 3.500 2.260 2.050 2.451 . 0 0 "[ . 1 . 2]" 1
62 1 21 ASN QB 1 21 ASN HD22 3.000 . 3.500 3.221 3.205 3.267 . 0 0 "[ . 1 . 2]" 1
63 1 22 TYR H 1 22 TYR HB3 3.000 . 3.500 2.201 2.125 2.273 . 0 0 "[ . 1 . 2]" 1
64 1 22 TYR H 1 22 TYR HB2 3.000 . 3.500 2.882 2.761 3.000 . 0 0 "[ . 1 . 2]" 1
65 1 22 TYR H 1 22 TYR QD 4.000 . 4.750 4.033 3.942 4.106 . 0 0 "[ . 1 . 2]" 1
66 1 22 TYR H 1 22 TYR QE 5.000 . 6.000 6.059 5.973 6.121 0.121 20 0 "[ . 1 . 2]" 1
67 1 22 TYR HA 1 22 TYR HB2 3.000 . 3.500 2.329 2.291 2.367 . 0 0 "[ . 1 . 2]" 1
68 1 22 TYR HA 1 22 TYR QD 4.000 . 4.750 2.664 2.458 2.903 . 0 0 "[ . 1 . 2]" 1
69 1 22 TYR HA 1 22 TYR QE 5.000 . 6.000 4.788 4.649 4.926 . 0 0 "[ . 1 . 2]" 1
70 1 22 TYR HB3 1 22 TYR QD 3.000 . 3.500 2.282 2.267 2.335 . 0 0 "[ . 1 . 2]" 1
71 1 22 TYR HB2 1 22 TYR QD 3.000 . 3.500 2.592 2.468 2.672 . 0 0 "[ . 1 . 2]" 1
72 1 23 LEU H 1 23 LEU HA 3.000 . 3.500 2.834 2.812 2.858 . 0 0 "[ . 1 . 2]" 1
73 1 23 LEU H 1 23 LEU HB3 4.000 . 4.750 3.576 3.560 3.591 . 0 0 "[ . 1 . 2]" 1
74 1 23 LEU H 1 23 LEU HB2 3.000 . 3.500 2.704 2.378 2.843 . 0 0 "[ . 1 . 2]" 1
75 1 23 LEU H 1 23 LEU HG 3.000 . 3.500 2.067 1.925 2.496 . 0 0 "[ . 1 . 2]" 1
76 1 23 LEU H 1 23 LEU QD 4.000 . 4.750 2.599 2.319 3.075 . 0 0 "[ . 1 . 2]" 1
77 1 23 LEU HA 1 23 LEU HG 3.000 . 3.500 3.268 2.715 3.525 0.025 15 0 "[ . 1 . 2]" 1
78 1 23 LEU HA 1 23 LEU QD 4.000 . 4.750 2.281 2.077 2.667 . 0 0 "[ . 1 . 2]" 1
79 1 23 LEU HB3 1 23 LEU HG 3.000 . 3.500 2.999 2.959 3.014 . 0 0 "[ . 1 . 2]" 1
80 1 23 LEU HB3 1 23 LEU QD 3.000 . 3.500 2.052 1.938 2.151 . 0 0 "[ . 1 . 2]" 1
81 1 23 LEU HB2 1 23 LEU HG 3.000 . 3.500 2.488 2.376 2.690 . 0 0 "[ . 1 . 2]" 1
82 1 23 LEU HB2 1 23 LEU QD 3.000 . 3.500 2.257 1.992 2.397 . 0 0 "[ . 1 . 2]" 1
83 1 24 GLU H 1 24 GLU HA 3.000 . 3.500 2.821 2.810 2.840 . 0 0 "[ . 1 . 2]" 1
84 1 24 GLU H 1 24 GLU QB 3.000 . 3.500 2.207 2.101 2.282 . 0 0 "[ . 1 . 2]" 1
85 1 24 GLU H 1 24 GLU QG 4.000 . 4.750 3.362 2.541 4.006 . 0 0 "[ . 1 . 2]" 1
86 1 24 GLU HA 1 24 GLU QG 3.000 . 3.500 2.285 2.068 2.676 . 0 0 "[ . 1 . 2]" 1
87 1 25 SER H 1 25 SER HA 3.000 . 3.500 2.834 2.823 2.847 . 0 0 "[ . 1 . 2]" 1
88 1 25 SER H 1 25 SER QB 3.000 . 3.500 2.211 2.127 2.328 . 0 0 "[ . 1 . 2]" 1
89 1 26 LEU H 1 26 LEU HB3 4.000 . 4.750 3.428 3.355 3.502 . 0 0 "[ . 1 . 2]" 1
90 1 26 LEU H 1 26 LEU HB2 3.000 . 3.500 2.115 2.053 2.216 . 0 0 "[ . 1 . 2]" 1
91 1 26 LEU H 1 26 LEU HG 3.000 . 3.500 3.030 2.733 3.269 . 0 0 "[ . 1 . 2]" 1
92 1 26 LEU H 1 26 LEU MD1 5.000 . 6.000 3.729 3.420 4.031 . 0 0 "[ . 1 . 2]" 1
93 1 26 LEU H 1 26 LEU MD2 5.000 . 6.000 3.972 3.887 4.117 . 0 0 "[ . 1 . 2]" 1
94 1 26 LEU HA 1 26 LEU HG 3.000 . 3.500 2.627 2.444 2.776 . 0 0 "[ . 1 . 2]" 1
95 1 26 LEU HA 1 26 LEU MD2 4.000 . 4.750 2.096 1.932 2.405 . 0 0 "[ . 1 . 2]" 1
96 1 26 LEU HB2 1 26 LEU HG 3.000 . 3.500 2.496 2.388 2.590 . 0 0 "[ . 1 . 2]" 1
97 1 27 THR H 1 27 THR HB 4.000 . 4.750 3.334 2.741 3.630 . 0 0 "[ . 1 . 2]" 1
98 1 27 THR H 1 27 THR MG 4.000 . 4.750 2.883 1.940 3.722 . 0 0 "[ . 1 . 2]" 1
99 1 28 GLN H 1 28 GLN HA 3.000 . 3.500 2.867 2.786 2.936 . 0 0 "[ . 1 . 2]" 1
100 1 28 GLN H 1 28 GLN QB 3.000 . 3.500 2.375 2.226 2.711 . 0 0 "[ . 1 . 2]" 1
101 1 28 GLN H 1 28 GLN QG 4.000 . 4.750 3.346 2.181 4.037 . 0 0 "[ . 1 . 2]" 1
102 1 29 VAL H 1 29 VAL HB 3.000 . 3.500 2.604 2.487 2.753 . 0 0 "[ . 1 . 2]" 1
103 1 29 VAL HA 1 29 VAL HB 3.000 . 3.500 3.021 3.012 3.025 . 0 0 "[ . 1 . 2]" 1
104 1 30 LEU H 1 30 LEU HG 3.000 . 3.500 2.977 2.413 3.397 . 0 0 "[ . 1 . 2]" 1
105 1 30 LEU H 1 30 LEU MD1 5.000 . 6.000 3.628 2.812 4.340 . 0 0 "[ . 1 . 2]" 1
106 1 30 LEU H 1 30 LEU MD2 5.000 . 6.000 4.099 3.168 4.428 . 0 0 "[ . 1 . 2]" 1
107 1 30 LEU H 1 30 LEU QB 3.000 . 3.500 2.819 2.173 3.412 . 0 0 "[ . 1 . 2]" 1
108 1 30 LEU HA 1 30 LEU HG 3.000 . 3.500 2.787 2.423 3.548 0.048 3 0 "[ . 1 . 2]" 1
109 1 30 LEU HA 1 30 LEU MD2 4.000 . 4.750 2.622 1.971 3.650 . 0 0 "[ . 1 . 2]" 1
110 1 30 LEU QB 1 30 LEU MD1 3.000 . 3.500 2.027 1.924 2.101 . 0 0 "[ . 1 . 2]" 1
111 1 30 LEU QB 1 30 LEU MD2 3.000 . 3.500 2.109 1.929 2.276 . 0 0 "[ . 1 . 2]" 1
112 1 31 GLN H 1 31 GLN HA 3.000 . 3.500 2.864 2.272 2.947 . 0 0 "[ . 1 . 2]" 1
113 1 31 GLN H 1 31 GLN HE22 5.000 . 6.000 5.363 3.494 6.000 0.000 4 0 "[ . 1 . 2]" 1
114 1 31 GLN H 1 31 GLN QB 3.000 . 3.500 2.572 2.051 3.385 . 0 0 "[ . 1 . 2]" 1
115 1 31 GLN H 1 31 GLN QG 4.000 . 4.750 3.466 2.168 4.323 . 0 0 "[ . 1 . 2]" 1
116 1 32 VAL H 1 32 VAL HB 4.000 . 4.750 3.790 3.040 4.021 . 0 0 "[ . 1 . 2]" 1
117 1 36 THR H 1 36 THR HB 4.000 . 4.750 3.517 2.605 3.963 . 0 0 "[ . 1 . 2]" 1
118 1 36 THR HA 1 36 THR HB 3.000 . 3.500 2.646 2.315 3.021 . 0 0 "[ . 1 . 2]" 1
119 1 40 ALA H 1 40 ALA HA 3.000 . 3.500 2.814 2.275 2.948 . 0 0 "[ . 1 . 2]" 1
120 1 43 ILE H 1 43 ILE HB 3.000 . 3.500 2.989 2.373 3.425 . 0 0 "[ . 1 . 2]" 1
121 1 43 ILE H 1 43 ILE MD 4.000 . 4.750 3.908 2.342 4.434 . 0 0 "[ . 1 . 2]" 1
122 1 43 ILE HA 1 43 ILE MD 4.000 . 4.750 2.308 1.937 3.160 . 0 0 "[ . 1 . 2]" 1
123 1 45 LEU H 1 45 LEU HA 3.000 . 3.500 2.916 2.806 2.953 . 0 0 "[ . 1 . 2]" 1
124 1 45 LEU H 1 45 LEU HG 3.000 . 3.500 2.546 1.786 3.548 0.048 4 0 "[ . 1 . 2]" 1
125 1 45 LEU H 1 45 LEU MD1 5.000 . 6.000 2.222 1.848 3.678 . 0 0 "[ . 1 . 2]" 1
126 1 45 LEU H 1 45 LEU MD2 5.000 . 6.000 2.812 1.804 3.638 . 0 0 "[ . 1 . 2]" 1
127 1 45 LEU H 1 45 LEU QB 3.000 . 3.500 3.024 2.838 3.113 . 0 0 "[ . 1 . 2]" 1
128 1 45 LEU HA 1 45 LEU HG 4.000 . 4.750 3.776 3.362 4.260 . 0 0 "[ . 1 . 2]" 1
129 1 45 LEU HA 1 45 LEU MD2 4.000 . 4.750 3.732 3.044 4.036 . 0 0 "[ . 1 . 2]" 1
130 1 45 LEU QB 1 45 LEU MD1 3.000 . 3.500 2.201 2.063 2.346 . 0 0 "[ . 1 . 2]" 1
131 1 45 LEU QB 1 45 LEU MD2 3.000 . 3.500 2.157 1.958 2.432 . 0 0 "[ . 1 . 2]" 1
132 1 47 LEU H 1 47 LEU HG 4.000 . 4.750 3.000 1.990 4.025 . 0 0 "[ . 1 . 2]" 1
133 1 47 LEU HA 1 47 LEU HG 3.000 . 3.500 2.607 2.141 3.595 0.095 12 0 "[ . 1 . 2]" 1
134 1 47 LEU HA 1 47 LEU QD 4.000 . 4.750 2.624 1.878 3.114 . 0 0 "[ . 1 . 2]" 1
135 1 48 ASN H 1 48 ASN HB3 4.000 . 4.750 3.665 3.543 3.789 . 0 0 "[ . 1 . 2]" 1
136 1 48 ASN H 1 48 ASN HB2 3.000 . 3.500 2.572 2.379 2.686 . 0 0 "[ . 1 . 2]" 1
137 1 48 ASN H 1 48 ASN HD21 5.000 . 6.000 5.066 4.814 5.371 . 0 0 "[ . 1 . 2]" 1
138 1 48 ASN H 1 48 ASN HD22 5.000 . 6.000 5.662 5.392 5.938 . 0 0 "[ . 1 . 2]" 1
139 1 48 ASN HA 1 48 ASN HD22 5.000 . 6.000 4.463 4.354 4.599 . 0 0 "[ . 1 . 2]" 1
140 1 48 ASN HB3 1 48 ASN HD22 4.000 . 4.750 3.574 3.498 3.685 . 0 0 "[ . 1 . 2]" 1
141 1 48 ASN HB2 1 48 ASN HD22 4.000 . 4.750 3.642 3.529 3.744 . 0 0 "[ . 1 . 2]" 1
142 1 50 GLU H 1 50 GLU QB 3.000 . 3.500 2.103 2.050 2.153 . 0 0 "[ . 1 . 2]" 1
143 1 52 ASN H 1 52 ASN HB3 4.000 . 4.750 3.644 3.630 3.659 . 0 0 "[ . 1 . 2]" 1
144 1 52 ASN H 1 52 ASN HB2 3.000 . 3.500 2.637 2.518 2.744 . 0 0 "[ . 1 . 2]" 1
145 1 52 ASN HB3 1 52 ASN HD22 4.000 . 4.750 3.441 3.428 3.488 . 0 0 "[ . 1 . 2]" 1
146 1 52 ASN HB2 1 52 ASN HD22 4.000 . 4.750 3.882 3.752 4.036 . 0 0 "[ . 1 . 2]" 1
147 1 53 ASN H 1 53 ASN HB3 4.000 . 4.750 3.708 3.606 3.855 . 0 0 "[ . 1 . 2]" 1
148 1 53 ASN H 1 53 ASN HB2 4.000 . 4.750 2.752 2.673 2.876 . 0 0 "[ . 1 . 2]" 1
149 1 53 ASN HA 1 53 ASN HD22 5.000 . 6.000 4.821 4.510 4.881 . 0 0 "[ . 1 . 2]" 1
150 1 53 ASN HB3 1 53 ASN HD22 4.000 . 4.750 3.914 3.804 4.087 . 0 0 "[ . 1 . 2]" 1
151 1 53 ASN HB2 1 53 ASN HD22 4.000 . 4.750 3.436 3.422 3.534 . 0 0 "[ . 1 . 2]" 1
152 1 54 VAL H 1 54 VAL HB 3.000 . 3.500 2.586 2.534 2.672 . 0 0 "[ . 1 . 2]" 1
153 1 55 MET H 1 55 MET HB3 4.000 . 4.750 3.410 3.368 3.465 . 0 0 "[ . 1 . 2]" 1
154 1 55 MET H 1 55 MET HB2 3.000 . 3.500 2.325 2.198 2.389 . 0 0 "[ . 1 . 2]" 1
155 1 55 MET H 1 55 MET QG 4.000 . 4.750 3.870 3.457 4.062 . 0 0 "[ . 1 . 2]" 1
156 1 55 MET HA 1 55 MET ME 4.000 . 4.750 4.188 3.489 4.590 . 0 0 "[ . 1 . 2]" 1
157 1 55 MET HB3 1 55 MET ME 4.000 . 4.750 4.044 3.513 4.283 . 0 0 "[ . 1 . 2]" 1
158 1 55 MET HB2 1 55 MET ME 4.000 . 4.750 3.873 3.311 4.305 . 0 0 "[ . 1 . 2]" 1
159 1 56 MET H 1 56 MET HA 3.000 . 3.500 2.944 2.940 2.950 . 0 0 "[ . 1 . 2]" 1
160 1 56 MET H 1 56 MET HB3 4.000 . 4.750 3.687 3.651 3.727 . 0 0 "[ . 1 . 2]" 1
161 1 56 MET H 1 56 MET HB2 3.000 . 3.500 2.714 2.429 3.076 . 0 0 "[ . 1 . 2]" 1
162 1 56 MET H 1 56 MET QG 4.000 . 4.750 2.671 1.908 3.336 . 0 0 "[ . 1 . 2]" 1
163 1 56 MET HA 1 56 MET ME 5.000 . 6.000 3.735 3.287 4.156 . 0 0 "[ . 1 . 2]" 1
164 1 56 MET HB3 1 56 MET ME 4.000 . 4.750 3.962 3.477 4.291 . 0 0 "[ . 1 . 2]" 1
165 1 56 MET HB2 1 56 MET ME 4.000 . 4.750 3.760 2.917 4.283 . 0 0 "[ . 1 . 2]" 1
166 1 56 MET ME 1 56 MET QG 3.000 . 3.500 2.128 2.008 2.272 . 0 0 "[ . 1 . 2]" 1
167 1 57 LEU H 1 57 LEU HG 4.000 . 4.750 2.605 2.520 2.678 . 0 0 "[ . 1 . 2]" 1
168 1 57 LEU H 1 57 LEU MD1 5.000 . 6.000 4.154 4.093 4.209 . 0 0 "[ . 1 . 2]" 1
169 1 57 LEU H 1 57 LEU MD2 5.000 . 6.000 2.984 2.887 3.076 . 0 0 "[ . 1 . 2]" 1
170 1 57 LEU QB 1 57 LEU MD2 3.000 . 3.500 2.017 1.927 2.109 . 0 0 "[ . 1 . 2]" 1
171 1 58 THR H 1 58 THR HB 3.000 . 3.500 2.830 2.719 3.017 . 0 0 "[ . 1 . 2]" 1
172 1 58 THR H 1 58 THR MG 4.000 . 4.750 1.994 1.924 2.125 . 0 0 "[ . 1 . 2]" 1
173 1 59 HIS H 1 59 HIS HB3 4.000 . 4.750 3.291 3.206 3.318 . 0 0 "[ . 1 . 2]" 1
174 1 59 HIS H 1 59 HIS HB2 4.000 . 4.750 2.928 2.914 2.939 . 0 0 "[ . 1 . 2]" 1
175 1 59 HIS H 1 59 HIS HD2 5.000 . 6.000 5.376 5.360 5.405 . 0 0 "[ . 1 . 2]" 1
176 1 59 HIS HA 1 59 HIS HD2 4.000 . 4.750 3.954 3.903 4.018 . 0 0 "[ . 1 . 2]" 1
177 1 59 HIS HB3 1 59 HIS HD2 4.000 . 4.750 3.702 3.670 3.717 . 0 0 "[ . 1 . 2]" 1
178 1 59 HIS HB2 1 59 HIS HD2 4.000 . 4.750 2.670 2.663 2.674 . 0 0 "[ . 1 . 2]" 1
179 1 61 ILE H 1 61 ILE HB 4.000 . 4.750 2.791 2.599 3.090 . 0 0 "[ . 1 . 2]" 1
180 1 61 ILE H 1 61 ILE MD 5.000 . 6.000 2.971 2.565 3.875 . 0 0 "[ . 1 . 2]" 1
181 1 62 THR H 1 62 THR HB 4.000 . 4.750 3.059 2.950 3.117 . 0 0 "[ . 1 . 2]" 1
182 1 62 THR H 1 62 THR MG 4.000 . 4.750 3.687 3.625 3.857 . 0 0 "[ . 1 . 2]" 1
183 1 63 ARG H 1 63 ARG QB 3.000 . 3.500 2.437 2.293 2.523 . 0 0 "[ . 1 . 2]" 1
184 1 63 ARG H 1 63 ARG QG 4.000 . 4.750 3.989 3.586 4.121 . 0 0 "[ . 1 . 2]" 1
185 1 63 ARG H 1 63 ARG QD 5.000 . 6.000 4.648 4.177 5.131 . 0 0 "[ . 1 . 2]" 1
186 1 63 ARG HA 1 63 ARG HE 5.000 . 6.000 4.915 3.926 5.478 . 0 0 "[ . 1 . 2]" 1
187 1 64 TYR H 1 64 TYR HB3 4.000 . 4.750 3.636 3.591 3.689 . 0 0 "[ . 1 . 2]" 1
188 1 64 TYR H 1 64 TYR HB2 3.000 . 3.500 2.429 2.360 2.507 . 0 0 "[ . 1 . 2]" 1
189 1 64 TYR H 1 64 TYR QD 4.000 . 4.750 2.878 2.662 3.086 . 0 0 "[ . 1 . 2]" 1
190 1 64 TYR HA 1 64 TYR HB3 3.000 . 3.500 2.597 2.568 2.631 . 0 0 "[ . 1 . 2]" 1
191 1 64 TYR HA 1 64 TYR QD 4.000 . 4.750 3.051 2.946 3.116 . 0 0 "[ . 1 . 2]" 1
192 1 64 TYR HB3 1 64 TYR QD 3.000 . 3.500 2.339 2.297 2.394 . 0 0 "[ . 1 . 2]" 1
193 1 64 TYR HB2 1 64 TYR QD 3.000 . 3.500 2.473 2.400 2.547 . 0 0 "[ . 1 . 2]" 1
194 1 66 ILE H 1 66 ILE HB 4.000 . 4.750 3.766 3.005 3.979 . 0 0 "[ . 1 . 2]" 1
195 1 66 ILE H 1 66 ILE MD 5.000 . 6.000 2.972 1.868 3.600 . 0 0 "[ . 1 . 2]" 1
196 1 66 ILE HA 1 66 ILE HB 3.000 . 3.500 2.550 2.408 2.981 . 0 0 "[ . 1 . 2]" 1
197 1 68 THR H 1 68 THR HB 4.000 . 4.750 3.095 3.051 3.184 . 0 0 "[ . 1 . 2]" 1
198 1 72 ASN H 1 72 ASN HA 3.000 . 3.500 2.883 2.849 2.909 . 0 0 "[ . 1 . 2]" 1
199 1 72 ASN H 1 72 ASN HD21 5.000 . 6.000 3.777 1.995 4.986 . 0 0 "[ . 1 . 2]" 1
200 1 72 ASN H 1 72 ASN HD22 4.000 . 4.750 4.631 3.688 4.829 0.079 20 0 "[ . 1 . 2]" 1
201 1 72 ASN HA 1 72 ASN HD22 5.000 . 6.000 4.600 3.656 5.367 . 0 0 "[ . 1 . 2]" 1
202 1 73 LYS H 1 73 LYS QG 4.000 . 4.750 3.997 3.978 4.015 . 0 0 "[ . 1 . 2]" 1
203 1 73 LYS HA 1 73 LYS QG 3.000 . 3.500 2.772 2.725 2.934 . 0 0 "[ . 1 . 2]" 1
204 1 73 LYS QB 1 73 LYS QD 3.000 . 3.500 2.048 1.913 2.448 . 0 0 "[ . 1 . 2]" 1
205 1 73 LYS QB 1 73 LYS QE 4.000 . 4.750 3.155 1.925 3.510 . 0 0 "[ . 1 . 2]" 1
206 1 74 TRP H 1 74 TRP HB3 4.000 . 4.750 3.830 3.794 3.883 . 0 0 "[ . 1 . 2]" 1
207 1 74 TRP H 1 74 TRP HB2 3.000 . 3.500 2.745 2.688 2.841 . 0 0 "[ . 1 . 2]" 1
208 1 74 TRP H 1 74 TRP HD1 4.000 . 4.750 4.272 4.239 4.311 . 0 0 "[ . 1 . 2]" 1
209 1 74 TRP H 1 74 TRP HE1 5.000 . 6.000 6.006 5.986 6.040 0.040 14 0 "[ . 1 . 2]" 1
210 1 74 TRP H 1 74 TRP HE3 4.000 . 4.750 4.788 4.772 4.807 0.057 19 0 "[ . 1 . 2]" 1
211 1 74 TRP HA 1 74 TRP HD1 4.000 . 4.750 2.180 2.080 2.277 . 0 0 "[ . 1 . 2]" 1
212 1 74 TRP HA 1 74 TRP HE1 5.000 . 6.000 4.660 4.558 4.743 . 0 0 "[ . 1 . 2]" 1
213 1 74 TRP HA 1 74 TRP HE3 5.000 . 6.000 5.151 5.127 5.173 . 0 0 "[ . 1 . 2]" 1
214 1 74 TRP HB3 1 74 TRP HE3 4.000 . 4.750 3.404 3.344 3.482 . 0 0 "[ . 1 . 2]" 1
215 1 74 TRP HB2 1 74 TRP HE1 5.000 . 6.000 5.240 5.231 5.250 . 0 0 "[ . 1 . 2]" 1
216 1 74 TRP HB2 1 74 TRP HE3 3.000 . 3.500 2.471 2.435 2.501 . 0 0 "[ . 1 . 2]" 1
217 1 75 ARG H 1 75 ARG HB3 4.000 . 4.750 3.437 3.346 3.570 . 0 0 "[ . 1 . 2]" 1
218 1 75 ARG H 1 75 ARG HB2 3.000 . 3.500 2.225 2.171 2.317 . 0 0 "[ . 1 . 2]" 1
219 1 75 ARG H 1 75 ARG QG 4.000 . 4.750 3.701 3.513 3.871 . 0 0 "[ . 1 . 2]" 1
220 1 75 ARG H 1 75 ARG QD 5.000 . 6.000 3.261 2.519 4.559 . 0 0 "[ . 1 . 2]" 1
221 1 75 ARG HA 1 75 ARG QD 4.000 . 4.750 3.397 2.610 4.014 . 0 0 "[ . 1 . 2]" 1
222 1 75 ARG HB3 1 75 ARG HE 5.000 . 6.000 4.127 3.628 5.015 . 0 0 "[ . 1 . 2]" 1
223 1 75 ARG HB2 1 75 ARG HE 5.000 . 6.000 3.608 2.257 4.405 . 0 0 "[ . 1 . 2]" 1
224 1 76 TYR H 1 76 TYR HB3 4.000 . 4.750 3.662 3.626 3.697 . 0 0 "[ . 1 . 2]" 1
225 1 76 TYR H 1 76 TYR HB2 3.000 . 3.500 2.456 2.398 2.523 . 0 0 "[ . 1 . 2]" 1
226 1 76 TYR H 1 76 TYR QD 4.000 . 4.750 2.749 2.617 2.950 . 0 0 "[ . 1 . 2]" 1
227 1 76 TYR H 1 76 TYR QE 5.000 . 6.000 4.974 4.857 5.184 . 0 0 "[ . 1 . 2]" 1
228 1 76 TYR HA 1 76 TYR HB3 3.000 . 3.500 2.570 2.534 2.606 . 0 0 "[ . 1 . 2]" 1
229 1 76 TYR HA 1 76 TYR QD 4.000 . 4.750 3.067 3.032 3.088 . 0 0 "[ . 1 . 2]" 1
230 1 76 TYR HA 1 76 TYR QE 5.000 . 6.000 4.590 4.558 4.603 . 0 0 "[ . 1 . 2]" 1
231 1 76 TYR HB3 1 76 TYR QD 3.000 . 3.500 2.325 2.303 2.344 . 0 0 "[ . 1 . 2]" 1
232 1 76 TYR HB2 1 76 TYR QD 3.000 . 3.500 2.494 2.464 2.547 . 0 0 "[ . 1 . 2]" 1
233 1 76 TYR HB2 1 76 TYR QE 4.000 . 4.750 4.443 4.434 4.457 . 0 0 "[ . 1 . 2]" 1
234 1 77 TYR H 1 77 TYR HB3 4.000 . 4.750 3.749 3.735 3.768 . 0 0 "[ . 1 . 2]" 1
235 1 77 TYR H 1 77 TYR HB2 3.000 . 3.500 2.660 2.634 2.679 . 0 0 "[ . 1 . 2]" 1
236 1 77 TYR H 1 77 TYR QD 4.000 . 4.750 3.131 3.079 3.203 . 0 0 "[ . 1 . 2]" 1
237 1 77 TYR H 1 77 TYR QE 5.000 . 6.000 5.363 5.323 5.430 . 0 0 "[ . 1 . 2]" 1
238 1 77 TYR HA 1 77 TYR HB3 3.000 . 3.500 2.611 2.600 2.623 . 0 0 "[ . 1 . 2]" 1
239 1 77 TYR HA 1 77 TYR QD 4.000 . 4.750 3.056 3.039 3.068 . 0 0 "[ . 1 . 2]" 1
240 1 77 TYR HA 1 77 TYR QE 5.000 . 6.000 4.538 4.512 4.556 . 0 0 "[ . 1 . 2]" 1
241 1 77 TYR HB3 1 77 TYR QD 3.000 . 3.500 2.290 2.284 2.297 . 0 0 "[ . 1 . 2]" 1
242 1 77 TYR HB2 1 77 TYR QD 3.000 . 3.500 2.569 2.547 2.584 . 0 0 "[ . 1 . 2]" 1
243 1 78 LEU H 1 78 LEU HB3 3.000 . 3.500 2.777 2.720 3.120 . 0 0 "[ . 1 . 2]" 1
244 1 78 LEU H 1 78 LEU HB2 3.000 . 3.500 2.566 2.497 2.635 . 0 0 "[ . 1 . 2]" 1
245 1 78 LEU H 1 78 LEU HG 4.000 . 4.750 4.745 4.701 4.774 0.024 12 0 "[ . 1 . 2]" 1
246 1 78 LEU H 1 78 LEU MD1 5.000 . 6.000 4.102 3.669 4.161 . 0 0 "[ . 1 . 2]" 1
247 1 78 LEU H 1 78 LEU MD2 5.000 . 6.000 4.094 4.007 4.527 . 0 0 "[ . 1 . 2]" 1
248 1 78 LEU HA 1 78 LEU HG 4.000 . 4.750 3.620 2.641 3.743 . 0 0 "[ . 1 . 2]" 1
249 1 78 LEU HA 1 78 LEU MD1 4.000 . 4.750 2.315 1.919 2.399 . 0 0 "[ . 1 . 2]" 1
250 1 78 LEU HA 1 78 LEU MD2 4.000 . 4.750 2.292 2.051 3.765 . 0 0 "[ . 1 . 2]" 1
251 1 78 LEU HB3 1 78 LEU HG 3.000 . 3.500 2.364 2.340 2.461 . 0 0 "[ . 1 . 2]" 1
252 1 78 LEU HB2 1 78 LEU HG 3.000 . 3.500 2.573 2.505 3.020 . 0 0 "[ . 1 . 2]" 1
253 1 79 ASP H 1 79 ASP HA 3.000 . 3.500 2.274 2.272 2.276 . 0 0 "[ . 1 . 2]" 1
254 1 80 SER H 1 80 SER HA 3.000 . 3.500 2.919 2.918 2.921 . 0 0 "[ . 1 . 2]" 1
255 1 81 VAL H 1 81 VAL HB 3.000 . 3.500 2.738 2.691 2.786 . 0 0 "[ . 1 . 2]" 1
256 1 82 GLU H 1 82 GLU QB 3.000 . 3.500 2.709 2.618 2.926 . 0 0 "[ . 1 . 2]" 1
257 1 82 GLU H 1 82 GLU QG 3.000 . 3.500 2.180 1.949 2.442 . 0 0 "[ . 1 . 2]" 1
258 1 83 VAL H 1 83 VAL HB 4.000 . 4.750 3.861 3.811 3.909 . 0 0 "[ . 1 . 2]" 1
259 1 84 HIS H 1 84 HIS HB3 3.000 . 3.500 2.544 2.519 2.590 . 0 0 "[ . 1 . 2]" 1
260 1 84 HIS H 1 84 HIS HB2 3.000 . 3.500 2.827 2.769 2.882 . 0 0 "[ . 1 . 2]" 1
261 1 84 HIS H 1 84 HIS HD2 5.000 . 6.000 4.972 4.894 5.072 . 0 0 "[ . 1 . 2]" 1
262 1 84 HIS HA 1 84 HIS HD2 5.000 . 6.000 3.972 3.889 4.024 . 0 0 "[ . 1 . 2]" 1
263 1 84 HIS HB3 1 84 HIS HD2 3.000 . 3.500 2.955 2.913 3.018 . 0 0 "[ . 1 . 2]" 1
264 1 85 LEU H 1 85 LEU HB3 3.000 . 3.500 2.640 2.529 2.977 . 0 0 "[ . 1 . 2]" 1
265 1 85 LEU H 1 85 LEU HB2 3.000 . 3.500 2.891 2.760 3.082 . 0 0 "[ . 1 . 2]" 1
266 1 85 LEU H 1 85 LEU HG 4.000 . 4.750 4.584 4.527 4.653 . 0 0 "[ . 1 . 2]" 1
267 1 85 LEU H 1 85 LEU MD1 5.000 . 6.000 4.460 4.235 4.618 . 0 0 "[ . 1 . 2]" 1
268 1 85 LEU H 1 85 LEU MD2 5.000 . 6.000 4.048 3.914 4.549 . 0 0 "[ . 1 . 2]" 1
269 1 85 LEU HA 1 85 LEU HG 4.000 . 4.750 2.405 2.205 2.474 . 0 0 "[ . 1 . 2]" 1
270 1 85 LEU HB3 1 85 LEU HG 3.000 . 3.500 2.948 2.779 2.984 . 0 0 "[ . 1 . 2]" 1
271 1 88 PHE H 1 88 PHE HB3 4.000 . 4.750 3.383 3.363 3.395 . 0 0 "[ . 1 . 2]" 1
272 1 88 PHE H 1 88 PHE HB2 4.000 . 4.750 3.431 3.426 3.437 . 0 0 "[ . 1 . 2]" 1
273 1 88 PHE H 1 88 PHE QD 4.000 . 4.750 2.332 2.238 2.421 . 0 0 "[ . 1 . 2]" 1
274 1 88 PHE HA 1 88 PHE HB3 3.000 . 3.500 2.225 2.222 2.230 . 0 0 "[ . 1 . 2]" 1
275 1 88 PHE HA 1 88 PHE QD 4.000 . 4.750 3.280 3.254 3.302 . 0 0 "[ . 1 . 2]" 1
276 1 88 PHE HB3 1 88 PHE QD 3.000 . 3.500 2.613 2.586 2.641 . 0 0 "[ . 1 . 2]" 1
277 1 88 PHE HB2 1 88 PHE QD 3.000 . 3.500 2.248 2.235 2.258 . 0 0 "[ . 1 . 2]" 1
278 1 89 TRP H 1 89 TRP HB3 4.000 . 4.750 3.689 3.644 3.726 . 0 0 "[ . 1 . 2]" 1
279 1 89 TRP H 1 89 TRP HB2 3.000 . 3.500 2.513 2.431 2.560 . 0 0 "[ . 1 . 2]" 1
280 1 89 TRP H 1 89 TRP HD1 5.000 . 6.000 3.542 3.483 3.647 . 0 0 "[ . 1 . 2]" 1
281 1 89 TRP H 1 89 TRP HE1 5.000 . 6.000 5.279 5.208 5.390 . 0 0 "[ . 1 . 2]" 1
282 1 89 TRP H 1 89 TRP HE3 4.000 . 4.750 4.757 4.714 4.788 0.038 14 0 "[ . 1 . 2]" 1
283 1 89 TRP HA 1 89 TRP HD1 4.000 . 4.750 2.230 2.192 2.249 . 0 0 "[ . 1 . 2]" 1
284 1 89 TRP HA 1 89 TRP HE1 4.000 . 4.750 4.746 4.703 4.766 0.016 19 0 "[ . 1 . 2]" 1
285 1 89 TRP HA 1 89 TRP HE3 5.000 . 6.000 5.170 5.119 5.190 . 0 0 "[ . 1 . 2]" 1
286 1 89 TRP HB3 1 89 TRP HE3 4.000 . 4.750 3.165 3.056 3.218 . 0 0 "[ . 1 . 2]" 1
287 1 89 TRP HB2 1 89 TRP HE1 5.000 . 6.000 5.203 5.191 5.210 . 0 0 "[ . 1 . 2]" 1
288 1 89 TRP HB2 1 89 TRP HE3 4.000 . 4.750 2.620 2.579 2.659 . 0 0 "[ . 1 . 2]" 1
289 1 90 GLU H 1 90 GLU QB 3.000 . 3.500 2.358 2.032 2.641 . 0 0 "[ . 1 . 2]" 1
290 1 90 GLU H 1 90 GLU QG 3.000 . 3.500 2.624 1.934 3.555 0.055 11 0 "[ . 1 . 2]" 1
291 1 91 GLN H 1 91 GLN HA 3.000 . 3.500 2.914 2.903 2.923 . 0 0 "[ . 1 . 2]" 1
292 1 91 GLN H 1 91 GLN QG 4.000 . 4.750 1.991 1.966 2.054 . 0 0 "[ . 1 . 2]" 1
293 1 91 GLN H 1 91 GLN HE22 4.000 . 4.750 4.006 3.487 4.549 . 0 0 "[ . 1 . 2]" 1
294 1 92 TYR H 1 92 TYR HB3 4.000 . 4.750 3.622 3.611 3.632 . 0 0 "[ . 1 . 2]" 1
295 1 92 TYR H 1 92 TYR HB2 4.000 . 4.750 2.603 2.565 2.644 . 0 0 "[ . 1 . 2]" 1
296 1 92 TYR H 1 92 TYR QD 3.000 . 3.500 2.686 2.628 2.744 . 0 0 "[ . 1 . 2]" 1
297 1 92 TYR H 1 92 TYR QE 5.000 . 6.000 4.278 4.233 4.366 . 0 0 "[ . 1 . 2]" 1
298 1 92 TYR HA 1 92 TYR HB3 3.000 . 3.500 2.397 2.378 2.416 . 0 0 "[ . 1 . 2]" 1
299 1 92 TYR HA 1 92 TYR QD 3.000 . 3.500 2.175 2.150 2.199 . 0 0 "[ . 1 . 2]" 1
300 1 92 TYR HA 1 92 TYR QE 5.000 . 6.000 4.494 4.468 4.523 . 0 0 "[ . 1 . 2]" 1
301 1 92 TYR HB3 1 92 TYR QD 3.000 . 3.500 2.723 2.701 2.738 . 0 0 "[ . 1 . 2]" 1
302 1 92 TYR HB2 1 92 TYR QD 3.000 . 3.500 2.488 2.463 2.518 . 0 0 "[ . 1 . 2]" 1
303 1 93 ILE H 1 93 ILE HB 4.000 . 4.750 3.636 3.615 3.654 . 0 0 "[ . 1 . 2]" 1
304 1 93 ILE H 1 93 ILE MD 4.000 . 4.750 3.745 3.649 3.838 . 0 0 "[ . 1 . 2]" 1
305 1 93 ILE HA 1 93 ILE MD 4.000 . 4.750 4.066 4.033 4.139 . 0 0 "[ . 1 . 2]" 1
306 1 93 ILE HB 1 93 ILE MD 3.000 . 3.500 2.168 2.054 2.314 . 0 0 "[ . 1 . 2]" 1
307 1 94 ASN H 1 94 ASN HD21 5.000 . 6.000 2.049 1.967 2.336 . 0 0 "[ . 1 . 2]" 1
308 1 94 ASN H 1 94 ASN HD22 4.000 . 4.750 3.250 2.880 3.447 . 0 0 "[ . 1 . 2]" 1
309 1 94 ASN HA 1 94 ASN HD22 5.000 . 6.000 4.593 4.404 5.053 . 0 0 "[ . 1 . 2]" 1
310 1 95 ASP H 1 95 ASP QB 3.000 . 3.500 2.251 2.090 2.606 . 0 0 "[ . 1 . 2]" 1
311 1 96 GLU H 1 96 GLU QG 4.000 . 4.750 4.136 3.995 4.274 . 0 0 "[ . 1 . 2]" 1
312 1 97 ASN H 1 97 ASN HB3 4.000 . 4.750 3.852 3.746 3.904 . 0 0 "[ . 1 . 2]" 1
313 1 97 ASN H 1 97 ASN HB2 3.000 . 3.500 2.997 2.619 3.148 . 0 0 "[ . 1 . 2]" 1
314 1 97 ASN HB3 1 97 ASN HD22 4.000 . 4.750 3.888 3.788 4.078 . 0 0 "[ . 1 . 2]" 1
315 1 97 ASN HB2 1 97 ASN HD22 4.000 . 4.750 3.457 3.431 3.533 . 0 0 "[ . 1 . 2]" 1
316 1 98 THR H 1 98 THR HB 4.000 . 4.750 2.642 2.459 2.881 . 0 0 "[ . 1 . 2]" 1
317 1 99 VAL H 1 99 VAL HB 4.000 . 4.750 3.460 3.447 3.479 . 0 0 "[ . 1 . 2]" 1
318 1 99 VAL HA 1 99 VAL HB 3.000 . 3.500 2.767 2.758 2.771 . 0 0 "[ . 1 . 2]" 1
319 1 100 GLU H 1 100 GLU HB3 4.000 . 4.750 3.767 3.691 3.812 . 0 0 "[ . 1 . 2]" 1
320 1 100 GLU H 1 100 GLU HB2 4.000 . 4.750 2.683 2.508 2.795 . 0 0 "[ . 1 . 2]" 1
321 1 100 GLU HA 1 100 GLU HB3 3.000 . 3.500 2.421 2.350 2.513 . 0 0 "[ . 1 . 2]" 1
322 1 101 LEU H 1 101 LEU HG 3.000 . 3.500 2.124 1.993 2.237 . 0 0 "[ . 1 . 2]" 1
323 1 101 LEU H 1 101 LEU MD1 5.000 . 6.000 2.959 2.768 3.258 . 0 0 "[ . 1 . 2]" 1
324 1 101 LEU H 1 101 LEU MD2 5.000 . 6.000 3.754 3.539 3.864 . 0 0 "[ . 1 . 2]" 1
325 1 101 LEU HA 1 101 LEU HG 4.000 . 4.750 3.642 3.580 3.699 . 0 0 "[ . 1 . 2]" 1
326 1 102 ILE H 1 102 ILE HB 4.000 . 4.750 3.146 2.698 3.318 . 0 0 "[ . 1 . 2]" 1
327 1 102 ILE H 1 102 ILE MD 5.000 . 6.000 2.906 2.082 3.519 . 0 0 "[ . 1 . 2]" 1
328 1 103 HIS H 1 103 HIS HB3 4.000 . 4.750 3.657 3.596 3.743 . 0 0 "[ . 1 . 2]" 1
329 1 103 HIS H 1 103 HIS HB2 3.000 . 3.500 2.605 2.563 2.663 . 0 0 "[ . 1 . 2]" 1
330 1 103 HIS H 1 103 HIS HD2 4.000 . 4.750 2.044 1.885 2.200 . 0 0 "[ . 1 . 2]" 1
331 1 103 HIS H 1 103 HIS HE1 5.000 . 6.000 5.722 5.468 6.028 0.028 20 0 "[ . 1 . 2]" 1
332 1 103 HIS HA 1 103 HIS HD2 5.000 . 6.000 3.836 3.581 4.045 . 0 0 "[ . 1 . 2]" 1
333 1 103 HIS HB3 1 103 HIS HD2 4.000 . 4.750 3.962 3.952 3.967 . 0 0 "[ . 1 . 2]" 1
334 1 103 HIS HB2 1 103 HIS HD2 3.000 . 3.500 3.037 2.937 3.139 . 0 0 "[ . 1 . 2]" 1
335 1 104 THR H 1 104 THR HB 4.000 . 4.750 3.619 3.605 3.635 . 0 0 "[ . 1 . 2]" 1
336 1 104 THR H 1 104 THR HG1 5.000 . 6.000 2.541 2.274 4.055 . 0 0 "[ . 1 . 2]" 1
337 1 104 THR H 1 104 THR MG 3.000 . 3.500 1.991 1.872 2.106 . 0 0 "[ . 1 . 2]" 1
338 1 104 THR HA 1 104 THR HB 3.000 . 3.500 2.332 2.283 2.357 . 0 0 "[ . 1 . 2]" 1
339 1 105 ASP H 1 105 ASP HA 3.000 . 3.500 2.880 2.841 2.903 . 0 0 "[ . 1 . 2]" 1
340 1 105 ASP H 1 105 ASP QB 3.000 . 3.500 2.279 2.222 2.315 . 0 0 "[ . 1 . 2]" 1
341 1 106 SER H 1 106 SER HG 4.000 . 4.750 1.933 1.894 1.998 . 0 0 "[ . 1 . 2]" 1
342 1 107 LEU H 1 107 LEU HG 3.000 . 3.500 2.226 1.996 2.899 . 0 0 "[ . 1 . 2]" 1
343 1 107 LEU H 1 107 LEU QD 4.000 . 4.750 2.612 2.230 3.481 . 0 0 "[ . 1 . 2]" 1
344 1 107 LEU HA 1 107 LEU HG 4.000 . 4.750 3.605 3.098 3.701 . 0 0 "[ . 1 . 2]" 1
345 1 107 LEU HA 1 107 LEU QD 4.000 . 4.750 3.242 2.181 3.441 . 0 0 "[ . 1 . 2]" 1
346 1 109 LEU H 1 109 LEU HB3 4.000 . 4.750 2.649 2.605 2.681 . 0 0 "[ . 1 . 2]" 1
347 1 109 LEU H 1 109 LEU HB2 4.000 . 4.750 2.557 2.523 2.610 . 0 0 "[ . 1 . 2]" 1
348 1 109 LEU H 1 109 LEU HG 5.000 . 6.000 4.695 4.670 4.731 . 0 0 "[ . 1 . 2]" 1
