NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513360 |
2lb5   |
17546 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lb5
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 387
_Distance_constraint_stats_list.Viol_count 979
_Distance_constraint_stats_list.Viol_total 3753.169
_Distance_constraint_stats_list.Viol_max 0.924
_Distance_constraint_stats_list.Viol_rms 0.0815
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0242
_Distance_constraint_stats_list.Viol_average_violations_only 0.1917
_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 31 LEU 0.278 0.200 11 0 "[ . 1 . 2]"
1 32 ASP 2.119 0.459 13 0 "[ . 1 . 2]"
1 33 GLN 0.524 0.459 13 0 "[ . 1 . 2]"
1 34 ILE 0.078 0.037 9 0 "[ . 1 . 2]"
1 35 LEU 0.473 0.131 14 0 "[ . 1 . 2]"
1 36 ARG 12.138 0.639 5 2 "[ + - . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 7.605 0.498 8 0 "[ . 1 . 2]"
1 39 VAL 8.264 0.639 5 2 "[ + - . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 8.912 0.709 3 1 "[ + . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.856 0.355 15 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 7.252 0.709 3 3 "[ + . * - . 2]"
1 49 ASP 4.164 0.370 4 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 6.931 0.703 10 4 "[ *. + - . * 2]"
1 52 LYS 0.977 0.221 15 0 "[ . 1 . 2]"
1 53 VAL 5.444 0.407 5 0 "[ . 1 . 2]"
1 54 TYR 5.016 0.402 11 0 "[ . 1 . 2]"
1 56 PHE 5.440 0.285 12 0 "[ . 1 . 2]"
1 57 ASP 5.440 0.285 12 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 1.351 0.558 16 1 "[ . 1 .+ 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 6.393 0.356 2 0 "[ . 1 . 2]"
1 66 ALA 6.135 0.356 2 0 "[ . 1 . 2]"
1 67 GLU 0.868 0.048 11 0 "[ . 1 . 2]"
1 68 ALA 3.594 0.546 17 2 "[ -. 1 . + 2]"
1 69 ARG 0.958 0.127 10 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.384 0.121 17 0 "[ . 1 . 2]"
1 72 GLU 0.723 0.127 10 0 "[ . 1 . 2]"
1 73 ARG 7.742 0.600 14 3 "[ . * 1 +.- 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.412 0.173 6 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PHE 5.029 0.499 16 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.832 0.228 15 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.005 0.005 9 0 "[ . 1 . 2]"
1 92 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 10.324 0.924 2 5 "[ + *. -1* . * 2]"
1 97 LEU 1.562 0.270 6 0 "[ . 1 . 2]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLN 9.312 0.924 2 5 "[ + *. -1* . * 2]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 7.053 0.579 18 1 "[ . 1 . + 2]"
1 103 ILE 7.102 0.576 20 1 "[ . 1 . +]"
1 104 VAL 0.072 0.072 19 0 "[ . 1 . 2]"
1 105 ASP 20.325 0.524 16 1 "[ . 1 .+ 2]"
1 106 VAL 4.847 0.643 14 3 "[ . * 1 - +. 2]"
1 107 GLU 12.520 0.484 18 0 "[ . 1 . 2]"
1 108 ALA 7.977 0.432 5 0 "[ . 1 . 2]"
1 109 GLN 2.112 0.643 14 1 "[ . 1 +. 2]"
1 110 SER 0.568 0.207 17 0 "[ . 1 . 2]"
1 111 ARG 1.468 0.145 15 0 "[ . 1 . 2]"
1 112 SER 0.881 0.060 15 0 "[ . 1 . 2]"
1 113 ILE 1.714 0.425 6 0 "[ . 1 . 2]"
1 114 SER 0.267 0.122 14 0 "[ . 1 . 2]"
1 123 ALA 2.069 0.395 3 0 "[ . 1 . 2]"
1 124 ARG 2.848 0.395 3 0 "[ . 1 . 2]"
1 125 VAL 2.173 0.270 6 0 "[ . 1 . 2]"
1 126 PRO 0.998 0.158 6 0 "[ . 1 . 2]"
1 127 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLY 0.829 0.235 15 0 "[ . 1 . 2]"
1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 GLN 2.185 0.337 5 0 "[ . 1 . 2]"
1 133 ARG 2.479 0.337 5 0 "[ . 1 . 2]"
1 134 PRO 0.605 0.207 17 0 "[ . 1 . 2]"
1 135 VAL 2.219 0.245 5 0 "[ . 1 . 2]"
1 136 ASP 0.094 0.094 12 0 "[ . 1 . 2]"
1 137 PRO 1.797 0.425 6 0 "[ . 1 . 2]"
1 139 HIS 2.670 0.618 8 2 "[ . + 1 - . 2]"
1 140 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 HIS 1.290 0.290 17 0 "[ . 1 . 2]"
1 142 TYR 1.889 0.290 17 0 "[ . 1 . 2]"
1 143 LEU 10.139 0.524 16 1 "[ . 1 .+ 2]"
1 144 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 MET 7.841 0.499 16 0 "[ . 1 . 2]"
1 147 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 VAL 11.749 0.384 7 0 "[ . 1 . 2]"
1 149 ALA 7.258 0.367 1 0 "[ . 1 . 2]"
1 150 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 SER 6.981 0.579 18 1 "[ . 1 . + 2]"
1 152 LEU 1.971 0.134 15 0 "[ . 1 . 2]"
1 153 VAL 1.413 0.193 8 0 "[ . 1 . 2]"
1 155 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 MET 11.341 0.390 19 0 "[ . 1 . 2]"
1 158 HIS 7.879 0.414 1 0 "[ . 1 . 2]"
1 160 GLN 0.688 0.204 15 0 "[ . 1 . 2]"
1 161 GLU 15.081 0.396 19 0 "[ . 1 . 2]"
1 162 LEU 2.308 0.206 1 0 "[ . 1 . 2]"
1 163 TRP 5.223 0.396 19 0 "[ . 1 . 2]"
1 165 LEU 5.016 0.402 11 0 "[ . 1 . 2]"
1 166 LEU 3.371 0.384 3 0 "[ . 1 . 2]"
1 167 VAL 2.478 0.384 3 0 "[ . 1 . 2]"
1 168 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 169 HIS 0.061 0.035 14 0 "[ . 1 . 2]"
1 170 HIS 3.458 0.384 7 0 "[ . 1 . 2]"
1 171 ALA 3.289 0.301 9 0 "[ . 1 . 2]"
1 172 GLU 7.742 0.600 14 3 "[ . * 1 +.- 2]"
1 175 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 176 TYR 4.578 0.576 20 1 "[ . 1 . +]"
1 178 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 183 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 184 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 186 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 187 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 190 GLN 0.918 0.429 1 0 "[ . 1 . 2]"
1 191 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 SER 3.648 0.473 4 0 "[ . 1 . 2]"
1 193 ILE 4.567 0.473 4 0 "[ . 1 . 2]"
1 194 ALA 0.473 0.131 14 0 "[ . 1 . 2]"
1 195 ILE 0.042 0.026 14 0 "[ . 1 . 2]"
1 196 ALA 6.955 0.414 1 0 "[ . 1 . 2]"
1 198 ALA 0.873 0.130 16 0 "[ . 1 . 2]"
1 199 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 200 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 201 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 202 LEU 0.873 0.130 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 31 LEU HA 1 34 ILE HB 3.100 . 4.400 3.255 2.469 4.437 0.037 9 0 "[ . 1 . 2]" 1
2 1 31 LEU QB 1 32 ASP QB 4.100 . 5.800 4.074 3.577 4.518 . 0 0 "[ . 1 . 2]" 1
3 1 31 LEU QD 1 195 ILE HA 3.000 . 4.200 2.364 2.071 2.705 . 0 0 "[ . 1 . 2]" 1
4 1 31 LEU QD 1 198 ALA MB 2.200 . 3.100 1.953 1.799 2.504 . 0 0 "[ . 1 . 2]" 1
5 1 31 LEU QD 1 32 ASP H 2.900 . 4.100 3.545 2.575 4.300 0.200 11 0 "[ . 1 . 2]" 1
6 1 32 ASP HA 1 32 ASP QB 2.600 . 3.600 2.322 2.188 2.415 . 0 0 "[ . 1 . 2]" 1
7 1 32 ASP HA 1 35 LEU QD 2.700 . 3.800 2.865 2.486 3.122 . 0 0 "[ . 1 . 2]" 1
8 1 32 ASP QB 1 35 LEU QD 3.900 . 5.500 4.408 3.950 4.767 . 0 0 "[ . 1 . 2]" 1
9 1 32 ASP QB 1 33 GLN HA 3.900 . 5.500 4.098 3.839 4.376 . 0 0 "[ . 1 . 2]" 1
10 1 32 ASP QB 1 36 ARG QG 4.100 . 5.700 5.338 3.759 5.862 0.162 9 0 "[ . 1 . 2]" 1
11 1 32 ASP H 1 33 GLN QG 4.100 . 5.700 4.363 4.095 6.159 0.459 13 0 "[ . 1 . 2]" 1
12 1 33 GLN HA 1 33 GLN QB 2.500 . 3.500 2.389 2.383 2.396 . 0 0 "[ . 1 . 2]" 1
13 1 33 GLN QB 1 34 ILE H 3.000 . 3.800 2.345 2.250 2.469 . 0 0 "[ . 1 . 2]" 1
14 1 33 GLN HA 1 33 GLN QG 2.000 . 2.800 2.337 2.324 2.352 . 0 0 "[ . 1 . 2]" 1
15 1 33 GLN QB 1 33 GLN QG 2.300 . 3.200 2.107 2.106 2.108 . 0 0 "[ . 1 . 2]" 1
16 1 33 GLN H 1 33 GLN QG 2.800 . 3.900 2.389 2.142 3.965 0.065 13 0 "[ . 1 . 2]" 1
17 1 33 GLN QG 1 34 ILE HA 4.600 . 6.400 5.617 3.523 5.750 . 0 0 "[ . 1 . 2]" 1
18 1 33 GLN H 1 34 ILE MD 3.800 . 5.300 3.817 3.306 4.803 . 0 0 "[ . 1 . 2]" 1
19 1 33 GLN H 1 35 LEU QD 4.600 . 6.500 4.980 4.763 5.229 . 0 0 "[ . 1 . 2]" 1
20 1 34 ILE HA 1 37 ALA MB 2.800 . 3.900 3.458 3.137 3.696 . 0 0 "[ . 1 . 2]" 1
21 1 35 LEU HA 1 38 THR H 3.700 2.200 5.200 3.084 2.836 3.493 . 0 0 "[ . 1 . 2]" 1
22 1 35 LEU HA 1 35 LEU QD 3.300 . 3.900 2.087 2.038 2.173 . 0 0 "[ . 1 . 2]" 1
23 1 35 LEU H 1 35 LEU QD 2.900 . 3.900 3.133 2.919 3.261 . 0 0 "[ . 1 . 2]" 1
24 1 35 LEU QD 1 194 ALA MB 2.500 . 3.500 3.384 2.875 3.631 0.131 14 0 "[ . 1 . 2]" 1
25 1 35 LEU QD 1 195 ILE MD 2.800 . 3.900 2.298 1.846 2.983 . 0 0 "[ . 1 . 2]" 1
26 1 36 ARG HA 1 36 ARG QB 2.600 . 3.700 2.453 2.412 2.517 . 0 0 "[ . 1 . 2]" 1
27 1 36 ARG HA 1 36 ARG QG 3.000 . 4.200 2.305 2.241 2.439 . 0 0 "[ . 1 . 2]" 1
28 1 36 ARG QB 1 36 ARG QD 3.000 . 4.200 2.256 2.115 2.890 . 0 0 "[ . 1 . 2]" 1
29 1 36 ARG QB 1 38 THR H 3.000 . 4.200 4.580 4.486 4.698 0.498 8 0 "[ . 1 . 2]" 1
30 1 36 ARG QB 1 39 VAL QG 3.000 . 4.200 4.250 3.776 4.839 0.639 5 2 "[ + - . 2]" 1
31 1 33 GLN HA 1 36 ARG H 2.800 . 3.900 3.431 3.347 3.561 . 0 0 "[ . 1 . 2]" 1
