NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399012 |
1tr4   |
5898 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tr4
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 701
_Distance_constraint_stats_list.Viol_count 1500
_Distance_constraint_stats_list.Viol_total 945.909
_Distance_constraint_stats_list.Viol_max 0.444
_Distance_constraint_stats_list.Viol_rms 0.0174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0315
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 1.889 0.143 4 0 "[ . 1 . 2]"
1 6 SER 1.831 0.098 11 0 "[ . 1 . 2]"
1 7 ASN 0.005 0.005 15 0 "[ . 1 . 2]"
1 8 LEU 0.132 0.041 15 0 "[ . 1 . 2]"
1 10 VAL 0.263 0.035 14 0 "[ . 1 . 2]"
1 11 CYS 0.004 0.004 2 0 "[ . 1 . 2]"
1 12 ASN 0.857 0.079 6 0 "[ . 1 . 2]"
1 13 LEU 0.031 0.015 12 0 "[ . 1 . 2]"
1 14 ALA 1.012 0.078 19 0 "[ . 1 . 2]"
1 15 TYR 2.541 0.145 6 0 "[ . 1 . 2]"
1 16 SER 0.704 0.058 18 0 "[ . 1 . 2]"
1 17 GLY 0.319 0.046 11 0 "[ . 1 . 2]"
1 18 LYS 0.084 0.016 13 0 "[ . 1 . 2]"
1 19 LEU 0.745 0.063 6 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.150 0.025 7 0 "[ . 1 . 2]"
1 23 LYS 0.082 0.013 14 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.513 0.060 13 0 "[ . 1 . 2]"
1 27 LEU 0.103 0.054 7 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.444 0.060 13 0 "[ . 1 . 2]"
1 34 THR 0.772 0.106 4 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.500 0.091 16 0 "[ . 1 . 2]"
1 37 ASP 0.132 0.041 15 0 "[ . 1 . 2]"
1 38 GLN 0.106 0.023 15 0 "[ . 1 . 2]"
1 39 ASP 0.089 0.046 6 0 "[ . 1 . 2]"
1 40 SER 0.088 0.055 9 0 "[ . 1 . 2]"
1 41 ARG 0.806 0.082 15 0 "[ . 1 . 2]"
1 42 THR 1.177 0.106 4 0 "[ . 1 . 2]"
1 43 ALA 0.226 0.043 12 0 "[ . 1 . 2]"
1 45 HIS 0.283 0.055 9 0 "[ . 1 . 2]"
1 46 TRP 4.306 0.145 6 0 "[ . 1 . 2]"
1 47 ALA 1.686 0.078 19 0 "[ . 1 . 2]"
1 48 CYS 0.155 0.032 2 0 "[ . 1 . 2]"
1 49 SER 0.045 0.030 6 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.764 0.087 12 0 "[ . 1 . 2]"
1 52 HIS 0.917 0.054 12 0 "[ . 1 . 2]"
1 53 THR 0.087 0.021 2 0 "[ . 1 . 2]"
1 54 GLU 0.208 0.047 4 0 "[ . 1 . 2]"
1 55 ILE 0.237 0.058 18 0 "[ . 1 . 2]"
1 56 VAL 0.534 0.070 4 0 "[ . 1 . 2]"
1 57 GLU 0.017 0.013 13 0 "[ . 1 . 2]"
1 58 PHE 0.671 0.063 6 0 "[ . 1 . 2]"
1 60 LEU 0.503 0.065 5 0 "[ . 1 . 2]"
1 62 LEU 0.198 0.054 7 0 "[ . 1 . 2]"
1 63 GLY 0.016 0.010 2 0 "[ . 1 . 2]"
1 64 VAL 0.095 0.025 12 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.071 0.016 17 0 "[ . 1 . 2]"
1 67 ASN 0.075 0.014 12 0 "[ . 1 . 2]"
1 68 ASP 0.053 0.021 1 0 "[ . 1 . 2]"
1 69 LYS 0.446 0.059 1 0 "[ . 1 . 2]"
1 70 ASP 0.201 0.055 9 0 "[ . 1 . 2]"
1 71 ASP 0.134 0.055 9 0 "[ . 1 . 2]"
1 72 ALA 0.137 0.031 11 0 "[ . 1 . 2]"
1 73 GLY 6.233 0.444 11 0 "[ . 1 . 2]"
1 74 TRP 1.086 0.087 2 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 6.307 0.204 2 0 "[ . 1 . 2]"
1 79 ILE 0.200 0.032 2 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.454 0.087 2 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.015 0.015 18 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.061 0.020 14 0 "[ . 1 . 2]"
1 87 GLU 0.014 0.007 16 0 "[ . 1 . 2]"
1 88 ILE 0.800 0.087 12 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.065 0.014 9 0 "[ . 1 . 2]"
1 91 ALA 0.017 0.013 13 0 "[ . 1 . 2]"
1 95 LYS 0.581 0.065 5 0 "[ . 1 . 2]"
1 97 ALA 0.009 0.006 10 0 "[ . 1 . 2]"
1 98 GLN 0.075 0.014 12 0 "[ . 1 . 2]"
1 99 VAL 0.356 0.049 5 0 "[ . 1 . 2]"
1 100 ASN 0.175 0.032 20 0 "[ . 1 . 2]"
1 101 ALA 0.010 0.008 3 0 "[ . 1 . 2]"
1 102 VAL 2.533 0.157 8 0 "[ . 1 . 2]"
1 103 ASN 7.091 0.444 11 0 "[ . 1 . 2]"
1 104 GLN 0.746 0.055 4 0 "[ . 1 . 2]"
1 105 ASN 0.126 0.081 20 0 "[ . 1 . 2]"
1 106 GLY 0.118 0.036 8 0 "[ . 1 . 2]"
1 107 CYS 2.349 0.204 2 0 "[ . 1 . 2]"
1 108 THR 3.123 0.157 8 0 "[ . 1 . 2]"
1 111 HIS 1.102 0.070 14 0 "[ . 1 . 2]"
1 112 TYR 2.256 0.160 17 0 "[ . 1 . 2]"
1 113 ALA 0.069 0.023 6 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ARG 0.069 0.023 6 0 "[ . 1 . 2]"
1 119 HIS 0.703 0.040 7 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.076 0.020 14 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 VAL 0.012 0.007 9 0 "[ . 1 . 2]"
1 124 MET 0.065 0.014 9 0 "[ . 1 . 2]"
1 126 LEU 0.084 0.009 5 0 "[ . 1 . 2]"
1 127 GLU 0.982 0.085 14 0 "[ . 1 . 2]"
1 129 GLY 0.234 0.037 2 0 "[ . 1 . 2]"
1 130 ALA 0.122 0.049 5 0 "[ . 1 . 2]"
1 131 ASN 0.125 0.032 20 0 "[ . 1 . 2]"
1 133 ASP 0.078 0.020 6 0 "[ . 1 . 2]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 LYS 0.448 0.049 16 0 "[ . 1 . 2]"
1 136 ASP 0.149 0.023 4 0 "[ . 1 . 2]"
1 137 HIS 0.494 0.081 20 0 "[ . 1 . 2]"
1 138 TYR 0.406 0.075 8 0 "[ . 1 . 2]"
1 139 GLU 0.076 0.027 4 0 "[ . 1 . 2]"
1 140 ALA 0.287 0.049 16 0 "[ . 1 . 2]"
1 141 THR 0.792 0.050 9 0 "[ . 1 . 2]"
1 142 ALA 0.637 0.070 14 0 "[ . 1 . 2]"
1 143 MET 0.334 0.048 7 0 "[ . 1 . 2]"
1 144 HIS 2.126 0.135 7 0 "[ . 1 . 2]"
1 147 ALA 0.095 0.032 7 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 ASN 0.017 0.012 17 0 "[ . 1 . 2]"
1 152 LEU 0.152 0.017 18 0 "[ . 1 . 2]"
1 153 LYS 0.304 0.036 10 0 "[ . 1 . 2]"
1 154 MET 0.052 0.011 6 0 "[ . 1 . 2]"
1 155 ILE 0.119 0.032 7 0 "[ . 1 . 2]"
1 156 HIS 0.002 0.001 4 0 "[ . 1 . 2]"
1 157 ILE 0.343 0.040 7 0 "[ . 1 . 2]"
1 159 LEU 0.165 0.026 16 0 "[ . 1 . 2]"
1 160 TYR 0.084 0.009 5 0 "[ . 1 . 2]"
1 161 TYR 0.982 0.085 14 0 "[ . 1 . 2]"
1 163 ALA 0.381 0.048 7 0 "[ . 1 . 2]"
1 164 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 ASN 0.281 0.059 16 0 "[ . 1 . 2]"
1 167 ILE 0.117 0.033 4 0 "[ . 1 . 2]"
1 168 GLN 0.124 0.034 19 0 "[ . 1 . 2]"
1 169 ASP 0.214 0.039 20 0 "[ . 1 . 2]"
1 170 THR 0.377 0.075 8 0 "[ . 1 . 2]"
1 171 GLU 0.538 0.091 14 0 "[ . 1 . 2]"
1 172 GLY 0.348 0.057 20 0 "[ . 1 . 2]"
1 173 ASN 0.215 0.039 7 0 "[ . 1 . 2]"
1 174 THR 2.145 0.135 7 0 "[ . 1 . 2]"
1 175 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 176 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 HIS 2.929 0.110 8 0 "[ . 1 . 2]"
1 178 LEU 0.229 0.039 7 0 "[ . 1 . 2]"
1 179 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 180 CYS 0.002 0.002 2 0 "[ . 1 . 2]"
1 181 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 183 GLU 0.056 0.043 11 0 "[ . 1 . 2]"
1 184 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 186 GLU 0.076 0.017 18 0 "[ . 1 . 2]"
1 187 GLU 0.019 0.008 14 0 "[ . 1 . 2]"
1 188 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 190 LEU 0.079 0.013 9 0 "[ . 1 . 2]"
1 191 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 VAL 0.055 0.010 1 0 "[ . 1 . 2]"
1 193 SER 0.134 0.016 13 0 "[ . 1 . 2]"
1 194 GLN 0.165 0.026 16 0 "[ . 1 . 2]"
1 196 ALA 0.065 0.059 16 0 "[ . 1 . 2]"
1 197 SER 0.061 0.018 20 0 "[ . 1 . 2]"
1 198 ILE 0.750 0.057 16 0 "[ . 1 . 2]"
1 199 TYR 1.472 0.137 8 0 "[ . 1 . 2]"
1 200 ILE 0.819 0.064 12 0 "[ . 1 . 2]"
1 201 GLU 1.159 0.105 8 0 "[ . 1 . 2]"
1 202 ASN 0.895 0.057 20 0 "[ . 1 . 2]"
1 203 LYS 0.538 0.091 14 0 "[ . 1 . 2]"
1 206 LYS 1.020 0.110 8 0 "[ . 1 . 2]"
1 207 THR 2.993 0.137 8 0 "[ . 1 . 2]"
1 208 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 209 LEU 0.010 0.010 20 0 "[ . 1 . 2]"
1 211 VAL 0.021 0.016 1 0 "[ . 1 . 2]"
1 212 ALA 0.583 0.045 8 0 "[ . 1 . 2]"
1 213 LYS 0.056 0.043 11 0 "[ . 1 . 2]"
1 217 GLY 0.371 0.045 8 0 "[ . 1 . 2]"
1 218 LEU 0.076 0.028 16 0 "[ . 1 . 2]"
1 220 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 221 LYS 0.056 0.023 14 0 "[ . 1 . 2]"
1 223 MET 0.189 0.016 13 0 "[ . 1 . 2]"
1 224 VAL 0.338 0.057 16 0 "[ . 1 . 2]"
1 225 GLU 0.590 0.052 6 0 "[ . 1 . 2]"
1 226 GLY 0.015 0.015 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS HB2 1 12 ASN CB 5.000 . 7.000 3.981 2.632 5.400 . 0 0 "[ . 1 . 2]" 1
2 1 4 CYS HB3 1 12 ASN CB 5.000 . 7.000 3.270 2.439 4.657 . 0 0 "[ . 1 . 2]" 1
3 1 4 CYS HB2 1 12 ASN HD21 5.000 . 6.000 3.282 1.912 4.942 . 0 0 "[ . 1 . 2]" 1
4 1 4 CYS HB2 1 12 ASN HD22 5.000 . 6.000 4.025 2.605 5.607 . 0 0 "[ . 1 . 2]" 1
5 1 4 CYS HB3 1 12 ASN HD21 5.000 . 6.000 2.819 1.971 4.377 . 0 0 "[ . 1 . 2]" 1
6 1 4 CYS HB3 1 12 ASN HD22 5.000 . 6.000 3.524 2.721 4.511 . 0 0 "[ . 1 . 2]" 1
7 1 5 VAL H 1 12 ASN CB 4.000 . 6.000 2.833 2.528 4.458 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL CG2 1 12 ASN H 5.000 . 7.000 4.312 3.734 5.094 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL CG2 1 12 ASN HA 4.000 . 6.000 3.001 2.574 3.358 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL CG1 1 12 ASN HB2 5.000 . 7.000 5.845 3.828 7.055 0.055 20 0 "[ . 1 . 2]" 1
11 1 5 VAL CG1 1 12 ASN HB3 5.000 . 7.000 4.459 2.973 5.570 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL CG2 1 12 ASN HB2 4.000 . 6.000 4.639 3.938 5.274 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL CG2 1 12 ASN HB3 4.000 . 6.000 3.324 2.255 4.094 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL CG1 1 15 TYR H 5.000 . 7.000 6.071 5.320 7.097 0.097 20 0 "[ . 1 . 2]" 1
15 1 5 VAL CG2 1 15 TYR H 4.000 . 6.000 5.856 5.193 6.063 0.063 14 0 "[ . 1 . 2]" 1
16 1 5 VAL CG2 1 15 TYR CB 5.000 . 8.000 4.894 4.190 5.161 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL CG1 1 15 TYR CG 3.000 . 6.700 3.780 2.991 5.138 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL CG1 1 15 TYR CZ 2.500 . 5.700 4.466 3.209 5.731 0.031 4 0 "[ . 1 . 2]" 1
19 1 5 VAL CG2 1 15 TYR CG 3.000 . 6.700 5.106 4.466 5.405 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL CG2 1 15 TYR CZ 3.000 . 6.700 6.461 5.564 6.749 0.049 8 0 "[ . 1 . 2]" 1
21 1 5 VAL CG2 1 16 SER H 5.000 . 7.000 6.801 6.174 7.009 0.009 13 0 "[ . 1 . 2]" 1
22 1 5 VAL CG1 1 46 TRP HD1 5.000 . 7.000 6.759 6.078 7.143 0.143 4 0 "[ . 1 . 2]" 1
23 1 5 VAL CG2 1 46 TRP HD1 5.000 . 7.000 5.708 4.894 6.265 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL CG1 1 46 TRP HE1 5.000 . 7.000 5.916 5.454 6.202 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL CG2 1 46 TRP HE1 5.000 . 7.000 4.664 3.710 5.171 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL CG1 1 46 TRP HZ2 3.000 . 4.700 4.593 4.029 4.772 0.072 6 0 "[ . 1 . 2]" 1
27 1 5 VAL CG2 1 46 TRP HZ2 3.000 . 4.700 4.012 3.355 4.638 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL CG1 1 46 TRP HZ3 3.000 . 4.700 3.355 2.876 4.717 0.017 4 0 "[ . 1 . 2]" 1
29 1 5 VAL CG2 1 46 TRP HZ3 4.000 . 6.000 4.902 4.670 5.518 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL CG1 1 46 TRP HH2 3.000 . 4.700 3.655 3.011 4.352 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL CG2 1 46 TRP HH2 3.000 . 4.700 4.368 4.100 4.770 0.070 15 0 "[ . 1 . 2]" 1
32 1 6 SER H 1 12 ASN CB 3.000 . 4.700 4.681 4.293 4.779 0.079 6 0 "[ . 1 . 2]" 1
33 1 6 SER H 1 12 ASN HD21 4.000 . 5.000 4.187 3.040 4.954 . 0 0 "[ . 1 . 2]" 1
34 1 6 SER H 1 12 ASN HD22 4.000 . 5.000 4.135 3.461 5.038 0.038 11 0 "[ . 1 . 2]" 1
35 1 6 SER HA 1 38 GLN HE21 5.000 . 6.000 5.538 4.241 6.017 0.017 18 0 "[ . 1 . 2]" 1
36 1 6 SER HA 1 38 GLN HE22 5.000 . 6.000 5.312 4.144 6.023 0.023 15 0 "[ . 1 . 2]" 1
37 1 6 SER H 1 46 TRP HH2 4.000 . 5.000 5.034 4.836 5.098 0.098 11 0 "[ . 1 . 2]" 1
38 1 7 ASN H 1 12 ASN ND2 5.000 . 7.000 4.381 2.837 5.619 . 0 0 "[ . 1 . 2]" 1
39 1 7 ASN H 1 38 GLN HE21 5.000 . 6.000 4.473 2.364 5.471 . 0 0 "[ . 1 . 2]" 1
40 1 7 ASN H 1 38 GLN HE22 5.000 . 6.000 4.762 2.015 5.981 . 0 0 "[ . 1 . 2]" 1
41 1 7 ASN CB 1 38 GLN HE21 5.000 . 7.000 4.625 2.955 6.088 . 0 0 "[ . 1 . 2]" 1
42 1 7 ASN CB 1 38 GLN HE22 5.000 . 7.000 5.161 3.281 7.005 0.005 15 0 "[ . 1 . 2]" 1
43 1 8 LEU CG 1 35 ARG CD 4.000 . 8.000 5.698 3.840 6.894 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU CG 1 36 THR H 4.000 . 7.000 5.663 5.080 6.224 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU CG 1 37 ASP H 3.000 . 5.700 5.090 4.309 5.741 0.041 15 0 "[ . 1 . 2]" 1
46 1 10 VAL CG1 1 26 ILE H 4.000 . 6.000 5.237 4.643 6.006 0.006 1 0 "[ . 1 . 2]" 1
47 1 10 VAL CG1 1 33 ALA H 4.000 . 6.000 5.838 5.242 6.027 0.027 15 0 "[ . 1 . 2]" 1
48 1 10 VAL CG2 1 33 ALA H 4.000 . 6.000 5.896 5.523 6.035 0.035 14 0 "[ . 1 . 2]" 1
49 1 11 CYS H 1 43 ALA CB 5.000 . 7.000 4.987 4.490 5.385 . 0 0 "[ . 1 . 2]" 1
50 1 11 CYS HB2 1 46 TRP HD1 5.000 . 6.000 3.733 1.796 4.624 0.004 2 0 "[ . 1 . 2]" 1
51 1 11 CYS HB3 1 46 TRP HD1 5.000 . 6.000 2.721 1.959 3.920 . 0 0 "[ . 1 . 2]" 1
52 1 13 LEU HA 1 18 LYS H 3.000 . 3.700 3.465 3.273 3.715 0.015 12 0 "[ . 1 . 2]" 1
53 1 13 LEU HA 1 18 LYS CG 4.000 . 7.000 3.685 2.454 4.540 . 0 0 "[ . 1 . 2]" 1
54 1 13 LEU HA 1 18 LYS CD 3.000 . 4.700 4.163 2.608 4.699 . 0 0 "[ . 1 . 2]" 1
55 1 13 LEU CG 1 18 LYS CD 2.500 . 5.700 4.461 3.312 5.184 . 0 0 "[ . 1 . 2]" 1
56 1 13 LEU CG 1 18 LYS CE 3.000 . 6.700 5.439 4.124 6.702 0.002 14 0 "[ . 1 . 2]" 1
57 1 13 LEU CG 1 21 GLU H 4.000 . 7.000 5.440 5.085 5.763 . 0 0 "[ . 1 . 2]" 1
58 1 13 LEU CG 1 22 LEU H 4.000 . 7.000 4.583 4.047 5.317 . 0 0 "[ . 1 . 2]" 1
59 1 14 ALA CB 1 43 ALA CB 2.500 . 4.700 3.510 2.961 3.968 . 0 0 "[ . 1 . 2]" 1
60 1 14 ALA CB 1 43 ALA H 5.000 . 7.000 5.841 5.315 6.301 . 0 0 "[ . 1 . 2]" 1
61 1 14 ALA CB 1 46 TRP CB 4.000 . 7.000 4.594 4.265 5.042 . 0 0 "[ . 1 . 2]" 1
62 1 14 ALA CB 1 46 TRP H 5.000 . 7.000 5.418 4.971 5.638 . 0 0 "[ . 1 . 2]" 1
63 1 14 ALA H 1 47 ALA H 5.000 . 6.000 6.051 6.029 6.078 0.078 19 0 "[ . 1 . 2]" 1
64 1 14 ALA CB 1 47 ALA H 3.000 . 4.700 3.937 3.789 4.079 . 0 0 "[ . 1 . 2]" 1
65 1 14 ALA CB 1 47 ALA HA 3.000 . 4.700 4.044 3.778 4.480 . 0 0 "[ . 1 . 2]" 1
66 1 14 ALA HA 1 55 ILE CD1 4.000 . 6.000 2.509 2.423 2.789 . 0 0 "[ . 1 . 2]" 1
67 1 14 ALA CB 1 55 ILE CD1 3.000 . 5.700 4.159 3.871 4.731 . 0 0 "[ . 1 . 2]" 1
68 1 15 TYR H 1 46 TRP HA 5.000 . 6.000 5.821 5.600 6.005 0.005 16 0 "[ . 1 . 2]" 1
69 1 15 TYR CG 1 46 TRP HA 4.000 . 7.000 4.797 4.368 5.036 . 0 0 "[ . 1 . 2]" 1
70 1 15 TYR CZ 1 46 TRP HA 4.000 . 7.000 5.377 4.661 5.614 . 0 0 "[ . 1 . 2]" 1
71 1 15 TYR CZ 1 46 TRP CB 4.000 . 8.000 6.015 5.340 6.346 . 0 0 "[ . 1 . 2]" 1
72 1 15 TYR CZ 1 46 TRP HZ2 4.000 . 7.000 7.076 6.995 7.145 0.145 6 0 "[ . 1 . 2]" 1
73 1 15 TYR CZ 1 46 TRP HH2 5.000 . 8.000 5.388 5.222 5.776 . 0 0 "[ . 1 . 2]" 1
74 1 15 TYR H 1 47 ALA CB 5.000 . 7.000 5.925 5.669 6.135 . 0 0 "[ . 1 . 2]" 1
75 1 15 TYR CG 1 47 ALA H 5.000 . 8.000 6.465 6.148 6.685 . 0 0 "[ . 1 . 2]" 1
76 1 15 TYR CZ 1 47 ALA H 5.000 . 8.000 7.948 7.470 8.026 0.026 20 0 "[ . 1 . 2]" 1
77 1 15 TYR CZ 1 50 ALA H 5.000 . 8.000 5.667 5.185 6.025 . 0 0 "[ . 1 . 2]" 1
78 1 15 TYR CG 1 50 ALA HA 4.000 . 7.000 5.625 4.972 6.267 . 0 0 "[ . 1 . 2]" 1
79 1 15 TYR CZ 1 50 ALA HA 3.000 . 5.700 4.961 4.320 5.488 . 0 0 "[ . 1 . 2]" 1
80 1 15 TYR CZ 1 51 GLY H 5.000 . 8.000 7.681 7.298 8.031 0.031 4 0 "[ . 1 . 2]" 1
81 1 15 TYR H 1 52 HIS HD2 5.000 . 6.000 4.996 4.788 5.275 . 0 0 "[ . 1 . 2]" 1
82 1 15 TYR H 1 55 ILE CD1 5.000 . 7.000 5.480 5.294 6.065 . 0 0 "[ . 1 . 2]" 1
83 1 16 SER H 1 52 HIS HD2 5.000 . 6.000 4.882 4.736 5.099 . 0 0 "[ . 1 . 2]" 1
84 1 16 SER HA 1 52 HIS HD2 4.000 . 5.000 4.984 4.732 5.054 0.054 12 0 "[ . 1 . 2]" 1
85 1 16 SER HA 1 52 HIS HE1 4.000 . 5.000 4.927 4.185 5.025 0.025 12 0 "[ . 1 . 2]" 1
86 1 16 SER H 1 55 ILE CD1 4.000 . 6.000 5.670 5.522 6.058 0.058 18 0 "[ . 1 . 2]" 1
87 1 17 GLY H 1 52 HIS HD2 4.000 . 5.000 3.555 3.306 3.729 . 0 0 "[ . 1 . 2]" 1
88 1 17 GLY HA2 1 52 HIS HD2 4.000 . 5.000 3.483 2.996 3.793 . 0 0 "[ . 1 . 2]" 1
89 1 17 GLY HA3 1 52 HIS HD2 4.000 . 5.000 4.291 3.988 4.622 . 0 0 "[ . 1 . 2]" 1
90 1 17 GLY HA2 1 52 HIS HE1 3.000 . 3.700 3.694 3.311 3.746 0.046 11 0 "[ . 1 . 2]" 1
91 1 17 GLY HA3 1 52 HIS HE1 3.000 . 3.700 2.635 2.425 3.024 . 0 0 "[ . 1 . 2]" 1
92 1 17 GLY H 1 55 ILE CD1 3.000 . 4.700 3.713 3.506 4.248 . 0 0 "[ . 1 . 2]" 1
93 1 17 GLY HA2 1 55 ILE CD1 4.000 . 6.000 2.497 2.354 3.007 . 0 0 "[ . 1 . 2]" 1
94 1 17 GLY HA3 1 55 ILE CD1 4.000 . 6.000 4.190 4.072 4.554 . 0 0 "[ . 1 . 2]" 1
95 1 18 LYS H 1 52 HIS HD2 5.000 . 6.000 5.805 5.424 6.008 0.008 2 0 "[ . 1 . 2]" 1
96 1 18 LYS H 1 55 ILE CD1 3.000 . 4.700 4.268 3.392 4.716 0.016 13 0 "[ . 1 . 2]" 1
97 1 18 LYS HA 1 55 ILE CD1 4.000 . 6.000 5.672 4.694 6.006 0.006 2 0 "[ . 1 . 2]" 1
98 1 19 LEU CD1 1 54 GLU H 5.000 . 7.000 6.431 5.781 7.047 0.047 4 0 "[ . 1 . 2]" 1
99 1 19 LEU CD2 1 54 GLU H 5.000 . 7.000 6.455 6.190 6.917 . 0 0 "[ . 1 . 2]" 1
100 1 19 LEU CG 1 54 GLU HB2 2.500 . 4.700 4.572 3.029 4.710 0.010 8 0 "[ . 1 . 2]" 1
101 1 19 LEU CG 1 54 GLU HB3 2.500 . 4.700 3.414 2.821 4.676 . 0 0 "[ . 1 . 2]" 1
102 1 19 LEU CD1 1 54 GLU HB2 4.000 . 6.000 4.698 3.641 5.516 . 0 0 "[ . 1 . 2]" 1
103 1 19 LEU CD1 1 54 GLU HB3 4.000 . 6.000 3.607 3.008 5.327 . 0 0 "[ . 1 . 2]" 1
104 1 19 LEU CD2 1 54 GLU HB2 4.000 . 6.000 4.730 3.813 5.824 . 0 0 "[ . 1 . 2]" 1
105 1 19 LEU CD2 1 54 GLU HB3 4.000 . 6.000 3.418 2.681 5.445 . 0 0 "[ . 1 . 2]" 1
106 1 19 LEU CG 1 54 GLU CG 3.000 . 6.700 4.925 3.680 5.877 . 0 0 "[ . 1 . 2]" 1
107 1 19 LEU HA 1 55 ILE CD1 4.000 . 6.000 4.048 2.696 4.530 . 0 0 "[ . 1 . 2]" 1
108 1 19 LEU CD1 1 55 ILE HA 4.000 . 6.000 3.486 2.446 5.068 . 0 0 "[ . 1 . 2]" 1
109 1 19 LEU CD2 1 55 ILE HA 4.000 . 6.000 3.974 2.393 5.596 . 0 0 "[ . 1 . 2]" 1
110 1 19 LEU CG 1 55 ILE CD1 4.000 . 8.000 5.545 4.525 6.231 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU CD1 1 58 PHE HA 4.000 . 6.000 5.787 5.031 6.063 0.063 6 0 "[ . 1 . 2]" 1
112 1 19 LEU CD2 1 58 PHE HA 5.000 . 7.000 6.240 5.126 7.022 0.022 17 0 "[ . 1 . 2]" 1
113 1 19 LEU CD1 1 58 PHE CG 3.000 . 6.700 4.536 3.969 5.086 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU CD2 1 58 PHE CG 3.000 . 6.700 5.033 3.571 6.200 . 0 0 "[ . 1 . 2]" 1
115 1 19 LEU CG 1 58 PHE CZ 2.500 . 6.700 6.651 6.235 6.737 0.037 7 0 "[ . 1 . 2]" 1
116 1 22 LEU H 1 55 ILE CD1 5.000 . 7.000 6.749 5.305 7.025 0.025 7 0 "[ . 1 . 2]" 1
117 1 22 LEU H 1 58 PHE CZ 5.000 . 8.000 6.539 5.766 7.335 . 0 0 "[ . 1 . 2]" 1
118 1 22 LEU HG 1 58 PHE CG 4.000 . 7.000 6.371 4.970 7.013 0.013 6 0 "[ . 1 . 2]" 1
119 1 22 LEU HG 1 58 PHE CZ 4.000 . 7.000 5.643 3.825 6.406 . 0 0 "[ . 1 . 2]" 1
120 1 23 LYS H 1 58 PHE CZ 4.000 . 7.000 4.562 3.994 5.064 . 0 0 "[ . 1 . 2]" 1
121 1 23 LYS HA 1 58 PHE CG 4.000 . 7.000 4.413 3.990 4.677 . 0 0 "[ . 1 . 2]" 1
122 1 23 LYS HA 1 58 PHE CZ 3.000 . 5.700 2.427 2.350 2.520 . 0 0 "[ . 1 . 2]" 1
123 1 23 LYS CB 1 58 PHE CG 3.000 . 6.700 5.241 4.906 5.461 . 0 0 "[ . 1 . 2]" 1
124 1 23 LYS CB 1 58 PHE CZ 2.500 . 5.700 4.072 3.575 4.409 . 0 0 "[ . 1 . 2]" 1
125 1 23 LYS HG2 1 58 PHE CG 4.000 . 7.000 3.338 2.804 4.552 . 0 0 "[ . 1 . 2]" 1
126 1 23 LYS HG3 1 58 PHE CG 4.000 . 7.000 4.710 4.019 5.426 . 0 0 "[ . 1 . 2]" 1
127 1 23 LYS HG2 1 58 PHE CZ 3.000 . 5.700 3.079 2.496 4.502 . 0 0 "[ . 1 . 2]" 1
128 1 23 LYS HG3 1 58 PHE CZ 3.000 . 5.700 4.716 4.226 5.405 . 0 0 "[ . 1 . 2]" 1
129 1 23 LYS CD 1 58 PHE HA 4.000 . 6.000 5.883 4.908 6.013 0.013 14 0 "[ . 1 . 2]" 1
130 1 23 LYS CD 1 58 PHE CG 4.000 . 8.000 4.345 3.349 4.845 . 0 0 "[ . 1 . 2]" 1
131 1 23 LYS CD 1 58 PHE CZ 3.000 . 6.700 4.401 3.503 5.075 . 0 0 "[ . 1 . 2]" 1
132 1 23 LYS HE2 1 58 PHE CG 4.000 . 7.000 4.842 2.648 5.510 . 0 0 "[ . 1 . 2]" 1
133 1 23 LYS HE2 1 58 PHE CZ 4.000 . 7.000 5.764 4.044 6.326 . 0 0 "[ . 1 . 2]" 1
134 1 23 LYS HE3 1 58 PHE CG 4.000 . 7.000 5.994 4.397 6.561 . 0 0 "[ . 1 . 2]" 1
135 1 23 LYS HE3 1 58 PHE CZ 4.000 . 7.000 6.246 5.292 6.914 . 0 0 "[ . 1 . 2]" 1
136 1 24 GLU H 1 58 PHE CZ 5.000 . 8.000 5.859 5.722 6.010 . 0 0 "[ . 1 . 2]" 1
137 1 25 SER H 1 58 PHE CZ 5.000 . 8.000 6.179 5.737 6.681 . 0 0 "[ . 1 . 2]" 1
138 1 26 ILE CG2 1 31 SER H 5.000 . 7.000 6.780 6.675 6.912 . 0 0 "[ . 1 . 2]" 1
139 1 26 ILE CD1 1 33 ALA H 3.000 . 4.700 4.605 3.809 4.760 0.060 13 0 "[ . 1 . 2]" 1
140 1 26 ILE CD1 1 43 ALA H 5.000 . 7.000 6.993 6.747 7.043 0.043 12 0 "[ . 1 . 2]" 1
141 1 26 ILE HG12 1 58 PHE CZ 4.000 . 7.000 5.198 2.976 6.327 . 0 0 "[ . 1 . 2]" 1
142 1 26 ILE HG13 1 58 PHE CZ 4.000 . 7.000 4.240 2.873 5.270 . 0 0 "[ . 1 . 2]" 1
143 1 26 ILE CD1 1 58 PHE CZ 3.000 . 6.700 4.024 3.302 5.307 . 0 0 "[ . 1 . 2]" 1
144 1 26 ILE CG2 1 62 LEU HG 4.000 . 6.000 5.830 5.227 6.018 0.018 9 0 "[ . 1 . 2]" 1
145 1 26 ILE CG2 1 62 LEU CD1 3.000 . 5.700 3.882 3.556 4.092 . 0 0 "[ . 1 . 2]" 1
146 1 26 ILE CG2 1 62 LEU CD2 3.000 . 5.700 4.944 3.930 5.371 . 0 0 "[ . 1 . 2]" 1
147 1 26 ILE CD1 1 62 LEU CG 4.000 . 7.000 5.880 5.042 7.011 0.011 17 0 "[ . 1 . 2]" 1
148 1 27 LEU H 1 58 PHE CZ 4.000 . 7.000 4.966 4.601 5.267 . 0 0 "[ . 1 . 2]" 1
149 1 27 LEU H 1 62 LEU CD1 5.000 . 7.000 6.207 5.737 6.608 . 0 0 "[ . 1 . 2]" 1
150 1 27 LEU H 1 62 LEU CD2 5.000 . 7.000 6.807 6.026 7.054 0.054 7 0 "[ . 1 . 2]" 1
151 1 27 LEU HG 1 62 LEU CG 5.000 . 8.000 6.046 5.483 7.449 . 0 0 "[ . 1 . 2]" 1
152 1 34 THR HA 1 42 THR HA 4.000 . 5.000 5.034 5.004 5.106 0.106 4 0 "[ . 1 . 2]" 1
153 1 34 THR HA 1 64 VAL CB 5.000 . 8.000 5.586 5.230 5.933 . 0 0 "[ . 1 . 2]" 1
154 1 34 THR CG2 1 64 VAL H 5.000 . 7.000 6.852 6.370 7.025 0.025 12 0 "[ . 1 . 2]" 1
155 1 34 THR CG2 1 64 VAL HA 3.000 . 4.700 4.192 3.742 4.471 . 0 0 "[ . 1 . 2]" 1
156 1 34 THR CG2 1 65 PRO CB 4.000 . 7.000 5.308 4.818 6.147 . 0 0 "[ . 1 . 2]" 1
157 1 34 THR CG2 1 65 PRO CG 4.000 . 7.000 3.914 3.374 4.694 . 0 0 "[ . 1 . 2]" 1
158 1 34 THR CG2 1 65 PRO HD2 3.000 . 4.700 3.054 2.505 3.645 . 0 0 "[ . 1 . 2]" 1
159 1 34 THR CG2 1 65 PRO HD3 3.000 . 4.700 3.329 2.710 4.147 . 0 0 "[ . 1 . 2]" 1
160 1 36 THR CG2 1 41 ARG H 5.000 . 7.000 4.621 4.030 6.025 . 0 0 "[ . 1 . 2]" 1
161 1 36 THR HA 1 42 THR HA 3.000 . 3.700 3.691 3.439 3.791 0.091 16 0 "[ . 1 . 2]" 1
162 1 37 ASP H 1 42 THR HA 5.000 . 6.000 5.033 3.982 5.988 . 0 0 "[ . 1 . 2]" 1
163 1 39 ASP H 1 46 TRP HZ2 5.000 . 6.000 5.516 4.939 6.017 0.017 2 0 "[ . 1 . 2]" 1
164 1 39 ASP HA 1 71 ASP H 5.000 . 6.000 5.063 4.053 6.046 0.046 6 0 "[ . 1 . 2]" 1
165 1 39 ASP HA 1 71 ASP CB 5.000 . 7.000 4.115 3.153 5.842 . 0 0 "[ . 1 . 2]" 1
166 1 40 SER CB 1 70 ASP HA 4.000 . 6.000 3.909 2.952 4.744 . 0 0 "[ . 1 . 2]" 1
167 1 40 SER H 1 71 ASP CB 5.000 . 7.000 5.604 4.785 7.055 0.055 9 0 "[ . 1 . 2]" 1
168 1 41 ARG H 1 46 TRP HE1 5.000 . 6.000 4.721 3.973 5.642 . 0 0 "[ . 1 . 2]" 1
169 1 41 ARG H 1 46 TRP HZ2 5.000 . 6.000 6.040 6.010 6.082 0.082 15 0 "[ . 1 . 2]" 1
170 1 45 HIS HE1 1 68 ASP H 5.000 . 6.000 4.906 4.221 5.450 . 0 0 "[ . 1 . 2]" 1
171 1 45 HIS HE2 1 68 ASP H 5.000 . 6.000 5.739 5.082 6.021 0.021 1 0 "[ . 1 . 2]" 1
172 1 45 HIS HE1 1 69 LYS H 5.000 . 6.000 5.634 5.052 6.020 0.020 13 0 "[ . 1 . 2]" 1
173 1 45 HIS HE1 1 69 LYS HA 5.000 . 6.000 5.012 4.398 5.829 . 0 0 "[ . 1 . 2]" 1
174 1 45 HIS HE2 1 69 LYS H 5.000 . 6.000 5.531 5.079 5.937 . 0 0 "[ . 1 . 2]" 1
175 1 45 HIS HD2 1 70 ASP HA 5.000 . 6.000 5.807 5.224 6.055 0.055 9 0 "[ . 1 . 2]" 1
176 1 45 HIS HD2 1 70 ASP CB 5.000 . 7.000 4.423 3.913 4.752 . 0 0 "[ . 1 . 2]" 1
177 1 45 HIS HE1 1 70 ASP H 5.000 . 6.000 4.662 3.616 5.643 . 0 0 "[ . 1 . 2]" 1
178 1 45 HIS HE2 1 70 ASP H 4.000 . 5.000 3.068 2.375 3.828 . 0 0 "[ . 1 . 2]" 1
179 1 45 HIS HD2 1 74 TRP CB 5.000 . 7.000 5.509 3.698 6.073 . 0 0 "[ . 1 . 2]" 1
180 1 45 HIS HD2 1 75 SER HA 5.000 . 6.000 4.198 3.450 4.933 . 0 0 "[ . 1 . 2]" 1
181 1 45 HIS HE1 1 75 SER HA 5.000 . 6.000 4.852 4.274 5.644 . 0 0 "[ . 1 . 2]" 1
182 1 45 HIS HD2 1 79 ILE CD1 4.000 . 6.000 2.857 2.444 4.132 . 0 0 "[ . 1 . 2]" 1
183 1 47 ALA HA 1 52 HIS H 4.000 . 5.000 3.902 3.408 4.555 . 0 0 "[ . 1 . 2]" 1
184 1 47 ALA CB 1 52 HIS H 4.000 . 6.000 4.809 4.037 5.629 . 0 0 "[ . 1 . 2]" 1
185 1 47 ALA H 1 56 VAL CG1 5.000 . 7.000 5.825 4.702 7.035 0.035 5 0 "[ . 1 . 2]" 1
186 1 47 ALA H 1 56 VAL CG2 5.000 . 7.000 6.679 5.531 7.070 0.070 4 0 "[ . 1 . 2]" 1
187 1 47 ALA CB 1 56 VAL CG1 5.000 . 8.000 4.188 3.127 5.537 . 0 0 "[ . 1 . 2]" 1
188 1 47 ALA CB 1 56 VAL CG2 4.000 . 7.000 4.632 3.437 5.113 . 0 0 "[ . 1 . 2]" 1
189 1 48 CYS H 1 56 VAL CG1 5.000 . 7.000 4.586 3.314 6.034 . 0 0 "[ . 1 . 2]" 1
190 1 48 CYS H 1 56 VAL CG2 5.000 . 7.000 5.461 4.240 5.929 . 0 0 "[ . 1 . 2]" 1
191 1 48 CYS HA 1 56 VAL CG1 4.000 . 6.000 4.456 3.367 5.469 . 0 0 "[ . 1 . 2]" 1
192 1 48 CYS HA 1 56 VAL CG2 4.000 . 6.000 4.728 3.767 5.381 . 0 0 "[ . 1 . 2]" 1
193 1 48 CYS H 1 79 ILE CD1 4.000 . 6.000 5.782 4.723 6.032 0.032 2 0 "[ . 1 . 2]" 1
194 1 48 CYS HG 1 79 ILE CG2 5.000 . 7.000 5.885 4.006 6.999 . 0 0 "[ . 1 . 2]" 1
195 1 48 CYS HG 1 79 ILE CD1 5.000 . 7.000 4.978 3.291 5.994 . 0 0 "[ . 1 . 2]" 1
196 1 48 CYS HA 1 88 ILE CG2 4.000 . 6.000 3.181 2.707 4.427 . 0 0 "[ . 1 . 2]" 1
197 1 48 CYS HA 1 88 ILE CD1 4.000 . 6.000 2.676 2.444 2.990 . 0 0 "[ . 1 . 2]" 1
198 1 49 SER H 1 79 ILE CG2 3.000 . 4.700 4.107 3.673 4.730 0.030 6 0 "[ . 1 . 2]" 1
199 1 49 SER H 1 79 ILE CD1 4.000 . 6.000 5.089 4.210 5.668 . 0 0 "[ . 1 . 2]" 1
200 1 49 SER HA 1 83 ALA CB 4.000 . 6.000 5.273 3.939 5.996 . 0 0 "[ . 1 . 2]" 1
201 1 51 GLY H 1 85 ARG CD 5.000 . 7.000 5.542 4.747 6.445 . 0 0 "[ . 1 . 2]" 1
202 1 51 GLY H 1 88 ILE CD1 2.500 . 3.700 3.732 3.641 3.787 0.087 12 0 "[ . 1 . 2]" 1
203 1 51 GLY HA2 1 88 ILE CD1 3.000 . 4.700 2.464 2.370 2.798 . 0 0 "[ . 1 . 2]" 1
204 1 51 GLY HA3 1 88 ILE CD1 3.000 . 4.700 4.185 4.031 4.538 . 0 0 "[ . 1 . 2]" 1
205 1 52 HIS H 1 88 ILE CD1 4.000 . 6.000 4.471 3.010 5.354 . 0 0 "[ . 1 . 2]" 1
206 1 52 HIS HA 1 88 ILE CD1 5.000 . 7.000 5.845 4.275 6.579 . 0 0 "[ . 1 . 2]" 1
207 1 53 THR HB 1 87 GLU CB 4.000 . 6.000 5.143 4.557 5.795 . 0 0 "[ . 1 . 2]" 1
208 1 53 THR HB 1 87 GLU CG 4.000 . 6.000 5.035 4.302 5.759 . 0 0 "[ . 1 . 2]" 1
209 1 53 THR CG2 1 87 GLU H 5.000 . 7.000 6.209 5.514 7.007 0.007 16 0 "[ . 1 . 2]" 1
210 1 53 THR CG2 1 87 GLU CG 2.500 . 4.700 4.067 3.310 4.698 . 0 0 "[ . 1 . 2]" 1
211 1 53 THR H 1 88 ILE CD1 4.000 . 6.000 5.441 4.033 6.021 0.021 2 0 "[ . 1 . 2]" 1
212 1 53 THR HA 1 88 ILE CD1 4.000 . 6.000 4.701 3.677 5.251 . 0 0 "[ . 1 . 2]" 1
213 1 53 THR HB 1 88 ILE CD1 5.000 . 7.000 6.645 5.481 7.021 0.021 16 0 "[ . 1 . 2]" 1
214 1 57 GLU HG3 1 91 ALA CB 4.000 . 6.000 5.445 4.270 5.987 . 0 0 "[ . 1 . 2]" 1
215 1 57 GLU HG2 1 91 ALA CB 3.000 . 4.700 4.295 3.656 4.713 0.013 13 0 "[ . 1 . 2]" 1
216 1 60 LEU H 1 95 LYS CD 5.000 . 7.000 6.464 5.045 7.065 0.065 5 0 "[ . 1 . 2]" 1
217 1 60 LEU H 1 95 LYS CE 5.000 . 7.000 6.628 5.780 7.043 0.043 4 0 "[ . 1 . 2]" 1
218 1 60 LEU CD1 1 95 LYS H 5.000 . 7.000 5.195 4.123 6.418 . 0 0 "[ . 1 . 2]" 1
219 1 60 LEU CD2 1 95 LYS H 5.000 . 7.000 5.508 3.993 6.745 . 0 0 "[ . 1 . 2]" 1
220 1 60 LEU CD1 1 95 LYS CE 3.000 . 5.700 4.929 3.606 5.737 0.037 6 0 "[ . 1 . 2]" 1
221 1 60 LEU CD2 1 95 LYS CE 3.000 . 5.700 4.877 3.416 5.740 0.040 4 0 "[ . 1 . 2]" 1
222 1 63 GLY H 1 95 LYS CE 4.000 . 6.000 5.435 4.771 6.010 0.010 2 0 "[ . 1 . 2]" 1
223 1 66 VAL CB 1 95 LYS CE 3.000 . 6.700 5.727 3.352 6.716 0.016 17 0 "[ . 1 . 2]" 1
224 1 66 VAL CG1 1 97 ALA H 4.000 . 6.000 5.006 3.970 5.853 . 0 0 "[ . 1 . 2]" 1
225 1 66 VAL CG2 1 97 ALA H 4.000 . 6.000 4.651 3.868 5.975 . 0 0 "[ . 1 . 2]" 1
226 1 66 VAL CG1 1 97 ALA HA 3.000 . 4.700 3.785 2.602 4.706 0.006 10 0 "[ . 1 . 2]" 1
227 1 66 VAL CG2 1 97 ALA HA 3.000 . 4.700 3.302 2.432 4.644 . 0 0 "[ . 1 . 2]" 1
228 1 67 ASN ND2 1 97 ALA H 5.000 . 7.000 5.002 3.528 6.189 . 0 0 "[ . 1 . 2]" 1
229 1 67 ASN HA 1 98 GLN H 5.000 . 6.000 3.101 2.499 4.457 . 0 0 "[ . 1 . 2]" 1
230 1 67 ASN HA 1 98 GLN HG3 5.000 . 6.000 2.748 1.938 4.464 . 0 0 "[ . 1 . 2]" 1
231 1 67 ASN HA 1 98 GLN HG2 5.000 . 6.000 3.796 2.563 5.294 . 0 0 "[ . 1 . 2]" 1
232 1 67 ASN HB3 1 98 GLN HG3 5.000 . 6.000 2.644 1.959 4.300 . 0 0 "[ . 1 . 2]" 1
233 1 67 ASN HB3 1 98 GLN HG2 5.000 . 6.000 3.201 2.213 5.197 . 0 0 "[ . 1 . 2]" 1
234 1 67 ASN HD21 1 98 GLN H 4.000 . 5.000 3.234 2.072 4.569 . 0 0 "[ . 1 . 2]" 1
235 1 67 ASN HD22 1 98 GLN H 4.000 . 5.000 3.587 2.856 4.142 . 0 0 "[ . 1 . 2]" 1
236 1 67 ASN HD21 1 98 GLN HG3 4.000 . 5.000 4.076 2.676 4.935 . 0 0 "[ . 1 . 2]" 1
237 1 67 ASN HD21 1 98 GLN HG2 4.000 . 5.000 4.115 2.430 5.007 0.007 4 0 "[ . 1 . 2]" 1
238 1 67 ASN HD22 1 98 GLN HG3 4.000 . 5.000 4.748 3.602 5.014 0.014 12 0 "[ . 1 . 2]" 1
239 1 67 ASN HD22 1 98 GLN HG2 4.000 . 5.000 4.261 3.204 4.770 . 0 0 "[ . 1 . 2]" 1
240 1 67 ASN CB 1 98 GLN NE2 4.000 . 7.000 5.483 4.519 6.980 . 0 0 "[ . 1 . 2]" 1
241 1 69 LYS HA 1 74 TRP H 4.000 . 5.000 4.872 4.268 5.059 0.059 1 0 "[ . 1 . 2]" 1
242 1 69 LYS CE 1 101 ALA H 5.000 . 7.000 6.145 5.120 7.008 0.008 3 0 "[ . 1 . 2]" 1
243 1 69 LYS CE 1 101 ALA CB 3.000 . 5.700 4.321 3.024 5.359 . 0 0 "[ . 1 . 2]" 1
244 1 70 ASP H 1 75 SER HA 5.000 . 6.000 4.279 3.743 5.692 . 0 0 "[ . 1 . 2]" 1
245 1 72 ALA HA 1 104 GLN CB 4.000 . 6.000 4.208 3.411 5.858 . 0 0 "[ . 1 . 2]" 1
246 1 72 ALA CB 1 104 GLN HG2 4.000 . 6.000 3.049 2.517 4.431 . 0 0 "[ . 1 . 2]" 1
247 1 72 ALA CB 1 104 GLN HG3 4.000 . 6.000 3.738 2.475 4.486 . 0 0 "[ . 1 . 2]" 1
248 1 72 ALA CB 1 104 GLN HE21 4.000 . 6.000 4.340 2.505 5.748 . 0 0 "[ . 1 . 2]" 1
249 1 72 ALA CB 1 104 GLN HE22 4.000 . 6.000 5.697 3.368 6.031 0.031 11 0 "[ . 1 . 2]" 1
250 1 73 GLY H 1 103 ASN HA 5.000 . 6.000 4.915 2.615 6.004 0.004 13 0 "[ . 1 . 2]" 1
251 1 73 GLY HA2 1 103 ASN HA 4.000 . 5.000 4.302 3.667 5.116 0.116 9 0 "[ . 1 . 2]" 1
252 1 73 GLY HA3 1 103 ASN HA 4.000 . 5.000 4.973 2.490 5.444 0.444 11 0 "[ . 1 . 2]" 1
253 1 73 GLY H 1 104 GLN HG2 5.000 . 6.000 5.649 4.845 6.008 0.008 12 0 "[ . 1 . 2]" 1
254 1 73 GLY H 1 104 GLN HG3 5.000 . 6.000 5.810 4.887 6.055 0.055 4 0 "[ . 1 . 2]" 1
255 1 74 TRP HZ3 1 79 ILE CG2 5.000 . 7.000 4.501 3.557 5.239 . 0 0 "[ . 1 . 2]" 1
256 1 74 TRP HZ3 1 79 ILE CD1 5.000 . 7.000 5.641 5.287 6.085 . 0 0 "[ . 1 . 2]" 1
257 1 74 TRP HZ3 1 82 SER H 5.000 . 6.000 4.032 3.776 4.481 . 0 0 "[ . 1 . 2]" 1
258 1 74 TRP HH2 1 82 SER H 5.000 . 6.000 5.975 5.624 6.087 0.087 2 0 "[ . 1 . 2]" 1
259 1 74 TRP H 1 103 ASN HA 5.000 . 6.000 2.655 1.898 5.413 . 0 0 "[ . 1 . 2]" 1
260 1 74 TRP HA 1 103 ASN HA 4.000 . 5.000 3.039 1.985 4.428 . 0 0 "[ . 1 . 2]" 1
261 1 74 TRP CB 1 103 ASN HA 5.000 . 7.000 3.932 3.238 6.180 . 0 0 "[ . 1 . 2]" 1
262 1 74 TRP H 1 104 GLN HG2 5.000 . 6.000 5.855 5.319 6.038 0.038 6 0 "[ . 1 . 2]" 1
263 1 74 TRP H 1 104 GLN HG3 5.000 . 6.000 5.311 4.749 6.041 0.041 6 0 "[ . 1 . 2]" 1
264 1 74 TRP HH2 1 112 TYR CG 4.000 . 7.000 4.957 4.354 5.899 . 0 0 "[ . 1 . 2]" 1
265 1 74 TRP HH2 1 112 TYR CZ 4.000 . 7.000 4.236 3.721 5.048 . 0 0 "[ . 1 . 2]" 1
266 1 74 TRP HH2 1 112 TYR CB 5.000 . 7.000 5.887 5.259 7.033 0.033 10 0 "[ . 1 . 2]" 1
267 1 74 TRP HZ3 1 112 TYR CB 5.000 . 7.000 5.181 4.399 6.847 . 0 0 "[ . 1 . 2]" 1
268 1 74 TRP HZ3 1 112 TYR CZ 5.000 . 8.000 4.569 3.988 5.323 . 0 0 "[ . 1 . 2]" 1
269 1 75 SER H 1 101 ALA CB 5.000 . 7.000 4.176 3.343 5.478 . 0 0 "[ . 1 . 2]" 1
270 1 75 SER CB 1 101 ALA CB 5.000 . 7.000 4.052 3.561 4.695 . 0 0 "[ . 1 . 2]" 1
271 1 77 LEU H 1 97 ALA CB 5.000 . 7.000 4.493 3.934 5.115 . 0 0 "[ . 1 . 2]" 1
272 1 78 HIS HE1 1 101 ALA H 4.000 . 5.000 3.235 2.528 4.440 . 0 0 "[ . 1 . 2]" 1
273 1 78 HIS HE1 1 101 ALA CB 4.000 . 6.000 3.239 2.443 4.040 . 0 0 "[ . 1 . 2]" 1
274 1 78 HIS HE2 1 101 ALA H 5.000 . 6.000 5.431 4.988 5.960 . 0 0 "[ . 1 . 2]" 1
275 1 78 HIS HE2 1 101 ALA CB 5.000 . 7.000 5.263 4.512 6.049 . 0 0 "[ . 1 . 2]" 1
276 1 78 HIS HD2 1 102 VAL HA 5.000 . 6.000 5.670 5.269 5.799 . 0 0 "[ . 1 . 2]" 1
277 1 78 HIS HE1 1 102 VAL H 5.000 . 6.000 4.625 3.683 5.022 . 0 0 "[ . 1 . 2]" 1
278 1 78 HIS HE2 1 102 VAL H 5.000 . 6.000 5.543 5.002 6.010 0.010 1 0 "[ . 1 . 2]" 1
279 1 78 HIS HE2 1 102 VAL HA 3.000 . 3.700 3.446 3.151 3.603 . 0 0 "[ . 1 . 2]" 1
280 1 78 HIS HE2 1 102 VAL HB 5.000 . 6.000 5.805 5.398 6.043 0.043 2 0 "[ . 1 . 2]" 1
281 1 78 HIS HE2 1 102 VAL CG1 5.000 . 7.000 5.671 5.090 6.574 . 0 0 "[ . 1 . 2]" 1
282 1 78 HIS HE2 1 102 VAL CG2 5.000 . 7.000 6.771 6.359 7.003 0.003 1 0 "[ . 1 . 2]" 1
283 1 78 HIS HD2 1 103 ASN H 5.000 . 6.000 5.013 4.715 5.213 . 0 0 "[ . 1 . 2]" 1
284 1 78 HIS HD2 1 103 ASN HA 5.000 . 6.000 5.777 5.513 6.003 0.003 10 0 "[ . 1 . 2]" 1
285 1 78 HIS HE1 1 103 ASN H 4.000 . 5.000 4.877 3.803 5.113 0.113 2 0 "[ . 1 . 2]" 1
286 1 78 HIS HE2 1 103 ASN H 3.000 . 3.700 3.578 2.987 3.758 0.058 14 0 "[ . 1 . 2]" 1
287 1 78 HIS HE2 1 103 ASN HA 5.000 . 6.000 5.282 4.270 5.583 . 0 0 "[ . 1 . 2]" 1
288 1 78 HIS HD2 1 107 CYS H 5.000 . 6.000 6.113 6.031 6.204 0.204 2 0 "[ . 1 . 2]" 1
289 1 78 HIS HD2 1 107 CYS HB2 5.000 . 6.000 5.213 4.601 6.047 0.047 11 0 "[ . 1 . 2]" 1
290 1 78 HIS HD2 1 107 CYS HB3 5.000 . 6.000 4.505 3.575 5.198 . 0 0 "[ . 1 . 2]" 1
291 1 78 HIS HE2 1 107 CYS H 5.000 . 6.000 5.057 4.866 5.576 . 0 0 "[ . 1 . 2]" 1
292 1 78 HIS HD2 1 108 THR HA 4.000 . 5.000 4.006 3.886 4.127 . 0 0 "[ . 1 . 2]" 1
293 1 78 HIS HD2 1 108 THR HB 5.000 . 6.000 5.943 5.786 6.038 0.038 1 0 "[ . 1 . 2]" 1
294 1 78 HIS HD2 1 108 THR CG2 5.000 . 7.000 6.782 6.672 6.890 . 0 0 "[ . 1 . 2]" 1
295 1 78 HIS HE1 1 108 THR HA 3.000 . 3.700 3.216 2.712 3.746 0.046 18 0 "[ . 1 . 2]" 1
296 1 78 HIS HE2 1 108 THR H 5.000 . 6.000 3.985 3.821 4.408 . 0 0 "[ . 1 . 2]" 1
297 1 78 HIS HE2 1 108 THR HA 4.000 . 5.000 1.812 1.741 1.985 0.059 20 0 "[ . 1 . 2]" 1
298 1 78 HIS HE2 1 108 THR CG2 4.000 . 6.000 4.650 4.515 4.844 . 0 0 "[ . 1 . 2]" 1
299 1 78 HIS HA 1 112 TYR CG 3.000 . 5.700 5.375 4.251 5.709 0.009 8 0 "[ . 1 . 2]" 1
300 1 78 HIS HD2 1 112 TYR H 5.000 . 6.000 4.952 4.769 5.129 . 0 0 "[ . 1 . 2]" 1
301 1 78 HIS HD2 1 112 TYR HA 5.000 . 6.000 6.107 6.012 6.160 0.160 17 0 "[ . 1 . 2]" 1
