NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376778 |
1fpw   |
4798 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fpw
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 1102
_Distance_constraint_stats_list.Viol_count 969
_Distance_constraint_stats_list.Viol_total 1557.841
_Distance_constraint_stats_list.Viol_max 0.808
_Distance_constraint_stats_list.Viol_rms 0.0241
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0804
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 5.175 0.523 13 1 "[ . 1 + . 2]"
1 9 SER 0.011 0.011 14 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.488 0.228 6 0 "[ . 1 . 2]"
1 12 ASP 1.030 0.523 13 1 "[ . 1 + . 2]"
1 13 LEU 0.011 0.011 14 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.050 0.050 7 0 "[ . 1 . 2]"
1 17 LYS 0.388 0.055 9 0 "[ . 1 . 2]"
1 18 GLN 0.388 0.055 9 0 "[ . 1 . 2]"
1 19 SER 0.050 0.050 7 0 "[ . 1 . 2]"
1 20 THR 0.725 0.165 13 0 "[ . 1 . 2]"
1 21 TYR 0.776 0.165 13 0 "[ . 1 . 2]"
1 22 PHE 2.994 0.478 13 0 "[ . 1 . 2]"
1 23 ASP 3.578 0.478 13 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.662 0.198 11 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 2.357 0.272 8 0 "[ . 1 . 2]"
1 29 GLN 2.357 0.272 8 0 "[ . 1 . 2]"
1 30 TRP 0.508 0.178 1 0 "[ . 1 . 2]"
1 31 HIS 0.331 0.318 6 0 "[ . 1 . 2]"
1 32 LYS 1.266 0.125 3 0 "[ . 1 . 2]"
1 33 GLY 2.019 0.142 5 0 "[ . 1 . 2]"
1 34 PHE 3.072 0.142 5 0 "[ . 1 . 2]"
1 35 LEU 1.364 0.125 3 0 "[ . 1 . 2]"
1 36 ARG 0.654 0.054 9 0 "[ . 1 . 2]"
1 37 ASP 1.569 0.092 4 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.098 0.053 19 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 0.295 0.087 15 0 "[ . 1 . 2]"
1 43 LEU 2.021 0.168 12 0 "[ . 1 . 2]"
1 44 ALA 0.041 0.029 5 0 "[ . 1 . 2]"
1 45 ARG 0.259 0.093 20 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 1.123 0.068 7 0 "[ . 1 . 2]"
1 48 PHE 8.731 0.295 14 0 "[ . 1 . 2]"
1 49 VAL 0.184 0.061 1 0 "[ . 1 . 2]"
1 50 LYS 0.832 0.060 10 0 "[ . 1 . 2]"
1 51 ILE 0.832 0.060 10 0 "[ . 1 . 2]"
1 52 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 0.037 0.013 11 0 "[ . 1 . 2]"
1 56 PHE 0.037 0.013 11 0 "[ . 1 . 2]"
1 57 PRO 0.003 0.003 16 0 "[ . 1 . 2]"
1 58 PHE 0.126 0.058 16 0 "[ . 1 . 2]"
1 59 GLY 0.129 0.058 16 0 "[ . 1 . 2]"
1 60 SER 0.371 0.092 9 0 "[ . 1 . 2]"
1 61 PRO 0.183 0.091 3 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.085 0.085 1 0 "[ . 1 . 2]"
1 65 ALA 1.398 0.148 15 0 "[ . 1 . 2]"
1 66 ASN 2.315 0.171 3 0 "[ . 1 . 2]"
1 67 HIS 7.852 0.808 2 2 "[ + . 1 - 2]"
1 68 LEU 1.811 0.710 10 1 "[ . + . 2]"
1 69 PHE 1.602 0.095 15 0 "[ . 1 . 2]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 1.794 0.319 10 0 "[ . 1 . 2]"
1 72 PHE 0.414 0.054 6 0 "[ . 1 . 2]"
1 73 ASP 0.260 0.260 6 0 "[ . 1 . 2]"
1 74 LYS 0.403 0.260 6 0 "[ . 1 . 2]"
1 75 ASP 0.143 0.055 18 0 "[ . 1 . 2]"
1 76 ASN 0.056 0.027 13 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.056 0.027 13 0 "[ . 1 . 2]"
1 79 PHE 0.171 0.063 13 0 "[ . 1 . 2]"
1 80 ILE 0.344 0.087 15 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PHE 0.138 0.137 9 0 "[ . 1 . 2]"
1 83 GLU 3.697 0.463 9 0 "[ . 1 . 2]"
1 84 GLU 0.258 0.054 6 0 "[ . 1 . 2]"
1 85 PHE 1.830 0.350 13 0 "[ . 1 . 2]"
1 86 ILE 2.219 0.178 1 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 2.289 0.350 13 0 "[ . 1 . 2]"
1 89 LEU 2.094 0.295 14 0 "[ . 1 . 2]"
1 90 SER 0.144 0.073 5 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 SER 0.318 0.073 5 0 "[ . 1 . 2]"
1 94 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 TRP 0.223 0.124 13 0 "[ . 1 . 2]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PHE 0.018 0.013 7 0 "[ . 1 . 2]"
1 106 GLU 0.568 0.060 12 0 "[ . 1 . 2]"
1 107 LEU 6.729 0.808 2 3 "[ + . * - 2]"
1 108 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ASP 2.783 0.207 6 0 "[ . 1 . 2]"
1 110 LEU 5.004 0.207 6 0 "[ . 1 . 2]"
1 111 ASN 1.801 0.348 5 0 "[ . 1 . 2]"
1 112 HIS 2.517 0.348 5 0 "[ . 1 . 2]"
1 113 ASP 3.049 0.336 20 0 "[ . 1 . 2]"
1 114 GLY 2.478 0.336 20 0 "[ . 1 . 2]"
1 115 TYR 5.123 0.290 5 0 "[ . 1 . 2]"
1 116 ILE 1.055 0.175 8 0 "[ . 1 . 2]"
1 117 THR 0.631 0.254 16 0 "[ . 1 . 2]"
1 118 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.082 0.082 18 0 "[ . 1 . 2]"
1 121 MET 0.168 0.081 3 0 "[ . 1 . 2]"
1 122 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 THR 0.016 0.016 7 0 "[ . 1 . 2]"
1 124 ILE 0.184 0.081 3 0 "[ . 1 . 2]"
1 125 VAL 0.124 0.045 11 0 "[ . 1 . 2]"
1 126 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 SER 0.719 0.109 11 0 "[ . 1 . 2]"
1 128 VAL 1.428 0.181 7 0 "[ . 1 . 2]"
1 129 TYR 0.181 0.181 7 0 "[ . 1 . 2]"
1 130 LYS 0.605 0.092 9 0 "[ . 1 . 2]"
1 131 MET 0.477 0.118 3 0 "[ . 1 . 2]"
1 132 MET 0.173 0.118 3 0 "[ . 1 . 2]"
1 133 GLY 0.028 0.028 14 0 "[ . 1 . 2]"
1 134 SER 0.277 0.221 7 0 "[ . 1 . 2]"
1 135 MET 0.434 0.221 7 0 "[ . 1 . 2]"
1 136 VAL 0.157 0.060 16 0 "[ . 1 . 2]"
1 137 THR 0.338 0.210 9 0 "[ . 1 . 2]"
1 138 LEU 0.338 0.210 9 0 "[ . 1 . 2]"
1 139 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 GLU 0.062 0.062 9 0 "[ . 1 . 2]"
1 147 MET 0.334 0.063 9 0 "[ . 1 . 2]"
1 148 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 VAL 0.349 0.280 9 0 "[ . 1 . 2]"
1 150 LYS 0.620 0.280 9 0 "[ . 1 . 2]"
1 151 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 PHE 0.588 0.067 12 0 "[ . 1 . 2]"
1 154 LYS 0.523 0.061 15 0 "[ . 1 . 2]"
1 155 LEU 0.523 0.061 15 0 "[ . 1 . 2]"
1 156 MET 0.169 0.169 16 0 "[ . 1 . 2]"
1 157 ASP 1.241 0.359 6 0 "[ . 1 . 2]"
1 158 LYS 3.383 0.406 14 0 "[ . 1 . 2]"
1 159 ASN 2.340 0.406 14 0 "[ . 1 . 2]"
1 160 GLU 0.602 0.104 1 0 "[ . 1 . 2]"
1 161 ASP 4.195 0.502 15 1 "[ . 1 + 2]"
1 162 GLY 5.394 0.502 15 1 "[ . 1 + 2]"
1 163 TYR 0.596 0.133 13 0 "[ . 1 . 2]"
1 164 ILE 5.723 0.433 4 0 "[ . 1 . 2]"
1 165 THR 4.315 0.433 4 0 "[ . 1 . 2]"
1 166 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 ASP 1.350 0.232 16 0 "[ . 1 . 2]"
1 168 GLU 1.496 0.232 16 0 "[ . 1 . 2]"
1 169 PHE 0.011 0.011 17 0 "[ . 1 . 2]"
1 170 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 172 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 173 SER 0.054 0.019 13 0 "[ . 1 . 2]"
1 174 LYS 0.900 0.058 3 0 "[ . 1 . 2]"
1 175 VAL 1.311 0.081 7 0 "[ . 1 . 2]"
1 176 ASP 0.474 0.081 7 0 "[ . 1 . 2]"
1 178 SER 0.010 0.009 2 0 "[ . 1 . 2]"
1 179 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 180 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 181 GLY 0.002 0.002 8 0 "[ . 1 . 2]"
1 182 ALA 0.530 0.069 12 0 "[ . 1 . 2]"
1 183 LEU 0.530 0.069 12 0 "[ . 1 . 2]"
1 184 ASN 0.818 0.082 16 0 "[ . 1 . 2]"
1 185 LEU 0.818 0.082 16 0 "[ . 1 . 2]"
1 186 TYR 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 6 SER HA 1 7 LYS H 0.000 . 5.000 2.729 2.132 3.560 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER QB 1 7 LYS H 0.000 . 6.000 3.041 1.774 4.039 . 0 0 "[ . 1 . 2]" 1
3 1 7 LYS QB 1 8 LEU H 0.000 . 6.000 2.826 1.681 4.002 . 0 0 "[ . 1 . 2]" 1
4 1 7 LYS H 1 8 LEU H 0.000 . 5.000 3.780 1.603 4.658 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU HA 1 9 SER H 0.000 . 5.000 3.007 2.175 3.572 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU H 1 9 SER H 0.000 . 5.000 3.428 1.851 4.619 . 0 0 "[ . 1 . 2]" 1
7 1 9 SER QB 1 10 LYS H 0.000 . 6.000 3.549 2.298 4.049 . 0 0 "[ . 1 . 2]" 1
8 1 10 LYS H 1 11 ASP H 0.000 . 5.000 2.549 1.928 3.932 . 0 0 "[ . 1 . 2]" 1
9 1 12 ASP HA 1 13 LEU H 0.000 . 5.000 3.558 3.515 3.571 . 0 0 "[ . 1 . 2]" 1
10 1 12 ASP QB 1 13 LEU H 0.000 . 6.000 2.288 1.944 2.616 . 0 0 "[ . 1 . 2]" 1
11 1 12 ASP H 1 13 LEU H 0.000 . 3.500 2.755 2.515 2.911 . 0 0 "[ . 1 . 2]" 1
12 1 13 LEU HA 1 14 THR H 0.000 . 5.000 3.536 3.431 3.568 . 0 0 "[ . 1 . 2]" 1
13 1 13 LEU QB 1 14 THR H 0.000 . 6.000 2.504 1.938 2.984 . 0 0 "[ . 1 . 2]" 1
14 1 14 THR H 1 15 CYS H 0.000 . 3.500 2.727 2.456 3.044 . 0 0 "[ . 1 . 2]" 1
15 1 15 CYS HA 1 16 LEU H 0.000 . 5.000 3.529 3.418 3.572 . 0 0 "[ . 1 . 2]" 1
16 1 15 CYS QB 1 16 LEU HA 0.000 . 6.500 4.157 3.714 4.618 . 0 0 "[ . 1 . 2]" 1
17 1 15 CYS QB 1 16 LEU H 0.000 . 4.400 2.549 1.869 3.527 . 0 0 "[ . 1 . 2]" 1
18 1 15 CYS H 1 16 LEU H 0.000 . 3.500 2.633 2.330 2.965 . 0 0 "[ . 1 . 2]" 1
19 1 16 LEU QB 1 17 LYS H 0.000 . 6.000 2.484 1.635 3.907 . 0 0 "[ . 1 . 2]" 1
20 1 17 LYS HA 1 18 GLN H 0.000 . 3.500 3.256 2.144 3.555 0.055 9 0 "[ . 1 . 2]" 1
21 1 17 LYS H 1 18 GLN QB 0.000 . 6.500 5.173 4.661 6.007 . 0 0 "[ . 1 . 2]" 1
22 1 17 LYS H 1 18 GLN H 0.000 . 5.000 3.473 2.683 4.690 . 0 0 "[ . 1 . 2]" 1
23 1 18 GLN H 1 19 SER H 0.000 . 5.000 2.471 1.503 3.829 . 0 0 "[ . 1 . 2]" 1
24 1 19 SER HA 1 20 THR H 0.000 . 5.000 2.824 2.151 3.563 . 0 0 "[ . 1 . 2]" 1
25 1 19 SER QB 1 20 THR H 0.000 . 4.400 3.330 1.760 4.038 . 0 0 "[ . 1 . 2]" 1
26 1 19 SER H 1 20 THR H 0.000 . 5.000 3.122 1.613 4.573 . 0 0 "[ . 1 . 2]" 1
27 1 20 THR HA 1 21 TYR H 0.000 . 3.500 2.972 2.241 3.558 0.058 2 0 "[ . 1 . 2]" 1
28 1 20 THR H 1 21 TYR H 0.000 . 3.500 2.952 1.602 3.665 0.165 13 0 "[ . 1 . 2]" 1
29 1 21 TYR HA 1 22 PHE H 0.000 . 3.500 3.045 2.521 3.485 . 0 0 "[ . 1 . 2]" 1
30 1 21 TYR H 1 22 PHE H 0.000 . 3.500 2.766 1.795 3.565 0.065 16 0 "[ . 1 . 2]" 1
31 1 22 PHE HA 1 23 ASP H 0.000 . 2.900 2.650 2.299 3.378 0.478 13 0 "[ . 1 . 2]" 1
32 1 22 PHE QB 1 23 ASP H 0.000 . 4.500 3.755 2.737 3.932 . 0 0 "[ . 1 . 2]" 1
33 1 22 PHE H 1 23 ASP H 0.000 . 2.900 2.825 2.119 3.147 0.247 19 0 "[ . 1 . 2]" 1
34 1 23 ASP QB 1 24 ARG H 0.000 . 6.000 2.743 1.811 3.473 . 0 0 "[ . 1 . 2]" 1
35 1 24 ARG QB 1 25 ARG QB 0.000 . 7.000 4.570 3.793 5.428 . 0 0 "[ . 1 . 2]" 1
36 1 24 ARG H 1 25 ARG H 0.000 . 3.500 2.773 1.883 3.191 . 0 0 "[ . 1 . 2]" 1
37 1 25 ARG H 1 26 GLU H 0.000 . 5.000 2.603 2.069 2.990 . 0 0 "[ . 1 . 2]" 1
38 1 26 GLU H 1 27 ILE H 0.000 . 3.500 2.638 2.379 3.162 . 0 0 "[ . 1 . 2]" 1
39 1 27 ILE H 1 28 GLN H 0.000 . 3.500 2.770 2.572 2.952 . 0 0 "[ . 1 . 2]" 1
40 1 28 GLN QB 1 29 GLN H 0.000 . 6.000 2.623 2.047 3.393 . 0 0 "[ . 1 . 2]" 1
41 1 28 GLN H 1 29 GLN HA 0.000 . 5.000 5.118 5.060 5.272 0.272 8 0 "[ . 1 . 2]" 1
42 1 28 GLN H 1 29 GLN H 0.000 . 3.500 2.454 2.380 2.650 . 0 0 "[ . 1 . 2]" 1
43 1 29 GLN H 1 30 TRP H 0.000 . 3.500 2.709 2.505 2.912 . 0 0 "[ . 1 . 2]" 1
44 1 30 TRP H 1 31 HIS H 0.000 . 3.500 2.599 2.403 2.748 . 0 0 "[ . 1 . 2]" 1
45 1 30 TRP QB 1 31 HIS H 0.000 . 4.500 2.664 2.367 3.019 . 0 0 "[ . 1 . 2]" 1
46 1 31 HIS H 1 32 LYS H 0.000 . 3.500 3.023 2.622 3.291 . 0 0 "[ . 1 . 2]" 1
47 1 32 LYS H 1 33 GLY H 0.000 . 3.500 2.656 2.421 2.870 . 0 0 "[ . 1 . 2]" 1
48 1 33 GLY H 1 34 PHE HA 0.000 . 5.000 5.101 5.052 5.142 0.142 5 0 "[ . 1 . 2]" 1
49 1 33 GLY H 1 34 PHE H 0.000 . 5.000 2.427 2.365 2.490 . 0 0 "[ . 1 . 2]" 1
50 1 34 PHE H 1 35 LEU H 0.000 . 5.000 2.631 2.509 2.751 . 0 0 "[ . 1 . 2]" 1
51 1 34 PHE QB 1 35 LEU H 0.000 . 3.900 2.489 2.223 2.741 . 0 0 "[ . 1 . 2]" 1
52 1 34 PHE QD 1 35 LEU H 0.000 . 7.000 3.546 2.988 3.990 . 0 0 "[ . 1 . 2]" 1
53 1 35 LEU H 1 36 ARG QB 0.000 . 6.500 4.299 4.165 4.427 . 0 0 "[ . 1 . 2]" 1
54 1 35 LEU QB 1 36 ARG H 0.000 . 4.500 2.721 2.493 2.962 . 0 0 "[ . 1 . 2]" 1
55 1 36 ARG HA 1 37 ASP H 0.000 . 3.500 3.533 3.508 3.554 0.054 9 0 "[ . 1 . 2]" 1
56 1 36 ARG QB 1 37 ASP H 0.000 . 6.000 2.542 2.338 2.755 . 0 0 "[ . 1 . 2]" 1
57 1 37 ASP HA 1 38 CYS H 0.000 . 5.000 3.390 3.291 3.458 . 0 0 "[ . 1 . 2]" 1
58 1 37 ASP QB 1 38 CYS H 0.000 . 6.000 3.127 2.840 3.684 . 0 0 "[ . 1 . 2]" 1
59 1 37 ASP H 1 38 CYS H 0.000 . 5.000 2.324 2.168 2.449 . 0 0 "[ . 1 . 2]" 1
60 1 39 PRO HA 1 40 SER H 0.000 . 5.000 3.205 2.271 3.467 . 0 0 "[ . 1 . 2]" 1
61 1 39 PRO QB 1 40 SER HA 0.000 . 6.000 4.090 3.881 4.543 . 0 0 "[ . 1 . 2]" 1
62 1 39 PRO QB 1 40 SER H 0.000 . 6.000 3.552 3.115 3.906 . 0 0 "[ . 1 . 2]" 1
63 1 39 PRO QD 1 40 SER H 0.000 . 6.000 3.082 2.691 4.538 . 0 0 "[ . 1 . 2]" 1
64 1 40 SER HA 1 41 GLY H 0.000 . 5.000 3.381 3.188 3.483 . 0 0 "[ . 1 . 2]" 1
65 1 40 SER H 1 41 GLY H 0.000 . 5.000 2.222 1.711 2.535 . 0 0 "[ . 1 . 2]" 1
66 1 41 GLY H 1 42 GLN H 0.000 . 3.500 2.748 2.392 3.393 . 0 0 "[ . 1 . 2]" 1
67 1 42 GLN HA 1 43 LEU H 0.000 . 2.900 2.162 2.107 2.304 . 0 0 "[ . 1 . 2]" 1
68 1 42 GLN QB 1 43 LEU H 0.000 . 4.500 3.159 2.594 3.587 . 0 0 "[ . 1 . 2]" 1
69 1 43 LEU HA 1 44 ALA H 0.000 . 2.900 2.146 2.130 2.177 . 0 0 "[ . 1 . 2]" 1
70 1 43 LEU H 1 44 ALA H 0.000 . 5.000 4.287 4.054 4.467 . 0 0 "[ . 1 . 2]" 1
71 1 44 ALA HA 1 45 ARG H 0.000 . 3.500 2.300 2.220 2.334 . 0 0 "[ . 1 . 2]" 1
72 1 44 ALA HA 1 45 ARG HA 0.000 . 5.000 4.314 4.296 4.331 . 0 0 "[ . 1 . 2]" 1
73 1 44 ALA MB 1 45 ARG HA 0.000 . 6.500 4.453 4.393 4.506 . 0 0 "[ . 1 . 2]" 1
74 1 45 ARG QB 1 46 GLU H 0.000 . 6.000 2.623 2.190 3.535 . 0 0 "[ . 1 . 2]" 1
75 1 46 GLU QB 1 47 ASP H 0.000 . 6.000 2.493 2.032 3.415 . 0 0 "[ . 1 . 2]" 1
76 1 46 GLU H 1 47 ASP H 0.000 . 5.000 2.891 2.601 3.104 . 0 0 "[ . 1 . 2]" 1
77 1 47 ASP HA 1 48 PHE H 0.000 . 3.500 3.554 3.537 3.568 0.068 7 0 "[ . 1 . 2]" 1
78 1 47 ASP QB 1 48 PHE H 0.000 . 6.000 2.203 1.926 2.406 . 0 0 "[ . 1 . 2]" 1
79 1 47 ASP H 1 48 PHE H 0.000 . 3.500 2.759 2.508 3.098 . 0 0 "[ . 1 . 2]" 1
80 1 48 PHE HA 1 49 VAL H 0.000 . 5.000 3.566 3.522 3.585 . 0 0 "[ . 1 . 2]" 1
81 1 48 PHE QB 1 49 VAL H 0.000 . 6.000 2.196 1.830 2.566 . 0 0 "[ . 1 . 2]" 1
82 1 48 PHE H 1 49 VAL H 0.000 . 3.500 3.115 2.843 3.330 . 0 0 "[ . 1 . 2]" 1
83 1 49 VAL HA 1 50 LYS H 0.000 . 5.000 3.568 3.544 3.583 . 0 0 "[ . 1 . 2]" 1
84 1 49 VAL HB 1 50 LYS H 0.000 . 5.000 2.897 2.175 3.770 . 0 0 "[ . 1 . 2]" 1
85 1 49 VAL H 1 50 LYS H 0.000 . 3.500 2.751 2.554 2.891 . 0 0 "[ . 1 . 2]" 1
86 1 50 LYS HA 1 51 ILE H 0.000 . 3.500 3.541 3.490 3.560 0.060 10 0 "[ . 1 . 2]" 1
87 1 50 LYS QB 1 51 ILE MD 0.000 . 7.500 4.461 4.018 4.845 . 0 0 "[ . 1 . 2]" 1
88 1 50 LYS QB 1 51 ILE H 0.000 . 4.500 2.377 1.831 2.769 . 0 0 "[ . 1 . 2]" 1
89 1 50 LYS H 1 51 ILE H 0.000 . 3.500 2.927 2.671 3.227 . 0 0 "[ . 1 . 2]" 1
90 1 51 ILE HB 1 52 TYR H 0.000 . 3.500 2.428 2.204 2.764 . 0 0 "[ . 1 . 2]" 1
91 1 51 ILE MG 1 52 TYR HA 0.000 . 6.500 3.007 2.823 3.565 . 0 0 "[ . 1 . 2]" 1
92 1 51 ILE MG 1 52 TYR QB 0.000 . 7.500 4.077 3.679 4.596 . 0 0 "[ . 1 . 2]" 1
93 1 51 ILE MG 1 52 TYR QD 0.000 . 6.800 2.801 2.167 4.153 . 0 0 "[ . 1 . 2]" 1
94 1 51 ILE MG 1 52 TYR H 0.000 . 5.000 2.834 2.397 3.387 . 0 0 "[ . 1 . 2]" 1
