NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370943 |
1bzf   |
4262 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bzf
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 1797
_Distance_constraint_stats_list.Viol_count 223
_Distance_constraint_stats_list.Viol_total 21.166
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0043
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 ALA 0.005 0.005 18 0 "[ . 1 . 2 ]"
1 3 PHE 0.052 0.008 19 0 "[ . 1 . 2 ]"
1 4 LEU 0.023 0.006 15 0 "[ . 1 . 2 ]"
1 5 TRP 0.043 0.006 9 0 "[ . 1 . 2 ]"
1 6 ALA 0.029 0.009 18 0 "[ . 1 . 2 ]"
1 7 GLN 0.025 0.006 9 0 "[ . 1 . 2 ]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 ARG 0.002 0.002 19 0 "[ . 1 . 2 ]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ILE 0.012 0.004 2 0 "[ . 1 . 2 ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 LYS 0.065 0.009 12 0 "[ . 1 . 2 ]"
1 16 ASP 0.011 0.010 13 0 "[ . 1 . 2 ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 HIS 0.062 0.009 12 0 "[ . 1 . 2 ]"
1 19 LEU 0.024 0.005 12 0 "[ . 1 . 2 ]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 TRP 0.025 0.005 12 0 "[ . 1 . 2 ]"
1 22 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 LEU 0.048 0.005 14 0 "[ . 1 . 2 ]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ASP 0.008 0.004 7 0 "[ . 1 . 2 ]"
1 26 ASP 0.054 0.005 14 0 "[ . 1 . 2 ]"
1 27 LEU 0.060 0.013 19 0 "[ . 1 . 2 ]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 TYR 0.043 0.008 22 0 "[ . 1 . 2 ]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ARG 0.000 0.000 13 0 "[ . 1 . 2 ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 GLN 0.000 0.000 13 0 "[ . 1 . 2 ]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 MET 0.004 0.004 19 0 "[ . 1 . 2 ]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ARG 0.005 0.004 4 0 "[ . 1 . 2 ]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 TYR 0.004 0.004 4 0 "[ . 1 . 2 ]"
1 47 GLU 0.002 0.002 17 0 "[ . 1 . 2 ]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 PRO 0.004 0.002 13 0 "[ . 1 . 2 ]"
1 51 LYS 0.004 0.002 13 0 "[ . 1 . 2 ]"
1 52 ARG 0.002 0.002 17 0 "[ . 1 . 2 ]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 THR 0.001 0.001 20 0 "[ . 1 . 2 ]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 ASP 0.098 0.098 16 0 "[ . 1 . 2 ]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 HIS 0.008 0.002 3 0 "[ . 1 . 2 ]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 VAL 0.004 0.004 19 0 "[ . 1 . 2 ]"
1 96 ILE 0.010 0.004 16 0 "[ . 1 . 2 ]"
1 97 ALA 0.020 0.006 15 0 "[ . 1 . 2 ]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 GLN 0.186 0.094 3 0 "[ . 1 . 2 ]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 PHE 0.014 0.008 19 0 "[ . 1 . 2 ]"
1 104 THR 0.112 0.023 7 0 "[ . 1 . 2 ]"
1 105 ALA 0.040 0.023 7 0 "[ . 1 . 2 ]"
1 106 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 LYS 0.001 0.001 2 0 "[ . 1 . 2 ]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 109 ASP 0.001 0.001 2 0 "[ . 1 . 2 ]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 111 ASP 0.005 0.003 8 0 "[ . 1 . 2 ]"
1 112 THR 0.005 0.003 8 0 "[ . 1 . 2 ]"
1 113 LEU 0.031 0.006 16 0 "[ . 1 . 2 ]"
1 114 LEU 0.065 0.008 22 0 "[ . 1 . 2 ]"
1 115 VAL 0.003 0.001 22 0 "[ . 1 . 2 ]"
1 116 THR 0.025 0.009 18 0 "[ . 1 . 2 ]"
1 117 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 GLY 0.003 0.002 10 0 "[ . 1 . 2 ]"
1 121 SER 0.002 0.002 19 0 "[ . 1 . 2 ]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 125 ASP 0.002 0.002 9 0 "[ . 1 . 2 ]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 127 LYS 0.012 0.004 2 0 "[ . 1 . 2 ]"
1 128 MET 0.011 0.006 11 0 "[ . 1 . 2 ]"
1 129 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 132 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 133 TRP 0.017 0.004 15 0 "[ . 1 . 2 ]"
1 134 ASP 0.019 0.006 2 0 "[ . 1 . 2 ]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 136 PHE 0.043 0.005 20 0 "[ . 1 . 2 ]"
1 137 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 138 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 141 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 142 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 143 THR 0.001 0.001 14 0 "[ . 1 . 2 ]"
1 144 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 145 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 146 ASP 0.010 0.004 13 0 "[ . 1 . 2 ]"
1 147 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 148 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 149 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 150 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 151 LEU 0.003 0.002 10 0 "[ . 1 . 2 ]"
1 152 THR 0.010 0.004 13 0 "[ . 1 . 2 ]"
1 153 HIS 0.015 0.004 13 0 "[ . 1 . 2 ]"
1 154 THR 0.001 0.001 14 0 "[ . 1 . 2 ]"
1 155 TYR 0.001 0.001 12 0 "[ . 1 . 2 ]"
1 156 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 157 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 158 TRP 0.045 0.005 20 0 "[ . 1 . 2 ]"
1 159 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 160 LYS 0.015 0.004 5 0 "[ . 1 . 2 ]"
1 161 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 162 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR MG 1 106 PHE QD 5.500 . 5.500 3.451 2.422 4.340 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 PHE HA 1 103 PHE QE 3.500 . 3.500 3.017 2.564 3.370 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 PHE HA 1 110 VAL QG 5.500 . 5.500 4.332 3.979 4.573 . 0 0 "[ . 1 . 2 ]" 1
4 1 3 PHE HB3 1 103 PHE QE 4.500 . 4.500 3.785 3.516 4.005 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 PHE QD 1 96 ILE HB 3.500 . 4.000 3.766 3.538 3.963 . 0 0 "[ . 1 . 2 ]" 1
6 1 3 PHE QD 1 96 ILE H 4.500 . 4.500 4.438 4.204 4.504 0.004 16 0 "[ . 1 . 2 ]" 1
7 1 3 PHE QD 1 96 ILE QG 4.500 . 4.500 3.637 3.288 3.926 . 0 0 "[ . 1 . 2 ]" 1
8 1 3 PHE QD 1 96 ILE MG 5.500 . 5.500 4.144 3.718 4.480 . 0 0 "[ . 1 . 2 ]" 1
9 1 3 PHE QD 1 103 PHE QD 4.500 . 4.500 2.587 2.362 2.841 . 0 0 "[ . 1 . 2 ]" 1
10 1 3 PHE QD 1 110 VAL MG1 5.500 . 5.500 4.463 4.208 4.651 . 0 0 "[ . 1 . 2 ]" 1
11 1 3 PHE QD 1 110 VAL MG2 3.500 . 3.500 2.140 2.083 2.197 . 0 0 "[ . 1 . 2 ]" 1
12 1 3 PHE QD 1 113 LEU MD2 4.500 . 4.500 3.201 2.990 3.391 . 0 0 "[ . 1 . 2 ]" 1
13 1 3 PHE QD 1 128 MET ME 3.500 . 4.500 3.638 3.461 3.928 . 0 0 "[ . 1 . 2 ]" 1
14 1 3 PHE QD 1 131 LEU MD2 4.500 . 4.500 3.721 3.303 4.165 . 0 0 "[ . 1 . 2 ]" 1
15 1 3 PHE QE 1 96 ILE QG 4.500 . 4.500 3.181 2.701 3.414 . 0 0 "[ . 1 . 2 ]" 1
16 1 3 PHE QE 1 103 PHE HB3 4.500 . 4.500 2.239 2.003 2.653 . 0 0 "[ . 1 . 2 ]" 1
17 1 3 PHE QE 1 103 PHE HB2 5.500 . 5.500 3.853 3.634 4.253 . 0 0 "[ . 1 . 2 ]" 1
18 1 3 PHE QE 1 103 PHE QD 4.500 . 4.500 2.529 2.367 2.700 . 0 0 "[ . 1 . 2 ]" 1
19 1 3 PHE QE 1 106 PHE H 5.500 . 5.500 4.390 4.275 4.605 . 0 0 "[ . 1 . 2 ]" 1
20 1 3 PHE QE 1 106 PHE HB3 3.500 . 3.500 3.130 2.623 3.499 . 0 0 "[ . 1 . 2 ]" 1
21 1 3 PHE QE 1 106 PHE HB2 4.500 . 4.500 3.568 3.208 3.894 . 0 0 "[ . 1 . 2 ]" 1
22 1 3 PHE QE 1 106 PHE QD 5.500 . 6.000 4.749 4.240 5.016 . 0 0 "[ . 1 . 2 ]" 1
23 1 3 PHE QE 1 107 LYS H 5.500 . 5.500 4.306 4.058 4.468 . 0 0 "[ . 1 . 2 ]" 1
24 1 3 PHE QE 1 107 LYS HA 3.500 . 4.000 3.285 3.069 3.571 . 0 0 "[ . 1 . 2 ]" 1
25 1 3 PHE QE 1 110 VAL HB 3.500 . 3.500 2.537 2.321 2.746 . 0 0 "[ . 1 . 2 ]" 1
26 1 3 PHE QE 1 128 MET ME 4.500 . 4.500 4.323 3.966 4.506 0.006 11 0 "[ . 1 . 2 ]" 1
27 1 3 PHE QE 1 129 ILE MD 4.500 . 4.500 3.605 3.294 3.804 . 0 0 "[ . 1 . 2 ]" 1
28 1 3 PHE QE 1 131 LEU MD1 5.500 . 5.500 4.787 4.456 5.042 . 0 0 "[ . 1 . 2 ]" 1
29 1 3 PHE QE 1 131 LEU MD2 4.500 . 4.500 3.691 3.212 3.964 . 0 0 "[ . 1 . 2 ]" 1
30 1 3 PHE HZ 1 103 PHE QD 5.500 . 5.500 3.891 3.678 4.073 . 0 0 "[ . 1 . 2 ]" 1
31 1 3 PHE HZ 1 110 VAL QG 4.500 . 4.500 3.571 3.342 3.861 . 0 0 "[ . 1 . 2 ]" 1
32 1 4 LEU HB3 1 30 PHE QE 10.000 4.500 10.000 4.598 4.558 4.671 . 0 0 "[ . 1 . 2 ]" 1
33 1 4 LEU HG 1 30 PHE QD 4.500 . 5.000 4.793 4.638 4.997 . 0 0 "[ . 1 . 2 ]" 1
34 1 4 LEU HG 1 30 PHE QE 5.500 . 5.500 5.256 5.038 5.451 . 0 0 "[ . 1 . 2 ]" 1
35 1 4 LEU MD1 1 29 TYR QD 5.500 . 5.500 3.517 3.292 3.671 . 0 0 "[ . 1 . 2 ]" 1
36 1 4 LEU MD1 1 29 TYR QE 3.500 . 4.500 2.934 2.781 3.103 . 0 0 "[ . 1 . 2 ]" 1
37 1 4 LEU MD2 1 29 TYR QE 5.500 . 6.500 3.688 3.396 4.005 . 0 0 "[ . 1 . 2 ]" 1
38 1 4 LEU MD1 1 30 PHE QD 5.500 . 5.500 5.170 5.001 5.307 . 0 0 "[ . 1 . 2 ]" 1
39 1 4 LEU MD2 1 30 PHE QD 3.500 . 3.500 2.795 2.667 2.883 . 0 0 "[ . 1 . 2 ]" 1
40 1 4 LEU MD2 1 30 PHE QE 3.500 . 3.500 3.241 2.982 3.399 . 0 0 "[ . 1 . 2 ]" 1
41 1 4 LEU QB 1 95 VAL QG 3.500 . 4.000 2.769 2.388 2.995 . 0 0 "[ . 1 . 2 ]" 1
42 1 4 LEU H 1 103 PHE QD 5.500 . 5.500 4.403 4.217 4.792 . 0 0 "[ . 1 . 2 ]" 1
43 1 4 LEU H 1 103 PHE QE 3.500 . 3.500 2.458 2.279 2.720 . 0 0 "[ . 1 . 2 ]" 1
44 1 5 TRP QB 1 103 PHE QE 3.500 . 3.500 2.785 2.450 2.898 . 0 0 "[ . 1 . 2 ]" 1
45 1 6 ALA HA 1 115 VAL QG 5.500 . 5.500 4.218 3.850 4.417 . 0 0 "[ . 1 . 2 ]" 1
46 1 6 ALA MB 1 19 LEU QD 4.500 . 4.500 2.369 2.038 2.571 . 0 0 "[ . 1 . 2 ]" 1
47 1 7 GLN QB 1 11 GLY QA 3.500 . 4.000 3.803 3.665 3.975 . 0 0 "[ . 1 . 2 ]" 1
48 1 7 GLN QG 1 115 VAL MG1 5.500 . 6.000 4.272 4.148 4.434 . 0 0 "[ . 1 . 2 ]" 1
49 1 7 GLN QG 1 115 VAL MG2 3.500 . 3.500 1.988 1.882 2.130 . 0 0 "[ . 1 . 2 ]" 1
50 1 8 ASP HB3 1 122 PHE QD 3.500 . 3.500 2.883 2.504 3.156 . 0 0 "[ . 1 . 2 ]" 1
51 1 8 ASP HB2 1 122 PHE QD 3.500 . 4.000 3.362 3.187 3.500 . 0 0 "[ . 1 . 2 ]" 1
52 1 13 ILE HA 1 19 LEU QD 5.500 . 7.000 3.933 3.758 4.248 . 0 0 "[ . 1 . 2 ]" 1
53 1 13 ILE MD 1 103 PHE QD 5.500 . 6.000 4.699 4.259 5.971 . 0 0 "[ . 1 . 2 ]" 1
54 1 13 ILE MD 1 103 PHE QE 5.500 . 6.000 4.414 3.953 5.999 . 0 0 "[ . 1 . 2 ]" 1
55 1 14 GLY QA 1 20 PRO QD 3.500 . 3.500 2.128 1.904 2.890 . 0 0 "[ . 1 . 2 ]" 1
56 1 15 LYS QB 1 124 GLY QA 3.500 . 3.500 2.390 2.170 2.689 . 0 0 "[ . 1 . 2 ]" 1
57 1 21 TRP HB3 1 122 PHE QE 5.500 . 5.500 3.136 2.916 3.343 . 0 0 "[ . 1 . 2 ]" 1
58 1 21 TRP HE3 1 122 PHE QD 3.500 . 3.500 2.809 2.517 3.027 . 0 0 "[ . 1 . 2 ]" 1
59 1 21 TRP HE3 1 122 PHE QE 5.500 . 5.500 4.373 3.864 4.544 . 0 0 "[ . 1 . 2 ]" 1
60 1 21 TRP HZ3 1 122 PHE QD 4.500 . 4.500 4.145 3.688 4.358 . 0 0 "[ . 1 . 2 ]" 1
61 1 26 ASP HA 1 155 TYR QE 4.500 . 4.500 3.720 3.418 4.076 . 0 0 "[ . 1 . 2 ]" 1
62 1 26 ASP HB2 1 155 TYR QE 5.500 . 5.500 4.231 3.929 4.531 . 0 0 "[ . 1 . 2 ]" 1
63 1 29 TYR HB3 1 155 TYR QE 4.500 . 4.500 3.939 3.575 4.419 . 0 0 "[ . 1 . 2 ]" 1
64 1 29 TYR HB2 1 155 TYR QE 4.500 . 4.500 4.279 3.908 4.477 . 0 0 "[ . 1 . 2 ]" 1
65 1 29 TYR QD 1 155 TYR QD 5.500 . 5.500 4.138 3.835 4.499 . 0 0 "[ . 1 . 2 ]" 1
66 1 29 TYR QD 1 155 TYR QE 4.500 . 4.500 3.334 2.783 4.087 . 0 0 "[ . 1 . 2 ]" 1
67 1 29 TYR QE 1 114 LEU HB3 4.500 . 4.500 4.501 4.492 4.508 0.008 22 0 "[ . 1 . 2 ]" 1
68 1 29 TYR QE 1 114 LEU HB2 5.500 . 6.000 5.525 5.448 5.570 . 0 0 "[ . 1 . 2 ]" 1
69 1 29 TYR QE 1 114 LEU MD1 5.500 . 5.500 3.682 3.462 3.863 . 0 0 "[ . 1 . 2 ]" 1
70 1 29 TYR QE 1 155 TYR QB 4.500 . 4.500 4.488 4.468 4.501 0.001 12 0 "[ . 1 . 2 ]" 1
71 1 29 TYR QE 1 155 TYR QD 5.500 . 5.500 4.036 3.573 4.636 . 0 0 "[ . 1 . 2 ]" 1
72 1 29 TYR QE 1 155 TYR QE 5.500 . 6.000 4.526 3.906 5.155 . 0 0 "[ . 1 . 2 ]" 1
73 1 30 PHE QD 1 54 LEU MD1 5.500 . 5.500 4.166 3.708 4.875 . 0 0 "[ . 1 . 2 ]" 1
74 1 30 PHE QD 1 97 ALA MB 5.500 . 6.500 4.183 3.907 4.430 . 0 0 "[ . 1 . 2 ]" 1
75 1 30 PHE QE 1 39 MET ME 5.500 . 6.500 4.095 3.646 4.371 . 0 0 "[ . 1 . 2 ]" 1
76 1 30 PHE QE 1 41 VAL MG1 5.500 . 6.500 4.328 4.093 4.534 . 0 0 "[ . 1 . 2 ]" 1
77 1 30 PHE QE 1 97 ALA MB 2.500 . 3.500 2.151 1.909 2.484 . 0 0 "[ . 1 . 2 ]" 1
78 1 30 PHE QE 1 54 LEU MD1 3.500 . 3.500 2.682 2.244 3.365 . 0 0 "[ . 1 . 2 ]" 1
79 1 35 VAL QG 1 57 ARG HE 5.500 . 5.500 3.158 2.382 4.272 . 0 0 "[ . 1 . 2 ]" 1
80 1 35 VAL QG 1 57 ARG QB 5.500 . 6.500 3.476 2.666 4.129 . 0 0 "[ . 1 . 2 ]" 1
81 1 38 ILE H 1 95 VAL QG 5.500 . 5.500 3.514 2.977 4.055 . 0 0 "[ . 1 . 2 ]" 1
82 1 38 ILE QG 1 85 TYR QD 5.500 . 5.500 3.722 3.253 4.083 . 0 0 "[ . 1 . 2 ]" 1
83 1 38 ILE QG 1 85 TYR QE 4.500 . 4.500 3.475 3.020 4.022 . 0 0 "[ . 1 . 2 ]" 1
84 1 38 ILE MG 1 85 TYR QD 4.500 . 4.500 3.266 2.808 3.973 . 0 0 "[ . 1 . 2 ]" 1
85 1 38 ILE MG 1 85 TYR QE 5.500 . 5.500 3.818 3.190 4.553 . 0 0 "[ . 1 . 2 ]" 1
86 1 38 ILE MD 1 85 TYR QD 3.500 . 3.500 2.429 2.055 2.737 . 0 0 "[ . 1 . 2 ]" 1
87 1 38 ILE MD 1 85 TYR QE 3.500 . 3.500 3.456 3.290 3.496 . 0 0 "[ . 1 . 2 ]" 1
88 1 39 MET HA 1 95 VAL QG 4.500 . 5.000 3.932 3.652 4.141 . 0 0 "[ . 1 . 2 ]" 1
89 1 39 MET ME 1 57 ARG QD 3.500 . 4.500 3.317 2.758 3.679 . 0 0 "[ . 1 . 2 ]" 1
90 1 40 VAL QG 1 60 VAL QG 4.500 . 4.500 2.221 2.017 2.494 . 0 0 "[ . 1 . 2 ]" 1
91 1 40 VAL QG 1 82 VAL QG 4.500 . 4.500 2.180 1.894 2.360 . 0 0 "[ . 1 . 2 ]" 1
92 1 40 VAL QG 1 96 ILE MD 4.500 . 4.500 2.435 2.318 2.586 . 0 0 "[ . 1 . 2 ]" 1
93 1 41 VAL MG1 1 46 TYR QD 5.500 . 6.500 4.301 3.934 4.527 . 0 0 "[ . 1 . 2 ]" 1
94 1 41 VAL MG2 1 46 TYR QD 3.500 . 3.500 2.253 2.033 2.490 . 0 0 "[ . 1 . 2 ]" 1
95 1 41 VAL MG1 1 49 PHE QD 5.500 4.000 7.500 4.637 4.237 5.151 . 0 0 "[ . 1 . 2 ]" 1
96 1 41 VAL MG2 1 49 PHE QD 5.500 . 5.500 3.868 3.474 4.416 . 0 0 "[ . 1 . 2 ]" 1
97 1 41 VAL QG 1 97 ALA MB 5.500 . 5.500 2.041 1.882 2.339 . 0 0 "[ . 1 . 2 ]" 1
98 1 43 ARG HA 1 68 TYR QE 5.500 . 5.500 4.148 3.518 4.815 . 0 0 "[ . 1 . 2 ]" 1
99 1 43 ARG H 1 61 VAL QG 5.500 . 5.500 3.555 3.314 3.771 . 0 0 "[ . 1 . 2 ]" 1
100 1 43 ARG QB 1 68 TYR QD 5.500 . 6.500 4.051 2.894 4.870 . 0 0 "[ . 1 . 2 ]" 1
101 1 43 ARG QB 1 68 TYR QE 5.500 . 6.500 4.040 2.648 5.208 . 0 0 "[ . 1 . 2 ]" 1
102 1 43 ARG QD 1 68 TYR QD 3.500 . 4.000 3.253 2.467 3.885 . 0 0 "[ . 1 . 2 ]" 1
103 1 43 ARG QD 1 68 TYR QE 4.500 . 4.500 4.056 2.741 4.470 . 0 0 "[ . 1 . 2 ]" 1
104 1 46 TYR QB 1 61 VAL MG1 4.500 . 4.500 2.762 2.356 3.017 . 0 0 "[ . 1 . 2 ]" 1
105 1 46 TYR QB 1 61 VAL MG2 3.500 . 3.500 2.846 2.596 3.209 . 0 0 "[ . 1 . 2 ]" 1
106 1 46 TYR QD 1 52 ARG QG 5.500 . 6.000 4.731 3.420 5.456 . 0 0 "[ . 1 . 2 ]" 1
107 1 46 TYR QD 1 59 ASN HB3 5.500 . 5.500 4.095 3.414 4.736 . 0 0 "[ . 1 . 2 ]" 1
108 1 46 TYR QD 1 61 VAL MG1 5.500 . 5.500 3.767 3.343 3.996 . 0 0 "[ . 1 . 2 ]" 1
109 1 46 TYR QD 1 61 VAL MG2 4.500 . 4.500 2.740 2.362 3.079 . 0 0 "[ . 1 . 2 ]" 1
110 1 46 TYR QD 1 68 TYR QE 4.500 . 4.500 3.085 2.478 3.760 . 0 0 "[ . 1 . 2 ]" 1
111 1 46 TYR QD 1 70 ALA HA 5.500 . 5.500 5.134 4.685 5.456 . 0 0 "[ . 1 . 2 ]" 1
112 1 46 TYR QE 1 70 ALA MB 4.500 . 4.500 2.686 2.019 3.454 . 0 0 "[ . 1 . 2 ]" 1
113 1 46 TYR QE 1 54 LEU H 5.500 . 6.000 3.867 3.409 4.182 . 0 0 "[ . 1 . 2 ]" 1
114 1 49 PHE QB 1 54 LEU MD2 5.500 . 5.500 3.028 2.590 3.524 . 0 0 "[ . 1 . 2 ]" 1
115 1 49 PHE QD 1 54 LEU HG 4.500 . 4.500 4.046 3.775 4.330 . 0 0 "[ . 1 . 2 ]" 1
116 1 49 PHE QD 1 54 LEU MD1 5.500 . 5.500 3.090 2.727 3.407 . 0 0 "[ . 1 . 2 ]" 1
117 1 49 PHE QD 1 54 LEU MD2 5.500 . 5.500 3.557 3.298 3.846 . 0 0 "[ . 1 . 2 ]" 1
118 1 49 PHE QE 1 54 LEU MD1 3.500 . 3.500 2.915 2.645 3.189 . 0 0 "[ . 1 . 2 ]" 1
119 1 49 PHE QE 1 54 LEU MD2 5.500 . 5.500 4.390 4.066 4.630 . 0 0 "[ . 1 . 2 ]" 1
120 1 53 PRO QB 1 59 ASN QD 4.500 . 4.500 3.627 2.769 4.321 . 0 0 "[ . 1 . 2 ]" 1
121 1 60 VAL MG2 1 85 TYR QD 5.500 . 5.500 4.138 3.618 4.639 . 0 0 "[ . 1 . 2 ]" 1
122 1 60 VAL MG2 1 85 TYR QE 5.500 . 6.000 4.545 4.120 5.024 . 0 0 "[ . 1 . 2 ]" 1
123 1 61 VAL HB 1 68 TYR QD 4.500 . 4.500 4.348 4.134 4.481 . 0 0 "[ . 1 . 2 ]" 1
124 1 61 VAL HB 1 68 TYR QE 5.500 . 5.500 4.482 3.853 4.888 . 0 0 "[ . 1 . 2 ]" 1
125 1 61 VAL HB 1 75 VAL QG 3.500 . 3.500 2.677 2.102 2.922 . 0 0 "[ . 1 . 2 ]" 1
126 1 61 VAL QG 1 68 TYR QD 5.500 . 5.500 3.130 2.634 3.432 . 0 0 "[ . 1 . 2 ]" 1
127 1 61 VAL MG1 1 68 TYR QE 4.500 . 4.500 2.912 2.416 3.592 . 0 0 "[ . 1 . 2 ]" 1
128 1 61 VAL MG2 1 68 TYR QE 4.500 . 4.500 3.271 2.882 3.565 . 0 0 "[ . 1 . 2 ]" 1
129 1 63 THR MG 1 68 TYR QD 4.500 . 4.500 3.328 2.643 3.941 . 0 0 "[ . 1 . 2 ]" 1
130 1 68 TYR QD 1 75 VAL HB 5.500 . 6.500 5.936 5.422 6.481 . 0 0 "[ . 1 . 2 ]" 1
131 1 68 TYR QD 1 75 VAL QG 4.500 . 4.500 3.051 2.635 3.454 . 0 0 "[ . 1 . 2 ]" 1
132 1 68 TYR QE 1 75 VAL QG 5.500 . 6.000 3.982 3.423 4.558 . 0 0 "[ . 1 . 2 ]" 1
133 1 70 ALA H 1 75 VAL QG 3.500 . 4.000 2.063 1.711 2.668 . 0 0 "[ . 1 . 2 ]" 1
134 1 70 ALA MB 1 75 VAL QG 4.500 . 4.500 2.103 1.851 2.412 . 0 0 "[ . 1 . 2 ]" 1
135 1 74 VAL QG 1 85 TYR QE 5.500 . 5.500 3.085 2.499 3.340 . 0 0 "[ . 1 . 2 ]" 1
136 1 79 VAL QG 1 105 ALA HA 5.500 . 5.500 3.967 3.461 4.466 . 0 0 "[ . 1 . 2 ]" 1
137 1 79 VAL QG 1 105 ALA MB 4.500 . 4.500 2.796 2.192 3.280 . 0 0 "[ . 1 . 2 ]" 1
138 1 79 VAL QG 1 106 PHE QD 5.500 . 5.500 3.027 2.834 3.315 . 0 0 "[ . 1 . 2 ]" 1
139 1 79 VAL QG 1 106 PHE QE 5.500 . 6.000 2.266 2.042 2.682 . 0 0 "[ . 1 . 2 ]" 1
140 1 79 VAL QG 1 106 PHE HZ 4.500 . 4.500 2.928 2.699 3.165 . 0 0 "[ . 1 . 2 ]" 1
141 1 82 VAL HB 1 106 PHE QD 5.500 . 6.500 4.993 4.776 5.245 . 0 0 "[ . 1 . 2 ]" 1
142 1 82 VAL HB 1 106 PHE QE 3.500 . 3.500 2.762 2.467 3.018 . 0 0 "[ . 1 . 2 ]" 1
143 1 82 VAL MG2 1 106 PHE QE 5.500 . 5.500 3.170 2.905 3.477 . 0 0 "[ . 1 . 2 ]" 1
144 1 86 ALA H 1 94 LEU QD 5.500 . 5.500 4.259 4.021 4.651 . 0 0 "[ . 1 . 2 ]" 1
145 1 86 ALA MB 1 94 LEU QD 3.500 . 3.500 2.551 2.293 2.965 . 0 0 "[ . 1 . 2 ]" 1
146 1 96 ILE HB 1 103 PHE QD 4.500 . 4.500 2.877 2.732 3.075 . 0 0 "[ . 1 . 2 ]" 1
147 1 96 ILE HB 1 103 PHE QE 5.500 . 5.500 2.286 1.999 2.504 . 0 0 "[ . 1 . 2 ]" 1
148 1 96 ILE QG 1 103 PHE QE 5.500 . 5.500 4.101 3.828 4.274 . 0 0 "[ . 1 . 2 ]" 1
149 1 96 ILE QG 1 106 PHE QD 5.500 . 6.000 3.592 3.009 4.024 . 0 0 "[ . 1 . 2 ]" 1
150 1 96 ILE MG 1 103 PHE QD 3.500 . 4.000 2.199 1.951 2.563 . 0 0 "[ . 1 . 2 ]" 1
151 1 96 ILE MG 1 103 PHE QE 3.500 . 3.500 2.388 2.299 2.551 . 0 0 "[ . 1 . 2 ]" 1
152 1 96 ILE MG 1 106 PHE QD 4.500 . 4.500 3.493 2.991 3.946 . 0 0 "[ . 1 . 2 ]" 1
153 1 96 ILE MD 1 106 PHE QD 4.500 . 4.500 2.799 2.350 3.129 . 0 0 "[ . 1 . 2 ]" 1
154 1 96 ILE MD 1 106 PHE QE 4.500 . 4.500 3.441 2.981 3.798 . 0 0 "[ . 1 . 2 ]" 1
155 1 98 GLY H 1 103 PHE QE 5.500 . 5.500 4.026 3.905 4.152 . 0 0 "[ . 1 . 2 ]" 1
156 1 98 GLY QA 1 103 PHE QE 4.500 . 4.500 2.466 2.339 2.590 . 0 0 "[ . 1 . 2 ]" 1
157 1 103 PHE QD 1 128 MET ME 3.500 . 4.000 2.780 2.268 3.135 . 0 0 "[ . 1 . 2 ]" 1
158 1 103 PHE QD 1 129 ILE MD 5.500 . 5.500 4.102 3.907 4.396 . 0 0 "[ . 1 . 2 ]" 1
159 1 103 PHE QE 1 128 MET ME 4.500 . 5.000 3.554 3.151 3.961 . 0 0 "[ . 1 . 2 ]" 1
160 1 110 VAL QG 1 131 LEU MD2 5.500 . 5.500 3.479 3.265 3.584 . 0 0 "[ . 1 . 2 ]" 1
161 1 111 ASP HA 1 136 PHE QD 5.500 . 5.500 4.976 4.416 5.300 . 0 0 "[ . 1 . 2 ]" 1
162 1 111 ASP HA 1 136 PHE QE 4.500 . 4.500 3.045 2.727 3.374 . 0 0 "[ . 1 . 2 ]" 1
163 1 112 THR HA 1 159 GLN QG 4.500 . 4.500 3.300 2.694 3.975 . 0 0 "[ . 1 . 2 ]" 1
164 1 113 LEU H 1 136 PHE QD 5.500 . 5.500 5.042 4.317 5.488 . 0 0 "[ . 1 . 2 ]" 1
165 1 113 LEU H 1 136 PHE QE 5.500 . 6.000 5.253 4.283 5.835 . 0 0 "[ . 1 . 2 ]" 1
166 1 113 LEU HG 1 136 PHE QD 5.500 . 5.500 4.431 4.182 4.795 . 0 0 "[ . 1 . 2 ]" 1
167 1 113 LEU MD1 1 136 PHE QD 4.500 . 4.500 2.690 2.644 2.767 . 0 0 "[ . 1 . 2 ]" 1
168 1 113 LEU MD1 1 136 PHE QE 5.500 . 5.500 2.564 2.428 2.734 . 0 0 "[ . 1 . 2 ]" 1
169 1 113 LEU MD2 1 136 PHE QD 5.500 . 6.500 4.757 4.663 4.838 . 0 0 "[ . 1 . 2 ]" 1
170 1 113 LEU MD2 1 136 PHE QE 5.500 . 5.500 4.046 3.861 4.255 . 0 0 "[ . 1 . 2 ]" 1
171 1 115 VAL MG1 1 158 TRP HE1 3.500 . 3.500 3.453 3.188 3.501 0.001 22 0 "[ . 1 . 2 ]" 1
172 1 115 VAL QG 1 156 GLU QB 4.500 . 4.500 1.901 1.840 2.088 . 0 0 "[ . 1 . 2 ]" 1
173 1 115 VAL QG 1 156 GLU H 5.500 . 5.500 2.997 2.811 3.171 . 0 0 "[ . 1 . 2 ]" 1
174 1 116 THR HA 1 155 TYR QD 4.500 . 4.500 3.768 3.380 4.166 . 0 0 "[ . 1 . 2 ]" 1
175 1 116 THR HG1 1 155 TYR QD 5.500 . 5.500 3.143 2.423 3.811 . 0 0 "[ . 1 . 2 ]" 1
176 1 116 THR HG1 1 155 TYR QE 4.500 . 4.500 2.852 1.908 4.064 . 0 0 "[ . 1 . 2 ]" 1
177 1 116 THR MG 1 155 TYR QE 4.500 . 4.500 2.641 2.229 3.056 . 0 0 "[ . 1 . 2 ]" 1
178 1 116 THR MG 1 155 TYR QD 3.500 . 3.500 3.184 2.738 3.472 . 0 0 "[ . 1 . 2 ]" 1
179 1 120 GLY QA 1 150 ALA MB 3.500 . 3.500 2.016 1.848 2.241 . 0 0 "[ . 1 . 2 ]" 1
180 1 122 PHE QE 1 150 ALA MB 5.500 . 5.500 3.603 3.428 3.772 . 0 0 "[ . 1 . 2 ]" 1
181 1 122 PHE QE 1 151 LEU MD2 5.500 . 5.500 4.214 3.974 4.471 . 0 0 "[ . 1 . 2 ]" 1
182 1 136 PHE QD 1 158 TRP HB3 4.500 . 4.500 3.608 3.070 3.919 . 0 0 "[ . 1 . 2 ]" 1
183 1 136 PHE QD 1 159 GLN HA 4.500 . 5.000 3.581 3.224 3.818 . 0 0 "[ . 1 . 2 ]" 1
184 1 136 PHE QD 1 160 LYS H 4.500 . 4.500 3.185 3.011 3.445 . 0 0 "[ . 1 . 2 ]" 1
185 1 136 PHE QE 1 160 LYS H 5.500 . 5.500 3.300 2.931 3.599 . 0 0 "[ . 1 . 2 ]" 1
186 1 136 PHE QE 1 160 LYS HB2 4.500 . 4.500 2.158 1.997 2.579 . 0 0 "[ . 1 . 2 ]" 1
187 1 139 VAL QG 1 158 TRP HA 5.500 . 5.500 2.899 2.633 3.159 . 0 0 "[ . 1 . 2 ]" 1
188 1 139 VAL QG 1 159 GLN H 5.500 . 5.500 3.258 2.881 3.452 . 0 0 "[ . 1 . 2 ]" 1
189 1 142 ARG QB 1 155 TYR QD 4.500 . 4.500 2.529 2.009 2.886 . 0 0 "[ . 1 . 2 ]" 1
190 1 142 ARG HG3 1 155 TYR QD 5.500 . 5.500 4.482 3.696 5.344 . 0 0 "[ . 1 . 2 ]" 1
191 1 142 ARG HG2 1 155 TYR QD 4.500 . 4.500 3.827 3.538 4.487 . 0 0 "[ . 1 . 2 ]" 1
192 1 144 VAL MG1 1 155 TYR QD 5.500 . 5.500 3.236 2.988 3.447 . 0 0 "[ . 1 . 2 ]" 1
193 1 144 VAL MG1 1 155 TYR QE 3.500 . 3.500 2.195 1.986 2.568 . 0 0 "[ . 1 . 2 ]" 1
194 1 2 ALA H 1 95 VAL HA 3.500 . 3.500 2.801 2.496 3.148 . 0 0 "[ . 1 . 2 ]" 1
195 1 2 ALA HA 1 111 ASP H 4.500 . 4.500 3.876 3.551 4.276 . 0 0 "[ . 1 . 2 ]" 1
196 1 2 ALA HA 1 112 THR H 3.500 . 3.500 2.897 2.653 3.228 . 0 0 "[ . 1 . 2 ]" 1
197 1 2 ALA HA 1 114 LEU H 5.500 . 5.500 5.236 5.013 5.505 0.005 18 0 "[ . 1 . 2 ]" 1
198 1 3 PHE HA 1 96 ILE H 3.500 . 3.500 3.020 2.665 3.438 . 0 0 "[ . 1 . 2 ]" 1
199 1 3 PHE H 1 113 LEU HA 3.500 . 3.500 3.337 3.080 3.506 0.006 16 0 "[ . 1 . 2 ]" 1