32 1 36 ARG H 1 36 ARG QB . . 2.400 2.202 2.097 2.276 . 0 0 "[ . 1 . 2]" 1
33 1 37 ALA HA 1 40 GLU QG 3.000 . 4.200 3.218 2.185 3.765 . 0 0 "[ . 1 . 2]" 1
34 1 37 ALA MB 1 40 GLU QG 3.800 . 5.300 4.507 3.385 5.047 . 0 0 "[ . 1 . 2]" 1
35 1 38 THR H 1 38 THR MG . . 3.200 2.130 1.880 2.409 . 0 0 "[ . 1 . 2]" 1
36 1 39 VAL HA 1 39 VAL HB 2.900 . 4.100 2.715 2.465 3.029 . 0 0 "[ . 1 . 2]" 1
37 1 39 VAL HA 1 39 VAL QG 2.400 . 3.400 2.153 2.026 2.284 . 0 0 "[ . 1 . 2]" 1
38 1 39 VAL HA 1 53 VAL H 3.800 2.300 5.300 5.558 5.270 5.707 0.407 5 0 "[ . 1 . 2]" 1
39 1 39 VAL QG 1 40 GLU QG 2.800 . 3.900 2.738 2.036 3.669 . 0 0 "[ . 1 . 2]" 1
40 1 39 VAL H 1 39 VAL HA 3.600 2.200 3.800 2.795 2.774 2.809 . 0 0 "[ . 1 . 2]" 1
41 1 39 VAL H 1 40 GLU QG 3.900 . 5.000 4.280 3.752 4.625 . 0 0 "[ . 1 . 2]" 1
42 1 40 GLU HA 1 40 GLU QG 2.600 . 3.600 2.608 2.266 3.299 . 0 0 "[ . 1 . 2]" 1
43 1 39 VAL HA 1 42 VAL HB 3.300 . 4.600 3.260 2.915 4.458 . 0 0 "[ . 1 . 2]" 1
44 1 39 VAL HA 1 42 VAL QG 2.800 . 3.900 3.217 2.196 3.709 . 0 0 "[ . 1 . 2]" 1
45 1 42 VAL H 1 42 VAL QG 2.700 . 3.800 2.078 1.889 2.255 . 0 0 "[ . 1 . 2]" 1
46 1 42 VAL QG 1 43 ARG HA 3.400 . 4.700 3.282 2.898 3.489 . 0 0 "[ . 1 . 2]" 1
47 1 39 VAL HA 1 42 VAL H 4.500 2.700 6.300 3.776 3.352 4.036 . 0 0 "[ . 1 . 2]" 1
48 1 42 VAL H 1 51 VAL QG 3.900 . 5.500 4.642 4.280 5.154 . 0 0 "[ . 1 . 2]" 1
49 1 43 ARG HA 1 44 ALA H 3.700 2.200 5.200 3.551 3.538 3.568 . 0 0 "[ . 1 . 2]" 1
50 1 43 ARG HA 1 47 GLY H 3.300 . 4.600 3.844 3.659 4.012 . 0 0 "[ . 1 . 2]" 1
51 1 43 ARG QG 1 48 THR MG 2.100 . 3.000 3.160 2.554 3.709 0.709 3 1 "[ + . 1 . 2]" 1
52 1 43 ARG QG 1 48 THR H 3.700 . 5.200 3.114 1.965 3.840 . 0 0 "[ . 1 . 2]" 1
53 1 43 ARG QG 1 49 ASP QB 3.700 . 5.200 5.408 5.276 5.570 0.370 4 0 "[ . 1 . 2]" 1
54 1 45 PHE HA 1 45 PHE QB 2.500 . 3.500 2.448 2.394 2.491 . 0 0 "[ . 1 . 2]" 1
55 1 45 PHE H 1 45 PHE HA 2.800 . 3.500 2.877 2.861 2.890 . 0 0 "[ . 1 . 2]" 1
56 1 45 PHE HA 1 45 PHE QD 2.600 . 3.700 2.741 2.313 2.918 . 0 0 "[ . 1 . 2]" 1
57 1 46 LEU QB 1 51 VAL HB 3.800 . 5.300 4.817 4.262 5.655 0.355 15 0 "[ . 1 . 2]" 1
58 1 45 PHE HA 1 46 LEU H 3.400 2.100 4.200 3.568 3.559 3.572 . 0 0 "[ . 1 . 2]" 1
59 1 46 LEU H 1 46 LEU QB . . 3.600 2.397 2.151 2.626 . 0 0 "[ . 1 . 2]" 1
60 1 46 LEU H 1 47 GLY QA 4.200 . 5.900 4.353 4.319 4.380 . 0 0 "[ . 1 . 2]" 1
61 1 47 GLY QA 1 48 THR H . . 3.200 2.827 2.459 2.878 . 0 0 "[ . 1 . 2]" 1
62 1 48 THR HB 1 51 VAL QG 2.400 . 3.400 3.176 2.065 4.103 0.703 10 2 "[ . + - . 2]" 1
63 1 49 ASP QB 1 69 ARG QB 4.500 . 6.300 4.394 3.700 5.062 . 0 0 "[ . 1 . 2]" 1
64 1 49 ASP QB 1 170 HIS HA 4.200 . 5.900 3.343 2.552 4.303 . 0 0 "[ . 1 . 2]" 1
65 1 49 ASP QB 1 70 GLY H 4.600 . 6.400 3.508 2.689 4.272 . 0 0 "[ . 1 . 2]" 1
66 1 50 ARG HA 1 50 ARG QG 3.700 . 5.200 2.324 2.263 2.405 . 0 0 "[ . 1 . 2]" 1
67 1 50 ARG HA 1 68 ALA MB 4.500 . 6.300 4.551 3.434 5.092 . 0 0 "[ . 1 . 2]" 1
68 1 50 ARG HA 1 69 ARG QB 4.700 . 6.100 3.791 2.754 4.688 . 0 0 "[ . 1 . 2]" 1
69 1 51 VAL HA 1 51 VAL QG 2.800 . 3.900 2.199 2.036 2.365 . 0 0 "[ . 1 . 2]" 1
70 1 51 VAL HA 1 52 LYS H 3.500 2.100 4.900 2.201 2.178 2.231 . 0 0 "[ . 1 . 2]" 1
71 1 51 VAL HB 1 68 ALA MB 4.100 . 5.700 4.371 2.785 5.518 . 0 0 "[ . 1 . 2]" 1
72 1 51 VAL QG 1 166 LEU QD 2.200 . 3.100 2.526 2.038 3.240 0.140 15 0 "[ . 1 . 2]" 1
73 1 51 VAL QG 1 168 SER QB 3.600 . 5.100 2.465 1.889 3.392 . 0 0 "[ . 1 . 2]" 1
74 1 51 VAL QG 1 52 LYS HA 2.900 . 4.100 3.494 3.161 4.321 0.221 15 0 "[ . 1 . 2]" 1
75 1 51 VAL QG 1 52 LYS H 3.200 . 3.600 2.516 2.206 3.283 . 0 0 "[ . 1 . 2]" 1
76 1 51 VAL QG 1 68 ALA MB 2.100 . 2.900 2.769 2.332 3.446 0.546 17 2 "[ -. 1 . + 2]" 1
77 1 52 LYS QB 1 66 ALA MB 2.900 . 4.100 4.043 3.915 4.187 0.087 15 0 "[ . 1 . 2]" 1
78 1 53 VAL QG 1 166 LEU QD 2.100 . 2.900 2.399 1.915 2.937 0.037 18 0 "[ . 1 . 2]" 1
79 1 53 VAL QG 1 65 VAL H 2.900 . 4.000 3.124 2.555 4.063 0.063 6 0 "[ . 1 . 2]" 1
80 1 53 VAL H 1 66 ALA MB 3.100 . 3.900 2.654 2.462 3.010 . 0 0 "[ . 1 . 2]" 1
81 1 54 TYR HA 1 165 LEU QB 3.600 . 5.000 4.820 4.665 5.054 0.054 14 0 "[ . 1 . 2]" 1
82 1 54 TYR HA 1 165 LEU QD 3.800 . 5.300 5.548 5.352 5.702 0.402 11 0 "[ . 1 . 2]" 1
83 1 54 TYR QB 1 167 VAL QG 4.000 . 5.200 3.619 3.222 4.010 . 0 0 "[ . 1 . 2]" 1
84 1 54 TYR QE 1 87 ILE MD 3.600 . 5.000 4.185 3.272 4.965 . 0 0 "[ . 1 . 2]" 1
85 1 56 PHE HA 1 57 ASP QB 4.700 . 6.000 4.294 3.958 4.523 . 0 0 "[ . 1 . 2]" 1
86 1 56 PHE HA 1 57 ASP H 4.100 2.500 4.100 2.228 2.215 2.239 0.285 12 0 "[ . 1 . 2]" 1
87 1 57 ASP QB 1 60 GLY QA 4.200 . 5.900 4.376 4.283 4.439 . 0 0 "[ . 1 . 2]" 1
88 1 58 PRO HA 1 58 PRO QG 2.800 . 3.900 3.179 2.900 3.495 . 0 0 "[ . 1 . 2]" 1
89 1 59 GLU HA 1 59 GLU QG 2.700 . 3.800 2.461 2.271 2.862 . 0 0 "[ . 1 . 2]" 1
90 1 61 HIS QB 1 62 GLY QA 4.200 . 5.900 3.871 3.825 3.932 . 0 0 "[ . 1 . 2]" 1
91 1 57 ASP QB 1 61 HIS QB 3.600 . 5.000 2.419 2.294 2.731 . 0 0 "[ . 1 . 2]" 1
92 1 62 GLY QA 1 63 THR H 3.900 . 4.400 2.231 2.182 2.262 . 0 0 "[ . 1 . 2]" 1
93 1 62 GLY H 1 83 PRO HA 3.400 . 4.800 4.248 3.867 4.507 . 0 0 "[ . 1 . 2]" 1
94 1 63 THR HA 1 64 VAL H 3.300 2.200 4.600 2.326 2.288 2.353 . 0 0 "[ . 1 . 2]" 1
95 1 63 THR HB 1 63 THR MG 2.000 . 2.800 2.136 2.125 2.147 . 0 0 "[ . 1 . 2]" 1
96 1 63 THR H 1 63 THR HB 4.200 . 5.200 3.780 2.920 3.867 . 0 0 "[ . 1 . 2]" 1
97 1 63 THR HB 1 65 VAL QG 3.200 . 4.500 3.716 2.903 4.801 0.301 12 0 "[ . 1 . 2]" 1
98 1 63 THR H 1 63 THR MG 2.400 . 3.400 3.085 2.904 3.958 0.558 16 1 "[ . 1 .+ 2]" 1
99 1 64 VAL HA 1 64 VAL QG 3.000 . 4.200 2.135 2.053 2.261 . 0 0 "[ . 1 . 2]" 1
100 1 64 VAL HA 1 65 VAL QG 3.300 . 4.600 3.306 3.179 4.039 . 0 0 "[ . 1 . 2]" 1
101 1 64 VAL QG 1 79 GLY QA 3.900 . 5.400 4.150 2.756 4.631 . 0 0 "[ . 1 . 2]" 1
102 1 65 VAL HA 1 65 VAL HB 2.600 . 3.700 2.488 2.414 2.624 . 0 0 "[ . 1 . 2]" 1
103 1 65 VAL HA 1 65 VAL QG 2.400 . 3.400 2.279 2.160 2.357 . 0 0 "[ . 1 . 2]" 1
104 1 65 VAL H 1 65 VAL QG 2.800 . 3.200 1.882 1.766 2.307 . 0 0 "[ . 1 . 2]" 1
105 1 65 VAL QG 1 66 ALA MB 2.700 . 3.800 2.529 2.314 2.681 . 0 0 "[ . 1 . 2]" 1
106 1 65 VAL QG 1 66 ALA H . . 2.600 2.870 2.757 2.956 0.356 2 0 "[ . 1 . 2]" 1
107 1 65 VAL QG 1 79 GLY QA 4.500 . 6.300 5.377 5.122 5.855 . 0 0 "[ . 1 . 2]" 1
108 1 66 ALA HA 1 66 ALA MB 2.400 . 3.400 2.125 2.112 2.140 . 0 0 "[ . 1 . 2]" 1
109 1 66 ALA HA 1 67 GLU QB 4.500 . 6.300 3.970 3.927 4.147 . 0 0 "[ . 1 . 2]" 1
110 1 66 ALA HA 1 67 GLU H 2.900 . 3.100 2.256 2.225 2.311 . 0 0 "[ . 1 . 2]" 1
111 1 66 ALA HA 1 78 LEU QD 2.700 . 3.800 2.534 2.235 2.859 . 0 0 "[ . 1 . 2]" 1
112 1 66 ALA H 1 66 ALA MB . . 3.000 2.775 2.724 2.809 . 0 0 "[ . 1 . 2]" 1
113 1 66 ALA H 1 78 LEU QD . . 2.700 2.545 2.339 2.873 0.173 6 0 "[ . 1 . 2]" 1
114 1 67 GLU HA 1 68 ALA H 3.700 2.200 4.200 2.157 2.152 2.161 0.048 11 0 "[ . 1 . 2]" 1
115 1 68 ALA MB 1 69 ARG HA 3.200 . 4.500 4.025 3.872 4.185 . 0 0 "[ . 1 . 2]" 1
116 1 68 ALA MB 1 69 ARG H 3.000 . 3.200 2.855 2.648 3.228 0.028 14 0 "[ . 1 . 2]" 1
117 1 69 ARG HA 1 70 GLY QA 4.300 . 6.000 3.906 3.901 3.915 . 0 0 "[ . 1 . 2]" 1
118 1 69 ARG HA 1 70 GLY H 3.200 2.200 4.500 2.233 2.205 2.300 . 0 0 "[ . 1 . 2]" 1
119 1 69 ARG QB 1 72 GLU QB 3.400 . 4.800 4.286 3.396 4.927 0.127 10 0 "[ . 1 . 2]" 1
120 1 69 ARG HA 1 71 GLY H 4.000 2.400 5.600 4.854 3.682 5.721 0.121 17 0 "[ . 1 . 2]" 1
121 1 70 GLY QA 1 71 GLY H 4.200 . 5.900 2.441 2.134 2.923 . 0 0 "[ . 1 . 2]" 1
122 1 71 GLY H 1 72 GLU QB 3.900 . 5.500 5.115 4.828 5.589 0.089 10 0 "[ . 1 . 2]" 1
123 1 72 GLU HA 1 72 GLU QG 2.700 . 3.800 2.616 2.242 3.379 . 0 0 "[ . 1 . 2]" 1
124 1 72 GLU HA 1 73 ARG H 3.300 . 4.600 2.643 2.537 2.846 . 0 0 "[ . 1 . 2]" 1
125 1 72 GLU QB 1 72 GLU QG 2.200 . 3.100 2.096 2.014 2.108 . 0 0 "[ . 1 . 2]" 1
126 1 73 ARG QD 1 171 ALA MB 2.800 . 3.900 3.609 3.266 3.820 . 0 0 "[ . 1 . 2]" 1
127 1 73 ARG QD 1 172 GLU H 4.500 . 6.300 6.687 6.413 6.900 0.600 14 3 "[ . * 1 +.- 2]" 1
128 1 73 ARG QB 1 73 ARG QD 2.000 . 2.800 2.334 2.137 2.472 . 0 0 "[ . 1 . 2]" 1
129 1 73 ARG H 1 73 ARG QD 3.800 . 5.300 4.163 3.613 4.846 . 0 0 "[ . 1 . 2]" 1
130 1 73 ARG H 1 73 ARG QG 3.500 . 4.900 2.635 1.657 3.935 . 0 0 "[ . 1 . 2]" 1
131 1 75 PRO HA 1 75 PRO QG 3.400 . 4.800 3.301 2.924 3.518 . 0 0 "[ . 1 . 2]" 1
132 1 75 PRO QB 1 76 SER H 3.500 . 4.200 2.542 2.395 2.620 . 0 0 "[ . 1 . 2]" 1