302 1 78 HIS HD2 1 112 TYR HB2 5.000 . 6.000 4.116 3.912 4.786 . 0 0 "[ . 1 . 2]" 1
303 1 78 HIS HD2 1 112 TYR HB3 5.000 . 6.000 5.036 4.835 5.517 . 0 0 "[ . 1 . 2]" 1
304 1 78 HIS HD2 1 112 TYR CG 3.000 . 5.700 3.649 3.535 3.728 . 0 0 "[ . 1 . 2]" 1
305 1 78 HIS HD2 1 112 TYR CZ 3.000 . 5.700 3.482 2.385 3.731 . 0 0 "[ . 1 . 2]" 1
306 1 78 HIS HE2 1 112 TYR CG 4.000 . 7.000 5.485 5.142 5.786 . 0 0 "[ . 1 . 2]" 1
307 1 78 HIS HE2 1 112 TYR CZ 4.000 . 7.000 5.003 4.388 5.319 . 0 0 "[ . 1 . 2]" 1
308 1 80 ALA HA 1 85 ARG H 4.000 . 5.000 4.054 3.256 4.621 . 0 0 "[ . 1 . 2]" 1
309 1 80 ALA CB 1 85 ARG H 4.000 . 6.000 4.972 4.665 5.818 . 0 0 "[ . 1 . 2]" 1
310 1 80 ALA H 1 89 VAL CB 4.000 . 7.000 5.950 5.457 6.330 . 0 0 "[ . 1 . 2]" 1
311 1 81 ALA H 1 89 VAL HB 5.000 . 6.000 4.585 3.339 5.529 . 0 0 "[ . 1 . 2]" 1
312 1 81 ALA H 1 89 VAL CB 4.000 . 7.000 4.543 3.890 5.959 . 0 0 "[ . 1 . 2]" 1
313 1 82 SER H 1 112 TYR HB2 4.000 . 5.000 4.805 4.379 5.029 0.029 12 0 "[ . 1 . 2]" 1
314 1 82 SER H 1 112 TYR HB3 4.000 . 5.000 4.239 3.849 4.623 . 0 0 "[ . 1 . 2]" 1
315 1 82 SER H 1 112 TYR CG 4.000 . 7.000 5.481 4.751 5.953 . 0 0 "[ . 1 . 2]" 1
316 1 82 SER H 1 112 TYR CZ 5.000 . 8.000 7.175 5.706 7.835 . 0 0 "[ . 1 . 2]" 1
317 1 82 SER HA 1 116 LYS CD 4.000 . 6.000 5.017 3.859 5.548 . 0 0 "[ . 1 . 2]" 1
318 1 84 GLY H 1 118 ARG CG 4.000 . 6.000 4.761 3.969 5.957 . 0 0 "[ . 1 . 2]" 1
319 1 84 GLY H 1 118 ARG CD 5.000 . 7.000 5.319 4.210 6.498 . 0 0 "[ . 1 . 2]" 1
320 1 84 GLY H 1 121 ILE CD1 4.000 . 6.000 5.213 4.432 6.015 0.015 18 0 "[ . 1 . 2]" 1
321 1 84 GLY HA2 1 121 ILE CD1 4.000 . 6.000 3.381 2.470 4.423 . 0 0 "[ . 1 . 2]" 1
322 1 84 GLY HA3 1 121 ILE CD1 4.000 . 6.000 4.779 3.874 5.992 . 0 0 "[ . 1 . 2]" 1
323 1 85 ARG H 1 121 ILE CD1 4.000 . 6.000 4.535 3.114 5.990 . 0 0 "[ . 1 . 2]" 1
324 1 86 ASP H 1 121 ILE CD1 3.000 . 4.700 4.437 3.642 4.720 0.020 14 0 "[ . 1 . 2]" 1
325 1 89 VAL CB 1 124 MET CE 2.500 . 5.700 4.871 4.142 5.618 . 0 0 "[ . 1 . 2]" 1
326 1 90 LYS H 1 124 MET CE 3.000 . 4.700 4.593 4.239 4.714 0.014 9 0 "[ . 1 . 2]" 1
327 1 99 VAL HB 1 129 GLY H 5.000 . 6.000 5.248 4.558 5.927 . 0 0 "[ . 1 . 2]" 1
328 1 99 VAL CB 1 129 GLY H 3.000 . 5.700 5.535 4.662 5.737 0.037 2 0 "[ . 1 . 2]" 1
329 1 99 VAL CG1 1 129 GLY H 5.000 . 7.000 5.009 3.793 5.998 . 0 0 "[ . 1 . 2]" 1
330 1 99 VAL CG2 1 129 GLY H 5.000 . 7.000 5.618 4.226 6.571 . 0 0 "[ . 1 . 2]" 1
331 1 99 VAL HB 1 130 ALA H 5.000 . 6.000 4.129 2.992 5.076 . 0 0 "[ . 1 . 2]" 1
332 1 99 VAL CB 1 130 ALA H 2.500 . 4.700 4.527 3.789 4.749 0.049 5 0 "[ . 1 . 2]" 1
333 1 99 VAL CG1 1 131 ASN H 5.000 . 7.000 5.762 4.457 6.853 . 0 0 "[ . 1 . 2]" 1
334 1 99 VAL CG2 1 131 ASN H 5.000 . 7.000 5.719 4.555 7.000 0.000 11 0 "[ . 1 . 2]" 1
335 1 100 ASN HA 1 108 THR HA 4.000 . 5.000 4.453 3.900 5.029 0.029 18 0 "[ . 1 . 2]" 1
336 1 100 ASN HA 1 108 THR HB 5.000 . 6.000 3.284 2.843 3.731 . 0 0 "[ . 1 . 2]" 1
337 1 100 ASN HA 1 108 THR CG2 4.000 . 6.000 4.535 3.970 5.304 . 0 0 "[ . 1 . 2]" 1
338 1 100 ASN HA 1 131 ASN H 5.000 . 6.000 3.947 3.063 4.811 . 0 0 "[ . 1 . 2]" 1
339 1 100 ASN H 1 130 ALA HA 5.000 . 6.000 4.718 3.927 5.151 . 0 0 "[ . 1 . 2]" 1
340 1 100 ASN HA 1 130 ALA HA 4.000 . 5.000 4.012 3.186 4.487 . 0 0 "[ . 1 . 2]" 1
341 1 100 ASN HD21 1 130 ALA H 5.000 . 6.000 5.367 4.641 5.833 . 0 0 "[ . 1 . 2]" 1
342 1 100 ASN HD21 1 130 ALA HA 3.000 . 3.700 3.230 2.061 3.701 0.001 6 0 "[ . 1 . 2]" 1
343 1 100 ASN HD22 1 130 ALA HA 5.000 . 6.000 4.499 2.056 5.228 . 0 0 "[ . 1 . 2]" 1
344 1 100 ASN HD21 1 130 ALA CB 5.000 . 7.000 5.288 3.896 5.810 . 0 0 "[ . 1 . 2]" 1
345 1 100 ASN H 1 131 ASN H 5.000 . 6.000 5.350 4.435 6.032 0.032 20 0 "[ . 1 . 2]" 1
346 1 100 ASN HD21 1 131 ASN H 3.000 . 3.700 3.125 2.078 3.419 . 0 0 "[ . 1 . 2]" 1
347 1 100 ASN HD22 1 131 ASN H 4.000 . 5.000 4.502 2.442 5.010 0.010 14 0 "[ . 1 . 2]" 1
348 1 100 ASN HD21 1 131 ASN CB 4.000 . 6.000 4.884 3.974 5.440 . 0 0 "[ . 1 . 2]" 1
349 1 101 ALA H 1 108 THR HA 5.000 . 6.000 5.415 5.030 5.739 . 0 0 "[ . 1 . 2]" 1
350 1 102 VAL HB 1 107 CYS H 4.000 . 5.000 4.240 3.663 4.911 . 0 0 "[ . 1 . 2]" 1
351 1 102 VAL HB 1 137 HIS HD2 5.000 . 6.000 5.700 5.483 5.848 . 0 0 "[ . 1 . 2]" 1
352 1 102 VAL CG1 1 137 HIS HD2 5.000 . 7.000 6.264 5.532 7.026 0.026 5 0 "[ . 1 . 2]" 1
353 1 102 VAL CG2 1 137 HIS HD2 5.000 . 7.000 6.937 6.050 7.032 0.032 9 0 "[ . 1 . 2]" 1
354 1 102 VAL H 1 108 THR HA 5.000 . 6.000 5.718 5.010 6.005 0.005 1 0 "[ . 1 . 2]" 1
355 1 102 VAL HA 1 108 THR HA 3.000 . 3.700 3.514 2.803 3.789 0.089 5 0 "[ . 1 . 2]" 1
356 1 102 VAL HA 1 108 THR CG2 5.000 . 7.000 4.601 3.630 4.866 . 0 0 "[ . 1 . 2]" 1
357 1 102 VAL HB 1 108 THR CG2 5.000 . 7.000 5.805 4.733 6.045 . 0 0 "[ . 1 . 2]" 1
358 1 102 VAL CG1 1 108 THR H 5.000 . 7.000 5.107 4.652 7.031 0.031 5 0 "[ . 1 . 2]" 1
359 1 102 VAL CG2 1 108 THR H 5.000 . 7.000 7.103 7.004 7.157 0.157 8 0 "[ . 1 . 2]" 1
360 1 102 VAL CG1 1 108 THR HA 5.000 . 7.000 5.039 4.353 6.476 . 0 0 "[ . 1 . 2]" 1
361 1 102 VAL CG2 1 108 THR HA 5.000 . 7.000 6.688 6.180 6.954 . 0 0 "[ . 1 . 2]" 1
362 1 102 VAL HA 1 112 TYR CZ 5.000 . 8.000 7.026 6.697 7.374 . 0 0 "[ . 1 . 2]" 1
363 1 103 ASN H 1 108 THR H 5.000 . 6.000 4.705 3.963 5.146 . 0 0 "[ . 1 . 2]" 1
364 1 103 ASN H 1 108 THR HA 5.000 . 6.000 4.271 3.512 4.508 . 0 0 "[ . 1 . 2]" 1
365 1 103 ASN H 1 108 THR CG2 4.000 . 6.000 5.799 4.734 6.064 0.064 9 0 "[ . 1 . 2]" 1
366 1 103 ASN H 1 112 TYR CZ 5.000 . 8.000 5.517 5.052 6.141 . 0 0 "[ . 1 . 2]" 1
367 1 103 ASN HA 1 112 TYR CZ 5.000 . 8.000 6.085 5.622 6.541 . 0 0 "[ . 1 . 2]" 1
368 1 105 ASN HA 1 137 HIS H 5.000 . 6.000 4.256 3.561 5.441 . 0 0 "[ . 1 . 2]" 1
369 1 105 ASN HA 1 137 HIS HE1 3.000 . 3.700 3.692 3.562 3.781 0.081 20 0 "[ . 1 . 2]" 1
370 1 106 GLY H 1 137 HIS H 5.000 . 6.000 5.461 5.146 6.003 0.003 15 0 "[ . 1 . 2]" 1
371 1 106 GLY HA3 1 137 HIS H 4.000 . 5.000 4.132 3.420 4.445 . 0 0 "[ . 1 . 2]" 1
372 1 106 GLY HA2 1 137 HIS H 5.000 . 6.000 5.740 5.146 5.992 . 0 0 "[ . 1 . 2]" 1
373 1 106 GLY HA3 1 137 HIS HD2 4.000 . 5.000 3.491 2.783 3.798 . 0 0 "[ . 1 . 2]" 1
374 1 106 GLY HA2 1 137 HIS HD2 4.000 . 5.000 4.846 4.171 5.036 0.036 8 0 "[ . 1 . 2]" 1
375 1 107 CYS H 1 112 TYR CZ 4.000 . 7.000 5.130 4.565 6.100 . 0 0 "[ . 1 . 2]" 1
376 1 107 CYS CB 1 112 TYR H 5.000 . 7.000 5.446 4.880 6.564 . 0 0 "[ . 1 . 2]" 1
377 1 107 CYS HB2 1 112 TYR CG 4.000 . 7.000 5.229 4.347 6.714 . 0 0 "[ . 1 . 2]" 1
378 1 107 CYS HB3 1 112 TYR CG 4.000 . 7.000 3.961 3.360 5.144 . 0 0 "[ . 1 . 2]" 1
379 1 107 CYS HB2 1 112 TYR CZ 2.500 . 4.700 3.223 2.458 4.717 0.017 18 0 "[ . 1 . 2]" 1
380 1 107 CYS HB3 1 112 TYR CZ 2.500 . 4.700 2.536 2.121 4.115 . 0 0 "[ . 1 . 2]" 1
381 1 108 THR H 1 134 ALA CB 5.000 . 7.000 5.960 5.159 6.952 . 0 0 "[ . 1 . 2]" 1
382 1 108 THR CG2 1 134 ALA CB 3.000 . 5.700 4.188 3.488 4.844 . 0 0 "[ . 1 . 2]" 1
383 1 111 HIS HE1 1 134 ALA H 5.000 . 6.000 5.058 3.944 5.863 . 0 0 "[ . 1 . 2]" 1
384 1 111 HIS HE1 1 135 LYS H 5.000 . 6.000 4.354 3.532 4.867 . 0 0 "[ . 1 . 2]" 1
385 1 111 HIS HE1 1 135 LYS HA 5.000 . 6.000 3.560 2.537 4.347 . 0 0 "[ . 1 . 2]" 1
386 1 111 HIS HD2 1 136 ASP H 5.000 . 6.000 5.369 4.528 6.014 0.014 10 0 "[ . 1 . 2]" 1
387 1 111 HIS HE1 1 136 ASP H 5.000 . 6.000 3.613 2.488 5.082 . 0 0 "[ . 1 . 2]" 1
388 1 111 HIS HE2 1 136 ASP H 4.000 . 5.000 3.322 2.282 3.998 . 0 0 "[ . 1 . 2]" 1
389 1 111 HIS HE2 1 140 ALA H 5.000 . 6.000 5.005 4.311 5.366 . 0 0 "[ . 1 . 2]" 1
390 1 111 HIS HD2 1 141 THR HA 4.000 . 5.000 3.483 2.810 3.894 . 0 0 "[ . 1 . 2]" 1
391 1 111 HIS HD2 1 141 THR HB 5.000 . 6.000 5.263 4.513 5.885 . 0 0 "[ . 1 . 2]" 1
392 1 111 HIS HD2 1 141 THR CG2 5.000 . 7.000 6.313 5.723 6.653 . 0 0 "[ . 1 . 2]" 1
393 1 111 HIS HE1 1 141 THR HA 5.000 . 6.000 4.405 4.209 4.654 . 0 0 "[ . 1 . 2]" 1
394 1 111 HIS HE1 1 141 THR HB 5.000 . 6.000 5.992 5.688 6.050 0.050 9 0 "[ . 1 . 2]" 1
395 1 111 HIS HE2 1 141 THR HA 5.000 . 6.000 2.177 1.913 2.585 . 0 0 "[ . 1 . 2]" 1
396 1 111 HIS H 1 142 ALA CB 3.000 . 4.700 4.732 4.708 4.770 0.070 14 0 "[ . 1 . 2]" 1
397 1 111 HIS HA 1 142 ALA CB 3.000 . 4.700 3.285 2.718 3.738 . 0 0 "[ . 1 . 2]" 1
398 1 111 HIS HD2 1 142 ALA H 5.000 . 6.000 3.230 2.303 4.075 . 0 0 "[ . 1 . 2]" 1
399 1 111 HIS HD2 1 142 ALA CB 5.000 . 7.000 3.895 3.020 4.892 . 0 0 "[ . 1 . 2]" 1
400 1 112 TYR H 1 142 ALA CB 5.000 . 7.000 6.361 5.982 6.617 . 0 0 "[ . 1 . 2]" 1
401 1 113 ALA HA 1 118 ARG H 4.000 . 5.000 4.457 3.576 4.994 . 0 0 "[ . 1 . 2]" 1
402 1 113 ALA CB 1 118 ARG H 4.000 . 6.000 5.516 4.502 6.023 0.023 6 0 "[ . 1 . 2]" 1
403 1 114 ALA H 1 142 ALA CB 5.000 . 7.000 4.819 4.262 5.260 . 0 0 "[ . 1 . 2]" 1
404 1 114 ALA HA 1 154 MET CE 4.000 . 6.000 3.892 2.486 4.990 . 0 0 "[ . 1 . 2]" 1
405 1 117 ASN HA 1 154 MET CE 3.000 . 4.700 3.246 2.485 4.679 . 0 0 "[ . 1 . 2]" 1
406 1 118 ARG H 1 154 MET CE 4.000 . 6.000 4.391 3.326 5.534 . 0 0 "[ . 1 . 2]" 1
407 1 119 HIS HE1 1 151 ASN HA 5.000 . 6.000 5.395 4.599 6.012 0.012 17 0 "[ . 1 . 2]" 1
408 1 119 HIS CB 1 153 LYS HD3 4.000 . 6.000 5.263 3.909 6.000 0.000 3 0 "[ . 1 . 2]" 1
409 1 119 HIS CB 1 153 LYS HD2 4.000 . 6.000 4.731 3.713 6.008 0.008 5 0 "[ . 1 . 2]" 1
410 1 119 HIS HD2 1 153 LYS HD3 4.000 . 5.000 4.585 4.096 5.027 0.027 9 0 "[ . 1 . 2]" 1
411 1 119 HIS HD2 1 153 LYS HD2 4.000 . 5.000 4.026 3.007 5.036 0.036 10 0 "[ . 1 . 2]" 1
412 1 119 HIS HD2 1 153 LYS HE2 5.000 . 6.000 5.419 4.270 6.013 0.013 20 0 "[ . 1 . 2]" 1
413 1 119 HIS HD2 1 153 LYS HE3 5.000 . 6.000 5.417 4.389 6.014 0.014 17 0 "[ . 1 . 2]" 1
414 1 119 HIS H 1 154 MET CE 3.000 . 4.700 3.921 3.428 4.426 . 0 0 "[ . 1 . 2]" 1
415 1 119 HIS HA 1 154 MET CE 3.000 . 4.700 3.115 2.482 3.620 . 0 0 "[ . 1 . 2]" 1
416 1 119 HIS HB2 1 154 MET CE 4.000 . 6.000 4.956 4.626 5.296 . 0 0 "[ . 1 . 2]" 1
417 1 119 HIS HB3 1 154 MET CE 4.000 . 6.000 4.600 4.011 4.985 . 0 0 "[ . 1 . 2]" 1
418 1 119 HIS HD2 1 154 MET CE 3.000 . 4.000 3.644 3.328 4.007 0.007 5 0 "[ . 1 . 2]" 1
419 1 119 HIS HE1 1 154 MET CE 3.000 . 4.000 3.886 3.362 4.011 0.011 6 0 "[ . 1 . 2]" 1
420 1 119 HIS HB2 1 157 ILE CD1 3.000 . 4.700 4.625 4.194 4.740 0.040 7 0 "[ . 1 . 2]" 1
421 1 119 HIS HB3 1 157 ILE CD1 3.000 . 4.700 2.916 2.446 3.061 . 0 0 "[ . 1 . 2]" 1
422 1 119 HIS HD2 1 157 ILE CD1 3.000 . 4.700 3.109 2.850 3.588 . 0 0 "[ . 1 . 2]" 1
423 1 119 HIS HE1 1 157 ILE CD1 5.000 . 7.000 6.921 6.503 7.028 0.028 4 0 "[ . 1 . 2]" 1
424 1 120 GLU H 1 154 MET CE 5.000 . 7.000 6.077 5.655 6.525 . 0 0 "[ . 1 . 2]" 1
425 1 120 GLU H 1 157 ILE CD1 5.000 . 7.000 5.895 5.651 6.095 . 0 0 "[ . 1 . 2]" 1
426 1 122 ALA CB 1 154 MET CE 3.000 . 5.700 5.201 4.514 5.691 . 0 0 "[ . 1 . 2]" 1
427 1 122 ALA CB 1 157 ILE CD1 3.000 . 5.700 4.635 3.996 5.412 . 0 0 "[ . 1 . 2]" 1
428 1 123 VAL H 1 157 ILE CD1 4.000 . 6.000 4.719 4.395 4.986 . 0 0 "[ . 1 . 2]" 1
429 1 123 VAL HA 1 157 ILE CD1 5.000 . 7.000 5.393 5.148 5.687 . 0 0 "[ . 1 . 2]" 1
430 1 123 VAL HB 1 157 ILE CD1 4.000 . 6.000 5.318 4.823 6.007 0.007 9 0 "[ . 1 . 2]" 1
431 1 123 VAL CG2 1 157 ILE HA 4.000 . 6.000 4.885 4.308 5.391 . 0 0 "[ . 1 . 2]" 1
432 1 123 VAL CG1 1 160 TYR CG 5.000 . 9.000 7.507 6.719 8.396 . 0 0 "[ . 1 . 2]" 1
433 1 123 VAL CG2 1 160 TYR CG 5.000 . 9.000 7.002 6.131 7.838 . 0 0 "[ . 1 . 2]" 1
434 1 123 VAL H 1 161 TYR CG 5.000 . 8.000 7.411 7.006 7.859 . 0 0 "[ . 1 . 2]" 1
435 1 123 VAL H 1 161 TYR CZ 5.000 . 8.000 6.321 5.698 6.811 . 0 0 "[ . 1 . 2]" 1
436 1 123 VAL CG1 1 161 TYR CG 4.000 . 8.000 5.943 4.973 7.293 . 0 0 "[ . 1 . 2]" 1
437 1 123 VAL CG1 1 161 TYR CZ 4.000 . 8.000 3.888 3.508 4.757 . 0 0 "[ . 1 . 2]" 1
438 1 123 VAL CG2 1 161 TYR CG 4.000 . 8.000 5.734 4.733 7.013 . 0 0 "[ . 1 . 2]" 1
439 1 123 VAL CG2 1 161 TYR CZ 4.000 . 8.000 4.745 4.177 5.611 . 0 0 "[ . 1 . 2]" 1
440 1 126 LEU CG 1 160 TYR CG 5.000 . 10.000 8.988 8.705 9.426 . 0 0 "[ . 1 . 2]" 1
441 1 126 LEU CG 1 160 TYR CZ 5.000 . 10.000 9.898 8.005 10.009 0.009 5 0 "[ . 1 . 2]" 1
442 1 126 LEU H 1 161 TYR CG 5.000 . 8.000 6.112 5.596 6.560 . 0 0 "[ . 1 . 2]" 1
443 1 126 LEU H 1 161 TYR CZ 4.000 . 7.000 5.153 4.522 6.036 . 0 0 "[ . 1 . 2]" 1
444 1 126 LEU CG 1 161 TYR CG 2.500 . 7.200 3.872 3.353 4.787 . 0 0 "[ . 1 . 2]" 1
445 1 126 LEU CG 1 161 TYR CZ 3.000 . 7.700 4.712 3.894 5.549 . 0 0 "[ . 1 . 2]" 1
446 1 127 GLU H 1 161 TYR CG 3.000 . 5.700 5.735 5.428 5.785 0.085 14 0 "[ . 1 . 2]" 1
447 1 127 GLU H 1 161 TYR CZ 2.500 . 4.700 4.071 3.556 4.610 . 0 0 "[ . 1 . 2]" 1
448 1 127 GLU QG 1 161 TYR CG 4.000 . 7.000 5.134 4.327 6.603 . 0 0 "[ . 1 . 2]" 1
449 1 127 GLU QG 1 161 TYR CZ 4.000 . 7.000 3.086 2.562 4.824 . 0 0 "[ . 1 . 2]" 1
450 1 133 ASP H 1 163 ALA CB 5.000 . 7.000 6.058 4.861 7.020 0.020 6 0 "[ . 1 . 2]" 1
451 1 133 ASP HA 1 167 ILE CD1 4.000 . 6.000 4.458 3.885 5.950 . 0 0 "[ . 1 . 2]" 1
452 1 133 ASP HB2 1 167 ILE CD1 4.000 . 6.000 5.319 4.798 6.004 0.004 15 0 "[ . 1 . 2]" 1
453 1 133 ASP HB3 1 167 ILE CD1 4.000 . 6.000 5.300 4.901 6.013 0.013 20 0 "[ . 1 . 2]" 1
454 1 135 LYS HB2 1 140 ALA H 4.000 . 5.000 3.808 2.898 5.044 0.044 16 0 "[ . 1 . 2]" 1
455 1 135 LYS HB3 1 140 ALA H 4.000 . 5.000 4.207 2.520 5.025 0.025 8 0 "[ . 1 . 2]" 1
456 1 135 LYS CE 1 140 ALA H 5.000 . 7.000 6.808 6.050 7.049 0.049 16 0 "[ . 1 . 2]" 1
457 1 135 LYS H 1 141 THR CG2 5.000 . 7.000 6.080 5.587 6.660 . 0 0 "[ . 1 . 2]" 1
458 1 135 LYS HA 1 141 THR HA 4.000 . 5.000 3.193 2.779 3.833 . 0 0 "[ . 1 . 2]" 1
459 1 135 LYS HA 1 141 THR CG2 5.000 . 7.000 4.223 3.646 4.659 . 0 0 "[ . 1 . 2]" 1
460 1 135 LYS CE 1 141 THR HA 5.000 . 7.000 6.883 5.949 7.028 0.028 15 0 "[ . 1 . 2]" 1
461 1 135 LYS CE 1 141 THR CG2 3.000 . 5.700 5.356 3.894 5.713 0.013 11 0 "[ . 1 . 2]" 1
462 1 135 LYS CE 1 167 ILE CG2 3.000 . 5.700 3.854 3.388 4.900 . 0 0 "[ . 1 . 2]" 1
463 1 135 LYS CE 1 167 ILE CD1 4.000 . 7.000 4.415 2.985 6.503 . 0 0 "[ . 1 . 2]" 1
464 1 135 LYS CE 1 168 GLN H 5.000 . 7.000 5.885 4.922 7.007 0.007 3 0 "[ . 1 . 2]" 1
465 1 136 ASP H 1 141 THR CG2 4.000 . 6.000 5.904 5.543 6.023 0.023 4 0 "[ . 1 . 2]" 1
466 1 138 TYR CG 1 169 ASP HA 4.000 . 7.000 6.679 5.524 7.039 0.039 20 0 "[ . 1 . 2]" 1
467 1 138 TYR CG 1 169 ASP HB2 5.000 . 8.000 6.612 4.148 7.514 . 0 0 "[ . 1 . 2]" 1
468 1 138 TYR CG 1 169 ASP HB3 5.000 . 8.000 6.089 4.652 7.425 . 0 0 "[ . 1 . 2]" 1
469 1 138 TYR HA 1 170 THR H 5.000 . 6.000 3.686 3.233 4.109 . 0 0 "[ . 1 . 2]" 1
470 1 138 TYR HA 1 170 THR CG2 3.000 . 4.700 3.394 2.433 4.250 . 0 0 "[ . 1 . 2]" 1
471 1 138 TYR CB 1 170 THR H 5.000 . 7.000 4.156 3.173 4.563 . 0 0 "[ . 1 . 2]" 1
472 1 138 TYR HB2 1 170 THR CG2 4.000 . 6.000 5.481 3.582 6.027 0.027 1 0 "[ . 1 . 2]" 1
473 1 138 TYR HB3 1 170 THR CG2 4.000 . 6.000 4.402 3.416 4.889 . 0 0 "[ . 1 . 2]" 1
474 1 138 TYR CG 1 170 THR H 5.000 . 8.000 5.302 4.304 5.705 . 0 0 "[ . 1 . 2]" 1
475 1 138 TYR CG 1 170 THR CG2 3.000 . 6.700 5.460 4.754 5.930 . 0 0 "[ . 1 . 2]" 1
476 1 138 TYR CZ 1 170 THR CG2 4.000 . 8.000 7.359 6.054 8.075 0.075 8 0 "[ . 1 . 2]" 1
477 1 139 GLU H 1 169 ASP HA 5.000 . 6.000 5.015 4.643 5.517 . 0 0 "[ . 1 . 2]" 1
478 1 139 GLU HA 1 169 ASP HA 4.000 . 5.000 4.454 4.054 4.931 . 0 0 "[ . 1 . 2]" 1
479 1 139 GLU H 1 170 THR CG2 5.000 . 7.000 5.845 5.105 7.022 0.022 10 0 "[ . 1 . 2]" 1
480 1 139 GLU HA 1 170 THR H 5.000 . 6.000 5.445 4.628 6.022 0.022 2 0 "[ . 1 . 2]" 1
481 1 139 GLU CB 1 170 THR H 4.000 . 7.000 3.860 3.007 4.526 . 0 0 "[ . 1 . 2]" 1
482 1 139 GLU CB 1 170 THR CG2 4.000 . 7.000 5.452 4.114 7.027 0.027 4 0 "[ . 1 . 2]" 1
483 1 140 ALA H 1 169 ASP CB 5.000 . 7.000 5.185 4.605 5.741 . 0 0 "[ . 1 . 2]" 1
484 1 140 ALA CB 1 169 ASP HA 5.000 . 7.000 5.230 4.442 5.619 . 0 0 "[ . 1 . 2]" 1
485 1 140 ALA CB 1 170 THR H 5.000 . 7.000 6.145 5.592 6.933 . 0 0 "[ . 1 . 2]" 1
486 1 141 THR H 1 167 ILE CG2 5.000 . 7.000 5.457 4.378 6.201 . 0 0 "[ . 1 . 2]" 1
487 1 141 THR H 1 167 ILE CD1 5.000 . 7.000 6.334 5.708 7.033 0.033 4 0 "[ . 1 . 2]" 1
488 1 141 THR HB 1 167 ILE CD1 5.000 . 7.000 4.486 3.822 6.281 . 0 0 "[ . 1 . 2]" 1
489 1 141 THR HG1 1 167 ILE CD1 5.000 . 7.000 4.722 2.803 6.572 . 0 0 "[ . 1 . 2]" 1
490 1 141 THR CG2 1 167 ILE CD1 3.000 . 5.700 3.532 2.958 4.778 . 0 0 "[ . 1 . 2]" 1
491 1 143 MET CE 1 155 ILE HA 4.000 . 6.000 4.990 4.453 6.003 0.003 5 0 "[ . 1 . 2]" 1
492 1 143 MET CE 1 159 LEU H 4.000 . 6.000 4.794 3.929 5.538 . 0 0 "[ . 1 . 2]" 1
493 1 143 MET H 1 163 ALA CB 5.000 . 7.000 6.363 5.628 6.940 . 0 0 "[ . 1 . 2]" 1
494 1 143 MET CE 1 163 ALA H 3.000 . 4.700 4.708 4.555 4.748 0.048 7 0 "[ . 1 . 2]" 1
495 1 143 MET CE 1 163 ALA CB 3.000 . 5.700 3.708 3.004 4.774 . 0 0 "[ . 1 . 2]" 1
496 1 143 MET CE 1 164 SER H 5.000 . 7.000 4.498 3.252 5.374 . 0 0 "[ . 1 . 2]" 1
497 1 144 HIS HE1 1 166 ASN HA 5.000 . 6.000 5.574 4.878 6.027 0.027 7 0 "[ . 1 . 2]" 1
498 1 144 HIS HE2 1 166 ASN HA 5.000 . 6.000 5.620 5.152 6.016 0.016 9 0 "[ . 1 . 2]" 1
499 1 144 HIS HE1 1 167 ILE H 4.000 . 5.000 4.009 2.948 4.692 . 0 0 "[ . 1 . 2]" 1
500 1 144 HIS HE1 1 167 ILE HB 5.000 . 6.000 2.088 1.790 2.534 0.010 16 0 "[ . 1 . 2]" 1
501 1 144 HIS HE1 1 167 ILE CD1 4.000 . 7.000 4.352 3.711 5.215 . 0 0 "[ . 1 . 2]" 1
502 1 144 HIS HE2 1 167 ILE H 5.000 . 6.000 4.989 3.690 5.712 . 0 0 "[ . 1 . 2]" 1
503 1 144 HIS HE2 1 167 ILE CD1 5.000 . 7.000 6.409 5.743 7.004 0.004 8 0 "[ . 1 . 2]" 1
504 1 144 HIS HE1 1 168 GLN H 5.000 . 6.000 4.988 4.343 5.607 . 0 0 "[ . 1 . 2]" 1
505 1 144 HIS HE2 1 168 GLN H 5.000 . 6.000 4.832 4.344 5.217 . 0 0 "[ . 1 . 2]" 1
506 1 144 HIS HE2 1 168 GLN HA 4.000 . 5.000 2.972 2.233 3.749 . 0 0 "[ . 1 . 2]" 1
507 1 144 HIS HD2 1 169 ASP H 5.000 . 6.000 4.781 4.126 5.441 . 0 0 "[ . 1 . 2]" 1
508 1 144 HIS HE1 1 169 ASP H 5.000 . 6.000 5.133 4.310 5.633 . 0 0 "[ . 1 . 2]" 1
509 1 144 HIS HE2 1 169 ASP H 3.000 . 3.700 3.532 2.807 3.732 0.032 17 0 "[ . 1 . 2]" 1
510 1 144 HIS HD2 1 173 ASN H 5.000 . 6.000 5.280 4.667 5.841 . 0 0 "[ . 1 . 2]" 1
511 1 144 HIS HE2 1 173 ASN H 5.000 . 6.000 4.490 4.144 4.815 . 0 0 "[ . 1 . 2]" 1
512 1 144 HIS HD2 1 174 THR HA 5.000 . 6.000 3.375 3.080 3.780 . 0 0 "[ . 1 . 2]" 1
513 1 144 HIS HE1 1 174 THR HA 3.000 . 3.700 3.794 3.758 3.835 0.135 7 0 "[ . 1 . 2]" 1
514 1 144 HIS HE2 1 174 THR H 5.000 . 6.000 4.217 3.940 4.376 . 0 0 "[ . 1 . 2]" 1
515 1 144 HIS HE2 1 174 THR HA 4.000 . 5.000 1.879 1.772 1.962 0.028 9 0 "[ . 1 . 2]" 1
516 1 144 HIS HE2 1 174 THR HG1 5.000 . 6.000 5.551 5.168 5.953 . 0 0 "[ . 1 . 2]" 1
517 1 144 HIS HE2 1 174 THR CG2 4.000 . 6.000 4.504 4.171 4.806 . 0 0 "[ . 1 . 2]" 1
518 1 144 HIS CB 1 178 LEU HG 4.000 . 6.000 4.766 3.307 5.741 . 0 0 "[ . 1 . 2]" 1
519 1 144 HIS HD2 1 178 LEU HG 4.000 . 5.000 3.471 3.057 3.800 . 0 0 "[ . 1 . 2]" 1
520 1 144 HIS HD2 1 178 LEU CG 3.000 . 5.700 3.775 3.471 4.101 . 0 0 "[ . 1 . 2]" 1
521 1 144 HIS HE2 1 178 LEU HG 5.000 . 6.000 5.792 5.293 6.007 0.007 4 0 "[ . 1 . 2]" 1
522 1 144 HIS HE2 1 178 LEU CG 5.000 . 8.000 6.218 5.912 6.558 . 0 0 "[ . 1 . 2]" 1
523 1 147 ALA H 1 155 ILE CD1 5.000 . 7.000 6.444 4.440 7.032 0.032 7 0 "[ . 1 . 2]" 1
524 1 148 ALA H 1 178 LEU CG 4.000 . 7.000 5.202 4.338 5.795 . 0 0 "[ . 1 . 2]" 1
525 1 148 ALA CB 1 178 LEU CG 3.000 . 6.700 4.877 4.186 5.715 . 0 0 "[ . 1 . 2]" 1
526 1 152 LEU CD1 1 186 GLU H 5.000 . 7.000 6.115 5.334 7.017 0.017 18 0 "[ . 1 . 2]" 1
527 1 152 LEU CD2 1 186 GLU H 5.000 . 7.000 6.426 5.127 7.015 0.015 15 0 "[ . 1 . 2]" 1
528 1 152 LEU CD2 1 186 GLU HG3 3.000 . 4.700 4.266 3.243 4.712 0.012 18 0 "[ . 1 . 2]" 1
529 1 152 LEU CD2 1 186 GLU HG2 4.000 . 6.000 4.454 2.615 5.879 . 0 0 "[ . 1 . 2]" 1
530 1 152 LEU CD1 1 187 GLU H 5.000 . 7.000 4.822 3.924 5.750 . 0 0 "[ . 1 . 2]" 1
531 1 152 LEU CD2 1 187 GLU H 5.000 . 7.000 5.312 3.838 6.547 . 0 0 "[ . 1 . 2]" 1
532 1 152 LEU CD1 1 187 GLU HA 4.000 . 6.000 4.357 3.014 5.956 . 0 0 "[ . 1 . 2]" 1
533 1 152 LEU CD2 1 187 GLU HA 4.000 . 6.000 4.775 2.764 6.006 0.006 6 0 "[ . 1 . 2]" 1
534 1 152 LEU CD1 1 190 LEU CG 3.000 . 6.700 6.269 4.334 6.713 0.013 9 0 "[ . 1 . 2]" 1
535 1 152 LEU CD2 1 190 LEU CG 3.000 . 6.700 6.088 4.441 6.713 0.013 7 0 "[ . 1 . 2]" 1
536 1 155 ILE CD1 1 187 GLU H 5.000 . 7.000 5.860 5.047 7.008 0.008 14 0 "[ . 1 . 2]" 1
537 1 155 ILE CG2 1 190 LEU CG 4.000 . 8.000 5.464 4.769 8.002 0.002 7 0 "[ . 1 . 2]" 1
538 1 155 ILE CD1 1 190 LEU CG 4.000 . 8.000 6.419 5.172 8.005 0.005 11 0 "[ . 1 . 2]" 1
539 1 156 HIS HD2 1 190 LEU CG 4.000 . 7.000 6.398 5.623 7.001 0.001 4 0 "[ . 1 . 2]" 1
540 1 156 HIS HE1 1 190 LEU CG 5.000 . 8.000 5.535 4.254 6.866 . 0 0 "[ . 1 . 2]" 1
541 1 159 LEU CG 1 190 LEU CG 3.000 . 7.700 7.148 6.149 7.543 . 0 0 "[ . 1 . 2]" 1
542 1 159 LEU CG 1 194 GLN H 4.000 . 7.000 6.916 6.428 7.026 0.026 16 0 "[ . 1 . 2]" 1
543 1 159 LEU CG 1 194 GLN HA 5.000 . 8.000 6.665 5.835 7.458 . 0 0 "[ . 1 . 2]" 1
544 1 159 LEU CG 1 194 GLN HE21 4.000 . 7.000 5.573 3.449 6.997 . 0 0 "[ . 1 . 2]" 1
545 1 159 LEU CG 1 194 GLN HE22 4.000 . 7.000 5.777 3.707 7.000 . 14 0 "[ . 1 . 2]" 1
546 1 166 ASN HA 1 174 THR HA 4.000 . 5.000 4.480 3.907 5.008 0.008 9 0 "[ . 1 . 2]" 1
547 1 166 ASN HA 1 174 THR HB 3.000 . 3.700 2.832 1.953 3.564 . 0 0 "[ . 1 . 2]" 1
548 1 166 ASN HA 1 174 THR CG2 4.000 . 6.000 4.409 3.848 4.919 . 0 0 "[ . 1 . 2]" 1
549 1 166 ASN ND2 1 196 ALA H 4.000 . 6.000 5.506 5.083 6.059 0.059 16 0 "[ . 1 . 2]" 1
550 1 166 ASN HD21 1 196 ALA HA 3.000 . 3.700 2.974 1.947 3.703 0.003 11 0 "[ . 1 . 2]" 1
551 1 166 ASN HD22 1 196 ALA HA 5.000 . 6.000 2.796 1.979 4.370 . 0 0 "[ . 1 . 2]" 1
552 1 166 ASN HD21 1 197 SER H 4.000 . 5.000 3.476 1.857 5.015 0.015 16 0 "[ . 1 . 2]" 1
553 1 166 ASN HD22 1 197 SER H 4.000 . 5.000 3.032 1.987 5.010 0.010 8 0 "[ . 1 . 2]" 1
554 1 166 ASN HD21 1 197 SER HA 5.000 . 6.000 5.265 4.472 6.011 0.011 19 0 "[ . 1 . 2]" 1
555 1 166 ASN HD22 1 197 SER HA 5.000 . 6.000 4.715 3.737 6.018 0.018 20 0 "[ . 1 . 2]" 1
556 1 166 ASN HA 1 200 ILE CG2 5.000 . 7.000 6.369 5.110 6.935 . 0 0 "[ . 1 . 2]" 1
557 1 166 ASN HA 1 200 ILE CD1 4.000 . 6.000 4.773 3.713 5.488 . 0 0 "[ . 1 . 2]" 1
558 1 166 ASN HB2 1 200 ILE CD1 3.000 . 4.700 4.111 2.790 4.739 0.039 14 0 "[ . 1 . 2]" 1
559 1 166 ASN HB3 1 200 ILE CD1 3.000 . 4.700 3.131 2.469 3.807 . 0 0 "[ . 1 . 2]" 1
560 1 166 ASN HD21 1 200 ILE CD1 4.000 . 6.000 3.729 2.702 5.340 . 0 0 "[ . 1 . 2]" 1
561 1 166 ASN HD22 1 200 ILE CD1 4.000 . 6.000 3.950 2.680 6.014 0.014 20 0 "[ . 1 . 2]" 1
562 1 167 ILE H 1 174 THR HA 5.000 . 6.000 4.755 3.426 5.471 . 0 0 "[ . 1 . 2]" 1
563 1 167 ILE H 1 174 THR HB 5.000 . 6.000 4.396 2.849 5.210 . 0 0 "[ . 1 . 2]" 1
564 1 167 ILE H 1 174 THR CG2 5.000 . 7.000 5.503 4.405 6.353 . 0 0 "[ . 1 . 2]" 1
565 1 167 ILE CG2 1 174 THR HA 5.000 . 7.000 5.807 5.457 6.229 . 0 0 "[ . 1 . 2]" 1
566 1 167 ILE H 1 175 PRO HD2 5.000 . 6.000 3.700 2.318 4.761 . 0 0 "[ . 1 . 2]" 1
567 1 167 ILE H 1 175 PRO HD3 5.000 . 6.000 3.670 2.350 4.460 . 0 0 "[ . 1 . 2]" 1
568 1 168 GLN H 1 174 THR HA 5.000 . 6.000 5.121 4.864 5.599 . 0 0 "[ . 1 . 2]" 1
569 1 168 GLN H 1 174 THR HB 5.000 . 6.000 5.844 5.505 6.034 0.034 19 0 "[ . 1 . 2]" 1
570 1 168 GLN H 1 174 THR CG2 4.000 . 6.000 5.262 4.726 5.843 . 0 0 "[ . 1 . 2]" 1
571 1 168 GLN HA 1 174 THR HA 4.000 . 5.000 3.167 2.590 3.826 . 0 0 "[ . 1 . 2]" 1
572 1 168 GLN HA 1 174 THR HB 5.000 . 6.000 4.654 4.093 4.988 . 0 0 "[ . 1 . 2]" 1
573 1 168 GLN HA 1 174 THR CG2 3.000 . 4.700 3.753 3.066 4.633 . 0 0 "[ . 1 . 2]" 1
574 1 168 GLN CB 1 174 THR CG2 3.000 . 6.700 4.116 3.414 4.727 . 0 0 "[ . 1 . 2]" 1
575 1 168 GLN HE21 1 174 THR CG2 5.000 . 7.000 4.466 2.470 6.234 . 0 0 "[ . 1 . 2]" 1
576 1 168 GLN HE22 1 174 THR CG2 5.000 . 7.000 5.036 2.882 6.946 . 0 0 "[ . 1 . 2]" 1
577 1 168 GLN HE21 1 200 ILE CG2 4.000 . 6.000 5.201 4.382 6.007 0.007 1 0 "[ . 1 . 2]" 1
578 1 168 GLN HE22 1 200 ILE CG2 4.000 . 6.000 4.869 3.489 5.999 . 0 0 "[ . 1 . 2]" 1
579 1 169 ASP H 1 174 THR H 5.000 . 6.000 5.148 4.605 5.602 . 0 0 "[ . 1 . 2]" 1
580 1 169 ASP H 1 174 THR HA 5.000 . 6.000 4.440 3.714 4.866 . 0 0 "[ . 1 . 2]" 1
581 1 169 ASP H 1 174 THR CG2 5.000 . 7.000 5.578 4.856 6.483 . 0 0 "[ . 1 . 2]" 1
582 1 171 GLU H 1 203 LYS HG2 5.000 . 6.000 5.782 4.347 6.059 0.059 9 0 "[ . 1 . 2]" 1
583 1 171 GLU H 1 203 LYS HG3 5.000 . 6.000 5.717 5.063 6.091 0.091 14 0 "[ . 1 . 2]" 1
584 1 171 GLU H 1 203 LYS CD 5.000 . 7.000 6.414 5.402 7.026 0.026 10 0 "[ . 1 . 2]" 1
585 1 171 GLU HA 1 203 LYS HG2 5.000 . 6.000 3.816 3.071 5.078 . 0 0 "[ . 1 . 2]" 1
586 1 171 GLU HA 1 203 LYS HG3 5.000 . 6.000 3.914 2.498 5.127 . 0 0 "[ . 1 . 2]" 1
587 1 171 GLU HA 1 203 LYS HD2 4.000 . 5.000 4.117 1.992 5.020 0.020 1 0 "[ . 1 . 2]" 1
588 1 171 GLU HA 1 203 LYS HD3 4.000 . 5.000 4.445 2.989 5.027 0.027 1 0 "[ . 1 . 2]" 1
589 1 171 GLU CG 1 203 LYS HG2 4.000 . 7.000 5.077 3.829 6.955 . 0 0 "[ . 1 . 2]" 1
590 1 171 GLU CG 1 203 LYS HG3 4.000 . 7.000 4.353 2.691 5.837 . 0 0 "[ . 1 . 2]" 1
591 1 172 GLY H 1 202 ASN HA 5.000 . 6.000 5.936 5.658 6.057 0.057 20 0 "[ . 1 . 2]" 1
592 1 172 GLY H 1 203 LYS HG2 5.000 . 6.000 4.633 2.376 5.368 . 0 0 "[ . 1 . 2]" 1
593 1 172 GLY H 1 203 LYS HG3 5.000 . 6.000 4.728 3.211 5.790 . 0 0 "[ . 1 . 2]" 1
594 1 172 GLY H 1 203 LYS CD 5.000 . 7.000 5.831 4.066 6.870 . 0 0 "[ . 1 . 2]" 1
595 1 173 ASN HD21 1 178 LEU CG 3.000 . 5.700 5.059 4.109 5.726 0.026 19 0 "[ . 1 . 2]" 1
596 1 173 ASN HD22 1 178 LEU CG 3.000 . 5.700 5.608 4.987 5.739 0.039 7 0 "[ . 1 . 2]" 1
597 1 173 ASN H 1 202 ASN HA 5.000 . 6.000 5.277 4.517 5.735 . 0 0 "[ . 1 . 2]" 1
598 1 174 THR H 1 200 ILE CG2 5.000 . 7.000 5.581 5.068 6.889 . 0 0 "[ . 1 . 2]" 1
599 1 174 THR H 1 200 ILE CD1 5.000 . 7.000 6.864 6.249 7.034 0.034 7 0 "[ . 1 . 2]" 1
600 1 174 THR CG2 1 200 ILE CG2 4.000 . 7.000 3.492 3.089 4.675 . 0 0 "[ . 1 . 2]" 1
601 1 174 THR CG2 1 200 ILE CD1 4.000 . 7.000 4.488 3.869 5.014 . 0 0 "[ . 1 . 2]" 1
602 1 176 LEU H 1 191 LEU CG 4.000 . 7.000 5.831 5.294 6.639 . 0 0 "[ . 1 . 2]" 1
603 1 176 LEU HA 1 191 LEU CG 3.000 . 5.700 4.894 3.899 5.473 . 0 0 "[ . 1 . 2]" 1
604 1 177 HIS HE1 1 200 ILE H 5.000 . 6.000 5.061 4.521 5.591 . 0 0 "[ . 1 . 2]" 1
605 1 177 HIS HE2 1 200 ILE H 5.000 . 6.000 5.826 4.800 6.038 0.038 15 0 "[ . 1 . 2]" 1
606 1 177 HIS HE2 1 200 ILE CG2 4.000 . 6.000 5.109 4.760 6.006 0.006 14 0 "[ . 1 . 2]" 1
607 1 177 HIS HE2 1 200 ILE CD1 5.000 . 7.000 6.996 6.661 7.064 0.064 12 0 "[ . 1 . 2]" 1
608 1 177 HIS HE1 1 201 GLU H 5.000 . 6.000 4.117 1.961 4.623 . 0 0 "[ . 1 . 2]" 1
609 1 177 HIS HE2 1 201 GLU H 5.000 . 6.000 4.767 3.626 5.354 . 0 0 "[ . 1 . 2]" 1
610 1 177 HIS HE2 1 201 GLU HA 4.000 . 5.000 2.860 2.575 3.687 . 0 0 "[ . 1 . 2]" 1
611 1 177 HIS HD2 1 202 ASN H 5.000 . 6.000 5.615 4.954 6.014 0.014 20 0 "[ . 1 . 2]" 1
612 1 177 HIS HE1 1 202 ASN H 4.000 . 5.000 4.729 4.090 5.021 0.021 5 0 "[ . 1 . 2]" 1
613 1 177 HIS HE2 1 202 ASN H 3.000 . 3.700 3.706 3.543 3.756 0.056 20 0 "[ . 1 . 2]" 1
614 1 177 HIS HE2 1 206 LYS H 4.000 . 5.000 4.979 4.861 5.040 0.040 7 0 "[ . 1 . 2]" 1
615 1 177 HIS HE2 1 206 LYS CE 5.000 . 7.000 6.953 5.633 7.110 0.110 8 0 "[ . 1 . 2]" 1
616 1 177 HIS HD2 1 207 THR CG2 5.000 . 7.000 6.986 6.766 7.053 0.053 2 0 "[ . 1 . 2]" 1
617 1 177 HIS HE1 1 207 THR HA 4.000 . 5.000 3.916 3.628 4.211 . 0 0 "[ . 1 . 2]" 1
618 1 177 HIS HE1 1 207 THR HB 5.000 . 6.000 5.802 5.495 6.027 0.027 15 0 "[ . 1 . 2]" 1
619 1 177 HIS HE2 1 207 THR H 5.000 . 6.000 4.310 4.077 4.705 . 0 0 "[ . 1 . 2]" 1
620 1 177 HIS HE2 1 207 THR HA 4.000 . 5.000 2.361 2.043 2.560 . 0 0 "[ . 1 . 2]" 1
621 1 177 HIS HE2 1 207 THR CG2 4.000 . 6.000 5.091 4.803 5.334 . 0 0 "[ . 1 . 2]" 1
622 1 177 HIS H 1 208 PRO CG 5.000 . 7.000 5.457 4.483 6.264 . 0 0 "[ . 1 . 2]" 1
623 1 177 HIS HD2 1 208 PRO CG 5.000 . 7.000 5.039 4.307 5.705 . 0 0 "[ . 1 . 2]" 1
624 1 177 HIS HE1 1 208 PRO CG 5.000 . 7.000 5.034 4.461 5.707 . 0 0 "[ . 1 . 2]" 1
625 1 177 HIS HD2 1 211 VAL HA 5.000 . 6.000 5.589 5.164 6.016 0.016 1 0 "[ . 1 . 2]" 1
626 1 177 HIS HD2 1 211 VAL CG1 3.000 . 4.700 2.990 2.720 3.213 . 0 0 "[ . 1 . 2]" 1
627 1 177 HIS HD2 1 211 VAL CG2 3.000 . 4.700 4.050 3.400 4.551 . 0 0 "[ . 1 . 2]" 1
628 1 177 HIS HE2 1 211 VAL CG1 5.000 . 7.000 5.194 4.887 5.404 . 0 0 "[ . 1 . 2]" 1
629 1 177 HIS HE2 1 211 VAL CG2 5.000 . 7.000 6.075 5.474 6.449 . 0 0 "[ . 1 . 2]" 1
630 1 177 HIS HD2 1 212 ALA H 5.000 . 6.000 5.845 5.436 6.041 0.041 14 0 "[ . 1 . 2]" 1
631 1 179 ALA CB 1 184 ARG H 5.000 . 7.000 5.255 4.854 5.758 . 0 0 "[ . 1 . 2]" 1
632 1 179 ALA CB 1 187 GLU H 5.000 . 7.000 5.787 5.095 6.575 . 0 0 "[ . 1 . 2]" 1
633 1 179 ALA CB 1 188 ALA H 5.000 . 7.000 4.550 4.019 5.167 . 0 0 "[ . 1 . 2]" 1
634 1 180 CYS H 1 211 VAL CB 5.000 . 8.000 6.800 6.069 7.362 . 0 0 "[ . 1 . 2]" 1
635 1 180 CYS HB2 1 212 ALA H 5.000 . 6.000 4.750 4.167 5.292 . 0 0 "[ . 1 . 2]" 1
636 1 180 CYS HB3 1 212 ALA H 5.000 . 6.000 3.924 3.493 5.290 . 0 0 "[ . 1 . 2]" 1
637 1 180 CYS HG 1 212 ALA H 5.000 . 6.000 5.480 3.960 6.002 0.002 2 0 "[ . 1 . 2]" 1
638 1 181 ASP H 1 211 VAL CG1 4.000 . 6.000 4.340 3.907 4.814 . 0 0 "[ . 1 . 2]" 1
639 1 183 GLU HG2 1 213 LYS CE 4.000 . 6.000 3.974 2.843 5.579 . 0 0 "[ . 1 . 2]" 1
640 1 183 GLU HG3 1 213 LYS CE 4.000 . 6.000 4.936 3.513 6.043 0.043 11 0 "[ . 1 . 2]" 1
641 1 189 LYS H 1 220 LEU CG 4.000 . 7.000 5.623 5.030 6.835 . 0 0 "[ . 1 . 2]" 1
642 1 189 LYS HA 1 220 LEU CG 3.000 . 5.700 4.457 3.600 5.597 . 0 0 "[ . 1 . 2]" 1
643 1 189 LYS HA 1 223 MET CE 4.000 . 6.000 3.865 3.413 4.353 . 0 0 "[ . 1 . 2]" 1
644 1 189 LYS CD 1 223 MET CE 3.000 . 5.700 4.623 3.875 5.431 . 0 0 "[ . 1 . 2]" 1
645 1 190 LEU H 1 223 MET CE 5.000 . 7.000 6.590 6.182 6.983 . 0 0 "[ . 1 . 2]" 1
646 1 191 LEU CG 1 196 ALA H 5.000 . 8.000 6.214 5.412 7.058 . 0 0 "[ . 1 . 2]" 1
647 1 192 VAL H 1 223 MET CE 4.000 . 6.000 5.891 5.522 6.010 0.010 1 0 "[ . 1 . 2]" 1
648 1 193 SER H 1 223 MET CE 3.000 . 4.700 4.512 4.054 4.708 0.008 17 0 "[ . 1 . 2]" 1
649 1 193 SER HA 1 223 MET CE 3.000 . 4.700 4.234 3.214 4.716 0.016 13 0 "[ . 1 . 2]" 1
650 1 193 SER HB2 1 223 MET CE 3.000 . 4.700 4.241 2.693 4.714 0.014 17 0 "[ . 1 . 2]" 1
651 1 193 SER HB3 1 223 MET CE 3.000 . 4.700 4.284 3.282 4.716 0.016 2 0 "[ . 1 . 2]" 1
652 1 198 ILE CD1 1 221 LYS HA 4.000 . 6.000 3.025 2.395 6.023 0.023 14 0 "[ . 1 . 2]" 1
653 1 198 ILE CD1 1 221 LYS CE 4.000 . 7.000 5.310 3.422 7.010 0.010 14 0 "[ . 1 . 2]" 1
654 1 198 ILE H 1 224 VAL CB 4.000 . 7.000 4.913 3.955 6.190 . 0 0 "[ . 1 . 2]" 1
655 1 198 ILE CG1 1 224 VAL H 5.000 . 7.000 5.236 4.268 5.755 . 0 0 "[ . 1 . 2]" 1
656 1 198 ILE CG1 1 224 VAL CG1 4.000 . 7.000 3.738 3.162 4.879 . 0 0 "[ . 1 . 2]" 1
657 1 198 ILE CG1 1 224 VAL CG2 4.000 . 7.000 3.479 3.008 4.207 . 0 0 "[ . 1 . 2]" 1
658 1 198 ILE CD1 1 224 VAL H 4.000 . 6.000 4.732 4.188 6.057 0.057 16 0 "[ . 1 . 2]" 1
659 1 198 ILE CD1 1 224 VAL HA 4.000 . 6.000 5.543 5.114 6.006 0.006 1 0 "[ . 1 . 2]" 1
660 1 198 ILE CD1 1 224 VAL HB 3.000 . 4.700 2.782 2.369 4.378 . 0 0 "[ . 1 . 2]" 1
661 1 198 ILE CD1 1 224 VAL CG1 3.000 . 5.700 3.769 3.175 4.327 . 0 0 "[ . 1 . 2]" 1
662 1 198 ILE CD1 1 224 VAL CG2 3.000 . 5.700 3.622 2.980 4.515 . 0 0 "[ . 1 . 2]" 1
663 1 198 ILE CG2 1 225 GLU H 5.000 . 7.000 6.630 5.668 7.024 0.024 14 0 "[ . 1 . 2]" 1
664 1 198 ILE CD1 1 225 GLU H 5.000 . 7.000 4.949 4.661 5.795 . 0 0 "[ . 1 . 2]" 1
665 1 198 ILE CD1 1 225 GLU HA 5.000 . 7.000 7.023 6.898 7.052 0.052 6 0 "[ . 1 . 2]" 1
666 1 198 ILE CD1 1 226 GLY H 5.000 . 7.000 4.973 4.336 7.015 0.015 14 0 "[ . 1 . 2]" 1
667 1 199 TYR HA 1 207 THR CG2 4.000 . 6.000 3.461 2.919 5.249 . 0 0 "[ . 1 . 2]" 1
668 1 199 TYR CG 1 207 THR HA 4.000 . 7.000 7.029 6.359 7.137 0.137 8 0 "[ . 1 . 2]" 1
669 1 199 TYR CG 1 207 THR HB 3.000 . 5.700 5.158 4.010 5.712 0.012 4 0 "[ . 1 . 2]" 1
670 1 199 TYR CG 1 207 THR CG2 3.000 . 6.700 5.348 4.553 5.863 . 0 0 "[ . 1 . 2]" 1
671 1 199 TYR CG 1 221 LYS CE 4.000 . 8.000 6.510 4.757 7.990 . 0 0 "[ . 1 . 2]" 1
672 1 199 TYR CZ 1 221 LYS CE 3.000 . 6.700 4.883 3.520 6.363 . 0 0 "[ . 1 . 2]" 1
673 1 199 TYR CZ 1 224 VAL CB 3.000 . 7.700 7.672 7.347 7.724 0.024 15 0 "[ . 1 . 2]" 1
674 1 199 TYR CZ 1 224 VAL CG1 4.000 . 8.000 7.429 6.109 7.735 . 0 0 "[ . 1 . 2]" 1
675 1 200 ILE H 1 207 THR HA 5.000 . 6.000 4.682 3.045 5.001 . 0 0 "[ . 1 . 2]" 1
676 1 200 ILE H 1 207 THR CG2 5.000 . 7.000 5.190 3.721 5.975 . 0 0 "[ . 1 . 2]" 1
677 1 201 GLU HA 1 206 LYS H 4.000 . 5.000 4.028 3.777 4.591 . 0 0 "[ . 1 . 2]" 1
678 1 201 GLU H 1 207 THR H 5.000 . 6.000 6.056 6.025 6.105 0.105 8 0 "[ . 1 . 2]" 1
679 1 201 GLU H 1 207 THR HA 5.000 . 6.000 4.125 3.598 4.296 . 0 0 "[ . 1 . 2]" 1
680 1 201 GLU HA 1 207 THR HA 3.000 . 3.700 2.156 1.869 2.833 . 0 0 "[ . 1 . 2]" 1
681 1 201 GLU H 1 207 THR CG2 4.000 . 6.000 4.597 3.719 5.407 . 0 0 "[ . 1 . 2]" 1
682 1 201 GLU HA 1 207 THR H 5.000 . 6.000 3.529 3.429 3.809 . 0 0 "[ . 1 . 2]" 1
683 1 201 GLU HA 1 207 THR CG2 4.000 . 6.000 3.355 2.855 3.867 . 0 0 "[ . 1 . 2]" 1
684 1 201 GLU HB2 1 207 THR CG2 4.000 . 6.000 5.163 3.886 5.999 . 0 0 "[ . 1 . 2]" 1
685 1 201 GLU HB3 1 207 THR CG2 4.000 . 6.000 4.339 2.826 5.280 . 0 0 "[ . 1 . 2]" 1
686 1 201 GLU HG2 1 207 THR CG2 4.000 . 6.000 4.311 2.586 6.005 0.005 16 0 "[ . 1 . 2]" 1
687 1 201 GLU HG3 1 207 THR CG2 4.000 . 6.000 4.262 2.703 6.018 0.018 16 0 "[ . 1 . 2]" 1
688 1 202 ASN H 1 207 THR H 5.000 . 6.000 4.631 4.340 4.900 . 0 0 "[ . 1 . 2]" 1