200 1 4 LEU HA 1 114 LEU H 3.500 . 3.500 3.385 3.139 3.503 0.003 17 0 "[ . 1 . 2 ]" 1
201 1 5 TRP H 1 115 VAL HA 3.500 . 3.500 3.038 2.867 3.185 . 0 0 "[ . 1 . 2 ]" 1
202 1 6 ALA HA 1 116 THR H 2.500 . 3.000 2.932 2.690 3.009 0.009 18 0 "[ . 1 . 2 ]" 1
203 1 7 GLN H 1 117 ARG HA 4.500 . 4.500 4.111 4.010 4.240 . 0 0 "[ . 1 . 2 ]" 1
204 1 8 ASP H 1 13 ILE HA 4.500 . 4.500 3.903 3.624 4.081 . 0 0 "[ . 1 . 2 ]" 1
205 1 9 ARG H 1 121 SER HA 4.500 . 4.500 4.374 4.097 4.502 0.002 19 0 "[ . 1 . 2 ]" 1
206 1 12 LEU HA 1 128 MET H 4.500 . 4.500 3.879 3.378 4.045 . 0 0 "[ . 1 . 2 ]" 1
207 1 13 ILE H 1 127 LYS HA 3.500 . 3.500 3.400 3.062 3.501 0.001 11 0 "[ . 1 . 2 ]" 1
208 1 14 GLY H 1 124 GLY QA 5.500 . 6.500 4.733 4.418 5.140 . 0 0 "[ . 1 . 2 ]" 1
209 1 14 GLY H 1 127 LYS HA 4.500 . 5.000 4.697 4.559 4.809 . 0 0 "[ . 1 . 2 ]" 1
210 1 15 LYS HA 1 125 ASP H 3.500 . 3.500 3.158 2.990 3.382 . 0 0 "[ . 1 . 2 ]" 1
211 1 36 GLY H 1 57 ARG HA 3.500 . 3.500 3.257 2.898 3.495 . 0 0 "[ . 1 . 2 ]" 1
212 1 37 LYS HA 1 93 GLU H 3.500 . 3.500 2.402 1.960 3.076 . 0 0 "[ . 1 . 2 ]" 1
213 1 38 ILE H 1 94 LEU HA 4.500 . 4.500 3.624 3.235 4.107 . 0 0 "[ . 1 . 2 ]" 1
214 1 39 MET H 1 59 ASN HA 3.500 . 4.500 4.195 3.863 4.486 . 0 0 "[ . 1 . 2 ]" 1
215 1 40 VAL HA 1 60 VAL H 3.500 . 3.500 2.963 2.576 3.489 . 0 0 "[ . 1 . 2 ]" 1
216 1 41 VAL H 1 61 VAL HA 3.500 . 3.500 3.252 3.100 3.359 . 0 0 "[ . 1 . 2 ]" 1
217 1 41 VAL HA 1 98 GLY H 4.500 . 4.500 2.968 2.760 3.183 . 0 0 "[ . 1 . 2 ]" 1
218 1 41 VAL HA 1 99 GLY H 5.500 . 5.500 4.290 4.155 4.637 . 0 0 "[ . 1 . 2 ]" 1
219 1 42 GLY QA 1 99 GLY H 3.500 . 4.500 2.733 2.379 3.157 . 0 0 "[ . 1 . 2 ]" 1
220 1 59 ASN H 1 73 ALA HA 4.500 . 4.500 3.692 3.465 4.151 . 0 0 "[ . 1 . 2 ]" 1
221 1 62 LEU HA 1 76 VAL H 3.500 . 4.000 3.737 3.475 3.962 . 0 0 "[ . 1 . 2 ]" 1
222 1 39 MET HA 1 95 VAL H 4.500 . 4.500 4.065 3.705 4.402 . 0 0 "[ . 1 . 2 ]" 1
223 1 98 GLY QA 1 103 PHE H 5.500 . 5.500 3.929 3.765 4.042 . 0 0 "[ . 1 . 2 ]" 1
224 1 112 THR HA 1 158 TRP H 5.500 . 5.500 4.796 4.323 5.164 . 0 0 "[ . 1 . 2 ]" 1
225 1 113 LEU H 1 159 GLN HA 4.500 . 4.500 3.795 3.511 4.063 . 0 0 "[ . 1 . 2 ]" 1
226 1 115 VAL H 1 157 VAL HA 4.500 . 4.500 4.135 3.985 4.294 . 0 0 "[ . 1 . 2 ]" 1
227 1 116 THR HA 1 154 THR H 5.500 . 5.500 4.090 3.933 4.199 . 0 0 "[ . 1 . 2 ]" 1
228 1 116 THR HA 1 156 GLU H 3.500 . 4.000 3.521 3.267 3.717 . 0 0 "[ . 1 . 2 ]" 1
229 1 117 ARG H 1 155 TYR HA 4.500 . 4.500 4.085 4.019 4.184 . 0 0 "[ . 1 . 2 ]" 1
230 1 119 ALA H 1 151 LEU HA 5.500 . 5.500 5.216 4.974 5.395 . 0 0 "[ . 1 . 2 ]" 1
231 1 119 ALA H 1 153 HIS HA 4.500 . 4.500 3.133 2.979 3.274 . 0 0 "[ . 1 . 2 ]" 1
232 1 120 GLY H 1 150 ALA HA 3.500 . 3.500 3.013 2.741 3.320 . 0 0 "[ . 1 . 2 ]" 1
233 1 120 GLY H 1 151 LEU HA 4.500 . 4.500 4.392 4.135 4.502 0.002 10 0 "[ . 1 . 2 ]" 1
234 1 121 SER H 1 150 ALA HA 5.500 . 5.500 4.899 4.717 5.194 . 0 0 "[ . 1 . 2 ]" 1
235 1 139 VAL H 1 158 TRP HA 3.500 . 3.500 3.093 2.744 3.459 . 0 0 "[ . 1 . 2 ]" 1
236 1 136 PHE HA 1 159 GLN H 5.500 . 5.500 4.437 4.204 4.723 . 0 0 "[ . 1 . 2 ]" 1
237 1 136 PHE HA 1 161 LYS H 3.500 . 3.500 3.069 2.475 3.469 . 0 0 "[ . 1 . 2 ]" 1
238 1 136 PHE H 1 160 LYS HA 4.500 . 5.500 5.476 5.314 5.504 0.004 5 0 "[ . 1 . 2 ]" 1
239 1 137 THR H 1 158 TRP HA 4.500 . 4.500 4.134 3.897 4.399 . 0 0 "[ . 1 . 2 ]" 1
240 1 137 THR H 1 160 LYS HA 4.500 . 4.500 4.114 3.802 4.389 . 0 0 "[ . 1 . 2 ]" 1
241 1 138 LYS HA 1 158 TRP H 5.500 . 5.500 4.738 4.498 5.077 . 0 0 "[ . 1 . 2 ]" 1
242 1 138 LYS HA 1 159 GLN H 4.500 . 4.500 3.923 3.622 4.169 . 0 0 "[ . 1 . 2 ]" 1
243 1 138 LYS H 1 158 TRP HA 5.500 . 5.500 4.589 4.372 4.882 . 0 0 "[ . 1 . 2 ]" 1
244 1 140 SER H 1 158 TRP HA 5.500 . 5.500 4.475 4.282 4.581 . 0 0 "[ . 1 . 2 ]" 1
245 1 143 THR H 1 154 THR HA 5.500 . 5.500 5.034 4.884 5.130 . 0 0 "[ . 1 . 2 ]" 1
246 1 144 VAL H 1 154 THR HA 3.500 . 3.500 3.158 3.042 3.297 . 0 0 "[ . 1 . 2 ]" 1
247 1 145 GLU HA 1 153 HIS H 4.500 . 4.500 3.643 3.397 3.740 . 0 0 "[ . 1 . 2 ]" 1
248 1 146 ASP H 1 152 THR HA 4.500 . 4.500 2.490 2.216 2.649 . 0 0 "[ . 1 . 2 ]" 1
249 1 2 ALA H 1 96 ILE H 3.500 . 4.000 3.551 3.107 3.935 . 0 0 "[ . 1 . 2 ]" 1
250 1 3 PHE H 1 112 THR H 5.500 . 5.500 3.822 3.494 4.077 . 0 0 "[ . 1 . 2 ]" 1
251 1 3 PHE H 1 114 LEU H 5.500 . 5.500 3.737 3.479 4.042 . 0 0 "[ . 1 . 2 ]" 1
252 1 4 LEU H 1 96 ILE H 5.500 . 5.500 4.161 3.984 4.274 . 0 0 "[ . 1 . 2 ]" 1
253 1 4 LEU H 1 97 ALA H 5.500 . 6.500 5.497 5.278 5.567 . 0 0 "[ . 1 . 2 ]" 1
254 1 4 LEU H 1 114 LEU H 5.500 . 5.500 4.778 4.503 4.975 . 0 0 "[ . 1 . 2 ]" 1
255 1 5 TRP H 1 116 THR H 5.500 . 5.500 4.132 3.919 4.264 . 0 0 "[ . 1 . 2 ]" 1
256 1 7 GLN H 1 116 THR H 4.500 . 4.500 3.046 2.968 3.113 . 0 0 "[ . 1 . 2 ]" 1
257 1 9 ARG H 1 118 LEU H 5.500 . 5.500 3.091 2.909 3.430 . 0 0 "[ . 1 . 2 ]" 1
258 1 9 ARG H 1 122 PHE H 5.500 . 5.500 5.353 5.077 5.488 . 0 0 "[ . 1 . 2 ]" 1
259 1 12 LEU HA 1 127 LYS H 5.500 . 5.500 5.162 5.036 5.246 . 0 0 "[ . 1 . 2 ]" 1
260 1 13 ILE H 1 126 THR H 5.500 . 6.500 4.719 4.418 5.003 . 0 0 "[ . 1 . 2 ]" 1
261 1 13 ILE H 1 127 LYS H 5.500 . 5.500 5.365 5.067 5.504 0.004 2 0 "[ . 1 . 2 ]" 1
262 1 14 GLY H 1 125 ASP H 5.500 . 5.500 4.668 4.450 4.897 . 0 0 "[ . 1 . 2 ]" 1
263 1 14 GLY H 1 126 THR H 4.500 . 4.500 4.148 4.017 4.296 . 0 0 "[ . 1 . 2 ]" 1
264 1 15 LYS H 1 125 ASP H 5.500 . 5.500 5.476 5.363 5.502 0.002 9 0 "[ . 1 . 2 ]" 1
265 1 16 ASP H 1 125 ASP H 4.500 . 5.000 4.781 4.549 5.000 0.000 12 0 "[ . 1 . 2 ]" 1
266 1 36 GLY H 1 58 THR H 5.500 . 5.500 5.142 4.639 5.475 . 0 0 "[ . 1 . 2 ]" 1
267 1 38 ILE H 1 95 VAL H 4.500 . 4.500 4.188 3.356 4.499 . 0 0 "[ . 1 . 2 ]" 1
268 1 39 MET H 1 58 THR H 4.500 . 4.500 2.924 2.394 3.551 . 0 0 "[ . 1 . 2 ]" 1
269 1 39 MET H 1 60 VAL H 5.500 . 5.500 4.432 4.040 4.957 . 0 0 "[ . 1 . 2 ]" 1
270 1 40 VAL H 1 95 VAL H 4.500 . 4.500 3.742 3.355 4.237 . 0 0 "[ . 1 . 2 ]" 1
271 1 41 VAL H 1 62 LEU H 4.500 . 4.500 4.175 3.927 4.391 . 0 0 "[ . 1 . 2 ]" 1
272 1 42 GLY H 1 99 GLY H 3.500 . 3.500 2.809 2.631 3.244 . 0 0 "[ . 1 . 2 ]" 1
273 1 63 THR H 1 76 VAL H 5.500 . 5.500 4.600 4.134 4.797 . 0 0 "[ . 1 . 2 ]" 1
274 1 112 THR H 1 160 LYS H 5.500 . 6.000 5.044 4.812 5.361 . 0 0 "[ . 1 . 2 ]" 1
275 1 113 LEU H 1 158 TRP H 3.500 . 3.500 3.084 2.818 3.347 . 0 0 "[ . 1 . 2 ]" 1
276 1 113 LEU H 1 160 LYS H 5.500 . 5.500 5.356 4.938 5.502 0.002 8 0 "[ . 1 . 2 ]" 1
277 1 115 VAL H 1 156 GLU H 5.500 . 5.500 3.622 3.462 3.794 . 0 0 "[ . 1 . 2 ]" 1
278 1 117 ARG H 1 154 THR H 3.500 . 3.500 3.056 2.966 3.163 . 0 0 "[ . 1 . 2 ]" 1
279 1 119 ALA H 1 152 THR H 5.500 . 5.500 3.695 3.488 4.120 . 0 0 "[ . 1 . 2 ]" 1
280 1 119 ALA H 1 153 HIS H 5.500 . 5.500 4.619 4.534 4.789 . 0 0 "[ . 1 . 2 ]" 1
281 1 120 GLY H 1 151 LEU H 5.500 . 5.500 5.068 4.875 5.202 . 0 0 "[ . 1 . 2 ]" 1
282 1 137 THR H 1 159 GLN H 3.500 . 3.500 2.461 2.228 2.773 . 0 0 "[ . 1 . 2 ]" 1
283 1 137 THR H 1 161 LYS H 5.500 . 5.500 4.254 3.786 4.969 . 0 0 "[ . 1 . 2 ]" 1
284 1 139 VAL H 1 157 VAL H 5.500 . 5.500 4.439 4.031 4.881 . 0 0 "[ . 1 . 2 ]" 1
285 1 139 VAL H 1 159 GLN H 5.500 . 5.500 4.691 4.074 5.259 . 0 0 "[ . 1 . 2 ]" 1
286 1 142 ARG H 1 155 TYR H 4.500 . 4.500 3.430 3.122 3.715 . 0 0 "[ . 1 . 2 ]" 1
287 1 144 VAL H 1 153 HIS H 4.500 . 4.500 3.852 3.745 3.969 . 0 0 "[ . 1 . 2 ]" 1
288 1 146 ASP H 1 152 THR H 5.500 . 5.500 4.483 4.190 4.648 . 0 0 "[ . 1 . 2 ]" 1
289 1 1 THR HB 1 111 ASP H 4.500 . 4.500 3.076 2.696 3.507 . 0 0 "[ . 1 . 2 ]" 1
290 1 2 ALA H 1 112 THR HB 5.500 . 6.000 5.382 4.992 5.606 . 0 0 "[ . 1 . 2 ]" 1
291 1 3 PHE H 1 112 THR HB 4.500 . 4.500 3.387 3.016 3.856 . 0 0 "[ . 1 . 2 ]" 1
292 1 3 PHE HB3 1 114 LEU H 5.500 . 5.500 3.893 3.452 4.149 . 0 0 "[ . 1 . 2 ]" 1
293 1 3 PHE HB2 1 114 LEU H 4.500 . 4.500 3.403 3.233 3.637 . 0 0 "[ . 1 . 2 ]" 1
294 1 4 LEU H 1 96 ILE HB 4.500 . 5.000 3.559 3.374 3.815 . 0 0 "[ . 1 . 2 ]" 1
295 1 5 TRP H 1 114 LEU HB3 5.500 . 5.500 4.947 4.861 5.059 . 0 0 "[ . 1 . 2 ]" 1
296 1 5 TRP H 1 114 LEU HB2 4.500 . 4.500 4.318 4.150 4.440 . 0 0 "[ . 1 . 2 ]" 1
297 1 7 GLN H 1 116 THR HB 3.500 . 3.500 3.179 3.057 3.297 . 0 0 "[ . 1 . 2 ]" 1
298 1 13 ILE H 1 126 THR HB 4.500 . 4.500 3.951 3.578 4.315 . 0 0 "[ . 1 . 2 ]" 1
299 1 15 LYS HB3 1 125 ASP H 5.500 . 5.500 4.935 4.255 5.278 . 0 0 "[ . 1 . 2 ]" 1
300 1 15 LYS HB2 1 125 ASP H 4.000 . 4.000 3.441 2.586 3.889 . 0 0 "[ . 1 . 2 ]" 1
301 1 36 GLY H 1 56 GLU HB3 5.500 . 5.500 4.849 3.925 5.495 . 0 0 "[ . 1 . 2 ]" 1
302 1 38 ILE H 1 93 GLU QB 4.500 . 5.500 4.209 3.863 4.585 . 0 0 "[ . 1 . 2 ]" 1
303 1 41 VAL HB 1 46 TYR H 4.500 . 4.500 3.920 3.730 4.125 . 0 0 "[ . 1 . 2 ]" 1
304 1 43 ARG H 1 63 THR HB 4.500 . 4.500 4.424 3.987 4.501 0.001 20 0 "[ . 1 . 2 ]" 1
305 1 59 ASN H 1 73 ALA MB 4.500 . 5.500 4.218 3.951 4.466 . 0 0 "[ . 1 . 2 ]" 1
306 1 61 VAL HB 1 76 VAL H 5.500 . 5.500 3.862 3.628 4.243 . 0 0 "[ . 1 . 2 ]" 1
307 1 111 ASP QB 1 160 LYS H 4.500 . 4.500 3.831 3.753 4.054 . 0 0 "[ . 1 . 2 ]" 1
308 1 113 LEU HB3 1 158 TRP H 5.500 . 5.500 4.357 3.991 4.604 . 0 0 "[ . 1 . 2 ]" 1
309 1 113 LEU HB2 1 158 TRP H 5.500 . 5.500 3.378 3.238 3.483 . 0 0 "[ . 1 . 2 ]" 1
310 1 113 LEU H 1 158 TRP HB3 5.500 . 5.500 4.497 3.972 4.809 . 0 0 "[ . 1 . 2 ]" 1
311 1 113 LEU H 1 158 TRP HB2 4.500 . 4.500 3.224 2.795 3.510 . 0 0 "[ . 1 . 2 ]" 1
312 1 117 ARG QB 1 154 THR H 5.500 . 5.500 3.191 3.088 3.312 . 0 0 "[ . 1 . 2 ]" 1
313 1 119 ALA MB 1 152 THR H 5.500 . 5.500 2.900 2.654 3.249 . 0 0 "[ . 1 . 2 ]" 1
314 1 119 ALA H 1 153 HIS QB 5.500 . 5.500 3.614 3.434 3.887 . 0 0 "[ . 1 . 2 ]" 1
315 1 121 SER H 1 150 ALA MB 4.500 . 5.500 3.970 3.672 4.179 . 0 0 "[ . 1 . 2 ]" 1
316 1 136 PHE QB 1 159 GLN H 5.500 . 5.500 3.373 3.117 3.823 . 0 0 "[ . 1 . 2 ]" 1
317 1 137 THR HB 1 159 GLN H 4.500 . 4.500 3.955 3.714 4.320 . 0 0 "[ . 1 . 2 ]" 1
318 1 137 THR H 1 159 GLN QB 6.000 . 6.000 4.262 4.139 4.484 . 0 0 "[ . 1 . 2 ]" 1
319 1 140 SER H 1 157 VAL HB 4.500 . 4.500 2.977 2.594 3.352 . 0 0 "[ . 1 . 2 ]" 1
320 1 144 VAL HB 1 153 HIS H 5.500 . 6.000 5.773 5.675 5.953 . 0 0 "[ . 1 . 2 ]" 1
321 1 146 ASP HB3 1 152 THR H 5.500 . 5.500 4.661 4.146 5.076 . 0 0 "[ . 1 . 2 ]" 1
322 1 146 ASP HB2 1 152 THR H 4.500 . 5.000 4.891 4.548 5.004 0.004 13 0 "[ . 1 . 2 ]" 1
323 1 146 ASP H 1 152 THR HB 5.500 . 5.500 4.900 3.962 5.164 . 0 0 "[ . 1 . 2 ]" 1
324 1 2 ALA HA 1 112 THR HA 5.500 . 5.500 4.882 4.730 5.032 . 0 0 "[ . 1 . 2 ]" 1
325 1 6 ALA HA 1 115 VAL HA 5.500 . 5.500 4.624 4.307 4.750 . 0 0 "[ . 1 . 2 ]" 1
326 1 7 GLN HA 1 13 ILE HA 2.500 . 3.000 2.233 1.997 2.408 . 0 0 "[ . 1 . 2 ]" 1
327 1 8 ASP HA 1 121 SER HA 5.500 . 6.000 5.682 5.417 5.869 . 0 0 "[ . 1 . 2 ]" 1
328 1 12 LEU HA 1 127 LYS HA 3.500 . 3.500 2.408 2.310 2.513 . 0 0 "[ . 1 . 2 ]" 1
329 1 15 LYS HA 1 124 GLY QA 4.500 . 5.500 3.651 3.427 4.172 . 0 0 "[ . 1 . 2 ]" 1
330 1 35 VAL HA 1 57 ARG HA 5.500 . 5.500 3.857 3.176 4.242 . 0 0 "[ . 1 . 2 ]" 1
331 1 64 HIS HA 1 77 HIS HA 4.500 . 4.500 3.980 3.656 4.379 . 0 0 "[ . 1 . 2 ]" 1
332 1 41 VAL HA 1 98 GLY QA 5.500 . 5.500 4.280 4.110 4.524 . 0 0 "[ . 1 . 2 ]" 1
333 1 41 VAL HA 1 45 THR HA 10.000 5.500 10.000 6.889 6.563 7.229 . 0 0 "[ . 1 . 2 ]" 1
334 1 114 LEU HA 1 157 VAL HA 3.500 . 3.500 2.872 2.768 2.989 . 0 0 "[ . 1 . 2 ]" 1
335 1 116 THR HA 1 155 TYR HA 3.500 . 3.500 2.765 2.632 2.862 . 0 0 "[ . 1 . 2 ]" 1
336 1 118 LEU HA 1 153 HIS HA 3.500 . 3.500 2.456 2.294 2.627 . 0 0 "[ . 1 . 2 ]" 1
337 1 136 PHE HA 1 160 LYS HA 3.500 . 3.500 2.732 2.576 2.926 . 0 0 "[ . 1 . 2 ]" 1
338 1 138 LYS HA 1 158 TRP HA 2.500 . 2.500 2.241 2.042 2.486 . 0 0 "[ . 1 . 2 ]" 1
339 1 143 THR HA 1 154 THR HA 2.500 . 2.500 2.431 2.283 2.501 0.001 14 0 "[ . 1 . 2 ]" 1
340 1 145 GLU HA 1 152 THR HA 3.500 . 3.500 2.832 2.556 2.987 . 0 0 "[ . 1 . 2 ]" 1
341 1 1 THR HA 1 94 LEU HB3 3.500 . 3.500 2.443 2.055 2.927 . 0 0 "[ . 1 . 2 ]" 1
342 1 1 THR HA 1 94 LEU HB2 4.500 . 4.500 3.996 3.512 4.397 . 0 0 "[ . 1 . 2 ]" 1
343 1 1 THR HB 1 110 VAL HA 2.500 . 3.000 2.110 1.997 2.310 . 0 0 "[ . 1 . 2 ]" 1
344 1 2 ALA MB 1 95 VAL HA 3.500 . 4.500 2.476 2.123 2.814 . 0 0 "[ . 1 . 2 ]" 1
345 1 2 ALA HA 1 112 THR HB 3.500 . 3.500 2.490 2.069 2.723 . 0 0 "[ . 1 . 2 ]" 1
346 1 3 PHE HA 1 96 ILE HB 3.500 . 3.500 2.548 2.279 2.845 . 0 0 "[ . 1 . 2 ]" 1
347 1 4 LEU HB3 1 97 ALA HA 3.500 . 3.500 3.488 3.424 3.506 0.006 15 0 "[ . 1 . 2 ]" 1
348 1 4 LEU HA 1 114 LEU HB3 4.500 . 4.500 3.680 3.571 3.813 . 0 0 "[ . 1 . 2 ]" 1
349 1 4 LEU HA 1 114 LEU HB2 2.500 . 3.000 2.481 2.311 2.632 . 0 0 "[ . 1 . 2 ]" 1
350 1 6 ALA HA 1 116 THR HB 2.500 . 2.500 2.198 2.047 2.358 . 0 0 "[ . 1 . 2 ]" 1
351 1 38 ILE HB 1 94 LEU HA 4.500 . 4.500 2.403 2.110 2.715 . 0 0 "[ . 1 . 2 ]" 1
352 1 39 MET HA 1 95 VAL HB 3.500 . 3.500 3.258 2.920 3.504 0.004 19 0 "[ . 1 . 2 ]" 1
353 1 59 ASN HB3 1 73 ALA HA 4.500 . 4.500 4.050 3.450 4.500 . 0 0 "[ . 1 . 2 ]" 1
354 1 59 ASN HB2 1 73 ALA HA 3.500 . 3.500 2.768 2.066 3.316 . 0 0 "[ . 1 . 2 ]" 1
355 1 61 VAL HB 1 75 VAL HA 3.500 . 3.500 2.700 2.545 2.946 . 0 0 "[ . 1 . 2 ]" 1
356 1 64 HIS HA 1 77 HIS QB 5.500 . 6.500 3.457 2.901 4.015 . 0 0 "[ . 1 . 2 ]" 1
357 1 111 ASP HA 1 160 LYS HB3 4.500 . 4.500 3.292 2.802 3.685 . 0 0 "[ . 1 . 2 ]" 1
358 1 111 ASP HA 1 160 LYS HB2 2.500 . 3.000 2.434 2.067 2.856 . 0 0 "[ . 1 . 2 ]" 1
359 1 118 LEU QB 1 153 HIS HA 4.500 . 5.500 4.657 4.516 4.800 . 0 0 "[ . 1 . 2 ]" 1
360 1 119 ALA MB 1 153 HIS HA 5.500 . 5.500 4.068 3.901 4.287 . 0 0 "[ . 1 . 2 ]" 1
361 1 1 THR MG 1 96 ILE MD 2.500 . 4.500 2.911 2.718 3.058 . 0 0 "[ . 1 . 2 ]" 1
362 1 1 THR MG 1 110 VAL HA 3.500 . 4.500 3.248 2.635 3.694 . 0 0 "[ . 1 . 2 ]" 1
363 1 2 ALA HA 1 110 VAL MG2 4.500 . 5.000 3.954 3.904 3.989 . 0 0 "[ . 1 . 2 ]" 1
364 1 2 ALA MB 1 112 THR HB 3.500 . 4.000 2.898 2.497 3.183 . 0 0 "[ . 1 . 2 ]" 1
365 1 3 PHE H 1 110 VAL MG2 3.500 . 4.500 3.186 2.631 3.642 . 0 0 "[ . 1 . 2 ]" 1
366 1 3 PHE HA 1 103 PHE HZ 5.500 . 5.500 5.171 4.680 5.508 0.008 19 0 "[ . 1 . 2 ]" 1
367 1 3 PHE HA 1 96 ILE QG 4.500 . 5.500 3.619 3.254 3.985 . 0 0 "[ . 1 . 2 ]" 1
368 1 3 PHE HA 1 96 ILE MG 4.500 . 5.500 4.095 3.930 4.278 . 0 0 "[ . 1 . 2 ]" 1
369 1 3 PHE HB3 1 113 LEU MD2 4.500 . 5.500 2.760 2.474 3.009 . 0 0 "[ . 1 . 2 ]" 1
370 1 3 PHE HB2 1 113 LEU MD2 3.500 . 4.500 2.090 1.982 2.315 . 0 0 "[ . 1 . 2 ]" 1
371 1 3 PHE HZ 1 106 PHE HB2 4.500 . 4.500 2.832 2.379 3.124 . 0 0 "[ . 1 . 2 ]" 1
372 1 3 PHE HZ 1 107 LYS HA 2.500 . 3.000 2.404 2.098 2.766 . 0 0 "[ . 1 . 2 ]" 1
373 1 3 PHE HZ 1 107 LYS QB 4.500 . 5.500 3.600 3.238 4.051 . 0 0 "[ . 1 . 2 ]" 1
374 1 3 PHE HZ 1 108 ASP H 5.500 . 6.000 4.836 4.659 5.038 . 0 0 "[ . 1 . 2 ]" 1
375 1 3 PHE HZ 1 109 ASP H 5.500 . 5.500 4.759 4.135 5.294 . 0 0 "[ . 1 . 2 ]" 1
376 1 3 PHE HZ 1 110 VAL HB 4.500 . 4.500 3.012 2.745 3.282 . 0 0 "[ . 1 . 2 ]" 1
377 1 3 PHE HZ 1 110 VAL MG1 4.500 . 5.500 4.313 4.142 4.483 . 0 0 "[ . 1 . 2 ]" 1
378 1 3 PHE HZ 1 129 ILE MD 5.500 . 6.500 5.296 5.005 5.374 . 0 0 "[ . 1 . 2 ]" 1
379 1 4 LEU HA 1 114 LEU MD1 4.500 . 5.500 3.966 3.764 4.110 . 0 0 "[ . 1 . 2 ]" 1
380 1 4 LEU MD1 1 97 ALA HA 5.500 . 7.000 5.862 5.774 5.884 . 0 0 "[ . 1 . 2 ]" 1
381 1 4 LEU MD2 1 97 ALA HA 4.500 . 5.500 4.227 3.993 4.369 . 0 0 "[ . 1 . 2 ]" 1
382 1 4 LEU MD1 1 114 LEU QB 2.500 . 4.500 1.677 1.663 1.695 . 0 0 "[ . 1 . 2 ]" 1
383 1 4 LEU H 1 103 PHE HZ 5.500 . 5.500 3.571 3.212 3.779 . 0 0 "[ . 1 . 2 ]" 1
384 1 5 TRP HA 1 103 PHE HZ 5.500 . 5.500 3.590 3.336 3.818 . 0 0 "[ . 1 . 2 ]" 1
385 1 5 TRP QB 1 103 PHE HZ 2.500 . 3.500 2.459 2.188 2.759 . 0 0 "[ . 1 . 2 ]" 1
386 1 5 TRP HD1 1 13 ILE MG 2.500 . 3.500 2.364 2.022 2.650 . 0 0 "[ . 1 . 2 ]" 1
387 1 5 TRP HD1 1 115 VAL MG2 4.500 . 5.500 3.829 3.417 3.970 . 0 0 "[ . 1 . 2 ]" 1
388 1 5 TRP HE1 1 13 ILE MG 4.500 . 5.500 3.931 3.635 4.141 . 0 0 "[ . 1 . 2 ]" 1
389 1 5 TRP HE1 1 115 VAL HB 5.500 . 5.500 3.987 3.587 4.127 . 0 0 "[ . 1 . 2 ]" 1
390 1 5 TRP HE1 1 115 VAL MG2 3.500 . 4.500 2.610 2.090 2.705 . 0 0 "[ . 1 . 2 ]" 1
391 1 5 TRP HE1 1 128 MET ME 5.500 . 7.000 3.582 3.156 4.112 . 0 0 "[ . 1 . 2 ]" 1
392 1 5 TRP HE1 1 128 MET QG 5.500 . 5.500 2.318 2.056 2.722 . 0 0 "[ . 1 . 2 ]" 1
393 1 5 TRP HE1 1 133 TRP HH2 5.500 . 5.500 5.291 5.133 5.418 . 0 0 "[ . 1 . 2 ]" 1
394 1 5 TRP HE3 1 114 LEU H 4.500 . 4.500 4.376 4.153 4.505 0.005 18 0 "[ . 1 . 2 ]" 1
395 1 5 TRP HE3 1 128 MET ME 5.500 . 5.500 4.151 3.327 4.364 . 0 0 "[ . 1 . 2 ]" 1
396 1 5 TRP HZ2 1 113 LEU MD1 5.500 . 6.500 5.058 4.906 5.198 . 0 0 "[ . 1 . 2 ]" 1
397 1 5 TRP HZ2 1 113 LEU MD2 5.500 . 6.000 3.835 3.583 4.179 . 0 0 "[ . 1 . 2 ]" 1
398 1 5 TRP HZ2 1 115 VAL HB 3.500 . 3.500 2.457 2.329 2.651 . 0 0 "[ . 1 . 2 ]" 1
399 1 5 TRP HZ2 1 115 VAL MG2 4.500 . 5.500 2.860 2.688 2.996 . 0 0 "[ . 1 . 2 ]" 1
400 1 5 TRP HZ2 1 128 MET ME 5.500 . 6.000 4.191 3.767 4.396 . 0 0 "[ . 1 . 2 ]" 1
401 1 5 TRP HZ2 1 131 LEU MD1 3.500 . 4.500 2.529 2.414 2.691 . 0 0 "[ . 1 . 2 ]" 1
402 1 5 TRP HZ2 1 133 TRP HZ2 3.500 . 3.500 2.289 2.001 2.625 . 0 0 "[ . 1 . 2 ]" 1
403 1 5 TRP HZ3 1 113 LEU HA 3.500 . 3.500 2.709 2.608 3.057 . 0 0 "[ . 1 . 2 ]" 1
404 1 5 TRP HZ3 1 113 LEU HB3 3.500 . 4.000 3.676 3.308 3.935 . 0 0 "[ . 1 . 2 ]" 1
405 1 5 TRP HZ3 1 113 LEU HB2 5.500 . 5.500 5.042 4.879 5.225 . 0 0 "[ . 1 . 2 ]" 1
406 1 5 TRP HZ3 1 113 LEU MD1 5.500 . 6.500 5.018 4.454 5.102 . 0 0 "[ . 1 . 2 ]" 1
407 1 5 TRP HZ3 1 113 LEU MD2 2.500 . 3.500 2.535 2.041 2.758 . 0 0 "[ . 1 . 2 ]" 1
408 1 5 TRP HZ3 1 114 LEU H 3.500 . 4.500 2.707 2.393 3.531 . 0 0 "[ . 1 . 2 ]" 1
409 1 5 TRP HZ3 1 128 MET ME 5.500 . 6.500 4.948 4.323 5.113 . 0 0 "[ . 1 . 2 ]" 1
410 1 5 TRP HH2 1 113 LEU HB3 2.500 . 2.500 2.200 1.996 2.482 . 0 0 "[ . 1 . 2 ]" 1
411 1 5 TRP HH2 1 113 LEU HB2 4.500 . 4.500 3.950 3.753 4.219 . 0 0 "[ . 1 . 2 ]" 1
412 1 5 TRP HH2 1 113 LEU MD2 3.500 . 4.500 2.137 1.934 2.345 . 0 0 "[ . 1 . 2 ]" 1
413 1 5 TRP HH2 1 115 VAL HB 4.500 . 4.500 3.073 2.942 3.410 . 0 0 "[ . 1 . 2 ]" 1
414 1 5 TRP HH2 1 115 VAL MG2 4.500 . 5.500 4.372 4.233 4.515 . 0 0 "[ . 1 . 2 ]" 1
415 1 5 TRP HH2 1 131 LEU MD1 2.500 . 3.500 2.882 2.314 2.955 . 0 0 "[ . 1 . 2 ]" 1
416 1 6 ALA HA 1 115 VAL MG2 5.500 . 6.500 4.288 3.899 4.502 . 0 0 "[ . 1 . 2 ]" 1
417 1 6 ALA HA 1 116 THR MG 4.500 . 5.500 3.831 3.693 4.020 . 0 0 "[ . 1 . 2 ]" 1
418 1 6 ALA HA 1 118 LEU MD1 6.500 . 6.500 4.425 4.273 4.561 . 0 0 "[ . 1 . 2 ]" 1
419 1 6 ALA MB 1 21 TRP HZ2 2.500 . 3.500 2.123 1.905 2.403 . 0 0 "[ . 1 . 2 ]" 1
420 1 6 ALA MB 1 116 THR HB 5.500 . 5.500 3.002 2.761 3.132 . 0 0 "[ . 1 . 2 ]" 1
421 1 6 ALA MB 1 116 THR MG 5.500 . 6.500 3.538 3.403 3.703 . 0 0 "[ . 1 . 2 ]" 1
422 1 6 ALA MB 1 118 LEU MD1 3.500 . 6.000 3.572 3.364 3.702 . 0 0 "[ . 1 . 2 ]" 1
423 1 7 GLN H 1 21 TRP HH2 5.500 . 5.500 4.508 3.865 4.751 . 0 0 "[ . 1 . 2 ]" 1
424 1 7 GLN H 1 21 TRP HZ2 4.500 . 4.500 4.347 4.169 4.498 . 0 0 "[ . 1 . 2 ]" 1
425 1 7 GLN H 1 118 LEU MD1 4.500 . 5.500 4.136 3.958 4.302 . 0 0 "[ . 1 . 2 ]" 1
426 1 7 GLN H 1 115 VAL MG2 5.500 . 5.500 3.377 3.175 3.521 . 0 0 "[ . 1 . 2 ]" 1
427 1 7 GLN H 1 116 THR MG 6.500 . 6.500 4.388 4.294 4.554 . 0 0 "[ . 1 . 2 ]" 1
428 1 7 GLN HA 1 13 ILE MG 3.500 . 4.500 3.281 3.147 3.519 . 0 0 "[ . 1 . 2 ]" 1
429 1 7 GLN HA 1 21 TRP HZ2 4.500 . 4.500 3.737 3.467 4.108 . 0 0 "[ . 1 . 2 ]" 1
430 1 7 GLN HA 1 21 TRP HH2 3.500 . 3.500 2.242 2.077 2.354 . 0 0 "[ . 1 . 2 ]" 1
431 1 7 GLN HA 1 21 TRP HZ3 5.500 . 5.500 4.126 3.786 4.340 . 0 0 "[ . 1 . 2 ]" 1
432 1 7 GLN QG 1 117 ARG HA 3.500 . 4.500 3.406 3.087 3.770 . 0 0 "[ . 1 . 2 ]" 1
433 1 7 GLN QE 1 117 ARG QG 3.500 . 5.500 2.998 1.930 4.116 . 0 0 "[ . 1 . 2 ]" 1
434 1 8 ASP H 1 21 TRP HZ2 5.500 . 6.500 5.044 4.826 5.263 . 0 0 "[ . 1 . 2 ]" 1
435 1 8 ASP H 1 21 TRP HZ3 4.500 . 4.500 3.459 2.938 3.780 . 0 0 "[ . 1 . 2 ]" 1
436 1 8 ASP H 1 21 TRP HH2 4.500 . 4.500 3.133 2.969 3.301 . 0 0 "[ . 1 . 2 ]" 1
437 1 8 ASP HA 1 118 LEU HB2 3.500 . 3.500 2.574 2.482 2.646 . 0 0 "[ . 1 . 2 ]" 1
438 1 8 ASP HA 1 118 LEU MD1 5.500 . 5.500 3.644 3.509 3.750 . 0 0 "[ . 1 . 2 ]" 1
439 1 8 ASP HA 1 118 LEU MD2 5.500 . 5.500 4.417 4.347 4.473 . 0 0 "[ . 1 . 2 ]" 1
440 1 8 ASP HB3 1 21 TRP HZ3 3.500 . 3.500 3.201 2.464 3.494 . 0 0 "[ . 1 . 2 ]" 1
441 1 8 ASP HB2 1 21 TRP HZ3 5.500 . 5.500 4.520 3.935 4.755 . 0 0 "[ . 1 . 2 ]" 1
442 1 9 ARG QG 1 121 SER H 5.500 . 5.500 4.752 4.489 4.897 . 0 0 "[ . 1 . 2 ]" 1
443 1 9 ARG QG 1 121 SER HA 3.500 . 4.500 3.104 2.878 3.352 . 0 0 "[ . 1 . 2 ]" 1
444 1 12 LEU H 1 127 LYS QG 6.500 . 6.500 5.056 4.705 5.426 . 0 0 "[ . 1 . 2 ]" 1
445 1 12 LEU QB 1 21 TRP HZ3 4.500 . 5.500 2.427 2.188 3.422 . 0 0 "[ . 1 . 2 ]" 1
446 1 12 LEU HG 1 126 THR H 4.500 . 4.500 4.226 3.841 4.492 . 0 0 "[ . 1 . 2 ]" 1
447 1 12 LEU MD1 1 124 GLY H 4.500 . 5.500 2.067 1.718 2.491 . 0 0 "[ . 1 . 2 ]" 1
448 1 12 LEU MD1 1 125 ASP H 4.500 . 5.500 2.620 2.153 3.053 . 0 0 "[ . 1 . 2 ]" 1
449 1 12 LEU MD1 1 126 THR H 4.500 . 5.500 3.255 2.717 3.632 . 0 0 "[ . 1 . 2 ]" 1
450 1 12 LEU MD2 1 21 TRP HZ3 3.500 . 4.500 2.372 2.146 3.064 . 0 0 "[ . 1 . 2 ]" 1
451 1 12 LEU MD2 1 21 TRP HE3 5.500 . 5.500 3.607 3.349 4.371 . 0 0 "[ . 1 . 2 ]" 1
452 1 12 LEU MD2 1 122 PHE QB 2.500 . 4.500 2.907 2.765 3.187 . 0 0 "[ . 1 . 2 ]" 1
453 1 12 LEU MD2 1 124 GLY H 4.500 . 5.500 2.654 2.346 2.997 . 0 0 "[ . 1 . 2 ]" 1
454 1 12 LEU MD2 1 126 THR H 6.500 . 6.500 4.363 4.133 4.705 . 0 0 "[ . 1 . 2 ]" 1
455 1 13 ILE HA 1 21 TRP HH2 3.500 . 4.000 2.706 2.439 3.236 . 0 0 "[ . 1 . 2 ]" 1
456 1 13 ILE HA 1 21 TRP HE3 5.500 . 7.000 6.749 6.530 6.851 . 0 0 "[ . 1 . 2 ]" 1
457 1 13 ILE HA 1 21 TRP HZ2 5.500 . 6.000 4.395 4.107 4.977 . 0 0 "[ . 1 . 2 ]" 1
458 1 13 ILE HA 1 21 TRP HZ3 5.500 . 5.500 4.520 4.221 4.641 . 0 0 "[ . 1 . 2 ]" 1
459 1 13 ILE QG 1 128 MET H 5.500 . 5.500 4.011 3.745 4.820 . 0 0 "[ . 1 . 2 ]" 1
460 1 13 ILE MG 1 21 TRP HZ3 5.500 . 7.000 5.730 5.708 5.775 . 0 0 "[ . 1 . 2 ]" 1
461 1 13 ILE MG 1 128 MET HB2 3.500 . 4.500 1.969 1.907 2.084 . 0 0 "[ . 1 . 2 ]" 1