95 1 51 ILE H 1 52 TYR H 0.000 . 3.500 2.846 2.576 3.066 . 0 0 "[ . 1 . 2]" 1
96 1 51 ILE H 1 52 TYR QD 0.000 . 7.000 4.757 3.869 5.862 . 0 0 "[ . 1 . 2]" 1
97 1 52 TYR QB 1 53 LYS H 0.000 . 4.500 2.580 2.264 2.818 . 0 0 "[ . 1 . 2]" 1
98 1 52 TYR QD 1 53 LYS H 0.000 . 7.000 4.402 4.198 4.624 . 0 0 "[ . 1 . 2]" 1
99 1 52 TYR H 1 53 LYS H 0.000 . 3.500 2.769 2.571 3.033 . 0 0 "[ . 1 . 2]" 1
100 1 53 LYS HA 1 54 GLN H 0.000 . 5.000 3.541 3.489 3.571 . 0 0 "[ . 1 . 2]" 1
101 1 53 LYS H 1 54 GLN H 0.000 . 3.500 2.743 2.451 3.004 . 0 0 "[ . 1 . 2]" 1
102 1 54 GLN HA 1 55 PHE H 0.000 . 5.000 3.500 3.448 3.563 . 0 0 "[ . 1 . 2]" 1
103 1 54 GLN H 1 55 PHE H 0.000 . 3.500 2.653 2.431 2.879 . 0 0 "[ . 1 . 2]" 1
104 1 55 PHE HA 1 56 PHE H 0.000 . 3.500 3.450 3.364 3.513 0.013 11 0 "[ . 1 . 2]" 1
105 1 55 PHE QB 1 56 PHE H 0.000 . 6.000 2.949 2.723 3.240 . 0 0 "[ . 1 . 2]" 1
106 1 55 PHE QD 1 56 PHE H 0.000 . 7.000 4.471 3.903 4.874 . 0 0 "[ . 1 . 2]" 1
107 1 56 PHE HA 1 57 PRO QD 0.000 . 4.300 2.106 2.037 2.210 . 0 0 "[ . 1 . 2]" 1
108 1 56 PHE H 1 57 PRO QD 0.000 . 6.000 2.479 2.150 3.098 . 0 0 "[ . 1 . 2]" 1
109 1 57 PRO HA 1 58 PHE H 0.000 . 5.000 3.372 3.073 3.566 . 0 0 "[ . 1 . 2]" 1
110 1 57 PRO QB 1 58 PHE HA 0.000 . 6.000 3.982 3.619 4.385 . 0 0 "[ . 1 . 2]" 1
111 1 57 PRO QD 1 58 PHE H 0.000 . 3.900 2.855 2.541 3.420 . 0 0 "[ . 1 . 2]" 1
112 1 58 PHE HA 1 59 GLY H 0.000 . 3.500 3.060 2.317 3.558 0.058 16 0 "[ . 1 . 2]" 1
113 1 58 PHE QB 1 59 GLY H 0.000 . 6.000 3.416 1.978 4.034 . 0 0 "[ . 1 . 2]" 1
114 1 58 PHE H 1 59 GLY H 0.000 . 3.500 2.968 2.445 3.510 0.010 7 0 "[ . 1 . 2]" 1
115 1 60 SER HA 1 61 PRO HA 0.000 . 5.000 4.649 4.584 4.683 . 0 0 "[ . 1 . 2]" 1
116 1 60 SER HA 1 61 PRO QD 0.000 . 4.300 2.090 1.998 2.188 . 0 0 "[ . 1 . 2]" 1
117 1 60 SER HA 1 61 PRO QG 0.000 . 6.000 4.056 3.946 4.153 . 0 0 "[ . 1 . 2]" 1
118 1 60 SER QB 1 61 PRO QD 0.000 . 7.000 3.715 3.699 3.740 . 0 0 "[ . 1 . 2]" 1
119 1 61 PRO HA 1 62 GLU H 0.000 . 5.000 3.122 2.370 3.448 . 0 0 "[ . 1 . 2]" 1
120 1 61 PRO QG 1 62 GLU HA 0.000 . 6.000 5.162 4.861 5.362 . 0 0 "[ . 1 . 2]" 1
121 1 62 GLU HA 1 63 ASP H 0.000 . 5.000 3.555 3.520 3.575 . 0 0 "[ . 1 . 2]" 1
122 1 62 GLU QB 1 63 ASP HA 0.000 . 6.000 3.947 3.707 4.266 . 0 0 "[ . 1 . 2]" 1
123 1 62 GLU QB 1 63 ASP H 0.000 . 4.500 2.233 1.694 3.367 . 0 0 "[ . 1 . 2]" 1
124 1 62 GLU H 1 63 ASP H 0.000 . 3.500 2.972 2.636 3.338 . 0 0 "[ . 1 . 2]" 1
125 1 63 ASP QB 1 64 PHE H 0.000 . 5.000 2.559 2.150 3.533 . 0 0 "[ . 1 . 2]" 1
126 1 63 ASP H 1 64 PHE H 0.000 . 5.000 2.808 2.634 3.022 . 0 0 "[ . 1 . 2]" 1
127 1 64 PHE HA 1 65 ALA H 0.000 . 5.000 3.566 3.534 3.575 . 0 0 "[ . 1 . 2]" 1
128 1 64 PHE QB 1 65 ALA H 0.000 . 6.000 2.067 1.849 2.490 . 0 0 "[ . 1 . 2]" 1
129 1 64 PHE QD 1 65 ALA HA 0.000 . 7.000 3.510 2.694 4.005 . 0 0 "[ . 1 . 2]" 1
130 1 64 PHE QD 1 65 ALA MB 0.000 . 8.500 3.882 3.284 4.480 . 0 0 "[ . 1 . 2]" 1
131 1 64 PHE QD 1 65 ALA H 0.000 . 7.000 3.348 2.793 3.919 . 0 0 "[ . 1 . 2]" 1
132 1 64 PHE H 1 65 ALA H 0.000 . 5.000 2.951 2.689 3.130 . 0 0 "[ . 1 . 2]" 1
133 1 65 ALA MB 1 66 ASN H 0.000 . 5.000 2.777 2.570 2.971 . 0 0 "[ . 1 . 2]" 1
134 1 65 ALA H 1 66 ASN H 0.000 . 3.500 2.722 2.507 2.841 . 0 0 "[ . 1 . 2]" 1
135 1 66 ASN HA 1 67 HIS H 0.000 . 3.500 3.537 3.488 3.558 0.058 18 0 "[ . 1 . 2]" 1
136 1 66 ASN QB 1 67 HIS H 0.000 . 4.500 2.306 1.832 2.708 . 0 0 "[ . 1 . 2]" 1
137 1 66 ASN H 1 67 HIS HD2 0.000 . 5.000 5.078 5.013 5.171 0.171 3 0 "[ . 1 . 2]" 1
138 1 66 ASN H 1 67 HIS H 0.000 . 3.500 2.576 2.373 2.960 . 0 0 "[ . 1 . 2]" 1
139 1 67 HIS HA 1 68 LEU H 0.000 . 5.000 3.533 3.481 3.569 . 0 0 "[ . 1 . 2]" 1
140 1 67 HIS H 1 68 LEU H 0.000 . 3.500 2.862 2.587 3.217 . 0 0 "[ . 1 . 2]" 1
141 1 68 LEU H 1 69 PHE H 0.000 . 3.500 2.951 2.728 3.371 . 0 0 "[ . 1 . 2]" 1
142 1 69 PHE HA 1 70 THR H 0.000 . 5.000 3.549 3.461 3.589 . 0 0 "[ . 1 . 2]" 1
143 1 69 PHE QD 1 70 THR HA 0.000 . 7.000 3.067 2.358 4.426 . 0 0 "[ . 1 . 2]" 1
144 1 69 PHE QD 1 70 THR H 0.000 . 4.900 3.348 2.313 4.077 . 0 0 "[ . 1 . 2]" 1
145 1 69 PHE QE 1 70 THR HA 0.000 . 7.000 4.436 3.480 5.281 . 0 0 "[ . 1 . 2]" 1
146 1 69 PHE H 1 70 THR H 0.000 . 5.000 3.059 2.895 3.277 . 0 0 "[ . 1 . 2]" 1
147 1 70 THR H 1 71 VAL H 0.000 . 5.000 2.764 2.468 3.241 . 0 0 "[ . 1 . 2]" 1
148 1 71 VAL HA 1 72 PHE HA 0.000 . 5.000 4.635 4.383 4.873 . 0 0 "[ . 1 . 2]" 1
149 1 71 VAL H 1 72 PHE H 0.000 . 5.000 2.750 2.430 3.189 . 0 0 "[ . 1 . 2]" 1
150 1 72 PHE HA 1 73 ASP H 0.000 . 5.000 3.168 2.354 3.577 . 0 0 "[ . 1 . 2]" 1
151 1 72 PHE H 1 73 ASP H 0.000 . 5.000 3.398 2.211 4.660 . 0 0 "[ . 1 . 2]" 1
152 1 73 ASP HA 1 74 LYS QB 0.000 . 6.500 4.302 3.825 4.866 . 0 0 "[ . 1 . 2]" 1
153 1 73 ASP HA 1 74 LYS H 0.000 . 2.900 2.320 2.128 3.160 0.260 6 0 "[ . 1 . 2]" 1
154 1 73 ASP QB 1 74 LYS H 0.000 . 6.000 3.416 1.625 4.052 . 0 0 "[ . 1 . 2]" 1
155 1 73 ASP H 1 74 LYS H 0.000 . 5.000 4.114 3.185 4.621 . 0 0 "[ . 1 . 2]" 1
156 1 74 LYS HA 1 75 ASP H 0.000 . 3.500 3.430 3.105 3.555 0.055 18 0 "[ . 1 . 2]" 1
157 1 74 LYS QB 1 75 ASP HA 0.000 . 6.500 4.157 3.827 4.637 . 0 0 "[ . 1 . 2]" 1
158 1 74 LYS QB 1 75 ASP QB 0.000 . 7.500 4.476 3.698 5.384 . 0 0 "[ . 1 . 2]" 1
159 1 74 LYS QB 1 75 ASP H 0.000 . 4.400 2.992 2.118 3.956 . 0 0 "[ . 1 . 2]" 1
160 1 74 LYS H 1 75 ASP H 0.000 . 3.500 2.360 1.624 3.016 . 0 0 "[ . 1 . 2]" 1
161 1 75 ASP HA 1 76 ASN H 0.000 . 5.000 3.357 3.085 3.485 . 0 0 "[ . 1 . 2]" 1
162 1 75 ASP H 1 76 ASN H 0.000 . 5.000 2.664 2.340 4.211 . 0 0 "[ . 1 . 2]" 1
163 1 76 ASN HA 1 77 ASN H 0.000 . 5.000 2.788 2.302 3.220 . 0 0 "[ . 1 . 2]" 1
164 1 76 ASN QB 1 77 ASN H 0.000 . 4.500 3.829 3.450 4.036 . 0 0 "[ . 1 . 2]" 1
165 1 76 ASN H 1 77 ASN H 0.000 . 3.500 2.895 1.417 3.408 . 0 0 "[ . 1 . 2]" 1
166 1 77 ASN HA 1 78 GLY H 0.000 . 5.000 3.491 3.252 3.587 . 0 0 "[ . 1 . 2]" 1
167 1 77 ASN H 1 78 GLY H 0.000 . 3.500 2.429 2.056 3.195 . 0 0 "[ . 1 . 2]" 1
168 1 78 GLY QA 1 79 PHE H 0.000 . 6.000 2.881 2.806 2.928 . 0 0 "[ . 1 . 2]" 1
169 1 78 GLY H 1 79 PHE H 0.000 . 2.900 2.283 1.644 2.809 . 0 0 "[ . 1 . 2]" 1
170 1 79 PHE HA 1 80 ILE H 0.000 . 3.500 2.265 2.160 2.353 . 0 0 "[ . 1 . 2]" 1
171 1 79 PHE QB 1 80 ILE H 0.000 . 3.500 2.772 2.533 2.975 . 0 0 "[ . 1 . 2]" 1
172 1 80 ILE HA 1 81 HIS H 0.000 . 2.900 2.181 2.135 2.302 . 0 0 "[ . 1 . 2]" 1
173 1 80 ILE MD 1 81 HIS H 0.000 . 6.500 4.592 3.036 5.208 . 0 0 "[ . 1 . 2]" 1
174 1 81 HIS HA 1 82 PHE H 0.000 . 3.500 2.346 2.289 2.383 . 0 0 "[ . 1 . 2]" 1
175 1 81 HIS QB 1 82 PHE H 0.000 . 4.500 2.815 2.477 3.442 . 0 0 "[ . 1 . 2]" 1
176 1 82 PHE QB 1 83 GLU H 0.000 . 4.500 2.026 1.780 2.759 . 0 0 "[ . 1 . 2]" 1
177 1 82 PHE QD 1 83 GLU H 0.000 . 7.000 3.448 3.128 4.188 . 0 0 "[ . 1 . 2]" 1
178 1 82 PHE H 1 83 GLU H 0.000 . 5.000 3.200 2.852 3.487 . 0 0 "[ . 1 . 2]" 1
179 1 83 GLU HA 1 84 GLU H 0.000 . 5.000 3.550 3.497 3.590 . 0 0 "[ . 1 . 2]" 1
180 1 83 GLU QB 1 84 GLU H 0.000 . 6.000 3.067 2.407 3.386 . 0 0 "[ . 1 . 2]" 1
181 1 83 GLU H 1 84 GLU H 0.000 . 3.500 2.875 2.690 3.067 . 0 0 "[ . 1 . 2]" 1
182 1 84 GLU H 1 85 PHE H 0.000 . 3.500 2.661 2.466 3.026 . 0 0 "[ . 1 . 2]" 1
183 1 85 PHE HA 1 86 ILE H 0.000 . 3.500 3.567 3.529 3.604 0.104 13 0 "[ . 1 . 2]" 1
184 1 85 PHE QD 1 86 ILE HA 0.000 . 7.000 3.568 2.942 3.929 . 0 0 "[ . 1 . 2]" 1
185 1 85 PHE QD 1 86 ILE H 0.000 . 7.000 3.015 2.538 3.811 . 0 0 "[ . 1 . 2]" 1
186 1 85 PHE H 1 86 ILE H 0.000 . 5.000 2.974 2.685 3.258 . 0 0 "[ . 1 . 2]" 1
187 1 86 ILE H 1 87 THR H 0.000 . 3.500 2.779 2.351 3.026 . 0 0 "[ . 1 . 2]" 1
188 1 87 THR HA 1 88 VAL HA 0.000 . 5.000 4.790 4.741 4.826 . 0 0 "[ . 1 . 2]" 1
189 1 87 THR HA 1 88 VAL H 0.000 . 5.000 3.562 3.517 3.612 . 0 0 "[ . 1 . 2]" 1
190 1 87 THR HB 1 88 VAL H 0.000 . 3.500 2.493 2.183 3.169 . 0 0 "[ . 1 . 2]" 1
191 1 87 THR MG 1 88 VAL H 0.000 . 6.500 3.712 3.371 4.039 . 0 0 "[ . 1 . 2]" 1
192 1 87 THR H 1 88 VAL H 0.000 . 3.500 2.830 2.654 2.993 . 0 0 "[ . 1 . 2]" 1
193 1 88 VAL HB 1 89 LEU H 0.000 . 5.000 2.563 2.031 4.032 . 0 0 "[ . 1 . 2]" 1
194 1 88 VAL H 1 89 LEU H 0.000 . 3.500 2.744 2.503 2.913 . 0 0 "[ . 1 . 2]" 1
195 1 89 LEU H 1 90 SER H 0.000 . 5.000 2.822 2.615 3.086 . 0 0 "[ . 1 . 2]" 1
196 1 90 SER H 1 91 THR H 0.000 . 3.500 2.859 2.539 3.110 . 0 0 "[ . 1 . 2]" 1
197 1 91 THR H 1 93 SER H 0.000 . 5.000 4.176 3.797 4.700 . 0 0 "[ . 1 . 2]" 1
198 1 92 THR HA 1 93 SER H 0.000 . 5.000 3.420 3.175 3.562 . 0 0 "[ . 1 . 2]" 1
199 1 93 SER QB 1 94 ARG H 0.000 . 6.000 2.242 1.684 3.297 . 0 0 "[ . 1 . 2]" 1
200 1 94 ARG HA 1 95 GLY QA 0.000 . 6.000 4.074 3.941 4.382 . 0 0 "[ . 1 . 2]" 1
201 1 94 ARG QB 1 95 GLY QA 0.000 . 7.500 3.695 3.375 4.275 . 0 0 "[ . 1 . 2]" 1
202 1 100 LYS H 1 101 LEU H 0.000 . 5.000 2.705 2.493 3.066 . 0 0 "[ . 1 . 2]" 1
203 1 101 LEU H 1 102 SER H 0.000 . 3.500 2.858 2.640 3.191 . 0 0 "[ . 1 . 2]" 1
204 1 102 SER H 1 103 TRP H 0.000 . 5.000 2.777 2.615 2.938 . 0 0 "[ . 1 . 2]" 1
205 1 103 TRP HA 1 104 ALA HA 0.000 . 5.000 4.837 4.772 4.884 . 0 0 "[ . 1 . 2]" 1
206 1 103 TRP H 1 104 ALA H 0.000 . 5.000 2.788 2.545 3.017 . 0 0 "[ . 1 . 2]" 1
207 1 104 ALA HA 1 105 PHE H 0.000 . 5.000 3.557 3.515 3.575 . 0 0 "[ . 1 . 2]" 1
208 1 104 ALA MB 1 105 PHE QD 0.000 . 8.500 5.128 4.793 5.294 . 0 0 "[ . 1 . 2]" 1
209 1 104 ALA MB 1 105 PHE H 0.000 . 5.000 2.325 2.065 2.565 . 0 0 "[ . 1 . 2]" 1
210 1 104 ALA H 1 105 PHE H 0.000 . 3.500 2.844 2.635 3.076 . 0 0 "[ . 1 . 2]" 1
211 1 105 PHE HA 1 106 GLU H 0.000 . 5.000 3.562 3.526 3.579 . 0 0 "[ . 1 . 2]" 1
212 1 105 PHE QB 1 106 GLU H 0.000 . 6.000 2.271 1.882 2.609 . 0 0 "[ . 1 . 2]" 1
213 1 105 PHE QD 1 106 GLU H 0.000 . 7.000 3.030 2.445 3.743 . 0 0 "[ . 1 . 2]" 1
214 1 105 PHE H 1 106 GLU H 0.000 . 3.500 2.917 2.721 3.175 . 0 0 "[ . 1 . 2]" 1
215 1 106 GLU HA 1 107 LEU H 0.000 . 3.500 3.523 3.446 3.560 0.060 12 0 "[ . 1 . 2]" 1
216 1 106 GLU H 1 107 LEU H 0.000 . 3.500 2.829 2.613 3.178 . 0 0 "[ . 1 . 2]" 1
217 1 107 LEU HA 1 108 TYR HA 0.000 . 5.000 4.764 4.654 4.867 . 0 0 "[ . 1 . 2]" 1
218 1 107 LEU QB 1 108 TYR H 0.000 . 6.000 2.411 1.922 2.794 . 0 0 "[ . 1 . 2]" 1
219 1 107 LEU MD1 1 108 TYR QD 0.000 . 6.800 4.050 2.304 5.239 . 0 0 "[ . 1 . 2]" 1
220 1 107 LEU MD1 1 108 TYR QE 0.000 . 6.800 4.099 2.988 5.317 . 0 0 "[ . 1 . 2]" 1
221 1 107 LEU MD1 1 108 TYR H 0.000 . 6.500 4.349 2.231 4.863 . 0 0 "[ . 1 . 2]" 1
222 1 107 LEU MD2 1 108 TYR QD 0.000 . 8.500 3.513 2.273 4.769 . 0 0 "[ . 1 . 2]" 1
223 1 107 LEU H 1 108 TYR H 0.000 . 3.500 2.763 2.449 3.076 . 0 0 "[ . 1 . 2]" 1
224 1 108 TYR HA 1 109 ASP H 0.000 . 5.000 3.470 3.290 3.573 . 0 0 "[ . 1 . 2]" 1
225 1 108 TYR QB 1 109 ASP H 0.000 . 6.000 2.874 2.434 3.413 . 0 0 "[ . 1 . 2]" 1
226 1 108 TYR H 1 109 ASP H 0.000 . 5.000 2.650 2.382 2.881 . 0 0 "[ . 1 . 2]" 1
227 1 109 ASP HA 1 110 LEU H 0.000 . 2.900 2.454 2.313 2.574 . 0 0 "[ . 1 . 2]" 1
228 1 109 ASP H 1 110 LEU H 0.000 . 3.500 3.639 3.522 3.707 0.207 6 0 "[ . 1 . 2]" 1
229 1 110 LEU QB 1 111 ASN H 0.000 . 3.500 2.655 2.294 3.085 . 0 0 "[ . 1 . 2]" 1
230 1 110 LEU H 1 111 ASN H 0.000 . 5.000 2.939 2.652 3.114 . 0 0 "[ . 1 . 2]" 1
231 1 111 ASN HA 1 112 HIS H 0.000 . 5.000 3.294 2.121 3.545 . 0 0 "[ . 1 . 2]" 1
232 1 111 ASN H 1 112 HIS H 0.000 . 3.500 3.008 2.404 3.848 0.348 5 0 "[ . 1 . 2]" 1
233 1 112 HIS HA 1 113 ASP H 0.000 . 3.500 2.836 2.300 3.187 . 0 0 "[ . 1 . 2]" 1
234 1 112 HIS H 1 113 ASP H 0.000 . 2.900 2.526 1.527 3.199 0.299 8 0 "[ . 1 . 2]" 1
235 1 113 ASP HA 1 114 GLY H 0.000 . 2.900 2.993 2.826 3.236 0.336 20 0 "[ . 1 . 2]" 1
236 1 113 ASP H 1 114 GLY H 0.000 . 3.500 2.711 1.855 3.205 . 0 0 "[ . 1 . 2]" 1
237 1 114 GLY QA 1 115 TYR H 0.000 . 6.000 2.854 2.790 2.909 . 0 0 "[ . 1 . 2]" 1
238 1 114 GLY H 1 115 TYR H 0.000 . 2.900 2.856 2.397 2.989 0.089 13 0 "[ . 1 . 2]" 1
239 1 115 TYR HA 1 116 ILE HB 0.000 . 5.000 4.299 4.159 4.472 . 0 0 "[ . 1 . 2]" 1
240 1 115 TYR HA 1 116 ILE H 0.000 . 2.900 2.168 2.128 2.249 . 0 0 "[ . 1 . 2]" 1
241 1 115 TYR QB 1 116 ILE H 0.000 . 4.500 3.053 2.743 3.262 . 0 0 "[ . 1 . 2]" 1
242 1 115 TYR H 1 116 ILE H 0.000 . 5.000 4.382 4.264 4.476 . 0 0 "[ . 1 . 2]" 1
243 1 116 ILE HA 1 117 THR H 0.000 . 2.900 2.432 2.380 2.485 . 0 0 "[ . 1 . 2]" 1
244 1 116 ILE MG 1 117 THR HA 0.000 . 6.500 3.137 2.999 3.321 . 0 0 "[ . 1 . 2]" 1
245 1 116 ILE MG 1 117 THR H 0.000 . 5.000 1.718 1.664 1.847 . 0 0 "[ . 1 . 2]" 1
246 1 117 THR HA 1 118 PHE H 0.000 . 2.900 2.288 2.181 2.362 . 0 0 "[ . 1 . 2]" 1
247 1 117 THR HB 1 118 PHE H 0.000 . 5.000 3.503 2.621 4.170 . 0 0 "[ . 1 . 2]" 1
248 1 118 PHE QB 1 119 ASP H 0.000 . 6.000 2.805 1.969 3.671 . 0 0 "[ . 1 . 2]" 1
249 1 118 PHE H 1 119 ASP H 0.000 . 5.000 3.011 2.846 3.260 . 0 0 "[ . 1 . 2]" 1
250 1 119 ASP HA 1 120 GLU H 0.000 . 5.000 3.564 3.541 3.582 . 0 0 "[ . 1 . 2]" 1
251 1 119 ASP QB 1 120 GLU H 0.000 . 4.500 2.221 1.874 3.276 . 0 0 "[ . 1 . 2]" 1
252 1 119 ASP H 1 120 GLU H 0.000 . 5.000 3.000 2.645 3.283 . 0 0 "[ . 1 . 2]" 1
253 1 120 GLU H 1 121 MET H 0.000 . 3.500 2.897 2.559 3.309 . 0 0 "[ . 1 . 2]" 1
254 1 121 MET QB 1 122 LEU H 0.000 . 3.500 2.128 1.739 2.524 . 0 0 "[ . 1 . 2]" 1
255 1 121 MET H 1 122 LEU H 0.000 . 3.500 2.983 2.581 3.337 . 0 0 "[ . 1 . 2]" 1
256 1 122 LEU QB 1 123 THR H 0.000 . 4.500 2.447 2.071 2.780 . 0 0 "[ . 1 . 2]" 1
257 1 122 LEU MD2 1 123 THR H 0.000 . 6.500 3.982 3.205 4.559 . 0 0 "[ . 1 . 2]" 1
258 1 122 LEU HG 1 123 THR H 0.000 . 5.000 3.975 3.218 4.593 . 0 0 "[ . 1 . 2]" 1
259 1 122 LEU H 1 123 THR H 0.000 . 3.500 2.929 2.561 3.236 . 0 0 "[ . 1 . 2]" 1
260 1 123 THR HB 1 124 ILE MD 0.000 . 6.500 3.509 2.112 4.395 . 0 0 "[ . 1 . 2]" 1
261 1 123 THR HB 1 124 ILE H 0.000 . 3.500 2.266 1.861 3.516 0.016 7 0 "[ . 1 . 2]" 1
262 1 123 THR MG 1 124 ILE MD 0.000 . 5.800 3.555 2.975 3.826 . 0 0 "[ . 1 . 2]" 1
263 1 123 THR H 1 124 ILE H 0.000 . 3.500 2.937 2.732 3.170 . 0 0 "[ . 1 . 2]" 1
264 1 124 ILE HB 1 125 VAL H 0.000 . 5.000 2.284 2.021 2.590 . 0 0 "[ . 1 . 2]" 1
265 1 124 ILE MG 1 125 VAL H 0.000 . 6.500 3.149 2.611 3.520 . 0 0 "[ . 1 . 2]" 1
266 1 124 ILE H 1 125 VAL H 0.000 . 3.500 2.798 2.598 2.935 . 0 0 "[ . 1 . 2]" 1
267 1 125 VAL HA 1 126 ALA H 0.000 . 5.000 3.536 3.472 3.570 . 0 0 "[ . 1 . 2]" 1
268 1 125 VAL H 1 126 ALA H 0.000 . 3.500 2.864 2.643 3.042 . 0 0 "[ . 1 . 2]" 1
269 1 126 ALA HA 1 127 SER H 0.000 . 5.000 3.485 3.423 3.531 . 0 0 "[ . 1 . 2]" 1