349 1 109 LEU H 1 109 LEU MD1 5.000 . 6.000 4.150 4.114 4.193 . 0 0 "[ . 1 . 2]" 1
350 1 109 LEU H 1 109 LEU MD2 5.000 . 6.000 4.043 3.993 4.079 . 0 0 "[ . 1 . 2]" 1
351 1 109 LEU HA 1 109 LEU HB2 3.000 . 3.500 2.559 2.537 2.573 . 0 0 "[ . 1 . 2]" 1
352 1 109 LEU HA 1 109 LEU MD1 4.000 . 4.750 2.878 2.756 2.989 . 0 0 "[ . 1 . 2]" 1
353 1 109 LEU HA 1 109 LEU MD2 4.000 . 4.750 2.076 1.993 2.119 . 0 0 "[ . 1 . 2]" 1
354 1 109 LEU HB3 1 109 LEU HG 3.000 . 3.500 2.464 2.439 2.500 . 0 0 "[ . 1 . 2]" 1
355 1 109 LEU HB3 1 109 LEU MD1 3.000 . 3.500 2.265 2.211 2.320 . 0 0 "[ . 1 . 2]" 1
356 1 109 LEU HB2 1 109 LEU HG 3.000 . 3.500 2.408 2.375 2.435 . 0 0 "[ . 1 . 2]" 1
357 1 109 LEU HB2 1 109 LEU MD2 3.000 . 3.500 2.334 2.295 2.409 . 0 0 "[ . 1 . 2]" 1
358 1 110 VAL H 1 110 VAL HB 3.000 . 3.500 2.679 2.655 2.711 . 0 0 "[ . 1 . 2]" 1
359 1 111 ILE H 1 111 ILE HB 4.000 . 4.750 3.623 3.603 3.633 . 0 0 "[ . 1 . 2]" 1
360 1 111 ILE H 1 111 ILE MD 5.000 . 6.000 3.683 1.881 3.924 . 0 0 "[ . 1 . 2]" 1
361 1 111 ILE HA 1 111 ILE HB 3.000 . 3.500 2.458 2.415 2.521 . 0 0 "[ . 1 . 2]" 1
362 1 113 LEU H 1 113 LEU HB3 3.000 . 3.500 3.176 3.099 3.227 . 0 0 "[ . 1 . 2]" 1
363 1 113 LEU H 1 113 LEU HB2 3.000 . 3.500 2.891 2.833 2.967 . 0 0 "[ . 1 . 2]" 1
364 1 113 LEU H 1 113 LEU HG 4.000 . 4.750 4.659 4.635 4.678 . 0 0 "[ . 1 . 2]" 1
365 1 113 LEU H 1 113 LEU MD1 5.000 . 6.000 4.191 4.119 4.322 . 0 0 "[ . 1 . 2]" 1
366 1 113 LEU H 1 113 LEU MD2 5.000 . 6.000 4.695 4.636 4.722 . 0 0 "[ . 1 . 2]" 1
367 1 113 LEU HA 1 113 LEU HG 4.000 . 4.750 2.316 2.233 2.375 . 0 0 "[ . 1 . 2]" 1
368 1 113 LEU HA 1 113 LEU MD1 4.000 . 4.750 2.644 2.532 2.844 . 0 0 "[ . 1 . 2]" 1
369 1 113 LEU HA 1 113 LEU MD2 4.000 . 4.750 3.694 3.625 3.733 . 0 0 "[ . 1 . 2]" 1
370 1 113 LEU HB3 1 113 LEU HG 3.000 . 3.500 2.705 2.680 2.769 . 0 0 "[ . 1 . 2]" 1
371 1 113 LEU HB3 1 113 LEU MD2 3.000 . 3.500 1.972 1.942 2.114 . 0 0 "[ . 1 . 2]" 1
372 1 113 LEU HB2 1 113 LEU HG 3.000 . 3.500 2.957 2.922 2.972 . 0 0 "[ . 1 . 2]" 1
373 1 113 LEU HB2 1 113 LEU MD2 3.000 . 3.500 2.738 2.678 2.847 . 0 0 "[ . 1 . 2]" 1
374 1 114 ASN H 1 114 ASN HD22 5.000 . 6.000 4.107 3.775 4.394 . 0 0 "[ . 1 . 2]" 1
375 1 116 HIS H 1 116 HIS HB3 4.000 . 4.750 4.013 3.872 4.039 . 0 0 "[ . 1 . 2]" 1
376 1 116 HIS H 1 116 HIS HB2 3.000 . 3.500 3.141 2.911 3.214 . 0 0 "[ . 1 . 2]" 1
377 1 116 HIS H 1 116 HIS HD2 4.000 . 4.750 3.257 2.870 3.342 . 0 0 "[ . 1 . 2]" 1
378 1 116 HIS HA 1 116 HIS HB3 3.000 . 3.500 2.345 2.326 2.360 . 0 0 "[ . 1 . 2]" 1
379 1 116 HIS HA 1 116 HIS HD2 5.000 . 6.000 4.398 4.331 4.475 . 0 0 "[ . 1 . 2]" 1
380 1 116 HIS HB2 1 116 HIS HD2 3.000 . 3.500 2.804 2.787 2.826 . 0 0 "[ . 1 . 2]" 1
381 1 117 THR H 1 117 THR HB 4.000 . 4.750 3.918 3.842 3.935 . 0 0 "[ . 1 . 2]" 1
382 1 117 THR H 1 117 THR MG 4.000 . 4.750 2.847 2.737 3.234 . 0 0 "[ . 1 . 2]" 1
383 1 118 LEU H 1 118 LEU HB3 4.000 . 4.750 3.376 3.348 3.433 . 0 0 "[ . 1 . 2]" 1
384 1 118 LEU H 1 118 LEU HB2 3.000 . 3.500 2.067 2.047 2.162 . 0 0 "[ . 1 . 2]" 1
385 1 118 LEU H 1 118 LEU HG 3.000 . 3.500 3.251 3.172 3.337 . 0 0 "[ . 1 . 2]" 1
386 1 118 LEU H 1 118 LEU MD1 5.000 . 6.000 3.856 3.813 3.942 . 0 0 "[ . 1 . 2]" 1
387 1 118 LEU H 1 118 LEU MD2 5.000 . 6.000 4.037 3.998 4.117 . 0 0 "[ . 1 . 2]" 1
388 1 118 LEU HA 1 118 LEU HB3 3.000 . 3.500 2.767 2.696 2.778 . 0 0 "[ . 1 . 2]" 1
389 1 118 LEU HA 1 118 LEU HG 4.000 . 4.750 2.611 2.566 2.711 . 0 0 "[ . 1 . 2]" 1
390 1 118 LEU HA 1 118 LEU MD2 3.000 . 3.500 2.019 1.935 2.197 . 0 0 "[ . 1 . 2]" 1
391 1 118 LEU HB3 1 118 LEU HG 3.000 . 3.500 3.019 3.015 3.021 . 0 0 "[ . 1 . 2]" 1
392 1 118 LEU HB3 1 118 LEU MD1 3.000 . 3.500 2.414 2.322 2.487 . 0 0 "[ . 1 . 2]" 1
393 1 118 LEU HB3 1 118 LEU MD2 3.000 . 3.500 2.319 2.250 2.381 . 0 0 "[ . 1 . 2]" 1
394 1 118 LEU HB2 1 118 LEU HG 3.000 . 3.500 2.470 2.445 2.509 . 0 0 "[ . 1 . 2]" 1
395 1 118 LEU HB2 1 118 LEU MD1 3.000 . 3.500 2.221 2.147 2.328 . 0 0 "[ . 1 . 2]" 1
396 1 119 GLN H 1 119 GLN HA 3.000 . 3.500 2.941 2.927 2.946 . 0 0 "[ . 1 . 2]" 1
397 1 119 GLN H 1 119 GLN HE22 5.000 . 6.000 5.883 5.709 6.088 0.088 11 0 "[ . 1 . 2]" 1
398 1 119 GLN H 1 119 GLN QB 3.000 . 3.500 2.824 2.283 3.192 . 0 0 "[ . 1 . 2]" 1
399 1 119 GLN H 1 119 GLN QG 4.000 . 4.750 2.783 1.803 4.125 . 0 0 "[ . 1 . 2]" 1
400 1 120 GLU H 1 120 GLU QB 3.000 . 3.500 2.586 2.106 2.962 . 0 0 "[ . 1 . 2]" 1
401 1 120 GLU H 1 120 GLU QG 4.000 . 4.750 2.590 1.928 3.794 . 0 0 "[ . 1 . 2]" 1
402 1 2 ALA HA 1 3 PHE H 3.000 . 3.500 3.487 3.087 3.552 0.052 6 0 "[ . 1 . 2]" 1
403 1 2 ALA HA 1 3 PHE QD 5.000 . 6.000 4.609 4.131 4.924 . 0 0 "[ . 1 . 2]" 1
404 1 2 ALA MB 1 3 PHE H 4.000 . 4.750 2.706 2.183 3.520 . 0 0 "[ . 1 . 2]" 1
405 1 2 ALA MB 1 3 PHE HA 5.000 . 6.000 3.996 3.845 4.247 . 0 0 "[ . 1 . 2]" 1
406 1 2 ALA MB 1 3 PHE HZ 4.000 . 4.750 3.842 3.629 4.161 . 0 0 "[ . 1 . 2]" 1
407 1 2 ALA MB 1 3 PHE QD 4.000 . 4.750 3.092 2.886 3.412 . 0 0 "[ . 1 . 2]" 1
408 1 2 ALA MB 1 3 PHE QE 4.000 . 4.750 3.022 2.793 3.417 . 0 0 "[ . 1 . 2]" 1
409 1 3 PHE H 1 4 ALA H 3.000 . 3.500 2.592 2.345 2.830 . 0 0 "[ . 1 . 2]" 1
410 1 3 PHE H 1 4 ALA MB 5.000 . 6.000 3.906 3.652 4.128 . 0 0 "[ . 1 . 2]" 1
411 1 3 PHE HA 1 4 ALA H 3.000 . 3.500 2.975 2.891 3.115 . 0 0 "[ . 1 . 2]" 1
412 1 3 PHE HB3 1 4 ALA H 4.000 . 4.750 4.535 4.486 4.569 . 0 0 "[ . 1 . 2]" 1
413 1 3 PHE HB2 1 4 ALA H 4.000 . 4.750 4.032 3.864 4.114 . 0 0 "[ . 1 . 2]" 1
414 1 3 PHE QD 1 4 ALA H 4.000 . 4.750 4.617 4.461 4.728 . 0 0 "[ . 1 . 2]" 1
415 1 4 ALA H 1 5 ASP H 3.000 . 3.500 2.538 2.479 2.641 . 0 0 "[ . 1 . 2]" 1
416 1 4 ALA HA 1 5 ASP H 3.000 . 3.500 3.530 3.510 3.551 0.051 5 0 "[ . 1 . 2]" 1
417 1 4 ALA MB 1 5 ASP H 3.000 . 3.500 2.545 2.270 2.785 . 0 0 "[ . 1 . 2]" 1
418 1 4 ALA MB 1 5 ASP HA 5.000 . 6.000 3.958 3.839 4.086 . 0 0 "[ . 1 . 2]" 1
419 1 4 ALA MB 1 5 ASP QB 5.000 . 6.000 3.620 3.266 4.058 . 0 0 "[ . 1 . 2]" 1
420 1 5 ASP H 1 6 ALA H 2.500 . 2.800 2.313 2.081 2.574 . 0 0 "[ . 1 . 2]" 1
421 1 5 ASP HA 1 6 ALA H 3.000 . 3.500 3.205 3.188 3.221 . 0 0 "[ . 1 . 2]" 1
422 1 5 ASP HA 1 6 ALA MB 5.000 . 6.000 4.775 4.706 4.821 . 0 0 "[ . 1 . 2]" 1
423 1 5 ASP QB 1 6 ALA H 3.000 . 3.500 3.514 3.503 3.529 0.029 5 0 "[ . 1 . 2]" 1
424 1 6 ALA H 1 7 GLN H 4.000 . 4.750 4.575 4.550 4.602 . 0 0 "[ . 1 . 2]" 1
425 1 6 ALA HA 1 7 GLN H 2.500 . 2.800 2.174 2.156 2.194 . 0 0 "[ . 1 . 2]" 1
426 1 6 ALA HA 1 7 GLN QG 5.000 . 6.000 5.118 4.422 5.930 . 0 0 "[ . 1 . 2]" 1
427 1 6 ALA MB 1 7 GLN H 3.000 . 3.500 3.003 2.938 3.094 . 0 0 "[ . 1 . 2]" 1
428 1 7 GLN HA 1 8 THR H 2.500 . 2.800 2.508 2.423 2.543 . 0 0 "[ . 1 . 2]" 1
429 1 7 GLN HA 1 8 THR HA 5.000 . 6.000 4.516 4.487 4.548 . 0 0 "[ . 1 . 2]" 1
430 1 7 GLN HA 1 8 THR MG 4.000 . 4.750 4.686 4.395 4.767 0.017 18 0 "[ . 1 . 2]" 1
431 1 7 GLN QB 1 8 THR H 3.000 . 3.500 2.650 2.280 3.311 . 0 0 "[ . 1 . 2]" 1
432 1 7 GLN QB 1 8 THR HA 4.000 . 4.750 3.926 3.821 4.310 . 0 0 "[ . 1 . 2]" 1
433 1 7 GLN QG 1 8 THR H 4.000 . 4.750 2.593 1.908 3.734 . 0 0 "[ . 1 . 2]" 1
434 1 8 THR H 1 9 ARG H 4.000 . 4.750 4.361 4.301 4.412 . 0 0 "[ . 1 . 2]" 1
435 1 8 THR HA 1 9 ARG H 2.500 . 2.800 2.274 2.185 2.372 . 0 0 "[ . 1 . 2]" 1
436 1 8 THR HA 1 9 ARG QG 5.000 . 6.000 4.983 3.687 5.802 . 0 0 "[ . 1 . 2]" 1
437 1 8 THR HB 1 9 ARG H 3.000 . 3.500 3.025 2.625 3.320 . 0 0 "[ . 1 . 2]" 1
438 1 8 THR MG 1 9 ARG H 4.000 . 4.750 2.823 2.625 3.183 . 0 0 "[ . 1 . 2]" 1
439 1 9 ARG H 1 10 LYS H 4.000 . 4.750 4.339 4.296 4.372 . 0 0 "[ . 1 . 2]" 1
440 1 9 ARG HA 1 10 LYS H 2.500 . 2.800 2.407 2.328 2.591 . 0 0 "[ . 1 . 2]" 1
441 1 9 ARG HE 1 10 LYS H 5.000 . 6.000 4.886 4.344 5.904 . 0 0 "[ . 1 . 2]" 1
442 1 9 ARG QB 1 10 LYS H 3.000 . 3.500 3.036 2.284 3.513 0.013 10 0 "[ . 1 . 2]" 1
443 1 9 ARG QG 1 10 LYS H 3.000 . 3.500 2.525 1.864 3.489 . 0 0 "[ . 1 . 2]" 1
444 1 9 ARG QG 1 10 LYS HA 5.000 . 6.000 4.023 3.872 4.229 . 0 0 "[ . 1 . 2]" 1
445 1 10 LYS HA 1 11 LEU H 3.000 . 3.500 2.148 2.117 2.176 . 0 0 "[ . 1 . 2]" 1
446 1 10 LYS HA 1 11 LEU HA 5.000 . 6.000 4.321 4.302 4.335 . 0 0 "[ . 1 . 2]" 1
447 1 10 LYS HA 1 11 LEU HB3 4.000 . 4.750 4.752 4.703 4.781 0.031 10 0 "[ . 1 . 2]" 1
448 1 10 LYS HA 1 11 LEU HB2 4.000 . 4.750 4.255 4.166 4.319 . 0 0 "[ . 1 . 2]" 1
449 1 10 LYS HA 1 11 LEU MD2 5.000 . 6.000 5.781 5.662 5.863 . 0 0 "[ . 1 . 2]" 1
450 1 10 LYS QB 1 11 LEU H 3.000 . 3.500 3.272 3.183 3.315 . 0 0 "[ . 1 . 2]" 1
451 1 10 LYS QG 1 11 LEU H 2.500 . 2.800 2.824 2.807 2.834 0.034 8 0 "[ . 1 . 2]" 1
452 1 11 LEU H 1 12 THR H 4.000 . 4.750 4.563 4.493 4.606 . 0 0 "[ . 1 . 2]" 1
453 1 11 LEU HA 1 12 THR H 3.000 . 3.500 2.188 2.145 2.252 . 0 0 "[ . 1 . 2]" 1
454 1 11 LEU HA 1 12 THR MG 4.000 . 4.750 3.370 3.265 3.436 . 0 0 "[ . 1 . 2]" 1
455 1 11 LEU HB2 1 12 THR H 4.000 . 4.750 4.254 4.125 4.342 . 0 0 "[ . 1 . 2]" 1
456 1 11 LEU HG 1 12 THR H 3.000 . 3.500 3.169 2.687 3.508 0.008 17 0 "[ . 1 . 2]" 1
457 1 11 LEU MD2 1 12 THR H 4.000 . 4.750 4.396 4.136 4.570 . 0 0 "[ . 1 . 2]" 1
458 1 12 THR H 1 13 PRO HD3 5.000 . 6.000 5.232 5.213 5.264 . 0 0 "[ . 1 . 2]" 1
459 1 12 THR H 1 13 PRO HD2 4.000 . 4.750 4.745 4.730 4.759 0.009 18 0 "[ . 1 . 2]" 1
460 1 12 THR HA 1 13 PRO HD3 3.000 . 3.500 2.512 2.487 2.551 . 0 0 "[ . 1 . 2]" 1
461 1 12 THR HA 1 13 PRO HD2 4.000 . 4.750 2.337 2.315 2.352 . 0 0 "[ . 1 . 2]" 1
462 1 12 THR HA 1 13 PRO QG 4.000 . 4.750 4.042 4.037 4.050 . 0 0 "[ . 1 . 2]" 1
463 1 12 THR HB 1 13 PRO HD3 4.000 . 4.750 3.519 3.492 3.549 . 0 0 "[ . 1 . 2]" 1
464 1 12 THR HB 1 13 PRO HD2 4.000 . 4.750 1.973 1.946 1.988 . 0 0 "[ . 1 . 2]" 1
465 1 12 THR HB 1 13 PRO QG 4.000 . 4.750 3.557 3.504 3.597 . 0 0 "[ . 1 . 2]" 1
466 1 12 THR MG 1 13 PRO HD3 4.000 . 4.750 4.402 4.336 4.461 . 0 0 "[ . 1 . 2]" 1
467 1 12 THR MG 1 13 PRO HD2 4.000 . 4.750 3.449 3.394 3.522 . 0 0 "[ . 1 . 2]" 1
468 1 13 PRO HA 1 14 GLU H 4.000 . 4.750 3.533 3.509 3.553 . 0 0 "[ . 1 . 2]" 1
469 1 13 PRO HD3 1 14 GLU H 4.000 . 4.750 3.997 3.964 4.046 . 0 0 "[ . 1 . 2]" 1
470 1 13 PRO HD2 1 14 GLU H 3.000 . 3.500 2.946 2.889 3.038 . 0 0 "[ . 1 . 2]" 1
471 1 13 PRO QB 1 14 GLU H 3.000 . 3.500 3.069 2.943 3.202 . 0 0 "[ . 1 . 2]" 1
472 1 14 GLU H 1 15 GLU H 3.000 . 3.500 2.614 2.497 2.698 . 0 0 "[ . 1 . 2]" 1
473 1 14 GLU H 1 15 GLU QB 4.000 . 4.750 4.548 4.340 4.753 0.003 15 0 "[ . 1 . 2]" 1
474 1 14 GLU H 1 15 GLU QG 5.000 . 6.000 4.549 4.173 5.115 . 0 0 "[ . 1 . 2]" 1
475 1 14 GLU HA 1 15 GLU H 4.000 . 4.750 3.546 3.520 3.560 . 0 0 "[ . 1 . 2]" 1
476 1 14 GLU QB 1 15 GLU H 3.000 . 3.500 2.587 2.395 3.329 . 0 0 "[ . 1 . 2]" 1
477 1 14 GLU QG 1 15 GLU H 4.000 . 4.750 4.089 1.980 4.429 . 0 0 "[ . 1 . 2]" 1
478 1 15 GLU H 1 16 ARG H 3.000 . 3.500 2.574 2.489 2.683 . 0 0 "[ . 1 . 2]" 1
479 1 15 GLU H 1 16 ARG HA 5.000 . 6.000 5.204 5.137 5.293 . 0 0 "[ . 1 . 2]" 1
480 1 15 GLU H 1 16 ARG QB 4.000 . 4.750 4.296 4.197 4.397 . 0 0 "[ . 1 . 2]" 1
481 1 15 GLU HA 1 16 ARG H 3.000 . 3.500 3.512 3.495 3.529 0.029 11 0 "[ . 1 . 2]" 1
482 1 15 GLU QB 1 16 ARG H 3.000 . 3.500 2.686 2.593 2.763 . 0 0 "[ . 1 . 2]" 1
483 1 16 ARG H 1 17 SER H 3.000 . 3.500 2.514 2.450 2.593 . 0 0 "[ . 1 . 2]" 1
484 1 16 ARG HA 1 17 SER H 3.000 . 3.500 3.502 3.476 3.528 0.028 19 0 "[ . 1 . 2]" 1
485 1 16 ARG QB 1 17 SER H 3.000 . 3.500 2.782 2.529 2.938 . 0 0 "[ . 1 . 2]" 1
486 1 16 ARG QD 1 17 SER H 5.000 . 6.000 5.131 4.716 5.582 . 0 0 "[ . 1 . 2]" 1
487 1 17 SER H 1 18 ALA H 2.500 . 2.800 2.599 2.492 2.800 0.000 7 0 "[ . 1 . 2]" 1
488 1 17 SER H 1 18 ALA MB 5.000 . 6.000 4.216 4.138 4.397 . 0 0 "[ . 1 . 2]" 1
489 1 17 SER HA 1 18 ALA H 3.000 . 3.500 3.531 3.503 3.556 0.056 7 0 "[ . 1 . 2]" 1
490 1 17 SER QB 1 18 ALA H 4.000 . 4.750 2.634 2.181 3.338 . 0 0 "[ . 1 . 2]" 1
491 1 18 ALA H 1 19 VAL H 2.500 . 2.800 2.654 2.559 2.733 . 0 0 "[ . 1 . 2]" 1
492 1 18 ALA H 1 19 VAL HB 4.000 . 4.750 4.762 4.631 4.778 0.028 18 0 "[ . 1 . 2]" 1
493 1 18 ALA HA 1 19 VAL H 3.000 . 3.500 3.536 3.526 3.545 0.045 11 0 "[ . 1 . 2]" 1
494 1 18 ALA MB 1 19 VAL H 3.000 . 3.500 2.518 2.272 2.664 . 0 0 "[ . 1 . 2]" 1
495 1 18 ALA MB 1 19 VAL HA 5.000 . 6.000 3.716 3.639 3.803 . 0 0 "[ . 1 . 2]" 1
496 1 19 VAL H 1 20 GLU H 2.500 . 2.800 2.811 2.686 2.852 0.052 11 0 "[ . 1 . 2]" 1
497 1 19 VAL H 1 20 GLU QB 4.000 . 4.750 4.682 4.435 4.789 0.039 11 0 "[ . 1 . 2]" 1
498 1 19 VAL H 1 20 GLU QG 5.000 . 6.000 4.725 4.223 5.756 . 0 0 "[ . 1 . 2]" 1
499 1 19 VAL HA 1 20 GLU H 3.000 . 3.500 3.545 3.531 3.554 0.054 18 0 "[ . 1 . 2]" 1
500 1 19 VAL HB 1 20 GLU H 3.000 . 3.500 2.352 2.198 2.714 . 0 0 "[ . 1 . 2]" 1
501 1 20 GLU H 1 21 ASN H 3.000 . 3.500 2.687 2.555 2.811 . 0 0 "[ . 1 . 2]" 1
502 1 20 GLU H 1 21 ASN QB 5.000 . 6.000 4.570 4.245 4.835 . 0 0 "[ . 1 . 2]" 1
503 1 20 GLU HA 1 21 ASN H 3.000 . 3.500 3.503 3.464 3.532 0.032 7 0 "[ . 1 . 2]" 1
504 1 20 GLU QB 1 21 ASN H 3.000 . 3.500 3.286 2.678 3.504 0.004 8 0 "[ . 1 . 2]" 1
505 1 20 GLU QB 1 21 ASN QB 5.000 . 6.000 4.834 3.938 5.224 . 0 0 "[ . 1 . 2]" 1
506 1 20 GLU QG 1 21 ASN H 4.000 . 4.750 2.760 1.962 4.486 . 0 0 "[ . 1 . 2]" 1
507 1 21 ASN HA 1 22 TYR H 3.000 . 3.500 3.493 3.470 3.510 0.010 3 0 "[ . 1 . 2]" 1
508 1 21 ASN HD21 1 22 TYR H 5.000 . 6.000 4.332 2.930 4.929 . 0 0 "[ . 1 . 2]" 1
509 1 21 ASN HD22 1 22 TYR H 5.000 . 6.000 5.321 3.835 6.030 0.030 15 0 "[ . 1 . 2]" 1
510 1 21 ASN QB 1 22 TYR H 3.000 . 3.500 2.854 2.653 3.157 . 0 0 "[ . 1 . 2]" 1
511 1 22 TYR H 1 23 LEU H 3.000 . 3.500 2.575 2.512 2.634 . 0 0 "[ . 1 . 2]" 1
512 1 22 TYR HA 1 23 LEU H 4.000 . 4.750 3.558 3.536 3.571 . 0 0 "[ . 1 . 2]" 1
513 1 22 TYR HB3 1 23 LEU H 3.000 . 3.500 2.645 2.532 2.796 . 0 0 "[ . 1 . 2]" 1
514 1 22 TYR HB3 1 23 LEU HG 5.000 . 6.000 3.573 3.245 3.724 . 0 0 "[ . 1 . 2]" 1
515 1 22 TYR HB2 1 23 LEU H 4.000 . 4.750 3.982 3.920 4.078 . 0 0 "[ . 1 . 2]" 1
516 1 22 TYR HB2 1 23 LEU HG 5.000 . 6.000 5.204 4.829 5.376 . 0 0 "[ . 1 . 2]" 1
517 1 22 TYR QD 1 23 LEU H 4.000 . 4.750 3.257 2.825 3.524 . 0 0 "[ . 1 . 2]" 1
518 1 22 TYR QD 1 23 LEU HA 5.000 . 6.000 3.917 3.431 4.207 . 0 0 "[ . 1 . 2]" 1
519 1 22 TYR QD 1 23 LEU HB3 5.000 . 6.000 5.039 4.724 5.418 . 0 0 "[ . 1 . 2]" 1
520 1 22 TYR QE 1 23 LEU H 5.000 . 6.000 5.018 4.797 5.174 . 0 0 "[ . 1 . 2]" 1
521 1 22 TYR QE 1 23 LEU HA 4.000 . 4.750 4.438 4.013 4.675 . 0 0 "[ . 1 . 2]" 1
522 1 22 TYR QE 1 23 LEU HB3 5.000 . 6.000 5.650 5.367 5.967 . 0 0 "[ . 1 . 2]" 1
523 1 22 TYR QE 1 23 LEU HG 5.000 . 6.000 4.654 3.426 5.438 . 0 0 "[ . 1 . 2]" 1
524 1 23 LEU H 1 24 GLU H 3.000 . 3.500 2.583 2.495 2.669 . 0 0 "[ . 1 . 2]" 1
525 1 23 LEU H 1 24 GLU HA 5.000 . 6.000 5.205 5.124 5.280 . 0 0 "[ . 1 . 2]" 1
526 1 23 LEU HA 1 24 GLU H 3.000 . 3.500 3.525 3.506 3.539 0.039 4 0 "[ . 1 . 2]" 1
527 1 23 LEU HB2 1 24 GLU H 3.000 . 3.500 2.649 2.505 2.837 . 0 0 "[ . 1 . 2]" 1
528 1 23 LEU HG 1 24 GLU H 4.000 . 4.750 3.963 3.679 4.554 . 0 0 "[ . 1 . 2]" 1
529 1 23 LEU QD 1 24 GLU H 4.000 . 4.750 3.924 3.828 4.148 . 0 0 "[ . 1 . 2]" 1
530 1 24 GLU H 1 25 SER H 3.000 . 3.500 2.692 2.631 2.735 . 0 0 "[ . 1 . 2]" 1
531 1 24 GLU H 1 25 SER QB 4.000 . 4.750 4.473 4.379 4.750 0.000 5 0 "[ . 1 . 2]" 1
532 1 24 GLU HA 1 25 SER H 3.000 . 3.500 3.543 3.541 3.545 0.045 9 0 "[ . 1 . 2]" 1
533 1 24 GLU QB 1 25 SER H 3.000 . 3.500 2.444 2.359 2.555 . 0 0 "[ . 1 . 2]" 1
534 1 24 GLU QG 1 25 SER H 4.000 . 4.750 4.094 3.487 4.354 . 0 0 "[ . 1 . 2]" 1
535 1 25 SER H 1 26 LEU H 3.000 . 3.500 2.515 2.480 2.541 . 0 0 "[ . 1 . 2]" 1
536 1 25 SER H 1 26 LEU HB3 5.000 . 6.000 5.857 5.787 5.933 . 0 0 "[ . 1 . 2]" 1
537 1 25 SER H 1 26 LEU HG 5.000 . 6.000 5.064 4.671 5.332 . 0 0 "[ . 1 . 2]" 1
538 1 25 SER HA 1 26 LEU H 3.000 . 3.500 3.461 3.447 3.490 . 0 0 "[ . 1 . 2]" 1
539 1 25 SER QB 1 26 LEU H 4.000 . 4.750 2.912 2.739 3.563 . 0 0 "[ . 1 . 2]" 1
540 1 26 LEU H 1 27 THR H 3.000 . 3.500 2.759 2.542 2.989 . 0 0 "[ . 1 . 2]" 1
541 1 26 LEU HA 1 27 THR H 3.000 . 3.500 3.524 3.466 3.551 0.051 6 0 "[ . 1 . 2]" 1
542 1 26 LEU HB3 1 27 THR H 4.000 . 4.750 3.019 2.598 3.646 . 0 0 "[ . 1 . 2]" 1
543 1 26 LEU HB2 1 27 THR H 4.000 . 4.750 2.772 2.638 3.029 . 0 0 "[ . 1 . 2]" 1
544 1 26 LEU HG 1 27 THR H 4.000 . 4.750 4.777 4.750 4.814 0.064 15 0 "[ . 1 . 2]" 1
545 1 27 THR H 1 28 GLN QB 4.000 . 4.750 4.552 4.290 4.768 0.018 15 0 "[ . 1 . 2]" 1
546 1 27 THR HA 1 28 GLN H 3.000 . 3.500 3.495 3.456 3.552 0.052 12 0 "[ . 1 . 2]" 1
547 1 27 THR MG 1 28 GLN H 5.000 . 6.000 4.017 2.323 4.342 . 0 0 "[ . 1 . 2]" 1
548 1 28 GLN HA 1 29 VAL H 3.000 . 3.500 3.506 3.485 3.549 0.049 14 0 "[ . 1 . 2]" 1
549 1 28 GLN HE22 1 29 VAL H 4.000 . 4.750 4.693 4.441 4.763 0.013 15 0 "[ . 1 . 2]" 1
550 1 29 VAL H 1 30 LEU H 4.000 . 4.750 4.319 3.925 4.647 . 0 0 "[ . 1 . 2]" 1
551 1 29 VAL H 1 30 LEU QB 5.000 . 6.000 5.449 5.007 5.938 . 0 0 "[ . 1 . 2]" 1
552 1 29 VAL HA 1 30 LEU H 2.500 . 2.800 2.234 2.141 2.392 . 0 0 "[ . 1 . 2]" 1
553 1 29 VAL HB 1 30 LEU H 4.000 . 4.750 4.200 3.405 4.494 . 0 0 "[ . 1 . 2]" 1
554 1 30 LEU HA 1 31 GLN H 2.500 . 2.800 2.333 2.133 2.733 . 0 0 "[ . 1 . 2]" 1
555 1 30 LEU MD1 1 31 GLN H 5.000 . 6.000 4.812 3.168 5.435 . 0 0 "[ . 1 . 2]" 1
556 1 30 LEU MD2 1 31 GLN H 4.000 . 4.750 3.692 2.625 4.609 . 0 0 "[ . 1 . 2]" 1
557 1 30 LEU QB 1 31 GLN H 3.000 . 3.500 2.789 1.946 3.506 0.006 16 0 "[ . 1 . 2]" 1
558 1 30 LEU QB 1 31 GLN HE21 5.000 . 6.000 5.244 4.189 6.000 0.000 13 0 "[ . 1 . 2]" 1
559 1 31 GLN H 1 32 VAL H 4.000 . 4.750 2.838 1.904 4.601 . 0 0 "[ . 1 . 2]" 1
560 1 31 GLN HA 1 32 VAL H 3.000 . 3.500 3.260 2.313 3.553 0.053 8 0 "[ . 1 . 2]" 1
561 1 31 GLN QB 1 32 VAL H 2.500 . 2.800 2.488 1.926 2.802 0.002 5 0 "[ . 1 . 2]" 1
562 1 31 GLN QG 1 32 VAL H 4.000 . 4.750 3.801 1.900 4.590 . 0 0 "[ . 1 . 2]" 1
563 1 32 VAL H 1 33 PRO QD 3.000 . 3.500 2.824 1.971 3.505 0.005 6 0 "[ . 1 . 2]" 1
564 1 32 VAL HA 1 33 PRO QD 2.500 . 2.800 2.143 1.914 2.403 . 0 0 "[ . 1 . 2]" 1
565 1 32 VAL HB 1 33 PRO QD 4.000 . 4.750 4.099 3.698 4.326 . 0 0 "[ . 1 . 2]" 1
566 1 33 PRO HA 1 34 GLY H 3.000 . 3.500 3.191 2.383 3.553 0.053 1 0 "[ . 1 . 2]" 1
567 1 33 PRO QB 1 34 GLY H 4.000 . 4.750 2.844 1.964 4.018 . 0 0 "[ . 1 . 2]" 1
568 1 33 PRO QD 1 34 GLY H 4.000 . 4.750 3.406 2.561 4.757 0.007 7 0 "[ . 1 . 2]" 1
569 1 34 GLY H 1 35 PRO QD 3.000 . 3.500 2.783 1.963 3.503 0.003 6 0 "[ . 1 . 2]" 1
570 1 34 GLY QA 1 35 PRO QD 3.000 . 3.500 2.101 1.918 2.372 . 0 0 "[ . 1 . 2]" 1
571 1 35 PRO HA 1 36 THR H 3.000 . 3.500 2.718 2.147 3.539 0.039 6 0 "[ . 1 . 2]" 1
572 1 35 PRO QB 1 36 THR H 3.000 . 3.500 2.766 2.044 3.361 . 0 0 "[ . 1 . 2]" 1
573 1 35 PRO QG 1 36 THR H 4.000 . 4.750 3.914 2.119 4.662 . 0 0 "[ . 1 . 2]" 1
574 1 36 THR HA 1 37 GLY H 2.500 . 2.800 2.374 2.145 2.801 0.001 1 0 "[ . 1 . 2]" 1
575 1 36 THR MG 1 37 GLY H 5.000 . 6.000 3.400 1.969 4.373 . 0 0 "[ . 1 . 2]" 1
576 1 37 GLY QA 1 38 ALA H 3.000 . 3.500 2.379 2.130 2.929 . 0 0 "[ . 1 . 2]" 1
577 1 38 ALA HA 1 39 SER H 2.500 . 2.800 2.351 2.145 2.802 0.002 17 0 "[ . 1 . 2]" 1
578 1 38 ALA MB 1 39 SER H 4.000 . 4.750 3.030 1.985 3.695 . 0 0 "[ . 1 . 2]" 1
579 1 39 SER HA 1 40 ALA H 3.000 . 3.500 2.746 2.143 3.540 0.040 18 0 "[ . 1 . 2]" 1
580 1 39 SER QB 1 40 ALA H 4.000 . 4.750 3.228 1.952 4.027 . 0 0 "[ . 1 . 2]" 1
581 1 40 ALA HA 1 41 ALA H 2.500 . 2.800 2.438 2.141 2.803 0.003 1 0 "[ . 1 . 2]" 1
582 1 41 ALA H 1 42 PRO QD 4.000 . 4.750 3.831 1.961 4.416 . 0 0 "[ . 1 . 2]" 1
583 1 41 ALA HA 1 42 PRO QG 5.000 . 6.000 4.167 3.821 5.315 . 0 0 "[ . 1 . 2]" 1
584 1 41 ALA HA 1 42 PRO QD 3.000 . 3.500 2.291 1.917 3.522 0.022 5 0 "[ . 1 . 2]" 1
585 1 41 ALA MB 1 42 PRO QD 4.000 . 4.750 2.430 1.838 3.537 . 0 0 "[ . 1 . 2]" 1
586 1 42 PRO HA 1 43 ILE H 2.500 . 2.800 2.418 2.149 2.719 . 0 0 "[ . 1 . 2]" 1
587 1 42 PRO HA 1 43 ILE HB 5.000 . 6.000 4.450 4.281 4.903 . 0 0 "[ . 1 . 2]" 1
588 1 42 PRO QB 1 43 ILE H 3.000 . 3.500 2.655 2.016 3.503 0.003 5 0 "[ . 1 . 2]" 1
589 1 42 PRO QG 1 43 ILE H 4.000 . 4.750 4.257 3.687 4.759 0.009 3 0 "[ . 1 . 2]" 1
590 1 42 PRO QD 1 43 ILE H 5.000 . 6.000 4.879 4.681 5.010 . 0 0 "[ . 1 . 2]" 1
591 1 43 ILE HA 1 44 SER H 2.500 . 2.800 2.222 2.124 2.281 . 0 0 "[ . 1 . 2]" 1
592 1 43 ILE HB 1 44 SER H 4.000 . 4.750 4.460 4.114 4.563 . 0 0 "[ . 1 . 2]" 1
593 1 44 SER HA 1 45 LEU H 2.500 . 2.800 2.187 2.124 2.274 . 0 0 "[ . 1 . 2]" 1
594 1 44 SER HA 1 45 LEU MD1 5.000 . 6.000 3.531 2.526 4.972 . 0 0 "[ . 1 . 2]" 1
595 1 44 SER HA 1 45 LEU MD2 5.000 . 6.000 3.997 2.573 4.913 . 0 0 "[ . 1 . 2]" 1
596 1 44 SER QB 1 45 LEU H 3.000 . 3.500 3.107 2.836 3.520 0.020 12 0 "[ . 1 . 2]" 1
597 1 44 SER QB 1 45 LEU MD1 5.000 . 6.000 4.285 3.920 5.748 . 0 0 "[ . 1 . 2]" 1
598 1 45 LEU H 1 46 ALA H 4.000 . 4.750 4.533 4.442 4.634 . 0 0 "[ . 1 . 2]" 1
599 1 45 LEU H 1 46 ALA MB 5.000 . 6.000 5.577 5.449 5.765 . 0 0 "[ . 1 . 2]" 1
600 1 45 LEU HA 1 46 ALA H 3.000 . 3.500 2.194 2.158 2.351 . 0 0 "[ . 1 . 2]" 1
601 1 45 LEU HA 1 46 ALA MB 5.000 . 6.000 3.915 3.867 3.960 . 0 0 "[ . 1 . 2]" 1
602 1 45 LEU HG 1 46 ALA H 5.000 . 6.000 5.218 4.784 5.533 . 0 0 "[ . 1 . 2]" 1
603 1 45 LEU MD1 1 46 ALA H 5.000 . 6.000 4.392 3.959 5.053 . 0 0 "[ . 1 . 2]" 1
604 1 45 LEU MD2 1 46 ALA H 5.000 . 6.000 4.722 3.789 5.091 . 0 0 "[ . 1 . 2]" 1
605 1 45 LEU QB 1 46 ALA H 4.000 . 4.750 2.955 2.459 3.144 . 0 0 "[ . 1 . 2]" 1
606 1 46 ALA HA 1 47 LEU H 5.000 . 6.000 2.176 2.149 2.227 . 0 0 "[ . 1 . 2]" 1
607 1 46 ALA HA 1 47 LEU QB 4.000 . 4.750 4.356 4.059 4.621 . 0 0 "[ . 1 . 2]" 1
608 1 46 ALA HA 1 47 LEU QD 4.000 . 4.750 3.733 3.014 4.480 . 0 0 "[ . 1 . 2]" 1
609 1 46 ALA MB 1 47 LEU HA 4.000 . 4.750 4.447 4.401 4.482 . 0 0 "[ . 1 . 2]" 1
610 1 47 LEU HA 1 48 ASN H 3.000 . 3.500 2.178 2.114 2.251 . 0 0 "[ . 1 . 2]" 1
611 1 48 ASN HA 1 49 ALA H 4.000 . 4.750 2.620 2.609 2.630 . 0 0 "[ . 1 . 2]" 1
612 1 48 ASN HB3 1 49 ALA H 4.000 . 4.750 2.029 2.023 2.037 . 0 0 "[ . 1 . 2]" 1
613 1 48 ASN HB3 1 49 ALA MB 5.000 . 6.000 3.611 3.571 3.677 . 0 0 "[ . 1 . 2]" 1
614 1 48 ASN HB2 1 49 ALA H 3.000 . 3.500 3.513 3.390 3.544 0.044 11 0 "[ . 1 . 2]" 1
615 1 48 ASN HB2 1 49 ALA MB 5.000 . 6.000 4.889 4.682 5.017 . 0 0 "[ . 1 . 2]" 1
616 1 48 ASN HD21 1 49 ALA H 5.000 . 6.000 4.272 3.847 4.713 . 0 0 "[ . 1 . 2]" 1
617 1 49 ALA HA 1 50 GLU H 4.000 . 4.750 3.498 3.467 3.526 . 0 0 "[ . 1 . 2]" 1
618 1 49 ALA MB 1 50 GLU H 3.000 . 3.500 2.807 2.718 2.928 . 0 0 "[ . 1 . 2]" 1
619 1 49 ALA MB 1 50 GLU QB 4.000 . 4.750 3.961 3.848 4.076 . 0 0 "[ . 1 . 2]" 1
620 1 50 GLU H 1 51 SER H 2.500 . 2.800 2.473 2.344 2.579 . 0 0 "[ . 1 . 2]" 1
621 1 50 GLU HA 1 51 SER H 3.000 . 3.500 3.427 3.422 3.442 . 0 0 "[ . 1 . 2]" 1
622 1 50 GLU QB 1 51 SER H 3.000 . 3.500 3.054 3.024 3.082 . 0 0 "[ . 1 . 2]" 1
623 1 51 SER H 1 52 ASN H 3.000 . 3.500 2.753 2.646 2.829 . 0 0 "[ . 1 . 2]" 1
624 1 51 SER HA 1 52 ASN H 4.000 . 4.750 3.418 3.402 3.451 . 0 0 "[ . 1 . 2]" 1
625 1 51 SER QB 1 52 ASN H 5.000 . 6.000 3.196 2.959 3.711 . 0 0 "[ . 1 . 2]" 1
626 1 52 ASN H 1 53 ASN H 3.000 . 3.500 2.339 2.262 2.615 . 0 0 "[ . 1 . 2]" 1
627 1 52 ASN H 1 53 ASN HA 5.000 . 6.000 4.987 4.935 5.078 . 0 0 "[ . 1 . 2]" 1
628 1 52 ASN H 1 53 ASN HB3 5.000 . 6.000 5.861 5.784 5.930 . 0 0 "[ . 1 . 2]" 1
629 1 52 ASN H 1 53 ASN HB2 4.000 . 4.750 4.783 4.756 4.803 0.053 15 0 "[ . 1 . 2]" 1
630 1 52 ASN HA 1 53 ASN H 4.000 . 4.750 3.413 3.165 3.534 . 0 0 "[ . 1 . 2]" 1
631 1 52 ASN HB3 1 53 ASN H 4.000 . 4.750 4.131 3.825 4.522 . 0 0 "[ . 1 . 2]" 1
632 1 52 ASN HB2 1 53 ASN H 4.000 . 4.750 3.104 2.614 3.803 . 0 0 "[ . 1 . 2]" 1
633 1 52 ASN HB2 1 53 ASN HA 5.000 . 6.000 4.387 4.156 4.653 . 0 0 "[ . 1 . 2]" 1
634 1 53 ASN H 1 54 VAL H 4.000 . 4.750 4.203 4.025 4.336 . 0 0 "[ . 1 . 2]" 1
635 1 53 ASN HA 1 54 VAL H 2.500 . 2.800 2.164 2.155 2.175 . 0 0 "[ . 1 . 2]" 1