462 1 13 ILE MD 1 100 ALA H 4.500 . 5.500 4.066 3.618 4.447 . 0 0 "[ . 1 . 2 ]" 1
463 1 13 ILE MD 1 126 THR MG 2.500 . 4.500 1.911 1.822 2.364 . 0 0 "[ . 1 . 2 ]" 1
464 1 14 GLY H 1 20 PRO QD 5.500 . 5.500 4.164 3.995 4.640 . 0 0 "[ . 1 . 2 ]" 1
465 1 14 GLY H 1 126 THR MG 5.500 . 6.500 4.407 3.895 4.763 . 0 0 "[ . 1 . 2 ]" 1
466 1 15 LYS H 1 20 PRO QD 5.500 . 5.500 3.474 3.247 3.763 . 0 0 "[ . 1 . 2 ]" 1
467 1 15 LYS QG 1 125 ASP H 4.500 . 5.500 2.819 2.478 3.212 . 0 0 "[ . 1 . 2 ]" 1
468 1 20 PRO QB 1 122 PHE QB 4.500 . 5.500 2.044 1.964 2.316 . 0 0 "[ . 1 . 2 ]" 1
469 1 21 TRP HB2 1 151 LEU MD2 3.500 . 4.500 3.557 3.260 3.716 . 0 0 "[ . 1 . 2 ]" 1
470 1 21 TRP HD1 1 26 ASP HB3 6.500 . 6.500 5.182 4.816 5.421 . 0 0 "[ . 1 . 2 ]" 1
471 1 21 TRP HD1 1 118 LEU MD2 4.500 . 4.500 3.001 2.802 3.157 . 0 0 "[ . 1 . 2 ]" 1
472 1 21 TRP HD1 1 151 LEU MD2 4.500 . 5.500 4.221 3.976 4.601 . 0 0 "[ . 1 . 2 ]" 1
473 1 21 TRP HE1 1 118 LEU MD1 5.500 . 6.500 3.782 3.622 3.979 . 0 0 "[ . 1 . 2 ]" 1
474 1 21 TRP HE1 1 118 LEU MD2 5.500 . 6.500 3.200 3.006 3.585 . 0 0 "[ . 1 . 2 ]" 1
475 1 21 TRP HE3 1 118 LEU MD2 5.500 . 6.500 3.933 3.638 4.107 . 0 0 "[ . 1 . 2 ]" 1
476 1 21 TRP HE3 1 122 PHE HB3 5.500 . 5.500 2.760 2.489 3.159 . 0 0 "[ . 1 . 2 ]" 1
477 1 21 TRP HE3 1 122 PHE HB2 5.500 . 5.500 2.192 2.018 2.510 . 0 0 "[ . 1 . 2 ]" 1
478 1 21 TRP HZ2 1 118 LEU MD1 4.500 . 5.500 3.956 3.594 4.368 . 0 0 "[ . 1 . 2 ]" 1
479 1 21 TRP HZ2 1 118 LEU MD2 6.000 . 7.000 4.093 3.794 4.570 . 0 0 "[ . 1 . 2 ]" 1
480 1 21 TRP HZ3 1 122 PHE HB2 5.500 . 5.500 3.047 2.843 3.327 . 0 0 "[ . 1 . 2 ]" 1
481 1 22 HIS HD2 1 27 LEU MD1 5.500 . 6.500 5.141 4.838 5.286 . 0 0 "[ . 1 . 2 ]" 1
482 1 22 HIS HE1 1 27 LEU MD1 3.500 . 4.500 3.105 2.931 3.267 . 0 0 "[ . 1 . 2 ]" 1
483 1 22 HIS HE1 1 27 LEU MD2 5.500 . 6.500 5.190 4.954 5.316 . 0 0 "[ . 1 . 2 ]" 1
484 1 23 LEU HG 1 153 HIS HD2 5.500 . 6.000 5.675 5.469 5.829 . 0 0 "[ . 1 . 2 ]" 1
485 1 23 LEU MD1 1 153 HIS HE1 3.500 . 4.500 2.588 2.160 3.282 . 0 0 "[ . 1 . 2 ]" 1
486 1 23 LEU MD1 1 153 HIS HD2 5.500 . 6.500 5.038 4.836 5.204 . 0 0 "[ . 1 . 2 ]" 1
487 1 23 LEU MD1 1 118 LEU MD1 5.500 . 6.000 3.919 3.901 3.959 . 0 0 "[ . 1 . 2 ]" 1
488 1 23 LEU MD2 1 116 THR MG 4.500 . 5.500 2.972 2.743 3.111 . 0 0 "[ . 1 . 2 ]" 1
489 1 23 LEU MD2 1 118 LEU MD1 3.500 . 4.500 2.323 2.223 2.497 . 0 0 "[ . 1 . 2 ]" 1
490 1 23 LEU MD2 1 118 LEU MD2 3.500 . 4.500 2.570 2.409 2.664 . 0 0 "[ . 1 . 2 ]" 1
491 1 23 LEU MD2 1 151 LEU MD2 4.500 . 6.000 3.951 3.843 4.013 . 0 0 "[ . 1 . 2 ]" 1
492 1 23 LEU MD2 1 153 HIS HE1 4.500 . 5.500 2.987 2.834 3.157 . 0 0 "[ . 1 . 2 ]" 1
493 1 23 LEU MD2 1 153 HIS HD2 5.500 . 6.500 3.221 3.086 3.415 . 0 0 "[ . 1 . 2 ]" 1
494 1 25 ASP HB3 1 153 HIS HE1 5.500 3.500 6.500 3.536 3.496 3.608 0.004 7 0 "[ . 1 . 2 ]" 1
495 1 25 ASP HB2 1 153 HIS HE1 4.500 . 5.500 4.127 3.969 4.350 . 0 0 "[ . 1 . 2 ]" 1
496 1 26 ASP HB3 1 116 THR MG 5.500 . 6.500 4.633 4.123 4.809 . 0 0 "[ . 1 . 2 ]" 1
497 1 26 ASP HB2 1 116 THR MG 3.500 . 4.500 3.425 3.147 3.546 . 0 0 "[ . 1 . 2 ]" 1
498 1 26 ASP HB2 1 153 HIS HE1 4.500 . 5.500 5.453 5.226 5.504 0.004 13 0 "[ . 1 . 2 ]" 1
499 1 30 PHE HZ 1 41 VAL MG1 4.500 . 5.000 3.573 3.336 3.817 . 0 0 "[ . 1 . 2 ]" 1
500 1 30 PHE HZ 1 54 LEU MD1 5.500 . 6.500 3.974 3.612 4.535 . 0 0 "[ . 1 . 2 ]" 1
501 1 30 PHE HZ 1 97 ALA MB 4.500 . 5.500 2.705 2.434 3.073 . 0 0 "[ . 1 . 2 ]" 1
502 1 35 VAL HA 1 57 ARG HE 5.500 . 5.500 3.926 3.235 5.423 . 0 0 "[ . 1 . 2 ]" 1
503 1 35 VAL HA 1 57 ARG QD 5.500 . 6.500 4.116 3.529 4.598 . 0 0 "[ . 1 . 2 ]" 1
504 1 37 LYS HA 1 92 GLN QE 4.500 . 5.500 3.503 2.231 4.935 . 0 0 "[ . 1 . 2 ]" 1
505 1 38 ILE QG 1 92 GLN H 5.500 . 6.500 4.908 4.380 5.500 . 0 0 "[ . 1 . 2 ]" 1
506 1 38 ILE QG 1 92 GLN QE 4.500 . 6.500 2.849 1.791 3.738 . 0 0 "[ . 1 . 2 ]" 1
507 1 38 ILE MD 1 92 GLN QE 5.500 . 7.500 3.988 2.845 5.065 . 0 0 "[ . 1 . 2 ]" 1
508 1 38 ILE MD 1 86 ALA HA 2.500 . 3.500 2.419 1.960 2.738 . 0 0 "[ . 1 . 2 ]" 1
509 1 38 ILE MD 1 89 HIS HB2 3.500 . 4.500 3.268 2.934 3.585 . 0 0 "[ . 1 . 2 ]" 1
510 1 39 MET QB 1 54 LEU MD1 4.500 . 5.500 3.911 3.743 4.010 . 0 0 "[ . 1 . 2 ]" 1
511 1 39 MET ME 1 54 LEU HG 3.500 . 4.500 3.437 3.135 3.594 . 0 0 "[ . 1 . 2 ]" 1
512 1 39 MET ME 1 54 LEU MD1 2.500 . 3.500 1.914 1.742 2.079 . 0 0 "[ . 1 . 2 ]" 1
513 1 39 MET ME 1 59 ASN HA 2.500 . 3.500 2.639 2.223 2.848 . 0 0 "[ . 1 . 2 ]" 1
514 1 39 MET ME 1 59 ASN QB 3.500 . 5.500 3.351 2.800 3.765 . 0 0 "[ . 1 . 2 ]" 1
515 1 39 MET ME 1 59 ASN QD 3.500 . 4.500 2.528 1.775 3.137 . 0 0 "[ . 1 . 2 ]" 1
516 1 39 MET QB 1 59 ASN HA 5.500 . 6.500 2.790 2.286 3.162 . 0 0 "[ . 1 . 2 ]" 1
517 1 39 MET ME 1 54 LEU H 5.500 . 5.500 3.848 3.298 4.322 . 0 0 "[ . 1 . 2 ]" 1
518 1 40 VAL HA 1 60 VAL MG2 5.500 . 6.500 3.543 3.404 3.738 . 0 0 "[ . 1 . 2 ]" 1
519 1 40 VAL MG2 1 96 ILE MD 2.500 . 4.500 2.919 2.681 3.027 . 0 0 "[ . 1 . 2 ]" 1
520 1 40 VAL HB 1 96 ILE MD 2.500 . 3.500 2.064 1.947 2.371 . 0 0 "[ . 1 . 2 ]" 1
521 1 41 VAL H 1 61 VAL MG1 5.500 . 6.000 4.731 4.519 4.881 . 0 0 "[ . 1 . 2 ]" 1
522 1 41 VAL H 1 61 VAL MG2 5.500 . 5.500 4.111 3.792 4.413 . 0 0 "[ . 1 . 2 ]" 1
523 1 41 VAL HA 1 97 ALA MB 5.500 . 6.500 3.773 3.624 4.046 . 0 0 "[ . 1 . 2 ]" 1
524 1 41 VAL HA 1 102 ILE MG 3.500 . 4.500 3.131 2.739 3.435 . 0 0 "[ . 1 . 2 ]" 1
525 1 41 VAL HB 1 99 GLY H 5.500 . 6.000 4.825 4.370 5.079 . 0 0 "[ . 1 . 2 ]" 1
526 1 41 VAL MG1 1 49 PHE HZ 4.500 . 5.500 2.095 1.928 2.429 . 0 0 "[ . 1 . 2 ]" 1
527 1 41 VAL MG2 1 49 PHE HZ 3.500 . 4.500 3.447 3.115 3.638 . 0 0 "[ . 1 . 2 ]" 1
528 1 41 VAL MG2 1 61 VAL HA 3.500 . 4.500 2.991 2.606 3.301 . 0 0 "[ . 1 . 2 ]" 1
529 1 41 VAL MG2 1 61 VAL MG1 4.500 . 6.500 3.320 3.122 3.449 . 0 0 "[ . 1 . 2 ]" 1
530 1 41 VAL MG2 1 61 VAL MG2 2.500 . 4.500 2.698 2.491 2.823 . 0 0 "[ . 1 . 2 ]" 1
531 1 41 VAL MG1 1 97 ALA H 4.500 . 5.500 3.127 2.704 3.506 . 0 0 "[ . 1 . 2 ]" 1
532 1 41 VAL MG1 1 98 GLY H 5.500 . 6.500 3.155 2.679 3.633 . 0 0 "[ . 1 . 2 ]" 1
533 1 43 ARG HA 1 61 VAL MG1 2.500 . 3.500 2.504 2.227 2.794 . 0 0 "[ . 1 . 2 ]" 1
534 1 43 ARG HA 1 61 VAL MG2 4.500 . 5.500 4.111 3.886 4.412 . 0 0 "[ . 1 . 2 ]" 1
535 1 45 THR MG 1 99 GLY H 5.500 . 6.500 4.594 4.126 4.946 . 0 0 "[ . 1 . 2 ]" 1
536 1 46 TYR H 1 61 VAL MG1 5.500 . 6.500 4.337 4.009 4.560 . 0 0 "[ . 1 . 2 ]" 1
537 1 46 TYR H 1 61 VAL MG2 5.500 . 6.500 4.932 4.716 5.185 . 0 0 "[ . 1 . 2 ]" 1
538 1 46 TYR HA 1 61 VAL MG1 5.500 . 6.500 5.005 4.550 5.242 . 0 0 "[ . 1 . 2 ]" 1
539 1 46 TYR HA 1 61 VAL MG2 5.500 . 6.500 4.379 3.995 4.661 . 0 0 "[ . 1 . 2 ]" 1
540 1 47 GLU HA 1 52 ARG HE 3.500 . 3.500 2.758 1.827 3.502 0.002 17 0 "[ . 1 . 2 ]" 1
541 1 47 GLU HA 1 52 ARG QD 3.500 . 4.500 2.784 2.182 4.065 . 0 0 "[ . 1 . 2 ]" 1
542 1 49 PHE HZ 1 54 LEU MD1 4.500 . 5.500 3.319 3.016 3.618 . 0 0 "[ . 1 . 2 ]" 1
543 1 54 LEU QB 1 59 ASN QD 3.500 . 5.500 1.871 1.681 2.183 . 0 0 "[ . 1 . 2 ]" 1
544 1 58 THR HB 1 92 GLN QE 5.500 . 6.500 4.025 3.219 5.155 . 0 0 "[ . 1 . 2 ]" 1
545 1 59 ASN HB2 1 73 ALA MB 3.500 . 4.500 2.501 2.152 2.811 . 0 0 "[ . 1 . 2 ]" 1
546 1 60 VAL MG1 1 74 VAL HA 5.500 . 6.500 5.021 4.765 5.173 . 0 0 "[ . 1 . 2 ]" 1
547 1 60 VAL MG2 1 74 VAL HA 5.500 . 6.500 5.055 4.783 5.153 . 0 0 "[ . 1 . 2 ]" 1
548 1 60 VAL MG1 1 74 VAL HB 4.500 . 5.500 2.868 2.567 3.112 . 0 0 "[ . 1 . 2 ]" 1
549 1 60 VAL MG2 1 74 VAL HB 3.500 . 4.500 2.346 2.019 2.477 . 0 0 "[ . 1 . 2 ]" 1
550 1 61 VAL HB 1 70 ALA MB 5.500 . 6.500 3.698 3.354 4.049 . 0 0 "[ . 1 . 2 ]" 1
551 1 61 VAL MG2 1 70 ALA MB 3.500 . 4.500 2.662 2.386 2.960 . 0 0 "[ . 1 . 2 ]" 1
552 1 61 VAL MG1 1 75 VAL MG1 5.500 . 6.500 3.472 2.965 3.663 . 0 0 "[ . 1 . 2 ]" 1
553 1 61 VAL MG2 1 75 VAL MG2 4.500 . 5.500 3.357 2.773 3.474 . 0 0 "[ . 1 . 2 ]" 1
554 1 61 VAL MG2 1 73 ALA HA 5.500 . 6.500 4.942 4.562 5.198 . 0 0 "[ . 1 . 2 ]" 1
555 1 61 VAL MG2 1 73 ALA MB 2.500 . 4.500 2.665 2.262 2.914 . 0 0 "[ . 1 . 2 ]" 1
556 1 62 LEU HA 1 76 VAL MG2 3.500 . 4.500 2.063 1.972 2.723 . 0 0 "[ . 1 . 2 ]" 1
557 1 62 LEU MD1 1 77 HIS HA 3.500 . 4.500 3.074 2.802 3.341 . 0 0 "[ . 1 . 2 ]" 1
558 1 62 LEU MD1 1 77 HIS H 4.500 . 5.500 3.852 3.684 4.015 . 0 0 "[ . 1 . 2 ]" 1
559 1 62 LEU MD1 1 78 ASP H 4.500 . 5.500 2.517 2.351 2.705 . 0 0 "[ . 1 . 2 ]" 1
560 1 62 LEU MD1 1 78 ASP HA 3.500 . 4.500 3.498 3.283 3.567 . 0 0 "[ . 1 . 2 ]" 1
561 1 62 LEU MD1 1 79 VAL HA 4.500 . 5.500 3.177 2.767 3.660 . 0 0 "[ . 1 . 2 ]" 1
562 1 63 THR MG 1 68 TYR QB 4.500 . 6.500 2.499 2.132 2.892 . 0 0 "[ . 1 . 2 ]" 1
563 1 63 THR MG 1 77 HIS HA 5.500 . 6.500 3.651 3.174 3.957 . 0 0 "[ . 1 . 2 ]" 1
564 1 63 THR MG 1 77 HIS HE1 3.500 . 4.500 2.272 2.094 2.513 . 0 0 "[ . 1 . 2 ]" 1
565 1 66 GLU HA 1 77 HIS HE1 4.500 . 4.500 2.708 2.067 3.688 . 0 0 "[ . 1 . 2 ]" 1
566 1 66 GLU QG 1 77 HIS HE1 4.500 . 5.500 3.945 3.108 4.912 . 0 0 "[ . 1 . 2 ]" 1
567 1 68 TYR HB3 1 77 HIS HE1 4.500 . 5.000 4.208 3.564 4.887 . 0 0 "[ . 1 . 2 ]" 1
568 1 68 TYR HB2 1 77 HIS HE1 5.500 . 6.000 5.409 4.824 5.972 . 0 0 "[ . 1 . 2 ]" 1
569 1 79 VAL HA 1 106 PHE HZ 3.500 . 3.500 2.831 2.503 3.108 . 0 0 "[ . 1 . 2 ]" 1
570 1 82 VAL H 1 106 PHE HZ 5.500 . 5.500 4.356 3.970 4.679 . 0 0 "[ . 1 . 2 ]" 1
571 1 82 VAL MG2 1 106 PHE HZ 2.500 . 3.500 2.075 1.966 2.362 . 0 0 "[ . 1 . 2 ]" 1
572 1 96 ILE MG 1 106 PHE H 6.000 . 6.000 4.411 4.139 4.791 . 0 0 "[ . 1 . 2 ]" 1
573 1 96 ILE MD 1 102 ILE HB 5.500 . 6.000 4.546 4.247 4.743 . 0 0 "[ . 1 . 2 ]" 1
574 1 96 ILE MD 1 106 PHE QB 4.500 . 6.500 2.957 2.529 3.431 . 0 0 "[ . 1 . 2 ]" 1
575 1 96 ILE MD 1 106 PHE HZ 5.500 . 6.500 4.433 3.947 4.892 . 0 0 "[ . 1 . 2 ]" 1
576 1 100 ALA H 1 126 THR MG 5.500 . 5.500 4.145 3.508 4.454 . 0 0 "[ . 1 . 2 ]" 1
577 1 100 ALA MB 1 126 THR MG 2.500 . 4.500 3.047 2.897 3.110 . 0 0 "[ . 1 . 2 ]" 1
578 1 100 ALA MB 1 129 ILE MG 3.500 . 5.500 2.558 1.895 3.039 . 0 0 "[ . 1 . 2 ]" 1
579 1 103 PHE HA 1 128 MET ME 5.500 . 6.000 4.989 4.913 5.044 . 0 0 "[ . 1 . 2 ]" 1
580 1 103 PHE HB3 1 128 MET ME 3.500 . 4.500 3.092 3.005 3.202 . 0 0 "[ . 1 . 2 ]" 1
581 1 103 PHE HB2 1 128 MET ME 4.500 . 5.500 3.296 3.077 3.520 . 0 0 "[ . 1 . 2 ]" 1
582 1 103 PHE QB 1 129 ILE MD 5.500 . 6.500 2.424 2.202 2.772 . 0 0 "[ . 1 . 2 ]" 1
583 1 104 THR H 1 129 ILE MG 4.500 . 5.500 3.954 3.605 4.257 . 0 0 "[ . 1 . 2 ]" 1
584 1 104 THR H 1 129 ILE MD 4.500 . 5.500 3.036 2.645 3.569 . 0 0 "[ . 1 . 2 ]" 1
585 1 107 LYS H 1 129 ILE MD 5.500 . 6.500 5.238 4.976 5.450 . 0 0 "[ . 1 . 2 ]" 1
586 1 110 VAL MG1 1 136 PHE HZ 2.500 . 3.500 1.994 1.886 2.106 . 0 0 "[ . 1 . 2 ]" 1
587 1 111 ASP HA 1 160 LYS QD 4.500 . 5.500 3.275 2.691 4.839 . 0 0 "[ . 1 . 2 ]" 1
588 1 111 ASP HB3 1 160 LYS H 5.500 . 5.500 4.142 3.850 5.211 . 0 0 "[ . 1 . 2 ]" 1
589 1 111 ASP HB2 1 160 LYS H 5.500 . 5.500 4.950 3.848 5.211 . 0 0 "[ . 1 . 2 ]" 1
590 1 112 THR MG 1 159 GLN HA 4.500 . 5.500 3.456 3.095 4.025 . 0 0 "[ . 1 . 2 ]" 1
591 1 113 LEU HB3 1 158 TRP HD1 5.500 . 5.500 4.438 4.050 4.689 . 0 0 "[ . 1 . 2 ]" 1
592 1 113 LEU HB2 1 158 TRP HD1 3.500 . 4.000 3.967 3.880 4.004 0.004 9 0 "[ . 1 . 2 ]" 1
593 1 113 LEU HG 1 159 GLN HA 5.500 . 5.500 5.379 5.113 5.490 . 0 0 "[ . 1 . 2 ]" 1
594 1 113 LEU MD1 1 131 LEU MD2 5.600 . 6.600 3.611 3.374 3.806 . 0 0 "[ . 1 . 2 ]" 1
595 1 113 LEU MD1 1 131 LEU MD1 5.600 . 6.600 3.330 3.081 3.492 . 0 0 "[ . 1 . 2 ]" 1
596 1 113 LEU MD1 1 133 TRP HE3 4.500 . 5.500 3.467 3.215 3.867 . 0 0 "[ . 1 . 2 ]" 1
597 1 113 LEU MD1 1 133 TRP HZ2 5.500 . 6.500 4.652 4.459 4.788 . 0 0 "[ . 1 . 2 ]" 1
598 1 113 LEU MD1 1 133 TRP HZ3 3.500 . 4.500 3.163 3.040 3.357 . 0 0 "[ . 1 . 2 ]" 1
599 1 113 LEU MD1 1 133 TRP HH2 4.500 . 5.000 3.868 3.771 3.924 . 0 0 "[ . 1 . 2 ]" 1
600 1 113 LEU MD1 1 158 TRP HB3 5.500 . 5.500 3.627 3.496 3.736 . 0 0 "[ . 1 . 2 ]" 1
601 1 113 LEU MD1 1 158 TRP HB2 3.500 . 4.000 3.129 2.974 3.183 . 0 0 "[ . 1 . 2 ]" 1
602 1 113 LEU MD1 1 158 TRP HE3 4.500 . 6.000 4.779 4.639 4.902 . 0 0 "[ . 1 . 2 ]" 1
603 1 113 LEU MD2 1 131 LEU MD2 3.500 . 4.500 2.819 2.723 2.890 . 0 0 "[ . 1 . 2 ]" 1
604 1 114 LEU MD2 1 157 VAL HA 3.500 . 4.500 2.077 1.981 2.177 . 0 0 "[ . 1 . 2 ]" 1
605 1 114 LEU MD2 1 157 VAL HB 4.500 . 5.500 3.764 3.654 3.874 . 0 0 "[ . 1 . 2 ]" 1
606 1 114 LEU MD2 1 158 TRP H 4.500 . 5.000 3.707 3.551 3.823 . 0 0 "[ . 1 . 2 ]" 1
607 1 115 VAL MG1 1 158 TRP HD1 3.500 . 4.500 3.477 3.312 3.607 . 0 0 "[ . 1 . 2 ]" 1
608 1 115 VAL MG1 1 133 TRP HH2 3.500 . 4.500 2.588 2.249 2.749 . 0 0 "[ . 1 . 2 ]" 1
609 1 115 VAL MG2 1 133 TRP HH2 3.500 . 4.500 3.621 3.526 3.682 . 0 0 "[ . 1 . 2 ]" 1
610 1 116 THR MG 1 153 HIS HA 4.500 . 5.500 4.458 4.401 4.507 . 0 0 "[ . 1 . 2 ]" 1
611 1 116 THR MG 1 154 THR H 4.500 . 5.500 3.540 3.322 3.638 . 0 0 "[ . 1 . 2 ]" 1
612 1 116 THR MG 1 153 HIS HB2 3.500 . 4.500 2.394 2.260 2.526 . 0 0 "[ . 1 . 2 ]" 1
613 1 116 THR MG 1 153 HIS HD2 2.500 . 3.500 2.405 2.100 2.698 . 0 0 "[ . 1 . 2 ]" 1
614 1 117 ARG H 1 153 HIS HD2 5.500 . 6.500 5.531 5.163 5.807 . 0 0 "[ . 1 . 2 ]" 1
615 1 118 LEU HG 1 153 HIS HA 4.500 . 4.500 3.874 3.635 4.091 . 0 0 "[ . 1 . 2 ]" 1
616 1 118 LEU MD1 1 153 HIS HA 5.500 . 5.500 3.587 3.338 4.009 . 0 0 "[ . 1 . 2 ]" 1
617 1 118 LEU MD1 1 153 HIS HB3 3.500 . 4.500 2.156 1.968 2.469 . 0 0 "[ . 1 . 2 ]" 1
618 1 118 LEU MD1 1 153 HIS HB2 3.500 . 4.500 2.305 2.142 2.614 . 0 0 "[ . 1 . 2 ]" 1
619 1 118 LEU MD1 1 153 HIS HD2 5.500 . 6.500 3.952 3.691 4.175 . 0 0 "[ . 1 . 2 ]" 1
620 1 118 LEU MD1 1 151 LEU HA 5.500 . 6.500 5.378 5.305 5.436 . 0 0 "[ . 1 . 2 ]" 1
621 1 118 LEU MD2 1 151 LEU HA 3.500 . 4.500 3.550 3.480 3.594 . 0 0 "[ . 1 . 2 ]" 1
622 1 118 LEU MD2 1 151 LEU MD2 4.500 . 5.500 3.338 3.240 3.464 . 0 0 "[ . 1 . 2 ]" 1
623 1 122 PHE HZ 1 150 ALA MB 2.500 . 4.000 3.019 2.897 3.169 . 0 0 "[ . 1 . 2 ]" 1
624 1 122 PHE HZ 1 151 LEU HG 5.500 . 5.500 4.485 4.098 4.875 . 0 0 "[ . 1 . 2 ]" 1
625 1 122 PHE HZ 1 151 LEU MD2 3.500 . 5.000 3.874 3.560 3.968 . 0 0 "[ . 1 . 2 ]" 1
626 1 133 TRP HE3 1 158 TRP HE3 5.500 . 5.500 3.574 3.246 3.862 . 0 0 "[ . 1 . 2 ]" 1
627 1 133 TRP HE3 1 158 TRP HZ3 4.500 . 4.500 4.310 4.008 4.500 0.000 16 0 "[ . 1 . 2 ]" 1
628 1 133 TRP HZ3 1 158 TRP HD1 4.500 . 4.500 3.081 2.726 3.689 . 0 0 "[ . 1 . 2 ]" 1
629 1 133 TRP HZ3 1 158 TRP HE1 5.500 . 5.500 3.762 3.624 4.018 . 0 0 "[ . 1 . 2 ]" 1
630 1 136 PHE HA 1 158 TRP HE3 5.500 . 7.500 4.323 4.047 4.503 . 0 0 "[ . 1 . 2 ]" 1
631 1 136 PHE H 1 158 TRP HE3 3.500 . 5.500 4.599 4.365 4.870 . 0 0 "[ . 1 . 2 ]" 1
632 1 136 PHE HB3 1 158 TRP HE3 2.500 . 2.500 2.491 2.366 2.505 0.005 20 0 "[ . 1 . 2 ]" 1
633 1 136 PHE HB2 1 158 TRP HE3 3.500 . 3.500 2.960 2.582 3.298 . 0 0 "[ . 1 . 2 ]" 1
634 1 136 PHE HB3 1 158 TRP HZ3 5.500 . 5.500 4.583 4.389 4.696 . 0 0 "[ . 1 . 2 ]" 1
635 1 136 PHE HB2 1 158 TRP HZ3 4.500 . 4.500 4.216 4.011 4.449 . 0 0 "[ . 1 . 2 ]" 1
636 1 137 THR H 1 158 TRP HE3 3.500 . 3.500 2.786 2.547 3.086 . 0 0 "[ . 1 . 2 ]" 1
637 1 137 THR HA 1 158 TRP HE3 5.500 . 5.500 2.836 2.581 3.060 . 0 0 "[ . 1 . 2 ]" 1
638 1 137 THR HA 1 158 TRP HZ3 4.500 . 4.500 2.863 2.502 3.303 . 0 0 "[ . 1 . 2 ]" 1
639 1 137 THR MG 1 159 GLN H 5.500 . 6.500 4.957 4.770 5.262 . 0 0 "[ . 1 . 2 ]" 1
640 1 138 LYS H 1 158 TRP HE3 4.500 . 4.500 3.337 3.007 3.682 . 0 0 "[ . 1 . 2 ]" 1
641 1 138 LYS HA 1 158 TRP HD1 5.500 . 5.500 4.378 4.167 4.628 . 0 0 "[ . 1 . 2 ]" 1
642 1 138 LYS HA 1 158 TRP HE3 5.500 . 5.500 3.827 3.616 4.012 . 0 0 "[ . 1 . 2 ]" 1
643 1 138 LYS QB 1 158 TRP HZ3 5.500 . 6.500 3.839 3.494 4.009 . 0 0 "[ . 1 . 2 ]" 1
644 1 138 LYS HG3 1 158 TRP HE1 5.500 . 5.500 3.430 2.935 3.986 . 0 0 "[ . 1 . 2 ]" 1
645 1 138 LYS QD 1 158 TRP HE1 4.500 . 5.500 4.075 2.521 4.896 . 0 0 "[ . 1 . 2 ]" 1
646 1 138 LYS QE 1 158 TRP HH2 5.500 . 5.500 3.992 3.090 4.927 . 0 0 "[ . 1 . 2 ]" 1
647 1 138 LYS QE 1 158 TRP HZ2 4.500 . 5.500 2.963 2.091 4.410 . 0 0 "[ . 1 . 2 ]" 1
648 1 142 ARG H 1 154 THR MG 3.500 . 4.500 3.439 2.868 3.658 . 0 0 "[ . 1 . 2 ]" 1
649 1 143 THR H 1 154 THR MG 5.500 . 5.500 3.483 3.329 3.677 . 0 0 "[ . 1 . 2 ]" 1
650 1 143 THR HA 1 154 THR MG 4.500 . 5.500 2.006 1.967 2.047 . 0 0 "[ . 1 . 2 ]" 1
651 1 144 VAL MG1 1 153 HIS HD2 3.500 . 4.500 2.961 2.789 3.092 . 0 0 "[ . 1 . 2 ]" 1
652 1 143 THR MG 1 154 THR MG 2.500 . 4.500 2.498 2.266 2.762 . 0 0 "[ . 1 . 2 ]" 1
653 1 144 VAL MG2 1 153 HIS HE1 3.500 . 4.500 3.274 3.135 3.501 . 0 0 "[ . 1 . 2 ]" 1
654 1 144 VAL MG2 1 153 HIS HD2 5.500 . 6.500 5.167 4.996 5.324 . 0 0 "[ . 1 . 2 ]" 1
655 1 145 GLU HA 1 152 THR HG1 4.500 . 5.500 3.890 2.791 5.190 . 0 0 "[ . 1 . 2 ]" 1
656 1 145 GLU HA 1 152 THR MG 3.500 . 4.500 2.130 1.979 2.268 . 0 0 "[ . 1 . 2 ]" 1
657 1 145 GLU QG 1 152 THR HG1 5.500 . 6.500 3.912 2.167 5.655 . 0 0 "[ . 1 . 2 ]" 1
658 1 146 ASP QB 1 151 LEU MD1 4.500 . 6.500 3.119 2.958 3.272 . 0 0 "[ . 1 . 2 ]" 1
659 1 146 ASP H 1 152 THR MG 5.500 . 6.500 3.293 2.202 3.516 . 0 0 "[ . 1 . 2 ]" 1
660 1 1 THR MG 1 3 PHE QE 4.500 . 5.500 2.304 1.895 2.931 . 0 0 "[ . 1 . 2 ]" 1
661 1 19 LEU QD 1 21 TRP H 5.500 . 6.500 3.504 3.131 3.839 . 0 0 "[ . 1 . 2 ]" 1
662 1 19 LEU QD 1 21 TRP HD1 5.500 . 6.500 3.740 3.428 3.848 . 0 0 "[ . 1 . 2 ]" 1
663 1 19 LEU QD 1 21 TRP HE1 4.500 . 5.500 2.466 2.186 2.702 . 0 0 "[ . 1 . 2 ]" 1
664 1 19 LEU QD 1 21 TRP HZ2 5.500 . 6.500 2.306 2.083 2.557 . 0 0 "[ . 1 . 2 ]" 1
665 1 26 ASP HA 1 29 TYR QD 5.500 . 5.500 4.474 4.348 4.614 . 0 0 "[ . 1 . 2 ]" 1
666 1 27 LEU HA 1 30 PHE QD 5.500 . 5.500 5.024 4.827 5.269 . 0 0 "[ . 1 . 2 ]" 1
667 1 29 TYR QD 1 32 ALA MB 4.500 . 5.500 3.008 2.748 3.168 . 0 0 "[ . 1 . 2 ]" 1
668 1 29 TYR QD 1 33 GLN H 5.500 . 5.500 4.869 4.779 5.088 . 0 0 "[ . 1 . 2 ]" 1
669 1 29 TYR QD 1 33 GLN HB2 5.500 . 5.500 4.319 4.131 4.682 . 0 0 "[ . 1 . 2 ]" 1
670 1 29 TYR QD 1 33 GLN QG 5.500 . 5.500 3.436 2.950 4.790 . 0 0 "[ . 1 . 2 ]" 1
671 1 29 TYR QE 1 33 GLN HB2 4.500 . 5.500 4.442 4.152 4.678 . 0 0 "[ . 1 . 2 ]" 1
672 1 29 TYR QE 1 33 GLN QG 4.500 . 4.500 2.639 2.367 3.611 . 0 0 "[ . 1 . 2 ]" 1
673 1 30 PHE QD 1 34 THR MG 5.500 . 5.500 2.958 2.764 3.151 . 0 0 "[ . 1 . 2 ]" 1
674 1 30 PHE QE 1 34 THR MG 4.500 . 4.500 2.740 2.569 2.881 . 0 0 "[ . 1 . 2 ]" 1
675 1 32 ALA HA 1 35 VAL QG 3.500 . 3.500 2.692 2.516 3.122 . 0 0 "[ . 1 . 2 ]" 1
676 1 43 ARG HA 1 46 TYR QD 4.500 . 4.500 4.323 4.104 4.504 0.004 4 0 "[ . 1 . 2 ]" 1
677 1 46 TYR HA 1 49 PHE QD 3.500 . 3.500 2.212 2.003 2.688 . 0 0 "[ . 1 . 2 ]" 1
678 1 46 TYR HA 1 49 PHE QE 4.500 . 4.500 2.326 1.996 2.737 . 0 0 "[ . 1 . 2 ]" 1
679 1 46 TYR QD 1 49 PHE QD 4.500 . 4.500 3.370 3.004 3.818 . 0 0 "[ . 1 . 2 ]" 1
680 1 46 TYR QD 1 49 PHE QE 4.500 . 4.500 2.862 2.374 3.265 . 0 0 "[ . 1 . 2 ]" 1
681 1 68 TYR QD 1 70 ALA MB 3.500 . 4.000 3.419 2.610 3.951 . 0 0 "[ . 1 . 2 ]" 1
682 1 68 TYR QE 1 70 ALA HA 5.500 . 5.500 3.954 3.427 4.567 . 0 0 "[ . 1 . 2 ]" 1
683 1 68 TYR QE 1 70 ALA MB 3.500 . 3.500 2.423 2.122 2.943 . 0 0 "[ . 1 . 2 ]" 1
684 1 75 VAL QG 1 77 HIS HE1 4.500 . 4.500 2.997 2.625 3.711 . 0 0 "[ . 1 . 2 ]" 1
685 1 80 ALA HA 1 83 PHE QD 3.500 . 3.500 2.785 2.407 3.376 . 0 0 "[ . 1 . 2 ]" 1
686 1 80 ALA H 1 83 PHE QD 5.500 . 5.500 4.567 4.405 4.780 . 0 0 "[ . 1 . 2 ]" 1
687 1 94 LEU QB 1 96 ILE MD 5.500 . 6.000 4.291 3.976 4.499 . 0 0 "[ . 1 . 2 ]" 1
688 1 94 LEU QD 1 96 ILE MD 3.500 . 4.000 2.395 1.738 2.741 . 0 0 "[ . 1 . 2 ]" 1
689 1 100 ALA H 1 103 PHE QD 5.500 . 5.500 4.245 4.032 4.391 . 0 0 "[ . 1 . 2 ]" 1
690 1 100 ALA HA 1 103 PHE QE 5.500 . 5.500 3.921 3.760 4.082 . 0 0 "[ . 1 . 2 ]" 1
691 1 100 ALA MB 1 103 PHE QD 5.500 . 5.500 3.622 3.561 3.666 . 0 0 "[ . 1 . 2 ]" 1
692 1 106 PHE QD 1 109 ASP HB3 5.500 . 5.500 4.588 3.539 5.499 . 0 0 "[ . 1 . 2 ]" 1
693 1 106 PHE QD 1 109 ASP HB2 4.500 . 4.500 3.536 2.751 4.346 . 0 0 "[ . 1 . 2 ]" 1
694 1 107 LYS HA 1 110 VAL QG 3.500 . 4.000 2.898 2.491 3.356 . 0 0 "[ . 1 . 2 ]" 1
695 1 110 VAL QG 1 112 THR H 4.500 . 4.500 3.348 2.995 3.738 . 0 0 "[ . 1 . 2 ]" 1
696 1 110 VAL QG 1 113 LEU MD2 3.500 . 3.500 2.169 1.852 2.452 . 0 0 "[ . 1 . 2 ]" 1
697 1 113 LEU QB 1 115 VAL QG 5.500 . 6.000 3.999 3.870 4.045 . 0 0 "[ . 1 . 2 ]" 1
698 1 118 LEU HB3 1 122 PHE QE 4.500 . 4.500 3.109 2.759 3.309 . 0 0 "[ . 1 . 2 ]" 1
699 1 118 LEU MD1 1 122 PHE QE 5.500 . 6.500 5.122 4.837 5.274 . 0 0 "[ . 1 . 2 ]" 1
700 1 118 LEU MD2 1 122 PHE QD 4.500 . 5.000 3.476 3.224 3.664 . 0 0 "[ . 1 . 2 ]" 1
701 1 118 LEU MD2 1 122 PHE QE 3.500 . 3.500 2.657 2.442 2.865 . 0 0 "[ . 1 . 2 ]" 1
702 1 120 GLY QA 1 122 PHE QE 5.500 . 5.500 2.475 2.245 2.762 . 0 0 "[ . 1 . 2 ]" 1
703 1 120 GLY H 1 122 PHE QE 4.500 . 4.500 3.503 3.396 3.647 . 0 0 "[ . 1 . 2 ]" 1
704 1 133 TRP HA 1 136 PHE QE 4.500 . 5.500 4.310 4.023 4.557 . 0 0 "[ . 1 . 2 ]" 1
705 1 134 ASP H 1 136 PHE QD 4.500 . 5.500 4.560 4.267 4.901 . 0 0 "[ . 1 . 2 ]" 1
706 1 153 HIS HD2 1 155 TYR QD 4.500 . 4.500 3.790 3.622 4.019 . 0 0 "[ . 1 . 2 ]" 1
707 1 153 HIS HD2 1 155 TYR QE 3.500 . 3.500 2.856 2.557 3.330 . 0 0 "[ . 1 . 2 ]" 1
708 1 9 ARG H 1 11 GLY H 4.500 . 4.500 4.417 4.245 4.466 . 0 0 "[ . 1 . 2 ]" 1
709 1 15 LYS H 1 17 GLY H 4.500 . 4.500 3.401 3.258 3.593 . 0 0 "[ . 1 . 2 ]" 1
710 1 16 ASP H 1 18 HIS H 5.500 . 5.500 5.259 5.179 5.327 . 0 0 "[ . 1 . 2 ]" 1
711 1 26 ASP H 1 28 HIS H 5.500 . 5.500 4.009 3.954 4.069 . 0 0 "[ . 1 . 2 ]" 1
712 1 27 LEU H 1 29 TYR H 5.500 . 5.500 4.058 3.948 4.134 . 0 0 "[ . 1 . 2 ]" 1
713 1 28 HIS H 1 30 PHE H 4.500 . 4.500 3.886 3.826 3.948 . 0 0 "[ . 1 . 2 ]" 1
714 1 30 PHE H 1 32 ALA H 5.500 . 5.500 3.893 3.803 3.944 . 0 0 "[ . 1 . 2 ]" 1
715 1 31 ARG H 1 33 GLN H 4.500 . 4.500 4.123 4.029 4.500 0.000 13 0 "[ . 1 . 2 ]" 1
716 1 32 ALA H 1 34 THR H 4.500 . 4.500 4.256 3.836 4.358 . 0 0 "[ . 1 . 2 ]" 1
717 1 33 GLN H 1 35 VAL H 4.500 . 4.500 4.411 4.328 4.485 . 0 0 "[ . 1 . 2 ]" 1
718 1 44 ARG H 1 46 TYR H 4.500 . 4.500 3.883 3.763 3.975 . 0 0 "[ . 1 . 2 ]" 1
719 1 46 TYR H 1 48 SER H 5.500 . 5.500 3.804 3.670 3.923 . 0 0 "[ . 1 . 2 ]" 1