270 1 126 ALA MB 1 127 SER H 0.000 . 5.000 2.685 2.495 2.863 . 0 0 "[ . 1 . 2]" 1
271 1 126 ALA H 1 127 SER H 0.000 . 2.900 2.570 2.337 2.874 . 0 0 "[ . 1 . 2]" 1
272 1 127 SER QB 1 128 VAL HB 0.000 . 6.000 4.548 3.766 5.210 . 0 0 "[ . 1 . 2]" 1
273 1 127 SER QB 1 128 VAL H 0.000 . 4.500 2.728 1.877 3.386 . 0 0 "[ . 1 . 2]" 1
274 1 127 SER H 1 128 VAL H 0.000 . 3.500 2.726 2.469 3.029 . 0 0 "[ . 1 . 2]" 1
275 1 128 VAL HB 1 129 TYR H 0.000 . 5.000 3.886 2.131 4.215 . 0 0 "[ . 1 . 2]" 1
276 1 128 VAL MG2 1 129 TYR HA 0.000 . 4.800 3.813 3.007 4.981 0.181 7 0 "[ . 1 . 2]" 1
277 1 128 VAL MG2 1 129 TYR QE 0.000 . 8.500 5.586 5.050 6.282 . 0 0 "[ . 1 . 2]" 1
278 1 128 VAL MG2 1 129 TYR H 0.000 . 6.500 3.596 2.015 4.067 . 0 0 "[ . 1 . 2]" 1
279 1 128 VAL H 1 129 TYR H 0.000 . 3.500 2.624 2.364 2.946 . 0 0 "[ . 1 . 2]" 1
280 1 129 TYR HA 1 130 LYS H 0.000 . 5.000 3.518 3.421 3.569 . 0 0 "[ . 1 . 2]" 1
281 1 129 TYR QB 1 130 LYS HA 0.000 . 6.000 3.838 3.724 3.955 . 0 0 "[ . 1 . 2]" 1
282 1 129 TYR QB 1 130 LYS H 0.000 . 6.000 2.714 2.319 3.044 . 0 0 "[ . 1 . 2]" 1
283 1 129 TYR H 1 130 LYS H 0.000 . 5.000 2.509 2.323 2.781 . 0 0 "[ . 1 . 2]" 1
284 1 130 LYS HA 1 131 MET H 0.000 . 5.000 2.970 2.577 3.434 . 0 0 "[ . 1 . 2]" 1
285 1 130 LYS QB 1 131 MET H 0.000 . 6.000 3.649 2.949 4.024 . 0 0 "[ . 1 . 2]" 1
286 1 130 LYS H 1 131 MET H 0.000 . 3.500 3.018 2.420 3.580 0.080 2 0 "[ . 1 . 2]" 1
287 1 131 MET QB 1 132 MET H 0.000 . 6.000 2.854 1.695 4.003 . 0 0 "[ . 1 . 2]" 1
288 1 131 MET H 1 132 MET H 0.000 . 2.900 2.405 1.514 3.018 0.118 3 0 "[ . 1 . 2]" 1
289 1 132 MET HA 1 133 GLY H 0.000 . 2.900 2.415 2.124 2.928 0.028 14 0 "[ . 1 . 2]" 1
290 1 132 MET H 1 133 GLY H 0.000 . 5.000 4.405 3.458 4.660 . 0 0 "[ . 1 . 2]" 1
291 1 134 SER HA 1 135 MET HA 0.000 . 5.000 4.692 4.429 5.221 0.221 7 0 "[ . 1 . 2]" 1
292 1 134 SER QB 1 135 MET HA 0.000 . 4.300 3.892 3.620 4.109 . 0 0 "[ . 1 . 2]" 1
293 1 135 MET HA 1 136 VAL H 0.000 . 3.500 2.906 2.127 3.560 0.060 16 0 "[ . 1 . 2]" 1
294 1 135 MET QB 1 136 VAL HA 0.000 . 6.000 4.308 3.887 4.993 . 0 0 "[ . 1 . 2]" 1
295 1 135 MET QB 1 136 VAL H 0.000 . 3.900 2.876 1.687 3.587 . 0 0 "[ . 1 . 2]" 1
296 1 135 MET H 1 136 VAL H 0.000 . 5.000 3.280 1.693 4.629 . 0 0 "[ . 1 . 2]" 1
297 1 136 VAL HA 1 137 THR H 0.000 . 5.000 3.387 2.636 3.565 . 0 0 "[ . 1 . 2]" 1
298 1 136 VAL HB 1 137 THR H 0.000 . 5.000 3.416 1.929 4.440 . 0 0 "[ . 1 . 2]" 1
299 1 136 VAL H 1 137 THR H 0.000 . 2.900 2.335 1.614 2.876 . 0 0 "[ . 1 . 2]" 1
300 1 137 THR HA 1 138 LEU H 0.000 . 5.000 3.471 3.226 3.571 . 0 0 "[ . 1 . 2]" 1
301 1 137 THR HB 1 138 LEU H 0.000 . 3.500 2.718 1.726 3.560 0.060 18 0 "[ . 1 . 2]" 1
302 1 137 THR MG 1 138 LEU H 0.000 . 5.000 3.272 1.644 4.241 . 0 0 "[ . 1 . 2]" 1
303 1 137 THR H 1 138 LEU H 0.000 . 3.500 2.747 1.530 3.710 0.210 9 0 "[ . 1 . 2]" 1
304 1 138 LEU QB 1 139 ASN QB 0.000 . 7.000 4.215 3.252 5.638 . 0 0 "[ . 1 . 2]" 1
305 1 144 THR HA 1 145 PRO QG 0.000 . 6.000 3.883 3.861 3.906 . 0 0 "[ . 1 . 2]" 1
306 1 144 THR HB 1 145 PRO QD 0.000 . 4.300 3.046 2.555 3.929 . 0 0 "[ . 1 . 2]" 1
307 1 144 THR MG 1 145 PRO QD 0.000 . 5.800 3.257 2.025 4.032 . 0 0 "[ . 1 . 2]" 1
308 1 145 PRO HA 1 146 GLU H 0.000 . 5.000 3.404 3.313 3.472 . 0 0 "[ . 1 . 2]" 1
309 1 146 GLU HA 1 147 MET H 0.000 . 5.000 3.527 3.456 3.573 . 0 0 "[ . 1 . 2]" 1
310 1 146 GLU H 1 147 MET H 0.000 . 5.000 2.706 2.364 2.910 . 0 0 "[ . 1 . 2]" 1
311 1 147 MET H 1 148 ARG H 0.000 . 3.500 2.745 2.370 3.013 . 0 0 "[ . 1 . 2]" 1
312 1 148 ARG HA 1 149 VAL H 0.000 . 5.000 3.507 3.448 3.572 . 0 0 "[ . 1 . 2]" 1
313 1 148 ARG QB 1 149 VAL H 0.000 . 4.500 2.621 2.281 2.898 . 0 0 "[ . 1 . 2]" 1
314 1 148 ARG H 1 149 VAL H 0.000 . 3.500 2.661 2.449 2.802 . 0 0 "[ . 1 . 2]" 1
315 1 149 VAL HB 1 150 LYS H 0.000 . 3.500 2.947 2.370 3.780 0.280 9 0 "[ . 1 . 2]" 1
316 1 149 VAL H 1 150 LYS H 0.000 . 2.900 2.680 2.583 2.884 . 0 0 "[ . 1 . 2]" 1
317 1 150 LYS HA 1 151 LYS H 0.000 . 5.000 3.511 3.422 3.558 . 0 0 "[ . 1 . 2]" 1
318 1 150 LYS QB 1 151 LYS H 0.000 . 4.500 2.643 2.294 3.002 . 0 0 "[ . 1 . 2]" 1
319 1 150 LYS QG 1 151 LYS H 0.000 . 6.000 4.109 3.565 4.560 . 0 0 "[ . 1 . 2]" 1
320 1 150 LYS H 1 151 LYS H 0.000 . 2.900 2.645 2.532 2.808 . 0 0 "[ . 1 . 2]" 1
321 1 151 LYS H 1 152 ILE MD 0.000 . 6.500 5.294 4.969 5.448 . 0 0 "[ . 1 . 2]" 1
322 1 151 LYS H 1 152 ILE H 0.000 . 3.500 2.648 2.417 2.948 . 0 0 "[ . 1 . 2]" 1
323 1 152 ILE HB 1 153 PHE H 0.000 . 3.500 2.431 2.050 2.980 . 0 0 "[ . 1 . 2]" 1
324 1 152 ILE MD 1 153 PHE H 0.000 . 6.500 4.320 3.964 4.790 . 0 0 "[ . 1 . 2]" 1
325 1 152 ILE MG 1 153 PHE HA 0.000 . 6.500 3.007 2.840 3.231 . 0 0 "[ . 1 . 2]" 1
326 1 152 ILE MG 1 153 PHE H 0.000 . 6.500 2.851 2.386 3.279 . 0 0 "[ . 1 . 2]" 1
327 1 152 ILE H 1 153 PHE H 0.000 . 3.500 2.872 2.621 3.152 . 0 0 "[ . 1 . 2]" 1
328 1 153 PHE HA 1 154 LYS H 0.000 . 5.000 3.550 3.422 3.579 . 0 0 "[ . 1 . 2]" 1
329 1 153 PHE QB 1 154 LYS H 0.000 . 6.000 2.394 1.797 3.059 . 0 0 "[ . 1 . 2]" 1
330 1 153 PHE H 1 154 LYS H 0.000 . 3.500 2.830 2.415 3.172 . 0 0 "[ . 1 . 2]" 1
331 1 154 LYS HA 1 155 LEU H 0.000 . 3.500 3.514 3.427 3.561 0.061 15 0 "[ . 1 . 2]" 1
332 1 154 LYS H 1 155 LEU H 0.000 . 3.500 2.798 2.471 3.108 . 0 0 "[ . 1 . 2]" 1
333 1 155 LEU HA 1 156 MET HA 0.000 . 5.000 4.678 4.553 4.923 . 0 0 "[ . 1 . 2]" 1
334 1 155 LEU QB 1 156 MET H 0.000 . 6.000 2.936 2.201 3.535 . 0 0 "[ . 1 . 2]" 1
335 1 155 LEU H 1 156 MET H 0.000 . 3.500 2.456 2.109 2.797 . 0 0 "[ . 1 . 2]" 1
336 1 156 MET HA 1 157 ASP H 0.000 . 5.000 3.470 2.860 3.578 . 0 0 "[ . 1 . 2]" 1
337 1 156 MET QB 1 157 ASP H 0.000 . 6.000 2.613 1.719 3.850 . 0 0 "[ . 1 . 2]" 1
338 1 156 MET H 1 157 ASP H 0.000 . 2.900 2.549 1.962 3.069 0.169 16 0 "[ . 1 . 2]" 1
339 1 157 ASP HA 1 158 LYS H 0.000 . 3.500 2.798 2.105 3.540 0.040 18 0 "[ . 1 . 2]" 1
340 1 157 ASP H 1 158 LYS H 0.000 . 3.500 3.435 2.894 3.859 0.359 6 0 "[ . 1 . 2]" 1
341 1 158 LYS HA 1 159 ASN QB 0.000 . 6.000 4.912 3.946 5.336 . 0 0 "[ . 1 . 2]" 1
342 1 158 LYS HA 1 159 ASN H 0.000 . 2.900 2.935 2.355 3.306 0.406 14 0 "[ . 1 . 2]" 1
343 1 158 LYS QB 1 159 ASN H 0.000 . 4.500 3.658 2.875 4.043 . 0 0 "[ . 1 . 2]" 1
344 1 160 GLU HA 1 161 ASP HA 0.000 . 5.000 4.516 4.338 4.876 . 0 0 "[ . 1 . 2]" 1
345 1 160 GLU QB 1 161 ASP H 0.000 . 6.000 3.818 3.201 4.040 . 0 0 "[ . 1 . 2]" 1
346 1 161 ASP HA 1 162 GLY QA 0.000 . 5.000 4.114 4.061 4.193 . 0 0 "[ . 1 . 2]" 1
347 1 161 ASP HA 1 162 GLY H 0.000 . 2.900 3.110 2.931 3.402 0.502 15 1 "[ . 1 + 2]" 1
348 1 161 ASP QB 1 162 GLY QA 0.000 . 7.000 4.322 3.904 4.566 . 0 0 "[ . 1 . 2]" 1
349 1 161 ASP H 1 162 GLY H 0.000 . 3.500 2.254 1.546 3.312 . 0 0 "[ . 1 . 2]" 1
350 1 162 GLY QA 1 163 TYR HA 0.000 . 6.000 4.038 3.989 4.078 . 0 0 "[ . 1 . 2]" 1
351 1 162 GLY QA 1 163 TYR QB 0.000 . 7.000 4.435 4.263 4.559 . 0 0 "[ . 1 . 2]" 1
352 1 162 GLY QA 1 163 TYR QD 0.000 . 7.000 3.525 3.139 3.892 . 0 0 "[ . 1 . 2]" 1
353 1 162 GLY QA 1 163 TYR H 0.000 . 2.900 2.573 2.394 2.777 . 0 0 "[ . 1 . 2]" 1
354 1 162 GLY H 1 163 TYR H 0.000 . 3.500 3.330 2.398 3.633 0.133 13 0 "[ . 1 . 2]" 1
355 1 163 TYR HA 1 164 ILE HA 0.000 . 5.000 4.391 4.321 4.487 . 0 0 "[ . 1 . 2]" 1
356 1 163 TYR HA 1 164 ILE H 0.000 . 2.900 2.320 2.245 2.356 . 0 0 "[ . 1 . 2]" 1
357 1 163 TYR QB 1 164 ILE H 0.000 . 3.900 2.632 2.495 2.791 . 0 0 "[ . 1 . 2]" 1
358 1 163 TYR H 1 164 ILE H 0.000 . 5.000 4.511 4.422 4.624 . 0 0 "[ . 1 . 2]" 1
359 1 164 ILE HA 1 165 THR H 0.000 . 2.900 2.231 2.112 2.386 . 0 0 "[ . 1 . 2]" 1
360 1 164 ILE HB 1 165 THR H 0.000 . 3.900 3.823 2.684 4.333 0.433 4 0 "[ . 1 . 2]" 1
361 1 164 ILE MD 1 165 THR H 0.000 . 5.000 3.629 2.026 4.358 . 0 0 "[ . 1 . 2]" 1
362 1 164 ILE H 1 165 THR H 0.000 . 5.000 4.500 4.284 4.603 . 0 0 "[ . 1 . 2]" 1
363 1 165 THR HA 1 166 LEU H 0.000 . 2.900 2.339 2.313 2.360 . 0 0 "[ . 1 . 2]" 1
364 1 165 THR MG 1 166 LEU H 0.000 . 5.000 2.941 1.681 4.072 . 0 0 "[ . 1 . 2]" 1
365 1 166 LEU H 1 167 ASP H 0.000 . 3.500 2.931 2.605 3.236 . 0 0 "[ . 1 . 2]" 1
366 1 167 ASP QB 1 168 GLU H 0.000 . 4.500 2.530 2.047 3.369 . 0 0 "[ . 1 . 2]" 1
367 1 167 ASP H 1 168 GLU H 0.000 . 2.900 2.945 2.574 3.132 0.232 16 0 "[ . 1 . 2]" 1
368 1 168 GLU HA 1 169 PHE H 0.000 . 5.000 3.529 3.448 3.565 . 0 0 "[ . 1 . 2]" 1
369 1 168 GLU QB 1 169 PHE H 0.000 . 4.500 2.706 2.020 3.591 . 0 0 "[ . 1 . 2]" 1
370 1 168 GLU H 1 169 PHE H 0.000 . 2.900 2.666 2.424 2.870 . 0 0 "[ . 1 . 2]" 1
371 1 169 PHE HA 1 170 ARG H 0.000 . 5.000 3.494 3.384 3.581 . 0 0 "[ . 1 . 2]" 1
372 1 169 PHE QB 1 170 ARG H 0.000 . 6.000 2.641 1.973 3.114 . 0 0 "[ . 1 . 2]" 1
373 1 169 PHE QD 1 170 ARG HA 0.000 . 7.000 3.273 2.286 4.145 . 0 0 "[ . 1 . 2]" 1
374 1 169 PHE QD 1 170 ARG H 0.000 . 7.000 3.474 2.566 4.241 . 0 0 "[ . 1 . 2]" 1
375 1 169 PHE H 1 170 ARG QB 0.000 . 6.000 4.306 4.012 4.715 . 0 0 "[ . 1 . 2]" 1
376 1 169 PHE H 1 170 ARG H 0.000 . 3.500 2.587 2.357 2.859 . 0 0 "[ . 1 . 2]" 1
377 1 170 ARG HA 1 171 GLU HA 0.000 . 5.000 4.758 4.658 4.836 . 0 0 "[ . 1 . 2]" 1
378 1 170 ARG HA 1 171 GLU H 0.000 . 5.000 3.558 3.509 3.576 . 0 0 "[ . 1 . 2]" 1
379 1 170 ARG QB 1 171 GLU HA 0.000 . 6.000 3.957 3.590 4.724 . 0 0 "[ . 1 . 2]" 1
380 1 170 ARG H 1 171 GLU H 0.000 . 3.500 2.850 2.615 3.212 . 0 0 "[ . 1 . 2]" 1
381 1 171 GLU QB 1 172 GLY H 0.000 . 6.000 2.476 1.826 2.908 . 0 0 "[ . 1 . 2]" 1
382 1 172 GLY QA 1 173 SER H 0.000 . 3.900 2.641 2.418 2.905 . 0 0 "[ . 1 . 2]" 1
383 1 172 GLY H 1 173 SER H 0.000 . 3.500 2.771 2.549 3.025 . 0 0 "[ . 1 . 2]" 1
384 1 173 SER H 1 174 LYS H 0.000 . 5.000 2.670 2.242 3.161 . 0 0 "[ . 1 . 2]" 1
385 1 174 LYS HA 1 175 VAL H 0.000 . 3.500 3.539 3.506 3.558 0.058 3 0 "[ . 1 . 2]" 1
386 1 174 LYS QB 1 175 VAL H 0.000 . 4.500 2.424 2.091 2.691 . 0 0 "[ . 1 . 2]" 1
387 1 174 LYS H 1 175 VAL H 0.000 . 2.900 2.702 2.353 2.944 0.044 8 0 "[ . 1 . 2]" 1
388 1 175 VAL HA 1 176 ASP H 0.000 . 3.500 3.460 3.231 3.552 0.052 8 0 "[ . 1 . 2]" 1
389 1 175 VAL HB 1 176 ASP HA 0.000 . 5.000 4.457 3.998 4.905 . 0 0 "[ . 1 . 2]" 1
390 1 175 VAL HB 1 176 ASP QB 0.000 . 6.000 4.212 3.417 5.300 . 0 0 "[ . 1 . 2]" 1
391 1 175 VAL HB 1 176 ASP H 0.000 . 3.500 2.457 1.668 3.581 0.081 7 0 "[ . 1 . 2]" 1
392 1 175 VAL H 1 176 ASP H 0.000 . 3.500 2.778 2.328 3.313 . 0 0 "[ . 1 . 2]" 1
393 1 178 SER HA 1 179 ILE H 0.000 . 5.000 3.372 2.220 3.574 . 0 0 "[ . 1 . 2]" 1
394 1 178 SER QB 1 179 ILE HA 0.000 . 6.000 4.161 3.666 4.637 . 0 0 "[ . 1 . 2]" 1
395 1 178 SER QB 1 179 ILE MD 0.000 . 7.500 4.922 4.184 5.619 . 0 0 "[ . 1 . 2]" 1
396 1 178 SER QB 1 179 ILE H 0.000 . 6.000 3.045 2.295 3.897 . 0 0 "[ . 1 . 2]" 1
397 1 178 SER H 1 179 ILE H 0.000 . 3.500 2.144 1.497 3.383 . 0 0 "[ . 1 . 2]" 1
398 1 179 ILE HA 1 180 ILE H 0.000 . 5.000 3.460 3.323 3.583 . 0 0 "[ . 1 . 2]" 1
399 1 179 ILE HB 1 180 ILE H 0.000 . 5.000 2.881 2.091 3.368 . 0 0 "[ . 1 . 2]" 1
400 1 179 ILE MG 1 180 ILE H 0.000 . 6.500 3.409 2.467 4.118 . 0 0 "[ . 1 . 2]" 1
401 1 179 ILE H 1 180 ILE H 0.000 . 3.500 2.669 2.243 2.941 . 0 0 "[ . 1 . 2]" 1
402 1 180 ILE H 1 181 GLY H 0.000 . 3.500 2.914 2.620 3.315 . 0 0 "[ . 1 . 2]" 1
403 1 181 GLY H 1 182 ALA H 0.000 . 3.500 3.038 2.502 3.290 . 0 0 "[ . 1 . 2]" 1
404 1 182 ALA H 1 183 LEU H 0.000 . 2.900 2.895 2.568 2.969 0.069 12 0 "[ . 1 . 2]" 1
405 1 183 LEU H 1 184 ASN H 0.000 . 3.500 2.879 2.668 3.275 . 0 0 "[ . 1 . 2]" 1
406 1 184 ASN HA 1 185 LEU H 0.000 . 3.500 3.538 3.444 3.582 0.082 16 0 "[ . 1 . 2]" 1
407 1 184 ASN QB 1 185 LEU H 0.000 . 4.500 2.324 1.701 2.873 . 0 0 "[ . 1 . 2]" 1
408 1 184 ASN H 1 185 LEU H 0.000 . 3.500 2.669 2.258 3.217 . 0 0 "[ . 1 . 2]" 1
409 1 185 LEU HA 1 186 TYR H 0.000 . 5.000 3.482 3.394 3.584 . 0 0 "[ . 1 . 2]" 1
410 1 185 LEU QB 1 186 TYR H 0.000 . 6.000 2.864 1.857 3.826 . 0 0 "[ . 1 . 2]" 1
411 1 8 LEU HA 1 11 ASP H 0.000 . 5.000 4.265 3.394 5.089 0.089 1 0 "[ . 1 . 2]" 1
412 1 8 LEU MD1 1 12 ASP QB 0.000 . 5.800 5.447 3.627 6.323 0.523 13 1 "[ . 1 + . 2]" 1
413 1 8 LEU H 1 11 ASP H 0.000 . 5.000 4.496 3.285 5.228 0.228 6 0 "[ . 1 . 2]" 1
414 1 9 SER HA 1 12 ASP QB 0.000 . 4.300 3.438 2.175 3.821 . 0 0 "[ . 1 . 2]" 1
415 1 9 SER HA 1 12 ASP H 0.000 . 5.000 4.359 3.589 4.911 . 0 0 "[ . 1 . 2]" 1
416 1 9 SER HA 1 13 LEU H 0.000 . 5.000 4.233 3.205 5.011 0.011 14 0 "[ . 1 . 2]" 1
417 1 9 SER QB 1 12 ASP QB 0.000 . 7.000 5.008 4.063 5.478 . 0 0 "[ . 1 . 2]" 1
418 1 10 LYS HA 1 13 LEU QB 0.000 . 4.300 3.189 2.490 3.613 . 0 0 "[ . 1 . 2]" 1
419 1 11 ASP HA 1 14 THR HB 0.000 . 5.000 3.024 2.495 4.474 . 0 0 "[ . 1 . 2]" 1
420 1 12 ASP HA 1 15 CYS QB 0.000 . 4.300 2.959 2.331 3.692 . 0 0 "[ . 1 . 2]" 1
421 1 12 ASP HA 1 15 CYS H 0.000 . 5.000 3.603 3.186 4.098 . 0 0 "[ . 1 . 2]" 1
422 1 13 LEU HA 1 16 LEU H 0.000 . 5.000 3.606 3.271 4.240 . 0 0 "[ . 1 . 2]" 1
423 1 13 LEU HA 1 17 LYS H 0.000 . 5.000 3.847 2.860 4.936 . 0 0 "[ . 1 . 2]" 1
424 1 13 LEU QB 1 17 LYS H 0.000 . 6.000 4.995 4.255 5.442 . 0 0 "[ . 1 . 2]" 1
425 1 16 LEU HA 1 19 SER H 0.000 . 5.000 4.353 2.994 5.050 0.050 7 0 "[ . 1 . 2]" 1
426 1 16 LEU QB 1 20 THR MG 0.000 . 5.800 3.224 1.841 4.168 . 0 0 "[ . 1 . 2]" 1
427 1 16 LEU QD 1 20 THR HA 0.000 . 5.300 2.877 2.143 3.756 . 0 0 "[ . 1 . 2]" 1
428 1 16 LEU QD 1 20 THR HB 0.000 . 5.300 3.289 2.167 3.839 . 0 0 "[ . 1 . 2]" 1
429 1 17 LYS HA 1 20 THR MG 0.000 . 6.500 3.948 2.296 5.430 . 0 0 "[ . 1 . 2]" 1
430 1 17 LYS H 1 20 THR MG 0.000 . 6.500 4.138 1.683 5.302 . 0 0 "[ . 1 . 2]" 1
431 1 20 THR HA 1 22 PHE H 0.000 . 5.000 3.701 2.882 5.013 0.013 17 0 "[ . 1 . 2]" 1
432 1 20 THR MG 1 22 PHE H 0.000 . 6.500 3.456 2.049 5.171 . 0 0 "[ . 1 . 2]" 1
433 1 20 THR MG 1 23 ASP HA 0.000 . 6.500 4.122 2.542 5.327 . 0 0 "[ . 1 . 2]" 1
434 1 22 PHE HA 1 26 GLU QB 0.000 . 5.000 3.145 2.552 3.674 . 0 0 "[ . 1 . 2]" 1
435 1 22 PHE QD 1 26 GLU QB 0.000 . 4.900 2.848 2.110 3.989 . 0 0 "[ . 1 . 2]" 1
436 1 23 ASP HA 1 26 GLU H 0.000 . 5.000 4.817 4.535 5.198 0.198 11 0 "[ . 1 . 2]" 1
437 1 24 ARG HA 1 27 ILE HB 0.000 . 5.000 4.129 2.529 4.919 . 0 0 "[ . 1 . 2]" 1
438 1 24 ARG HA 1 27 ILE H 0.000 . 5.000 3.728 3.182 4.253 . 0 0 "[ . 1 . 2]" 1
439 1 25 ARG HA 1 28 GLN QB 0.000 . 7.000 3.041 2.338 3.914 . 0 0 "[ . 1 . 2]" 1
440 1 25 ARG HA 1 28 GLN H 0.000 . 5.000 4.015 3.381 4.529 . 0 0 "[ . 1 . 2]" 1