636 1 53 ASN HB3 1 54 VAL H 4.000 . 4.750 3.778 3.751 3.802 . 0 0 "[ . 1 . 2]" 1
637 1 53 ASN HB2 1 54 VAL H 4.000 . 4.750 4.268 4.228 4.293 . 0 0 "[ . 1 . 2]" 1
638 1 54 VAL H 1 55 MET H 4.000 . 4.750 4.557 4.488 4.594 . 0 0 "[ . 1 . 2]" 1
639 1 54 VAL HA 1 55 MET H 3.000 . 3.500 2.174 2.109 2.226 . 0 0 "[ . 1 . 2]" 1
640 1 54 VAL HB 1 55 MET H 4.000 . 4.750 3.976 3.829 4.154 . 0 0 "[ . 1 . 2]" 1
641 1 55 MET H 1 56 MET H 4.000 . 4.750 4.404 4.357 4.489 . 0 0 "[ . 1 . 2]" 1
642 1 55 MET H 1 56 MET QG 5.000 . 6.000 4.715 4.514 4.932 . 0 0 "[ . 1 . 2]" 1
643 1 55 MET HA 1 56 MET H 3.000 . 3.500 2.158 2.143 2.167 . 0 0 "[ . 1 . 2]" 1
644 1 55 MET HB3 1 56 MET H 3.000 . 3.500 3.500 3.377 3.519 0.019 19 0 "[ . 1 . 2]" 1
645 1 55 MET HB2 1 56 MET H 4.000 . 4.750 4.456 4.389 4.468 . 0 0 "[ . 1 . 2]" 1
646 1 55 MET QG 1 56 MET H 3.000 . 3.500 3.446 3.311 3.545 0.045 5 0 "[ . 1 . 2]" 1
647 1 56 MET HA 1 57 LEU H 2.500 . 2.800 2.174 2.158 2.191 . 0 0 "[ . 1 . 2]" 1
648 1 56 MET HA 1 57 LEU HG 5.000 . 6.000 4.298 4.208 4.414 . 0 0 "[ . 1 . 2]" 1
649 1 56 MET HA 1 57 LEU MD1 5.000 . 6.000 5.508 5.444 5.584 . 0 0 "[ . 1 . 2]" 1
650 1 56 MET HA 1 57 LEU MD2 5.000 . 6.000 3.424 3.304 3.513 . 0 0 "[ . 1 . 2]" 1
651 1 56 MET HA 1 57 LEU QB 4.000 . 4.750 4.381 4.350 4.415 . 0 0 "[ . 1 . 2]" 1
652 1 56 MET HB3 1 57 LEU H 3.000 . 3.500 3.302 3.201 3.431 . 0 0 "[ . 1 . 2]" 1
653 1 56 MET HB2 1 57 LEU H 4.000 . 4.750 4.022 3.653 4.274 . 0 0 "[ . 1 . 2]" 1
654 1 56 MET QG 1 57 LEU H 4.000 . 4.750 4.345 3.962 4.782 0.032 17 0 "[ . 1 . 2]" 1
655 1 57 LEU H 1 58 THR H 4.000 . 4.750 4.300 4.275 4.327 . 0 0 "[ . 1 . 2]" 1
656 1 57 LEU HA 1 58 THR H 2.500 . 2.800 2.221 2.199 2.252 . 0 0 "[ . 1 . 2]" 1
657 1 57 LEU HA 1 58 THR HA 5.000 . 6.000 4.371 4.358 4.380 . 0 0 "[ . 1 . 2]" 1
658 1 57 LEU MD1 1 58 THR H 4.000 . 4.750 3.868 3.781 3.936 . 0 0 "[ . 1 . 2]" 1
659 1 57 LEU MD1 1 58 THR HA 5.000 . 6.000 4.412 4.372 4.464 . 0 0 "[ . 1 . 2]" 1
660 1 57 LEU MD2 1 58 THR H 5.000 . 6.000 4.994 4.949 5.020 . 0 0 "[ . 1 . 2]" 1
661 1 57 LEU MD2 1 58 THR HA 5.000 . 6.000 5.749 5.718 5.788 . 0 0 "[ . 1 . 2]" 1
662 1 57 LEU QB 1 58 THR H 2.500 . 2.800 2.776 2.697 2.817 0.017 3 0 "[ . 1 . 2]" 1
663 1 57 LEU QB 1 58 THR HA 5.000 . 6.000 4.511 4.476 4.544 . 0 0 "[ . 1 . 2]" 1
664 1 58 THR H 1 59 HIS H 4.000 . 4.750 4.311 4.300 4.322 . 0 0 "[ . 1 . 2]" 1
665 1 58 THR HA 1 59 HIS H 2.500 . 2.800 2.180 2.176 2.185 . 0 0 "[ . 1 . 2]" 1
666 1 58 THR HA 1 59 HIS HB3 5.000 . 6.000 5.127 5.068 5.149 . 0 0 "[ . 1 . 2]" 1
667 1 58 THR HB 1 59 HIS H 4.000 . 4.750 4.421 4.326 4.466 . 0 0 "[ . 1 . 2]" 1
668 1 58 THR MG 1 59 HIS H 4.000 . 4.750 4.138 4.074 4.252 . 0 0 "[ . 1 . 2]" 1
669 1 58 THR MG 1 59 HIS HA 4.000 . 4.750 4.054 3.910 4.232 . 0 0 "[ . 1 . 2]" 1
670 1 58 THR MG 1 59 HIS HD2 5.000 . 6.000 4.839 4.767 4.975 . 0 0 "[ . 1 . 2]" 1
671 1 59 HIS HA 1 60 ALA H 3.000 . 3.500 2.288 2.270 2.305 . 0 0 "[ . 1 . 2]" 1
672 1 59 HIS HA 1 60 ALA MB 5.000 . 6.000 3.952 3.931 3.997 . 0 0 "[ . 1 . 2]" 1
673 1 59 HIS HB3 1 60 ALA H 5.000 . 6.000 3.310 3.256 3.372 . 0 0 "[ . 1 . 2]" 1
674 1 59 HIS HB2 1 60 ALA H 5.000 . 6.000 4.165 4.134 4.207 . 0 0 "[ . 1 . 2]" 1
675 1 59 HIS HD2 1 60 ALA H 5.000 . 6.000 5.197 5.069 5.289 . 0 0 "[ . 1 . 2]" 1
676 1 59 HIS HE1 1 60 ALA MB 4.000 . 4.750 4.612 4.372 4.706 . 0 0 "[ . 1 . 2]" 1
677 1 60 ALA HA 1 61 ILE H 3.000 . 3.500 2.163 2.152 2.208 . 0 0 "[ . 1 . 2]" 1
678 1 60 ALA MB 1 61 ILE H 4.000 . 4.750 3.140 2.926 3.287 . 0 0 "[ . 1 . 2]" 1
679 1 61 ILE H 1 62 THR H 4.000 . 4.750 4.493 4.421 4.578 . 0 0 "[ . 1 . 2]" 1
680 1 61 ILE HA 1 62 THR H 2.500 . 2.800 2.152 2.125 2.263 . 0 0 "[ . 1 . 2]" 1
681 1 61 ILE HB 1 62 THR H 4.000 . 4.750 3.930 3.675 4.139 . 0 0 "[ . 1 . 2]" 1
682 1 61 ILE MD 1 62 THR H 4.000 . 4.750 4.069 3.860 4.785 0.035 15 0 "[ . 1 . 2]" 1
683 1 62 THR HA 1 63 ARG H 2.500 . 2.800 2.306 2.236 2.322 . 0 0 "[ . 1 . 2]" 1
684 1 62 THR HB 1 63 ARG H 3.000 . 3.500 3.272 3.213 3.415 . 0 0 "[ . 1 . 2]" 1
685 1 62 THR HG1 1 63 ARG H 5.000 . 6.000 4.933 4.765 5.157 . 0 0 "[ . 1 . 2]" 1
686 1 62 THR MG 1 63 ARG H 3.000 . 3.500 2.452 2.162 2.803 . 0 0 "[ . 1 . 2]" 1
687 1 62 THR MG 1 63 ARG HA 5.000 . 6.000 4.631 4.433 4.813 . 0 0 "[ . 1 . 2]" 1
688 1 63 ARG H 1 64 TYR H 4.000 . 4.750 4.211 4.109 4.312 . 0 0 "[ . 1 . 2]" 1
689 1 63 ARG H 1 64 TYR QD 4.000 . 4.750 4.051 3.801 4.307 . 0 0 "[ . 1 . 2]" 1
690 1 63 ARG HA 1 64 TYR H 3.000 . 3.500 2.135 2.126 2.148 . 0 0 "[ . 1 . 2]" 1
691 1 63 ARG HA 1 64 TYR QD 5.000 . 6.000 3.771 3.531 4.012 . 0 0 "[ . 1 . 2]" 1
692 1 63 ARG QB 1 64 TYR H 4.000 . 4.750 3.755 3.525 3.870 . 0 0 "[ . 1 . 2]" 1
693 1 63 ARG QG 1 64 TYR H 3.000 . 3.500 3.341 3.098 3.517 0.017 20 0 "[ . 1 . 2]" 1
694 1 63 ARG QD 1 64 TYR H 5.000 . 6.000 5.079 4.320 5.344 . 0 0 "[ . 1 . 2]" 1
695 1 64 TYR HB3 1 65 GLY H 4.000 . 4.750 3.916 3.900 3.933 . 0 0 "[ . 1 . 2]" 1
696 1 64 TYR HB2 1 65 GLY H 4.000 . 4.750 4.553 4.536 4.573 . 0 0 "[ . 1 . 2]" 1
697 1 64 TYR QD 1 65 GLY H 4.000 . 4.750 4.627 4.492 4.740 . 0 0 "[ . 1 . 2]" 1
698 1 65 GLY QA 1 66 ILE H 3.000 . 3.500 2.118 2.093 2.189 . 0 0 "[ . 1 . 2]" 1
699 1 66 ILE H 1 67 SER H 4.000 . 4.750 1.972 1.819 2.193 . 0 0 "[ . 1 . 2]" 1
700 1 66 ILE HA 1 67 SER H 3.000 . 3.500 3.300 3.021 3.542 0.042 7 0 "[ . 1 . 2]" 1
701 1 66 ILE HB 1 67 SER H 4.000 . 4.750 3.904 2.695 4.461 . 0 0 "[ . 1 . 2]" 1
702 1 67 SER H 1 68 THR H 5.000 . 6.000 2.260 1.797 2.826 0.003 6 0 "[ . 1 . 2]" 1
703 1 67 SER HA 1 68 THR H 3.000 . 3.500 3.482 3.451 3.511 0.011 14 0 "[ . 1 . 2]" 1
704 1 67 SER QB 1 68 THR H 4.000 . 4.750 2.851 2.736 2.939 . 0 0 "[ . 1 . 2]" 1
705 1 68 THR HA 1 69 ASP H 3.000 . 3.500 2.434 2.404 2.500 . 0 0 "[ . 1 . 2]" 1
706 1 68 THR MG 1 69 ASP H 5.000 . 6.000 1.888 1.870 1.931 . 0 0 "[ . 1 . 2]" 1
707 1 69 ASP H 1 70 ASP H 3.000 . 3.500 2.625 2.419 2.726 . 0 0 "[ . 1 . 2]" 1
708 1 69 ASP HA 1 70 ASP H 3.000 . 3.500 3.056 2.987 3.169 . 0 0 "[ . 1 . 2]" 1
709 1 69 ASP QB 1 70 ASP H 4.000 . 4.750 3.738 3.612 4.003 . 0 0 "[ . 1 . 2]" 1
710 1 70 ASP H 1 71 PRO QD 4.000 . 4.750 4.293 4.245 4.337 . 0 0 "[ . 1 . 2]" 1
711 1 70 ASP HA 1 71 PRO QD 3.000 . 3.500 2.032 2.006 2.050 . 0 0 "[ . 1 . 2]" 1
712 1 70 ASP QB 1 71 PRO QD 4.000 . 4.750 2.902 2.482 3.374 . 0 0 "[ . 1 . 2]" 1
713 1 71 PRO HA 1 72 ASN H 4.000 . 4.750 2.336 2.319 2.391 . 0 0 "[ . 1 . 2]" 1
714 1 71 PRO QB 1 72 ASN H 4.000 . 4.750 3.844 3.833 3.876 . 0 0 "[ . 1 . 2]" 1
715 1 71 PRO QG 1 72 ASN H 4.000 . 4.750 4.779 4.762 4.795 0.045 20 0 "[ . 1 . 2]" 1
716 1 71 PRO QD 1 72 ASN H 4.000 . 4.750 4.538 4.502 4.583 . 0 0 "[ . 1 . 2]" 1
717 1 72 ASN H 1 73 LYS H 4.000 . 4.750 4.336 4.296 4.353 . 0 0 "[ . 1 . 2]" 1
718 1 72 ASN HA 1 73 LYS H 4.000 . 4.750 2.693 2.656 2.771 . 0 0 "[ . 1 . 2]" 1
719 1 72 ASN QB 1 73 LYS H 4.000 . 4.750 1.876 1.792 2.141 0.008 15 0 "[ . 1 . 2]" 1
720 1 73 LYS H 1 74 TRP H 4.000 . 4.750 4.383 4.337 4.422 . 0 0 "[ . 1 . 2]" 1
721 1 73 LYS H 1 74 TRP HA 5.000 . 6.000 5.782 5.720 5.843 . 0 0 "[ . 1 . 2]" 1
722 1 73 LYS H 1 74 TRP HD1 5.000 . 6.000 5.485 5.398 5.559 . 0 0 "[ . 1 . 2]" 1
723 1 73 LYS HA 1 74 TRP H 2.500 . 2.800 2.104 2.068 2.124 . 0 0 "[ . 1 . 2]" 1
724 1 73 LYS HA 1 74 TRP HE3 5.000 . 6.000 6.052 6.008 6.078 0.078 15 0 "[ . 1 . 2]" 1
725 1 73 LYS QB 1 74 TRP H 4.000 . 4.750 3.838 3.758 3.857 . 0 0 "[ . 1 . 2]" 1
726 1 73 LYS QB 1 74 TRP HE1 5.000 . 6.000 5.683 5.575 5.988 . 0 0 "[ . 1 . 2]" 1
727 1 73 LYS QG 1 74 TRP H 3.000 . 3.500 3.138 3.071 3.270 . 0 0 "[ . 1 . 2]" 1
728 1 73 LYS QG 1 74 TRP HD1 5.000 . 6.000 4.294 4.270 4.335 . 0 0 "[ . 1 . 2]" 1
729 1 73 LYS QG 1 74 TRP HE1 5.000 . 6.000 6.033 6.003 6.053 0.053 4 0 "[ . 1 . 2]" 1
730 1 73 LYS QD 1 74 TRP HE1 5.000 . 6.000 5.774 4.759 6.013 0.013 1 0 "[ . 1 . 2]" 1
731 1 73 LYS QE 1 74 TRP HE1 5.000 . 6.000 5.936 5.339 6.013 0.013 14 0 "[ . 1 . 2]" 1
732 1 74 TRP H 1 75 ARG H 4.000 . 4.750 4.389 4.368 4.404 . 0 0 "[ . 1 . 2]" 1
733 1 74 TRP HA 1 75 ARG H 3.000 . 3.500 2.562 2.537 2.589 . 0 0 "[ . 1 . 2]" 1
734 1 74 TRP HB3 1 75 ARG H 3.000 . 3.500 2.108 2.043 2.155 . 0 0 "[ . 1 . 2]" 1
735 1 74 TRP HB2 1 75 ARG H 3.000 . 3.500 3.389 3.266 3.446 . 0 0 "[ . 1 . 2]" 1
736 1 74 TRP HB2 1 75 ARG QH 5.000 . 6.000 5.607 4.494 6.096 0.096 4 0 "[ . 1 . 2]" 1
737 1 74 TRP HD1 1 75 ARG H 4.000 . 4.750 4.136 3.946 4.227 . 0 0 "[ . 1 . 2]" 1
738 1 74 TRP HE3 1 75 ARG H 5.000 . 6.000 5.425 5.378 5.469 . 0 0 "[ . 1 . 2]" 1
739 1 75 ARG H 1 76 TYR H 4.000 . 4.750 4.556 4.521 4.581 . 0 0 "[ . 1 . 2]" 1
740 1 75 ARG H 1 76 TYR QE 5.000 . 6.000 5.474 5.280 5.694 . 0 0 "[ . 1 . 2]" 1
741 1 75 ARG HA 1 76 TYR H 3.000 . 3.500 2.251 2.196 2.327 . 0 0 "[ . 1 . 2]" 1
742 1 75 ARG HA 1 76 TYR QD 3.000 . 3.500 3.304 3.185 3.435 . 0 0 "[ . 1 . 2]" 1
743 1 75 ARG HA 1 76 TYR QE 5.000 . 6.000 4.928 4.713 5.108 . 0 0 "[ . 1 . 2]" 1
744 1 75 ARG HB3 1 76 TYR H 3.000 . 3.500 3.106 2.727 3.298 . 0 0 "[ . 1 . 2]" 1
745 1 75 ARG HB2 1 76 TYR H 4.000 . 4.750 4.260 4.018 4.373 . 0 0 "[ . 1 . 2]" 1
746 1 75 ARG QG 1 76 TYR H 4.000 . 4.750 3.439 3.269 3.608 . 0 0 "[ . 1 . 2]" 1
747 1 75 ARG QD 1 76 TYR H 5.000 . 6.000 5.009 4.574 5.373 . 0 0 "[ . 1 . 2]" 1
748 1 76 TYR H 1 77 TYR H 4.000 . 4.750 4.510 4.481 4.537 . 0 0 "[ . 1 . 2]" 1
749 1 76 TYR H 1 77 TYR QD 5.000 . 6.000 4.008 3.867 4.101 . 0 0 "[ . 1 . 2]" 1
750 1 76 TYR H 1 77 TYR QE 5.000 . 6.000 4.532 4.427 4.678 . 0 0 "[ . 1 . 2]" 1
751 1 76 TYR HA 1 77 TYR H 3.000 . 3.500 2.443 2.427 2.466 . 0 0 "[ . 1 . 2]" 1
752 1 76 TYR HA 1 77 TYR HB3 5.000 . 6.000 5.558 5.542 5.571 . 0 0 "[ . 1 . 2]" 1
753 1 76 TYR HA 1 77 TYR HB2 4.000 . 4.750 4.171 4.149 4.194 . 0 0 "[ . 1 . 2]" 1
754 1 76 TYR HA 1 77 TYR QD 4.000 . 4.750 2.915 2.860 3.007 . 0 0 "[ . 1 . 2]" 1
755 1 76 TYR HA 1 77 TYR QE 5.000 . 6.000 4.671 4.584 4.798 . 0 0 "[ . 1 . 2]" 1
756 1 76 TYR HB3 1 77 TYR H 4.000 . 4.750 2.446 2.424 2.480 . 0 0 "[ . 1 . 2]" 1
757 1 76 TYR HB2 1 77 TYR H 4.000 . 4.750 3.767 3.715 3.813 . 0 0 "[ . 1 . 2]" 1
758 1 76 TYR HB2 1 77 TYR QD 5.000 . 6.000 4.996 4.931 5.066 . 0 0 "[ . 1 . 2]" 1
759 1 76 TYR QD 1 77 TYR H 3.000 . 3.500 3.528 3.392 3.570 0.070 19 0 "[ . 1 . 2]" 1
760 1 76 TYR QE 1 77 TYR H 5.000 . 6.000 5.648 5.501 5.720 . 0 0 "[ . 1 . 2]" 1
761 1 77 TYR HA 1 78 LEU H 3.000 . 3.500 2.104 2.089 2.164 . 0 0 "[ . 1 . 2]" 1
762 1 77 TYR HA 1 78 LEU HB3 5.000 . 6.000 4.842 4.783 5.104 . 0 0 "[ . 1 . 2]" 1
763 1 77 TYR HA 1 78 LEU MD1 5.000 . 6.000 5.656 4.575 5.790 . 0 0 "[ . 1 . 2]" 1
764 1 77 TYR HA 1 78 LEU MD2 5.000 . 6.000 5.317 5.219 5.807 . 0 0 "[ . 1 . 2]" 1
765 1 77 TYR HB3 1 78 LEU H 3.000 . 3.500 3.331 2.961 3.387 . 0 0 "[ . 1 . 2]" 1
766 1 77 TYR HB2 1 78 LEU H 4.000 . 4.750 4.338 4.132 4.372 . 0 0 "[ . 1 . 2]" 1
767 1 77 TYR QD 1 78 LEU H 5.000 . 6.000 4.156 3.904 4.242 . 0 0 "[ . 1 . 2]" 1
768 1 77 TYR QD 1 78 LEU HA 5.000 . 6.000 5.918 5.768 5.972 . 0 0 "[ . 1 . 2]" 1
769 1 77 TYR QE 1 78 LEU H 5.000 . 6.000 5.867 5.713 5.932 . 0 0 "[ . 1 . 2]" 1
770 1 78 LEU H 1 79 ASP H 4.000 . 4.750 4.164 4.072 4.212 . 0 0 "[ . 1 . 2]" 1
771 1 78 LEU H 1 79 ASP HA 5.000 . 6.000 5.829 5.645 5.873 . 0 0 "[ . 1 . 2]" 1
772 1 78 LEU HA 1 79 ASP H 3.000 . 3.500 2.193 2.160 2.210 . 0 0 "[ . 1 . 2]" 1
773 1 78 LEU HB3 1 79 ASP H 4.000 . 4.750 4.252 4.050 4.307 . 0 0 "[ . 1 . 2]" 1
774 1 78 LEU HB2 1 79 ASP H 4.000 . 4.750 4.590 4.578 4.605 . 0 0 "[ . 1 . 2]" 1
775 1 78 LEU HG 1 79 ASP H 5.000 . 6.000 5.004 3.669 5.199 . 0 0 "[ . 1 . 2]" 1
776 1 78 LEU MD1 1 79 ASP H 5.000 . 6.000 2.689 2.495 3.599 . 0 0 "[ . 1 . 2]" 1
777 1 78 LEU MD2 1 79 ASP H 5.000 . 6.000 3.805 3.596 4.997 . 0 0 "[ . 1 . 2]" 1
778 1 78 LEU MD2 1 79 ASP QB 5.000 . 6.000 4.435 4.382 4.502 . 0 0 "[ . 1 . 2]" 1
779 1 79 ASP H 1 80 SER H 4.000 . 4.750 4.548 4.529 4.561 . 0 0 "[ . 1 . 2]" 1
780 1 79 ASP H 1 80 SER HA 5.000 . 6.000 5.489 5.473 5.510 . 0 0 "[ . 1 . 2]" 1
781 1 79 ASP HA 1 80 SER H 3.000 . 3.500 3.308 3.286 3.334 . 0 0 "[ . 1 . 2]" 1
782 1 79 ASP QB 1 80 SER H 3.000 . 3.500 1.830 1.815 1.843 . 0 0 "[ . 1 . 2]" 1
783 1 79 ASP QB 1 80 SER HA 5.000 . 6.000 4.357 4.344 4.366 . 0 0 "[ . 1 . 2]" 1
784 1 80 SER HA 1 81 VAL H 3.000 . 3.500 3.095 3.077 3.148 . 0 0 "[ . 1 . 2]" 1
785 1 80 SER QB 1 81 VAL H 4.000 . 4.750 3.755 3.632 3.988 . 0 0 "[ . 1 . 2]" 1
786 1 81 VAL H 1 82 GLU H 4.000 . 4.750 4.482 4.434 4.502 . 0 0 "[ . 1 . 2]" 1
787 1 81 VAL HA 1 82 GLU H 2.500 . 2.800 2.300 2.206 2.319 . 0 0 "[ . 1 . 2]" 1
788 1 81 VAL HB 1 82 GLU H 4.000 . 4.750 3.675 3.617 3.887 . 0 0 "[ . 1 . 2]" 1
789 1 82 GLU HA 1 83 VAL H 3.000 . 3.500 2.192 2.171 2.218 . 0 0 "[ . 1 . 2]" 1
790 1 82 GLU QB 1 83 VAL H 3.000 . 3.500 3.051 2.926 3.152 . 0 0 "[ . 1 . 2]" 1
791 1 82 GLU QG 1 83 VAL H 5.000 . 6.000 4.093 3.921 4.589 . 0 0 "[ . 1 . 2]" 1
792 1 83 VAL H 1 84 HIS H 5.000 . 6.000 4.426 4.410 4.450 . 0 0 "[ . 1 . 2]" 1
793 1 83 VAL HA 1 84 HIS H 3.000 . 3.500 2.387 2.342 2.458 . 0 0 "[ . 1 . 2]" 1
794 1 83 VAL HB 1 84 HIS H 2.500 . 2.800 2.280 2.169 2.395 . 0 0 "[ . 1 . 2]" 1
795 1 84 HIS H 1 85 LEU H 5.000 . 6.000 4.211 4.092 4.395 . 0 0 "[ . 1 . 2]" 1
796 1 84 HIS HA 1 85 LEU H 3.000 . 3.500 2.168 2.127 2.211 . 0 0 "[ . 1 . 2]" 1
797 1 84 HIS HB2 1 85 LEU H 4.000 . 4.750 4.449 4.295 4.522 . 0 0 "[ . 1 . 2]" 1
798 1 84 HIS HD2 1 85 LEU HA 5.000 . 6.000 3.711 3.325 3.859 . 0 0 "[ . 1 . 2]" 1
799 1 85 LEU HA 1 86 PRO QG 4.000 . 4.750 3.755 3.717 3.792 . 0 0 "[ . 1 . 2]" 1
800 1 85 LEU HA 1 86 PRO QD 4.000 . 4.750 1.850 1.816 1.888 . 0 0 "[ . 1 . 2]" 1
801 1 85 LEU HB3 1 86 PRO QD 5.000 . 6.000 4.143 3.853 4.249 . 0 0 "[ . 1 . 2]" 1
802 1 85 LEU HB2 1 86 PRO QD 5.000 . 6.000 3.940 3.888 3.995 . 0 0 "[ . 1 . 2]" 1
803 1 85 LEU HG 1 86 PRO HB2 5.000 . 6.000 5.420 5.238 5.481 . 0 0 "[ . 1 . 2]" 1
804 1 85 LEU HG 1 86 PRO QD 3.000 . 3.500 2.535 1.983 2.819 . 0 0 "[ . 1 . 2]" 1
805 1 85 LEU MD1 1 86 PRO QD 4.000 . 4.750 3.994 3.282 4.252 . 0 0 "[ . 1 . 2]" 1
806 1 85 LEU MD2 1 86 PRO QG 5.000 . 6.000 3.352 3.156 3.792 . 0 0 "[ . 1 . 2]" 1
807 1 85 LEU MD2 1 86 PRO QD 5.000 . 6.000 3.181 3.027 3.426 . 0 0 "[ . 1 . 2]" 1
808 1 86 PRO HA 1 87 PRO HB3 5.000 . 6.000 5.029 4.997 5.062 . 0 0 "[ . 1 . 2]" 1
809 1 86 PRO HA 1 87 PRO HG3 4.000 . 4.750 4.393 4.374 4.402 . 0 0 "[ . 1 . 2]" 1
810 1 86 PRO HA 1 87 PRO HG2 4.000 . 4.750 4.122 4.056 4.157 . 0 0 "[ . 1 . 2]" 1
811 1 86 PRO HA 1 87 PRO HD3 3.000 . 3.500 2.550 2.520 2.593 . 0 0 "[ . 1 . 2]" 1
812 1 86 PRO HA 1 87 PRO HD2 3.000 . 3.500 1.933 1.873 1.965 . 0 0 "[ . 1 . 2]" 1
813 1 86 PRO HB3 1 87 PRO HD3 5.000 . 6.000 4.445 4.338 4.596 . 0 0 "[ . 1 . 2]" 1
814 1 86 PRO HB3 1 87 PRO HD2 4.000 . 4.750 3.000 2.880 3.151 . 0 0 "[ . 1 . 2]" 1
815 1 86 PRO HB2 1 87 PRO HB3 5.000 . 6.000 6.046 6.031 6.056 0.056 7 0 "[ . 1 . 2]" 1
816 1 86 PRO HB2 1 87 PRO HG3 5.000 . 6.000 5.532 5.491 5.584 . 0 0 "[ . 1 . 2]" 1
817 1 86 PRO HB2 1 87 PRO HG2 5.000 . 6.000 4.312 4.272 4.381 . 0 0 "[ . 1 . 2]" 1
818 1 86 PRO HB2 1 87 PRO HD3 5.000 . 6.000 4.585 4.536 4.621 . 0 0 "[ . 1 . 2]" 1
819 1 86 PRO HB2 1 87 PRO HD2 4.000 . 4.750 3.257 3.200 3.296 . 0 0 "[ . 1 . 2]" 1
820 1 87 PRO HA 1 88 PHE H 5.000 . 6.000 3.450 3.440 3.458 . 0 0 "[ . 1 . 2]" 1
821 1 87 PRO HA 1 88 PHE QD 5.000 . 6.000 4.788 4.756 4.819 . 0 0 "[ . 1 . 2]" 1
822 1 87 PRO HB3 1 88 PHE H 5.000 . 6.000 4.463 4.449 4.473 . 0 0 "[ . 1 . 2]" 1
823 1 87 PRO HB3 1 88 PHE QD 4.000 . 4.750 4.771 4.754 4.786 0.036 17 0 "[ . 1 . 2]" 1
824 1 87 PRO HB2 1 88 PHE H 5.000 . 6.000 3.643 3.615 3.659 . 0 0 "[ . 1 . 2]" 1
825 1 87 PRO HB2 1 88 PHE QD 4.000 . 4.750 3.467 3.403 3.539 . 0 0 "[ . 1 . 2]" 1
826 1 87 PRO HG3 1 88 PHE H 5.000 . 6.000 4.595 4.547 4.633 . 0 0 "[ . 1 . 2]" 1
827 1 87 PRO HG3 1 88 PHE QD 4.000 . 4.750 4.139 4.064 4.206 . 0 0 "[ . 1 . 2]" 1
828 1 87 PRO HG2 1 88 PHE H 4.000 . 4.750 3.177 3.119 3.226 . 0 0 "[ . 1 . 2]" 1
829 1 87 PRO HG2 1 88 PHE QD 4.000 . 4.750 2.383 2.301 2.457 . 0 0 "[ . 1 . 2]" 1
830 1 87 PRO HG2 1 88 PHE QE 4.000 . 4.750 2.711 2.628 2.834 . 0 0 "[ . 1 . 2]" 1
831 1 87 PRO HD3 1 88 PHE H 5.000 . 6.000 4.298 4.255 4.329 . 0 0 "[ . 1 . 2]" 1
832 1 87 PRO HD3 1 88 PHE QE 5.000 . 6.000 4.529 4.424 4.623 . 0 0 "[ . 1 . 2]" 1
833 1 87 PRO HD2 1 88 PHE H 5.000 . 6.000 3.453 3.376 3.521 . 0 0 "[ . 1 . 2]" 1
834 1 87 PRO HD2 1 88 PHE QD 4.000 . 4.750 3.744 3.548 3.882 . 0 0 "[ . 1 . 2]" 1
835 1 87 PRO HD2 1 88 PHE QE 5.000 . 6.000 2.912 2.754 3.031 . 0 0 "[ . 1 . 2]" 1
836 1 88 PHE H 1 89 TRP H 4.000 . 4.750 2.489 2.459 2.539 . 0 0 "[ . 1 . 2]" 1
837 1 88 PHE HA 1 89 TRP H 4.000 . 4.750 3.344 3.302 3.361 . 0 0 "[ . 1 . 2]" 1
838 1 88 PHE HA 1 89 TRP HD1 5.000 . 6.000 4.707 4.663 4.756 . 0 0 "[ . 1 . 2]" 1
839 1 88 PHE HB3 1 89 TRP H 4.000 . 4.750 4.586 4.568 4.641 . 0 0 "[ . 1 . 2]" 1
840 1 88 PHE HB3 1 89 TRP HD1 5.000 . 6.000 4.753 4.705 4.808 . 0 0 "[ . 1 . 2]" 1
841 1 88 PHE HB3 1 89 TRP HE1 5.000 . 6.000 5.587 5.487 5.711 . 0 0 "[ . 1 . 2]" 1
842 1 88 PHE HB2 1 89 TRP HE1 5.000 . 6.000 3.953 3.856 4.079 . 0 0 "[ . 1 . 2]" 1
843 1 88 PHE QD 1 89 TRP HA 5.000 . 6.000 5.013 4.953 5.060 . 0 0 "[ . 1 . 2]" 1
844 1 88 PHE QD 1 89 TRP HE1 3.000 . 3.500 2.554 2.487 2.645 . 0 0 "[ . 1 . 2]" 1
845 1 89 TRP H 1 90 GLU H 3.000 . 3.500 2.202 2.078 2.286 . 0 0 "[ . 1 . 2]" 1
846 1 89 TRP H 1 90 GLU HA 4.000 . 4.750 4.581 4.539 4.625 . 0 0 "[ . 1 . 2]" 1
847 1 89 TRP HA 1 90 GLU H 4.000 . 4.750 3.320 3.242 3.382 . 0 0 "[ . 1 . 2]" 1
848 1 89 TRP HB3 1 90 GLU H 5.000 . 6.000 4.259 4.181 4.348 . 0 0 "[ . 1 . 2]" 1
849 1 89 TRP HB2 1 90 GLU H 5.000 . 6.000 3.488 3.352 3.632 . 0 0 "[ . 1 . 2]" 1
850 1 90 GLU H 1 91 GLN H 3.000 . 3.500 2.742 2.695 2.789 . 0 0 "[ . 1 . 2]" 1
851 1 90 GLU HA 1 91 GLN H 3.000 . 3.500 3.480 3.458 3.504 0.004 10 0 "[ . 1 . 2]" 1
852 1 90 GLU QB 1 91 GLN H 4.000 . 4.750 3.217 2.686 3.594 . 0 0 "[ . 1 . 2]" 1
853 1 90 GLU QG 1 91 GLN H 5.000 . 6.000 3.214 2.196 4.563 . 0 0 "[ . 1 . 2]" 1
854 1 91 GLN H 1 92 TYR H 3.000 . 3.500 2.202 2.154 2.274 . 0 0 "[ . 1 . 2]" 1
855 1 91 GLN H 1 92 TYR QD 4.000 . 4.750 4.050 3.986 4.143 . 0 0 "[ . 1 . 2]" 1
856 1 91 GLN H 1 92 TYR QE 5.000 . 6.000 4.832 4.731 4.922 . 0 0 "[ . 1 . 2]" 1
857 1 91 GLN HA 1 92 TYR H 3.000 . 3.500 3.464 3.425 3.477 . 0 0 "[ . 1 . 2]" 1
858 1 91 GLN HE22 1 92 TYR QE 4.000 . 4.750 4.349 3.866 4.751 0.001 12 0 "[ . 1 . 2]" 1
859 1 91 GLN QB 1 92 TYR H 4.000 . 4.750 3.570 3.541 3.635 . 0 0 "[ . 1 . 2]" 1
860 1 91 GLN QB 1 92 TYR QD 4.000 . 4.750 3.326 3.220 3.489 . 0 0 "[ . 1 . 2]" 1
861 1 91 GLN QG 1 92 TYR H 4.000 . 4.750 2.146 2.063 2.311 . 0 0 "[ . 1 . 2]" 1
862 1 91 GLN QG 1 92 TYR QD 3.000 . 3.500 2.200 2.046 2.326 . 0 0 "[ . 1 . 2]" 1
863 1 91 GLN QG 1 92 TYR QE 3.000 . 3.500 1.974 1.938 2.037 . 0 0 "[ . 1 . 2]" 1
864 1 92 TYR H 1 93 ILE H 3.000 . 3.500 2.465 2.388 2.501 . 0 0 "[ . 1 . 2]" 1
865 1 92 TYR HA 1 93 ILE H 4.000 . 4.750 3.375 3.336 3.430 . 0 0 "[ . 1 . 2]" 1
866 1 92 TYR HB3 1 93 ILE H 5.000 . 6.000 4.257 4.145 4.332 . 0 0 "[ . 1 . 2]" 1
867 1 92 TYR HB2 1 93 ILE H 4.000 . 4.750 3.330 3.155 3.441 . 0 0 "[ . 1 . 2]" 1
868 1 92 TYR QD 1 93 ILE HA 5.000 . 6.000 5.911 5.885 5.921 . 0 0 "[ . 1 . 2]" 1
869 1 93 ILE H 1 94 ASN H 4.000 . 4.750 4.377 4.325 4.506 . 0 0 "[ . 1 . 2]" 1
870 1 93 ILE HA 1 94 ASN H 2.500 . 2.800 2.129 2.113 2.140 . 0 0 "[ . 1 . 2]" 1
871 1 93 ILE HA 1 94 ASN HA 5.000 . 6.000 4.401 4.389 4.408 . 0 0 "[ . 1 . 2]" 1
872 1 93 ILE HA 1 94 ASN HD22 5.000 . 6.000 4.215 3.886 4.555 . 0 0 "[ . 1 . 2]" 1
873 1 93 ILE HA 1 94 ASN QB 4.000 . 4.750 4.556 4.305 4.668 . 0 0 "[ . 1 . 2]" 1
874 1 93 ILE HB 1 94 ASN H 4.000 . 4.750 3.543 3.260 3.601 . 0 0 "[ . 1 . 2]" 1
875 1 93 ILE HB 1 94 ASN HA 4.000 . 4.750 4.677 4.538 4.753 0.003 15 0 "[ . 1 . 2]" 1
876 1 93 ILE MD 1 94 ASN H 4.000 . 4.750 4.767 4.696 4.787 0.037 14 0 "[ . 1 . 2]" 1
877 1 94 ASN H 1 95 ASP H 5.000 . 6.000 4.407 4.356 4.465 . 0 0 "[ . 1 . 2]" 1
878 1 94 ASN HA 1 95 ASP H 3.000 . 3.500 2.731 2.656 2.766 . 0 0 "[ . 1 . 2]" 1
879 1 94 ASN HA 1 95 ASP HA 5.000 . 6.000 4.358 4.344 4.367 . 0 0 "[ . 1 . 2]" 1
880 1 94 ASN HD21 1 95 ASP H 5.000 . 6.000 4.959 4.815 5.050 . 0 0 "[ . 1 . 2]" 1
881 1 94 ASN HD22 1 95 ASP H 5.000 . 6.000 5.790 5.073 6.001 0.001 9 0 "[ . 1 . 2]" 1
882 1 94 ASN QB 1 95 ASP H 3.000 . 3.500 1.998 1.802 2.152 . 0 0 "[ . 1 . 2]" 1
883 1 95 ASP H 1 96 GLU H 3.000 . 3.500 2.968 2.897 3.024 . 0 0 "[ . 1 . 2]" 1
884 1 95 ASP H 1 96 GLU QB 5.000 . 6.000 5.070 5.024 5.133 . 0 0 "[ . 1 . 2]" 1
885 1 95 ASP HA 1 96 GLU H 4.000 . 4.750 3.554 3.547 3.563 . 0 0 "[ . 1 . 2]" 1
886 1 95 ASP QB 1 96 GLU H 2.500 . 2.800 2.273 2.189 2.440 . 0 0 "[ . 1 . 2]" 1
887 1 95 ASP QB 1 96 GLU HA 5.000 . 6.000 4.208 4.108 4.331 . 0 0 "[ . 1 . 2]" 1
888 1 95 ASP QB 1 96 GLU QG 5.000 . 6.000 4.831 4.492 5.129 . 0 0 "[ . 1 . 2]" 1
889 1 96 GLU H 1 97 ASN H 4.000 . 4.750 4.283 4.211 4.312 . 0 0 "[ . 1 . 2]" 1
890 1 96 GLU H 1 97 ASN HA 5.000 . 6.000 4.773 4.657 4.830 . 0 0 "[ . 1 . 2]" 1
891 1 96 GLU HA 1 97 ASN H 3.000 . 3.500 2.192 2.161 2.205 . 0 0 "[ . 1 . 2]" 1
892 1 96 GLU HA 1 97 ASN HA 5.000 . 6.000 4.401 4.389 4.406 . 0 0 "[ . 1 . 2]" 1
893 1 96 GLU HA 1 97 ASN HD21 5.000 . 6.000 4.944 3.144 5.530 . 0 0 "[ . 1 . 2]" 1
894 1 96 GLU QB 1 97 ASN H 4.000 . 4.750 3.649 3.523 3.776 . 0 0 "[ . 1 . 2]" 1
895 1 96 GLU QG 1 97 ASN H 4.000 . 4.750 3.034 2.709 3.391 . 0 0 "[ . 1 . 2]" 1
896 1 96 GLU QG 1 97 ASN HA 5.000 . 6.000 4.654 4.118 5.045 . 0 0 "[ . 1 . 2]" 1
897 1 97 ASN H 1 98 THR H 4.000 . 4.750 4.426 4.394 4.469 . 0 0 "[ . 1 . 2]" 1
898 1 97 ASN HA 1 98 THR H 2.500 . 2.800 2.220 2.179 2.292 . 0 0 "[ . 1 . 2]" 1
899 1 97 ASN HA 1 98 THR HB 5.000 . 6.000 4.828 4.607 5.107 . 0 0 "[ . 1 . 2]" 1
900 1 97 ASN HB3 1 98 THR H 3.000 . 3.500 2.763 2.379 2.912 . 0 0 "[ . 1 . 2]" 1
901 1 97 ASN HB2 1 98 THR H 3.000 . 3.500 3.432 3.300 3.530 0.030 2 0 "[ . 1 . 2]" 1
902 1 97 ASN HD21 1 98 THR H 5.000 . 6.000 5.435 5.264 5.541 . 0 0 "[ . 1 . 2]" 1
903 1 98 THR HA 1 99 VAL H 2.500 . 2.800 2.162 2.152 2.175 . 0 0 "[ . 1 . 2]" 1
904 1 98 THR HA 1 99 VAL HB 5.000 . 6.000 5.562 5.547 5.577 . 0 0 "[ . 1 . 2]" 1
905 1 98 THR HB 1 99 VAL H 4.000 . 4.750 4.297 4.157 4.411 . 0 0 "[ . 1 . 2]" 1
906 1 98 THR MG 1 99 VAL H 5.000 . 6.000 3.187 2.984 3.389 . 0 0 "[ . 1 . 2]" 1
907 1 99 VAL H 1 100 GLU H 5.000 . 6.000 4.404 4.303 4.471 . 0 0 "[ . 1 . 2]" 1
908 1 99 VAL HA 1 100 GLU H 2.500 . 2.800 2.116 2.101 2.149 . 0 0 "[ . 1 . 2]" 1
909 1 99 VAL HB 1 100 GLU H 4.000 . 4.750 3.348 3.052 3.644 . 0 0 "[ . 1 . 2]" 1
910 1 100 GLU H 1 101 LEU H 5.000 . 6.000 4.185 4.089 4.267 . 0 0 "[ . 1 . 2]" 1
911 1 100 GLU H 1 101 LEU MD1 5.000 . 6.000 6.024 6.003 6.060 0.060 20 0 "[ . 1 . 2]" 1
912 1 100 GLU H 1 101 LEU MD2 5.000 . 6.000 4.916 4.419 5.194 . 0 0 "[ . 1 . 2]" 1
913 1 100 GLU HA 1 101 LEU H 3.000 . 3.500 2.141 2.127 2.149 . 0 0 "[ . 1 . 2]" 1
914 1 100 GLU HA 1 101 LEU HA 5.000 . 6.000 4.384 4.374 4.391 . 0 0 "[ . 1 . 2]" 1
915 1 100 GLU HA 1 101 LEU HG 4.000 . 4.750 3.624 3.487 3.766 . 0 0 "[ . 1 . 2]" 1
916 1 100 GLU HA 1 101 LEU MD1 5.000 . 6.000 4.609 4.438 4.837 . 0 0 "[ . 1 . 2]" 1
917 1 100 GLU HA 1 101 LEU MD2 5.000 . 6.000 4.732 4.314 4.896 . 0 0 "[ . 1 . 2]" 1
918 1 100 GLU HA 1 101 LEU QB 5.000 . 6.000 4.501 4.411 4.564 . 0 0 "[ . 1 . 2]" 1
919 1 100 GLU HB3 1 101 LEU H 3.000 . 3.500 3.560 3.538 3.582 0.082 3 0 "[ . 1 . 2]" 1
920 1 100 GLU HB3 1 101 LEU HA 5.000 . 6.000 4.653 4.483 4.803 . 0 0 "[ . 1 . 2]" 1
921 1 100 GLU HB2 1 101 LEU H 4.000 . 4.750 4.263 4.157 4.373 . 0 0 "[ . 1 . 2]" 1
922 1 100 GLU QG 1 101 LEU H 4.000 . 4.750 4.351 4.184 4.467 . 0 0 "[ . 1 . 2]" 1