720 1 47 GLU H 1 49 PHE H 5.500 . 5.500 4.122 3.985 4.457 . 0 0 "[ . 1 . 2 ]" 1
721 1 80 ALA H 1 82 VAL H 4.500 . 4.500 4.148 4.096 4.199 . 0 0 "[ . 1 . 2 ]" 1
722 1 82 VAL H 1 84 ALA H 4.500 . 4.500 3.902 3.806 3.997 . 0 0 "[ . 1 . 2 ]" 1
723 1 84 ALA H 1 86 ALA H 4.500 . 5.000 4.069 3.953 4.182 . 0 0 "[ . 1 . 2 ]" 1
724 1 85 TYR H 1 87 LYS H 4.500 . 4.500 3.973 3.862 4.050 . 0 0 "[ . 1 . 2 ]" 1
725 1 86 ALA H 1 88 GLN H 5.500 . 5.500 4.280 3.989 4.448 . 0 0 "[ . 1 . 2 ]" 1
726 1 87 LYS H 1 89 HIS H 4.500 . 4.500 3.951 3.832 4.116 . 0 0 "[ . 1 . 2 ]" 1
727 1 102 ILE H 1 104 THR H 4.500 . 4.500 4.321 4.139 4.494 . 0 0 "[ . 1 . 2 ]" 1
728 1 103 PHE H 1 105 ALA H 4.500 . 4.500 3.822 3.713 3.971 . 0 0 "[ . 1 . 2 ]" 1
729 1 105 ALA H 1 107 LYS H 4.500 . 4.500 3.821 3.653 4.033 . 0 0 "[ . 1 . 2 ]" 1
730 1 107 LYS H 1 109 ASP H 4.500 . 4.500 4.323 4.121 4.501 0.001 2 0 "[ . 1 . 2 ]" 1
731 1 108 ASP H 1 110 VAL H 5.500 . 5.500 4.649 4.187 4.983 . 0 0 "[ . 1 . 2 ]" 1
732 1 133 TRP H 1 135 ASP H 5.500 . 5.500 4.391 4.298 4.598 . 0 0 "[ . 1 . 2 ]" 1
733 1 19 LEU HA 1 21 TRP H 5.500 . 6.500 4.112 4.040 4.210 . 0 0 "[ . 1 . 2 ]" 1
734 1 24 PRO HA 1 26 ASP H 4.500 . 5.500 4.546 4.334 4.792 . 0 0 "[ . 1 . 2 ]" 1
735 1 45 THR HA 1 47 GLU H 4.500 . 5.500 4.312 4.019 4.876 . 0 0 "[ . 1 . 2 ]" 1
736 1 46 TYR HA 1 48 SER H 4.500 . 4.500 4.244 3.909 4.418 . 0 0 "[ . 1 . 2 ]" 1
737 1 47 GLU HA 1 49 PHE H 4.500 . 5.500 3.683 3.296 3.848 . 0 0 "[ . 1 . 2 ]" 1
738 1 52 ARG HA 1 54 LEU H 4.500 . 4.500 3.477 2.937 4.144 . 0 0 "[ . 1 . 2 ]" 1
739 1 55 PRO HA 1 57 ARG H 3.500 . 4.500 3.261 3.147 3.358 . 0 0 "[ . 1 . 2 ]" 1
740 1 65 GLN HA 1 67 ASP H 4.500 . 5.500 3.825 3.728 3.944 . 0 0 "[ . 1 . 2 ]" 1
741 1 66 GLU HA 1 68 TYR H 4.500 . 4.500 4.076 3.695 4.317 . 0 0 "[ . 1 . 2 ]" 1
742 1 71 GLN HA 1 73 ALA H 4.500 . 4.500 3.781 3.585 4.081 . 0 0 "[ . 1 . 2 ]" 1
743 1 76 VAL HA 1 78 ASP H 3.500 . 4.500 4.201 4.073 4.477 . 0 0 "[ . 1 . 2 ]" 1
744 1 79 VAL HA 1 81 ALA H 4.500 . 5.500 4.177 3.991 4.220 . 0 0 "[ . 1 . 2 ]" 1
745 1 84 ALA HA 1 86 ALA H 4.500 . 5.500 4.340 4.213 4.528 . 0 0 "[ . 1 . 2 ]" 1
746 1 86 ALA HA 1 88 GLN H 4.500 . 5.500 4.351 4.114 4.576 . 0 0 "[ . 1 . 2 ]" 1
747 1 89 HIS HA 1 91 ASP H 3.500 . 4.500 3.324 3.295 3.342 . 0 0 "[ . 1 . 2 ]" 1
748 1 102 ILE HA 1 104 THR H 4.500 . 5.500 4.691 4.418 4.891 . 0 0 "[ . 1 . 2 ]" 1
749 1 104 THR HA 1 106 PHE H 5.500 . 6.500 4.209 3.911 4.676 . 0 0 "[ . 1 . 2 ]" 1
750 1 106 PHE HA 1 108 ASP H 4.500 . 5.500 3.488 3.348 3.640 . 0 0 "[ . 1 . 2 ]" 1
751 1 107 LYS HA 1 109 ASP H 4.500 . 5.500 3.767 3.273 4.537 . 0 0 "[ . 1 . 2 ]" 1
752 1 108 ASP HA 1 110 VAL H 5.500 . 6.500 4.127 3.801 4.571 . 0 0 "[ . 1 . 2 ]" 1
753 1 118 LEU HA 1 120 GLY H 4.500 . 5.500 3.965 3.839 4.136 . 0 0 "[ . 1 . 2 ]" 1
754 1 132 ASN HA 1 134 ASP H 3.500 . 4.500 3.204 3.145 3.234 . 0 0 "[ . 1 . 2 ]" 1
755 1 133 TRP HA 1 135 ASP H 3.500 . 4.500 3.495 3.155 3.795 . 0 0 "[ . 1 . 2 ]" 1
756 1 134 ASP HA 1 136 PHE H 5.500 . 5.500 3.805 3.539 4.548 . 0 0 "[ . 1 . 2 ]" 1
757 1 146 ASP HA 1 148 ASN H 5.500 . 5.500 4.729 4.536 4.824 . 0 0 "[ . 1 . 2 ]" 1
758 1 148 ASN HA 1 150 ALA H 4.500 . 5.500 4.221 3.991 4.350 . 0 0 "[ . 1 . 2 ]" 1
759 1 8 ASP H 1 11 GLY H 4.500 . 5.500 4.415 4.141 4.513 . 0 0 "[ . 1 . 2 ]" 1
760 1 8 ASP H 1 12 LEU H 3.500 . 4.500 2.729 2.586 2.829 . 0 0 "[ . 1 . 2 ]" 1
761 1 15 LYS H 1 18 HIS H 4.500 . 4.500 4.417 4.365 4.509 0.009 12 0 "[ . 1 . 2 ]" 1
762 1 26 ASP H 1 29 TYR H 5.500 . 5.500 4.809 4.761 4.865 . 0 0 "[ . 1 . 2 ]" 1
763 1 27 LEU H 1 30 PHE H 5.500 . 5.500 5.036 4.930 5.223 . 0 0 "[ . 1 . 2 ]" 1
764 1 28 HIS H 1 31 ARG H 5.500 . 5.500 5.259 5.123 5.404 . 0 0 "[ . 1 . 2 ]" 1
765 1 30 PHE H 1 33 GLN H 5.500 . 5.500 4.729 4.629 5.090 . 0 0 "[ . 1 . 2 ]" 1
766 1 32 ALA H 1 35 VAL H 5.500 . 5.500 5.146 5.035 5.268 . 0 0 "[ . 1 . 2 ]" 1
767 1 43 ARG H 1 46 TYR H 5.500 . 5.500 4.574 4.503 4.660 . 0 0 "[ . 1 . 2 ]" 1
768 1 44 ARG H 1 47 GLU H 5.500 . 5.500 5.045 4.881 5.211 . 0 0 "[ . 1 . 2 ]" 1
769 1 45 THR H 1 48 SER H 5.500 . 5.500 4.675 4.576 4.769 . 0 0 "[ . 1 . 2 ]" 1
770 1 46 TYR H 1 49 PHE H 5.500 . 5.500 5.230 5.031 5.485 . 0 0 "[ . 1 . 2 ]" 1
771 1 65 GLN H 1 68 TYR H 5.500 . 5.500 5.253 4.809 5.497 . 0 0 "[ . 1 . 2 ]" 1
772 1 78 ASP H 1 81 ALA H 4.500 . 4.500 4.252 4.126 4.346 . 0 0 "[ . 1 . 2 ]" 1
773 1 79 VAL H 1 82 VAL H 5.500 . 5.500 5.000 4.959 5.032 . 0 0 "[ . 1 . 2 ]" 1
774 1 81 ALA H 1 84 ALA H 4.500 . 5.500 4.651 4.532 4.780 . 0 0 "[ . 1 . 2 ]" 1
775 1 82 VAL H 1 85 TYR H 4.500 . 5.500 4.910 4.811 5.034 . 0 0 "[ . 1 . 2 ]" 1
776 1 86 ALA H 1 89 HIS H 5.500 . 5.500 4.927 4.775 5.263 . 0 0 "[ . 1 . 2 ]" 1
777 1 15 LYS HA 1 18 HIS H 5.500 . 6.000 5.995 5.837 6.004 0.004 14 0 "[ . 1 . 2 ]" 1
778 1 24 PRO HA 1 27 LEU H 3.500 . 4.000 3.424 3.326 3.527 . 0 0 "[ . 1 . 2 ]" 1
779 1 26 ASP HA 1 29 TYR H 3.500 . 4.000 3.212 3.120 3.326 . 0 0 "[ . 1 . 2 ]" 1
780 1 27 LEU HA 1 30 PHE H 3.500 . 4.000 3.647 3.538 3.764 . 0 0 "[ . 1 . 2 ]" 1
781 1 28 HIS HA 1 31 ARG H 3.500 . 4.000 3.598 3.467 3.711 . 0 0 "[ . 1 . 2 ]" 1
782 1 30 PHE HA 1 33 GLN H 3.500 . 4.000 3.360 3.262 3.510 . 0 0 "[ . 1 . 2 ]" 1
783 1 43 ARG HA 1 46 TYR H 3.500 . 4.000 3.379 3.258 3.496 . 0 0 "[ . 1 . 2 ]" 1
784 1 44 ARG HA 1 47 GLU H 3.500 . 4.000 3.730 3.598 3.992 . 0 0 "[ . 1 . 2 ]" 1
785 1 45 THR HA 1 48 SER H 3.500 . 4.000 3.163 3.050 3.412 . 0 0 "[ . 1 . 2 ]" 1
786 1 46 TYR HA 1 49 PHE H 4.500 . 5.000 4.025 3.820 4.422 . 0 0 "[ . 1 . 2 ]" 1
787 1 79 VAL HA 1 82 VAL H 3.500 . 4.000 3.425 3.239 3.541 . 0 0 "[ . 1 . 2 ]" 1
788 1 80 ALA HA 1 83 PHE H 3.500 . 4.000 3.421 3.364 3.658 . 0 0 "[ . 1 . 2 ]" 1
789 1 81 ALA HA 1 84 ALA H 3.500 . 4.000 3.383 3.293 3.440 . 0 0 "[ . 1 . 2 ]" 1
790 1 82 VAL HA 1 85 TYR H 3.500 . 4.000 3.625 3.505 3.741 . 0 0 "[ . 1 . 2 ]" 1
791 1 83 PHE HA 1 86 ALA H 3.500 . 4.000 3.299 3.108 3.374 . 0 0 "[ . 1 . 2 ]" 1
792 1 84 ALA HA 1 87 LYS H 3.500 . 4.000 3.461 3.351 3.708 . 0 0 "[ . 1 . 2 ]" 1
793 1 86 ALA HA 1 89 HIS H 3.500 . 4.000 3.332 3.203 3.686 . 0 0 "[ . 1 . 2 ]" 1
794 1 101 GLN HA 1 104 THR H 3.500 . 4.000 3.727 3.542 3.884 . 0 0 "[ . 1 . 2 ]" 1
795 1 102 ILE HA 1 105 ALA H 3.500 . 4.000 3.398 3.313 3.469 . 0 0 "[ . 1 . 2 ]" 1
796 1 104 THR HA 1 107 LYS H 3.500 . 4.000 3.276 3.159 3.476 . 0 0 "[ . 1 . 2 ]" 1
797 1 107 LYS HA 1 110 VAL H 4.500 . 5.500 3.892 3.509 4.236 . 0 0 "[ . 1 . 2 ]" 1
798 1 24 PRO HA 1 27 LEU HB2 2.500 . 3.000 2.626 2.367 2.795 . 0 0 "[ . 1 . 2 ]" 1
799 1 25 ASP HA 1 28 HIS QB 3.500 . 4.000 2.793 2.690 2.933 . 0 0 "[ . 1 . 2 ]" 1
800 1 26 ASP HA 1 29 TYR QB 3.500 . 4.500 2.712 2.613 2.851 . 0 0 "[ . 1 . 2 ]" 1
801 1 27 LEU HA 1 27 LEU HB3 2.500 . 3.000 2.494 2.461 2.583 . 0 0 "[ . 1 . 2 ]" 1
802 1 28 HIS HA 1 31 ARG QB 3.500 . 4.500 3.459 3.256 3.584 . 0 0 "[ . 1 . 2 ]" 1
803 1 29 TYR HA 1 32 ALA MB 3.500 . 4.500 2.487 2.354 2.628 . 0 0 "[ . 1 . 2 ]" 1
804 1 30 PHE HA 1 33 GLN QB 3.500 . 4.500 2.998 2.791 3.701 . 0 0 "[ . 1 . 2 ]" 1
805 1 43 ARG HA 1 46 TYR QB 3.500 . 4.500 2.571 2.408 2.793 . 0 0 "[ . 1 . 2 ]" 1
806 1 44 ARG HA 1 47 GLU QB 3.500 . 4.500 3.400 3.141 3.587 . 0 0 "[ . 1 . 2 ]" 1
807 1 45 THR HA 1 48 SER QB 3.500 . 4.500 2.303 1.993 2.694 . 0 0 "[ . 1 . 2 ]" 1
808 1 79 VAL HA 1 82 VAL HB 3.500 . 3.500 3.231 2.991 3.418 . 0 0 "[ . 1 . 2 ]" 1
809 1 80 ALA HA 1 83 PHE HB2 3.500 . 3.500 2.767 2.627 3.006 . 0 0 "[ . 1 . 2 ]" 1
810 1 81 ALA HA 1 84 ALA MB 3.500 . 4.500 2.469 2.211 2.701 . 0 0 "[ . 1 . 2 ]" 1
811 1 82 VAL HA 1 85 TYR QB 3.500 . 4.500 3.227 3.023 3.381 . 0 0 "[ . 1 . 2 ]" 1
812 1 83 PHE HA 1 86 ALA MB 3.500 . 4.500 2.631 2.455 2.819 . 0 0 "[ . 1 . 2 ]" 1
813 1 84 ALA HA 1 87 LYS QB 3.500 . 4.500 2.816 2.469 3.791 . 0 0 "[ . 1 . 2 ]" 1
814 1 85 TYR HA 1 88 GLN QB 3.500 . 4.500 3.235 2.995 3.907 . 0 0 "[ . 1 . 2 ]" 1
815 1 86 ALA HA 1 89 HIS QB 3.500 . 4.500 3.209 2.901 3.590 . 0 0 "[ . 1 . 2 ]" 1
816 1 102 ILE HA 1 105 ALA MB 3.500 . 4.500 2.353 2.116 2.454 . 0 0 "[ . 1 . 2 ]" 1
817 1 103 PHE HA 1 106 PHE HB2 3.500 . 4.000 3.572 3.277 3.906 . 0 0 "[ . 1 . 2 ]" 1
818 1 104 THR HA 1 107 LYS QB 3.500 . 4.500 2.063 1.954 2.401 . 0 0 "[ . 1 . 2 ]" 1
819 1 24 PRO HA 1 28 HIS H 4.500 . 5.500 4.532 4.424 4.659 . 0 0 "[ . 1 . 2 ]" 1
820 1 26 ASP HA 1 30 PHE H 4.500 . 5.500 4.488 4.352 4.714 . 0 0 "[ . 1 . 2 ]" 1
821 1 27 LEU HA 1 31 ARG H 4.500 . 5.500 5.019 4.741 5.436 . 0 0 "[ . 1 . 2 ]" 1
822 1 28 HIS HA 1 32 ALA H 4.500 . 5.500 4.853 4.534 5.331 . 0 0 "[ . 1 . 2 ]" 1
823 1 29 TYR HA 1 33 GLN H 4.500 . 5.500 4.305 4.132 4.689 . 0 0 "[ . 1 . 2 ]" 1
824 1 31 ARG HA 1 35 VAL H 4.500 . 5.500 4.204 4.052 4.379 . 0 0 "[ . 1 . 2 ]" 1
825 1 80 ALA HA 1 84 ALA H 4.500 . 5.500 4.118 3.889 4.323 . 0 0 "[ . 1 . 2 ]" 1
826 1 81 ALA HA 1 85 TYR H 4.500 . 5.500 4.317 4.097 4.523 . 0 0 "[ . 1 . 2 ]" 1
827 1 82 VAL HA 1 86 ALA H 4.500 . 5.500 4.635 4.451 4.747 . 0 0 "[ . 1 . 2 ]" 1
828 1 3 PHE HA 1 5 TRP HE3 4.500 . 4.500 4.169 3.946 4.482 . 0 0 "[ . 1 . 2 ]" 1
829 1 3 PHE HB3 1 5 TRP HE3 3.500 . 3.500 2.774 2.616 2.901 . 0 0 "[ . 1 . 2 ]" 1
830 1 3 PHE HB3 1 5 TRP HZ3 2.500 . 2.500 1.986 1.982 1.992 . 0 0 "[ . 1 . 2 ]" 1
831 1 3 PHE HB2 1 5 TRP HZ3 3.500 . 3.500 2.569 2.305 3.046 . 0 0 "[ . 1 . 2 ]" 1
832 1 5 TRP HD1 1 7 GLN H 4.500 . 4.500 4.134 3.519 4.286 . 0 0 "[ . 1 . 2 ]" 1
833 1 5 TRP HD1 1 7 GLN HA 5.500 . 5.500 4.348 4.110 4.442 . 0 0 "[ . 1 . 2 ]" 1
834 1 5 TRP HD1 1 7 GLN HB3 3.500 . 3.500 2.272 2.116 2.396 . 0 0 "[ . 1 . 2 ]" 1
835 1 5 TRP HD1 1 7 GLN HB2 5.500 . 5.500 3.920 3.713 4.054 . 0 0 "[ . 1 . 2 ]" 1
836 1 5 TRP HE1 1 7 GLN HB3 3.500 . 3.500 3.426 3.226 3.506 0.006 9 0 "[ . 1 . 2 ]" 1
837 1 5 TRP HE1 1 7 GLN HB2 5.500 . 5.500 4.226 4.030 4.351 . 0 0 "[ . 1 . 2 ]" 1
838 1 5 TRP HE1 1 7 GLN QG 3.500 . 4.500 2.394 1.936 2.683 . 0 0 "[ . 1 . 2 ]" 1
839 1 7 GLN QE 1 11 GLY H 4.500 . 5.500 4.491 3.531 4.952 . 0 0 "[ . 1 . 2 ]" 1
840 1 7 GLN QE 1 11 GLY QA 4.500 . 6.500 3.909 2.792 4.837 . 0 0 "[ . 1 . 2 ]" 1
841 1 8 ASP H 1 12 LEU HB3 4.500 . 4.500 3.097 2.915 3.406 . 0 0 "[ . 1 . 2 ]" 1
842 1 8 ASP H 1 12 LEU HB2 5.500 . 5.500 4.165 3.902 4.730 . 0 0 "[ . 1 . 2 ]" 1
843 1 8 ASP QB 1 12 LEU MD2 5.500 . 7.500 4.473 4.279 4.648 . 0 0 "[ . 1 . 2 ]" 1
844 1 12 LEU HG 1 14 GLY H 4.500 . 4.500 2.499 2.174 2.766 . 0 0 "[ . 1 . 2 ]" 1
845 1 12 LEU QB 1 14 GLY H 5.500 . 5.500 4.199 4.062 4.526 . 0 0 "[ . 1 . 2 ]" 1
846 1 12 LEU MD1 1 14 GLY H 5.500 . 6.500 3.886 3.529 4.124 . 0 0 "[ . 1 . 2 ]" 1
847 1 12 LEU MD2 1 14 GLY H 4.500 . 5.500 3.497 3.104 3.741 . 0 0 "[ . 1 . 2 ]" 1
848 1 15 LYS H 1 19 LEU HA 4.500 . 4.500 3.183 2.896 3.645 . 0 0 "[ . 1 . 2 ]" 1
849 1 15 LYS QB 1 18 HIS HE1 5.500 . 5.500 3.745 3.389 4.314 . 0 0 "[ . 1 . 2 ]" 1
850 1 15 LYS QG 1 18 HIS HE1 5.500 . 5.500 4.549 4.028 4.897 . 0 0 "[ . 1 . 2 ]" 1
851 1 16 ASP HB3 1 18 HIS HD2 4.500 . 4.500 3.166 2.472 3.694 . 0 0 "[ . 1 . 2 ]" 1
852 1 16 ASP HB2 1 18 HIS HD2 5.500 . 5.500 4.000 3.490 4.478 . 0 0 "[ . 1 . 2 ]" 1
853 1 16 ASP HB3 1 18 HIS HE1 5.500 . 5.500 4.288 4.043 4.787 . 0 0 "[ . 1 . 2 ]" 1
854 1 18 HIS HE1 1 20 PRO HA 5.500 . 5.500 3.930 3.666 4.118 . 0 0 "[ . 1 . 2 ]" 1
855 1 19 LEU HG 1 21 TRP H 5.500 . 5.500 5.498 5.483 5.505 0.005 12 0 "[ . 1 . 2 ]" 1
856 1 19 LEU HB3 1 21 TRP H 2.500 . 3.000 2.578 2.537 2.748 . 0 0 "[ . 1 . 2 ]" 1
857 1 19 LEU HB3 1 21 TRP HD1 4.500 . 4.500 4.243 4.065 4.349 . 0 0 "[ . 1 . 2 ]" 1
858 1 21 TRP HD1 1 23 LEU HA 4.400 . 4.400 4.222 4.053 4.331 . 0 0 "[ . 1 . 2 ]" 1
859 1 21 TRP HD1 1 23 LEU HB3 3.500 . 4.500 3.339 3.117 3.693 . 0 0 "[ . 1 . 2 ]" 1
860 1 21 TRP HD1 1 23 LEU HB2 3.500 . 4.500 2.442 2.213 2.641 . 0 0 "[ . 1 . 2 ]" 1
861 1 21 TRP HD1 1 23 LEU MD1 4.500 . 5.500 4.088 3.812 4.324 . 0 0 "[ . 1 . 2 ]" 1
862 1 21 TRP HD1 1 23 LEU MD2 4.500 . 5.500 4.135 3.885 4.376 . 0 0 "[ . 1 . 2 ]" 1
863 1 21 TRP HD1 1 23 LEU H 3.500 . 3.500 2.608 2.129 2.994 . 0 0 "[ . 1 . 2 ]" 1
864 1 21 TRP HD1 1 23 LEU HG 5.500 . 5.500 5.359 5.159 5.502 0.002 8 0 "[ . 1 . 2 ]" 1
865 1 22 HIS HD2 1 24 PRO QB 4.500 . 5.500 4.692 4.508 4.838 . 0 0 "[ . 1 . 2 ]" 1
866 1 22 HIS HD2 1 24 PRO QG 3.500 . 4.500 3.022 2.862 3.187 . 0 0 "[ . 1 . 2 ]" 1
867 1 22 HIS HD2 1 24 PRO QD 4.500 . 5.500 2.679 2.531 2.921 . 0 0 "[ . 1 . 2 ]" 1
868 1 22 HIS HE1 1 24 PRO QB 5.500 . 6.500 5.148 4.857 5.291 . 0 0 "[ . 1 . 2 ]" 1
869 1 22 HIS HE1 1 24 PRO QG 5.500 . 6.500 5.018 4.768 5.219 . 0 0 "[ . 1 . 2 ]" 1
870 1 23 LEU H 1 27 LEU HG 4.500 . 4.500 3.887 3.497 4.244 . 0 0 "[ . 1 . 2 ]" 1
871 1 23 LEU H 1 27 LEU MD1 6.500 . 6.500 3.597 3.124 4.061 . 0 0 "[ . 1 . 2 ]" 1
872 1 23 LEU QB 1 26 ASP H 4.500 . 5.500 3.061 3.015 3.106 . 0 0 "[ . 1 . 2 ]" 1
873 1 23 LEU HG 1 25 ASP H 5.500 . 5.500 2.901 2.782 3.077 . 0 0 "[ . 1 . 2 ]" 1
874 1 23 LEU HG 1 26 ASP H 3.500 . 3.500 2.093 1.980 2.285 . 0 0 "[ . 1 . 2 ]" 1
875 1 23 LEU HG 1 27 LEU H 4.500 . 4.500 4.356 4.292 4.435 . 0 0 "[ . 1 . 2 ]" 1
876 1 23 LEU HG 1 26 ASP HB3 3.500 . 3.500 3.500 3.487 3.505 0.005 14 0 "[ . 1 . 2 ]" 1
877 1 23 LEU HG 1 26 ASP HB2 3.500 . 3.500 3.045 2.926 3.209 . 0 0 "[ . 1 . 2 ]" 1
878 1 23 LEU MD1 1 25 ASP H 4.500 . 5.500 3.472 3.244 3.827 . 0 0 "[ . 1 . 2 ]" 1
879 1 23 LEU MD1 1 26 ASP H 4.500 . 5.500 3.821 3.710 3.997 . 0 0 "[ . 1 . 2 ]" 1
880 1 23 LEU MD2 1 26 ASP H 4.500 . 5.500 2.978 2.902 3.067 . 0 0 "[ . 1 . 2 ]" 1
881 1 23 LEU MD2 1 26 ASP HB3 3.500 . 4.500 2.851 2.560 3.047 . 0 0 "[ . 1 . 2 ]" 1
882 1 23 LEU MD2 1 26 ASP HB2 4.500 . 5.500 1.907 1.896 1.915 . 0 0 "[ . 1 . 2 ]" 1
883 1 24 PRO HA 1 27 LEU HG 4.500 . 4.500 3.322 3.085 3.745 . 0 0 "[ . 1 . 2 ]" 1
884 1 24 PRO HA 1 27 LEU MD1 3.500 . 4.500 2.204 1.970 2.442 . 0 0 "[ . 1 . 2 ]" 1
885 1 24 PRO QG 1 27 LEU MD1 4.500 . 6.500 4.359 4.145 4.513 . 0 0 "[ . 1 . 2 ]" 1
886 1 25 ASP HA 1 28 HIS HD2 3.500 . 3.500 2.803 2.616 3.036 . 0 0 "[ . 1 . 2 ]" 1
887 1 30 PHE H 1 32 ALA MB 5.500 . 6.500 4.667 4.459 4.751 . 0 0 "[ . 1 . 2 ]" 1
888 1 30 PHE HZ 1 34 THR MG 4.500 . 5.500 3.133 2.948 3.329 . 0 0 "[ . 1 . 2 ]" 1
889 1 31 ARG HA 1 34 THR HG1 3.500 . 3.500 1.952 1.725 2.450 . 0 0 "[ . 1 . 2 ]" 1
890 1 39 MET ME 1 41 VAL MG1 3.500 . 4.500 2.518 1.967 2.898 . 0 0 "[ . 1 . 2 ]" 1
891 1 39 MET ME 1 41 VAL MG2 3.500 . 4.500 2.497 2.227 2.735 . 0 0 "[ . 1 . 2 ]" 1
892 1 41 VAL HA 1 45 THR HB 5.500 . 5.500 3.942 3.666 4.281 . 0 0 "[ . 1 . 2 ]" 1
893 1 41 VAL HB 1 45 THR H 4.500 . 4.500 4.398 4.331 4.451 . 0 0 "[ . 1 . 2 ]" 1
894 1 41 VAL HB 1 45 THR HB 2.500 . 2.500 2.008 1.996 2.052 . 0 0 "[ . 1 . 2 ]" 1
895 1 49 PHE QB 1 51 LYS H 4.500 . 5.500 3.659 3.371 3.814 . 0 0 "[ . 1 . 2 ]" 1
896 1 54 LEU H 1 59 ASN QD 3.500 . 4.500 2.773 2.147 3.372 . 0 0 "[ . 1 . 2 ]" 1
897 1 54 LEU QB 1 57 ARG HE 3.500 . 4.500 3.555 2.382 3.868 . 0 0 "[ . 1 . 2 ]" 1
898 1 54 LEU MD1 1 57 ARG HE 5.500 . 7.500 5.007 4.143 5.427 . 0 0 "[ . 1 . 2 ]" 1
899 1 54 LEU MD1 1 57 ARG QD 4.500 . 6.500 2.702 2.319 3.001 . 0 0 "[ . 1 . 2 ]" 1
900 1 57 ARG H 1 59 ASN QD 4.500 . 5.500 4.463 4.045 4.810 . 0 0 "[ . 1 . 2 ]" 1
901 1 58 THR MG 1 60 VAL MG2 3.500 . 5.500 2.367 2.152 2.641 . 0 0 "[ . 1 . 2 ]" 1
902 1 58 THR MG 1 60 VAL H 5.500 . 5.500 4.141 3.734 4.326 . 0 0 "[ . 1 . 2 ]" 1
903 1 61 VAL MG1 1 63 THR HB 4.500 . 5.500 3.014 2.851 3.153 . 0 0 "[ . 1 . 2 ]" 1
904 1 61 VAL MG1 1 63 THR MG 4.500 . 6.500 3.011 2.693 3.440 . 0 0 "[ . 1 . 2 ]" 1
905 1 63 THR MG 1 68 TYR H 4.500 . 5.500 4.048 3.719 4.350 . 0 0 "[ . 1 . 2 ]" 1
906 1 70 ALA MB 1 73 ALA HA 5.500 . 6.500 4.589 4.374 4.965 . 0 0 "[ . 1 . 2 ]" 1
907 1 70 ALA H 1 75 VAL HB 5.500 . 5.500 4.560 4.015 5.281 . 0 0 "[ . 1 . 2 ]" 1
908 1 73 ALA MB 1 75 VAL H 5.500 . 5.500 4.252 4.059 4.444 . 0 0 "[ . 1 . 2 ]" 1
909 1 75 VAL MG1 1 77 HIS HE1 3.500 . 4.500 3.013 2.635 3.741 . 0 0 "[ . 1 . 2 ]" 1
910 1 75 VAL HB 1 77 HIS HE1 5.500 . 6.500 5.314 4.842 6.323 . 0 0 "[ . 1 . 2 ]" 1
911 1 76 VAL HB 1 78 ASP H 3.500 . 3.500 2.736 2.699 2.767 . 0 0 "[ . 1 . 2 ]" 1
912 1 76 VAL HB 1 81 ALA H 5.500 . 5.500 4.918 4.661 5.102 . 0 0 "[ . 1 . 2 ]" 1
913 1 76 VAL MG2 1 78 ASP H 4.500 . 5.500 3.268 2.778 3.433 . 0 0 "[ . 1 . 2 ]" 1
914 1 76 VAL MG2 1 81 ALA MB 5.500 . 6.500 3.756 2.739 3.996 . 0 0 "[ . 1 . 2 ]" 1
915 1 77 HIS H 1 81 ALA MB 4.500 . 5.500 3.065 2.826 3.340 . 0 0 "[ . 1 . 2 ]" 1
916 1 78 ASP QB 1 81 ALA H 6.500 . 6.500 2.331 2.199 3.278 . 0 0 "[ . 1 . 2 ]" 1
917 1 78 ASP QB 1 80 ALA H 4.500 . 5.500 3.150 2.572 3.362 . 0 0 "[ . 1 . 2 ]" 1
918 1 78 ASP H 1 81 ALA MB 3.500 . 4.500 2.947 2.737 3.092 . 0 0 "[ . 1 . 2 ]" 1
919 1 79 VAL HA 1 82 VAL MG2 3.500 . 4.500 2.577 2.388 2.787 . 0 0 "[ . 1 . 2 ]" 1
920 1 82 VAL HB 1 84 ALA H 5.500 . 5.500 4.841 4.695 4.973 . 0 0 "[ . 1 . 2 ]" 1
921 1 82 VAL MG1 1 85 TYR H 5.500 . 6.500 4.730 4.606 4.883 . 0 0 "[ . 1 . 2 ]" 1
922 1 84 ALA MB 1 86 ALA H 5.500 . 6.500 4.497 4.428 4.593 . 0 0 "[ . 1 . 2 ]" 1
923 1 84 ALA H 1 87 LYS QB 5.500 . 6.500 5.058 4.673 5.618 . 0 0 "[ . 1 . 2 ]" 1
924 1 84 ALA HA 1 87 LYS QD 3.500 . 4.500 3.068 1.964 3.812 . 0 0 "[ . 1 . 2 ]" 1
925 1 86 ALA HA 1 89 HIS HD2 5.500 . 6.500 5.664 5.284 6.461 . 0 0 "[ . 1 . 2 ]" 1
926 1 89 HIS QB 1 92 GLN H 4.500 . 5.500 3.041 2.806 3.269 . 0 0 "[ . 1 . 2 ]" 1
927 1 94 LEU HG 1 96 ILE MD 4.500 . 5.500 3.174 2.469 4.131 . 0 0 "[ . 1 . 2 ]" 1
928 1 96 ILE MG 1 98 GLY H 3.500 . 4.500 2.612 2.399 2.852 . 0 0 "[ . 1 . 2 ]" 1
929 1 98 GLY H 1 102 ILE QG 4.500 . 5.500 4.251 3.899 4.446 . 0 0 "[ . 1 . 2 ]" 1
930 1 98 GLY H 1 102 ILE MG 4.500 . 5.500 3.619 3.503 3.840 . 0 0 "[ . 1 . 2 ]" 1
931 1 100 ALA MB 1 103 PHE H 5.500 . 6.500 4.605 4.523 4.670 . 0 0 "[ . 1 . 2 ]" 1
932 1 102 ILE MG 1 106 PHE H 4.500 . 5.500 4.227 4.013 4.424 . 0 0 "[ . 1 . 2 ]" 1
933 1 104 THR H 1 107 LYS QB 6.500 . 6.500 4.342 4.188 4.628 . 0 0 "[ . 1 . 2 ]" 1
934 1 107 LYS QB 1 109 ASP H 6.500 . 6.500 4.714 4.353 5.369 . 0 0 "[ . 1 . 2 ]" 1
935 1 116 THR HB 1 118 LEU MD1 4.500 . 5.500 3.504 3.235 3.646 . 0 0 "[ . 1 . 2 ]" 1
936 1 116 THR MG 1 118 LEU MD1 2.500 . 4.500 2.180 2.047 2.376 . 0 0 "[ . 1 . 2 ]" 1
937 1 118 LEU HB3 1 120 GLY H 3.500 . 3.500 2.863 2.709 2.990 . 0 0 "[ . 1 . 2 ]" 1
938 1 118 LEU HB2 1 120 GLY H 5.500 . 5.500 4.534 4.369 4.668 . 0 0 "[ . 1 . 2 ]" 1
939 1 118 LEU MD2 1 122 PHE HZ 4.500 . 5.500 4.228 3.890 4.408 . 0 0 "[ . 1 . 2 ]" 1
940 1 128 MET ME 1 131 LEU MD1 2.500 . 4.500 2.479 2.256 2.763 . 0 0 "[ . 1 . 2 ]" 1
941 1 128 MET ME 1 131 LEU MD2 3.500 . 5.500 3.111 2.435 3.541 . 0 0 "[ . 1 . 2 ]" 1
942 1 130 PRO HA 1 133 TRP HE1 5.500 . 5.500 4.854 4.468 5.180 . 0 0 "[ . 1 . 2 ]" 1
943 1 131 LEU H 1 133 TRP HE1 4.500 . 4.500 3.284 2.986 3.545 . 0 0 "[ . 1 . 2 ]" 1
944 1 131 LEU HB3 1 133 TRP HD1 5.500 . 5.500 4.874 4.565 5.089 . 0 0 "[ . 1 . 2 ]" 1
945 1 131 LEU HB2 1 133 TRP HD1 4.500 . 4.500 3.858 3.727 3.969 . 0 0 "[ . 1 . 2 ]" 1
946 1 131 LEU HB3 1 133 TRP HE1 5.500 . 6.000 4.145 3.820 4.342 . 0 0 "[ . 1 . 2 ]" 1
947 1 131 LEU HB2 1 133 TRP HE1 4.500 . 5.000 2.533 2.252 2.753 . 0 0 "[ . 1 . 2 ]" 1
948 1 131 LEU HB3 1 133 TRP H 5.500 . 5.500 4.543 4.341 4.721 . 0 0 "[ . 1 . 2 ]" 1
949 1 131 LEU HB2 1 133 TRP H 4.500 . 4.500 4.401 4.360 4.452 . 0 0 "[ . 1 . 2 ]" 1
950 1 131 LEU MD1 1 133 TRP HD1 5.500 . 6.500 5.268 5.196 5.306 . 0 0 "[ . 1 . 2 ]" 1
951 1 131 LEU MD1 1 133 TRP HZ2 3.500 . 4.500 2.505 2.295 2.843 . 0 0 "[ . 1 . 2 ]" 1
952 1 132 ASN HB3 1 135 ASP H 5.500 . 5.500 3.773 3.359 4.242 . 0 0 "[ . 1 . 2 ]" 1
953 1 133 TRP HE3 1 136 PHE HB3 5.500 . 5.500 3.996 3.494 4.405 . 0 0 "[ . 1 . 2 ]" 1
954 1 133 TRP HE3 1 136 PHE HB2 5.500 . 5.500 3.302 3.109 3.512 . 0 0 "[ . 1 . 2 ]" 1
955 1 138 LYS QG 1 140 SER H 4.500 . 5.500 2.819 2.592 3.058 . 0 0 "[ . 1 . 2 ]" 1
956 1 146 ASP HB3 1 148 ASN H 4.500 . 4.500 2.709 2.509 2.830 . 0 0 "[ . 1 . 2 ]" 1
957 1 146 ASP HB2 1 148 ASN H 5.500 . 5.500 4.448 4.263 4.543 . 0 0 "[ . 1 . 2 ]" 1
958 1 148 ASN QB 1 151 LEU H 5.500 . 6.500 2.499 2.237 2.639 . 0 0 "[ . 1 . 2 ]" 1
959 1 148 ASN QB 1 151 LEU MD1 4.500 . 5.500 2.112 1.923 2.328 . 0 0 "[ . 1 . 2 ]" 1
960 1 148 ASN QB 1 151 LEU QB 4.500 . 6.500 2.527 2.202 2.723 . 0 0 "[ . 1 . 2 ]" 1
961 1 148 ASN QD 1 150 ALA MB 3.500 . 6.000 3.720 2.068 4.287 . 0 0 "[ . 1 . 2 ]" 1
962 1 148 ASN QD 1 151 LEU MD1 4.500 . 6.500 4.120 3.395 4.559 . 0 0 "[ . 1 . 2 ]" 1
963 1 149 PRO HA 1 152 THR HG1 3.500 . 3.500 2.702 2.147 3.450 . 0 0 "[ . 1 . 2 ]" 1
964 1 154 THR MG 1 156 GLU H 5.500 . 5.500 3.962 3.822 4.116 . 0 0 "[ . 1 . 2 ]" 1
965 1 156 GLU HA 1 158 TRP HE1 5.500 . 5.500 4.185 4.010 4.492 . 0 0 "[ . 1 . 2 ]" 1
966 1 156 GLU HB3 1 158 TRP HD1 4.500 . 4.500 2.786 2.598 3.046 . 0 0 "[ . 1 . 2 ]" 1
967 1 156 GLU HB2 1 158 TRP HD1 4.500 . 4.500 3.729 3.389 3.974 . 0 0 "[ . 1 . 2 ]" 1
968 1 156 GLU HB3 1 158 TRP HE1 2.500 . 2.500 1.795 1.696 2.057 . 0 0 "[ . 1 . 2 ]" 1
969 1 156 GLU HB2 1 158 TRP HE1 3.500 . 3.500 3.120 2.780 3.323 . 0 0 "[ . 1 . 2 ]" 1
970 1 3 PHE QD 1 4 LEU H 5.500 . 5.500 4.084 3.814 4.446 . 0 0 "[ . 1 . 2 ]" 1
971 1 18 HIS HA 1 19 LEU QD 5.500 . 5.500 4.432 4.103 4.607 . 0 0 "[ . 1 . 2 ]" 1
972 1 23 LEU HA 1 24 PRO QD 2.500 . 2.500 1.971 1.958 1.986 . 0 0 "[ . 1 . 2 ]" 1
973 1 29 TYR QD 1 30 PHE H 4.500 . 5.000 4.400 4.343 4.470 . 0 0 "[ . 1 . 2 ]" 1
974 1 29 TYR QD 1 30 PHE HA 5.500 . 5.500 4.358 4.260 4.465 . 0 0 "[ . 1 . 2 ]" 1
975 1 30 PHE QD 1 31 ARG H 5.500 . 5.500 3.683 3.538 3.775 . 0 0 "[ . 1 . 2 ]" 1
976 1 30 PHE QD 1 31 ARG HA 5.500 . 5.500 3.682 3.383 3.979 . 0 0 "[ . 1 . 2 ]" 1
977 1 35 VAL QG 1 36 GLY H 4.500 . 5.000 3.572 3.510 3.601 . 0 0 "[ . 1 . 2 ]" 1
978 1 46 TYR QD 1 47 GLU H 5.500 . 5.500 3.976 3.420 4.378 . 0 0 "[ . 1 . 2 ]" 1
979 1 46 TYR QD 1 47 GLU HA 5.500 . 5.500 4.092 3.761 4.451 . 0 0 "[ . 1 . 2 ]" 1
980 1 46 TYR QD 1 47 GLU QG 4.500 . 4.500 3.076 2.802 3.499 . 0 0 "[ . 1 . 2 ]" 1
981 1 49 PHE QD 1 50 PRO QD 5.500 . 5.500 2.489 1.968 2.961 . 0 0 "[ . 1 . 2 ]" 1
982 1 68 TYR QD 1 69 GLN H 4.500 . 4.500 3.235 2.935 3.569 . 0 0 "[ . 1 . 2 ]" 1