133 1 78 LEU HA 1 78 LEU QD 3.000 . 4.100 2.149 2.078 2.222 . 0 0 "[ . 1 . 2]" 1
134 1 78 LEU HA 1 79 GLY H 3.500 2.100 4.900 2.191 2.180 2.206 . 0 0 "[ . 1 . 2]" 1
135 1 78 LEU QB 1 78 LEU QD 2.100 . 2.900 1.892 1.876 1.919 . 0 0 "[ . 1 . 2]" 1
136 1 78 LEU QB 1 79 GLY QA 4.500 . 6.300 4.132 4.082 4.219 . 0 0 "[ . 1 . 2]" 1
137 1 78 LEU H 1 78 LEU QD 3.700 . 4.200 3.586 3.525 3.669 . 0 0 "[ . 1 . 2]" 1
138 1 78 LEU QD 1 79 GLY QA 3.900 . 4.200 3.620 3.237 3.752 . 0 0 "[ . 1 . 2]" 1
139 1 78 LEU QD 1 79 GLY H 2.900 . 4.100 2.618 1.864 3.098 . 0 0 "[ . 1 . 2]" 1
140 1 78 LEU HG 1 79 GLY QA 4.500 . 6.300 3.191 3.100 3.316 . 0 0 "[ . 1 . 2]" 1
141 1 79 GLY QA 1 80 LEU H 4.300 . 6.000 2.923 2.922 2.924 . 0 0 "[ . 1 . 2]" 1
142 1 83 PRO HA 1 83 PRO QB 2.400 . 3.400 2.191 2.189 2.194 . 0 0 "[ . 1 . 2]" 1
143 1 83 PRO QB 1 84 ALA H . . 3.600 3.067 2.896 3.266 . 0 0 "[ . 1 . 2]" 1
144 1 85 GLY QA 1 86 ASP H . . 3.900 2.847 2.829 2.862 . 0 0 "[ . 1 . 2]" 1
145 1 83 PRO QG 1 86 ASP HA 3.600 . 5.100 4.017 3.572 4.239 . 0 0 "[ . 1 . 2]" 1
146 1 86 ASP QB 1 87 ILE MD 3.700 . 5.200 3.415 2.594 4.228 . 0 0 "[ . 1 . 2]" 1
147 1 87 ILE MD 1 165 LEU QD 4.100 . 5.800 3.019 2.137 4.184 . 0 0 "[ . 1 . 2]" 1
148 1 87 ILE H 1 87 ILE MD 4.000 . 4.600 3.320 2.945 3.629 . 0 0 "[ . 1 . 2]" 1
149 1 87 ILE MD 1 91 ALA H 4.200 . 5.900 4.915 3.850 5.905 0.005 9 0 "[ . 1 . 2]" 1
150 1 87 ILE MD 1 95 PHE QB 4.000 . 5.600 5.450 4.845 5.828 0.228 15 0 "[ . 1 . 2]" 1
151 1 90 GLU QB 1 91 ALA H . . 4.000 3.398 3.321 3.441 . 0 0 "[ . 1 . 2]" 1
152 1 90 GLU QG 1 91 ALA H 4.400 . 5.200 1.950 1.770 2.019 . 0 0 "[ . 1 . 2]" 1
153 1 91 ALA H 1 91 ALA MB 3.100 . 3.900 2.191 2.032 2.246 . 0 0 "[ . 1 . 2]" 1
154 1 91 ALA MB 1 92 ARG H 3.500 . 4.500 2.555 2.288 2.810 . 0 0 "[ . 1 . 2]" 1
155 1 91 ALA HA 1 94 LEU QD 3.200 . 4.500 2.992 2.231 4.464 . 0 0 "[ . 1 . 2]" 1
156 1 94 LEU QD 1 95 PHE QD 4.100 . 5.700 3.933 3.493 4.414 . 0 0 "[ . 1 . 2]" 1
157 1 95 PHE QB 1 153 VAL QG 4.400 . 6.200 4.967 4.001 6.385 0.185 14 0 "[ . 1 . 2]" 1
158 1 97 LEU HA 1 97 LEU QD 2.500 . 3.500 2.299 2.120 2.622 . 0 0 "[ . 1 . 2]" 1
159 1 97 LEU H 1 97 LEU QB . . 3.500 2.329 2.255 2.524 . 0 0 "[ . 1 . 2]" 1
160 1 97 LEU QB 1 98 ALA H 4.600 . 6.400 2.590 2.332 2.925 . 0 0 "[ . 1 . 2]" 1
161 1 97 LEU QD 1 97 LEU HG 2.100 . 2.900 1.911 1.906 1.916 . 0 0 "[ . 1 . 2]" 1
162 1 97 LEU HG 1 125 VAL H 3.500 2.100 4.900 4.736 2.966 5.170 0.270 6 0 "[ . 1 . 2]" 1
163 1 97 LEU H 1 97 LEU HG 4.000 . 5.600 4.035 2.516 4.439 . 0 0 "[ . 1 . 2]" 1
164 1 95 PHE HA 1 97 LEU H 3.800 2.300 5.300 4.144 3.716 4.515 . 0 0 "[ . 1 . 2]" 1
165 1 98 ALA H 1 98 ALA MB . . 3.400 2.315 2.241 2.372 . 0 0 "[ . 1 . 2]" 1
166 1 95 PHE QB 1 99 GLN HA 2.900 . 4.100 3.842 3.021 4.426 0.326 14 0 "[ . 1 . 2]" 1
167 1 99 GLN HA 1 99 GLN QG 3.700 . 4.600 2.348 2.304 2.432 . 0 0 "[ . 1 . 2]" 1
168 1 95 PHE HA 1 99 GLN QG 2.500 . 3.500 3.928 3.706 4.424 0.924 2 5 "[ + *. -1* . * 2]" 1
169 1 100 VAL HA 1 100 VAL HB 2.700 . 3.800 2.628 2.426 3.023 . 0 0 "[ . 1 . 2]" 1
170 1 102 VAL HA 1 103 ILE MD 4.600 . 6.400 3.228 2.841 4.662 . 0 0 "[ . 1 . 2]" 1
171 1 102 VAL HA 1 151 SER H 4.300 2.600 6.000 6.349 6.167 6.579 0.579 18 1 "[ . 1 . + 2]" 1
172 1 102 VAL HB 1 152 LEU QD 4.200 . 5.900 4.215 3.555 5.069 . 0 0 "[ . 1 . 2]" 1
173 1 102 VAL H 1 102 VAL QG 3.500 . 3.800 2.542 2.073 3.092 . 0 0 "[ . 1 . 2]" 1
174 1 102 VAL QG 1 103 ILE HA 3.000 . 4.200 3.618 3.418 4.036 . 0 0 "[ . 1 . 2]" 1
175 1 102 VAL QG 1 103 ILE H 3.600 . 4.000 2.798 2.569 3.595 . 0 0 "[ . 1 . 2]" 1
176 1 102 VAL QG 1 104 VAL H 3.500 . 4.900 4.201 3.981 4.972 0.072 19 0 "[ . 1 . 2]" 1
177 1 102 VAL QG 1 152 LEU QD 2.300 . 3.200 2.599 1.963 3.189 . 0 0 "[ . 1 . 2]" 1
178 1 103 ILE HA 1 104 VAL QG 3.700 . 5.200 3.379 3.152 3.841 . 0 0 "[ . 1 . 2]" 1
179 1 103 ILE HA 1 104 VAL H 3.400 . 4.800 2.174 2.156 2.195 . 0 0 "[ . 1 . 2]" 1
180 1 103 ILE HA 1 143 LEU QD 4.300 . 6.000 5.294 4.935 6.065 0.065 15 0 "[ . 1 . 2]" 1
181 1 103 ILE HB 1 151 SER QB 4.400 . 6.200 2.874 2.356 4.130 . 0 0 "[ . 1 . 2]" 1
182 1 103 ILE H 1 103 ILE MD 3.800 . 4.600 2.368 2.021 3.365 . 0 0 "[ . 1 . 2]" 1
183 1 103 ILE MD 1 135 VAL QG 1.800 . 2.500 2.499 1.947 2.745 0.245 5 0 "[ . 1 . 2]" 1
184 1 103 ILE MD 1 143 LEU QD 2.800 . 3.900 2.314 1.821 3.105 . 0 0 "[ . 1 . 2]" 1
185 1 103 ILE MD 1 176 TYR QE 3.500 . 4.900 5.129 4.946 5.476 0.576 20 1 "[ . 1 . +]" 1
186 1 103 ILE QG 1 153 VAL QG 2.700 . 3.800 3.654 2.416 3.993 0.193 8 0 "[ . 1 . 2]" 1
187 1 103 ILE QG 1 135 VAL QG 2.600 . 3.700 2.363 2.017 2.545 . 0 0 "[ . 1 . 2]" 1
188 1 103 ILE QG 1 152 LEU HA 4.400 . 6.200 5.748 4.680 6.303 0.103 14 0 "[ . 1 . 2]" 1
189 1 103 ILE MD 1 104 VAL H 3.200 . 4.200 2.387 2.233 2.532 . 0 0 "[ . 1 . 2]" 1
190 1 103 ILE MD 1 135 VAL HB 3.800 . 5.300 4.469 3.817 5.020 . 0 0 "[ . 1 . 2]" 1
191 1 104 VAL QG 1 105 ASP H 3.800 . 4.600 2.291 1.643 3.106 . 0 0 "[ . 1 . 2]" 1
192 1 104 VAL QG 1 108 ALA MB 2.500 . 3.500 2.629 2.058 3.270 . 0 0 "[ . 1 . 2]" 1
193 1 104 VAL QG 1 106 VAL H 4.000 . 5.600 4.705 4.151 5.124 . 0 0 "[ . 1 . 2]" 1
194 1 105 ASP HA 1 108 ALA H 3.000 . 4.200 4.441 4.083 4.632 0.432 5 0 "[ . 1 . 2]" 1
195 1 105 ASP HA 1 143 LEU QD 3.600 . 5.000 5.397 5.248 5.524 0.524 16 1 "[ . 1 .+ 2]" 1
196 1 105 ASP QB 1 149 ALA MB 3.600 . 5.100 3.847 3.539 4.535 . 0 0 "[ . 1 . 2]" 1
197 1 105 ASP H 1 107 GLU QG 3.100 . 4.300 4.665 4.480 4.784 0.484 18 0 "[ . 1 . 2]" 1
198 1 105 ASP H 1 108 ALA MB 3.300 . 4.600 3.670 2.900 4.036 . 0 0 "[ . 1 . 2]" 1
199 1 106 VAL HA 1 107 GLU QG 3.700 . 5.200 4.916 4.651 5.264 0.064 18 0 "[ . 1 . 2]" 1
200 1 106 VAL QG 1 109 GLN HA 3.700 . 5.200 5.151 4.166 5.843 0.643 14 1 "[ . 1 +. 2]" 1
201 1 107 GLU HA 1 107 GLU QG 2.600 . 3.700 3.292 3.251 3.406 . 0 0 "[ . 1 . 2]" 1
202 1 107 GLU QG 1 149 ALA MB 3.300 . 4.600 4.243 3.252 4.967 0.367 1 0 "[ . 1 . 2]" 1
203 1 107 GLU QB 1 108 ALA HA 4.100 . 5.800 4.414 4.151 4.600 . 0 0 "[ . 1 . 2]" 1
204 1 107 GLU QG 1 108 ALA HA 4.200 . 5.900 3.342 2.990 3.772 . 0 0 "[ . 1 . 2]" 1
205 1 108 ALA HA 1 108 ALA MB 2.200 . 3.100 2.138 2.131 2.145 . 0 0 "[ . 1 . 2]" 1
206 1 108 ALA H 1 108 ALA HA 2.900 . 4.100 2.810 2.796 2.825 . 0 0 "[ . 1 . 2]" 1
207 1 107 GLU QB 1 108 ALA MB 3.200 . 4.500 4.645 4.540 4.727 0.227 18 0 "[ . 1 . 2]" 1
208 1 108 ALA H 1 108 ALA MB 2.400 . 3.000 2.202 2.168 2.234 . 0 0 "[ . 1 . 2]" 1
209 1 108 ALA MB 1 110 SER HA 4.000 . 5.600 4.559 4.405 4.955 . 0 0 "[ . 1 . 2]" 1
210 1 109 GLN HA 1 109 GLN QG 3.500 . 4.900 2.478 2.245 3.295 . 0 0 "[ . 1 . 2]" 1
211 1 110 SER H 1 110 SER HA 3.900 2.400 5.400 2.915 2.908 2.933 . 0 0 "[ . 1 . 2]" 1
212 1 110 SER HA 1 111 ARG H . 2.200 3.500 2.195 2.150 2.227 0.050 14 0 "[ . 1 . 2]" 1
213 1 110 SER HA 1 134 PRO HA 3.900 2.300 5.500 5.010 3.750 5.707 0.207 17 0 "[ . 1 . 2]" 1
214 1 111 ARG HA 1 112 SER QB 4.600 . 6.400 4.105 3.987 4.529 . 0 0 "[ . 1 . 2]" 1
215 1 111 ARG HA 1 112 SER H 3.600 2.200 4.700 2.156 2.140 2.184 0.060 15 0 "[ . 1 . 2]" 1
216 1 111 ARG HA 1 135 VAL QG 3.900 . 5.500 4.793 3.584 5.645 0.145 15 0 "[ . 1 . 2]" 1
217 1 113 ILE HA 1 114 SER H 4.000 2.400 4.600 2.618 2.278 2.784 0.122 14 0 "[ . 1 . 2]" 1
218 1 113 ILE MD 1 136 ASP HA 3.700 . 5.200 3.979 2.700 5.294 0.094 12 0 "[ . 1 . 2]" 1
219 1 113 ILE MD 1 137 PRO QB 4.100 . 5.700 5.454 3.480 6.125 0.425 6 0 "[ . 1 . 2]" 1
220 1 123 ALA MB 1 124 ARG QB 2.700 . 3.800 3.565 3.229 4.195 0.395 3 0 "[ . 1 . 2]" 1
221 1 124 ARG HA 1 124 ARG QD 3.600 . 5.000 3.805 2.080 4.421 . 0 0 "[ . 1 . 2]" 1
222 1 124 ARG QD 1 126 PRO QD 4.100 . 5.700 5.026 3.377 5.758 0.058 3 0 "[ . 1 . 2]" 1
223 1 124 ARG QG 1 126 PRO HA 3.400 . 4.800 4.639 4.182 4.958 0.158 6 0 "[ . 1 . 2]" 1
224 1 125 VAL HA 1 125 VAL HB 2.500 . 3.500 2.710 2.439 3.028 . 0 0 "[ . 1 . 2]" 1
225 1 125 VAL HA 1 126 PRO QD 3.100 . 4.300 1.982 1.957 2.040 . 0 0 "[ . 1 . 2]" 1
226 1 125 VAL HB 1 128 GLY QA 4.100 . 5.700 5.130 4.323 5.935 0.235 15 0 "[ . 1 . 2]" 1
227 1 125 VAL H 1 125 VAL QG 3.500 . 4.900 2.027 1.717 2.682 . 0 0 "[ . 1 . 2]" 1
228 1 125 VAL QG 1 126 PRO QD 3.600 . 4.100 2.714 1.991 3.356 . 0 0 "[ . 1 . 2]" 1
229 1 125 VAL QG 1 128 GLY QA 3.900 . 5.500 3.629 2.825 5.159 . 0 0 "[ . 1 . 2]" 1
230 1 126 PRO QB 1 128 GLY QA 4.200 . 5.900 5.480 3.901 5.970 0.070 5 0 "[ . 1 . 2]" 1