441 1 26 GLU HA 1 29 GLN QB 0.000 . 6.000 2.912 2.296 3.566 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLU HA 1 29 GLN H 0.000 . 5.000 3.310 3.058 3.871 . 0 0 "[ . 1 . 2]" 1
443 1 27 ILE HA 1 30 TRP QB 0.000 . 6.000 2.841 2.382 3.386 . 0 0 "[ . 1 . 2]" 1
444 1 27 ILE HA 1 30 TRP H 0.000 . 5.000 3.521 3.175 3.981 . 0 0 "[ . 1 . 2]" 1
445 1 28 GLN HA 1 31 HIS H 0.000 . 5.000 3.458 3.050 3.749 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLN HA 1 32 LYS QB 0.000 . 6.000 3.882 3.110 5.311 . 0 0 "[ . 1 . 2]" 1
447 1 30 TRP HA 1 33 GLY H 0.000 . 5.000 3.324 2.959 3.597 . 0 0 "[ . 1 . 2]" 1
448 1 30 TRP HA 1 34 PHE H 0.000 . 5.000 3.756 2.721 4.245 . 0 0 "[ . 1 . 2]" 1
449 1 31 HIS HA 1 34 PHE QB 0.000 . 6.000 2.754 2.127 3.637 . 0 0 "[ . 1 . 2]" 1
450 1 31 HIS HA 1 34 PHE H 0.000 . 5.000 3.502 3.081 4.225 . 0 0 "[ . 1 . 2]" 1
451 1 31 HIS HA 1 35 LEU H 0.000 . 5.000 4.213 3.621 4.524 . 0 0 "[ . 1 . 2]" 1
452 1 32 LYS HA 1 35 LEU QB 0.000 . 4.300 2.937 2.588 3.283 . 0 0 "[ . 1 . 2]" 1
453 1 32 LYS HA 1 35 LEU H 0.000 . 3.500 3.563 3.506 3.625 0.125 3 0 "[ . 1 . 2]" 1
454 1 32 LYS HA 1 35 LEU MD1 0.000 . 4.800 3.382 2.789 3.797 . 0 0 "[ . 1 . 2]" 1
455 1 33 GLY QA 1 36 ARG QB 0.000 . 5.300 2.525 2.131 2.849 . 0 0 "[ . 1 . 2]" 1
456 1 33 GLY QA 1 36 ARG H 0.000 . 4.500 3.391 3.198 3.627 . 0 0 "[ . 1 . 2]" 1
457 1 34 PHE HA 1 37 ASP QB 0.000 . 6.000 3.241 2.891 4.345 . 0 0 "[ . 1 . 2]" 1
458 1 34 PHE HA 1 37 ASP H 0.000 . 3.500 3.544 3.465 3.592 0.092 4 0 "[ . 1 . 2]" 1
459 1 34 PHE HA 1 38 CYS H 0.000 . 5.000 4.320 3.841 4.754 . 0 0 "[ . 1 . 2]" 1
460 1 35 LEU HA 1 38 CYS QB 0.000 . 6.000 3.419 3.136 4.256 . 0 0 "[ . 1 . 2]" 1
461 1 35 LEU HA 1 38 CYS H 0.000 . 5.000 3.109 2.963 3.283 . 0 0 "[ . 1 . 2]" 1
462 1 35 LEU HA 1 39 PRO HA 0.000 . 3.500 3.298 2.667 3.553 0.053 19 0 "[ . 1 . 2]" 1
463 1 35 LEU QB 1 38 CYS H 0.000 . 6.000 4.510 4.394 4.771 . 0 0 "[ . 1 . 2]" 1
464 1 35 LEU QB 1 39 PRO HA 0.000 . 4.300 3.337 2.564 3.563 . 0 0 "[ . 1 . 2]" 1
465 1 36 ARG HA 1 38 CYS H 0.000 . 5.000 4.059 3.785 4.388 . 0 0 "[ . 1 . 2]" 1
466 1 36 ARG HA 1 39 PRO HA 0.000 . 5.000 4.794 4.531 4.987 . 0 0 "[ . 1 . 2]" 1
467 1 38 CYS HA 1 40 SER H 0.000 . 5.000 3.241 2.964 4.958 . 0 0 "[ . 1 . 2]" 1
468 1 38 CYS QB 1 41 GLY QA 0.000 . 5.300 3.722 2.660 4.091 . 0 0 "[ . 1 . 2]" 1
469 1 38 CYS QB 1 42 GLN HA 0.000 . 6.000 5.332 4.739 5.446 . 0 0 "[ . 1 . 2]" 1
470 1 39 PRO HA 1 41 GLY H 0.000 . 5.000 3.694 3.287 4.098 . 0 0 "[ . 1 . 2]" 1
471 1 40 SER H 1 42 GLN H 0.000 . 5.000 4.025 3.587 4.728 . 0 0 "[ . 1 . 2]" 1
472 1 45 ARG HA 1 48 PHE QB 0.000 . 4.300 2.498 2.184 2.809 . 0 0 "[ . 1 . 2]" 1
473 1 45 ARG HA 1 48 PHE H 0.000 . 5.000 3.586 3.234 3.900 . 0 0 "[ . 1 . 2]" 1
474 1 45 ARG HA 1 49 VAL H 0.000 . 5.000 3.927 3.466 4.441 . 0 0 "[ . 1 . 2]" 1
475 1 43 LEU HA 1 48 PHE H 0.000 . 5.000 5.085 4.906 5.168 0.168 12 0 "[ . 1 . 2]" 1
476 1 44 ALA HA 1 47 ASP H 0.000 . 5.000 4.796 4.463 5.029 0.029 5 0 "[ . 1 . 2]" 1
477 1 46 GLU H 1 48 PHE H 0.000 . 5.000 4.489 4.152 4.692 . 0 0 "[ . 1 . 2]" 1
478 1 47 ASP HA 1 50 LYS QB 0.000 . 4.300 2.386 2.124 2.719 . 0 0 "[ . 1 . 2]" 1
479 1 47 ASP HA 1 50 LYS H 0.000 . 5.000 3.462 3.132 3.689 . 0 0 "[ . 1 . 2]" 1
480 1 48 PHE HA 1 51 ILE HB 0.000 . 5.000 3.184 2.672 3.886 . 0 0 "[ . 1 . 2]" 1
481 1 48 PHE HA 1 51 ILE MD 0.000 . 4.400 2.719 2.390 3.389 . 0 0 "[ . 1 . 2]" 1
482 1 48 PHE HA 1 51 ILE H 0.000 . 5.000 4.000 3.648 4.374 . 0 0 "[ . 1 . 2]" 1
483 1 48 PHE H 1 50 LYS H 0.000 . 5.000 4.498 4.223 4.801 . 0 0 "[ . 1 . 2]" 1
484 1 49 VAL HA 1 52 TYR QB 0.000 . 5.300 2.631 2.242 3.363 . 0 0 "[ . 1 . 2]" 1
485 1 49 VAL HA 1 52 TYR H 0.000 . 5.000 3.472 3.164 3.885 . 0 0 "[ . 1 . 2]" 1
486 1 51 ILE HA 1 54 GLN H 0.000 . 5.000 3.605 3.312 4.320 . 0 0 "[ . 1 . 2]" 1
487 1 51 ILE HA 1 55 PHE H 0.000 . 5.000 4.460 3.658 4.699 . 0 0 "[ . 1 . 2]" 1
488 1 51 ILE MG 1 55 PHE H 0.000 . 6.500 4.229 3.740 4.464 . 0 0 "[ . 1 . 2]" 1
489 1 52 TYR HA 1 55 PHE H 0.000 . 5.000 3.474 3.183 3.843 . 0 0 "[ . 1 . 2]" 1
490 1 52 TYR HA 1 56 PHE H 0.000 . 5.000 4.443 3.664 4.669 . 0 0 "[ . 1 . 2]" 1
491 1 53 LYS HA 1 56 PHE H 0.000 . 5.000 3.308 3.006 3.703 . 0 0 "[ . 1 . 2]" 1
492 1 53 LYS HA 1 57 PRO HA 0.000 . 6.000 3.834 2.533 5.974 . 0 0 "[ . 1 . 2]" 1
493 1 54 GLN HA 1 57 PRO QG 0.000 . 6.000 3.322 2.549 5.141 . 0 0 "[ . 1 . 2]" 1
494 1 55 PHE HA 1 57 PRO QD 0.000 . 4.300 3.470 3.282 3.666 . 0 0 "[ . 1 . 2]" 1
495 1 55 PHE HA 1 57 PRO QG 0.000 . 6.000 4.843 4.620 5.106 . 0 0 "[ . 1 . 2]" 1
496 1 57 PRO HA 1 59 GLY H 0.000 . 5.000 3.712 2.991 5.003 0.003 16 0 "[ . 1 . 2]" 1
497 1 61 PRO HA 1 64 PHE H 0.000 . 3.500 3.307 2.996 3.585 0.085 1 0 "[ . 1 . 2]" 1
498 1 61 PRO HA 1 65 ALA H 0.000 . 5.000 4.266 3.874 4.866 . 0 0 "[ . 1 . 2]" 1
499 1 61 PRO QB 1 65 ALA H 0.000 . 6.000 3.546 3.087 4.068 . 0 0 "[ . 1 . 2]" 1
500 1 62 GLU HA 1 65 ALA MB 0.000 . 4.800 3.104 2.588 3.829 . 0 0 "[ . 1 . 2]" 1
501 1 62 GLU HA 1 65 ALA H 0.000 . 5.000 3.906 3.482 4.127 . 0 0 "[ . 1 . 2]" 1
502 1 62 GLU QB 1 65 ALA H 0.000 . 6.000 5.282 4.919 5.437 . 0 0 "[ . 1 . 2]" 1
503 1 63 ASP HA 1 66 ASN QB 0.000 . 6.000 2.472 2.161 3.046 . 0 0 "[ . 1 . 2]" 1
504 1 63 ASP HA 1 66 ASN H 0.000 . 5.000 3.499 3.138 3.809 . 0 0 "[ . 1 . 2]" 1
505 1 64 PHE HA 1 67 HIS QB 0.000 . 4.300 2.754 2.400 3.146 . 0 0 "[ . 1 . 2]" 1
506 1 64 PHE HA 1 67 HIS H 0.000 . 5.000 3.543 3.124 3.871 . 0 0 "[ . 1 . 2]" 1
507 1 65 ALA HA 1 68 LEU QB 0.000 . 6.000 2.969 2.600 3.460 . 0 0 "[ . 1 . 2]" 1
508 1 65 ALA HA 1 68 LEU H 0.000 . 5.000 3.887 3.620 4.395 . 0 0 "[ . 1 . 2]" 1
509 1 65 ALA HA 1 69 PHE H 0.000 . 5.000 3.944 3.639 4.319 . 0 0 "[ . 1 . 2]" 1
510 1 66 ASN HA 1 69 PHE H 0.000 . 5.000 3.871 3.545 4.226 . 0 0 "[ . 1 . 2]" 1
511 1 66 ASN HA 1 69 PHE QB 0.000 . 4.800 2.859 2.289 3.372 . 0 0 "[ . 1 . 2]" 1
512 1 67 HIS HA 1 70 THR HB 0.000 . 5.000 4.058 2.851 4.992 . 0 0 "[ . 1 . 2]" 1
513 1 67 HIS HA 1 70 THR H 0.000 . 5.000 4.028 3.688 4.360 . 0 0 "[ . 1 . 2]" 1
514 1 68 LEU HA 1 71 VAL HB 0.000 . 5.000 3.569 2.435 4.992 . 0 0 "[ . 1 . 2]" 1
515 1 68 LEU HA 1 71 VAL H 0.000 . 5.000 3.625 3.129 4.119 . 0 0 "[ . 1 . 2]" 1
516 1 69 PHE HA 1 71 VAL H 0.000 . 5.000 4.925 4.624 5.063 0.063 19 0 "[ . 1 . 2]" 1
517 1 69 PHE HA 1 72 PHE QB 0.000 . 5.000 2.816 2.519 3.193 . 0 0 "[ . 1 . 2]" 1
518 1 69 PHE HA 1 72 PHE H 0.000 . 5.000 3.996 3.597 4.430 . 0 0 "[ . 1 . 2]" 1
519 1 69 PHE QB 1 72 PHE H 0.000 . 6.000 5.177 4.879 5.418 . 0 0 "[ . 1 . 2]" 1
520 1 74 LYS QB 1 76 ASN H 0.000 . 5.000 4.445 4.148 4.617 . 0 0 "[ . 1 . 2]" 1
521 1 76 ASN HA 1 78 GLY H 0.000 . 5.000 3.650 3.097 4.395 . 0 0 "[ . 1 . 2]" 1
522 1 76 ASN H 1 78 GLY H 0.000 . 5.000 4.719 3.226 5.027 0.027 13 0 "[ . 1 . 2]" 1
523 1 82 PHE HA 1 85 PHE QD 0.000 . 7.000 4.082 3.522 4.548 . 0 0 "[ . 1 . 2]" 1
524 1 82 PHE HA 1 85 PHE H 0.000 . 5.000 3.477 3.080 4.017 . 0 0 "[ . 1 . 2]" 1
525 1 82 PHE HA 1 86 ILE MG 0.000 . 6.500 4.665 4.104 5.337 . 0 0 "[ . 1 . 2]" 1
526 1 82 PHE QD 1 86 ILE MG 0.000 . 6.800 4.012 3.170 4.805 . 0 0 "[ . 1 . 2]" 1
527 1 83 GLU HA 1 86 ILE HB 0.000 . 5.000 4.903 4.362 5.114 0.114 11 0 "[ . 1 . 2]" 1
528 1 83 GLU HA 1 86 ILE QG 0.000 . 4.800 2.411 2.284 2.480 . 0 0 "[ . 1 . 2]" 1
529 1 83 GLU HA 1 86 ILE MG 0.000 . 6.500 4.357 3.839 4.927 . 0 0 "[ . 1 . 2]" 1
530 1 83 GLU HA 1 86 ILE H 0.000 . 5.000 3.958 3.648 4.290 . 0 0 "[ . 1 . 2]" 1
531 1 84 GLU HA 1 87 THR H 0.000 . 5.000 3.592 3.254 3.815 . 0 0 "[ . 1 . 2]" 1
532 1 85 PHE HA 1 88 VAL HB 0.000 . 4.300 3.803 3.098 4.650 0.350 13 0 "[ . 1 . 2]" 1
533 1 85 PHE HA 1 88 VAL H 0.000 . 5.000 3.677 3.508 3.857 . 0 0 "[ . 1 . 2]" 1
534 1 85 PHE HA 1 89 LEU MD1 0.000 . 6.500 4.323 3.747 5.241 . 0 0 "[ . 1 . 2]" 1
535 1 85 PHE QD 1 89 LEU MD2 0.000 . 6.800 3.603 2.533 4.512 . 0 0 "[ . 1 . 2]" 1
536 1 85 PHE QD 1 89 LEU MD1 0.000 . 6.800 3.495 3.120 3.867 . 0 0 "[ . 1 . 2]" 1
537 1 85 PHE QE 1 89 LEU MD2 0.000 . 6.800 2.702 1.968 3.582 . 0 0 "[ . 1 . 2]" 1
538 1 85 PHE QE 1 89 LEU MD1 0.000 . 6.800 2.716 2.138 3.187 . 0 0 "[ . 1 . 2]" 1
539 1 86 ILE HA 1 89 LEU QB 0.000 . 6.000 2.162 2.047 2.394 . 0 0 "[ . 1 . 2]" 1
540 1 86 ILE HA 1 89 LEU MD2 0.000 . 4.800 2.654 2.111 3.498 . 0 0 "[ . 1 . 2]" 1
541 1 86 ILE HA 1 89 LEU MD1 0.000 . 6.500 3.180 2.855 3.698 . 0 0 "[ . 1 . 2]" 1
542 1 86 ILE HA 1 89 LEU H 0.000 . 5.000 3.174 2.913 3.380 . 0 0 "[ . 1 . 2]" 1
543 1 86 ILE MG 1 89 LEU MD1 0.000 . 6.300 4.128 4.037 4.190 . 0 0 "[ . 1 . 2]" 1
544 1 86 ILE MG 1 89 LEU HG 0.000 . 6.500 5.280 5.227 5.335 . 0 0 "[ . 1 . 2]" 1
545 1 87 THR HA 1 90 SER QB 0.000 . 6.000 2.947 2.388 3.658 . 0 0 "[ . 1 . 2]" 1
546 1 87 THR HA 1 90 SER H 0.000 . 5.000 3.537 3.142 3.841 . 0 0 "[ . 1 . 2]" 1
547 1 88 VAL HA 1 91 THR HB 0.000 . 5.000 3.464 2.538 4.966 . 0 0 "[ . 1 . 2]" 1
548 1 88 VAL HA 1 91 THR H 0.000 . 5.000 3.676 3.240 4.107 . 0 0 "[ . 1 . 2]" 1
549 1 89 LEU HA 1 92 THR HB 0.000 . 5.000 3.272 2.208 4.436 . 0 0 "[ . 1 . 2]" 1
550 1 89 LEU HA 1 92 THR H 0.000 . 5.000 3.698 3.281 4.102 . 0 0 "[ . 1 . 2]" 1
551 1 89 LEU HA 1 93 SER H 0.000 . 5.000 4.784 4.120 5.049 0.049 1 0 "[ . 1 . 2]" 1
552 1 89 LEU MD1 1 92 THR HB 0.000 . 6.500 4.604 3.872 5.327 . 0 0 "[ . 1 . 2]" 1
553 1 89 LEU MD1 1 92 THR MG 0.000 . 6.300 4.008 3.775 4.155 . 0 0 "[ . 1 . 2]" 1
554 1 90 SER HA 1 93 SER H 0.000 . 3.500 3.354 3.071 3.573 0.073 5 0 "[ . 1 . 2]" 1
555 1 99 GLU HA 1 102 SER QB 0.000 . 4.300 3.197 2.548 3.708 . 0 0 "[ . 1 . 2]" 1
556 1 100 LYS HA 1 103 TRP QB 0.000 . 4.300 2.523 2.029 2.843 . 0 0 "[ . 1 . 2]" 1
557 1 100 LYS HA 1 103 TRP H 0.000 . 5.000 3.573 3.088 3.935 . 0 0 "[ . 1 . 2]" 1
558 1 101 LEU HA 1 104 ALA H 0.000 . 5.000 3.642 3.363 4.042 . 0 0 "[ . 1 . 2]" 1
559 1 101 LEU HA 1 104 ALA MB 0.000 . 6.500 2.846 2.490 3.168 . 0 0 "[ . 1 . 2]" 1
560 1 102 SER HA 1 105 PHE H 0.000 . 5.000 3.577 3.277 3.939 . 0 0 "[ . 1 . 2]" 1
561 1 102 SER HA 1 105 PHE QB 0.000 . 6.000 2.954 2.671 3.428 . 0 0 "[ . 1 . 2]" 1
562 1 103 TRP HA 1 106 GLU QB 0.000 . 4.300 2.914 2.583 3.394 . 0 0 "[ . 1 . 2]" 1
563 1 103 TRP HA 1 106 GLU H 0.000 . 5.000 3.633 3.404 4.158 . 0 0 "[ . 1 . 2]" 1
564 1 103 TRP HH2 1 107 LEU MD1 0.000 . 6.500 2.898 2.149 4.474 . 0 0 "[ . 1 . 2]" 1
565 1 103 TRP HH2 1 107 LEU MD2 0.000 . 6.500 4.968 3.402 5.457 . 0 0 "[ . 1 . 2]" 1
566 1 103 TRP HZ3 1 107 LEU MD2 0.000 . 6.500 5.861 4.679 6.624 0.124 13 0 "[ . 1 . 2]" 1
567 1 104 ALA HA 1 107 LEU QB 0.000 . 4.300 2.718 2.315 3.319 . 0 0 "[ . 1 . 2]" 1
568 1 104 ALA HA 1 107 LEU MD1 0.000 . 6.500 3.512 2.712 4.174 . 0 0 "[ . 1 . 2]" 1
569 1 104 ALA HA 1 107 LEU MD2 0.000 . 6.500 4.992 4.511 5.199 . 0 0 "[ . 1 . 2]" 1
570 1 104 ALA HA 1 107 LEU H 0.000 . 5.000 3.565 3.179 4.334 . 0 0 "[ . 1 . 2]" 1
571 1 104 ALA HA 1 108 TYR H 0.000 . 5.000 4.293 3.929 4.676 . 0 0 "[ . 1 . 2]" 1
572 1 105 PHE HA 1 108 TYR QB 0.000 . 4.300 2.742 2.319 3.077 . 0 0 "[ . 1 . 2]" 1
573 1 105 PHE HA 1 109 ASP H 0.000 . 5.000 4.359 3.674 4.900 . 0 0 "[ . 1 . 2]" 1
574 1 106 GLU HA 1 109 ASP QB 0.000 . 4.300 2.831 2.337 3.136 . 0 0 "[ . 1 . 2]" 1
575 1 106 GLU HA 1 109 ASP H 0.000 . 5.000 3.530 3.192 3.833 . 0 0 "[ . 1 . 2]" 1
576 1 108 TYR HA 1 110 LEU H 0.000 . 5.000 3.964 3.623 4.418 . 0 0 "[ . 1 . 2]" 1
577 1 112 HIS HA 1 114 GLY H 0.000 . 5.000 3.154 3.007 3.442 . 0 0 "[ . 1 . 2]" 1
578 1 112 HIS H 1 114 GLY H 0.000 . 5.000 4.568 3.864 5.058 0.058 15 0 "[ . 1 . 2]" 1
579 1 113 ASP HA 1 115 TYR H 0.000 . 5.000 3.939 3.822 4.247 . 0 0 "[ . 1 . 2]" 1
580 1 113 ASP H 1 115 TYR H 0.000 . 3.500 3.423 2.995 3.637 0.137 8 0 "[ . 1 . 2]" 1
581 1 116 ILE HA 1 120 GLU QB 0.000 . 6.000 3.974 3.572 4.802 . 0 0 "[ . 1 . 2]" 1
582 1 116 ILE MG 1 120 GLU QB 0.000 . 5.800 2.781 2.083 4.019 . 0 0 "[ . 1 . 2]" 1
583 1 116 ILE MG 1 120 GLU H 0.000 . 6.500 4.417 4.094 4.962 . 0 0 "[ . 1 . 2]" 1
584 1 117 THR H 1 120 GLU QB 0.000 . 6.000 2.643 1.982 3.901 . 0 0 "[ . 1 . 2]" 1
585 1 117 THR H 1 120 GLU QG 0.000 . 4.500 3.203 1.940 3.660 . 0 0 "[ . 1 . 2]" 1
586 1 118 PHE HA 1 121 MET QB 0.000 . 5.000 2.649 2.190 3.178 . 0 0 "[ . 1 . 2]" 1
587 1 119 ASP HA 1 122 LEU QB 0.000 . 4.300 3.079 2.687 3.590 . 0 0 "[ . 1 . 2]" 1
588 1 119 ASP HA 1 122 LEU H 0.000 . 5.000 3.962 3.483 4.449 . 0 0 "[ . 1 . 2]" 1
589 1 120 GLU HA 1 123 THR HB 0.000 . 6.000 3.195 2.655 4.809 . 0 0 "[ . 1 . 2]" 1
590 1 120 GLU HA 1 123 THR H 0.000 . 5.000 3.719 3.319 4.324 . 0 0 "[ . 1 . 2]" 1
591 1 120 GLU HA 1 124 ILE MD 0.000 . 6.500 4.588 3.522 5.353 . 0 0 "[ . 1 . 2]" 1
592 1 121 MET HA 1 124 ILE HB 0.000 . 3.300 3.159 2.801 3.381 0.081 3 0 "[ . 1 . 2]" 1
593 1 121 MET HA 1 124 ILE MG 0.000 . 6.500 4.520 3.985 4.754 . 0 0 "[ . 1 . 2]" 1
594 1 121 MET HA 1 124 ILE H 0.000 . 5.000 3.655 3.187 4.097 . 0 0 "[ . 1 . 2]" 1
595 1 121 MET HA 1 125 VAL QG 0.000 . 7.400 3.175 2.568 3.644 . 0 0 "[ . 1 . 2]" 1
596 1 122 LEU HA 1 125 VAL HB 0.000 . 3.300 2.472 2.183 2.942 . 0 0 "[ . 1 . 2]" 1
597 1 122 LEU HA 1 125 VAL H 0.000 . 5.000 3.854 3.560 4.240 . 0 0 "[ . 1 . 2]" 1
598 1 122 LEU QD 1 126 ALA H 0.000 . 7.400 3.751 3.011 4.901 . 0 0 "[ . 1 . 2]" 1
599 1 122 LEU HG 1 126 ALA H 0.000 . 5.000 4.385 4.110 4.794 . 0 0 "[ . 1 . 2]" 1
600 1 123 THR HA 1 126 ALA MB 0.000 . 6.500 2.922 2.410 3.233 . 0 0 "[ . 1 . 2]" 1
601 1 123 THR HA 1 126 ALA H 0.000 . 5.000 3.866 3.553 4.050 . 0 0 "[ . 1 . 2]" 1
602 1 124 ILE HA 1 127 SER QB 0.000 . 4.300 2.599 2.183 3.137 . 0 0 "[ . 1 . 2]" 1
603 1 124 ILE HA 1 127 SER H 0.000 . 5.000 3.181 2.966 3.430 . 0 0 "[ . 1 . 2]" 1
604 1 124 ILE MG 1 127 SER QB 0.000 . 7.500 3.267 2.935 3.977 . 0 0 "[ . 1 . 2]" 1
605 1 124 ILE MG 1 128 VAL HA 0.000 . 6.500 5.351 4.879 5.549 . 0 0 "[ . 1 . 2]" 1
606 1 124 ILE MG 1 128 VAL MG2 0.000 . 8.000 4.601 2.603 5.231 . 0 0 "[ . 1 . 2]" 1
607 1 125 VAL HA 1 128 VAL HA 0.000 . 6.000 5.772 4.896 6.045 0.045 11 0 "[ . 1 . 2]" 1
608 1 125 VAL HA 1 128 VAL HB 0.000 . 5.000 4.075 2.428 4.900 . 0 0 "[ . 1 . 2]" 1
609 1 125 VAL HA 1 128 VAL H 0.000 . 5.000 3.465 3.144 3.709 . 0 0 "[ . 1 . 2]" 1
610 1 126 ALA HA 1 129 TYR QB 0.000 . 4.300 2.681 2.303 3.587 . 0 0 "[ . 1 . 2]" 1
611 1 126 ALA HA 1 129 TYR H 0.000 . 5.000 3.492 3.275 4.062 . 0 0 "[ . 1 . 2]" 1
612 1 127 SER HA 1 130 LYS QB 0.000 . 4.300 3.024 2.489 3.978 . 0 0 "[ . 1 . 2]" 1