983 1 68 TYR QE 1 69 GLN H 5.500 . 5.500 4.098 3.794 4.553 . 0 0 "[ . 1 . 2 ]" 1
984 1 79 VAL QG 1 80 ALA H 5.500 . 5.500 3.336 3.311 3.375 . 0 0 "[ . 1 . 2 ]" 1
985 1 83 PHE QD 1 84 ALA H 5.500 . 5.500 4.553 4.499 4.651 . 0 0 "[ . 1 . 2 ]" 1
986 1 85 TYR QD 1 86 ALA H 5.500 . 5.500 3.831 3.647 4.183 . 0 0 "[ . 1 . 2 ]" 1
987 1 94 LEU QD 1 95 VAL H 4.500 . 4.500 2.903 2.003 3.325 . 0 0 "[ . 1 . 2 ]" 1
988 1 98 GLY QA 1 99 GLY QA 3.500 . 3.500 1.983 1.952 2.002 . 0 0 "[ . 1 . 2 ]" 1
989 1 103 PHE QD 1 104 THR H 5.500 . 5.500 4.315 4.253 4.439 . 0 0 "[ . 1 . 2 ]" 1
990 1 105 ALA MB 1 106 PHE QD 5.500 . 5.500 2.697 2.096 3.218 . 0 0 "[ . 1 . 2 ]" 1
991 1 107 LYS QD 1 108 ASP H 5.500 . 5.500 4.078 2.480 5.401 . 0 0 "[ . 1 . 2 ]" 1
992 1 114 LEU HA 1 115 VAL QG 5.500 . 5.500 3.677 3.609 3.728 . 0 0 "[ . 1 . 2 ]" 1
993 1 115 VAL QG 1 116 THR H 3.500 . 3.500 2.399 2.214 2.538 . 0 0 "[ . 1 . 2 ]" 1
994 1 121 SER HA 1 122 PHE QD 4.500 . 4.500 3.688 3.387 4.097 . 0 0 "[ . 1 . 2 ]" 1
995 1 135 ASP H 1 136 PHE QE 5.500 . 5.500 4.671 4.299 5.135 . 0 0 "[ . 1 . 2 ]" 1
996 1 135 ASP H 1 136 PHE QD 3.500 . 3.500 3.201 2.746 3.465 . 0 0 "[ . 1 . 2 ]" 1
997 1 136 PHE QD 1 137 THR H 4.500 . 4.500 3.316 3.034 3.696 . 0 0 "[ . 1 . 2 ]" 1
998 1 139 VAL QG 1 140 SER H 4.500 . 4.500 2.070 1.976 2.150 . 0 0 "[ . 1 . 2 ]" 1
999 1 155 TYR QD 1 156 GLU H 5.500 . 5.500 4.570 4.377 4.732 . 0 0 "[ . 1 . 2 ]" 1
1000 1 157 VAL QG 1 158 TRP H 4.500 . 4.500 3.107 2.936 3.251 . 0 0 "[ . 1 . 2 ]" 1
1001 1 157 VAL QG 1 158 TRP HD1 5.500 . 6.500 4.238 4.147 4.357 . 0 0 "[ . 1 . 2 ]" 1
1002 1 4 LEU H 1 5 TRP H 5.500 . 5.500 3.890 3.718 4.076 . 0 0 "[ . 1 . 2 ]" 1
1003 1 5 TRP H 1 6 ALA H 5.500 . 5.500 4.379 4.232 4.424 . 0 0 "[ . 1 . 2 ]" 1
1004 1 6 ALA H 1 7 GLN H 4.500 . 4.500 4.362 4.279 4.404 . 0 0 "[ . 1 . 2 ]" 1
1005 1 7 GLN H 1 8 ASP H 5.500 . 5.500 4.464 4.442 4.498 . 0 0 "[ . 1 . 2 ]" 1
1006 1 9 ARG H 1 10 ASP H 3.500 . 3.500 2.677 2.664 2.691 . 0 0 "[ . 1 . 2 ]" 1
1007 1 10 ASP H 1 11 GLY H 2.500 . 3.000 2.799 2.717 2.812 . 0 0 "[ . 1 . 2 ]" 1
1008 1 11 GLY H 1 12 LEU H 3.500 . 3.500 2.675 2.551 2.703 . 0 0 "[ . 1 . 2 ]" 1
1009 1 12 LEU H 1 13 ILE H 5.500 . 5.500 4.548 4.490 4.564 . 0 0 "[ . 1 . 2 ]" 1
1010 1 13 ILE H 1 14 GLY H 2.500 . 2.500 1.781 1.683 2.012 . 0 0 "[ . 1 . 2 ]" 1
1011 1 15 LYS H 1 16 ASP H 5.500 . 5.500 3.954 3.832 4.270 . 0 0 "[ . 1 . 2 ]" 1
1012 1 16 ASP H 1 17 GLY H 3.500 . 3.500 2.697 2.676 2.743 . 0 0 "[ . 1 . 2 ]" 1
1013 1 17 GLY H 1 18 HIS H 4.500 . 4.500 3.559 3.257 3.600 . 0 0 "[ . 1 . 2 ]" 1
1014 1 25 ASP H 1 26 ASP H 2.500 . 3.500 2.732 2.673 2.807 . 0 0 "[ . 1 . 2 ]" 1
1015 1 26 ASP H 1 27 LEU H 2.500 . 3.500 2.632 2.536 2.683 . 0 0 "[ . 1 . 2 ]" 1
1016 1 27 LEU H 1 28 HIS H 2.500 . 3.500 2.566 2.470 2.633 . 0 0 "[ . 1 . 2 ]" 1
1017 1 28 HIS H 1 29 TYR H 2.500 . 3.500 2.327 2.284 2.375 . 0 0 "[ . 1 . 2 ]" 1
1018 1 29 TYR H 1 30 PHE H 2.500 . 3.500 2.510 2.443 2.602 . 0 0 "[ . 1 . 2 ]" 1
1019 1 30 PHE H 1 31 ARG H 3.500 . 3.500 2.709 2.661 2.779 . 0 0 "[ . 1 . 2 ]" 1
1020 1 31 ARG H 1 32 ALA H 3.500 . 3.500 2.619 2.574 2.741 . 0 0 "[ . 1 . 2 ]" 1
1021 1 32 ALA H 1 33 GLN H 3.500 . 3.500 2.397 2.134 2.469 . 0 0 "[ . 1 . 2 ]" 1
1022 1 33 GLN H 1 34 THR H 2.500 . 3.000 2.865 2.721 2.912 . 0 0 "[ . 1 . 2 ]" 1
1023 1 34 THR H 1 35 VAL H 2.500 . 2.500 1.788 1.709 1.839 . 0 0 "[ . 1 . 2 ]" 1
1024 1 35 VAL H 1 36 GLY H 5.500 . 5.500 4.574 4.552 4.618 . 0 0 "[ . 1 . 2 ]" 1
1025 1 36 GLY H 1 37 LYS H 4.500 . 4.500 2.528 2.350 2.865 . 0 0 "[ . 1 . 2 ]" 1
1026 1 38 ILE H 1 39 MET H 5.500 . 5.500 4.321 4.169 4.528 . 0 0 "[ . 1 . 2 ]" 1
1027 1 41 VAL H 1 42 GLY H 5.500 . 5.500 4.443 4.395 4.481 . 0 0 "[ . 1 . 2 ]" 1
1028 1 43 ARG H 1 44 ARG H 3.500 . 3.500 2.445 2.366 2.583 . 0 0 "[ . 1 . 2 ]" 1
1029 1 44 ARG H 1 45 THR H 3.500 . 3.500 2.589 2.498 2.683 . 0 0 "[ . 1 . 2 ]" 1
1030 1 45 THR H 1 46 TYR H 3.500 . 3.500 2.463 2.367 2.550 . 0 0 "[ . 1 . 2 ]" 1
1031 1 46 TYR H 1 47 GLU H 3.500 . 3.500 2.673 2.563 2.863 . 0 0 "[ . 1 . 2 ]" 1
1032 1 47 GLU H 1 48 SER H 3.500 . 3.500 2.383 2.230 2.640 . 0 0 "[ . 1 . 2 ]" 1
1033 1 48 SER H 1 49 PHE H 3.500 . 3.500 2.640 2.611 2.762 . 0 0 "[ . 1 . 2 ]" 1
1034 1 51 LYS H 1 52 ARG H 5.500 . 5.500 3.979 3.520 4.552 . 0 0 "[ . 1 . 2 ]" 1
1035 1 56 GLU H 1 57 ARG H 3.500 . 3.500 2.662 2.647 2.680 . 0 0 "[ . 1 . 2 ]" 1
1036 1 57 ARG H 1 58 THR H 4.500 . 4.500 4.358 4.229 4.389 . 0 0 "[ . 1 . 2 ]" 1
1037 1 59 ASN H 1 60 VAL H 4.500 . 4.500 4.236 3.962 4.414 . 0 0 "[ . 1 . 2 ]" 1
1038 1 63 THR H 1 64 HIS H 5.500 . 5.500 4.384 4.237 4.450 . 0 0 "[ . 1 . 2 ]" 1
1039 1 66 GLU H 1 67 ASP H 3.500 . 3.500 2.931 2.393 3.002 . 0 0 "[ . 1 . 2 ]" 1
1040 1 67 ASP H 1 68 TYR H 2.500 . 2.500 2.092 1.767 2.451 . 0 0 "[ . 1 . 2 ]" 1
1041 1 68 TYR H 1 69 GLN H 5.500 . 5.500 4.648 4.555 4.684 . 0 0 "[ . 1 . 2 ]" 1
1042 1 69 GLN H 1 70 ALA H 4.500 . 4.500 4.089 3.775 4.489 . 0 0 "[ . 1 . 2 ]" 1
1043 1 70 ALA H 1 71 GLN H 4.500 . 4.500 4.361 4.066 4.483 . 0 0 "[ . 1 . 2 ]" 1
1044 1 72 GLY H 1 73 ALA H 4.500 . 4.500 2.522 2.381 2.636 . 0 0 "[ . 1 . 2 ]" 1
1045 1 73 ALA H 1 74 VAL H 4.500 . 4.500 4.303 4.193 4.391 . 0 0 "[ . 1 . 2 ]" 1
1046 1 74 VAL H 1 75 VAL H 4.500 . 4.500 4.230 4.091 4.335 . 0 0 "[ . 1 . 2 ]" 1
1047 1 75 VAL H 1 76 VAL H 4.500 . 4.500 4.283 4.173 4.470 . 0 0 "[ . 1 . 2 ]" 1
1048 1 77 HIS H 1 78 ASP H 3.500 . 3.500 2.299 2.204 2.396 . 0 0 "[ . 1 . 2 ]" 1
1049 1 78 ASP H 1 79 VAL H 4.500 . 4.500 4.277 4.222 4.323 . 0 0 "[ . 1 . 2 ]" 1
1050 1 80 ALA H 1 81 ALA H 3.500 . 3.500 2.566 2.520 2.610 . 0 0 "[ . 1 . 2 ]" 1
1051 1 81 ALA H 1 82 VAL H 3.500 . 3.500 2.595 2.475 2.639 . 0 0 "[ . 1 . 2 ]" 1
1052 1 82 VAL H 1 83 PHE H 3.500 . 3.500 2.620 2.571 2.682 . 0 0 "[ . 1 . 2 ]" 1
1053 1 83 PHE H 1 84 ALA H 3.500 . 3.500 2.505 2.407 2.555 . 0 0 "[ . 1 . 2 ]" 1
1054 1 84 ALA H 1 85 TYR H 3.500 . 3.500 2.619 2.567 2.650 . 0 0 "[ . 1 . 2 ]" 1
1055 1 85 TYR H 1 86 ALA H 3.500 . 3.500 2.549 2.283 2.659 . 0 0 "[ . 1 . 2 ]" 1
1056 1 86 ALA H 1 87 LYS H 3.500 . 3.500 2.538 2.443 2.577 . 0 0 "[ . 1 . 2 ]" 1
1057 1 87 LYS H 1 88 GLN H 3.500 . 3.500 2.651 2.579 2.715 . 0 0 "[ . 1 . 2 ]" 1
1058 1 88 GLN H 1 89 HIS H 3.500 . 3.500 2.580 2.484 2.726 . 0 0 "[ . 1 . 2 ]" 1
1059 1 91 ASP H 1 92 GLN H 3.500 . 3.500 2.492 2.057 2.628 . 0 0 "[ . 1 . 2 ]" 1
1060 1 92 GLN H 1 93 GLU H 5.500 . 5.500 4.535 4.511 4.567 . 0 0 "[ . 1 . 2 ]" 1
1061 1 94 LEU H 1 95 VAL H 5.500 . 5.500 4.526 4.345 4.624 . 0 0 "[ . 1 . 2 ]" 1
1062 1 95 VAL H 1 96 ILE H 5.500 . 5.500 4.282 4.086 4.442 . 0 0 "[ . 1 . 2 ]" 1
1063 1 96 ILE H 1 97 ALA H 5.500 . 5.500 4.472 4.377 4.581 . 0 0 "[ . 1 . 2 ]" 1
1064 1 97 ALA H 1 98 GLY H 2.500 . 2.500 2.034 1.892 2.151 . 0 0 "[ . 1 . 2 ]" 1
1065 1 101 GLN H 1 102 ILE H 3.500 . 3.500 2.523 2.470 2.599 . 0 0 "[ . 1 . 2 ]" 1
1066 1 102 ILE H 1 103 PHE H 3.500 . 3.500 2.504 2.443 2.571 . 0 0 "[ . 1 . 2 ]" 1
1067 1 103 PHE H 1 104 THR H 3.500 . 3.500 2.771 2.638 2.861 . 0 0 "[ . 1 . 2 ]" 1
1068 1 104 THR H 1 105 ALA H 3.500 . 3.500 2.619 2.530 2.662 . 0 0 "[ . 1 . 2 ]" 1
1069 1 105 ALA H 1 106 PHE H 3.500 . 3.500 2.559 2.363 2.732 . 0 0 "[ . 1 . 2 ]" 1
1070 1 106 PHE H 1 107 LYS H 3.500 . 3.500 2.430 2.291 2.606 . 0 0 "[ . 1 . 2 ]" 1
1071 1 107 LYS H 1 108 ASP H 3.500 . 3.500 2.564 2.450 2.670 . 0 0 "[ . 1 . 2 ]" 1
1072 1 108 ASP H 1 109 ASP H 3.500 . 3.500 2.758 2.602 3.033 . 0 0 "[ . 1 . 2 ]" 1
1073 1 109 ASP H 1 110 VAL H 3.500 . 3.500 2.560 2.083 3.178 . 0 0 "[ . 1 . 2 ]" 1
1074 1 110 VAL H 1 111 ASP H 5.500 . 5.500 4.613 4.568 4.654 . 0 0 "[ . 1 . 2 ]" 1
1075 1 111 ASP H 1 112 THR H 2.500 . 2.500 2.297 1.976 2.503 0.003 8 0 "[ . 1 . 2 ]" 1
1076 1 113 LEU H 1 114 LEU H 4.500 . 4.500 3.920 3.621 4.342 . 0 0 "[ . 1 . 2 ]" 1
1077 1 114 LEU H 1 115 VAL H 4.500 . 4.500 4.315 4.162 4.493 . 0 0 "[ . 1 . 2 ]" 1
1078 1 119 ALA H 1 120 GLY H 3.500 . 3.500 2.556 2.477 2.637 . 0 0 "[ . 1 . 2 ]" 1
1079 1 120 GLY H 1 121 SER H 5.500 . 5.500 4.585 4.545 4.632 . 0 0 "[ . 1 . 2 ]" 1
1080 1 121 SER H 1 122 PHE H 4.500 . 5.000 4.630 4.614 4.651 . 0 0 "[ . 1 . 2 ]" 1
1081 1 123 GLU H 1 124 GLY H 5.500 . 5.500 4.620 4.580 4.652 . 0 0 "[ . 1 . 2 ]" 1
1082 1 124 GLY H 1 125 ASP H 4.500 . 4.500 3.891 3.693 4.067 . 0 0 "[ . 1 . 2 ]" 1
1083 1 125 ASP H 1 126 THR H 2.500 . 2.500 1.810 1.694 2.073 . 0 0 "[ . 1 . 2 ]" 1
1084 1 126 THR H 1 127 LYS H 5.500 . 5.500 4.538 4.232 4.623 . 0 0 "[ . 1 . 2 ]" 1
1085 1 127 LYS H 1 128 MET H 5.500 . 5.500 4.512 4.476 4.574 . 0 0 "[ . 1 . 2 ]" 1
1086 1 128 MET H 1 129 ILE H 5.500 . 5.500 4.613 4.594 4.652 . 0 0 "[ . 1 . 2 ]" 1
1087 1 131 LEU H 1 132 ASN H 5.500 . 5.500 4.609 4.547 4.654 . 0 0 "[ . 1 . 2 ]" 1
1088 1 132 ASN H 1 133 TRP H 5.500 . 5.500 4.047 3.986 4.088 . 0 0 "[ . 1 . 2 ]" 1
1089 1 133 TRP H 1 134 ASP H 3.500 . 3.500 2.570 2.515 2.616 . 0 0 "[ . 1 . 2 ]" 1
1090 1 134 ASP H 1 135 ASP H 3.500 . 3.500 2.692 2.630 2.776 . 0 0 "[ . 1 . 2 ]" 1
1091 1 135 ASP H 1 136 PHE H 3.500 . 3.500 2.586 1.873 2.977 . 0 0 "[ . 1 . 2 ]" 1
1092 1 136 PHE H 1 137 THR H 5.500 . 5.500 4.458 4.420 4.624 . 0 0 "[ . 1 . 2 ]" 1
1093 1 137 THR H 1 138 LYS H 4.500 . 4.500 4.274 4.108 4.375 . 0 0 "[ . 1 . 2 ]" 1
1094 1 138 LYS H 1 139 VAL H 5.500 . 5.500 4.585 4.428 4.680 . 0 0 "[ . 1 . 2 ]" 1
1095 1 139 VAL H 1 140 SER H 4.500 . 4.500 1.972 1.738 2.268 . 0 0 "[ . 1 . 2 ]" 1
1096 1 140 SER H 1 141 SER H 4.500 . 4.500 4.407 4.362 4.447 . 0 0 "[ . 1 . 2 ]" 1
1097 1 141 SER H 1 142 ARG H 4.500 . 4.500 4.052 3.803 4.377 . 0 0 "[ . 1 . 2 ]" 1
1098 1 144 VAL H 1 145 GLU H 4.500 . 4.500 4.217 4.134 4.358 . 0 0 "[ . 1 . 2 ]" 1
1099 1 145 GLU H 1 146 ASP H 4.500 . 4.500 4.391 4.334 4.456 . 0 0 "[ . 1 . 2 ]" 1
1100 1 146 ASP H 1 147 THR H 5.500 . 5.500 4.471 4.445 4.530 . 0 0 "[ . 1 . 2 ]" 1
1101 1 147 THR H 1 148 ASN H 3.500 . 3.500 2.596 2.543 2.711 . 0 0 "[ . 1 . 2 ]" 1
1102 1 150 ALA H 1 151 LEU H 3.500 . 3.500 2.570 2.323 2.675 . 0 0 "[ . 1 . 2 ]" 1
1103 1 151 LEU H 1 152 THR H 3.500 . 3.500 2.797 2.511 2.865 . 0 0 "[ . 1 . 2 ]" 1
1104 1 152 THR H 1 153 HIS H 4.500 . 5.000 4.609 4.563 4.670 . 0 0 "[ . 1 . 2 ]" 1
1105 1 154 THR H 1 155 TYR H 5.500 . 5.500 4.325 4.245 4.375 . 0 0 "[ . 1 . 2 ]" 1
1106 1 155 TYR H 1 156 GLU H 5.500 . 5.500 4.159 4.093 4.242 . 0 0 "[ . 1 . 2 ]" 1
1107 1 156 GLU H 1 157 VAL H 4.500 . 5.000 4.607 4.545 4.657 . 0 0 "[ . 1 . 2 ]" 1
1108 1 159 GLN H 1 160 LYS H 4.500 . 4.500 4.347 4.279 4.400 . 0 0 "[ . 1 . 2 ]" 1
1109 1 161 LYS H 1 162 ALA H 4.500 . 4.500 4.179 3.696 4.452 . 0 0 "[ . 1 . 2 ]" 1
1110 1 1 THR HA 1 2 ALA H 2.500 . 2.500 2.332 2.189 2.479 . 0 0 "[ . 1 . 2 ]" 1
1111 1 2 ALA HA 1 3 PHE H 2.500 . 2.500 2.209 2.185 2.268 . 0 0 "[ . 1 . 2 ]" 1
1112 1 3 PHE HA 1 4 LEU H 2.500 . 2.500 2.294 2.186 2.417 . 0 0 "[ . 1 . 2 ]" 1
1113 1 4 LEU HA 1 5 TRP H 2.500 . 2.500 2.204 2.194 2.216 . 0 0 "[ . 1 . 2 ]" 1
1114 1 5 TRP HA 1 6 ALA H 2.500 . 2.500 2.271 2.200 2.319 . 0 0 "[ . 1 . 2 ]" 1
1115 1 6 ALA HA 1 7 GLN H 2.500 . 2.500 2.197 2.189 2.210 . 0 0 "[ . 1 . 2 ]" 1
1116 1 7 GLN HA 1 8 ASP H 2.500 . 3.000 2.329 2.284 2.403 . 0 0 "[ . 1 . 2 ]" 1
1117 1 8 ASP HA 1 9 ARG H 3.500 . 4.000 2.500 2.479 2.515 . 0 0 "[ . 1 . 2 ]" 1
1118 1 10 ASP HA 1 11 GLY H 3.500 . 4.000 3.160 3.143 3.316 . 0 0 "[ . 1 . 2 ]" 1
1119 1 11 GLY QA 1 12 LEU H 3.500 . 4.500 2.764 2.697 2.794 . 0 0 "[ . 1 . 2 ]" 1
1120 1 12 LEU HA 1 13 ILE H 2.500 . 2.500 2.428 2.320 2.473 . 0 0 "[ . 1 . 2 ]" 1
1121 1 13 ILE HA 1 14 GLY H 4.500 . 4.500 3.515 3.491 3.557 . 0 0 "[ . 1 . 2 ]" 1
1122 1 14 GLY QA 1 15 LYS H 3.500 . 4.500 2.307 2.230 2.322 . 0 0 "[ . 1 . 2 ]" 1
1123 1 15 LYS HA 1 16 ASP H 2.500 . 3.000 2.192 2.184 2.286 . 0 0 "[ . 1 . 2 ]" 1
1124 1 16 ASP HA 1 17 GLY H 3.500 . 3.500 2.951 2.900 3.223 . 0 0 "[ . 1 . 2 ]" 1
1125 1 17 GLY QA 1 18 HIS H 3.500 . 4.500 2.535 2.505 2.663 . 0 0 "[ . 1 . 2 ]" 1
1126 1 20 PRO HA 1 21 TRP H 3.500 . 4.000 3.515 3.495 3.537 . 0 0 "[ . 1 . 2 ]" 1
1127 1 21 TRP HA 1 22 HIS H 3.500 . 4.000 2.534 2.368 2.722 . 0 0 "[ . 1 . 2 ]" 1
1128 1 22 HIS HA 1 23 LEU H 3.500 . 4.000 2.261 2.209 2.357 . 0 0 "[ . 1 . 2 ]" 1
1129 1 25 ASP HA 1 26 ASP H 5.500 . 5.500 3.567 3.546 3.582 . 0 0 "[ . 1 . 2 ]" 1
1130 1 26 ASP HA 1 27 LEU H 4.500 . 5.000 3.533 3.503 3.558 . 0 0 "[ . 1 . 2 ]" 1
1131 1 27 LEU HA 1 28 HIS H 4.500 . 5.000 3.479 3.474 3.486 . 0 0 "[ . 1 . 2 ]" 1
1132 1 28 HIS HA 1 29 TYR H 4.500 . 5.000 3.504 3.478 3.514 . 0 0 "[ . 1 . 2 ]" 1
1133 1 29 TYR HA 1 30 PHE H 3.500 . 4.000 3.489 3.478 3.502 . 0 0 "[ . 1 . 2 ]" 1
1134 1 30 PHE HA 1 31 ARG H 4.500 . 5.000 3.570 3.566 3.582 . 0 0 "[ . 1 . 2 ]" 1
1135 1 31 ARG HA 1 32 ALA H 3.500 . 4.000 3.478 3.280 3.519 . 0 0 "[ . 1 . 2 ]" 1
1136 1 32 ALA HA 1 33 GLN H 3.500 . 4.000 3.509 3.487 3.532 . 0 0 "[ . 1 . 2 ]" 1
1137 1 33 GLN HA 1 34 THR H 3.500 . 4.000 2.922 2.889 2.963 . 0 0 "[ . 1 . 2 ]" 1
1138 1 34 THR HA 1 35 VAL H 3.500 . 4.000 3.523 3.495 3.536 . 0 0 "[ . 1 . 2 ]" 1
1139 1 35 VAL HA 1 36 GLY H 2.500 . 3.000 2.195 2.188 2.214 . 0 0 "[ . 1 . 2 ]" 1
1140 1 36 GLY QA 1 37 LYS H 3.500 . 4.500 2.795 2.752 2.863 . 0 0 "[ . 1 . 2 ]" 1
1141 1 37 LYS HA 1 38 ILE H 4.500 . 5.000 2.486 2.432 2.719 . 0 0 "[ . 1 . 2 ]" 1
1142 1 38 ILE HA 1 39 MET H 2.500 . 3.000 2.212 2.186 2.248 . 0 0 "[ . 1 . 2 ]" 1
1143 1 40 VAL HA 1 41 VAL H 2.500 . 3.000 2.187 2.185 2.203 . 0 0 "[ . 1 . 2 ]" 1
1144 1 41 VAL HA 1 42 GLY H 2.500 . 3.000 2.527 2.397 2.688 . 0 0 "[ . 1 . 2 ]" 1
1145 1 42 GLY QA 1 43 ARG H 3.500 . 4.500 2.302 2.277 2.323 . 0 0 "[ . 1 . 2 ]" 1
1146 1 43 ARG HA 1 44 ARG H 3.500 . 4.000 3.541 3.519 3.564 . 0 0 "[ . 1 . 2 ]" 1
1147 1 44 ARG HA 1 45 THR H 3.500 . 4.000 3.543 3.515 3.576 . 0 0 "[ . 1 . 2 ]" 1
1148 1 45 THR HA 1 46 TYR H 4.500 . 5.000 3.499 3.488 3.516 . 0 0 "[ . 1 . 2 ]" 1
1149 1 46 TYR HA 1 47 GLU H 4.500 . 5.000 3.549 3.507 3.586 . 0 0 "[ . 1 . 2 ]" 1
1150 1 47 GLU HA 1 48 SER H 4.500 . 5.000 3.474 3.429 3.493 . 0 0 "[ . 1 . 2 ]" 1
1151 1 48 SER HA 1 49 PHE H 3.500 . 4.000 3.464 3.204 3.508 . 0 0 "[ . 1 . 2 ]" 1
1152 1 51 LYS HA 1 52 ARG H 2.500 . 3.000 2.299 2.192 2.469 . 0 0 "[ . 1 . 2 ]" 1
1153 1 53 PRO HA 1 54 LEU H 2.500 . 3.000 2.445 2.258 2.772 . 0 0 "[ . 1 . 2 ]" 1
1154 1 55 PRO HA 1 56 GLU H 2.500 . 3.000 2.577 2.412 2.651 . 0 0 "[ . 1 . 2 ]" 1
1155 1 56 GLU HA 1 57 ARG H 3.500 . 4.000 2.994 2.944 3.062 . 0 0 "[ . 1 . 2 ]" 1
1156 1 57 ARG HA 1 58 THR H 3.500 . 4.000 2.539 2.277 2.744 . 0 0 "[ . 1 . 2 ]" 1
1157 1 58 THR HA 1 59 ASN H 2.500 . 3.000 2.215 2.185 2.326 . 0 0 "[ . 1 . 2 ]" 1
1158 1 59 ASN HA 1 60 VAL H 2.500 . 3.000 2.219 2.185 2.261 . 0 0 "[ . 1 . 2 ]" 1
1159 1 60 VAL HA 1 61 VAL H 2.500 . 3.000 2.244 2.185 2.320 . 0 0 "[ . 1 . 2 ]" 1
1160 1 65 GLN HA 1 66 GLU H 2.500 . 3.000 2.217 2.187 2.375 . 0 0 "[ . 1 . 2 ]" 1
1161 1 66 GLU HA 1 67 ASP H 3.500 . 4.000 2.977 2.945 3.226 . 0 0 "[ . 1 . 2 ]" 1
1162 1 67 ASP HA 1 68 TYR H 4.500 . 5.000 3.527 3.489 3.553 . 0 0 "[ . 1 . 2 ]" 1
1163 1 68 TYR HA 1 69 GLN H 2.500 . 3.000 2.269 2.188 2.375 . 0 0 "[ . 1 . 2 ]" 1
1164 1 70 ALA HA 1 71 GLN H 2.500 . 3.000 2.192 2.185 2.235 . 0 0 "[ . 1 . 2 ]" 1
1165 1 71 GLN HA 1 72 GLY H 3.500 . 4.000 2.207 2.185 2.258 . 0 0 "[ . 1 . 2 ]" 1
1166 1 72 GLY QA 1 73 ALA H 3.500 . 4.500 2.749 2.663 2.784 . 0 0 "[ . 1 . 2 ]" 1
1167 1 73 ALA HA 1 74 VAL H 3.500 . 4.000 2.278 2.209 2.391 . 0 0 "[ . 1 . 2 ]" 1
1168 1 74 VAL HA 1 75 VAL H 2.500 . 3.000 2.256 2.218 2.286 . 0 0 "[ . 1 . 2 ]" 1
1169 1 75 VAL HA 1 76 VAL H 2.500 . 3.000 2.237 2.187 2.272 . 0 0 "[ . 1 . 2 ]" 1
1170 1 76 VAL HA 1 77 HIS H 2.500 . 3.000 2.410 2.313 2.647 . 0 0 "[ . 1 . 2 ]" 1
1171 1 77 HIS HA 1 78 ASP H 4.500 . 5.000 2.972 2.958 2.994 . 0 0 "[ . 1 . 2 ]" 1
1172 1 78 ASP HA 1 79 VAL H 3.500 . 4.000 2.281 2.249 2.334 . 0 0 "[ . 1 . 2 ]" 1
1173 1 79 VAL HA 1 80 ALA H 4.500 . 5.000 3.526 3.515 3.536 . 0 0 "[ . 1 . 2 ]" 1
1174 1 81 ALA HA 1 82 VAL H 4.500 . 5.000 3.538 3.528 3.548 . 0 0 "[ . 1 . 2 ]" 1
1175 1 82 VAL HA 1 83 PHE H 4.500 . 5.000 3.554 3.526 3.572 . 0 0 "[ . 1 . 2 ]" 1
1176 1 83 PHE HA 1 84 ALA H 3.500 . 4.000 3.512 3.496 3.526 . 0 0 "[ . 1 . 2 ]" 1
1177 1 84 ALA HA 1 85 TYR H 4.500 . 5.000 3.539 3.497 3.555 . 0 0 "[ . 1 . 2 ]" 1
1178 1 85 TYR HA 1 86 ALA H 3.500 . 4.000 3.533 3.485 3.562 . 0 0 "[ . 1 . 2 ]" 1
1179 1 86 ALA HA 1 87 LYS H 3.500 . 4.000 3.507 3.481 3.527 . 0 0 "[ . 1 . 2 ]" 1
1180 1 88 GLN HA 1 89 HIS H 3.500 . 4.000 3.496 3.249 3.539 . 0 0 "[ . 1 . 2 ]" 1
1181 1 91 ASP HA 1 92 GLN H 3.500 . 4.000 3.493 3.483 3.518 . 0 0 "[ . 1 . 2 ]" 1
1182 1 92 GLN HA 1 93 GLU H 2.500 . 3.000 2.539 2.205 2.609 . 0 0 "[ . 1 . 2 ]" 1
1183 1 93 GLU HA 1 94 LEU H 2.500 . 3.000 2.356 2.263 2.526 . 0 0 "[ . 1 . 2 ]" 1
1184 1 94 LEU HA 1 95 VAL H 2.500 . 3.000 2.213 2.185 2.291 . 0 0 "[ . 1 . 2 ]" 1
1185 1 95 VAL HA 1 96 ILE H 2.500 . 3.000 2.198 2.185 2.236 . 0 0 "[ . 1 . 2 ]" 1
1186 1 96 ILE HA 1 97 ALA H 2.500 . 3.000 2.195 2.183 2.256 . 0 0 "[ . 1 . 2 ]" 1
1187 1 99 GLY QA 1 100 ALA H 4.500 . 5.500 2.246 2.229 2.261 . 0 0 "[ . 1 . 2 ]" 1
1188 1 100 ALA HA 1 101 GLN H 4.500 . 5.000 3.519 3.475 3.566 . 0 0 "[ . 1 . 2 ]" 1
1189 1 101 GLN HA 1 102 ILE H 4.500 . 5.000 3.505 3.475 3.548 . 0 0 "[ . 1 . 2 ]" 1
1190 1 102 ILE HA 1 103 PHE H 3.500 . 4.000 3.539 3.513 3.555 . 0 0 "[ . 1 . 2 ]" 1
1191 1 103 PHE HA 1 104 THR H 4.500 . 5.000 3.578 3.559 3.586 . 0 0 "[ . 1 . 2 ]" 1
1192 1 104 THR HA 1 105 ALA H 3.500 . 4.000 3.482 3.431 3.534 . 0 0 "[ . 1 . 2 ]" 1
1193 1 105 ALA HA 1 106 PHE H 3.500 . 4.000 3.531 3.477 3.583 . 0 0 "[ . 1 . 2 ]" 1
1194 1 106 PHE HA 1 107 LYS H 3.500 . 4.000 3.149 3.078 3.273 . 0 0 "[ . 1 . 2 ]" 1
1195 1 107 LYS HA 1 108 ASP H 3.500 . 4.000 3.494 3.472 3.542 . 0 0 "[ . 1 . 2 ]" 1
1196 1 108 ASP HA 1 109 ASP H 4.500 . 5.000 3.307 2.959 3.569 . 0 0 "[ . 1 . 2 ]" 1
1197 1 109 ASP HA 1 110 VAL H 3.500 . 4.000 2.852 2.615 2.937 . 0 0 "[ . 1 . 2 ]" 1
1198 1 110 VAL HA 1 111 ASP H 2.500 . 3.000 2.317 2.248 2.388 . 0 0 "[ . 1 . 2 ]" 1
1199 1 111 ASP HA 1 112 THR H 3.500 . 4.000 3.581 3.566 3.587 . 0 0 "[ . 1 . 2 ]" 1
1200 1 112 THR HA 1 113 LEU H 2.500 . 3.000 2.311 2.187 2.438 . 0 0 "[ . 1 . 2 ]" 1
1201 1 113 LEU HA 1 114 LEU H 2.500 . 3.000 2.264 2.198 2.329 . 0 0 "[ . 1 . 2 ]" 1
1202 1 114 LEU HA 1 115 VAL H 2.500 . 3.000 2.207 2.188 2.232 . 0 0 "[ . 1 . 2 ]" 1
1203 1 115 VAL HA 1 116 THR H 2.500 . 3.000 2.238 2.208 2.285 . 0 0 "[ . 1 . 2 ]" 1
1204 1 116 THR HA 1 117 ARG H 2.500 . 3.000 2.237 2.207 2.259 . 0 0 "[ . 1 . 2 ]" 1
1205 1 118 LEU HA 1 119 ALA H 2.500 . 3.000 2.226 2.204 2.255 . 0 0 "[ . 1 . 2 ]" 1
1206 1 119 ALA HA 1 120 GLY H 3.500 . 4.000 3.528 3.504 3.548 . 0 0 "[ . 1 . 2 ]" 1
1207 1 120 GLY QA 1 121 SER H 2.500 . 3.500 2.165 2.156 2.187 . 0 0 "[ . 1 . 2 ]" 1
1208 1 121 SER HA 1 122 PHE H 2.500 . 3.000 2.257 2.227 2.292 . 0 0 "[ . 1 . 2 ]" 1
1209 1 122 PHE HA 1 123 GLU H 3.500 . 4.000 2.196 2.184 2.232 . 0 0 "[ . 1 . 2 ]" 1
1210 1 123 GLU HA 1 124 GLY H 2.500 . 3.000 2.312 2.241 2.427 . 0 0 "[ . 1 . 2 ]" 1
1211 1 124 GLY QA 1 125 ASP H 2.500 . 3.500 2.163 2.151 2.193 . 0 0 "[ . 1 . 2 ]" 1
1212 1 125 ASP HA 1 126 THR H 3.500 . 4.000 3.515 3.202 3.579 . 0 0 "[ . 1 . 2 ]" 1
1213 1 126 THR HA 1 127 LYS H 2.500 . 3.000 2.236 2.186 2.303 . 0 0 "[ . 1 . 2 ]" 1
1214 1 127 LYS HA 1 128 MET H 2.500 . 3.000 2.521 2.399 2.608 . 0 0 "[ . 1 . 2 ]" 1
1215 1 128 MET HA 1 129 ILE H 2.500 . 3.000 2.301 2.260 2.333 . 0 0 "[ . 1 . 2 ]" 1
1216 1 130 PRO HA 1 131 LEU H 2.500 . 3.000 2.261 2.219 2.307 . 0 0 "[ . 1 . 2 ]" 1
1217 1 131 LEU HA 1 132 ASN H 2.500 . 3.000 2.273 2.212 2.366 . 0 0 "[ . 1 . 2 ]" 1
1218 1 132 ASN HA 1 133 TRP H 2.500 . 3.000 2.339 2.317 2.373 . 0 0 "[ . 1 . 2 ]" 1
1219 1 133 TRP HA 1 134 ASP H 4.500 . 5.000 3.429 3.373 3.456 . 0 0 "[ . 1 . 2 ]" 1
1220 1 135 ASP HA 1 136 PHE H 3.500 . 4.000 3.040 2.890 3.529 . 0 0 "[ . 1 . 2 ]" 1
1221 1 136 PHE HA 1 137 THR H 2.500 . 3.000 2.542 2.434 2.608 . 0 0 "[ . 1 . 2 ]" 1
1222 1 137 THR HA 1 138 LYS H 2.500 . 3.000 2.225 2.186 2.285 . 0 0 "[ . 1 . 2 ]" 1
1223 1 138 LYS HA 1 139 VAL H 2.500 . 3.000 2.271 2.185 2.374 . 0 0 "[ . 1 . 2 ]" 1
1224 1 139 VAL HA 1 140 SER H 3.500 . 4.000 3.529 3.516 3.547 . 0 0 "[ . 1 . 2 ]" 1
1225 1 140 SER HA 1 141 SER H 2.500 . 3.000 2.435 2.264 2.634 . 0 0 "[ . 1 . 2 ]" 1
1226 1 141 SER HA 1 142 ARG H 2.500 . 3.000 2.213 2.185 2.387 . 0 0 "[ . 1 . 2 ]" 1
1227 1 142 ARG HA 1 143 THR H 2.500 . 3.000 2.216 2.189 2.254 . 0 0 "[ . 1 . 2 ]" 1
1228 1 143 THR HA 1 144 VAL H 2.500 . 3.000 2.281 2.241 2.331 . 0 0 "[ . 1 . 2 ]" 1
1229 1 144 VAL HA 1 145 GLU H 2.500 . 3.000 2.208 2.189 2.294 . 0 0 "[ . 1 . 2 ]" 1
1230 1 145 GLU HA 1 146 ASP H 2.500 . 3.000 2.188 2.184 2.208 . 0 0 "[ . 1 . 2 ]" 1
1231 1 146 ASP HA 1 147 THR H 2.500 . 3.000 2.759 2.677 2.790 . 0 0 "[ . 1 . 2 ]" 1
1232 1 147 THR HA 1 148 ASN H 3.500 . 4.000 3.556 3.533 3.566 . 0 0 "[ . 1 . 2 ]" 1
1233 1 149 PRO HA 1 150 ALA H 3.500 . 4.000 3.554 3.476 3.582 . 0 0 "[ . 1 . 2 ]" 1
1234 1 150 ALA HA 1 151 LEU H 3.500 . 4.000 3.505 3.472 3.543 . 0 0 "[ . 1 . 2 ]" 1
1235 1 152 THR HA 1 153 HIS H 2.500 . 3.000 2.259 2.216 2.382 . 0 0 "[ . 1 . 2 ]" 1
1236 1 153 HIS HA 1 154 THR H 2.500 . 3.000 2.471 2.412 2.546 . 0 0 "[ . 1 . 2 ]" 1
1237 1 154 THR HA 1 155 TYR H 2.500 . 3.000 2.218 2.195 2.247 . 0 0 "[ . 1 . 2 ]" 1
1238 1 155 TYR HA 1 156 GLU H 2.500 . 3.000 2.269 2.235 2.295 . 0 0 "[ . 1 . 2 ]" 1
1239 1 156 GLU HA 1 157 VAL H 2.500 . 3.000 2.230 2.192 2.288 . 0 0 "[ . 1 . 2 ]" 1
1240 1 157 VAL HA 1 158 TRP H 2.500 . 3.000 2.216 2.189 2.253 . 0 0 "[ . 1 . 2 ]" 1
1241 1 158 TRP HA 1 159 GLN H 2.500 . 3.000 2.450 2.371 2.493 . 0 0 "[ . 1 . 2 ]" 1
1242 1 159 GLN HA 1 160 LYS H 2.500 . 3.000 2.252 2.221 2.284 . 0 0 "[ . 1 . 2 ]" 1
1243 1 160 LYS HA 1 161 LYS H 2.500 . 3.000 2.207 2.187 2.265 . 0 0 "[ . 1 . 2 ]" 1
1244 1 1 THR HB 1 2 ALA H 4.500 . 4.500 3.670 3.311 4.115 . 0 0 "[ . 1 . 2 ]" 1
1245 1 2 ALA MB 1 3 PHE H 4.500 . 5.500 3.313 3.035 3.570 . 0 0 "[ . 1 . 2 ]" 1