231 1 127 LEU QB 1 128 GLY QA 3.600 . 5.000 3.419 3.325 3.628 . 0 0 "[ . 1 . 2]" 1
232 1 129 GLU H 1 130 PRO QD 4.400 . 6.200 4.365 4.327 4.402 . 0 0 "[ . 1 . 2]" 1
233 1 130 PRO QB 1 131 LEU H 4.200 . 5.600 2.848 2.666 3.235 . 0 0 "[ . 1 . 2]" 1
234 1 131 LEU H 1 131 LEU QB 3.600 . 5.000 2.411 2.226 2.566 . 0 0 "[ . 1 . 2]" 1
235 1 132 GLN HA 1 133 ARG H . 2.500 4.000 2.391 2.163 2.498 0.337 5 0 "[ . 1 . 2]" 1
236 1 132 GLN QB 1 132 GLN QG 2.000 . 2.800 2.085 2.014 2.108 . 0 0 "[ . 1 . 2]" 1
237 1 132 GLN HE21 1 132 GLN QG 3.100 . 4.300 2.480 2.212 2.967 . 0 0 "[ . 1 . 2]" 1
238 1 132 GLN QG 1 133 ARG H 3.900 . 5.400 3.889 3.456 4.459 . 0 0 "[ . 1 . 2]" 1
239 1 133 ARG H 1 134 PRO QB 4.200 . 5.900 5.685 5.555 6.059 0.159 5 0 "[ . 1 . 2]" 1
240 1 134 PRO HA 1 135 VAL H 3.500 2.100 4.200 2.234 2.220 2.269 . 0 0 "[ . 1 . 2]" 1
241 1 135 VAL HA 1 136 ASP H 3.500 2.100 4.900 2.213 2.149 2.373 . 0 0 "[ . 1 . 2]" 1
242 1 135 VAL QG 1 140 VAL HA 4.100 . 5.800 3.903 2.381 5.593 . 0 0 "[ . 1 . 2]" 1
243 1 136 ASP HA 1 137 PRO QD 3.300 . 4.600 2.082 1.981 2.164 . 0 0 "[ . 1 . 2]" 1
244 1 136 ASP HA 1 137 PRO QG 3.500 . 4.900 3.986 3.804 4.065 . 0 0 "[ . 1 . 2]" 1
245 1 137 PRO HA 1 137 PRO QG 3.000 . 4.200 3.219 2.938 3.495 . 0 0 "[ . 1 . 2]" 1
246 1 137 PRO HA 1 140 VAL QG 2.900 . 4.100 2.055 1.831 2.246 . 0 0 "[ . 1 . 2]" 1
247 1 137 PRO HA 1 140 VAL H 3.800 2.300 4.900 3.104 2.854 3.713 . 0 0 "[ . 1 . 2]" 1
248 1 137 PRO HA 1 141 HIS H 4.200 2.500 4.200 4.068 3.747 4.321 0.121 20 0 "[ . 1 . 2]" 1
249 1 139 HIS HA 1 140 VAL QG 4.200 . 5.900 4.763 4.282 4.943 . 0 0 "[ . 1 . 2]" 1
250 1 139 HIS HA 1 140 VAL H 4.000 2.400 5.600 3.504 3.435 3.560 . 0 0 "[ . 1 . 2]" 1
251 1 106 VAL HA 1 139 HIS HE1 4.500 2.700 6.300 5.403 3.593 6.918 0.618 8 2 "[ . + 1 - . 2]" 1
252 1 140 VAL HA 1 140 VAL QG 2.500 . 3.500 2.134 2.054 2.421 . 0 0 "[ . 1 . 2]" 1
253 1 140 VAL HA 1 143 LEU QB 4.200 . 5.900 3.524 3.129 3.732 . 0 0 "[ . 1 . 2]" 1
254 1 140 VAL HA 1 143 LEU QD 4.200 . 5.900 3.751 3.073 4.583 . 0 0 "[ . 1 . 2]" 1
255 1 140 VAL H 1 140 VAL HB 3.800 . 4.500 2.626 2.320 3.559 . 0 0 "[ . 1 . 2]" 1
256 1 140 VAL H 1 140 VAL QG 3.500 . 3.600 2.050 1.619 2.380 . 0 0 "[ . 1 . 2]" 1
257 1 140 VAL QG 1 141 HIS H 3.400 . 3.800 2.590 1.564 3.127 . 0 0 "[ . 1 . 2]" 1
258 1 141 HIS H 1 141 HIS QB . . 3.200 2.290 2.169 2.652 . 0 0 "[ . 1 . 2]" 1
259 1 141 HIS QB 1 144 LYS QB 4.500 . 6.300 4.094 3.606 4.326 . 0 0 "[ . 1 . 2]" 1
260 1 141 HIS HD2 1 142 TYR HA 4.500 2.700 6.300 4.855 3.788 6.590 0.290 17 0 "[ . 1 . 2]" 1
261 1 142 TYR HA 1 142 TYR QE 4.800 . 6.700 4.343 4.260 4.463 . 0 0 "[ . 1 . 2]" 1
262 1 142 TYR HA 1 143 LEU H 3.900 2.300 5.500 3.568 3.551 3.576 . 0 0 "[ . 1 . 2]" 1
263 1 142 TYR QE 1 146 MET ME 2.800 . 3.900 2.319 2.089 2.687 . 0 0 "[ . 1 . 2]" 1
264 1 142 TYR H 1 146 MET ME 4.200 . 5.900 5.938 5.716 6.026 0.126 15 0 "[ . 1 . 2]" 1
265 1 143 LEU HA 1 143 LEU QD 3.200 . 3.800 2.135 1.844 2.310 . 0 0 "[ . 1 . 2]" 1
266 1 143 LEU HA 1 143 LEU HG 3.600 . 5.000 2.625 2.198 3.076 . 0 0 "[ . 1 . 2]" 1
267 1 143 LEU HA 1 146 MET ME 3.000 . 4.200 3.488 3.051 3.789 . 0 0 "[ . 1 . 2]" 1
268 1 143 LEU QB 1 144 LYS HA 2.900 . 4.100 3.783 3.700 3.846 . 0 0 "[ . 1 . 2]" 1
269 1 143 LEU QB 1 144 LYS QB 3.400 . 4.700 3.831 3.742 3.928 . 0 0 "[ . 1 . 2]" 1
270 1 143 LEU QD 1 146 MET ME 2.500 . 3.300 3.388 3.318 3.518 0.218 5 0 "[ . 1 . 2]" 1
271 1 143 LEU QD 1 151 SER QB 4.400 . 5.500 1.962 1.845 2.400 . 0 0 "[ . 1 . 2]" 1
272 1 143 LEU QD 1 167 VAL QG 3.100 . 4.300 3.969 3.561 4.422 0.122 18 0 "[ . 1 . 2]" 1
273 1 143 LEU H 1 143 LEU QD 3.600 . 4.800 2.816 2.127 3.452 . 0 0 "[ . 1 . 2]" 1
274 1 143 LEU QD 1 169 HIS HD2 4.100 . 5.700 4.347 2.928 5.735 0.035 14 0 "[ . 1 . 2]" 1
275 1 143 LEU H 1 146 MET ME 3.600 . 5.100 4.783 4.440 5.008 . 0 0 "[ . 1 . 2]" 1
276 1 144 LYS HA 1 144 LYS QB 2.200 . 3.100 2.413 2.357 2.497 . 0 0 "[ . 1 . 2]" 1
277 1 144 LYS HA 1 144 LYS QD 2.400 . 3.400 2.122 2.046 2.272 . 0 0 "[ . 1 . 2]" 1
278 1 144 LYS HA 1 144 LYS QG 3.200 . 4.500 2.681 2.323 2.925 . 0 0 "[ . 1 . 2]" 1
279 1 144 LYS H 1 144 LYS HA 3.000 . 4.200 2.791 2.779 2.799 . 0 0 "[ . 1 . 2]" 1
280 1 144 LYS QB 1 144 LYS QE 3.800 . 5.300 3.593 3.468 3.824 . 0 0 "[ . 1 . 2]" 1
281 1 144 LYS H 1 144 LYS QB 3.200 . 3.500 2.210 2.111 2.256 . 0 0 "[ . 1 . 2]" 1
282 1 144 LYS QB 1 145 SER HA 3.000 . 4.200 3.996 3.803 4.114 . 0 0 "[ . 1 . 2]" 1
283 1 144 LYS QB 1 145 SER H 3.500 . 3.500 2.551 2.495 2.588 . 0 0 "[ . 1 . 2]" 1
284 1 144 LYS QD 1 144 LYS QG 2.300 . 3.200 2.094 2.092 2.098 . 0 0 "[ . 1 . 2]" 1
285 1 144 LYS H 1 144 LYS QD 4.200 . 5.900 4.072 3.938 4.275 . 0 0 "[ . 1 . 2]" 1
286 1 144 LYS QE 1 144 LYS QG 3.100 . 4.400 2.264 2.126 2.423 . 0 0 "[ . 1 . 2]" 1
287 1 144 LYS QG 1 145 SER HA 4.000 . 5.600 4.177 3.568 5.273 . 0 0 "[ . 1 . 2]" 1
288 1 145 SER HA 1 146 MET H 4.500 2.700 5.300 3.486 3.469 3.511 . 0 0 "[ . 1 . 2]" 1
289 1 145 SER H 1 145 SER QB . . 3.600 2.335 2.237 2.563 . 0 0 "[ . 1 . 2]" 1
290 1 82 PHE QD 1 146 MET ME 3.500 . 4.900 5.151 4.904 5.399 0.499 16 0 "[ . 1 . 2]" 1
291 1 82 PHE QE 1 146 MET ME 3.100 . 4.300 3.675 3.249 3.985 . 0 0 "[ . 1 . 2]" 1
292 1 147 GLY QA 1 148 VAL H 4.300 . 4.300 2.848 2.831 2.860 . 0 0 "[ . 1 . 2]" 1
293 1 148 VAL HA 1 149 ALA H 3.900 2.400 5.400 2.150 2.147 2.158 0.253 10 0 "[ . 1 . 2]" 1
294 1 148 VAL HA 1 150 SER H 4.300 2.600 6.000 3.612 3.411 3.796 . 0 0 "[ . 1 . 2]" 1
295 1 148 VAL HA 1 170 HIS HD2 4.400 2.700 6.100 6.269 6.012 6.484 0.384 7 0 "[ . 1 . 2]" 1
296 1 148 VAL HA 1 171 ALA HA 2.300 . 3.200 3.360 3.129 3.501 0.301 9 0 "[ . 1 . 2]" 1
297 1 149 ALA HA 1 149 ALA MB 2.400 . 3.400 2.140 2.133 2.144 . 0 0 "[ . 1 . 2]" 1
298 1 149 ALA H 1 149 ALA MB 3.000 . 4.200 2.252 2.183 2.328 . 0 0 "[ . 1 . 2]" 1
299 1 149 ALA MB 1 150 SER H 3.400 . 4.800 2.782 2.575 3.088 . 0 0 "[ . 1 . 2]" 1
300 1 149 ALA MB 1 172 GLU H 4.000 . 5.600 3.395 3.025 3.842 . 0 0 "[ . 1 . 2]" 1
301 1 151 SER HA 1 152 LEU QD 4.100 . 5.800 5.173 5.066 5.249 . 0 0 "[ . 1 . 2]" 1
302 1 151 SER HA 1 152 LEU H 3.600 2.100 4.600 2.156 2.137 2.213 . 0 0 "[ . 1 . 2]" 1
303 1 152 LEU HA 1 152 LEU QD 4.100 . 4.200 2.084 2.037 2.140 . 0 0 "[ . 1 . 2]" 1
304 1 152 LEU HA 1 152 LEU HG 4.100 . 5.700 2.978 2.730 3.247 . 0 0 "[ . 1 . 2]" 1
305 1 152 LEU HA 1 153 VAL H 3.600 2.200 4.700 2.172 2.154 2.195 0.046 15 0 "[ . 1 . 2]" 1
306 1 152 LEU HA 1 167 VAL QG 4.500 . 6.300 5.167 4.863 5.397 . 0 0 "[ . 1 . 2]" 1
307 1 152 LEU QB 1 168 SER HA 4.200 . 5.900 4.951 4.691 5.165 . 0 0 "[ . 1 . 2]" 1
308 1 152 LEU H 1 152 LEU QD 4.300 . 5.500 3.835 3.786 3.898 . 0 0 "[ . 1 . 2]" 1
309 1 152 LEU QD 1 168 SER QB 3.900 . 5.300 3.267 2.688 3.684 . 0 0 "[ . 1 . 2]" 1
310 1 152 LEU QD 1 168 SER H 3.800 . 5.300 4.628 4.278 4.875 . 0 0 "[ . 1 . 2]" 1
311 1 152 LEU QD 1 176 TYR QE 4.400 . 6.200 3.722 2.344 4.654 . 0 0 "[ . 1 . 2]" 1
312 1 152 LEU QD 1 153 VAL QG 2.400 . 3.400 3.306 2.946 3.484 0.084 10 0 "[ . 1 . 2]" 1
313 1 152 LEU QD 1 153 VAL H 3.000 . 4.200 2.295 1.872 2.628 . 0 0 "[ . 1 . 2]" 1
314 1 152 LEU QD 1 166 LEU QB 4.200 . 5.900 5.881 5.560 6.034 0.134 15 0 "[ . 1 . 2]" 1
315 1 155 PRO HA 1 165 LEU QD 3.500 . 4.900 2.178 1.996 2.599 . 0 0 "[ . 1 . 2]" 1
316 1 156 LEU QB 1 191 VAL HB 4.000 . 5.600 4.284 3.644 4.899 . 0 0 "[ . 1 . 2]" 1
317 1 157 MET HA 1 157 MET ME 2.900 . 4.000 3.921 3.572 4.043 0.043 7 0 "[ . 1 . 2]" 1
318 1 157 MET HA 1 157 MET QG 3.600 . 4.500 2.991 2.143 3.282 . 0 0 "[ . 1 . 2]" 1
319 1 157 MET HA 1 162 LEU HA 3.600 2.200 5.000 2.306 2.167 2.581 0.033 11 0 "[ . 1 . 2]" 1
320 1 157 MET HA 1 163 TRP QB 3.900 . 5.500 4.221 3.871 4.720 . 0 0 "[ . 1 . 2]" 1
321 1 157 MET H 1 157 MET QB . . 3.700 2.591 2.279 2.813 . 0 0 "[ . 1 . 2]" 1
322 1 157 MET QB 1 162 LEU HA 3.900 . 5.400 3.110 2.540 4.108 . 0 0 "[ . 1 . 2]" 1
323 1 157 MET ME 1 157 MET QG 2.500 . 3.200 2.259 2.216 2.288 . 0 0 "[ . 1 . 2]" 1
324 1 157 MET H 1 157 MET ME 3.200 . 4.500 4.764 4.684 4.890 0.390 19 0 "[ . 1 . 2]" 1
325 1 157 MET ME 1 158 HIS H 3.000 . 4.200 4.237 4.088 4.343 0.143 20 0 "[ . 1 . 2]" 1
326 1 157 MET ME 1 160 GLN HA 2.300 . 3.200 3.002 2.793 3.194 . 0 0 "[ . 1 . 2]" 1
327 1 157 MET ME 1 161 GLU HA 3.200 . 4.500 4.148 3.607 4.531 0.031 11 0 "[ . 1 . 2]" 1