613 1 127 SER HA 1 130 LYS H 0.000 . 5.000 3.522 3.247 3.985 . 0 0 "[ . 1 . 2]" 1
614 1 143 ALA MB 1 145 PRO HA 0.000 . 4.800 4.194 4.064 4.365 . 0 0 "[ . 1 . 2]" 1
615 1 143 ALA MB 1 146 GLU H 0.000 . 6.500 5.308 5.172 5.425 . 0 0 "[ . 1 . 2]" 1
616 1 143 ALA MB 1 147 MET QB 0.000 . 5.800 3.017 2.304 3.706 . 0 0 "[ . 1 . 2]" 1
617 1 143 ALA MB 1 147 MET H 0.000 . 6.500 4.403 3.749 5.100 . 0 0 "[ . 1 . 2]" 1
618 1 144 THR HA 1 146 GLU H 0.000 . 5.000 3.632 3.488 3.835 . 0 0 "[ . 1 . 2]" 1
619 1 144 THR HB 1 146 GLU H 0.000 . 5.000 2.703 2.206 3.951 . 0 0 "[ . 1 . 2]" 1
620 1 144 THR MG 1 146 GLU H 0.000 . 6.500 3.785 1.734 4.353 . 0 0 "[ . 1 . 2]" 1
621 1 144 THR MG 1 147 MET H 0.000 . 6.500 4.448 2.765 5.247 . 0 0 "[ . 1 . 2]" 1
622 1 144 THR H 1 147 MET QB 0.000 . 4.500 3.875 3.498 4.174 . 0 0 "[ . 1 . 2]" 1
623 1 144 THR H 1 147 MET H 0.000 . 5.000 4.295 3.816 4.716 . 0 0 "[ . 1 . 2]" 1
624 1 145 PRO HA 1 148 ARG QG 0.000 . 6.000 4.231 2.677 5.099 . 0 0 "[ . 1 . 2]" 1
625 1 146 GLU HA 1 149 VAL HB 0.000 . 5.000 2.646 2.158 5.062 0.062 9 0 "[ . 1 . 2]" 1
626 1 146 GLU HA 1 149 VAL MG1 0.000 . 6.500 3.181 2.135 3.580 . 0 0 "[ . 1 . 2]" 1
627 1 146 GLU HA 1 149 VAL MG2 0.000 . 4.800 3.212 2.109 3.992 . 0 0 "[ . 1 . 2]" 1
628 1 146 GLU HA 1 149 VAL H 0.000 . 5.000 3.571 3.207 3.815 . 0 0 "[ . 1 . 2]" 1
629 1 146 GLU H 1 149 VAL MG1 0.000 . 6.500 5.356 4.203 5.553 . 0 0 "[ . 1 . 2]" 1
630 1 147 MET HA 1 150 LYS QB 0.000 . 4.300 2.916 2.617 3.261 . 0 0 "[ . 1 . 2]" 1
631 1 147 MET HA 1 150 LYS H 0.000 . 3.500 3.466 3.219 3.563 0.063 9 0 "[ . 1 . 2]" 1
632 1 148 ARG HA 1 151 LYS QB 0.000 . 4.300 2.690 2.267 3.107 . 0 0 "[ . 1 . 2]" 1
633 1 148 ARG HA 1 151 LYS H 0.000 . 5.000 3.358 3.166 3.741 . 0 0 "[ . 1 . 2]" 1
634 1 148 ARG QB 1 151 LYS H 0.000 . 6.000 4.842 4.519 5.241 . 0 0 "[ . 1 . 2]" 1
635 1 148 ARG QB 1 152 ILE MD 0.000 . 7.500 3.465 2.170 4.329 . 0 0 "[ . 1 . 2]" 1
636 1 148 ARG QG 1 152 ILE MD 0.000 . 5.800 3.310 1.908 4.174 . 0 0 "[ . 1 . 2]" 1
637 1 149 VAL HA 1 152 ILE HB 0.000 . 5.000 2.734 2.232 3.246 . 0 0 "[ . 1 . 2]" 1
638 1 149 VAL HA 1 152 ILE MD 0.000 . 6.500 3.035 2.505 3.386 . 0 0 "[ . 1 . 2]" 1
639 1 149 VAL HA 1 152 ILE H 0.000 . 5.000 3.534 3.238 3.896 . 0 0 "[ . 1 . 2]" 1
640 1 149 VAL QG 1 152 ILE MD 0.000 . 6.600 3.551 3.134 3.856 . 0 0 "[ . 1 . 2]" 1
641 1 149 VAL QG 1 153 PHE QD 0.000 . 7.700 3.856 3.273 4.696 . 0 0 "[ . 1 . 2]" 1
642 1 150 LYS HA 1 153 PHE QB 0.000 . 4.300 3.194 2.815 3.462 . 0 0 "[ . 1 . 2]" 1
643 1 150 LYS HA 1 153 PHE H 0.000 . 5.000 3.997 3.712 4.387 . 0 0 "[ . 1 . 2]" 1
644 1 151 LYS HA 1 154 LYS QB 0.000 . 4.300 2.772 2.433 3.254 . 0 0 "[ . 1 . 2]" 1
645 1 151 LYS HA 1 154 LYS H 0.000 . 5.000 3.766 3.274 4.269 . 0 0 "[ . 1 . 2]" 1
646 1 152 ILE HA 1 155 LEU QB 0.000 . 4.300 2.999 2.278 3.409 . 0 0 "[ . 1 . 2]" 1
647 1 152 ILE HA 1 155 LEU H 0.000 . 5.000 3.706 3.183 4.163 . 0 0 "[ . 1 . 2]" 1
648 1 152 ILE MG 1 156 MET QG 0.000 . 7.200 3.117 2.077 4.290 . 0 0 "[ . 1 . 2]" 1
649 1 152 ILE MG 1 156 MET H 0.000 . 6.500 4.070 3.515 4.433 . 0 0 "[ . 1 . 2]" 1
650 1 153 PHE HA 1 156 MET QB 0.000 . 4.300 2.477 1.986 3.751 . 0 0 "[ . 1 . 2]" 1
651 1 153 PHE HA 1 156 MET H 0.000 . 5.000 3.274 2.858 3.583 . 0 0 "[ . 1 . 2]" 1
652 1 157 ASP HA 1 159 ASN H 0.000 . 5.000 3.641 3.074 5.015 0.015 15 0 "[ . 1 . 2]" 1
653 1 157 ASP QB 1 159 ASN H 0.000 . 6.000 3.532 2.485 4.593 . 0 0 "[ . 1 . 2]" 1
654 1 158 LYS QB 1 160 GLU H 0.000 . 6.000 5.035 3.588 5.472 . 0 0 "[ . 1 . 2]" 1
655 1 158 LYS QG 1 160 GLU H 0.000 . 6.000 5.197 4.723 5.468 . 0 0 "[ . 1 . 2]" 1
656 1 160 GLU H 1 162 GLY H 0.000 . 5.000 4.701 3.011 5.104 0.104 1 0 "[ . 1 . 2]" 1
657 1 164 ILE MD 1 168 GLU QG 0.000 . 5.800 3.798 1.943 4.343 . 0 0 "[ . 1 . 2]" 1
658 1 165 THR HA 1 167 ASP H 0.000 . 5.000 4.555 4.053 5.052 0.052 3 0 "[ . 1 . 2]" 1
659 1 165 THR HA 1 168 GLU H 0.000 . 5.000 4.865 4.673 5.157 0.157 5 0 "[ . 1 . 2]" 1
660 1 165 THR HB 1 167 ASP H 0.000 . 4.500 3.209 2.598 4.094 . 0 0 "[ . 1 . 2]" 1
661 1 165 THR HB 1 168 GLU H 0.000 . 4.500 3.357 2.592 4.452 . 0 0 "[ . 1 . 2]" 1
662 1 165 THR HB 1 169 PHE H 0.000 . 6.000 4.993 4.208 6.011 0.011 17 0 "[ . 1 . 2]" 1
663 1 165 THR H 1 168 GLU QG 0.000 . 4.500 2.781 1.859 3.831 . 0 0 "[ . 1 . 2]" 1
664 1 166 LEU HA 1 168 GLU H 0.000 . 5.000 4.513 4.053 4.992 . 0 0 "[ . 1 . 2]" 1
665 1 166 LEU HA 1 169 PHE QB 0.000 . 4.300 2.446 2.101 2.802 . 0 0 "[ . 1 . 2]" 1
666 1 166 LEU HA 1 169 PHE H 0.000 . 5.000 3.414 3.120 3.818 . 0 0 "[ . 1 . 2]" 1
667 1 166 LEU QB 1 168 GLU H 0.000 . 6.000 4.809 4.329 5.324 . 0 0 "[ . 1 . 2]" 1
668 1 166 LEU MD1 1 169 PHE QB 0.000 . 7.500 2.816 2.114 3.562 . 0 0 "[ . 1 . 2]" 1
669 1 166 LEU MD1 1 169 PHE QD 0.000 . 8.500 2.754 2.093 3.741 . 0 0 "[ . 1 . 2]" 1
670 1 166 LEU MD1 1 170 ARG HA 0.000 . 6.500 3.706 3.079 4.382 . 0 0 "[ . 1 . 2]" 1
671 1 166 LEU MD1 1 170 ARG QB 0.000 . 7.500 3.107 2.069 3.942 . 0 0 "[ . 1 . 2]" 1
672 1 166 LEU MD1 1 170 ARG QG 0.000 . 5.800 2.918 1.940 4.088 . 0 0 "[ . 1 . 2]" 1
673 1 167 ASP HA 1 170 ARG QB 0.000 . 4.300 2.667 2.156 3.783 . 0 0 "[ . 1 . 2]" 1
674 1 167 ASP HA 1 170 ARG H 0.000 . 5.000 3.630 3.312 3.995 . 0 0 "[ . 1 . 2]" 1
675 1 167 ASP H 1 170 ARG QG 0.000 . 6.000 5.127 3.952 5.624 . 0 0 "[ . 1 . 2]" 1
676 1 168 GLU HA 1 171 GLU QB 0.000 . 4.300 3.364 2.631 3.893 . 0 0 "[ . 1 . 2]" 1
677 1 168 GLU HA 1 171 GLU H 0.000 . 5.000 3.891 3.534 4.490 . 0 0 "[ . 1 . 2]" 1
678 1 169 PHE HA 1 172 GLY H 0.000 . 5.000 3.653 3.169 4.149 . 0 0 "[ . 1 . 2]" 1
679 1 170 ARG HA 1 173 SER QB 0.000 . 4.800 3.257 2.160 4.045 . 0 0 "[ . 1 . 2]" 1
680 1 170 ARG HA 1 173 SER H 0.000 . 5.000 3.902 3.437 4.337 . 0 0 "[ . 1 . 2]" 1
681 1 171 GLU HA 1 174 LYS H 0.000 . 5.000 3.721 3.288 4.261 . 0 0 "[ . 1 . 2]" 1
682 1 171 GLU HA 1 174 LYS QB 0.000 . 4.800 2.682 2.143 3.259 . 0 0 "[ . 1 . 2]" 1
683 1 171 GLU HA 1 175 VAL H 0.000 . 5.000 4.002 3.600 4.515 . 0 0 "[ . 1 . 2]" 1
684 1 172 GLY QA 1 175 VAL HB 0.000 . 4.300 3.311 2.845 3.602 . 0 0 "[ . 1 . 2]" 1
685 1 172 GLY QA 1 175 VAL H 0.000 . 6.000 3.713 3.349 4.020 . 0 0 "[ . 1 . 2]" 1
686 1 173 SER HA 1 176 ASP QB 0.000 . 4.300 3.386 2.569 3.784 . 0 0 "[ . 1 . 2]" 1
687 1 173 SER HA 1 176 ASP H 0.000 . 5.000 4.090 3.033 5.019 0.019 13 0 "[ . 1 . 2]" 1
688 1 173 SER QB 1 176 ASP QB 0.000 . 7.500 4.975 4.306 5.518 . 0 0 "[ . 1 . 2]" 1
689 1 176 ASP HA 1 178 SER H 0.000 . 5.000 3.662 2.877 5.009 0.009 2 0 "[ . 1 . 2]" 1
690 1 178 SER HA 1 181 GLY H 0.000 . 5.000 3.859 3.285 5.002 0.002 8 0 "[ . 1 . 2]" 1
691 1 179 ILE HA 1 182 ALA H 0.000 . 5.000 3.769 3.102 4.108 . 0 0 "[ . 1 . 2]" 1
692 1 179 ILE HA 1 182 ALA MB 0.000 . 4.300 3.129 2.399 3.452 . 0 0 "[ . 1 . 2]" 1
693 1 8 LEU HA 1 83 GLU QB 0.000 . 6.000 4.687 3.943 5.411 . 0 0 "[ . 1 . 2]" 1
694 1 8 LEU MD1 1 27 ILE MD 0.000 . 6.300 5.359 3.218 6.274 . 0 0 "[ . 1 . 2]" 1
695 1 8 LEU MD1 1 82 PHE QB 0.000 . 5.800 2.892 2.109 4.049 . 0 0 "[ . 1 . 2]" 1
696 1 8 LEU MD1 1 82 PHE QD 0.000 . 6.800 2.558 1.940 3.796 . 0 0 "[ . 1 . 2]" 1
697 1 8 LEU MD1 1 82 PHE QE 0.000 . 6.800 3.639 2.677 5.324 . 0 0 "[ . 1 . 2]" 1
698 1 8 LEU MD1 1 83 GLU HA 0.000 . 4.800 4.776 3.511 5.263 0.463 9 0 "[ . 1 . 2]" 1
699 1 8 LEU MD1 1 83 GLU QB 0.000 . 5.800 4.158 2.551 5.158 . 0 0 "[ . 1 . 2]" 1
700 1 8 LEU MD2 1 31 HIS HA 0.000 . 6.500 5.536 4.616 6.513 0.013 15 0 "[ . 1 . 2]" 1
701 1 8 LEU MD2 1 31 HIS QB 0.000 . 5.800 4.378 3.004 6.118 0.318 6 0 "[ . 1 . 2]" 1
702 1 8 LEU MD2 1 82 PHE QB 0.000 . 5.800 3.454 2.701 3.873 . 0 0 "[ . 1 . 2]" 1
703 1 8 LEU MD2 1 82 PHE QD 0.000 . 6.400 2.563 1.940 3.780 . 0 0 "[ . 1 . 2]" 1
704 1 8 LEU MD2 1 83 GLU HA 0.000 . 6.500 3.418 2.525 3.848 . 0 0 "[ . 1 . 2]" 1
705 1 8 LEU MD2 1 83 GLU QB 0.000 . 7.500 2.944 1.968 4.002 . 0 0 "[ . 1 . 2]" 1
706 1 9 SER QB 1 24 ARG QB 0.000 . 7.000 3.962 2.351 5.434 . 0 0 "[ . 1 . 2]" 1
707 1 9 SER QB 1 27 ILE HB 0.000 . 6.000 4.713 3.388 5.408 . 0 0 "[ . 1 . 2]" 1
708 1 12 ASP HA 1 83 GLU QB 0.000 . 6.000 5.058 4.189 5.441 . 0 0 "[ . 1 . 2]" 1
709 1 13 LEU HA 1 20 THR MG 0.000 . 6.500 4.005 2.736 5.249 . 0 0 "[ . 1 . 2]" 1
710 1 13 LEU HA 1 27 ILE MD 0.000 . 6.500 4.716 3.905 5.385 . 0 0 "[ . 1 . 2]" 1
711 1 13 LEU QD 1 20 THR MG 0.000 . 7.200 2.849 2.061 3.793 . 0 0 "[ . 1 . 2]" 1
712 1 13 LEU QD 1 23 ASP HA 0.000 . 5.700 3.646 3.045 4.184 . 0 0 "[ . 1 . 2]" 1
713 1 13 LEU QD 1 24 ARG HA 0.000 . 5.300 3.349 2.451 3.838 . 0 0 "[ . 1 . 2]" 1
714 1 19 SER HA 1 95 GLY QA 0.000 . 6.000 4.969 4.402 5.353 . 0 0 "[ . 1 . 2]" 1
715 1 21 TYR QB 1 94 ARG QB 0.000 . 7.000 4.553 3.051 5.475 . 0 0 "[ . 1 . 2]" 1
716 1 21 TYR QE 1 93 SER QB 0.000 . 9.000 5.896 3.072 7.322 . 0 0 "[ . 1 . 2]" 1
717 1 22 PHE QB 1 27 ILE MD 0.000 . 7.500 3.707 2.654 5.227 . 0 0 "[ . 1 . 2]" 1
718 1 22 PHE QB 1 27 ILE H 0.000 . 6.000 3.312 2.823 3.866 . 0 0 "[ . 1 . 2]" 1
719 1 22 PHE QB 1 30 TRP HE3 0.000 . 6.000 5.186 4.622 5.360 . 0 0 "[ . 1 . 2]" 1
720 1 22 PHE QD 1 27 ILE HA 0.000 . 7.000 5.430 4.380 6.285 . 0 0 "[ . 1 . 2]" 1
721 1 22 PHE QD 1 27 ILE H 0.000 . 7.000 4.658 3.646 5.274 . 0 0 "[ . 1 . 2]" 1
722 1 22 PHE QE 1 30 TRP HZ3 0.000 . 4.900 4.347 3.539 4.754 . 0 0 "[ . 1 . 2]" 1
723 1 22 PHE QE 1 30 TRP HH2 0.000 . 7.000 4.367 2.190 6.113 . 0 0 "[ . 1 . 2]" 1
724 1 27 ILE HA 1 82 PHE HZ 0.000 . 5.000 3.896 2.987 4.711 . 0 0 "[ . 1 . 2]" 1
725 1 27 ILE MD 1 86 ILE QG 0.000 . 8.000 5.081 4.073 5.880 . 0 0 "[ . 1 . 2]" 1
726 1 27 ILE MG 1 82 PHE QD 0.000 . 8.500 4.342 3.395 5.294 . 0 0 "[ . 1 . 2]" 1
727 1 27 ILE MG 1 83 GLU HA 0.000 . 6.500 4.744 4.107 5.269 . 0 0 "[ . 1 . 2]" 1
728 1 27 ILE MG 1 86 ILE HA 0.000 . 6.500 5.340 5.138 5.465 . 0 0 "[ . 1 . 2]" 1
729 1 30 TRP HA 1 82 PHE HZ 0.000 . 6.000 4.365 3.969 4.831 . 0 0 "[ . 1 . 2]" 1
730 1 30 TRP QB 1 82 PHE HZ 0.000 . 4.300 2.301 1.966 3.098 . 0 0 "[ . 1 . 2]" 1
731 1 30 TRP HE3 1 86 ILE MG 0.000 . 4.800 2.774 1.928 3.854 . 0 0 "[ . 1 . 2]" 1
732 1 30 TRP HH2 1 86 ILE HA 0.000 . 5.000 4.764 3.885 5.178 0.178 1 0 "[ . 1 . 2]" 1
733 1 30 TRP HH2 1 89 LEU QB 0.000 . 4.300 3.702 2.988 4.046 . 0 0 "[ . 1 . 2]" 1
734 1 30 TRP HH2 1 89 LEU MD2 0.000 . 6.500 2.253 1.903 2.941 . 0 0 "[ . 1 . 2]" 1
735 1 30 TRP H 1 82 PHE HZ 0.000 . 6.000 4.250 3.565 5.341 . 0 0 "[ . 1 . 2]" 1
736 1 30 TRP HZ2 1 89 LEU MD2 0.000 . 4.800 3.191 2.652 3.925 . 0 0 "[ . 1 . 2]" 1
737 1 30 TRP HZ2 1 89 LEU MD1 0.000 . 6.500 5.126 4.086 5.465 . 0 0 "[ . 1 . 2]" 1
738 1 30 TRP HZ3 1 86 ILE HA 0.000 . 5.000 4.338 3.768 4.852 . 0 0 "[ . 1 . 2]" 1
739 1 30 TRP HZ3 1 86 ILE MG 0.000 . 6.500 2.503 2.008 3.426 . 0 0 "[ . 1 . 2]" 1
740 1 31 HIS HA 1 82 PHE HZ 0.000 . 5.000 2.693 2.189 3.488 . 0 0 "[ . 1 . 2]" 1
741 1 31 HIS H 1 82 PHE QE 0.000 . 7.000 3.532 2.791 4.559 . 0 0 "[ . 1 . 2]" 1
742 1 31 HIS H 1 82 PHE HZ 0.000 . 5.000 2.771 1.888 4.240 . 0 0 "[ . 1 . 2]" 1
743 1 34 PHE QE 1 41 GLY QA 0.000 . 6.300 2.340 2.130 3.107 . 0 0 "[ . 1 . 2]" 1
744 1 34 PHE QE 1 42 GLN HA 0.000 . 7.000 4.083 3.632 4.566 . 0 0 "[ . 1 . 2]" 1
745 1 34 PHE QE 1 51 ILE MD 0.000 . 8.500 4.764 4.004 5.555 . 0 0 "[ . 1 . 2]" 1
746 1 34 PHE QE 1 81 HIS HA 0.000 . 7.000 4.410 3.863 5.174 . 0 0 "[ . 1 . 2]" 1
747 1 34 PHE QE 1 82 PHE QB 0.000 . 6.300 3.169 2.282 4.221 . 0 0 "[ . 1 . 2]" 1
748 1 34 PHE H 1 82 PHE QE 0.000 . 5.000 4.037 3.333 4.678 . 0 0 "[ . 1 . 2]" 1
749 1 34 PHE HZ 1 41 GLY QA 0.000 . 6.000 3.825 2.933 4.520 . 0 0 "[ . 1 . 2]" 1
750 1 34 PHE HZ 1 42 GLN HA 0.000 . 5.000 3.623 2.731 4.730 . 0 0 "[ . 1 . 2]" 1
751 1 34 PHE HZ 1 43 LEU HA 0.000 . 5.000 3.707 2.847 4.667 . 0 0 "[ . 1 . 2]" 1
752 1 34 PHE HZ 1 43 LEU QB 0.000 . 3.900 2.802 2.173 3.290 . 0 0 "[ . 1 . 2]" 1
753 1 34 PHE HZ 1 43 LEU H 0.000 . 5.000 3.485 2.732 4.906 . 0 0 "[ . 1 . 2]" 1
754 1 34 PHE HZ 1 82 PHE H 0.000 . 5.000 4.537 3.448 5.137 0.137 9 0 "[ . 1 . 2]" 1
755 1 35 LEU HA 1 41 GLY QA 0.000 . 6.000 3.881 3.292 4.155 . 0 0 "[ . 1 . 2]" 1
756 1 35 LEU HA 1 41 GLY H 0.000 . 5.000 3.778 3.469 4.035 . 0 0 "[ . 1 . 2]" 1
757 1 35 LEU MD1 1 41 GLY QA 0.000 . 5.800 3.941 2.590 4.366 . 0 0 "[ . 1 . 2]" 1
758 1 35 LEU MD1 1 41 GLY H 0.000 . 6.500 5.078 3.815 5.457 . 0 0 "[ . 1 . 2]" 1
759 1 35 LEU MD2 1 41 GLY QA 0.000 . 5.400 3.087 2.127 4.039 . 0 0 "[ . 1 . 2]" 1
760 1 41 GLY QA 1 82 PHE H 0.000 . 6.000 4.536 3.522 5.311 . 0 0 "[ . 1 . 2]" 1
761 1 42 GLN HA 1 79 PHE QB 0.000 . 4.300 3.779 3.503 3.956 . 0 0 "[ . 1 . 2]" 1
762 1 42 GLN HA 1 80 ILE H 0.000 . 5.000 4.809 4.187 5.087 0.087 15 0 "[ . 1 . 2]" 1
763 1 42 GLN HA 1 81 HIS HA 0.000 . 5.000 3.181 2.288 3.614 . 0 0 "[ . 1 . 2]" 1
764 1 42 GLN HA 1 81 HIS QB 0.000 . 6.000 4.902 4.099 5.431 . 0 0 "[ . 1 . 2]" 1
765 1 42 GLN HA 1 82 PHE H 0.000 . 5.000 4.590 3.719 4.993 . 0 0 "[ . 1 . 2]" 1
766 1 42 GLN QB 1 79 PHE HA 0.000 . 6.000 4.948 4.639 5.428 . 0 0 "[ . 1 . 2]" 1
767 1 42 GLN QB 1 79 PHE QB 0.000 . 4.700 2.687 2.118 3.268 . 0 0 "[ . 1 . 2]" 1
768 1 42 GLN QB 1 80 ILE H 0.000 . 6.000 4.721 4.198 5.269 . 0 0 "[ . 1 . 2]" 1
769 1 42 GLN QB 1 81 HIS HA 0.000 . 6.000 4.937 3.813 5.374 . 0 0 "[ . 1 . 2]" 1
770 1 42 GLN QG 1 81 HIS HA 0.000 . 6.000 4.802 3.884 5.435 . 0 0 "[ . 1 . 2]" 1
771 1 43 LEU QB 1 81 HIS H 0.000 . 6.000 4.945 4.538 5.476 . 0 0 "[ . 1 . 2]" 1
772 1 43 LEU QD 1 48 PHE HA 0.000 . 7.400 2.461 2.121 3.178 . 0 0 "[ . 1 . 2]" 1
773 1 43 LEU QD 1 48 PHE QB 0.000 . 8.400 2.476 2.046 3.178 . 0 0 "[ . 1 . 2]" 1
774 1 43 LEU QD 1 48 PHE QD 0.000 . 7.700 2.402 1.929 3.441 . 0 0 "[ . 1 . 2]" 1
775 1 43 LEU QD 1 48 PHE H 0.000 . 5.900 2.278 1.733 3.221 . 0 0 "[ . 1 . 2]" 1
776 1 43 LEU QD 1 49 VAL H 0.000 . 7.400 4.472 4.055 5.086 . 0 0 "[ . 1 . 2]" 1
777 1 43 LEU QD 1 80 ILE HB 0.000 . 7.400 3.177 2.162 4.689 . 0 0 "[ . 1 . 2]" 1
778 1 43 LEU QD 1 80 ILE MD 0.000 . 7.200 3.069 2.223 4.184 . 0 0 "[ . 1 . 2]" 1
779 1 43 LEU QD 1 80 ILE MG 0.000 . 7.200 3.161 2.328 4.301 . 0 0 "[ . 1 . 2]" 1
780 1 43 LEU H 1 79 PHE QB 0.000 . 6.000 3.360 2.540 3.783 . 0 0 "[ . 1 . 2]" 1
781 1 43 LEU H 1 79 PHE HA 0.000 . 5.000 4.744 4.128 5.063 0.063 13 0 "[ . 1 . 2]" 1
782 1 43 LEU H 1 80 ILE H 0.000 . 3.500 3.163 2.518 3.520 0.020 13 0 "[ . 1 . 2]" 1
783 1 44 ALA HA 1 69 PHE HZ 0.000 . 5.000 4.302 3.809 4.597 . 0 0 "[ . 1 . 2]" 1
784 1 44 ALA HA 1 79 PHE HA 0.000 . 3.300 2.879 2.311 3.288 . 0 0 "[ . 1 . 2]" 1
785 1 44 ALA HA 1 79 PHE QB 0.000 . 6.000 3.491 2.701 4.183 . 0 0 "[ . 1 . 2]" 1