689 1 202 ASN H 1 207 THR HA 4.000 . 5.000 4.300 4.116 4.483 . 0 0 "[ . 1 . 2]" 1
690 1 202 ASN H 1 207 THR CG2 4.000 . 6.000 5.561 5.036 5.912 . 0 0 "[ . 1 . 2]" 1
691 1 206 LYS CE 1 211 VAL H 5.000 . 7.000 5.825 4.953 7.005 0.005 15 0 "[ . 1 . 2]" 1
692 1 209 LEU HA 1 217 GLY H 5.000 . 6.000 3.875 2.933 4.276 . 0 0 "[ . 1 . 2]" 1
693 1 209 LEU CD1 1 221 LYS CE 4.000 . 7.000 5.274 3.562 6.730 . 0 0 "[ . 1 . 2]" 1
694 1 209 LEU CD2 1 221 LYS CE 4.000 . 7.000 5.375 3.785 7.010 0.010 20 0 "[ . 1 . 2]" 1
695 1 212 ALA H 1 217 GLY H 5.000 . 6.000 4.951 4.793 5.136 . 0 0 "[ . 1 . 2]" 1
696 1 212 ALA H 1 217 GLY HA2 5.000 . 6.000 5.002 4.545 5.920 . 0 0 "[ . 1 . 2]" 1
697 1 212 ALA H 1 217 GLY HA3 5.000 . 6.000 4.349 3.923 4.959 . 0 0 "[ . 1 . 2]" 1
698 1 212 ALA CB 1 217 GLY H 2.500 . 3.700 3.687 3.221 3.745 0.045 8 0 "[ . 1 . 2]" 1
699 1 212 ALA CB 1 217 GLY HA2 4.000 . 6.000 3.312 2.829 4.214 . 0 0 "[ . 1 . 2]" 1
700 1 212 ALA CB 1 217 GLY HA3 4.000 . 6.000 3.510 2.984 4.023 . 0 0 "[ . 1 . 2]" 1
701 1 212 ALA CB 1 218 LEU H 4.000 . 6.000 5.873 5.632 6.028 0.028 16 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 413
_Distance_constraint_stats_list.Viol_count 388
_Distance_constraint_stats_list.Viol_total 402.058
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.776 0.063 7 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 3.056 0.146 10 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 2.280 0.146 10 0 "[ . 1 . 2]"
1 18 LYS 0.376 0.081 10 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.342 0.081 10 0 "[ . 1 . 2]"
1 21 GLU 0.089 0.021 10 0 "[ . 1 . 2]"
1 22 LEU 0.032 0.019 20 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.087 0.021 10 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.045 0.016 12 0 "[ . 1 . 2]"
1 27 LEU 0.767 0.047 10 0 "[ . 1 . 2]"
1 28 ALA 0.545 0.053 5 0 "[ . 1 . 2]"
1 29 ASP 0.767 0.047 10 0 "[ . 1 . 2]"
1 30 LYS 0.590 0.053 5 0 "[ . 1 . 2]"
1 31 SER 0.089 0.019 6 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.017 0.017 2 0 "[ . 1 . 2]"
1 34 THR 0.089 0.019 6 0 "[ . 1 . 2]"
1 35 ARG 0.017 0.017 2 0 "[ . 1 . 2]"
1 37 ASP 0.058 0.043 15 0 "[ . 1 . 2]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.043 0.025 4 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ARG 0.101 0.043 15 0 "[ . 1 . 2]"
1 42 THR 0.512 0.087 16 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 0.512 0.087 16 0 "[ . 1 . 2]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.156 0.054 20 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 51 GLY 0.156 0.054 20 0 "[ . 1 . 2]"
1 52 HIS 0.002 0.002 17 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.281 0.040 1 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 2.637 0.177 14 0 "[ . 1 . 2]"
1 63 GLY 0.281 0.040 1 0 "[ . 1 . 2]"
1 64 VAL 2.637 0.177 14 0 "[ . 1 . 2]"
1 65 PRO 0.615 0.112 14 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.615 0.112 14 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 2.121 0.151 14 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 1.526 0.157 1 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TRP 3.647 0.157 1 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.006 0.006 20 0 "[ . 1 . 2]"
1 92 LEU 1.018 0.108 15 0 "[ . 1 . 2]"
1 93 LEU 0.156 0.134 15 0 "[ . 1 . 2]"
1 94 GLY 0.006 0.006 20 0 "[ . 1 . 2]"
1 95 LYS 1.170 0.152 15 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.308 0.152 15 0 "[ . 1 . 2]"
1 98 GLN 0.516 0.064 5 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASN 0.129 0.038 11 0 "[ . 1 . 2]"
1 101 ALA 0.516 0.064 5 0 "[ . 1 . 2]"
1 102 VAL 0.129 0.038 11 0 "[ . 1 . 2]"
1 103 ASN 0.029 0.029 1 0 "[ . 1 . 2]"
1 104 GLN 0.380 0.069 4 0 "[ . 1 . 2]"
1 105 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.380 0.069 4 0 "[ . 1 . 2]"
1 107 CYS 0.029 0.029 1 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.156 0.084 1 0 "[ . 1 . 2]"
1 128 GLY 0.339 0.144 1 0 "[ . 1 . 2]"
1 129 GLY 0.156 0.084 1 0 "[ . 1 . 2]"
1 130 ALA 0.339 0.144 1 0 "[ . 1 . 2]"
1 131 ASN 0.083 0.027 6 0 "[ . 1 . 2]"
1 133 ASP 0.083 0.027 6 0 "[ . 1 . 2]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ASP 0.016 0.016 18 0 "[ . 1 . 2]"
1 137 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.390 0.105 8 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ALA 0.407 0.105 8 0 "[ . 1 . 2]"
1 141 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 LYS 0.024 0.012 18 0 "[ . 1 . 2]"
1 151 ASN 0.060 0.029 14 0 "[ . 1 . 2]"
1 152 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 MET 0.036 0.029 14 0 "[ . 1 . 2]"
1 155 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 TYR 0.586 0.077 15 0 "[ . 1 . 2]"
1 162 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 ALA 0.586 0.077 15 0 "[ . 1 . 2]"
1 165 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 169 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 170 THR 0.720 0.207 12 0 "[ . 1 . 2]"
1 171 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 172 GLY 0.720 0.207 12 0 "[ . 1 . 2]"
1 173 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 174 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 176 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 178 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 180 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 181 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 182 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 183 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 184 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 185 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 186 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 187 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 188 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 190 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 191 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 VAL 0.424 0.100 11 0 "[ . 1 . 2]"
1 193 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 194 GLN 0.447 0.083 3 0 "[ . 1 . 2]"
1 195 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 196 ALA 0.871 0.100 11 0 "[ . 1 . 2]"
1 198 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 199 TYR 0.086 0.086 16 0 "[ . 1 . 2]"
1 200 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 201 GLU 0.086 0.086 16 0 "[ . 1 . 2]"
1 202 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 203 LYS 0.130 0.057 5 0 "[ . 1 . 2]"
1 204 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 205 GLU 0.130 0.057 5 0 "[ . 1 . 2]"
1 206 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 207 THR 0.284 0.053 17 0 "[ . 1 . 2]"
1 208 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 209 LEU 0.284 0.053 17 0 "[ . 1 . 2]"
1 210 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 211 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 212 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 213 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 216 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 217 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 218 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 219 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 220 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 221 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 222 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 223 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 224 VAL 1.063 0.073 19 0 "[ . 1 . 2]"
1 225 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 226 GLY 1.063 0.073 19 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 VAL H 1 12 ASN H 5.000 . 6.000 4.279 4.058 4.432 . 0 0 "[ . 1 . 2]" 2
2 1 11 CYS H 1 13 LEU H 5.000 . 6.000 3.986 3.907 4.121 . 0 0 "[ . 1 . 2]" 2
3 1 12 ASN H 1 14 ALA H 5.000 . 6.000 4.277 3.994 4.452 . 0 0 "[ . 1 . 2]" 2
4 1 13 LEU H 1 15 TYR H 5.000 . 6.000 3.987 3.802 4.112 . 0 0 "[ . 1 . 2]" 2
5 1 14 ALA H 1 16 SER H 5.000 . 6.000 4.179 4.084 4.279 . 0 0 "[ . 1 . 2]" 2
6 1 15 TYR H 1 17 GLY H 5.000 . 6.000 3.786 3.756 3.827 . 0 0 "[ . 1 . 2]" 2
7 1 16 SER H 1 18 LYS H 4.000 . 5.000 3.704 3.553 4.321 . 0 0 "[ . 1 . 2]" 2
8 1 17 GLY H 1 19 LEU H 5.000 . 6.000 5.492 5.152 5.872 . 0 0 "[ . 1 . 2]" 2
9 1 18 LYS H 1 20 GLU H 5.000 . 6.000 5.900 5.662 6.081 0.081 10 0 "[ . 1 . 2]" 2
10 1 19 LEU H 1 21 GLU H 4.000 . 5.000 4.310 3.896 4.472 . 0 0 "[ . 1 . 2]" 2
11 1 20 GLU H 1 22 LEU H 5.000 . 6.000 3.951 3.886 4.027 . 0 0 "[ . 1 . 2]" 2
12 1 21 GLU H 1 23 LYS H 5.000 . 6.000 4.155 3.993 4.272 . 0 0 "[ . 1 . 2]" 2
13 1 22 LEU H 1 24 GLU H 4.000 . 5.000 4.311 4.165 4.459 . 0 0 "[ . 1 . 2]" 2
14 1 23 LYS H 1 25 SER H 5.000 . 6.000 3.893 3.819 4.033 . 0 0 "[ . 1 . 2]" 2
15 1 24 GLU H 1 26 ILE H 5.000 . 6.000 4.374 4.304 4.451 . 0 0 "[ . 1 . 2]" 2
16 1 25 SER H 1 27 LEU H 4.000 . 5.000 3.880 3.811 4.032 . 0 0 "[ . 1 . 2]" 2
17 1 26 ILE H 1 28 ALA H 4.000 . 5.000 4.043 3.974 4.097 . 0 0 "[ . 1 . 2]" 2
18 1 27 LEU H 1 29 ASP H 3.000 . 3.700 3.738 3.728 3.747 0.047 10 0 "[ . 1 . 2]" 2
19 1 28 ALA H 1 30 LYS H 5.000 . 6.000 6.024 5.946 6.053 0.053 5 0 "[ . 1 . 2]" 2
20 1 29 ASP H 1 31 SER H 5.000 . 6.000 5.801 5.671 5.887 . 0 0 "[ . 1 . 2]" 2
21 1 31 SER H 1 33 ALA H 5.000 . 6.000 4.316 4.166 4.395 . 0 0 "[ . 1 . 2]" 2
22 1 32 LEU H 1 34 THR H 5.000 . 6.000 4.222 4.185 4.269 . 0 0 "[ . 1 . 2]" 2
23 1 33 ALA H 1 35 ARG H 4.000 . 5.000 3.992 3.869 4.128 . 0 0 "[ . 1 . 2]" 2
24 1 37 ASP H 1 39 ASP H 5.000 . 6.000 4.297 4.021 4.609 . 0 0 "[ . 1 . 2]" 2
25 1 38 GLN H 1 40 SER H 5.000 . 6.000 3.972 2.928 4.501 . 0 0 "[ . 1 . 2]" 2
26 1 39 ASP H 1 41 ARG H 3.000 . 3.700 3.276 2.728 3.725 0.025 4 0 "[ . 1 . 2]" 2
27 1 42 THR H 1 44 LEU H 5.000 . 6.000 4.610 4.370 4.786 . 0 0 "[ . 1 . 2]" 2
28 1 43 ALA H 1 45 HIS H 5.000 . 6.000 4.504 4.408 4.565 . 0 0 "[ . 1 . 2]" 2
29 1 44 LEU H 1 46 TRP H 5.000 . 6.000 4.014 3.849 4.446 . 0 0 "[ . 1 . 2]" 2
30 1 45 HIS H 1 47 ALA H 5.000 . 6.000 4.142 4.021 4.238 . 0 0 "[ . 1 . 2]" 2
31 1 46 TRP H 1 48 CYS H 5.000 . 6.000 4.157 4.049 4.345 . 0 0 "[ . 1 . 2]" 2
32 1 47 ALA H 1 49 SER H 5.000 . 6.000 4.138 4.029 4.234 . 0 0 "[ . 1 . 2]" 2
33 1 48 CYS H 1 50 ALA H 5.000 . 6.000 4.022 3.887 4.154 . 0 0 "[ . 1 . 2]" 2
34 1 49 SER H 1 51 GLY H 4.000 . 5.000 4.149 3.809 4.661 . 0 0 "[ . 1 . 2]" 2
35 1 50 ALA H 1 52 HIS H 4.000 . 5.000 4.313 3.976 5.002 0.002 17 0 "[ . 1 . 2]" 2
36 1 53 THR H 1 55 ILE H 5.000 . 6.000 4.198 3.884 4.448 . 0 0 "[ . 1 . 2]" 2
37 1 54 GLU H 1 56 VAL H 5.000 . 6.000 4.346 4.110 4.410 . 0 0 "[ . 1 . 2]" 2
38 1 55 ILE H 1 57 GLU H 5.000 . 6.000 3.956 3.841 4.147 . 0 0 "[ . 1 . 2]" 2
39 1 56 VAL H 1 58 PHE H 5.000 . 6.000 4.204 4.080 4.312 . 0 0 "[ . 1 . 2]" 2
40 1 57 GLU H 1 59 LEU H 5.000 . 6.000 4.110 4.034 4.232 . 0 0 "[ . 1 . 2]" 2
41 1 58 PHE H 1 60 LEU H 5.000 . 6.000 4.161 4.054 4.330 . 0 0 "[ . 1 . 2]" 2
42 1 60 LEU H 1 62 LEU H 5.000 . 6.000 4.273 4.050 4.447 . 0 0 "[ . 1 . 2]" 2
43 1 61 GLN H 1 63 GLY H 4.000 . 5.000 3.900 3.795 4.042 . 0 0 "[ . 1 . 2]" 2
44 1 62 LEU H 1 64 VAL H 3.000 . 3.700 3.832 3.790 3.877 0.177 14 0 "[ . 1 . 2]" 2
45 1 72 ALA H 1 74 TRP H 3.000 . 3.700 3.715 3.210 3.857 0.157 1 0 "[ . 1 . 2]" 2
46 1 75 SER H 1 77 LEU H 5.000 . 6.000 5.235 4.960 5.400 . 0 0 "[ . 1 . 2]" 2
47 1 79 ILE H 1 81 ALA H 4.000 . 5.000 4.405 4.309 4.489 . 0 0 "[ . 1 . 2]" 2
48 1 80 ALA H 1 82 SER H 5.000 . 6.000 3.977 3.709 4.085 . 0 0 "[ . 1 . 2]" 2
49 1 82 SER H 1 84 GLY H 5.000 . 6.000 4.108 3.793 4.917 . 0 0 "[ . 1 . 2]" 2
50 1 83 ALA H 1 85 ARG H 4.000 . 5.000 3.716 3.301 4.093 . 0 0 "[ . 1 . 2]" 2
51 1 86 ASP H 1 88 ILE H 5.000 . 6.000 4.438 4.282 4.496 . 0 0 "[ . 1 . 2]" 2
52 1 87 GLU H 1 89 VAL H 5.000 . 6.000 4.122 4.048 4.196 . 0 0 "[ . 1 . 2]" 2
53 1 88 ILE H 1 90 LYS H 4.000 . 5.000 4.149 4.082 4.244 . 0 0 "[ . 1 . 2]" 2
54 1 89 VAL H 1 91 ALA H 5.000 . 6.000 4.111 4.010 4.199 . 0 0 "[ . 1 . 2]" 2
55 1 91 ALA H 1 93 LEU H 5.000 . 6.000 4.253 4.187 4.335 . 0 0 "[ . 1 . 2]" 2
56 1 90 LYS H 1 92 LEU H 4.000 . 5.000 4.027 3.949 4.160 . 0 0 "[ . 1 . 2]" 2
57 1 92 LEU H 1 94 GLY H 4.000 . 5.000 3.934 3.757 4.033 . 0 0 "[ . 1 . 2]" 2
58 1 93 LEU H 1 95 LYS H 5.000 . 6.000 4.064 4.014 4.136 . 0 0 "[ . 1 . 2]" 2
59 1 95 LYS H 1 97 ALA H 4.000 . 5.000 3.454 3.320 4.674 . 0 0 "[ . 1 . 2]" 2
60 1 99 VAL H 1 101 ALA H 5.000 . 6.000 2.837 2.538 3.207 . 0 0 "[ . 1 . 2]" 2
61 1 105 ASN H 1 107 CYS H 4.000 . 5.000 3.201 3.014 3.318 . 0 0 "[ . 1 . 2]" 2
62 1 108 THR H 1 110 LEU H 5.000 . 6.000 5.352 4.837 5.867 . 0 0 "[ . 1 . 2]" 2
63 1 110 LEU H 1 112 TYR H 5.000 . 6.000 4.145 3.933 4.331 . 0 0 "[ . 1 . 2]" 2
64 1 111 HIS H 1 113 ALA H 4.000 . 5.000 4.203 3.949 4.454 . 0 0 "[ . 1 . 2]" 2
65 1 112 TYR H 1 114 ALA H 5.000 . 6.000 4.029 3.811 4.211 . 0 0 "[ . 1 . 2]" 2
66 1 113 ALA H 1 115 SER H 5.000 . 6.000 4.219 4.008 4.457 . 0 0 "[ . 1 . 2]" 2
67 1 116 LYS H 1 118 ARG H 5.000 . 6.000 4.329 3.304 4.890 . 0 0 "[ . 1 . 2]" 2
68 1 119 HIS H 1 121 ILE H 5.000 . 6.000 4.306 4.184 4.424 . 0 0 "[ . 1 . 2]" 2
69 1 120 GLU H 1 122 ALA H 5.000 . 6.000 4.076 3.919 4.155 . 0 0 "[ . 1 . 2]" 2
70 1 125 LEU H 1 127 GLU H 4.000 . 5.000 4.220 4.039 4.438 . 0 0 "[ . 1 . 2]" 2
71 1 126 LEU H 1 128 GLY H 4.000 . 5.000 4.097 3.917 4.293 . 0 0 "[ . 1 . 2]" 2
72 1 127 GLU H 1 129 GLY H 4.000 . 5.000 4.212 4.126 4.289 . 0 0 "[ . 1 . 2]" 2
73 1 128 GLY H 1 130 ALA H 3.000 . 3.700 3.566 3.422 3.844 0.144 1 0 "[ . 1 . 2]" 2
74 1 137 HIS H 1 139 GLU H 5.000 . 6.000 3.937 3.808 4.013 . 0 0 "[ . 1 . 2]" 2
75 1 138 TYR H 1 140 ALA H 3.000 . 3.700 3.701 3.627 3.805 0.105 8 0 "[ . 1 . 2]" 2
76 1 143 MET H 1 145 ARG H 5.000 . 6.000 4.093 3.994 4.444 . 0 0 "[ . 1 . 2]" 2
77 1 144 HIS H 1 146 ALA H 5.000 . 6.000 4.334 4.200 4.460 . 0 0 "[ . 1 . 2]" 2
78 1 145 ARG H 1 147 ALA H 5.000 . 6.000 4.219 4.166 4.311 . 0 0 "[ . 1 . 2]" 2
79 1 146 ALA H 1 148 ALA H 5.000 . 6.000 4.001 3.918 4.133 . 0 0 "[ . 1 . 2]" 2
80 1 147 ALA H 1 149 LYS H 5.000 . 6.000 4.093 3.994 4.162 . 0 0 "[ . 1 . 2]" 2
81 1 149 LYS H 1 151 ASN H 5.000 . 6.000 5.723 4.974 6.012 0.012 18 0 "[ . 1 . 2]" 2
82 1 152 LEU H 1 154 MET H 5.000 . 6.000 4.370 4.193 4.659 . 0 0 "[ . 1 . 2]" 2
83 1 157 ILE H 1 159 LEU H 5.000 . 6.000 4.129 3.992 4.236 . 0 0 "[ . 1 . 2]" 2
84 1 159 LEU H 1 161 TYR H 5.000 . 6.000 4.069 3.916 4.247 . 0 0 "[ . 1 . 2]" 2
85 1 160 TYR H 1 162 LYS H 5.000 . 6.000 3.843 3.681 4.148 . 0 0 "[ . 1 . 2]" 2
86 1 161 TYR H 1 163 ALA H 5.000 . 6.000 4.403 3.391 5.013 . 0 0 "[ . 1 . 2]" 2
87 1 165 THR H 1 167 ILE H 5.000 . 6.000 3.303 2.449 4.786 . 0 0 "[ . 1 . 2]" 2
88 1 170 THR H 1 172 GLY H 4.000 . 5.000 4.394 4.022 5.207 0.207 12 0 "[ . 1 . 2]" 2
89 1 174 THR H 1 176 LEU H 5.000 . 6.000 4.668 4.401 5.042 . 0 0 "[ . 1 . 2]" 2
90 1 176 LEU H 1 178 LEU H 5.000 . 6.000 4.205 3.941 4.440 . 0 0 "[ . 1 . 2]" 2
91 1 177 HIS H 1 179 ALA H 5.000 . 6.000 4.131 3.987 4.279 . 0 0 "[ . 1 . 2]" 2
92 1 178 LEU H 1 180 CYS H 5.000 . 6.000 4.195 4.035 4.333 . 0 0 "[ . 1 . 2]" 2
93 1 179 ALA H 1 181 ASP H 4.000 . 5.000 4.176 4.054 4.263 . 0 0 "[ . 1 . 2]" 2
94 1 180 CYS H 1 182 GLU H 5.000 . 6.000 4.002 3.901 4.106 . 0 0 "[ . 1 . 2]" 2
95 1 181 ASP H 1 183 GLU H 5.000 . 6.000 4.196 4.081 4.314 . 0 0 "[ . 1 . 2]" 2
96 1 182 GLU H 1 184 ARG H 5.000 . 6.000 3.694 3.513 4.398 . 0 0 "[ . 1 . 2]" 2
97 1 185 VAL H 1 187 GLU H 5.000 . 6.000 4.352 4.010 4.759 . 0 0 "[ . 1 . 2]" 2
98 1 186 GLU H 1 188 ALA H 4.000 . 5.000 4.229 3.928 4.466 . 0 0 "[ . 1 . 2]" 2
99 1 187 GLU H 1 189 LYS H 5.000 . 6.000 4.116 3.734 4.265 . 0 0 "[ . 1 . 2]" 2
100 1 188 ALA H 1 190 LEU H 5.000 . 6.000 4.231 4.017 4.459 . 0 0 "[ . 1 . 2]" 2
101 1 191 LEU H 1 193 SER H 5.000 . 6.000 4.034 3.935 4.191 . 0 0 "[ . 1 . 2]" 2
102 1 192 VAL H 1 194 GLN H 5.000 . 6.000 3.986 3.827 4.157 . 0 0 "[ . 1 . 2]" 2
103 1 193 SER H 1 195 GLY H 4.000 . 5.000 4.238 3.950 4.492 . 0 0 "[ . 1 . 2]" 2
104 1 194 GLN H 1 196 ALA H 3.000 . 3.700 3.650 3.165 3.783 0.083 3 0 "[ . 1 . 2]" 2
105 1 198 ILE H 1 200 ILE H 5.000 . 6.000 4.283 3.574 5.749 . 0 0 "[ . 1 . 2]" 2
106 1 202 ASN H 1 204 GLU H 4.000 . 5.000 3.939 3.122 4.358 . 0 0 "[ . 1 . 2]" 2
107 1 203 LYS H 1 205 GLU H 4.000 . 5.000 4.149 3.576 4.883 . 0 0 "[ . 1 . 2]" 2
108 1 204 GLU H 1 206 LYS H 4.000 . 5.000 3.064 2.522 3.399 . 0 0 "[ . 1 . 2]" 2
109 1 207 THR H 1 209 LEU H 4.000 . 5.000 4.886 4.462 5.053 0.053 17 0 "[ . 1 . 2]" 2
110 1 209 LEU H 1 211 VAL H 4.000 . 5.000 3.939 3.729 4.127 . 0 0 "[ . 1 . 2]" 2
111 1 210 GLN H 1 212 ALA H 4.000 . 5.000 3.779 3.590 3.852 . 0 0 "[ . 1 . 2]" 2
112 1 211 VAL H 1 213 LYS H 5.000 . 6.000 4.453 3.892 4.585 . 0 0 "[ . 1 . 2]" 2
113 1 216 LEU H 1 218 LEU H 4.000 . 5.000 4.347 3.622 4.492 . 0 0 "[ . 1 . 2]" 2
114 1 217 GLY H 1 219 ILE H 4.000 . 5.000 4.353 4.227 4.455 . 0 0 "[ . 1 . 2]" 2
115 1 218 LEU H 1 220 LEU H 4.000 . 5.000 4.276 4.080 4.448 . 0 0 "[ . 1 . 2]" 2
116 1 219 ILE H 1 221 LYS H 4.000 . 5.000 3.918 3.838 4.021 . 0 0 "[ . 1 . 2]" 2
117 1 221 LYS H 1 223 MET H 5.000 . 6.000 4.253 4.190 4.365 . 0 0 "[ . 1 . 2]" 2
118 1 222 ARG H 1 224 VAL H 5.000 . 6.000 4.121 3.966 4.254 . 0 0 "[ . 1 . 2]" 2
119 1 223 MET H 1 225 GLU H 4.000 . 5.000 4.207 4.107 4.399 . 0 0 "[ . 1 . 2]" 2
120 1 224 VAL H 1 226 GLY H 3.000 . 3.700 3.671 3.517 3.742 0.042 17 0 "[ . 1 . 2]" 2
121 1 2 GLU HA 1 4 CYS H 5.000 . 6.000 4.911 3.323 5.941 . 0 0 "[ . 1 . 2]" 2
122 1 15 TYR HA 1 17 GLY H 5.000 . 6.000 3.989 3.913 4.066 . 0 0 "[ . 1 . 2]" 2
123 1 17 GLY HA2 1 19 LEU H 5.000 . 6.000 4.211 3.882 4.693 . 0 0 "[ . 1 . 2]" 2
124 1 17 GLY HA3 1 19 LEU H 5.000 . 6.000 4.599 4.293 4.918 . 0 0 "[ . 1 . 2]" 2
125 1 18 LYS HA 1 20 GLU H 4.000 . 5.000 3.624 3.499 3.717 . 0 0 "[ . 1 . 2]" 2
126 1 19 LEU HA 1 21 GLU H 5.000 . 6.000 4.566 4.500 4.639 . 0 0 "[ . 1 . 2]" 2
127 1 20 GLU HA 1 22 LEU H 5.000 . 6.000 4.191 4.002 4.348 . 0 0 "[ . 1 . 2]" 2
128 1 23 LYS HA 1 25 SER H 4.000 . 5.000 4.293 4.191 4.432 . 0 0 "[ . 1 . 2]" 2
129 1 24 GLU HA 1 26 ILE H 5.000 . 6.000 4.614 4.489 4.680 . 0 0 "[ . 1 . 2]" 2
130 1 27 LEU HA 1 29 ASP H 4.000 . 5.000 4.349 4.246 4.485 . 0 0 "[ . 1 . 2]" 2
131 1 28 ALA HA 1 30 LYS H 5.000 . 6.000 5.665 5.612 5.701 . 0 0 "[ . 1 . 2]" 2
132 1 29 ASP HA 1 31 SER H 4.000 . 5.000 3.789 3.715 3.834 . 0 0 "[ . 1 . 2]" 2
133 1 31 SER HA 1 33 ALA H 4.000 . 5.000 4.053 3.990 4.142 . 0 0 "[ . 1 . 2]" 2
134 1 32 LEU HA 1 34 THR H 4.000 . 5.000 3.780 3.577 3.973 . 0 0 "[ . 1 . 2]" 2
135 1 33 ALA HA 1 35 ARG H 4.000 . 5.000 4.452 4.066 5.017 0.017 2 0 "[ . 1 . 2]" 2
136 1 38 GLN HA 1 40 SER H 4.000 . 5.000 4.158 3.622 4.739 . 0 0 "[ . 1 . 2]" 2
137 1 39 ASP HA 1 41 ARG H 5.000 . 6.000 4.565 4.395 4.764 . 0 0 "[ . 1 . 2]" 2
138 1 42 THR HA 1 44 LEU H 5.000 . 6.000 4.124 4.001 4.207 . 0 0 "[ . 1 . 2]" 2
139 1 45 HIS HA 1 47 ALA H 5.000 . 6.000 4.523 4.372 4.603 . 0 0 "[ . 1 . 2]" 2
140 1 46 TRP HA 1 48 CYS H 5.000 . 6.000 4.513 4.257 4.648 . 0 0 "[ . 1 . 2]" 2
141 1 52 HIS HA 1 54 GLU H 5.000 . 6.000 3.700 3.516 3.922 . 0 0 "[ . 1 . 2]" 2
142 1 58 PHE HA 1 60 LEU H 5.000 . 6.000 4.533 4.279 4.801 . 0 0 "[ . 1 . 2]" 2
143 1 59 LEU HA 1 61 GLN H 5.000 . 6.000 4.392 4.123 4.669 . 0 0 "[ . 1 . 2]" 2
144 1 61 GLN HA 1 63 GLY H 4.000 . 5.000 3.786 3.693 3.894 . 0 0 "[ . 1 . 2]" 2
145 1 62 LEU HA 1 64 VAL H 5.000 . 6.000 4.953 4.825 5.138 . 0 0 "[ . 1 . 2]" 2
146 1 65 PRO HA 1 67 ASN H 3.000 . 3.700 3.723 3.569 3.812 0.112 14 0 "[ . 1 . 2]" 2
147 1 66 VAL HA 1 68 ASP H 4.000 . 5.000 3.738 3.548 4.033 . 0 0 "[ . 1 . 2]" 2
148 1 71 ASP HA 1 73 GLY H 5.000 . 6.000 4.951 4.017 5.786 . 0 0 "[ . 1 . 2]" 2
149 1 88 ILE HA 1 90 LYS H 5.000 . 6.000 4.431 4.325 4.514 . 0 0 "[ . 1 . 2]" 2
150 1 91 ALA HA 1 93 LEU H 5.000 . 6.000 4.434 4.331 4.557 . 0 0 "[ . 1 . 2]" 2
151 1 95 LYS HA 1 97 ALA H 4.000 . 5.000 4.535 4.348 5.152 0.152 15 0 "[ . 1 . 2]" 2
152 1 98 GLN HA 1 100 ASN H 4.000 . 5.000 4.422 4.249 4.538 . 0 0 "[ . 1 . 2]" 2
153 1 99 VAL HA 1 101 ALA H 4.000 . 5.000 4.191 3.849 4.562 . 0 0 "[ . 1 . 2]" 2
154 1 100 ASN HA 1 102 VAL H 5.000 . 6.000 5.893 5.252 6.038 0.038 11 0 "[ . 1 . 2]" 2
155 1 104 GLN HA 1 106 GLY H 3.000 . 3.700 3.707 3.642 3.769 0.069 4 0 "[ . 1 . 2]" 2
156 1 105 ASN HA 1 107 CYS H 4.000 . 5.000 4.658 4.272 4.915 . 0 0 "[ . 1 . 2]" 2
157 1 111 HIS HA 1 113 ALA H 4.000 . 5.000 4.638 4.347 4.822 . 0 0 "[ . 1 . 2]" 2
158 1 118 ARG HA 1 120 GLU H 5.000 . 6.000 3.547 3.473 3.634 . 0 0 "[ . 1 . 2]" 2
159 1 120 GLU HA 1 122 ALA H 5.000 . 6.000 4.355 4.273 4.567 . 0 0 "[ . 1 . 2]" 2
160 1 123 VAL HA 1 125 LEU H 5.000 . 6.000 4.337 4.153 4.642 . 0 0 "[ . 1 . 2]" 2
161 1 125 LEU HA 1 127 GLU H 5.000 . 6.000 4.314 4.120 4.510 . 0 0 "[ . 1 . 2]" 2
162 1 126 LEU HA 1 128 GLY H 4.000 . 5.000 3.961 3.759 4.316 . 0 0 "[ . 1 . 2]" 2
163 1 127 GLU HA 1 129 GLY H 3.000 . 3.700 3.519 3.402 3.784 0.084 1 0 "[ . 1 . 2]" 2
164 1 128 GLY CA 1 130 ALA H 4.000 . 6.000 3.770 3.586 4.477 . 0 0 "[ . 1 . 2]" 2
165 1 131 ASN HA 1 133 ASP H 3.000 . 3.700 3.653 3.523 3.727 0.027 6 0 "[ . 1 . 2]" 2
166 1 138 TYR HA 1 140 ALA H 5.000 . 6.000 4.784 4.538 5.036 . 0 0 "[ . 1 . 2]" 2
167 1 141 THR HA 1 143 MET H 5.000 . 6.000 4.114 3.980 4.214 . 0 0 "[ . 1 . 2]" 2
168 1 157 ILE HA 1 159 LEU H 5.000 . 6.000 4.334 4.152 4.550 . 0 0 "[ . 1 . 2]" 2
169 1 160 TYR HA 1 162 LYS H 4.000 . 5.000 3.679 3.414 3.917 . 0 0 "[ . 1 . 2]" 2
170 1 161 TYR HA 1 163 ALA H 5.000 . 6.000 5.491 4.360 6.077 0.077 15 0 "[ . 1 . 2]" 2
171 1 169 ASP HA 1 171 GLU H 5.000 . 6.000 4.349 4.048 5.439 . 0 0 "[ . 1 . 2]" 2
172 1 170 THR HA 1 172 GLY H 5.000 . 6.000 4.498 4.017 5.563 . 0 0 "[ . 1 . 2]" 2
173 1 174 THR HA 1 176 LEU H 5.000 . 6.000 4.327 4.092 4.581 . 0 0 "[ . 1 . 2]" 2
174 1 178 LEU HA 1 180 CYS H 4.000 . 5.000 4.573 4.426 4.682 . 0 0 "[ . 1 . 2]" 2
175 1 180 CYS HA 1 182 GLU H 5.000 . 6.000 4.124 3.973 4.330 . 0 0 "[ . 1 . 2]" 2
176 1 184 ARG HA 1 186 GLU H 5.000 . 6.000 3.645 3.222 3.873 . 0 0 "[ . 1 . 2]" 2
177 1 186 GLU HA 1 188 ALA H 4.000 . 5.000 4.512 4.404 4.647 . 0 0 "[ . 1 . 2]" 2
178 1 188 ALA HA 1 190 LEU H 5.000 . 6.000 4.426 4.337 4.545 . 0 0 "[ . 1 . 2]" 2
179 1 189 LYS HA 1 191 LEU H 5.000 . 6.000 4.710 4.468 4.840 . 0 0 "[ . 1 . 2]" 2
180 1 191 LEU HA 1 193 SER H 4.000 . 5.000 4.351 4.215 4.633 . 0 0 "[ . 1 . 2]" 2
181 1 192 VAL HA 1 194 GLN H 5.000 . 6.000 3.745 3.592 3.931 . 0 0 "[ . 1 . 2]" 2
182 1 194 GLN HA 1 196 ALA H 5.000 . 6.000 5.280 4.419 5.707 . 0 0 "[ . 1 . 2]" 2
183 1 199 TYR HA 1 201 GLU H 5.000 . 6.000 5.416 5.232 6.086 0.086 16 0 "[ . 1 . 2]" 2
184 1 203 LYS HA 1 205 GLU H 4.000 . 5.000 4.007 3.638 5.057 0.057 5 0 "[ . 1 . 2]" 2
185 1 204 GLU HA 1 206 LYS H 5.000 . 6.000 4.385 4.095 5.118 . 0 0 "[ . 1 . 2]" 2
186 1 207 THR HA 1 209 LEU H 5.000 . 6.000 4.375 4.059 4.683 . 0 0 "[ . 1 . 2]" 2
187 1 209 LEU HA 1 211 VAL H 4.000 . 5.000 4.277 4.172 4.387 . 0 0 "[ . 1 . 2]" 2
188 1 210 GLN HA 1 212 ALA H 4.000 . 5.000 3.931 3.760 4.012 . 0 0 "[ . 1 . 2]" 2
189 1 222 ARG HA 1 224 VAL H 4.000 . 5.000 3.944 3.879 4.027 . 0 0 "[ . 1 . 2]" 2
190 1 224 VAL HA 1 226 GLY H 4.000 . 5.000 5.038 4.861 5.073 0.073 19 0 "[ . 1 . 2]" 2
191 1 10 VAL H 1 13 LEU H 5.000 . 6.000 4.685 4.554 4.822 . 0 0 "[ . 1 . 2]" 2
192 1 11 CYS H 1 14 ALA H 5.000 . 6.000 4.947 4.668 5.159 . 0 0 "[ . 1 . 2]" 2
193 1 12 ASN H 1 15 TYR H 5.000 . 6.000 4.785 4.638 4.909 . 0 0 "[ . 1 . 2]" 2
194 1 18 LYS H 1 21 GLU H 5.000 . 6.000 5.839 5.658 6.002 0.002 13 0 "[ . 1 . 2]" 2
195 1 19 LEU H 1 22 LEU H 5.000 . 6.000 4.703 4.597 4.848 . 0 0 "[ . 1 . 2]" 2
196 1 21 GLU H 1 24 GLU H 5.000 . 6.000 5.022 4.846 5.203 . 0 0 "[ . 1 . 2]" 2
197 1 22 LEU H 1 25 SER H 5.000 . 6.000 4.627 4.515 4.716 . 0 0 "[ . 1 . 2]" 2
198 1 24 GLU H 1 27 LEU H 5.000 . 6.000 4.644 4.569 4.750 . 0 0 "[ . 1 . 2]" 2
199 1 26 ILE H 1 29 ASP H 4.000 . 5.000 4.351 4.229 4.413 . 0 0 "[ . 1 . 2]" 2
200 1 32 LEU H 1 35 ARG H 5.000 . 6.000 4.687 4.500 5.033 . 0 0 "[ . 1 . 2]" 2
201 1 37 ASP H 1 40 SER H 5.000 . 6.000 3.397 2.728 4.040 . 0 0 "[ . 1 . 2]" 2
202 1 42 THR H 1 45 HIS H 3.000 . 3.700 3.470 3.126 3.787 0.087 16 0 "[ . 1 . 2]" 2
203 1 44 LEU H 1 47 ALA H 5.000 . 6.000 4.553 4.474 4.659 . 0 0 "[ . 1 . 2]" 2
204 1 45 HIS H 1 48 CYS H 5.000 . 6.000 4.816 4.710 4.905 . 0 0 "[ . 1 . 2]" 2
205 1 46 TRP H 1 49 SER H 4.000 . 5.000 4.862 4.757 4.972 . 0 0 "[ . 1 . 2]" 2
206 1 47 ALA H 1 50 ALA H 5.000 . 6.000 4.724 4.565 4.907 . 0 0 "[ . 1 . 2]" 2
207 1 48 CYS H 1 51 GLY H 5.000 . 6.000 4.695 4.545 4.908 . 0 0 "[ . 1 . 2]" 2
208 1 54 GLU H 1 57 GLU H 5.000 . 6.000 4.720 4.579 4.892 . 0 0 "[ . 1 . 2]" 2
209 1 55 ILE H 1 58 PHE H 5.000 . 6.000 4.666 4.530 4.833 . 0 0 "[ . 1 . 2]" 2
210 1 56 VAL H 1 59 LEU H 5.000 . 6.000 4.777 4.661 4.892 . 0 0 "[ . 1 . 2]" 2
211 1 58 PHE H 1 61 GLN H 5.000 . 6.000 4.701 4.593 4.840 . 0 0 "[ . 1 . 2]" 2
212 1 59 LEU H 1 62 LEU H 5.000 . 6.000 4.973 4.727 5.210 . 0 0 "[ . 1 . 2]" 2
213 1 60 LEU H 1 63 GLY H 5.000 . 6.000 5.026 4.879 5.104 . 0 0 "[ . 1 . 2]" 2
214 1 61 GLN H 1 64 VAL H 5.000 . 6.000 4.955 4.832 5.112 . 0 0 "[ . 1 . 2]" 2
215 1 75 SER H 1 78 HIS H 4.000 . 5.000 3.653 3.373 3.830 . 0 0 "[ . 1 . 2]" 2
216 1 81 ALA H 1 84 GLY H 5.000 . 6.000 5.142 4.451 5.348 . 0 0 "[ . 1 . 2]" 2
217 1 86 ASP H 1 89 VAL H 5.000 . 6.000 4.743 4.677 4.820 . 0 0 "[ . 1 . 2]" 2
218 1 87 GLU H 1 90 LYS H 5.000 . 6.000 4.751 4.625 4.907 . 0 0 "[ . 1 . 2]" 2
219 1 88 ILE H 1 91 ALA H 5.000 . 6.000 4.658 4.555 4.839 . 0 0 "[ . 1 . 2]" 2
220 1 89 VAL H 1 92 LEU H 5.000 . 6.000 4.791 4.681 4.992 . 0 0 "[ . 1 . 2]" 2
221 1 90 LYS H 1 93 LEU H 5.000 . 6.000 4.874 4.755 4.938 . 0 0 "[ . 1 . 2]" 2
222 1 91 ALA H 1 94 GLY H 4.000 . 5.000 4.910 4.778 5.006 0.006 20 0 "[ . 1 . 2]" 2
223 1 92 LEU H 1 95 LYS H 4.000 . 5.000 5.051 5.018 5.108 0.108 15 0 "[ . 1 . 2]" 2
224 1 93 LEU H 1 96 GLY H 5.000 . 6.000 5.594 5.103 5.808 . 0 0 "[ . 1 . 2]" 2
225 1 98 GLN H 1 101 ALA H 5.000 . 6.000 6.015 5.842 6.064 0.064 5 0 "[ . 1 . 2]" 2
226 1 103 ASN H 1 106 GLY H 5.000 . 6.000 3.571 3.363 3.788 . 0 0 "[ . 1 . 2]" 2
227 1 108 THR H 1 111 HIS H 4.000 . 5.000 4.159 3.706 4.514 . 0 0 "[ . 1 . 2]" 2
228 1 111 HIS H 1 114 ALA H 5.000 . 6.000 4.682 4.477 4.984 . 0 0 "[ . 1 . 2]" 2
229 1 112 TYR H 1 115 SER H 5.000 . 6.000 4.905 4.717 5.045 . 0 0 "[ . 1 . 2]" 2
230 1 113 ALA H 1 116 LYS H 5.000 . 6.000 4.929 4.729 5.196 . 0 0 "[ . 1 . 2]" 2
231 1 120 GLU H 1 123 VAL H 5.000 . 6.000 4.943 4.813 5.073 . 0 0 "[ . 1 . 2]" 2
232 1 123 VAL H 1 126 LEU H 5.000 . 6.000 4.767 4.579 4.927 . 0 0 "[ . 1 . 2]" 2
233 1 124 MET H 1 127 GLU H 5.000 . 6.000 5.065 4.911 5.199 . 0 0 "[ . 1 . 2]" 2
234 1 125 LEU H 1 128 GLY H 5.000 . 6.000 5.095 4.834 5.285 . 0 0 "[ . 1 . 2]" 2
235 1 126 LEU H 1 129 GLY H 5.000 . 6.000 5.510 5.138 5.653 . 0 0 "[ . 1 . 2]" 2
236 1 127 GLU H 1 130 ALA H 5.000 . 6.000 4.908 4.766 5.097 . 0 0 "[ . 1 . 2]" 2
237 1 131 ASN H 1 134 ALA H 5.000 . 6.000 5.532 5.332 5.812 . 0 0 "[ . 1 . 2]" 2
238 1 136 ASP H 1 139 GLU H 4.000 . 5.000 3.840 3.018 4.483 . 0 0 "[ . 1 . 2]" 2
239 1 143 MET H 1 146 ALA H 5.000 . 6.000 4.925 4.802 5.014 . 0 0 "[ . 1 . 2]" 2
240 1 145 ARG H 1 148 ALA H 5.000 . 6.000 4.832 4.728 4.953 . 0 0 "[ . 1 . 2]" 2
241 1 157 ILE H 1 160 TYR H 5.000 . 6.000 4.523 4.337 4.947 . 0 0 "[ . 1 . 2]" 2
242 1 160 TYR H 1 163 ALA H 5.000 . 6.000 5.361 5.005 5.969 . 0 0 "[ . 1 . 2]" 2
243 1 174 THR H 1 177 HIS H 3.000 . 3.700 3.349 3.095 3.697 . 0 0 "[ . 1 . 2]" 2
244 1 177 HIS H 1 180 CYS H 5.000 . 6.000 4.714 4.546 4.926 . 0 0 "[ . 1 . 2]" 2
245 1 178 LEU H 1 181 ASP H 5.000 . 6.000 4.774 4.633 4.974 . 0 0 "[ . 1 . 2]" 2
246 1 180 CYS H 1 183 GLU H 5.000 . 6.000 5.409 5.191 5.617 . 0 0 "[ . 1 . 2]" 2
247 1 184 ARG H 1 187 GLU H 5.000 . 6.000 5.694 5.316 5.972 . 0 0 "[ . 1 . 2]" 2
248 1 185 VAL H 1 188 ALA H 5.000 . 6.000 4.977 4.797 5.271 . 0 0 "[ . 1 . 2]" 2
249 1 186 GLU H 1 189 LYS H 5.000 . 6.000 4.699 4.492 4.870 . 0 0 "[ . 1 . 2]" 2
250 1 187 GLU H 1 190 LEU H 5.000 . 6.000 4.924 4.628 5.156 . 0 0 "[ . 1 . 2]" 2
251 1 188 ALA H 1 191 LEU H 5.000 . 6.000 4.805 4.734 4.934 . 0 0 "[ . 1 . 2]" 2
252 1 190 LEU H 1 193 SER H 5.000 . 6.000 4.692 4.554 4.852 . 0 0 "[ . 1 . 2]" 2
253 1 191 LEU H 1 194 GLN H 5.000 . 6.000 5.010 4.775 5.306 . 0 0 "[ . 1 . 2]" 2
254 1 192 VAL H 1 195 GLY H 5.000 . 6.000 4.931 4.478 5.138 . 0 0 "[ . 1 . 2]" 2
255 1 193 SER H 1 196 ALA H 5.000 . 6.000 4.969 4.660 5.196 . 0 0 "[ . 1 . 2]" 2
256 1 203 LYS H 1 206 LYS H 5.000 . 6.000 4.577 4.141 5.296 . 0 0 "[ . 1 . 2]" 2
257 1 207 THR H 1 210 GLN H 4.000 . 5.000 3.703 3.350 3.924 . 0 0 "[ . 1 . 2]" 2
258 1 209 LEU H 1 212 ALA H 5.000 . 6.000 4.475 4.366 4.583 . 0 0 "[ . 1 . 2]" 2
259 1 216 LEU H 1 219 ILE H 5.000 . 6.000 5.480 4.241 5.693 . 0 0 "[ . 1 . 2]" 2
260 1 217 GLY H 1 220 LEU H 5.000 . 6.000 5.189 4.867 5.450 . 0 0 "[ . 1 . 2]" 2
261 1 218 LEU H 1 221 LYS H 4.000 . 5.000 4.654 4.452 4.859 . 0 0 "[ . 1 . 2]" 2
262 1 219 ILE H 1 222 ARG H 5.000 . 6.000 4.837 4.505 5.086 . 0 0 "[ . 1 . 2]" 2
263 1 221 LYS H 1 224 VAL H 5.000 . 6.000 5.155 4.970 5.443 . 0 0 "[ . 1 . 2]" 2
264 1 222 ARG H 1 225 GLU H 5.000 . 6.000 4.900 4.649 5.254 . 0 0 "[ . 1 . 2]" 2
265 1 10 VAL HA 1 13 LEU H 4.000 . 5.000 3.475 3.262 3.729 . 0 0 "[ . 1 . 2]" 2
266 1 12 ASN HA 1 15 TYR H 3.000 . 3.700 3.241 2.943 3.426 . 0 0 "[ . 1 . 2]" 2
267 1 13 LEU HA 1 16 SER H 4.000 . 5.000 3.415 3.315 3.589 . 0 0 "[ . 1 . 2]" 2
268 1 18 LYS HA 1 21 GLU H 4.000 . 5.000 3.926 3.688 4.101 . 0 0 "[ . 1 . 2]" 2
269 1 19 LEU HA 1 22 LEU H 3.000 . 3.700 3.416 3.276 3.685 . 0 0 "[ . 1 . 2]" 2
270 1 20 GLU HA 1 23 LYS H 4.000 . 5.000 3.423 3.172 3.572 . 0 0 "[ . 1 . 2]" 2
271 1 21 GLU HA 1 24 GLU H 3.000 . 3.700 3.647 3.394 3.721 0.021 10 0 "[ . 1 . 2]" 2
272 1 23 LYS HA 1 26 ILE H 4.000 . 5.000 3.695 3.565 3.854 . 0 0 "[ . 1 . 2]" 2
273 1 24 GLU HA 1 27 LEU H 4.000 . 5.000 3.551 3.386 3.736 . 0 0 "[ . 1 . 2]" 2
274 1 25 SER HA 1 28 ALA H 4.000 . 5.000 3.785 3.706 3.866 . 0 0 "[ . 1 . 2]" 2
275 1 26 ILE HA 1 29 ASP H 3.000 . 3.700 3.019 2.945 3.155 . 0 0 "[ . 1 . 2]" 2
276 1 30 LYS HA 1 33 ALA H 4.000 . 5.000 3.762 3.658 3.869 . 0 0 "[ . 1 . 2]" 2
277 1 31 SER HA 1 34 THR H 3.000 . 3.700 3.646 3.506 3.719 0.019 6 0 "[ . 1 . 2]" 2
278 1 32 LEU HA 1 35 ARG H 3.000 . 3.700 3.074 2.842 3.386 . 0 0 "[ . 1 . 2]" 2
279 1 42 THR HA 1 45 HIS H 5.000 . 6.000 4.676 4.599 4.775 . 0 0 "[ . 1 . 2]" 2
280 1 43 ALA HA 1 46 TRP H 4.000 . 5.000 3.158 3.022 3.472 . 0 0 "[ . 1 . 2]" 2
281 1 44 LEU HA 1 47 ALA H 4.000 . 5.000 3.356 3.198 3.574 . 0 0 "[ . 1 . 2]" 2
282 1 45 HIS HA 1 48 CYS H 4.000 . 5.000 3.764 3.674 3.886 . 0 0 "[ . 1 . 2]" 2
283 1 46 TRP HA 1 49 SER H 4.000 . 5.000 3.622 3.402 3.809 . 0 0 "[ . 1 . 2]" 2
284 1 47 ALA HA 1 50 ALA H 3.000 . 3.700 3.411 3.267 3.530 . 0 0 "[ . 1 . 2]" 2
285 1 48 CYS HA 1 51 GLY H 4.000 . 5.000 3.554 3.290 3.919 . 0 0 "[ . 1 . 2]" 2
286 1 52 HIS HA 1 55 ILE H 4.000 . 5.000 4.260 4.008 4.456 . 0 0 "[ . 1 . 2]" 2
287 1 53 THR HA 1 56 VAL H 4.000 . 5.000 3.478 3.194 3.653 . 0 0 "[ . 1 . 2]" 2
288 1 54 GLU HA 1 57 GLU H 4.000 . 5.000 3.646 3.425 3.764 . 0 0 "[ . 1 . 2]" 2
289 1 55 ILE HA 1 58 PHE H 4.000 . 5.000 3.578 3.396 3.834 . 0 0 "[ . 1 . 2]" 2
290 1 57 GLU HA 1 60 LEU H 4.000 . 5.000 3.454 3.347 3.637 . 0 0 "[ . 1 . 2]" 2
291 1 58 PHE HA 1 61 GLN H 4.000 . 5.000 3.598 3.338 3.910 . 0 0 "[ . 1 . 2]" 2
292 1 59 LEU HA 1 62 LEU H 4.000 . 5.000 3.670 3.557 3.858 . 0 0 "[ . 1 . 2]" 2
293 1 78 HIS HA 1 81 ALA H 4.000 . 5.000 3.986 3.407 4.204 . 0 0 "[ . 1 . 2]" 2
294 1 81 ALA HA 1 84 GLY H 4.000 . 5.000 3.493 3.203 4.096 . 0 0 "[ . 1 . 2]" 2
295 1 87 GLU HA 1 90 LYS H 4.000 . 5.000 3.786 3.708 3.846 . 0 0 "[ . 1 . 2]" 2
296 1 88 ILE HA 1 91 ALA H 4.000 . 5.000 3.612 3.459 3.742 . 0 0 "[ . 1 . 2]" 2
297 1 89 VAL HA 1 92 LEU H 4.000 . 5.000 3.643 3.573 3.819 . 0 0 "[ . 1 . 2]" 2
298 1 91 ALA HA 1 94 GLY H 5.000 . 6.000 3.620 3.425 3.729 . 0 0 "[ . 1 . 2]" 2
299 1 92 LEU HA 1 95 LYS H 4.000 . 5.000 3.607 3.505 3.712 . 0 0 "[ . 1 . 2]" 2
300 1 93 LEU HA 1 96 GLY H 4.000 . 5.000 3.827 3.153 4.036 . 0 0 "[ . 1 . 2]" 2
301 1 108 THR HA 1 111 HIS H 5.000 . 6.000 4.739 4.653 4.872 . 0 0 "[ . 1 . 2]" 2
302 1 110 LEU HA 1 113 ALA H 4.000 . 5.000 3.477 3.253 3.659 . 0 0 "[ . 1 . 2]" 2
303 1 111 HIS HA 1 114 ALA H 4.000 . 5.000 3.717 3.416 4.024 . 0 0 "[ . 1 . 2]" 2
304 1 119 HIS HA 1 122 ALA H 4.000 . 5.000 3.513 3.368 3.681 . 0 0 "[ . 1 . 2]" 2
305 1 120 GLU HA 1 123 VAL H 4.000 . 5.000 3.648 3.465 3.861 . 0 0 "[ . 1 . 2]" 2
306 1 121 ILE HA 1 124 MET H 4.000 . 5.000 3.531 3.281 3.756 . 0 0 "[ . 1 . 2]" 2
307 1 123 VAL HA 1 126 LEU H 4.000 . 5.000 3.472 3.301 3.669 . 0 0 "[ . 1 . 2]" 2
308 1 124 MET HA 1 127 GLU H 4.000 . 5.000 3.756 3.549 4.009 . 0 0 "[ . 1 . 2]" 2
309 1 131 ASN HA 1 134 ALA H 4.000 . 5.000 4.242 4.118 4.361 . 0 0 "[ . 1 . 2]" 2
310 1 142 ALA HA 1 145 ARG H 4.000 . 5.000 3.347 3.281 3.563 . 0 0 "[ . 1 . 2]" 2
311 1 146 ALA HA 1 149 LYS H 4.000 . 5.000 3.266 3.151 3.368 . 0 0 "[ . 1 . 2]" 2
312 1 151 ASN HA 1 154 MET H 4.000 . 5.000 4.578 4.079 5.029 0.029 14 0 "[ . 1 . 2]" 2
313 1 155 ILE HA 1 158 LEU H 5.000 . 6.000 3.733 3.484 3.994 . 0 0 "[ . 1 . 2]" 2
314 1 157 ILE HA 1 160 TYR H 4.000 . 5.000 3.218 3.119 3.485 . 0 0 "[ . 1 . 2]" 2