328 1 157 MET ME 1 161 GLU H 3.100 . 3.600 3.832 3.756 3.906 0.306 8 0 "[ . 1 . 2]" 1
329 1 157 MET ME 1 162 LEU HA 3.200 . 4.500 4.106 3.791 4.369 . 0 0 "[ . 1 . 2]" 1
330 1 158 HIS HD2 1 196 ALA HA 3.400 . 4.800 4.946 4.813 5.214 0.414 1 0 "[ . 1 . 2]" 1
331 1 158 HIS HE1 1 196 ALA HA 3.700 2.200 5.200 5.400 5.304 5.613 0.413 11 0 "[ . 1 . 2]" 1
332 1 160 GLN HE21 1 161 GLU QG 4.100 . 5.700 5.193 3.498 5.904 0.204 15 0 "[ . 1 . 2]" 1
333 1 161 GLU H 1 161 GLU QB . . 2.500 2.604 2.395 2.753 0.253 12 0 "[ . 1 . 2]" 1
334 1 161 GLU HA 1 161 GLU QG 3.100 . 4.300 2.741 2.342 3.039 . 0 0 "[ . 1 . 2]" 1
335 1 161 GLU QB 1 161 GLU QG 2.000 . 2.800 2.049 2.027 2.103 . 0 0 "[ . 1 . 2]" 1
336 1 161 GLU H 1 161 GLU QG 3.300 . 4.500 2.888 2.349 4.169 . 0 0 "[ . 1 . 2]" 1
337 1 161 GLU QG 1 162 LEU H 3.600 . 4.200 3.773 1.756 4.406 0.206 1 0 "[ . 1 . 2]" 1
338 1 161 GLU QG 1 163 TRP HZ2 2.700 . 3.800 4.061 3.969 4.196 0.396 19 0 "[ . 1 . 2]" 1
339 1 157 MET ME 1 162 LEU H 3.600 . 5.100 4.764 4.353 5.058 . 0 0 "[ . 1 . 2]" 1
340 1 161 GLU HA 1 162 LEU H 3.000 . 3.400 2.377 2.281 2.436 . 0 0 "[ . 1 . 2]" 1
341 1 161 GLU QB 1 162 LEU H . . 3.200 2.647 2.394 3.370 0.170 14 0 "[ . 1 . 2]" 1
342 1 166 LEU HA 1 166 LEU QD 3.100 . 4.300 2.112 2.062 2.231 . 0 0 "[ . 1 . 2]" 1
343 1 166 LEU QD 1 167 VAL H 3.400 . 4.700 2.444 1.798 3.041 . 0 0 "[ . 1 . 2]" 1
344 1 166 LEU QD 1 167 VAL HB 3.400 . 4.800 4.867 4.209 5.184 0.384 3 0 "[ . 1 . 2]" 1
345 1 166 LEU QD 1 168 SER QB 4.400 . 6.100 4.311 3.891 4.831 . 0 0 "[ . 1 . 2]" 1
346 1 153 VAL QG 1 167 VAL QG 2.600 . 3.400 2.401 1.886 3.311 . 0 0 "[ . 1 . 2]" 1
347 1 167 VAL QG 1 168 SER H 3.400 . 4.500 2.170 1.956 2.488 . 0 0 "[ . 1 . 2]" 1
348 1 170 HIS HA 1 171 ALA MB 3.300 . 4.600 4.209 4.099 4.263 . 0 0 "[ . 1 . 2]" 1
349 1 171 ALA H 1 171 ALA MB 2.900 . 4.100 2.222 2.205 2.243 . 0 0 "[ . 1 . 2]" 1
350 1 171 ALA MB 1 172 GLU H 3.400 . 4.800 1.881 1.773 2.216 . 0 0 "[ . 1 . 2]" 1
351 1 175 PRO HA 1 176 TYR H 2.600 . 3.600 2.472 2.208 2.555 . 0 0 "[ . 1 . 2]" 1
352 1 175 PRO QB 1 176 TYR H 3.900 . 5.200 2.520 2.302 3.162 . 0 0 "[ . 1 . 2]" 1
353 1 178 GLN HA 1 178 GLN QB 2.400 . 3.400 2.352 2.189 2.392 . 0 0 "[ . 1 . 2]" 1
354 1 183 VAL H 1 183 VAL HB 3.900 . 5.400 2.645 2.507 2.680 . 0 0 "[ . 1 . 2]" 1
355 1 183 VAL HB 1 184 VAL H 3.300 . 4.600 2.426 2.306 2.571 . 0 0 "[ . 1 . 2]" 1
356 1 183 VAL HB 1 184 VAL QG 2.600 . 3.700 3.010 2.767 3.607 . 0 0 "[ . 1 . 2]" 1
357 1 186 LEU HA 1 186 LEU QD 2.200 . 3.100 2.181 2.081 2.583 . 0 0 "[ . 1 . 2]" 1
358 1 186 LEU HA 1 187 LEU H 2.900 . 4.000 3.519 3.509 3.543 . 0 0 "[ . 1 . 2]" 1
359 1 186 LEU HA 1 189 ASP QB 3.400 . 4.800 2.578 2.370 2.792 . 0 0 "[ . 1 . 2]" 1
360 1 186 LEU QB 1 186 LEU QD 2.100 . 2.900 1.906 1.880 1.938 . 0 0 "[ . 1 . 2]" 1
361 1 189 ASP HA 1 189 ASP QB 2.600 . 3.700 2.393 2.369 2.405 . 0 0 "[ . 1 . 2]" 1
362 1 189 ASP QB 1 190 GLN HA 3.700 . 5.200 3.921 3.851 4.024 . 0 0 "[ . 1 . 2]" 1
363 1 190 GLN HA 1 193 ILE HB 3.100 . 4.300 3.342 3.050 4.454 0.154 15 0 "[ . 1 . 2]" 1
364 1 190 GLN HA 1 193 ILE H 3.300 . 4.600 3.590 3.507 3.700 . 0 0 "[ . 1 . 2]" 1
365 1 192 SER HA 1 193 ILE MD 3.600 . 5.000 4.805 4.051 5.473 0.473 4 0 "[ . 1 . 2]" 1
366 1 192 SER HA 1 194 ALA H 3.500 2.100 4.900 4.357 4.271 4.470 . 0 0 "[ . 1 . 2]" 1
367 1 192 SER HA 1 195 ILE MD 3.500 . 4.900 2.278 2.047 2.868 . 0 0 "[ . 1 . 2]" 1
368 1 192 SER HA 1 196 ALA H 4.300 2.600 6.000 4.161 3.771 4.604 . 0 0 "[ . 1 . 2]" 1
369 1 190 GLN HA 1 193 ILE MD 2.400 . 3.400 2.803 2.140 3.829 0.429 1 0 "[ . 1 . 2]" 1
370 1 193 ILE HA 1 193 ILE MD 2.700 . 3.800 2.334 1.920 3.008 . 0 0 "[ . 1 . 2]" 1
371 1 193 ILE H 1 193 ILE MD 3.300 . 4.600 2.603 1.860 3.182 . 0 0 "[ . 1 . 2]" 1
372 1 193 ILE MD 1 194 ALA H 2.700 . 3.800 3.065 1.970 3.614 . 0 0 "[ . 1 . 2]" 1
373 1 194 ALA HA 1 195 ILE HA 4.100 2.500 5.700 4.777 4.742 4.795 . 0 0 "[ . 1 . 2]" 1
374 1 194 ALA H 1 194 ALA MB 2.500 . 3.500 2.228 2.198 2.247 . 0 0 "[ . 1 . 2]" 1
375 1 195 ILE HA 1 195 ILE MD 2.900 . 4.100 2.501 2.068 3.011 . 0 0 "[ . 1 . 2]" 1
376 1 195 ILE HA 1 196 ALA H 4.400 2.600 5.200 3.510 3.445 3.543 . 0 0 "[ . 1 . 2]" 1
377 1 195 ILE HA 1 198 ALA MB 2.800 . 3.900 2.437 2.252 2.582 . 0 0 "[ . 1 . 2]" 1
378 1 195 ILE HA 1 198 ALA H 3.800 2.300 5.300 3.627 3.185 3.754 . 0 0 "[ . 1 . 2]" 1
379 1 195 ILE HA 1 195 ILE QG 3.200 . 3.900 2.770 2.260 3.347 . 0 0 "[ . 1 . 2]" 1
380 1 195 ILE QG 1 196 ALA HA 2.900 . 4.100 3.783 3.045 4.126 0.026 14 0 "[ . 1 . 2]" 1
381 1 195 ILE H 1 195 ILE QG . . 4.300 3.285 1.849 4.055 . 0 0 "[ . 1 . 2]" 1
382 1 198 ALA HA 1 198 ALA MB 2.000 . 2.800 2.138 2.112 2.143 . 0 0 "[ . 1 . 2]" 1
383 1 198 ALA HA 1 201 SER H 3.100 . 4.300 3.539 3.432 3.701 . 0 0 "[ . 1 . 2]" 1
384 1 199 GLU QG 1 200 LEU H 3.700 . 5.200 3.913 3.581 4.295 . 0 0 "[ . 1 . 2]" 1
385 1 200 LEU H 1 200 LEU QB 2.800 . 3.900 2.324 2.160 2.619 . 0 0 "[ . 1 . 2]" 1
386 1 200 LEU QB 1 201 SER H 3.600 . 5.000 2.145 1.978 2.292 . 0 0 "[ . 1 . 2]" 1
387 1 198 ALA HA 1 202 LEU QD 3.400 . 4.800 4.293 3.225 4.930 0.130 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 342
_Distance_constraint_stats_list.Viol_count 1064
_Distance_constraint_stats_list.Viol_total 3652.075
_Distance_constraint_stats_list.Viol_max 0.688
_Distance_constraint_stats_list.Viol_rms 0.0826
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0267
_Distance_constraint_stats_list.Viol_average_violations_only 0.1716
_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 31 LEU 1.888 0.248 7 0 "[ . 1 . 2]"
1 32 ASP 0.040 0.040 6 0 "[ . 1 . 2]"
1 33 GLN 1.821 0.204 3 0 "[ . 1 . 2]"
1 34 ILE 19.984 0.662 3 5 "[ +-. 1 ** * 2]"
1 35 LEU 11.716 0.510 4 1 "[ +. 1 . 2]"
1 36 ARG 12.091 0.662 3 2 "[ + . 1 - 2]"
1 37 ALA 12.054 0.492 7 0 "[ . 1 . 2]"
1 38 THR 15.404 0.606 3 4 "[ + . 1 *- * 2]"
1 39 VAL 24.337 0.551 11 5 "[ . * 1+* . -*2]"
1 40 GLU 1.647 0.204 18 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.081 0.053 19 0 "[ . 1 . 2]"
1 43 ARG 0.081 0.053 19 0 "[ . 1 . 2]"
1 44 ALA 4.032 0.204 18 0 "[ . 1 . 2]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 4.831 0.627 4 2 "[ +. 1 - . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 2.733 0.627 4 2 "[ +. 1 - . 2]"
1 50 ARG 0.090 0.081 6 0 "[ . 1 . 2]"
1 51 VAL 11.068 0.551 11 4 "[ . * 1+- . *2]"
1 52 LYS 0.032 0.024 16 0 "[ . 1 . 2]"
1 53 VAL 4.134 0.413 19 0 "[ . 1 . 2]"
1 54 TYR 5.389 0.369 2 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PRO 3.935 0.321 5 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 3.935 0.321 5 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.050 0.039 10 0 "[ . 1 . 2]"
1 63 THR 6.803 0.518 16 1 "[ . 1 .+ 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 1.158 0.103 12 0 "[ . 1 . 2]"
1 66 ALA 1.715 0.173 3 0 "[ . 1 . 2]"
1 67 GLU 8.423 0.509 8 3 "[ . + 1 * . - 2]"
1 68 ALA 0.101 0.081 6 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 3.813 0.543 20 1 "[ . 1 . +]"
1 74 LEU 3.813 0.543 20 1 "[ . 1 . +]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.103 0.089 13 0 "[ . 1 . 2]"
1 79 GLY 0.103 0.089 13 0 "[ . 1 . 2]"
1 81 THR 0.050 0.039 10 0 "[ . 1 . 2]"
1 82 PHE 6.803 0.518 16 1 "[ . 1 .+ 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 1.185 0.336 8 0 "[ . 1 . 2]"
1 96 ARG 8.145 0.688 16 6 "[ .** *1 .+ *-]"
1 97 LEU 1.718 0.336 8 0 "[ . 1 . 2]"
1 98 ALA 0.228 0.089 16 0 "[ . 1 . 2]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ARG 4.953 0.415 14 0 "[ . 1 . 2]"
1 102 VAL 5.846 0.361 14 0 "[ . 1 . 2]"
1 103 ILE 3.295 0.294 19 0 "[ . 1 . 2]"
1 104 VAL 5.581 0.445 13 0 "[ . 1 . 2]"
1 105 ASP 0.369 0.106 15 0 "[ . 1 . 2]"
1 106 VAL 2.178 0.394 14 0 "[ . 1 . 2]"
1 107 GLU 7.150 0.392 18 0 "[ . 1 . 2]"
1 108 ALA 1.640 0.137 18 0 "[ . 1 . 2]"
1 109 GLN 5.217 0.394 14 0 "[ . 1 . 2]"
1 111 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 SER 0.120 0.120 16 0 "[ . 1 . 2]"
1 113 ILE 2.368 0.344 17 0 "[ . 1 . 2]"
1 114 SER 1.496 0.306 13 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LEU 0.228 0.089 16 0 "[ . 1 . 2]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 GLN 0.429 0.107 11 0 "[ . 1 . 2]"
1 133 ARG 2.385 0.317 11 0 "[ . 1 . 2]"
1 134 PRO 0.872 0.344 17 0 "[ . 1 . 2]"
1 135 VAL 2.834 0.294 19 0 "[ . 1 . 2]"
1 136 ASP 0.120 0.120 16 0 "[ . 1 . 2]"