1246 1 3 PHE HB3 1 4 LEU H 3.500 . 4.500 2.954 2.550 3.478 . 0 0 "[ . 1 . 2 ]" 1
1247 1 3 PHE HB2 1 4 LEU H 4.500 . 5.500 4.138 3.872 4.424 . 0 0 "[ . 1 . 2 ]" 1
1248 1 5 TRP QB 1 6 ALA H 4.200 . 5.200 2.912 2.762 3.212 . 0 0 "[ . 1 . 2 ]" 1
1249 1 6 ALA MB 1 7 GLN H 4.500 . 5.500 3.376 3.304 3.442 . 0 0 "[ . 1 . 2 ]" 1
1250 1 7 GLN HB3 1 8 ASP H 4.500 . 4.500 3.932 3.822 4.004 . 0 0 "[ . 1 . 2 ]" 1
1251 1 7 GLN HB2 1 8 ASP H 3.500 . 3.500 2.763 2.558 2.902 . 0 0 "[ . 1 . 2 ]" 1
1252 1 8 ASP HB3 1 9 ARG H 4.500 . 4.500 3.673 3.655 3.704 . 0 0 "[ . 1 . 2 ]" 1
1253 1 8 ASP HB2 1 9 ARG H 3.500 . 3.500 2.333 2.303 2.382 . 0 0 "[ . 1 . 2 ]" 1
1254 1 9 ARG HB3 1 10 ASP H 3.500 . 4.500 4.221 4.152 4.259 . 0 0 "[ . 1 . 2 ]" 1
1255 1 10 ASP HB3 1 11 GLY H 5.500 . 5.500 4.296 4.153 4.376 . 0 0 "[ . 1 . 2 ]" 1
1256 1 10 ASP HB2 1 11 GLY H 4.500 . 4.500 3.850 3.545 3.908 . 0 0 "[ . 1 . 2 ]" 1
1257 1 12 LEU QB 1 13 ILE H 4.500 . 5.500 3.138 3.017 3.447 . 0 0 "[ . 1 . 2 ]" 1
1258 1 15 LYS HB3 1 16 ASP H 4.500 . 4.500 4.184 3.844 4.270 . 0 0 "[ . 1 . 2 ]" 1
1259 1 15 LYS HB2 1 16 ASP H 4.500 . 4.500 4.423 4.117 4.501 0.001 11 0 "[ . 1 . 2 ]" 1
1260 1 16 ASP HB3 1 17 GLY H 5.500 . 5.500 4.309 4.103 4.452 . 0 0 "[ . 1 . 2 ]" 1
1261 1 16 ASP HB2 1 17 GLY H 5.500 . 5.500 4.190 3.848 4.258 . 0 0 "[ . 1 . 2 ]" 1
1262 1 20 PRO QB 1 21 TRP H 5.500 . 5.500 3.206 3.111 3.285 . 0 0 "[ . 1 . 2 ]" 1
1263 1 21 TRP HB3 1 22 HIS H 4.500 . 4.500 3.679 3.494 3.881 . 0 0 "[ . 1 . 2 ]" 1
1264 1 21 TRP HB2 1 22 HIS H 3.500 . 3.500 2.289 1.948 2.661 . 0 0 "[ . 1 . 2 ]" 1
1265 1 22 HIS QB 1 23 LEU H 5.500 . 5.500 3.987 3.931 4.029 . 0 0 "[ . 1 . 2 ]" 1
1266 1 24 PRO QB 1 25 ASP H 4.500 . 5.500 2.789 2.740 2.823 . 0 0 "[ . 1 . 2 ]" 1
1267 1 25 ASP QB 1 26 ASP H 5.500 . 5.500 2.454 2.272 2.606 . 0 0 "[ . 1 . 2 ]" 1
1268 1 26 ASP HB3 1 27 LEU H 3.500 . 3.500 2.722 2.575 2.877 . 0 0 "[ . 1 . 2 ]" 1
1269 1 26 ASP HB2 1 27 LEU H 4.500 . 4.500 3.918 3.844 3.998 . 0 0 "[ . 1 . 2 ]" 1
1270 1 27 LEU HB3 1 28 HIS H 4.500 . 4.500 3.947 3.806 4.007 . 0 0 "[ . 1 . 2 ]" 1
1271 1 27 LEU HB2 1 28 HIS H 3.500 . 3.500 2.994 2.955 3.051 . 0 0 "[ . 1 . 2 ]" 1
1272 1 28 HIS QB 1 29 TYR H 3.500 . 4.500 2.834 2.793 2.935 . 0 0 "[ . 1 . 2 ]" 1
1273 1 29 TYR HB3 1 30 PHE H 3.500 . 3.500 2.942 2.881 2.986 . 0 0 "[ . 1 . 2 ]" 1
1274 1 29 TYR HB2 1 30 PHE H 4.500 . 4.500 3.945 3.902 4.011 . 0 0 "[ . 1 . 2 ]" 1
1275 1 30 PHE HB3 1 31 ARG H 2.500 . 2.500 2.443 2.296 2.478 . 0 0 "[ . 1 . 2 ]" 1
1276 1 30 PHE HB2 1 31 ARG H 4.500 . 4.500 3.727 3.644 3.751 . 0 0 "[ . 1 . 2 ]" 1
1277 1 31 ARG QB 1 32 ALA H 3.500 . 4.500 2.883 2.739 3.424 . 0 0 "[ . 1 . 2 ]" 1
1278 1 32 ALA MB 1 33 GLN H 4.500 . 5.500 2.744 2.636 2.825 . 0 0 "[ . 1 . 2 ]" 1
1279 1 33 GLN HB3 1 34 THR H 5.500 . 5.500 4.405 4.348 4.458 . 0 0 "[ . 1 . 2 ]" 1
1280 1 33 GLN HB2 1 34 THR H 4.500 . 4.500 4.161 4.127 4.224 . 0 0 "[ . 1 . 2 ]" 1
1281 1 34 THR HB 1 35 VAL H 5.500 . 5.500 3.683 3.604 3.817 . 0 0 "[ . 1 . 2 ]" 1
1282 1 35 VAL HB 1 36 GLY H 3.500 . 3.500 3.349 3.200 3.433 . 0 0 "[ . 1 . 2 ]" 1
1283 1 37 LYS HB3 1 38 ILE H 2.500 . 2.500 2.381 1.909 2.496 . 0 0 "[ . 1 . 2 ]" 1
1284 1 37 LYS HB2 1 38 ILE H 4.500 . 4.500 3.694 3.274 3.853 . 0 0 "[ . 1 . 2 ]" 1
1285 1 38 ILE HB 1 39 MET H 5.500 . 5.500 4.343 4.184 4.416 . 0 0 "[ . 1 . 2 ]" 1
1286 1 39 MET QB 1 40 VAL H 5.500 . 5.500 3.864 3.677 3.981 . 0 0 "[ . 1 . 2 ]" 1
1287 1 40 VAL HB 1 41 VAL H 4.500 . 4.500 4.240 4.122 4.296 . 0 0 "[ . 1 . 2 ]" 1
1288 1 41 VAL HB 1 42 GLY H 3.500 . 3.500 2.303 1.995 2.583 . 0 0 "[ . 1 . 2 ]" 1
1289 1 43 ARG HB3 1 44 ARG H 4.500 . 4.500 3.362 2.508 4.054 . 0 0 "[ . 1 . 2 ]" 1
1290 1 43 ARG HB2 1 44 ARG H 5.500 . 5.500 3.556 2.643 3.808 . 0 0 "[ . 1 . 2 ]" 1
1291 1 44 ARG QB 1 45 THR H 4.500 . 5.500 2.684 2.375 3.491 . 0 0 "[ . 1 . 2 ]" 1
1292 1 45 THR HB 1 46 TYR H 3.500 . 3.500 2.895 2.820 2.974 . 0 0 "[ . 1 . 2 ]" 1
1293 1 46 TYR QB 1 47 GLU H 4.500 . 5.500 2.532 2.132 2.796 . 0 0 "[ . 1 . 2 ]" 1
1294 1 47 GLU HB3 1 48 SER H 4.500 . 4.500 3.880 3.700 4.057 . 0 0 "[ . 1 . 2 ]" 1
1295 1 47 GLU HB2 1 48 SER H 3.500 . 3.500 3.042 2.942 3.201 . 0 0 "[ . 1 . 2 ]" 1
1296 1 48 SER QB 1 49 PHE H 5.500 . 5.500 3.173 2.805 3.662 . 0 0 "[ . 1 . 2 ]" 1
1297 1 49 PHE HA 1 50 PRO HD3 3.500 . 3.500 2.005 1.989 2.055 . 0 0 "[ . 1 . 2 ]" 1
1298 1 49 PHE HA 1 50 PRO HD2 3.500 . 3.500 3.016 2.982 3.080 . 0 0 "[ . 1 . 2 ]" 1
1299 1 49 PHE QB 1 50 PRO QD 3.500 . 5.500 2.061 1.993 2.111 . 0 0 "[ . 1 . 2 ]" 1
1300 1 50 PRO HB2 1 51 LYS H 2.500 . 2.500 2.276 2.188 2.502 0.002 13 0 "[ . 1 . 2 ]" 1
1301 1 50 PRO HB3 1 51 LYS H 4.500 . 4.500 3.648 3.592 3.785 . 0 0 "[ . 1 . 2 ]" 1
1302 1 51 LYS QB 1 52 ARG H 3.500 . 4.500 3.773 2.920 4.015 . 0 0 "[ . 1 . 2 ]" 1
1303 1 53 PRO QB 1 54 LEU H 4.500 . 5.500 2.644 1.972 3.086 . 0 0 "[ . 1 . 2 ]" 1
1304 1 55 PRO HB3 1 56 GLU H 5.500 . 5.500 3.160 3.036 3.427 . 0 0 "[ . 1 . 2 ]" 1
1305 1 55 PRO HB2 1 56 GLU H 3.500 . 3.500 2.433 2.293 2.781 . 0 0 "[ . 1 . 2 ]" 1
1306 1 56 GLU QB 1 57 ARG H 5.500 . 5.500 3.768 3.714 3.809 . 0 0 "[ . 1 . 2 ]" 1
1307 1 57 ARG HB2 1 58 THR H 5.500 . 5.500 2.301 1.935 2.916 . 0 0 "[ . 1 . 2 ]" 1
1308 1 57 ARG HB3 1 58 THR H 4.500 . 4.500 3.700 3.494 4.024 . 0 0 "[ . 1 . 2 ]" 1
1309 1 58 THR HB 1 59 ASN H 4.500 . 4.500 4.047 3.617 4.265 . 0 0 "[ . 1 . 2 ]" 1
1310 1 59 ASN QB 1 60 VAL H 5.500 . 5.500 3.604 3.420 3.724 . 0 0 "[ . 1 . 2 ]" 1
1311 1 62 LEU HB3 1 63 THR H 5.500 . 5.500 4.261 4.143 4.344 . 0 0 "[ . 1 . 2 ]" 1
1312 1 62 LEU HB2 1 63 THR H 5.500 . 5.500 4.476 4.378 4.543 . 0 0 "[ . 1 . 2 ]" 1
1313 1 66 GLU QB 1 67 ASP H 4.500 . 5.500 3.791 3.509 4.038 . 0 0 "[ . 1 . 2 ]" 1
1314 1 67 ASP QB 1 68 TYR H 4.500 . 5.500 2.743 2.592 3.526 . 0 0 "[ . 1 . 2 ]" 1
1315 1 68 TYR HB3 1 69 GLN H 4.500 . 4.500 3.806 3.540 4.101 . 0 0 "[ . 1 . 2 ]" 1
1316 1 68 TYR HB2 1 69 GLN H 4.500 . 4.500 4.223 4.032 4.428 . 0 0 "[ . 1 . 2 ]" 1
1317 1 69 GLN HB3 1 70 ALA H 4.500 . 4.500 3.469 2.633 3.904 . 0 0 "[ . 1 . 2 ]" 1
1318 1 69 GLN HB2 1 70 ALA H 4.500 . 5.500 4.308 3.769 4.555 . 0 0 "[ . 1 . 2 ]" 1
1319 1 70 ALA MB 1 71 GLN H 4.500 . 5.500 3.241 2.955 3.380 . 0 0 "[ . 1 . 2 ]" 1
1320 1 73 ALA MB 1 74 VAL H 3.500 . 4.500 2.825 2.520 3.055 . 0 0 "[ . 1 . 2 ]" 1
1321 1 74 VAL HB 1 75 VAL H 5.500 . 5.500 4.420 4.383 4.439 . 0 0 "[ . 1 . 2 ]" 1
1322 1 75 VAL HB 1 76 VAL H 5.500 . 5.500 4.397 4.204 4.432 . 0 0 "[ . 1 . 2 ]" 1
1323 1 76 VAL HB 1 77 HIS H 3.500 . 3.500 2.561 2.062 2.816 . 0 0 "[ . 1 . 2 ]" 1
1324 1 77 HIS HB3 1 78 ASP H 5.500 . 5.500 4.467 4.436 4.490 . 0 0 "[ . 1 . 2 ]" 1
1325 1 77 HIS HB2 1 78 ASP H 5.500 . 5.500 4.070 4.039 4.092 . 0 0 "[ . 1 . 2 ]" 1
1326 1 78 ASP QB 1 79 VAL H 3.500 . 4.500 3.385 2.702 3.567 . 0 0 "[ . 1 . 2 ]" 1
1327 1 79 VAL HB 1 80 ALA H 4.500 . 4.500 2.756 2.709 2.817 . 0 0 "[ . 1 . 2 ]" 1
1328 1 80 ALA MB 1 81 ALA H 3.500 . 4.500 2.686 2.633 2.752 . 0 0 "[ . 1 . 2 ]" 1
1329 1 81 ALA MB 1 82 VAL H 3.500 . 4.500 2.611 2.538 2.703 . 0 0 "[ . 1 . 2 ]" 1
1330 1 82 VAL HB 1 83 PHE H 3.500 . 3.500 2.580 2.438 2.755 . 0 0 "[ . 1 . 2 ]" 1
1331 1 83 PHE HB3 1 84 ALA H 5.500 . 5.500 3.672 3.588 3.796 . 0 0 "[ . 1 . 2 ]" 1
1332 1 83 PHE HB2 1 84 ALA H 3.500 . 3.500 2.920 2.871 3.012 . 0 0 "[ . 1 . 2 ]" 1
1333 1 84 ALA MB 1 85 TYR H 3.500 . 4.500 2.612 2.512 2.781 . 0 0 "[ . 1 . 2 ]" 1
1334 1 85 TYR HB3 1 86 ALA H 3.500 . 3.500 2.715 2.525 2.956 . 0 0 "[ . 1 . 2 ]" 1
1335 1 85 TYR HB2 1 86 ALA H 4.500 . 4.500 3.833 3.727 3.961 . 0 0 "[ . 1 . 2 ]" 1
1336 1 86 ALA MB 1 87 LYS H 3.500 . 4.500 2.753 2.658 2.843 . 0 0 "[ . 1 . 2 ]" 1
1337 1 88 GLN QB 1 89 HIS H 4.500 . 5.500 2.870 2.691 3.549 . 0 0 "[ . 1 . 2 ]" 1
1338 1 91 ASP QB 1 92 GLN H 4.500 . 5.500 3.075 2.767 3.574 . 0 0 "[ . 1 . 2 ]" 1
1339 1 93 GLU QB 1 94 LEU H 4.500 . 5.500 2.667 2.259 2.936 . 0 0 "[ . 1 . 2 ]" 1
1340 1 95 VAL HB 1 96 ILE H 5.500 . 5.500 4.173 4.000 4.320 . 0 0 "[ . 1 . 2 ]" 1
1341 1 97 ALA MB 1 98 GLY H 5.500 . 5.500 2.845 2.685 2.940 . 0 0 "[ . 1 . 2 ]" 1
1342 1 100 ALA MB 1 101 GLN H 3.500 . 4.500 2.709 2.498 2.905 . 0 0 "[ . 1 . 2 ]" 1
1343 1 102 ILE HB 1 103 PHE H 3.500 . 3.500 2.686 2.594 2.822 . 0 0 "[ . 1 . 2 ]" 1
1344 1 103 PHE HB3 1 104 THR H 4.500 . 4.500 3.275 3.048 3.529 . 0 0 "[ . 1 . 2 ]" 1
1345 1 103 PHE HB2 1 104 THR H 3.500 . 3.500 2.465 2.351 2.649 . 0 0 "[ . 1 . 2 ]" 1
1346 1 104 THR HB 1 105 ALA H 3.500 . 4.000 3.331 2.944 4.023 0.023 7 0 "[ . 1 . 2 ]" 1
1347 1 105 ALA MB 1 106 PHE H 3.500 . 4.500 2.645 2.295 2.893 . 0 0 "[ . 1 . 2 ]" 1
1348 1 106 PHE HB3 1 107 LYS H 5.500 . 5.500 4.315 4.164 4.375 . 0 0 "[ . 1 . 2 ]" 1
1349 1 106 PHE HB2 1 107 LYS H 5.500 . 5.500 3.858 3.668 3.972 . 0 0 "[ . 1 . 2 ]" 1
1350 1 107 LYS QB 1 108 ASP H 4.500 . 5.500 3.179 2.740 3.612 . 0 0 "[ . 1 . 2 ]" 1
1351 1 108 ASP HB3 1 109 ASP H 5.500 . 5.500 3.308 2.469 4.084 . 0 0 "[ . 1 . 2 ]" 1
1352 1 108 ASP HB2 1 109 ASP H 4.500 . 4.500 4.081 3.598 4.485 . 0 0 "[ . 1 . 2 ]" 1
1353 1 109 ASP QB 1 110 VAL H 5.500 . 6.500 3.842 3.793 3.924 . 0 0 "[ . 1 . 2 ]" 1
1354 1 110 VAL HB 1 111 ASP H 4.500 . 4.500 4.026 3.920 4.139 . 0 0 "[ . 1 . 2 ]" 1
1355 1 111 ASP HB3 1 112 THR H 4.500 . 4.500 3.148 1.917 3.882 . 0 0 "[ . 1 . 2 ]" 1
1356 1 111 ASP HB2 1 112 THR H 4.500 . 4.500 2.502 1.992 3.523 . 0 0 "[ . 1 . 2 ]" 1
1357 1 112 THR HB 1 113 LEU H 4.500 . 4.500 3.793 3.400 4.302 . 0 0 "[ . 1 . 2 ]" 1
1358 1 113 LEU HB3 1 114 LEU H 5.500 . 5.500 3.958 3.722 4.102 . 0 0 "[ . 1 . 2 ]" 1
1359 1 113 LEU HB2 1 114 LEU H 5.500 . 5.500 4.542 4.451 4.593 . 0 0 "[ . 1 . 2 ]" 1
1360 1 114 LEU HB3 1 115 VAL H 5.500 . 5.500 3.725 3.443 3.875 . 0 0 "[ . 1 . 2 ]" 1
1361 1 114 LEU HB2 1 115 VAL H 5.500 . 5.500 4.426 4.306 4.484 . 0 0 "[ . 1 . 2 ]" 1
1362 1 115 VAL HB 1 116 THR H 4.500 . 4.500 4.164 4.071 4.242 . 0 0 "[ . 1 . 2 ]" 1
1363 1 116 THR HB 1 117 ARG H 4.500 . 4.500 4.389 4.329 4.422 . 0 0 "[ . 1 . 2 ]" 1
1364 1 118 LEU HB3 1 119 ALA H 3.500 . 3.500 3.301 3.132 3.455 . 0 0 "[ . 1 . 2 ]" 1
1365 1 118 LEU HB2 1 119 ALA H 4.500 . 4.500 4.376 4.286 4.453 . 0 0 "[ . 1 . 2 ]" 1
1366 1 119 ALA MB 1 120 GLY H 3.500 . 4.500 2.659 2.546 2.756 . 0 0 "[ . 1 . 2 ]" 1
1367 1 121 SER QB 1 122 PHE H 5.500 . 5.500 3.028 2.818 3.684 . 0 0 "[ . 1 . 2 ]" 1
1368 1 123 GLU QB 1 124 GLY H 4.500 . 5.500 3.043 2.474 3.591 . 0 0 "[ . 1 . 2 ]" 1
1369 1 125 ASP HB3 1 126 THR H 5.500 . 5.500 3.555 2.679 4.311 . 0 0 "[ . 1 . 2 ]" 1
1370 1 125 ASP HB2 1 126 THR H 4.500 . 4.500 3.244 2.490 3.868 . 0 0 "[ . 1 . 2 ]" 1
1371 1 126 THR HB 1 127 LYS H 5.500 . 5.500 3.898 3.655 4.248 . 0 0 "[ . 1 . 2 ]" 1
1372 1 127 LYS HB3 1 128 MET H 3.500 . 3.500 2.309 2.148 2.580 . 0 0 "[ . 1 . 2 ]" 1
1373 1 127 LYS HB2 1 128 MET H 4.500 . 4.500 3.528 3.322 3.846 . 0 0 "[ . 1 . 2 ]" 1
1374 1 128 MET HB3 1 129 ILE H 5.500 . 5.500 3.659 3.539 3.785 . 0 0 "[ . 1 . 2 ]" 1
1375 1 128 MET HB2 1 129 ILE H 5.500 . 5.500 4.174 4.072 4.308 . 0 0 "[ . 1 . 2 ]" 1
1376 1 130 PRO QB 1 131 LEU H 4.500 . 5.500 3.702 3.598 3.784 . 0 0 "[ . 1 . 2 ]" 1
1377 1 131 LEU HB3 1 132 ASN H 3.500 . 3.500 2.969 2.667 3.229 . 0 0 "[ . 1 . 2 ]" 1
1378 1 131 LEU HB2 1 132 ASN H 5.500 . 5.500 4.024 3.777 4.175 . 0 0 "[ . 1 . 2 ]" 1
1379 1 132 ASN QB 1 133 TRP H 5.500 . 5.500 4.020 4.005 4.036 . 0 0 "[ . 1 . 2 ]" 1
1380 1 133 TRP HB3 1 134 ASP H 5.500 . 5.500 4.093 4.000 4.229 . 0 0 "[ . 1 . 2 ]" 1
1381 1 133 TRP HB2 1 134 ASP H 3.500 . 3.500 3.192 3.096 3.369 . 0 0 "[ . 1 . 2 ]" 1
1382 1 134 ASP QB 1 135 ASP H 3.500 . 4.500 3.143 2.754 3.544 . 0 0 "[ . 1 . 2 ]" 1
1383 1 135 ASP QB 1 136 PHE H 5.500 . 5.500 3.662 2.689 4.049 . 0 0 "[ . 1 . 2 ]" 1
1384 1 136 PHE HB3 1 137 THR H 3.500 . 3.500 2.253 2.112 2.494 . 0 0 "[ . 1 . 2 ]" 1
1385 1 136 PHE HB2 1 137 THR H 4.500 . 4.500 3.574 3.434 3.762 . 0 0 "[ . 1 . 2 ]" 1
1386 1 137 THR HB 1 138 LYS H 4.500 . 4.500 3.949 3.725 4.142 . 0 0 "[ . 1 . 2 ]" 1
1387 1 139 VAL HB 1 140 SER H 4.500 . 4.500 3.747 3.662 3.803 . 0 0 "[ . 1 . 2 ]" 1
1388 1 140 SER QB 1 141 SER H 4.500 . 5.500 2.817 2.138 3.572 . 0 0 "[ . 1 . 2 ]" 1
1389 1 143 THR HB 1 144 VAL H 4.500 . 4.500 3.769 3.621 3.907 . 0 0 "[ . 1 . 2 ]" 1
1390 1 144 VAL HB 1 145 GLU H 4.500 . 4.500 4.253 4.067 4.322 . 0 0 "[ . 1 . 2 ]" 1
1391 1 145 GLU QB 1 146 ASP H 3.500 . 4.500 3.489 3.139 3.820 . 0 0 "[ . 1 . 2 ]" 1
1392 1 147 THR HB 1 148 ASN H 4.500 . 4.500 3.505 3.370 3.730 . 0 0 "[ . 1 . 2 ]" 1
1393 1 149 PRO QB 1 150 ALA H 3.500 . 4.500 2.796 2.559 3.319 . 0 0 "[ . 1 . 2 ]" 1
1394 1 150 ALA MB 1 151 LEU H 3.500 . 4.500 2.769 2.589 2.914 . 0 0 "[ . 1 . 2 ]" 1
1395 1 151 LEU QB 1 152 THR H 3.500 . 4.500 3.626 3.358 3.680 . 0 0 "[ . 1 . 2 ]" 1
1396 1 152 THR HB 1 153 HIS H 5.500 . 5.500 3.844 2.620 4.080 . 0 0 "[ . 1 . 2 ]" 1
1397 1 153 HIS HB3 1 154 THR H 5.500 . 5.500 3.734 3.645 3.803 . 0 0 "[ . 1 . 2 ]" 1
1398 1 153 HIS HB2 1 154 THR H 3.500 . 3.500 2.399 2.234 2.534 . 0 0 "[ . 1 . 2 ]" 1
1399 1 154 THR HB 1 155 TYR H 5.500 . 5.500 4.022 3.945 4.122 . 0 0 "[ . 1 . 2 ]" 1
1400 1 155 TYR QB 1 156 GLU H 5.500 . 5.500 3.728 3.662 3.772 . 0 0 "[ . 1 . 2 ]" 1
1401 1 157 VAL HB 1 158 TRP H 5.500 . 5.500 4.370 4.296 4.420 . 0 0 "[ . 1 . 2 ]" 1
1402 1 158 TRP HB3 1 159 GLN H 3.500 . 3.500 2.459 2.359 2.657 . 0 0 "[ . 1 . 2 ]" 1
1403 1 158 TRP HB2 1 159 GLN H 5.500 . 5.500 3.636 3.553 3.790 . 0 0 "[ . 1 . 2 ]" 1
1404 1 159 GLN HB3 1 160 LYS H 4.500 . 4.500 3.048 2.935 3.188 . 0 0 "[ . 1 . 2 ]" 1
1405 1 159 GLN HB2 1 160 LYS H 5.500 . 5.500 4.163 4.096 4.256 . 0 0 "[ . 1 . 2 ]" 1
1406 1 161 LYS QB 1 162 ALA H 3.500 . 4.500 3.536 2.143 3.995 . 0 0 "[ . 1 . 2 ]" 1
1407 1 8 ASP H 1 9 ARG HA 5.500 . 6.500 5.469 5.384 5.538 . 0 0 "[ . 1 . 2 ]" 1
1408 1 70 ALA H 1 71 GLN HA 5.500 . 5.500 4.969 4.581 5.251 . 0 0 "[ . 1 . 2 ]" 1
1409 1 77 HIS H 1 78 ASP HA 5.500 . 5.500 4.759 4.694 4.825 . 0 0 "[ . 1 . 2 ]" 1
1410 1 79 VAL H 1 80 ALA MB 5.500 . 5.500 4.288 4.255 4.313 . 0 0 "[ . 1 . 2 ]" 1
1411 1 80 ALA H 1 81 ALA MB 5.500 . 5.500 4.267 4.222 4.315 . 0 0 "[ . 1 . 2 ]" 1
1412 1 86 ALA H 1 87 LYS QB 4.500 . 5.500 4.393 4.241 4.722 . 0 0 "[ . 1 . 2 ]" 1
1413 1 106 PHE H 1 107 LYS QB 5.500 . 6.500 4.109 3.954 4.267 . 0 0 "[ . 1 . 2 ]" 1
1414 1 108 ASP H 1 109 ASP QB 5.500 . 6.500 4.500 4.190 4.884 . 0 0 "[ . 1 . 2 ]" 1
1415 1 111 ASP H 1 112 THR HB 5.500 . 5.500 4.736 4.466 4.869 . 0 0 "[ . 1 . 2 ]" 1
1416 1 1 THR MG 1 2 ALA H 4.500 . 5.500 2.184 1.844 2.811 . 0 0 "[ . 1 . 2 ]" 1
1417 1 4 LEU H 1 5 TRP HE3 3.500 . 3.500 2.579 2.289 2.883 . 0 0 "[ . 1 . 2 ]" 1
1418 1 4 LEU MD1 1 5 TRP H 3.500 . 4.500 3.347 3.141 3.518 . 0 0 "[ . 1 . 2 ]" 1
1419 1 4 LEU HA 1 5 TRP HE3 3.500 . 3.500 2.640 2.567 3.383 . 0 0 "[ . 1 . 2 ]" 1
1420 1 4 LEU HG 1 5 TRP H 4.500 . 4.500 3.120 2.784 3.231 . 0 0 "[ . 1 . 2 ]" 1
1421 1 5 TRP HD1 1 6 ALA H 4.500 . 4.500 4.338 4.143 4.503 0.003 15 0 "[ . 1 . 2 ]" 1
1422 1 7 GLN QE 1 8 ASP H 5.500 . 6.500 4.512 3.650 5.237 . 0 0 "[ . 1 . 2 ]" 1
1423 1 12 LEU MD2 1 13 ILE H 4.500 . 5.500 3.443 3.292 3.714 . 0 0 "[ . 1 . 2 ]" 1
1424 1 12 LEU MD1 1 13 ILE H 4.500 . 5.500 3.199 3.080 3.293 . 0 0 "[ . 1 . 2 ]" 1
1425 1 12 LEU HG 1 13 ILE H 3.500 . 3.500 1.800 1.694 1.986 . 0 0 "[ . 1 . 2 ]" 1
1426 1 12 LEU HG 1 13 ILE HA 5.500 . 5.500 4.375 4.209 4.442 . 0 0 "[ . 1 . 2 ]" 1
1427 1 13 ILE HA 1 14 GLY QA 5.500 . 6.500 4.248 4.239 4.261 . 0 0 "[ . 1 . 2 ]" 1
1428 1 17 GLY QA 1 18 HIS HD2 4.500 . 5.500 4.246 3.965 4.739 . 0 0 "[ . 1 . 2 ]" 1
1429 1 20 PRO QB 1 21 TRP HE3 3.500 . 4.500 3.144 3.089 3.392 . 0 0 "[ . 1 . 2 ]" 1
1430 1 20 PRO QG 1 21 TRP HE3 4.500 . 5.500 2.200 2.151 2.353 . 0 0 "[ . 1 . 2 ]" 1
1431 1 20 PRO QG 1 21 TRP HZ3 3.500 . 4.500 2.389 2.303 2.628 . 0 0 "[ . 1 . 2 ]" 1
1432 1 20 PRO QD 1 21 TRP H 3.500 . 4.500 2.047 1.970 2.104 . 0 0 "[ . 1 . 2 ]" 1
1433 1 21 TRP HD1 1 22 HIS HA 4.500 . 4.500 3.488 3.167 3.715 . 0 0 "[ . 1 . 2 ]" 1
1434 1 23 LEU HA 1 24 PRO HD3 2.500 . 3.000 2.908 2.868 2.930 . 0 0 "[ . 1 . 2 ]" 1
1435 1 23 LEU HA 1 24 PRO HD2 2.500 . 3.000 2.005 1.993 2.020 . 0 0 "[ . 1 . 2 ]" 1
1436 1 34 THR MG 1 35 VAL H 4.500 . 5.500 4.039 3.998 4.093 . 0 0 "[ . 1 . 2 ]" 1
1437 1 38 ILE MG 1 39 MET H 3.500 . 4.500 3.121 2.678 3.336 . 0 0 "[ . 1 . 2 ]" 1
1438 1 40 VAL MG1 1 41 VAL HA 4.500 . 5.500 3.682 3.547 3.759 . 0 0 "[ . 1 . 2 ]" 1
1439 1 40 VAL MG1 1 41 VAL H 3.500 . 4.500 2.866 2.622 3.004 . 0 0 "[ . 1 . 2 ]" 1
1440 1 41 VAL MG1 1 42 GLY H 4.500 . 5.500 3.639 3.547 3.720 . 0 0 "[ . 1 . 2 ]" 1
1441 1 41 VAL MG2 1 42 GLY H 4.500 . 5.500 3.370 3.076 3.594 . 0 0 "[ . 1 . 2 ]" 1
1442 1 44 ARG QG 1 45 THR H 5.500 . 5.500 3.867 2.064 4.208 . 0 0 "[ . 1 . 2 ]" 1
1443 1 45 THR MG 1 46 TYR H 4.500 . 5.500 3.884 3.831 4.063 . 0 0 "[ . 1 . 2 ]" 1
1444 1 47 GLU QG 1 48 SER H 5.500 . 5.500 4.256 4.124 4.381 . 0 0 "[ . 1 . 2 ]" 1
1445 1 50 PRO QG 1 51 LYS H 4.500 . 5.500 2.434 2.363 2.547 . 0 0 "[ . 1 . 2 ]" 1
1446 1 50 PRO QD 1 51 LYS H 3.500 . 4.500 2.393 2.212 2.462 . 0 0 "[ . 1 . 2 ]" 1
1447 1 52 ARG HA 1 53 PRO HA 3.500 . 3.500 2.331 2.252 2.407 . 0 0 "[ . 1 . 2 ]" 1
1448 1 54 LEU HA 1 55 PRO HD3 2.500 . 3.000 2.051 1.950 2.281 . 0 0 "[ . 1 . 2 ]" 1
1449 1 54 LEU HA 1 55 PRO HD2 2.500 . 3.000 2.505 2.331 2.729 . 0 0 "[ . 1 . 2 ]" 1
1450 1 54 LEU MD2 1 55 PRO HD3 4.500 . 5.000 3.432 3.160 3.731 . 0 0 "[ . 1 . 2 ]" 1
1451 1 54 LEU MD2 1 55 PRO HD2 4.500 . 5.000 3.433 3.000 3.690 . 0 0 "[ . 1 . 2 ]" 1
1452 1 56 GLU QG 1 57 ARG H 4.500 . 5.500 4.425 4.336 4.737 . 0 0 "[ . 1 . 2 ]" 1
1453 1 58 THR MG 1 59 ASN H 3.500 . 4.500 2.723 2.146 3.133 . 0 0 "[ . 1 . 2 ]" 1
1454 1 59 ASN HA 1 60 VAL MG2 4.500 . 5.500 3.740 3.595 3.884 . 0 0 "[ . 1 . 2 ]" 1
1455 1 60 VAL MG1 1 61 VAL H 3.500 . 4.500 2.778 2.151 3.453 . 0 0 "[ . 1 . 2 ]" 1
1456 1 61 VAL MG1 1 62 LEU H 3.500 . 4.500 2.753 2.436 2.971 . 0 0 "[ . 1 . 2 ]" 1
1457 1 62 LEU MD2 1 63 THR H 5.500 . 6.500 4.609 4.383 4.791 . 0 0 "[ . 1 . 2 ]" 1
1458 1 62 LEU MD1 1 63 THR H 3.500 . 4.500 3.186 2.949 3.442 . 0 0 "[ . 1 . 2 ]" 1
1459 1 62 LEU HG 1 63 THR H 3.500 . 3.500 3.063 2.763 3.305 . 0 0 "[ . 1 . 2 ]" 1
1460 1 74 VAL MG1 1 75 VAL H 4.500 . 5.500 3.372 3.231 3.460 . 0 0 "[ . 1 . 2 ]" 1
1461 1 75 VAL MG1 1 76 VAL H 3.500 . 4.500 3.249 2.777 3.414 . 0 0 "[ . 1 . 2 ]" 1
1462 1 76 VAL HA 1 77 HIS HD2 4.500 . 4.500 2.939 2.667 3.338 . 0 0 "[ . 1 . 2 ]" 1
1463 1 76 VAL MG1 1 77 HIS H 4.500 . 5.500 3.714 3.583 3.789 . 0 0 "[ . 1 . 2 ]" 1
1464 1 76 VAL MG2 1 77 HIS H 4.500 . 5.500 3.576 3.155 3.753 . 0 0 "[ . 1 . 2 ]" 1
1465 1 81 ALA H 1 82 VAL MG2 4.500 . 5.500 3.873 3.762 3.945 . 0 0 "[ . 1 . 2 ]" 1
1466 1 82 VAL MG1 1 83 PHE H 4.500 . 5.500 3.588 3.479 3.710 . 0 0 "[ . 1 . 2 ]" 1
1467 1 82 VAL MG2 1 83 PHE H 4.500 . 5.500 3.728 3.683 3.789 . 0 0 "[ . 1 . 2 ]" 1
1468 1 88 GLN H 1 89 HIS HD2 5.500 . 5.500 4.456 4.137 5.438 . 0 0 "[ . 1 . 2 ]" 1
1469 1 88 GLN HA 1 89 HIS HD2 5.500 . 5.500 4.156 3.919 4.441 . 0 0 "[ . 1 . 2 ]" 1
1470 1 88 GLN QB 1 89 HIS HD2 2.500 . 3.500 2.212 1.989 3.159 . 0 0 "[ . 1 . 2 ]" 1
1471 1 88 GLN QG 1 89 HIS HD2 5.500 . 6.500 3.665 2.070 5.223 . 0 0 "[ . 1 . 2 ]" 1
1472 1 90 PRO QD 1 91 ASP H 2.500 . 3.500 2.234 2.089 3.024 . 0 0 "[ . 1 . 2 ]" 1
1473 1 92 GLN QG 1 93 GLU H 4.500 . 5.500 3.665 1.701 4.149 . 0 0 "[ . 1 . 2 ]" 1
1474 1 96 ILE MG 1 97 ALA H 3.500 . 4.500 2.734 2.326 2.940 . 0 0 "[ . 1 . 2 ]" 1
1475 1 96 ILE MD 1 97 ALA H 4.500 . 5.500 3.772 3.694 3.811 . 0 0 "[ . 1 . 2 ]" 1
1476 1 102 ILE MG 1 103 PHE H 4.500 . 5.000 3.667 3.595 3.757 . 0 0 "[ . 1 . 2 ]" 1
1477 1 107 LYS QG 1 108 ASP H 4.500 . 5.500 3.285 2.056 4.694 . 0 0 "[ . 1 . 2 ]" 1
1478 1 110 VAL MG2 1 111 ASP H 4.500 . 5.500 2.086 1.929 2.360 . 0 0 "[ . 1 . 2 ]" 1
1479 1 112 THR HA 1 113 LEU HG 4.500 . 4.500 4.047 3.666 4.373 . 0 0 "[ . 1 . 2 ]" 1
1480 1 112 THR MG 1 113 LEU H 4.500 . 5.500 2.389 1.792 3.173 . 0 0 "[ . 1 . 2 ]" 1
1481 1 116 THR MG 1 117 ARG H 3.500 . 4.500 3.287 3.074 3.391 . 0 0 "[ . 1 . 2 ]" 1
1482 1 118 LEU HG 1 119 ALA H 5.500 . 5.500 3.476 3.352 3.598 . 0 0 "[ . 1 . 2 ]" 1
1483 1 123 GLU QG 1 124 GLY H 4.500 . 5.500 3.204 2.008 4.452 . 0 0 "[ . 1 . 2 ]" 1
1484 1 126 THR MG 1 127 LYS H 4.500 . 5.500 2.396 2.006 2.978 . 0 0 "[ . 1 . 2 ]" 1
1485 1 128 MET ME 1 129 ILE H 4.500 . 5.500 2.555 2.445 2.884 . 0 0 "[ . 1 . 2 ]" 1
1486 1 128 MET QG 1 129 ILE H 4.500 . 5.500 2.454 2.005 3.018 . 0 0 "[ . 1 . 2 ]" 1
1487 1 128 MET ME 1 129 ILE MD 3.500 . 5.500 2.805 2.476 3.058 . 0 0 "[ . 1 . 2 ]" 1
1488 1 128 MET ME 1 129 ILE HG13 3.500 . 4.500 2.690 2.302 3.036 . 0 0 "[ . 1 . 2 ]" 1
1489 1 128 MET ME 1 129 ILE HG12 3.500 . 4.500 1.979 1.923 2.202 . 0 0 "[ . 1 . 2 ]" 1
1490 1 131 LEU HG 1 132 ASN H 5.500 . 5.500 4.852 4.739 4.965 . 0 0 "[ . 1 . 2 ]" 1
1491 1 132 ASN HA 1 133 TRP HD1 5.500 . 5.500 4.206 3.856 4.342 . 0 0 "[ . 1 . 2 ]" 1
1492 1 133 TRP HD1 1 134 ASP H 4.500 . 5.000 4.621 4.465 4.748 . 0 0 "[ . 1 . 2 ]" 1
1493 1 137 THR MG 1 138 LYS H 3.500 . 4.500 2.496 2.174 2.934 . 0 0 "[ . 1 . 2 ]" 1
1494 1 138 LYS QG 1 139 VAL H 4.500 . 5.500 2.465 1.860 3.086 . 0 0 "[ . 1 . 2 ]" 1
1495 1 147 THR MG 1 148 ASN H 4.500 . 5.500 4.001 3.915 4.086 . 0 0 "[ . 1 . 2 ]" 1
1496 1 148 ASN HA 1 149 PRO QD 2.500 . 3.500 2.002 1.936 2.022 . 0 0 "[ . 1 . 2 ]" 1
1497 1 152 THR MG 1 153 HIS H 3.500 . 4.500 2.459 2.097 3.730 . 0 0 "[ . 1 . 2 ]" 1
1498 1 152 THR HA 1 153 HIS HE1 5.500 . 6.500 4.380 4.216 4.551 . 0 0 "[ . 1 . 2 ]" 1
1499 1 154 THR MG 1 155 TYR H 3.500 . 4.500 2.404 2.240 2.606 . 0 0 "[ . 1 . 2 ]" 1
1500 1 154 THR MG 1 155 TYR HA 5.500 . 6.500 4.154 4.068 4.279 . 0 0 "[ . 1 . 2 ]" 1
1501 1 157 VAL HA 1 158 TRP HD1 3.500 . 3.500 3.250 3.126 3.423 . 0 0 "[ . 1 . 2 ]" 1
1502 1 3 PHE HA 1 3 PHE QD 2.500 . 3.500 2.841 2.692 2.923 . 0 0 "[ . 1 . 2 ]" 1
1503 1 3 PHE H 1 3 PHE QD 4.500 . 4.500 2.360 2.065 2.586 . 0 0 "[ . 1 . 2 ]" 1
1504 1 19 LEU HA 1 19 LEU QD 2.500 . 3.000 2.171 1.992 2.282 . 0 0 "[ . 1 . 2 ]" 1
1505 1 29 TYR HA 1 29 TYR QD 3.500 . 3.500 2.158 2.115 2.208 . 0 0 "[ . 1 . 2 ]" 1