315 1 159 LEU HA 1 162 LYS H 4.000 . 5.000 3.455 3.195 3.934 . 0 0 "[ . 1 . 2]" 2
316 1 177 HIS HA 1 180 CYS H 4.000 . 5.000 3.742 3.580 3.988 . 0 0 "[ . 1 . 2]" 2
317 1 178 LEU HA 1 181 ASP H 4.000 . 5.000 3.681 3.532 3.853 . 0 0 "[ . 1 . 2]" 2
318 1 179 ALA HA 1 182 GLU H 5.000 . 6.000 3.515 3.443 3.580 . 0 0 "[ . 1 . 2]" 2
319 1 184 ARG HA 1 187 GLU H 4.000 . 5.000 4.244 4.002 4.505 . 0 0 "[ . 1 . 2]" 2
320 1 185 VAL HA 1 188 ALA H 4.000 . 5.000 3.758 3.017 3.975 . 0 0 "[ . 1 . 2]" 2
321 1 186 GLU HA 1 189 LYS H 4.000 . 5.000 3.558 3.389 3.694 . 0 0 "[ . 1 . 2]" 2
322 1 187 GLU HA 1 190 LEU H 4.000 . 5.000 3.732 3.542 3.942 . 0 0 "[ . 1 . 2]" 2
323 1 189 LYS HA 1 192 VAL H 5.000 . 6.000 3.966 3.758 4.167 . 0 0 "[ . 1 . 2]" 2
324 1 191 LEU HA 1 194 GLN H 4.000 . 5.000 3.693 3.509 3.900 . 0 0 "[ . 1 . 2]" 2
325 1 192 VAL HA 1 195 GLY H 4.000 . 5.000 3.410 3.025 3.751 . 0 0 "[ . 1 . 2]" 2
326 1 207 THR HA 1 210 GLN H 5.000 . 6.000 4.890 4.605 5.069 . 0 0 "[ . 1 . 2]" 2
327 1 208 PRO HA 1 211 VAL H 4.000 . 5.000 3.701 3.458 4.073 . 0 0 "[ . 1 . 2]" 2
328 1 209 LEU HA 1 212 ALA H 4.000 . 5.000 3.349 3.189 3.604 . 0 0 "[ . 1 . 2]" 2
329 1 219 ILE HA 1 222 ARG H 4.000 . 5.000 3.618 3.433 3.736 . 0 0 "[ . 1 . 2]" 2
330 1 221 LYS HA 1 224 VAL H 4.000 . 5.000 3.699 3.372 3.923 . 0 0 "[ . 1 . 2]" 2
331 1 222 ARG HA 1 225 GLU H 4.000 . 5.000 3.145 2.981 3.362 . 0 0 "[ . 1 . 2]" 2
332 1 10 VAL HA 1 13 LEU HB2 3.000 . 3.700 2.366 2.241 2.555 . 0 0 "[ . 1 . 2]" 2
333 1 10 VAL HA 1 13 LEU HB3 3.000 . 3.700 3.715 3.216 3.763 0.063 7 0 "[ . 1 . 2]" 2
334 1 11 CYS HA 1 14 ALA CB 3.000 . 4.700 4.251 3.712 4.641 . 0 0 "[ . 1 . 2]" 2
335 1 20 GLU HA 1 23 LYS CB 3.000 . 4.700 3.736 3.290 4.082 . 0 0 "[ . 1 . 2]" 2
336 1 23 LYS HA 1 26 ILE HB 5.000 . 6.000 3.366 3.020 3.925 . 0 0 "[ . 1 . 2]" 2
337 1 24 GLU HA 1 27 LEU HB3 4.000 . 5.000 3.675 3.360 4.064 . 0 0 "[ . 1 . 2]" 2
338 1 24 GLU HA 1 27 LEU HB2 4.000 . 5.000 2.333 2.105 2.576 . 0 0 "[ . 1 . 2]" 2
339 1 25 SER HA 1 28 ALA CB 3.000 . 4.700 4.127 3.989 4.234 . 0 0 "[ . 1 . 2]" 2
340 1 44 LEU HA 1 47 ALA CB 3.000 . 4.700 3.521 3.247 3.745 . 0 0 "[ . 1 . 2]" 2
341 1 53 THR HA 1 56 VAL HB 4.000 . 5.000 3.943 2.522 4.556 . 0 0 "[ . 1 . 2]" 2
342 1 57 GLU HA 1 60 LEU CB 5.000 . 7.000 3.455 3.184 3.873 . 0 0 "[ . 1 . 2]" 2
343 1 58 PHE HA 1 61 GLN HB2 5.000 . 6.000 4.299 4.007 4.592 . 0 0 "[ . 1 . 2]" 2
344 1 58 PHE HA 1 61 GLN HB3 5.000 . 6.000 3.006 2.566 3.643 . 0 0 "[ . 1 . 2]" 2
345 1 59 LEU HA 1 62 LEU HB3 5.000 . 6.000 4.763 4.241 5.258 . 0 0 "[ . 1 . 2]" 2
346 1 59 LEU HA 1 62 LEU HB2 5.000 . 6.000 3.162 2.722 3.540 . 0 0 "[ . 1 . 2]" 2
347 1 80 ALA HA 1 83 ALA CB 4.000 . 6.000 5.272 3.725 5.614 . 0 0 "[ . 1 . 2]" 2
348 1 86 ASP HA 1 89 VAL HB 4.000 . 5.000 3.539 2.608 4.514 . 0 0 "[ . 1 . 2]" 2
349 1 88 ILE HA 1 91 ALA CB 3.000 . 4.700 3.413 3.204 3.561 . 0 0 "[ . 1 . 2]" 2
350 1 119 HIS HA 1 122 ALA CB 3.000 . 4.700 3.636 3.359 3.968 . 0 0 "[ . 1 . 2]" 2
351 1 120 GLU HA 1 123 VAL HB 4.000 . 5.000 3.066 2.733 3.518 . 0 0 "[ . 1 . 2]" 2
352 1 122 ALA HA 1 125 LEU CB 4.000 . 6.000 3.890 3.391 4.547 . 0 0 "[ . 1 . 2]" 2
353 1 145 ARG HA 1 148 ALA CB 3.000 . 4.700 4.028 3.871 4.207 . 0 0 "[ . 1 . 2]" 2
354 1 153 LYS HA 1 156 HIS HB2 4.000 . 5.000 2.709 2.435 2.902 . 0 0 "[ . 1 . 2]" 2
355 1 153 LYS HA 1 156 HIS HB3 4.000 . 5.000 4.292 3.850 4.520 . 0 0 "[ . 1 . 2]" 2
356 1 178 LEU HA 1 181 ASP HB2 4.000 . 5.000 2.985 2.455 3.558 . 0 0 "[ . 1 . 2]" 2
357 1 178 LEU HA 1 181 ASP HB3 4.000 . 5.000 3.440 2.658 4.074 . 0 0 "[ . 1 . 2]" 2
358 1 185 VAL HA 1 188 ALA CB 3.000 . 4.700 4.055 3.091 4.527 . 0 0 "[ . 1 . 2]" 2
359 1 189 LYS HA 1 192 VAL HB 5.000 . 6.000 3.538 3.265 4.182 . 0 0 "[ . 1 . 2]" 2
360 1 208 PRO HA 1 211 VAL HB 5.000 . 6.000 3.837 3.324 4.479 . 0 0 "[ . 1 . 2]" 2
361 1 216 LEU HA 1 219 ILE HB 4.000 . 5.000 3.971 3.609 4.234 . 0 0 "[ . 1 . 2]" 2
362 1 13 LEU H 1 17 GLY H 5.000 . 6.000 6.114 6.082 6.146 0.146 10 0 "[ . 1 . 2]" 2
363 1 18 LYS H 1 22 LEU H 5.000 . 6.000 5.790 5.288 6.019 0.019 20 0 "[ . 1 . 2]" 2
364 1 25 SER H 1 29 ASP H 5.000 . 6.000 5.703 5.557 5.775 . 0 0 "[ . 1 . 2]" 2
365 1 37 ASP H 1 41 ARG H 3.000 . 3.700 3.001 2.405 3.743 0.043 15 0 "[ . 1 . 2]" 2
366 1 42 THR H 1 46 TRP H 5.000 . 6.000 4.648 4.059 5.575 . 0 0 "[ . 1 . 2]" 2
367 1 47 ALA H 1 51 GLY H 5.000 . 6.000 5.928 5.744 6.054 0.054 20 0 "[ . 1 . 2]" 2
368 1 60 LEU H 1 64 VAL H 5.000 . 6.000 4.849 4.563 5.045 . 0 0 "[ . 1 . 2]" 2
369 1 70 ASP H 1 74 TRP H 3.000 . 3.700 3.791 3.401 3.851 0.151 14 0 "[ . 1 . 2]" 2
370 1 93 LEU H 1 97 ALA H 5.000 . 6.000 5.147 4.757 6.022 0.022 15 0 "[ . 1 . 2]" 2
371 1 103 ASN H 1 107 CYS H 3.000 . 3.700 2.982 2.409 3.729 0.029 1 0 "[ . 1 . 2]" 2
372 1 108 THR H 1 112 TYR H 5.000 . 6.000 5.190 4.761 5.667 . 0 0 "[ . 1 . 2]" 2
373 1 126 LEU H 1 130 ALA H 5.000 . 6.000 5.121 4.853 5.341 . 0 0 "[ . 1 . 2]" 2
374 1 136 ASP H 1 140 ALA H 3.000 . 3.700 2.929 2.203 3.716 0.016 18 0 "[ . 1 . 2]" 2
375 1 159 LEU H 1 163 ALA H 5.000 . 6.000 5.112 4.716 5.968 . 0 0 "[ . 1 . 2]" 2
376 1 169 ASP H 1 173 ASN H 3.000 . 3.700 2.290 1.829 3.204 . 0 0 "[ . 1 . 2]" 2
377 1 174 THR H 1 178 LEU H 5.000 . 6.000 4.143 3.834 4.903 . 0 0 "[ . 1 . 2]" 2
378 1 192 VAL H 1 196 ALA H 5.000 . 6.000 4.876 4.458 5.170 . 0 0 "[ . 1 . 2]" 2
379 1 202 ASN H 1 206 LYS H 3.000 . 3.700 2.109 1.807 2.921 . 0 0 "[ . 1 . 2]" 2
380 1 207 THR H 1 211 VAL H 5.000 . 6.000 4.351 3.864 4.702 . 0 0 "[ . 1 . 2]" 2
381 1 213 LYS H 1 217 GLY H 5.000 . 6.000 3.637 3.244 5.420 . 0 0 "[ . 1 . 2]" 2
382 1 14 ALA HA 1 18 LYS H 4.000 . 5.000 3.991 3.152 4.616 . 0 0 "[ . 1 . 2]" 2
383 1 18 LYS HA 1 22 LEU H 5.000 . 6.000 5.009 4.826 5.253 . 0 0 "[ . 1 . 2]" 2
384 1 20 GLU HA 1 24 GLU H 5.000 . 6.000 4.274 3.860 4.686 . 0 0 "[ . 1 . 2]" 2
385 1 23 LYS HA 1 27 LEU H 5.000 . 6.000 3.865 3.516 4.230 . 0 0 "[ . 1 . 2]" 2
386 1 24 GLU HA 1 28 ALA H 4.000 . 5.000 3.740 3.494 3.877 . 0 0 "[ . 1 . 2]" 2
387 1 26 ILE HA 1 30 LYS H 4.000 . 5.000 4.963 4.771 5.016 0.016 12 0 "[ . 1 . 2]" 2
388 1 43 ALA HA 1 47 ALA H 4.000 . 5.000 3.864 3.693 4.140 . 0 0 "[ . 1 . 2]" 2
389 1 46 TRP HA 1 50 ALA H 5.000 . 6.000 4.335 4.105 4.629 . 0 0 "[ . 1 . 2]" 2
390 1 48 CYS HA 1 52 HIS H 5.000 . 6.000 4.780 3.669 5.888 . 0 0 "[ . 1 . 2]" 2
391 1 56 VAL HA 1 60 LEU H 5.000 . 6.000 3.979 3.703 4.488 . 0 0 "[ . 1 . 2]" 2
392 1 57 GLU HA 1 61 GLN H 5.000 . 6.000 3.961 3.540 4.516 . 0 0 "[ . 1 . 2]" 2
393 1 58 PHE HA 1 62 LEU H 5.000 . 6.000 4.414 4.019 4.784 . 0 0 "[ . 1 . 2]" 2
394 1 59 LEU HA 1 63 GLY H 4.000 . 5.000 4.992 4.716 5.040 0.040 1 0 "[ . 1 . 2]" 2
395 1 81 ALA HA 1 85 ARG H 5.000 . 6.000 3.572 2.638 5.595 . 0 0 "[ . 1 . 2]" 2
396 1 87 GLU HA 1 91 ALA H 5.000 . 6.000 3.884 3.671 4.154 . 0 0 "[ . 1 . 2]" 2
397 1 90 LYS HA 1 94 GLY H 4.000 . 5.000 4.410 4.200 4.608 . 0 0 "[ . 1 . 2]" 2
398 1 93 LEU HA 1 97 ALA H 3.000 . 3.700 3.070 2.767 3.834 0.134 15 0 "[ . 1 . 2]" 2
399 1 102 VAL HA 1 106 GLY H 5.000 . 6.000 4.395 3.949 5.039 . 0 0 "[ . 1 . 2]" 2
400 1 103 ASN HA 1 107 CYS H 5.000 . 6.000 5.083 4.304 5.966 . 0 0 "[ . 1 . 2]" 2
401 1 118 ARG HA 1 122 ALA H 5.000 . 6.000 5.038 4.586 5.312 . 0 0 "[ . 1 . 2]" 2
402 1 119 HIS HA 1 123 VAL H 5.000 . 6.000 4.320 4.014 4.577 . 0 0 "[ . 1 . 2]" 2
403 1 123 VAL HA 1 127 GLU H 5.000 . 6.000 4.442 3.943 4.722 . 0 0 "[ . 1 . 2]" 2
404 1 124 MET HA 1 128 GLY H 5.000 . 6.000 5.110 4.657 5.408 . 0 0 "[ . 1 . 2]" 2
405 1 157 ILE HA 1 161 TYR H 4.000 . 5.000 4.049 3.676 4.539 . 0 0 "[ . 1 . 2]" 2
406 1 169 ASP HA 1 173 ASN H 5.000 . 6.000 4.786 4.209 5.449 . 0 0 "[ . 1 . 2]" 2
407 1 180 CYS HA 1 184 ARG H 4.000 . 5.000 3.613 3.007 4.075 . 0 0 "[ . 1 . 2]" 2
408 1 186 GLU HA 1 190 LEU H 5.000 . 6.000 4.178 3.686 4.534 . 0 0 "[ . 1 . 2]" 2
409 1 189 LYS HA 1 193 SER H 5.000 . 6.000 4.239 3.866 4.420 . 0 0 "[ . 1 . 2]" 2
410 1 192 VAL HA 1 196 ALA H 2.500 . 2.700 2.586 2.187 2.800 0.100 11 0 "[ . 1 . 2]" 2
411 1 202 ASN HA 1 206 LYS H 5.000 . 6.000 4.540 4.234 5.306 . 0 0 "[ . 1 . 2]" 2
412 1 207 THR HA 1 211 VAL H 5.000 . 6.000 5.230 5.009 5.382 . 0 0 "[ . 1 . 2]" 2
413 1 222 ARG HA 1 226 GLY H 3.000 . 3.700 2.563 2.485 2.714 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 300
_Distance_constraint_stats_list.Viol_count 160
_Distance_constraint_stats_list.Viol_total 399.021
_Distance_constraint_stats_list.Viol_max 0.413
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.1247
_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 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 12 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 12 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 4.514 0.254 19 0 "[ . 1 . 2]"
1 30 LYS 4.514 0.254 19 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.049 0.033 6 0 "[ . 1 . 2]"
1 40 SER 0.049 0.033 6 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.059 0.059 14 0 "[ . 1 . 2]"
1 67 ASN 0.059 0.059 14 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.222 0.135 6 0 "[ . 1 . 2]"
1 73 GLY 0.747 0.264 6 0 "[ . 1 . 2]"
1 74 TRP 0.525 0.264 6 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.006 0.006 10 0 "[ . 1 . 2]"
1 84 GLY 0.252 0.090 17 0 "[ . 1 . 2]"
1 85 ARG 0.246 0.090 17 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 3.041 0.247 12 0 "[ . 1 . 2]"
1 96 GLY 3.041 0.247 12 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.095 0.034 20 0 "[ . 1 . 2]"
1 99 VAL 0.095 0.034 20 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLY 4.607 0.318 10 0 "[ . 1 . 2]"
1 130 ALA 4.607 0.318 10 0 "[ . 1 . 2]"
1 131 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 LYS 2.594 0.234 16 0 "[ . 1 . 2]"
1 163 ALA 3.566 0.413 20 0 "[ . 1 . 2]"
1 164 SER 1.647 0.413 20 0 "[ . 1 . 2]"
1 165 THR 0.675 0.209 4 0 "[ . 1 . 2]"
1 166 ASN 0.000 0.000 17 0 "[ . 1 . 2]"
1 167 ILE 0.000 0.000 17 0 "[ . 1 . 2]"
1 168 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 169 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 170 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 GLU 0.091 0.059 6 0 "[ . 1 . 2]"
1 172 GLY 0.091 0.059 6 0 "[ . 1 . 2]"
1 173 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 174 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 176 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 178 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 180 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 181 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 182 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 183 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 184 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 185 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 186 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 187 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 188 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 190 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 193 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 194 GLN 0.030 0.030 14 0 "[ . 1 . 2]"
1 195 GLY 0.111 0.082 18 0 "[ . 1 . 2]"
1 196 ALA 0.082 0.082 18 0 "[ . 1 . 2]"
1 197 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 ILE 0.071 0.071 16 0 "[ . 1 . 2]"
1 199 TYR 0.323 0.186 20 0 "[ . 1 . 2]"
1 200 ILE 0.422 0.186 20 0 "[ . 1 . 2]"
1 201 GLU 0.184 0.171 16 0 "[ . 1 . 2]"
1 202 ASN 0.012 0.012 12 0 "[ . 1 . 2]"
1 203 LYS 0.091 0.041 20 0 "[ . 1 . 2]"
1 204 GLU 0.202 0.042 19 0 "[ . 1 . 2]"
1 205 GLU 0.579 0.179 4 0 "[ . 1 . 2]"
1 206 LYS 0.468 0.179 4 0 "[ . 1 . 2]"
1 207 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 208 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 209 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 210 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 211 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 212 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 216 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 217 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 218 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 219 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 220 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 221 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 222 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 223 MET 0.227 0.057 16 0 "[ . 1 . 2]"
1 224 VAL 0.227 0.057 16 0 "[ . 1 . 2]"
1 225 GLU 0.741 0.062 18 0 "[ . 1 . 2]"
1 226 GLY 0.741 0.062 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLY H 1 4 CYS H 4.000 . 5.000 3.451 2.317 4.456 . 0 0 "[ . 1 . 2]" 3
2 1 5 VAL H 1 6 SER H 3.000 . 3.700 3.019 2.832 3.689 . 0 0 "[ . 1 . 2]" 3
3 1 6 SER H 1 7 ASN H 4.000 . 5.000 2.563 1.898 4.111 . 0 0 "[ . 1 . 2]" 3
4 1 7 ASN H 1 8 LEU H 4.000 . 5.000 3.811 2.711 4.461 . 0 0 "[ . 1 . 2]" 3
5 1 10 VAL H 1 11 CYS H 5.000 . 6.000 2.690 2.602 2.747 . 0 0 "[ . 1 . 2]" 3
6 1 11 CYS H 1 12 ASN H 3.000 . 3.700 2.643 2.493 2.766 . 0 0 "[ . 1 . 2]" 3
7 1 12 ASN H 1 13 LEU H 3.000 . 3.700 2.588 2.529 2.633 . 0 0 "[ . 1 . 2]" 3
8 1 13 LEU H 1 14 ALA H 3.000 . 3.700 2.794 2.677 2.850 . 0 0 "[ . 1 . 2]" 3
9 1 14 ALA H 1 15 TYR H 3.000 . 3.700 2.516 2.439 2.598 . 0 0 "[ . 1 . 2]" 3
10 1 15 TYR H 1 16 SER H 3.000 . 3.700 2.675 2.625 2.714 . 0 0 "[ . 1 . 2]" 3
11 1 16 SER H 1 17 GLY H 2.500 . 2.900 2.365 2.298 2.434 . 0 0 "[ . 1 . 2]" 3
12 1 17 GLY H 1 18 LYS H 2.500 . 2.900 2.488 2.377 2.739 . 0 0 "[ . 1 . 2]" 3
13 1 18 LYS H 1 19 LEU H 4.000 . 5.000 3.840 3.336 4.154 . 0 0 "[ . 1 . 2]" 3
14 1 19 LEU H 1 20 GLU H 2.500 . 2.900 2.685 2.413 2.900 0.000 12 0 "[ . 1 . 2]" 3
15 1 20 GLU H 1 21 GLU H 3.000 . 3.700 2.748 2.640 2.794 . 0 0 "[ . 1 . 2]" 3
16 1 21 GLU H 1 22 LEU H 2.500 . 2.900 2.593 2.543 2.624 . 0 0 "[ . 1 . 2]" 3
17 1 22 LEU H 1 23 LYS H 2.500 . 2.900 2.544 2.483 2.629 . 0 0 "[ . 1 . 2]" 3
18 1 23 LYS H 1 24 GLU H 2.500 . 2.900 2.752 2.681 2.835 . 0 0 "[ . 1 . 2]" 3
19 1 25 SER H 1 26 ILE H 3.000 . 3.700 2.663 2.605 2.772 . 0 0 "[ . 1 . 2]" 3
20 1 26 ILE H 1 27 LEU H 2.500 . 2.900 2.469 2.406 2.530 . 0 0 "[ . 1 . 2]" 3
21 1 27 LEU H 1 28 ALA H 2.500 . 2.900 2.568 2.540 2.587 . 0 0 "[ . 1 . 2]" 3
22 1 28 ALA H 1 29 ASP H 2.500 . 2.900 2.431 2.408 2.478 . 0 0 "[ . 1 . 2]" 3
23 1 29 ASP H 1 30 LYS H 3.000 . 3.700 3.926 3.880 3.954 0.254 19 0 "[ . 1 . 2]" 3
24 1 30 LYS H 1 31 SER H 2.500 . 2.900 2.600 2.572 2.668 . 0 0 "[ . 1 . 2]" 3
25 1 31 SER H 1 32 LEU H 3.000 . 3.700 2.673 2.610 2.884 . 0 0 "[ . 1 . 2]" 3
26 1 32 LEU H 1 33 ALA H 2.500 . 2.900 2.692 2.657 2.710 . 0 0 "[ . 1 . 2]" 3
27 1 33 ALA H 1 34 THR H 2.500 . 2.900 2.711 2.638 2.751 . 0 0 "[ . 1 . 2]" 3
28 1 34 THR H 1 35 ARG H 2.500 . 2.900 2.039 1.900 2.256 . 0 0 "[ . 1 . 2]" 3
29 1 35 ARG H 1 36 THR H 4.000 . 5.000 4.544 4.449 4.604 . 0 0 "[ . 1 . 2]" 3
30 1 36 THR H 1 37 ASP H 4.000 . 5.000 4.453 3.941 4.543 . 0 0 "[ . 1 . 2]" 3
31 1 37 ASP H 1 38 GLN H 5.000 . 6.000 4.172 2.848 4.439 . 0 0 "[ . 1 . 2]" 3
32 1 38 GLN H 1 39 ASP H 5.000 . 6.000 3.308 1.991 4.115 . 0 0 "[ . 1 . 2]" 3
33 1 39 ASP H 1 40 SER H 2.500 . 2.900 2.594 2.060 2.933 0.033 6 0 "[ . 1 . 2]" 3
34 1 40 SER H 1 41 ARG H 3.000 . 3.700 2.745 2.596 2.997 . 0 0 "[ . 1 . 2]" 3
35 1 41 ARG H 1 42 THR H 5.000 . 6.000 4.401 4.054 4.594 . 0 0 "[ . 1 . 2]" 3
36 1 42 THR H 1 43 ALA H 5.000 . 6.000 4.594 4.507 4.732 . 0 0 "[ . 1 . 2]" 3
37 1 43 ALA H 1 44 LEU H 4.000 . 5.000 2.781 2.644 2.865 . 0 0 "[ . 1 . 2]" 3
38 1 44 LEU H 1 45 HIS H 3.000 . 3.700 2.630 2.556 2.675 . 0 0 "[ . 1 . 2]" 3
39 1 46 TRP H 1 47 ALA H 3.000 . 3.700 2.566 2.531 2.617 . 0 0 "[ . 1 . 2]" 3
40 1 47 ALA H 1 48 CYS H 3.000 . 3.700 2.651 2.595 2.707 . 0 0 "[ . 1 . 2]" 3
41 1 48 CYS H 1 49 SER H 3.000 . 3.700 2.671 2.620 2.725 . 0 0 "[ . 1 . 2]" 3
42 1 49 SER H 1 50 ALA H 3.000 . 3.700 2.553 2.454 2.643 . 0 0 "[ . 1 . 2]" 3
43 1 50 ALA H 1 51 GLY H 2.500 . 2.900 2.510 2.278 2.728 . 0 0 "[ . 1 . 2]" 3
44 1 51 GLY H 1 52 HIS H 2.500 . 2.900 2.428 1.879 2.897 . 0 0 "[ . 1 . 2]" 3
45 1 52 HIS H 1 53 THR H 5.000 . 6.000 4.199 3.882 4.386 . 0 0 "[ . 1 . 2]" 3
46 1 53 THR H 1 54 GLU H 5.000 . 6.000 2.562 2.472 2.885 . 0 0 "[ . 1 . 2]" 3
47 1 54 GLU H 1 55 ILE H 4.000 . 5.000 2.802 2.708 2.866 . 0 0 "[ . 1 . 2]" 3
48 1 55 ILE H 1 56 VAL H 3.000 . 3.700 2.545 2.449 2.579 . 0 0 "[ . 1 . 2]" 3
49 1 56 VAL H 1 57 GLU H 3.000 . 3.700 2.642 2.595 2.708 . 0 0 "[ . 1 . 2]" 3
50 1 57 GLU H 1 58 PHE H 3.000 . 3.700 2.624 2.515 2.729 . 0 0 "[ . 1 . 2]" 3
51 1 58 PHE H 1 59 LEU H 3.000 . 3.700 2.789 2.740 2.840 . 0 0 "[ . 1 . 2]" 3
52 1 59 LEU H 1 60 LEU H 3.000 . 3.700 2.574 2.518 2.685 . 0 0 "[ . 1 . 2]" 3
53 1 60 LEU H 1 61 GLN H 3.000 . 3.700 2.706 2.659 2.752 . 0 0 "[ . 1 . 2]" 3
54 1 61 GLN H 1 62 LEU H 3.000 . 3.700 2.664 2.575 2.725 . 0 0 "[ . 1 . 2]" 3
55 1 62 LEU H 1 63 GLY H 2.500 . 2.900 2.575 2.510 2.641 . 0 0 "[ . 1 . 2]" 3
56 1 63 GLY H 1 64 VAL H 2.500 . 2.900 2.264 2.002 2.708 . 0 0 "[ . 1 . 2]" 3
57 1 66 VAL H 1 67 ASN H 2.500 . 2.900 1.890 1.741 2.156 0.059 14 0 "[ . 1 . 2]" 3
58 1 67 ASN H 1 68 ASP H 2.500 . 2.900 2.399 1.875 2.635 . 0 0 "[ . 1 . 2]" 3
59 1 68 ASP H 1 69 LYS H 4.000 . 5.000 4.504 4.394 4.573 . 0 0 "[ . 1 . 2]" 3
60 1 71 ASP H 1 72 ALA H 2.500 . 2.900 2.677 2.536 2.864 . 0 0 "[ . 1 . 2]" 3
61 1 72 ALA H 1 73 GLY H 2.500 . 2.900 1.997 1.795 3.035 0.135 6 0 "[ . 1 . 2]" 3
62 1 73 GLY H 1 74 TRP H 3.000 . 3.700 3.020 1.536 3.477 0.264 6 0 "[ . 1 . 2]" 3
63 1 77 LEU H 1 78 HIS H 3.000 . 3.700 2.622 2.495 2.776 . 0 0 "[ . 1 . 2]" 3
64 1 79 ILE H 1 80 ALA H 3.000 . 3.700 2.606 2.496 2.725 . 0 0 "[ . 1 . 2]" 3
65 1 80 ALA H 1 81 ALA H 3.000 . 3.700 2.760 2.712 2.878 . 0 0 "[ . 1 . 2]" 3
66 1 81 ALA H 1 82 SER H 3.000 . 3.700 2.587 2.376 2.677 . 0 0 "[ . 1 . 2]" 3
67 1 82 SER H 1 83 ALA H 3.000 . 3.700 3.005 2.391 3.099 . 0 0 "[ . 1 . 2]" 3
68 1 83 ALA H 1 84 GLY H 3.000 . 3.700 2.480 1.794 2.650 0.006 10 0 "[ . 1 . 2]" 3
69 1 84 GLY H 1 85 ARG H 2.500 . 2.900 2.770 1.797 2.990 0.090 17 0 "[ . 1 . 2]" 3
70 1 85 ARG H 1 86 ASP H 5.000 . 6.000 4.033 3.824 4.313 . 0 0 "[ . 1 . 2]" 3
71 1 86 ASP H 1 87 GLU H 3.000 . 3.700 2.819 2.706 2.892 . 0 0 "[ . 1 . 2]" 3
72 1 87 GLU H 1 88 ILE H 3.000 . 3.700 2.723 2.661 2.801 . 0 0 "[ . 1 . 2]" 3
73 1 88 ILE H 1 89 VAL H 3.000 . 3.700 2.586 2.570 2.613 . 0 0 "[ . 1 . 2]" 3
74 1 89 VAL H 1 90 LYS H 3.000 . 3.700 2.701 2.632 2.767 . 0 0 "[ . 1 . 2]" 3
75 1 91 ALA H 1 92 LEU H 3.000 . 3.700 2.888 2.854 2.944 . 0 0 "[ . 1 . 2]" 3
76 1 92 LEU H 1 93 LEU H 3.000 . 3.700 2.232 2.201 2.250 . 0 0 "[ . 1 . 2]" 3
77 1 93 LEU H 1 94 GLY H 2.500 . 2.900 2.706 2.593 2.758 . 0 0 "[ . 1 . 2]" 3
78 1 94 GLY H 1 95 LYS H 2.500 . 2.900 2.753 2.704 2.803 . 0 0 "[ . 1 . 2]" 3
79 1 95 LYS H 1 96 GLY H 3.000 . 3.700 2.659 2.463 2.796 . 0 0 "[ . 1 . 2]" 3
80 1 96 GLY H 1 97 ALA H 3.000 . 3.700 2.558 2.212 3.639 . 0 0 "[ . 1 . 2]" 3
81 1 97 ALA H 1 98 GLN H 4.000 . 5.000 4.618 4.064 4.670 . 0 0 "[ . 1 . 2]" 3
82 1 98 GLN H 1 99 VAL H 4.000 . 5.000 4.520 4.440 4.586 . 0 0 "[ . 1 . 2]" 3
83 1 99 VAL H 1 100 ASN H 2.500 . 2.700 1.924 1.830 2.010 . 0 0 "[ . 1 . 2]" 3
84 1 100 ASN H 1 101 ALA H 2.500 . 2.700 2.452 2.380 2.623 . 0 0 "[ . 1 . 2]" 3
85 1 101 ALA H 1 102 VAL H 4.000 . 5.000 4.562 4.315 4.615 . 0 0 "[ . 1 . 2]" 3
86 1 102 VAL H 1 103 ASN H 5.000 . 6.000 4.475 4.452 4.523 . 0 0 "[ . 1 . 2]" 3
87 1 103 ASN H 1 104 GLN H 4.000 . 5.000 3.252 2.686 4.627 . 0 0 "[ . 1 . 2]" 3
88 1 105 ASN H 1 106 GLY H 3.000 . 3.700 2.470 2.345 2.645 . 0 0 "[ . 1 . 2]" 3
89 1 106 GLY H 1 107 CYS H 3.000 . 3.700 2.702 2.479 2.899 . 0 0 "[ . 1 . 2]" 3
90 1 107 CYS H 1 108 THR H 5.000 . 6.000 3.845 3.637 4.243 . 0 0 "[ . 1 . 2]" 3
91 1 110 LEU H 1 111 HIS H 4.000 . 5.000 2.674 2.548 2.724 . 0 0 "[ . 1 . 2]" 3
92 1 111 HIS H 1 112 TYR H 3.000 . 3.700 2.720 2.652 2.808 . 0 0 "[ . 1 . 2]" 3
93 1 112 TYR H 1 113 ALA H 3.000 . 3.700 2.601 2.510 2.706 . 0 0 "[ . 1 . 2]" 3
94 1 113 ALA H 1 114 ALA H 3.000 . 3.700 2.634 2.546 2.755 . 0 0 "[ . 1 . 2]" 3
95 1 114 ALA H 1 115 SER H 3.000 . 3.700 2.680 2.600 2.788 . 0 0 "[ . 1 . 2]" 3
96 1 115 SER H 1 116 LYS H 4.000 . 5.000 2.588 2.470 2.690 . 0 0 "[ . 1 . 2]" 3
97 1 116 LYS H 1 117 ASN H 4.000 . 5.000 4.008 3.006 4.486 . 0 0 "[ . 1 . 2]" 3
98 1 117 ASN H 1 118 ARG H 4.000 . 5.000 2.601 2.156 3.275 . 0 0 "[ . 1 . 2]" 3
99 1 118 ARG H 1 119 HIS H 4.000 . 5.000 3.791 3.479 3.980 . 0 0 "[ . 1 . 2]" 3
100 1 119 HIS H 1 120 GLU H 3.000 . 3.700 2.746 2.624 2.837 . 0 0 "[ . 1 . 2]" 3
101 1 121 ILE H 1 122 ALA H 3.000 . 3.700 2.589 2.514 2.695 . 0 0 "[ . 1 . 2]" 3
102 1 122 ALA H 1 123 VAL H 3.000 . 3.700 2.696 2.594 2.767 . 0 0 "[ . 1 . 2]" 3
103 1 124 MET H 1 125 LEU H 3.000 . 3.700 2.662 2.512 2.763 . 0 0 "[ . 1 . 2]" 3
104 1 126 LEU H 1 127 GLU H 3.000 . 3.700 2.720 2.666 2.812 . 0 0 "[ . 1 . 2]" 3
105 1 127 GLU H 1 128 GLY H 2.500 . 2.900 2.683 2.519 2.815 . 0 0 "[ . 1 . 2]" 3
106 1 128 GLY H 1 129 GLY H 2.500 . 2.900 2.648 2.370 2.802 . 0 0 "[ . 1 . 2]" 3
107 1 129 GLY H 1 130 ALA H 2.500 . 2.900 2.134 1.960 2.286 . 0 0 "[ . 1 . 2]" 3
108 1 130 ALA H 1 131 ASN H 4.000 . 5.000 4.451 4.210 4.532 . 0 0 "[ . 1 . 2]" 3
109 1 133 ASP H 1 134 ALA H 2.500 . 2.900 2.533 2.451 2.637 . 0 0 "[ . 1 . 2]" 3
110 1 134 ALA H 1 135 LYS H 4.000 . 5.000 4.580 4.526 4.624 . 0 0 "[ . 1 . 2]" 3
111 1 135 LYS H 1 136 ASP H 5.000 . 6.000 4.137 3.763 4.477 . 0 0 "[ . 1 . 2]" 3
112 1 136 ASP H 1 137 HIS H 5.000 . 6.000 4.501 4.345 4.622 . 0 0 "[ . 1 . 2]" 3
113 1 137 HIS H 1 138 TYR H 3.000 . 3.700 2.752 2.629 2.891 . 0 0 "[ . 1 . 2]" 3
114 1 138 TYR H 1 139 GLU H 3.000 . 3.700 2.526 2.223 2.620 . 0 0 "[ . 1 . 2]" 3
115 1 139 GLU H 1 140 ALA H 3.000 . 3.700 2.601 2.543 2.678 . 0 0 "[ . 1 . 2]" 3
116 1 140 ALA H 1 141 THR H 5.000 . 6.000 4.563 4.429 4.618 . 0 0 "[ . 1 . 2]" 3
117 1 141 THR H 1 142 ALA H 5.000 . 6.000 4.470 4.392 4.541 . 0 0 "[ . 1 . 2]" 3
118 1 142 ALA H 1 143 MET H 5.000 . 6.000 2.596 2.561 2.626 . 0 0 "[ . 1 . 2]" 3
119 1 143 MET H 1 144 HIS H 3.000 . 3.700 2.766 2.742 2.782 . 0 0 "[ . 1 . 2]" 3
120 1 144 HIS H 1 145 ARG H 3.000 . 3.700 2.756 2.713 2.925 . 0 0 "[ . 1 . 2]" 3
121 1 145 ARG H 1 146 ALA H 4.000 . 5.000 2.682 2.600 2.828 . 0 0 "[ . 1 . 2]" 3
122 1 147 ALA H 1 148 ALA H 3.000 . 3.700 2.728 2.705 2.766 . 0 0 "[ . 1 . 2]" 3
123 1 148 ALA H 1 149 LYS H 4.000 . 5.000 2.424 2.300 2.551 . 0 0 "[ . 1 . 2]" 3
124 1 151 ASN H 1 152 LEU H 5.000 . 6.000 3.940 3.211 4.395 . 0 0 "[ . 1 . 2]" 3
125 1 152 LEU H 1 153 LYS H 3.000 . 3.700 2.588 2.545 2.751 . 0 0 "[ . 1 . 2]" 3
126 1 156 HIS H 1 157 ILE H 5.000 . 6.000 2.700 2.583 2.776 . 0 0 "[ . 1 . 2]" 3
127 1 157 ILE H 1 158 LEU H 4.000 . 5.000 2.641 2.522 2.731 . 0 0 "[ . 1 . 2]" 3
128 1 158 LEU H 1 159 LEU H 5.000 . 6.000 2.716 2.559 2.812 . 0 0 "[ . 1 . 2]" 3
129 1 159 LEU H 1 160 TYR H 3.000 . 3.700 2.453 2.375 2.632 . 0 0 "[ . 1 . 2]" 3
130 1 160 TYR H 1 161 TYR H 3.000 . 3.700 2.577 2.501 2.661 . 0 0 "[ . 1 . 2]" 3
131 1 161 TYR H 1 162 LYS H 3.000 . 3.700 2.500 2.332 2.634 . 0 0 "[ . 1 . 2]" 3
132 1 162 LYS H 1 163 ALA H 2.500 . 2.900 2.953 2.630 3.134 0.234 16 0 "[ . 1 . 2]" 3
133 1 163 ALA H 1 164 SER H 4.000 . 5.000 4.405 4.017 4.626 . 0 0 "[ . 1 . 2]" 3
134 1 164 SER H 1 165 THR H 5.000 . 6.000 4.204 3.774 4.533 . 0 0 "[ . 1 . 2]" 3
135 1 165 THR H 1 166 ASN H 5.000 . 6.000 3.086 2.122 4.563 . 0 0 "[ . 1 . 2]" 3
136 1 166 ASN H 1 167 ILE H 4.000 . 5.000 2.707 1.800 4.025 0.000 17 0 "[ . 1 . 2]" 3
137 1 167 ILE H 1 168 GLN H 4.000 . 5.000 4.574 4.480 4.632 . 0 0 "[ . 1 . 2]" 3
138 1 168 GLN H 1 169 ASP H 4.000 . 5.000 4.346 4.145 4.415 . 0 0 "[ . 1 . 2]" 3
139 1 169 ASP H 1 170 THR H 5.000 . 6.000 4.578 4.497 4.653 . 0 0 "[ . 1 . 2]" 3
140 1 170 THR H 1 171 GLU H 4.000 . 5.000 2.886 2.499 3.597 . 0 0 "[ . 1 . 2]" 3
141 1 171 GLU H 1 172 GLY H 2.500 . 2.900 2.376 2.054 2.959 0.059 6 0 "[ . 1 . 2]" 3
142 1 173 ASN H 1 174 THR H 4.000 . 5.000 3.925 3.153 4.295 . 0 0 "[ . 1 . 2]" 3
143 1 176 LEU H 1 177 HIS H 3.000 . 3.700 2.502 2.461 2.556 . 0 0 "[ . 1 . 2]" 3
144 1 177 HIS H 1 178 LEU H 3.000 . 3.700 2.769 2.670 2.855 . 0 0 "[ . 1 . 2]" 3
145 1 178 LEU H 1 179 ALA H 3.000 . 3.700 2.605 2.509 2.747 . 0 0 "[ . 1 . 2]" 3
146 1 180 CYS H 1 181 ASP H 3.000 . 3.700 2.684 2.658 2.713 . 0 0 "[ . 1 . 2]" 3
147 1 181 ASP H 1 182 GLU H 3.000 . 3.700 2.740 2.660 2.792 . 0 0 "[ . 1 . 2]" 3
148 1 182 GLU H 1 183 GLU H 2.500 . 2.900 2.751 2.668 2.830 . 0 0 "[ . 1 . 2]" 3
149 1 183 GLU H 1 184 ARG H 2.500 . 2.900 2.726 2.657 2.823 . 0 0 "[ . 1 . 2]" 3
150 1 184 ARG H 1 185 VAL H 4.000 . 5.000 4.081 3.141 4.268 . 0 0 "[ . 1 . 2]" 3
151 1 185 VAL H 1 186 GLU H 4.000 . 5.000 2.618 2.387 2.892 . 0 0 "[ . 1 . 2]" 3
152 1 186 GLU H 1 187 GLU H 4.000 . 5.000 2.760 2.684 2.823 . 0 0 "[ . 1 . 2]" 3
153 1 187 GLU H 1 188 ALA H 3.000 . 3.700 2.705 2.454 2.886 . 0 0 "[ . 1 . 2]" 3
154 1 188 ALA H 1 189 LYS H 3.000 . 3.700 2.568 2.483 2.639 . 0 0 "[ . 1 . 2]" 3
155 1 189 LYS H 1 190 LEU H 3.000 . 3.700 2.736 2.610 2.868 . 0 0 "[ . 1 . 2]" 3
156 1 192 VAL H 1 193 SER H 3.000 . 3.700 2.556 2.461 2.666 . 0 0 "[ . 1 . 2]" 3
157 1 193 SER H 1 194 GLN H 3.000 . 3.700 2.592 2.481 2.701 . 0 0 "[ . 1 . 2]" 3
158 1 194 GLN H 1 195 GLY H 2.500 . 2.900 2.236 1.770 2.532 0.030 14 0 "[ . 1 . 2]" 3
159 1 195 GLY H 1 196 ALA H 2.500 . 2.900 2.079 1.718 2.421 0.082 18 0 "[ . 1 . 2]" 3
160 1 196 ALA H 1 197 SER H 4.000 . 5.000 3.690 2.276 4.590 . 0 0 "[ . 1 . 2]" 3
161 1 197 SER H 1 198 ILE H 5.000 . 6.000 4.306 2.794 4.659 . 0 0 "[ . 1 . 2]" 3
162 1 198 ILE H 1 199 TYR H 3.000 . 3.700 2.402 1.729 3.258 0.071 16 0 "[ . 1 . 2]" 3
163 1 199 TYR H 1 200 ILE H 3.000 . 3.700 2.518 1.871 3.886 0.186 20 0 "[ . 1 . 2]" 3
164 1 200 ILE H 1 201 GLU H 4.000 . 5.000 4.342 4.112 4.407 . 0 0 "[ . 1 . 2]" 3
165 1 201 GLU H 1 202 ASN H 5.000 . 6.000 4.502 4.314 4.640 . 0 0 "[ . 1 . 2]" 3
166 1 202 ASN H 1 203 LYS H 5.000 . 6.000 3.961 3.122 4.358 . 0 0 "[ . 1 . 2]" 3
167 1 203 LYS H 1 204 GLU H 3.000 . 3.700 3.108 2.704 3.741 0.041 20 0 "[ . 1 . 2]" 3
168 1 204 GLU H 1 205 GLU H 2.500 . 2.900 2.698 1.990 2.942 0.042 19 0 "[ . 1 . 2]" 3
169 1 205 GLU H 1 206 LYS H 3.000 . 3.700 2.459 1.621 2.664 0.179 4 0 "[ . 1 . 2]" 3
170 1 206 LYS H 1 207 THR H 4.000 . 5.000 4.420 4.186 4.550 . 0 0 "[ . 1 . 2]" 3
171 1 209 LEU H 1 210 GLN H 3.000 . 3.700 2.703 2.601 2.789 . 0 0 "[ . 1 . 2]" 3
172 1 210 GLN H 1 211 VAL H 3.000 . 3.700 2.641 2.481 2.823 . 0 0 "[ . 1 . 2]" 3
173 1 211 VAL H 1 212 ALA H 2.500 . 2.900 2.255 2.205 2.290 . 0 0 "[ . 1 . 2]" 3
174 1 216 LEU H 1 217 GLY H 3.000 . 3.700 2.784 2.640 3.466 . 0 0 "[ . 1 . 2]" 3
175 1 217 GLY H 1 218 LEU H 3.000 . 3.700 2.634 2.619 2.656 . 0 0 "[ . 1 . 2]" 3
176 1 218 LEU H 1 219 ILE H 3.000 . 3.700 2.719 2.667 2.783 . 0 0 "[ . 1 . 2]" 3
177 1 219 ILE H 1 220 LEU H 3.000 . 3.700 2.643 2.498 2.760 . 0 0 "[ . 1 . 2]" 3
178 1 220 LEU H 1 221 LYS H 3.000 . 3.700 2.479 2.420 2.626 . 0 0 "[ . 1 . 2]" 3
179 1 221 LYS H 1 222 ARG H 3.000 . 3.700 2.688 2.534 2.823 . 0 0 "[ . 1 . 2]" 3
180 1 222 ARG H 1 223 MET H 3.000 . 3.700 2.663 2.562 2.823 . 0 0 "[ . 1 . 2]" 3
181 1 223 MET H 1 224 VAL H 2.500 . 2.700 2.705 2.663 2.757 0.057 16 0 "[ . 1 . 2]" 3
182 1 224 VAL H 1 225 GLU H 3.000 . 3.700 2.485 2.365 2.601 . 0 0 "[ . 1 . 2]" 3
183 1 225 GLU H 1 226 GLY H 2.500 . 2.900 1.766 1.738 1.828 0.062 18 0 "[ . 1 . 2]" 3
184 1 4 CYS HA 1 5 VAL H 3.000 . 3.700 2.498 2.067 2.727 . 0 0 "[ . 1 . 2]" 3
185 1 10 VAL HA 1 11 CYS H 3.000 . 3.700 3.530 3.508 3.556 . 0 0 "[ . 1 . 2]" 3
186 1 11 CYS HA 1 12 ASN H 3.000 . 3.700 3.537 3.499 3.572 . 0 0 "[ . 1 . 2]" 3
187 1 16 SER HA 1 17 GLY H 3.000 . 3.700 3.343 3.325 3.372 . 0 0 "[ . 1 . 2]" 3
188 1 17 GLY HA2 1 18 LYS H 3.000 . 3.700 3.149 2.567 3.374 . 0 0 "[ . 1 . 2]" 3
189 1 17 GLY HA3 1 18 LYS H 3.000 . 3.700 3.383 3.197 3.567 . 0 0 "[ . 1 . 2]" 3
190 1 18 LYS HA 1 19 LEU H 2.500 . 2.700 2.399 2.266 2.527 . 0 0 "[ . 1 . 2]" 3
191 1 19 LEU HA 1 20 GLU H 4.000 . 5.000 3.552 3.517 3.580 . 0 0 "[ . 1 . 2]" 3
192 1 20 GLU HA 1 21 GLU H 3.000 . 3.700 3.548 3.531 3.560 . 0 0 "[ . 1 . 2]" 3
193 1 23 LYS HA 1 24 GLU H 3.000 . 3.700 3.558 3.550 3.564 . 0 0 "[ . 1 . 2]" 3
194 1 26 ILE HA 1 27 LEU H 3.000 . 3.700 3.495 3.471 3.530 . 0 0 "[ . 1 . 2]" 3
195 1 27 LEU HA 1 28 ALA H 3.000 . 3.700 3.511 3.503 3.524 . 0 0 "[ . 1 . 2]" 3
196 1 29 ASP HA 1 30 LYS H 2.500 . 2.700 1.857 1.849 1.865 . 0 0 "[ . 1 . 2]" 3
197 1 30 LYS HA 1 31 SER H 4.000 . 5.000 3.538 3.527 3.547 . 0 0 "[ . 1 . 2]" 3
198 1 31 SER HA 1 32 LEU H 4.000 . 5.000 3.499 3.477 3.582 . 0 0 "[ . 1 . 2]" 3
199 1 33 ALA HA 1 34 THR H 3.000 . 3.700 3.458 3.426 3.494 . 0 0 "[ . 1 . 2]" 3
200 1 34 THR HA 1 35 ARG H 3.000 . 3.700 3.279 3.136 3.514 . 0 0 "[ . 1 . 2]" 3
201 1 35 ARG HA 1 36 THR H 2.500 . 2.700 2.171 2.128 2.233 . 0 0 "[ . 1 . 2]" 3
202 1 36 THR HA 1 37 ASP H 3.000 . 3.700 2.409 2.125 3.325 . 0 0 "[ . 1 . 2]" 3
203 1 39 ASP HA 1 40 SER H 3.000 . 3.700 3.020 2.740 3.331 . 0 0 "[ . 1 . 2]" 3
204 1 41 ARG HA 1 42 THR H 2.500 . 2.700 2.292 2.151 2.470 . 0 0 "[ . 1 . 2]" 3
205 1 44 LEU HA 1 45 HIS H 4.000 . 5.000 3.550 3.537 3.570 . 0 0 "[ . 1 . 2]" 3
206 1 46 TRP HA 1 47 ALA H 3.000 . 3.700 3.534 3.507 3.550 . 0 0 "[ . 1 . 2]" 3
207 1 47 ALA HA 1 48 CYS H 3.000 . 3.700 3.545 3.520 3.558 . 0 0 "[ . 1 . 2]" 3
208 1 48 CYS HA 1 49 SER H 4.000 . 5.000 3.526 3.500 3.545 . 0 0 "[ . 1 . 2]" 3
209 1 50 ALA HA 1 51 GLY H 4.000 . 5.000 3.516 3.444 3.584 . 0 0 "[ . 1 . 2]" 3
210 1 52 HIS HA 1 53 THR H 2.500 . 2.700 2.212 2.162 2.360 . 0 0 "[ . 1 . 2]" 3
211 1 53 THR HA 1 54 GLU H 4.000 . 5.000 3.511 3.482 3.558 . 0 0 "[ . 1 . 2]" 3
212 1 54 GLU HA 1 55 ILE H 4.000 . 5.000 3.538 3.503 3.565 . 0 0 "[ . 1 . 2]" 3
213 1 56 VAL HA 1 57 GLU H 3.000 . 3.700 3.529 3.494 3.562 . 0 0 "[ . 1 . 2]" 3
214 1 58 PHE HA 1 59 LEU H 4.000 . 5.000 3.550 3.533 3.570 . 0 0 "[ . 1 . 2]" 3
215 1 59 LEU HA 1 60 LEU H 4.000 . 5.000 3.523 3.493 3.554 . 0 0 "[ . 1 . 2]" 3
216 1 61 GLN HA 1 62 LEU H 4.000 . 5.000 3.502 3.468 3.525 . 0 0 "[ . 1 . 2]" 3
217 1 65 PRO HA 1 66 VAL H 2.500 . 2.700 2.162 2.122 2.266 . 0 0 "[ . 1 . 2]" 3
218 1 66 VAL HA 1 67 ASN H 4.000 . 5.000 3.420 3.093 3.513 . 0 0 "[ . 1 . 2]" 3
219 1 67 ASN HA 1 68 ASP H 3.000 . 3.700 3.331 3.161 3.387 . 0 0 "[ . 1 . 2]" 3
220 1 68 ASP HA 1 69 LYS H 2.500 . 2.700 2.129 2.105 2.186 . 0 0 "[ . 1 . 2]" 3
221 1 69 LYS HA 1 70 ASP H 3.000 . 3.700 2.210 2.144 2.234 . 0 0 "[ . 1 . 2]" 3
222 1 71 ASP HA 1 72 ALA H 3.000 . 3.700 3.304 3.202 3.491 . 0 0 "[ . 1 . 2]" 3
223 1 72 ALA HA 1 73 GLY H 3.000 . 3.700 3.368 1.953 3.590 . 0 0 "[ . 1 . 2]" 3
224 1 80 ALA HA 1 81 ALA H 3.000 . 3.700 3.554 3.539 3.566 . 0 0 "[ . 1 . 2]" 3
225 1 82 SER HA 1 83 ALA H 3.000 . 3.700 3.606 3.318 3.647 . 0 0 "[ . 1 . 2]" 3
226 1 83 ALA HA 1 84 GLY H 3.000 . 3.700 3.146 3.074 3.579 . 0 0 "[ . 1 . 2]" 3
227 1 84 GLY HA2 1 85 ARG H 4.000 . 5.000 2.856 2.536 3.482 . 0 0 "[ . 1 . 2]" 3
228 1 84 GLY HA3 1 85 ARG H 4.000 . 5.000 3.486 2.915 3.575 . 0 0 "[ . 1 . 2]" 3
229 1 85 ARG HA 1 86 ASP H 2.500 . 2.700 2.224 2.159 2.313 . 0 0 "[ . 1 . 2]" 3
230 1 86 ASP HA 1 87 GLU H 4.000 . 5.000 3.548 3.498 3.572 . 0 0 "[ . 1 . 2]" 3
231 1 87 GLU HA 1 88 ILE H 4.000 . 5.000 3.560 3.540 3.570 . 0 0 "[ . 1 . 2]" 3
232 1 89 VAL HA 1 90 LYS H 4.000 . 5.000 3.534 3.517 3.555 . 0 0 "[ . 1 . 2]" 3
233 1 90 LYS HA 1 91 ALA H 3.000 . 3.700 3.484 3.472 3.494 . 0 0 "[ . 1 . 2]" 3
234 1 91 ALA HA 1 92 LEU H 4.000 . 5.000 3.555 3.542 3.573 . 0 0 "[ . 1 . 2]" 3
235 1 94 GLY HA2 1 95 LYS H 3.000 . 3.700 3.474 3.459 3.500 . 0 0 "[ . 1 . 2]" 3
236 1 94 GLY HA3 1 95 LYS H 3.000 . 3.700 3.019 2.878 3.071 . 0 0 "[ . 1 . 2]" 3
237 1 95 LYS HA 1 96 GLY H 2.500 . 2.900 3.052 2.992 3.147 0.247 12 0 "[ . 1 . 2]" 3
238 1 96 GLY HA2 1 97 ALA H 3.000 . 3.700 2.954 2.887 3.320 . 0 0 "[ . 1 . 2]" 3
239 1 96 GLY HA3 1 97 ALA H 3.000 . 3.700 3.265 2.115 3.346 . 0 0 "[ . 1 . 2]" 3
240 1 98 GLN HA 1 99 VAL H 2.500 . 2.700 2.645 2.479 2.734 0.034 20 0 "[ . 1 . 2]" 3
241 1 99 VAL HA 1 100 ASN H 3.000 . 3.700 3.551 3.518 3.566 . 0 0 "[ . 1 . 2]" 3
242 1 100 ASN HA 1 101 ALA H 3.000 . 3.700 3.173 2.964 3.382 . 0 0 "[ . 1 . 2]" 3
243 1 101 ALA HA 1 102 VAL H 2.500 . 2.700 2.198 2.153 2.227 . 0 0 "[ . 1 . 2]" 3
244 1 102 VAL HA 1 103 ASN H 2.500 . 2.900 2.106 2.054 2.155 . 0 0 "[ . 1 . 2]" 3
245 1 105 ASN HA 1 106 GLY H 3.000 . 3.700 3.032 2.956 3.081 . 0 0 "[ . 1 . 2]" 3
246 1 106 GLY HA3 1 107 CYS H 4.000 . 5.000 3.471 3.412 3.515 . 0 0 "[ . 1 . 2]" 3
247 1 106 GLY HA2 1 107 CYS H 4.000 . 5.000 3.017 2.857 3.153 . 0 0 "[ . 1 . 2]" 3
248 1 107 CYS HA 1 108 THR H 2.500 . 2.700 2.364 2.152 2.468 . 0 0 "[ . 1 . 2]" 3
249 1 111 HIS HA 1 112 TYR H 3.000 . 3.700 3.547 3.505 3.579 . 0 0 "[ . 1 . 2]" 3
250 1 112 TYR HA 1 113 ALA H 4.000 . 5.000 3.530 3.496 3.547 . 0 0 "[ . 1 . 2]" 3
251 1 116 LYS HA 1 117 ASN H 5.000 . 6.000 2.734 2.562 2.970 . 0 0 "[ . 1 . 2]" 3
252 1 117 ASN HA 1 118 ARG H 3.000 . 3.700 3.149 2.587 3.515 . 0 0 "[ . 1 . 2]" 3
253 1 118 ARG HA 1 119 HIS H 2.500 . 2.700 2.416 2.360 2.492 . 0 0 "[ . 1 . 2]" 3
254 1 123 VAL HA 1 124 MET H 4.000 . 5.000 3.542 3.503 3.559 . 0 0 "[ . 1 . 2]" 3
255 1 124 MET HA 1 125 LEU H 4.000 . 5.000 3.520 3.501 3.561 . 0 0 "[ . 1 . 2]" 3
256 1 126 LEU HA 1 127 GLU H 3.000 . 3.700 3.526 3.496 3.554 . 0 0 "[ . 1 . 2]" 3