1 137 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 LEU 2.564 0.601 15 1 "[ . 1 + 2]"
1 144 LYS 4.152 0.375 12 0 "[ . 1 . 2]"
1 145 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 VAL 4.152 0.375 12 0 "[ . 1 . 2]"
1 149 ALA 6.661 0.601 15 1 "[ . 1 + 2]"
1 150 SER 4.498 0.245 8 0 "[ . 1 . 2]"
1 151 SER 12.440 0.445 13 0 "[ . 1 . 2]"
1 152 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 VAL 3.845 0.547 10 1 "[ . + . 2]"
1 154 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 PRO 0.914 0.313 12 0 "[ . 1 . 2]"
1 156 LEU 4.012 0.272 4 0 "[ . 1 . 2]"
1 157 MET 6.433 0.354 16 0 "[ . 1 . 2]"
1 158 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 GLN 2.389 0.507 16 2 "[ . 1 -.+ 2]"
1 161 GLU 7.453 0.507 16 2 "[ . 1 -.+ 2]"
1 162 LEU 9.029 0.688 16 6 "[ .** *1 .+ *-]"
1 163 TRP 6.127 0.354 16 0 "[ . 1 . 2]"
1 164 GLY 11.124 0.415 15 0 "[ . 1 . 2]"
1 165 LEU 5.981 0.257 6 0 "[ . 1 . 2]"
1 166 LEU 10.533 0.664 13 4 "[ . * + . * -]"
1 167 VAL 5.793 0.664 13 3 "[ . 1 + . * -]"
1 168 SER 2.668 0.257 6 0 "[ . 1 . 2]"
1 169 HIS 6.006 0.382 19 0 "[ . 1 . 2]"
1 170 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 191 VAL 0.457 0.457 1 0 "[ . 1 . 2]"
1 192 SER 0.345 0.169 9 0 "[ . 1 . 2]"
1 194 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 195 ILE 7.198 0.457 1 0 "[ . 1 . 2]"
1 196 ALA 1.888 0.248 7 0 "[ . 1 . 2]"
1 197 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 ALA 0.379 0.048 20 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 31 LEU HA 1 34 ILE H 3.200 . 4.500 3.660 2.844 3.933 . 0 0 "[ . 1 . 2]" 2
2 1 31 LEU QB 1 32 ASP H 3.500 . 4.900 2.284 2.108 2.962 . 0 0 "[ . 1 . 2]" 2
3 1 31 LEU QD 1 196 ALA H 3.400 . 4.800 4.888 4.708 5.048 0.248 7 0 "[ . 1 . 2]" 2
4 1 32 ASP HA 1 34 ILE H 3.600 2.200 5.000 4.876 4.596 5.040 0.040 6 0 "[ . 1 . 2]" 2
5 1 32 ASP HA 1 35 LEU H 3.600 2.200 5.000 3.855 3.545 4.190 . 0 0 "[ . 1 . 2]" 2
6 1 32 ASP H 1 32 ASP QB 2.500 . 3.500 2.422 2.218 2.520 . 0 0 "[ . 1 . 2]" 2
7 1 32 ASP H 1 33 GLN QB 3.500 . 4.900 4.668 4.302 4.855 . 0 0 "[ . 1 . 2]" 2
8 1 32 ASP H 1 33 GLN H 3.800 2.300 5.300 2.665 2.495 2.841 . 0 0 "[ . 1 . 2]" 2
9 1 33 GLN HA 1 34 ILE H 3.400 . 4.800 3.566 3.553 3.573 . 0 0 "[ . 1 . 2]" 2
10 1 33 GLN QG 1 34 ILE H 3.200 . 4.500 3.977 3.431 4.031 . 0 0 "[ . 1 . 2]" 2
11 1 33 GLN QG 1 36 ARG H 3.700 . 5.200 5.264 4.656 5.404 0.204 3 0 "[ . 1 . 2]" 2
12 1 33 GLN H 1 34 ILE H 3.100 . 4.300 2.596 2.496 2.722 . 0 0 "[ . 1 . 2]" 2
13 1 34 ILE HA 1 37 ALA H 3.100 . 4.300 3.675 3.504 3.821 . 0 0 "[ . 1 . 2]" 2
14 1 34 ILE H 1 34 ILE HB 2.600 . 3.600 2.332 2.072 2.651 . 0 0 "[ . 1 . 2]" 2
15 1 34 ILE H 1 34 ILE MD 2.100 . 2.900 2.196 1.684 3.131 0.231 11 0 "[ . 1 . 2]" 2
16 1 34 ILE MD 1 35 LEU H 2.300 . 3.200 2.561 1.909 3.342 0.142 15 0 "[ . 1 . 2]" 2
17 1 34 ILE MD 1 37 ALA H 2.900 . 4.100 4.019 3.694 4.250 0.150 18 0 "[ . 1 . 2]" 2
18 1 34 ILE MD 1 38 THR H 2.600 . 3.600 3.891 3.523 4.206 0.606 3 4 "[ + . 1 *- * 2]" 2
19 1 34 ILE H 1 35 LEU H 3.200 . 4.500 2.715 2.554 2.934 . 0 0 "[ . 1 . 2]" 2
20 1 35 LEU QD 1 195 ILE H 2.800 . 3.900 4.105 3.593 4.352 0.452 11 0 "[ . 1 . 2]" 2
21 1 34 ILE H 1 35 LEU HG 2.900 . 4.100 4.439 4.127 4.610 0.510 4 1 "[ +. 1 . 2]" 2
22 1 35 LEU HG 1 36 ARG H 3.200 . 4.500 4.420 4.189 4.567 0.067 7 0 "[ . 1 . 2]" 2
23 1 36 ARG HA 1 37 ALA H 2.700 . 3.800 3.523 3.500 3.541 . 0 0 "[ . 1 . 2]" 2
24 1 36 ARG QB 1 37 ALA H 1.900 . 2.700 2.682 2.553 2.797 0.097 11 0 "[ . 1 . 2]" 2
25 1 36 ARG QD 1 37 ALA H 3.400 . 4.700 4.543 3.771 5.066 0.366 10 0 "[ . 1 . 2]" 2
26 1 36 ARG QG 1 67 GLU H 3.400 . 4.800 4.059 3.321 4.851 0.051 10 0 "[ . 1 . 2]" 2
27 1 34 ILE MD 1 36 ARG H 2.700 . 3.800 4.083 3.797 4.462 0.662 3 2 "[ + . 1 - 2]" 2
28 1 35 LEU H 1 36 ARG H 3.000 . 4.200 2.499 2.384 2.702 . 0 0 "[ . 1 . 2]" 2
29 1 36 ARG H 1 36 ARG QD 3.400 . 4.800 4.344 3.714 4.766 . 0 0 "[ . 1 . 2]" 2
30 1 36 ARG H 1 38 THR MG 3.100 . 4.300 4.366 4.060 4.610 0.310 11 0 "[ . 1 . 2]" 2
31 1 37 ALA H 1 37 ALA HA 2.200 . 3.100 2.895 2.881 2.906 . 0 0 "[ . 1 . 2]" 2
32 1 37 ALA HA 1 38 THR H 2.600 . 3.700 3.485 3.460 3.518 . 0 0 "[ . 1 . 2]" 2
33 1 37 ALA HA 1 40 GLU H 3.100 . 4.300 3.554 3.385 3.739 . 0 0 "[ . 1 . 2]" 2
34 1 37 ALA H 1 37 ALA MB 1.700 . 2.400 2.269 2.252 2.284 . 0 0 "[ . 1 . 2]" 2
35 1 37 ALA MB 1 38 THR H 2.500 . 3.500 2.785 2.649 2.873 . 0 0 "[ . 1 . 2]" 2
36 1 37 ALA MB 1 40 GLU H 3.500 . 4.900 4.690 4.568 4.853 . 0 0 "[ . 1 . 2]" 2
37 1 37 ALA H 1 38 THR H 2.500 . 3.500 2.367 2.317 2.427 . 0 0 "[ . 1 . 2]" 2
38 1 38 THR HB 1 39 VAL H 2.600 . 3.700 3.634 3.520 3.733 0.033 13 0 "[ . 1 . 2]" 2
39 1 37 ALA H 1 38 THR MG 2.500 . 3.500 3.694 3.448 3.992 0.492 7 0 "[ . 1 . 2]" 2
40 1 38 THR H 1 39 VAL HB 3.300 . 4.600 4.745 4.581 4.955 0.355 12 0 "[ . 1 . 2]" 2
41 1 38 THR H 1 39 VAL QG 3.600 . 5.000 3.903 3.470 4.339 . 0 0 "[ . 1 . 2]" 2
42 1 39 VAL HA 1 40 GLU H 3.700 2.200 5.200 3.536 3.525 3.546 . 0 0 "[ . 1 . 2]" 2
43 1 39 VAL HB 1 67 GLU H 2.600 . 3.600 4.018 3.867 4.109 0.509 8 3 "[ . + 1 * . - 2]" 2
44 1 39 VAL QG 1 40 GLU H 2.600 . 3.600 2.305 1.730 3.293 . 0 0 "[ . 1 . 2]" 2
45 1 39 VAL QG 1 67 GLU H 2.800 . 3.900 2.614 2.274 3.151 . 0 0 "[ . 1 . 2]" 2
46 1 39 VAL QG 1 51 VAL H 2.500 . 3.500 3.876 3.628 4.051 0.551 11 4 "[ . * 1+- . *2]" 2
47 1 36 ARG HA 1 39 VAL H 3.100 . 4.300 3.812 3.609 3.959 . 0 0 "[ . 1 . 2]" 2
48 1 37 ALA MB 1 39 VAL H 3.200 . 4.500 4.749 4.655 4.845 0.345 12 0 "[ . 1 . 2]" 2
49 1 39 VAL H 1 39 VAL HB 2.600 . 3.600 2.396 2.286 2.592 . 0 0 "[ . 1 . 2]" 2
50 1 39 VAL H 1 39 VAL QG 2.000 . 2.500 2.283 2.018 2.457 . 0 0 "[ . 1 . 2]" 2
51 1 39 VAL H 1 40 GLU H 2.900 . 4.100 2.738 2.698 2.802 . 0 0 "[ . 1 . 2]" 2
52 1 39 VAL H 1 66 ALA MB 2.600 . 3.600 3.541 3.365 3.773 0.173 3 0 "[ . 1 . 2]" 2
53 1 40 GLU HA 1 44 ALA H 3.000 . 4.200 4.260 4.033 4.404 0.204 18 0 "[ . 1 . 2]" 2
54 1 40 GLU H 1 40 GLU QB 2.300 . 3.200 2.417 2.274 2.670 . 0 0 "[ . 1 . 2]" 2
55 1 40 GLU H 1 40 GLU QG 2.800 . 3.900 2.217 1.744 2.516 . 0 0 "[ . 1 . 2]" 2
56 1 40 GLU H 1 41 GLU H 3.400 2.100 4.700 2.511 2.408 2.648 . 0 0 "[ . 1 . 2]" 2
57 1 40 GLU H 1 68 ALA MB 3.200 . 4.500 3.596 3.285 4.209 . 0 0 "[ . 1 . 2]" 2
58 1 42 VAL HA 1 44 ALA H 3.400 2.100 4.700 4.310 4.154 4.668 . 0 0 "[ . 1 . 2]" 2
59 1 42 VAL HB 1 43 ARG H 2.700 . 3.800 2.572 2.289 3.853 0.053 19 0 "[ . 1 . 2]" 2
60 1 42 VAL QG 1 43 ARG H 3.200 . 4.500 2.934 1.824 3.223 . 0 0 "[ . 1 . 2]" 2
61 1 41 GLU H 1 42 VAL H 3.500 2.100 4.900 2.713 2.631 2.803 . 0 0 "[ . 1 . 2]" 2
62 1 43 ARG HA 1 45 PHE H 3.600 2.200 5.000 4.287 4.078 4.460 . 0 0 "[ . 1 . 2]" 2
63 1 43 ARG H 1 44 ALA H 3.200 . 4.500 2.868 2.813 2.900 . 0 0 "[ . 1 . 2]" 2
64 1 44 ALA H 1 44 ALA HA 2.100 . 2.900 2.812 2.798 2.818 . 0 0 "[ . 1 . 2]" 2
65 1 44 ALA HA 1 45 PHE H 3.200 . 4.500 3.531 3.515 3.543 . 0 0 "[ . 1 . 2]" 2
66 1 44 ALA HA 1 47 GLY H 3.700 2.200 5.200 3.643 3.564 3.721 . 0 0 "[ . 1 . 2]" 2
67 1 44 ALA MB 1 45 PHE H 2.200 . 3.100 2.576 2.509 2.669 . 0 0 "[ . 1 . 2]" 2
68 1 44 ALA H 1 45 PHE H 2.300 . 3.200 2.680 2.656 2.711 . 0 0 "[ . 1 . 2]" 2
69 1 45 PHE H 1 45 PHE QB 2.600 . 3.500 2.237 2.190 2.281 . 0 0 "[ . 1 . 2]" 2
70 1 45 PHE H 1 45 PHE QD 3.200 . 4.500 3.457 2.147 4.192 . 0 0 "[ . 1 . 2]" 2
71 1 46 LEU QB 1 47 GLY H 3.200 . 4.500 3.331 3.198 3.412 . 0 0 "[ . 1 . 2]" 2
72 1 46 LEU QB 1 48 THR H 2.700 . 3.800 2.668 2.348 3.748 . 0 0 "[ . 1 . 2]" 2
73 1 46 LEU H 1 46 LEU QD 2.100 . 3.000 2.726 1.865 3.346 0.346 5 0 "[ . 1 . 2]" 2
74 1 46 LEU QD 1 47 GLY H 3.200 . 4.500 4.145 3.795 4.418 . 0 0 "[ . 1 . 2]" 2
75 1 44 ALA MB 1 46 LEU H 3.300 . 4.600 4.719 4.674 4.767 0.167 19 0 "[ . 1 . 2]" 2
76 1 45 PHE QB 1 46 LEU H 3.100 . 4.100 2.351 2.227 2.482 . 0 0 "[ . 1 . 2]" 2
77 1 45 PHE H 1 46 LEU H 2.700 . 3.800 2.593 2.504 2.668 . 0 0 "[ . 1 . 2]" 2
78 1 46 LEU H 1 47 GLY H 3.100 . 4.300 2.502 2.427 2.549 . 0 0 "[ . 1 . 2]" 2
79 1 46 LEU H 1 48 THR H 2.900 . 4.100 4.024 3.898 4.727 0.627 4 2 "[ +. 1 - . 2]" 2
80 1 47 GLY H 1 47 GLY QA 2.100 . 2.900 2.195 2.195 2.196 . 0 0 "[ . 1 . 2]" 2
81 1 47 GLY H 1 48 THR H 2.600 . 3.700 2.904 2.765 3.249 . 0 0 "[ . 1 . 2]" 2
82 1 48 THR H 1 48 THR MG 2.500 . 3.500 3.072 1.491 3.675 0.175 1 0 "[ . 1 . 2]" 2
83 1 50 ARG HA 1 51 VAL H 3.200 . 4.500 2.139 2.131 2.180 . 0 0 "[ . 1 . 2]" 2