923 1 101 LEU H 1 102 ILE H 4.000 . 4.750 4.430 4.411 4.447 . 0 0 "[ . 1 . 2]" 1
924 1 101 LEU HA 1 102 ILE H 3.000 . 3.500 2.259 2.232 2.294 . 0 0 "[ . 1 . 2]" 1
925 1 101 LEU HA 1 102 ILE HA 5.000 . 6.000 4.390 4.380 4.402 . 0 0 "[ . 1 . 2]" 1
926 1 101 LEU HA 1 102 ILE MD 5.000 . 6.000 4.076 3.319 4.679 . 0 0 "[ . 1 . 2]" 1
927 1 101 LEU MD1 1 102 ILE H 5.000 . 6.000 3.364 3.094 3.588 . 0 0 "[ . 1 . 2]" 1
928 1 101 LEU MD2 1 102 ILE H 5.000 . 6.000 4.734 4.602 4.879 . 0 0 "[ . 1 . 2]" 1
929 1 101 LEU QB 1 102 ILE H 3.000 . 3.500 2.592 2.499 2.696 . 0 0 "[ . 1 . 2]" 1
930 1 102 ILE H 1 103 HIS H 4.000 . 4.750 4.467 4.418 4.518 . 0 0 "[ . 1 . 2]" 1
931 1 102 ILE HA 1 103 HIS H 3.000 . 3.500 2.327 2.205 2.512 . 0 0 "[ . 1 . 2]" 1
932 1 102 ILE HA 1 103 HIS HB2 5.000 . 6.000 4.812 4.770 4.874 . 0 0 "[ . 1 . 2]" 1
933 1 102 ILE HA 1 103 HIS HD2 5.000 . 6.000 2.770 2.379 3.148 . 0 0 "[ . 1 . 2]" 1
934 1 102 ILE HB 1 103 HIS H 3.000 . 3.500 3.337 2.797 3.515 0.015 13 0 "[ . 1 . 2]" 1
935 1 102 ILE MD 1 103 HIS H 5.000 . 6.000 4.876 4.440 5.170 . 0 0 "[ . 1 . 2]" 1
936 1 103 HIS H 1 104 THR H 4.000 . 4.750 4.401 4.320 4.462 . 0 0 "[ . 1 . 2]" 1
937 1 103 HIS H 1 104 THR HA 5.000 . 6.000 5.201 4.957 5.373 . 0 0 "[ . 1 . 2]" 1
938 1 103 HIS H 1 104 THR MG 5.000 . 6.000 4.717 4.573 4.809 . 0 0 "[ . 1 . 2]" 1
939 1 103 HIS HA 1 104 THR H 2.500 . 2.800 2.109 2.095 2.125 . 0 0 "[ . 1 . 2]" 1
940 1 103 HIS HA 1 104 THR MG 4.000 . 4.750 3.325 3.237 3.405 . 0 0 "[ . 1 . 2]" 1
941 1 103 HIS HB3 1 104 THR H 3.000 . 3.500 3.517 3.505 3.533 0.033 8 0 "[ . 1 . 2]" 1
942 1 103 HIS HD2 1 104 THR H 5.000 . 6.000 5.786 5.569 5.960 . 0 0 "[ . 1 . 2]" 1
943 1 104 THR H 1 105 ASP H 4.000 . 4.750 4.355 4.341 4.392 . 0 0 "[ . 1 . 2]" 1
944 1 104 THR HA 1 105 ASP H 3.000 . 3.500 2.819 2.769 2.844 . 0 0 "[ . 1 . 2]" 1
945 1 104 THR HB 1 105 ASP H 2.500 . 2.800 2.099 2.021 2.286 . 0 0 "[ . 1 . 2]" 1
946 1 104 THR MG 1 105 ASP H 4.000 . 4.750 3.662 3.637 3.732 . 0 0 "[ . 1 . 2]" 1
947 1 105 ASP H 1 106 SER H 3.000 . 3.500 2.404 2.288 2.547 . 0 0 "[ . 1 . 2]" 1
948 1 105 ASP H 1 106 SER HG 4.000 . 4.750 3.601 3.391 3.780 . 0 0 "[ . 1 . 2]" 1
949 1 105 ASP HA 1 106 SER H 3.000 . 3.500 3.351 3.261 3.427 . 0 0 "[ . 1 . 2]" 1
950 1 105 ASP QB 1 106 SER H 4.000 . 4.750 3.168 2.956 3.359 . 0 0 "[ . 1 . 2]" 1
951 1 105 ASP QB 1 106 SER HA 4.000 . 4.750 4.386 4.228 4.541 . 0 0 "[ . 1 . 2]" 1
952 1 105 ASP QB 1 106 SER QB 5.000 . 6.000 4.009 3.733 4.323 . 0 0 "[ . 1 . 2]" 1
953 1 106 SER H 1 107 LEU H 3.000 . 3.500 2.562 2.438 2.686 . 0 0 "[ . 1 . 2]" 1
954 1 106 SER H 1 107 LEU HG 5.000 . 6.000 4.648 4.404 4.909 . 0 0 "[ . 1 . 2]" 1
955 1 106 SER H 1 107 LEU QD 5.000 . 6.000 4.342 3.989 4.922 . 0 0 "[ . 1 . 2]" 1
956 1 106 SER HA 1 107 LEU H 3.000 . 3.500 3.535 3.529 3.538 0.038 16 0 "[ . 1 . 2]" 1
957 1 106 SER HG 1 107 LEU H 4.000 . 4.750 1.855 1.808 1.908 . 0 0 "[ . 1 . 2]" 1
958 1 106 SER HG 1 107 LEU HG 5.000 . 6.000 3.352 3.029 4.115 . 0 0 "[ . 1 . 2]" 1
959 1 106 SER HG 1 107 LEU QB 5.000 . 6.000 4.677 4.208 4.754 . 0 0 "[ . 1 . 2]" 1
960 1 106 SER HG 1 107 LEU QD 4.000 . 4.750 3.298 2.836 4.454 . 0 0 "[ . 1 . 2]" 1
961 1 106 SER QB 1 107 LEU H 3.000 . 3.500 2.604 2.254 2.821 . 0 0 "[ . 1 . 2]" 1
962 1 106 SER QB 1 107 LEU HG 5.000 . 6.000 3.277 2.185 4.170 . 0 0 "[ . 1 . 2]" 1
963 1 107 LEU H 1 108 PRO QD 5.000 . 6.000 4.367 4.358 4.374 . 0 0 "[ . 1 . 2]" 1
964 1 107 LEU HA 1 108 PRO QG 4.000 . 4.750 3.667 3.639 3.691 . 0 0 "[ . 1 . 2]" 1
965 1 107 LEU HA 1 108 PRO QD 5.000 . 6.000 2.001 1.978 2.039 . 0 0 "[ . 1 . 2]" 1
966 1 107 LEU QB 1 108 PRO QD 5.000 . 6.000 2.021 1.975 2.076 . 0 0 "[ . 1 . 2]" 1
967 1 108 PRO HA 1 109 LEU H 3.000 . 3.500 2.124 2.109 2.149 . 0 0 "[ . 1 . 2]" 1
968 1 108 PRO QB 1 109 LEU H 3.000 . 3.500 3.293 3.199 3.378 . 0 0 "[ . 1 . 2]" 1
969 1 108 PRO QG 1 109 LEU H 4.000 . 4.750 4.810 4.773 4.865 0.115 8 0 "[ . 1 . 2]" 1
970 1 108 PRO QD 1 109 LEU H 5.000 . 6.000 4.825 4.753 4.865 . 0 0 "[ . 1 . 2]" 1
971 1 109 LEU H 1 110 VAL H 4.000 . 4.750 4.410 4.387 4.434 . 0 0 "[ . 1 . 2]" 1
972 1 109 LEU HA 1 110 VAL H 3.000 . 3.500 2.141 2.131 2.147 . 0 0 "[ . 1 . 2]" 1
973 1 109 LEU HA 1 110 VAL HB 5.000 . 6.000 4.808 4.776 4.842 . 0 0 "[ . 1 . 2]" 1
974 1 109 LEU HB2 1 110 VAL H 4.000 . 4.750 4.412 4.403 4.421 . 0 0 "[ . 1 . 2]" 1
975 1 109 LEU HG 1 110 VAL H 4.000 . 4.750 4.787 4.767 4.807 0.057 15 0 "[ . 1 . 2]" 1
976 1 109 LEU MD1 1 110 VAL H 4.000 . 4.750 2.549 2.338 2.729 . 0 0 "[ . 1 . 2]" 1
977 1 109 LEU MD2 1 110 VAL H 4.000 . 4.750 2.710 2.570 2.806 . 0 0 "[ . 1 . 2]" 1
978 1 110 VAL HA 1 111 ILE H 3.000 . 3.500 2.165 2.150 2.194 . 0 0 "[ . 1 . 2]" 1
979 1 110 VAL HB 1 111 ILE H 5.000 . 6.000 4.352 4.334 4.372 . 0 0 "[ . 1 . 2]" 1
980 1 111 ILE H 1 112 SER H 3.000 . 3.500 2.517 2.475 2.565 . 0 0 "[ . 1 . 2]" 1
981 1 111 ILE HA 1 112 SER H 4.000 . 4.750 3.484 3.467 3.503 . 0 0 "[ . 1 . 2]" 1
982 1 111 ILE HB 1 112 SER H 4.000 . 4.750 3.964 3.855 4.018 . 0 0 "[ . 1 . 2]" 1
983 1 111 ILE MD 1 112 SER H 4.000 . 4.750 3.372 2.980 3.718 . 0 0 "[ . 1 . 2]" 1
984 1 112 SER HA 1 113 LEU H 3.000 . 3.500 2.347 2.315 2.385 . 0 0 "[ . 1 . 2]" 1
985 1 112 SER QB 1 113 LEU H 3.000 . 3.500 2.639 2.390 2.882 . 0 0 "[ . 1 . 2]" 1
986 1 113 LEU H 1 114 ASN H 4.000 . 4.750 4.388 4.368 4.408 . 0 0 "[ . 1 . 2]" 1
987 1 113 LEU HA 1 114 ASN H 3.000 . 3.500 2.378 2.345 2.427 . 0 0 "[ . 1 . 2]" 1
988 1 113 LEU HB3 1 114 ASN H 3.000 . 3.500 3.212 3.143 3.293 . 0 0 "[ . 1 . 2]" 1
989 1 113 LEU HB2 1 114 ASN H 4.000 . 4.750 4.102 4.061 4.176 . 0 0 "[ . 1 . 2]" 1
990 1 113 LEU HG 1 114 ASN H 3.000 . 3.500 2.254 2.166 2.430 . 0 0 "[ . 1 . 2]" 1
991 1 113 LEU HG 1 114 ASN QB 4.000 . 4.750 4.169 3.825 4.299 . 0 0 "[ . 1 . 2]" 1
992 1 113 LEU MD1 1 114 ASN H 4.000 . 4.750 3.835 3.730 4.014 . 0 0 "[ . 1 . 2]" 1
993 1 113 LEU MD2 1 114 ASN H 3.000 . 3.500 3.266 3.078 3.392 . 0 0 "[ . 1 . 2]" 1
994 1 114 ASN H 1 115 GLY H 4.000 . 4.750 4.300 4.282 4.313 . 0 0 "[ . 1 . 2]" 1
995 1 114 ASN H 1 115 GLY QA 5.000 . 6.000 5.399 5.360 5.410 . 0 0 "[ . 1 . 2]" 1
996 1 114 ASN HA 1 115 GLY H 2.500 . 2.800 2.195 2.170 2.218 . 0 0 "[ . 1 . 2]" 1
997 1 114 ASN QB 1 115 GLY H 4.000 . 4.750 3.657 3.630 3.709 . 0 0 "[ . 1 . 2]" 1
998 1 115 GLY H 1 116 HIS H 3.000 . 3.500 2.563 2.511 2.683 . 0 0 "[ . 1 . 2]" 1
999 1 115 GLY H 1 116 HIS HD2 5.000 . 6.000 4.318 4.235 4.539 . 0 0 "[ . 1 . 2]" 1
1000 1 115 GLY QA 1 116 HIS H 3.000 . 3.500 2.871 2.844 2.950 . 0 0 "[ . 1 . 2]" 1
1001 1 115 GLY QA 1 116 HIS HD2 5.000 . 6.000 3.663 3.554 3.880 . 0 0 "[ . 1 . 2]" 1
1002 1 116 HIS HA 1 117 THR H 2.500 . 2.800 2.361 2.310 2.394 . 0 0 "[ . 1 . 2]" 1
1003 1 116 HIS HA 1 117 THR MG 5.000 . 6.000 3.182 3.009 3.702 . 0 0 "[ . 1 . 2]" 1
1004 1 116 HIS HB3 1 117 THR H 3.000 . 3.500 2.593 2.478 2.790 . 0 0 "[ . 1 . 2]" 1
1005 1 116 HIS HD2 1 117 THR H 5.000 . 6.000 5.844 5.785 5.922 . 0 0 "[ . 1 . 2]" 1
1006 1 116 HIS HD2 1 117 THR MG 5.000 . 6.000 6.069 6.044 6.087 0.087 20 0 "[ . 1 . 2]" 1
1007 1 117 THR HA 1 118 LEU H 3.000 . 3.500 2.293 2.254 2.435 . 0 0 "[ . 1 . 2]" 1
1008 1 117 THR HA 1 118 LEU MD2 5.000 . 6.000 5.469 5.339 5.537 . 0 0 "[ . 1 . 2]" 1
1009 1 117 THR HB 1 118 LEU H 3.000 . 3.500 2.698 2.318 2.825 . 0 0 "[ . 1 . 2]" 1
1010 1 117 THR MG 1 118 LEU H 4.000 . 4.750 3.946 3.498 4.047 . 0 0 "[ . 1 . 2]" 1
1011 1 118 LEU H 1 119 GLN H 3.000 . 3.500 2.653 2.095 2.840 . 0 0 "[ . 1 . 2]" 1
1012 1 118 LEU HA 1 119 GLN H 3.000 . 3.500 3.511 3.442 3.535 0.035 20 0 "[ . 1 . 2]" 1
1013 1 118 LEU HB3 1 119 GLN H 4.000 . 4.750 3.152 3.056 3.476 . 0 0 "[ . 1 . 2]" 1
1014 1 118 LEU HG 1 119 GLN H 5.000 . 6.000 4.961 4.819 5.004 . 0 0 "[ . 1 . 2]" 1
1015 1 118 LEU MD1 1 119 GLN H 4.000 . 4.750 4.697 4.631 4.766 0.016 7 0 "[ . 1 . 2]" 1
1016 1 118 LEU MD2 1 119 GLN H 5.000 . 6.000 4.517 4.432 4.649 . 0 0 "[ . 1 . 2]" 1
1017 1 119 GLN H 1 120 GLU H 4.000 . 4.750 3.549 3.451 3.709 . 0 0 "[ . 1 . 2]" 1
1018 1 119 GLN HA 1 120 GLU H 3.000 . 3.500 2.366 2.356 2.379 . 0 0 "[ . 1 . 2]" 1
1019 1 119 GLN QB 1 120 GLU H 4.000 . 4.750 3.914 3.856 4.010 . 0 0 "[ . 1 . 2]" 1
1020 1 2 ALA MB 1 4 ALA H 5.000 . 6.000 4.367 4.100 4.765 . 0 0 "[ . 1 . 2]" 1
1021 1 3 PHE HA 1 5 ASP H 4.000 . 4.750 3.918 3.610 4.320 . 0 0 "[ . 1 . 2]" 1
1022 1 4 ALA H 1 6 ALA H 4.000 . 4.750 3.555 3.439 3.675 . 0 0 "[ . 1 . 2]" 1
1023 1 4 ALA HA 1 6 ALA H 4.000 . 4.750 4.105 3.795 4.330 . 0 0 "[ . 1 . 2]" 1
1024 1 6 ALA MB 1 8 THR HA 5.000 . 6.000 5.207 5.136 5.275 . 0 0 "[ . 1 . 2]" 1
1025 1 7 GLN HE22 1 9 ARG QB 5.000 . 6.000 4.633 3.148 5.998 . 0 0 "[ . 1 . 2]" 1
1026 1 12 THR H 1 14 GLU H 5.000 . 6.000 5.268 5.076 5.483 . 0 0 "[ . 1 . 2]" 1
1027 1 12 THR HA 1 14 GLU H 4.000 . 4.750 4.246 4.130 4.372 . 0 0 "[ . 1 . 2]" 1
1028 1 12 THR HB 1 14 GLU H 4.000 . 4.750 3.101 2.974 3.307 . 0 0 "[ . 1 . 2]" 1
1029 1 12 THR MG 1 14 GLU H 5.000 . 6.000 4.448 4.332 4.575 . 0 0 "[ . 1 . 2]" 1
1030 1 13 PRO HA 1 15 GLU H 4.000 . 4.750 4.600 4.351 4.744 . 0 0 "[ . 1 . 2]" 1
1031 1 14 GLU H 1 16 ARG QB 5.000 . 6.000 4.731 4.548 5.114 . 0 0 "[ . 1 . 2]" 1
1032 1 14 GLU HA 1 16 ARG H 5.000 . 6.000 4.359 4.231 4.569 . 0 0 "[ . 1 . 2]" 1
1033 1 16 ARG HA 1 18 ALA H 5.000 . 6.000 4.503 4.198 4.812 . 0 0 "[ . 1 . 2]" 1
1034 1 18 ALA H 1 20 GLU H 4.000 . 4.750 4.270 3.988 4.413 . 0 0 "[ . 1 . 2]" 1
1035 1 18 ALA MB 1 20 GLU H 5.000 . 6.000 4.637 4.411 4.759 . 0 0 "[ . 1 . 2]" 1
1036 1 20 GLU H 1 22 TYR HB3 5.000 . 6.000 4.954 4.714 5.070 . 0 0 "[ . 1 . 2]" 1
1037 1 20 GLU HA 1 22 TYR QD 5.000 . 6.000 5.775 5.537 6.007 0.007 20 0 "[ . 1 . 2]" 1
1038 1 21 ASN HA 1 23 LEU H 4.000 . 4.750 4.696 4.465 4.764 0.014 15 0 "[ . 1 . 2]" 1
1039 1 21 ASN QB 1 23 LEU H 5.000 . 6.000 4.999 4.833 5.259 . 0 0 "[ . 1 . 2]" 1
1040 1 22 TYR HB2 1 24 GLU H 5.000 . 6.000 5.852 5.644 5.994 . 0 0 "[ . 1 . 2]" 1
1041 1 22 TYR QD 1 24 GLU H 5.000 . 6.000 5.401 5.178 5.524 . 0 0 "[ . 1 . 2]" 1
1042 1 23 LEU H 1 25 SER H 5.000 . 6.000 4.276 4.233 4.358 . 0 0 "[ . 1 . 2]" 1
1043 1 23 LEU HA 1 25 SER H 4.000 . 4.750 4.664 4.603 4.723 . 0 0 "[ . 1 . 2]" 1
1044 1 23 LEU HB3 1 25 SER H 5.000 . 6.000 5.943 5.754 6.012 0.012 15 0 "[ . 1 . 2]" 1
1045 1 24 GLU H 1 26 LEU H 4.000 . 4.750 3.748 3.674 3.834 . 0 0 "[ . 1 . 2]" 1
1046 1 25 SER QB 1 27 THR H 5.000 . 6.000 4.992 4.618 5.413 . 0 0 "[ . 1 . 2]" 1
1047 1 26 LEU H 1 28 GLN QB 5.000 . 6.000 5.162 4.534 6.006 0.006 12 0 "[ . 1 . 2]" 1
1048 1 44 SER QB 1 46 ALA H 5.000 . 6.000 5.517 5.212 6.009 0.009 12 0 "[ . 1 . 2]" 1
1049 1 46 ALA MB 1 48 ASN HD22 5.000 . 6.000 4.750 4.116 5.100 . 0 0 "[ . 1 . 2]" 1
1050 1 48 ASN HB3 1 50 GLU H 4.000 . 4.750 2.594 2.477 2.870 . 0 0 "[ . 1 . 2]" 1
1051 1 48 ASN HB2 1 50 GLU H 4.000 . 4.750 3.263 3.013 3.481 . 0 0 "[ . 1 . 2]" 1
1052 1 48 ASN HD21 1 50 GLU H 5.000 . 6.000 4.551 4.299 4.772 . 0 0 "[ . 1 . 2]" 1
1053 1 48 ASN HD21 1 50 GLU QB 4.000 . 4.750 4.471 4.321 4.524 . 0 0 "[ . 1 . 2]" 1
1054 1 48 ASN HD22 1 50 GLU QB 5.000 . 6.000 5.987 5.842 6.013 0.013 15 0 "[ . 1 . 2]" 1
1055 1 49 ALA H 1 51 SER QB 5.000 . 6.000 5.037 4.758 5.307 . 0 0 "[ . 1 . 2]" 1
1056 1 49 ALA MB 1 51 SER H 4.000 . 4.750 4.325 4.274 4.418 . 0 0 "[ . 1 . 2]" 1
1057 1 50 GLU H 1 52 ASN H 4.000 . 4.750 4.272 4.054 4.391 . 0 0 "[ . 1 . 2]" 1
1058 1 50 GLU HA 1 52 ASN H 4.000 . 4.750 3.360 3.291 3.453 . 0 0 "[ . 1 . 2]" 1
1059 1 50 GLU QB 1 52 ASN H 4.000 . 4.750 4.451 4.387 4.492 . 0 0 "[ . 1 . 2]" 1
1060 1 51 SER H 1 53 ASN H 4.000 . 4.750 4.274 4.109 4.478 . 0 0 "[ . 1 . 2]" 1
1061 1 51 SER HA 1 53 ASN H 5.000 . 6.000 4.030 3.513 4.581 . 0 0 "[ . 1 . 2]" 1
1062 1 55 MET QG 1 57 LEU MD2 5.000 . 6.000 3.941 3.656 4.306 . 0 0 "[ . 1 . 2]" 1
1063 1 57 LEU H 1 59 HIS H 5.000 . 6.000 5.643 5.594 5.678 . 0 0 "[ . 1 . 2]" 1
1064 1 57 LEU HG 1 59 HIS HB2 3.000 . 3.500 3.516 3.442 3.533 0.033 13 0 "[ . 1 . 2]" 1
1065 1 57 LEU HG 1 59 HIS HD2 5.000 . 6.000 5.114 5.022 5.137 . 0 0 "[ . 1 . 2]" 1
1066 1 57 LEU MD1 1 59 HIS H 5.000 . 6.000 3.756 3.701 3.815 . 0 0 "[ . 1 . 2]" 1
1067 1 57 LEU MD1 1 59 HIS HA 5.000 . 6.000 4.035 4.013 4.059 . 0 0 "[ . 1 . 2]" 1
1068 1 57 LEU MD1 1 59 HIS HB3 5.000 . 6.000 2.434 2.400 2.497 . 0 0 "[ . 1 . 2]" 1
1069 1 57 LEU MD1 1 59 HIS HB2 4.000 . 4.750 1.784 1.769 1.803 0.031 19 0 "[ . 1 . 2]" 1
1070 1 57 LEU MD1 1 59 HIS HD2 4.000 . 4.750 2.313 2.239 2.336 . 0 0 "[ . 1 . 2]" 1
1071 1 57 LEU MD1 1 59 HIS HE1 5.000 . 6.000 5.307 5.261 5.331 . 0 0 "[ . 1 . 2]" 1
1072 1 57 LEU MD1 1 59 HIS HE2 5.000 . 6.000 4.333 4.294 4.367 . 0 0 "[ . 1 . 2]" 1
1073 1 57 LEU MD2 1 59 HIS H 5.000 . 6.000 5.697 5.665 5.740 . 0 0 "[ . 1 . 2]" 1
1074 1 57 LEU MD2 1 59 HIS HD2 4.000 . 4.750 4.766 4.751 4.781 0.031 3 0 "[ . 1 . 2]" 1
1075 1 57 LEU QB 1 59 HIS HB3 4.000 . 4.750 4.824 4.805 4.833 0.083 1 0 "[ . 1 . 2]" 1
1076 1 57 LEU QB 1 59 HIS HB2 3.000 . 3.500 3.338 3.312 3.358 . 0 0 "[ . 1 . 2]" 1
1077 1 57 LEU QB 1 59 HIS HD2 3.000 . 3.500 3.550 3.533 3.567 0.067 16 0 "[ . 1 . 2]" 1
1078 1 62 THR HA 1 64 TYR H 5.000 . 6.000 5.857 5.748 5.960 . 0 0 "[ . 1 . 2]" 1
1079 1 62 THR HB 1 64 TYR H 5.000 . 6.000 4.716 4.514 4.884 . 0 0 "[ . 1 . 2]" 1
1080 1 62 THR HB 1 64 TYR QD 5.000 . 6.000 2.675 2.566 2.768 . 0 0 "[ . 1 . 2]" 1
1081 1 68 THR MG 1 70 ASP H 5.000 . 6.000 1.977 1.930 2.171 . 0 0 "[ . 1 . 2]" 1
1082 1 68 THR MG 1 70 ASP QB 4.000 . 4.750 2.353 2.132 2.696 . 0 0 "[ . 1 . 2]" 1
1083 1 70 ASP H 1 72 ASN H 5.000 . 6.000 4.604 4.421 4.809 . 0 0 "[ . 1 . 2]" 1
1084 1 70 ASP QB 1 72 ASN H 4.000 . 4.750 4.747 4.603 4.773 0.023 7 0 "[ . 1 . 2]" 1
1085 1 72 ASN H 1 74 TRP HB2 5.000 . 6.000 4.832 4.785 4.891 . 0 0 "[ . 1 . 2]" 1
1086 1 72 ASN H 1 74 TRP HE3 5.000 . 6.000 3.873 3.793 3.977 . 0 0 "[ . 1 . 2]" 1
1087 1 72 ASN HA 1 74 TRP HE1 5.000 . 6.000 6.046 6.017 6.105 0.105 15 0 "[ . 1 . 2]" 1
1088 1 72 ASN HA 1 74 TRP HZ2 5.000 . 6.000 5.781 5.707 5.871 . 0 0 "[ . 1 . 2]" 1
1089 1 72 ASN HA 1 74 TRP HZ3 5.000 . 6.000 6.039 6.010 6.059 0.059 14 0 "[ . 1 . 2]" 1
1090 1 72 ASN HA 1 74 TRP HH2 5.000 . 6.000 5.962 5.902 6.018 0.018 12 0 "[ . 1 . 2]" 1
1091 1 72 ASN QB 1 74 TRP HE1 5.000 . 6.000 4.107 3.610 5.056 . 0 0 "[ . 1 . 2]" 1
1092 1 74 TRP H 1 76 TYR QE 5.000 . 6.000 3.529 3.276 3.850 . 0 0 "[ . 1 . 2]" 1
1093 1 74 TRP HA 1 76 TYR QD 5.000 . 6.000 5.830 5.646 5.915 . 0 0 "[ . 1 . 2]" 1
1094 1 74 TRP HA 1 76 TYR QE 5.000 . 6.000 5.599 5.338 5.790 . 0 0 "[ . 1 . 2]" 1
1095 1 74 TRP HB3 1 76 TYR QE 5.000 . 6.000 4.971 4.667 5.203 . 0 0 "[ . 1 . 2]" 1
1096 1 74 TRP HB2 1 76 TYR QE 4.000 . 4.750 3.710 3.362 4.007 . 0 0 "[ . 1 . 2]" 1
1097 1 74 TRP HE3 1 76 TYR QE 5.000 . 6.000 4.739 4.423 5.125 . 0 0 "[ . 1 . 2]" 1
1098 1 75 ARG H 1 77 TYR QD 5.000 . 6.000 5.657 5.546 5.755 . 0 0 "[ . 1 . 2]" 1
1099 1 75 ARG H 1 77 TYR QE 5.000 . 6.000 4.984 4.770 5.172 . 0 0 "[ . 1 . 2]" 1
1100 1 75 ARG HA 1 77 TYR QD 5.000 . 6.000 5.187 5.048 5.282 . 0 0 "[ . 1 . 2]" 1
1101 1 75 ARG HA 1 77 TYR QE 5.000 . 6.000 4.805 4.595 4.996 . 0 0 "[ . 1 . 2]" 1
1102 1 75 ARG HB3 1 77 TYR QD 5.000 . 6.000 3.431 3.295 3.523 . 0 0 "[ . 1 . 2]" 1
1103 1 75 ARG HB3 1 77 TYR QE 3.000 . 3.500 2.181 1.908 2.426 . 0 0 "[ . 1 . 2]" 1
1104 1 75 ARG HB2 1 77 TYR QD 4.000 . 4.750 4.677 4.348 4.804 0.054 6 0 "[ . 1 . 2]" 1
1105 1 75 ARG HE 1 77 TYR QE 5.000 . 6.000 5.414 3.741 6.026 0.026 19 0 "[ . 1 . 2]" 1
1106 1 75 ARG QG 1 77 TYR QE 3.000 . 3.500 3.547 3.509 3.619 0.119 7 0 "[ . 1 . 2]" 1
1107 1 75 ARG QD 1 77 TYR QE 5.000 . 6.000 4.522 2.745 5.057 . 0 0 "[ . 1 . 2]" 1
1108 1 77 TYR HA 1 79 ASP H 5.000 . 6.000 5.453 5.389 5.639 . 0 0 "[ . 1 . 2]" 1
1109 1 77 TYR QD 1 79 ASP H 5.000 . 6.000 5.976 5.923 6.009 0.009 16 0 "[ . 1 . 2]" 1
1110 1 78 LEU H 1 80 SER H 5.000 . 6.000 5.892 5.665 5.975 . 0 0 "[ . 1 . 2]" 1
1111 1 79 ASP H 1 81 VAL H 5.000 . 6.000 4.351 4.330 4.386 . 0 0 "[ . 1 . 2]" 1
1112 1 79 ASP HA 1 81 VAL H 5.000 . 6.000 4.376 4.356 4.392 . 0 0 "[ . 1 . 2]" 1
1113 1 79 ASP QB 1 81 VAL H 4.000 . 4.750 2.974 2.918 3.007 . 0 0 "[ . 1 . 2]" 1
1114 1 84 HIS HD2 1 86 PRO HA 5.000 . 6.000 3.915 3.781 4.016 . 0 0 "[ . 1 . 2]" 1
1115 1 84 HIS HD2 1 86 PRO HB3 4.000 . 4.750 4.438 4.313 4.537 . 0 0 "[ . 1 . 2]" 1
1116 1 84 HIS HD2 1 86 PRO HB2 5.000 . 6.000 5.750 5.651 5.834 . 0 0 "[ . 1 . 2]" 1
1117 1 84 HIS HD2 1 86 PRO QG 4.000 . 4.750 4.387 4.162 4.614 . 0 0 "[ . 1 . 2]" 1
1118 1 84 HIS HD2 1 86 PRO QD 4.000 . 4.750 2.536 2.297 2.759 . 0 0 "[ . 1 . 2]" 1
1119 1 85 LEU MD2 1 87 PRO HA 5.000 . 6.000 3.807 3.572 4.529 . 0 0 "[ . 1 . 2]" 1
1120 1 85 LEU MD2 1 87 PRO HD2 5.000 . 6.000 5.183 4.938 6.024 0.024 14 0 "[ . 1 . 2]" 1
1121 1 86 PRO HA 1 88 PHE QD 5.000 . 6.000 4.839 4.716 4.938 . 0 0 "[ . 1 . 2]" 1
1122 1 86 PRO HA 1 88 PHE QE 5.000 . 6.000 4.114 3.968 4.247 . 0 0 "[ . 1 . 2]" 1
1123 1 86 PRO HB3 1 88 PHE QD 4.000 . 4.750 4.199 4.055 4.269 . 0 0 "[ . 1 . 2]" 1
1124 1 86 PRO HB3 1 88 PHE QE 3.000 . 3.500 3.100 2.969 3.178 . 0 0 "[ . 1 . 2]" 1
1125 1 86 PRO HB2 1 88 PHE H 5.000 . 6.000 2.462 2.435 2.491 . 0 0 "[ . 1 . 2]" 1
1126 1 86 PRO HB2 1 88 PHE QD 4.000 . 4.750 3.174 3.120 3.228 . 0 0 "[ . 1 . 2]" 1
1127 1 86 PRO HB2 1 88 PHE QE 4.000 . 4.750 2.964 2.913 3.016 . 0 0 "[ . 1 . 2]" 1
1128 1 86 PRO QG 1 88 PHE QD 4.000 . 4.750 3.733 3.636 3.835 . 0 0 "[ . 1 . 2]" 1
1129 1 87 PRO HA 1 89 TRP H 4.000 . 4.750 3.787 3.737 3.842 . 0 0 "[ . 1 . 2]" 1
1130 1 87 PRO HB3 1 89 TRP H 5.000 . 6.000 5.695 5.659 5.732 . 0 0 "[ . 1 . 2]" 1
1131 1 87 PRO HD3 1 89 TRP H 5.000 . 6.000 5.716 5.679 5.746 . 0 0 "[ . 1 . 2]" 1
1132 1 87 PRO HD2 1 89 TRP H 5.000 . 6.000 5.347 5.280 5.411 . 0 0 "[ . 1 . 2]" 1
1133 1 88 PHE H 1 90 GLU H 4.000 . 4.750 4.097 4.047 4.161 . 0 0 "[ . 1 . 2]" 1
1134 1 89 TRP HA 1 91 GLN H 5.000 . 6.000 3.458 3.369 3.582 . 0 0 "[ . 1 . 2]" 1
1135 1 89 TRP HA 1 91 GLN HE22 5.000 . 6.000 5.208 4.922 5.631 . 0 0 "[ . 1 . 2]" 1
1136 1 89 TRP HA 1 91 GLN QG 5.000 . 6.000 3.345 3.305 3.414 . 0 0 "[ . 1 . 2]" 1
1137 1 89 TRP HD1 1 91 GLN H 5.000 . 6.000 5.474 5.395 5.545 . 0 0 "[ . 1 . 2]" 1
1138 1 89 TRP HD1 1 91 GLN QG 4.000 . 4.750 4.776 4.759 4.794 0.044 20 0 "[ . 1 . 2]" 1
1139 1 91 GLN H 1 93 ILE H 5.000 . 6.000 3.768 3.695 3.891 . 0 0 "[ . 1 . 2]" 1
1140 1 91 GLN HA 1 93 ILE H 5.000 . 6.000 3.763 3.664 3.926 . 0 0 "[ . 1 . 2]" 1
1141 1 92 TYR HB3 1 94 ASN HD21 5.000 . 6.000 5.320 5.079 5.463 . 0 0 "[ . 1 . 2]" 1
1142 1 92 TYR HB2 1 94 ASN HD21 5.000 . 6.000 5.979 5.812 6.036 0.036 13 0 "[ . 1 . 2]" 1
1143 1 94 ASN H 1 96 GLU H 5.000 . 6.000 4.812 4.585 4.977 . 0 0 "[ . 1 . 2]" 1
1144 1 94 ASN HA 1 96 GLU H 5.000 . 6.000 4.921 4.816 4.970 . 0 0 "[ . 1 . 2]" 1
1145 1 94 ASN QB 1 96 GLU H 3.000 . 3.500 3.099 2.943 3.512 0.012 3 0 "[ . 1 . 2]" 1
1146 1 95 ASP HA 1 97 ASN HD22 5.000 . 6.000 5.123 4.755 5.431 . 0 0 "[ . 1 . 2]" 1
1147 1 99 VAL HB 1 101 LEU MD1 5.000 . 6.000 5.043 4.897 5.162 . 0 0 "[ . 1 . 2]" 1
1148 1 101 LEU HG 1 103 HIS HE1 5.000 . 6.000 6.019 6.005 6.048 0.048 8 0 "[ . 1 . 2]" 1
1149 1 101 LEU MD1 1 103 HIS H 5.000 . 6.000 4.042 3.793 4.466 . 0 0 "[ . 1 . 2]" 1
1150 1 101 LEU MD1 1 103 HIS HE1 5.000 . 6.000 3.300 3.207 3.438 . 0 0 "[ . 1 . 2]" 1
1151 1 101 LEU MD2 1 103 HIS HE1 5.000 . 6.000 4.874 4.610 5.322 . 0 0 "[ . 1 . 2]" 1
1152 1 102 ILE H 1 104 THR MG 5.000 . 6.000 4.698 4.536 4.979 . 0 0 "[ . 1 . 2]" 1
1153 1 102 ILE HA 1 104 THR MG 5.000 . 6.000 5.439 5.262 5.745 . 0 0 "[ . 1 . 2]" 1
1154 1 104 THR H 1 106 SER H 4.000 . 4.750 4.042 3.882 4.278 . 0 0 "[ . 1 . 2]" 1
1155 1 104 THR H 1 106 SER HG 4.000 . 4.750 4.767 4.738 4.790 0.040 19 0 "[ . 1 . 2]" 1
1156 1 104 THR HA 1 106 SER HG 5.000 . 6.000 5.317 5.201 5.445 . 0 0 "[ . 1 . 2]" 1
1157 1 104 THR HB 1 106 SER HG 4.000 . 4.750 3.724 3.508 4.149 . 0 0 "[ . 1 . 2]" 1
1158 1 104 THR HG1 1 106 SER H 5.000 . 6.000 2.046 1.974 2.227 . 0 0 "[ . 1 . 2]" 1
1159 1 104 THR HG1 1 106 SER HG 4.000 . 4.750 2.374 1.979 2.513 . 0 0 "[ . 1 . 2]" 1
1160 1 104 THR MG 1 106 SER H 4.000 . 4.750 3.812 3.689 3.878 . 0 0 "[ . 1 . 2]" 1
1161 1 104 THR MG 1 106 SER HG 3.000 . 3.500 3.555 3.525 3.610 0.110 3 0 "[ . 1 . 2]" 1
1162 1 110 VAL HA 1 112 SER H 3.000 . 3.500 3.506 3.451 3.531 0.031 5 0 "[ . 1 . 2]" 1
1163 1 113 LEU H 1 115 GLY H 4.000 . 4.750 4.800 4.771 4.830 0.080 2 0 "[ . 1 . 2]" 1
1164 1 114 ASN H 1 116 HIS H 5.000 . 6.000 4.663 4.270 4.775 . 0 0 "[ . 1 . 2]" 1
1165 1 114 ASN H 1 116 HIS HB2 5.000 . 6.000 5.398 5.289 5.521 . 0 0 "[ . 1 . 2]" 1
1166 1 114 ASN H 1 116 HIS HD2 5.000 . 6.000 4.031 3.835 4.184 . 0 0 "[ . 1 . 2]" 1
1167 1 114 ASN HA 1 116 HIS HD2 5.000 . 6.000 4.597 4.532 4.779 . 0 0 "[ . 1 . 2]" 1
1168 1 114 ASN HD21 1 116 HIS HD2 5.000 . 6.000 4.269 3.726 4.669 . 0 0 "[ . 1 . 2]" 1
1169 1 114 ASN HD22 1 116 HIS HD2 5.000 . 6.000 4.127 3.752 4.412 . 0 0 "[ . 1 . 2]" 1
1170 1 114 ASN QB 1 116 HIS HD2 4.000 . 4.750 4.422 4.255 4.653 . 0 0 "[ . 1 . 2]" 1
1171 1 117 THR HA 1 119 GLN H 5.000 . 6.000 4.238 4.039 4.344 . 0 0 "[ . 1 . 2]" 1
1172 1 117 THR HB 1 119 GLN H 4.000 . 4.750 3.058 2.401 3.237 . 0 0 "[ . 1 . 2]" 1
1173 1 117 THR MG 1 119 GLN H 5.000 . 6.000 4.479 4.014 4.591 . 0 0 "[ . 1 . 2]" 1
1174 1 118 LEU HA 1 120 GLU H 4.000 . 4.750 4.726 4.581 4.791 0.041 1 0 "[ . 1 . 2]" 1
1175 1 118 LEU MD2 1 120 GLU H 5.000 . 6.000 5.654 5.413 5.752 . 0 0 "[ . 1 . 2]" 1
1176 1 3 PHE HA 1 6 ALA H 4.000 . 4.750 3.027 2.845 3.311 . 0 0 "[ . 1 . 2]" 1
1177 1 3 PHE HB3 1 6 ALA H 4.000 . 4.750 4.359 4.143 4.724 . 0 0 "[ . 1 . 2]" 1
1178 1 3 PHE HB3 1 6 ALA MB 4.000 . 4.750 2.697 2.448 3.008 . 0 0 "[ . 1 . 2]" 1
1179 1 3 PHE HB2 1 6 ALA H 5.000 . 6.000 5.111 4.921 5.359 . 0 0 "[ . 1 . 2]" 1
1180 1 3 PHE HB2 1 6 ALA MB 4.000 . 4.750 3.943 3.735 4.190 . 0 0 "[ . 1 . 2]" 1
1181 1 3 PHE QD 1 6 ALA HA 5.000 . 6.000 5.532 5.268 5.727 . 0 0 "[ . 1 . 2]" 1
1182 1 3 PHE QD 1 6 ALA MB 5.000 . 6.000 3.010 2.840 3.157 . 0 0 "[ . 1 . 2]" 1
1183 1 9 ARG HE 1 12 THR H 5.000 . 6.000 5.216 4.635 6.010 0.010 9 0 "[ . 1 . 2]" 1
1184 1 12 THR H 1 15 GLU H 4.000 . 4.750 4.065 3.885 4.235 . 0 0 "[ . 1 . 2]" 1
1185 1 12 THR H 1 15 GLU QB 3.000 . 3.500 2.669 2.454 2.918 . 0 0 "[ . 1 . 2]" 1
1186 1 12 THR H 1 15 GLU QG 5.000 . 6.000 4.043 3.932 4.183 . 0 0 "[ . 1 . 2]" 1
1187 1 12 THR HA 1 15 GLU H 5.000 . 6.000 4.664 4.507 4.766 . 0 0 "[ . 1 . 2]" 1
1188 1 12 THR HB 1 15 GLU H 4.000 . 4.750 3.701 3.599 3.809 . 0 0 "[ . 1 . 2]" 1
1189 1 12 THR MG 1 15 GLU H 5.000 . 6.000 3.963 3.923 3.996 . 0 0 "[ . 1 . 2]" 1
1190 1 13 PRO HA 1 16 ARG H 3.000 . 3.500 3.519 3.507 3.528 0.028 18 0 "[ . 1 . 2]" 1
1191 1 13 PRO HA 1 16 ARG QB 3.000 . 3.500 2.623 2.416 2.903 . 0 0 "[ . 1 . 2]" 1
1192 1 13 PRO HA 1 16 ARG QD 5.000 . 6.000 4.294 3.179 5.418 . 0 0 "[ . 1 . 2]" 1
1193 1 14 GLU HA 1 17 SER H 3.000 . 3.500 3.466 3.281 3.519 0.019 20 0 "[ . 1 . 2]" 1
1194 1 15 GLU H 1 18 ALA MB 5.000 . 6.000 4.872 4.662 5.343 . 0 0 "[ . 1 . 2]" 1
1195 1 15 GLU HA 1 18 ALA MB 4.000 . 4.750 2.878 2.706 3.568 . 0 0 "[ . 1 . 2]" 1
1196 1 16 ARG HA 1 19 VAL HB 3.000 . 3.500 2.763 2.231 3.072 . 0 0 "[ . 1 . 2]" 1
1197 1 17 SER H 1 20 GLU QG 5.000 . 6.000 4.816 4.223 6.002 0.002 17 0 "[ . 1 . 2]" 1
1198 1 17 SER HA 1 20 GLU H 4.000 . 4.750 3.760 3.612 3.874 . 0 0 "[ . 1 . 2]" 1
1199 1 17 SER HA 1 20 GLU QB 3.000 . 3.500 3.304 2.536 3.532 0.032 14 0 "[ . 1 . 2]" 1
1200 1 17 SER HA 1 20 GLU QG 4.000 . 4.750 2.644 1.890 4.526 . 0 0 "[ . 1 . 2]" 1
1201 1 18 ALA H 1 21 ASN QB 5.000 . 6.000 4.672 4.201 5.030 . 0 0 "[ . 1 . 2]" 1
1202 1 18 ALA HA 1 21 ASN H 3.000 . 3.500 3.413 3.225 3.532 0.032 6 0 "[ . 1 . 2]" 1
1203 1 18 ALA HA 1 21 ASN HD21 5.000 . 6.000 2.030 1.901 2.259 . 0 0 "[ . 1 . 2]" 1
1204 1 18 ALA HA 1 21 ASN HD22 3.000 . 3.500 3.514 3.500 3.552 0.052 14 0 "[ . 1 . 2]" 1