257 1 127 GLU HA 1 128 GLY H 3.000 . 3.700 3.474 3.385 3.553 . 0 0 "[ . 1 . 2]" 3
258 1 129 GLY HA3 1 130 ALA H 3.000 . 3.700 3.369 3.292 3.520 . 0 0 "[ . 1 . 2]" 3
259 1 129 GLY HA2 1 130 ALA H 2.500 . 2.700 2.930 2.693 3.018 0.318 10 0 "[ . 1 . 2]" 3
260 1 130 ALA HA 1 131 ASN H 2.500 . 2.700 2.146 2.138 2.157 . 0 0 "[ . 1 . 2]" 3
261 1 134 ALA HA 1 135 LYS H 2.500 . 2.700 2.195 2.132 2.298 . 0 0 "[ . 1 . 2]" 3
262 1 136 ASP HA 1 137 HIS H 2.500 . 2.900 2.693 2.572 2.777 . 0 0 "[ . 1 . 2]" 3
263 1 139 GLU HA 1 140 ALA H 3.000 . 3.700 2.869 2.665 2.987 . 0 0 "[ . 1 . 2]" 3
264 1 143 MET HA 1 144 HIS H 4.000 . 5.000 3.543 3.535 3.552 . 0 0 "[ . 1 . 2]" 3
265 1 144 HIS HA 1 145 ARG H 4.000 . 5.000 3.517 3.497 3.571 . 0 0 "[ . 1 . 2]" 3
266 1 148 ALA HA 1 149 LYS H 4.000 . 5.000 3.496 3.462 3.520 . 0 0 "[ . 1 . 2]" 3
267 1 151 ASN HA 1 152 LEU H 2.500 . 2.700 2.307 2.144 2.498 . 0 0 "[ . 1 . 2]" 3
268 1 161 TYR HA 1 162 LYS H 3.000 . 3.700 3.234 3.149 3.291 . 0 0 "[ . 1 . 2]" 3
269 1 162 LYS HA 1 163 ALA H 3.000 . 3.700 2.382 2.043 2.992 . 0 0 "[ . 1 . 2]" 3
270 1 163 ALA HA 1 164 SER H 2.500 . 2.700 2.574 2.210 3.113 0.413 20 0 "[ . 1 . 2]" 3
271 1 164 SER HA 1 165 THR H 2.500 . 2.700 2.436 2.057 2.909 0.209 4 0 "[ . 1 . 2]" 3
272 1 166 ASN HA 1 167 ILE H 3.000 . 3.700 2.895 2.251 3.399 . 0 0 "[ . 1 . 2]" 3
273 1 167 ILE HA 1 168 GLN H 2.500 . 2.700 2.216 2.122 2.345 . 0 0 "[ . 1 . 2]" 3
274 1 168 GLN HA 1 169 ASP H 2.500 . 2.700 2.186 2.143 2.228 . 0 0 "[ . 1 . 2]" 3
275 1 169 ASP HA 1 170 THR H 3.000 . 3.700 2.531 2.365 2.684 . 0 0 "[ . 1 . 2]" 3
276 1 170 THR HA 1 171 GLU H 3.000 . 3.700 3.459 3.361 3.573 . 0 0 "[ . 1 . 2]" 3
277 1 171 GLU HA 1 172 GLY H 3.000 . 3.700 3.433 3.271 3.588 . 0 0 "[ . 1 . 2]" 3
278 1 172 GLY HA2 1 173 ASN H 4.000 . 5.000 2.372 2.129 2.550 . 0 0 "[ . 1 . 2]" 3
279 1 172 GLY HA3 1 173 ASN H 3.000 . 5.700 3.484 3.101 3.574 . 0 0 "[ . 1 . 2]" 3
280 1 173 ASN HA 1 174 THR H 2.500 . 2.700 2.172 2.095 2.297 . 0 0 "[ . 1 . 2]" 3
281 1 180 CYS HA 1 181 ASP H 3.000 . 3.700 3.541 3.531 3.553 . 0 0 "[ . 1 . 2]" 3
282 1 183 GLU HA 1 184 ARG H 3.000 . 3.700 3.008 2.668 3.198 . 0 0 "[ . 1 . 2]" 3
283 1 185 VAL HA 1 186 GLU H 4.000 . 5.000 3.525 3.481 3.559 . 0 0 "[ . 1 . 2]" 3
284 1 187 GLU HA 1 188 ALA H 3.000 . 3.700 3.538 3.504 3.572 . 0 0 "[ . 1 . 2]" 3
285 1 188 ALA HA 1 189 LYS H 4.000 . 5.000 3.522 3.495 3.545 . 0 0 "[ . 1 . 2]" 3
286 1 189 LYS HA 1 190 LEU H 3.000 . 3.700 3.559 3.529 3.598 . 0 0 "[ . 1 . 2]" 3
287 1 193 SER HA 1 194 GLN H 4.000 . 5.000 3.393 3.347 3.491 . 0 0 "[ . 1 . 2]" 3
288 1 200 ILE HA 1 201 GLU H 2.500 . 2.700 2.183 2.131 2.871 0.171 16 0 "[ . 1 . 2]" 3
289 1 201 GLU HA 1 202 ASN H 2.500 . 2.700 2.601 2.306 2.712 0.012 12 0 "[ . 1 . 2]" 3
290 1 203 LYS HA 1 204 GLU H 3.000 . 3.700 3.508 3.095 3.588 . 0 0 "[ . 1 . 2]" 3
291 1 204 GLU HA 1 205 GLU H 3.000 . 3.700 3.029 2.684 3.472 . 0 0 "[ . 1 . 2]" 3
292 1 205 GLU HA 1 206 LYS H 3.000 . 3.700 3.068 2.958 3.298 . 0 0 "[ . 1 . 2]" 3
293 1 206 LYS HA 1 207 THR H 2.500 . 2.700 2.132 2.087 2.201 . 0 0 "[ . 1 . 2]" 3
294 1 208 PRO HA 1 209 LEU H 4.000 . 5.000 3.541 3.494 3.572 . 0 0 "[ . 1 . 2]" 3
295 1 210 GLN HA 1 211 VAL H 3.000 . 3.700 3.505 3.454 3.537 . 0 0 "[ . 1 . 2]" 3
296 1 211 VAL HA 1 212 ALA H 3.000 . 3.700 3.318 3.309 3.327 . 0 0 "[ . 1 . 2]" 3
297 1 217 GLY HA2 1 218 LEU H 3.000 . 3.700 3.495 3.486 3.503 . 0 0 "[ . 1 . 2]" 3
298 1 217 GLY HA3 1 218 LEU H 3.000 . 3.700 2.931 2.921 2.952 . 0 0 "[ . 1 . 2]" 3
299 1 221 LYS HA 1 222 ARG H 3.000 . 3.700 3.540 3.512 3.568 . 0 0 "[ . 1 . 2]" 3
300 1 222 ARG HA 1 223 MET H 3.000 . 3.700 3.542 3.511 3.556 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 839
_Distance_constraint_stats_list.Viol_count 1967
_Distance_constraint_stats_list.Viol_total 3267.314
_Distance_constraint_stats_list.Viol_max 0.811
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0831
_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 2 GLU 0.203 0.032 9 0 "[ . 1 . 2]"
1 4 CYS 1.571 0.128 8 0 "[ . 1 . 2]"
1 5 VAL 2.187 0.229 16 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.580 0.100 4 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.084 0.070 14 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.519 0.069 4 0 "[ . 1 . 2]"
1 16 SER 0.519 0.069 4 0 "[ . 1 . 2]"
1 17 GLY 3.663 0.200 16 0 "[ . 1 . 2]"
1 18 LYS 0.381 0.165 13 0 "[ . 1 . 2]"
1 19 LEU 2.533 0.138 4 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.013 0.013 7 0 "[ . 1 . 2]"
1 22 LEU 0.013 0.013 7 0 "[ . 1 . 2]"
1 23 LYS 0.035 0.010 16 0 "[ . 1 . 2]"
1 24 GLU 0.072 0.052 4 0 "[ . 1 . 2]"
1 25 SER 0.054 0.052 4 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 3.090 0.164 4 0 "[ . 1 . 2]"
1 28 ALA 5.982 0.164 4 0 "[ . 1 . 2]"
1 29 ASP 17.379 0.412 4 0 "[ . 1 . 2]"
1 30 LYS 14.439 0.412 4 0 "[ . 1 . 2]"
1 31 SER 1.802 0.105 15 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.340 0.340 17 0 "[ . 1 . 2]"
1 36 THR 1.519 0.078 5 0 "[ . 1 . 2]"
1 37 ASP 0.831 0.060 10 0 "[ . 1 . 2]"
1 38 GLN 0.097 0.040 13 0 "[ . 1 . 2]"
1 39 ASP 0.043 0.009 19 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.797 0.100 20 0 "[ . 1 . 2]"
1 45 HIS 0.797 0.100 20 0 "[ . 1 . 2]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.428 0.091 4 0 "[ . 1 . 2]"
1 49 SER 0.412 0.091 4 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.705 0.166 4 0 "[ . 1 . 2]"
1 52 HIS 1.057 0.166 4 0 "[ . 1 . 2]"
1 53 THR 0.131 0.018 13 0 "[ . 1 . 2]"
1 54 GLU 0.131 0.018 13 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.882 0.134 14 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 1.670 0.077 15 0 "[ . 1 . 2]"
1 59 LEU 0.643 0.057 9 0 "[ . 1 . 2]"
1 60 LEU 0.172 0.055 9 0 "[ . 1 . 2]"
1 61 GLN 16.100 0.451 13 0 "[ . 1 . 2]"
1 62 LEU 3.797 0.234 1 0 "[ . 1 . 2]"
1 63 GLY 0.112 0.035 16 0 "[ . 1 . 2]"
1 64 VAL 1.379 0.127 3 0 "[ . 1 . 2]"
1 65 PRO 0.411 0.043 15 0 "[ . 1 . 2]"
1 66 VAL 0.579 0.100 8 0 "[ . 1 . 2]"
1 67 ASN 0.041 0.015 15 0 "[ . 1 . 2]"
1 68 ASP 1.369 0.109 8 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TRP 2.908 0.159 1 0 "[ . 1 . 2]"
1 75 SER 0.012 0.012 15 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 1.727 0.107 2 0 "[ . 1 . 2]"
1 84 GLY 3.700 0.195 19 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 1.426 0.081 17 0 "[ . 1 . 2]"
1 87 GLU 0.186 0.053 16 0 "[ . 1 . 2]"
1 88 ILE 0.054 0.054 9 0 "[ . 1 . 2]"
1 89 VAL 0.604 0.065 20 0 "[ . 1 . 2]"
1 90 LYS 0.604 0.065 20 0 "[ . 1 . 2]"
1 91 ALA 1.272 0.068 17 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 1.250 0.077 12 0 "[ . 1 . 2]"
1 95 LYS 2.010 0.214 4 0 "[ . 1 . 2]"
1 96 GLY 0.708 0.110 12 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.215 0.041 8 0 "[ . 1 . 2]"
1 99 VAL 0.612 0.054 16 0 "[ . 1 . 2]"
1 100 ASN 0.138 0.027 8 0 "[ . 1 . 2]"
1 101 ALA 1.046 0.072 20 0 "[ . 1 . 2]"
1 102 VAL 0.072 0.072 20 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 0.803 0.301 7 0 "[ . 1 . 2]"
1 105 ASN 3.081 0.146 10 0 "[ . 1 . 2]"
1 106 GLY 1.997 0.139 18 0 "[ . 1 . 2]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 TYR 2.291 0.120 10 0 "[ . 1 . 2]"
1 113 ALA 0.005 0.005 12 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.002 0.002 16 0 "[ . 1 . 2]"
1 116 LYS 0.017 0.007 15 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ARG 0.145 0.029 4 0 "[ . 1 . 2]"
1 119 HIS 0.583 0.061 12 0 "[ . 1 . 2]"
1 120 GLU 0.417 0.061 12 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 VAL 3.784 0.262 2 0 "[ . 1 . 2]"
1 124 MET 0.009 0.005 7 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.761 0.185 10 0 "[ . 1 . 2]"
1 128 GLY 3.469 0.185 10 0 "[ . 1 . 2]"
1 129 GLY 3.893 0.213 1 0 "[ . 1 . 2]"
1 130 ALA 0.189 0.038 16 0 "[ . 1 . 2]"
1 131 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ASP 0.049 0.024 5 0 "[ . 1 . 2]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 LYS 0.009 0.008 16 0 "[ . 1 . 2]"
1 137 HIS 0.006 0.006 6 0 "[ . 1 . 2]"
1 138 TYR 0.006 0.006 6 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 THR 0.010 0.006 11 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 LYS 0.155 0.026 7 0 "[ . 1 . 2]"
1 155 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 LYS 9.803 0.472 10 0 "[ . 1 . 2]"
1 163 ALA 0.926 0.072 8 0 "[ . 1 . 2]"
1 164 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 165 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 ASN 0.834 0.098 10 0 "[ . 1 . 2]"
1 167 ILE 0.573 0.077 16 0 "[ . 1 . 2]"
1 168 GLN 0.435 0.062 2 0 "[ . 1 . 2]"
1 169 ASP 0.447 0.080 2 0 "[ . 1 . 2]"
1 170 THR 2.185 0.158 7 0 "[ . 1 . 2]"
1 171 GLU 1.738 0.158 7 0 "[ . 1 . 2]"
1 172 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 173 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 174 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 175 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 178 LEU 0.080 0.025 12 0 "[ . 1 . 2]"
1 179 ALA 0.080 0.025 12 0 "[ . 1 . 2]"
1 180 CYS 0.026 0.014 13 0 "[ . 1 . 2]"
1 181 ASP 0.026 0.014 13 0 "[ . 1 . 2]"
1 182 GLU 2.847 0.159 11 0 "[ . 1 . 2]"
1 183 GLU 0.691 0.034 9 0 "[ . 1 . 2]"
1 184 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 185 VAL 0.019 0.009 9 0 "[ . 1 . 2]"
1 186 GLU 0.018 0.010 14 0 "[ . 1 . 2]"
1 187 GLU 0.018 0.010 14 0 "[ . 1 . 2]"
1 188 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 LYS 2.740 0.811 10 2 "[- . + . 2]"
1 190 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 VAL 0.196 0.051 1 0 "[ . 1 . 2]"
1 193 SER 0.218 0.051 1 0 "[ . 1 . 2]"
1 194 GLN 4.402 0.674 3 2 "[ + . 1 -. 2]"
1 195 GLY 7.679 0.674 3 2 "[ + . 1 -. 2]"
1 196 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 197 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 ILE 0.594 0.300 16 0 "[ . 1 . 2]"
1 199 TYR 2.084 0.222 20 0 "[ . 1 . 2]"
1 200 ILE 3.948 0.222 20 0 "[ . 1 . 2]"
1 201 GLU 0.625 0.088 17 0 "[ . 1 . 2]"
1 202 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 203 LYS 0.181 0.037 11 0 "[ . 1 . 2]"
1 204 GLU 5.858 0.202 17 0 "[ . 1 . 2]"
1 205 GLU 0.011 0.008 9 0 "[ . 1 . 2]"
1 206 LYS 0.482 0.062 10 0 "[ . 1 . 2]"
1 207 THR 0.130 0.036 1 0 "[ . 1 . 2]"
1 208 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 209 LEU 2.156 0.126 3 0 "[ . 1 . 2]"
1 210 GLN 0.051 0.030 2 0 "[ . 1 . 2]"
1 211 VAL 4.935 0.187 18 0 "[ . 1 . 2]"
1 212 ALA 4.739 0.187 18 0 "[ . 1 . 2]"
1 213 LYS 0.028 0.008 11 0 "[ . 1 . 2]"
1 214 GLY 0.010 0.006 16 0 "[ . 1 . 2]"
1 217 GLY 1.965 0.102 20 0 "[ . 1 . 2]"
1 218 LEU 1.529 0.082 6 0 "[ . 1 . 2]"
1 219 ILE 0.933 0.082 6 0 "[ . 1 . 2]"
1 220 LEU 0.049 0.017 6 0 "[ . 1 . 2]"
1 221 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 222 ARG 0.187 0.041 14 0 "[ . 1 . 2]"
1 223 MET 5.568 0.273 17 0 "[ . 1 . 2]"
1 224 VAL 2.829 0.157 18 0 "[ . 1 . 2]"
1 225 GLU 4.575 0.152 18 0 "[ . 1 . 2]"
1 226 GLY 5.212 0.152 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS HB2 1 5 VAL H 3.000 . 3.700 3.054 1.962 3.707 0.007 11 0 "[ . 1 . 2]" 4
2 1 4 CYS HB3 1 5 VAL H 3.000 . 3.700 2.841 2.030 3.705 0.005 20 0 "[ . 1 . 2]" 4
3 1 5 VAL HB 1 6 SER H 3.000 . 3.700 2.541 2.006 2.751 . 0 0 "[ . 1 . 2]" 4
4 1 10 VAL HB 1 11 CYS H 4.000 . 5.000 3.361 2.624 3.719 . 0 0 "[ . 1 . 2]" 4
5 1 12 ASN CB 1 13 LEU H 3.000 . 4.700 3.120 3.027 3.269 . 0 0 "[ . 1 . 2]" 4
6 1 14 ALA CB 1 15 TYR H 3.000 . 4.700 3.146 3.071 3.217 . 0 0 "[ . 1 . 2]" 4
7 1 15 TYR HB2 1 16 SER H 3.000 . 3.700 3.715 3.621 3.769 0.069 4 0 "[ . 1 . 2]" 4
8 1 15 TYR HB3 1 16 SER H 3.000 . 3.700 2.657 2.593 2.752 . 0 0 "[ . 1 . 2]" 4
9 1 16 SER HB2 1 17 GLY H 4.000 . 5.000 3.725 3.362 4.296 . 0 0 "[ . 1 . 2]" 4
10 1 16 SER HB3 1 17 GLY H 4.000 . 5.000 3.815 3.300 4.502 . 0 0 "[ . 1 . 2]" 4
11 1 20 GLU CB 1 21 GLU H 3.000 . 4.700 2.983 2.943 3.061 . 0 0 "[ . 1 . 2]" 4
12 1 23 LYS CB 1 24 GLU H 2.500 . 3.700 2.917 2.892 2.978 . 0 0 "[ . 1 . 2]" 4
13 1 24 GLU CB 1 25 SER H 2.500 . 3.700 3.224 3.067 3.257 . 0 0 "[ . 1 . 2]" 4
14 1 27 LEU HB3 1 28 ALA H 3.000 . 3.700 3.219 3.006 3.370 . 0 0 "[ . 1 . 2]" 4
15 1 27 LEU HB2 1 28 ALA H 3.000 . 3.700 2.719 2.580 2.852 . 0 0 "[ . 1 . 2]" 4
16 1 28 ALA CB 1 29 ASP H 2.500 . 3.700 3.231 3.185 3.251 . 0 0 "[ . 1 . 2]" 4
17 1 29 ASP HB2 1 30 LYS H 3.000 . 3.700 4.095 4.082 4.112 0.412 4 0 "[ . 1 . 2]" 4
18 1 29 ASP HB3 1 30 LYS H 3.000 . 3.700 3.900 3.877 3.930 0.230 4 0 "[ . 1 . 2]" 4
19 1 30 LYS CB 1 31 SER H 2.500 . 3.700 3.030 3.002 3.103 . 0 0 "[ . 1 . 2]" 4
20 1 32 LEU CB 1 33 ALA H 3.000 . 4.700 3.208 3.162 3.364 . 0 0 "[ . 1 . 2]" 4
21 1 33 ALA CB 1 34 THR H 2.500 . 3.900 3.388 3.290 3.470 . 0 0 "[ . 1 . 2]" 4
22 1 34 THR HB 1 35 ARG H 4.000 . 5.000 4.189 3.629 4.495 . 0 0 "[ . 1 . 2]" 4
23 1 35 ARG HB2 1 36 THR H 4.000 . 5.000 4.377 4.225 4.579 . 0 0 "[ . 1 . 2]" 4
24 1 35 ARG HB3 1 36 THR H 4.000 . 5.000 3.830 3.372 4.047 . 0 0 "[ . 1 . 2]" 4
25 1 36 THR HB 1 37 ASP H 3.000 . 3.700 2.899 1.947 3.753 0.053 4 0 "[ . 1 . 2]" 4
26 1 39 ASP HB2 1 40 SER H 4.000 . 5.000 4.053 3.547 4.448 . 0 0 "[ . 1 . 2]" 4
27 1 39 ASP HB3 1 40 SER H 4.000 . 5.000 4.251 3.837 4.630 . 0 0 "[ . 1 . 2]" 4
28 1 43 ALA CB 1 44 LEU H 4.000 . 6.000 3.379 3.346 3.417 . 0 0 "[ . 1 . 2]" 4
29 1 46 TRP CB 1 47 ALA H 3.000 . 4.700 3.102 3.014 3.264 . 0 0 "[ . 1 . 2]" 4
30 1 47 ALA CB 1 48 CYS H 2.500 . 3.700 3.071 3.030 3.133 . 0 0 "[ . 1 . 2]" 4
31 1 48 CYS HB2 1 49 SER H 3.000 . 3.700 2.818 2.578 3.756 0.056 18 0 "[ . 1 . 2]" 4
32 1 48 CYS HB3 1 49 SER H 3.000 . 3.700 3.660 3.430 3.791 0.091 4 0 "[ . 1 . 2]" 4
33 1 52 HIS HB2 1 53 THR H 4.000 . 5.000 4.438 4.383 4.534 . 0 0 "[ . 1 . 2]" 4
34 1 52 HIS HB3 1 53 THR H 4.000 . 5.000 3.846 3.623 4.160 . 0 0 "[ . 1 . 2]" 4
35 1 53 THR HB 1 54 GLU H 3.000 . 3.700 3.168 2.438 3.711 0.011 11 0 "[ . 1 . 2]" 4
36 1 58 PHE HB2 1 59 LEU H 4.000 . 5.000 4.015 3.983 4.064 . 0 0 "[ . 1 . 2]" 4
37 1 58 PHE HB3 1 59 LEU H 4.000 . 5.000 2.686 2.643 2.769 . 0 0 "[ . 1 . 2]" 4
38 1 61 GLN HB2 1 62 LEU H 3.000 . 3.700 3.889 3.841 3.934 0.234 1 0 "[ . 1 . 2]" 4
39 1 61 GLN HB3 1 62 LEU H 3.000 . 3.700 3.410 3.216 3.664 . 0 0 "[ . 1 . 2]" 4
40 1 62 LEU HB3 1 63 GLY H 4.000 . 5.000 3.978 3.658 4.318 . 0 0 "[ . 1 . 2]" 4
41 1 62 LEU HB2 1 63 GLY H 4.000 . 5.000 3.300 3.027 3.668 . 0 0 "[ . 1 . 2]" 4
42 1 65 PRO HB2 1 66 VAL H 3.000 . 3.700 3.509 2.996 3.743 0.043 15 0 "[ . 1 . 2]" 4
43 1 65 PRO HB3 1 66 VAL H 3.000 . 3.700 3.553 3.226 3.734 0.034 12 0 "[ . 1 . 2]" 4
44 1 71 ASP CB 1 72 ALA H 3.000 . 4.700 3.609 3.273 3.766 . 0 0 "[ . 1 . 2]" 4
45 1 72 ALA CB 1 73 GLY H 3.000 . 4.700 3.426 3.247 3.701 . 0 0 "[ . 1 . 2]" 4
46 1 81 ALA CB 1 82 SER H 2.500 . 3.700 3.133 3.073 3.224 . 0 0 "[ . 1 . 2]" 4
47 1 83 ALA CB 1 84 GLY H 2.500 . 3.700 3.721 2.754 3.807 0.107 2 0 "[ . 1 . 2]" 4
48 1 86 ASP HB2 1 87 GLU H 3.000 . 3.700 3.426 2.817 3.713 0.013 16 0 "[ . 1 . 2]" 4
49 1 86 ASP HB3 1 87 GLU H 3.000 . 3.700 2.991 2.581 3.753 0.053 16 0 "[ . 1 . 2]" 4
50 1 87 GLU CB 1 88 ILE H 3.000 . 4.700 3.036 3.020 3.055 . 0 0 "[ . 1 . 2]" 4
51 1 89 VAL HB 1 90 LYS H 3.000 . 3.700 3.429 2.669 3.765 0.065 20 0 "[ . 1 . 2]" 4
52 1 91 ALA CB 1 92 LEU H 2.500 . 3.700 3.391 3.382 3.403 . 0 0 "[ . 1 . 2]" 4
53 1 93 LEU HB2 1 94 GLY H 3.000 . 3.700 3.210 2.612 3.620 . 0 0 "[ . 1 . 2]" 4
54 1 93 LEU HB3 1 94 GLY H 3.000 . 3.700 2.865 2.610 3.447 . 0 0 "[ . 1 . 2]" 4
55 1 95 LYS CB 1 96 GLY H 3.000 . 4.700 3.810 3.706 3.868 . 0 0 "[ . 1 . 2]" 4
56 1 97 ALA CB 1 98 GLN H 4.000 . 6.000 2.886 2.725 3.371 . 0 0 "[ . 1 . 2]" 4
57 1 98 GLN HB2 1 99 VAL H 3.000 . 3.700 3.612 3.504 3.741 0.041 8 0 "[ . 1 . 2]" 4
58 1 98 GLN HB3 1 99 VAL H 3.000 . 3.700 2.098 1.947 2.293 . 0 0 "[ . 1 . 2]" 4
59 1 100 ASN HB2 1 101 ALA H 4.000 . 5.000 4.136 3.523 4.373 . 0 0 "[ . 1 . 2]" 4
60 1 100 ASN HB3 1 101 ALA H 4.000 . 5.000 4.620 4.395 4.701 . 0 0 "[ . 1 . 2]" 4
61 1 101 ALA CB 1 102 VAL H 2.500 . 3.700 3.500 3.361 3.772 0.072 20 0 "[ . 1 . 2]" 4
62 1 105 ASN HB2 1 106 GLY H 4.000 . 5.000 4.225 4.033 4.522 . 0 0 "[ . 1 . 2]" 4
63 1 105 ASN HB3 1 106 GLY H 4.000 . 5.000 4.262 4.034 4.622 . 0 0 "[ . 1 . 2]" 4
64 1 112 TYR HB2 1 113 ALA H 3.000 . 3.700 2.643 2.530 2.873 . 0 0 "[ . 1 . 2]" 4
65 1 112 TYR HB3 1 113 ALA H 3.000 . 3.700 3.443 3.328 3.705 0.005 12 0 "[ . 1 . 2]" 4
66 1 113 ALA CB 1 114 ALA H 4.000 . 6.000 3.142 3.035 3.244 . 0 0 "[ . 1 . 2]" 4
67 1 114 ALA CB 1 115 SER H 3.000 . 4.700 3.092 2.953 3.248 . 0 0 "[ . 1 . 2]" 4
68 1 115 SER HB2 1 116 LYS H 4.000 . 5.000 3.554 2.729 4.263 . 0 0 "[ . 1 . 2]" 4
69 1 115 SER HB3 1 116 LYS H 4.000 . 5.000 3.724 3.129 4.092 . 0 0 "[ . 1 . 2]" 4
70 1 117 ASN HB2 1 118 ARG H 5.000 . 6.000 4.090 3.405 4.490 . 0 0 "[ . 1 . 2]" 4
71 1 117 ASN HB3 1 118 ARG H 5.000 . 6.000 4.051 3.215 4.532 . 0 0 "[ . 1 . 2]" 4
72 1 122 ALA CB 1 123 VAL H 3.000 . 4.700 3.092 3.027 3.182 . 0 0 "[ . 1 . 2]" 4
73 1 127 GLU HB2 1 128 GLY H 3.000 . 3.700 3.162 3.041 3.718 0.018 10 0 "[ . 1 . 2]" 4
74 1 127 GLU HB3 1 128 GLY H 3.000 . 3.700 3.643 3.327 3.885 0.185 10 0 "[ . 1 . 2]" 4
75 1 130 ALA CB 1 131 ASN H 4.000 . 6.000 3.639 3.553 3.722 . 0 0 "[ . 1 . 2]" 4
76 1 133 ASP CB 1 134 ALA H 4.000 . 6.000 3.859 3.797 3.923 . 0 0 "[ . 1 . 2]" 4
77 1 142 ALA CB 1 143 MET H 3.000 . 4.700 3.125 3.091 3.172 . 0 0 "[ . 1 . 2]" 4
78 1 147 ALA CB 1 148 ALA H 3.000 . 4.700 3.202 3.062 3.255 . 0 0 "[ . 1 . 2]" 4
79 1 160 TYR HB2 1 161 TYR H 4.000 . 5.000 4.033 3.884 4.353 . 0 0 "[ . 1 . 2]" 4
80 1 160 TYR HB3 1 161 TYR H 4.000 . 5.000 2.823 2.577 3.943 . 0 0 "[ . 1 . 2]" 4
81 1 161 TYR HB2 1 162 LYS H 5.000 . 6.000 3.727 3.621 3.870 . 0 0 "[ . 1 . 2]" 4
82 1 161 TYR HB3 1 162 LYS H 5.000 . 6.000 4.052 3.828 4.300 . 0 0 "[ . 1 . 2]" 4
83 1 163 ALA CB 1 164 SER H 4.000 . 6.000 2.709 2.157 3.325 . 0 0 "[ . 1 . 2]" 4
84 1 166 ASN HB2 1 167 ILE H 4.000 . 5.000 4.133 3.771 4.661 . 0 0 "[ . 1 . 2]" 4
85 1 166 ASN HB3 1 167 ILE H 4.000 . 5.000 4.267 3.519 4.673 . 0 0 "[ . 1 . 2]" 4
86 1 169 ASP HB2 1 170 THR H 3.000 . 3.700 3.384 2.064 3.780 0.080 2 0 "[ . 1 . 2]" 4
87 1 169 ASP HB3 1 170 THR H 3.000 . 3.700 2.813 2.053 3.705 0.005 17 0 "[ . 1 . 2]" 4
88 1 170 THR HB 1 171 GLU H 3.000 . 3.700 3.590 2.408 3.858 0.158 7 0 "[ . 1 . 2]" 4
89 1 180 CYS HB2 1 181 ASP H 4.000 . 5.000 2.653 2.430 3.667 . 0 0 "[ . 1 . 2]" 4
90 1 180 CYS HB3 1 181 ASP H 4.000 . 5.000 3.335 3.031 3.830 . 0 0 "[ . 1 . 2]" 4
91 1 181 ASP HB2 1 182 GLU H 4.000 . 5.000 3.470 3.001 3.904 . 0 0 "[ . 1 . 2]" 4
92 1 181 ASP HB3 1 182 GLU H 4.000 . 5.000 3.015 2.779 3.415 . 0 0 "[ . 1 . 2]" 4
93 1 187 GLU CB 1 188 ALA H 3.000 . 4.700 3.064 2.935 3.151 . 0 0 "[ . 1 . 2]" 4
94 1 192 VAL HB 1 193 SER H 3.000 . 3.700 3.013 2.587 3.751 0.051 1 0 "[ . 1 . 2]" 4
95 1 193 SER HB2 1 194 GLN H 4.000 . 5.000 3.977 2.990 4.436 . 0 0 "[ . 1 . 2]" 4
96 1 193 SER HB3 1 194 GLN H 4.000 . 5.000 3.858 3.266 4.212 . 0 0 "[ . 1 . 2]" 4
97 1 194 GLN HB2 1 195 GLY H 3.000 . 3.700 3.236 2.586 3.738 0.038 3 0 "[ . 1 . 2]" 4
98 1 194 GLN HB3 1 195 GLY H 3.000 . 3.700 3.195 2.613 3.762 0.062 20 0 "[ . 1 . 2]" 4
99 1 196 ALA CB 1 197 SER H 4.000 . 6.000 3.521 2.338 4.033 . 0 0 "[ . 1 . 2]" 4
100 1 198 ILE CG1 1 199 TYR H 4.000 . 6.000 3.683 2.561 4.745 . 0 0 "[ . 1 . 2]" 4
101 1 199 TYR HB2 1 200 ILE H 3.000 . 3.700 3.284 3.051 3.754 0.054 20 0 "[ . 1 . 2]" 4
102 1 199 TYR HB3 1 200 ILE H 3.000 . 3.700 3.763 3.705 3.922 0.222 20 0 "[ . 1 . 2]" 4
103 1 200 ILE HB 1 201 GLU H 4.000 . 5.000 4.187 2.195 4.336 . 0 0 "[ . 1 . 2]" 4
104 1 201 GLU HB2 1 202 ASN H 3.000 . 3.700 2.767 1.938 3.323 . 0 0 "[ . 1 . 2]" 4
105 1 201 GLU HB3 1 202 ASN H 3.000 . 3.700 2.584 1.904 3.646 . 0 0 "[ . 1 . 2]" 4
106 1 206 LYS CB 1 207 THR H 3.000 . 4.700 3.582 3.323 3.853 . 0 0 "[ . 1 . 2]" 4
107 1 211 VAL HB 1 212 ALA H 3.000 . 3.700 3.877 3.852 3.887 0.187 18 0 "[ . 1 . 2]" 4
108 1 212 ALA CB 1 213 LYS H 3.000 . 4.700 2.886 2.771 3.439 . 0 0 "[ . 1 . 2]" 4
109 1 218 LEU HB2 1 219 ILE H 3.000 . 3.700 3.744 3.728 3.782 0.082 6 0 "[ . 1 . 2]" 4
110 1 218 LEU HB3 1 219 ILE H 3.000 . 3.700 2.679 2.607 2.851 . 0 0 "[ . 1 . 2]" 4
111 1 219 ILE HB 1 220 LEU H 3.000 . 3.700 2.922 2.562 3.717 0.017 6 0 "[ . 1 . 2]" 4
112 1 223 MET HB2 1 224 VAL H 4.000 . 5.000 2.835 2.807 2.862 . 0 0 "[ . 1 . 2]" 4
113 1 223 MET HB3 1 224 VAL H 4.000 . 5.000 3.937 3.927 3.954 . 0 0 "[ . 1 . 2]" 4
114 1 223 MET HG2 1 224 VAL H 4.000 . 5.000 4.977 4.947 5.009 0.009 16 0 "[ . 1 . 2]" 4
115 1 223 MET HG3 1 224 VAL H 4.000 . 5.000 4.075 4.035 4.130 . 0 0 "[ . 1 . 2]" 4
116 1 4 CYS HA 1 5 VAL CG1 3.000 . 4.700 4.778 4.718 4.828 0.128 8 0 "[ . 1 . 2]" 4
117 1 4 CYS HA 1 5 VAL CG2 4.000 . 6.000 4.584 4.238 4.794 . 0 0 "[ . 1 . 2]" 4
118 1 4 CYS HB2 1 5 VAL CG1 5.000 . 7.000 6.096 5.451 6.632 . 0 0 "[ . 1 . 2]" 4
119 1 4 CYS HB2 1 5 VAL CG2 5.000 . 7.000 5.388 4.220 6.114 . 0 0 "[ . 1 . 2]" 4
120 1 4 CYS HB3 1 5 VAL CG1 5.000 . 7.000 6.061 5.521 6.757 . 0 0 "[ . 1 . 2]" 4
121 1 4 CYS HB3 1 5 VAL CG2 5.000 . 7.000 5.156 4.348 6.293 . 0 0 "[ . 1 . 2]" 4
122 1 5 VAL CG1 1 6 SER H 4.000 . 6.000 4.030 3.656 4.183 . 0 0 "[ . 1 . 2]" 4
123 1 5 VAL CG2 1 6 SER H 2.500 . 3.700 2.228 1.877 2.438 . 0 0 "[ . 1 . 2]" 4
124 1 10 VAL CG1 1 11 CYS H 4.000 . 6.000 4.372 4.134 4.533 . 0 0 "[ . 1 . 2]" 4
125 1 10 VAL CG2 1 11 CYS H 4.000 . 6.000 3.161 2.638 4.228 . 0 0 "[ . 1 . 2]" 4
126 1 15 TYR CG 1 16 SER H 4.000 . 5.700 4.321 4.220 4.436 . 0 0 "[ . 1 . 2]" 4
127 1 15 TYR CZ 1 16 SER H 4.000 . 7.000 6.862 6.700 7.021 0.021 19 0 "[ . 1 . 2]" 4
128 1 17 GLY H 1 18 LYS CE 5.000 . 7.000 6.733 5.530 7.015 0.015 9 0 "[ . 1 . 2]" 4
129 1 18 LYS CD 1 19 LEU H 5.000 . 7.000 6.151 5.556 6.387 . 0 0 "[ . 1 . 2]" 4
130 1 19 LEU CD1 1 20 GLU H 4.000 . 6.000 4.753 3.879 5.306 . 0 0 "[ . 1 . 2]" 4
131 1 19 LEU CD2 1 20 GLU H 4.000 . 6.000 4.713 4.500 5.037 . 0 0 "[ . 1 . 2]" 4
132 1 20 GLU CG 1 21 GLU H 3.000 . 4.700 4.236 2.483 4.554 . 0 0 "[ . 1 . 2]" 4
133 1 21 GLU CG 1 22 LEU H 3.000 . 4.700 4.562 4.387 4.713 0.013 7 0 "[ . 1 . 2]" 4
134 1 23 LYS HG2 1 24 GLU H 4.000 . 5.000 4.613 3.973 4.832 . 0 0 "[ . 1 . 2]" 4
135 1 23 LYS HG3 1 24 GLU H 4.000 . 5.000 4.352 4.065 4.709 . 0 0 "[ . 1 . 2]" 4
136 1 23 LYS CD 1 24 GLU H 4.000 . 6.000 5.358 5.219 5.440 . 0 0 "[ . 1 . 2]" 4
137 1 23 LYS CE 1 24 GLU H 5.000 . 7.000 6.087 5.647 6.720 . 0 0 "[ . 1 . 2]" 4
138 1 24 GLU HG2 1 25 SER H 4.000 . 5.000 4.185 2.341 5.002 0.002 4 0 "[ . 1 . 2]" 4
139 1 24 GLU HG3 1 25 SER H 4.000 . 5.000 4.171 2.034 5.052 0.052 4 0 "[ . 1 . 2]" 4
140 1 26 ILE CD1 1 27 LEU H 5.000 . 7.000 5.472 5.145 5.598 . 0 0 "[ . 1 . 2]" 4
141 1 27 LEU H 1 28 ALA HA 4.000 . 5.000 5.154 5.133 5.164 0.164 4 0 "[ . 1 . 2]" 4
142 1 28 ALA H 1 29 ASP HB2 4.000 . 5.000 4.887 4.862 4.940 . 0 0 "[ . 1 . 2]" 4
143 1 28 ALA H 1 29 ASP HB3 4.000 . 5.000 5.031 5.013 5.066 0.066 4 0 "[ . 1 . 2]" 4
144 1 29 ASP H 1 30 LYS HA 5.000 . 6.000 4.715 4.678 4.735 . 0 0 "[ . 1 . 2]" 4
145 1 30 LYS CG 1 31 SER H 4.000 . 6.000 4.342 2.725 4.574 . 0 0 "[ . 1 . 2]" 4
146 1 30 LYS CD 1 31 SER H 4.000 . 6.000 5.364 4.118 5.614 . 0 0 "[ . 1 . 2]" 4
147 1 34 THR CG2 1 35 ARG H 4.000 . 6.000 4.745 4.362 4.949 . 0 0 "[ . 1 . 2]" 4
148 1 35 ARG CG 1 36 THR H 3.000 . 4.700 3.526 3.245 4.134 . 0 0 "[ . 1 . 2]" 4
149 1 35 ARG HD2 1 36 THR H 4.000 . 5.000 3.480 2.535 4.894 . 0 0 "[ . 1 . 2]" 4
150 1 35 ARG HD3 1 36 THR H 4.000 . 5.000 3.872 1.811 4.998 . 0 0 "[ . 1 . 2]" 4
151 1 36 THR CG2 1 37 ASP H 2.500 . 3.700 3.737 3.700 3.760 0.060 10 0 "[ . 1 . 2]" 4
152 1 38 GLN HG2 1 39 ASP H 5.000 . 6.000 4.526 2.412 5.401 . 0 0 "[ . 1 . 2]" 4
153 1 38 GLN HG3 1 39 ASP H 5.000 . 6.000 4.364 2.689 4.878 . 0 0 "[ . 1 . 2]" 4
154 1 38 GLN HE21 1 39 ASP H 5.000 . 6.000 4.998 4.397 5.785 . 0 0 "[ . 1 . 2]" 4
155 1 38 GLN HE22 1 39 ASP H 5.000 . 6.000 5.956 5.756 6.009 0.009 19 0 "[ . 1 . 2]" 4
156 1 42 THR HG1 1 43 ALA H 4.000 . 5.000 4.194 3.787 4.766 . 0 0 "[ . 1 . 2]" 4
157 1 42 THR CG2 1 43 ALA H 3.000 . 4.700 4.517 4.386 4.625 . 0 0 "[ . 1 . 2]" 4
158 1 44 LEU H 1 45 HIS HE1 5.000 . 6.000 6.028 5.769 6.100 0.100 20 0 "[ . 1 . 2]" 4
159 1 51 GLY H 1 52 HIS HA 4.000 . 5.000 4.948 4.574 5.166 0.166 4 0 "[ . 1 . 2]" 4
160 1 52 HIS HA 1 53 THR CG2 5.000 . 7.000 5.492 4.791 6.251 . 0 0 "[ . 1 . 2]" 4
161 1 53 THR HA 1 54 GLU CG 5.000 . 7.000 6.475 6.027 6.930 . 0 0 "[ . 1 . 2]" 4
162 1 53 THR CG2 1 54 GLU HA 4.000 . 6.000 5.455 4.560 6.018 0.018 13 0 "[ . 1 . 2]" 4
163 1 54 GLU H 1 55 ILE CD1 5.000 . 7.000 6.023 5.645 6.447 . 0 0 "[ . 1 . 2]" 4
164 1 56 VAL CG1 1 57 GLU H 4.000 . 6.000 4.267 2.685 4.703 . 0 0 "[ . 1 . 2]" 4
165 1 56 VAL CG2 1 57 GLU H 4.000 . 6.000 3.389 2.703 4.234 . 0 0 "[ . 1 . 2]" 4
166 1 57 GLU H 1 58 PHE CG 5.000 . 8.000 6.438 6.314 6.568 . 0 0 "[ . 1 . 2]" 4
167 1 58 PHE CG 1 59 LEU H 3.000 . 5.700 3.665 3.596 3.697 . 0 0 "[ . 1 . 2]" 4
168 1 58 PHE CZ 1 59 LEU H 3.000 . 5.700 5.728 5.613 5.757 0.057 9 0 "[ . 1 . 2]" 4
169 1 60 LEU H 1 61 GLN HB2 5.000 . 6.000 5.931 5.809 6.055 0.055 9 0 "[ . 1 . 2]" 4
170 1 60 LEU H 1 61 GLN HB3 5.000 . 6.000 4.429 4.277 4.631 . 0 0 "[ . 1 . 2]" 4
171 1 61 GLN HG2 1 62 LEU H 3.000 . 3.700 2.065 1.983 2.214 . 0 0 "[ . 1 . 2]" 4
172 1 61 GLN HG3 1 62 LEU H 4.000 . 5.000 2.677 2.512 2.806 . 0 0 "[ . 1 . 2]" 4
173 1 61 GLN HE21 1 62 LEU CG 3.000 . 5.700 3.445 2.860 3.988 . 0 0 "[ . 1 . 2]" 4
174 1 61 GLN HE22 1 62 LEU CG 3.000 . 5.700 5.160 4.576 5.697 . 0 0 "[ . 1 . 2]" 4
175 1 62 LEU HG 1 63 GLY H 4.000 . 5.000 4.743 4.569 5.017 0.017 15 0 "[ . 1 . 2]" 4
176 1 63 GLY H 1 64 VAL CG2 4.000 . 6.000 5.137 4.414 6.035 0.035 16 0 "[ . 1 . 2]" 4
177 1 64 VAL HA 1 65 PRO HD2 2.500 . 2.900 2.344 2.008 2.911 0.011 4 0 "[ . 1 . 2]" 4
178 1 64 VAL HA 1 65 PRO HD3 2.500 . 2.900 2.381 1.950 2.710 . 0 0 "[ . 1 . 2]" 4
179 1 64 VAL CG1 1 65 PRO HD2 4.000 . 6.000 3.379 2.424 4.241 . 0 0 "[ . 1 . 2]" 4
180 1 64 VAL CG1 1 65 PRO HD3 4.000 . 6.000 4.512 3.547 5.319 . 0 0 "[ . 1 . 2]" 4
181 1 64 VAL CG2 1 65 PRO HD2 4.000 . 6.000 3.436 2.406 4.259 . 0 0 "[ . 1 . 2]" 4
182 1 64 VAL CG2 1 65 PRO HD3 4.000 . 6.000 4.537 3.022 5.245 . 0 0 "[ . 1 . 2]" 4
183 1 65 PRO HD2 1 66 VAL H 5.000 . 6.000 5.667 5.444 5.809 . 0 0 "[ . 1 . 2]" 4
184 1 65 PRO HD3 1 66 VAL H 5.000 . 6.000 5.474 5.278 5.741 . 0 0 "[ . 1 . 2]" 4
185 1 66 VAL H 1 67 ASN HA 5.000 . 6.000 4.585 4.433 4.662 . 0 0 "[ . 1 . 2]" 4
186 1 66 VAL H 1 67 ASN HB3 5.000 . 6.000 5.349 5.115 5.515 . 0 0 "[ . 1 . 2]" 4
187 1 66 VAL H 1 67 ASN HB2 5.000 . 6.000 4.040 3.684 4.478 . 0 0 "[ . 1 . 2]" 4
188 1 66 VAL H 1 67 ASN ND2 5.000 . 7.000 4.412 3.619 4.993 . 0 0 "[ . 1 . 2]" 4
189 1 66 VAL CG1 1 67 ASN H 5.000 . 7.000 3.857 2.844 4.982 . 0 0 "[ . 1 . 2]" 4
190 1 66 VAL CG2 1 67 ASN H 5.000 . 7.000 3.962 2.844 4.791 . 0 0 "[ . 1 . 2]" 4
191 1 66 VAL CG1 1 67 ASN HA 5.000 . 7.000 5.153 4.351 6.260 . 0 0 "[ . 1 . 2]" 4
192 1 66 VAL CG2 1 67 ASN HA 5.000 . 7.000 4.869 4.312 6.084 . 0 0 "[ . 1 . 2]" 4
193 1 74 TRP HD1 1 75 SER H 5.000 . 6.000 5.288 5.121 6.012 0.012 15 0 "[ . 1 . 2]" 4
194 1 79 ILE CD1 1 80 ALA H 4.000 . 6.000 4.868 4.263 5.238 . 0 0 "[ . 1 . 2]" 4
195 1 87 GLU CG 1 88 ILE H 4.000 . 6.000 4.198 2.607 4.548 . 0 0 "[ . 1 . 2]" 4
196 1 88 ILE CG2 1 89 VAL H 4.000 . 6.000 3.962 2.864 4.139 . 0 0 "[ . 1 . 2]" 4
197 1 89 VAL CB 1 90 LYS H 2.500 . 3.700 3.142 3.117 3.176 . 0 0 "[ . 1 . 2]" 4
198 1 90 LYS CE 1 91 ALA H 5.000 . 7.000 5.840 4.178 6.678 . 0 0 "[ . 1 . 2]" 4
199 1 95 LYS CD 1 96 GLY H 4.000 . 6.000 5.480 4.708 6.093 0.093 4 0 "[ . 1 . 2]" 4
200 1 95 LYS CE 1 96 GLY H 4.000 . 6.000 5.967 5.435 6.110 0.110 12 0 "[ . 1 . 2]" 4
201 1 98 GLN H 1 99 VAL CB 5.000 . 8.000 6.372 6.236 6.522 . 0 0 "[ . 1 . 2]" 4
202 1 98 GLN HG3 1 99 VAL H 4.000 . 5.000 4.298 4.173 4.485 . 0 0 "[ . 1 . 2]" 4
203 1 98 GLN HG2 1 99 VAL H 4.000 . 5.000 3.445 3.278 3.609 . 0 0 "[ . 1 . 2]" 4
204 1 99 VAL H 1 100 ASN HA 5.000 . 6.000 4.500 4.456 4.573 . 0 0 "[ . 1 . 2]" 4
205 1 99 VAL CG1 1 100 ASN HA 5.000 . 7.000 5.498 4.480 6.179 . 0 0 "[ . 1 . 2]" 4
206 1 99 VAL CG2 1 100 ASN HA 5.000 . 7.000 5.248 4.738 6.112 . 0 0 "[ . 1 . 2]" 4
207 1 99 VAL CG1 1 100 ASN HD21 5.000 . 7.000 4.551 2.710 5.527 . 0 0 "[ . 1 . 2]" 4
208 1 99 VAL CG2 1 100 ASN HD21 5.000 . 7.000 4.039 2.780 5.376 . 0 0 "[ . 1 . 2]" 4
209 1 100 ASN H 1 101 ALA HA 5.000 . 6.000 4.532 4.273 4.918 . 0 0 "[ . 1 . 2]" 4
210 1 100 ASN H 1 101 ALA CB 4.000 . 6.000 4.853 4.741 5.121 . 0 0 "[ . 1 . 2]" 4
211 1 100 ASN HD22 1 101 ALA H 5.000 . 6.000 5.640 5.195 5.974 . 0 0 "[ . 1 . 2]" 4
212 1 105 ASN H 1 106 GLY HA3 4.000 . 5.000 4.948 4.860 5.053 0.053 13 0 "[ . 1 . 2]" 4
213 1 105 ASN H 1 106 GLY HA2 4.000 . 5.000 4.562 4.462 4.723 . 0 0 "[ . 1 . 2]" 4
214 1 111 HIS H 1 112 TYR CG 4.000 . 7.000 5.563 5.418 5.638 . 0 0 "[ . 1 . 2]" 4
215 1 111 HIS H 1 112 TYR CZ 5.000 . 8.000 7.039 6.735 7.211 . 0 0 "[ . 1 . 2]" 4
216 1 112 TYR H 1 113 ALA CB 4.000 . 6.000 5.086 5.006 5.172 . 0 0 "[ . 1 . 2]" 4
217 1 112 TYR CG 1 113 ALA H 3.000 . 5.700 4.398 4.320 4.551 . 0 0 "[ . 1 . 2]" 4
218 1 112 TYR CZ 1 113 ALA H 5.000 . 8.000 7.057 6.967 7.199 . 0 0 "[ . 1 . 2]" 4
219 1 115 SER HB2 1 116 LYS CE 5.000 . 7.000 5.823 4.576 7.002 0.002 16 0 "[ . 1 . 2]" 4
220 1 115 SER HB3 1 116 LYS CE 5.000 . 7.000 5.542 4.241 6.942 . 0 0 "[ . 1 . 2]" 4
221 1 118 ARG HA 1 119 HIS HE1 5.000 . 6.000 5.892 5.567 6.029 0.029 4 0 "[ . 1 . 2]" 4
222 1 119 HIS HD2 1 120 GLU H 5.000 . 6.000 6.021 5.998 6.061 0.061 12 0 "[ . 1 . 2]" 4
223 1 122 ALA H 1 123 VAL CG2 4.000 . 6.000 5.527 4.888 5.816 . 0 0 "[ . 1 . 2]" 4
224 1 124 MET HG2 1 125 LEU H 5.000 . 6.000 4.279 2.608 5.161 . 0 0 "[ . 1 . 2]" 4
225 1 124 MET HG3 1 125 LEU H 5.000 . 6.000 3.826 2.032 5.131 . 0 0 "[ . 1 . 2]" 4
226 1 127 GLU CG 1 128 GLY H 3.000 . 4.700 4.622 2.713 4.810 0.110 5 0 "[ . 1 . 2]" 4
227 1 129 GLY H 1 130 ALA CB 3.000 . 4.700 4.575 4.207 4.738 0.038 16 0 "[ . 1 . 2]" 4
228 1 131 ASN HA 1 132 PRO HD2 2.500 . 2.900 2.363 1.953 2.599 . 0 0 "[ . 1 . 2]" 4
229 1 131 ASN HA 1 132 PRO HD3 2.500 . 2.900 2.185 1.978 2.591 . 0 0 "[ . 1 . 2]" 4
230 1 133 ASP H 1 134 ALA CB 4.000 . 6.200 4.840 4.701 4.987 . 0 0 "[ . 1 . 2]" 4
231 1 137 HIS H 1 138 TYR CG 5.000 . 8.000 5.298 4.800 5.581 . 0 0 "[ . 1 . 2]" 4
232 1 137 HIS H 1 138 TYR CZ 4.000 . 7.000 6.261 4.840 7.006 0.006 6 0 "[ . 1 . 2]" 4
233 1 138 TYR H 1 139 GLU HA 4.000 . 5.000 4.733 4.439 4.819 . 0 0 "[ . 1 . 2]" 4
234 1 138 TYR CG 1 139 GLU H 5.000 . 8.000 4.643 4.015 4.864 . 0 0 "[ . 1 . 2]" 4
235 1 138 TYR CZ 1 139 GLU H 5.000 . 8.000 6.926 5.643 7.401 . 0 0 "[ . 1 . 2]" 4
236 1 140 ALA HA 1 141 THR CG2 4.000 . 6.000 4.190 4.074 4.388 . 0 0 "[ . 1 . 2]" 4
237 1 141 THR CG2 1 142 ALA H 4.000 . 6.000 4.310 4.190 4.413 . 0 0 "[ . 1 . 2]" 4
238 1 151 ASN HA 1 152 LEU CG 5.000 . 8.000 5.699 4.923 6.128 . 0 0 "[ . 1 . 2]" 4
239 1 152 LEU CD1 1 153 LYS H 4.000 . 6.000 5.446 5.021 5.657 . 0 0 "[ . 1 . 2]" 4
240 1 152 LEU CD2 1 153 LYS H 4.000 . 6.000 5.536 5.180 5.784 . 0 0 "[ . 1 . 2]" 4
241 1 155 ILE CG2 1 156 HIS HD2 5.000 . 7.000 5.706 4.523 6.787 . 0 0 "[ . 1 . 2]" 4
242 1 157 ILE CD1 1 158 LEU H 4.000 . 6.000 4.187 3.647 5.117 . 0 0 "[ . 1 . 2]" 4
243 1 160 TYR H 1 161 TYR CG 5.000 . 8.000 5.837 5.372 6.064 . 0 0 "[ . 1 . 2]" 4
244 1 160 TYR HA 1 161 TYR CB 5.000 . 7.000 5.706 5.672 5.740 . 0 0 "[ . 1 . 2]" 4
245 1 160 TYR CG 1 161 TYR H 3.000 . 5.700 3.990 3.441 4.282 . 0 0 "[ . 1 . 2]" 4
246 1 160 TYR CG 1 161 TYR HA 3.000 . 5.700 4.516 4.180 4.735 . 0 0 "[ . 1 . 2]" 4
247 1 160 TYR CG 1 161 TYR HB2 5.000 . 8.000 5.542 4.808 6.081 . 0 0 "[ . 1 . 2]" 4
248 1 160 TYR CG 1 161 TYR HB3 5.000 . 8.000 6.515 6.038 6.769 . 0 0 "[ . 1 . 2]" 4
249 1 160 TYR CG 1 161 TYR CG 2.500 . 6.700 5.341 5.034 5.593 . 0 0 "[ . 1 . 2]" 4
250 1 160 TYR CG 1 161 TYR CZ 3.000 . 7.700 6.108 5.692 6.675 . 0 0 "[ . 1 . 2]" 4
251 1 160 TYR CZ 1 161 TYR H 5.000 . 8.000 6.213 4.849 6.632 . 0 0 "[ . 1 . 2]" 4
252 1 160 TYR CZ 1 161 TYR HA 4.000 . 7.000 5.531 4.634 5.981 . 0 0 "[ . 1 . 2]" 4
253 1 160 TYR CZ 1 161 TYR CG 3.000 . 7.700 6.239 4.309 6.855 . 0 0 "[ . 1 . 2]" 4
254 1 160 TYR CZ 1 161 TYR CZ 3.000 . 7.700 6.004 4.154 6.709 . 0 0 "[ . 1 . 2]" 4
255 1 161 TYR HA 1 162 LYS HG2 5.000 . 6.000 3.534 3.018 4.714 . 0 0 "[ . 1 . 2]" 4
256 1 161 TYR HA 1 162 LYS HG3 5.000 . 6.000 4.744 4.385 5.737 . 0 0 "[ . 1 . 2]" 4
257 1 161 TYR CG 1 162 LYS H 5.000 . 8.000 4.977 4.936 5.012 . 0 0 "[ . 1 . 2]" 4
258 1 161 TYR CZ 1 162 LYS H 5.000 . 8.000 7.554 7.384 7.639 . 0 0 "[ . 1 . 2]" 4
259 1 161 TYR CG 1 162 LYS HA 5.000 . 8.000 6.903 6.851 6.942 . 0 0 "[ . 1 . 2]" 4
260 1 162 LYS HG2 1 163 ALA H 5.000 . 6.000 4.901 4.440 5.695 . 0 0 "[ . 1 . 2]" 4
261 1 162 LYS HG3 1 163 ALA H 5.000 . 6.000 5.647 5.422 5.712 . 0 0 "[ . 1 . 2]" 4
262 1 162 LYS HD3 1 163 ALA H 4.000 . 5.000 4.519 4.325 5.028 0.028 14 0 "[ . 1 . 2]" 4
263 1 162 LYS HD2 1 163 ALA H 4.000 . 5.000 4.841 3.880 5.072 0.072 8 0 "[ . 1 . 2]" 4
264 1 166 ASN HA 1 167 ILE CD1 5.000 . 7.000 6.205 4.787 7.001 0.001 10 0 "[ . 1 . 2]" 4
265 1 167 ILE HG12 1 168 GLN H 4.000 . 5.000 4.498 4.070 5.019 0.019 4 0 "[ . 1 . 2]" 4
266 1 167 ILE HG13 1 168 GLN H 4.000 . 5.000 4.837 4.421 5.037 0.037 15 0 "[ . 1 . 2]" 4
267 1 167 ILE CD1 1 168 GLN H 5.000 . 7.000 5.522 4.156 5.938 . 0 0 "[ . 1 . 2]" 4
268 1 168 GLN CG 1 169 ASP H 4.000 . 6.000 4.248 3.371 4.879 . 0 0 "[ . 1 . 2]" 4