1506 1 30 PHE HA 1 30 PHE QD 3.500 . 3.500 2.476 2.238 2.729 . 0 0 "[ . 1 . 2 ]" 1
1507 1 30 PHE HB3 1 30 PHE QD 2.500 . 3.000 2.323 2.301 2.369 . 0 0 "[ . 1 . 2 ]" 1
1508 1 30 PHE HB2 1 30 PHE QD 2.500 . 3.000 2.554 2.464 2.639 . 0 0 "[ . 1 . 2 ]" 1
1509 1 35 VAL H 1 35 VAL QG 3.500 . 3.500 1.692 1.666 1.721 . 0 0 "[ . 1 . 2 ]" 1
1510 1 39 MET QB 1 39 MET ME 3.500 . 4.500 2.170 1.951 2.427 . 0 0 "[ . 1 . 2 ]" 1
1511 1 46 TYR HA 1 46 TYR QD 2.500 . 2.500 2.323 2.181 2.484 . 0 0 "[ . 1 . 2 ]" 1
1512 1 46 TYR H 1 46 TYR QD 5.500 . 5.500 4.128 4.053 4.154 . 0 0 "[ . 1 . 2 ]" 1
1513 1 49 PHE HA 1 49 PHE QD 2.500 . 3.000 2.138 2.081 2.250 . 0 0 "[ . 1 . 2 ]" 1
1514 1 68 TYR HA 1 68 TYR QD 3.500 . 3.500 2.617 2.303 2.963 . 0 0 "[ . 1 . 2 ]" 1
1515 1 68 TYR HB3 1 68 TYR QD 2.500 . 3.000 2.352 2.304 2.453 . 0 0 "[ . 1 . 2 ]" 1
1516 1 68 TYR H 1 68 TYR QD 5.500 . 5.500 4.139 4.104 4.174 . 0 0 "[ . 1 . 2 ]" 1
1517 1 79 VAL H 1 79 VAL QG 2.500 . 3.500 1.969 1.916 2.062 . 0 0 "[ . 1 . 2 ]" 1
1518 1 79 VAL HA 1 79 VAL QG 2.500 . 3.500 2.105 2.037 2.138 . 0 0 "[ . 1 . 2 ]" 1
1519 1 83 PHE HA 1 83 PHE QD 3.500 . 3.500 2.198 2.156 2.239 . 0 0 "[ . 1 . 2 ]" 1
1520 1 83 PHE H 1 83 PHE QD 4.500 . 4.500 3.079 2.995 3.222 . 0 0 "[ . 1 . 2 ]" 1
1521 1 85 TYR HA 1 85 TYR QD 3.500 . 3.500 2.843 2.387 3.021 . 0 0 "[ . 1 . 2 ]" 1
1522 1 85 TYR H 1 85 TYR QD 4.500 . 5.000 4.184 4.148 4.242 . 0 0 "[ . 1 . 2 ]" 1
1523 1 85 TYR HA 1 85 TYR QE 5.500 . 5.500 4.487 4.318 4.551 . 0 0 "[ . 1 . 2 ]" 1
1524 1 94 LEU HA 1 94 LEU QD 3.500 . 3.500 2.203 2.047 2.687 . 0 0 "[ . 1 . 2 ]" 1
1525 1 102 ILE HA 1 102 ILE QG 3.500 . 3.500 2.999 2.996 3.003 . 0 0 "[ . 1 . 2 ]" 1
1526 1 106 PHE HA 1 106 PHE QD 3.500 . 3.500 2.739 2.440 3.089 . 0 0 "[ . 1 . 2 ]" 1
1527 1 106 PHE H 1 106 PHE QD 3.500 . 4.000 2.867 1.969 3.368 . 0 0 "[ . 1 . 2 ]" 1
1528 1 106 PHE H 1 106 PHE QE 5.500 . 5.500 4.925 4.298 5.306 . 0 0 "[ . 1 . 2 ]" 1
1529 1 110 VAL H 1 110 VAL QG 3.500 . 3.500 1.866 1.791 1.970 . 0 0 "[ . 1 . 2 ]" 1
1530 1 115 VAL H 1 115 VAL QG 3.500 . 3.500 1.931 1.825 2.128 . 0 0 "[ . 1 . 2 ]" 1
1531 1 117 ARG HA 1 118 LEU MD1 4.500 . 5.500 3.524 3.415 3.698 . 0 0 "[ . 1 . 2 ]" 1
1532 1 122 PHE HA 1 122 PHE QD 3.500 . 3.500 2.638 2.373 2.834 . 0 0 "[ . 1 . 2 ]" 1
1533 1 136 PHE HA 1 136 PHE QD 3.500 . 3.500 2.619 2.440 2.916 . 0 0 "[ . 1 . 2 ]" 1
1534 1 136 PHE H 1 136 PHE QD 4.500 . 4.500 3.341 2.203 3.681 . 0 0 "[ . 1 . 2 ]" 1
1535 1 139 VAL H 1 139 VAL QG 3.500 . 3.500 1.928 1.679 2.215 . 0 0 "[ . 1 . 2 ]" 1
1536 1 155 TYR HB3 1 155 TYR QD 3.500 . 3.500 2.460 2.397 2.606 . 0 0 "[ . 1 . 2 ]" 1
1537 1 155 TYR HB2 1 155 TYR QD 3.500 . 3.500 2.376 2.307 2.428 . 0 0 "[ . 1 . 2 ]" 1
1538 1 155 TYR HA 1 155 TYR QD 3.500 . 3.500 2.739 2.349 2.914 . 0 0 "[ . 1 . 2 ]" 1
1539 1 155 TYR H 1 155 TYR QD 4.500 . 4.500 2.486 2.278 2.883 . 0 0 "[ . 1 . 2 ]" 1
1540 1 157 VAL H 1 157 VAL QG 3.500 . 3.500 2.680 2.547 2.821 . 0 0 "[ . 1 . 2 ]" 1
1541 1 1 THR HA 1 1 THR MG 3.500 . 3.500 2.204 2.122 2.314 . 0 0 "[ . 1 . 2 ]" 1
1542 1 3 PHE H 1 3 PHE HB2 3.500 . 3.500 2.274 2.180 2.351 . 0 0 "[ . 1 . 2 ]" 1
1543 1 4 LEU HA 1 4 LEU MD1 2.500 . 3.500 2.313 2.183 2.450 . 0 0 "[ . 1 . 2 ]" 1
1544 1 4 LEU HA 1 4 LEU HG 4.500 . 4.500 2.704 2.638 2.777 . 0 0 "[ . 1 . 2 ]" 1
1545 1 4 LEU H 1 4 LEU HB3 3.500 . 3.500 3.013 2.821 3.144 . 0 0 "[ . 1 . 2 ]" 1
1546 1 5 TRP H 1 5 TRP HE3 3.500 . 3.500 2.266 2.216 3.129 . 0 0 "[ . 1 . 2 ]" 1
1547 1 5 TRP HA 1 5 TRP HE3 5.500 . 5.500 4.036 4.000 4.385 . 0 0 "[ . 1 . 2 ]" 1
1548 1 5 TRP QB 1 5 TRP HE3 3.500 . 4.500 2.828 2.615 2.845 . 0 0 "[ . 1 . 2 ]" 1
1549 1 7 GLN H 1 7 GLN HB3 3.500 . 3.500 3.272 3.221 3.332 . 0 0 "[ . 1 . 2 ]" 1
1550 1 8 ASP H 1 8 ASP HB3 3.500 . 3.500 3.023 2.962 3.107 . 0 0 "[ . 1 . 2 ]" 1
1551 1 9 ARG H 1 9 ARG HB3 3.500 . 3.500 2.638 2.632 2.646 . 0 0 "[ . 1 . 2 ]" 1
1552 1 9 ARG H 1 9 ARG QG 3.500 . 4.500 1.944 1.836 2.082 . 0 0 "[ . 1 . 2 ]" 1
1553 1 9 ARG H 1 9 ARG QD 5.500 . 6.500 3.841 3.526 4.095 . 0 0 "[ . 1 . 2 ]" 1
1554 1 10 ASP H 1 10 ASP HB2 2.500 . 3.000 2.304 2.210 2.421 . 0 0 "[ . 1 . 2 ]" 1
1555 1 12 LEU H 1 12 LEU HB3 3.500 . 3.500 2.889 2.814 2.918 . 0 0 "[ . 1 . 2 ]" 1
1556 1 12 LEU H 1 12 LEU HB2 3.500 . 3.500 2.663 2.564 2.967 . 0 0 "[ . 1 . 2 ]" 1
1557 1 12 LEU HA 1 12 LEU MD1 3.500 . 4.500 2.039 1.974 2.194 . 0 0 "[ . 1 . 2 ]" 1
1558 1 12 LEU HA 1 12 LEU MD2 4.500 . 5.500 3.748 3.736 3.797 . 0 0 "[ . 1 . 2 ]" 1
1559 1 13 ILE HA 1 13 ILE MG 3.500 . 4.500 2.356 2.302 2.486 . 0 0 "[ . 1 . 2 ]" 1
1560 1 13 ILE HB 1 13 ILE MD 3.500 . 4.500 2.317 1.993 3.221 . 0 0 "[ . 1 . 2 ]" 1
1561 1 15 LYS H 1 15 LYS HB3 3.500 . 3.500 3.179 3.101 3.263 . 0 0 "[ . 1 . 2 ]" 1
1562 1 16 ASP H 1 16 ASP HB2 3.500 . 3.500 3.302 3.269 3.510 0.010 13 0 "[ . 1 . 2 ]" 1
1563 1 19 LEU HA 1 19 LEU HG 2.500 . 3.000 2.615 2.467 2.693 . 0 0 "[ . 1 . 2 ]" 1
1564 1 21 TRP HB2 1 21 TRP HD1 3.500 . 3.500 2.704 2.690 2.737 . 0 0 "[ . 1 . 2 ]" 1
1565 1 21 TRP HB3 1 21 TRP HE3 3.500 . 3.500 2.561 2.534 2.574 . 0 0 "[ . 1 . 2 ]" 1
1566 1 22 HIS H 1 22 HIS HB3 3.500 . 3.500 2.816 2.709 2.940 . 0 0 "[ . 1 . 2 ]" 1
1567 1 22 HIS HB3 1 22 HIS HD2 3.500 . 3.500 2.751 2.749 2.753 . 0 0 "[ . 1 . 2 ]" 1
1568 1 23 LEU HA 1 23 LEU MD1 2.500 . 3.500 1.981 1.950 2.017 . 0 0 "[ . 1 . 2 ]" 1
1569 1 25 ASP H 1 25 ASP HB2 3.500 . 3.500 2.272 2.230 2.352 . 0 0 "[ . 1 . 2 ]" 1
1570 1 26 ASP H 1 26 ASP HB3 2.500 . 3.000 2.597 2.572 2.613 . 0 0 "[ . 1 . 2 ]" 1
1571 1 26 ASP H 1 26 ASP HB2 3.500 . 3.500 2.514 2.500 2.554 . 0 0 "[ . 1 . 2 ]" 1
1572 1 27 LEU H 1 27 LEU HB2 2.500 . 2.500 2.476 2.335 2.513 0.013 19 0 "[ . 1 . 2 ]" 1
1573 1 27 LEU HA 1 27 LEU MD2 2.500 . 3.500 2.085 2.013 2.145 . 0 0 "[ . 1 . 2 ]" 1
1574 1 27 LEU H 1 27 LEU MD1 4.500 . 5.500 3.505 3.474 3.585 . 0 0 "[ . 1 . 2 ]" 1
1575 1 27 LEU H 1 27 LEU MD2 4.500 . 5.500 3.401 3.323 3.653 . 0 0 "[ . 1 . 2 ]" 1
1576 1 28 HIS H 1 28 HIS QB 3.500 . 4.500 2.283 2.244 2.322 . 0 0 "[ . 1 . 2 ]" 1
1577 1 29 TYR H 1 29 TYR HB2 3.500 . 3.500 2.455 2.358 2.504 . 0 0 "[ . 1 . 2 ]" 1
1578 1 30 PHE H 1 30 PHE HB3 3.500 . 3.500 2.661 2.632 2.683 . 0 0 "[ . 1 . 2 ]" 1
1579 1 30 PHE H 1 30 PHE HB2 3.500 . 3.500 2.456 2.436 2.487 . 0 0 "[ . 1 . 2 ]" 1
1580 1 30 PHE H 1 30 PHE QB 2.500 . 3.500 2.266 2.262 2.274 . 0 0 "[ . 1 . 2 ]" 1
1581 1 31 ARG HA 1 31 ARG QG 3.500 . 4.500 2.237 2.059 2.456 . 0 0 "[ . 1 . 2 ]" 1
1582 1 33 GLN H 1 33 GLN HB2 2.500 . 2.500 2.387 2.317 2.473 . 0 0 "[ . 1 . 2 ]" 1
1583 1 33 GLN H 1 33 GLN QG 3.500 . 4.500 2.959 2.594 3.813 . 0 0 "[ . 1 . 2 ]" 1
1584 1 34 THR H 1 34 THR MG 3.500 . 4.500 3.146 3.024 3.193 . 0 0 "[ . 1 . 2 ]" 1
1585 1 34 THR HA 1 34 THR MG 3.500 . 4.500 2.313 2.293 2.337 . 0 0 "[ . 1 . 2 ]" 1
1586 1 37 LYS H 1 37 LYS HB2 3.500 . 3.500 2.748 2.396 2.872 . 0 0 "[ . 1 . 2 ]" 1
1587 1 38 ILE H 1 38 ILE HB 3.500 . 3.500 2.574 2.565 2.601 . 0 0 "[ . 1 . 2 ]" 1
1588 1 38 ILE H 1 38 ILE MG 4.500 . 5.500 3.815 3.789 3.843 . 0 0 "[ . 1 . 2 ]" 1
1589 1 40 VAL H 1 40 VAL HB 3.500 . 3.500 2.658 2.571 2.830 . 0 0 "[ . 1 . 2 ]" 1
1590 1 40 VAL H 1 40 VAL MG1 4.500 . 5.500 3.865 3.817 3.949 . 0 0 "[ . 1 . 2 ]" 1
1591 1 40 VAL H 1 40 VAL MG2 3.500 . 4.500 2.493 2.233 2.868 . 0 0 "[ . 1 . 2 ]" 1
1592 1 40 VAL HA 1 40 VAL MG1 3.500 . 4.500 2.310 2.247 2.359 . 0 0 "[ . 1 . 2 ]" 1
1593 1 40 VAL HA 1 40 VAL MG2 3.500 . 4.500 2.380 2.341 2.432 . 0 0 "[ . 1 . 2 ]" 1
1594 1 41 VAL H 1 41 VAL MG1 4.500 . 5.500 3.008 2.951 3.170 . 0 0 "[ . 1 . 2 ]" 1
1595 1 41 VAL H 1 41 VAL MG2 3.500 . 4.500 2.172 1.984 2.326 . 0 0 "[ . 1 . 2 ]" 1
1596 1 41 VAL HA 1 41 VAL MG1 2.500 . 3.500 2.340 2.201 2.375 . 0 0 "[ . 1 . 2 ]" 1
1597 1 43 ARG H 1 43 ARG HB3 3.500 . 4.000 2.892 2.663 3.612 . 0 0 "[ . 1 . 2 ]" 1
1598 1 44 ARG H 1 44 ARG QB 3.500 . 4.500 2.338 2.196 2.618 . 0 0 "[ . 1 . 2 ]" 1
1599 1 44 ARG H 1 44 ARG QD 5.500 . 5.500 4.109 3.331 4.780 . 0 0 "[ . 1 . 2 ]" 1
1600 1 45 THR H 1 45 THR HB 3.500 . 3.500 2.655 2.613 2.824 . 0 0 "[ . 1 . 2 ]" 1
1601 1 45 THR HA 1 45 THR MG 3.500 . 4.500 2.261 2.106 2.343 . 0 0 "[ . 1 . 2 ]" 1
1602 1 46 TYR H 1 46 TYR QB 3.500 . 4.500 2.255 2.226 2.269 . 0 0 "[ . 1 . 2 ]" 1
1603 1 47 GLU H 1 47 GLU HB2 2.500 . 2.500 2.376 2.278 2.455 . 0 0 "[ . 1 . 2 ]" 1
1604 1 48 SER H 1 48 SER QB 3.500 . 4.500 2.348 2.212 2.519 . 0 0 "[ . 1 . 2 ]" 1
1605 1 49 PHE H 1 49 PHE QB 3.500 . 4.500 2.388 2.223 2.537 . 0 0 "[ . 1 . 2 ]" 1
1606 1 51 LYS H 1 51 LYS QB 3.500 . 4.500 2.617 2.322 3.047 . 0 0 "[ . 1 . 2 ]" 1
1607 1 54 LEU H 1 54 LEU HB2 3.500 . 3.500 2.519 2.330 2.638 . 0 0 "[ . 1 . 2 ]" 1
1608 1 54 LEU H 1 54 LEU MD1 4.500 . 5.500 3.573 3.367 3.905 . 0 0 "[ . 1 . 2 ]" 1
1609 1 54 LEU H 1 54 LEU MD2 4.500 . 5.500 3.490 3.201 3.861 . 0 0 "[ . 1 . 2 ]" 1
1610 1 54 LEU HA 1 54 LEU MD1 4.500 . 5.500 3.834 3.776 3.884 . 0 0 "[ . 1 . 2 ]" 1
1611 1 54 LEU HA 1 54 LEU MD2 3.500 . 4.500 2.047 1.955 2.146 . 0 0 "[ . 1 . 2 ]" 1
1612 1 57 ARG H 1 57 ARG HE 4.500 . 5.000 3.924 3.740 4.734 . 0 0 "[ . 1 . 2 ]" 1
1613 1 58 THR HA 1 58 THR MG 2.500 . 3.500 2.235 2.119 2.317 . 0 0 "[ . 1 . 2 ]" 1
1614 1 58 THR H 1 58 THR MG 4.500 . 5.500 3.839 3.766 3.908 . 0 0 "[ . 1 . 2 ]" 1
1615 1 59 ASN H 1 59 ASN HB2 3.500 . 3.500 2.444 2.311 2.653 . 0 0 "[ . 1 . 2 ]" 1
1616 1 59 ASN H 1 59 ASN QD 3.500 . 4.500 2.799 1.943 3.788 . 0 0 "[ . 1 . 2 ]" 1
1617 1 60 VAL H 1 60 VAL HB 3.500 . 3.500 2.625 2.570 2.725 . 0 0 "[ . 1 . 2 ]" 1
1618 1 60 VAL H 1 60 VAL MG1 4.500 . 5.500 3.855 3.813 3.907 . 0 0 "[ . 1 . 2 ]" 1
1619 1 60 VAL H 1 60 VAL MG2 3.500 . 4.500 2.445 2.235 2.692 . 0 0 "[ . 1 . 2 ]" 1
1620 1 60 VAL HA 1 60 VAL MG2 3.500 . 4.500 2.396 2.350 2.441 . 0 0 "[ . 1 . 2 ]" 1
1621 1 61 VAL H 1 61 VAL HB 3.500 . 3.500 2.671 2.566 2.820 . 0 0 "[ . 1 . 2 ]" 1
1622 1 61 VAL H 1 61 VAL MG1 4.500 . 5.500 3.868 3.790 3.945 . 0 0 "[ . 1 . 2 ]" 1
1623 1 61 VAL H 1 61 VAL MG2 3.500 . 4.500 2.477 2.081 2.864 . 0 0 "[ . 1 . 2 ]" 1
1624 1 61 VAL HA 1 61 VAL MG1 3.500 . 4.500 2.299 2.240 2.360 . 0 0 "[ . 1 . 2 ]" 1
1625 1 61 VAL HA 1 61 VAL MG2 3.500 . 4.500 2.393 2.341 2.436 . 0 0 "[ . 1 . 2 ]" 1
1626 1 62 LEU HA 1 62 LEU HB2 2.500 . 3.000 2.540 2.529 2.556 . 0 0 "[ . 1 . 2 ]" 1
1627 1 62 LEU H 1 62 LEU HB3 3.500 . 3.500 2.645 2.613 2.679 . 0 0 "[ . 1 . 2 ]" 1
1628 1 62 LEU H 1 62 LEU HB2 3.500 . 3.500 2.746 2.667 2.852 . 0 0 "[ . 1 . 2 ]" 1
1629 1 62 LEU HA 1 62 LEU MD1 2.500 . 3.500 2.158 2.043 2.249 . 0 0 "[ . 1 . 2 ]" 1
1630 1 62 LEU HA 1 62 LEU MD2 4.500 . 5.500 3.819 3.807 3.828 . 0 0 "[ . 1 . 2 ]" 1
1631 1 63 THR H 1 63 THR MG 3.500 . 4.500 2.196 2.030 2.325 . 0 0 "[ . 1 . 2 ]" 1
1632 1 63 THR HA 1 63 THR MG 3.500 . 4.500 3.195 3.190 3.197 . 0 0 "[ . 1 . 2 ]" 1
1633 1 64 HIS HA 1 64 HIS HD2 4.500 . 4.500 3.746 2.278 4.466 . 0 0 "[ . 1 . 2 ]" 1
1634 1 66 GLU H 1 66 GLU QB 2.500 . 3.500 2.375 2.268 2.728 . 0 0 "[ . 1 . 2 ]" 1
1635 1 66 GLU H 1 66 GLU QG 3.500 . 4.500 3.152 1.744 4.041 . 0 0 "[ . 1 . 2 ]" 1
1636 1 67 ASP H 1 67 ASP HB2 3.500 . 3.500 2.643 2.300 3.598 0.098 16 0 "[ . 1 . 2 ]" 1
1637 1 68 TYR H 1 68 TYR HB3 3.500 . 3.500 2.733 2.677 2.784 . 0 0 "[ . 1 . 2 ]" 1
1638 1 68 TYR H 1 68 TYR HB2 2.500 . 3.000 2.406 2.350 2.456 . 0 0 "[ . 1 . 2 ]" 1
1639 1 69 GLN H 1 69 GLN HB2 2.500 . 3.000 2.754 2.488 2.847 . 0 0 "[ . 1 . 2 ]" 1
1640 1 69 GLN H 1 69 GLN QG 3.500 . 4.500 3.244 2.979 3.477 . 0 0 "[ . 1 . 2 ]" 1
1641 1 74 VAL H 1 74 VAL HB 3.500 . 3.500 2.574 2.566 2.587 . 0 0 "[ . 1 . 2 ]" 1
1642 1 74 VAL H 1 74 VAL MG1 4.500 . 5.500 3.791 3.777 3.821 . 0 0 "[ . 1 . 2 ]" 1
1643 1 74 VAL H 1 74 VAL MG2 3.500 . 4.500 2.119 1.991 2.314 . 0 0 "[ . 1 . 2 ]" 1
1644 1 74 VAL HA 1 74 VAL MG1 3.500 . 4.500 2.311 2.242 2.358 . 0 0 "[ . 1 . 2 ]" 1
1645 1 74 VAL HA 1 74 VAL MG2 3.500 . 4.500 2.384 2.344 2.425 . 0 0 "[ . 1 . 2 ]" 1
1646 1 75 VAL H 1 75 VAL HB 3.500 . 3.500 2.574 2.567 2.587 . 0 0 "[ . 1 . 2 ]" 1
1647 1 75 VAL H 1 75 VAL MG2 3.500 . 4.500 2.096 2.006 2.300 . 0 0 "[ . 1 . 2 ]" 1
1648 1 75 VAL HA 1 75 VAL MG2 3.500 . 4.500 2.399 2.358 2.434 . 0 0 "[ . 1 . 2 ]" 1
1649 1 76 VAL H 1 76 VAL MG1 4.500 . 5.500 2.534 2.399 3.014 . 0 0 "[ . 1 . 2 ]" 1
1650 1 76 VAL H 1 76 VAL MG2 3.500 . 4.500 1.828 1.704 2.018 . 0 0 "[ . 1 . 2 ]" 1
1651 1 76 VAL HA 1 76 VAL MG1 2.500 . 3.500 2.306 2.229 2.367 . 0 0 "[ . 1 . 2 ]" 1
1652 1 77 HIS H 1 77 HIS HB2 3.500 . 3.500 2.762 2.686 2.845 . 0 0 "[ . 1 . 2 ]" 1
1653 1 77 HIS HA 1 77 HIS HD2 4.500 . 4.500 3.998 3.748 4.225 . 0 0 "[ . 1 . 2 ]" 1
1654 1 77 HIS HB2 1 77 HIS HD2 3.500 . 3.500 2.943 2.854 3.051 . 0 0 "[ . 1 . 2 ]" 1
1655 1 79 VAL H 1 79 VAL HB 3.500 . 3.500 2.600 2.594 2.611 . 0 0 "[ . 1 . 2 ]" 1
1656 1 82 VAL H 1 82 VAL HB 3.500 . 3.500 2.598 2.590 2.604 . 0 0 "[ . 1 . 2 ]" 1
1657 1 82 VAL H 1 82 VAL MG1 4.500 . 5.500 3.773 3.771 3.774 . 0 0 "[ . 1 . 2 ]" 1
1658 1 82 VAL H 1 82 VAL MG2 2.500 . 3.500 2.071 1.899 2.133 . 0 0 "[ . 1 . 2 ]" 1
1659 1 82 VAL HA 1 82 VAL MG1 2.500 . 3.500 2.308 2.247 2.358 . 0 0 "[ . 1 . 2 ]" 1
1660 1 82 VAL HA 1 82 VAL MG2 2.500 . 3.500 2.361 2.331 2.449 . 0 0 "[ . 1 . 2 ]" 1
1661 1 83 PHE H 1 83 PHE HB2 2.500 . 2.500 2.298 2.224 2.362 . 0 0 "[ . 1 . 2 ]" 1
1662 1 85 TYR H 1 85 TYR HB3 4.000 . 4.000 2.681 2.644 2.725 . 0 0 "[ . 1 . 2 ]" 1
1663 1 85 TYR H 1 85 TYR HB2 3.500 . 3.500 2.458 2.410 2.597 . 0 0 "[ . 1 . 2 ]" 1
1664 1 87 LYS HA 1 87 LYS QB 2.500 . 3.500 2.442 2.200 2.491 . 0 0 "[ . 1 . 2 ]" 1
1665 1 88 GLN HA 1 88 GLN QB 2.500 . 3.500 2.426 2.199 2.515 . 0 0 "[ . 1 . 2 ]" 1
1666 1 88 GLN HA 1 88 GLN QE 4.500 . 5.500 4.054 2.271 4.744 . 0 0 "[ . 1 . 2 ]" 1
1667 1 89 HIS H 1 89 HIS HB2 3.500 . 3.500 2.508 2.450 2.700 . 0 0 "[ . 1 . 2 ]" 1
1668 1 89 HIS HA 1 89 HIS HD2 3.500 . 3.500 3.266 2.362 3.496 . 0 0 "[ . 1 . 2 ]" 1
1669 1 89 HIS H 1 89 HIS HD2 4.500 . 4.500 3.204 2.932 3.795 . 0 0 "[ . 1 . 2 ]" 1
1670 1 89 HIS HB3 1 89 HIS HD2 3.500 . 4.000 3.956 3.482 4.002 0.002 3 0 "[ . 1 . 2 ]" 1
1671 1 91 ASP H 1 91 ASP QB 3.500 . 4.500 2.400 2.238 2.701 . 0 0 "[ . 1 . 2 ]" 1
1672 1 92 GLN H 1 92 GLN HB2 2.500 . 2.500 2.425 2.320 2.499 . 0 0 "[ . 1 . 2 ]" 1
1673 1 93 GLU H 1 93 GLU HB2 3.500 . 3.500 2.614 2.333 2.762 . 0 0 "[ . 1 . 2 ]" 1
1674 1 94 LEU H 1 94 LEU QB 2.500 . 3.500 2.324 2.172 2.418 . 0 0 "[ . 1 . 2 ]" 1
1675 1 95 VAL H 1 95 VAL HB 3.500 . 3.500 2.781 2.620 2.908 . 0 0 "[ . 1 . 2 ]" 1
1676 1 96 ILE H 1 96 ILE MD 3.500 . 4.500 3.318 3.257 3.390 . 0 0 "[ . 1 . 2 ]" 1
1677 1 96 ILE HB 1 96 ILE MD 3.500 . 4.500 3.217 3.216 3.218 . 0 0 "[ . 1 . 2 ]" 1
1678 1 96 ILE HA 1 96 ILE MD 2.500 . 3.500 2.031 1.972 2.078 . 0 0 "[ . 1 . 2 ]" 1
1679 1 96 ILE HA 1 96 ILE MG 3.500 . 4.500 2.341 2.309 2.361 . 0 0 "[ . 1 . 2 ]" 1
1680 1 96 ILE H 1 96 ILE HB 3.500 . 3.500 2.593 2.576 2.615 . 0 0 "[ . 1 . 2 ]" 1
1681 1 96 ILE H 1 96 ILE QG 3.500 . 4.500 2.294 2.209 2.399 . 0 0 "[ . 1 . 2 ]" 1
1682 1 96 ILE H 1 96 ILE MG 4.500 . 5.500 3.830 3.815 3.850 . 0 0 "[ . 1 . 2 ]" 1
1683 1 101 GLN H 1 101 GLN HB2 3.500 . 3.500 2.522 2.304 3.594 0.094 3 0 "[ . 1 . 2 ]" 1
1684 1 102 ILE H 1 102 ILE HB 3.500 . 3.500 2.579 2.566 2.590 . 0 0 "[ . 1 . 2 ]" 1
1685 1 102 ILE H 1 102 ILE QG 3.500 . 4.500 2.020 1.973 2.089 . 0 0 "[ . 1 . 2 ]" 1
1686 1 102 ILE H 1 102 ILE MD 4.500 . 5.500 3.119 3.072 3.183 . 0 0 "[ . 1 . 2 ]" 1
1687 1 103 PHE H 1 103 PHE HB2 3.500 . 3.500 2.354 2.293 2.414 . 0 0 "[ . 1 . 2 ]" 1
1688 1 104 THR H 1 104 THR HB 3.500 . 3.500 2.975 2.639 3.514 0.014 21 0 "[ . 1 . 2 ]" 1
1689 1 104 THR HA 1 104 THR MG 3.500 . 4.500 2.336 2.031 3.199 . 0 0 "[ . 1 . 2 ]" 1
1690 1 104 THR H 1 104 THR MG 4.500 . 5.500 3.219 1.802 3.745 . 0 0 "[ . 1 . 2 ]" 1
1691 1 105 ALA H 1 105 ALA MB 2.500 . 3.500 2.235 2.186 2.271 . 0 0 "[ . 1 . 2 ]" 1
1692 1 106 PHE H 1 106 PHE HB2 2.500 . 3.000 2.426 2.301 2.565 . 0 0 "[ . 1 . 2 ]" 1
1693 1 107 LYS H 1 107 LYS QB 3.500 . 4.500 2.404 2.129 2.606 . 0 0 "[ . 1 . 2 ]" 1
1694 1 107 LYS H 1 107 LYS QG 3.500 . 4.500 2.999 1.816 4.069 . 0 0 "[ . 1 . 2 ]" 1
1695 1 107 LYS H 1 107 LYS QD 4.500 . 5.500 4.077 3.299 4.612 . 0 0 "[ . 1 . 2 ]" 1
1696 1 108 ASP H 1 108 ASP HB3 3.500 . 3.500 2.782 2.708 2.857 . 0 0 "[ . 1 . 2 ]" 1
1697 1 108 ASP H 1 108 ASP HB2 3.500 . 3.500 2.382 2.292 2.477 . 0 0 "[ . 1 . 2 ]" 1
1698 1 109 ASP H 1 109 ASP HB2 3.500 . 3.500 2.688 2.357 2.880 . 0 0 "[ . 1 . 2 ]" 1
1699 1 110 VAL HA 1 110 VAL MG2 3.500 . 3.500 2.291 2.277 2.319 . 0 0 "[ . 1 . 2 ]" 1
1700 1 110 VAL H 1 110 VAL HB 3.500 . 3.500 2.800 2.685 2.935 . 0 0 "[ . 1 . 2 ]" 1
1701 1 112 THR H 1 112 THR HB 3.500 . 3.500 2.708 2.607 2.786 . 0 0 "[ . 1 . 2 ]" 1
1702 1 112 THR H 1 112 THR MG 4.500 . 5.500 3.826 3.775 3.867 . 0 0 "[ . 1 . 2 ]" 1
1703 1 112 THR HA 1 112 THR MG 2.500 . 3.500 2.221 2.132 2.304 . 0 0 "[ . 1 . 2 ]" 1
1704 1 113 LEU H 1 113 LEU QB 3.500 . 4.500 2.518 2.301 2.675 . 0 0 "[ . 1 . 2 ]" 1
1705 1 113 LEU HA 1 113 LEU MD1 4.500 . 5.500 3.794 3.759 3.823 . 0 0 "[ . 1 . 2 ]" 1
1706 1 113 LEU HA 1 113 LEU MD2 3.500 . 3.500 2.059 1.966 2.190 . 0 0 "[ . 1 . 2 ]" 1
1707 1 113 LEU H 1 113 LEU MD1 4.500 . 5.500 3.886 3.402 4.166 . 0 0 "[ . 1 . 2 ]" 1
1708 1 113 LEU H 1 113 LEU MD2 4.500 . 5.500 4.195 3.984 4.331 . 0 0 "[ . 1 . 2 ]" 1
1709 1 113 LEU H 1 113 LEU HG 3.500 . 3.500 3.218 2.714 3.499 . 0 0 "[ . 1 . 2 ]" 1
1710 1 114 LEU H 1 114 LEU HB2 3.500 . 3.500 2.440 2.403 2.495 . 0 0 "[ . 1 . 2 ]" 1
1711 1 114 LEU H 1 114 LEU HG 3.500 . 4.000 2.642 2.481 2.805 . 0 0 "[ . 1 . 2 ]" 1
1712 1 114 LEU HA 1 114 LEU HG 3.500 . 3.500 2.742 2.682 2.812 . 0 0 "[ . 1 . 2 ]" 1
1713 1 114 LEU HA 1 114 LEU MD2 3.500 . 4.500 2.154 2.047 2.273 . 0 0 "[ . 1 . 2 ]" 1
1714 1 114 LEU H 1 114 LEU MD1 4.500 . 5.500 3.485 3.396 3.574 . 0 0 "[ . 1 . 2 ]" 1
1715 1 114 LEU H 1 114 LEU MD2 4.500 . 5.500 3.898 3.760 4.037 . 0 0 "[ . 1 . 2 ]" 1
1716 1 116 THR H 1 116 THR HB 3.500 . 3.500 2.654 2.614 2.698 . 0 0 "[ . 1 . 2 ]" 1
1717 1 116 THR H 1 116 THR MG 4.500 . 5.500 3.864 3.848 3.888 . 0 0 "[ . 1 . 2 ]" 1
1718 1 116 THR HA 1 116 THR MG 2.500 . 3.500 2.307 2.189 2.380 . 0 0 "[ . 1 . 2 ]" 1
1719 1 116 THR HG1 1 116 THR MG 2.500 . 3.500 2.488 2.011 2.968 . 0 0 "[ . 1 . 2 ]" 1
1720 1 118 LEU H 1 118 LEU HB2 3.500 . 3.500 2.390 2.297 2.517 . 0 0 "[ . 1 . 2 ]" 1
1721 1 118 LEU HA 1 118 LEU MD1 3.500 . 4.500 2.416 2.299 2.523 . 0 0 "[ . 1 . 2 ]" 1
1722 1 118 LEU HA 1 118 LEU MD2 4.500 . 5.500 3.657 3.625 3.680 . 0 0 "[ . 1 . 2 ]" 1
1723 1 118 LEU H 1 118 LEU MD1 3.500 . 4.500 3.002 2.688 3.227 . 0 0 "[ . 1 . 2 ]" 1
1724 1 118 LEU H 1 118 LEU MD2 5.500 . 5.500 4.403 4.264 4.556 . 0 0 "[ . 1 . 2 ]" 1
1725 1 121 SER H 1 121 SER QB 3.500 . 4.500 2.630 2.257 2.891 . 0 0 "[ . 1 . 2 ]" 1
1726 1 122 PHE H 1 122 PHE HB2 3.500 . 3.500 2.830 2.794 2.854 . 0 0 "[ . 1 . 2 ]" 1
1727 1 123 GLU H 1 123 GLU QB 3.500 . 4.500 2.405 2.281 2.836 . 0 0 "[ . 1 . 2 ]" 1
1728 1 123 GLU H 1 123 GLU QG 4.500 . 5.500 3.111 1.765 4.119 . 0 0 "[ . 1 . 2 ]" 1
1729 1 126 THR H 1 126 THR HB 3.500 . 3.500 2.742 2.637 3.031 . 0 0 "[ . 1 . 2 ]" 1
1730 1 126 THR HA 1 126 THR MG 2.500 . 3.500 2.269 2.142 2.337 . 0 0 "[ . 1 . 2 ]" 1
1731 1 126 THR H 1 126 THR MG 4.500 . 5.500 3.830 3.781 4.013 . 0 0 "[ . 1 . 2 ]" 1
1732 1 127 LYS H 1 127 LYS HB2 3.500 . 3.500 2.544 2.401 2.648 . 0 0 "[ . 1 . 2 ]" 1
1733 1 128 MET H 1 128 MET HB3 3.500 . 3.500 2.760 2.587 2.930 . 0 0 "[ . 1 . 2 ]" 1
1734 1 128 MET H 1 128 MET HB2 3.500 . 3.500 2.545 2.278 2.723 . 0 0 "[ . 1 . 2 ]" 1
1735 1 128 MET HA 1 128 MET ME 4.500 . 5.500 3.404 3.222 3.731 . 0 0 "[ . 1 . 2 ]" 1
1736 1 129 ILE H 1 129 ILE QG 2.500 . 3.500 1.903 1.861 1.957 . 0 0 "[ . 1 . 2 ]" 1
1737 1 129 ILE H 1 129 ILE MG 3.500 . 4.500 2.323 2.198 2.413 . 0 0 "[ . 1 . 2 ]" 1
1738 1 129 ILE HA 1 129 ILE MG 3.500 . 4.500 2.247 2.209 2.377 . 0 0 "[ . 1 . 2 ]" 1
1739 1 131 LEU H 1 131 LEU HB2 2.500 . 2.500 2.436 2.328 2.489 . 0 0 "[ . 1 . 2 ]" 1
1740 1 131 LEU H 1 131 LEU HG 3.500 . 3.500 2.493 2.224 2.745 . 0 0 "[ . 1 . 2 ]" 1
1741 1 131 LEU H 1 131 LEU MD1 4.500 . 5.500 3.496 3.348 3.693 . 0 0 "[ . 1 . 2 ]" 1
1742 1 131 LEU HA 1 131 LEU MD2 4.500 . 5.500 2.036 1.962 2.152 . 0 0 "[ . 1 . 2 ]" 1
1743 1 132 ASN H 1 132 ASN HB3 3.500 . 3.500 2.741 2.617 2.797 . 0 0 "[ . 1 . 2 ]" 1
1744 1 132 ASN H 1 132 ASN HB2 3.500 . 3.500 2.469 2.412 2.601 . 0 0 "[ . 1 . 2 ]" 1
1745 1 133 TRP H 1 133 TRP HB2 3.500 . 3.500 2.485 2.455 2.525 . 0 0 "[ . 1 . 2 ]" 1
1746 1 133 TRP H 1 133 TRP HD1 2.500 . 2.500 2.384 2.106 2.504 0.004 15 0 "[ . 1 . 2 ]" 1
1747 1 133 TRP HA 1 133 TRP HD1 4.500 . 4.500 4.195 4.080 4.263 . 0 0 "[ . 1 . 2 ]" 1
1748 1 133 TRP HA 1 133 TRP HE3 4.500 . 4.500 2.982 2.864 3.267 . 0 0 "[ . 1 . 2 ]" 1
1749 1 133 TRP H 1 133 TRP HE3 5.500 . 5.500 5.142 5.095 5.250 . 0 0 "[ . 1 . 2 ]" 1
1750 1 133 TRP HB2 1 133 TRP HD1 3.500 . 3.500 2.609 2.587 2.672 . 0 0 "[ . 1 . 2 ]" 1
1751 1 134 ASP H 1 134 ASP HB3 3.500 . 3.500 2.984 2.663 3.506 0.006 2 0 "[ . 1 . 2 ]" 1
1752 1 134 ASP H 1 134 ASP HB2 2.500 . 2.500 2.324 2.170 2.483 . 0 0 "[ . 1 . 2 ]" 1
1753 1 136 PHE H 1 136 PHE HB2 3.500 . 3.500 2.675 2.378 2.850 . 0 0 "[ . 1 . 2 ]" 1
1754 1 137 THR H 1 137 THR MG 4.500 . 5.500 4.010 3.973 4.042 . 0 0 "[ . 1 . 2 ]" 1
1755 1 137 THR HA 1 137 THR MG 3.500 . 4.500 2.250 2.140 2.310 . 0 0 "[ . 1 . 2 ]" 1
1756 1 137 THR H 1 137 THR HB 3.500 . 3.500 3.009 2.920 3.104 . 0 0 "[ . 1 . 2 ]" 1
1757 1 138 LYS H 1 138 LYS HB3 3.500 . 3.500 2.729 2.673 2.805 . 0 0 "[ . 1 . 2 ]" 1
1758 1 138 LYS H 1 138 LYS HB2 3.500 . 3.500 2.432 2.347 2.539 . 0 0 "[ . 1 . 2 ]" 1
1759 1 138 LYS H 1 138 LYS HG3 5.500 . 5.500 4.378 4.307 4.467 . 0 0 "[ . 1 . 2 ]" 1
1760 1 138 LYS H 1 138 LYS HG2 5.500 . 5.500 4.543 4.482 4.607 . 0 0 "[ . 1 . 2 ]" 1
1761 1 141 SER H 1 141 SER HB3 3.500 . 3.500 3.197 2.934 3.457 . 0 0 "[ . 1 . 2 ]" 1
1762 1 142 ARG H 1 142 ARG QB 3.500 . 4.500 2.398 2.301 2.702 . 0 0 "[ . 1 . 2 ]" 1
1763 1 142 ARG H 1 142 ARG QG 4.500 . 5.500 4.088 3.997 4.167 . 0 0 "[ . 1 . 2 ]" 1