84 1 50 ARG QG 1 169 HIS H 4.100 . 5.700 4.311 3.775 5.567 . 0 0 "[ . 1 . 2]" 2
85 1 50 ARG QG 1 68 ALA H 3.800 . 5.300 4.321 3.627 5.381 0.081 6 0 "[ . 1 . 2]" 2
86 1 51 VAL H 1 51 VAL HA 3.000 . 4.200 2.929 2.908 2.940 . 0 0 "[ . 1 . 2]" 2
87 1 51 VAL HB 1 167 VAL H 4.500 2.700 6.300 5.918 4.893 6.484 0.184 3 0 "[ . 1 . 2]" 2
88 1 51 VAL HB 1 169 HIS H 4.200 2.500 5.900 4.766 3.418 6.103 0.203 4 0 "[ . 1 . 2]" 2
89 1 51 VAL H 1 51 VAL HB 2.800 . 3.900 3.234 2.692 3.661 . 0 0 "[ . 1 . 2]" 2
90 1 51 VAL QG 1 167 VAL H 3.200 . 4.500 3.398 2.970 4.230 . 0 0 "[ . 1 . 2]" 2
91 1 51 VAL QG 1 169 HIS H 2.700 . 3.800 3.657 2.957 4.182 0.382 19 0 "[ . 1 . 2]" 2
92 1 52 LYS HA 1 53 VAL H 3.000 . 4.200 2.328 2.260 2.398 . 0 0 "[ . 1 . 2]" 2
93 1 52 LYS HA 1 66 ALA H 3.700 2.200 5.200 4.954 4.805 5.224 0.024 16 0 "[ . 1 . 2]" 2
94 1 52 LYS HA 1 67 GLU H 3.700 2.200 5.200 4.497 4.319 4.694 . 0 0 "[ . 1 . 2]" 2
95 1 52 LYS QB 1 66 ALA H 3.000 . 4.200 3.900 3.748 4.088 . 0 0 "[ . 1 . 2]" 2
96 1 52 LYS QB 1 68 ALA H 3.300 . 4.600 3.728 3.464 4.061 . 0 0 "[ . 1 . 2]" 2
97 1 52 LYS H 1 168 SER HA 3.100 . 4.300 3.776 3.510 4.018 . 0 0 "[ . 1 . 2]" 2
98 1 52 LYS H 1 169 HIS H 4.500 2.700 6.300 5.308 5.047 5.574 . 0 0 "[ . 1 . 2]" 2
99 1 53 VAL QG 1 164 GLY H 3.800 . 5.300 5.507 5.356 5.713 0.413 19 0 "[ . 1 . 2]" 2
100 1 53 VAL QG 1 54 TYR H 3.200 . 4.500 2.329 2.225 2.419 . 0 0 "[ . 1 . 2]" 2
101 1 53 VAL H 1 66 ALA H 3.600 2.200 5.000 3.516 3.298 3.670 . 0 0 "[ . 1 . 2]" 2
102 1 54 TYR HA 1 165 LEU H 4.500 2.700 6.300 4.582 4.429 4.735 . 0 0 "[ . 1 . 2]" 2
103 1 54 TYR QB 1 165 LEU H 3.900 . 5.500 3.497 3.058 3.782 . 0 0 "[ . 1 . 2]" 2
104 1 54 TYR QD 1 164 GLY H 4.400 . 6.200 6.395 6.214 6.569 0.369 2 0 "[ . 1 . 2]" 2
105 1 54 TYR H 1 165 LEU H 4.700 2.800 6.600 2.730 2.585 2.865 0.215 3 0 "[ . 1 . 2]" 2
106 1 54 TYR H 1 167 VAL H 4.800 2.900 6.700 4.879 4.481 5.187 . 0 0 "[ . 1 . 2]" 2
107 1 57 ASP H 1 57 ASP QB 2.900 . 3.900 2.580 2.477 2.677 . 0 0 "[ . 1 . 2]" 2
108 1 58 PRO QB 1 60 GLY H 3.100 . 4.300 4.497 4.409 4.621 0.321 5 0 "[ . 1 . 2]" 2
109 1 59 GLU HA 1 60 GLY H 2.800 . 3.900 3.339 3.287 3.373 . 0 0 "[ . 1 . 2]" 2
110 1 59 GLU QG 1 60 GLY H 3.700 . 5.200 4.291 4.211 4.631 . 0 0 "[ . 1 . 2]" 2
111 1 57 ASP H 1 61 HIS HA 3.600 2.200 5.000 4.612 4.468 4.886 . 0 0 "[ . 1 . 2]" 2
112 1 61 HIS HA 1 62 GLY H 3.200 . 4.500 2.198 2.174 2.218 . 0 0 "[ . 1 . 2]" 2
113 1 61 HIS QB 1 62 GLY H 3.700 . 5.000 2.942 2.872 3.031 . 0 0 "[ . 1 . 2]" 2
114 1 62 GLY H 1 63 THR H 3.700 2.200 5.200 4.444 4.432 4.449 . 0 0 "[ . 1 . 2]" 2
115 1 62 GLY H 1 81 THR MG 3.700 . 5.200 4.595 2.598 5.239 0.039 10 0 "[ . 1 . 2]" 2
116 1 63 THR MG 1 82 PHE H 2.800 . 3.900 4.240 4.075 4.418 0.518 16 1 "[ . 1 .+ 2]" 2
117 1 64 VAL HA 1 65 VAL H 3.000 . 4.200 2.148 2.146 2.152 . 0 0 "[ . 1 . 2]" 2
118 1 64 VAL H 1 64 VAL HB 3.700 . 5.200 2.695 2.578 3.538 . 0 0 "[ . 1 . 2]" 2
119 1 64 VAL H 1 64 VAL QG 2.600 . 3.600 2.165 1.758 2.354 . 0 0 "[ . 1 . 2]" 2
120 1 64 VAL QG 1 79 GLY H 2.800 . 3.900 3.000 1.499 3.537 . 0 0 "[ . 1 . 2]" 2
121 1 65 VAL HA 1 66 ALA H 2.300 . 3.200 3.258 3.243 3.303 0.103 12 0 "[ . 1 . 2]" 2
122 1 65 VAL H 1 65 VAL HB 3.600 . 5.100 3.535 2.592 3.711 . 0 0 "[ . 1 . 2]" 2
123 1 65 VAL HB 1 66 ALA H 3.400 2.100 4.700 4.307 4.207 4.428 . 0 0 "[ . 1 . 2]" 2
124 1 65 VAL H 1 66 ALA MB 3.400 . 4.700 3.949 3.863 4.027 . 0 0 "[ . 1 . 2]" 2
125 1 65 VAL H 1 66 ALA H 3.400 2.100 4.700 2.280 2.222 2.401 . 0 0 "[ . 1 . 2]" 2
126 1 66 ALA MB 1 67 GLU H 2.200 . 3.100 2.749 2.555 2.830 . 0 0 "[ . 1 . 2]" 2
127 1 67 GLU QB 1 68 ALA H 2.700 . 3.800 3.756 3.292 3.811 0.011 20 0 "[ . 1 . 2]" 2
128 1 67 GLU H 1 68 ALA H 3.600 2.200 5.000 4.018 3.994 4.039 . 0 0 "[ . 1 . 2]" 2
129 1 67 GLU H 1 78 LEU QD 2.600 . 3.400 2.971 2.699 3.280 . 0 0 "[ . 1 . 2]" 2
130 1 68 ALA HA 1 69 ARG H 2.400 . 3.400 2.221 2.141 2.291 . 0 0 "[ . 1 . 2]" 2
131 1 68 ALA H 1 68 ALA MB 2.700 . 3.800 2.464 2.389 2.551 . 0 0 "[ . 1 . 2]" 2
132 1 69 ARG H 1 69 ARG QB 3.400 . 4.700 2.851 2.473 3.258 . 0 0 "[ . 1 . 2]" 2
133 1 69 ARG H 1 69 ARG QG 2.700 . 3.800 2.574 1.938 3.417 . 0 0 "[ . 1 . 2]" 2
134 1 73 ARG H 1 73 ARG QB 2.400 . 3.400 2.546 2.237 2.932 . 0 0 "[ . 1 . 2]" 2
135 1 73 ARG QG 1 74 LEU H 1.800 . 2.500 2.501 1.705 3.043 0.543 20 1 "[ . 1 . +]" 2
136 1 72 GLU HA 1 74 LEU H 3.300 . 4.600 3.759 3.071 4.219 . 0 0 "[ . 1 . 2]" 2
137 1 75 PRO HA 1 76 SER H 2.900 . 4.100 2.468 2.405 2.507 . 0 0 "[ . 1 . 2]" 2
138 1 76 SER H 1 76 SER QB 2.400 . 3.400 2.448 2.301 2.574 . 0 0 "[ . 1 . 2]" 2
139 1 78 LEU HG 1 79 GLY H 3.800 2.300 5.300 2.413 2.211 2.723 0.089 13 0 "[ . 1 . 2]" 2
140 1 83 PRO HA 1 84 ALA H 2.700 . 3.800 2.226 2.180 2.281 . 0 0 "[ . 1 . 2]" 2
141 1 86 ASP H 1 86 ASP QB 3.100 . 4.300 2.312 2.209 2.476 . 0 0 "[ . 1 . 2]" 2
142 1 86 ASP QB 1 87 ILE H 3.800 . 5.300 2.973 2.750 3.596 . 0 0 "[ . 1 . 2]" 2
143 1 87 ILE H 1 87 ILE HA 3.000 . 4.200 2.953 2.931 2.961 . 0 0 "[ . 1 . 2]" 2
144 1 87 ILE H 1 87 ILE HB 3.400 . 4.700 2.967 2.522 3.873 . 0 0 "[ . 1 . 2]" 2
145 1 87 ILE H 1 87 ILE QG 3.300 . 4.600 2.529 1.947 3.069 . 0 0 "[ . 1 . 2]" 2
146 1 91 ALA HA 1 92 ARG H 3.600 2.200 5.000 3.536 3.505 3.568 . 0 0 "[ . 1 . 2]" 2
147 1 91 ALA H 1 92 ARG H 3.600 2.200 5.000 2.623 2.575 2.668 . 0 0 "[ . 1 . 2]" 2
148 1 92 ARG H 1 92 ARG QB 3.100 . 4.300 2.317 2.241 2.466 . 0 0 "[ . 1 . 2]" 2
149 1 92 ARG H 1 93 ARG QG 3.200 . 4.500 3.991 3.672 4.374 . 0 0 "[ . 1 . 2]" 2
150 1 93 ARG QB 1 94 LEU H 2.900 . 4.100 2.317 2.150 2.496 . 0 0 "[ . 1 . 2]" 2
151 1 96 ARG H 1 96 ARG QD 3.600 . 4.900 4.274 3.923 4.654 . 0 0 "[ . 1 . 2]" 2
152 1 96 ARG QD 1 162 LEU H 3.500 . 4.900 5.307 5.120 5.588 0.688 16 6 "[ .** *1 .+ *-]" 2
153 1 97 LEU H 1 97 LEU HA 3.000 . 4.200 2.949 2.925 2.954 . 0 0 "[ . 1 . 2]" 2
154 1 94 LEU H 1 97 LEU QD 3.200 . 4.500 4.422 3.807 4.836 0.336 8 0 "[ . 1 . 2]" 2
155 1 97 LEU H 1 97 LEU QD 2.600 . 3.600 2.764 2.171 3.801 0.201 3 0 "[ . 1 . 2]" 2
156 1 97 LEU H 1 98 ALA H 3.200 . 4.500 2.139 1.978 2.317 . 0 0 "[ . 1 . 2]" 2
157 1 98 ALA HA 1 127 LEU H 4.000 2.400 5.600 4.032 2.327 5.689 0.089 16 0 "[ . 1 . 2]" 2
158 1 98 ALA MB 1 99 GLN H 3.500 . 4.900 2.863 2.510 3.091 . 0 0 "[ . 1 . 2]" 2
159 1 99 GLN H 1 99 GLN QB 3.500 . 4.900 3.143 3.058 3.335 . 0 0 "[ . 1 . 2]" 2
160 1 99 GLN H 1 99 GLN QG 3.300 . 4.600 2.406 2.278 2.722 . 0 0 "[ . 1 . 2]" 2
161 1 101 ARG H 1 153 VAL QG 3.100 . 4.300 4.197 3.854 4.715 0.415 14 0 "[ . 1 . 2]" 2
162 1 101 ARG H 1 102 VAL HA 3.800 2.300 5.300 5.471 5.346 5.661 0.361 14 0 "[ . 1 . 2]" 2
163 1 102 VAL HA 1 133 ARG H 4.300 2.600 6.000 5.976 5.270 6.317 0.317 11 0 "[ . 1 . 2]" 2
164 1 102 VAL H 1 103 ILE QG 3.600 . 5.000 4.800 3.942 5.120 0.120 5 0 "[ . 1 . 2]" 2
165 1 103 ILE HA 1 133 ARG H 4.400 2.600 6.200 3.735 3.310 4.128 . 0 0 "[ . 1 . 2]" 2
166 1 103 ILE H 1 103 ILE HB 3.700 . 5.200 2.402 2.349 2.493 . 0 0 "[ . 1 . 2]" 2
167 1 103 ILE H 1 103 ILE QG 3.500 . 4.900 3.588 2.768 3.846 . 0 0 "[ . 1 . 2]" 2
168 1 103 ILE QG 1 135 VAL H 4.300 . 5.000 5.096 4.714 5.294 0.294 19 0 "[ . 1 . 2]" 2
169 1 103 ILE MD 1 151 SER H 4.000 . 5.600 3.322 2.732 3.738 . 0 0 "[ . 1 . 2]" 2
170 1 104 VAL H 1 104 VAL HB 3.700 . 5.200 3.031 2.492 3.625 . 0 0 "[ . 1 . 2]" 2
171 1 104 VAL QG 1 133 ARG H 3.400 . 4.800 3.370 2.658 4.473 . 0 0 "[ . 1 . 2]" 2
172 1 104 VAL H 1 151 SER H 4.200 2.500 5.900 6.179 5.948 6.345 0.445 13 0 "[ . 1 . 2]" 2
173 1 105 ASP HA 1 150 SER H 4.100 2.500 5.700 5.521 5.102 5.806 0.106 15 0 "[ . 1 . 2]" 2
174 1 105 ASP HA 1 151 SER H 4.100 2.500 5.700 5.192 4.804 5.793 0.093 11 0 "[ . 1 . 2]" 2
175 1 105 ASP H 1 105 ASP QB 3.600 . 5.000 2.593 2.207 2.855 . 0 0 "[ . 1 . 2]" 2
176 1 106 VAL QG 1 107 GLU H 2.100 . 2.900 2.586 2.470 2.678 . 0 0 "[ . 1 . 2]" 2
177 1 106 VAL H 1 107 GLU H 3.100 . 4.300 2.718 2.626 2.772 . 0 0 "[ . 1 . 2]" 2
178 1 107 GLU QB 1 108 ALA H 2.400 . 3.400 3.472 3.386 3.537 0.137 18 0 "[ . 1 . 2]" 2
179 1 107 GLU H 1 149 ALA MB 2.900 . 4.100 4.242 4.105 4.492 0.392 18 0 "[ . 1 . 2]" 2
180 1 108 ALA HA 1 109 GLN H 3.500 2.100 4.900 3.285 3.029 3.403 . 0 0 "[ . 1 . 2]" 2
181 1 107 GLU H 1 108 ALA MB 3.000 . 4.200 4.026 3.799 4.128 . 0 0 "[ . 1 . 2]" 2
182 1 108 ALA MB 1 109 GLN H 2.900 . 4.100 3.206 3.013 3.554 . 0 0 "[ . 1 . 2]" 2
183 1 108 ALA H 1 109 GLN HA 3.700 2.200 5.200 5.014 4.888 5.255 0.055 12 0 "[ . 1 . 2]" 2