269 1 169 ASP HA 1 170 THR CG2 4.000 . 6.000 5.354 4.983 6.015 0.015 15 0 "[ . 1 . 2]" 4
270 1 170 THR HB 1 171 GLU HA 5.000 . 6.000 4.566 3.846 5.590 . 0 0 "[ . 1 . 2]" 4
271 1 170 THR CG2 1 171 GLU H 3.000 . 4.700 4.290 3.231 4.794 0.094 2 0 "[ . 1 . 2]" 4
272 1 171 GLU H 1 172 GLY CA 4.000 . 6.000 4.323 4.069 4.738 . 0 0 "[ . 1 . 2]" 4
273 1 173 ASN H 1 174 THR CG2 5.000 . 7.000 4.826 3.830 5.309 . 0 0 "[ . 1 . 2]" 4
274 1 174 THR HA 1 175 PRO HD2 4.000 . 5.000 2.694 2.303 3.202 . 0 0 "[ . 1 . 2]" 4
275 1 174 THR HA 1 175 PRO HD3 4.000 . 5.000 2.455 2.091 2.760 . 0 0 "[ . 1 . 2]" 4
276 1 174 THR CG2 1 175 PRO HD2 5.000 . 7.000 3.798 3.421 4.048 . 0 0 "[ . 1 . 2]" 4
277 1 174 THR CG2 1 175 PRO HD3 5.000 . 7.000 4.640 4.038 5.189 . 0 0 "[ . 1 . 2]" 4
278 1 178 LEU HG 1 179 ALA H 4.000 . 5.000 4.766 4.429 5.025 0.025 12 0 "[ . 1 . 2]" 4
279 1 180 CYS HG 1 181 ASP H 4.000 . 5.000 4.807 3.492 5.014 0.014 13 0 "[ . 1 . 2]" 4
280 1 182 GLU H 1 183 GLU HA 5.000 . 6.000 4.898 4.811 5.031 . 0 0 "[ . 1 . 2]" 4
281 1 183 GLU HG2 1 184 ARG H 5.000 . 6.000 5.179 4.915 5.300 . 0 0 "[ . 1 . 2]" 4
282 1 183 GLU HG3 1 184 ARG H 5.000 . 6.000 5.089 4.874 5.211 . 0 0 "[ . 1 . 2]" 4
283 1 184 ARG CD 1 185 VAL H 4.000 . 6.000 4.811 4.217 5.930 . 0 0 "[ . 1 . 2]" 4
284 1 185 VAL CG1 1 186 GLU H 3.000 . 4.700 4.152 3.978 4.410 . 0 0 "[ . 1 . 2]" 4
285 1 185 VAL CG2 1 186 GLU H 3.000 . 4.700 4.225 4.074 4.442 . 0 0 "[ . 1 . 2]" 4
286 1 186 GLU HG3 1 187 GLU H 4.000 . 5.000 4.156 2.066 5.008 0.008 18 0 "[ . 1 . 2]" 4
287 1 186 GLU HG2 1 187 GLU H 4.000 . 5.000 3.975 1.884 5.010 0.010 14 0 "[ . 1 . 2]" 4
288 1 187 GLU H 1 188 ALA CB 5.000 . 7.000 5.213 4.948 5.411 . 0 0 "[ . 1 . 2]" 4
289 1 189 LYS CE 1 190 LEU H 5.000 . 7.000 6.523 5.866 6.930 . 0 0 "[ . 1 . 2]" 4
290 1 193 SER HB2 1 194 GLN HE21 5.000 . 6.000 4.951 3.872 6.009 0.009 3 0 "[ . 1 . 2]" 4
291 1 193 SER HB2 1 194 GLN HE22 5.000 . 6.000 5.267 4.293 6.008 0.008 20 0 "[ . 1 . 2]" 4
292 1 193 SER HB3 1 194 GLN HE21 5.000 . 6.000 4.871 2.303 5.998 . 0 0 "[ . 1 . 2]" 4
293 1 193 SER HB3 1 194 GLN HE22 5.000 . 6.000 5.145 3.256 6.001 0.001 10 0 "[ . 1 . 2]" 4
294 1 194 GLN HG2 1 195 GLY H 4.000 . 5.000 5.077 4.304 5.674 0.674 3 2 "[ + . 1 -. 2]" 4
295 1 194 GLN HG3 1 195 GLY H 5.000 . 6.000 4.907 4.553 5.063 . 0 0 "[ . 1 . 2]" 4
296 1 198 ILE HG12 1 199 TYR H 4.000 . 5.000 4.027 2.461 5.062 0.062 18 0 "[ . 1 . 2]" 4
297 1 198 ILE HG13 1 199 TYR H 4.000 . 5.000 3.210 1.846 5.092 0.092 14 0 "[ . 1 . 2]" 4
298 1 198 ILE CG1 1 199 TYR CG 3.000 . 6.700 4.941 4.431 5.879 . 0 0 "[ . 1 . 2]" 4
299 1 198 ILE CG1 1 199 TYR CZ 3.000 . 6.700 5.367 4.563 5.994 . 0 0 "[ . 1 . 2]" 4
300 1 198 ILE CG2 1 199 TYR H 5.000 . 7.000 4.702 3.896 5.026 . 0 0 "[ . 1 . 2]" 4
301 1 198 ILE CG2 1 199 TYR CG 5.000 . 9.000 6.476 3.880 7.097 . 0 0 "[ . 1 . 2]" 4
302 1 198 ILE CG2 1 199 TYR CZ 4.000 . 8.000 7.101 2.991 8.031 0.031 17 0 "[ . 1 . 2]" 4
303 1 198 ILE CD1 1 199 TYR H 5.000 . 7.000 4.754 3.569 6.081 . 0 0 "[ . 1 . 2]" 4
304 1 198 ILE CD1 1 199 TYR CG 4.000 . 8.000 5.255 3.836 6.674 . 0 0 "[ . 1 . 2]" 4
305 1 198 ILE CD1 1 199 TYR CZ 4.000 . 8.000 4.985 4.166 5.457 . 0 0 "[ . 1 . 2]" 4
306 1 199 TYR H 1 200 ILE HA 5.000 . 6.000 4.834 4.396 5.549 . 0 0 "[ . 1 . 2]" 4
307 1 199 TYR CG 1 200 ILE H 3.000 . 5.700 4.778 4.641 4.941 . 0 0 "[ . 1 . 2]" 4
308 1 199 TYR CZ 1 200 ILE H 5.000 . 8.000 7.428 7.274 7.562 . 0 0 "[ . 1 . 2]" 4
309 1 200 ILE HG12 1 201 GLU H 5.000 . 6.000 4.867 4.400 5.105 . 0 0 "[ . 1 . 2]" 4
310 1 200 ILE HG13 1 201 GLU H 5.000 . 6.000 4.852 4.275 5.155 . 0 0 "[ . 1 . 2]" 4
311 1 200 ILE CG2 1 201 GLU H 2.500 . 3.700 3.652 2.191 3.788 0.088 17 0 "[ . 1 . 2]" 4
312 1 200 ILE CD1 1 201 GLU H 5.000 . 7.000 6.067 4.709 6.196 . 0 0 "[ . 1 . 2]" 4
313 1 201 GLU CG 1 202 ASN H 4.000 . 6.000 3.869 3.544 4.460 . 0 0 "[ . 1 . 2]" 4
314 1 203 LYS HG2 1 204 GLU H 5.000 . 6.000 4.780 4.051 5.046 . 0 0 "[ . 1 . 2]" 4
315 1 203 LYS HG3 1 204 GLU H 5.000 . 6.000 4.769 2.426 5.859 . 0 0 "[ . 1 . 2]" 4
316 1 203 LYS CD 1 204 GLU H 4.000 . 6.000 5.347 3.802 5.920 . 0 0 "[ . 1 . 2]" 4
317 1 204 GLU H 1 205 GLU HA 4.000 . 5.000 4.766 4.061 5.008 0.008 9 0 "[ . 1 . 2]" 4
318 1 205 GLU H 1 206 LYS HA 5.000 . 6.000 5.061 4.138 5.261 . 0 0 "[ . 1 . 2]" 4
319 1 205 GLU H 1 206 LYS CD 5.000 . 7.000 5.978 4.490 6.648 . 0 0 "[ . 1 . 2]" 4
320 1 205 GLU H 1 206 LYS CE 5.000 . 7.000 6.152 3.272 7.001 0.001 16 0 "[ . 1 . 2]" 4
321 1 206 LYS HG2 1 207 THR H 5.000 . 6.000 4.658 2.766 5.476 . 0 0 "[ . 1 . 2]" 4
322 1 206 LYS HG3 1 207 THR H 5.000 . 6.000 3.941 2.792 5.608 . 0 0 "[ . 1 . 2]" 4
323 1 206 LYS HD2 1 207 THR H 5.000 . 6.000 5.221 4.519 6.036 0.036 1 0 "[ . 1 . 2]" 4
324 1 206 LYS HD3 1 207 THR H 5.000 . 6.000 5.193 3.732 6.028 0.028 13 0 "[ . 1 . 2]" 4
325 1 206 LYS CE 1 207 THR H 4.000 . 6.000 4.666 3.577 6.009 0.009 16 0 "[ . 1 . 2]" 4
326 1 207 THR HA 1 208 PRO CG 5.000 . 7.000 4.079 3.971 4.217 . 0 0 "[ . 1 . 2]" 4
327 1 207 THR HB 1 208 PRO CG 5.000 . 7.000 3.791 3.395 4.209 . 0 0 "[ . 1 . 2]" 4
328 1 211 VAL HA 1 212 ALA CB 5.000 . 7.000 5.579 5.558 5.599 . 0 0 "[ . 1 . 2]" 4
329 1 211 VAL CG1 1 212 ALA H 3.000 . 4.700 3.440 3.427 3.458 . 0 0 "[ . 1 . 2]" 4
330 1 211 VAL CG2 1 212 ALA H 3.000 . 4.700 4.760 4.755 4.765 0.065 5 0 "[ . 1 . 2]" 4
331 1 213 LYS HD2 1 214 GLY H 5.000 . 6.000 5.026 4.607 5.497 . 0 0 "[ . 1 . 2]" 4
332 1 213 LYS HD3 1 214 GLY H 5.000 . 6.000 5.573 4.789 6.006 0.006 16 0 "[ . 1 . 2]" 4
333 1 221 LYS CE 1 222 ARG H 5.000 . 7.000 5.630 4.287 6.942 . 0 0 "[ . 1 . 2]" 4
334 1 222 ARG HG2 1 223 MET H 3.000 . 3.700 2.704 1.924 3.004 . 0 0 "[ . 1 . 2]" 4
335 1 222 ARG HG3 1 223 MET H 3.000 . 3.700 2.316 1.948 2.857 . 0 0 "[ . 1 . 2]" 4
336 1 222 ARG CD 1 223 MET H 4.000 . 6.000 4.212 4.022 4.489 . 0 0 "[ . 1 . 2]" 4
337 1 224 VAL CG1 1 225 GLU H 3.000 . 4.700 4.172 2.700 4.315 . 0 0 "[ . 1 . 2]" 4
338 1 224 VAL CG2 1 225 GLU H 3.000 . 4.700 4.315 4.201 4.403 . 0 0 "[ . 1 . 2]" 4
339 1 224 VAL H 1 225 GLU HA 4.000 . 5.000 4.970 4.868 5.029 0.029 14 0 "[ . 1 . 2]" 4
340 1 225 GLU H 1 226 GLY HA2 3.000 . 3.700 3.803 3.763 3.816 0.116 2 0 "[ . 1 . 2]" 4
341 1 225 GLU H 1 226 GLY HA3 3.000 . 3.700 3.817 3.782 3.852 0.152 18 0 "[ . 1 . 2]" 4
342 1 2 GLU H 1 2 GLU HA 3.000 . 3.700 2.906 2.808 2.947 . 0 0 "[ . 1 . 2]" 4
343 1 2 GLU H 1 2 GLU HB2 2.500 . 2.900 2.458 2.158 2.906 0.006 15 0 "[ . 1 . 2]" 4
344 1 2 GLU H 1 2 GLU HB3 2.500 . 2.900 2.877 2.636 2.932 0.032 9 0 "[ . 1 . 2]" 4
345 1 4 CYS H 1 4 CYS HA 3.000 . 3.700 2.697 2.271 2.941 . 0 0 "[ . 1 . 2]" 4
346 1 4 CYS H 1 4 CYS HB2 4.000 . 5.000 3.319 2.371 3.794 . 0 0 "[ . 1 . 2]" 4
347 1 4 CYS H 1 4 CYS HB3 4.000 . 5.000 3.552 2.764 4.113 . 0 0 "[ . 1 . 2]" 4
348 1 4 CYS HA 1 4 CYS HB2 3.000 . 3.700 2.828 2.429 3.029 . 0 0 "[ . 1 . 2]" 4
349 1 4 CYS HA 1 4 CYS HB3 3.000 . 3.700 2.452 2.234 2.574 . 0 0 "[ . 1 . 2]" 4
350 1 5 VAL CG1 1 5 VAL H 2.500 . 3.700 3.443 2.794 3.929 0.229 16 0 "[ . 1 . 2]" 4
351 1 5 VAL CG2 1 5 VAL H 2.500 . 3.700 2.571 2.409 3.153 . 0 0 "[ . 1 . 2]" 4
352 1 6 SER H 1 6 SER HA 3.000 . 3.700 2.870 2.718 2.930 . 0 0 "[ . 1 . 2]" 4
353 1 8 LEU H 1 8 LEU MD2 4.000 . 5.000 3.128 1.925 4.082 . 0 0 "[ . 1 . 2]" 4
354 1 10 VAL H 1 10 VAL HB 3.000 . 3.700 3.338 2.656 3.627 . 0 0 "[ . 1 . 2]" 4
355 1 10 VAL HA 1 10 VAL HB 2.500 . 2.900 2.652 2.469 3.000 0.100 4 0 "[ . 1 . 2]" 4
356 1 11 CYS H 1 11 CYS HA 3.000 . 3.700 2.829 2.810 2.859 . 0 0 "[ . 1 . 2]" 4
357 1 12 ASN H 1 12 ASN HD21 5.000 . 6.000 3.445 1.864 4.132 . 0 0 "[ . 1 . 2]" 4
358 1 12 ASN H 1 12 ASN HD22 5.000 . 6.000 3.609 2.853 4.109 . 0 0 "[ . 1 . 2]" 4
359 1 12 ASN HA 1 12 ASN HD21 4.000 . 5.000 4.236 3.533 4.591 . 0 0 "[ . 1 . 2]" 4
360 1 12 ASN HA 1 12 ASN HD22 4.000 . 5.000 4.879 4.468 5.070 0.070 14 0 "[ . 1 . 2]" 4
361 1 14 ALA CB 1 14 ALA H 2.500 . 3.700 2.531 2.521 2.544 . 0 0 "[ . 1 . 2]" 4
362 1 15 TYR H 1 15 TYR HB2 3.000 . 3.700 2.285 2.186 2.367 . 0 0 "[ . 1 . 2]" 4
363 1 15 TYR H 1 15 TYR HB3 3.000 . 3.700 2.772 2.678 2.904 . 0 0 "[ . 1 . 2]" 4
364 1 15 TYR CG 1 15 TYR H 2.500 . 4.700 3.966 3.905 4.010 . 0 0 "[ . 1 . 2]" 4
365 1 15 TYR CZ 1 15 TYR H 4.000 . 7.000 6.697 6.589 6.769 . 0 0 "[ . 1 . 2]" 4
366 1 16 SER H 1 16 SER HB2 4.000 . 5.000 2.426 2.182 3.592 . 0 0 "[ . 1 . 2]" 4
367 1 16 SER H 1 16 SER HB3 4.000 . 5.000 3.230 2.403 3.634 . 0 0 "[ . 1 . 2]" 4
368 1 16 SER HA 1 16 SER HB2 3.000 . 3.700 2.832 2.408 3.029 . 0 0 "[ . 1 . 2]" 4
369 1 16 SER HA 1 16 SER HB3 3.000 . 3.700 2.737 2.239 3.023 . 0 0 "[ . 1 . 2]" 4
370 1 17 GLY H 1 17 GLY HA2 2.500 . 2.700 2.337 2.313 2.368 . 0 0 "[ . 1 . 2]" 4
371 1 17 GLY H 1 17 GLY HA3 2.500 . 2.700 2.881 2.861 2.900 0.200 16 0 "[ . 1 . 2]" 4
372 1 18 LYS H 1 18 LYS HA 2.500 . 2.900 2.865 2.820 2.939 0.039 12 0 "[ . 1 . 2]" 4
373 1 18 LYS H 1 18 LYS HG2 3.000 . 3.700 3.076 1.961 3.865 0.165 13 0 "[ . 1 . 2]" 4
374 1 18 LYS H 1 18 LYS HG3 3.000 . 3.700 2.688 2.203 3.155 . 0 0 "[ . 1 . 2]" 4
375 1 18 LYS CD 1 18 LYS H 3.000 . 4.700 4.239 2.494 4.717 0.017 12 0 "[ . 1 . 2]" 4
376 1 18 LYS CE 1 18 LYS H 4.000 . 6.000 5.015 3.936 5.817 . 0 0 "[ . 1 . 2]" 4
377 1 18 LYS CD 1 18 LYS HA 3.000 . 4.700 3.918 3.281 4.567 . 0 0 "[ . 1 . 2]" 4
378 1 18 LYS CE 1 18 LYS HA 5.000 . 7.000 4.886 3.781 5.275 . 0 0 "[ . 1 . 2]" 4
379 1 18 LYS CE 1 18 LYS HG2 2.500 . 3.700 2.773 2.458 3.309 . 0 0 "[ . 1 . 2]" 4
380 1 18 LYS CE 1 18 LYS HG3 2.500 . 3.700 2.806 2.477 3.389 . 0 0 "[ . 1 . 2]" 4
381 1 19 LEU H 1 19 LEU HA 3.000 . 3.700 2.797 2.748 2.859 . 0 0 "[ . 1 . 2]" 4
382 1 19 LEU H 1 19 LEU HB2 3.000 . 3.700 2.480 2.380 2.553 . 0 0 "[ . 1 . 2]" 4
383 1 19 LEU H 1 19 LEU HB3 3.000 . 3.700 2.442 2.314 2.566 . 0 0 "[ . 1 . 2]" 4
384 1 19 LEU CD1 1 19 LEU H 3.000 . 4.700 4.770 4.737 4.838 0.138 4 0 "[ . 1 . 2]" 4
385 1 19 LEU CD2 1 19 LEU H 3.000 . 4.700 4.749 4.640 4.806 0.106 17 0 "[ . 1 . 2]" 4
386 1 19 LEU CD1 1 19 LEU HA 3.000 . 4.700 3.319 2.968 3.809 . 0 0 "[ . 1 . 2]" 4
387 1 19 LEU CD2 1 19 LEU HA 3.000 . 4.700 3.569 2.399 4.304 . 0 0 "[ . 1 . 2]" 4
388 1 21 GLU CB 1 21 GLU H 2.500 . 3.700 2.540 2.535 2.548 . 0 0 "[ . 1 . 2]" 4
389 1 23 LYS H 1 23 LYS HA 3.000 . 3.700 2.812 2.784 2.839 . 0 0 "[ . 1 . 2]" 4
390 1 23 LYS CB 1 23 LYS H 2.500 . 3.700 2.537 2.532 2.544 . 0 0 "[ . 1 . 2]" 4
391 1 23 LYS H 1 23 LYS HG2 3.000 . 3.700 2.845 1.972 3.510 . 0 0 "[ . 1 . 2]" 4
392 1 23 LYS H 1 23 LYS HG3 3.000 . 3.700 2.728 2.446 3.467 . 0 0 "[ . 1 . 2]" 4
393 1 23 LYS CD 1 23 LYS H 3.000 . 4.700 4.317 3.608 4.685 . 0 0 "[ . 1 . 2]" 4
394 1 23 LYS H 1 23 LYS HE2 4.000 . 5.000 4.920 4.714 5.006 0.006 16 0 "[ . 1 . 2]" 4
395 1 23 LYS H 1 23 LYS HE3 4.000 . 5.000 4.862 4.564 5.010 0.010 16 0 "[ . 1 . 2]" 4
396 1 23 LYS CD 1 23 LYS HA 3.000 . 4.700 3.727 2.852 3.916 . 0 0 "[ . 1 . 2]" 4
397 1 23 LYS CE 1 23 LYS HA 5.000 . 7.000 5.021 4.365 5.220 . 0 0 "[ . 1 . 2]" 4
398 1 23 LYS CE 1 23 LYS HG2 3.000 . 4.700 3.212 2.654 3.415 . 0 0 "[ . 1 . 2]" 4
399 1 23 LYS CE 1 23 LYS HG3 3.000 . 4.700 2.529 2.465 2.819 . 0 0 "[ . 1 . 2]" 4
400 1 24 GLU CB 1 24 GLU H 2.500 . 3.700 2.538 2.523 2.542 . 0 0 "[ . 1 . 2]" 4
401 1 24 GLU H 1 24 GLU HG2 4.000 . 5.000 2.765 1.982 3.727 . 0 0 "[ . 1 . 2]" 4
402 1 24 GLU H 1 24 GLU HG3 3.000 . 3.700 3.170 2.553 3.719 0.019 4 0 "[ . 1 . 2]" 4
403 1 26 ILE H 1 26 ILE HG12 4.000 . 5.000 3.325 1.991 3.629 . 0 0 "[ . 1 . 2]" 4
404 1 26 ILE H 1 26 ILE HG13 4.000 . 5.000 2.459 2.251 3.652 . 0 0 "[ . 1 . 2]" 4
405 1 26 ILE CD1 1 26 ILE HB 3.000 . 4.700 2.887 2.777 3.463 . 0 0 "[ . 1 . 2]" 4
406 1 27 LEU H 1 27 LEU HA 3.000 . 3.700 2.811 2.803 2.823 . 0 0 "[ . 1 . 2]" 4
407 1 27 LEU H 1 27 LEU HB3 3.000 . 3.700 3.486 3.386 3.554 . 0 0 "[ . 1 . 2]" 4
408 1 27 LEU H 1 27 LEU HB2 2.500 . 2.700 2.199 2.102 2.320 . 0 0 "[ . 1 . 2]" 4
409 1 27 LEU H 1 27 LEU HG 3.000 . 3.700 3.078 2.683 3.714 0.014 7 0 "[ . 1 . 2]" 4
410 1 28 ALA H 1 28 ALA HA 2.500 . 2.700 2.815 2.798 2.821 0.121 9 0 "[ . 1 . 2]" 4
411 1 28 ALA CB 1 28 ALA H 2.500 . 3.700 2.532 2.523 2.538 . 0 0 "[ . 1 . 2]" 4
412 1 29 ASP H 1 29 ASP HB2 2.500 . 2.700 2.863 2.854 2.886 0.186 4 0 "[ . 1 . 2]" 4
413 1 29 ASP H 1 29 ASP HB3 2.500 . 2.700 2.780 2.765 2.788 0.088 17 0 "[ . 1 . 2]" 4
414 1 30 LYS H 1 30 LYS HA 2.500 . 2.700 2.827 2.813 2.837 0.137 3 0 "[ . 1 . 2]" 4
415 1 30 LYS CB 1 30 LYS H 2.500 . 3.700 2.571 2.562 2.579 . 0 0 "[ . 1 . 2]" 4
416 1 30 LYS CG 1 30 LYS H 3.000 . 4.700 3.606 2.596 4.072 . 0 0 "[ . 1 . 2]" 4
417 1 30 LYS CD 1 30 LYS H 4.000 . 6.000 4.498 3.328 4.986 . 0 0 "[ . 1 . 2]" 4
418 1 30 LYS CE 1 30 LYS H 5.000 . 7.000 5.496 3.012 6.271 . 0 0 "[ . 1 . 2]" 4
419 1 31 SER H 1 31 SER HA 2.500 . 2.700 2.790 2.769 2.805 0.105 15 0 "[ . 1 . 2]" 4
420 1 34 THR H 1 34 THR HA 3.000 . 3.700 2.945 2.931 2.951 . 0 0 "[ . 1 . 2]" 4
421 1 34 THR CG2 1 34 THR H 2.500 . 3.700 3.442 3.259 3.636 . 0 0 "[ . 1 . 2]" 4
422 1 35 ARG H 1 35 ARG HB2 3.000 . 3.700 2.234 2.067 2.510 . 0 0 "[ . 1 . 2]" 4
423 1 35 ARG H 1 35 ARG HB3 3.000 . 3.700 2.991 2.606 3.498 . 0 0 "[ . 1 . 2]" 4
424 1 35 ARG CG 1 35 ARG H 3.000 . 4.700 3.912 3.446 4.066 . 0 0 "[ . 1 . 2]" 4
425 1 35 ARG H 1 35 ARG HD2 5.000 . 6.000 4.716 3.906 5.751 . 0 0 "[ . 1 . 2]" 4
426 1 35 ARG H 1 35 ARG HD3 5.000 . 6.000 4.442 3.499 5.640 . 0 0 "[ . 1 . 2]" 4
427 1 35 ARG HA 1 35 ARG HD2 4.000 . 5.000 2.813 1.913 3.724 . 0 0 "[ . 1 . 2]" 4
428 1 35 ARG HA 1 35 ARG HD3 3.000 . 3.700 2.874 1.962 4.040 0.340 17 0 "[ . 1 . 2]" 4
429 1 36 THR H 1 36 THR HB 4.000 . 5.000 3.415 2.936 3.677 . 0 0 "[ . 1 . 2]" 4
430 1 36 THR CG2 1 36 THR H 2.500 . 3.700 3.514 2.760 3.778 0.078 5 0 "[ . 1 . 2]" 4
431 1 36 THR CG2 1 36 THR HA 3.000 . 4.700 2.734 2.483 3.456 . 0 0 "[ . 1 . 2]" 4
432 1 37 ASP H 1 37 ASP HB2 4.000 . 5.000 2.978 2.123 3.611 . 0 0 "[ . 1 . 2]" 4
433 1 37 ASP H 1 37 ASP HB3 4.000 . 5.000 3.347 2.877 3.915 . 0 0 "[ . 1 . 2]" 4
434 1 38 GLN H 1 38 GLN HG2 4.000 . 5.000 3.868 2.147 5.040 0.040 13 0 "[ . 1 . 2]" 4
435 1 38 GLN H 1 38 GLN HG3 4.000 . 5.000 3.326 1.944 4.772 . 0 0 "[ . 1 . 2]" 4
436 1 38 GLN HA 1 38 GLN HE21 5.000 . 6.000 4.571 2.739 5.159 . 0 0 "[ . 1 . 2]" 4
437 1 38 GLN HA 1 38 GLN HE22 5.000 . 6.000 5.562 3.815 6.015 0.015 9 0 "[ . 1 . 2]" 4
438 1 38 GLN HB2 1 38 GLN HE22 5.000 . 6.000 4.066 3.230 5.274 . 0 0 "[ . 1 . 2]" 4
439 1 38 GLN HB3 1 38 GLN HE22 5.000 . 6.000 4.338 3.507 4.930 . 0 0 "[ . 1 . 2]" 4
440 1 38 GLN HE22 1 38 GLN HG2 4.000 . 5.000 3.858 3.436 4.098 . 0 0 "[ . 1 . 2]" 4
441 1 38 GLN HE22 1 38 GLN HG3 4.000 . 5.000 3.682 3.439 4.098 . 0 0 "[ . 1 . 2]" 4
442 1 39 ASP H 1 39 ASP HA 3.000 . 3.700 2.929 2.887 2.950 . 0 0 "[ . 1 . 2]" 4
443 1 40 SER H 1 40 SER HA 3.000 . 3.700 2.275 2.260 2.301 . 0 0 "[ . 1 . 2]" 4
444 1 42 THR H 1 42 THR HG1 3.000 . 3.700 2.781 2.355 3.475 . 0 0 "[ . 1 . 2]" 4
445 1 42 THR CG2 1 42 THR H 2.500 . 3.700 2.853 2.432 3.226 . 0 0 "[ . 1 . 2]" 4
446 1 42 THR CG2 1 42 THR HG1 3.000 . 4.700 2.611 2.292 2.899 . 0 0 "[ . 1 . 2]" 4
447 1 43 ALA H 1 43 ALA HA 3.000 . 3.700 2.752 2.739 2.771 . 0 0 "[ . 1 . 2]" 4
448 1 44 LEU CB 1 44 LEU H 3.000 . 4.700 2.535 2.512 2.604 . 0 0 "[ . 1 . 2]" 4
449 1 45 HIS H 1 45 HIS HA 3.000 . 3.700 2.802 2.788 2.814 . 0 0 "[ . 1 . 2]" 4
450 1 45 HIS H 1 45 HIS HD2 5.000 . 6.000 4.839 4.615 5.103 . 0 0 "[ . 1 . 2]" 4
451 1 45 HIS H 1 45 HIS HE1 5.000 . 6.000 4.626 4.410 4.716 . 0 0 "[ . 1 . 2]" 4
452 1 47 ALA H 1 47 ALA HA 3.000 . 3.700 2.826 2.808 2.845 . 0 0 "[ . 1 . 2]" 4
453 1 47 ALA CB 1 47 ALA H 2.500 . 3.700 2.533 2.528 2.545 . 0 0 "[ . 1 . 2]" 4
454 1 48 CYS H 1 48 CYS HA 3.000 . 3.700 2.808 2.799 2.814 . 0 0 "[ . 1 . 2]" 4
455 1 48 CYS H 1 48 CYS HB2 3.000 . 3.700 2.628 2.332 3.581 . 0 0 "[ . 1 . 2]" 4
456 1 48 CYS H 1 48 CYS HB3 3.000 . 3.700 3.411 2.430 3.592 . 0 0 "[ . 1 . 2]" 4
457 1 48 CYS H 1 48 CYS HG 2.500 . 2.900 2.642 2.335 2.908 0.008 11 0 "[ . 1 . 2]" 4
458 1 50 ALA H 1 50 ALA HA 3.000 . 3.700 2.879 2.840 2.908 . 0 0 "[ . 1 . 2]" 4
459 1 50 ALA CB 1 50 ALA H 2.500 . 3.700 2.567 2.540 2.601 . 0 0 "[ . 1 . 2]" 4
460 1 52 HIS H 1 52 HIS HA 2.500 . 2.900 2.799 2.579 2.932 0.032 11 0 "[ . 1 . 2]" 4
461 1 52 HIS H 1 52 HIS HB2 3.000 . 3.700 2.588 2.397 2.838 . 0 0 "[ . 1 . 2]" 4
462 1 52 HIS H 1 52 HIS HB3 3.000 . 3.700 3.627 3.595 3.702 0.002 9 0 "[ . 1 . 2]" 4
463 1 52 HIS H 1 52 HIS HD2 4.000 . 5.000 3.275 2.858 3.590 . 0 0 "[ . 1 . 2]" 4
464 1 52 HIS H 1 52 HIS HE1 5.000 . 6.000 5.462 4.724 6.036 0.036 18 0 "[ . 1 . 2]" 4
465 1 53 THR CG2 1 53 THR H 4.000 . 6.000 3.375 2.691 4.045 . 0 0 "[ . 1 . 2]" 4
466 1 53 THR HA 1 53 THR HB 3.000 . 3.700 2.718 2.418 3.024 . 0 0 "[ . 1 . 2]" 4
467 1 54 GLU H 1 54 GLU HB2 3.000 . 3.700 2.322 2.061 3.595 . 0 0 "[ . 1 . 2]" 4
468 1 54 GLU H 1 54 GLU HB3 3.000 . 3.700 3.382 2.499 3.597 . 0 0 "[ . 1 . 2]" 4
469 1 54 GLU CG 1 54 GLU H 3.000 . 4.700 3.254 2.805 3.846 . 0 0 "[ . 1 . 2]" 4
470 1 55 ILE H 1 55 ILE HA 3.000 . 3.700 2.860 2.852 2.865 . 0 0 "[ . 1 . 2]" 4
471 1 56 VAL H 1 56 VAL HA 3.000 . 3.700 2.825 2.803 2.856 . 0 0 "[ . 1 . 2]" 4
472 1 56 VAL CG1 1 56 VAL H 2.500 . 3.900 3.395 2.616 4.029 0.129 3 0 "[ . 1 . 2]" 4
473 1 56 VAL CG2 1 56 VAL H 2.500 . 3.900 2.642 2.295 4.034 0.134 14 0 "[ . 1 . 2]" 4
474 1 57 GLU H 1 57 GLU HA 3.000 . 3.700 2.831 2.801 2.853 . 0 0 "[ . 1 . 2]" 4
475 1 58 PHE H 1 58 PHE HB2 2.500 . 2.700 2.751 2.736 2.777 0.077 15 0 "[ . 1 . 2]" 4
476 1 58 PHE H 1 58 PHE HB3 2.500 . 2.700 2.287 2.241 2.320 . 0 0 "[ . 1 . 2]" 4
477 1 59 LEU H 1 59 LEU HA 3.000 . 3.700 2.838 2.825 2.852 . 0 0 "[ . 1 . 2]" 4
478 1 61 GLN H 1 61 GLN HA 2.500 . 2.900 2.748 2.742 2.764 . 0 0 "[ . 1 . 2]" 4
479 1 61 GLN H 1 61 GLN HB2 2.500 . 2.900 3.270 3.201 3.351 0.451 13 0 "[ . 1 . 2]" 4
480 1 61 GLN H 1 61 GLN HB3 2.500 . 2.900 1.977 1.901 2.111 . 0 0 "[ . 1 . 2]" 4
481 1 61 GLN H 1 61 GLN HG2 3.000 . 3.700 2.831 2.530 3.079 . 0 0 "[ . 1 . 2]" 4
482 1 61 GLN H 1 61 GLN HG3 3.000 . 3.700 3.834 3.702 3.915 0.215 10 0 "[ . 1 . 2]" 4
483 1 61 GLN H 1 61 GLN NE2 5.000 . 7.000 5.215 5.002 5.403 . 0 0 "[ . 1 . 2]" 4
484 1 61 GLN HA 1 61 GLN HG2 3.000 . 3.700 3.803 3.766 3.842 0.142 2 0 "[ . 1 . 2]" 4
485 1 61 GLN HA 1 61 GLN HG3 3.000 . 3.700 3.471 3.337 3.625 . 0 0 "[ . 1 . 2]" 4
486 1 61 GLN HE21 1 61 GLN HG2 3.000 . 3.700 2.462 2.362 2.704 . 0 0 "[ . 1 . 2]" 4
487 1 61 GLN HE22 1 61 GLN HG2 3.000 . 3.700 3.577 3.534 3.681 . 0 0 "[ . 1 . 2]" 4
488 1 61 GLN HE21 1 61 GLN HG3 3.000 . 3.700 2.649 2.404 2.758 . 0 0 "[ . 1 . 2]" 4
489 1 61 GLN HE22 1 61 GLN HG3 3.000 . 3.700 3.658 3.552 3.705 0.005 2 0 "[ . 1 . 2]" 4
490 1 62 LEU H 1 62 LEU HB3 3.000 . 3.700 3.558 3.450 3.617 . 0 0 "[ . 1 . 2]" 4
491 1 62 LEU H 1 62 LEU HB2 2.500 . 2.700 2.345 2.138 2.496 . 0 0 "[ . 1 . 2]" 4
492 1 62 LEU H 1 62 LEU HG 3.000 . 3.700 2.662 2.413 3.147 . 0 0 "[ . 1 . 2]" 4
493 1 62 LEU CD1 1 62 LEU H 3.000 . 4.700 3.860 3.485 4.321 . 0 0 "[ . 1 . 2]" 4
494 1 62 LEU CD2 1 62 LEU H 3.000 . 4.700 4.354 4.174 4.654 . 0 0 "[ . 1 . 2]" 4
495 1 64 VAL H 1 64 VAL HA 3.000 . 3.700 2.844 2.809 2.890 . 0 0 "[ . 1 . 2]" 4
496 1 64 VAL H 1 64 VAL HB 3.000 . 3.700 2.759 2.217 3.637 . 0 0 "[ . 1 . 2]" 4
497 1 64 VAL CG1 1 64 VAL H 2.500 . 3.900 3.311 2.668 4.027 0.127 3 0 "[ . 1 . 2]" 4
498 1 64 VAL CG2 1 64 VAL H 2.500 . 3.900 3.184 2.625 3.992 0.092 6 0 "[ . 1 . 2]" 4
499 1 66 VAL H 1 66 VAL HA 3.000 . 3.700 2.942 2.893 2.950 . 0 0 "[ . 1 . 2]" 4
500 1 66 VAL H 1 66 VAL HB 4.000 . 5.000 3.355 2.793 3.848 . 0 0 "[ . 1 . 2]" 4
501 1 66 VAL HA 1 66 VAL HB 2.500 . 2.900 2.543 2.403 3.000 0.100 8 0 "[ . 1 . 2]" 4
502 1 67 ASN H 1 67 ASN HA 3.000 . 3.700 2.897 2.842 2.951 . 0 0 "[ . 1 . 2]" 4
503 1 67 ASN H 1 67 ASN HB3 4.000 . 5.000 3.609 3.485 3.782 . 0 0 "[ . 1 . 2]" 4
504 1 67 ASN H 1 67 ASN HB2 3.000 . 3.700 2.485 2.181 2.827 . 0 0 "[ . 1 . 2]" 4
505 1 67 ASN H 1 67 ASN HD21 3.000 . 3.700 2.913 1.962 3.715 0.015 15 0 "[ . 1 . 2]" 4
506 1 67 ASN H 1 67 ASN HD22 4.000 . 5.000 3.969 3.513 4.387 . 0 0 "[ . 1 . 2]" 4
507 1 67 ASN HA 1 67 ASN HB3 2.500 . 2.700 2.502 2.325 2.676 . 0 0 "[ . 1 . 2]" 4
508 1 67 ASN HA 1 67 ASN HD22 5.000 . 6.000 3.768 3.434 4.153 . 0 0 "[ . 1 . 2]" 4
509 1 67 ASN HB3 1 67 ASN HD21 3.000 . 3.700 3.120 2.434 3.554 . 0 0 "[ . 1 . 2]" 4
510 1 67 ASN HB3 1 67 ASN HD22 4.000 . 5.000 3.886 3.561 4.097 . 0 0 "[ . 1 . 2]" 4
511 1 67 ASN HB2 1 67 ASN HD21 3.000 . 3.700 3.002 2.351 3.548 . 0 0 "[ . 1 . 2]" 4
512 1 67 ASN HB2 1 67 ASN HD22 4.000 . 5.000 3.830 3.525 4.095 . 0 0 "[ . 1 . 2]" 4
513 1 68 ASP H 1 68 ASP HA 2.500 . 2.700 2.768 2.726 2.809 0.109 8 0 "[ . 1 . 2]" 4
514 1 69 LYS CE 1 69 LYS H 4.000 . 6.000 4.798 3.409 5.976 . 0 0 "[ . 1 . 2]" 4
515 1 72 ALA H 1 72 ALA HA 3.000 . 3.700 2.746 2.600 2.941 . 0 0 "[ . 1 . 2]" 4
516 1 72 ALA CB 1 72 ALA H 2.500 . 3.700 3.157 2.683 3.283 . 0 0 "[ . 1 . 2]" 4
517 1 74 TRP H 1 74 TRP HA 3.000 . 3.700 2.366 2.251 2.933 . 0 0 "[ . 1 . 2]" 4
518 1 74 TRP H 1 74 TRP HB2 3.000 . 3.700 3.591 2.224 3.859 0.159 1 0 "[ . 1 . 2]" 4
519 1 74 TRP H 1 74 TRP HB3 3.000 . 3.700 3.543 3.378 3.684 . 0 0 "[ . 1 . 2]" 4
520 1 74 TRP H 1 74 TRP HD1 3.000 . 3.700 1.984 1.692 3.396 0.108 11 0 "[ . 1 . 2]" 4
521 1 74 TRP H 1 74 TRP HE1 5.000 . 6.000 4.240 3.867 5.743 . 0 0 "[ . 1 . 2]" 4
522 1 75 SER H 1 75 SER HG 3.000 . 3.700 2.509 2.002 3.209 . 0 0 "[ . 1 . 2]" 4
523 1 78 HIS H 1 78 HIS HA 3.000 . 3.700 2.803 2.790 2.846 . 0 0 "[ . 1 . 2]" 4
524 1 78 HIS H 1 78 HIS HD2 5.000 . 6.000 5.252 4.783 5.398 . 0 0 "[ . 1 . 2]" 4
525 1 78 HIS H 1 78 HIS HE1 5.000 . 6.000 5.500 4.989 5.903 . 0 0 "[ . 1 . 2]" 4
526 1 78 HIS HA 1 78 HIS HD2 4.000 . 5.000 3.390 2.778 3.645 . 0 0 "[ . 1 . 2]" 4
527 1 80 ALA H 1 80 ALA HA 3.000 . 4.700 2.810 2.771 2.829 . 0 0 "[ . 1 . 2]" 4
528 1 80 ALA CB 1 80 ALA H 3.000 . 4.700 2.538 2.513 2.556 . 0 0 "[ . 1 . 2]" 4
529 1 81 ALA H 1 81 ALA HA 3.000 . 3.700 2.832 2.803 2.882 . 0 0 "[ . 1 . 2]" 4
530 1 83 ALA H 1 83 ALA HA 3.000 . 3.700 2.920 2.887 2.954 . 0 0 "[ . 1 . 2]" 4
531 1 83 ALA CB 1 83 ALA H 2.500 . 3.700 2.633 2.561 2.905 . 0 0 "[ . 1 . 2]" 4
532 1 84 GLY H 1 84 GLY HA2 2.500 . 2.700 2.297 2.275 2.583 . 0 0 "[ . 1 . 2]" 4
533 1 84 GLY H 1 84 GLY HA3 2.500 . 2.700 2.799 2.757 2.895 0.195 19 0 "[ . 1 . 2]" 4
534 1 85 ARG CD 1 85 ARG H 5.000 . 7.000 4.582 4.032 5.146 . 0 0 "[ . 1 . 2]" 4
535 1 86 ASP H 1 86 ASP HA 2.500 . 2.700 2.762 2.751 2.781 0.081 17 0 "[ . 1 . 2]" 4
536 1 86 ASP H 1 86 ASP HB2 3.000 . 3.700 2.334 2.054 3.548 . 0 0 "[ . 1 . 2]" 4
537 1 86 ASP H 1 86 ASP HB3 3.000 . 3.700 3.014 2.340 3.494 . 0 0 "[ . 1 . 2]" 4
538 1 87 GLU H 1 87 GLU HA 3.000 . 3.700 2.822 2.794 2.840 . 0 0 "[ . 1 . 2]" 4
539 1 88 ILE H 1 88 ILE HA 3.000 . 3.700 2.843 2.830 2.847 . 0 0 "[ . 1 . 2]" 4
540 1 88 ILE H 1 88 ILE HB 3.000 . 3.700 2.552 2.259 2.686 . 0 0 "[ . 1 . 2]" 4
541 1 88 ILE CG2 1 88 ILE H 4.000 . 6.000 4.028 3.182 4.085 . 0 0 "[ . 1 . 2]" 4
542 1 88 ILE CD1 1 88 ILE H 3.000 . 4.700 4.060 3.945 4.754 0.054 9 0 "[ . 1 . 2]" 4
543 1 88 ILE CG2 1 88 ILE HA 3.000 . 4.700 2.757 2.648 3.408 . 0 0 "[ . 1 . 2]" 4
544 1 90 LYS H 1 90 LYS HA 3.000 . 3.700 2.868 2.861 2.874 . 0 0 "[ . 1 . 2]" 4
545 1 91 ALA H 1 91 ALA HA 2.500 . 2.700 2.764 2.758 2.768 0.068 17 0 "[ . 1 . 2]" 4
546 1 91 ALA CB 1 91 ALA H 2.500 . 3.700 2.499 2.494 2.509 . 0 0 "[ . 1 . 2]" 4
547 1 92 LEU H 1 92 LEU HA 2.500 . 2.900 2.882 2.876 2.887 . 0 0 "[ . 1 . 2]" 4
548 1 94 GLY H 1 94 GLY HA2 2.500 . 2.700 2.762 2.739 2.777 0.077 12 0 "[ . 1 . 2]" 4
549 1 94 GLY H 1 94 GLY HA3 2.500 . 2.700 2.288 2.279 2.317 . 0 0 "[ . 1 . 2]" 4
550 1 95 LYS H 1 95 LYS HA 2.500 . 2.900 2.900 2.883 2.931 0.031 15 0 "[ . 1 . 2]" 4
551 1 95 LYS CD 1 95 LYS H 3.000 . 4.700 4.691 4.532 4.914 0.214 4 0 "[ . 1 . 2]" 4
552 1 95 LYS CE 1 95 LYS H 4.000 . 6.000 5.343 4.653 5.792 . 0 0 "[ . 1 . 2]" 4
553 1 95 LYS CD 1 95 LYS HA 2.500 . 3.900 3.076 2.487 4.049 0.149 7 0 "[ . 1 . 2]" 4
554 1 97 ALA H 1 97 ALA HA 2.500 . 2.900 2.714 2.301 2.793 . 0 0 "[ . 1 . 2]" 4
555 1 97 ALA CB 1 97 ALA H 2.500 . 3.700 2.584 2.530 3.250 . 0 0 "[ . 1 . 2]" 4
556 1 98 GLN H 1 98 GLN HG3 3.000 . 3.700 3.620 3.409 3.726 0.026 20 0 "[ . 1 . 2]" 4
557 1 98 GLN H 1 98 GLN HG2 3.000 . 3.700 3.629 3.470 3.725 0.025 12 0 "[ . 1 . 2]" 4
558 1 98 GLN HA 1 98 GLN HG3 3.000 . 3.700 3.351 3.268 3.429 . 0 0 "[ . 1 . 2]" 4
559 1 98 GLN HA 1 98 GLN HG2 3.000 . 3.700 2.058 2.028 2.099 . 0 0 "[ . 1 . 2]" 4
560 1 99 VAL H 1 99 VAL HA 3.000 . 3.700 2.910 2.875 2.942 . 0 0 "[ . 1 . 2]" 4
561 1 99 VAL H 1 99 VAL HB 3.000 . 3.700 3.511 2.925 3.754 0.054 16 0 "[ . 1 . 2]" 4
562 1 99 VAL HA 1 99 VAL HB 3.000 . 3.700 2.685 2.447 3.022 . 0 0 "[ . 1 . 2]" 4
563 1 100 ASN H 1 100 ASN HA 3.000 . 3.700 2.934 2.875 2.948 . 0 0 "[ . 1 . 2]" 4
564 1 100 ASN H 1 100 ASN HB2 3.000 . 3.700 3.428 2.627 3.727 0.027 8 0 "[ . 1 . 2]" 4
565 1 100 ASN H 1 100 ASN HB3 3.000 . 3.700 3.394 3.129 3.685 . 0 0 "[ . 1 . 2]" 4
566 1 100 ASN H 1 100 ASN HD21 4.000 . 5.000 3.213 2.615 3.598 . 0 0 "[ . 1 . 2]" 4
567 1 100 ASN H 1 100 ASN HD22 3.000 . 3.700 3.443 3.072 3.710 0.010 20 0 "[ . 1 . 2]" 4
568 1 100 ASN HA 1 100 ASN HD22 4.000 . 5.000 4.729 3.625 5.026 0.026 18 0 "[ . 1 . 2]" 4
569 1 101 ALA H 1 101 ALA HA 2.500 . 2.700 2.749 2.730 2.770 0.070 18 0 "[ . 1 . 2]" 4
570 1 102 VAL H 1 102 VAL HA 3.000 . 3.700 2.922 2.857 2.935 . 0 0 "[ . 1 . 2]" 4
571 1 102 VAL H 1 102 VAL HB 3.000 . 3.700 3.631 3.450 3.692 . 0 0 "[ . 1 . 2]" 4
572 1 102 VAL HA 1 102 VAL HB 3.000 . 3.700 2.537 2.221 2.755 . 0 0 "[ . 1 . 2]" 4
573 1 102 VAL CG1 1 102 VAL HA 3.000 . 4.700 2.618 2.440 3.215 . 0 0 "[ . 1 . 2]" 4
574 1 102 VAL CG2 1 102 VAL HA 3.000 . 4.700 3.398 3.255 3.437 . 0 0 "[ . 1 . 2]" 4
575 1 103 ASN H 1 103 ASN HA 3.000 . 3.700 2.847 2.809 2.914 . 0 0 "[ . 1 . 2]" 4
576 1 104 GLN HE21 1 104 GLN HG2 3.000 . 3.700 2.475 2.214 3.444 . 0 0 "[ . 1 . 2]" 4
577 1 104 GLN HE22 1 104 GLN HG2 3.000 . 3.700 3.576 3.465 3.976 0.276 15 0 "[ . 1 . 2]" 4
578 1 104 GLN HE21 1 104 GLN HG3 3.000 . 3.700 2.725 2.361 3.479 . 0 0 "[ . 1 . 2]" 4
579 1 104 GLN HE22 1 104 GLN HG3 3.000 . 3.700 3.686 3.534 4.001 0.301 7 0 "[ . 1 . 2]" 4
580 1 105 ASN HA 1 105 ASN HB2 2.500 . 2.700 2.704 2.388 2.846 0.146 10 0 "[ . 1 . 2]" 4
581 1 105 ASN HA 1 105 ASN HB3 2.500 . 2.700 2.655 2.316 2.828 0.128 15 0 "[ . 1 . 2]" 4
582 1 106 GLY H 1 106 GLY HA3 2.500 . 2.700 2.792 2.736 2.839 0.139 18 0 "[ . 1 . 2]" 4
583 1 106 GLY H 1 106 GLY HA2 2.500 . 2.700 2.267 2.253 2.294 . 0 0 "[ . 1 . 2]" 4
584 1 107 CYS H 1 107 CYS HA 3.000 . 3.700 2.840 2.811 2.886 . 0 0 "[ . 1 . 2]" 4
585 1 111 HIS H 1 111 HIS HA 2.500 . 2.900 2.799 2.792 2.810 . 0 0 "[ . 1 . 2]" 4
586 1 111 HIS H 1 111 HIS HB2 3.000 . 3.700 2.380 2.314 2.458 . 0 0 "[ . 1 . 2]" 4
587 1 111 HIS H 1 111 HIS HB3 3.000 . 3.700 3.570 3.556 3.584 . 0 0 "[ . 1 . 2]" 4
588 1 111 HIS H 1 111 HIS HD2 5.000 . 6.000 4.465 3.783 4.743 . 0 0 "[ . 1 . 2]" 4
589 1 111 HIS H 1 111 HIS HE1 5.000 . 6.000 4.915 4.473 5.313 . 0 0 "[ . 1 . 2]" 4
590 1 111 HIS HA 1 111 HIS HD2 3.000 . 3.700 2.787 2.377 3.306 . 0 0 "[ . 1 . 2]" 4
591 1 111 HIS HB2 1 111 HIS HD2 4.000 . 5.000 3.953 3.895 3.972 . 0 0 "[ . 1 . 2]" 4
592 1 111 HIS HB3 1 111 HIS HD2 4.000 . 5.000 3.031 2.805 3.313 . 0 0 "[ . 1 . 2]" 4
593 1 112 TYR H 1 112 TYR HA 2.500 . 2.700 2.809 2.790 2.820 0.120 10 0 "[ . 1 . 2]" 4
594 1 112 TYR CG 1 112 TYR H 2.500 . 4.700 3.047 2.970 3.102 . 0 0 "[ . 1 . 2]" 4
595 1 112 TYR CZ 1 112 TYR H 3.000 . 5.200 5.140 4.999 5.230 0.030 2 0 "[ . 1 . 2]" 4
596 1 113 ALA CB 1 113 ALA H 2.500 . 3.700 2.532 2.519 2.543 . 0 0 "[ . 1 . 2]" 4
597 1 115 SER H 1 115 SER HB2 4.000 . 5.000 2.631 2.123 3.600 . 0 0 "[ . 1 . 2]" 4
598 1 115 SER H 1 115 SER HB3 4.000 . 5.000 3.114 2.344 3.605 . 0 0 "[ . 1 . 2]" 4
599 1 116 LYS CD 1 116 LYS H 4.000 . 6.000 4.473 3.875 4.998 . 0 0 "[ . 1 . 2]" 4
600 1 116 LYS CE 1 116 LYS H 4.000 . 6.000 5.251 4.339 6.007 0.007 15 0 "[ . 1 . 2]" 4
601 1 116 LYS CD 1 116 LYS HA 4.000 . 6.000 3.240 2.717 3.774 . 0 0 "[ . 1 . 2]" 4
602 1 117 ASN HA 1 117 ASN HB2 3.000 . 3.700 2.814 2.455 2.991 . 0 0 "[ . 1 . 2]" 4
603 1 117 ASN HA 1 117 ASN HB3 3.000 . 3.700 2.739 2.373 2.968 . 0 0 "[ . 1 . 2]" 4
604 1 117 ASN HA 1 117 ASN HD22 5.000 . 6.000 4.118 3.246 5.323 . 0 0 "[ . 1 . 2]" 4
605 1 119 HIS H 1 119 HIS HA 3.000 . 3.700 2.789 2.767 2.822 . 0 0 "[ . 1 . 2]" 4
606 1 119 HIS CB 1 119 HIS H 2.500 . 3.700 2.529 2.518 2.536 . 0 0 "[ . 1 . 2]" 4
607 1 119 HIS H 1 119 HIS HD2 4.000 . 5.000 4.782 4.538 5.014 0.014 11 0 "[ . 1 . 2]" 4
608 1 119 HIS H 1 119 HIS HE1 5.000 . 6.000 4.263 4.048 4.369 . 0 0 "[ . 1 . 2]" 4
609 1 122 ALA CB 1 122 ALA H 2.500 . 3.700 2.531 2.526 2.539 . 0 0 "[ . 1 . 2]" 4
610 1 123 VAL H 1 123 VAL HA 3.000 . 3.700 2.805 2.777 2.828 . 0 0 "[ . 1 . 2]" 4
611 1 123 VAL H 1 123 VAL HB 2.500 . 2.700 2.234 2.131 2.682 . 0 0 "[ . 1 . 2]" 4
612 1 123 VAL CG1 1 123 VAL H 2.500 . 3.700 3.889 3.862 3.962 0.262 2 0 "[ . 1 . 2]" 4
613 1 123 VAL CG2 1 123 VAL H 2.500 . 3.700 3.033 2.424 3.218 . 0 0 "[ . 1 . 2]" 4
614 1 124 MET H 1 124 MET HG2 3.000 . 3.700 3.064 1.982 3.705 0.005 7 0 "[ . 1 . 2]" 4
615 1 124 MET H 1 124 MET HG3 3.000 . 3.700 2.826 1.934 3.528 . 0 0 "[ . 1 . 2]" 4
616 1 127 GLU H 1 127 GLU HA 2.500 . 2.900 2.802 2.786 2.853 . 0 0 "[ . 1 . 2]" 4
617 1 127 GLU H 1 127 GLU HB2 3.000 . 3.700 2.282 2.084 3.589 . 0 0 "[ . 1 . 2]" 4
618 1 127 GLU H 1 127 GLU HB3 3.000 . 3.700 3.455 2.520 3.541 . 0 0 "[ . 1 . 2]" 4
619 1 127 GLU H 1 127 GLU QG 3.000 . 3.700 2.796 2.216 3.194 . 0 0 "[ . 1 . 2]" 4
620 1 128 GLY H 1 128 GLY HA2 2.500 . 2.700 2.835 2.786 2.862 0.162 16 0 "[ . 1 . 2]" 4
621 1 128 GLY H 1 128 GLY HA3 2.500 . 2.700 2.296 2.271 2.312 . 0 0 "[ . 1 . 2]" 4
622 1 129 GLY H 1 129 GLY HA3 2.500 . 2.700 2.885 2.859 2.913 0.213 1 0 "[ . 1 . 2]" 4
623 1 129 GLY H 1 129 GLY HA2 2.500 . 2.700 2.326 2.272 2.516 . 0 0 "[ . 1 . 2]" 4
624 1 130 ALA H 1 130 ALA HA 3.000 . 3.700 2.825 2.784 2.956 . 0 0 "[ . 1 . 2]" 4
625 1 130 ALA CB 1 130 ALA H 2.500 . 3.900 2.562 2.527 2.773 . 0 0 "[ . 1 . 2]" 4
626 1 131 ASN CB 1 131 ASN H 2.500 . 3.700 2.549 2.539 2.563 . 0 0 "[ . 1 . 2]" 4
627 1 131 ASN H 1 131 ASN HD21 4.000 . 5.000 4.774 4.643 4.853 . 0 0 "[ . 1 . 2]" 4
628 1 131 ASN H 1 131 ASN HD22 4.000 . 5.000 4.877 4.678 4.997 . 0 0 "[ . 1 . 2]" 4
629 1 133 ASP H 1 133 ASP HA 3.000 . 3.700 2.934 2.915 2.948 . 0 0 "[ . 1 . 2]" 4
630 1 133 ASP H 1 133 ASP HB2 2.500 . 2.900 2.698 2.391 2.910 0.010 19 0 "[ . 1 . 2]" 4
631 1 133 ASP H 1 133 ASP HB3 2.500 . 2.900 2.710 2.360 2.924 0.024 5 0 "[ . 1 . 2]" 4
632 1 134 ALA CB 1 134 ALA H 2.500 . 3.700 2.528 2.514 2.549 . 0 0 "[ . 1 . 2]" 4
633 1 135 LYS CE 1 135 LYS H 3.000 . 4.700 4.320 3.094 4.708 0.008 16 0 "[ . 1 . 2]" 4
634 1 137 HIS H 1 137 HIS HA 3.000 . 3.700 2.774 2.755 2.806 . 0 0 "[ . 1 . 2]" 4
635 1 138 TYR CG 1 138 TYR H 3.000 . 5.700 2.870 2.376 3.358 . 0 0 "[ . 1 . 2]" 4
636 1 138 TYR CZ 1 138 TYR H 5.000 . 8.000 4.782 3.878 5.584 . 0 0 "[ . 1 . 2]" 4
637 1 138 TYR HA 1 138 TYR HB2 3.000 . 3.700 2.952 2.615 3.026 . 0 0 "[ . 1 . 2]" 4
638 1 138 TYR HA 1 138 TYR HB3 3.000 . 3.700 2.437 2.257 2.582 . 0 0 "[ . 1 . 2]" 4
639 1 139 GLU H 1 139 GLU HA 3.000 . 3.700 2.265 2.250 2.272 . 0 0 "[ . 1 . 2]" 4
640 1 140 ALA H 1 140 ALA HA 3.000 . 3.700 2.924 2.889 2.953 . 0 0 "[ . 1 . 2]" 4
641 1 140 ALA CB 1 140 ALA H 2.500 . 3.700 2.636 2.574 2.726 . 0 0 "[ . 1 . 2]" 4
642 1 141 THR H 1 141 THR HA 3.000 . 3.700 2.933 2.907 2.941 . 0 0 "[ . 1 . 2]" 4
643 1 141 THR H 1 141 THR HG1 3.000 . 3.700 3.454 3.065 3.706 0.006 11 0 "[ . 1 . 2]" 4
644 1 143 MET CE 1 143 MET H 5.000 . 7.000 5.848 4.976 6.317 . 0 0 "[ . 1 . 2]" 4
645 1 144 HIS H 1 144 HIS HA 3.000 . 3.700 2.784 2.773 2.798 . 0 0 "[ . 1 . 2]" 4
646 1 144 HIS H 1 144 HIS HD2 5.000 . 6.000 4.823 4.734 4.940 . 0 0 "[ . 1 . 2]" 4
647 1 144 HIS H 1 144 HIS HE1 5.000 . 6.000 4.319 4.189 4.433 . 0 0 "[ . 1 . 2]" 4
648 1 147 ALA H 1 147 ALA HA 2.500 . 2.900 2.783 2.776 2.788 . 0 0 "[ . 1 . 2]" 4
649 1 149 LYS H 1 149 LYS HA 3.000 . 3.700 2.885 2.745 2.945 . 0 0 "[ . 1 . 2]" 4
650 1 151 ASN H 1 151 ASN HA 3.000 . 3.700 2.808 2.273 2.903 . 0 0 "[ . 1 . 2]" 4
651 1 152 LEU CD1 1 152 LEU H 4.000 . 6.000 4.113 3.251 4.878 . 0 0 "[ . 1 . 2]" 4
652 1 152 LEU CD2 1 152 LEU H 4.000 . 6.000 4.467 3.060 4.955 . 0 0 "[ . 1 . 2]" 4
653 1 153 LYS H 1 153 LYS HD3 4.000 . 5.000 4.892 4.485 5.026 0.026 7 0 "[ . 1 . 2]" 4
654 1 153 LYS H 1 153 LYS HD2 4.000 . 5.000 4.871 4.459 5.014 0.014 2 0 "[ . 1 . 2]" 4
655 1 153 LYS HA 1 153 LYS HD3 4.000 . 5.000 3.223 2.180 4.567 . 0 0 "[ . 1 . 2]" 4
656 1 153 LYS HA 1 153 LYS HD2 3.000 . 3.700 3.308 2.411 3.714 0.014 15 0 "[ . 1 . 2]" 4
657 1 153 LYS HA 1 153 LYS HE2 5.000 . 6.000 4.963 4.415 5.707 . 0 0 "[ . 1 . 2]" 4
658 1 153 LYS HA 1 153 LYS HE3 5.000 . 6.000 4.769 4.430 5.279 . 0 0 "[ . 1 . 2]" 4
659 1 153 LYS CB 1 153 LYS HD3 3.000 . 4.700 2.845 2.541 3.027 . 0 0 "[ . 1 . 2]" 4
660 1 153 LYS CB 1 153 LYS HD2 3.000 . 4.700 2.643 2.506 2.971 . 0 0 "[ . 1 . 2]" 4
661 1 153 LYS HD3 1 153 LYS HE2 3.000 . 3.700 2.552 2.221 2.984 . 0 0 "[ . 1 . 2]" 4
662 1 153 LYS HD3 1 153 LYS HE3 3.000 . 3.700 2.799 2.513 2.998 . 0 0 "[ . 1 . 2]" 4
663 1 153 LYS HD2 1 153 LYS HE2 3.000 . 3.700 2.797 2.518 2.995 . 0 0 "[ . 1 . 2]" 4