786 1 44 ALA MB 1 69 PHE HZ 0.000 . 6.500 5.341 5.113 5.437 . 0 0 "[ . 1 . 2]" 1
787 1 44 ALA MB 1 79 PHE HA 0.000 . 6.500 4.270 3.728 4.729 . 0 0 "[ . 1 . 2]" 1
788 1 45 ARG HA 1 69 PHE QB 0.000 . 6.000 4.158 3.816 4.769 . 0 0 "[ . 1 . 2]" 1
789 1 45 ARG HA 1 69 PHE HZ 0.000 . 5.000 4.758 4.306 5.093 0.093 20 0 "[ . 1 . 2]" 1
790 1 45 ARG QB 1 69 PHE HZ 0.000 . 6.000 3.873 3.440 4.557 . 0 0 "[ . 1 . 2]" 1
791 1 45 ARG QB 1 79 PHE HA 0.000 . 6.000 5.272 5.082 5.504 . 0 0 "[ . 1 . 2]" 1
792 1 45 ARG QG 1 66 ASN HA 0.000 . 6.000 3.950 3.299 5.400 . 0 0 "[ . 1 . 2]" 1
793 1 45 ARG H 1 79 PHE HA 0.000 . 5.000 4.057 3.646 4.418 . 0 0 "[ . 1 . 2]" 1
794 1 45 ARG H 1 69 PHE HZ 0.000 . 5.000 3.840 3.507 4.085 . 0 0 "[ . 1 . 2]" 1
795 1 48 PHE QB 1 65 ALA MB 0.000 . 7.500 3.477 2.581 4.208 . 0 0 "[ . 1 . 2]" 1
796 1 48 PHE QB 1 69 PHE QB 0.000 . 7.000 3.790 3.449 4.286 . 0 0 "[ . 1 . 2]" 1
797 1 48 PHE QD 1 65 ALA HA 0.000 . 7.000 3.652 2.876 4.481 . 0 0 "[ . 1 . 2]" 1
798 1 48 PHE QD 1 65 ALA MB 0.000 . 6.800 2.472 2.000 3.501 . 0 0 "[ . 1 . 2]" 1
799 1 48 PHE QD 1 69 PHE HA 0.000 . 7.000 4.772 4.033 5.325 . 0 0 "[ . 1 . 2]" 1
800 1 48 PHE QD 1 69 PHE H 0.000 . 7.000 4.459 3.748 5.286 . 0 0 "[ . 1 . 2]" 1
801 1 48 PHE QD 1 85 PHE HA 0.000 . 7.000 4.588 4.040 5.976 . 0 0 "[ . 1 . 2]" 1
802 1 48 PHE QE 1 85 PHE QD 0.000 . 7.500 2.649 2.184 4.196 . 0 0 "[ . 1 . 2]" 1
803 1 48 PHE HZ 1 65 ALA HA 0.000 . 5.000 5.060 4.995 5.148 0.148 15 0 "[ . 1 . 2]" 1
804 1 48 PHE HZ 1 69 PHE HA 0.000 . 5.000 4.979 3.999 5.095 0.095 15 0 "[ . 1 . 2]" 1
805 1 48 PHE HZ 1 69 PHE H 0.000 . 5.000 4.950 4.753 5.080 0.080 2 0 "[ . 1 . 2]" 1
806 1 48 PHE HZ 1 88 VAL HA 0.000 . 5.000 5.069 4.822 5.157 0.157 1 0 "[ . 1 . 2]" 1
807 1 48 PHE HZ 1 88 VAL HB 0.000 . 3.300 3.027 2.496 3.353 0.053 17 0 "[ . 1 . 2]" 1
808 1 48 PHE HZ 1 89 LEU MD1 0.000 . 6.500 4.100 3.122 5.078 . 0 0 "[ . 1 . 2]" 1
809 1 48 PHE HZ 1 89 LEU H 0.000 . 5.000 5.073 4.556 5.295 0.295 14 0 "[ . 1 . 2]" 1
810 1 49 VAL HA 1 65 ALA HA 0.000 . 5.000 4.857 4.451 5.061 0.061 1 0 "[ . 1 . 2]" 1
811 1 49 VAL HA 1 65 ALA MB 0.000 . 4.800 2.287 1.975 2.583 . 0 0 "[ . 1 . 2]" 1
812 1 49 VAL HB 1 65 ALA MB 0.000 . 5.800 3.678 2.385 4.305 . 0 0 "[ . 1 . 2]" 1
813 1 49 VAL H 1 65 ALA MB 0.000 . 6.500 3.720 3.216 4.203 . 0 0 "[ . 1 . 2]" 1
814 1 51 ILE MD 1 85 PHE QB 0.000 . 7.500 5.185 4.502 5.492 . 0 0 "[ . 1 . 2]" 1
815 1 51 ILE MD 1 89 LEU MD2 0.000 . 8.000 4.873 3.736 5.366 . 0 0 "[ . 1 . 2]" 1
816 1 51 ILE MD 1 89 LEU MD1 0.000 . 8.000 4.433 3.864 4.969 . 0 0 "[ . 1 . 2]" 1
817 1 51 ILE MG 1 85 PHE QE 0.000 . 6.800 3.500 2.873 4.169 . 0 0 "[ . 1 . 2]" 1
818 1 51 ILE MG 1 89 LEU MD2 0.000 . 8.000 4.417 3.196 5.173 . 0 0 "[ . 1 . 2]" 1
819 1 51 ILE MG 1 89 LEU MD1 0.000 . 6.300 3.958 3.523 4.181 . 0 0 "[ . 1 . 2]" 1
820 1 52 TYR HA 1 61 PRO QB 0.000 . 6.000 4.905 4.540 5.234 . 0 0 "[ . 1 . 2]" 1
821 1 52 TYR QB 1 61 PRO QB 0.000 . 7.000 2.565 2.159 3.096 . 0 0 "[ . 1 . 2]" 1
822 1 52 TYR QB 1 65 ALA HA 0.000 . 6.000 4.725 3.977 5.344 . 0 0 "[ . 1 . 2]" 1
823 1 52 TYR QB 1 65 ALA MB 0.000 . 5.800 2.751 2.317 3.499 . 0 0 "[ . 1 . 2]" 1
824 1 52 TYR QB 1 65 ALA H 0.000 . 6.000 4.458 4.014 4.920 . 0 0 "[ . 1 . 2]" 1
825 1 52 TYR QD 1 61 PRO HA 0.000 . 8.000 5.500 4.767 6.877 . 0 0 "[ . 1 . 2]" 1
826 1 52 TYR QD 1 65 ALA MB 0.000 . 8.500 2.944 2.350 3.490 . 0 0 "[ . 1 . 2]" 1
827 1 52 TYR QE 1 65 ALA MB 0.000 . 8.500 3.969 3.348 4.375 . 0 0 "[ . 1 . 2]" 1
828 1 52 TYR QE 1 89 LEU MD2 0.000 . 8.500 5.212 3.835 6.349 . 0 0 "[ . 1 . 2]" 1
829 1 52 TYR QE 1 89 LEU MD1 0.000 . 6.800 3.244 2.440 4.395 . 0 0 "[ . 1 . 2]" 1
830 1 53 LYS HA 1 61 PRO QB 0.000 . 6.000 4.205 3.644 5.000 . 0 0 "[ . 1 . 2]" 1
831 1 53 LYS HA 1 61 PRO QD 0.000 . 4.300 3.223 2.732 3.775 . 0 0 "[ . 1 . 2]" 1
832 1 56 PHE QB 1 61 PRO QD 0.000 . 7.000 3.641 2.817 5.105 . 0 0 "[ . 1 . 2]" 1
833 1 56 PHE QB 1 131 MET ME 0.000 . 7.500 3.980 2.662 5.343 . 0 0 "[ . 1 . 2]" 1
834 1 59 GLY QA 1 131 MET HA 0.000 . 6.000 3.367 2.205 5.002 . 0 0 "[ . 1 . 2]" 1
835 1 60 SER QB 1 130 LYS QB 0.000 . 5.300 3.409 2.501 4.029 . 0 0 "[ . 1 . 2]" 1
836 1 60 SER QB 1 130 LYS QG 0.000 . 7.000 3.652 2.145 5.323 . 0 0 "[ . 1 . 2]" 1
837 1 60 SER H 1 130 LYS HA 0.000 . 5.000 4.829 4.232 5.092 0.092 9 0 "[ . 1 . 2]" 1
838 1 60 SER H 1 131 MET HA 0.000 . 5.000 3.522 2.778 4.566 . 0 0 "[ . 1 . 2]" 1
839 1 61 PRO HA 1 130 LYS QB 0.000 . 6.000 4.570 3.678 5.378 . 0 0 "[ . 1 . 2]" 1
840 1 61 PRO HA 1 131 MET HA 0.000 . 5.000 4.372 3.366 5.091 0.091 3 0 "[ . 1 . 2]" 1
841 1 61 PRO HA 1 131 MET ME 0.000 . 4.800 3.396 2.673 3.900 . 0 0 "[ . 1 . 2]" 1
842 1 61 PRO QB 1 131 MET ME 0.000 . 5.800 2.277 2.003 2.737 . 0 0 "[ . 1 . 2]" 1
843 1 63 ASP QB 1 126 ALA MB 0.000 . 7.500 4.714 3.979 5.289 . 0 0 "[ . 1 . 2]" 1
844 1 63 ASP QB 1 127 SER QB 0.000 . 5.300 2.733 2.199 3.648 . 0 0 "[ . 1 . 2]" 1
845 1 63 ASP H 1 127 SER QB 0.000 . 6.500 4.939 4.253 5.803 . 0 0 "[ . 1 . 2]" 1
846 1 64 PHE HA 1 127 SER QB 0.000 . 4.300 2.935 2.408 3.742 . 0 0 "[ . 1 . 2]" 1
847 1 64 PHE QB 1 127 SER QB 0.000 . 5.300 2.980 2.356 4.005 . 0 0 "[ . 1 . 2]" 1
848 1 64 PHE QD 1 124 ILE MG 0.000 . 8.500 4.009 3.272 4.939 . 0 0 "[ . 1 . 2]" 1
849 1 64 PHE QD 1 127 SER QB 0.000 . 6.800 2.879 2.089 3.524 . 0 0 "[ . 1 . 2]" 1
850 1 64 PHE QE 1 107 LEU MD2 0.000 . 8.500 4.499 3.561 5.889 . 0 0 "[ . 1 . 2]" 1
851 1 64 PHE QE 1 127 SER QB 0.000 . 8.500 4.645 3.721 5.532 . 0 0 "[ . 1 . 2]" 1
852 1 64 PHE QE 1 128 VAL HA 0.000 . 7.000 4.622 2.898 6.098 . 0 0 "[ . 1 . 2]" 1
853 1 64 PHE H 1 127 SER QB 0.000 . 6.500 3.194 2.384 4.321 . 0 0 "[ . 1 . 2]" 1
854 1 65 ALA MB 1 131 MET ME 0.000 . 8.000 5.136 4.515 5.541 . 0 0 "[ . 1 . 2]" 1
855 1 67 HIS HA 1 107 LEU MD1 0.000 . 6.500 5.955 5.297 6.809 0.309 2 0 "[ . 1 . 2]" 1
856 1 67 HIS QB 1 107 LEU MD1 0.000 . 5.800 3.801 3.321 4.659 . 0 0 "[ . 1 . 2]" 1
857 1 67 HIS QB 1 124 ILE HA 0.000 . 6.000 4.492 4.220 4.783 . 0 0 "[ . 1 . 2]" 1
858 1 67 HIS QB 1 124 ILE MD 0.000 . 7.500 3.028 2.304 4.091 . 0 0 "[ . 1 . 2]" 1
859 1 67 HIS QB 1 127 SER QB 0.000 . 5.800 4.269 3.757 4.613 . 0 0 "[ . 1 . 2]" 1
860 1 67 HIS HD2 1 107 LEU MD1 0.000 . 6.500 6.391 5.611 7.308 0.808 2 2 "[ + . 1 - 2]" 1
861 1 67 HIS HD2 1 124 ILE HA 0.000 . 5.000 3.293 2.932 3.777 . 0 0 "[ . 1 . 2]" 1
862 1 67 HIS HD2 1 124 ILE MD 0.000 . 6.500 3.568 2.655 4.946 . 0 0 "[ . 1 . 2]" 1
863 1 67 HIS HD2 1 127 SER QB 0.000 . 4.800 2.889 2.524 3.649 . 0 0 "[ . 1 . 2]" 1
864 1 67 HIS HD2 1 127 SER H 0.000 . 5.000 5.004 4.783 5.109 0.109 11 0 "[ . 1 . 2]" 1
865 1 67 HIS HD2 1 128 VAL H 0.000 . 6.000 6.053 5.930 6.168 0.168 3 0 "[ . 1 . 2]" 1
866 1 67 HIS HE1 1 110 LEU HA 0.000 . 5.000 5.054 5.025 5.119 0.119 10 0 "[ . 1 . 2]" 1
867 1 67 HIS HE1 1 110 LEU MD1 0.000 . 4.800 3.237 1.954 4.806 0.006 6 0 "[ . 1 . 2]" 1
868 1 67 HIS HE1 1 123 THR MG 0.000 . 4.800 2.394 2.013 3.493 . 0 0 "[ . 1 . 2]" 1
869 1 67 HIS HE1 1 124 ILE MD 0.000 . 6.500 2.967 2.519 3.769 . 0 0 "[ . 1 . 2]" 1
870 1 68 LEU HA 1 107 LEU HA 0.000 . 5.000 5.044 4.883 5.167 0.167 6 0 "[ . 1 . 2]" 1
871 1 68 LEU HA 1 107 LEU MD1 0.000 . 4.800 3.384 2.405 5.510 0.710 10 1 "[ . + . 2]" 1
872 1 68 LEU H 1 107 LEU MD1 0.000 . 6.500 4.524 3.626 6.100 . 0 0 "[ . 1 . 2]" 1
873 1 68 LEU QD 1 88 VAL QG 0.000 . 7.300 2.225 1.731 3.112 . 0 0 "[ . 1 . 2]" 1
874 1 69 PHE HA 1 80 ILE MD 0.000 . 6.500 3.284 2.232 4.370 . 0 0 "[ . 1 . 2]" 1
875 1 69 PHE QD 1 78 GLY H 0.000 . 7.000 6.296 5.955 6.535 . 0 0 "[ . 1 . 2]" 1
876 1 69 PHE QE 1 78 GLY H 0.000 . 5.300 4.317 3.810 4.761 . 0 0 "[ . 1 . 2]" 1
877 1 69 PHE QE 1 79 PHE H 0.000 . 7.000 4.545 3.697 5.065 . 0 0 "[ . 1 . 2]" 1
878 1 69 PHE QE 1 80 ILE H 0.000 . 7.000 3.484 2.755 4.209 . 0 0 "[ . 1 . 2]" 1
879 1 69 PHE HZ 1 78 GLY H 0.000 . 5.000 4.263 3.846 4.650 . 0 0 "[ . 1 . 2]" 1
880 1 69 PHE HZ 1 79 PHE HA 0.000 . 3.300 2.871 2.214 3.250 . 0 0 "[ . 1 . 2]" 1
881 1 69 PHE HZ 1 79 PHE QB 0.000 . 6.000 4.745 4.211 5.088 . 0 0 "[ . 1 . 2]" 1
882 1 69 PHE HZ 1 79 PHE H 0.000 . 5.000 3.885 3.332 4.299 . 0 0 "[ . 1 . 2]" 1
883 1 69 PHE HZ 1 80 ILE H 0.000 . 5.000 4.142 3.012 4.689 . 0 0 "[ . 1 . 2]" 1
884 1 71 VAL MG1 1 106 GLU QB 0.000 . 7.500 3.341 2.130 5.229 . 0 0 "[ . 1 . 2]" 1
885 1 71 VAL HA 1 107 LEU HA 0.000 . 5.000 5.028 4.518 5.203 0.203 5 0 "[ . 1 . 2]" 1
886 1 71 VAL HB 1 107 LEU MD1 0.000 . 6.500 4.512 3.838 5.560 . 0 0 "[ . 1 . 2]" 1
887 1 71 VAL H 1 107 LEU HA 0.000 . 6.000 5.263 4.896 5.791 . 0 0 "[ . 1 . 2]" 1
888 1 71 VAL H 1 107 LEU MD1 0.000 . 6.500 5.838 5.288 6.819 0.319 10 0 "[ . 1 . 2]" 1
889 1 72 PHE QB 1 80 ILE MD 0.000 . 7.500 3.979 3.101 5.101 . 0 0 "[ . 1 . 2]" 1
890 1 72 PHE QD 1 87 THR MG 0.000 . 8.500 4.871 4.369 5.657 . 0 0 "[ . 1 . 2]" 1
891 1 72 PHE QE 1 88 VAL HA 0.000 . 4.900 3.059 2.172 3.826 . 0 0 "[ . 1 . 2]" 1
892 1 72 PHE QE 1 88 VAL H 0.000 . 7.000 3.597 3.081 4.021 . 0 0 "[ . 1 . 2]" 1
893 1 72 PHE HZ 1 84 GLU HA 0.000 . 5.000 4.930 4.736 5.054 0.054 6 0 "[ . 1 . 2]" 1
894 1 72 PHE HZ 1 87 THR HA 0.000 . 6.000 4.394 3.960 4.941 . 0 0 "[ . 1 . 2]" 1
895 1 72 PHE HZ 1 87 THR HB 0.000 . 5.000 2.447 2.159 3.304 . 0 0 "[ . 1 . 2]" 1
896 1 72 PHE HZ 1 88 VAL HA 0.000 . 3.300 3.241 2.969 3.345 0.045 15 0 "[ . 1 . 2]" 1
897 1 72 PHE HZ 1 88 VAL H 0.000 . 5.000 3.601 3.327 3.924 . 0 0 "[ . 1 . 2]" 1
898 1 80 ILE MG 1 85 PHE HA 0.000 . 6.500 2.706 2.042 5.185 . 0 0 "[ . 1 . 2]" 1
899 1 91 THR HA 1 100 LYS QD 0.000 . 4.300 3.622 2.736 3.920 . 0 0 "[ . 1 . 2]" 1
900 1 91 THR HA 1 100 LYS QE 0.000 . 6.000 3.813 2.193 5.340 . 0 0 "[ . 1 . 2]" 1
901 1 101 LEU QB 1 169 PHE QD 0.000 . 8.000 5.233 3.328 6.174 . 0 0 "[ . 1 . 2]" 1
902 1 101 LEU MD1 1 169 PHE QE 0.000 . 8.500 3.805 2.080 5.508 . 0 0 "[ . 1 . 2]" 1
903 1 101 LEU MD1 1 173 SER QB 0.000 . 5.800 2.750 2.051 3.582 . 0 0 "[ . 1 . 2]" 1
904 1 101 LEU MD1 1 173 SER H 0.000 . 6.000 4.670 4.432 4.887 . 0 0 "[ . 1 . 2]" 1
905 1 101 LEU MD1 1 174 LYS H 0.000 . 5.000 3.757 2.971 4.076 . 0 0 "[ . 1 . 2]" 1
906 1 101 LEU MD2 1 166 LEU MD1 0.000 . 8.000 3.819 2.771 5.399 . 0 0 "[ . 1 . 2]" 1
907 1 101 LEU MD2 1 169 PHE QD 0.000 . 8.500 3.469 2.114 5.086 . 0 0 "[ . 1 . 2]" 1
908 1 101 LEU MD2 1 169 PHE HZ 0.000 . 6.500 4.033 2.913 5.403 . 0 0 "[ . 1 . 2]" 1
909 1 101 LEU MD2 1 173 SER QB 0.000 . 5.400 2.798 2.188 3.846 . 0 0 "[ . 1 . 2]" 1
910 1 101 LEU MD2 1 173 SER H 0.000 . 6.500 4.795 4.156 5.285 . 0 0 "[ . 1 . 2]" 1
911 1 101 LEU MD2 1 174 LYS HA 0.000 . 6.500 4.668 3.104 5.321 . 0 0 "[ . 1 . 2]" 1
912 1 101 LEU MD2 1 174 LYS H 0.000 . 6.500 4.395 3.336 5.162 . 0 0 "[ . 1 . 2]" 1
913 1 102 SER HA 1 166 LEU MD1 0.000 . 6.500 2.696 2.147 3.209 . 0 0 "[ . 1 . 2]" 1
914 1 102 SER QB 1 166 LEU MD1 0.000 . 5.800 3.758 3.093 4.007 . 0 0 "[ . 1 . 2]" 1
915 1 104 ALA MB 1 169 PHE QD 0.000 . 8.500 4.846 4.145 5.293 . 0 0 "[ . 1 . 2]" 1
916 1 104 ALA MB 1 183 LEU MD1 0.000 . 6.300 3.975 2.002 5.944 . 0 0 "[ . 1 . 2]" 1
917 1 105 PHE HA 1 116 ILE MD 0.000 . 6.500 2.852 2.492 3.021 . 0 0 "[ . 1 . 2]" 1
918 1 105 PHE HA 1 116 ILE QG 0.000 . 6.000 4.591 4.133 4.935 . 0 0 "[ . 1 . 2]" 1
919 1 105 PHE QB 1 116 ILE MD 0.000 . 7.500 3.939 3.612 4.340 . 0 0 "[ . 1 . 2]" 1
920 1 105 PHE QB 1 166 LEU MD1 0.000 . 7.500 2.250 1.828 2.721 . 0 0 "[ . 1 . 2]" 1
921 1 105 PHE QD 1 116 ILE MD 0.000 . 6.800 2.675 2.264 3.184 . 0 0 "[ . 1 . 2]" 1
922 1 105 PHE QD 1 166 LEU HA 0.000 . 7.000 2.954 2.588 3.452 . 0 0 "[ . 1 . 2]" 1
923 1 105 PHE QD 1 166 LEU MD1 0.000 . 6.800 2.790 2.487 3.076 . 0 0 "[ . 1 . 2]" 1
924 1 105 PHE QD 1 169 PHE H 0.000 . 7.000 4.892 4.439 5.363 . 0 0 "[ . 1 . 2]" 1
925 1 105 PHE QD 1 170 ARG H 0.000 . 7.000 5.266 4.195 5.891 . 0 0 "[ . 1 . 2]" 1
926 1 105 PHE QE 1 114 GLY H 0.000 . 7.000 4.478 3.607 5.389 . 0 0 "[ . 1 . 2]" 1
927 1 105 PHE QE 1 115 TYR HA 0.000 . 7.000 3.752 2.658 4.351 . 0 0 "[ . 1 . 2]" 1
928 1 105 PHE QE 1 115 TYR H 0.000 . 7.000 4.742 3.704 5.594 . 0 0 "[ . 1 . 2]" 1
929 1 105 PHE QE 1 116 ILE MD 0.000 . 8.500 2.416 2.140 3.175 . 0 0 "[ . 1 . 2]" 1
930 1 105 PHE QE 1 116 ILE H 0.000 . 5.500 3.541 2.837 4.102 . 0 0 "[ . 1 . 2]" 1
931 1 105 PHE QE 1 165 THR HA 0.000 . 5.300 3.370 2.973 3.972 . 0 0 "[ . 1 . 2]" 1
932 1 105 PHE QE 1 166 LEU MD1 0.000 . 6.800 3.746 3.484 3.947 . 0 0 "[ . 1 . 2]" 1
933 1 105 PHE QE 1 166 LEU H 0.000 . 5.500 3.284 2.970 3.855 . 0 0 "[ . 1 . 2]" 1
934 1 105 PHE QE 1 167 ASP H 0.000 . 7.000 5.318 4.994 5.686 . 0 0 "[ . 1 . 2]" 1
935 1 105 PHE QE 1 169 PHE QB 0.000 . 8.000 3.034 2.077 3.835 . 0 0 "[ . 1 . 2]" 1
936 1 105 PHE QE 1 169 PHE H 0.000 . 7.000 4.423 3.516 5.349 . 0 0 "[ . 1 . 2]" 1
937 1 105 PHE H 1 116 ILE MD 0.000 . 6.500 5.250 4.934 5.413 . 0 0 "[ . 1 . 2]" 1
938 1 105 PHE H 1 169 PHE QD 0.000 . 7.000 4.871 4.114 5.625 . 0 0 "[ . 1 . 2]" 1
939 1 105 PHE HZ 1 114 GLY QA 0.000 . 6.000 4.026 3.126 4.957 . 0 0 "[ . 1 . 2]" 1
940 1 105 PHE HZ 1 115 TYR HA 0.000 . 3.300 2.710 2.170 3.305 0.005 11 0 "[ . 1 . 2]" 1
941 1 105 PHE HZ 1 115 TYR QB 0.000 . 6.000 4.616 3.903 5.183 . 0 0 "[ . 1 . 2]" 1
942 1 105 PHE HZ 1 115 TYR H 0.000 . 5.000 4.490 3.938 5.013 0.013 7 0 "[ . 1 . 2]" 1
943 1 105 PHE HZ 1 116 ILE H 0.000 . 5.000 3.201 2.182 4.283 . 0 0 "[ . 1 . 2]" 1
944 1 105 PHE HZ 1 165 THR HA 0.000 . 5.000 2.803 2.182 3.803 . 0 0 "[ . 1 . 2]" 1
945 1 105 PHE HZ 1 166 LEU HA 0.000 . 5.000 3.968 3.382 4.509 . 0 0 "[ . 1 . 2]" 1
946 1 105 PHE HZ 1 166 LEU QB 0.000 . 5.000 3.684 3.005 4.403 . 0 0 "[ . 1 . 2]" 1
947 1 105 PHE HZ 1 166 LEU MD1 0.000 . 6.500 4.732 4.316 5.001 . 0 0 "[ . 1 . 2]" 1
948 1 105 PHE HZ 1 166 LEU H 0.000 . 5.000 2.936 2.244 3.752 . 0 0 "[ . 1 . 2]" 1
949 1 107 LEU HA 1 124 ILE MD 0.000 . 6.500 4.628 4.092 5.151 . 0 0 "[ . 1 . 2]" 1
950 1 107 LEU QB 1 124 ILE MD 0.000 . 6.500 4.297 3.648 4.619 . 0 0 "[ . 1 . 2]" 1
951 1 107 LEU MD1 1 124 ILE MD 0.000 . 5.700 4.277 1.988 5.409 . 0 0 "[ . 1 . 2]" 1
952 1 107 LEU MD1 1 124 ILE MG 0.000 . 6.300 3.828 2.538 4.313 . 0 0 "[ . 1 . 2]" 1
953 1 107 LEU MD2 1 124 ILE MD 0.000 . 8.000 2.498 1.933 3.301 . 0 0 "[ . 1 . 2]" 1
954 1 107 LEU MD2 1 124 ILE MG 0.000 . 6.300 2.873 2.243 3.819 . 0 0 "[ . 1 . 2]" 1
955 1 108 TYR HA 1 116 ILE MD 0.000 . 6.500 4.355 4.168 4.624 . 0 0 "[ . 1 . 2]" 1
956 1 108 TYR HA 1 116 ILE MG 0.000 . 6.500 4.928 4.221 5.312 . 0 0 "[ . 1 . 2]" 1