1205 1 18 ALA HA 1 21 ASN QB 3.000 . 3.500 2.424 2.142 2.722 . 0 0 "[ . 1 . 2]" 1
1206 1 18 ALA MB 1 21 ASN H 4.000 . 4.750 4.463 4.350 4.566 . 0 0 "[ . 1 . 2]" 1
1207 1 18 ALA MB 1 21 ASN HD22 5.000 . 6.000 4.460 3.880 4.795 . 0 0 "[ . 1 . 2]" 1
1208 1 18 ALA MB 1 21 ASN QB 5.000 . 6.000 3.821 3.667 4.131 . 0 0 "[ . 1 . 2]" 1
1209 1 19 VAL HA 1 22 TYR H 3.000 . 3.500 3.269 3.148 3.513 0.013 7 0 "[ . 1 . 2]" 1
1210 1 19 VAL HA 1 22 TYR HB3 4.000 . 4.750 2.400 2.160 2.586 . 0 0 "[ . 1 . 2]" 1
1211 1 19 VAL HA 1 22 TYR HB2 4.000 . 4.750 3.694 3.500 4.029 . 0 0 "[ . 1 . 2]" 1
1212 1 19 VAL HA 1 22 TYR QD 3.000 . 3.500 3.174 2.617 3.524 0.024 6 0 "[ . 1 . 2]" 1
1213 1 19 VAL HA 1 22 TYR QE 5.000 . 6.000 5.348 4.825 5.677 . 0 0 "[ . 1 . 2]" 1
1214 1 20 GLU H 1 23 LEU QD 4.000 . 4.750 4.001 3.367 4.269 . 0 0 "[ . 1 . 2]" 1
1215 1 20 GLU HA 1 23 LEU H 3.000 . 3.500 3.499 3.454 3.524 0.024 5 0 "[ . 1 . 2]" 1
1216 1 20 GLU HA 1 23 LEU HB3 4.000 . 4.750 4.642 4.220 4.756 0.006 10 0 "[ . 1 . 2]" 1
1217 1 20 GLU HA 1 23 LEU HB2 3.000 . 3.500 3.055 2.597 3.246 . 0 0 "[ . 1 . 2]" 1
1218 1 21 ASN HA 1 24 GLU QB 3.000 . 3.500 2.587 2.381 2.972 . 0 0 "[ . 1 . 2]" 1
1219 1 21 ASN HA 1 24 GLU QG 4.000 . 4.750 4.121 3.284 4.731 . 0 0 "[ . 1 . 2]" 1
1220 1 21 ASN QB 1 24 GLU H 5.000 . 6.000 5.067 4.874 5.287 . 0 0 "[ . 1 . 2]" 1
1221 1 21 ASN QB 1 24 GLU QB 5.000 . 6.000 4.327 4.137 4.576 . 0 0 "[ . 1 . 2]" 1
1222 1 22 TYR QD 1 25 SER QB 5.000 . 6.000 4.397 4.149 5.386 . 0 0 "[ . 1 . 2]" 1
1223 1 23 LEU H 1 26 LEU MD1 5.000 . 6.000 3.838 3.431 4.369 . 0 0 "[ . 1 . 2]" 1
1224 1 23 LEU HA 1 26 LEU H 4.000 . 4.750 3.428 3.372 3.494 . 0 0 "[ . 1 . 2]" 1
1225 1 23 LEU HA 1 26 LEU HB3 3.000 . 3.500 3.544 3.526 3.567 0.067 3 0 "[ . 1 . 2]" 1
1226 1 23 LEU HA 1 26 LEU HG 3.000 . 3.500 3.474 3.300 3.520 0.020 9 0 "[ . 1 . 2]" 1
1227 1 23 LEU HA 1 26 LEU MD1 5.000 . 6.000 2.102 1.787 2.500 0.013 17 0 "[ . 1 . 2]" 1
1228 1 23 LEU HA 1 26 LEU MD2 5.000 . 6.000 4.340 4.126 4.582 . 0 0 "[ . 1 . 2]" 1
1229 1 24 GLU HA 1 27 THR H 4.000 . 4.750 3.726 3.452 4.007 . 0 0 "[ . 1 . 2]" 1
1230 1 24 GLU HA 1 27 THR MG 5.000 . 6.000 4.019 2.121 5.016 . 0 0 "[ . 1 . 2]" 1
1231 1 25 SER HA 1 28 GLN HE21 5.000 . 6.000 3.986 1.978 5.983 . 0 0 "[ . 1 . 2]" 1
1232 1 25 SER HA 1 28 GLN HE22 5.000 . 6.000 4.759 2.136 6.000 0.000 16 0 "[ . 1 . 2]" 1
1233 1 26 LEU H 1 29 VAL H 4.000 . 4.750 4.680 4.488 4.766 0.016 11 0 "[ . 1 . 2]" 1
1234 1 26 LEU HA 1 29 VAL HB 3.000 . 3.500 3.115 2.484 3.402 . 0 0 "[ . 1 . 2]" 1
1235 1 26 LEU HB3 1 29 VAL H 5.000 . 6.000 5.376 4.908 5.778 . 0 0 "[ . 1 . 2]" 1
1236 1 26 LEU HB2 1 29 VAL H 5.000 . 6.000 5.624 5.412 5.881 . 0 0 "[ . 1 . 2]" 1
1237 1 26 LEU MD2 1 29 VAL H 5.000 . 6.000 4.893 4.265 5.417 . 0 0 "[ . 1 . 2]" 1
1238 1 27 THR HA 1 30 LEU MD1 5.000 . 6.000 4.884 3.015 6.001 0.001 14 0 "[ . 1 . 2]" 1
1239 1 48 ASN H 1 51 SER H 4.000 . 4.750 3.051 2.925 3.239 . 0 0 "[ . 1 . 2]" 1
1240 1 48 ASN H 1 51 SER QB 4.000 . 4.750 2.531 1.838 3.336 . 0 0 "[ . 1 . 2]" 1
1241 1 48 ASN HD21 1 51 SER H 5.000 . 6.000 5.902 5.575 6.021 0.021 9 0 "[ . 1 . 2]" 1
1242 1 49 ALA HA 1 52 ASN H 5.000 . 6.000 4.116 3.866 4.288 . 0 0 "[ . 1 . 2]" 1
1243 1 49 ALA HA 1 52 ASN HD21 5.000 . 6.000 5.614 5.226 5.867 . 0 0 "[ . 1 . 2]" 1
1244 1 49 ALA HA 1 52 ASN HD22 4.000 . 4.750 4.535 4.052 4.753 0.003 17 0 "[ . 1 . 2]" 1
1245 1 49 ALA MB 1 52 ASN H 5.000 . 6.000 4.749 4.615 4.950 . 0 0 "[ . 1 . 2]" 1
1246 1 49 ALA MB 1 52 ASN HD21 5.000 . 6.000 6.039 6.021 6.063 0.063 7 0 "[ . 1 . 2]" 1
1247 1 50 GLU H 1 53 ASN HD21 5.000 . 6.000 4.860 4.477 5.282 . 0 0 "[ . 1 . 2]" 1
1248 1 50 GLU HA 1 53 ASN H 5.000 . 6.000 3.233 2.960 3.775 . 0 0 "[ . 1 . 2]" 1
1249 1 50 GLU HA 1 53 ASN HD21 5.000 . 6.000 2.095 1.891 2.573 . 0 0 "[ . 1 . 2]" 1
1250 1 50 GLU HA 1 53 ASN HD22 5.000 . 6.000 2.750 2.597 2.861 . 0 0 "[ . 1 . 2]" 1
1251 1 50 GLU QB 1 53 ASN H 5.000 . 6.000 4.482 4.265 4.630 . 0 0 "[ . 1 . 2]" 1
1252 1 50 GLU QB 1 53 ASN HD21 5.000 . 6.000 3.845 3.750 4.023 . 0 0 "[ . 1 . 2]" 1
1253 1 50 GLU QB 1 53 ASN HD22 4.000 . 4.750 4.767 4.757 4.785 0.035 10 0 "[ . 1 . 2]" 1
1254 1 53 ASN HA 1 56 MET ME 5.000 . 6.000 5.460 5.116 5.951 . 0 0 "[ . 1 . 2]" 1
1255 1 67 SER QB 1 70 ASP H 5.000 . 6.000 6.015 5.930 6.030 0.030 4 0 "[ . 1 . 2]" 1
1256 1 71 PRO HA 1 74 TRP HZ2 5.000 . 6.000 3.846 3.661 3.999 . 0 0 "[ . 1 . 2]" 1
1257 1 71 PRO HA 1 74 TRP HZ3 5.000 . 6.000 2.500 2.373 2.613 . 0 0 "[ . 1 . 2]" 1
1258 1 71 PRO QB 1 74 TRP HE3 5.000 . 6.000 5.601 5.451 5.680 . 0 0 "[ . 1 . 2]" 1
1259 1 71 PRO QB 1 74 TRP HZ2 5.000 . 6.000 5.338 5.183 5.467 . 0 0 "[ . 1 . 2]" 1
1260 1 71 PRO QG 1 74 TRP HE3 5.000 . 6.000 5.995 5.881 6.031 0.031 14 0 "[ . 1 . 2]" 1
1261 1 77 TYR HB3 1 80 SER HA 5.000 . 6.000 4.843 4.720 5.046 . 0 0 "[ . 1 . 2]" 1
1262 1 77 TYR QD 1 80 SER H 5.000 . 6.000 6.057 6.043 6.071 0.071 16 0 "[ . 1 . 2]" 1
1263 1 77 TYR QD 1 80 SER HA 4.000 . 4.750 4.330 4.282 4.373 . 0 0 "[ . 1 . 2]" 1
1264 1 77 TYR QE 1 80 SER HA 5.000 . 6.000 5.873 5.745 6.005 0.005 16 0 "[ . 1 . 2]" 1
1265 1 78 LEU H 1 81 VAL H 4.000 . 4.750 3.732 3.465 3.847 . 0 0 "[ . 1 . 2]" 1
1266 1 78 LEU H 1 81 VAL HA 5.000 . 6.000 5.032 4.888 5.122 . 0 0 "[ . 1 . 2]" 1
1267 1 78 LEU H 1 81 VAL HB 4.000 . 4.750 3.732 3.640 3.868 . 0 0 "[ . 1 . 2]" 1
1268 1 78 LEU MD1 1 81 VAL H 5.000 . 6.000 4.549 4.329 6.007 0.007 18 0 "[ . 1 . 2]" 1
1269 1 78 LEU MD1 1 81 VAL HB 5.000 . 6.000 4.540 4.294 5.967 . 0 0 "[ . 1 . 2]" 1
1270 1 78 LEU MD2 1 81 VAL H 5.000 . 6.000 6.023 6.006 6.044 0.044 8 0 "[ . 1 . 2]" 1
1271 1 78 LEU MD2 1 81 VAL HB 5.000 . 6.000 5.711 5.072 5.885 . 0 0 "[ . 1 . 2]" 1
1272 1 84 HIS HD2 1 87 PRO HD3 5.000 . 6.000 5.773 5.621 5.893 . 0 0 "[ . 1 . 2]" 1
1273 1 84 HIS HD2 1 87 PRO HD2 5.000 . 6.000 5.527 5.411 5.664 . 0 0 "[ . 1 . 2]" 1
1274 1 84 HIS HE1 1 87 PRO HD2 5.000 . 6.000 6.044 6.020 6.064 0.064 12 0 "[ . 1 . 2]" 1
1275 1 85 LEU MD2 1 88 PHE HA 5.000 . 6.000 5.510 5.336 6.027 0.027 10 0 "[ . 1 . 2]" 1
1276 1 86 PRO HB3 1 89 TRP H 5.000 . 6.000 5.285 5.199 5.389 . 0 0 "[ . 1 . 2]" 1
1277 1 86 PRO HB3 1 89 TRP HE1 5.000 . 6.000 6.013 5.972 6.041 0.041 19 0 "[ . 1 . 2]" 1
1278 1 86 PRO HB2 1 89 TRP H 4.000 . 4.750 3.668 3.553 3.774 . 0 0 "[ . 1 . 2]" 1
1279 1 86 PRO HB2 1 89 TRP HB3 5.000 . 6.000 6.007 5.901 6.033 0.033 12 0 "[ . 1 . 2]" 1
1280 1 86 PRO HB2 1 89 TRP HB2 5.000 . 6.000 4.634 4.538 4.665 . 0 0 "[ . 1 . 2]" 1
1281 1 86 PRO HB2 1 89 TRP HD1 5.000 . 6.000 5.013 4.968 5.062 . 0 0 "[ . 1 . 2]" 1
1282 1 86 PRO HB2 1 89 TRP HE3 5.000 . 6.000 5.078 4.908 5.256 . 0 0 "[ . 1 . 2]" 1
1283 1 86 PRO HB2 1 89 TRP HH2 5.000 . 6.000 5.775 5.647 6.008 0.008 10 0 "[ . 1 . 2]" 1
1284 1 86 PRO QG 1 89 TRP HE3 4.000 . 4.750 2.933 2.878 3.002 . 0 0 "[ . 1 . 2]" 1
1285 1 86 PRO QG 1 89 TRP HZ2 3.000 . 3.500 3.327 3.295 3.369 . 0 0 "[ . 1 . 2]" 1
1286 1 86 PRO QG 1 89 TRP HH2 4.000 . 4.750 3.174 3.076 3.341 . 0 0 "[ . 1 . 2]" 1
1287 1 86 PRO QD 1 89 TRP HE3 3.000 . 3.500 2.489 2.387 2.638 . 0 0 "[ . 1 . 2]" 1
1288 1 86 PRO QD 1 89 TRP HH2 4.000 . 4.750 3.704 3.664 3.783 . 0 0 "[ . 1 . 2]" 1
1289 1 87 PRO HA 1 90 GLU QB 3.000 . 3.500 3.335 3.165 3.507 0.007 1 0 "[ . 1 . 2]" 1
1290 1 87 PRO HA 1 90 GLU QG 4.000 . 4.750 3.422 3.018 4.045 . 0 0 "[ . 1 . 2]" 1
1291 1 88 PHE HA 1 91 GLN HE21 5.000 . 6.000 2.998 2.539 3.954 . 0 0 "[ . 1 . 2]" 1
1292 1 88 PHE HA 1 91 GLN HE22 5.000 . 6.000 2.744 2.296 3.260 . 0 0 "[ . 1 . 2]" 1
1293 1 88 PHE HB2 1 91 GLN HE22 5.000 . 6.000 4.550 4.300 5.062 . 0 0 "[ . 1 . 2]" 1
1294 1 89 TRP H 1 92 TYR QD 5.000 . 6.000 4.957 4.906 5.024 . 0 0 "[ . 1 . 2]" 1
1295 1 89 TRP H 1 92 TYR QE 5.000 . 6.000 5.396 5.359 5.435 . 0 0 "[ . 1 . 2]" 1
1296 1 89 TRP HA 1 92 TYR HB3 5.000 . 6.000 3.913 3.831 3.993 . 0 0 "[ . 1 . 2]" 1
1297 1 89 TRP HA 1 92 TYR HB2 5.000 . 6.000 2.413 2.329 2.488 . 0 0 "[ . 1 . 2]" 1
1298 1 89 TRP HA 1 92 TYR QD 3.000 . 3.500 2.640 2.580 2.703 . 0 0 "[ . 1 . 2]" 1
1299 1 89 TRP HA 1 92 TYR QE 4.000 . 4.750 3.787 3.767 3.823 . 0 0 "[ . 1 . 2]" 1
1300 1 89 TRP HB3 1 92 TYR HB2 5.000 . 6.000 2.616 2.446 2.765 . 0 0 "[ . 1 . 2]" 1
1301 1 89 TRP HB3 1 92 TYR QD 4.000 . 4.750 3.619 3.530 3.760 . 0 0 "[ . 1 . 2]" 1
1302 1 89 TRP HB3 1 92 TYR QE 5.000 . 6.000 5.466 5.414 5.542 . 0 0 "[ . 1 . 2]" 1
1303 1 89 TRP HB2 1 92 TYR QD 4.000 . 4.750 4.659 4.587 4.733 . 0 0 "[ . 1 . 2]" 1
1304 1 89 TRP HB2 1 92 TYR QE 5.000 . 6.000 6.009 5.982 6.020 0.020 19 0 "[ . 1 . 2]" 1
1305 1 89 TRP HD1 1 92 TYR HA 5.000 . 6.000 6.069 6.044 6.088 0.088 2 0 "[ . 1 . 2]" 1
1306 1 89 TRP HD1 1 92 TYR HB3 5.000 . 6.000 4.603 4.556 4.648 . 0 0 "[ . 1 . 2]" 1
1307 1 89 TRP HD1 1 92 TYR HB2 5.000 . 6.000 3.606 3.581 3.647 . 0 0 "[ . 1 . 2]" 1
1308 1 89 TRP HD1 1 92 TYR QD 2.500 . 2.800 1.942 1.915 1.999 . 0 0 "[ . 1 . 2]" 1
1309 1 89 TRP HD1 1 92 TYR QE 2.500 . 2.800 2.495 2.454 2.514 . 0 0 "[ . 1 . 2]" 1
1310 1 89 TRP HE1 1 92 TYR QD 4.000 . 4.750 3.526 3.412 3.600 . 0 0 "[ . 1 . 2]" 1
1311 1 89 TRP HE1 1 92 TYR QE 4.000 . 4.750 3.471 3.399 3.517 . 0 0 "[ . 1 . 2]" 1
1312 1 94 ASN H 1 97 ASN HA 5.000 . 6.000 4.512 4.283 4.739 . 0 0 "[ . 1 . 2]" 1
1313 1 94 ASN H 1 97 ASN HB3 5.000 . 6.000 3.568 3.327 4.215 . 0 0 "[ . 1 . 2]" 1
1314 1 94 ASN H 1 97 ASN HD22 4.000 . 4.750 2.376 1.948 2.679 . 0 0 "[ . 1 . 2]" 1
1315 1 94 ASN HD21 1 97 ASN HA 5.000 . 6.000 4.281 3.612 5.117 . 0 0 "[ . 1 . 2]" 1
1316 1 94 ASN HD21 1 97 ASN HB2 5.000 . 6.000 5.005 4.301 6.010 0.010 18 0 "[ . 1 . 2]" 1
1317 1 94 ASN HD22 1 97 ASN HA 5.000 . 6.000 5.016 2.264 6.000 0.000 1 0 "[ . 1 . 2]" 1
1318 1 94 ASN QB 1 97 ASN H 5.000 . 6.000 5.454 5.059 6.108 0.108 13 0 "[ . 1 . 2]" 1
1319 1 94 ASN QB 1 97 ASN HA 5.000 . 6.000 4.660 4.202 5.464 . 0 0 "[ . 1 . 2]" 1
1320 1 104 THR HG1 1 107 LEU H 5.000 . 6.000 2.135 1.932 3.503 . 0 0 "[ . 1 . 2]" 1
1321 1 104 THR MG 1 107 LEU HA 4.000 . 4.750 4.748 4.704 4.788 0.038 3 0 "[ . 1 . 2]" 1
1322 1 110 VAL HB 1 113 LEU MD1 4.000 . 4.750 3.659 3.536 3.753 . 0 0 "[ . 1 . 2]" 1
1323 1 113 LEU H 1 116 HIS H 3.000 . 3.500 3.223 3.185 3.266 . 0 0 "[ . 1 . 2]" 1
1324 1 113 LEU H 1 116 HIS HB2 4.000 . 4.750 3.536 3.399 3.723 . 0 0 "[ . 1 . 2]" 1
1325 1 113 LEU HA 1 116 HIS HD2 5.000 . 6.000 4.998 4.737 5.223 . 0 0 "[ . 1 . 2]" 1
1326 1 113 LEU HB3 1 116 HIS HD2 5.000 . 6.000 2.641 2.354 2.838 . 0 0 "[ . 1 . 2]" 1
1327 1 113 LEU HG 1 116 HIS HD2 4.000 . 4.750 4.528 4.316 4.666 . 0 0 "[ . 1 . 2]" 1
1328 1 113 LEU MD1 1 116 HIS HD2 5.000 . 6.000 5.101 4.848 5.276 . 0 0 "[ . 1 . 2]" 1
1329 1 113 LEU MD2 1 116 HIS HD2 5.000 . 6.000 2.892 2.507 3.144 . 0 0 "[ . 1 . 2]" 1
1330 1 117 THR HB 1 120 GLU H 5.000 . 6.000 5.119 4.611 5.684 . 0 0 "[ . 1 . 2]" 1
1331 1 11 LEU HG 1 15 GLU QB 3.000 . 3.500 2.823 2.419 3.503 0.003 15 0 "[ . 1 . 2]" 1
1332 1 11 LEU MD2 1 15 GLU H 5.000 . 6.000 5.462 5.103 6.006 0.006 15 0 "[ . 1 . 2]" 1
1333 1 11 LEU MD2 1 15 GLU HA 5.000 . 6.000 5.162 4.780 5.826 . 0 0 "[ . 1 . 2]" 1
1334 1 11 LEU MD2 1 15 GLU QB 4.000 . 4.750 3.283 2.919 3.893 . 0 0 "[ . 1 . 2]" 1
1335 1 12 THR H 1 16 ARG H 5.000 . 6.000 4.404 4.129 4.665 . 0 0 "[ . 1 . 2]" 1
1336 1 12 THR H 1 16 ARG QB 5.000 . 6.000 4.820 4.343 5.198 . 0 0 "[ . 1 . 2]" 1
1337 1 16 ARG HA 1 20 GLU H 4.000 . 4.750 3.859 3.569 4.119 . 0 0 "[ . 1 . 2]" 1
1338 1 16 ARG QG 1 20 GLU H 5.000 . 6.000 4.557 4.010 5.057 . 0 0 "[ . 1 . 2]" 1
1339 1 16 ARG QG 1 20 GLU QB 4.000 . 4.750 4.232 3.206 4.758 0.008 17 0 "[ . 1 . 2]" 1
1340 1 16 ARG QG 1 20 GLU QG 5.000 . 6.000 4.810 3.609 6.002 0.002 7 0 "[ . 1 . 2]" 1
1341 1 16 ARG QD 1 20 GLU H 5.000 . 6.000 5.953 5.634 6.030 0.030 5 0 "[ . 1 . 2]" 1
1342 1 17 SER QB 1 21 ASN HD21 5.000 . 6.000 4.454 3.652 5.774 . 0 0 "[ . 1 . 2]" 1
1343 1 18 ALA HA 1 22 TYR H 4.000 . 4.750 4.160 3.878 4.411 . 0 0 "[ . 1 . 2]" 1
1344 1 18 ALA MB 1 22 TYR HB2 5.000 . 6.000 4.540 4.156 4.850 . 0 0 "[ . 1 . 2]" 1
1345 1 19 VAL HA 1 23 LEU QD 3.000 . 3.500 3.525 3.512 3.546 0.046 10 0 "[ . 1 . 2]" 1
1346 1 20 GLU HA 1 24 GLU H 4.000 . 4.750 3.737 3.548 3.963 . 0 0 "[ . 1 . 2]" 1
1347 1 22 TYR H 1 26 LEU MD1 5.000 . 6.000 5.454 4.969 6.004 0.004 4 0 "[ . 1 . 2]" 1
1348 1 22 TYR HA 1 26 LEU H 4.000 . 4.750 4.124 3.972 4.271 . 0 0 "[ . 1 . 2]" 1
1349 1 22 TYR QD 1 26 LEU MD1 5.000 . 6.000 3.021 2.687 3.473 . 0 0 "[ . 1 . 2]" 1
1350 1 22 TYR QE 1 26 LEU H 5.000 . 6.000 5.672 5.497 5.852 . 0 0 "[ . 1 . 2]" 1
1351 1 22 TYR QE 1 26 LEU HA 5.000 . 6.000 5.173 4.732 5.593 . 0 0 "[ . 1 . 2]" 1
1352 1 22 TYR QE 1 26 LEU HB3 5.000 . 6.000 5.314 5.146 5.516 . 0 0 "[ . 1 . 2]" 1
1353 1 22 TYR QE 1 26 LEU HB2 5.000 . 6.000 5.007 4.832 5.200 . 0 0 "[ . 1 . 2]" 1
1354 1 22 TYR QE 1 26 LEU HG 4.000 . 4.750 3.104 2.791 3.644 . 0 0 "[ . 1 . 2]" 1
1355 1 22 TYR QE 1 26 LEU MD1 3.000 . 3.500 2.504 2.314 2.751 . 0 0 "[ . 1 . 2]" 1
1356 1 22 TYR QE 1 26 LEU MD2 3.000 . 3.500 2.824 2.268 3.361 . 0 0 "[ . 1 . 2]" 1
1357 1 23 LEU HA 1 27 THR H 4.000 . 4.750 4.431 4.160 4.745 . 0 0 "[ . 1 . 2]" 1
1358 1 47 LEU QB 1 51 SER QB 4.000 . 4.750 2.919 2.232 3.600 . 0 0 "[ . 1 . 2]" 1
1359 1 47 LEU QD 1 51 SER QB 4.000 . 4.750 2.460 1.847 3.187 . 0 0 "[ . 1 . 2]" 1
1360 1 77 TYR HA 1 81 VAL H 5.000 . 6.000 4.970 4.910 5.051 . 0 0 "[ . 1 . 2]" 1
1361 1 77 TYR HA 1 81 VAL HB 5.000 . 6.000 5.276 5.199 5.399 . 0 0 "[ . 1 . 2]" 1
1362 1 77 TYR HB3 1 81 VAL H 5.000 . 6.000 4.221 4.134 4.291 . 0 0 "[ . 1 . 2]" 1
1363 1 77 TYR HB3 1 81 VAL HB 5.000 . 6.000 5.840 5.738 5.996 . 0 0 "[ . 1 . 2]" 1
1364 1 77 TYR HB2 1 81 VAL H 5.000 . 6.000 5.960 5.872 6.028 0.028 8 0 "[ . 1 . 2]" 1
1365 1 77 TYR QD 1 81 VAL H 4.000 . 4.750 4.034 3.971 4.163 . 0 0 "[ . 1 . 2]" 1
1366 1 77 TYR QD 1 81 VAL HA 4.000 . 4.750 3.982 3.895 4.093 . 0 0 "[ . 1 . 2]" 1
1367 1 77 TYR QD 1 81 VAL HB 5.000 . 6.000 5.439 5.360 5.563 . 0 0 "[ . 1 . 2]" 1
1368 1 77 TYR QE 1 81 VAL H 5.000 . 6.000 5.828 5.714 5.999 . 0 0 "[ . 1 . 2]" 1
1369 1 77 TYR QE 1 81 VAL HA 5.000 . 6.000 4.548 4.400 4.643 . 0 0 "[ . 1 . 2]" 1
1370 1 78 LEU H 1 82 GLU HA 4.000 . 4.750 3.352 3.266 3.485 . 0 0 "[ . 1 . 2]" 1
1371 1 85 LEU HA 1 89 TRP HB3 5.000 . 6.000 6.072 6.059 6.086 0.086 3 0 "[ . 1 . 2]" 1
1372 1 85 LEU HA 1 89 TRP HE3 4.000 . 4.750 3.394 3.324 3.551 . 0 0 "[ . 1 . 2]" 1
1373 1 85 LEU HA 1 89 TRP HH2 5.000 . 6.000 5.525 5.459 5.611 . 0 0 "[ . 1 . 2]" 1
1374 1 85 LEU HG 1 89 TRP H 4.000 . 4.750 4.805 4.781 4.821 0.071 8 0 "[ . 1 . 2]" 1
1375 1 85 LEU HG 1 89 TRP HB3 4.000 . 4.750 3.815 3.765 3.920 . 0 0 "[ . 1 . 2]" 1
1376 1 85 LEU HG 1 89 TRP HE3 3.000 . 3.500 1.774 1.731 1.805 0.069 10 0 "[ . 1 . 2]" 1
1377 1 85 LEU HG 1 89 TRP HH2 5.000 . 6.000 5.618 5.336 5.711 . 0 0 "[ . 1 . 2]" 1
1378 1 85 LEU MD1 1 89 TRP H 5.000 . 6.000 5.044 4.833 5.653 . 0 0 "[ . 1 . 2]" 1
1379 1 85 LEU MD1 1 89 TRP HB3 5.000 . 6.000 3.305 3.111 3.895 . 0 0 "[ . 1 . 2]" 1
1380 1 85 LEU MD1 1 89 TRP HB2 4.000 . 4.750 3.166 2.971 3.764 . 0 0 "[ . 1 . 2]" 1
1381 1 85 LEU MD2 1 89 TRP H 5.000 . 6.000 2.772 2.633 3.231 . 0 0 "[ . 1 . 2]" 1
1382 1 85 LEU MD2 1 89 TRP HA 5.000 . 6.000 3.951 3.912 3.998 . 0 0 "[ . 1 . 2]" 1
1383 1 85 LEU MD2 1 89 TRP HB3 5.000 . 6.000 2.834 2.224 2.985 . 0 0 "[ . 1 . 2]" 1
1384 1 85 LEU MD2 1 89 TRP HB2 5.000 . 6.000 1.773 1.748 1.795 0.052 8 0 "[ . 1 . 2]" 1
1385 1 85 LEU MD2 1 89 TRP HD1 5.000 . 6.000 4.796 4.765 4.873 . 0 0 "[ . 1 . 2]" 1
1386 1 85 LEU MD2 1 89 TRP HE3 5.000 . 6.000 2.813 2.513 2.882 . 0 0 "[ . 1 . 2]" 1
1387 1 85 LEU MD2 1 89 TRP HH2 5.000 . 6.000 6.080 6.054 6.113 0.113 8 0 "[ . 1 . 2]" 1
1388 1 88 PHE HB3 1 92 TYR QD 5.000 . 6.000 6.046 6.010 6.075 0.075 17 0 "[ . 1 . 2]" 1
1389 1 93 ILE HA 1 97 ASN HD22 4.000 . 4.750 2.675 2.330 2.864 . 0 0 "[ . 1 . 2]" 1
1390 1 94 ASN H 1 98 THR H 5.000 . 6.000 6.043 5.925 6.091 0.091 14 0 "[ . 1 . 2]" 1
1391 1 104 THR MG 1 108 PRO HA 4.000 . 4.750 2.832 2.695 2.956 . 0 0 "[ . 1 . 2]" 1
1392 1 112 SER QB 1 116 HIS H 4.000 . 4.750 4.644 4.343 4.768 0.018 3 0 "[ . 1 . 2]" 1
1393 1 113 LEU H 1 117 THR HA 5.000 . 6.000 3.157 3.000 3.263 . 0 0 "[ . 1 . 2]" 1
1394 1 2 ALA MB 1 57 LEU MD1 5.000 . 6.000 3.225 2.731 4.130 . 0 0 "[ . 1 . 2]" 1
1395 1 2 ALA MB 1 59 HIS HD2 5.000 . 6.000 3.025 2.574 4.375 . 0 0 "[ . 1 . 2]" 1
1396 1 2 ALA MB 1 78 LEU MD2 4.000 . 4.750 4.695 4.290 4.764 0.014 18 0 "[ . 1 . 2]" 1
1397 1 2 ALA MB 1 79 ASP QB 5.000 . 6.000 2.087 1.868 2.424 . 0 0 "[ . 1 . 2]" 1
1398 1 2 ALA MB 1 81 VAL H 5.000 . 6.000 4.567 3.895 5.026 . 0 0 "[ . 1 . 2]" 1
1399 1 2 ALA MB 1 103 HIS HE1 5.000 . 6.000 5.881 5.661 6.006 0.006 11 0 "[ . 1 . 2]" 1
1400 1 3 PHE QD 1 55 MET QG 5.000 . 6.000 4.631 4.163 5.164 . 0 0 "[ . 1 . 2]" 1
1401 1 3 PHE QE 1 55 MET QG 5.000 . 6.000 5.842 5.414 6.047 0.047 19 0 "[ . 1 . 2]" 1
1402 1 3 PHE H 1 57 LEU MD2 5.000 . 6.000 5.272 5.015 5.505 . 0 0 "[ . 1 . 2]" 1
1403 1 3 PHE HA 1 57 LEU MD1 5.000 . 6.000 3.980 3.670 4.239 . 0 0 "[ . 1 . 2]" 1
1404 1 3 PHE HB3 1 57 LEU MD1 5.000 . 6.000 4.899 4.443 5.279 . 0 0 "[ . 1 . 2]" 1
1405 1 3 PHE HB3 1 57 LEU MD2 5.000 . 6.000 3.618 3.174 4.003 . 0 0 "[ . 1 . 2]" 1
1406 1 3 PHE HB2 1 57 LEU MD1 5.000 . 6.000 5.636 5.356 5.841 . 0 0 "[ . 1 . 2]" 1
1407 1 3 PHE HB2 1 57 LEU MD2 5.000 . 6.000 4.810 4.460 5.086 . 0 0 "[ . 1 . 2]" 1
1408 1 3 PHE HZ 1 57 LEU MD1 5.000 . 6.000 4.126 4.006 4.218 . 0 0 "[ . 1 . 2]" 1
1409 1 3 PHE QD 1 57 LEU HG 5.000 . 6.000 4.544 4.304 4.811 . 0 0 "[ . 1 . 2]" 1
1410 1 3 PHE QD 1 57 LEU MD1 5.000 . 6.000 2.369 2.071 2.622 . 0 0 "[ . 1 . 2]" 1
1411 1 3 PHE QD 1 57 LEU MD2 5.000 . 6.000 2.107 1.939 2.498 . 0 0 "[ . 1 . 2]" 1
1412 1 3 PHE QD 1 57 LEU QB 4.000 . 4.750 3.285 3.092 3.463 . 0 0 "[ . 1 . 2]" 1
1413 1 3 PHE QE 1 57 LEU MD1 4.000 . 4.750 1.909 1.809 2.008 . 0 0 "[ . 1 . 2]" 1
1414 1 3 PHE QE 1 57 LEU MD2 4.000 . 4.750 2.552 2.272 2.893 . 0 0 "[ . 1 . 2]" 1
1415 1 3 PHE QE 1 57 LEU QB 4.000 . 4.750 4.380 4.162 4.545 . 0 0 "[ . 1 . 2]" 1
1416 1 3 PHE QD 1 59 HIS HD2 4.000 . 4.750 4.524 4.199 4.759 0.009 12 0 "[ . 1 . 2]" 1
1417 1 3 PHE QE 1 59 HIS HB2 4.000 . 4.750 4.738 4.425 4.788 0.038 5 0 "[ . 1 . 2]" 1
1418 1 3 PHE HZ 1 78 LEU H 5.000 . 6.000 4.586 4.029 4.933 . 0 0 "[ . 1 . 2]" 1
1419 1 3 PHE HZ 1 78 LEU HA 5.000 . 6.000 5.281 4.967 5.574 . 0 0 "[ . 1 . 2]" 1
1420 1 3 PHE HZ 1 78 LEU HB3 4.000 . 4.750 2.332 2.098 2.627 . 0 0 "[ . 1 . 2]" 1
1421 1 3 PHE HZ 1 78 LEU HG 4.000 . 4.750 3.292 3.001 4.468 . 0 0 "[ . 1 . 2]" 1
1422 1 3 PHE HZ 1 78 LEU MD1 4.000 . 4.750 3.535 3.210 4.768 0.018 8 0 "[ . 1 . 2]" 1
1423 1 3 PHE QD 1 78 LEU HB3 5.000 . 6.000 5.195 4.697 5.541 . 0 0 "[ . 1 . 2]" 1
1424 1 3 PHE QD 1 78 LEU MD1 5.000 . 6.000 4.015 3.617 5.966 . 0 0 "[ . 1 . 2]" 1
1425 1 3 PHE QE 1 78 LEU H 5.000 . 6.000 5.424 5.023 5.739 . 0 0 "[ . 1 . 2]" 1
1426 1 3 PHE QE 1 78 LEU HB3 3.000 . 3.500 3.028 2.416 3.411 . 0 0 "[ . 1 . 2]" 1
1427 1 3 PHE QE 1 78 LEU MD1 4.000 . 4.750 2.578 2.083 4.301 . 0 0 "[ . 1 . 2]" 1
1428 1 3 PHE QE 1 79 ASP QB 4.000 . 4.750 4.210 3.816 4.360 . 0 0 "[ . 1 . 2]" 1
1429 1 3 PHE HZ 1 81 VAL H 5.000 . 6.000 4.962 4.559 5.210 . 0 0 "[ . 1 . 2]" 1
1430 1 3 PHE HZ 1 81 VAL HA 5.000 . 6.000 5.877 5.592 6.018 0.018 17 0 "[ . 1 . 2]" 1
1431 1 3 PHE HZ 1 81 VAL HB 3.000 . 3.500 2.870 2.588 3.026 . 0 0 "[ . 1 . 2]" 1
1432 1 3 PHE QD 1 81 VAL HB 5.000 . 6.000 5.335 4.842 5.519 . 0 0 "[ . 1 . 2]" 1
1433 1 3 PHE QE 1 81 VAL H 5.000 . 6.000 5.413 5.066 5.581 . 0 0 "[ . 1 . 2]" 1
1434 1 3 PHE QE 1 81 VAL HA 5.000 . 6.000 5.697 5.301 5.872 . 0 0 "[ . 1 . 2]" 1
1435 1 3 PHE QE 1 81 VAL HB 3.000 . 3.500 3.359 2.883 3.513 0.013 19 0 "[ . 1 . 2]" 1
1436 1 3 PHE QE 1 99 VAL HB 5.000 . 6.000 5.988 5.817 6.022 0.022 3 0 "[ . 1 . 2]" 1
1437 1 3 PHE HZ 1 101 LEU MD2 3.000 . 3.500 3.447 3.163 3.514 0.014 11 0 "[ . 1 . 2]" 1
1438 1 3 PHE QD 1 101 LEU MD1 5.000 . 6.000 4.158 3.846 4.458 . 0 0 "[ . 1 . 2]" 1
1439 1 3 PHE QD 1 101 LEU MD2 5.000 . 6.000 4.547 4.272 4.867 . 0 0 "[ . 1 . 2]" 1
1440 1 3 PHE QE 1 101 LEU MD1 4.000 . 4.750 3.729 3.543 3.881 . 0 0 "[ . 1 . 2]" 1
1441 1 3 PHE QE 1 101 LEU MD2 3.000 . 3.500 3.297 3.081 3.507 0.007 18 0 "[ . 1 . 2]" 1
1442 1 3 PHE HA 1 103 HIS HE1 5.000 . 6.000 5.722 5.306 6.006 0.006 19 0 "[ . 1 . 2]" 1
1443 1 3 PHE QD 1 103 HIS HE1 4.000 . 4.750 2.425 1.958 2.816 . 0 0 "[ . 1 . 2]" 1
1444 1 3 PHE QE 1 103 HIS HE1 4.000 . 4.750 3.020 2.614 3.476 . 0 0 "[ . 1 . 2]" 1
1445 1 3 PHE HZ 1 108 PRO QB 4.000 . 4.750 4.611 4.412 4.765 0.015 8 0 "[ . 1 . 2]" 1
1446 1 3 PHE HZ 1 108 PRO QG 4.000 . 4.750 3.192 3.031 3.344 . 0 0 "[ . 1 . 2]" 1
1447 1 3 PHE QE 1 108 PRO QG 3.000 . 3.500 3.124 2.627 3.387 . 0 0 "[ . 1 . 2]" 1
1448 1 3 PHE QE 1 108 PRO QD 5.000 . 6.000 4.323 3.831 4.667 . 0 0 "[ . 1 . 2]" 1
1449 1 4 ALA H 1 57 LEU MD1 5.000 . 6.000 5.855 5.520 6.000 . 0 0 "[ . 1 . 2]" 1
1450 1 4 ALA H 1 57 LEU MD2 5.000 . 6.000 5.981 5.844 6.022 0.022 11 0 "[ . 1 . 2]" 1
1451 1 6 ALA H 1 55 MET QG 5.000 . 6.000 5.394 4.837 6.017 0.017 5 0 "[ . 1 . 2]" 1
1452 1 6 ALA MB 1 55 MET H 5.000 . 6.000 5.712 5.583 5.860 . 0 0 "[ . 1 . 2]" 1
1453 1 6 ALA MB 1 55 MET HA 4.000 . 4.750 3.966 3.851 4.092 . 0 0 "[ . 1 . 2]" 1
1454 1 6 ALA MB 1 55 MET QG 4.000 . 4.750 3.056 2.676 3.536 . 0 0 "[ . 1 . 2]" 1
1455 1 6 ALA HA 1 56 MET H 4.000 . 4.750 4.719 4.487 4.762 0.012 20 0 "[ . 1 . 2]" 1
1456 1 6 ALA HA 1 57 LEU MD1 5.000 . 6.000 5.193 4.855 5.545 . 0 0 "[ . 1 . 2]" 1
1457 1 6 ALA HA 1 57 LEU MD2 5.000 . 6.000 4.307 4.075 4.562 . 0 0 "[ . 1 . 2]" 1
1458 1 6 ALA HA 1 57 LEU QB 3.000 . 3.500 2.957 2.647 3.321 . 0 0 "[ . 1 . 2]" 1
1459 1 6 ALA MB 1 57 LEU HA 5.000 . 6.000 3.376 3.278 3.589 . 0 0 "[ . 1 . 2]" 1
1460 1 6 ALA MB 1 57 LEU MD1 5.000 . 6.000 3.565 3.382 3.800 . 0 0 "[ . 1 . 2]" 1
1461 1 6 ALA MB 1 57 LEU MD2 3.000 . 3.500 2.361 2.109 2.595 . 0 0 "[ . 1 . 2]" 1
1462 1 7 GLN H 1 56 MET H 3.000 . 3.500 3.509 3.501 3.518 0.018 5 0 "[ . 1 . 2]" 1
1463 1 7 GLN H 1 56 MET HB2 4.000 . 4.750 3.125 2.919 3.406 . 0 0 "[ . 1 . 2]" 1
1464 1 7 GLN HA 1 56 MET HB2 4.000 . 4.750 4.542 4.296 4.759 0.009 12 0 "[ . 1 . 2]" 1
1465 1 7 GLN HA 1 56 MET ME 5.000 . 6.000 5.708 4.981 6.025 0.025 12 0 "[ . 1 . 2]" 1
1466 1 7 GLN HE21 1 56 MET ME 5.000 . 6.000 4.881 3.459 5.753 . 0 0 "[ . 1 . 2]" 1
1467 1 7 GLN QB 1 56 MET H 3.000 . 3.500 3.239 3.071 3.458 . 0 0 "[ . 1 . 2]" 1
1468 1 8 THR HA 1 53 ASN HA 5.000 . 6.000 5.932 5.690 6.019 0.019 11 0 "[ . 1 . 2]" 1
1469 1 8 THR HB 1 53 ASN HA 5.000 . 6.000 5.548 5.165 5.774 . 0 0 "[ . 1 . 2]" 1
1470 1 8 THR HB 1 53 ASN HB3 5.000 . 6.000 4.434 4.003 4.594 . 0 0 "[ . 1 . 2]" 1
1471 1 8 THR HB 1 53 ASN HB2 5.000 . 6.000 5.902 5.486 6.014 0.014 6 0 "[ . 1 . 2]" 1
1472 1 8 THR MG 1 53 ASN HA 5.000 . 6.000 4.244 4.044 4.457 . 0 0 "[ . 1 . 2]" 1
1473 1 8 THR MG 1 53 ASN HB3 4.000 . 4.750 2.895 2.609 3.039 . 0 0 "[ . 1 . 2]" 1
1474 1 8 THR MG 1 53 ASN HB2 5.000 . 6.000 3.782 3.553 4.065 . 0 0 "[ . 1 . 2]" 1
1475 1 8 THR MG 1 53 ASN HD22 5.000 . 6.000 6.010 6.002 6.024 0.024 18 0 "[ . 1 . 2]" 1
1476 1 8 THR HA 1 54 VAL H 5.000 . 6.000 4.928 4.802 5.049 . 0 0 "[ . 1 . 2]" 1
1477 1 8 THR HA 1 54 VAL HA 5.000 . 6.000 5.403 5.335 5.529 . 0 0 "[ . 1 . 2]" 1
1478 1 8 THR HA 1 55 MET H 5.000 . 6.000 4.821 4.739 4.995 . 0 0 "[ . 1 . 2]" 1
1479 1 8 THR HA 1 55 MET HA 4.000 . 4.750 2.512 2.363 2.705 . 0 0 "[ . 1 . 2]" 1
1480 1 8 THR HA 1 55 MET HB3 5.000 . 6.000 5.225 5.059 5.416 . 0 0 "[ . 1 . 2]" 1
1481 1 8 THR HA 1 55 MET QG 5.000 . 6.000 3.599 3.363 3.808 . 0 0 "[ . 1 . 2]" 1
1482 1 8 THR MG 1 55 MET H 5.000 . 6.000 4.168 3.885 4.405 . 0 0 "[ . 1 . 2]" 1
1483 1 8 THR MG 1 55 MET HA 4.000 . 4.750 2.299 1.970 2.709 . 0 0 "[ . 1 . 2]" 1
1484 1 8 THR MG 1 55 MET HB3 4.000 . 4.750 4.176 3.853 4.597 . 0 0 "[ . 1 . 2]" 1