664 1 153 LYS HD2 1 153 LYS HE3 3.000 . 3.700 2.550 2.217 3.009 . 0 0 "[ . 1 . 2]" 4
665 1 155 ILE CD1 1 155 ILE HA 3.000 . 4.700 3.953 2.719 4.665 . 0 0 "[ . 1 . 2]" 4
666 1 157 ILE H 1 157 ILE HA 3.000 . 3.700 2.836 2.790 2.857 . 0 0 "[ . 1 . 2]" 4
667 1 157 ILE CD1 1 157 ILE H 3.000 . 4.700 3.834 3.768 3.909 . 0 0 "[ . 1 . 2]" 4
668 1 160 TYR CG 1 160 TYR H 3.000 . 5.700 3.985 3.248 4.042 . 0 0 "[ . 1 . 2]" 4
669 1 161 TYR CG 1 161 TYR H 2.500 . 4.700 3.486 3.191 3.666 . 0 0 "[ . 1 . 2]" 4
670 1 161 TYR H 1 161 TYR HB2 3.000 . 3.700 2.217 2.130 2.356 . 0 0 "[ . 1 . 2]" 4
671 1 161 TYR H 1 161 TYR HB3 3.000 . 3.700 3.484 3.379 3.606 . 0 0 "[ . 1 . 2]" 4
672 1 162 LYS H 1 162 LYS HA 2.500 . 2.700 2.234 2.222 2.242 . 0 0 "[ . 1 . 2]" 4
673 1 162 LYS H 1 162 LYS HG2 3.000 . 3.700 2.844 2.446 3.946 0.246 11 0 "[ . 1 . 2]" 4
674 1 162 LYS H 1 162 LYS HG3 3.000 . 3.700 4.045 3.906 4.172 0.472 10 0 "[ . 1 . 2]" 4
675 1 162 LYS H 1 162 LYS HD3 3.000 . 3.700 2.849 2.087 3.273 . 0 0 "[ . 1 . 2]" 4
676 1 162 LYS CE 1 162 LYS H 3.000 . 4.700 4.478 3.673 4.787 0.087 2 0 "[ . 1 . 2]" 4
677 1 162 LYS HA 1 162 LYS HG2 4.000 . 5.000 3.134 2.839 3.751 . 0 0 "[ . 1 . 2]" 4
678 1 162 LYS HA 1 162 LYS HG3 4.000 . 5.000 3.579 2.862 3.811 . 0 0 "[ . 1 . 2]" 4
679 1 162 LYS HA 1 162 LYS HD3 3.000 . 3.700 2.699 2.388 3.230 . 0 0 "[ . 1 . 2]" 4
680 1 162 LYS HA 1 162 LYS HD2 3.000 . 3.700 2.730 1.989 3.166 . 0 0 "[ . 1 . 2]" 4
681 1 162 LYS CE 1 162 LYS HA 5.000 . 7.000 4.270 4.022 4.392 . 0 0 "[ . 1 . 2]" 4
682 1 164 SER CB 1 164 SER H 3.000 . 4.700 2.832 2.490 3.268 . 0 0 "[ . 1 . 2]" 4
683 1 165 THR H 1 165 THR HB 4.000 . 5.000 3.414 2.811 3.841 . 0 0 "[ . 1 . 2]" 4
684 1 165 THR CG2 1 165 THR H 3.000 . 4.700 3.718 2.702 4.398 . 0 0 "[ . 1 . 2]" 4
685 1 166 ASN H 1 166 ASN HD21 5.000 . 6.000 4.061 2.875 5.180 . 0 0 "[ . 1 . 2]" 4
686 1 166 ASN H 1 166 ASN HD22 5.000 . 6.000 4.775 3.559 5.851 . 0 0 "[ . 1 . 2]" 4
687 1 166 ASN HA 1 166 ASN HB2 2.500 . 2.900 2.898 2.462 2.998 0.098 10 0 "[ . 1 . 2]" 4
688 1 166 ASN HA 1 166 ASN HB3 2.500 . 2.900 2.582 2.230 2.898 . 0 0 "[ . 1 . 2]" 4
689 1 166 ASN HA 1 166 ASN HD22 4.000 . 5.000 4.132 3.252 5.046 0.046 20 0 "[ . 1 . 2]" 4
690 1 166 ASN HB2 1 166 ASN HD21 3.000 . 3.700 2.818 2.113 3.547 . 0 0 "[ . 1 . 2]" 4
691 1 166 ASN HB2 1 166 ASN HD22 4.000 . 5.000 3.754 3.432 4.094 . 0 0 "[ . 1 . 2]" 4
692 1 166 ASN HB3 1 166 ASN HD21 3.000 . 3.700 2.804 2.166 3.459 . 0 0 "[ . 1 . 2]" 4
693 1 166 ASN HB3 1 166 ASN HD22 4.000 . 5.000 3.735 3.454 4.049 . 0 0 "[ . 1 . 2]" 4
694 1 167 ILE H 1 167 ILE HB 2.500 . 2.700 2.695 2.549 2.777 0.077 16 0 "[ . 1 . 2]" 4
695 1 167 ILE H 1 167 ILE HG12 3.000 . 3.700 3.222 1.954 3.733 0.033 14 0 "[ . 1 . 2]" 4
696 1 167 ILE H 1 167 ILE HG13 3.000 . 3.700 2.298 1.892 3.670 . 0 0 "[ . 1 . 2]" 4
697 1 167 ILE CD1 1 167 ILE H 4.000 . 6.000 3.550 2.872 4.203 . 0 0 "[ . 1 . 2]" 4
698 1 167 ILE CD1 1 167 ILE HA 4.000 . 6.000 3.970 2.686 4.283 . 0 0 "[ . 1 . 2]" 4
699 1 168 GLN H 1 168 GLN HA 3.000 . 3.700 2.944 2.930 2.949 . 0 0 "[ . 1 . 2]" 4
700 1 168 GLN H 1 168 GLN HE21 5.000 . 6.000 4.756 4.420 5.100 . 0 0 "[ . 1 . 2]" 4
701 1 168 GLN H 1 168 GLN HE22 5.000 . 6.000 6.008 5.930 6.062 0.062 2 0 "[ . 1 . 2]" 4
702 1 168 GLN HA 1 168 GLN HE21 5.000 . 6.000 3.675 1.910 4.759 . 0 0 "[ . 1 . 2]" 4
703 1 168 GLN HA 1 168 GLN HE22 5.000 . 6.000 5.103 3.539 5.961 . 0 0 "[ . 1 . 2]" 4
704 1 169 ASP H 1 169 ASP HA 3.000 . 3.700 2.829 2.777 2.892 . 0 0 "[ . 1 . 2]" 4
705 1 170 THR H 1 170 THR HB 3.000 . 3.700 3.178 2.052 3.657 . 0 0 "[ . 1 . 2]" 4
706 1 170 THR CG2 1 170 THR H 2.500 . 4.200 3.057 2.702 3.437 . 0 0 "[ . 1 . 2]" 4
707 1 171 GLU H 1 171 GLU HA 3.000 . 3.700 2.902 2.796 2.947 . 0 0 "[ . 1 . 2]" 4
708 1 173 ASN H 1 173 ASN ND2 4.000 . 6.000 4.301 3.286 5.155 . 0 0 "[ . 1 . 2]" 4
709 1 174 THR H 1 174 THR HG1 3.000 . 3.700 2.686 2.148 3.345 . 0 0 "[ . 1 . 2]" 4
710 1 174 THR CG2 1 174 THR H 4.000 . 6.000 2.967 2.580 3.313 . 0 0 "[ . 1 . 2]" 4
711 1 174 THR CG2 1 174 THR HA 3.000 . 4.700 2.882 2.764 3.007 . 0 0 "[ . 1 . 2]" 4
712 1 174 THR CG2 1 174 THR HG1 3.000 . 4.700 2.549 2.344 2.936 . 0 0 "[ . 1 . 2]" 4
713 1 178 LEU HA 1 178 LEU HG 4.000 . 5.000 3.053 2.549 3.739 . 0 0 "[ . 1 . 2]" 4
714 1 180 CYS H 1 180 CYS HB2 3.000 . 3.700 2.415 2.162 3.645 . 0 0 "[ . 1 . 2]" 4
715 1 180 CYS H 1 180 CYS HB3 3.000 . 3.700 3.515 2.574 3.631 . 0 0 "[ . 1 . 2]" 4
716 1 180 CYS H 1 180 CYS HG 3.000 . 3.700 3.188 2.471 3.494 . 0 0 "[ . 1 . 2]" 4
717 1 181 ASP H 1 181 ASP HA 2.500 . 2.900 2.777 2.769 2.806 . 0 0 "[ . 1 . 2]" 4
718 1 181 ASP CB 1 181 ASP H 2.500 . 3.700 2.543 2.538 2.549 . 0 0 "[ . 1 . 2]" 4
719 1 182 GLU H 1 182 GLU HA 2.500 . 2.700 2.842 2.782 2.859 0.159 11 0 "[ . 1 . 2]" 4
720 1 183 GLU H 1 183 GLU HA 2.500 . 2.700 2.261 2.254 2.269 . 0 0 "[ . 1 . 2]" 4
721 1 183 GLU H 1 183 GLU HG2 3.000 . 3.700 3.716 3.703 3.729 0.029 11 0 "[ . 1 . 2]" 4
722 1 183 GLU H 1 183 GLU HG3 3.000 . 3.700 3.104 2.947 3.248 . 0 0 "[ . 1 . 2]" 4
723 1 183 GLU HA 1 183 GLU HG2 2.500 . 2.900 2.347 2.261 2.499 . 0 0 "[ . 1 . 2]" 4
724 1 183 GLU HA 1 183 GLU HG3 2.500 . 2.900 2.919 2.905 2.934 0.034 9 0 "[ . 1 . 2]" 4
725 1 185 VAL H 1 185 VAL HA 3.000 . 3.700 2.831 2.721 2.878 . 0 0 "[ . 1 . 2]" 4
726 1 185 VAL H 1 185 VAL HB 2.500 . 2.700 2.634 2.592 2.709 0.009 9 0 "[ . 1 . 2]" 4
727 1 185 VAL CG1 1 185 VAL H 3.000 . 4.700 4.067 4.030 4.093 . 0 0 "[ . 1 . 2]" 4
728 1 185 VAL CG2 1 185 VAL H 2.500 . 3.700 2.643 2.483 2.749 . 0 0 "[ . 1 . 2]" 4
729 1 185 VAL CG1 1 185 VAL HA 2.500 . 3.700 2.687 2.672 2.710 . 0 0 "[ . 1 . 2]" 4
730 1 185 VAL CG2 1 185 VAL HA 2.500 . 3.700 2.798 2.780 2.811 . 0 0 "[ . 1 . 2]" 4
731 1 186 GLU H 1 186 GLU HA 2.500 . 2.900 2.817 2.785 2.840 . 0 0 "[ . 1 . 2]" 4
732 1 188 ALA H 1 188 ALA HA 3.000 . 3.700 2.842 2.821 2.857 . 0 0 "[ . 1 . 2]" 4
733 1 188 ALA CB 1 188 ALA H 2.500 . 3.700 2.540 2.532 2.547 . 0 0 "[ . 1 . 2]" 4
734 1 189 LYS H 1 189 LYS HA 2.500 . 2.900 2.807 2.776 2.836 . 0 0 "[ . 1 . 2]" 4
735 1 189 LYS CB 1 189 LYS H 3.000 . 4.700 2.533 2.523 2.545 . 0 0 "[ . 1 . 2]" 4
736 1 189 LYS CD 1 189 LYS H 4.000 . 6.000 4.520 3.673 4.936 . 0 0 "[ . 1 . 2]" 4
737 1 189 LYS H 1 189 LYS HE2 5.000 . 6.000 5.615 4.719 6.003 0.003 12 0 "[ . 1 . 2]" 4
738 1 189 LYS H 1 189 LYS HE3 5.000 . 6.000 5.443 4.210 6.004 0.004 11 0 "[ . 1 . 2]" 4
739 1 189 LYS CD 1 189 LYS HA 4.000 . 6.000 3.415 2.510 4.220 . 0 0 "[ . 1 . 2]" 4
740 1 189 LYS HA 1 189 LYS HE2 4.000 . 5.000 4.760 3.549 5.811 0.811 10 2 "[- . + . 2]" 4
741 1 189 LYS HA 1 189 LYS HE3 5.000 . 6.000 4.752 4.145 5.007 . 0 0 "[ . 1 . 2]" 4
742 1 192 VAL H 1 192 VAL HA 3.000 . 3.700 2.842 2.819 2.867 . 0 0 "[ . 1 . 2]" 4
743 1 192 VAL H 1 192 VAL HB 2.500 . 2.700 2.553 2.274 2.629 . 0 0 "[ . 1 . 2]" 4
744 1 193 SER H 1 193 SER HA 3.000 . 3.700 2.845 2.809 2.879 . 0 0 "[ . 1 . 2]" 4
745 1 193 SER H 1 193 SER HB2 3.000 . 3.700 2.929 2.206 3.608 . 0 0 "[ . 1 . 2]" 4
746 1 193 SER H 1 193 SER HB3 3.000 . 3.700 2.779 2.117 3.612 . 0 0 "[ . 1 . 2]" 4
747 1 194 GLN H 1 194 GLN HA 2.500 . 2.900 2.909 2.840 2.939 0.039 12 0 "[ . 1 . 2]" 4
748 1 194 GLN H 1 194 GLN HB2 3.000 . 3.700 2.303 2.082 2.743 . 0 0 "[ . 1 . 2]" 4
749 1 194 GLN H 1 194 GLN HB3 3.000 . 3.700 3.292 2.985 3.630 . 0 0 "[ . 1 . 2]" 4
750 1 194 GLN H 1 194 GLN HG2 4.000 . 5.000 4.309 2.376 5.014 0.014 14 0 "[ . 1 . 2]" 4
751 1 194 GLN H 1 194 GLN HG3 4.000 . 5.000 4.271 3.752 4.573 . 0 0 "[ . 1 . 2]" 4
752 1 194 GLN H 1 194 GLN HE21 5.000 . 6.000 4.048 3.323 4.725 . 0 0 "[ . 1 . 2]" 4
753 1 194 GLN H 1 194 GLN HE22 5.000 . 6.000 4.973 4.250 6.004 0.004 15 0 "[ . 1 . 2]" 4
754 1 194 GLN HA 1 194 GLN HE21 4.000 . 5.000 3.127 2.195 4.134 . 0 0 "[ . 1 . 2]" 4
755 1 194 GLN HA 1 194 GLN HE22 4.000 . 5.000 4.086 3.179 5.001 0.001 14 0 "[ . 1 . 2]" 4
756 1 194 GLN HB2 1 194 GLN HE22 5.000 . 6.000 4.028 3.286 5.277 . 0 0 "[ . 1 . 2]" 4
757 1 194 GLN HB3 1 194 GLN HE22 5.000 . 6.000 4.867 4.385 5.227 . 0 0 "[ . 1 . 2]" 4
758 1 195 GLY H 1 195 GLY HA2 2.500 . 2.700 2.610 2.375 2.907 0.207 14 0 "[ . 1 . 2]" 4
759 1 195 GLY H 1 195 GLY HA3 2.500 . 2.700 2.855 2.509 2.910 0.210 7 0 "[ . 1 . 2]" 4
760 1 197 SER CB 1 197 SER H 3.000 . 4.700 2.832 2.537 3.327 . 0 0 "[ . 1 . 2]" 4
761 1 198 ILE H 1 198 ILE HB 4.000 . 5.000 3.566 2.660 3.792 . 0 0 "[ . 1 . 2]" 4
762 1 198 ILE CG2 1 198 ILE H 3.000 . 4.700 3.605 2.985 4.485 . 0 0 "[ . 1 . 2]" 4
763 1 198 ILE CD1 1 198 ILE H 3.000 . 4.700 3.863 2.701 5.000 0.300 16 0 "[ . 1 . 2]" 4
764 1 199 TYR H 1 199 TYR HA 3.000 . 3.700 2.841 2.234 2.948 . 0 0 "[ . 1 . 2]" 4
765 1 199 TYR H 1 199 TYR HB2 3.000 . 3.700 2.557 2.149 3.920 0.220 14 0 "[ . 1 . 2]" 4
766 1 199 TYR H 1 199 TYR HB3 3.000 . 3.700 3.568 3.267 3.859 0.159 16 0 "[ . 1 . 2]" 4
767 1 199 TYR CG 1 199 TYR HA 3.000 . 5.700 2.690 2.524 3.361 . 0 0 "[ . 1 . 2]" 4
768 1 200 ILE H 1 200 ILE HA 2.500 . 2.700 2.750 2.707 2.900 0.200 14 0 "[ . 1 . 2]" 4
769 1 200 ILE H 1 200 ILE HB 2.500 . 2.700 2.734 2.708 2.793 0.093 16 0 "[ . 1 . 2]" 4
770 1 200 ILE H 1 200 ILE HG12 3.000 . 3.700 3.359 2.053 3.764 0.064 14 0 "[ . 1 . 2]" 4
771 1 200 ILE H 1 200 ILE HG13 3.000 . 3.700 2.006 1.774 3.596 0.026 12 0 "[ . 1 . 2]" 4
772 1 200 ILE CD1 1 200 ILE H 2.500 . 3.700 3.494 3.077 3.779 0.079 14 0 "[ . 1 . 2]" 4
773 1 201 GLU H 1 201 GLU HA 2.500 . 2.900 2.850 2.760 2.881 . 0 0 "[ . 1 . 2]" 4
774 1 202 ASN H 1 202 ASN ND2 4.000 . 7.000 4.624 2.772 5.243 . 0 0 "[ . 1 . 2]" 4
775 1 203 LYS H 1 203 LYS HG2 3.000 . 3.700 3.232 2.442 3.695 . 0 0 "[ . 1 . 2]" 4
776 1 203 LYS H 1 203 LYS HG3 3.000 . 3.700 3.520 1.891 3.737 0.037 11 0 "[ . 1 . 2]" 4
777 1 203 LYS HA 1 203 LYS HG2 3.000 . 3.700 2.303 2.024 3.735 0.035 14 0 "[ . 1 . 2]" 4
778 1 203 LYS HA 1 203 LYS HG3 3.000 . 3.700 3.436 3.140 3.650 . 0 0 "[ . 1 . 2]" 4
779 1 203 LYS CD 1 203 LYS HA 3.000 . 4.700 3.562 2.880 4.614 . 0 0 "[ . 1 . 2]" 4
780 1 203 LYS CE 1 203 LYS HA 4.000 . 6.000 4.138 3.066 5.166 . 0 0 "[ . 1 . 2]" 4
781 1 203 LYS CE 1 203 LYS HG2 2.500 . 3.700 2.855 2.491 3.440 . 0 0 "[ . 1 . 2]" 4
782 1 203 LYS CE 1 203 LYS HG3 2.500 . 3.700 3.011 2.540 3.444 . 0 0 "[ . 1 . 2]" 4
783 1 204 GLU H 1 204 GLU HA 2.500 . 2.700 2.871 2.840 2.902 0.202 17 0 "[ . 1 . 2]" 4
784 1 204 GLU HA 1 204 GLU HG3 2.500 . 2.700 2.774 2.692 2.811 0.111 5 0 "[ . 1 . 2]" 4
785 1 204 GLU HA 1 204 GLU HG2 2.500 . 2.700 2.747 2.724 2.767 0.067 5 0 "[ . 1 . 2]" 4
786 1 205 GLU H 1 205 GLU HA 2.500 . 2.900 2.336 2.269 2.686 . 0 0 "[ . 1 . 2]" 4
787 1 206 LYS H 1 206 LYS HA 3.000 . 3.700 2.878 2.831 2.920 . 0 0 "[ . 1 . 2]" 4
788 1 206 LYS H 1 206 LYS HD2 4.000 . 5.000 4.081 2.904 5.048 0.048 1 0 "[ . 1 . 2]" 4
789 1 206 LYS H 1 206 LYS HD3 4.000 . 5.000 4.570 3.631 5.033 0.033 14 0 "[ . 1 . 2]" 4
790 1 206 LYS CE 1 206 LYS H 4.000 . 6.000 4.345 3.113 4.936 . 0 0 "[ . 1 . 2]" 4
791 1 206 LYS HA 1 206 LYS HG2 3.000 . 3.700 3.285 2.332 3.584 . 0 0 "[ . 1 . 2]" 4
792 1 206 LYS HA 1 206 LYS HG3 3.000 . 3.700 2.695 2.202 3.762 0.062 10 0 "[ . 1 . 2]" 4
793 1 206 LYS HA 1 206 LYS HD2 4.000 . 5.000 3.453 2.439 4.574 . 0 0 "[ . 1 . 2]" 4
794 1 206 LYS HA 1 206 LYS HD3 4.000 . 5.000 3.606 1.972 4.896 . 0 0 "[ . 1 . 2]" 4
795 1 206 LYS CE 1 206 LYS HA 4.000 . 6.000 3.175 2.261 5.405 . 0 0 "[ . 1 . 2]" 4
796 1 207 THR H 1 207 THR HB 4.000 . 5.000 3.623 3.534 3.739 . 0 0 "[ . 1 . 2]" 4
797 1 207 THR H 1 207 THR HG1 3.000 . 3.700 2.767 1.940 3.724 0.024 16 0 "[ . 1 . 2]" 4
798 1 207 THR CG2 1 207 THR HA 2.500 . 3.700 2.816 2.634 2.957 . 0 0 "[ . 1 . 2]" 4
799 1 207 THR CG2 1 207 THR HG1 2.500 . 3.700 2.813 2.484 3.207 . 0 0 "[ . 1 . 2]" 4
800 1 209 LEU H 1 209 LEU HA 2.500 . 2.700 2.808 2.785 2.826 0.126 3 0 "[ . 1 . 2]" 4
801 1 209 LEU HA 1 209 LEU HB2 3.000 . 3.700 2.582 2.311 2.998 . 0 0 "[ . 1 . 2]" 4
802 1 209 LEU HA 1 209 LEU HB3 3.000 . 3.700 2.572 2.300 3.009 . 0 0 "[ . 1 . 2]" 4
803 1 210 GLN HA 1 210 GLN HE21 4.000 . 5.000 4.039 3.257 4.801 . 0 0 "[ . 1 . 2]" 4
804 1 210 GLN HA 1 210 GLN HE22 4.000 . 5.000 4.957 4.755 5.030 0.030 2 0 "[ . 1 . 2]" 4
805 1 211 VAL H 1 211 VAL HA 2.500 . 2.900 2.910 2.906 2.912 0.012 8 0 "[ . 1 . 2]" 4
806 1 211 VAL CG1 1 211 VAL H 2.500 . 3.900 3.097 3.089 3.111 . 0 0 "[ . 1 . 2]" 4
807 1 211 VAL CG2 1 211 VAL H 4.000 . 6.000 4.019 3.990 4.032 . 0 0 "[ . 1 . 2]" 4
808 1 211 VAL HA 1 211 VAL HB 2.500 . 2.700 2.644 2.639 2.651 . 0 0 "[ . 1 . 2]" 4
809 1 211 VAL CG1 1 211 VAL HA 3.000 . 4.700 3.400 3.398 3.403 . 0 0 "[ . 1 . 2]" 4
810 1 211 VAL CG2 1 211 VAL HA 2.500 . 3.900 2.509 2.505 2.512 . 0 0 "[ . 1 . 2]" 4
811 1 212 ALA H 1 212 ALA HA 3.000 . 3.700 2.836 2.813 2.875 . 0 0 "[ . 1 . 2]" 4
812 1 212 ALA CB 1 212 ALA H 2.500 . 3.700 2.551 2.542 2.572 . 0 0 "[ . 1 . 2]" 4
813 1 213 LYS H 1 213 LYS HD2 4.000 . 5.000 4.726 3.963 5.008 0.008 11 0 "[ . 1 . 2]" 4
814 1 213 LYS H 1 213 LYS HD3 4.000 . 5.000 4.877 4.457 5.007 0.007 16 0 "[ . 1 . 2]" 4
815 1 213 LYS CG 1 213 LYS HA 3.000 . 4.700 2.555 2.517 2.784 . 0 0 "[ . 1 . 2]" 4
816 1 213 LYS HA 1 213 LYS HD2 3.000 . 3.700 2.439 1.936 2.862 . 0 0 "[ . 1 . 2]" 4
817 1 213 LYS HA 1 213 LYS HD3 3.000 . 3.700 2.961 2.120 3.596 . 0 0 "[ . 1 . 2]" 4
818 1 217 GLY H 1 217 GLY HA2 2.500 . 2.700 2.798 2.794 2.802 0.102 20 0 "[ . 1 . 2]" 4
819 1 217 GLY H 1 217 GLY HA3 2.500 . 2.700 2.274 2.268 2.280 . 0 0 "[ . 1 . 2]" 4
820 1 218 LEU H 1 218 LEU HB2 2.500 . 2.700 2.254 2.194 2.282 . 0 0 "[ . 1 . 2]" 4
821 1 218 LEU H 1 218 LEU HB3 2.500 . 2.700 2.732 2.722 2.755 0.055 20 0 "[ . 1 . 2]" 4
822 1 219 ILE H 1 219 ILE HA 2.500 . 2.900 2.826 2.809 2.858 . 0 0 "[ . 1 . 2]" 4
823 1 219 ILE H 1 219 ILE HB 2.500 . 2.900 2.542 2.280 2.661 . 0 0 "[ . 1 . 2]" 4
824 1 219 ILE HA 1 219 ILE HB 3.000 . 3.700 2.893 2.566 3.024 . 0 0 "[ . 1 . 2]" 4
825 1 222 ARG H 1 222 ARG HG2 3.000 . 3.700 2.356 1.986 2.836 . 0 0 "[ . 1 . 2]" 4
826 1 222 ARG H 1 222 ARG HG3 3.000 . 3.700 3.311 2.857 3.741 0.041 14 0 "[ . 1 . 2]" 4
827 1 222 ARG CD 1 222 ARG H 3.000 . 4.700 4.164 3.580 4.491 . 0 0 "[ . 1 . 2]" 4
828 1 222 ARG CD 1 222 ARG HA 4.000 . 6.000 4.602 4.563 4.629 . 0 0 "[ . 1 . 2]" 4
829 1 223 MET H 1 223 MET HG2 3.000 . 3.700 3.131 3.089 3.151 . 0 0 "[ . 1 . 2]" 4
830 1 223 MET H 1 223 MET HG3 3.000 . 3.700 1.767 1.741 1.788 0.059 1 0 "[ . 1 . 2]" 4
831 1 223 MET HA 1 223 MET HG2 2.500 . 2.700 2.588 2.523 2.651 . 0 0 "[ . 1 . 2]" 4
832 1 223 MET HA 1 223 MET HG3 2.500 . 2.700 2.941 2.923 2.973 0.273 17 0 "[ . 1 . 2]" 4
833 1 223 MET CE 1 223 MET HG2 2.500 . 3.700 3.174 3.057 3.684 . 0 0 "[ . 1 . 2]" 4
834 1 223 MET CE 1 223 MET HG3 2.500 . 3.700 3.659 3.255 3.710 0.010 1 0 "[ . 1 . 2]" 4
835 1 224 VAL H 1 224 VAL HA 2.500 . 2.700 2.833 2.806 2.857 0.157 18 0 "[ . 1 . 2]" 4
836 1 224 VAL H 1 224 VAL HB 2.500 . 2.900 2.574 2.515 2.651 . 0 0 "[ . 1 . 2]" 4
837 1 225 GLU H 1 225 GLU HA 2.500 . 2.900 2.765 2.742 2.838 . 0 0 "[ . 1 . 2]" 4
838 1 226 GLY H 1 226 GLY HA2 2.500 . 2.700 2.354 2.253 2.750 0.050 8 0 "[ . 1 . 2]" 4
839 1 226 GLY H 1 226 GLY HA3 2.500 . 2.700 2.644 2.256 2.758 0.058 4 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 342
_Distance_constraint_stats_list.Viol_count 540
_Distance_constraint_stats_list.Viol_total 573.718
_Distance_constraint_stats_list.Viol_max 0.434
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0531
_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 2 GLU 0.349 0.055 17 0 "[ . 1 . 2]"
1 5 VAL 0.349 0.055 17 0 "[ . 1 . 2]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 MET 0.063 0.016 2 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.063 0.016 2 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 1.713 0.132 19 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 1.713 0.132 19 0 "[ . 1 . 2]"
1 18 LYS 0.064 0.034 13 0 "[ . 1 . 2]"
1 19 LEU 0.352 0.032 13 0 "[ . 1 . 2]"
1 20 GLU 0.064 0.034 13 0 "[ . 1 . 2]"
1 21 GLU 0.314 0.032 13 0 "[ . 1 . 2]"
1 22 LEU 0.022 0.022 10 0 "[ . 1 . 2]"
1 23 LYS 0.041 0.015 3 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 1.133 0.086 17 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 1.108 0.086 17 0 "[ . 1 . 2]"
1 35 ARG 0.109 0.070 15 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.109 0.070 15 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.038 0.017 6 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 0.047 0.017 6 0 "[ . 1 . 2]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.009 0.009 11 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.004 0.004 9 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.004 0.004 9 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 6.457 0.416 9 0 "[ . 1 . 2]"
1 74 TRP 6.714 0.416 9 0 "[ . 1 . 2]"
1 75 SER 0.020 0.020 10 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.257 0.050 10 0 "[ . 1 . 2]"
1 79 ILE 0.020 0.020 10 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.275 0.071 19 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.275 0.071 19 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.090 0.030 6 0 "[ . 1 . 2]"
1 97 ALA 0.090 0.030 6 0 "[ . 1 . 2]"
1 98 GLN 0.063 0.014 15 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASN 0.010 0.010 8 0 "[ . 1 . 2]"
1 101 ALA 0.949 0.147 11 0 "[ . 1 . 2]"
1 102 VAL 0.074 0.044 5 0 "[ . 1 . 2]"
1 103 ASN 3.210 0.201 5 0 "[ . 1 . 2]"
1 104 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 2.388 0.201 5 0 "[ . 1 . 2]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 THR 2.727 0.149 6 0 "[ . 1 . 2]"
1 111 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 TYR 2.727 0.149 6 0 "[ . 1 . 2]"
1 117 ASN 0.003 0.003 12 0 "[ . 1 . 2]"
1 119 HIS 0.003 0.003 12 0 "[ . 1 . 2]"
1 123 VAL 0.014 0.014 2 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.014 0.014 2 0 "[ . 1 . 2]"
1 128 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASN 3.441 0.434 8 0 "[ . 1 . 2]"
1 134 ALA 3.441 0.434 8 0 "[ . 1 . 2]"
1 135 LYS 0.866 0.090 2 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 GLU 0.866 0.090 2 0 "[ . 1 . 2]"
1 140 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 THR 1.995 0.115 7 0 "[ . 1 . 2]"
1 143 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 HIS 1.995 0.115 7 0 "[ . 1 . 2]"
1 145 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 LEU 0.052 0.029 10 0 "[ . 1 . 2]"
1 153 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 MET 0.003 0.002 14 0 "[ . 1 . 2]"
1 155 ILE 0.029 0.029 10 0 "[ . 1 . 2]"
1 156 HIS 0.023 0.019 18 0 "[ . 1 . 2]"
1 157 ILE 0.446 0.038 17 0 "[ . 1 . 2]"
1 159 LEU 0.494 0.082 11 0 "[ . 1 . 2]"
1 160 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 TYR 0.481 0.038 17 0 "[ . 1 . 2]"
1 162 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 ALA 0.531 0.082 11 0 "[ . 1 . 2]"
1 164 SER 0.188 0.028 14 0 "[ . 1 . 2]"
1 167 ILE 0.188 0.028 14 0 "[ . 1 . 2]"
1 168 GLN 0.086 0.029 11 0 "[ . 1 . 2]"
1 169 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 GLU 0.231 0.038 7 0 "[ . 1 . 2]"
1 172 GLY 0.086 0.029 11 0 "[ . 1 . 2]"
1 173 ASN 0.231 0.038 7 0 "[ . 1 . 2]"
1 174 THR 0.003 0.003 2 0 "[ . 1 . 2]"
1 176 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 HIS 0.003 0.003 2 0 "[ . 1 . 2]"
1 178 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 180 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 182 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 185 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 187 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 188 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 190 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 VAL 0.015 0.015 20 0 "[ . 1 . 2]"
1 193 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 194 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 195 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 196 ALA 0.015 0.015 20 0 "[ . 1 . 2]"
1 197 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 ILE 0.020 0.014 9 0 "[ . 1 . 2]"
1 199 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 200 ILE 0.020 0.014 9 0 "[ . 1 . 2]"
1 201 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 202 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 204 GLU 1.841 0.103 14 0 "[ . 1 . 2]"
1 205 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 206 LYS 1.898 0.103 14 0 "[ . 1 . 2]"
1 207 THR 0.162 0.047 2 0 "[ . 1 . 2]"
1 209 LEU 0.014 0.008 11 0 "[ . 1 . 2]"
1 210 GLN 0.111 0.020 2 0 "[ . 1 . 2]"
1 211 VAL 0.094 0.047 2 0 "[ . 1 . 2]"
1 212 ALA 0.033 0.033 15 0 "[ . 1 . 2]"
1 216 LEU 0.033 0.033 15 0 "[ . 1 . 2]"
1 217 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 220 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 221 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 222 ARG 1.577 0.087 18 0 "[ . 1 . 2]"
1 224 VAL 0.117 0.046 8 0 "[ . 1 . 2]"
1 225 GLU 0.739 0.060 7 0 "[ . 1 . 2]"
1 226 GLY 0.955 0.087 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU HA 1 5 VAL CG1 5.000 . 7.000 6.861 5.409 7.055 0.055 17 0 "[ . 1 . 2]" 5
2 1 5 VAL CG1 1 7 ASN H 5.000 . 7.000 6.192 5.501 6.877 . 0 0 "[ . 1 . 2]" 5
3 1 5 VAL CG2 1 7 ASN H 5.000 . 7.000 4.238 3.218 5.823 . 0 0 "[ . 1 . 2]" 5
4 1 8 LEU CG 1 11 CYS H 4.000 . 7.000 4.324 3.721 4.903 . 0 0 "[ . 1 . 2]" 5
5 1 9 MET CG 1 12 ASN H 4.000 . 6.000 5.878 5.643 6.016 0.016 2 0 "[ . 1 . 2]" 5
6 1 9 MET CG 1 12 ASN HD21 4.000 . 6.000 5.195 4.055 6.012 0.012 11 0 "[ . 1 . 2]" 5
7 1 9 MET CG 1 12 ASN HD22 4.000 . 6.000 5.103 4.078 6.005 0.005 3 0 "[ . 1 . 2]" 5
8 1 9 MET CG 1 13 LEU H 4.000 . 6.000 5.474 5.006 5.960 . 0 0 "[ . 1 . 2]" 5
9 1 15 TYR CZ 1 17 GLY H 5.000 . 8.000 8.086 8.032 8.132 0.132 19 0 "[ . 1 . 2]" 5
10 1 16 SER HB2 1 18 LYS H 4.000 . 5.000 3.887 2.894 4.942 . 0 0 "[ . 1 . 2]" 5
11 1 16 SER HB3 1 18 LYS H 4.000 . 5.000 3.708 2.625 4.988 . 0 0 "[ . 1 . 2]" 5
12 1 16 SER CB 1 18 LYS CG 4.000 . 7.000 4.388 3.976 4.711 . 0 0 "[ . 1 . 2]" 5
13 1 16 SER CB 1 18 LYS CD 4.000 . 7.000 5.018 3.100 5.546 . 0 0 "[ . 1 . 2]" 5
14 1 16 SER HB2 1 18 LYS CE 4.000 . 6.000 4.642 3.645 5.744 . 0 0 "[ . 1 . 2]" 5
15 1 16 SER HB3 1 18 LYS CE 4.000 . 6.000 4.189 2.706 5.673 . 0 0 "[ . 1 . 2]" 5
16 1 18 LYS CD 1 20 GLU H 5.000 . 7.000 6.686 6.269 7.034 0.034 13 0 "[ . 1 . 2]" 5
17 1 18 LYS CD 1 21 GLU H 5.000 . 7.000 5.256 4.871 6.440 . 0 0 "[ . 1 . 2]" 5
18 1 18 LYS CD 1 22 LEU H 5.000 . 7.000 6.349 5.620 7.000 . 0 0 "[ . 1 . 2]" 5
19 1 19 LEU CD1 1 21 GLU H 5.000 . 7.000 6.666 5.916 7.032 0.032 13 0 "[ . 1 . 2]" 5
20 1 19 LEU CD2 1 21 GLU H 5.000 . 7.000 6.781 6.384 7.028 0.028 1 0 "[ . 1 . 2]" 5
21 1 19 LEU CD1 1 22 LEU H 5.000 . 7.000 5.869 5.425 6.256 . 0 0 "[ . 1 . 2]" 5
22 1 19 LEU CD2 1 22 LEU H 5.000 . 7.000 6.157 4.942 7.022 0.022 10 0 "[ . 1 . 2]" 5
23 1 19 LEU CG 1 23 LYS H 4.000 . 7.000 5.133 4.649 5.685 . 0 0 "[ . 1 . 2]" 5
24 1 19 LEU CG 1 23 LYS CB 4.000 . 8.000 5.750 5.115 6.398 . 0 0 "[ . 1 . 2]" 5
25 1 19 LEU CD1 1 23 LYS CD 3.000 . 5.700 4.584 3.941 5.448 . 0 0 "[ . 1 . 2]" 5
26 1 19 LEU CD2 1 23 LYS CD 3.000 . 5.700 4.920 4.267 5.310 . 0 0 "[ . 1 . 2]" 5
27 1 19 LEU CD1 1 23 LYS HE2 4.000 . 6.000 3.351 2.498 4.493 . 0 0 "[ . 1 . 2]" 5
28 1 19 LEU CD1 1 23 LYS HE3 4.000 . 6.000 4.655 2.485 5.969 . 0 0 "[ . 1 . 2]" 5
29 1 19 LEU CD2 1 23 LYS HE2 4.000 . 6.000 3.534 2.632 4.670 . 0 0 "[ . 1 . 2]" 5
30 1 19 LEU CD2 1 23 LYS HE3 4.000 . 6.000 4.778 2.923 6.011 0.011 4 0 "[ . 1 . 2]" 5
31 1 20 GLU HA 1 23 LYS CG 5.000 . 7.000 3.590 3.112 4.092 . 0 0 "[ . 1 . 2]" 5
32 1 20 GLU HA 1 23 LYS CD 3.000 . 4.700 4.366 3.993 4.673 . 0 0 "[ . 1 . 2]" 5
33 1 20 GLU HA 1 23 LYS HE2 5.000 . 6.000 3.923 3.260 5.393 . 0 0 "[ . 1 . 2]" 5
34 1 20 GLU HA 1 23 LYS HE3 5.000 . 6.000 3.375 2.587 4.394 . 0 0 "[ . 1 . 2]" 5
35 1 20 GLU CB 1 23 LYS CD 5.000 . 8.000 6.443 5.997 6.785 . 0 0 "[ . 1 . 2]" 5
36 1 21 GLU H 1 23 LYS CG 5.000 . 7.000 6.176 5.869 6.493 . 0 0 "[ . 1 . 2]" 5
37 1 23 LYS H 1 26 ILE CD1 5.000 . 7.000 6.439 5.978 7.015 0.015 3 0 "[ . 1 . 2]" 5
38 1 23 LYS HA 1 26 ILE CG2 5.000 . 7.000 5.403 5.037 5.939 . 0 0 "[ . 1 . 2]" 5
39 1 23 LYS HA 1 26 ILE CD1 5.000 . 7.000 5.051 4.661 5.900 . 0 0 "[ . 1 . 2]" 5
40 1 24 GLU HA 1 27 LEU HG 5.000 . 6.000 4.471 3.463 4.774 . 0 0 "[ . 1 . 2]" 5
41 1 24 GLU HA 1 27 LEU CG 3.000 . 5.700 4.034 3.848 4.247 . 0 0 "[ . 1 . 2]" 5
42 1 25 SER CB 1 27 LEU H 5.000 . 7.000 4.996 4.922 5.126 . 0 0 "[ . 1 . 2]" 5
43 1 26 ILE CG2 1 29 ASP H 4.000 . 6.000 5.150 5.075 5.353 . 0 0 "[ . 1 . 2]" 5
44 1 26 ILE CG2 1 30 LYS H 4.000 . 6.000 6.055 6.041 6.086 0.086 17 0 "[ . 1 . 2]" 5
45 1 26 ILE CG2 1 30 LYS HA 3.000 . 4.700 3.878 3.777 3.981 . 0 0 "[ . 1 . 2]" 5
46 1 26 ILE CG2 1 30 LYS CE 5.000 . 8.000 6.774 5.034 8.004 0.004 12 0 "[ . 1 . 2]" 5
47 1 27 LEU HA 1 30 LYS CE 5.000 . 8.000 6.451 4.503 7.921 . 0 0 "[ . 1 . 2]" 5
48 1 27 LEU HB3 1 29 ASP H 5.000 . 6.000 5.233 5.154 5.319 . 0 0 "[ . 1 . 2]" 5
49 1 27 LEU HB2 1 29 ASP H 5.000 . 6.000 4.869 4.789 4.973 . 0 0 "[ . 1 . 2]" 5
50 1 35 ARG CG 1 37 ASP H 5.000 . 7.000 6.758 6.246 7.070 0.070 15 0 "[ . 1 . 2]" 5
51 1 36 THR CG2 1 40 SER H 4.000 . 6.000 5.096 4.608 5.595 . 0 0 "[ . 1 . 2]" 5
52 1 37 ASP H 1 40 SER HA 3.000 . 3.700 3.048 2.157 3.608 . 0 0 "[ . 1 . 2]" 5
53 1 42 THR HG1 1 44 LEU H 3.000 . 3.700 2.879 2.461 3.506 . 0 0 "[ . 1 . 2]" 5
54 1 42 THR CG2 1 44 LEU H 4.000 . 6.000 4.568 4.369 4.800 . 0 0 "[ . 1 . 2]" 5
55 1 42 THR H 1 45 HIS CB 5.000 . 7.000 3.472 2.994 4.141 . 0 0 "[ . 1 . 2]" 5
56 1 42 THR H 1 45 HIS HD2 5.000 . 6.000 5.243 4.480 5.616 . 0 0 "[ . 1 . 2]" 5
57 1 42 THR H 1 45 HIS HE1 4.000 . 5.000 3.740 3.102 4.081 . 0 0 "[ . 1 . 2]" 5
58 1 42 THR H 1 45 HIS HE2 5.000 . 6.000 5.238 4.798 5.527 . 0 0 "[ . 1 . 2]" 5
59 1 42 THR HA 1 45 HIS HE1 5.000 . 6.000 5.850 5.670 6.017 0.017 6 0 "[ . 1 . 2]" 5
60 1 42 THR HB 1 45 HIS HE1 5.000 . 6.000 5.138 4.704 5.384 . 0 0 "[ . 1 . 2]" 5
61 1 42 THR HG1 1 45 HIS H 4.000 . 5.000 2.299 1.784 3.110 0.016 19 0 "[ . 1 . 2]" 5
62 1 42 THR HG1 1 45 HIS HE1 4.000 . 5.000 3.292 2.575 3.735 . 0 0 "[ . 1 . 2]" 5
63 1 42 THR CG2 1 45 HIS H 5.000 . 7.000 4.657 4.507 4.772 . 0 0 "[ . 1 . 2]" 5
64 1 42 THR CG2 1 45 HIS HE1 4.000 . 6.000 3.562 3.261 3.858 . 0 0 "[ . 1 . 2]" 5
65 1 42 THR H 1 46 TRP HD1 5.000 . 6.000 4.659 3.940 5.825 . 0 0 "[ . 1 . 2]" 5
66 1 45 HIS H 1 48 CYS HG 4.000 . 5.000 4.743 4.357 5.009 0.009 11 0 "[ . 1 . 2]" 5
67 1 47 ALA CB 1 50 ALA H 5.000 . 7.000 4.994 4.863 5.100 . 0 0 "[ . 1 . 2]" 5
68 1 50 ALA CB 1 52 HIS H 3.000 . 4.700 3.732 3.346 4.181 . 0 0 "[ . 1 . 2]" 5
69 1 52 HIS HB2 1 54 GLU H 5.000 . 6.000 5.046 4.808 5.422 . 0 0 "[ . 1 . 2]" 5
70 1 52 HIS HB3 1 54 GLU H 5.000 . 6.000 3.846 3.631 4.191 . 0 0 "[ . 1 . 2]" 5
71 1 52 HIS HA 1 55 ILE CD1 5.000 . 7.000 5.324 4.860 6.530 . 0 0 "[ . 1 . 2]" 5
72 1 52 HIS HB2 1 55 ILE CD1 4.000 . 6.000 3.182 2.679 4.829 . 0 0 "[ . 1 . 2]" 5
73 1 52 HIS HB3 1 55 ILE CD1 4.000 . 6.000 2.927 2.441 4.053 . 0 0 "[ . 1 . 2]" 5
74 1 54 GLU H 1 57 GLU HG3 5.000 . 6.000 5.041 4.725 5.325 . 0 0 "[ . 1 . 2]" 5
75 1 54 GLU H 1 57 GLU HG2 5.000 . 6.000 5.547 5.271 5.927 . 0 0 "[ . 1 . 2]" 5
76 1 58 PHE CG 1 60 LEU H 5.000 . 8.000 5.772 5.614 5.975 . 0 0 "[ . 1 . 2]" 5
77 1 58 PHE CZ 1 60 LEU H 5.000 . 8.000 7.624 7.490 7.809 . 0 0 "[ . 1 . 2]" 5
78 1 58 PHE HA 1 61 GLN HG2 4.000 . 5.000 2.862 2.251 3.531 . 0 0 "[ . 1 . 2]" 5
79 1 58 PHE HA 1 61 GLN HG3 4.000 . 5.000 4.274 3.594 4.904 . 0 0 "[ . 1 . 2]" 5
80 1 58 PHE CB 1 61 GLN HG2 5.000 . 7.000 4.452 4.121 4.780 . 0 0 "[ . 1 . 2]" 5
81 1 58 PHE CB 1 61 GLN HG3 5.000 . 7.000 6.000 5.504 6.378 . 0 0 "[ . 1 . 2]" 5
82 1 58 PHE CG 1 61 GLN H 4.000 . 7.000 5.738 5.383 6.094 . 0 0 "[ . 1 . 2]" 5
83 1 58 PHE CG 1 61 GLN HB2 5.000 . 8.000 6.811 6.270 7.239 . 0 0 "[ . 1 . 2]" 5
84 1 58 PHE CG 1 61 GLN HB3 5.000 . 8.000 5.650 4.929 6.417 . 0 0 "[ . 1 . 2]" 5
85 1 58 PHE CG 1 61 GLN HG2 5.000 . 8.000 4.413 4.216 4.617 . 0 0 "[ . 1 . 2]" 5
86 1 58 PHE CG 1 61 GLN HG3 5.000 . 8.000 5.869 5.590 6.157 . 0 0 "[ . 1 . 2]" 5
87 1 58 PHE CG 1 61 GLN HE21 4.000 . 7.000 4.172 3.674 4.707 . 0 0 "[ . 1 . 2]" 5
88 1 58 PHE CG 1 61 GLN HE22 4.000 . 7.000 4.626 4.307 4.907 . 0 0 "[ . 1 . 2]" 5
89 1 58 PHE CZ 1 61 GLN HE21 4.000 . 7.000 4.542 3.864 5.197 . 0 0 "[ . 1 . 2]" 5
90 1 58 PHE CZ 1 61 GLN HE22 4.000 . 7.000 5.384 4.458 6.164 . 0 0 "[ . 1 . 2]" 5
91 1 58 PHE CZ 1 62 LEU HG 3.000 . 5.700 4.560 4.217 4.998 . 0 0 "[ . 1 . 2]" 5
92 1 58 PHE CZ 1 62 LEU CD1 2.500 . 5.700 3.292 2.997 3.793 . 0 0 "[ . 1 . 2]" 5
93 1 58 PHE CZ 1 62 LEU CD2 2.500 . 5.700 5.122 4.686 5.663 . 0 0 "[ . 1 . 2]" 5
94 1 59 LEU HA 1 62 LEU HG 5.000 . 6.000 4.425 3.746 5.366 . 0 0 "[ . 1 . 2]" 5
95 1 59 LEU HA 1 62 LEU CG 4.000 . 7.000 4.342 3.831 5.064 . 0 0 "[ . 1 . 2]" 5
96 1 61 GLN HB2 1 63 GLY H 5.000 . 6.000 5.299 5.224 5.396 . 0 0 "[ . 1 . 2]" 5
97 1 61 GLN HB3 1 63 GLY H 5.000 . 6.000 5.130 4.966 5.363 . 0 0 "[ . 1 . 2]" 5
98 1 61 GLN HG2 1 63 GLY H 5.000 . 6.000 4.542 4.428 4.679 . 0 0 "[ . 1 . 2]" 5
99 1 61 GLN HG3 1 63 GLY H 5.000 . 6.000 4.600 4.471 4.762 . 0 0 "[ . 1 . 2]" 5
100 1 62 LEU HB3 1 64 VAL H 4.000 . 5.000 4.307 3.784 4.723 . 0 0 "[ . 1 . 2]" 5
101 1 62 LEU HB2 1 64 VAL H 4.000 . 5.000 3.447 3.297 3.667 . 0 0 "[ . 1 . 2]" 5
102 1 62 LEU HG 1 64 VAL H 5.000 . 6.000 5.751 5.584 6.004 0.004 9 0 "[ . 1 . 2]" 5
103 1 65 PRO HB2 1 67 ASN H 4.000 . 5.000 4.230 3.060 4.870 . 0 0 "[ . 1 . 2]" 5
104 1 65 PRO HB3 1 67 ASN H 4.000 . 5.000 4.347 3.906 4.877 . 0 0 "[ . 1 . 2]" 5
105 1 65 PRO HB2 1 68 ASP H 4.000 . 5.000 3.451 3.058 3.934 . 0 0 "[ . 1 . 2]" 5
106 1 65 PRO HB3 1 68 ASP H 4.000 . 5.000 4.113 3.511 4.643 . 0 0 "[ . 1 . 2]" 5
107 1 70 ASP CB 1 72 ALA H 4.000 . 6.000 3.074 2.780 3.782 . 0 0 "[ . 1 . 2]" 5
108 1 72 ALA H 1 74 TRP HD1 4.000 . 5.000 4.855 3.713 5.115 0.115 10 0 "[ . 1 . 2]" 5
109 1 72 ALA CB 1 74 TRP H 3.000 . 4.700 4.631 3.766 5.116 0.416 9 0 "[ . 1 . 2]" 5
110 1 72 ALA CB 1 74 TRP HD1 3.000 . 4.700 4.479 2.659 4.848 0.148 4 0 "[ . 1 . 2]" 5
111 1 72 ALA CB 1 74 TRP HE1 3.000 . 4.700 4.843 4.116 4.970 0.270 4 0 "[ . 1 . 2]" 5
112 1 74 TRP HH2 1 78 HIS HD2 5.000 . 6.000 5.925 5.470 6.050 0.050 10 0 "[ . 1 . 2]" 5
113 1 74 TRP HZ3 1 78 HIS HD2 5.000 . 6.000 4.666 4.234 5.323 . 0 0 "[ . 1 . 2]" 5
114 1 75 SER HG 1 77 LEU H 4.000 . 5.000 3.321 2.824 3.884 . 0 0 "[ . 1 . 2]" 5
115 1 75 SER H 1 78 HIS HE1 5.000 . 6.000 4.019 3.414 4.161 . 0 0 "[ . 1 . 2]" 5
116 1 75 SER H 1 79 ILE CD1 5.000 . 7.000 5.787 5.038 7.020 0.020 10 0 "[ . 1 . 2]" 5
117 1 80 ALA CB 1 83 ALA H 4.000 . 6.000 5.540 4.809 5.691 . 0 0 "[ . 1 . 2]" 5
118 1 83 ALA CB 1 85 ARG H 4.000 . 6.000 4.395 3.124 5.201 . 0 0 "[ . 1 . 2]" 5
119 1 83 ALA CB 1 85 ARG CD 5.000 . 7.000 5.709 4.289 6.747 . 0 0 "[ . 1 . 2]" 5
120 1 85 ARG H 1 89 VAL CB 4.000 . 7.000 5.254 4.631 6.440 . 0 0 "[ . 1 . 2]" 5
121 1 86 ASP H 1 89 VAL CB 3.000 . 5.700 5.684 5.586 5.771 0.071 19 0 "[ . 1 . 2]" 5
122 1 88 ILE CG2 1 92 LEU H 5.000 . 7.000 5.121 5.000 5.824 . 0 0 "[ . 1 . 2]" 5
123 1 93 LEU H 1 97 ALA CB 4.000 . 6.000 4.891 3.930 5.348 . 0 0 "[ . 1 . 2]" 5
124 1 93 LEU HA 1 97 ALA CB 2.500 . 3.700 3.362 2.421 3.730 0.030 6 0 "[ . 1 . 2]" 5
125 1 98 GLN CB 1 100 ASN H 3.000 . 4.700 4.273 4.028 4.418 . 0 0 "[ . 1 . 2]" 5
126 1 98 GLN HG3 1 100 ASN H 5.000 . 6.000 5.570 5.299 5.716 . 0 0 "[ . 1 . 2]" 5
127 1 98 GLN HG2 1 100 ASN H 4.000 . 5.000 4.812 4.612 5.010 0.010 8 0 "[ . 1 . 2]" 5
128 1 98 GLN H 1 101 ALA CB 5.000 . 7.000 6.126 5.849 6.325 . 0 0 "[ . 1 . 2]" 5
129 1 98 GLN HB2 1 101 ALA H 4.000 . 5.000 4.302 4.164 4.418 . 0 0 "[ . 1 . 2]" 5
130 1 98 GLN HB3 1 101 ALA H 4.000 . 5.000 2.700 2.610 2.782 . 0 0 "[ . 1 . 2]" 5
131 1 98 GLN HB2 1 101 ALA CB 3.000 . 4.700 4.091 3.725 4.446 . 0 0 "[ . 1 . 2]" 5
132 1 98 GLN HB3 1 101 ALA CB 3.000 . 4.700 3.340 3.057 3.629 . 0 0 "[ . 1 . 2]" 5
133 1 98 GLN HG3 1 101 ALA H 4.000 . 5.000 4.841 4.674 5.009 0.009 17 0 "[ . 1 . 2]" 5
134 1 98 GLN HG2 1 101 ALA H 4.000 . 5.000 4.912 4.642 5.014 0.014 15 0 "[ . 1 . 2]" 5
135 1 98 GLN HG3 1 101 ALA CB 4.000 . 6.000 4.333 3.931 5.041 . 0 0 "[ . 1 . 2]" 5
136 1 98 GLN HG2 1 101 ALA CB 4.000 . 6.000 5.267 4.905 5.904 . 0 0 "[ . 1 . 2]" 5
137 1 98 GLN NE2 1 101 ALA H 5.000 . 7.000 3.849 3.066 4.627 . 0 0 "[ . 1 . 2]" 5
138 1 99 VAL CG1 1 101 ALA H 5.000 . 7.000 5.867 4.924 6.409 . 0 0 "[ . 1 . 2]" 5
139 1 99 VAL CG2 1 101 ALA H 5.000 . 7.000 5.407 5.020 5.916 . 0 0 "[ . 1 . 2]" 5
140 1 101 ALA CB 1 103 ASN H 4.000 . 6.000 6.029 5.857 6.147 0.147 11 0 "[ . 1 . 2]" 5
141 1 102 VAL HA 1 106 GLY HA3 5.000 . 6.000 4.565 4.277 4.993 . 0 0 "[ . 1 . 2]" 5
142 1 102 VAL HA 1 106 GLY HA2 5.000 . 6.000 2.956 2.617 3.522 . 0 0 "[ . 1 . 2]" 5
143 1 102 VAL HB 1 106 GLY H 4.000 . 5.000 2.842 2.223 3.754 . 0 0 "[ . 1 . 2]" 5
144 1 102 VAL HB 1 106 GLY HA3 4.000 . 5.000 3.316 3.166 3.508 . 0 0 "[ . 1 . 2]" 5
145 1 102 VAL HB 1 106 GLY HA2 4.000 . 5.000 1.847 1.756 1.946 0.044 5 0 "[ . 1 . 2]" 5
146 1 102 VAL CB 1 106 GLY H 4.000 . 7.000 3.847 3.298 4.732 . 0 0 "[ . 1 . 2]" 5
147 1 102 VAL CG1 1 106 GLY HA3 4.000 . 6.000 3.644 3.196 5.159 . 0 0 "[ . 1 . 2]" 5
148 1 102 VAL CG1 1 106 GLY HA2 4.000 . 6.000 2.586 2.332 3.858 . 0 0 "[ . 1 . 2]" 5
149 1 102 VAL CG2 1 106 GLY HA3 4.000 . 6.000 5.045 4.486 5.479 . 0 0 "[ . 1 . 2]" 5