957 1 108 TYR HA 1 124 ILE MD 0.000 . 4.800 2.715 1.909 3.540 . 0 0 "[ . 1 . 2]" 1
958 1 108 TYR HA 1 124 ILE MG 0.000 . 4.800 3.249 2.175 3.809 . 0 0 "[ . 1 . 2]" 1
959 1 108 TYR QB 1 116 ILE MD 0.000 . 5.800 2.019 1.876 2.223 . 0 0 "[ . 1 . 2]" 1
960 1 108 TYR QB 1 116 ILE MG 0.000 . 5.800 3.056 2.281 3.454 . 0 0 "[ . 1 . 2]" 1
961 1 108 TYR QB 1 124 ILE MD 0.000 . 7.500 4.395 3.549 5.202 . 0 0 "[ . 1 . 2]" 1
962 1 108 TYR QD 1 116 ILE MD 0.000 . 8.500 3.259 2.559 3.890 . 0 0 "[ . 1 . 2]" 1
963 1 108 TYR QD 1 116 ILE MG 0.000 . 6.800 3.837 3.351 4.495 . 0 0 "[ . 1 . 2]" 1
964 1 108 TYR QD 1 121 MET HA 0.000 . 7.000 3.390 2.339 4.438 . 0 0 "[ . 1 . 2]" 1
965 1 108 TYR QD 1 124 ILE MD 0.000 . 8.500 3.610 2.637 4.398 . 0 0 "[ . 1 . 2]" 1
966 1 108 TYR QD 1 124 ILE MG 0.000 . 6.800 3.028 2.313 3.954 . 0 0 "[ . 1 . 2]" 1
967 1 108 TYR QD 1 152 ILE MD 0.000 . 8.500 5.130 4.667 5.594 . 0 0 "[ . 1 . 2]" 1
968 1 108 TYR QE 1 121 MET HA 0.000 . 7.000 4.426 3.331 5.110 . 0 0 "[ . 1 . 2]" 1
969 1 108 TYR QE 1 124 ILE HB 0.000 . 7.000 3.690 2.266 4.578 . 0 0 "[ . 1 . 2]" 1
970 1 108 TYR QE 1 124 ILE MD 0.000 . 8.500 4.386 3.820 5.194 . 0 0 "[ . 1 . 2]" 1
971 1 108 TYR QE 1 124 ILE MG 0.000 . 6.800 2.538 2.111 3.418 . 0 0 "[ . 1 . 2]" 1
972 1 108 TYR QE 1 124 ILE H 0.000 . 7.000 5.829 4.808 6.493 . 0 0 "[ . 1 . 2]" 1
973 1 108 TYR QE 1 125 VAL H 0.000 . 7.000 4.398 3.061 5.522 . 0 0 "[ . 1 . 2]" 1
974 1 108 TYR QE 1 152 ILE MD 0.000 . 8.500 3.658 2.853 4.401 . 0 0 "[ . 1 . 2]" 1
975 1 108 TYR QE 1 183 LEU HA 0.000 . 7.000 4.942 3.473 6.491 . 0 0 "[ . 1 . 2]" 1
976 1 108 TYR QE 1 183 LEU MD1 0.000 . 6.800 3.421 2.242 6.446 . 0 0 "[ . 1 . 2]" 1
977 1 108 TYR H 1 116 ILE MD 0.000 . 6.500 4.018 3.712 4.540 . 0 0 "[ . 1 . 2]" 1
978 1 109 ASP HA 1 116 ILE HA 0.000 . 5.000 2.931 2.626 3.303 . 0 0 "[ . 1 . 2]" 1
979 1 109 ASP HA 1 116 ILE MD 0.000 . 6.500 3.790 3.388 4.157 . 0 0 "[ . 1 . 2]" 1
980 1 109 ASP HA 1 116 ILE MG 0.000 . 6.500 3.471 2.979 3.898 . 0 0 "[ . 1 . 2]" 1
981 1 109 ASP HA 1 120 GLU QB 0.000 . 6.000 3.232 2.841 3.955 . 0 0 "[ . 1 . 2]" 1
982 1 109 ASP QB 1 116 ILE MD 0.000 . 5.800 3.084 2.531 3.711 . 0 0 "[ . 1 . 2]" 1
983 1 109 ASP H 1 116 ILE MD 0.000 . 6.500 3.429 2.792 3.921 . 0 0 "[ . 1 . 2]" 1
984 1 109 ASP H 1 116 ILE QG 0.000 . 6.000 3.225 2.863 3.591 . 0 0 "[ . 1 . 2]" 1
985 1 109 ASP H 1 116 ILE MG 0.000 . 6.500 4.938 4.364 5.291 . 0 0 "[ . 1 . 2]" 1
986 1 110 LEU HA 1 124 ILE MD 0.000 . 6.500 4.106 2.981 5.126 . 0 0 "[ . 1 . 2]" 1
987 1 110 LEU QB 1 124 ILE MD 0.000 . 7.500 3.222 2.471 4.009 . 0 0 "[ . 1 . 2]" 1
988 1 110 LEU H 1 116 ILE HA 0.000 . 5.000 5.023 4.768 5.175 0.175 8 0 "[ . 1 . 2]" 1
989 1 110 LEU H 1 116 ILE MG 0.000 . 6.500 4.622 4.237 4.974 . 0 0 "[ . 1 . 2]" 1
990 1 110 LEU H 1 120 GLU HA 0.000 . 5.000 4.400 3.928 5.082 0.082 18 0 "[ . 1 . 2]" 1
991 1 115 TYR HA 1 163 TYR QB 0.000 . 4.300 4.009 3.655 4.181 . 0 0 "[ . 1 . 2]" 1
992 1 115 TYR HA 1 164 ILE HB 0.000 . 6.000 5.651 4.592 6.290 0.290 5 0 "[ . 1 . 2]" 1
993 1 115 TYR HA 1 165 THR HA 0.000 . 5.000 2.424 2.263 2.745 . 0 0 "[ . 1 . 2]" 1
994 1 115 TYR HA 1 165 THR MG 0.000 . 6.500 3.327 2.531 3.995 . 0 0 "[ . 1 . 2]" 1
995 1 115 TYR HA 1 166 LEU H 0.000 . 5.000 4.096 3.752 4.530 . 0 0 "[ . 1 . 2]" 1
996 1 115 TYR QB 1 163 TYR QB 0.000 . 5.300 2.028 1.901 2.288 . 0 0 "[ . 1 . 2]" 1
997 1 115 TYR QB 1 164 ILE H 0.000 . 4.500 3.534 2.876 3.802 . 0 0 "[ . 1 . 2]" 1
998 1 115 TYR QB 1 165 THR MG 0.000 . 6.500 3.209 2.147 4.239 . 0 0 "[ . 1 . 2]" 1
999 1 115 TYR QB 1 165 THR H 0.000 . 6.000 4.767 4.182 5.271 . 0 0 "[ . 1 . 2]" 1
1000 1 115 TYR H 1 165 THR HA 0.000 . 5.000 5.082 4.860 5.259 0.259 20 0 "[ . 1 . 2]" 1
1001 1 116 ILE HB 1 164 ILE H 0.000 . 5.000 3.575 3.203 3.979 . 0 0 "[ . 1 . 2]" 1
1002 1 116 ILE MD 1 121 MET HA 0.000 . 6.500 5.084 4.613 5.252 . 0 0 "[ . 1 . 2]" 1
1003 1 116 ILE MD 1 164 ILE MD 0.000 . 6.300 3.494 2.625 4.276 . 0 0 "[ . 1 . 2]" 1
1004 1 116 ILE MD 1 164 ILE MG 0.000 . 8.000 3.018 2.215 4.942 . 0 0 "[ . 1 . 2]" 1
1005 1 116 ILE MD 1 169 PHE QB 0.000 . 7.500 3.750 3.159 4.235 . 0 0 "[ . 1 . 2]" 1
1006 1 116 ILE MD 1 169 PHE QD 0.000 . 6.800 3.873 2.906 4.872 . 0 0 "[ . 1 . 2]" 1
1007 1 116 ILE MG 1 121 MET HA 0.000 . 6.500 3.848 3.195 4.288 . 0 0 "[ . 1 . 2]" 1
1008 1 116 ILE MG 1 121 MET H 0.000 . 6.500 3.171 2.688 3.812 . 0 0 "[ . 1 . 2]" 1
1009 1 116 ILE MG 1 152 ILE MG 0.000 . 8.000 5.078 4.663 5.369 . 0 0 "[ . 1 . 2]" 1
1010 1 116 ILE MG 1 153 PHE QE 0.000 . 8.500 2.780 2.100 3.762 . 0 0 "[ . 1 . 2]" 1
1011 1 116 ILE MG 1 153 PHE HZ 0.000 . 6.500 3.984 2.789 4.997 . 0 0 "[ . 1 . 2]" 1
1012 1 116 ILE MG 1 164 ILE HB 0.000 . 7.500 4.091 2.267 5.327 . 0 0 "[ . 1 . 2]" 1
1013 1 116 ILE MG 1 164 ILE MD 0.000 . 6.300 3.958 2.851 4.414 . 0 0 "[ . 1 . 2]" 1
1014 1 116 ILE MG 1 164 ILE MG 0.000 . 8.000 3.139 2.049 4.889 . 0 0 "[ . 1 . 2]" 1
1015 1 116 ILE H 1 164 ILE HB 0.000 . 6.000 4.201 2.885 5.162 . 0 0 "[ . 1 . 2]" 1
1016 1 116 ILE H 1 164 ILE QG 0.000 . 6.000 4.305 2.167 5.131 . 0 0 "[ . 1 . 2]" 1
1017 1 116 ILE H 1 164 ILE H 0.000 . 3.500 3.120 2.521 3.507 0.007 16 0 "[ . 1 . 2]" 1
1018 1 116 ILE H 1 165 THR MG 0.000 . 6.500 4.671 3.831 5.261 . 0 0 "[ . 1 . 2]" 1
1019 1 117 THR HA 1 153 PHE HZ 0.000 . 5.000 3.311 2.310 4.296 . 0 0 "[ . 1 . 2]" 1
1020 1 117 THR HA 1 163 TYR HA 0.000 . 5.000 3.293 2.600 4.175 . 0 0 "[ . 1 . 2]" 1
1021 1 117 THR HA 1 164 ILE HB 0.000 . 6.000 5.639 4.349 6.254 0.254 16 0 "[ . 1 . 2]" 1
1022 1 117 THR HA 1 164 ILE H 0.000 . 5.000 3.805 3.163 4.091 . 0 0 "[ . 1 . 2]" 1
1023 1 118 PHE HA 1 153 PHE QD 0.000 . 7.000 3.563 2.325 4.946 . 0 0 "[ . 1 . 2]" 1
1024 1 118 PHE H 1 153 PHE QD 0.000 . 7.000 4.986 4.114 6.182 . 0 0 "[ . 1 . 2]" 1
1025 1 118 PHE H 1 153 PHE QE 0.000 . 7.000 3.369 2.404 4.617 . 0 0 "[ . 1 . 2]" 1
1026 1 121 MET QB 1 152 ILE MD 0.000 . 7.500 4.765 3.653 5.277 . 0 0 "[ . 1 . 2]" 1
1027 1 121 MET ME 1 152 ILE MD 0.000 . 5.700 3.084 2.408 3.830 . 0 0 "[ . 1 . 2]" 1
1028 1 121 MET ME 1 152 ILE H 0.000 . 6.500 4.987 3.736 5.435 . 0 0 "[ . 1 . 2]" 1
1029 1 121 MET ME 1 153 PHE QD 0.000 . 6.800 2.784 2.100 4.001 . 0 0 "[ . 1 . 2]" 1
1030 1 122 LEU HA 1 149 VAL MG2 0.000 . 6.500 2.353 1.921 4.374 . 0 0 "[ . 1 . 2]" 1
1031 1 122 LEU MD2 1 146 GLU HA 0.000 . 6.500 4.289 3.642 4.914 . 0 0 "[ . 1 . 2]" 1
1032 1 122 LEU MD2 1 146 GLU QB 0.000 . 7.500 4.425 3.441 5.245 . 0 0 "[ . 1 . 2]" 1
1033 1 122 LEU MD2 1 146 GLU H 0.000 . 6.500 5.255 5.122 5.347 . 0 0 "[ . 1 . 2]" 1
1034 1 122 LEU MD1 1 146 GLU HA 0.000 . 4.200 2.769 2.107 3.329 . 0 0 "[ . 1 . 2]" 1
1035 1 122 LEU MD1 1 146 GLU QB 0.000 . 7.500 3.590 2.586 4.271 . 0 0 "[ . 1 . 2]" 1
1036 1 122 LEU MD1 1 146 GLU H 0.000 . 6.500 4.069 3.246 5.164 . 0 0 "[ . 1 . 2]" 1
1037 1 122 LEU MD1 1 149 VAL H 0.000 . 6.500 4.750 3.996 5.306 . 0 0 "[ . 1 . 2]" 1
1038 1 125 VAL HB 1 152 ILE MD 0.000 . 6.500 4.625 4.110 5.381 . 0 0 "[ . 1 . 2]" 1
1039 1 125 VAL MG2 1 149 VAL HA 0.000 . 6.500 3.039 2.395 3.530 . 0 0 "[ . 1 . 2]" 1
1040 1 125 VAL MG1 1 145 PRO HA 0.000 . 4.800 3.275 2.720 3.834 . 0 0 "[ . 1 . 2]" 1
1041 1 125 VAL MG1 1 148 ARG QB 0.000 . 5.200 2.662 2.041 3.592 . 0 0 "[ . 1 . 2]" 1
1042 1 125 VAL MG1 1 149 VAL HA 0.000 . 6.500 3.192 2.727 3.844 . 0 0 "[ . 1 . 2]" 1
1043 1 125 VAL MG1 1 149 VAL H 0.000 . 6.500 3.410 2.907 3.976 . 0 0 "[ . 1 . 2]" 1
1044 1 125 VAL MG1 1 152 ILE MD 0.000 . 6.300 2.836 2.294 3.473 . 0 0 "[ . 1 . 2]" 1
1045 1 126 ALA HA 1 145 PRO QB 0.000 . 6.000 2.518 2.083 3.137 . 0 0 "[ . 1 . 2]" 1
1046 1 126 ALA HA 1 145 PRO QG 0.000 . 6.000 2.240 1.993 2.582 . 0 0 "[ . 1 . 2]" 1
1047 1 128 VAL MG1 1 152 ILE MD 0.000 . 6.300 4.376 4.117 4.544 . 0 0 "[ . 1 . 2]" 1
1048 1 128 VAL MG1 1 183 LEU HA 0.000 . 6.500 5.212 4.578 5.579 . 0 0 "[ . 1 . 2]" 1
1049 1 128 VAL MG1 1 185 LEU HA 0.000 . 6.500 4.402 2.572 5.540 . 0 0 "[ . 1 . 2]" 1
1050 1 128 VAL MG1 1 185 LEU QB 0.000 . 5.800 3.614 2.662 4.641 . 0 0 "[ . 1 . 2]" 1
1051 1 129 TYR QB 1 144 THR HA 0.000 . 6.000 5.424 5.293 5.546 . 0 0 "[ . 1 . 2]" 1
1052 1 129 TYR QB 1 145 PRO HA 0.000 . 6.000 4.149 3.701 4.664 . 0 0 "[ . 1 . 2]" 1
1053 1 129 TYR QB 1 145 PRO QG 0.000 . 7.000 2.440 1.973 3.635 . 0 0 "[ . 1 . 2]" 1
1054 1 129 TYR QD 1 144 THR HA 0.000 . 7.000 5.003 3.977 5.795 . 0 0 "[ . 1 . 2]" 1
1055 1 129 TYR QD 1 145 PRO HA 0.000 . 7.000 3.634 2.602 4.602 . 0 0 "[ . 1 . 2]" 1
1056 1 129 TYR QD 1 145 PRO QG 0.000 . 8.000 3.582 2.614 5.192 . 0 0 "[ . 1 . 2]" 1
1057 1 129 TYR QD 1 148 ARG QB 0.000 . 8.000 4.011 2.971 4.729 . 0 0 "[ . 1 . 2]" 1
1058 1 129 TYR QE 1 144 THR H 0.000 . 7.000 5.546 4.665 6.267 . 0 0 "[ . 1 . 2]" 1
1059 1 129 TYR QE 1 145 PRO HA 0.000 . 7.000 3.888 3.088 5.272 . 0 0 "[ . 1 . 2]" 1
1060 1 129 TYR QE 1 148 ARG QB 0.000 . 7.000 3.434 2.212 4.507 . 0 0 "[ . 1 . 2]" 1
1061 1 129 TYR QE 1 148 ARG H 0.000 . 7.000 5.065 4.239 6.105 . 0 0 "[ . 1 . 2]" 1
1062 1 152 ILE HA 1 179 ILE MG 0.000 . 6.500 4.189 2.629 5.093 . 0 0 "[ . 1 . 2]" 1
1063 1 152 ILE MD 1 183 LEU HA 0.000 . 6.500 3.543 2.673 4.359 . 0 0 "[ . 1 . 2]" 1
1064 1 152 ILE MD 1 183 LEU QB 0.000 . 5.800 3.948 2.996 4.241 . 0 0 "[ . 1 . 2]" 1
1065 1 152 ILE QG 1 183 LEU H 0.000 . 6.000 4.311 3.556 5.102 . 0 0 "[ . 1 . 2]" 1
1066 1 152 ILE MG 1 164 ILE MD 0.000 . 8.000 4.766 3.548 5.502 . 0 0 "[ . 1 . 2]" 1
1067 1 152 ILE MG 1 164 ILE MG 0.000 . 8.000 5.253 4.864 5.445 . 0 0 "[ . 1 . 2]" 1
1068 1 152 ILE MG 1 179 ILE MG 0.000 . 6.300 3.474 2.432 4.285 . 0 0 "[ . 1 . 2]" 1
1069 1 153 PHE HA 1 164 ILE MG 0.000 . 6.500 4.797 3.819 5.304 . 0 0 "[ . 1 . 2]" 1
1070 1 153 PHE QE 1 163 TYR H 0.000 . 7.000 5.666 4.502 6.459 . 0 0 "[ . 1 . 2]" 1
1071 1 153 PHE QE 1 164 ILE MD 0.000 . 8.500 4.099 2.287 5.646 . 0 0 "[ . 1 . 2]" 1
1072 1 153 PHE HZ 1 163 TYR HA 0.000 . 5.000 3.032 2.473 3.420 . 0 0 "[ . 1 . 2]" 1
1073 1 153 PHE HZ 1 164 ILE H 0.000 . 3.500 3.500 3.120 3.567 0.067 12 0 "[ . 1 . 2]" 1
1074 1 155 LEU HA 1 179 ILE MD 0.000 . 6.500 4.351 3.966 4.854 . 0 0 "[ . 1 . 2]" 1
1075 1 155 LEU HA 1 179 ILE QG 0.000 . 6.000 5.056 4.119 5.372 . 0 0 "[ . 1 . 2]" 1
1076 1 155 LEU QB 1 179 ILE MD 0.000 . 5.800 2.590 1.940 3.707 . 0 0 "[ . 1 . 2]" 1
1077 1 155 LEU QB 1 179 ILE QG 0.000 . 7.000 2.718 2.102 3.626 . 0 0 "[ . 1 . 2]" 1
1078 1 156 MET HA 1 164 ILE MG 0.000 . 6.500 5.237 4.735 5.447 . 0 0 "[ . 1 . 2]" 1
1079 1 156 MET HA 1 179 ILE MD 0.000 . 6.500 3.576 2.231 4.929 . 0 0 "[ . 1 . 2]" 1
1080 1 156 MET QB 1 164 ILE MD 0.000 . 5.800 2.391 1.861 3.430 . 0 0 "[ . 1 . 2]" 1
1081 1 156 MET QB 1 164 ILE MG 0.000 . 7.500 3.277 2.704 3.993 . 0 0 "[ . 1 . 2]" 1
1082 1 156 MET ME 1 179 ILE MD 0.000 . 8.000 3.641 2.014 5.400 . 0 0 "[ . 1 . 2]" 1
1083 1 156 MET H 1 164 ILE MD 0.000 . 6.500 4.750 3.649 5.378 . 0 0 "[ . 1 . 2]" 1
1084 1 157 ASP HA 1 164 ILE MG 0.000 . 6.500 4.594 3.761 5.361 . 0 0 "[ . 1 . 2]" 1
1085 1 157 ASP QB 1 164 ILE MG 0.000 . 7.500 3.576 2.601 4.796 . 0 0 "[ . 1 . 2]" 1
1086 1 157 ASP H 1 164 ILE MD 0.000 . 6.500 3.866 2.632 4.871 . 0 0 "[ . 1 . 2]" 1
1087 1 157 ASP H 1 164 ILE MG 0.000 . 6.500 4.836 3.437 5.374 . 0 0 "[ . 1 . 2]" 1
1088 1 164 ILE MD 1 169 PHE HA 0.000 . 6.500 3.612 2.664 4.732 . 0 0 "[ . 1 . 2]" 1
1089 1 164 ILE MD 1 169 PHE QB 0.000 . 5.800 2.866 2.018 3.920 . 0 0 "[ . 1 . 2]" 1
1090 1 164 ILE MD 1 169 PHE QD 0.000 . 6.800 3.400 2.182 4.663 . 0 0 "[ . 1 . 2]" 1
1091 1 164 ILE MD 1 169 PHE H 0.000 . 6.500 3.787 2.094 5.374 . 0 0 "[ . 1 . 2]" 1
1092 1 166 LEU MD1 1 173 SER QB 0.000 . 7.500 5.279 5.003 5.518 . 0 0 "[ . 1 . 2]" 1
1093 1 169 PHE QE 1 179 ILE MG 0.000 . 8.500 3.621 2.311 4.766 . 0 0 "[ . 1 . 2]" 1
1094 1 169 PHE QE 1 183 LEU MD1 0.000 . 6.800 3.907 2.177 5.869 . 0 0 "[ . 1 . 2]" 1
1095 1 169 PHE QE 1 183 LEU MD2 0.000 . 8.500 3.108 1.949 4.358 . 0 0 "[ . 1 . 2]" 1
1096 1 172 GLY QA 1 179 ILE MD 0.000 . 7.500 3.433 2.572 4.777 . 0 0 "[ . 1 . 2]" 1
1097 1 172 GLY QA 1 179 ILE MG 0.000 . 7.500 5.099 3.854 5.396 . 0 0 "[ . 1 . 2]" 1
1098 1 173 SER HA 1 179 ILE HB 0.000 . 5.000 3.163 2.219 4.034 . 0 0 "[ . 1 . 2]" 1
1099 1 173 SER HA 1 179 ILE MD 0.000 . 4.800 2.791 2.139 3.827 . 0 0 "[ . 1 . 2]" 1
1100 1 173 SER HA 1 179 ILE MG 0.000 . 4.800 3.434 2.229 3.971 . 0 0 "[ . 1 . 2]" 1
1101 1 173 SER QB 1 179 ILE MG 0.000 . 5.800 3.617 2.843 4.198 . 0 0 "[ . 1 . 2]" 1
1102 1 173 SER QB 1 183 LEU QD 0.000 . 6.700 3.795 2.981 4.388 . 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 138
_Distance_constraint_stats_list.Viol_count 694
_Distance_constraint_stats_list.Viol_total 636.020
_Distance_constraint_stats_list.Viol_max 0.323
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0458
_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 10 LYS 0.208 0.065 14 0 "[ . 1 . 2]"
1 11 ASP 0.113 0.034 20 0 "[ . 1 . 2]"
1 12 ASP 0.092 0.036 18 0 "[ . 1 . 2]"
1 14 THR 0.208 0.065 14 0 "[ . 1 . 2]"
1 15 CYS 0.113 0.034 20 0 "[ . 1 . 2]"
1 16 LEU 0.092 0.036 18 0 "[ . 1 . 2]"
1 26 GLU 1.194 0.184 7 0 "[ . 1 . 2]"
1 27 ILE 0.065 0.030 3 0 "[ . 1 . 2]"
1 28 GLN 1.776 0.166 9 0 "[ . 1 . 2]"
1 29 GLN 1.019 0.116 17 0 "[ . 1 . 2]"
1 30 TRP 1.238 0.184 7 0 "[ . 1 . 2]"
1 31 HIS 0.421 0.129 9 0 "[ . 1 . 2]"
1 32 LYS 2.587 0.166 9 0 "[ . 1 . 2]"
1 33 GLY 1.688 0.116 17 0 "[ . 1 . 2]"
1 34 PHE 0.045 0.045 2 0 "[ . 1 . 2]"
1 35 LEU 0.356 0.129 9 0 "[ . 1 . 2]"
1 36 ARG 0.810 0.095 9 0 "[ . 1 . 2]"
1 37 ASP 0.669 0.097 7 0 "[ . 1 . 2]"
1 43 LEU 0.082 0.040 19 0 "[ . 1 . 2]"
1 45 ARG 0.112 0.053 17 0 "[ . 1 . 2]"
1 46 GLU 0.458 0.107 11 0 "[ . 1 . 2]"
1 47 ASP 0.001 0.001 5 0 "[ . 1 . 2]"
1 48 PHE 1.219 0.079 7 0 "[ . 1 . 2]"
1 49 VAL 0.112 0.053 17 0 "[ . 1 . 2]"
1 50 LYS 0.667 0.107 11 0 "[ . 1 . 2]"
1 51 ILE 0.641 0.085 16 0 "[ . 1 . 2]"
1 52 TYR 1.442 0.079 7 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.210 0.066 11 0 "[ . 1 . 2]"
1 55 PHE 0.641 0.085 16 0 "[ . 1 . 2]"
1 56 PHE 0.224 0.060 7 0 "[ . 1 . 2]"
1 62 GLU 0.260 0.073 1 0 "[ . 1 . 2]"
1 63 ASP 0.015 0.015 2 0 "[ . 1 . 2]"
1 64 PHE 0.005 0.003 18 0 "[ . 1 . 2]"
1 65 ALA 0.916 0.094 3 0 "[ . 1 . 2]"
1 66 ASN 0.343 0.073 1 0 "[ . 1 . 2]"
1 67 HIS 0.173 0.092 4 0 "[ . 1 . 2]"
1 68 LEU 0.005 0.003 18 0 "[ . 1 . 2]"
1 69 PHE 0.916 0.094 3 0 "[ . 1 . 2]"
1 70 THR 0.083 0.031 2 0 "[ . 1 . 2]"
1 71 VAL 0.157 0.092 4 0 "[ . 1 . 2]"