1485 1 8 THR MG 1 55 MET QG 4.000 . 4.750 2.133 1.798 2.471 0.002 16 0 "[ . 1 . 2]" 1
1486 1 8 THR HA 1 56 MET H 4.000 . 4.750 3.150 3.062 3.337 . 0 0 "[ . 1 . 2]" 1
1487 1 8 THR HA 1 56 MET HB3 5.000 . 6.000 6.017 6.011 6.026 0.026 11 0 "[ . 1 . 2]" 1
1488 1 8 THR HA 1 56 MET HB2 5.000 . 6.000 4.829 4.359 5.465 . 0 0 "[ . 1 . 2]" 1
1489 1 8 THR HA 1 56 MET ME 4.000 . 4.750 2.786 1.939 3.351 . 0 0 "[ . 1 . 2]" 1
1490 1 8 THR HA 1 56 MET QG 4.000 . 4.750 3.966 2.993 4.764 0.014 5 0 "[ . 1 . 2]" 1
1491 1 8 THR MG 1 56 MET H 4.000 . 4.750 3.762 3.562 3.996 . 0 0 "[ . 1 . 2]" 1
1492 1 9 ARG H 1 53 ASN HA 4.000 . 4.750 4.158 4.030 4.314 . 0 0 "[ . 1 . 2]" 1
1493 1 9 ARG QG 1 53 ASN HA 5.000 . 6.000 5.387 4.666 5.787 . 0 0 "[ . 1 . 2]" 1
1494 1 9 ARG H 1 54 VAL H 3.000 . 3.500 3.176 3.112 3.280 . 0 0 "[ . 1 . 2]" 1
1495 1 9 ARG HE 1 54 VAL H 5.000 . 6.000 5.482 4.789 6.011 0.011 3 0 "[ . 1 . 2]" 1
1496 1 9 ARG QG 1 54 VAL H 4.000 . 4.750 4.246 3.238 4.804 0.054 9 0 "[ . 1 . 2]" 1
1497 1 9 ARG H 1 55 MET H 5.000 . 6.000 5.142 5.022 5.194 . 0 0 "[ . 1 . 2]" 1
1498 1 9 ARG HE 1 56 MET ME 4.000 . 4.750 3.184 1.972 4.420 . 0 0 "[ . 1 . 2]" 1
1499 1 10 LYS HA 1 52 ASN HB3 5.000 . 6.000 4.680 4.625 4.745 . 0 0 "[ . 1 . 2]" 1
1500 1 10 LYS HA 1 52 ASN HB2 5.000 . 6.000 5.129 4.861 5.340 . 0 0 "[ . 1 . 2]" 1
1501 1 10 LYS QG 1 52 ASN HB2 5.000 . 6.000 3.928 3.443 4.252 . 0 0 "[ . 1 . 2]" 1
1502 1 10 LYS QG 1 52 ASN HD21 4.000 . 4.750 4.773 4.757 4.794 0.044 7 0 "[ . 1 . 2]" 1
1503 1 10 LYS HA 1 53 ASN H 5.000 . 6.000 5.035 4.752 5.227 . 0 0 "[ . 1 . 2]" 1
1504 1 10 LYS HA 1 53 ASN HA 5.000 . 6.000 2.686 2.419 2.907 . 0 0 "[ . 1 . 2]" 1
1505 1 10 LYS HA 1 53 ASN HB3 5.000 . 6.000 4.640 4.356 4.951 . 0 0 "[ . 1 . 2]" 1
1506 1 10 LYS QG 1 53 ASN HA 5.000 . 6.000 3.641 3.507 3.782 . 0 0 "[ . 1 . 2]" 1
1507 1 10 LYS QD 1 53 ASN HA 5.000 . 6.000 5.701 5.494 5.928 . 0 0 "[ . 1 . 2]" 1
1508 1 10 LYS HA 1 54 VAL H 4.000 . 4.750 3.220 3.171 3.267 . 0 0 "[ . 1 . 2]" 1
1509 1 10 LYS QG 1 54 VAL H 4.000 . 4.750 4.785 4.765 4.810 0.060 10 0 "[ . 1 . 2]" 1
1510 1 11 LEU MD1 1 16 ARG HE 4.000 . 4.750 4.774 4.756 4.795 0.045 7 0 "[ . 1 . 2]" 1
1511 1 11 LEU MD1 1 16 ARG QD 5.000 . 6.000 5.057 4.347 5.486 . 0 0 "[ . 1 . 2]" 1
1512 1 11 LEU MD2 1 16 ARG H 4.000 . 4.750 3.939 3.445 4.478 . 0 0 "[ . 1 . 2]" 1
1513 1 11 LEU MD2 1 16 ARG HA 3.000 . 3.500 2.653 2.154 3.471 . 0 0 "[ . 1 . 2]" 1
1514 1 11 LEU MD2 1 16 ARG QD 4.000 . 4.750 3.117 1.940 3.995 . 0 0 "[ . 1 . 2]" 1
1515 1 11 LEU MD2 1 51 SER QB 5.000 . 6.000 3.836 3.119 4.757 . 0 0 "[ . 1 . 2]" 1
1516 1 11 LEU H 1 52 ASN HB3 4.000 . 4.750 3.694 3.481 3.903 . 0 0 "[ . 1 . 2]" 1
1517 1 11 LEU H 1 52 ASN HB2 4.000 . 4.750 4.610 4.282 4.753 0.003 15 0 "[ . 1 . 2]" 1
1518 1 11 LEU HB3 1 52 ASN H 5.000 . 6.000 5.189 4.719 5.473 . 0 0 "[ . 1 . 2]" 1
1519 1 11 LEU HB3 1 52 ASN HA 3.000 . 3.500 2.375 1.951 2.639 . 0 0 "[ . 1 . 2]" 1
1520 1 11 LEU HB3 1 52 ASN HB3 4.000 . 4.750 3.870 3.502 4.159 . 0 0 "[ . 1 . 2]" 1
1521 1 11 LEU HB2 1 52 ASN H 5.000 . 6.000 5.317 4.976 5.727 . 0 0 "[ . 1 . 2]" 1
1522 1 11 LEU HB2 1 52 ASN HA 3.000 . 3.500 3.038 2.816 3.377 . 0 0 "[ . 1 . 2]" 1
1523 1 11 LEU HB2 1 52 ASN HB3 4.000 . 4.750 4.749 4.545 4.789 0.039 7 0 "[ . 1 . 2]" 1
1524 1 11 LEU HB2 1 52 ASN HB2 5.000 . 6.000 5.492 5.386 5.610 . 0 0 "[ . 1 . 2]" 1
1525 1 11 LEU HG 1 52 ASN HA 4.000 . 4.750 4.406 4.070 4.673 . 0 0 "[ . 1 . 2]" 1
1526 1 11 LEU MD2 1 52 ASN H 5.000 . 6.000 4.815 4.594 5.237 . 0 0 "[ . 1 . 2]" 1
1527 1 11 LEU MD2 1 52 ASN HA 3.000 . 3.500 3.205 2.859 3.371 . 0 0 "[ . 1 . 2]" 1
1528 1 11 LEU MD2 1 52 ASN HB3 5.000 . 6.000 5.165 4.840 5.338 . 0 0 "[ . 1 . 2]" 1
1529 1 11 LEU H 1 53 ASN H 5.000 . 6.000 4.633 4.083 4.882 . 0 0 "[ . 1 . 2]" 1
1530 1 11 LEU H 1 53 ASN HA 4.000 . 4.750 3.403 3.144 3.608 . 0 0 "[ . 1 . 2]" 1
1531 1 11 LEU HB2 1 53 ASN HA 4.000 . 4.750 4.334 4.074 4.562 . 0 0 "[ . 1 . 2]" 1
1532 1 11 LEU MD2 1 53 ASN H 5.000 . 6.000 4.822 4.058 5.449 . 0 0 "[ . 1 . 2]" 1
1533 1 11 LEU H 1 54 VAL H 3.000 . 3.500 3.526 3.489 3.546 0.046 7 0 "[ . 1 . 2]" 1
1534 1 11 LEU MD2 1 55 MET H 5.000 . 6.000 6.016 5.985 6.048 0.048 7 0 "[ . 1 . 2]" 1
1535 1 11 LEU HA 1 111 ILE MD 5.000 . 6.000 4.645 4.193 5.520 . 0 0 "[ . 1 . 2]" 1
1536 1 14 GLU HA 1 119 GLN HE22 5.000 . 6.000 5.005 3.850 6.025 0.025 11 0 "[ . 1 . 2]" 1
1537 1 14 GLU QB 1 119 GLN HE21 5.000 . 6.000 5.014 3.773 5.973 . 0 0 "[ . 1 . 2]" 1
1538 1 14 GLU QB 1 119 GLN HE22 5.000 . 6.000 4.010 2.210 5.307 . 0 0 "[ . 1 . 2]" 1
1539 1 14 GLU QG 1 119 GLN HE21 5.000 . 6.000 4.763 3.543 5.680 . 0 0 "[ . 1 . 2]" 1
1540 1 15 GLU HA 1 119 GLN HE21 5.000 . 6.000 4.045 3.470 5.000 . 0 0 "[ . 1 . 2]" 1
1541 1 15 GLU HA 1 119 GLN HE22 5.000 . 6.000 4.030 2.643 5.435 . 0 0 "[ . 1 . 2]" 1
1542 1 15 GLU QG 1 119 GLN HE22 5.000 . 6.000 4.763 3.436 6.065 0.065 7 0 "[ . 1 . 2]" 1
1543 1 16 ARG QD 1 47 LEU QD 4.000 . 4.750 3.479 2.557 4.180 . 0 0 "[ . 1 . 2]" 1
1544 1 16 ARG QG 1 51 SER QB 4.000 . 4.750 3.801 3.034 4.484 . 0 0 "[ . 1 . 2]" 1
1545 1 16 ARG HE 1 52 ASN HD21 3.000 . 3.500 3.525 3.513 3.540 0.040 1 0 "[ . 1 . 2]" 1
1546 1 18 ALA MB 1 118 LEU H 5.000 . 6.000 5.779 5.337 6.144 0.144 11 0 "[ . 1 . 2]" 1
1547 1 18 ALA MB 1 118 LEU MD2 5.000 . 6.000 4.951 4.674 5.226 . 0 0 "[ . 1 . 2]" 1
1548 1 18 ALA MB 1 119 GLN H 5.000 . 6.000 4.145 3.725 4.869 . 0 0 "[ . 1 . 2]" 1
1549 1 18 ALA MB 1 119 GLN HA 4.000 . 4.750 3.825 3.128 4.062 . 0 0 "[ . 1 . 2]" 1
1550 1 18 ALA MB 1 119 GLN HE21 5.000 . 6.000 1.823 1.786 2.039 0.014 14 0 "[ . 1 . 2]" 1
1551 1 18 ALA MB 1 119 GLN HE22 5.000 . 6.000 2.775 2.514 3.095 . 0 0 "[ . 1 . 2]" 1
1552 1 18 ALA MB 1 119 GLN QB 4.000 . 4.750 2.022 1.793 3.477 0.007 12 0 "[ . 1 . 2]" 1
1553 1 18 ALA MB 1 119 GLN QG 4.000 . 4.750 1.867 1.719 2.077 0.081 11 0 "[ . 1 . 2]" 1
1554 1 19 VAL H 1 118 LEU MD2 5.000 . 6.000 6.023 6.002 6.043 0.043 1 0 "[ . 1 . 2]" 1
1555 1 19 VAL HA 1 118 LEU MD2 5.000 . 6.000 4.066 3.936 4.214 . 0 0 "[ . 1 . 2]" 1
1556 1 19 VAL H 1 119 GLN QB 4.000 . 4.750 4.753 4.522 4.840 0.090 11 0 "[ . 1 . 2]" 1
1557 1 20 GLU HA 1 47 LEU QD 4.000 . 4.750 2.644 2.103 3.676 . 0 0 "[ . 1 . 2]" 1
1558 1 20 GLU QB 1 47 LEU QD 3.000 . 3.500 2.559 1.900 3.486 . 0 0 "[ . 1 . 2]" 1
1559 1 20 GLU QG 1 47 LEU QD 4.000 . 4.750 3.365 1.782 4.390 0.018 4 0 "[ . 1 . 2]" 1
1560 1 21 ASN QB 1 119 GLN HE21 5.000 . 6.000 6.030 6.003 6.057 0.057 14 0 "[ . 1 . 2]" 1
1561 1 22 TYR QE 1 45 LEU MD1 5.000 . 6.000 5.183 4.519 5.904 . 0 0 "[ . 1 . 2]" 1
1562 1 22 TYR QD 1 84 HIS HD2 4.000 . 4.750 4.741 4.478 4.821 0.071 12 0 "[ . 1 . 2]" 1
1563 1 22 TYR QE 1 84 HIS HD2 3.000 . 3.500 2.588 2.451 2.850 . 0 0 "[ . 1 . 2]" 1
1564 1 22 TYR QE 1 84 HIS HE1 5.000 . 6.000 4.625 4.246 4.820 . 0 0 "[ . 1 . 2]" 1
1565 1 22 TYR QE 1 85 LEU HA 5.000 . 6.000 5.408 4.986 5.785 . 0 0 "[ . 1 . 2]" 1
1566 1 22 TYR QE 1 86 PRO HA 4.000 . 4.750 3.464 3.119 3.720 . 0 0 "[ . 1 . 2]" 1
1567 1 22 TYR QE 1 86 PRO HB2 4.000 . 4.750 4.134 3.652 4.399 . 0 0 "[ . 1 . 2]" 1
1568 1 22 TYR QE 1 86 PRO QG 4.000 . 4.750 3.737 3.494 4.070 . 0 0 "[ . 1 . 2]" 1
1569 1 22 TYR QE 1 86 PRO QD 5.000 . 6.000 3.129 2.928 3.564 . 0 0 "[ . 1 . 2]" 1
1570 1 22 TYR QD 1 87 PRO HD2 5.000 . 6.000 5.277 4.801 5.572 . 0 0 "[ . 1 . 2]" 1
1571 1 22 TYR QE 1 87 PRO HG3 4.000 . 4.750 4.626 4.276 4.768 0.018 17 0 "[ . 1 . 2]" 1
1572 1 22 TYR QE 1 87 PRO HG2 4.000 . 4.750 4.185 3.908 4.374 . 0 0 "[ . 1 . 2]" 1
1573 1 22 TYR QE 1 87 PRO HD3 4.000 . 4.750 4.432 3.952 4.759 0.009 1 0 "[ . 1 . 2]" 1
1574 1 22 TYR QE 1 87 PRO HD2 4.000 . 4.750 3.080 2.523 3.498 . 0 0 "[ . 1 . 2]" 1
1575 1 22 TYR QE 1 88 PHE QD 4.000 . 4.750 4.681 4.465 4.799 0.049 11 0 "[ . 1 . 2]" 1
1576 1 22 TYR QE 1 88 PHE QE 2.500 . 2.800 2.525 2.196 2.769 . 0 0 "[ . 1 . 2]" 1
1577 1 22 TYR HB3 1 109 LEU MD1 5.000 . 6.000 4.618 4.446 5.048 . 0 0 "[ . 1 . 2]" 1
1578 1 22 TYR QD 1 109 LEU MD1 5.000 . 6.000 2.929 2.670 3.254 . 0 0 "[ . 1 . 2]" 1
1579 1 22 TYR QD 1 109 LEU MD2 3.000 . 3.500 3.512 3.386 3.545 0.045 7 0 "[ . 1 . 2]" 1
1580 1 22 TYR QE 1 109 LEU HA 5.000 . 6.000 5.558 5.043 6.009 0.009 14 0 "[ . 1 . 2]" 1
1581 1 22 TYR QE 1 109 LEU MD1 3.000 . 3.500 2.868 2.358 3.397 . 0 0 "[ . 1 . 2]" 1
1582 1 22 TYR QE 1 109 LEU MD2 3.000 . 3.500 2.534 2.037 3.001 . 0 0 "[ . 1 . 2]" 1
1583 1 22 TYR QE 1 110 VAL H 5.000 . 6.000 5.398 4.937 5.792 . 0 0 "[ . 1 . 2]" 1
1584 1 22 TYR H 1 118 LEU MD2 5.000 . 6.000 5.224 5.072 5.505 . 0 0 "[ . 1 . 2]" 1
1585 1 22 TYR HA 1 118 LEU MD2 5.000 . 6.000 4.869 4.570 5.050 . 0 0 "[ . 1 . 2]" 1
1586 1 22 TYR HB3 1 118 LEU MD1 5.000 . 6.000 3.385 3.066 4.013 . 0 0 "[ . 1 . 2]" 1
1587 1 22 TYR HB3 1 118 LEU MD2 5.000 . 6.000 3.402 3.195 3.700 . 0 0 "[ . 1 . 2]" 1
1588 1 22 TYR HB2 1 118 LEU HB3 5.000 . 6.000 4.195 3.853 4.648 . 0 0 "[ . 1 . 2]" 1
1589 1 22 TYR HB2 1 118 LEU MD1 5.000 . 6.000 4.092 3.863 4.525 . 0 0 "[ . 1 . 2]" 1
1590 1 22 TYR HB2 1 118 LEU MD2 5.000 . 6.000 3.127 2.823 3.367 . 0 0 "[ . 1 . 2]" 1
1591 1 22 TYR QE 1 118 LEU MD2 5.000 . 6.000 2.598 2.266 2.985 . 0 0 "[ . 1 . 2]" 1
1592 1 22 TYR QD 1 119 GLN QG 5.000 . 6.000 6.056 6.017 6.157 0.157 11 0 "[ . 1 . 2]" 1
1593 1 23 LEU HA 1 45 LEU MD1 5.000 . 6.000 4.846 3.968 5.927 . 0 0 "[ . 1 . 2]" 1
1594 1 23 LEU HA 1 84 HIS HD2 5.000 . 6.000 6.084 6.041 6.105 0.105 5 0 "[ . 1 . 2]" 1
1595 1 26 LEU MD1 1 44 SER HA 5.000 . 6.000 4.511 4.166 4.904 . 0 0 "[ . 1 . 2]" 1
1596 1 26 LEU MD2 1 44 SER HA 5.000 . 6.000 5.835 4.979 6.020 0.020 9 0 "[ . 1 . 2]" 1
1597 1 26 LEU MD1 1 45 LEU H 5.000 . 6.000 5.043 4.427 5.254 . 0 0 "[ . 1 . 2]" 1
1598 1 26 LEU MD1 1 45 LEU MD1 4.000 . 4.750 4.296 3.653 4.774 0.024 12 0 "[ . 1 . 2]" 1
1599 1 26 LEU HG 1 84 HIS HE1 5.000 . 6.000 4.944 4.570 5.218 . 0 0 "[ . 1 . 2]" 1
1600 1 26 LEU MD1 1 84 HIS HD2 5.000 . 6.000 3.767 3.437 3.892 . 0 0 "[ . 1 . 2]" 1
1601 1 26 LEU MD1 1 84 HIS HE1 4.000 . 4.750 2.243 1.824 2.746 . 0 0 "[ . 1 . 2]" 1
1602 1 26 LEU MD2 1 84 HIS HD2 5.000 . 6.000 5.424 4.531 5.907 . 0 0 "[ . 1 . 2]" 1
1603 1 26 LEU MD2 1 84 HIS HE1 4.000 . 4.750 3.365 2.522 3.946 . 0 0 "[ . 1 . 2]" 1
1604 1 27 THR MG 1 44 SER HA 5.000 . 6.000 4.176 3.636 5.537 . 0 0 "[ . 1 . 2]" 1
1605 1 27 THR MG 1 44 SER QB 5.000 . 6.000 2.208 1.798 3.437 0.002 1 0 "[ . 1 . 2]" 1
1606 1 27 THR MG 1 45 LEU H 5.000 . 6.000 5.252 4.439 6.005 0.005 5 0 "[ . 1 . 2]" 1
1607 1 40 ALA MB 1 75 ARG QH 5.000 . 6.000 5.329 3.742 6.011 0.011 17 0 "[ . 1 . 2]" 1
1608 1 44 SER QB 1 84 HIS HE1 4.000 . 4.750 4.764 4.749 4.777 0.027 3 0 "[ . 1 . 2]" 1
1609 1 45 LEU QB 1 83 VAL HA 5.000 . 6.000 6.048 6.027 6.075 0.075 4 0 "[ . 1 . 2]" 1
1610 1 45 LEU H 1 84 HIS HE1 4.000 . 4.750 4.791 4.767 4.815 0.065 7 0 "[ . 1 . 2]" 1
1611 1 45 LEU MD1 1 84 HIS H 5.000 . 6.000 4.744 3.316 5.763 . 0 0 "[ . 1 . 2]" 1
1612 1 45 LEU MD1 1 84 HIS HB3 5.000 . 6.000 3.311 2.142 4.095 . 0 0 "[ . 1 . 2]" 1
1613 1 45 LEU MD1 1 84 HIS HB2 5.000 . 6.000 2.990 1.792 4.305 0.008 4 0 "[ . 1 . 2]" 1
1614 1 45 LEU MD1 1 84 HIS HD2 5.000 . 6.000 4.582 3.915 5.082 . 0 0 "[ . 1 . 2]" 1
1615 1 45 LEU MD1 1 84 HIS HE1 5.000 . 6.000 4.172 3.269 5.148 . 0 0 "[ . 1 . 2]" 1
1616 1 45 LEU MD2 1 84 HIS HB3 4.000 . 4.750 2.776 1.911 4.558 . 0 0 "[ . 1 . 2]" 1
1617 1 45 LEU MD2 1 84 HIS HB2 4.000 . 4.750 2.575 1.780 4.529 0.020 7 0 "[ . 1 . 2]" 1
1618 1 45 LEU MD2 1 84 HIS HD2 5.000 . 6.000 4.344 4.007 5.247 . 0 0 "[ . 1 . 2]" 1
1619 1 45 LEU QB 1 84 HIS H 5.000 . 6.000 5.787 5.700 5.896 . 0 0 "[ . 1 . 2]" 1
1620 1 45 LEU QB 1 84 HIS HB2 4.000 . 4.750 4.349 4.211 4.472 . 0 0 "[ . 1 . 2]" 1
1621 1 45 LEU MD1 1 104 THR HB 5.000 . 6.000 4.127 2.902 5.220 . 0 0 "[ . 1 . 2]" 1
1622 1 45 LEU MD1 1 104 THR MG 4.000 . 4.750 2.602 1.784 3.580 0.016 3 0 "[ . 1 . 2]" 1
1623 1 45 LEU MD2 1 104 THR HB 5.000 . 6.000 4.126 3.572 5.319 . 0 0 "[ . 1 . 2]" 1
1624 1 45 LEU MD2 1 104 THR HG1 5.000 . 6.000 3.958 2.904 4.917 . 0 0 "[ . 1 . 2]" 1
1625 1 45 LEU HA 1 105 ASP H 4.000 . 4.750 4.756 4.625 4.802 0.052 18 0 "[ . 1 . 2]" 1
1626 1 45 LEU MD1 1 105 ASP H 5.000 . 6.000 5.453 4.570 6.073 0.073 20 0 "[ . 1 . 2]" 1
1627 1 45 LEU HA 1 106 SER H 4.000 . 4.750 4.061 3.641 4.388 . 0 0 "[ . 1 . 2]" 1
1628 1 45 LEU HA 1 106 SER HG 5.000 . 6.000 2.425 2.034 2.766 . 0 0 "[ . 1 . 2]" 1
1629 1 45 LEU HG 1 106 SER HG 4.000 . 4.750 4.409 4.121 4.766 0.016 3 0 "[ . 1 . 2]" 1
1630 1 45 LEU MD1 1 106 SER H 5.000 . 6.000 5.185 4.505 5.584 . 0 0 "[ . 1 . 2]" 1
1631 1 45 LEU MD1 1 106 SER HG 5.000 . 6.000 4.036 3.291 4.572 . 0 0 "[ . 1 . 2]" 1
1632 1 45 LEU MD2 1 106 SER QB 5.000 . 6.000 4.869 4.106 5.674 . 0 0 "[ . 1 . 2]" 1
1633 1 45 LEU QB 1 106 SER H 4.000 . 4.750 3.244 3.140 3.371 . 0 0 "[ . 1 . 2]" 1
1634 1 45 LEU QB 1 106 SER HG 4.000 . 4.750 1.927 1.843 2.059 . 0 0 "[ . 1 . 2]" 1
1635 1 45 LEU MD1 1 107 LEU H 5.000 . 6.000 4.303 3.063 4.994 . 0 0 "[ . 1 . 2]" 1
1636 1 45 LEU QB 1 107 LEU H 3.000 . 3.500 2.420 2.248 2.561 . 0 0 "[ . 1 . 2]" 1
1637 1 45 LEU H 1 109 LEU HG 5.000 . 6.000 6.000 5.833 6.036 0.036 9 0 "[ . 1 . 2]" 1
1638 1 45 LEU MD1 1 109 LEU H 5.000 . 6.000 4.522 3.140 5.554 . 0 0 "[ . 1 . 2]" 1
1639 1 45 LEU MD1 1 109 LEU MD1 5.000 . 6.000 4.259 3.760 5.220 . 0 0 "[ . 1 . 2]" 1
1640 1 45 LEU MD2 1 109 LEU H 5.000 . 6.000 3.892 2.795 5.624 . 0 0 "[ . 1 . 2]" 1
1641 1 46 ALA H 1 104 THR HB 3.000 . 3.500 3.464 2.999 3.517 0.017 11 0 "[ . 1 . 2]" 1
1642 1 46 ALA H 1 104 THR MG 5.000 . 6.000 4.280 3.967 4.409 . 0 0 "[ . 1 . 2]" 1
1643 1 46 ALA H 1 105 ASP H 3.000 . 3.500 3.195 2.756 3.507 0.007 3 0 "[ . 1 . 2]" 1
1644 1 46 ALA H 1 105 ASP QB 5.000 . 6.000 3.053 2.886 3.450 . 0 0 "[ . 1 . 2]" 1
1645 1 46 ALA MB 1 105 ASP H 5.000 . 6.000 3.325 3.041 3.518 . 0 0 "[ . 1 . 2]" 1
1646 1 46 ALA MB 1 105 ASP HA 5.000 . 6.000 4.624 4.266 5.105 . 0 0 "[ . 1 . 2]" 1
1647 1 46 ALA MB 1 105 ASP QB 5.000 . 6.000 2.123 1.799 2.614 0.001 19 0 "[ . 1 . 2]" 1
1648 1 46 ALA H 1 106 SER H 4.000 . 4.750 3.480 2.702 4.123 . 0 0 "[ . 1 . 2]" 1
1649 1 46 ALA H 1 106 SER HG 5.000 . 6.000 2.905 2.450 3.337 . 0 0 "[ . 1 . 2]" 1
1650 1 46 ALA H 1 106 SER QB 5.000 . 6.000 3.763 3.224 4.230 . 0 0 "[ . 1 . 2]" 1
1651 1 46 ALA MB 1 106 SER H 5.000 . 6.000 4.389 3.725 4.898 . 0 0 "[ . 1 . 2]" 1
1652 1 46 ALA MB 1 106 SER QB 5.000 . 6.000 4.535 3.702 5.052 . 0 0 "[ . 1 . 2]" 1
1653 1 47 LEU HA 1 104 THR MG 4.000 . 4.750 3.390 2.936 3.855 . 0 0 "[ . 1 . 2]" 1
1654 1 47 LEU HA 1 105 ASP H 5.000 . 6.000 3.925 3.845 4.026 . 0 0 "[ . 1 . 2]" 1
1655 1 47 LEU HA 1 106 SER H 5.000 . 6.000 6.018 5.973 6.048 0.048 19 0 "[ . 1 . 2]" 1
1656 1 48 ASN H 1 104 THR HA 4.000 . 4.750 2.928 2.367 3.350 . 0 0 "[ . 1 . 2]" 1
1657 1 48 ASN H 1 104 THR HB 5.000 . 6.000 4.041 3.477 4.528 . 0 0 "[ . 1 . 2]" 1
1658 1 48 ASN H 1 104 THR MG 4.000 . 4.750 4.374 4.173 4.656 . 0 0 "[ . 1 . 2]" 1
1659 1 48 ASN HB2 1 104 THR HA 5.000 . 6.000 2.890 2.616 3.537 . 0 0 "[ . 1 . 2]" 1
1660 1 48 ASN HD21 1 104 THR HA 5.000 . 6.000 4.771 4.212 5.173 . 0 0 "[ . 1 . 2]" 1
1661 1 48 ASN H 1 105 ASP H 4.000 . 4.750 4.309 3.681 4.754 0.004 4 0 "[ . 1 . 2]" 1
1662 1 48 ASN HB3 1 105 ASP HA 5.000 . 6.000 4.531 3.906 5.123 . 0 0 "[ . 1 . 2]" 1
1663 1 48 ASN HB2 1 105 ASP H 5.000 . 6.000 3.751 3.185 4.528 . 0 0 "[ . 1 . 2]" 1
1664 1 48 ASN HB2 1 105 ASP HA 4.000 . 4.750 3.716 3.132 4.219 . 0 0 "[ . 1 . 2]" 1
1665 1 48 ASN HD21 1 105 ASP H 4.000 . 4.750 4.420 3.888 4.756 0.006 13 0 "[ . 1 . 2]" 1
1666 1 48 ASN HD21 1 105 ASP HA 4.000 . 4.750 2.514 2.206 2.694 . 0 0 "[ . 1 . 2]" 1
1667 1 48 ASN HD21 1 105 ASP QB 5.000 . 6.000 3.502 2.997 3.923 . 0 0 "[ . 1 . 2]" 1
1668 1 48 ASN HD22 1 105 ASP H 5.000 . 6.000 4.289 3.926 4.716 . 0 0 "[ . 1 . 2]" 1
1669 1 48 ASN HD22 1 105 ASP HA 3.000 . 3.500 2.386 2.196 2.688 . 0 0 "[ . 1 . 2]" 1
1670 1 50 GLU H 1 103 HIS H 5.000 . 6.000 6.066 6.020 6.106 0.106 16 0 "[ . 1 . 2]" 1
1671 1 50 GLU QB 1 103 HIS H 5.000 . 6.000 3.124 2.903 3.348 . 0 0 "[ . 1 . 2]" 1
1672 1 50 GLU QB 1 103 HIS HB3 4.000 . 4.750 3.801 3.232 4.328 . 0 0 "[ . 1 . 2]" 1
1673 1 50 GLU QB 1 103 HIS HB2 3.000 . 3.500 2.431 1.893 2.967 . 0 0 "[ . 1 . 2]" 1
1674 1 50 GLU QB 1 103 HIS HD2 4.000 . 4.750 4.219 3.836 4.681 . 0 0 "[ . 1 . 2]" 1
1675 1 51 SER HA 1 102 ILE HB 4.000 . 4.750 2.397 1.977 3.182 . 0 0 "[ . 1 . 2]" 1
1676 1 51 SER HA 1 102 ILE MD 5.000 . 6.000 3.159 2.508 3.834 . 0 0 "[ . 1 . 2]" 1
1677 1 51 SER QB 1 102 ILE MD 4.000 . 4.750 3.524 2.789 4.256 . 0 0 "[ . 1 . 2]" 1
1678 1 51 SER H 1 103 HIS H 5.000 . 6.000 5.241 5.100 5.496 . 0 0 "[ . 1 . 2]" 1
1679 1 52 ASN H 1 102 ILE MD 5.000 . 6.000 5.366 4.650 6.019 0.019 10 0 "[ . 1 . 2]" 1
1680 1 53 ASN H 1 102 ILE HB 5.000 . 6.000 5.240 4.803 6.007 0.007 2 0 "[ . 1 . 2]" 1
1681 1 54 VAL HA 1 101 LEU H 4.000 . 4.750 4.729 4.564 4.782 0.032 18 0 "[ . 1 . 2]" 1
1682 1 54 VAL HA 1 102 ILE MD 4.000 . 4.750 4.409 3.551 4.759 0.009 11 0 "[ . 1 . 2]" 1
1683 1 54 VAL HA 1 103 HIS H 5.000 . 6.000 4.772 4.490 5.116 . 0 0 "[ . 1 . 2]" 1
1684 1 54 VAL HA 1 103 HIS HD2 5.000 . 6.000 4.723 4.433 4.994 . 0 0 "[ . 1 . 2]" 1
1685 1 55 MET H 1 100 GLU HA 5.000 . 6.000 4.394 4.260 4.628 . 0 0 "[ . 1 . 2]" 1
1686 1 55 MET HB3 1 100 GLU HA 5.000 . 6.000 4.913 4.839 4.988 . 0 0 "[ . 1 . 2]" 1
1687 1 55 MET H 1 101 LEU H 3.000 . 3.500 3.036 2.937 3.213 . 0 0 "[ . 1 . 2]" 1
1688 1 55 MET H 1 101 LEU HA 5.000 . 6.000 4.344 4.191 4.509 . 0 0 "[ . 1 . 2]" 1
1689 1 55 MET H 1 101 LEU HG 4.000 . 4.750 4.452 4.244 4.637 . 0 0 "[ . 1 . 2]" 1
1690 1 55 MET H 1 101 LEU MD1 5.000 . 6.000 3.445 3.188 3.905 . 0 0 "[ . 1 . 2]" 1
1691 1 55 MET H 1 101 LEU MD2 5.000 . 6.000 5.591 5.542 5.638 . 0 0 "[ . 1 . 2]" 1
1692 1 55 MET H 1 101 LEU QB 4.000 . 4.750 4.762 4.709 4.797 0.047 20 0 "[ . 1 . 2]" 1
1693 1 55 MET HB3 1 101 LEU MD1 4.000 . 4.750 2.633 2.376 2.923 . 0 0 "[ . 1 . 2]" 1
1694 1 55 MET HB3 1 101 LEU MD2 4.000 . 4.750 4.745 4.666 4.771 0.021 9 0 "[ . 1 . 2]" 1
1695 1 55 MET QG 1 101 LEU MD1 5.000 . 6.000 3.708 3.589 3.872 . 0 0 "[ . 1 . 2]" 1
1696 1 55 MET H 1 102 ILE H 5.000 . 6.000 4.492 4.351 4.613 . 0 0 "[ . 1 . 2]" 1
1697 1 55 MET H 1 102 ILE HA 4.000 . 4.750 3.079 2.917 3.219 . 0 0 "[ . 1 . 2]" 1
1698 1 55 MET H 1 102 ILE HB 5.000 . 6.000 5.658 5.462 5.856 . 0 0 "[ . 1 . 2]" 1
1699 1 55 MET H 1 102 ILE MD 5.000 . 6.000 5.497 4.576 5.889 . 0 0 "[ . 1 . 2]" 1
1700 1 55 MET H 1 103 HIS HD2 5.000 . 6.000 4.258 3.981 4.438 . 0 0 "[ . 1 . 2]" 1
1701 1 55 MET HB3 1 103 HIS HD2 4.000 . 4.750 4.718 4.561 4.769 0.019 12 0 "[ . 1 . 2]" 1
1702 1 55 MET HB3 1 103 HIS HE1 4.000 . 4.750 4.782 4.764 4.794 0.044 9 0 "[ . 1 . 2]" 1
1703 1 55 MET QG 1 103 HIS H 5.000 . 6.000 5.501 4.588 6.007 0.007 4 0 "[ . 1 . 2]" 1
1704 1 56 MET HA 1 99 VAL H 5.000 . 6.000 4.892 4.785 4.951 . 0 0 "[ . 1 . 2]" 1
1705 1 56 MET HA 1 100 GLU H 5.000 . 6.000 4.673 4.577 4.746 . 0 0 "[ . 1 . 2]" 1
1706 1 56 MET HA 1 100 GLU HA 4.000 . 4.750 2.227 2.135 2.334 . 0 0 "[ . 1 . 2]" 1
1707 1 56 MET HA 1 100 GLU HB3 4.000 . 4.750 3.763 3.591 3.979 . 0 0 "[ . 1 . 2]" 1
1708 1 56 MET HA 1 100 GLU HB2 4.000 . 4.750 4.748 4.683 4.770 0.020 3 0 "[ . 1 . 2]" 1
1709 1 56 MET HB2 1 100 GLU HA 5.000 . 6.000 5.016 4.852 5.200 . 0 0 "[ . 1 . 2]" 1
1710 1 56 MET QG 1 100 GLU HA 5.000 . 6.000 3.557 2.694 4.567 . 0 0 "[ . 1 . 2]" 1
1711 1 56 MET HA 1 101 LEU H 4.000 . 4.750 3.635 3.547 3.758 . 0 0 "[ . 1 . 2]" 1
1712 1 56 MET ME 1 101 LEU HA 5.000 . 6.000 5.839 5.149 6.010 0.010 8 0 "[ . 1 . 2]" 1
1713 1 57 LEU MD1 1 78 LEU MD1 5.000 . 6.000 2.012 1.825 3.452 . 0 0 "[ . 1 . 2]" 1
1714 1 57 LEU MD1 1 78 LEU MD2 5.000 . 6.000 2.104 1.771 2.372 0.029 18 0 "[ . 1 . 2]" 1
1715 1 57 LEU MD2 1 78 LEU MD1 4.000 . 4.750 3.709 3.556 4.712 . 0 0 "[ . 1 . 2]" 1
1716 1 57 LEU MD1 1 97 ASN H 5.000 . 6.000 6.037 6.016 6.050 0.050 19 0 "[ . 1 . 2]" 1
1717 1 57 LEU H 1 98 THR HA 4.000 . 4.750 4.543 4.424 4.635 . 0 0 "[ . 1 . 2]" 1
1718 1 57 LEU H 1 98 THR MG 5.000 . 6.000 3.976 3.813 4.188 . 0 0 "[ . 1 . 2]" 1
1719 1 57 LEU H 1 99 VAL H 3.000 . 3.500 3.184 3.130 3.217 . 0 0 "[ . 1 . 2]" 1
1720 1 57 LEU H 1 99 VAL HB 4.000 . 4.750 4.335 4.251 4.451 . 0 0 "[ . 1 . 2]" 1
1721 1 57 LEU HA 1 99 VAL H 4.000 . 4.750 4.774 4.756 4.793 0.043 13 0 "[ . 1 . 2]" 1
1722 1 57 LEU HG 1 99 VAL H 5.000 . 6.000 3.504 3.430 3.604 . 0 0 "[ . 1 . 2]" 1
1723 1 57 LEU MD1 1 99 VAL H 5.000 . 6.000 4.396 4.292 4.455 . 0 0 "[ . 1 . 2]" 1
1724 1 57 LEU MD1 1 99 VAL HB 5.000 . 6.000 3.928 3.779 4.161 . 0 0 "[ . 1 . 2]" 1
1725 1 57 LEU MD2 1 99 VAL HB 4.000 . 4.750 3.656 3.601 3.743 . 0 0 "[ . 1 . 2]" 1
1726 1 57 LEU QB 1 99 VAL H 5.000 . 6.000 4.864 4.836 4.913 . 0 0 "[ . 1 . 2]" 1
1727 1 57 LEU H 1 100 GLU HA 4.000 . 4.750 3.465 3.420 3.498 . 0 0 "[ . 1 . 2]" 1
1728 1 57 LEU MD1 1 100 GLU HA 5.000 . 6.000 5.894 5.828 6.002 0.002 18 0 "[ . 1 . 2]" 1
1729 1 57 LEU MD2 1 100 GLU HA 5.000 . 6.000 3.857 3.708 3.986 . 0 0 "[ . 1 . 2]" 1
1730 1 57 LEU H 1 101 LEU H 4.000 . 4.750 4.773 4.750 4.789 0.039 17 0 "[ . 1 . 2]" 1
1731 1 57 LEU HG 1 101 LEU H 5.000 . 6.000 5.240 5.157 5.373 . 0 0 "[ . 1 . 2]" 1
1732 1 57 LEU HG 1 101 LEU MD1 5.000 . 6.000 4.955 4.797 5.162 . 0 0 "[ . 1 . 2]" 1
1733 1 57 LEU MD1 1 101 LEU H 5.000 . 6.000 5.820 5.734 5.959 . 0 0 "[ . 1 . 2]" 1
1734 1 57 LEU MD1 1 101 LEU HG 5.000 . 6.000 4.569 4.443 4.772 . 0 0 "[ . 1 . 2]" 1
1735 1 57 LEU MD2 1 101 LEU MD1 5.000 . 6.000 2.757 2.580 2.958 . 0 0 "[ . 1 . 2]" 1
1736 1 58 THR HA 1 96 GLU QG 5.000 . 6.000 4.292 3.932 4.881 . 0 0 "[ . 1 . 2]" 1
1737 1 58 THR MG 1 96 GLU HA 5.000 . 6.000 5.625 5.382 6.002 0.002 18 0 "[ . 1 . 2]" 1
1738 1 58 THR MG 1 96 GLU QB 4.000 . 4.750 4.705 4.531 4.766 0.016 13 0 "[ . 1 . 2]" 1
1739 1 58 THR MG 1 96 GLU QG 3.000 . 3.500 3.213 2.991 3.487 . 0 0 "[ . 1 . 2]" 1
1740 1 58 THR MG 1 97 ASN H 5.000 . 6.000 5.355 5.120 5.689 . 0 0 "[ . 1 . 2]" 1
1741 1 58 THR H 1 98 THR HA 4.000 . 4.750 4.578 4.423 4.672 . 0 0 "[ . 1 . 2]" 1
1742 1 58 THR HA 1 98 THR HA 3.000 . 3.500 2.304 2.123 2.459 . 0 0 "[ . 1 . 2]" 1
1743 1 58 THR HA 1 98 THR MG 5.000 . 6.000 3.857 3.352 4.170 . 0 0 "[ . 1 . 2]" 1
1744 1 58 THR HB 1 98 THR H 5.000 . 6.000 5.502 5.149 5.968 . 0 0 "[ . 1 . 2]" 1
1745 1 58 THR HB 1 98 THR HA 5.000 . 6.000 3.522 3.330 3.651 . 0 0 "[ . 1 . 2]" 1
1746 1 58 THR HB 1 98 THR MG 5.000 . 6.000 3.888 2.925 4.366 . 0 0 "[ . 1 . 2]" 1
1747 1 58 THR H 1 99 VAL H 5.000 . 6.000 4.661 4.613 4.703 . 0 0 "[ . 1 . 2]" 1
1748 1 58 THR HA 1 99 VAL H 3.000 . 3.500 2.898 2.835 2.977 . 0 0 "[ . 1 . 2]" 1
1749 1 58 THR HA 1 99 VAL HB 5.000 . 6.000 5.840 5.730 6.008 0.008 13 0 "[ . 1 . 2]" 1
1750 1 58 THR HB 1 99 VAL H 5.000 . 6.000 4.878 4.777 5.004 . 0 0 "[ . 1 . 2]" 1
1751 1 58 THR MG 1 99 VAL H 5.000 . 6.000 5.422 5.326 5.503 . 0 0 "[ . 1 . 2]" 1
1752 1 59 HIS HA 1 78 LEU MD2 5.000 . 6.000 4.552 4.407 5.204 . 0 0 "[ . 1 . 2]" 1
1753 1 59 HIS HB3 1 78 LEU HB3 5.000 . 6.000 5.217 4.465 5.420 . 0 0 "[ . 1 . 2]" 1
1754 1 59 HIS HB3 1 78 LEU MD1 5.000 . 6.000 2.183 2.088 2.741 . 0 0 "[ . 1 . 2]" 1
1755 1 59 HIS HB3 1 78 LEU MD2 4.000 . 4.750 2.046 1.916 2.820 . 0 0 "[ . 1 . 2]" 1
1756 1 59 HIS HB2 1 78 LEU MD1 5.000 . 6.000 2.652 2.479 4.066 . 0 0 "[ . 1 . 2]" 1
1757 1 59 HIS HB2 1 78 LEU MD2 4.000 . 4.750 3.019 2.856 3.293 . 0 0 "[ . 1 . 2]" 1
1758 1 59 HIS HD2 1 78 LEU MD1 5.000 . 6.000 2.999 2.649 5.569 . 0 0 "[ . 1 . 2]" 1
1759 1 59 HIS HD2 1 78 LEU MD2 4.000 . 4.750 4.584 4.375 4.758 0.008 15 0 "[ . 1 . 2]" 1
1760 1 59 HIS HE1 1 78 LEU MD1 5.000 . 6.000 3.658 3.440 5.469 . 0 0 "[ . 1 . 2]" 1
1761 1 59 HIS HE1 1 78 LEU MD2 5.000 . 6.000 5.346 5.205 6.042 0.042 18 0 "[ . 1 . 2]" 1
1762 1 59 HIS HE2 1 78 LEU MD2 5.000 . 6.000 5.641 5.577 5.754 . 0 0 "[ . 1 . 2]" 1
1763 1 59 HIS HD2 1 79 ASP H 5.000 . 6.000 5.992 5.961 6.030 0.030 18 0 "[ . 1 . 2]" 1