150 1 102 VAL CG2 1 106 GLY HA2 4.000 . 6.000 3.765 3.178 3.964 . 0 0 "[ . 1 . 2]" 5
151 1 103 ASN CB 1 105 ASN H 4.000 . 6.000 3.657 3.333 4.049 . 0 0 "[ . 1 . 2]" 5
152 1 103 ASN H 1 106 GLY HA3 3.000 . 4.700 4.747 4.136 4.901 0.201 5 0 "[ . 1 . 2]" 5
153 1 103 ASN H 1 107 CYS HA 5.000 . 6.000 4.950 4.177 5.691 . 0 0 "[ . 1 . 2]" 5
154 1 104 GLN CB 1 106 GLY H 5.000 . 7.000 4.604 4.472 4.824 . 0 0 "[ . 1 . 2]" 5
155 1 105 ASN CB 1 107 CYS H 4.000 . 6.000 4.162 3.683 4.660 . 0 0 "[ . 1 . 2]" 5
156 1 108 THR H 1 111 HIS HD2 5.000 . 6.000 5.583 5.109 5.842 . 0 0 "[ . 1 . 2]" 5
157 1 108 THR H 1 111 HIS HE1 4.000 . 5.000 3.602 3.324 3.850 . 0 0 "[ . 1 . 2]" 5
158 1 108 THR H 1 111 HIS HE2 5.000 . 6.000 5.377 5.071 5.551 . 0 0 "[ . 1 . 2]" 5
159 1 108 THR CG2 1 111 HIS H 5.000 . 7.000 4.686 4.557 4.862 . 0 0 "[ . 1 . 2]" 5
160 1 108 THR CG2 1 111 HIS HE1 4.000 . 6.000 3.331 3.001 3.723 . 0 0 "[ . 1 . 2]" 5
161 1 108 THR H 1 112 TYR CG 4.000 . 7.000 6.353 6.016 6.649 . 0 0 "[ . 1 . 2]" 5
162 1 108 THR H 1 112 TYR CZ 4.000 . 7.000 6.048 5.936 6.319 . 0 0 "[ . 1 . 2]" 5
163 1 108 THR HA 1 112 TYR CG 4.000 . 7.000 6.122 5.918 6.488 . 0 0 "[ . 1 . 2]" 5
164 1 108 THR HA 1 112 TYR CZ 4.000 . 7.000 6.013 5.546 6.138 . 0 0 "[ . 1 . 2]" 5
165 1 108 THR HB 1 112 TYR CG 5.000 . 8.000 7.549 7.324 7.705 . 0 0 "[ . 1 . 2]" 5
166 1 108 THR HB 1 112 TYR CZ 5.000 . 8.000 8.006 7.530 8.091 0.091 9 0 "[ . 1 . 2]" 5
167 1 108 THR CG2 1 112 TYR CZ 4.000 . 8.000 8.087 8.044 8.149 0.149 6 0 "[ . 1 . 2]" 5
168 1 117 ASN HB2 1 119 HIS HE1 5.000 . 6.000 4.520 2.663 5.445 . 0 0 "[ . 1 . 2]" 5
169 1 117 ASN HB3 1 119 HIS HE1 5.000 . 6.000 3.871 2.997 4.848 . 0 0 "[ . 1 . 2]" 5
170 1 117 ASN HD21 1 119 HIS HE1 5.000 . 6.000 3.957 2.212 5.311 . 0 0 "[ . 1 . 2]" 5
171 1 117 ASN HD22 1 119 HIS HE1 5.000 . 6.000 4.035 2.662 6.003 0.003 12 0 "[ . 1 . 2]" 5
172 1 119 HIS CB 1 123 VAL CG2 5.000 . 8.000 5.913 5.220 6.327 . 0 0 "[ . 1 . 2]" 5
173 1 123 VAL HA 1 126 LEU CG 4.000 . 7.000 4.394 3.460 4.896 . 0 0 "[ . 1 . 2]" 5
174 1 123 VAL CG1 1 127 GLU H 4.000 . 6.000 5.362 5.001 5.687 . 0 0 "[ . 1 . 2]" 5
175 1 123 VAL CG2 1 127 GLU H 5.000 . 7.000 6.644 6.182 7.014 0.014 2 0 "[ . 1 . 2]" 5
176 1 126 LEU CG 1 128 GLY H 5.000 . 8.000 6.038 5.829 6.341 . 0 0 "[ . 1 . 2]" 5
177 1 126 LEU H 1 130 ALA CB 5.000 . 7.000 4.844 4.419 5.202 . 0 0 "[ . 1 . 2]" 5
178 1 126 LEU HA 1 130 ALA CB 2.500 . 3.700 2.956 2.554 3.699 . 0 0 "[ . 1 . 2]" 5
179 1 126 LEU CG 1 130 ALA H 5.000 . 8.000 5.248 4.764 5.731 . 0 0 "[ . 1 . 2]" 5
180 1 127 GLU HB2 1 129 GLY H 5.000 . 6.000 5.040 4.903 5.250 . 0 0 "[ . 1 . 2]" 5
181 1 127 GLU HB3 1 129 GLY H 5.000 . 6.000 4.939 4.770 5.278 . 0 0 "[ . 1 . 2]" 5
182 1 127 GLU CG 1 129 GLY H 5.000 . 7.000 5.797 4.997 6.064 . 0 0 "[ . 1 . 2]" 5
183 1 131 ASN HB2 1 134 ALA H 3.000 . 3.700 3.847 3.475 4.134 0.434 8 0 "[ . 1 . 2]" 5
184 1 131 ASN HB3 1 134 ALA H 4.000 . 6.000 2.635 2.500 2.777 . 0 0 "[ . 1 . 2]" 5
185 1 131 ASN CB 1 134 ALA HA 4.000 . 6.000 4.205 3.960 4.496 . 0 0 "[ . 1 . 2]" 5
186 1 131 ASN HB2 1 134 ALA CB 3.000 . 4.700 3.040 2.488 3.352 . 0 0 "[ . 1 . 2]" 5
187 1 131 ASN HB3 1 134 ALA CB 3.000 . 4.700 2.585 2.409 2.925 . 0 0 "[ . 1 . 2]" 5
188 1 131 ASN HD21 1 134 ALA H 5.000 . 6.000 4.200 4.047 4.536 . 0 0 "[ . 1 . 2]" 5
189 1 131 ASN HD21 1 134 ALA HA 3.000 . 3.700 3.307 3.059 3.463 . 0 0 "[ . 1 . 2]" 5
190 1 131 ASN HD22 1 134 ALA HA 4.000 . 5.000 4.956 4.707 5.014 0.014 11 0 "[ . 1 . 2]" 5
191 1 131 ASN HD21 1 134 ALA CB 5.000 . 7.000 3.586 3.137 4.318 . 0 0 "[ . 1 . 2]" 5
192 1 131 ASN HD22 1 134 ALA CB 5.000 . 7.000 5.128 4.693 5.645 . 0 0 "[ . 1 . 2]" 5
193 1 135 LYS H 1 139 GLU HA 4.000 . 5.000 4.988 4.699 5.090 0.090 2 0 "[ . 1 . 2]" 5
194 1 135 LYS CB 1 139 GLU H 3.000 . 4.700 4.557 4.236 4.736 0.036 4 0 "[ . 1 . 2]" 5
195 1 136 ASP H 1 139 GLU HA 4.000 . 5.000 3.703 2.580 4.465 . 0 0 "[ . 1 . 2]" 5
196 1 138 TYR H 1 140 ALA CB 4.000 . 6.000 5.404 5.269 5.549 . 0 0 "[ . 1 . 2]" 5
197 1 138 TYR HA 1 140 ALA CB 5.000 . 7.000 6.315 6.182 6.519 . 0 0 "[ . 1 . 2]" 5
198 1 138 TYR HB2 1 140 ALA H 5.000 . 6.000 3.462 2.995 4.358 . 0 0 "[ . 1 . 2]" 5
199 1 138 TYR HB3 1 140 ALA H 5.000 . 6.000 4.509 4.033 5.494 . 0 0 "[ . 1 . 2]" 5
200 1 138 TYR HB2 1 140 ALA CB 5.000 . 7.000 4.003 3.702 4.890 . 0 0 "[ . 1 . 2]" 5
201 1 138 TYR HB3 1 140 ALA CB 5.000 . 7.000 4.983 4.444 6.077 . 0 0 "[ . 1 . 2]" 5
202 1 138 TYR CG 1 140 ALA H 5.000 . 8.000 5.009 3.861 5.578 . 0 0 "[ . 1 . 2]" 5
203 1 140 ALA CB 1 144 HIS HE2 5.000 . 7.000 6.517 6.023 6.953 . 0 0 "[ . 1 . 2]" 5
204 1 141 THR HB 1 143 MET H 5.000 . 6.000 3.051 2.884 3.228 . 0 0 "[ . 1 . 2]" 5
205 1 141 THR HG1 1 143 MET H 5.000 . 6.000 3.028 2.073 3.506 . 0 0 "[ . 1 . 2]" 5
206 1 141 THR CG2 1 143 MET H 5.000 . 7.000 4.691 4.625 4.765 . 0 0 "[ . 1 . 2]" 5
207 1 141 THR HA 1 144 HIS HE1 4.000 . 5.000 5.096 5.068 5.115 0.115 7 0 "[ . 1 . 2]" 5
208 1 141 THR HB 1 144 HIS HE1 5.000 . 6.000 4.276 4.108 4.398 . 0 0 "[ . 1 . 2]" 5
209 1 141 THR HG1 1 144 HIS H 3.000 . 3.700 2.649 1.776 3.051 0.024 9 0 "[ . 1 . 2]" 5
210 1 141 THR HG1 1 144 HIS HE1 4.000 . 5.000 2.752 2.326 3.618 . 0 0 "[ . 1 . 2]" 5
211 1 141 THR CG2 1 144 HIS H 4.000 . 6.000 4.642 4.502 4.803 . 0 0 "[ . 1 . 2]" 5
212 1 141 THR H 1 144 HIS HE1 5.000 . 6.000 3.404 3.072 3.611 . 0 0 "[ . 1 . 2]" 5
213 1 141 THR H 1 144 HIS HE2 5.000 . 6.000 4.623 4.340 4.981 . 0 0 "[ . 1 . 2]" 5
214 1 141 THR CG2 1 144 HIS HE1 5.000 . 7.000 2.727 2.474 2.965 . 0 0 "[ . 1 . 2]" 5
215 1 141 THR CG2 1 144 HIS HE2 5.000 . 7.000 5.103 4.765 5.398 . 0 0 "[ . 1 . 2]" 5
216 1 141 THR HG1 1 145 ARG H 5.000 . 6.000 5.186 4.023 5.662 . 0 0 "[ . 1 . 2]" 5
217 1 147 ALA CB 1 149 LYS H 5.000 . 7.000 5.061 4.942 5.173 . 0 0 "[ . 1 . 2]" 5
218 1 152 LEU CD1 1 156 HIS HD2 4.000 . 6.000 5.310 3.184 6.003 0.003 20 0 "[ . 1 . 2]" 5
219 1 152 LEU CD2 1 156 HIS HD2 4.000 . 6.000 5.016 4.072 6.019 0.019 18 0 "[ . 1 . 2]" 5
220 1 153 LYS HA 1 156 HIS HD2 3.000 . 3.700 2.816 2.283 3.474 . 0 0 "[ . 1 . 2]" 5
221 1 154 MET CE 1 157 ILE CD1 3.000 . 5.700 4.845 3.848 5.702 0.002 14 0 "[ . 1 . 2]" 5
222 1 152 LEU H 1 155 ILE CD1 5.000 . 7.000 5.649 5.020 7.029 0.029 10 0 "[ . 1 . 2]" 5
223 1 155 ILE CG2 1 159 LEU H 5.000 . 7.000 5.250 4.930 6.697 . 0 0 "[ . 1 . 2]" 5
224 1 157 ILE HA 1 160 TYR CG 4.000 . 7.000 4.003 3.542 4.298 . 0 0 "[ . 1 . 2]" 5
225 1 157 ILE HA 1 161 TYR CG 3.000 . 5.700 5.649 5.492 5.728 0.028 20 0 "[ . 1 . 2]" 5
226 1 157 ILE HA 1 161 TYR CZ 4.000 . 7.000 6.517 5.703 6.961 . 0 0 "[ . 1 . 2]" 5
227 1 157 ILE HB 1 161 TYR CG 4.000 . 7.000 5.391 4.965 6.616 . 0 0 "[ . 1 . 2]" 5
228 1 157 ILE CG2 1 161 TYR CG 3.000 . 6.700 6.460 4.973 6.738 0.038 17 0 "[ . 1 . 2]" 5
229 1 157 ILE CD1 1 161 TYR CG 4.000 . 8.000 7.732 7.370 8.028 0.028 14 0 "[ . 1 . 2]" 5
230 1 159 LEU H 1 163 ALA CB 5.000 . 7.000 5.627 4.945 6.298 . 0 0 "[ . 1 . 2]" 5
231 1 159 LEU HA 1 163 ALA CB 3.000 . 4.700 4.501 4.006 4.782 0.082 11 0 "[ . 1 . 2]" 5
232 1 160 TYR HB2 1 162 LYS H 5.000 . 6.000 5.382 5.191 5.557 . 0 0 "[ . 1 . 2]" 5
233 1 160 TYR HB3 1 162 LYS H 5.000 . 6.000 4.786 4.625 5.306 . 0 0 "[ . 1 . 2]" 5
234 1 160 TYR CG 1 162 LYS H 4.000 . 7.000 5.384 5.141 5.606 . 0 0 "[ . 1 . 2]" 5
235 1 161 TYR HB2 1 163 ALA H 5.000 . 6.000 4.725 3.275 5.571 . 0 0 "[ . 1 . 2]" 5
236 1 161 TYR HB3 1 163 ALA H 5.000 . 6.000 4.906 3.462 5.741 . 0 0 "[ . 1 . 2]" 5
237 1 161 TYR CG 1 163 ALA CB 4.000 . 8.000 7.104 5.809 8.019 0.019 2 0 "[ . 1 . 2]" 5
238 1 164 SER H 1 167 ILE CD1 5.000 . 7.000 5.385 3.755 7.022 0.022 4 0 "[ . 1 . 2]" 5
239 1 164 SER CB 1 167 ILE H 4.000 . 6.000 4.832 3.817 5.727 . 0 0 "[ . 1 . 2]" 5
240 1 164 SER CB 1 167 ILE HB 4.000 . 6.000 5.279 3.773 6.028 0.028 14 0 "[ . 1 . 2]" 5
241 1 164 SER HA 1 167 ILE CD1 5.000 . 7.000 4.107 2.717 5.400 . 0 0 "[ . 1 . 2]" 5
242 1 164 SER CB 1 167 ILE CD1 2.500 . 4.700 4.301 3.575 4.724 0.024 3 0 "[ . 1 . 2]" 5
243 1 168 GLN HE21 1 172 GLY H 5.000 . 6.000 4.869 3.431 6.010 0.010 7 0 "[ . 1 . 2]" 5
244 1 168 GLN HE22 1 172 GLY H 5.000 . 6.000 5.609 4.785 6.029 0.029 11 0 "[ . 1 . 2]" 5
245 1 168 GLN NE2 1 172 GLY CA 5.000 . 7.000 4.016 3.256 4.947 . 0 0 "[ . 1 . 2]" 5
246 1 169 ASP H 1 173 ASN CB 5.000 . 7.000 3.974 2.894 5.136 . 0 0 "[ . 1 . 2]" 5
247 1 169 ASP CB 1 171 GLU H 5.000 . 7.000 3.384 3.005 4.606 . 0 0 "[ . 1 . 2]" 5
248 1 171 GLU H 1 173 ASN HD21 5.000 . 6.000 5.570 4.831 6.038 0.038 7 0 "[ . 1 . 2]" 5
249 1 171 GLU H 1 173 ASN HD22 5.000 . 6.000 5.418 4.127 6.037 0.037 19 0 "[ . 1 . 2]" 5
250 1 173 ASN HA 1 177 HIS HD2 5.000 . 6.000 5.472 5.142 5.749 . 0 0 "[ . 1 . 2]" 5
251 1 173 ASN HA 1 177 HIS HE1 5.000 . 6.000 4.861 4.120 5.556 . 0 0 "[ . 1 . 2]" 5
252 1 174 THR HB 1 176 LEU H 5.000 . 6.000 3.229 2.921 3.582 . 0 0 "[ . 1 . 2]" 5
253 1 174 THR HG1 1 176 LEU H 4.000 . 5.000 3.216 2.707 3.829 . 0 0 "[ . 1 . 2]" 5
254 1 174 THR H 1 177 HIS HD2 5.000 . 6.000 5.219 5.068 5.427 . 0 0 "[ . 1 . 2]" 5
255 1 174 THR H 1 177 HIS HE1 5.000 . 6.000 4.121 3.711 4.264 . 0 0 "[ . 1 . 2]" 5
256 1 174 THR H 1 177 HIS HE2 5.000 . 6.000 5.507 5.184 5.633 . 0 0 "[ . 1 . 2]" 5
257 1 174 THR HG1 1 177 HIS H 3.000 . 3.700 2.446 1.797 3.179 0.003 2 0 "[ . 1 . 2]" 5
258 1 174 THR HG1 1 177 HIS HE1 4.000 . 5.000 3.487 2.654 3.985 . 0 0 "[ . 1 . 2]" 5
259 1 174 THR CG2 1 177 HIS H 5.000 . 7.000 4.665 4.491 4.807 . 0 0 "[ . 1 . 2]" 5
260 1 174 THR CG2 1 177 HIS HE1 4.000 . 6.000 3.777 3.044 4.134 . 0 0 "[ . 1 . 2]" 5
261 1 174 THR H 1 178 LEU CG 5.000 . 8.000 5.644 5.389 6.231 . 0 0 "[ . 1 . 2]" 5
262 1 174 THR HG1 1 178 LEU H 5.000 . 6.000 4.779 3.941 5.672 . 0 0 "[ . 1 . 2]" 5
263 1 176 LEU CG 1 180 CYS H 5.000 . 8.000 5.619 4.974 6.275 . 0 0 "[ . 1 . 2]" 5
264 1 179 ALA CB 1 182 GLU H 5.000 . 7.000 5.041 4.948 5.123 . 0 0 "[ . 1 . 2]" 5
265 1 185 VAL CG1 1 187 GLU H 5.000 . 7.000 6.180 5.654 6.359 . 0 0 "[ . 1 . 2]" 5
266 1 185 VAL CG2 1 187 GLU H 5.000 . 7.000 6.393 6.095 6.552 . 0 0 "[ . 1 . 2]" 5
267 1 185 VAL CG1 1 188 ALA H 5.000 . 7.000 5.814 4.837 6.033 . 0 0 "[ . 1 . 2]" 5
268 1 185 VAL CG1 1 189 LYS H 5.000 . 7.000 5.020 4.037 5.405 . 0 0 "[ . 1 . 2]" 5
269 1 185 VAL CG1 1 189 LYS HE2 4.000 . 6.000 4.557 3.062 5.999 . 0 0 "[ . 1 . 2]" 5
270 1 185 VAL CG1 1 189 LYS HE3 4.000 . 6.000 4.611 3.250 5.824 . 0 0 "[ . 1 . 2]" 5
271 1 190 LEU CG 1 193 SER H 5.000 . 8.000 5.921 5.598 6.307 . 0 0 "[ . 1 . 2]" 5
272 1 192 VAL HB 1 195 GLY H 5.000 . 6.000 5.637 5.111 5.975 . 0 0 "[ . 1 . 2]" 5
273 1 192 VAL CB 1 195 GLY H 5.000 . 7.000 5.123 4.612 5.511 . 0 0 "[ . 1 . 2]" 5
274 1 192 VAL H 1 196 ALA CB 5.000 . 7.000 4.726 4.124 5.775 . 0 0 "[ . 1 . 2]" 5
275 1 192 VAL HA 1 196 ALA CB 2.500 . 3.900 3.051 2.484 3.915 0.015 20 0 "[ . 1 . 2]" 5
276 1 192 VAL HB 1 196 ALA H 5.000 . 6.000 5.385 4.949 5.708 . 0 0 "[ . 1 . 2]" 5
277 1 192 VAL CB 1 196 ALA H 4.000 . 7.000 4.653 4.200 4.902 . 0 0 "[ . 1 . 2]" 5
278 1 194 GLN HB2 1 196 ALA H 5.000 . 6.000 4.625 3.001 5.543 . 0 0 "[ . 1 . 2]" 5
279 1 194 GLN HB3 1 196 ALA H 5.000 . 6.000 4.546 3.240 5.734 . 0 0 "[ . 1 . 2]" 5
280 1 197 SER CB 1 199 TYR H 5.000 . 7.000 3.919 3.229 6.000 . 0 0 "[ . 1 . 2]" 5
281 1 197 SER CB 1 200 ILE H 5.000 . 7.000 4.163 3.731 6.225 . 0 0 "[ . 1 . 2]" 5
282 1 197 SER H 1 200 ILE CD1 5.000 . 7.000 4.536 2.926 6.588 . 0 0 "[ . 1 . 2]" 5
283 1 197 SER CB 1 200 ILE CD1 4.000 . 7.000 3.311 2.979 3.788 . 0 0 "[ . 1 . 2]" 5
284 1 198 ILE H 1 200 ILE CD1 4.000 . 6.000 5.421 4.020 6.014 0.014 9 0 "[ . 1 . 2]" 5
285 1 201 GLU H 1 205 GLU HA 5.000 . 6.000 5.187 4.845 5.824 . 0 0 "[ . 1 . 2]" 5
286 1 201 GLU HA 1 205 GLU HA 4.000 . 5.000 4.143 3.273 4.533 . 0 0 "[ . 1 . 2]" 5
287 1 202 ASN ND2 1 204 GLU H 4.000 . 7.000 4.570 2.163 6.093 . 0 0 "[ . 1 . 2]" 5
288 1 202 ASN H 1 205 GLU HA 4.000 . 5.000 3.051 2.670 3.639 . 0 0 "[ . 1 . 2]" 5
289 1 204 GLU H 1 206 LYS HA 5.000 . 6.000 5.731 5.051 6.103 0.103 14 0 "[ . 1 . 2]" 5
290 1 204 GLU HA 1 206 LYS CE 5.000 . 7.000 6.662 4.985 7.027 0.027 7 0 "[ . 1 . 2]" 5
291 1 204 GLU HG3 1 206 LYS H 4.000 . 5.000 5.059 5.034 5.086 0.086 8 0 "[ . 1 . 2]" 5
292 1 204 GLU HG2 1 206 LYS H 5.000 . 6.000 5.813 3.889 6.086 0.086 5 0 "[ . 1 . 2]" 5
293 1 206 LYS HA 1 210 GLN CB 5.000 . 7.000 4.141 3.340 4.801 . 0 0 "[ . 1 . 2]" 5
294 1 206 LYS HA 1 210 GLN CG 3.000 . 4.700 4.477 3.421 4.709 0.009 1 0 "[ . 1 . 2]" 5
295 1 206 LYS CD 1 210 GLN HE21 5.000 . 7.000 5.493 4.027 7.013 0.013 2 0 "[ . 1 . 2]" 5
296 1 206 LYS CD 1 210 GLN HE22 5.000 . 7.000 6.028 3.892 7.020 0.020 2 0 "[ . 1 . 2]" 5
297 1 207 THR HB 1 209 LEU H 4.000 . 5.000 3.184 2.783 3.566 . 0 0 "[ . 1 . 2]" 5
298 1 207 THR HG1 1 209 LEU H 3.000 . 3.700 3.105 1.962 3.708 0.008 11 0 "[ . 1 . 2]" 5
299 1 207 THR HG1 1 209 LEU HB2 5.000 . 6.000 4.160 2.013 5.469 . 0 0 "[ . 1 . 2]" 5
300 1 207 THR HG1 1 209 LEU HB3 5.000 . 6.000 4.161 1.914 5.519 . 0 0 "[ . 1 . 2]" 5
301 1 207 THR HG1 1 209 LEU CD1 5.000 . 7.000 4.029 2.748 6.077 . 0 0 "[ . 1 . 2]" 5
302 1 207 THR HG1 1 209 LEU CD2 5.000 . 7.000 4.298 2.770 6.240 . 0 0 "[ . 1 . 2]" 5
303 1 207 THR CG2 1 209 LEU H 4.000 . 6.000 4.908 4.644 5.214 . 0 0 "[ . 1 . 2]" 5
304 1 207 THR H 1 210 GLN HA 5.000 . 6.000 5.435 5.085 6.019 0.019 8 0 "[ . 1 . 2]" 5
305 1 207 THR H 1 210 GLN CB 4.000 . 6.000 3.534 3.102 4.291 . 0 0 "[ . 1 . 2]" 5
306 1 207 THR H 1 210 GLN HG2 4.000 . 5.000 4.353 2.587 4.871 . 0 0 "[ . 1 . 2]" 5
307 1 207 THR H 1 210 GLN HG3 4.000 . 5.000 3.767 2.751 5.011 0.011 12 0 "[ . 1 . 2]" 5
308 1 207 THR H 1 210 GLN HE21 5.000 . 6.000 4.516 3.141 5.827 . 0 0 "[ . 1 . 2]" 5
309 1 207 THR H 1 210 GLN HE22 5.000 . 6.000 5.174 2.810 6.005 0.005 6 0 "[ . 1 . 2]" 5
310 1 207 THR HG1 1 210 GLN H 4.000 . 5.000 2.526 1.932 3.713 . 0 0 "[ . 1 . 2]" 5
311 1 207 THR HG1 1 210 GLN HG2 5.000 . 6.000 4.067 2.532 6.004 0.004 2 0 "[ . 1 . 2]" 5
312 1 207 THR HG1 1 210 GLN HG3 5.000 . 6.000 3.634 2.000 5.204 . 0 0 "[ . 1 . 2]" 5
313 1 207 THR HG1 1 210 GLN NE2 5.000 . 7.000 4.670 2.645 6.961 . 0 0 "[ . 1 . 2]" 5
314 1 207 THR CG2 1 210 GLN H 5.000 . 7.000 4.904 4.597 5.160 . 0 0 "[ . 1 . 2]" 5
315 1 207 THR CG2 1 210 GLN NE2 4.000 . 7.000 6.005 3.991 7.005 0.005 14 0 "[ . 1 . 2]" 5
316 1 207 THR H 1 211 VAL CG1 5.000 . 7.000 6.342 5.895 6.645 . 0 0 "[ . 1 . 2]" 5
317 1 207 THR H 1 211 VAL CG2 5.000 . 7.000 6.735 6.247 7.047 0.047 2 0 "[ . 1 . 2]" 5
318 1 207 THR HA 1 211 VAL CB 4.000 . 7.000 6.172 5.644 6.395 . 0 0 "[ . 1 . 2]" 5
319 1 207 THR HG1 1 211 VAL H 5.000 . 6.000 4.480 3.586 5.723 . 0 0 "[ . 1 . 2]" 5
320 1 209 LEU CG 1 212 ALA H 5.000 . 8.000 5.618 5.337 6.073 . 0 0 "[ . 1 . 2]" 5
321 1 212 ALA CB 1 216 LEU H 4.000 . 6.000 5.417 4.780 6.033 0.033 15 0 "[ . 1 . 2]" 5
322 1 217 GLY H 1 220 LEU CG 4.000 . 7.000 6.323 5.126 6.982 . 0 0 "[ . 1 . 2]" 5
323 1 221 LYS HA 1 224 VAL CB 3.000 . 5.700 4.152 3.694 4.564 . 0 0 "[ . 1 . 2]" 5
324 1 221 LYS HA 1 224 VAL CG1 5.000 . 7.000 5.205 3.958 5.709 . 0 0 "[ . 1 . 2]" 5
325 1 221 LYS HA 1 224 VAL CG2 5.000 . 7.000 3.821 3.141 5.779 . 0 0 "[ . 1 . 2]" 5
326 1 222 ARG HG2 1 224 VAL H 5.000 . 6.000 5.177 4.474 5.381 . 0 0 "[ . 1 . 2]" 5
327 1 222 ARG HG3 1 224 VAL H 5.000 . 6.000 4.674 4.493 5.201 . 0 0 "[ . 1 . 2]" 5
328 1 222 ARG HG2 1 225 GLU H 5.000 . 6.000 5.995 5.388 6.060 0.060 7 0 "[ . 1 . 2]" 5
329 1 222 ARG HG3 1 225 GLU H 5.000 . 6.000 5.304 5.073 5.718 . 0 0 "[ . 1 . 2]" 5
330 1 222 ARG CD 1 225 GLU H 5.000 . 7.000 6.974 6.822 7.051 0.051 6 0 "[ . 1 . 2]" 5
331 1 222 ARG HA 1 226 GLY HA2 5.000 . 6.000 2.182 2.020 2.425 . 0 0 "[ . 1 . 2]" 5
332 1 222 ARG HA 1 226 GLY HA3 5.000 . 6.000 1.989 1.872 2.209 . 0 0 "[ . 1 . 2]" 5
333 1 222 ARG HG2 1 226 GLY HA3 5.000 . 6.000 5.272 4.693 5.617 . 0 0 "[ . 1 . 2]" 5
334 1 222 ARG HG3 1 226 GLY HA2 5.000 . 6.000 5.647 5.391 6.016 0.016 4 0 "[ . 1 . 2]" 5
335 1 222 ARG HG3 1 226 GLY HA3 5.000 . 6.000 4.927 3.812 5.439 . 0 0 "[ . 1 . 2]" 5
336 1 222 ARG CD 1 226 GLY H 5.000 . 7.000 6.837 5.806 7.087 0.087 18 0 "[ . 1 . 2]" 5
337 1 222 ARG CD 1 226 GLY HA2 5.000 . 7.000 6.312 5.949 6.479 . 0 0 "[ . 1 . 2]" 5
338 1 222 ARG CD 1 226 GLY HA3 5.000 . 7.000 5.486 4.607 5.915 . 0 0 "[ . 1 . 2]" 5
339 1 224 VAL H 1 226 GLY HA2 5.000 . 6.000 5.261 5.074 5.587 . 0 0 "[ . 1 . 2]" 5
340 1 224 VAL H 1 226 GLY HA3 5.000 . 6.000 5.427 5.159 5.512 . 0 0 "[ . 1 . 2]" 5
341 1 224 VAL CG1 1 226 GLY H 4.000 . 6.000 5.160 4.322 6.024 0.024 8 0 "[ . 1 . 2]" 5
342 1 224 VAL CG2 1 226 GLY H 4.000 . 6.000 5.376 5.068 6.046 0.046 8 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 154
_Distance_constraint_stats_list.Viol_count 514
_Distance_constraint_stats_list.Viol_total 437.253
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0425
_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 8 LEU 0.042 0.024 15 0 "[ . 1 . 2]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.060 0.036 16 0 "[ . 1 . 2]"
1 11 CYS 0.039 0.015 13 0 "[ . 1 . 2]"
1 12 ASN 0.042 0.024 15 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.060 0.036 16 0 "[ . 1 . 2]"
1 15 TYR 0.039 0.015 13 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.003 0.003 3 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.003 0.003 3 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 3.542 0.138 4 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 4.633 0.138 4 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.053 0.024 14 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TRP 1.039 0.100 14 0 "[ . 1 . 2]"
1 75 SER 3.015 0.097 10 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.195 0.120 10 0 "[ . 1 . 2]"
1 78 HIS 3.483 0.097 10 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.195 0.120 10 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.080 0.027 15 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.080 0.027 15 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 CYS 0.468 0.054 14 0 "[ . 1 . 2]"
1 108 THR 2.630 0.154 14 0 "[ . 1 . 2]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 HIS 2.921 0.154 14 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.191 0.029 2 0 "[ . 1 . 2]"
1 119 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.019 0.012 14 0 "[ . 1 . 2]"
1 121 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 0.019 0.012 14 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.001 0.001 19 0 "[ . 1 . 2]"
1 140 ALA 0.101 0.015 14 0 "[ . 1 . 2]"
1 141 THR 1.416 0.106 3 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 HIS 1.497 0.106 3 0 "[ . 1 . 2]"
1 146 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 LEU 0.013 0.010 6 0 "[ . 1 . 2]"
1 153 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 HIS 0.013 0.010 6 0 "[ . 1 . 2]"
1 157 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 170 THR 0.001 0.001 19 0 "[ . 1 . 2]"
1 173 ASN 0.081 0.023 1 0 "[ . 1 . 2]"
1 174 THR 1.590 0.080 19 0 "[ . 1 . 2]"
1 175 PRO 0.059 0.022 18 0 "[ . 1 . 2]"
1 176 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 HIS 1.590 0.080 19 0 "[ . 1 . 2]"
1 179 ALA 0.059 0.022 18 0 "[ . 1 . 2]"
1 180 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 181 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 185 VAL 0.008 0.008 18 0 "[ . 1 . 2]"
1 186 GLU 0.229 0.070 14 0 "[ . 1 . 2]"
1 187 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 188 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 LYS 0.037 0.022 14 0 "[ . 1 . 2]"
1 190 LEU 0.229 0.070 14 0 "[ . 1 . 2]"
1 191 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 193 SER 0.029 0.022 14 0 "[ . 1 . 2]"
1 202 ASN 3.279 0.197 14 0 "[ . 1 . 2]"
1 206 LYS 3.279 0.197 14 0 "[ . 1 . 2]"
1 208 PRO 0.005 0.005 19 0 "[ . 1 . 2]"
1 209 LEU 1.086 0.088 15 0 "[ . 1 . 2]"
1 210 GLN 1.442 0.090 6 0 "[ . 1 . 2]"
1 212 ALA 0.005 0.005 19 0 "[ . 1 . 2]"
1 213 LYS 1.086 0.088 15 0 "[ . 1 . 2]"
1 214 GLY 1.442 0.090 6 0 "[ . 1 . 2]"
1 217 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 218 LEU 0.018 0.018 14 0 "[ . 1 . 2]"
1 219 ILE 1.131 0.074 16 0 "[ . 1 . 2]"
1 221 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 222 ARG 0.018 0.018 14 0 "[ . 1 . 2]"
1 223 MET 1.131 0.074 16 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 8 LEU O 1 12 ASN N 3.300 2.500 3.500 3.096 2.846 3.468 . 0 0 "[ . 1 . 2]" 6
2 1 8 LEU O 1 12 ASN H 2.300 . 2.500 2.148 1.892 2.524 0.024 15 0 "[ . 1 . 2]" 6
3 1 9 MET O 1 13 LEU N 3.300 2.500 3.500 2.846 2.683 3.067 . 0 0 "[ . 1 . 2]" 6
4 1 9 MET O 1 13 LEU H 2.300 . 2.500 1.946 1.766 2.220 . 0 0 "[ . 1 . 2]" 6
5 1 10 VAL O 1 14 ALA N 3.300 2.500 3.500 3.233 3.013 3.424 . 0 0 "[ . 1 . 2]" 6
6 1 10 VAL O 1 14 ALA H 2.300 . 2.500 2.332 2.081 2.536 0.036 16 0 "[ . 1 . 2]" 6
7 1 11 CYS O 1 15 TYR N 3.300 2.500 3.500 3.272 3.086 3.388 . 0 0 "[ . 1 . 2]" 6
8 1 11 CYS O 1 15 TYR H 2.300 . 2.500 2.402 2.222 2.515 0.015 13 0 "[ . 1 . 2]" 6
9 1 12 ASN O 1 16 SER N 3.300 2.500 3.500 2.819 2.599 2.977 . 0 0 "[ . 1 . 2]" 6
10 1 12 ASN O 1 16 SER H 2.300 . 2.500 1.932 1.704 2.087 . 0 0 "[ . 1 . 2]" 6
11 1 19 LEU O 1 23 LYS N 3.300 2.500 3.500 2.894 2.647 3.184 . 0 0 "[ . 1 . 2]" 6
12 1 19 LEU O 1 23 LYS H 2.300 . 2.500 2.017 1.715 2.374 . 0 0 "[ . 1 . 2]" 6
13 1 20 GLU O 1 24 GLU N 3.300 2.500 3.500 3.164 2.883 3.469 . 0 0 "[ . 1 . 2]" 6
14 1 20 GLU O 1 24 GLU H 2.300 . 2.500 2.195 1.904 2.503 0.003 3 0 "[ . 1 . 2]" 6
15 1 21 GLU O 1 25 SER N 3.300 2.500 3.500 2.981 2.712 3.208 . 0 0 "[ . 1 . 2]" 6
16 1 21 GLU O 1 25 SER H 2.300 . 2.500 2.160 1.833 2.391 . 0 0 "[ . 1 . 2]" 6
17 1 22 LEU O 1 26 ILE N 3.300 2.500 3.500 2.899 2.702 3.044 . 0 0 "[ . 1 . 2]" 6
18 1 22 LEU O 1 26 ILE H 2.300 . 2.500 1.952 1.750 2.108 . 0 0 "[ . 1 . 2]" 6
19 1 23 LYS O 1 27 LEU N 3.300 2.500 3.500 2.754 2.574 2.984 . 0 0 "[ . 1 . 2]" 6
20 1 23 LYS O 1 27 LEU H 2.300 . 2.500 1.875 1.667 2.082 . 0 0 "[ . 1 . 2]" 6
21 1 43 ALA O 1 47 ALA N 3.300 2.500 3.500 2.673 2.583 2.794 . 0 0 "[ . 1 . 2]" 6
22 1 43 ALA O 1 47 ALA H 2.300 . 2.500 1.767 1.659 1.939 . 0 0 "[ . 1 . 2]" 6
23 1 44 LEU O 1 48 CYS N 3.300 2.500 3.500 2.858 2.733 3.015 . 0 0 "[ . 1 . 2]" 6
24 1 44 LEU O 1 48 CYS H 2.300 . 2.500 1.906 1.769 2.075 . 0 0 "[ . 1 . 2]" 6
25 1 45 HIS O 1 49 SER N 3.300 2.500 3.500 3.299 3.147 3.412 . 0 0 "[ . 1 . 2]" 6
26 1 45 HIS O 1 49 SER H 2.300 . 2.500 2.401 2.234 2.524 0.024 14 0 "[ . 1 . 2]" 6
27 1 53 THR O 1 57 GLU N 3.300 2.500 3.500 2.764 2.609 2.936 . 0 0 "[ . 1 . 2]" 6
28 1 53 THR O 1 57 GLU H 2.300 . 2.500 1.841 1.667 1.963 . 0 0 "[ . 1 . 2]" 6
29 1 54 GLU O 1 58 PHE N 3.300 2.500 3.500 3.046 2.831 3.204 . 0 0 "[ . 1 . 2]" 6
30 1 54 GLU O 1 58 PHE H 2.300 . 2.500 2.121 1.914 2.279 . 0 0 "[ . 1 . 2]" 6
31 1 55 ILE O 1 59 LEU N 3.300 2.500 3.500 2.992 2.847 3.180 . 0 0 "[ . 1 . 2]" 6
32 1 55 ILE O 1 59 LEU H 2.300 . 2.500 2.067 1.929 2.291 . 0 0 "[ . 1 . 2]" 6
33 1 56 VAL O 1 60 LEU N 3.300 2.500 3.500 2.878 2.726 3.239 . 0 0 "[ . 1 . 2]" 6
34 1 56 VAL O 1 60 LEU H 2.300 . 2.500 1.967 1.788 2.361 . 0 0 "[ . 1 . 2]" 6
35 1 57 GLU O 1 61 GLN N 3.300 2.500 3.500 2.752 2.615 3.004 . 0 0 "[ . 1 . 2]" 6
36 1 57 GLU O 1 61 GLN H 2.300 . 2.500 1.865 1.668 2.212 . 0 0 "[ . 1 . 2]" 6
37 1 76 PRO O 1 80 ALA N 3.300 2.500 3.500 2.919 2.661 3.293 . 0 0 "[ . 1 . 2]" 6
38 1 76 PRO O 1 80 ALA H 2.300 . 2.500 1.997 1.701 2.463 . 0 0 "[ . 1 . 2]" 6
39 1 77 LEU O 1 81 ALA N 3.300 2.500 3.500 3.035 2.808 3.505 0.005 10 0 "[ . 1 . 2]" 6
40 1 77 LEU O 1 81 ALA H 2.300 . 2.500 2.091 1.875 2.620 0.120 10 0 "[ . 1 . 2]" 6
41 1 78 HIS O 1 82 SER N 3.300 2.500 3.500 3.017 2.776 3.330 . 0 0 "[ . 1 . 2]" 6
42 1 78 HIS O 1 82 SER H 2.300 . 2.500 2.131 1.930 2.496 . 0 0 "[ . 1 . 2]" 6
43 1 86 ASP O 1 90 LYS N 3.300 2.500 3.500 2.965 2.812 3.122 . 0 0 "[ . 1 . 2]" 6
44 1 86 ASP O 1 90 LYS H 2.300 . 2.500 2.079 1.885 2.240 . 0 0 "[ . 1 . 2]" 6
45 1 87 GLU O 1 91 ALA N 3.300 2.500 3.500 2.923 2.788 3.094 . 0 0 "[ . 1 . 2]" 6
46 1 87 GLU O 1 91 ALA H 2.300 . 2.500 2.032 1.913 2.172 . 0 0 "[ . 1 . 2]" 6
47 1 88 ILE O 1 92 LEU N 3.300 2.500 3.500 2.860 2.721 3.069 . 0 0 "[ . 1 . 2]" 6
48 1 88 ILE O 1 92 LEU H 2.300 . 2.500 2.104 1.976 2.270 . 0 0 "[ . 1 . 2]" 6
49 1 89 VAL O 1 93 LEU N 3.300 2.500 3.500 3.368 3.236 3.441 . 0 0 "[ . 1 . 2]" 6
50 1 89 VAL O 1 93 LEU H 2.300 . 2.500 2.465 2.346 2.527 0.027 15 0 "[ . 1 . 2]" 6
51 1 90 LYS O 1 94 GLY N 3.300 2.500 3.500 3.091 2.953 3.229 . 0 0 "[ . 1 . 2]" 6
52 1 90 LYS O 1 94 GLY H 2.300 . 2.500 2.183 2.029 2.340 . 0 0 "[ . 1 . 2]" 6
53 1 109 PRO O 1 113 ALA N 3.300 2.500 3.500 2.776 2.583 3.333 . 0 0 "[ . 1 . 2]" 6
54 1 109 PRO O 1 113 ALA H 2.300 . 2.500 1.834 1.645 2.407 . 0 0 "[ . 1 . 2]" 6
55 1 110 LEU O 1 114 ALA N 3.300 2.500 3.500 2.788 2.550 3.307 . 0 0 "[ . 1 . 2]" 6
56 1 110 LEU O 1 114 ALA H 2.300 . 2.500 1.896 1.679 2.452 . 0 0 "[ . 1 . 2]" 6
57 1 111 HIS O 1 115 SER N 3.300 2.500 3.500 3.352 3.184 3.455 . 0 0 "[ . 1 . 2]" 6
58 1 111 HIS O 1 115 SER H 2.300 . 2.500 2.473 2.315 2.529 0.029 2 0 "[ . 1 . 2]" 6
59 1 119 HIS O 1 123 VAL N 3.300 2.500 3.500 3.167 2.978 3.299 . 0 0 "[ . 1 . 2]" 6
60 1 119 HIS O 1 123 VAL H 2.300 . 2.500 2.253 2.031 2.435 . 0 0 "[ . 1 . 2]" 6
61 1 120 GLU O 1 124 MET N 3.300 2.500 3.500 3.236 3.022 3.434 . 0 0 "[ . 1 . 2]" 6
62 1 120 GLU O 1 124 MET H 2.300 . 2.500 2.302 2.066 2.512 0.012 14 0 "[ . 1 . 2]" 6
63 1 121 ILE O 1 125 LEU N 3.300 2.500 3.500 3.098 2.764 3.431 . 0 0 "[ . 1 . 2]" 6
64 1 121 ILE O 1 125 LEU H 2.300 . 2.500 2.211 1.908 2.494 . 0 0 "[ . 1 . 2]" 6
65 1 122 ALA O 1 126 LEU N 3.300 2.500 3.500 3.058 2.769 3.311 . 0 0 "[ . 1 . 2]" 6
66 1 122 ALA O 1 126 LEU H 2.300 . 2.500 2.171 1.864 2.470 . 0 0 "[ . 1 . 2]" 6
67 1 142 ALA O 1 146 ALA N 3.300 2.500 3.500 3.169 2.965 3.318 . 0 0 "[ . 1 . 2]" 6
68 1 142 ALA O 1 146 ALA H 2.300 . 2.500 2.275 2.015 2.464 . 0 0 "[ . 1 . 2]" 6
69 1 143 MET O 1 147 ALA N 3.300 2.500 3.500 2.919 2.664 3.069 . 0 0 "[ . 1 . 2]" 6
70 1 143 MET O 1 147 ALA H 2.300 . 2.500 1.947 1.710 2.099 . 0 0 "[ . 1 . 2]" 6
71 1 144 HIS O 1 148 ALA N 3.300 2.500 3.500 3.106 2.811 3.278 . 0 0 "[ . 1 . 2]" 6
72 1 144 HIS O 1 148 ALA H 2.300 . 2.500 2.264 1.939 2.479 . 0 0 "[ . 1 . 2]" 6
73 1 152 LEU O 1 156 HIS N 3.300 2.500 3.500 3.219 2.963 3.343 . 0 0 "[ . 1 . 2]" 6
74 1 152 LEU O 1 156 HIS H 2.300 . 2.500 2.393 2.125 2.510 0.010 6 0 "[ . 1 . 2]" 6
75 1 153 LYS O 1 157 ILE N 3.300 2.500 3.500 3.178 3.002 3.433 . 0 0 "[ . 1 . 2]" 6
76 1 153 LYS O 1 157 ILE H 2.300 . 2.500 2.224 2.035 2.471 . 0 0 "[ . 1 . 2]" 6
77 1 154 MET O 1 158 LEU N 3.300 2.500 3.500 2.882 2.786 3.107 . 0 0 "[ . 1 . 2]" 6
78 1 154 MET O 1 158 LEU H 2.300 . 2.500 1.949 1.845 2.198 . 0 0 "[ . 1 . 2]" 6
79 1 155 ILE O 1 159 LEU N 3.300 2.500 3.500 3.065 2.936 3.175 . 0 0 "[ . 1 . 2]" 6
80 1 155 ILE O 1 159 LEU H 2.300 . 2.500 2.193 2.089 2.342 . 0 0 "[ . 1 . 2]" 6
81 1 156 HIS O 1 160 TYR N 3.300 2.500 3.500 2.851 2.673 3.092 . 0 0 "[ . 1 . 2]" 6
82 1 156 HIS O 1 160 TYR H 2.300 . 2.500 2.052 1.869 2.309 . 0 0 "[ . 1 . 2]" 6
83 1 175 PRO O 1 179 ALA N 3.300 2.500 3.500 3.252 3.083 3.389 . 0 0 "[ . 1 . 2]" 6
84 1 175 PRO O 1 179 ALA H 2.300 . 2.500 2.380 2.194 2.522 0.022 18 0 "[ . 1 . 2]" 6
85 1 176 LEU O 1 180 CYS N 3.300 2.500 3.500 2.773 2.623 3.015 . 0 0 "[ . 1 . 2]" 6
86 1 176 LEU O 1 180 CYS H 2.300 . 2.500 1.828 1.712 2.064 . 0 0 "[ . 1 . 2]" 6
87 1 177 HIS O 1 181 ASP N 3.300 2.500 3.500 3.023 2.742 3.245 . 0 0 "[ . 1 . 2]" 6
88 1 177 HIS O 1 181 ASP H 2.300 . 2.500 2.081 1.783 2.299 . 0 0 "[ . 1 . 2]" 6
89 1 185 VAL O 1 189 LYS N 3.300 2.500 3.500 2.950 2.492 3.244 0.008 18 0 "[ . 1 . 2]" 6
90 1 185 VAL O 1 189 LYS H 2.300 . 2.500 2.063 1.594 2.369 . 0 0 "[ . 1 . 2]" 6
91 1 186 GLU O 1 190 LEU N 3.300 2.500 3.500 3.109 2.632 3.519 0.019 14 0 "[ . 1 . 2]" 6
92 1 186 GLU O 1 190 LEU H 2.300 . 2.500 2.186 1.718 2.570 0.070 14 0 "[ . 1 . 2]" 6
93 1 187 GLU O 1 191 LEU N 3.300 2.500 3.500 3.052 2.946 3.183 . 0 0 "[ . 1 . 2]" 6
94 1 187 GLU O 1 191 LEU H 2.300 . 2.500 2.118 2.006 2.271 . 0 0 "[ . 1 . 2]" 6
95 1 188 ALA O 1 192 VAL N 3.300 2.500 3.500 2.975 2.573 3.343 . 0 0 "[ . 1 . 2]" 6
96 1 188 ALA O 1 192 VAL H 2.300 . 2.500 2.036 1.654 2.392 . 0 0 "[ . 1 . 2]" 6
97 1 189 LYS O 1 193 SER N 3.300 2.500 3.500 3.215 3.067 3.334 . 0 0 "[ . 1 . 2]" 6
98 1 189 LYS O 1 193 SER H 2.300 . 2.500 2.403 2.256 2.522 0.022 14 0 "[ . 1 . 2]" 6
99 1 208 PRO O 1 212 ALA N 3.300 2.500 3.500 2.701 2.495 2.971 0.005 19 0 "[ . 1 . 2]" 6
100 1 208 PRO O 1 212 ALA H 2.300 . 2.500 2.235 2.026 2.491 . 0 0 "[ . 1 . 2]" 6
101 1 209 LEU O 1 213 LYS N 3.300 2.500 3.500 3.469 3.196 3.524 0.024 8 0 "[ . 1 . 2]" 6
102 1 209 LEU O 1 213 LYS H 2.300 . 2.500 2.550 2.517 2.588 0.088 15 0 "[ . 1 . 2]" 6
103 1 210 GLN O 1 214 GLY N 3.300 2.500 3.500 3.464 3.414 3.552 0.052 15 0 "[ . 1 . 2]" 6
104 1 210 GLN O 1 214 GLY H 2.300 . 2.500 2.569 2.549 2.590 0.090 6 0 "[ . 1 . 2]" 6
105 1 217 GLY O 1 221 LYS N 3.300 2.500 3.500 2.851 2.595 3.171 . 0 0 "[ . 1 . 2]" 6
106 1 217 GLY O 1 221 LYS H 2.300 . 2.500 1.964 1.734 2.286 . 0 0 "[ . 1 . 2]" 6
107 1 218 LEU O 1 222 ARG N 3.300 2.500 3.500 3.019 2.568 3.343 . 0 0 "[ . 1 . 2]" 6
108 1 218 LEU O 1 222 ARG H 2.300 . 2.500 2.141 1.716 2.518 0.018 14 0 "[ . 1 . 2]" 6
109 1 219 ILE O 1 223 MET N 3.300 2.500 3.500 3.479 3.427 3.508 0.008 19 0 "[ . 1 . 2]" 6
110 1 219 ILE O 1 223 MET H 2.300 . 2.500 2.556 2.530 2.574 0.074 16 0 "[ . 1 . 2]" 6
111 1 202 ASN H 1 206 LYS O 3.300 2.500 3.500 2.436 2.377 2.485 0.123 14 0 "[ . 1 . 2]" 6
112 1 202 ASN N 1 206 LYS O 2.300 . 2.500 2.600 2.555 2.697 0.197 14 0 "[ . 1 . 2]" 6
113 1 138 TYR O 1 170 THR N 3.300 2.500 3.500 2.919 2.506 3.360 . 0 0 "[ . 1 . 2]" 6
114 1 138 TYR O 1 170 THR H 2.300 . 2.500 2.039 1.528 2.501 0.001 19 0 "[ . 1 . 2]" 6
115 1 42 THR N 1 45 HIS ND1 3.300 2.500 3.500 3.325 3.096 3.475 . 0 0 "[ . 1 . 2]" 6
116 1 42 THR H 1 45 HIS ND1 2.300 . 2.500 2.557 2.524 2.596 0.096 14 0 "[ . 1 . 2]" 6
117 1 42 THR OG1 1 45 HIS N 3.300 2.500 3.500 3.519 3.484 3.544 0.044 15 0 "[ . 1 . 2]" 6
118 1 42 THR OG1 1 45 HIS H 2.300 . 2.500 2.583 2.525 2.638 0.138 4 0 "[ . 1 . 2]" 6
119 1 42 THR OG1 1 45 HIS ND1 3.300 2.500 3.500 3.054 2.586 3.314 . 0 0 "[ . 1 . 2]" 6
120 1 42 THR HG1 1 45 HIS ND1 2.300 . 2.500 2.511 2.438 2.537 0.037 13 0 "[ . 1 . 2]" 6
121 1 45 HIS NE2 1 74 TRP O 3.300 2.500 3.500 3.318 3.106 3.480 . 0 0 "[ . 1 . 2]" 6
122 1 45 HIS HE2 1 74 TRP O 2.300 . 2.500 2.552 2.522 2.600 0.100 14 0 "[ . 1 . 2]" 6
123 1 75 SER N 1 78 HIS ND1 3.300 2.500 3.500 3.515 3.436 3.561 0.061 2 0 "[ . 1 . 2]" 6
124 1 75 SER H 1 78 HIS ND1 2.300 . 2.500 2.564 2.536 2.588 0.088 20 0 "[ . 1 . 2]" 6
125 1 75 SER OG 1 78 HIS N 3.300 2.500 3.500 3.383 3.200 3.496 . 0 0 "[ . 1 . 2]" 6
126 1 75 SER OG 1 78 HIS H 2.300 . 2.500 2.495 2.331 2.597 0.097 10 0 "[ . 1 . 2]" 6
127 1 75 SER OG 1 78 HIS ND1 3.300 2.500 3.500 3.306 2.695 3.467 . 0 0 "[ . 1 . 2]" 6
128 1 75 SER HG 1 78 HIS ND1 2.300 . 2.500 2.546 2.489 2.571 0.071 17 0 "[ . 1 . 2]" 6
129 1 78 HIS NE2 1 107 CYS O 3.300 2.500 3.500 3.081 2.496 3.227 0.004 18 0 "[ . 1 . 2]" 6
130 1 78 HIS HE2 1 107 CYS O 2.300 . 2.500 2.419 1.858 2.554 0.054 14 0 "[ . 1 . 2]" 6
131 1 108 THR N 1 111 HIS ND1 3.300 2.500 3.500 3.228 3.027 3.449 . 0 0 "[ . 1 . 2]" 6
132 1 108 THR H 1 111 HIS ND1 2.300 . 2.500 2.601 2.511 2.654 0.154 14 0 "[ . 1 . 2]" 6
133 1 108 THR OG1 1 111 HIS N 3.300 2.500 3.500 3.469 3.388 3.516 0.016 13 0 "[ . 1 . 2]" 6
134 1 108 THR OG1 1 111 HIS H 2.300 . 2.500 2.518 2.450 2.552 0.052 1 0 "[ . 1 . 2]" 6
135 1 108 THR OG1 1 111 HIS ND1 3.300 2.500 3.500 2.845 2.497 3.303 0.003 14 0 "[ . 1 . 2]" 6
136 1 108 THR HG1 1 111 HIS ND1 2.300 . 2.500 2.436 2.274 2.525 0.025 2 0 "[ . 1 . 2]" 6
137 1 111 HIS NE2 1 140 ALA O 3.300 2.500 3.500 3.306 3.081 3.473 . 0 0 "[ . 1 . 2]" 6
138 1 111 HIS HE2 1 140 ALA O 2.300 . 2.500 2.453 2.204 2.515 0.015 14 0 "[ . 1 . 2]" 6
139 1 141 THR N 1 144 HIS ND1 3.300 2.500 3.500 3.171 3.085 3.258 . 0 0 "[ . 1 . 2]" 6
140 1 141 THR H 1 144 HIS ND1 2.300 . 2.500 2.380 2.247 2.509 0.009 20 0 "[ . 1 . 2]" 6
141 1 141 THR OG1 1 144 HIS N 3.300 2.500 3.500 3.410 3.270 3.521 0.021 16 0 "[ . 1 . 2]" 6
142 1 141 THR OG1 1 144 HIS H 2.300 . 2.500 2.464 2.325 2.576 0.076 16 0 "[ . 1 . 2]" 6
143 1 141 THR OG1 1 144 HIS ND1 3.300 2.500 3.500 2.497 2.454 2.533 0.046 7 0 "[ . 1 . 2]" 6
144 1 141 THR HG1 1 144 HIS ND1 2.300 . 2.500 2.539 2.506 2.606 0.106 3 0 "[ . 1 . 2]" 6
145 1 144 HIS NE2 1 173 ASN O 3.300 2.500 3.500 2.657 2.477 3.412 0.023 1 0 "[ . 1 . 2]" 6
146 1 144 HIS HE2 1 173 ASN O 2.300 . 2.500 1.961 1.658 2.504 0.004 8 0 "[ . 1 . 2]" 6
147 1 174 THR N 1 177 HIS ND1 3.300 2.500 3.500 3.439 3.354 3.509 0.009 14 0 "[ . 1 . 2]" 6
148 1 174 THR H 1 177 HIS ND1 2.300 . 2.500 2.545 2.509 2.580 0.080 19 0 "[ . 1 . 2]" 6
149 1 174 THR OG1 1 177 HIS N 3.300 2.500 3.500 3.459 3.387 3.501 0.001 6 0 "[ . 1 . 2]" 6
150 1 174 THR OG1 1 177 HIS H 2.300 . 2.500 2.519 2.454 2.542 0.042 6 0 "[ . 1 . 2]" 6
151 1 174 THR OG1 1 177 HIS ND1 3.300 2.500 3.500 2.979 2.543 3.471 . 0 0 "[ . 1 . 2]" 6
152 1 174 THR HG1 1 177 HIS ND1 2.300 . 2.500 2.487 2.367 2.536 0.036 8 0 "[ . 1 . 2]" 6
153 1 177 HIS NE2 1 206 LYS O 3.300 2.500 3.500 2.762 2.551 3.201 . 0 0 "[ . 1 . 2]" 6
154 1 177 HIS HE2 1 206 LYS O 2.300 . 2.500 1.860 1.643 2.266 . 0 0 "[ . 1 . 2]" 6
stop_
save_
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