1 80 ILE 0.082 0.040 19 0 "[ . 1 . 2]"
1 82 PHE 0.287 0.077 15 0 "[ . 1 . 2]"
1 83 GLU 0.490 0.111 5 0 "[ . 1 . 2]"
1 84 GLU 2.406 0.178 8 0 "[ . 1 . 2]"
1 85 PHE 0.986 0.124 3 0 "[ . 1 . 2]"
1 86 ILE 0.319 0.077 15 0 "[ . 1 . 2]"
1 87 THR 0.814 0.111 5 0 "[ . 1 . 2]"
1 88 VAL 2.633 0.178 8 0 "[ . 1 . 2]"
1 89 LEU 0.986 0.124 3 0 "[ . 1 . 2]"
1 90 SER 0.032 0.017 16 0 "[ . 1 . 2]"
1 91 THR 0.323 0.074 14 0 "[ . 1 . 2]"
1 92 THR 0.227 0.069 15 0 "[ . 1 . 2]"
1 98 GLU 1.119 0.113 8 0 "[ . 1 . 2]"
1 99 GLU 0.098 0.046 5 0 "[ . 1 . 2]"
1 100 LYS 0.031 0.031 11 0 "[ . 1 . 2]"
1 101 LEU 0.487 0.074 8 0 "[ . 1 . 2]"
1 102 SER 1.858 0.113 8 0 "[ . 1 . 2]"
1 103 TRP 0.452 0.060 5 0 "[ . 1 . 2]"
1 104 ALA 0.142 0.053 14 0 "[ . 1 . 2]"
1 105 PHE 0.487 0.074 8 0 "[ . 1 . 2]"
1 106 GLU 0.739 0.077 10 0 "[ . 1 . 2]"
1 107 LEU 0.354 0.060 5 0 "[ . 1 . 2]"
1 108 TYR 0.110 0.053 14 0 "[ . 1 . 2]"
1 116 ILE 1.889 0.176 3 0 "[ . 1 . 2]"
1 118 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASP 0.290 0.070 10 0 "[ . 1 . 2]"
1 120 GLU 0.142 0.072 13 0 "[ . 1 . 2]"
1 121 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 LEU 0.005 0.004 14 0 "[ . 1 . 2]"
1 123 THR 1.301 0.132 11 0 "[ . 1 . 2]"
1 124 ILE 0.197 0.072 13 0 "[ . 1 . 2]"
1 125 VAL 0.900 0.105 17 0 "[ . 1 . 2]"
1 126 ALA 0.380 0.070 5 0 "[ . 1 . 2]"
1 127 SER 1.011 0.132 11 0 "[ . 1 . 2]"
1 128 VAL 0.055 0.031 19 0 "[ . 1 . 2]"
1 129 TYR 0.900 0.105 17 0 "[ . 1 . 2]"
1 130 LYS 0.376 0.070 5 0 "[ . 1 . 2]"
1 146 GLU 0.542 0.115 11 0 "[ . 1 . 2]"
1 147 MET 1.028 0.123 15 0 "[ . 1 . 2]"
1 148 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 VAL 0.126 0.038 19 0 "[ . 1 . 2]"
1 150 LYS 1.016 0.115 11 0 "[ . 1 . 2]"
1 151 LYS 1.310 0.123 15 0 "[ . 1 . 2]"
1 152 ILE 0.218 0.059 15 0 "[ . 1 . 2]"
1 153 PHE 0.126 0.038 19 0 "[ . 1 . 2]"
1 154 LYS 0.473 0.080 11 0 "[ . 1 . 2]"
1 155 LEU 0.282 0.059 17 0 "[ . 1 . 2]"
1 156 MET 0.218 0.059 15 0 "[ . 1 . 2]"
1 164 ILE 1.889 0.176 3 0 "[ . 1 . 2]"
1 166 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 ASP 0.405 0.113 5 0 "[ . 1 . 2]"
1 168 GLU 0.229 0.052 8 0 "[ . 1 . 2]"
1 169 PHE 0.011 0.011 10 0 "[ . 1 . 2]"
1 170 ARG 0.125 0.034 2 0 "[ . 1 . 2]"
1 171 GLU 0.571 0.113 5 0 "[ . 1 . 2]"
1 172 GLY 0.229 0.052 8 0 "[ . 1 . 2]"
1 173 SER 0.011 0.011 10 0 "[ . 1 . 2]"
1 174 LYS 0.125 0.034 2 0 "[ . 1 . 2]"
1 175 VAL 0.166 0.045 5 0 "[ . 1 . 2]"
1 179 ILE 0.174 0.098 19 0 "[ . 1 . 2]"
1 180 ILE 0.376 0.183 3 0 "[ . 1 . 2]"
1 181 GLY 1.018 0.157 11 0 "[ . 1 . 2]"
1 182 ALA 3.540 0.323 11 0 "[ . 1 . 2]"
1 183 LEU 0.174 0.098 19 0 "[ . 1 . 2]"
1 184 ASN 0.376 0.183 3 0 "[ . 1 . 2]"
1 185 LEU 1.018 0.157 11 0 "[ . 1 . 2]"
1 186 TYR 3.540 0.323 11 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 10 LYS O 1 14 THR N 0.000 . 3.300 3.136 2.692 3.319 0.019 14 0 "[ . 1 . 2]" 2
2 1 10 LYS O 1 14 THR H 0.000 . 2.300 2.220 1.806 2.365 0.065 14 0 "[ . 1 . 2]" 2
3 1 11 ASP O 1 15 CYS N 0.000 . 3.300 3.089 2.841 3.303 0.003 16 0 "[ . 1 . 2]" 2
4 1 11 ASP O 1 15 CYS H 0.000 . 2.300 2.208 1.997 2.334 0.034 20 0 "[ . 1 . 2]" 2
5 1 12 ASP O 1 16 LEU N 0.000 . 3.300 2.905 2.413 3.257 . 0 0 "[ . 1 . 2]" 2
6 1 12 ASP O 1 16 LEU H 0.000 . 2.300 2.009 1.474 2.336 0.036 18 0 "[ . 1 . 2]" 2
7 1 26 GLU O 1 30 TRP N 0.000 . 3.300 3.164 2.677 3.390 0.090 7 0 "[ . 1 . 2]" 2
8 1 26 GLU O 1 30 TRP H 0.000 . 2.300 2.230 1.703 2.484 0.184 7 0 "[ . 1 . 2]" 2
9 1 27 ILE O 1 31 HIS N 0.000 . 3.300 2.961 2.555 3.231 . 0 0 "[ . 1 . 2]" 2
10 1 27 ILE O 1 31 HIS H 0.000 . 2.300 2.137 1.664 2.330 0.030 3 0 "[ . 1 . 2]" 2
11 1 28 GLN O 1 32 LYS N 0.000 . 3.300 3.322 3.242 3.412 0.112 9 0 "[ . 1 . 2]" 2
12 1 28 GLN O 1 32 LYS H 0.000 . 2.300 2.362 2.265 2.466 0.166 9 0 "[ . 1 . 2]" 2
13 1 29 GLN O 1 33 GLY N 0.000 . 3.300 3.189 2.907 3.321 0.021 17 0 "[ . 1 . 2]" 2
14 1 29 GLN O 1 33 GLY H 0.000 . 2.300 2.337 2.122 2.416 0.116 17 0 "[ . 1 . 2]" 2
15 1 30 TRP O 1 34 PHE N 0.000 . 3.300 2.562 2.373 3.064 . 0 0 "[ . 1 . 2]" 2
16 1 30 TRP O 1 34 PHE H 0.000 . 2.300 1.713 1.459 2.345 0.045 2 0 "[ . 1 . 2]" 2
17 1 31 HIS O 1 35 LEU N 0.000 . 3.300 3.085 2.591 3.339 0.039 14 0 "[ . 1 . 2]" 2
18 1 31 HIS O 1 35 LEU H 0.000 . 2.300 2.135 1.617 2.429 0.129 9 0 "[ . 1 . 2]" 2
19 1 32 LYS O 1 36 ARG N 0.000 . 3.300 3.202 3.057 3.298 . 0 0 "[ . 1 . 2]" 2
20 1 32 LYS O 1 36 ARG H 0.000 . 2.300 2.341 2.303 2.395 0.095 9 0 "[ . 1 . 2]" 2
21 1 33 GLY O 1 37 ASP N 0.000 . 3.300 3.210 2.885 3.311 0.011 3 0 "[ . 1 . 2]" 2
22 1 33 GLY O 1 37 ASP H 0.000 . 2.300 2.313 2.035 2.397 0.097 7 0 "[ . 1 . 2]" 2
23 1 43 LEU O 1 80 ILE N 0.000 . 3.300 2.851 2.551 3.190 . 0 0 "[ . 1 . 2]" 2
24 1 43 LEU O 1 80 ILE H 0.000 . 2.300 1.895 1.606 2.239 . 0 0 "[ . 1 . 2]" 2
25 1 45 ARG O 1 49 VAL N 0.000 . 3.300 3.094 2.818 3.331 0.031 17 0 "[ . 1 . 2]" 2
26 1 45 ARG O 1 49 VAL H 0.000 . 2.300 2.140 1.864 2.353 0.053 17 0 "[ . 1 . 2]" 2
27 1 46 GLU O 1 50 LYS N 0.000 . 3.300 3.101 2.664 3.309 0.009 11 0 "[ . 1 . 2]" 2
28 1 46 GLU O 1 50 LYS H 0.000 . 2.300 2.165 1.697 2.407 0.107 11 0 "[ . 1 . 2]" 2
29 1 47 ASP O 1 51 ILE N 0.000 . 3.300 2.844 2.549 3.151 . 0 0 "[ . 1 . 2]" 2
30 1 47 ASP O 1 51 ILE H 0.000 . 2.300 1.901 1.598 2.301 0.001 5 0 "[ . 1 . 2]" 2
31 1 48 PHE O 1 52 TYR N 0.000 . 3.300 3.304 3.206 3.353 0.053 16 0 "[ . 1 . 2]" 2
32 1 48 PHE O 1 52 TYR H 0.000 . 2.300 2.346 2.309 2.379 0.079 7 0 "[ . 1 . 2]" 2
33 1 49 VAL O 1 53 LYS N 0.000 . 3.300 2.862 2.438 3.179 . 0 0 "[ . 1 . 2]" 2
34 1 49 VAL O 1 53 LYS H 0.000 . 2.300 1.931 1.549 2.221 . 0 0 "[ . 1 . 2]" 2
35 1 50 LYS O 1 54 GLN N 0.000 . 3.300 2.975 2.625 3.322 0.022 11 0 "[ . 1 . 2]" 2
36 1 50 LYS O 1 54 GLN H 0.000 . 2.300 2.065 1.706 2.366 0.066 11 0 "[ . 1 . 2]" 2
37 1 51 ILE O 1 55 PHE N 0.000 . 3.300 3.129 2.638 3.305 0.005 16 0 "[ . 1 . 2]" 2
38 1 51 ILE O 1 55 PHE H 0.000 . 2.300 2.281 1.683 2.385 0.085 16 0 "[ . 1 . 2]" 2
39 1 52 TYR O 1 56 PHE N 0.000 . 3.300 2.987 2.795 3.157 . 0 0 "[ . 1 . 2]" 2
40 1 52 TYR O 1 56 PHE H 0.000 . 2.300 2.248 2.051 2.360 0.060 7 0 "[ . 1 . 2]" 2
41 1 62 GLU O 1 66 ASN N 0.000 . 3.300 3.023 2.735 3.276 . 0 0 "[ . 1 . 2]" 2
42 1 62 GLU O 1 66 ASN H 0.000 . 2.300 2.210 1.826 2.373 0.073 1 0 "[ . 1 . 2]" 2
43 1 63 ASP O 1 67 HIS N 0.000 . 3.300 2.807 2.417 3.236 . 0 0 "[ . 1 . 2]" 2
44 1 63 ASP O 1 67 HIS H 0.000 . 2.300 1.867 1.492 2.315 0.015 2 0 "[ . 1 . 2]" 2
45 1 64 PHE O 1 68 LEU N 0.000 . 3.300 3.142 2.949 3.282 . 0 0 "[ . 1 . 2]" 2
46 1 64 PHE O 1 68 LEU H 0.000 . 2.300 2.209 2.017 2.303 0.003 18 0 "[ . 1 . 2]" 2
47 1 65 ALA O 1 69 PHE N 0.000 . 3.300 3.249 3.148 3.344 0.044 15 0 "[ . 1 . 2]" 2
48 1 65 ALA O 1 69 PHE H 0.000 . 2.300 2.339 2.279 2.394 0.094 3 0 "[ . 1 . 2]" 2
49 1 66 ASN O 1 70 THR N 0.000 . 3.300 3.126 2.694 3.276 . 0 0 "[ . 1 . 2]" 2
50 1 66 ASN O 1 70 THR H 0.000 . 2.300 2.204 1.761 2.331 0.031 2 0 "[ . 1 . 2]" 2
51 1 67 HIS O 1 71 VAL N 0.000 . 3.300 3.061 2.749 3.298 . 0 0 "[ . 1 . 2]" 2
52 1 67 HIS O 1 71 VAL H 0.000 . 2.300 2.114 1.768 2.392 0.092 4 0 "[ . 1 . 2]" 2
53 1 43 LEU N 1 80 ILE O 0.000 . 3.300 2.882 2.407 3.297 . 0 0 "[ . 1 . 2]" 2
54 1 43 LEU H 1 80 ILE O 0.000 . 2.300 2.035 1.532 2.340 0.040 19 0 "[ . 1 . 2]" 2
55 1 82 PHE O 1 86 ILE N 0.000 . 3.300 3.155 2.961 3.342 0.042 15 0 "[ . 1 . 2]" 2
56 1 82 PHE O 1 86 ILE H 0.000 . 2.300 2.241 2.071 2.377 0.077 15 0 "[ . 1 . 2]" 2
57 1 83 GLU O 1 87 THR N 0.000 . 3.300 3.137 2.922 3.336 0.036 5 0 "[ . 1 . 2]" 2
58 1 83 GLU O 1 87 THR H 0.000 . 2.300 2.255 2.027 2.411 0.111 5 0 "[ . 1 . 2]" 2
59 1 84 GLU O 1 88 VAL N 0.000 . 3.300 3.306 3.043 3.421 0.121 8 0 "[ . 1 . 2]" 2
60 1 84 GLU O 1 88 VAL H 0.000 . 2.300 2.381 2.131 2.478 0.178 8 0 "[ . 1 . 2]" 2
61 1 85 PHE O 1 89 LEU N 0.000 . 3.300 3.263 3.005 3.391 0.091 3 0 "[ . 1 . 2]" 2
62 1 85 PHE O 1 89 LEU H 0.000 . 2.300 2.314 2.071 2.424 0.124 3 0 "[ . 1 . 2]" 2
63 1 86 ILE O 1 90 SER N 0.000 . 3.300 2.849 2.521 3.272 . 0 0 "[ . 1 . 2]" 2
64 1 86 ILE O 1 90 SER H 0.000 . 2.300 1.957 1.554 2.317 0.017 16 0 "[ . 1 . 2]" 2
65 1 87 THR O 1 91 THR N 0.000 . 3.300 3.125 2.793 3.321 0.021 2 0 "[ . 1 . 2]" 2
66 1 87 THR O 1 91 THR H 0.000 . 2.300 2.180 1.825 2.374 0.074 14 0 "[ . 1 . 2]" 2
67 1 88 VAL O 1 92 THR N 0.000 . 3.300 3.005 2.663 3.288 . 0 0 "[ . 1 . 2]" 2
68 1 88 VAL O 1 92 THR H 0.000 . 2.300 2.212 1.822 2.369 0.069 15 0 "[ . 1 . 2]" 2
69 1 98 GLU O 1 102 SER N 0.000 . 3.300 3.261 2.896 3.347 0.047 14 0 "[ . 1 . 2]" 2
70 1 98 GLU O 1 102 SER H 0.000 . 2.300 2.327 1.950 2.413 0.113 8 0 "[ . 1 . 2]" 2
71 1 99 GLU O 1 103 TRP N 0.000 . 3.300 2.995 2.575 3.308 0.008 5 0 "[ . 1 . 2]" 2
72 1 99 GLU O 1 103 TRP H 0.000 . 2.300 2.058 1.701 2.346 0.046 5 0 "[ . 1 . 2]" 2
73 1 100 LYS O 1 104 ALA N 0.000 . 3.300 2.931 2.561 3.286 . 0 0 "[ . 1 . 2]" 2
74 1 100 LYS O 1 104 ALA H 0.000 . 2.300 2.005 1.662 2.331 0.031 11 0 "[ . 1 . 2]" 2
75 1 101 LEU O 1 105 PHE N 0.000 . 3.300 3.251 3.109 3.326 0.026 8 0 "[ . 1 . 2]" 2
76 1 101 LEU O 1 105 PHE H 0.000 . 2.300 2.310 2.209 2.374 0.074 8 0 "[ . 1 . 2]" 2
77 1 102 SER O 1 106 GLU N 0.000 . 3.300 3.267 3.080 3.337 0.037 10 0 "[ . 1 . 2]" 2
78 1 102 SER O 1 106 GLU H 0.000 . 2.300 2.318 2.200 2.377 0.077 10 0 "[ . 1 . 2]" 2
79 1 103 TRP O 1 107 LEU N 0.000 . 3.300 3.146 2.874 3.297 . 0 0 "[ . 1 . 2]" 2
80 1 103 TRP O 1 107 LEU H 0.000 . 2.300 2.246 1.950 2.360 0.060 5 0 "[ . 1 . 2]" 2
81 1 104 ALA O 1 108 TYR N 0.000 . 3.300 3.045 2.699 3.252 . 0 0 "[ . 1 . 2]" 2
82 1 104 ALA O 1 108 TYR H 0.000 . 2.300 2.131 1.743 2.353 0.053 14 0 "[ . 1 . 2]" 2
83 1 116 ILE O 1 164 ILE N 0.000 . 3.300 3.266 2.912 3.400 0.100 3 0 "[ . 1 . 2]" 2
84 1 116 ILE O 1 164 ILE H 0.000 . 2.300 2.360 2.003 2.476 0.176 3 0 "[ . 1 . 2]" 2
85 1 118 PHE O 1 122 LEU N 0.000 . 3.300 2.954 2.661 3.181 . 0 0 "[ . 1 . 2]" 2
86 1 118 PHE O 1 122 LEU H 0.000 . 2.300 2.024 1.698 2.265 . 0 0 "[ . 1 . 2]" 2
87 1 119 ASP O 1 123 THR N 0.000 . 3.300 3.158 2.794 3.304 0.004 10 0 "[ . 1 . 2]" 2
88 1 119 ASP O 1 123 THR H 0.000 . 2.300 2.235 1.863 2.370 0.070 10 0 "[ . 1 . 2]" 2
89 1 120 GLU O 1 124 ILE N 0.000 . 3.300 3.178 2.889 3.281 . 0 0 "[ . 1 . 2]" 2
90 1 120 GLU O 1 124 ILE H 0.000 . 2.300 2.231 1.919 2.372 0.072 13 0 "[ . 1 . 2]" 2
91 1 121 MET O 1 125 VAL N 0.000 . 3.300 2.703 2.403 2.980 . 0 0 "[ . 1 . 2]" 2
92 1 121 MET O 1 125 VAL H 0.000 . 2.300 1.786 1.482 2.154 . 0 0 "[ . 1 . 2]" 2
93 1 122 LEU O 1 126 ALA N 0.000 . 3.300 2.821 2.445 3.208 . 0 0 "[ . 1 . 2]" 2
94 1 122 LEU O 1 126 ALA H 0.000 . 2.300 1.927 1.588 2.304 0.004 14 0 "[ . 1 . 2]" 2
95 1 123 THR O 1 127 SER N 0.000 . 3.300 3.127 2.982 3.271 . 0 0 "[ . 1 . 2]" 2
96 1 123 THR O 1 127 SER H 0.000 . 2.300 2.345 2.247 2.432 0.132 11 0 "[ . 1 . 2]" 2
97 1 124 ILE O 1 128 VAL N 0.000 . 3.300 3.074 2.917 3.209 . 0 0 "[ . 1 . 2]" 2
98 1 124 ILE O 1 128 VAL H 0.000 . 2.300 2.188 1.971 2.331 0.031 19 0 "[ . 1 . 2]" 2
99 1 125 VAL O 1 129 TYR N 0.000 . 3.300 3.181 3.003 3.319 0.019 11 0 "[ . 1 . 2]" 2
100 1 125 VAL O 1 129 TYR H 0.000 . 2.300 2.319 2.073 2.405 0.105 17 0 "[ . 1 . 2]" 2
101 1 126 ALA O 1 130 LYS N 0.000 . 3.300 3.054 2.539 3.328 0.028 16 0 "[ . 1 . 2]" 2
102 1 126 ALA O 1 130 LYS H 0.000 . 2.300 2.189 1.614 2.370 0.070 5 0 "[ . 1 . 2]" 2
103 1 146 GLU O 1 150 LYS N 0.000 . 3.300 3.132 2.784 3.379 0.079 11 0 "[ . 1 . 2]" 2
104 1 146 GLU O 1 150 LYS H 0.000 . 2.300 2.240 1.918 2.415 0.115 11 0 "[ . 1 . 2]" 2
105 1 147 MET O 1 151 LYS N 0.000 . 3.300 3.221 3.058 3.317 0.017 17 0 "[ . 1 . 2]" 2
106 1 147 MET O 1 151 LYS H 0.000 . 2.300 2.338 2.217 2.423 0.123 15 0 "[ . 1 . 2]" 2
107 1 148 ARG O 1 152 ILE N 0.000 . 3.300 2.919 2.565 3.191 . 0 0 "[ . 1 . 2]" 2
108 1 148 ARG O 1 152 ILE H 0.000 . 2.300 1.969 1.598 2.300 . 0 0 "[ . 1 . 2]" 2
109 1 149 VAL O 1 153 PHE N 0.000 . 3.300 3.044 2.725 3.302 0.002 2 0 "[ . 1 . 2]" 2
110 1 149 VAL O 1 153 PHE H 0.000 . 2.300 2.107 1.778 2.338 0.038 19 0 "[ . 1 . 2]" 2
111 1 150 LYS O 1 154 LYS N 0.000 . 3.300 3.187 2.963 3.309 0.009 19 0 "[ . 1 . 2]" 2
112 1 150 LYS O 1 154 LYS H 0.000 . 2.300 2.307 2.156 2.380 0.080 11 0 "[ . 1 . 2]" 2
113 1 151 LYS O 1 155 LEU N 0.000 . 3.300 3.128 2.995 3.283 . 0 0 "[ . 1 . 2]" 2
114 1 151 LYS O 1 155 LEU H 0.000 . 2.300 2.271 2.096 2.359 0.059 17 0 "[ . 1 . 2]" 2
115 1 152 ILE O 1 156 MET N 0.000 . 3.300 2.885 2.419 3.248 . 0 0 "[ . 1 . 2]" 2
116 1 152 ILE O 1 156 MET H 0.000 . 2.300 2.149 1.573 2.359 0.059 15 0 "[ . 1 . 2]" 2
117 1 116 ILE N 1 164 ILE O 0.000 . 3.300 2.801 2.416 3.128 . 0 0 "[ . 1 . 2]" 2
118 1 116 ILE H 1 164 ILE O 0.000 . 2.300 1.928 1.522 2.323 0.023 12 0 "[ . 1 . 2]" 2
119 1 166 LEU O 1 170 ARG N 0.000 . 3.300 2.622 2.306 3.084 . 0 0 "[ . 1 . 2]" 2
120 1 166 LEU O 1 170 ARG H 0.000 . 2.300 1.761 1.446 2.300 . 0 0 "[ . 1 . 2]" 2
121 1 167 ASP O 1 171 GLU N 0.000 . 3.300 3.197 2.950 3.382 0.082 5 0 "[ . 1 . 2]" 2
122 1 167 ASP O 1 171 GLU H 0.000 . 2.300 2.250 2.018 2.413 0.113 5 0 "[ . 1 . 2]" 2
123 1 168 GLU O 1 172 GLY N 0.000 . 3.300 3.123 2.485 3.300 . 4 0 "[ . 1 . 2]" 2
124 1 168 GLU O 1 172 GLY H 0.000 . 2.300 2.228 1.818 2.352 0.052 8 0 "[ . 1 . 2]" 2
125 1 169 PHE O 1 173 SER N 0.000 . 3.300 2.829 2.431 3.215 . 0 0 "[ . 1 . 2]" 2
126 1 169 PHE O 1 173 SER H 0.000 . 2.300 1.968 1.483 2.311 0.011 10 0 "[ . 1 . 2]" 2
127 1 170 ARG O 1 174 LYS N 0.000 . 3.300 2.885 2.422 3.271 . 0 0 "[ . 1 . 2]" 2
128 1 170 ARG O 1 174 LYS H 0.000 . 2.300 2.056 1.524 2.334 0.034 2 0 "[ . 1 . 2]" 2
129 1 171 GLU O 1 175 VAL N 0.000 . 3.300 3.138 2.861 3.278 . 0 0 "[ . 1 . 2]" 2
130 1 171 GLU O 1 175 VAL H 0.000 . 2.300 2.220 1.963 2.345 0.045 5 0 "[ . 1 . 2]" 2
131 1 179 ILE O 1 183 LEU N 0.000 . 3.300 2.907 2.393 3.279 . 0 0 "[ . 1 . 2]" 2
132 1 179 ILE O 1 183 LEU H 0.000 . 2.300 2.059 1.511 2.398 0.098 19 0 "[ . 1 . 2]" 2
133 1 180 ILE O 1 184 ASN N 0.000 . 3.300 2.733 2.346 3.334 0.034 10 0 "[ . 1 . 2]" 2
134 1 180 ILE O 1 184 ASN H 0.000 . 2.300 1.917 1.456 2.483 0.183 3 0 "[ . 1 . 2]" 2
135 1 181 GLY O 1 185 LEU N 0.000 . 3.300 3.134 2.719 3.387 0.087 12 0 "[ . 1 . 2]" 2
136 1 181 GLY O 1 185 LEU H 0.000 . 2.300 2.276 1.964 2.457 0.157 11 0 "[ . 1 . 2]" 2
137 1 182 ALA O 1 186 TYR N 0.000 . 3.300 3.073 2.395 3.415 0.115 2 0 "[ . 1 . 2]" 2
138 1 182 ALA O 1 186 TYR H 0.000 . 2.300 2.333 1.555 2.623 0.323 11 0 "[ . 1 . 2]" 2
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