1764 1 143 THR H 1 143 THR HB 3.500 . 3.500 2.697 2.651 2.737 . 0 0 "[ . 1 . 2 ]" 1
1765 1 143 THR HA 1 143 THR MG 2.500 . 3.500 2.242 2.155 2.314 . 0 0 "[ . 1 . 2 ]" 1
1766 1 143 THR H 1 143 THR MG 4.500 . 5.500 3.802 3.777 3.825 . 0 0 "[ . 1 . 2 ]" 1
1767 1 144 VAL H 1 144 VAL HB 3.500 . 3.500 3.374 3.323 3.429 . 0 0 "[ . 1 . 2 ]" 1
1768 1 144 VAL HA 1 144 VAL MG2 2.500 . 3.500 2.330 2.301 2.368 . 0 0 "[ . 1 . 2 ]" 1
1769 1 145 GLU H 1 145 GLU QB 2.500 . 3.500 2.510 2.344 3.065 . 0 0 "[ . 1 . 2 ]" 1
1770 1 145 GLU H 1 145 GLU QG 3.500 . 4.500 3.154 1.761 4.081 . 0 0 "[ . 1 . 2 ]" 1
1771 1 146 ASP H 1 146 ASP HB3 3.500 . 3.500 2.811 2.779 2.942 . 0 0 "[ . 1 . 2 ]" 1
1772 1 146 ASP H 1 146 ASP HB2 3.500 . 3.500 2.397 2.304 2.458 . 0 0 "[ . 1 . 2 ]" 1
1773 1 147 THR H 1 147 THR HB 3.500 . 4.500 3.589 3.553 3.614 . 0 0 "[ . 1 . 2 ]" 1
1774 1 147 THR H 1 147 THR MG 3.500 . 4.500 2.468 2.185 2.648 . 0 0 "[ . 1 . 2 ]" 1
1775 1 147 THR HA 1 147 THR MG 3.500 . 4.500 2.236 2.135 2.376 . 0 0 "[ . 1 . 2 ]" 1
1776 1 148 ASN H 1 148 ASN HB3 3.500 . 3.500 2.759 2.597 3.004 . 0 0 "[ . 1 . 2 ]" 1
1777 1 148 ASN H 1 148 ASN HB2 3.500 . 3.500 2.631 2.305 2.784 . 0 0 "[ . 1 . 2 ]" 1
1778 1 148 ASN HB2 1 148 ASN QD 2.500 . 3.500 2.451 2.223 3.054 . 0 0 "[ . 1 . 2 ]" 1
1779 1 151 LEU H 1 151 LEU HB2 3.500 . 3.500 2.300 2.226 2.358 . 0 0 "[ . 1 . 2 ]" 1
1780 1 151 LEU H 1 151 LEU HG 3.500 . 3.500 2.731 2.623 2.845 . 0 0 "[ . 1 . 2 ]" 1
1781 1 151 LEU H 1 151 LEU MD1 4.500 . 5.500 3.580 3.418 3.674 . 0 0 "[ . 1 . 2 ]" 1
1782 1 151 LEU H 1 151 LEU MD2 4.500 . 5.500 3.880 3.738 4.054 . 0 0 "[ . 1 . 2 ]" 1
1783 1 151 LEU HA 1 151 LEU MD2 2.500 . 3.500 2.003 1.943 2.169 . 0 0 "[ . 1 . 2 ]" 1
1784 1 152 THR H 1 152 THR MG 4.500 . 5.500 3.685 2.345 3.813 . 0 0 "[ . 1 . 2 ]" 1
1785 1 152 THR HA 1 152 THR MG 3.500 . 4.500 2.267 2.146 2.385 . 0 0 "[ . 1 . 2 ]" 1
1786 1 153 HIS HA 1 153 HIS HB3 2.500 . 3.000 2.430 2.428 2.431 . 0 0 "[ . 1 . 2 ]" 1
1787 1 153 HIS HA 1 153 HIS HB2 2.500 . 3.000 2.511 2.509 2.513 . 0 0 "[ . 1 . 2 ]" 1
1788 1 154 THR H 1 154 THR HB 3.500 . 3.500 2.873 2.828 2.899 . 0 0 "[ . 1 . 2 ]" 1
1789 1 154 THR HA 1 154 THR MG 2.500 . 3.500 2.273 2.165 2.350 . 0 0 "[ . 1 . 2 ]" 1
1790 1 155 TYR H 1 155 TYR HB2 3.500 . 3.500 2.439 2.368 2.485 . 0 0 "[ . 1 . 2 ]" 1
1791 1 156 GLU H 1 156 GLU QG 4.500 . 5.500 2.587 2.136 3.506 . 0 0 "[ . 1 . 2 ]" 1
1792 1 157 VAL H 1 157 VAL HB 3.500 . 3.500 2.720 2.631 2.834 . 0 0 "[ . 1 . 2 ]" 1
1793 1 158 TRP H 1 158 TRP HD1 3.500 . 3.500 2.233 2.064 2.392 . 0 0 "[ . 1 . 2 ]" 1
1794 1 158 TRP H 1 158 TRP HB2 3.500 . 3.500 2.489 2.454 2.535 . 0 0 "[ . 1 . 2 ]" 1
1795 1 158 TRP HB2 1 158 TRP HD1 3.500 . 3.500 2.880 2.838 2.902 . 0 0 "[ . 1 . 2 ]" 1
1796 1 159 GLN H 1 159 GLN HB2 3.500 . 3.500 2.739 2.682 2.807 . 0 0 "[ . 1 . 2 ]" 1
1797 1 160 LYS H 1 160 LYS QB 3.500 . 4.500 2.259 2.232 2.299 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 1.612
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0019
_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 1 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 MET 0.003 0.002 12 0 "[ . 1 . 2 ]"
1 40 VAL 0.015 0.006 2 0 "[ . 1 . 2 ]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 PHE 0.016 0.004 13 0 "[ . 1 . 2 ]"
1 54 LEU 0.013 0.004 13 0 "[ . 1 . 2 ]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 VAL 0.017 0.006 2 0 "[ . 1 . 2 ]"
1 82 VAL 0.025 0.004 13 0 "[ . 1 . 2 ]"
1 83 PHE 0.013 0.004 22 0 "[ . 1 . 2 ]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 LEU 0.037 0.004 22 0 "[ . 1 . 2 ]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 ILE 0.003 0.003 6 0 "[ . 1 . 2 ]"
1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 PHE 0.042 0.006 2 0 "[ . 1 . 2 ]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 128 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 129 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 133 TRP 0.002 0.002 5 0 "[ . 1 . 2 ]"
1 136 PHE 0.002 0.002 5 0 "[ . 1 . 2 ]"
1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 146 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 151 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 153 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 158 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 TRP HH2 1 128 MET ME 5.500 . 5.500 4.777 4.481 4.936 . 0 0 "[ . 1 . 2 ]" 2
2 1 5 TRP HH2 1 131 LEU MD1 2.500 . 3.000 2.773 2.299 2.838 . 0 0 "[ . 1 . 2 ]" 2
3 1 13 ILE QG 1 103 PHE QD 4.500 . 4.500 4.345 3.994 4.466 . 0 0 "[ . 1 . 2 ]" 2
4 1 24 PRO QB 1 28 HIS HD2 4.500 . 4.500 3.337 3.157 3.541 . 0 0 "[ . 1 . 2 ]" 2
5 1 40 VAL HA 1 40 VAL HB 2.500 . 2.500 2.123 2.014 2.288 . 0 0 "[ . 1 . 2 ]" 2
6 1 40 VAL HB 1 106 PHE QD 5.500 . 5.500 5.062 4.876 5.336 . 0 0 "[ . 1 . 2 ]" 2
7 1 40 VAL HB 1 106 PHE QE 4.500 . 4.500 4.465 4.319 4.506 0.006 2 0 "[ . 1 . 2 ]" 2
8 1 42 GLY QA 1 62 LEU H 2.500 . 2.500 2.091 1.963 2.143 . 0 0 "[ . 1 . 2 ]" 2
9 1 39 MET ME 1 49 PHE QE 2.500 . 2.500 2.468 2.373 2.502 0.002 12 0 "[ . 1 . 2 ]" 2
10 1 41 VAL MG1 1 49 PHE QE 2.500 . 3.000 2.013 1.827 2.366 . 0 0 "[ . 1 . 2 ]" 2
11 1 41 VAL MG2 1 49 PHE QE 2.500 . 3.000 2.017 1.951 2.393 . 0 0 "[ . 1 . 2 ]" 2
12 1 49 PHE QE 1 54 LEU HG 4.500 . 4.500 4.443 4.304 4.504 0.004 13 0 "[ . 1 . 2 ]" 2
13 1 49 PHE QD 1 54 LEU QB 4.500 . 4.500 3.925 3.695 4.196 . 0 0 "[ . 1 . 2 ]" 2
14 1 60 VAL MG1 1 85 TYR QD 5.500 . 5.500 3.874 3.377 4.085 . 0 0 "[ . 1 . 2 ]" 2
15 1 60 VAL MG1 1 85 TYR QE 3.500 . 3.500 3.271 2.603 3.491 . 0 0 "[ . 1 . 2 ]" 2
16 1 62 LEU MD1 1 106 PHE QE 3.500 . 3.500 3.372 3.265 3.478 . 0 0 "[ . 1 . 2 ]" 2
17 1 62 LEU MD1 1 106 PHE HZ 5.500 . 5.500 3.266 2.842 3.564 . 0 0 "[ . 1 . 2 ]" 2
18 1 79 VAL MG1 1 106 PHE QD 3.500 . 3.500 2.432 2.141 2.753 . 0 0 "[ . 1 . 2 ]" 2
19 1 79 VAL MG1 1 106 PHE QE 2.500 . 2.500 2.191 2.004 2.503 0.003 6 0 "[ . 1 . 2 ]" 2
20 1 79 VAL MG1 1 106 PHE HZ 3.500 . 3.500 3.021 2.784 3.269 . 0 0 "[ . 1 . 2 ]" 2
21 1 82 VAL MG1 1 106 PHE QD 5.500 . 5.500 3.198 2.739 3.493 . 0 0 "[ . 1 . 2 ]" 2
22 1 82 VAL MG1 1 106 PHE QE 3.500 . 3.500 2.691 2.122 2.927 . 0 0 "[ . 1 . 2 ]" 2
23 1 82 VAL MG1 1 106 PHE HZ 2.500 . 2.500 2.468 2.141 2.504 0.004 13 0 "[ . 1 . 2 ]" 2
24 1 83 PHE QR 1 94 LEU QD 2.500 . 2.500 2.496 2.477 2.504 0.004 22 0 "[ . 1 . 2 ]" 2
25 1 1 THR MG 1 83 PHE QR 5.500 . 5.500 3.794 3.210 4.376 . 0 0 "[ . 1 . 2 ]" 2
26 1 100 ALA HA 1 103 PHE QD 2.500 . 2.500 1.811 1.801 1.819 . 0 0 "[ . 1 . 2 ]" 2
27 1 42 GLY QA 1 102 ILE MD 3.500 . 3.500 1.939 1.794 2.091 . 0 0 "[ . 1 . 2 ]" 2
28 1 62 LEU MD2 1 105 ALA MB 3.500 . 3.500 2.522 2.291 2.728 . 0 0 "[ . 1 . 2 ]" 2
29 1 113 LEU HG 1 158 TRP HA 3.500 . 3.500 3.037 2.717 3.343 . 0 0 "[ . 1 . 2 ]" 2
30 1 3 PHE QD 1 110 VAL QG 4.500 . 4.500 2.124 2.065 2.179 . 0 0 "[ . 1 . 2 ]" 2
31 1 133 TRP HA 1 136 PHE QD 2.500 . 2.500 2.306 2.044 2.502 0.002 5 0 "[ . 1 . 2 ]" 2
32 1 146 ASP QB 1 153 HIS HE1 5.500 . 5.500 3.215 2.988 3.393 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 134
_Distance_constraint_stats_list.Viol_count 282
_Distance_constraint_stats_list.Viol_total 24.687
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_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 1 THR 0.014 0.005 22 0 "[ . 1 . 2 ]"
1 2 ALA 0.000 0.000 7 0 "[ . 1 . 2 ]"
1 3 PHE 0.009 0.003 19 0 "[ . 1 . 2 ]"
1 4 LEU 0.035 0.009 18 0 "[ . 1 . 2 ]"
1 5 TRP 0.163 0.013 16 0 "[ . 1 . 2 ]"
1 7 GLN 0.114 0.007 14 0 "[ . 1 . 2 ]"
1 8 ASP 0.249 0.020 15 0 "[ . 1 . 2 ]"
1 9 ARG 0.008 0.003 19 0 "[ . 1 . 2 ]"
1 11 GLY 0.054 0.004 13 0 "[ . 1 . 2 ]"
1 12 LEU 0.249 0.020 15 0 "[ . 1 . 2 ]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 THR 0.003 0.002 8 0 "[ . 1 . 2 ]"
1 37 LYS 0.003 0.002 8 0 "[ . 1 . 2 ]"
1 38 ILE 0.007 0.004 12 0 "[ . 1 . 2 ]"
1 39 MET 0.006 0.004 13 0 "[ . 1 . 2 ]"
1 40 VAL 0.022 0.005 3 0 "[ . 1 . 2 ]"
1 41 VAL 0.006 0.004 7 0 "[ . 1 . 2 ]"
1 42 GLY 0.017 0.004 17 0 "[ . 1 . 2 ]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 THR 0.006 0.004 13 0 "[ . 1 . 2 ]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 LEU 0.006 0.004 7 0 "[ . 1 . 2 ]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 ASP 0.000 0.000 2 0 "[ . 1 . 2 ]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 VAL 0.008 0.004 8 0 "[ . 1 . 2 ]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 ALA 0.008 0.004 8 0 "[ . 1 . 2 ]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 HIS 0.003 0.002 12 0 "[ . 1 . 2 ]"
1 92 GLN 0.003 0.002 12 0 "[ . 1 . 2 ]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 VAL 0.008 0.004 12 0 "[ . 1 . 2 ]"
1 96 ILE 0.035 0.009 18 0 "[ . 1 . 2 ]"
1 97 ALA 0.021 0.005 3 0 "[ . 1 . 2 ]"
1 98 GLY 0.017 0.004 17 0 "[ . 1 . 2 ]"
1 99 GLY 0.004 0.002 20 0 "[ . 1 . 2 ]"
1 100 ALA 0.003 0.002 10 0 "[ . 1 . 2 ]"
1 101 GLN 0.037 0.005 17 0 "[ . 1 . 2 ]"
1 102 ILE 0.004 0.002 20 0 "[ . 1 . 2 ]"
1 103 PHE 0.105 0.008 7 0 "[ . 1 . 2 ]"
1 104 THR 0.003 0.002 10 0 "[ . 1 . 2 ]"
1 105 ALA 0.037 0.005 17 0 "[ . 1 . 2 ]"
1 106 PHE 0.002 0.002 5 0 "[ . 1 . 2 ]"
1 107 LYS 0.132 0.008 7 0 "[ . 1 . 2 ]"
1 109 ASP 0.002 0.002 5 0 "[ . 1 . 2 ]"
1 110 VAL 0.027 0.005 15 0 "[ . 1 . 2 ]"
1 112 THR 0.023 0.005 22 0 "[ . 1 . 2 ]"
1 113 LEU 0.021 0.004 5 0 "[ . 1 . 2 ]"
1 114 LEU 0.073 0.013 16 0 "[ . 1 . 2 ]"
1 115 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 116 THR 0.204 0.010 19 0 "[ . 1 . 2 ]"
1 117 ARG 0.097 0.009 2 0 "[ . 1 . 2 ]"
1 118 LEU 0.008 0.003 19 0 "[ . 1 . 2 ]"
1 119 ALA 0.008 0.003 2 0 "[ . 1 . 2 ]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 128 MET 0.054 0.004 13 0 "[ . 1 . 2 ]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 132 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 133 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 137 THR 0.026 0.004 10 0 "[ . 1 . 2 ]"
1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 142 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 144 VAL 0.040 0.006 13 0 "[ . 1 . 2 ]"
1 148 ASN 0.020 0.010 13 0 "[ . 1 . 2 ]"
1 149 PRO 0.014 0.006 13 0 "[ . 1 . 2 ]"
1 150 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 151 LEU 0.020 0.010 13 0 "[ . 1 . 2 ]"
1 152 THR 0.021 0.006 13 0 "[ . 1 . 2 ]"
1 153 HIS 0.040 0.006 13 0 "[ . 1 . 2 ]"
1 154 THR 0.097 0.009 2 0 "[ . 1 . 2 ]"
1 155 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 156 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 157 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 158 TRP 0.021 0.004 5 0 "[ . 1 . 2 ]"
1 159 GLN 0.026 0.004 10 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PHE H 1 112 THR O 2.300 . 2.500 2.330 1.826 2.503 0.003 19 0 "[ . 1 . 2 ]" 3
2 1 3 PHE N 1 112 THR O 3.300 2.600 3.500 3.203 2.772 3.462 . 0 0 "[ . 1 . 2 ]" 3
3 1 4 LEU H 1 96 ILE O 2.300 . 2.500 2.489 2.365 2.509 0.009 18 0 "[ . 1 . 2 ]" 3
4 1 4 LEU N 1 96 ILE O 3.300 2.600 3.500 3.223 3.082 3.351 . 0 0 "[ . 1 . 2 ]" 3
5 1 5 TRP H 1 114 LEU O 2.300 . 2.500 2.487 2.408 2.513 0.013 16 0 "[ . 1 . 2 ]" 3
6 1 5 TRP N 1 114 LEU O 3.300 2.600 3.500 3.387 3.318 3.423 . 0 0 "[ . 1 . 2 ]" 3
7 1 7 GLN H 1 116 THR O 2.300 . 2.500 2.505 2.502 2.507 0.007 14 0 "[ . 1 . 2 ]" 3
8 1 7 GLN N 1 116 THR O 3.300 2.600 3.500 3.307 3.230 3.366 . 0 0 "[ . 1 . 2 ]" 3
9 1 38 ILE H 1 93 GLU O 2.300 . 2.500 2.058 1.766 2.458 . 0 0 "[ . 1 . 2 ]" 3
10 1 38 ILE N 1 93 GLU O 3.300 2.600 3.500 2.995 2.711 3.359 . 0 0 "[ . 1 . 2 ]" 3
11 1 39 MET H 1 58 THR O 2.300 . 2.500 2.300 1.999 2.504 0.004 13 0 "[ . 1 . 2 ]" 3
12 1 39 MET N 1 58 THR O 3.300 2.600 3.500 3.003 2.762 3.370 . 0 0 "[ . 1 . 2 ]" 3
13 1 40 VAL H 1 95 VAL O 2.300 . 2.500 2.370 2.139 2.501 0.001 15 0 "[ . 1 . 2 ]" 3
14 1 40 VAL N 1 95 VAL O 3.300 2.600 3.500 3.260 3.066 3.395 . 0 0 "[ . 1 . 2 ]" 3
15 1 41 VAL H 1 60 VAL O 2.300 . 2.500 2.171 1.929 2.404 . 0 0 "[ . 1 . 2 ]" 3
16 1 41 VAL N 1 60 VAL O 3.300 2.600 3.500 3.119 2.908 3.285 . 0 0 "[ . 1 . 2 ]" 3
17 1 42 GLY H 1 98 GLY O 2.300 . 2.500 2.479 2.307 2.504 0.004 17 0 "[ . 1 . 2 ]" 3
18 1 42 GLY N 1 98 GLY O 3.300 2.600 3.500 3.020 2.815 3.201 . 0 0 "[ . 1 . 2 ]" 3
19 1 39 MET O 1 60 VAL H 2.300 . 2.500 2.102 1.835 2.269 . 0 0 "[ . 1 . 2 ]" 3
20 1 39 MET O 1 60 VAL N 3.300 2.600 3.500 3.018 2.712 3.207 . 0 0 "[ . 1 . 2 ]" 3
21 1 61 VAL H 1 74 VAL O 2.300 . 2.500 2.427 2.222 2.499 . 0 0 "[ . 1 . 2 ]" 3
22 1 61 VAL N 1 74 VAL O 3.300 2.600 3.500 3.282 3.004 3.426 . 0 0 "[ . 1 . 2 ]" 3
23 1 41 VAL O 1 62 LEU H 2.300 . 2.500 2.329 2.059 2.504 0.004 7 0 "[ . 1 . 2 ]" 3
24 1 41 VAL O 1 62 LEU N 3.300 2.600 3.500 3.239 2.882 3.453 . 0 0 "[ . 1 . 2 ]" 3
25 1 63 THR H 1 76 VAL O 2.300 . 2.500 2.476 2.462 2.489 . 0 0 "[ . 1 . 2 ]" 3
26 1 63 THR N 1 76 VAL O 3.300 2.600 3.500 3.432 3.376 3.461 . 0 0 "[ . 1 . 2 ]" 3
27 1 59 ASN O 1 74 VAL H 2.300 . 2.500 2.167 1.869 2.491 . 0 0 "[ . 1 . 2 ]" 3
28 1 59 ASN O 1 74 VAL N 3.300 2.600 3.500 2.926 2.672 3.246 . 0 0 "[ . 1 . 2 ]" 3
29 1 61 VAL O 1 76 VAL H 2.300 . 2.500 2.275 2.129 2.449 . 0 0 "[ . 1 . 2 ]" 3
30 1 61 VAL O 1 76 VAL N 3.300 2.600 3.500 3.049 2.911 3.388 . 0 0 "[ . 1 . 2 ]" 3
31 1 38 ILE O 1 95 VAL H 2.300 . 2.500 2.477 2.405 2.504 0.004 12 0 "[ . 1 . 2 ]" 3
32 1 38 ILE O 1 95 VAL N 3.300 2.600 3.500 3.357 3.223 3.459 . 0 0 "[ . 1 . 2 ]" 3
33 1 2 ALA O 1 96 ILE H 2.300 . 2.500 2.061 1.701 2.500 0.000 7 0 "[ . 1 . 2 ]" 3
34 1 2 ALA O 1 96 ILE N 3.300 2.600 3.500 2.986 2.667 3.341 . 0 0 "[ . 1 . 2 ]" 3
35 1 40 VAL O 1 97 ALA H 2.300 . 2.500 2.443 2.328 2.505 0.005 3 0 "[ . 1 . 2 ]" 3
36 1 40 VAL O 1 97 ALA N 3.300 2.600 3.500 3.405 3.291 3.482 . 0 0 "[ . 1 . 2 ]" 3
37 1 1 THR O 1 112 THR H 2.300 . 2.500 2.483 2.414 2.505 0.005 22 0 "[ . 1 . 2 ]" 3
38 1 1 THR O 1 112 THR N 3.300 2.600 3.500 3.452 3.387 3.479 . 0 0 "[ . 1 . 2 ]" 3
39 1 113 LEU H 1 158 TRP O 2.300 . 2.500 2.460 2.236 2.504 0.004 13 0 "[ . 1 . 2 ]" 3
40 1 113 LEU N 1 158 TRP O 3.300 2.600 3.500 3.353 3.193 3.444 . 0 0 "[ . 1 . 2 ]" 3
41 1 3 PHE O 1 114 LEU H 2.300 . 2.500 2.114 1.810 2.386 . 0 0 "[ . 1 . 2 ]" 3
42 1 3 PHE O 1 114 LEU N 3.300 2.600 3.500 3.024 2.732 3.276 . 0 0 "[ . 1 . 2 ]" 3
43 1 115 VAL H 1 156 GLU O 2.300 . 2.500 2.471 2.445 2.498 . 0 0 "[ . 1 . 2 ]" 3
44 1 115 VAL N 1 156 GLU O 3.300 2.600 3.500 3.368 3.312 3.408 . 0 0 "[ . 1 . 2 ]" 3
45 1 5 TRP O 1 116 THR H 2.300 . 2.500 2.501 2.450 2.510 0.010 19 0 "[ . 1 . 2 ]" 3
46 1 5 TRP O 1 116 THR N 3.300 2.600 3.500 3.435 3.370 3.482 . 0 0 "[ . 1 . 2 ]" 3
47 1 117 ARG H 1 154 THR O 2.300 . 2.500 2.504 2.499 2.509 0.009 2 0 "[ . 1 . 2 ]" 3
48 1 117 ARG N 1 154 THR O 3.300 2.600 3.500 3.395 3.362 3.429 . 0 0 "[ . 1 . 2 ]" 3
49 1 119 ALA H 1 152 THR O 2.300 . 2.500 1.680 1.627 2.019 . 0 0 "[ . 1 . 2 ]" 3
50 1 119 ALA N 1 152 THR O 3.300 2.600 3.500 2.648 2.597 2.965 0.003 2 0 "[ . 1 . 2 ]" 3
51 1 137 THR H 1 159 GLN O 2.300 . 2.500 2.476 2.334 2.504 0.004 10 0 "[ . 1 . 2 ]" 3
52 1 137 THR N 1 159 GLN O 3.300 2.600 3.500 3.275 3.131 3.420 . 0 0 "[ . 1 . 2 ]" 3
53 1 139 VAL H 1 157 VAL O 2.300 . 2.500 2.417 2.189 2.492 . 0 0 "[ . 1 . 2 ]" 3
54 1 139 VAL N 1 157 VAL O 3.300 2.600 3.500 3.304 3.115 3.432 . 0 0 "[ . 1 . 2 ]" 3
55 1 142 ARG H 1 155 TYR O 2.300 . 2.500 2.262 2.068 2.463 . 0 0 "[ . 1 . 2 ]" 3
56 1 142 ARG N 1 155 TYR O 3.300 2.600 3.500 3.175 2.991 3.394 . 0 0 "[ . 1 . 2 ]" 3
57 1 144 VAL H 1 153 HIS O 2.300 . 2.500 2.461 2.354 2.504 0.004 18 0 "[ . 1 . 2 ]" 3
58 1 144 VAL N 1 153 HIS O 3.300 2.600 3.500 3.350 3.278 3.432 . 0 0 "[ . 1 . 2 ]" 3
59 1 144 VAL O 1 153 HIS H 2.300 . 2.500 2.500 2.492 2.506 0.006 13 0 "[ . 1 . 2 ]" 3
60 1 144 VAL O 1 153 HIS N 3.300 2.600 3.500 3.471 3.458 3.485 . 0 0 "[ . 1 . 2 ]" 3
61 1 117 ARG O 1 154 THR H 2.300 . 2.500 2.285 2.186 2.373 . 0 0 "[ . 1 . 2 ]" 3
62 1 117 ARG O 1 154 THR N 3.300 2.600 3.500 3.129 3.058 3.209 . 0 0 "[ . 1 . 2 ]" 3
63 1 142 ARG O 1 155 TYR H 2.300 . 2.500 2.002 1.826 2.201 . 0 0 "[ . 1 . 2 ]" 3
64 1 142 ARG O 1 155 TYR N 3.300 2.600 3.500 2.968 2.789 3.137 . 0 0 "[ . 1 . 2 ]" 3
65 1 115 VAL O 1 156 GLU H 2.300 . 2.500 2.275 2.191 2.416 . 0 0 "[ . 1 . 2 ]" 3
66 1 115 VAL O 1 156 GLU N 3.300 2.600 3.500 3.140 3.022 3.244 . 0 0 "[ . 1 . 2 ]" 3
67 1 140 SER O 1 157 VAL H 2.300 . 2.500 2.355 2.124 2.494 . 0 0 "[ . 1 . 2 ]" 3
68 1 140 SER O 1 157 VAL N 3.300 2.600 3.500 3.197 3.013 3.402 . 0 0 "[ . 1 . 2 ]" 3
69 1 113 LEU O 1 158 TRP H 2.300 . 2.500 2.398 2.195 2.504 0.004 5 0 "[ . 1 . 2 ]" 3
70 1 113 LEU O 1 158 TRP N 3.300 2.600 3.500 3.361 3.170 3.481 . 0 0 "[ . 1 . 2 ]" 3
71 1 137 THR O 1 159 GLN H 2.300 . 2.500 2.163 1.951 2.494 . 0 0 "[ . 1 . 2 ]" 3
72 1 137 THR O 1 159 GLN N 3.300 2.600 3.500 3.040 2.830 3.360 . 0 0 "[ . 1 . 2 ]" 3
73 1 23 LEU O 1 27 LEU H 2.300 . 2.500 2.213 1.939 2.385 . 0 0 "[ . 1 . 2 ]" 3
74 1 23 LEU O 1 27 LEU N 3.300 2.600 3.500 3.115 2.876 3.256 . 0 0 "[ . 1 . 2 ]" 3
75 1 25 ASP O 1 29 TYR H 2.300 . 2.500 2.255 2.183 2.415 . 0 0 "[ . 1 . 2 ]" 3
76 1 25 ASP O 1 29 TYR N 3.300 2.600 3.500 3.088 3.017 3.226 . 0 0 "[ . 1 . 2 ]" 3
77 1 29 TYR O 1 33 GLN H 2.300 . 2.500 2.154 2.028 2.490 . 0 0 "[ . 1 . 2 ]" 3
78 1 29 TYR O 1 33 GLN N 3.300 2.600 3.500 2.959 2.863 3.315 . 0 0 "[ . 1 . 2 ]" 3
79 1 42 GLY O 1 46 TYR H 2.300 . 2.500 2.365 2.142 2.499 . 0 0 "[ . 1 . 2 ]" 3
80 1 42 GLY O 1 46 TYR N 3.300 2.600 3.500 3.130 2.901 3.268 . 0 0 "[ . 1 . 2 ]" 3
81 1 43 ARG O 1 47 GLU H 2.300 . 2.500 2.449 2.313 2.500 . 0 0 "[ . 1 . 2 ]" 3
82 1 43 ARG O 1 47 GLU N 3.300 2.600 3.500 3.345 3.249 3.445 . 0 0 "[ . 1 . 2 ]" 3
83 1 78 ASP O 1 82 VAL H 2.300 . 2.500 2.475 2.459 2.500 0.000 2 0 "[ . 1 . 2 ]" 3
84 1 78 ASP O 1 82 VAL N 3.300 2.600 3.500 3.361 3.337 3.385 . 0 0 "[ . 1 . 2 ]" 3
85 1 79 VAL O 1 83 PHE H 2.300 . 2.500 2.329 2.122 2.494 . 0 0 "[ . 1 . 2 ]" 3
86 1 79 VAL O 1 83 PHE N 3.300 2.600 3.500 3.259 3.096 3.380 . 0 0 "[ . 1 . 2 ]" 3
87 1 80 ALA O 1 84 ALA H 2.300 . 2.500 2.067 1.880 2.227 . 0 0 "[ . 1 . 2 ]" 3
88 1 80 ALA O 1 84 ALA N 3.300 2.600 3.500 2.906 2.740 3.076 . 0 0 "[ . 1 . 2 ]" 3
89 1 81 ALA O 1 85 TYR H 2.300 . 2.500 2.342 2.232 2.463 . 0 0 "[ . 1 . 2 ]" 3
90 1 81 ALA O 1 85 TYR N 3.300 2.600 3.500 3.218 3.119 3.336 . 0 0 "[ . 1 . 2 ]" 3
91 1 82 VAL O 1 86 ALA H 2.300 . 2.500 2.479 2.353 2.504 0.004 8 0 "[ . 1 . 2 ]" 3
92 1 82 VAL O 1 86 ALA N 3.300 2.600 3.500 3.365 3.252 3.446 . 0 0 "[ . 1 . 2 ]" 3
93 1 83 PHE O 1 87 LYS H 2.300 . 2.500 2.252 2.000 2.407 . 0 0 "[ . 1 . 2 ]" 3
94 1 83 PHE O 1 87 LYS N 3.300 2.600 3.500 3.077 2.880 3.227 . 0 0 "[ . 1 . 2 ]" 3
95 1 99 GLY O 1 102 ILE H 2.300 . 2.500 2.485 2.394 2.502 0.002 20 0 "[ . 1 . 2 ]" 3
96 1 99 GLY O 1 102 ILE N 3.300 2.600 3.500 3.186 3.084 3.262 . 0 0 "[ . 1 . 2 ]" 3
97 1 100 ALA O 1 104 THR H 2.300 . 2.500 2.379 2.146 2.502 0.002 10 0 "[ . 1 . 2 ]" 3
98 1 100 ALA O 1 104 THR N 3.300 2.600 3.500 3.351 3.115 3.480 . 0 0 "[ . 1 . 2 ]" 3
99 1 101 GLN O 1 105 ALA H 2.300 . 2.500 2.474 2.274 2.505 0.005 17 0 "[ . 1 . 2 ]" 3
100 1 101 GLN O 1 105 ALA N 3.300 2.600 3.500 3.204 3.092 3.292 . 0 0 "[ . 1 . 2 ]" 3
101 1 102 ILE O 1 106 PHE H 2.300 . 2.500 2.330 2.174 2.487 . 0 0 "[ . 1 . 2 ]" 3
102 1 102 ILE O 1 106 PHE N 3.300 2.600 3.500 3.160 3.031 3.308 . 0 0 "[ . 1 . 2 ]" 3
103 1 103 PHE O 1 107 LYS H 2.300 . 2.500 2.505 2.499 2.508 0.008 7 0 "[ . 1 . 2 ]" 3
104 1 103 PHE O 1 107 LYS N 3.300 2.600 3.500 2.825 2.692 2.946 . 0 0 "[ . 1 . 2 ]" 3
105 1 8 ASP H 1 12 LEU O 2.300 . 2.800 2.363 1.920 2.540 . 0 0 "[ . 1 . 2 ]" 3
106 1 8 ASP N 1 12 LEU O 3.300 2.600 3.800 3.166 2.789 3.316 . 0 0 "[ . 1 . 2 ]" 3
107 1 9 ARG H 1 118 LEU O 2.300 . 2.800 2.797 2.788 2.803 0.003 19 0 "[ . 1 . 2 ]" 3
108 1 9 ARG N 1 118 LEU O 3.300 2.600 3.800 3.742 3.728 3.755 . 0 0 "[ . 1 . 2 ]" 3
109 1 8 ASP O 1 12 LEU H 2.300 . 2.800 2.811 2.805 2.820 0.020 15 0 "[ . 1 . 2 ]" 3
110 1 8 ASP O 1 12 LEU N 3.300 2.600 3.800 3.711 3.697 3.736 . 0 0 "[ . 1 . 2 ]" 3
111 1 13 ILE H 1 126 THR O 2.300 . 2.800 2.684 2.336 2.789 . 0 0 "[ . 1 . 2 ]" 3
112 1 13 ILE N 1 126 THR O 3.300 2.600 3.800 3.504 3.277 3.630 . 0 0 "[ . 1 . 2 ]" 3
113 1 34 THR O 1 37 LYS H 2.300 . 2.800 2.734 2.499 2.802 0.002 8 0 "[ . 1 . 2 ]" 3
114 1 34 THR O 1 37 LYS N 3.300 2.600 3.800 3.389 3.217 3.627 . 0 0 "[ . 1 . 2 ]" 3
115 1 89 HIS O 1 92 GLN H 2.300 . 2.800 2.788 2.707 2.802 0.002 12 0 "[ . 1 . 2 ]" 3
116 1 89 HIS O 1 92 GLN N 3.300 2.600 3.800 3.646 3.508 3.706 . 0 0 "[ . 1 . 2 ]" 3
117 1 106 PHE O 1 109 ASP H 2.300 . 2.800 2.501 2.214 2.802 0.002 5 0 "[ . 1 . 2 ]" 3
118 1 106 PHE O 1 109 ASP N 3.300 2.600 3.800 3.233 3.041 3.437 . 0 0 "[ . 1 . 2 ]" 3
119 1 107 LYS O 1 110 VAL H 2.300 . 2.800 2.711 2.460 2.805 0.005 15 0 "[ . 1 . 2 ]" 3
120 1 107 LYS O 1 110 VAL N 3.300 2.600 3.800 3.544 3.366 3.649 . 0 0 "[ . 1 . 2 ]" 3
121 1 120 GLY H 1 150 ALA O 2.300 . 2.800 2.163 2.023 2.252 . 0 0 "[ . 1 . 2 ]" 3
122 1 120 GLY N 1 150 ALA O 3.300 2.600 3.800 2.845 2.685 2.946 . 0 0 "[ . 1 . 2 ]" 3
123 1 11 GLY O 1 128 MET H 2.300 . 2.800 2.802 2.800 2.804 0.004 13 0 "[ . 1 . 2 ]" 3
124 1 11 GLY O 1 128 MET N 3.300 2.600 3.800 3.662 3.609 3.739 . 0 0 "[ . 1 . 2 ]" 3
125 1 131 LEU O 1 133 TRP H 2.300 . 2.800 2.363 2.197 2.538 . 0 0 "[ . 1 . 2 ]" 3
126 1 131 LEU O 1 133 TRP N 3.300 2.600 3.800 3.004 2.854 3.164 . 0 0 "[ . 1 . 2 ]" 3
127 1 132 ASN O 1 135 ASP H 2.300 . 2.800 2.390 2.237 2.591 . 0 0 "[ . 1 . 2 ]" 3
128 1 132 ASN O 1 135 ASP N 3.300 2.600 3.800 3.276 3.158 3.446 . 0 0 "[ . 1 . 2 ]" 3
129 1 148 ASN O 1 151 LEU H 2.300 . 2.800 2.176 1.938 2.810 0.010 13 0 "[ . 1 . 2 ]" 3
130 1 148 ASN O 1 151 LEU N 3.300 2.600 3.800 2.901 2.680 3.580 . 0 0 "[ . 1 . 2 ]" 3
131 1 149 PRO O 1 152 THR H 2.300 . 2.800 2.327 2.040 2.806 0.006 13 0 "[ . 1 . 2 ]" 3
132 1 149 PRO O 1 152 THR N 3.300 2.600 3.800 3.143 2.914 3.697 . 0 0 "[ . 1 . 2 ]" 3
133 1 30 PHE O 1 34 THR HG1 2.300 . 2.500 2.025 1.685 2.496 . 0 0 "[ . 1 . 2 ]" 3
134 1 30 PHE O 1 34 THR OG1 3.300 2.600 3.500 2.648 2.615 2.685 . 0 0 "[ . 1 . 2 ]" 3
stop_
save_
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