1764 1 59 HIS HD2 1 79 ASP HA 5.000 . 6.000 6.005 5.960 6.019 0.019 5 0 "[ . 1 . 2]" 1
1765 1 59 HIS HD2 1 79 ASP QB 5.000 . 6.000 3.815 3.762 3.850 . 0 0 "[ . 1 . 2]" 1
1766 1 59 HIS HE1 1 79 ASP H 3.000 . 3.500 3.520 3.484 3.529 0.029 12 0 "[ . 1 . 2]" 1
1767 1 59 HIS HE1 1 79 ASP HA 4.000 . 4.750 2.505 2.408 2.576 . 0 0 "[ . 1 . 2]" 1
1768 1 59 HIS HE1 1 79 ASP QB 4.000 . 4.750 2.572 2.544 2.601 . 0 0 "[ . 1 . 2]" 1
1769 1 59 HIS H 1 96 GLU HA 4.000 . 4.750 4.504 4.345 4.701 . 0 0 "[ . 1 . 2]" 1
1770 1 59 HIS H 1 96 GLU QG 5.000 . 6.000 3.859 3.459 4.459 . 0 0 "[ . 1 . 2]" 1
1771 1 59 HIS H 1 97 ASN H 3.000 . 3.500 2.918 2.784 3.129 . 0 0 "[ . 1 . 2]" 1
1772 1 59 HIS H 1 97 ASN HD21 5.000 . 6.000 5.265 4.779 5.720 . 0 0 "[ . 1 . 2]" 1
1773 1 59 HIS HA 1 97 ASN H 4.000 . 4.750 3.946 3.822 4.138 . 0 0 "[ . 1 . 2]" 1
1774 1 59 HIS H 1 99 VAL H 3.000 . 3.500 3.487 3.372 3.514 0.014 15 0 "[ . 1 . 2]" 1
1775 1 60 ALA HA 1 96 GLU HA 5.000 . 6.000 3.187 2.374 3.417 . 0 0 "[ . 1 . 2]" 1
1776 1 60 ALA MB 1 96 GLU HA 5.000 . 6.000 3.150 2.811 3.314 . 0 0 "[ . 1 . 2]" 1
1777 1 60 ALA HA 1 97 ASN H 4.000 . 4.750 3.282 2.841 3.482 . 0 0 "[ . 1 . 2]" 1
1778 1 60 ALA HA 1 97 ASN HD21 4.000 . 4.750 3.487 2.014 4.099 . 0 0 "[ . 1 . 2]" 1
1779 1 60 ALA HA 1 97 ASN HD22 4.000 . 4.750 3.386 3.046 3.908 . 0 0 "[ . 1 . 2]" 1
1780 1 60 ALA MB 1 97 ASN HD21 5.000 . 6.000 4.817 3.511 5.327 . 0 0 "[ . 1 . 2]" 1
1781 1 61 ILE HA 1 78 LEU MD2 5.000 . 6.000 3.077 2.687 4.749 . 0 0 "[ . 1 . 2]" 1
1782 1 61 ILE HB 1 85 LEU MD2 5.000 . 6.000 4.323 3.302 5.117 . 0 0 "[ . 1 . 2]" 1
1783 1 61 ILE H 1 96 GLU HA 5.000 . 6.000 5.199 4.313 5.438 . 0 0 "[ . 1 . 2]" 1
1784 1 61 ILE H 1 97 ASN HB3 5.000 . 6.000 5.906 5.338 6.005 0.005 18 0 "[ . 1 . 2]" 1
1785 1 61 ILE H 1 97 ASN HB2 4.000 . 4.750 4.636 3.909 4.769 0.019 8 0 "[ . 1 . 2]" 1
1786 1 61 ILE H 1 97 ASN HD21 4.000 . 4.750 3.036 2.489 3.469 . 0 0 "[ . 1 . 2]" 1
1787 1 61 ILE H 1 97 ASN HD22 3.000 . 3.500 2.996 2.680 3.517 0.017 18 0 "[ . 1 . 2]" 1
1788 1 61 ILE HB 1 97 ASN HB2 5.000 . 6.000 5.803 5.234 6.012 0.012 6 0 "[ . 1 . 2]" 1
1789 1 61 ILE HB 1 97 ASN HD21 4.000 . 4.750 4.122 3.602 4.763 0.013 3 0 "[ . 1 . 2]" 1
1790 1 61 ILE HB 1 97 ASN HD22 4.000 . 4.750 4.305 3.855 4.759 0.009 13 0 "[ . 1 . 2]" 1
1791 1 61 ILE MD 1 97 ASN HB3 5.000 . 6.000 4.963 3.905 5.678 . 0 0 "[ . 1 . 2]" 1
1792 1 61 ILE MD 1 97 ASN HB2 5.000 . 6.000 3.566 2.390 4.232 . 0 0 "[ . 1 . 2]" 1
1793 1 61 ILE MD 1 97 ASN HD22 5.000 . 6.000 4.402 3.540 5.027 . 0 0 "[ . 1 . 2]" 1
1794 1 62 THR H 1 76 TYR HA 5.000 . 6.000 4.609 4.476 4.781 . 0 0 "[ . 1 . 2]" 1
1795 1 62 THR H 1 76 TYR HB3 5.000 . 6.000 3.975 3.835 4.156 . 0 0 "[ . 1 . 2]" 1
1796 1 62 THR H 1 76 TYR QD 5.000 . 6.000 4.078 3.754 4.321 . 0 0 "[ . 1 . 2]" 1
1797 1 62 THR H 1 77 TYR H 3.000 . 3.500 2.487 2.357 2.631 . 0 0 "[ . 1 . 2]" 1
1798 1 62 THR H 1 77 TYR HA 5.000 . 6.000 4.446 4.353 4.519 . 0 0 "[ . 1 . 2]" 1
1799 1 62 THR H 1 77 TYR HB2 3.000 . 3.500 3.522 3.501 3.535 0.035 14 0 "[ . 1 . 2]" 1
1800 1 62 THR H 1 77 TYR QD 5.000 . 6.000 5.052 4.983 5.122 . 0 0 "[ . 1 . 2]" 1
1801 1 62 THR HA 1 77 TYR QD 5.000 . 6.000 5.966 5.867 6.025 0.025 18 0 "[ . 1 . 2]" 1
1802 1 62 THR HB 1 77 TYR H 4.000 . 4.750 3.053 2.907 3.162 . 0 0 "[ . 1 . 2]" 1
1803 1 62 THR HB 1 77 TYR HB3 4.000 . 4.750 3.468 3.377 3.549 . 0 0 "[ . 1 . 2]" 1
1804 1 62 THR HB 1 77 TYR HB2 4.000 . 4.750 1.956 1.908 1.984 . 0 0 "[ . 1 . 2]" 1
1805 1 62 THR HB 1 77 TYR QD 4.000 . 4.750 3.644 3.436 3.718 . 0 0 "[ . 1 . 2]" 1
1806 1 62 THR HB 1 77 TYR QE 5.000 . 6.000 5.620 5.456 5.682 . 0 0 "[ . 1 . 2]" 1
1807 1 62 THR MG 1 77 TYR HB3 5.000 . 6.000 4.293 4.197 4.478 . 0 0 "[ . 1 . 2]" 1
1808 1 62 THR MG 1 77 TYR HB2 5.000 . 6.000 3.429 3.302 3.503 . 0 0 "[ . 1 . 2]" 1
1809 1 62 THR MG 1 77 TYR QD 5.000 . 6.000 4.660 4.508 4.736 . 0 0 "[ . 1 . 2]" 1
1810 1 62 THR H 1 78 LEU H 5.000 . 6.000 4.768 4.705 4.838 . 0 0 "[ . 1 . 2]" 1
1811 1 62 THR H 1 78 LEU HA 4.000 . 4.750 3.719 3.639 3.828 . 0 0 "[ . 1 . 2]" 1
1812 1 62 THR H 1 78 LEU MD1 5.000 . 6.000 5.189 3.496 5.432 . 0 0 "[ . 1 . 2]" 1
1813 1 62 THR H 1 78 LEU MD2 5.000 . 6.000 4.515 4.223 6.004 0.004 8 0 "[ . 1 . 2]" 1
1814 1 62 THR HB 1 79 ASP H 5.000 . 6.000 5.927 5.782 6.009 0.009 8 0 "[ . 1 . 2]" 1
1815 1 63 ARG QH 1 71 PRO QG 5.000 . 6.000 3.727 2.701 4.547 . 0 0 "[ . 1 . 2]" 1
1816 1 63 ARG HA 1 74 TRP HE3 5.000 . 6.000 5.215 4.802 5.626 . 0 0 "[ . 1 . 2]" 1
1817 1 63 ARG QB 1 74 TRP HE3 4.000 . 4.750 4.018 3.576 4.521 . 0 0 "[ . 1 . 2]" 1
1818 1 63 ARG QG 1 74 TRP HE3 4.000 . 4.750 2.731 2.074 3.868 . 0 0 "[ . 1 . 2]" 1
1819 1 63 ARG QD 1 74 TRP HE3 5.000 . 6.000 3.013 1.829 4.064 . 0 0 "[ . 1 . 2]" 1
1820 1 63 ARG QH 1 74 TRP HE1 5.000 . 6.000 5.973 5.635 6.086 0.086 15 0 "[ . 1 . 2]" 1
1821 1 63 ARG QH 1 74 TRP HZ2 5.000 . 6.000 5.024 4.496 5.383 . 0 0 "[ . 1 . 2]" 1
1822 1 63 ARG H 1 76 TYR QD 5.000 . 6.000 4.780 4.516 5.075 . 0 0 "[ . 1 . 2]" 1
1823 1 63 ARG H 1 76 TYR QE 5.000 . 6.000 5.374 4.970 5.624 . 0 0 "[ . 1 . 2]" 1
1824 1 63 ARG HA 1 76 TYR HA 5.000 . 6.000 2.500 2.336 2.644 . 0 0 "[ . 1 . 2]" 1
1825 1 63 ARG HA 1 76 TYR HB3 5.000 . 6.000 4.291 4.090 4.431 . 0 0 "[ . 1 . 2]" 1
1826 1 63 ARG HA 1 76 TYR QD 4.000 . 4.750 3.371 3.047 3.654 . 0 0 "[ . 1 . 2]" 1
1827 1 63 ARG HA 1 76 TYR QE 5.000 . 6.000 3.995 3.748 4.226 . 0 0 "[ . 1 . 2]" 1
1828 1 63 ARG QB 1 76 TYR QD 4.000 . 4.750 3.990 3.336 4.445 . 0 0 "[ . 1 . 2]" 1
1829 1 63 ARG QB 1 76 TYR QE 4.000 . 4.750 3.481 2.699 4.029 . 0 0 "[ . 1 . 2]" 1
1830 1 63 ARG QG 1 76 TYR HB3 5.000 . 6.000 4.822 4.480 5.135 . 0 0 "[ . 1 . 2]" 1
1831 1 63 ARG QG 1 76 TYR QD 3.000 . 3.500 3.253 2.827 3.515 0.015 9 0 "[ . 1 . 2]" 1
1832 1 63 ARG QG 1 76 TYR QE 3.000 . 3.500 2.549 2.000 3.007 . 0 0 "[ . 1 . 2]" 1
1833 1 63 ARG QD 1 76 TYR QE 4.000 . 4.750 2.654 1.892 3.762 . 0 0 "[ . 1 . 2]" 1
1834 1 63 ARG QH 1 76 TYR QE 5.000 . 6.000 3.772 2.199 4.847 . 0 0 "[ . 1 . 2]" 1
1835 1 63 ARG H 1 77 TYR H 4.000 . 4.750 4.749 4.684 4.773 0.023 4 0 "[ . 1 . 2]" 1
1836 1 63 ARG HA 1 77 TYR H 4.000 . 4.750 3.967 3.781 4.091 . 0 0 "[ . 1 . 2]" 1
1837 1 63 ARG HA 1 77 TYR QD 4.000 . 4.750 4.454 4.355 4.528 . 0 0 "[ . 1 . 2]" 1
1838 1 63 ARG HA 1 77 TYR QE 5.000 . 6.000 6.026 6.008 6.046 0.046 6 0 "[ . 1 . 2]" 1
1839 1 63 ARG QB 1 85 LEU MD2 5.000 . 6.000 5.561 4.976 5.991 . 0 0 "[ . 1 . 2]" 1
1840 1 64 TYR H 1 74 TRP HA 5.000 . 6.000 5.975 5.857 6.021 0.021 2 0 "[ . 1 . 2]" 1
1841 1 64 TYR H 1 74 TRP HE3 5.000 . 6.000 5.418 5.055 5.610 . 0 0 "[ . 1 . 2]" 1
1842 1 64 TYR H 1 75 ARG H 4.000 . 4.750 3.792 3.705 3.856 . 0 0 "[ . 1 . 2]" 1
1843 1 64 TYR HB3 1 75 ARG H 5.000 . 6.000 4.467 4.282 4.621 . 0 0 "[ . 1 . 2]" 1
1844 1 64 TYR HB2 1 75 ARG HB3 4.000 . 4.750 3.105 2.849 3.330 . 0 0 "[ . 1 . 2]" 1
1845 1 64 TYR HB2 1 75 ARG QG 4.000 . 4.750 4.748 4.668 4.777 0.027 2 0 "[ . 1 . 2]" 1
1846 1 64 TYR QD 1 75 ARG H 5.000 . 6.000 5.667 5.530 5.770 . 0 0 "[ . 1 . 2]" 1
1847 1 64 TYR QD 1 75 ARG QG 5.000 . 6.000 5.990 5.937 6.016 0.016 15 0 "[ . 1 . 2]" 1
1848 1 64 TYR H 1 76 TYR QD 4.000 . 4.750 4.582 4.430 4.752 0.002 10 0 "[ . 1 . 2]" 1
1849 1 64 TYR H 1 76 TYR QE 5.000 . 6.000 5.346 5.152 5.556 . 0 0 "[ . 1 . 2]" 1
1850 1 64 TYR HB3 1 76 TYR HA 5.000 . 6.000 5.749 5.616 5.876 . 0 0 "[ . 1 . 2]" 1
1851 1 64 TYR HB2 1 76 TYR HA 5.000 . 6.000 4.057 3.917 4.191 . 0 0 "[ . 1 . 2]" 1
1852 1 64 TYR QE 1 76 TYR HA 5.000 . 6.000 5.499 5.339 5.883 . 0 0 "[ . 1 . 2]" 1
1853 1 64 TYR H 1 77 TYR QD 3.000 . 3.500 3.511 3.441 3.533 0.033 20 0 "[ . 1 . 2]" 1
1854 1 64 TYR H 1 77 TYR QE 4.000 . 4.750 4.393 4.334 4.470 . 0 0 "[ . 1 . 2]" 1
1855 1 64 TYR HB3 1 77 TYR QD 4.000 . 4.750 4.373 4.193 4.506 . 0 0 "[ . 1 . 2]" 1
1856 1 64 TYR HB3 1 77 TYR QE 3.000 . 3.500 3.439 3.206 3.518 0.018 15 0 "[ . 1 . 2]" 1
1857 1 64 TYR HB2 1 77 TYR QD 3.000 . 3.500 2.791 2.606 2.902 . 0 0 "[ . 1 . 2]" 1
1858 1 64 TYR HB2 1 77 TYR QE 3.000 . 3.500 2.445 2.295 2.529 . 0 0 "[ . 1 . 2]" 1
1859 1 64 TYR QD 1 77 TYR HB3 4.000 . 4.750 4.332 4.113 4.594 . 0 0 "[ . 1 . 2]" 1
1860 1 64 TYR QD 1 77 TYR QD 3.000 . 3.500 2.192 1.983 2.704 . 0 0 "[ . 1 . 2]" 1
1861 1 65 GLY H 1 74 TRP HE3 4.000 . 4.750 4.802 4.764 4.821 0.071 2 0 "[ . 1 . 2]" 1
1862 1 65 GLY QA 1 74 TRP HA 5.000 . 6.000 3.186 2.805 3.475 . 0 0 "[ . 1 . 2]" 1
1863 1 65 GLY QA 1 74 TRP HB3 5.000 . 6.000 1.925 1.778 2.130 0.022 15 0 "[ . 1 . 2]" 1
1864 1 65 GLY QA 1 74 TRP HD1 4.000 . 4.750 2.763 2.655 2.903 . 0 0 "[ . 1 . 2]" 1
1865 1 65 GLY QA 1 74 TRP HE1 5.000 . 6.000 3.545 3.419 3.663 . 0 0 "[ . 1 . 2]" 1
1866 1 65 GLY QA 1 74 TRP HE3 4.000 . 4.750 3.704 3.611 3.795 . 0 0 "[ . 1 . 2]" 1
1867 1 65 GLY QA 1 74 TRP HZ3 5.000 . 6.000 4.846 4.749 4.966 . 0 0 "[ . 1 . 2]" 1
1868 1 65 GLY QA 1 75 ARG H 5.000 . 6.000 3.069 2.627 3.441 . 0 0 "[ . 1 . 2]" 1
1869 1 66 ILE H 1 74 TRP HA 5.000 . 6.000 3.197 3.093 3.602 . 0 0 "[ . 1 . 2]" 1
1870 1 66 ILE H 1 74 TRP HD1 5.000 . 6.000 2.298 1.991 2.598 . 0 0 "[ . 1 . 2]" 1
1871 1 66 ILE H 1 74 TRP HE1 5.000 . 6.000 3.797 3.047 4.295 . 0 0 "[ . 1 . 2]" 1
1872 1 66 ILE H 1 74 TRP HE3 5.000 . 6.000 5.998 5.742 6.061 0.061 20 0 "[ . 1 . 2]" 1
1873 1 66 ILE HA 1 74 TRP HA 5.000 . 6.000 6.037 6.003 6.096 0.096 12 0 "[ . 1 . 2]" 1
1874 1 66 ILE HA 1 74 TRP HE1 5.000 . 6.000 5.363 4.882 5.604 . 0 0 "[ . 1 . 2]" 1
1875 1 66 ILE MD 1 74 TRP HE1 5.000 . 6.000 5.509 4.357 6.047 0.047 4 0 "[ . 1 . 2]" 1
1876 1 66 ILE MD 1 75 ARG HE 5.000 . 6.000 4.181 3.069 5.466 . 0 0 "[ . 1 . 2]" 1
1877 1 66 ILE MD 1 75 ARG QH 5.000 . 6.000 2.642 1.788 4.137 0.012 13 0 "[ . 1 . 2]" 1
1878 1 67 SER HA 1 74 TRP HE1 5.000 . 6.000 5.069 4.836 5.375 . 0 0 "[ . 1 . 2]" 1
1879 1 67 SER QB 1 75 ARG H 5.000 . 6.000 5.472 5.106 6.005 0.005 6 0 "[ . 1 . 2]" 1
1880 1 68 THR HB 1 74 TRP HD1 4.000 . 4.750 4.775 4.760 4.794 0.044 15 0 "[ . 1 . 2]" 1
1881 1 68 THR HB 1 74 TRP HE1 5.000 . 6.000 2.613 2.539 2.712 . 0 0 "[ . 1 . 2]" 1
1882 1 68 THR HB 1 74 TRP HZ2 5.000 . 6.000 3.426 3.193 3.729 . 0 0 "[ . 1 . 2]" 1
1883 1 68 THR MG 1 74 TRP HD1 5.000 . 6.000 5.941 5.886 5.980 . 0 0 "[ . 1 . 2]" 1
1884 1 68 THR MG 1 74 TRP HE1 5.000 . 6.000 4.017 3.987 4.068 . 0 0 "[ . 1 . 2]" 1
1885 1 68 THR MG 1 74 TRP HZ2 5.000 . 6.000 3.765 3.495 4.146 . 0 0 "[ . 1 . 2]" 1
1886 1 69 ASP H 1 74 TRP HE1 5.000 . 6.000 4.608 4.395 4.757 . 0 0 "[ . 1 . 2]" 1
1887 1 69 ASP H 1 74 TRP HZ2 5.000 . 6.000 4.267 4.151 4.449 . 0 0 "[ . 1 . 2]" 1
1888 1 69 ASP HA 1 74 TRP HE1 5.000 . 6.000 4.376 4.133 4.631 . 0 0 "[ . 1 . 2]" 1
1889 1 69 ASP QB 1 74 TRP HE1 5.000 . 6.000 5.850 5.563 6.013 0.013 8 0 "[ . 1 . 2]" 1
1890 1 69 ASP QB 1 74 TRP HZ2 4.000 . 4.750 4.760 4.643 4.798 0.048 6 0 "[ . 1 . 2]" 1
1891 1 73 LYS H 1 87 PRO HD3 5.000 . 6.000 5.768 5.277 6.005 0.005 4 0 "[ . 1 . 2]" 1
1892 1 74 TRP HE3 1 90 GLU QB 5.000 . 6.000 5.347 4.644 6.056 0.056 3 0 "[ . 1 . 2]" 1
1893 1 74 TRP HE3 1 90 GLU QG 5.000 . 6.000 5.213 3.827 6.021 0.021 4 0 "[ . 1 . 2]" 1
1894 1 74 TRP HZ3 1 90 GLU QG 5.000 . 6.000 5.222 4.140 6.008 0.008 16 0 "[ . 1 . 2]" 1
1895 1 75 ARG QG 1 82 GLU HA 5.000 . 6.000 5.599 5.277 5.934 . 0 0 "[ . 1 . 2]" 1
1896 1 76 TYR HA 1 83 VAL H 5.000 . 6.000 4.731 4.683 4.822 . 0 0 "[ . 1 . 2]" 1
1897 1 76 TYR HB3 1 83 VAL H 5.000 . 6.000 4.410 4.269 4.653 . 0 0 "[ . 1 . 2]" 1
1898 1 76 TYR HB2 1 83 VAL H 5.000 . 6.000 4.066 3.940 4.345 . 0 0 "[ . 1 . 2]" 1
1899 1 76 TYR QD 1 84 HIS HA 5.000 . 6.000 3.631 3.413 4.010 . 0 0 "[ . 1 . 2]" 1
1900 1 76 TYR QE 1 84 HIS HA 5.000 . 6.000 5.571 5.331 6.022 0.022 16 0 "[ . 1 . 2]" 1
1901 1 76 TYR HB3 1 85 LEU HB2 5.000 . 6.000 3.036 2.661 3.165 . 0 0 "[ . 1 . 2]" 1
1902 1 76 TYR HB3 1 85 LEU MD1 5.000 . 6.000 3.540 3.395 3.644 . 0 0 "[ . 1 . 2]" 1
1903 1 76 TYR HB3 1 85 LEU MD2 5.000 . 6.000 4.561 4.211 4.722 . 0 0 "[ . 1 . 2]" 1
1904 1 76 TYR HB2 1 85 LEU HB2 5.000 . 6.000 2.862 2.530 2.986 . 0 0 "[ . 1 . 2]" 1
1905 1 76 TYR HB2 1 85 LEU MD2 5.000 . 6.000 4.551 4.334 4.720 . 0 0 "[ . 1 . 2]" 1
1906 1 76 TYR QD 1 85 LEU H 5.000 . 6.000 2.382 2.158 2.744 . 0 0 "[ . 1 . 2]" 1
1907 1 76 TYR QD 1 85 LEU HA 5.000 . 6.000 4.678 4.496 4.822 . 0 0 "[ . 1 . 2]" 1
1908 1 76 TYR QD 1 85 LEU HB3 4.000 . 4.750 2.734 2.686 2.831 . 0 0 "[ . 1 . 2]" 1
1909 1 76 TYR QD 1 85 LEU HG 5.000 . 6.000 4.860 4.706 4.941 . 0 0 "[ . 1 . 2]" 1
1910 1 76 TYR QD 1 85 LEU MD1 4.000 . 4.750 2.848 2.311 3.426 . 0 0 "[ . 1 . 2]" 1
1911 1 76 TYR QD 1 85 LEU MD2 5.000 . 6.000 3.322 2.811 3.447 . 0 0 "[ . 1 . 2]" 1
1912 1 76 TYR QE 1 85 LEU H 5.000 . 6.000 4.025 3.671 4.431 . 0 0 "[ . 1 . 2]" 1
1913 1 76 TYR QE 1 85 LEU HB2 4.000 . 4.750 4.484 3.993 4.757 0.007 5 0 "[ . 1 . 2]" 1
1914 1 76 TYR QE 1 85 LEU MD1 4.000 . 4.750 3.169 2.422 4.174 . 0 0 "[ . 1 . 2]" 1
1915 1 76 TYR QE 1 85 LEU MD2 4.000 . 4.750 2.677 2.304 2.900 . 0 0 "[ . 1 . 2]" 1
1916 1 76 TYR QE 1 87 PRO HA 5.000 . 6.000 3.675 3.570 3.770 . 0 0 "[ . 1 . 2]" 1
1917 1 76 TYR QE 1 87 PRO HB2 5.000 . 6.000 6.005 5.917 6.054 0.054 17 0 "[ . 1 . 2]" 1
1918 1 76 TYR QD 1 90 GLU HA 5.000 . 6.000 5.155 4.790 5.462 . 0 0 "[ . 1 . 2]" 1
1919 1 76 TYR QE 1 90 GLU H 5.000 . 6.000 4.753 4.450 5.067 . 0 0 "[ . 1 . 2]" 1
1920 1 76 TYR QE 1 90 GLU HA 5.000 . 6.000 3.029 2.671 3.293 . 0 0 "[ . 1 . 2]" 1
1921 1 76 TYR QE 1 90 GLU QB 4.000 . 4.750 3.707 2.819 4.616 . 0 0 "[ . 1 . 2]" 1
1922 1 76 TYR QE 1 90 GLU QG 4.000 . 4.750 4.014 2.549 4.807 0.057 5 0 "[ . 1 . 2]" 1
1923 1 76 TYR QD 1 93 ILE MD 3.000 . 3.500 3.523 3.493 3.550 0.050 15 0 "[ . 1 . 2]" 1
1924 1 76 TYR QE 1 93 ILE HB 5.000 . 6.000 5.094 4.684 5.773 . 0 0 "[ . 1 . 2]" 1
1925 1 76 TYR QE 1 93 ILE MD 3.000 . 3.500 2.583 2.001 2.997 . 0 0 "[ . 1 . 2]" 1
1926 1 76 TYR H 1 107 LEU QD 5.000 . 6.000 4.012 3.805 4.741 . 0 0 "[ . 1 . 2]" 1
1927 1 77 TYR H 1 82 GLU HA 5.000 . 6.000 4.923 4.853 5.077 . 0 0 "[ . 1 . 2]" 1
1928 1 77 TYR HA 1 82 GLU H 5.000 . 6.000 4.761 4.712 4.868 . 0 0 "[ . 1 . 2]" 1
1929 1 77 TYR HA 1 82 GLU HA 4.000 . 4.750 2.228 2.148 2.396 . 0 0 "[ . 1 . 2]" 1
1930 1 77 TYR HA 1 82 GLU QG 5.000 . 6.000 5.181 4.762 5.327 . 0 0 "[ . 1 . 2]" 1
1931 1 77 TYR QD 1 82 GLU H 4.000 . 4.750 4.032 3.852 4.163 . 0 0 "[ . 1 . 2]" 1
1932 1 77 TYR QD 1 82 GLU HA 4.000 . 4.750 2.908 2.809 2.997 . 0 0 "[ . 1 . 2]" 1
1933 1 77 TYR QD 1 82 GLU QB 3.000 . 3.500 3.383 3.302 3.505 0.005 20 0 "[ . 1 . 2]" 1
1934 1 77 TYR QD 1 82 GLU QG 5.000 . 6.000 4.854 3.085 5.061 . 0 0 "[ . 1 . 2]" 1
1935 1 77 TYR QE 1 82 GLU H 4.000 . 4.750 4.031 3.793 4.159 . 0 0 "[ . 1 . 2]" 1
1936 1 77 TYR QE 1 82 GLU HA 4.000 . 4.750 3.503 3.330 3.638 . 0 0 "[ . 1 . 2]" 1
1937 1 77 TYR QE 1 82 GLU QB 3.000 . 3.500 2.442 2.328 2.828 . 0 0 "[ . 1 . 2]" 1
1938 1 77 TYR QE 1 82 GLU QG 5.000 . 6.000 4.145 1.961 4.387 . 0 0 "[ . 1 . 2]" 1
1939 1 77 TYR HA 1 83 VAL H 4.000 . 4.750 2.227 2.107 2.422 . 0 0 "[ . 1 . 2]" 1
1940 1 77 TYR HA 1 83 VAL HB 5.000 . 6.000 5.087 4.895 5.224 . 0 0 "[ . 1 . 2]" 1
1941 1 77 TYR QD 1 83 VAL H 4.000 . 4.750 3.889 3.771 3.996 . 0 0 "[ . 1 . 2]" 1
1942 1 77 TYR QE 1 83 VAL H 4.000 . 4.750 4.682 4.481 4.760 0.010 8 0 "[ . 1 . 2]" 1
1943 1 78 LEU MD2 1 83 VAL H 5.000 . 6.000 5.970 5.848 6.016 0.016 18 0 "[ . 1 . 2]" 1
1944 1 78 LEU MD2 1 97 ASN H 5.000 . 6.000 5.579 5.333 6.059 0.059 8 0 "[ . 1 . 2]" 1
1945 1 78 LEU MD2 1 99 VAL H 5.000 . 6.000 4.868 4.493 5.076 . 0 0 "[ . 1 . 2]" 1
1946 1 78 LEU HG 1 101 LEU MD1 5.000 . 6.000 4.524 4.193 6.020 0.020 8 0 "[ . 1 . 2]" 1
1947 1 78 LEU MD1 1 101 LEU MD1 5.000 . 6.000 5.231 5.036 5.531 . 0 0 "[ . 1 . 2]" 1
1948 1 78 LEU MD1 1 108 PRO QG 5.000 . 6.000 5.675 5.516 6.025 0.025 8 0 "[ . 1 . 2]" 1
1949 1 82 GLU QG 1 107 LEU QD 4.000 . 4.750 2.254 1.865 2.932 . 0 0 "[ . 1 . 2]" 1
1950 1 83 VAL HA 1 101 LEU MD1 5.000 . 6.000 5.623 5.220 5.903 . 0 0 "[ . 1 . 2]" 1
1951 1 83 VAL HA 1 101 LEU MD2 5.000 . 6.000 4.585 4.251 4.938 . 0 0 "[ . 1 . 2]" 1
1952 1 83 VAL HB 1 101 LEU MD1 4.000 . 4.750 4.721 4.382 4.768 0.018 3 0 "[ . 1 . 2]" 1
1953 1 83 VAL HB 1 101 LEU MD2 3.000 . 3.500 2.908 2.639 3.290 . 0 0 "[ . 1 . 2]" 1
1954 1 83 VAL HA 1 107 LEU QB 4.000 . 4.750 2.101 1.977 2.272 . 0 0 "[ . 1 . 2]" 1
1955 1 83 VAL HA 1 107 LEU QD 4.000 . 4.750 2.307 1.935 2.987 . 0 0 "[ . 1 . 2]" 1
1956 1 83 VAL HA 1 108 PRO QG 5.000 . 6.000 4.031 3.763 4.278 . 0 0 "[ . 1 . 2]" 1
1957 1 83 VAL HA 1 108 PRO QD 5.000 . 6.000 2.120 1.919 2.331 . 0 0 "[ . 1 . 2]" 1
1958 1 84 HIS H 1 101 LEU MD1 5.000 . 6.000 5.700 5.497 5.871 . 0 0 "[ . 1 . 2]" 1
1959 1 84 HIS H 1 101 LEU MD2 5.000 . 6.000 4.368 4.159 4.840 . 0 0 "[ . 1 . 2]" 1
1960 1 84 HIS H 1 107 LEU HA 5.000 . 6.000 6.032 6.020 6.046 0.046 2 0 "[ . 1 . 2]" 1
1961 1 84 HIS H 1 107 LEU QB 4.000 . 4.750 3.705 3.650 3.810 . 0 0 "[ . 1 . 2]" 1
1962 1 84 HIS H 1 107 LEU QD 4.000 . 4.750 2.611 2.298 4.336 . 0 0 "[ . 1 . 2]" 1
1963 1 84 HIS HA 1 107 LEU QD 4.000 . 4.750 3.151 2.970 4.686 . 0 0 "[ . 1 . 2]" 1
1964 1 84 HIS HB2 1 107 LEU QB 4.000 . 4.750 4.409 3.776 4.575 . 0 0 "[ . 1 . 2]" 1
1965 1 84 HIS HB2 1 107 LEU QD 4.000 . 4.750 2.202 1.871 4.188 . 0 0 "[ . 1 . 2]" 1
1966 1 84 HIS H 1 108 PRO QB 4.000 . 4.750 4.261 4.161 4.322 . 0 0 "[ . 1 . 2]" 1
1967 1 84 HIS H 1 108 PRO QG 5.000 . 6.000 5.119 4.930 5.234 . 0 0 "[ . 1 . 2]" 1
1968 1 84 HIS H 1 108 PRO QD 5.000 . 6.000 3.691 3.494 3.801 . 0 0 "[ . 1 . 2]" 1
1969 1 84 HIS H 1 109 LEU HA 3.000 . 3.500 3.053 2.943 3.170 . 0 0 "[ . 1 . 2]" 1
1970 1 84 HIS H 1 109 LEU MD1 5.000 . 6.000 5.089 4.961 5.291 . 0 0 "[ . 1 . 2]" 1
1971 1 84 HIS HB3 1 109 LEU H 5.000 . 6.000 4.693 4.613 4.786 . 0 0 "[ . 1 . 2]" 1
1972 1 84 HIS HB3 1 109 LEU MD1 4.000 . 4.750 3.614 3.493 3.758 . 0 0 "[ . 1 . 2]" 1
1973 1 84 HIS HB3 1 109 LEU MD2 4.000 . 4.750 1.766 1.746 1.791 0.054 16 0 "[ . 1 . 2]" 1
1974 1 84 HIS HB2 1 109 LEU HB3 5.000 . 6.000 6.046 6.012 6.079 0.079 2 0 "[ . 1 . 2]" 1
1975 1 84 HIS HB2 1 109 LEU MD1 5.000 . 6.000 5.044 4.932 5.177 . 0 0 "[ . 1 . 2]" 1
1976 1 84 HIS HD2 1 109 LEU HB3 5.000 . 6.000 5.808 5.738 5.895 . 0 0 "[ . 1 . 2]" 1
1977 1 84 HIS HD2 1 109 LEU HB2 5.000 . 6.000 5.383 5.334 5.436 . 0 0 "[ . 1 . 2]" 1
1978 1 84 HIS HD2 1 109 LEU HG 4.000 . 4.750 4.534 4.471 4.620 . 0 0 "[ . 1 . 2]" 1
1979 1 84 HIS HD2 1 109 LEU MD1 3.000 . 3.500 3.050 2.905 3.203 . 0 0 "[ . 1 . 2]" 1
1980 1 84 HIS HD2 1 109 LEU MD2 4.000 . 4.750 1.976 1.912 2.037 . 0 0 "[ . 1 . 2]" 1
1981 1 84 HIS HE1 1 109 LEU MD1 5.000 . 6.000 6.063 6.040 6.096 0.096 17 0 "[ . 1 . 2]" 1
1982 1 84 HIS H 1 110 VAL H 4.000 . 4.750 3.484 3.363 3.552 . 0 0 "[ . 1 . 2]" 1
1983 1 84 HIS HB3 1 110 VAL H 4.000 . 4.750 3.081 2.964 3.140 . 0 0 "[ . 1 . 2]" 1
1984 1 84 HIS HB2 1 110 VAL H 4.000 . 4.750 4.729 4.634 4.789 0.039 14 0 "[ . 1 . 2]" 1
1985 1 84 HIS HD2 1 110 VAL H 5.000 . 6.000 3.876 3.805 3.928 . 0 0 "[ . 1 . 2]" 1
1986 1 84 HIS HD2 1 110 VAL HB 5.000 . 6.000 4.773 4.758 4.798 . 0 0 "[ . 1 . 2]" 1
1987 1 84 HIS HD2 1 118 LEU MD2 5.000 . 6.000 4.315 4.080 4.899 . 0 0 "[ . 1 . 2]" 1
1988 1 85 LEU MD2 1 90 GLU H 5.000 . 6.000 3.088 2.748 3.537 . 0 0 "[ . 1 . 2]" 1
1989 1 85 LEU MD2 1 90 GLU HA 4.000 . 4.750 3.013 2.805 3.347 . 0 0 "[ . 1 . 2]" 1
1990 1 85 LEU MD2 1 90 GLU QB 5.000 . 6.000 3.683 3.172 4.347 . 0 0 "[ . 1 . 2]" 1
1991 1 85 LEU MD2 1 90 GLU QG 5.000 . 6.000 4.038 3.531 4.605 . 0 0 "[ . 1 . 2]" 1
1992 1 85 LEU MD2 1 92 TYR QD 5.000 . 6.000 5.438 5.234 5.510 . 0 0 "[ . 1 . 2]" 1
1993 1 85 LEU MD2 1 93 ILE H 5.000 . 6.000 4.642 4.185 4.833 . 0 0 "[ . 1 . 2]" 1
1994 1 85 LEU MD2 1 93 ILE HB 5.000 . 6.000 4.805 4.004 5.157 . 0 0 "[ . 1 . 2]" 1
1995 1 85 LEU MD2 1 93 ILE MD 5.000 . 6.000 3.762 3.255 4.069 . 0 0 "[ . 1 . 2]" 1
1996 1 85 LEU HA 1 109 LEU MD1 5.000 . 6.000 4.505 4.324 4.740 . 0 0 "[ . 1 . 2]" 1
1997 1 85 LEU H 1 110 VAL HB 5.000 . 6.000 5.171 5.088 5.326 . 0 0 "[ . 1 . 2]" 1
1998 1 85 LEU HA 1 110 VAL HB 4.000 . 4.750 2.569 2.502 2.685 . 0 0 "[ . 1 . 2]" 1
1999 1 85 LEU HB2 1 110 VAL HB 5.000 . 6.000 4.081 3.950 4.311 . 0 0 "[ . 1 . 2]" 1
2000 1 85 LEU MD1 1 110 VAL H 5.000 . 6.000 5.738 4.446 6.007 0.007 7 0 "[ . 1 . 2]" 1
2001 1 85 LEU MD1 1 110 VAL HB 4.000 . 4.750 4.067 2.593 4.367 . 0 0 "[ . 1 . 2]" 1
2002 1 85 LEU MD2 1 110 VAL HB 5.000 . 6.000 4.762 4.598 4.862 . 0 0 "[ . 1 . 2]" 1
2003 1 86 PRO HB2 1 109 LEU MD1 5.000 . 6.000 6.073 6.050 6.095 0.095 10 0 "[ . 1 . 2]" 1
2004 1 86 PRO QD 1 109 LEU MD1 5.000 . 6.000 3.093 3.016 3.194 . 0 0 "[ . 1 . 2]" 1
2005 1 86 PRO QD 1 110 VAL H 4.000 . 4.750 3.724 3.617 3.860 . 0 0 "[ . 1 . 2]" 1
2006 1 86 PRO QD 1 110 VAL HB 3.000 . 3.500 2.493 2.383 2.652 . 0 0 "[ . 1 . 2]" 1
2007 1 86 PRO HA 1 118 LEU MD2 5.000 . 6.000 3.995 3.839 4.178 . 0 0 "[ . 1 . 2]" 1
2008 1 86 PRO HB2 1 118 LEU MD2 5.000 . 6.000 3.021 2.726 3.182 . 0 0 "[ . 1 . 2]" 1
2009 1 86 PRO QG 1 118 LEU MD2 3.000 . 3.500 1.896 1.853 1.958 . 0 0 "[ . 1 . 2]" 1
2010 1 86 PRO QD 1 118 LEU MD2 5.000 . 6.000 3.033 2.809 3.442 . 0 0 "[ . 1 . 2]" 1
2011 1 88 PHE QD 1 118 LEU MD2 4.000 . 4.750 3.799 3.644 3.865 . 0 0 "[ . 1 . 2]" 1
2012 1 88 PHE QE 1 118 LEU HA 5.000 . 6.000 2.121 1.950 2.596 . 0 0 "[ . 1 . 2]" 1
2013 1 88 PHE QE 1 118 LEU HG 4.000 . 4.750 3.690 3.134 3.862 . 0 0 "[ . 1 . 2]" 1
2014 1 88 PHE QE 1 118 LEU MD2 3.000 . 3.500 1.848 1.795 1.891 0.005 11 0 "[ . 1 . 2]" 1
2015 1 89 TRP HH2 1 109 LEU MD1 5.000 . 6.000 4.188 4.121 4.285 . 0 0 "[ . 1 . 2]" 1
2016 1 89 TRP HH2 1 109 LEU MD2 5.000 . 6.000 6.005 5.923 6.044 0.044 17 0 "[ . 1 . 2]" 1
2017 1 89 TRP HE3 1 110 VAL HB 5.000 . 6.000 3.347 3.273 3.443 . 0 0 "[ . 1 . 2]" 1
2018 1 89 TRP HH2 1 110 VAL H 5.000 . 6.000 5.565 5.515 5.651 . 0 0 "[ . 1 . 2]" 1
2019 1 89 TRP HH2 1 110 VAL HA 5.000 . 6.000 4.796 4.743 4.872 . 0 0 "[ . 1 . 2]" 1
2020 1 89 TRP HH2 1 110 VAL HB 4.000 . 4.750 3.905 3.817 3.958 . 0 0 "[ . 1 . 2]" 1
2021 1 89 TRP HZ2 1 111 ILE HA 4.000 . 4.750 4.743 4.683 4.778 0.028 3 0 "[ . 1 . 2]" 1
2022 1 89 TRP HH2 1 111 ILE H 5.000 . 6.000 4.203 4.155 4.278 . 0 0 "[ . 1 . 2]" 1
2023 1 89 TRP HH2 1 111 ILE HA 4.000 . 4.750 2.952 2.867 3.057 . 0 0 "[ . 1 . 2]" 1
2024 1 89 TRP HE1 1 112 SER HA 5.000 . 6.000 5.258 5.152 5.332 . 0 0 "[ . 1 . 2]" 1
2025 1 89 TRP HZ2 1 112 SER H 5.000 . 6.000 5.084 4.980 5.162 . 0 0 "[ . 1 . 2]" 1
2026 1 89 TRP HZ2 1 112 SER HA 3.000 . 3.500 3.102 3.030 3.177 . 0 0 "[ . 1 . 2]" 1
2027 1 89 TRP HZ2 1 112 SER QB 4.000 . 4.750 4.762 4.635 4.782 0.032 13 0 "[ . 1 . 2]" 1
2028 1 89 TRP HH2 1 112 SER H 4.000 . 4.750 3.173 2.972 3.260 . 0 0 "[ . 1 . 2]" 1
2029 1 89 TRP HH2 1 112 SER HA 4.000 . 4.750 2.842 2.719 2.940 . 0 0 "[ . 1 . 2]" 1
2030 1 89 TRP HH2 1 112 SER QB 5.000 . 6.000 4.489 4.384 4.578 . 0 0 "[ . 1 . 2]" 1
2031 1 89 TRP H 1 113 LEU MD2 5.000 . 6.000 5.100 4.977 5.263 . 0 0 "[ . 1 . 2]" 1
2032 1 89 TRP HB3 1 113 LEU HB2 5.000 . 6.000 3.804 3.678 3.936 . 0 0 "[ . 1 . 2]" 1
2033 1 89 TRP HB3 1 113 LEU MD1 5.000 . 6.000 2.847 2.522 3.018 . 0 0 "[ . 1 . 2]" 1
2034 1 89 TRP HB3 1 113 LEU MD2 4.000 . 4.750 1.898 1.846 1.975 . 0 0 "[ . 1 . 2]" 1
2035 1 89 TRP HB2 1 113 LEU MD1 4.000 . 4.750 3.299 3.131 3.465 . 0 0 "[ . 1 . 2]" 1
2036 1 89 TRP HB2 1 113 LEU MD2 5.000 . 6.000 3.234 3.089 3.466 . 0 0 "[ . 1 . 2]" 1
2037 1 89 TRP HD1 1 113 LEU MD2 4.000 . 4.750 4.159 3.956 4.346 . 0 0 "[ . 1 . 2]" 1
2038 1 89 TRP HE1 1 113 LEU MD2 5.000 . 6.000 5.159 5.024 5.290 . 0 0 "[ . 1 . 2]" 1
2039 1 89 TRP HE3 1 113 LEU HA 5.000 . 6.000 5.385 5.274 5.488 . 0 0 "[ . 1 . 2]" 1
2040 1 89 TRP HE3 1 113 LEU HB3 4.000 . 4.750 4.649 4.446 4.755 0.005 20 0 "[ . 1 . 2]" 1
2041 1 89 TRP HE3 1 113 LEU HB2 3.000 . 3.500 3.292 3.104 3.411 . 0 0 "[ . 1 . 2]" 1
2042 1 89 TRP HE3 1 113 LEU MD1 3.000 . 3.500 1.935 1.872 2.016 . 0 0 "[ . 1 . 2]" 1
2043 1 89 TRP HE3 1 113 LEU MD2 3.000 . 3.500 3.428 3.338 3.524 0.024 12 0 "[ . 1 . 2]" 1
2044 1 89 TRP HZ2 1 113 LEU H 4.000 . 4.750 4.296 4.142 4.421 . 0 0 "[ . 1 . 2]" 1
2045 1 89 TRP HH2 1 113 LEU H 5.000 . 6.000 4.553 4.361 4.658 . 0 0 "[ . 1 . 2]" 1
2046 1 89 TRP HH2 1 113 LEU HB3 5.000 . 6.000 5.837 5.531 5.981 . 0 0 "[ . 1 . 2]" 1
2047 1 89 TRP HH2 1 113 LEU HB2 4.000 . 4.750 4.258 4.007 4.357 . 0 0 "[ . 1 . 2]" 1
2048 1 89 TRP HH2 1 113 LEU MD1 4.000 . 4.750 4.403 4.193 4.557 . 0 0 "[ . 1 . 2]" 1
2049 1 89 TRP HH2 1 113 LEU MD2 5.000 . 6.000 6.043 6.022 6.069 0.069 11 0 "[ . 1 . 2]" 1
2050 1 89 TRP HA 1 116 HIS HD2 5.000 . 6.000 5.550 5.327 5.612 . 0 0 "[ . 1 . 2]" 1
2051 1 89 TRP HB3 1 116 HIS HD2 5.000 . 6.000 5.204 5.023 5.376 . 0 0 "[ . 1 . 2]" 1
2052 1 89 TRP HD1 1 116 HIS HB3 4.000 . 4.750 3.480 3.373 3.632 . 0 0 "[ . 1 . 2]" 1
2053 1 89 TRP HD1 1 116 HIS HB2 5.000 . 6.000 3.664 3.430 3.788 . 0 0 "[ . 1 . 2]" 1
2054 1 89 TRP HD1 1 116 HIS HD2 5.000 . 6.000 5.241 5.009 5.374 . 0 0 "[ . 1 . 2]" 1
2055 1 89 TRP HE1 1 116 HIS H 5.000 . 6.000 5.953 5.819 6.016 0.016 20 0 "[ . 1 . 2]" 1
2056 1 89 TRP HE1 1 116 HIS HA 5.000 . 6.000 4.672 4.573 4.771 . 0 0 "[ . 1 . 2]" 1
2057 1 89 TRP HE1 1 116 HIS HB3 4.000 . 4.750 2.767 2.675 2.831 . 0 0 "[ . 1 . 2]" 1
2058 1 89 TRP HE1 1 116 HIS HB2 4.000 . 4.750 3.153 2.992 3.299 . 0 0 "[ . 1 . 2]" 1
2059 1 89 TRP HE1 1 116 HIS HD2 5.000 . 6.000 5.771 5.623 5.947 . 0 0 "[ . 1 . 2]" 1
2060 1 89 TRP HZ2 1 116 HIS HB3 4.000 . 4.750 4.762 4.738 4.773 0.023 3 0 "[ . 1 . 2]" 1
2061 1 89 TRP HE1 1 117 THR H 5.000 . 6.000 3.315 3.269 3.452 . 0 0 "[ . 1 . 2]" 1
2062 1 89 TRP HE1 1 117 THR HB 5.000 . 6.000 6.046 6.024 6.058 0.058 7 0 "[ . 1 . 2]" 1
2063 1 89 TRP HE1 1 117 THR MG 5.000 . 6.000 5.360 5.315 5.512 . 0 0 "[ . 1 . 2]" 1
2064 1 89 TRP HZ2 1 117 THR H 4.000 . 4.750 3.953 3.875 3.996 . 0 0 "[ . 1 . 2]" 1
2065 1 89 TRP HZ2 1 117 THR HA 3.000 . 3.500 2.648 2.479 2.721 . 0 0 "[ . 1 . 2]" 1
2066 1 89 TRP HZ2 1 117 THR HB 4.000 . 4.750 4.462 4.303 4.527 . 0 0 "[ . 1 . 2]" 1
2067 1 89 TRP HZ2 1 117 THR MG 4.000 . 4.750 4.704 4.456 4.771 0.021 6 0 "[ . 1 . 2]" 1
2068 1 89 TRP HH2 1 117 THR HA 5.000 . 6.000 3.980 3.685 4.104 . 0 0 "[ . 1 . 2]" 1
2069 1 89 TRP HH2 1 117 THR HB 5.000 . 6.000 5.624 5.295 5.763 . 0 0 "[ . 1 . 2]" 1
2070 1 89 TRP HH2 1 117 THR MG 5.000 . 6.000 5.730 5.071 5.907 . 0 0 "[ . 1 . 2]" 1
2071 1 89 TRP HD1 1 118 LEU MD2 5.000 . 6.000 5.959 5.728 6.036 0.036 8 0 "[ . 1 . 2]" 1
2072 1 89 TRP HE1 1 118 LEU HA 5.000 . 6.000 3.869 3.729 4.272 . 0 0 "[ . 1 . 2]" 1
2073 1 89 TRP HE1 1 118 LEU MD2 5.000 . 6.000 4.565 4.418 4.637 . 0 0 "[ . 1 . 2]" 1
2074 1 89 TRP HZ2 1 118 LEU H 3.000 . 3.500 2.403 2.288 2.708 . 0 0 "[ . 1 . 2]" 1
2075 1 89 TRP HZ2 1 118 LEU HA 3.000 . 3.500 2.529 2.358 2.936 . 0 0 "[ . 1 . 2]" 1
2076 1 89 TRP HZ2 1 118 LEU HB3 4.000 . 4.750 4.495 4.459 4.555 . 0 0 "[ . 1 . 2]" 1
2077 1 89 TRP HZ2 1 118 LEU HB2 3.000 . 3.500 3.541 3.519 3.565 0.065 3 0 "[ . 1 . 2]" 1
2078 1 89 TRP HZ2 1 118 LEU HG 2.500 . 2.800 2.742 2.321 2.819 0.019 2 0 "[ . 1 . 2]" 1
2079 1 89 TRP HZ2 1 118 LEU MD2 3.000 . 3.500 3.521 3.500 3.552 0.052 11 0 "[ . 1 . 2]" 1
2080 1 89 TRP HH2 1 118 LEU H 5.000 . 6.000 3.342 3.214 3.452 . 0 0 "[ . 1 . 2]" 1
2081 1 89 TRP HH2 1 118 LEU HA 5.000 . 6.000 4.048 3.864 4.504 . 0 0 "[ . 1 . 2]" 1
2082 1 89 TRP HH2 1 118 LEU HB2 5.000 . 6.000 3.511 3.259 3.672 . 0 0 "[ . 1 . 2]" 1
2083 1 89 TRP HH2 1 118 LEU HG 4.000 . 4.750 2.249 2.155 2.406 . 0 0 "[ . 1 . 2]" 1
2084 1 89 TRP HH2 1 118 LEU MD1 5.000 . 6.000 3.105 2.677 3.253 . 0 0 "[ . 1 . 2]" 1
2085 1 89 TRP HH2 1 118 LEU MD2 5.000 . 6.000 3.848 3.723 4.038 . 0 0 "[ . 1 . 2]" 1
2086 1 89 TRP HZ2 1 119 GLN H 4.000 . 4.750 4.613 4.538 4.697 . 0 0 "[ . 1 . 2]" 1
2087 1 89 TRP HZ2 1 120 GLU QB 5.000 . 6.000 5.947 5.576 6.027 0.027 11 0 "[ . 1 . 2]" 1
2088 1 89 TRP HZ2 1 120 GLU QG 5.000 . 6.000 5.712 4.985 6.014 0.014 17 0 "[ . 1 . 2]" 1
2089 1 92 TYR H 1 113 LEU MD2 4.000 . 4.750 4.166 4.080 4.226 . 0 0 "[ . 1 . 2]" 1
2090 1 92 TYR HB3 1 113 LEU HG 5.000 . 6.000 5.401 5.252 5.539 . 0 0 "[ . 1 . 2]" 1
2091 1 92 TYR HB3 1 113 LEU MD2 5.000 . 6.000 2.796 2.568 3.000 . 0 0 "[ . 1 . 2]" 1
2092 1 92 TYR HB2 1 113 LEU MD2 4.000 . 4.750 2.306 2.241 2.391 . 0 0 "[ . 1 . 2]" 1
2093 1 92 TYR QD 1 113 LEU H 5.000 . 6.000 6.004 5.889 6.034 0.034 7 0 "[ . 1 . 2]" 1
2094 1 92 TYR QD 1 113 LEU HB3 5.000 . 6.000 3.885 3.822 3.949 . 0 0 "[ . 1 . 2]" 1
2095 1 92 TYR QD 1 113 LEU HG 5.000 . 6.000 6.009 5.958 6.037 0.037 11 0 "[ . 1 . 2]" 1
2096 1 92 TYR QD 1 113 LEU MD1 5.000 . 6.000 5.140 4.922 5.282 . 0 0 "[ . 1 . 2]" 1
2097 1 92 TYR QD 1 113 LEU MD2 5.000 . 6.000 3.399 3.288 3.500 . 0 0 "[ . 1 . 2]" 1
2098 1 92 TYR HB3 1 114 ASN HD21 5.000 . 6.000 4.787 4.530 5.339 . 0 0 "[ . 1 . 2]" 1
2099 1 92 TYR HB2 1 114 ASN HD21 5.000 . 6.000 5.707 5.186 6.031 0.031 5 0 "[ . 1 . 2]" 1
2100 1 92 TYR HA 1 116 HIS HD2 5.000 . 6.000 4.945 4.780 5.117 . 0 0 "[ . 1 . 2]" 1
2101 1 92 TYR HB3 1 116 HIS HD2 4.000 . 4.750 2.679 2.529 2.826 . 0 0 "[ . 1 . 2]" 1
2102 1 92 TYR HB2 1 116 HIS HD2 4.000 . 4.750 3.716 3.479 3.838 . 0 0 "[ . 1 . 2]" 1
2103 1 92 TYR QD 1 116 HIS HB3 5.000 . 6.000 2.756 2.629 2.851 . 0 0 "[ . 1 . 2]" 1
2104 1 92 TYR QD 1 116 HIS HB2 5.000 . 6.000 2.736 2.598 2.850 . 0 0 "[ . 1 . 2]" 1
2105 1 92 TYR QD 1 116 HIS HD2 3.000 . 3.500 3.480 3.270 3.532 0.032 3 0 "[ . 1 . 2]" 1
2106 1 92 TYR QD 1 116 HIS HE1 5.000 . 6.000 3.572 3.483 3.677 . 0 0 "[ . 1 . 2]" 1
2107 1 92 TYR QE 1 116 HIS HB3 5.000 . 6.000 2.902 2.753 3.032 . 0 0 "[ . 1 . 2]" 1
2108 1 92 TYR QE 1 116 HIS HE1 4.000 . 4.750 3.811 3.715 3.957 . 0 0 "[ . 1 . 2]" 1
2109 1 94 ASN H 1 113 LEU HG 5.000 . 6.000 5.946 5.774 6.066 0.066 2 0 "[ . 1 . 2]" 1
2110 1 94 ASN H 1 114 ASN HD21 4.000 . 4.750 4.565 4.241 4.780 0.030 2 0 "[ . 1 . 2]" 1
2111 1 94 ASN H 1 114 ASN HD22 4.000 . 4.750 3.510 3.341 3.905 . 0 0 "[ . 1 . 2]" 1
2112 1 94 ASN H 1 114 ASN QB 5.000 . 6.000 5.790 5.612 6.030 0.030 13 0 "[ . 1 . 2]" 1
2113 1 94 ASN HD21 1 114 ASN HD21 3.000 . 3.500 3.431 3.235 3.537 0.037 13 0 "[ . 1 . 2]" 1
2114 1 94 ASN HD21 1 114 ASN HD22 5.000 . 6.000 2.370 2.243 2.640 . 0 0 "[ . 1 . 2]" 1
2115 1 94 ASN HD21 1 114 ASN QB 5.000 . 6.000 4.829 4.601 5.207 . 0 0 "[ . 1 . 2]" 1
2116 1 94 ASN HD22 1 114 ASN HD22 4.000 . 4.750 2.520 1.944 2.982 . 0 0 "[ . 1 . 2]" 1
2117 1 94 ASN QB 1 114 ASN HD22 5.000 . 6.000 4.423 4.258 4.676 . 0 0 "[ . 1 . 2]" 1
2118 1 97 ASN H 1 113 LEU MD2 5.000 . 6.000 6.025 5.913 6.048 0.048 2 0 "[ . 1 . 2]" 1
2119 1 97 ASN HB2 1 113 LEU MD2 4.000 . 4.750 3.549 3.367 4.055 . 0 0 "[ . 1 . 2]" 1
2120 1 97 ASN HD22 1 113 LEU MD1 5.000 . 6.000 5.143 4.926 5.562 . 0 0 "[ . 1 . 2]" 1
2121 1 97 ASN HD22 1 113 LEU MD2 5.000 . 6.000 4.256 4.087 4.624 . 0 0 "[ . 1 . 2]" 1
2122 1 97 ASN HA 1 114 ASN HD21 4.000 . 4.750 3.826 2.665 4.319 . 0 0 "[ . 1 . 2]" 1
2123 1 97 ASN HA 1 114 ASN HD22 4.000 . 4.750 4.109 3.402 4.381 . 0 0 "[ . 1 . 2]" 1
2124 1 97 ASN HB3 1 114 ASN H 3.000 . 3.500 3.483 3.196 3.556 0.056 5 0 "[ . 1 . 2]" 1
2125 1 97 ASN HB3 1 114 ASN HD21 4.000 . 4.750 2.860 1.889 4.192 . 0 0 "[ . 1 . 2]" 1
2126 1 97 ASN HD21 1 114 ASN HD22 5.000 . 6.000 5.066 4.854 5.679 . 0 0 "[ . 1 . 2]" 1
2127 1 98 THR H 1 113 LEU MD2 5.000 . 6.000 4.908 4.488 5.146 . 0 0 "[ . 1 . 2]" 1
2128 1 98 THR H 1 114 ASN H 3.000 . 3.500 3.212 2.695 3.439 . 0 0 "[ . 1 . 2]" 1
2129 1 98 THR H 1 114 ASN HA 4.000 . 4.750 3.958 3.796 4.153 . 0 0 "[ . 1 . 2]" 1
2130 1 98 THR H 1 114 ASN HD21 4.000 . 4.750 3.656 2.228 4.383 . 0 0 "[ . 1 . 2]" 1
2131 1 98 THR H 1 114 ASN HD22 4.000 . 4.750 4.444 3.815 4.745 . 0 0 "[ . 1 . 2]" 1
2132 1 98 THR H 1 114 ASN QB 5.000 . 6.000 1.810 1.775 1.866 0.025 14 0 "[ . 1 . 2]" 1
2133 1 98 THR HB 1 114 ASN H 4.000 . 4.750 3.236 3.019 3.523 . 0 0 "[ . 1 . 2]" 1
2134 1 98 THR HB 1 114 ASN HA 5.000 . 6.000 2.600 2.432 2.755 . 0 0 "[ . 1 . 2]" 1
2135 1 98 THR HB 1 115 GLY H 4.000 . 4.750 4.645 4.495 4.759 0.009 14 0 "[ . 1 . 2]" 1
2136 1 99 VAL H 1 113 LEU HA 5.000 . 6.000 4.995 4.886 5.098 . 0 0 "[ . 1 . 2]" 1
2137 1 99 VAL H 1 114 ASN H 5.000 . 6.000 5.109 5.068 5.158 . 0 0 "[ . 1 . 2]" 1
2138 1 100 GLU H 1 111 ILE MD 5.000 . 6.000 4.966 4.538 5.243 . 0 0 "[ . 1 . 2]" 1
2139 1 100 GLU HA 1 111 ILE MD 5.000 . 6.000 4.833 3.745 5.118 . 0 0 "[ . 1 . 2]" 1
2140 1 100 GLU H 1 112 SER H 3.000 . 3.500 3.255 2.950 3.420 . 0 0 "[ . 1 . 2]" 1
2141 1 100 GLU H 1 112 SER QB 5.000 . 6.000 3.916 3.505 4.409 . 0 0 "[ . 1 . 2]" 1
2142 1 100 GLU HB3 1 112 SER H 4.000 . 4.750 4.307 4.041 4.527 . 0 0 "[ . 1 . 2]" 1
2143 1 100 GLU HB3 1 112 SER QB 5.000 . 6.000 4.132 3.832 4.744 . 0 0 "[ . 1 . 2]" 1
2144 1 100 GLU H 1 113 LEU HA 4.000 . 4.750 3.396 3.245 3.681 . 0 0 "[ . 1 . 2]" 1
2145 1 100 GLU H 1 114 ASN H 5.000 . 6.000 5.380 5.233 5.661 . 0 0 "[ . 1 . 2]" 1
2146 1 101 LEU MD1 1 108 PRO HA 5.000 . 6.000 3.633 3.531 3.729 . 0 0 "[ . 1 . 2]" 1
2147 1 101 LEU MD1 1 108 PRO QB 4.000 . 4.750 1.789 1.769 1.834 0.031 17 0 "[ . 1 . 2]" 1
2148 1 101 LEU MD1 1 108 PRO QG 5.000 . 6.000 2.608 2.413 2.790 . 0 0 "[ . 1 . 2]" 1
2149 1 101 LEU MD2 1 108 PRO QB 4.000 . 4.750 2.303 2.069 2.877 . 0 0 "[ . 1 . 2]" 1
2150 1 101 LEU MD2 1 108 PRO QG 5.000 . 6.000 3.053 2.790 3.389 . 0 0 "[ . 1 . 2]" 1
2151 1 101 LEU HA 1 109 LEU H 5.000 . 6.000 4.761 4.598 4.977 . 0 0 "[ . 1 . 2]" 1
2152 1 101 LEU HA 1 109 LEU MD1 5.000 . 6.000 4.232 4.101 4.438 . 0 0 "[ . 1 . 2]" 1
2153 1 101 LEU MD1 1 109 LEU H 5.000 . 6.000 4.169 3.877 4.392 . 0 0 "[ . 1 . 2]" 1
2154 1 101 LEU MD2 1 109 LEU H 5.000 . 6.000 5.011 4.827 5.450 . 0 0 "[ . 1 . 2]" 1
2155 1 101 LEU HA 1 110 VAL H 5.000 . 6.000 4.543 4.366 4.811 . 0 0 "[ . 1 . 2]" 1
2156 1 101 LEU HA 1 110 VAL HA 4.000 . 4.750 2.223 2.077 2.423 . 0 0 "[ . 1 . 2]" 1
2157 1 101 LEU MD1 1 110 VAL H 5.000 . 6.000 5.459 5.305 5.590 . 0 0 "[ . 1 . 2]" 1
2158 1 101 LEU MD1 1 110 VAL HA 5.000 . 6.000 4.457 4.330 4.557 . 0 0 "[ . 1 . 2]" 1
2159 1 101 LEU MD2 1 110 VAL H 5.000 . 6.000 4.247 4.146 4.359 . 0 0 "[ . 1 . 2]" 1
2160 1 101 LEU MD2 1 110 VAL HA 5.000 . 6.000 3.573 3.314 3.707 . 0 0 "[ . 1 . 2]" 1
2161 1 101 LEU MD2 1 110 VAL HB 5.000 . 6.000 4.692 4.488 4.859 . 0 0 "[ . 1 . 2]" 1
2162 1 101 LEU QB 1 110 VAL HA 3.000 . 3.500 1.805 1.761 1.865 0.039 3 0 "[ . 1 . 2]" 1
2163 1 101 LEU HA 1 111 ILE H 3.000 . 3.500 2.152 2.116 2.196 . 0 0 "[ . 1 . 2]" 1
2164 1 101 LEU HA 1 111 ILE HA 5.000 . 6.000 4.949 4.889 5.008 . 0 0 "[ . 1 . 2]" 1
2165 1 101 LEU HA 1 111 ILE HB 5.000 . 6.000 5.326 5.211 5.450 . 0 0 "[ . 1 . 2]" 1
2166 1 101 LEU HA 1 111 ILE MD 5.000 . 6.000 4.397 1.957 4.690 . 0 0 "[ . 1 . 2]" 1
2167 1 101 LEU MD1 1 111 ILE H 5.000 . 6.000 5.355 5.205 5.504 . 0 0 "[ . 1 . 2]" 1
2168 1 101 LEU MD2 1 111 ILE H 5.000 . 6.000 5.215 5.001 5.367 . 0 0 "[ . 1 . 2]" 1
2169 1 101 LEU H 1 112 SER H 5.000 . 6.000 5.212 5.178 5.232 . 0 0 "[ . 1 . 2]" 1
2170 1 101 LEU HA 1 112 SER H 5.000 . 6.000 3.984 3.848 4.092 . 0 0 "[ . 1 . 2]" 1
2171 1 102 ILE H 1 109 LEU H 3.000 . 3.500 3.027 2.914 3.139 . 0 0 "[ . 1 . 2]" 1
2172 1 102 ILE H 1 109 LEU HB3 4.000 . 4.750 3.425 3.280 3.560 . 0 0 "[ . 1 . 2]" 1
2173 1 102 ILE H 1 109 LEU HB2 4.000 . 4.750 4.665 4.509 4.782 0.032 2 0 "[ . 1 . 2]" 1
2174 1 102 ILE H 1 109 LEU MD2 5.000 . 6.000 5.495 5.360 5.595 . 0 0 "[ . 1 . 2]" 1
2175 1 102 ILE HB 1 109 LEU H 4.000 . 4.750 3.881 3.520 4.162 . 0 0 "[ . 1 . 2]" 1
2176 1 102 ILE HB 1 109 LEU HB3 4.000 . 4.750 4.065 3.606 4.360 . 0 0 "[ . 1 . 2]" 1
2177 1 102 ILE MD 1 109 LEU H 5.000 . 6.000 3.912 3.021 4.540 . 0 0 "[ . 1 . 2]" 1
2178 1 102 ILE H 1 110 VAL HA 4.000 . 4.750 3.785 3.698 3.937 . 0 0 "[ . 1 . 2]" 1
2179 1 102 ILE H 1 111 ILE MD 5.000 . 6.000 5.263 2.540 5.667 . 0 0 "[ . 1 . 2]" 1
2180 1 102 ILE MD 1 111 ILE MD 5.000 . 6.000 3.875 2.819 4.573 . 0 0 "[ . 1 . 2]" 1
2181 1 103 HIS HB2 1 108 PRO HA 5.000 . 6.000 4.829 4.788 4.903 . 0 0 "[ . 1 . 2]" 1
2182 1 103 HIS HD2 1 108 PRO HA 5.000 . 6.000 5.044 4.686 5.327 . 0 0 "[ . 1 . 2]" 1
2183 1 103 HIS HD2 1 108 PRO QB 4.000 . 4.750 3.852 3.561 4.087 . 0 0 "[ . 1 . 2]" 1
2184 1 103 HIS HD2 1 108 PRO QG 4.000 . 4.750 4.794 4.780 4.804 0.054 20 0 "[ . 1 . 2]" 1
2185 1 103 HIS HE1 1 108 PRO QG 3.000 . 3.500 3.321 3.065 3.525 0.025 3 0 "[ . 1 . 2]" 1
2186 1 103 HIS HA 1 109 LEU H 4.000 . 4.750 3.501 3.384 3.611 . 0 0 "[ . 1 . 2]" 1
2187 1 104 THR H 1 109 LEU H 3.000 . 3.500 3.516 3.489 3.533 0.033 5 0 "[ . 1 . 2]" 1
2188 1 104 THR MG 1 109 LEU H 4.000 . 4.750 2.504 2.408 2.618 . 0 0 "[ . 1 . 2]" 1
2189 1 104 THR MG 1 109 LEU HB3 3.000 . 3.500 3.345 3.219 3.474 . 0 0 "[ . 1 . 2]" 1
2190 1 111 ILE HA 1 118 LEU MD2 5.000 . 6.000 4.190 4.086 4.561 . 0 0 "[ . 1 . 2]" 1
2191 1 112 SER HA 1 117 THR H 5.000 . 6.000 4.903 4.772 4.977 . 0 0 "[ . 1 . 2]" 1
2192 1 112 SER HA 1 117 THR HA 5.000 . 6.000 2.220 1.998 2.345 . 0 0 "[ . 1 . 2]" 1
2193 1 112 SER HA 1 117 THR MG 4.000 . 4.750 3.620 2.923 3.814 . 0 0 "[ . 1 . 2]" 1
2194 1 112 SER QB 1 117 THR H 5.000 . 6.000 5.301 5.118 5.472 . 0 0 "[ . 1 . 2]" 1
2195 1 112 SER QB 1 117 THR HA 5.000 . 6.000 2.998 2.862 3.137 . 0 0 "[ . 1 . 2]" 1
2196 1 112 SER QB 1 117 THR HB 5.000 . 6.000 3.559 3.222 3.780 . 0 0 "[ . 1 . 2]" 1
2197 1 112 SER QB 1 117 THR MG 3.000 . 3.500 2.648 1.855 2.992 . 0 0 "[ . 1 . 2]" 1
2198 1 112 SER HA 1 118 LEU H 5.000 . 6.000 3.116 3.013 3.265 . 0 0 "[ . 1 . 2]" 1
2199 1 112 SER QB 1 119 GLN H 5.000 . 6.000 5.812 5.024 6.023 0.023 3 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 87
_Distance_constraint_stats_list.Viol_count 708
_Distance_constraint_stats_list.Viol_total 953.690
_Distance_constraint_stats_list.Viol_max 1.658
_Distance_constraint_stats_list.Viol_rms 0.1700
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0274
_Distance_constraint_stats_list.Viol_average_violations_only 0.0674
_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 7 GLN 0.036 0.012 5 0 "[ . 1 . 2]"
1 9 ARG 0.854 0.064 9 0 "[ . 1 . 2]"
1 11 LEU 0.497 0.040 8 0 "[ . 1 . 2]"
1 12 THR 0.477 0.034 11 0 "[ . 1 . 2]"
1 13 PRO 0.017 0.008 1 0 "[ . 1 . 2]"
1 14 GLU 0.179 0.027 7 0 "[ . 1 . 2]"
1 15 GLU 0.643 0.034 11 0 "[ . 1 . 2]"
1 16 ARG 0.138 0.023 12 0 "[ . 1 . 2]"
1 17 SER 0.399 0.037 17 0 "[ . 1 . 2]"
1 18 ALA 0.641 0.092 7 0 "[ . 1 . 2]"
1 19 VAL 0.414 0.024 16 0 "[ . 1 . 2]"
1 20 GLU 0.146 0.023 12 0 "[ . 1 . 2]"
1 21 ASN 0.602 0.037 17 0 "[ . 1 . 2]"
1 22 TYR 0.691 0.092 7 0 "[ . 1 . 2]"
1 23 LEU 0.248 0.024 16 0 "[ . 1 . 2]"
1 24 GLU 0.008 0.006 11 0 "[ . 1 . 2]"
1 25 SER 0.220 0.023 14 0 "[ . 1 . 2]"
1 26 LEU 0.228 0.051 11 0 "[ . 1 . 2]"
1 50 GLU 0.077 0.009 15 0 "[ . 1 . 2]"
1 52 ASN 0.497 0.040 8 0 "[ . 1 . 2]"
1 54 VAL 0.854 0.064 9 0 "[ . 1 . 2]"
1 55 MET 0.887 0.049 17 0 "[ . 1 . 2]"
1 56 MET 0.036 0.012 5 0 "[ . 1 . 2]"
1 57 LEU 0.036 0.010 3 0 "[ . 1 . 2]"
1 59 HIS 31.831 1.658 16 20 [*-*************+****]
1 62 THR 0.131 0.024 20 0 "[ . 1 . 2]"
1 64 TYR 0.167 0.031 5 0 "[ . 1 . 2]"
1 75 ARG 0.167 0.031 5 0 "[ . 1 . 2]"
1 76 TYR 3.210 0.140 3 0 "[ . 1 . 2]"
1 77 TYR 0.131 0.024 20 0 "[ . 1 . 2]"
1 78 LEU 0.318 0.029 4 0 "[ . 1 . 2]"
1 79 ASP 31.831 1.658 16 20 [*-*************+****]
1 81 VAL 0.318 0.029 4 0 "[ . 1 . 2]"
1 83 VAL 3.210 0.140 3 0 "[ . 1 . 2]"
1 84 HIS 0.239 0.027 5 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 TRP 0.558 0.026 8 0 "[ . 1 . 2]"
1 92 TYR 0.408 0.026 8 0 "[ . 1 . 2]"
1 93 ILE 0.149 0.025 10 0 "[ . 1 . 2]"
1 94 ASN 0.639 0.073 18 0 "[ . 1 . 2]"
1 97 ASN 0.639 0.073 18 0 "[ . 1 . 2]"
1 98 THR 1.632 0.098 17 0 "[ . 1 . 2]"
1 99 VAL 0.036 0.010 3 0 "[ . 1 . 2]"
1 100 GLU 0.953 0.057 5 0 "[ . 1 . 2]"
1 101 LEU 0.887 0.049 17 0 "[ . 1 . 2]"
1 102 ILE 0.821 0.069 8 0 "[ . 1 . 2]"
1 103 HIS 0.077 0.009 15 0 "[ . 1 . 2]"
1 104 THR 1.563 0.094 18 0 "[ . 1 . 2]"
1 107 LEU 1.563 0.094 18 0 "[ . 1 . 2]"
1 108 PRO 0.223 0.027 5 0 "[ . 1 . 2]"
1 109 LEU 0.821 0.069 8 0 "[ . 1 . 2]"
1 110 VAL 0.016 0.006 18 0 "[ . 1 . 2]"
1 111 ILE 0.233 0.030 18 0 "[ . 1 . 2]"
1 112 SER 0.953 0.057 5 0 "[ . 1 . 2]"
1 113 LEU 0.478 0.060 7 0 "[ . 1 . 2]"
1 114 ASN 1.632 0.098 17 0 "[ . 1 . 2]"
1 116 HIS 0.478 0.060 7 0 "[ . 1 . 2]"
1 118 LEU 0.233 0.030 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ARG H 1 54 VAL O 1.950 . 2.100 2.091 2.011 2.124 0.024 9 0 "[ . 1 . 2]" 2
2 1 9 ARG N 1 54 VAL O 2.900 2.700 3.100 2.954 2.877 3.019 . 0 0 "[ . 1 . 2]" 2
3 1 11 LEU H 1 52 ASN O 1.950 . 2.100 1.808 1.760 1.911 0.040 8 0 "[ . 1 . 2]" 2
4 1 11 LEU N 1 52 ASN O 2.900 2.700 3.100 2.719 2.661 2.847 0.039 14 0 "[ . 1 . 2]" 2
5 1 12 THR H 1 15 GLU OE1 1.950 . 2.100 2.096 1.983 2.122 0.022 7 0 "[ . 1 . 2]" 2
6 1 12 THR N 1 15 GLU OE1 2.900 2.700 3.100 3.010 2.898 3.059 . 0 0 "[ . 1 . 2]" 2
7 1 12 THR OG1 1 15 GLU H 1.950 . 2.100 2.118 2.107 2.134 0.034 11 0 "[ . 1 . 2]" 2
8 1 12 THR OG1 1 15 GLU N 2.900 2.700 3.100 3.050 2.995 3.081 . 0 0 "[ . 1 . 2]" 2
9 1 13 PRO O 1 17 SER H 1.950 . 2.100 2.034 1.866 2.108 0.008 1 0 "[ . 1 . 2]" 2
10 1 13 PRO O 1 17 SER N 2.900 2.700 3.100 2.859 2.699 3.020 0.001 3 0 "[ . 1 . 2]" 2
11 1 14 GLU O 1 18 ALA H 1.950 . 2.100 2.108 2.088 2.127 0.027 7 0 "[ . 1 . 2]" 2
12 1 14 GLU O 1 18 ALA N 2.900 2.700 3.100 3.035 2.965 3.098 . 0 0 "[ . 1 . 2]" 2
13 1 15 GLU O 1 19 VAL H 1.950 . 2.100 2.108 2.100 2.123 0.023 11 0 "[ . 1 . 2]" 2
14 1 15 GLU O 1 19 VAL N 2.900 2.700 3.100 3.049 2.983 3.068 . 0 0 "[ . 1 . 2]" 2
15 1 16 ARG O 1 20 GLU H 1.950 . 2.100 2.084 1.972 2.123 0.023 12 0 "[ . 1 . 2]" 2
16 1 16 ARG O 1 20 GLU N 2.900 2.700 3.100 3.022 2.901 3.078 . 0 0 "[ . 1 . 2]" 2
17 1 17 SER O 1 21 ASN H 1.950 . 2.100 2.119 2.109 2.137 0.037 17 0 "[ . 1 . 2]" 2
18 1 17 SER O 1 21 ASN N 2.900 2.700 3.100 2.940 2.844 3.065 . 0 0 "[ . 1 . 2]" 2
19 1 18 ALA O 1 22 TYR H 1.950 . 2.100 1.906 1.756 2.109 0.044 7 0 "[ . 1 . 2]" 2
20 1 18 ALA O 1 22 TYR N 2.900 2.700 3.100 2.722 2.608 2.906 0.092 7 0 "[ . 1 . 2]" 2
21 1 19 VAL O 1 23 LEU H 1.950 . 2.100 1.796 1.776 1.957 0.024 16 0 "[ . 1 . 2]" 2
22 1 19 VAL O 1 23 LEU N 2.900 2.700 3.100 2.756 2.716 2.908 . 0 0 "[ . 1 . 2]" 2
23 1 20 GLU O 1 24 GLU H 1.950 . 2.100 2.010 1.854 2.106 0.006 11 0 "[ . 1 . 2]" 2
24 1 20 GLU O 1 24 GLU N 2.900 2.700 3.100 2.877 2.746 2.972 . 0 0 "[ . 1 . 2]" 2
25 1 21 ASN O 1 25 SER H 1.950 . 2.100 2.109 2.063 2.123 0.023 14 0 "[ . 1 . 2]" 2
26 1 21 ASN O 1 25 SER N 2.900 2.700 3.100 3.029 2.963 3.062 . 0 0 "[ . 1 . 2]" 2
27 1 22 TYR O 1 26 LEU H 1.950 . 2.100 2.083 1.990 2.151 0.051 11 0 "[ . 1 . 2]" 2
28 1 22 TYR O 1 26 LEU N 2.900 2.700 3.100 2.846 2.707 2.984 . 0 0 "[ . 1 . 2]" 2
29 1 9 ARG O 1 54 VAL H 1.950 . 2.100 1.815 1.744 1.902 0.056 9 0 "[ . 1 . 2]" 2
30 1 9 ARG O 1 54 VAL N 2.900 2.700 3.100 2.677 2.636 2.779 0.064 9 0 "[ . 1 . 2]" 2
31 1 55 MET H 1 101 LEU O 1.950 . 2.100 1.777 1.751 1.799 0.049 17 0 "[ . 1 . 2]" 2
32 1 55 MET N 1 101 LEU O 2.900 2.700 3.100 2.687 2.654 2.718 0.046 19 0 "[ . 1 . 2]" 2
33 1 7 GLN O 1 56 MET H 1.950 . 2.100 1.858 1.788 1.975 0.012 5 0 "[ . 1 . 2]" 2
34 1 7 GLN O 1 56 MET N 2.900 2.700 3.100 2.812 2.732 2.944 . 0 0 "[ . 1 . 2]" 2
35 1 57 LEU H 1 99 VAL O 1.950 . 2.100 1.897 1.790 2.101 0.010 3 0 "[ . 1 . 2]" 2
36 1 57 LEU N 1 99 VAL O 2.900 2.700 3.100 2.829 2.728 2.996 . 0 0 "[ . 1 . 2]" 2
37 1 59 HIS NE2 1 79 ASP OD1 2.900 2.700 3.100 4.692 4.570 4.758 1.658 16 20 [*-*************+****] 2
38 1 62 THR H 1 77 TYR O 1.950 . 2.100 1.823 1.776 1.912 0.024 20 0 "[ . 1 . 2]" 2
39 1 62 THR N 1 77 TYR O 2.900 2.700 3.100 2.772 2.687 2.869 0.013 15 0 "[ . 1 . 2]" 2
40 1 64 TYR O 1 75 ARG H 1.950 . 2.100 2.069 1.915 2.131 0.031 5 0 "[ . 1 . 2]" 2
41 1 64 TYR O 1 75 ARG N 2.900 2.700 3.100 2.951 2.795 3.030 . 0 0 "[ . 1 . 2]" 2
42 1 76 TYR H 1 83 VAL O 1.950 . 2.100 2.218 2.176 2.240 0.140 3 0 "[ . 1 . 2]" 2
43 1 76 TYR N 1 83 VAL O 2.900 2.700 3.100 2.995 2.924 3.053 . 0 0 "[ . 1 . 2]" 2
44 1 62 THR O 1 77 TYR H 1.950 . 2.100 1.966 1.819 2.096 . 0 0 "[ . 1 . 2]" 2
45 1 62 THR O 1 77 TYR N 2.900 2.700 3.100 2.825 2.684 2.947 0.016 2 0 "[ . 1 . 2]" 2
46 1 78 LEU H 1 81 VAL O 1.950 . 2.100 1.994 1.874 2.069 . 0 0 "[ . 1 . 2]" 2
47 1 78 LEU N 1 81 VAL O 2.900 2.700 3.100 2.696 2.671 2.754 0.029 4 0 "[ . 1 . 2]" 2
48 1 78 LEU O 1 81 VAL H 1.950 . 2.100 2.105 2.080 2.120 0.020 8 0 "[ . 1 . 2]" 2
49 1 78 LEU O 1 81 VAL N 2.900 2.700 3.100 3.009 2.982 3.029 . 0 0 "[ . 1 . 2]" 2
50 1 76 TYR O 1 83 VAL H 1.950 . 2.100 1.762 1.748 1.782 0.052 7 0 "[ . 1 . 2]" 2
51 1 76 TYR O 1 83 VAL N 2.900 2.700 3.100 2.704 2.676 2.734 0.024 18 0 "[ . 1 . 2]" 2
52 1 84 HIS H 1 108 PRO O 1.950 . 2.100 2.077 1.930 2.127 0.027 5 0 "[ . 1 . 2]" 2
53 1 84 HIS N 1 108 PRO O 2.900 2.700 3.100 3.056 2.900 3.110 0.010 5 0 "[ . 1 . 2]" 2
54 1 86 PRO O 1 89 TRP H 1.950 . 2.100 1.951 1.882 1.999 . 0 0 "[ . 1 . 2]" 2
55 1 86 PRO O 1 89 TRP N 2.900 2.700 3.100 2.922 2.859 2.956 . 0 0 "[ . 1 . 2]" 2
56 1 89 TRP O 1 92 TYR H 1.950 . 2.100 2.110 2.103 2.116 0.016 3 0 "[ . 1 . 2]" 2
57 1 89 TRP O 1 92 TYR N 2.900 2.700 3.100 2.697 2.674 2.771 0.026 8 0 "[ . 1 . 2]" 2
58 1 89 TRP O 1 93 ILE H 1.950 . 2.100 2.042 1.896 2.115 0.015 1 0 "[ . 1 . 2]" 2
59 1 89 TRP O 1 93 ILE N 2.900 2.700 3.100 2.723 2.675 2.783 0.025 10 0 "[ . 1 . 2]" 2
60 1 94 ASN H 1 97 ASN OD1 1.950 . 2.100 1.965 1.727 2.056 0.073 18 0 "[ . 1 . 2]" 2
61 1 94 ASN N 1 97 ASN OD1 2.900 2.700 3.100 2.679 2.659 2.703 0.041 6 0 "[ . 1 . 2]" 2
62 1 57 LEU O 1 99 VAL H 1.950 . 2.100 1.829 1.794 1.878 0.006 11 0 "[ . 1 . 2]" 2
63 1 57 LEU O 1 99 VAL N 2.900 2.700 3.100 2.777 2.738 2.815 . 0 0 "[ . 1 . 2]" 2
64 1 100 GLU H 1 112 SER O 1.950 . 2.100 2.112 2.056 2.129 0.029 2 0 "[ . 1 . 2]" 2
65 1 100 GLU N 1 112 SER O 2.900 2.700 3.100 3.086 3.026 3.107 0.007 2 0 "[ . 1 . 2]" 2
66 1 55 MET O 1 101 LEU H 1.950 . 2.100 1.829 1.779 1.927 0.021 20 0 "[ . 1 . 2]" 2
67 1 55 MET O 1 101 LEU N 2.900 2.700 3.100 2.747 2.693 2.840 0.007 5 0 "[ . 1 . 2]" 2
68 1 102 ILE H 1 109 LEU O 1.950 . 2.100 1.976 1.907 2.040 . 0 0 "[ . 1 . 2]" 2
69 1 102 ILE N 1 109 LEU O 2.900 2.700 3.100 2.906 2.840 2.980 . 0 0 "[ . 1 . 2]" 2
70 1 50 GLU OE1 1 103 HIS H 1.950 . 2.100 2.019 1.799 2.109 0.009 15 0 "[ . 1 . 2]" 2
71 1 50 GLU OE1 1 103 HIS N 2.900 2.700 3.100 2.904 2.706 3.016 . 0 0 "[ . 1 . 2]" 2
72 1 104 THR H 1 107 LEU O 1.950 . 2.100 2.178 2.155 2.194 0.094 18 0 "[ . 1 . 2]" 2
73 1 104 THR N 1 107 LEU O 2.900 2.700 3.100 3.076 3.044 3.111 0.011 8 0 "[ . 1 . 2]" 2
74 1 102 ILE O 1 109 LEU H 1.950 . 2.100 1.874 1.764 2.055 0.036 14 0 "[ . 1 . 2]" 2
75 1 102 ILE O 1 109 LEU N 2.900 2.700 3.100 2.669 2.631 2.698 0.069 8 0 "[ . 1 . 2]" 2
76 1 84 HIS O 1 110 VAL H 1.950 . 2.100 2.054 1.980 2.106 0.006 18 0 "[ . 1 . 2]" 2
77 1 84 HIS O 1 110 VAL N 2.900 2.700 3.100 3.004 2.931 3.056 . 0 0 "[ . 1 . 2]" 2
78 1 100 GLU O 1 112 SER H 1.950 . 2.100 2.131 2.115 2.157 0.057 5 0 "[ . 1 . 2]" 2
79 1 100 GLU O 1 112 SER N 2.900 2.700 3.100 3.084 3.061 3.132 0.032 5 0 "[ . 1 . 2]" 2
80 1 113 LEU H 1 116 HIS O 1.950 . 2.100 1.944 1.740 2.087 0.060 7 0 "[ . 1 . 2]" 2
81 1 113 LEU N 1 116 HIS O 2.900 2.700 3.100 2.918 2.696 3.067 0.004 7 0 "[ . 1 . 2]" 2
82 1 98 THR O 1 114 ASN H 1.950 . 2.100 2.181 2.168 2.198 0.098 17 0 "[ . 1 . 2]" 2
83 1 98 THR O 1 114 ASN N 2.900 2.700 3.100 2.747 2.691 2.807 0.009 3 0 "[ . 1 . 2]" 2
84 1 113 LEU O 1 116 HIS H 1.950 . 2.100 1.798 1.762 1.826 0.038 3 0 "[ . 1 . 2]" 2
85 1 113 LEU O 1 116 HIS N 2.900 2.700 3.100 2.691 2.668 2.731 0.032 13 0 "[ . 1 . 2]" 2
86 1 111 ILE O 1 118 LEU H 1.950 . 2.100 2.087 1.946 2.130 0.030 18 0 "[ . 1 . 2]" 2
87 1 111 ILE O 1 118 LEU N 2.900 2.700 3.100 3.008 2.886 3.061 . 0 0 "[ . 1 . 2]" 2
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