184 1 106 VAL QG 1 109 GLN H 3.200 . 4.500 4.552 4.022 4.894 0.394 14 0 "[ . 1 . 2]" 2
185 1 107 GLU QB 1 109 GLN H 3.300 . 4.600 4.395 4.013 4.646 0.046 7 0 "[ . 1 . 2]" 2
186 1 107 GLU QG 1 109 GLN H 2.900 . 4.000 4.139 3.991 4.292 0.292 15 0 "[ . 1 . 2]" 2
187 1 109 GLN H 1 109 GLN HA 2.800 . 3.900 2.303 2.299 2.317 . 0 0 "[ . 1 . 2]" 2
188 1 111 ARG H 1 112 SER HA 4.300 2.600 6.000 4.915 4.506 5.070 . 0 0 "[ . 1 . 2]" 2
189 1 111 ARG H 1 112 SER H 3.400 2.100 4.700 4.253 3.838 4.424 . 0 0 "[ . 1 . 2]" 2
190 1 111 ARG H 1 134 PRO QB 4.500 . 4.800 3.269 2.723 3.714 . 0 0 "[ . 1 . 2]" 2
191 1 112 SER HA 1 113 ILE H 3.000 . 4.200 2.219 2.149 2.488 . 0 0 "[ . 1 . 2]" 2
192 1 112 SER QB 1 113 ILE H 3.900 . 5.500 3.516 2.571 3.899 . 0 0 "[ . 1 . 2]" 2
193 1 112 SER QB 1 136 ASP H 3.600 . 5.000 3.125 2.111 5.120 0.120 16 0 "[ . 1 . 2]" 2
194 1 112 SER H 1 113 ILE MD 3.900 . 5.400 3.895 2.527 4.995 . 0 0 "[ . 1 . 2]" 2
195 1 112 SER H 1 113 ILE H 4.000 2.400 5.600 4.234 4.051 4.538 . 0 0 "[ . 1 . 2]" 2
196 1 112 SER H 1 134 PRO QB 3.700 . 5.200 3.927 3.018 4.381 . 0 0 "[ . 1 . 2]" 2
197 1 112 SER H 1 140 VAL QG 4.400 . 6.200 4.861 4.026 5.846 . 0 0 "[ . 1 . 2]" 2
198 1 113 ILE HB 1 114 SER H 3.600 2.100 5.100 2.560 1.794 3.957 0.306 13 0 "[ . 1 . 2]" 2
199 1 113 ILE H 1 113 ILE MD 3.900 . 4.500 2.671 1.484 3.651 . 0 0 "[ . 1 . 2]" 2
200 1 113 ILE H 1 113 ILE QG 3.900 . 5.400 2.658 1.926 4.266 . 0 0 "[ . 1 . 2]" 2
201 1 113 ILE MD 1 114 SER H 3.300 . 4.600 2.640 1.555 3.476 . 0 0 "[ . 1 . 2]" 2
202 1 113 ILE H 1 114 SER H 4.800 2.900 6.700 4.352 4.299 4.424 . 0 0 "[ . 1 . 2]" 2
203 1 113 ILE H 1 134 PRO QB 4.200 . 5.900 5.573 4.623 6.244 0.344 17 0 "[ . 1 . 2]" 2
204 1 123 ALA H 1 123 ALA MB 1.800 . 2.500 2.224 2.190 2.267 . 0 0 "[ . 1 . 2]" 2
205 1 124 ARG HA 1 125 VAL H 3.000 . 4.200 2.400 2.244 2.737 . 0 0 "[ . 1 . 2]" 2
206 1 126 PRO HA 1 127 LEU H 2.500 . 3.500 2.208 2.170 2.445 . 0 0 "[ . 1 . 2]" 2
207 1 130 PRO HA 1 131 LEU H 3.700 2.200 5.200 2.333 2.202 2.420 . 0 0 "[ . 1 . 2]" 2
208 1 132 GLN HE22 1 133 ARG H 4.600 2.800 6.400 5.974 4.076 6.507 0.107 11 0 "[ . 1 . 2]" 2
209 1 134 PRO QB 1 135 VAL H 4.000 . 5.600 3.066 2.976 3.117 . 0 0 "[ . 1 . 2]" 2
210 1 135 VAL H 1 135 VAL HB 3.400 . 4.700 3.454 2.772 3.809 . 0 0 "[ . 1 . 2]" 2
211 1 135 VAL QG 1 140 VAL H 3.600 . 5.000 3.641 2.844 4.491 . 0 0 "[ . 1 . 2]" 2
212 1 135 VAL H 1 135 VAL QG 2.900 . 4.100 2.038 1.778 2.616 . 0 0 "[ . 1 . 2]" 2
213 1 136 ASP H 1 136 ASP QB 3.200 . 4.500 2.651 2.250 2.995 . 0 0 "[ . 1 . 2]" 2
214 1 136 ASP H 1 137 PRO QD 4.000 . 5.600 4.346 4.295 4.422 . 0 0 "[ . 1 . 2]" 2
215 1 137 PRO QB 1 140 VAL H 4.500 . 6.300 4.616 4.389 5.189 . 0 0 "[ . 1 . 2]" 2
216 1 139 HIS HA 1 142 TYR H 3.600 2.200 5.000 3.294 3.001 3.693 . 0 0 "[ . 1 . 2]" 2
217 1 140 VAL HA 1 144 LYS H 4.100 2.500 5.700 4.215 3.862 4.623 . 0 0 "[ . 1 . 2]" 2
218 1 140 VAL HB 1 141 HIS H 3.000 . 4.200 2.504 2.072 3.817 . 0 0 "[ . 1 . 2]" 2
219 1 140 VAL H 1 141 HIS H 3.400 2.100 4.700 2.982 2.799 3.114 . 0 0 "[ . 1 . 2]" 2
220 1 140 VAL H 1 142 TYR H 4.300 2.600 6.000 4.078 3.991 4.155 . 0 0 "[ . 1 . 2]" 2
221 1 141 HIS QB 1 142 TYR H 2.500 . 3.500 2.548 2.379 2.658 . 0 0 "[ . 1 . 2]" 2
222 1 141 HIS H 1 142 TYR H 3.700 2.200 5.200 2.648 2.589 2.698 . 0 0 "[ . 1 . 2]" 2
223 1 141 HIS H 1 144 LYS QB 3.400 . 4.800 4.509 4.353 4.684 . 0 0 "[ . 1 . 2]" 2
224 1 142 TYR H 1 142 TYR HA 3.000 . 4.200 2.747 2.729 2.770 . 0 0 "[ . 1 . 2]" 2
225 1 142 TYR H 1 142 TYR QD 4.600 . 6.400 4.025 3.876 4.173 . 0 0 "[ . 1 . 2]" 2
226 1 142 TYR H 1 143 LEU H 4.100 2.500 5.700 2.974 2.894 3.034 . 0 0 "[ . 1 . 2]" 2
227 1 143 LEU HA 1 144 LYS H 4.100 2.500 5.700 3.565 3.560 3.570 . 0 0 "[ . 1 . 2]" 2
228 1 143 LEU H 1 143 LEU QB 3.400 . 4.300 2.258 2.063 2.454 . 0 0 "[ . 1 . 2]" 2
229 1 143 LEU QB 1 144 LYS H 2.900 . 3.900 2.418 2.322 2.573 . 0 0 "[ . 1 . 2]" 2
230 1 143 LEU QB 1 145 SER H 3.800 . 5.300 4.572 4.520 4.638 . 0 0 "[ . 1 . 2]" 2
231 1 143 LEU QB 1 149 ALA H 3.900 . 5.500 5.567 5.136 6.101 0.601 15 1 "[ . 1 + 2]" 2
232 1 143 LEU QD 1 144 LYS H 4.200 . 5.900 3.921 3.758 4.005 . 0 0 "[ . 1 . 2]" 2
233 1 143 LEU H 1 143 LEU HG 3.500 . 4.900 3.189 2.097 4.419 . 0 0 "[ . 1 . 2]" 2
234 1 143 LEU H 1 144 LYS H 3.500 2.100 4.900 2.682 2.600 2.796 . 0 0 "[ . 1 . 2]" 2
235 1 143 LEU H 1 145 SER H 4.400 2.600 6.200 4.043 3.974 4.077 . 0 0 "[ . 1 . 2]" 2
236 1 144 LYS QB 1 147 GLY H 4.100 . 5.700 4.540 4.431 4.652 . 0 0 "[ . 1 . 2]" 2
237 1 144 LYS QD 1 145 SER H 3.500 . 4.900 4.367 3.714 4.711 . 0 0 "[ . 1 . 2]" 2
238 1 144 LYS QD 1 147 GLY H 3.700 . 5.200 3.611 3.075 3.985 . 0 0 "[ . 1 . 2]" 2
239 1 144 LYS QD 1 148 VAL H 2.800 . 3.900 4.104 3.832 4.275 0.375 12 0 "[ . 1 . 2]" 2
240 1 144 LYS H 1 144 LYS QG 3.800 . 5.300 3.962 3.749 4.054 . 0 0 "[ . 1 . 2]" 2
241 1 144 LYS QG 1 145 SER H 3.900 . 5.500 3.896 3.575 4.475 . 0 0 "[ . 1 . 2]" 2
242 1 144 LYS H 1 145 SER H 3.100 . 4.300 2.758 2.727 2.794 . 0 0 "[ . 1 . 2]" 2
243 1 145 SER QB 1 146 MET H 4.100 . 5.700 2.910 2.781 3.574 . 0 0 "[ . 1 . 2]" 2
244 1 146 MET HA 1 147 GLY H 3.500 2.100 4.900 3.279 3.246 3.315 . 0 0 "[ . 1 . 2]" 2
245 1 146 MET H 1 146 MET QG 3.100 . 4.300 2.356 2.216 2.639 . 0 0 "[ . 1 . 2]" 2
246 1 146 MET QG 1 147 GLY H 3.600 . 5.000 4.206 4.095 4.359 . 0 0 "[ . 1 . 2]" 2
247 1 146 MET H 1 147 GLY QA 4.100 . 5.700 4.285 4.229 4.338 . 0 0 "[ . 1 . 2]" 2
248 1 146 MET H 1 147 GLY H 3.100 . 4.300 2.377 2.306 2.449 . 0 0 "[ . 1 . 2]" 2
249 1 146 MET H 1 148 VAL H 4.200 2.500 5.900 3.444 3.333 3.520 . 0 0 "[ . 1 . 2]" 2
250 1 147 GLY H 1 148 VAL QG 4.300 . 5.700 3.754 3.314 4.182 . 0 0 "[ . 1 . 2]" 2
251 1 147 GLY H 1 148 VAL H 2.700 . 3.800 2.519 2.436 2.574 . 0 0 "[ . 1 . 2]" 2
252 1 148 VAL H 1 148 VAL QG 3.600 . 3.900 2.172 1.762 2.660 . 0 0 "[ . 1 . 2]" 2
253 1 148 VAL QG 1 150 SER H . . 4.300 2.476 1.954 3.767 . 0 0 "[ . 1 . 2]" 2
254 1 148 VAL QG 1 149 ALA H 3.400 . 4.800 2.909 2.584 3.648 . 0 0 "[ . 1 . 2]" 2
255 1 148 VAL H 1 149 ALA H 3.900 2.300 5.500 4.334 4.249 4.388 . 0 0 "[ . 1 . 2]" 2
256 1 149 ALA HA 1 150 SER H 4.100 2.500 5.700 3.474 3.372 3.525 . 0 0 "[ . 1 . 2]" 2
257 1 149 ALA H 1 150 SER H 3.900 2.300 5.500 2.303 2.152 2.462 0.148 13 0 "[ . 1 . 2]" 2
258 1 149 ALA H 1 171 ALA MB 4.400 . 6.100 4.382 3.919 4.640 . 0 0 "[ . 1 . 2]" 2
259 1 150 SER H 1 170 HIS HA 4.500 2.700 6.300 5.588 5.053 5.753 . 0 0 "[ . 1 . 2]" 2
260 1 150 SER H 1 171 ALA MB 4.500 . 6.300 5.068 4.670 5.332 . 0 0 "[ . 1 . 2]" 2
261 1 151 SER HA 1 169 HIS H 4.300 2.600 6.000 5.342 5.159 5.597 . 0 0 "[ . 1 . 2]" 2
262 1 151 SER HA 1 170 HIS H 4.300 2.600 6.000 3.897 3.047 4.322 . 0 0 "[ . 1 . 2]" 2
263 1 149 ALA H 1 151 SER QB 4.700 . 6.600 6.411 6.021 6.914 0.314 17 0 "[ . 1 . 2]" 2
264 1 151 SER H 1 151 SER QB 3.600 . 5.000 2.862 2.411 3.264 . 0 0 "[ . 1 . 2]" 2
265 1 151 SER QB 1 152 LEU H 4.500 . 5.700 3.617 3.210 3.963 . 0 0 "[ . 1 . 2]" 2
266 1 151 SER QB 1 169 HIS H 4.400 . 6.200 6.237 5.098 6.511 0.311 9 0 "[ . 1 . 2]" 2
267 1 150 SER H 1 151 SER H 3.100 . 4.300 4.440 4.015 4.545 0.245 8 0 "[ . 1 . 2]" 2
268 1 152 LEU QB 1 153 VAL H 4.100 . 5.700 3.756 3.646 3.897 . 0 0 "[ . 1 . 2]" 2
269 1 152 LEU QB 1 168 SER H 4.600 . 6.500 3.733 3.359 4.133 . 0 0 "[ . 1 . 2]" 2
270 1 153 VAL HB 1 154 VAL H 3.000 . 4.200 3.449 2.631 4.030 . 0 0 "[ . 1 . 2]" 2
271 1 153 VAL QG 1 154 VAL H 2.600 . 3.600 2.224 1.711 3.044 . 0 0 "[ . 1 . 2]" 2
272 1 154 VAL H 1 166 LEU HA 3.800 2.300 5.300 4.807 4.477 5.165 . 0 0 "[ . 1 . 2]" 2
273 1 155 PRO HA 1 166 LEU H 4.100 2.400 5.800 2.574 2.087 3.666 0.313 12 0 "[ . 1 . 2]" 2
274 1 155 PRO QB 1 156 LEU H 2.400 . 3.400 2.961 2.813 3.369 . 0 0 "[ . 1 . 2]" 2
275 1 155 PRO QG 1 156 LEU H 3.400 . 4.800 4.497 4.372 4.661 . 0 0 "[ . 1 . 2]" 2
276 1 156 LEU HA 1 157 MET H 3.200 . 4.500 2.225 2.200 2.242 . 0 0 "[ . 1 . 2]" 2
277 1 156 LEU H 1 156 LEU QB 2.900 . 4.100 2.634 2.487 2.671 . 0 0 "[ . 1 . 2]" 2
278 1 156 LEU QB 1 157 MET H 3.600 . 5.000 3.678 3.624 3.716 . 0 0 "[ . 1 . 2]" 2
279 1 156 LEU H 1 156 LEU QD 2.200 . 3.100 3.173 2.934 3.258 0.158 9 0 "[ . 1 . 2]" 2
280 1 156 LEU QD 1 157 MET H 2.700 . 3.800 3.862 3.766 3.953 0.153 11 0 "[ . 1 . 2]" 2
281 1 156 LEU QD 1 164 GLY H 3.600 . 5.000 4.203 3.850 4.548 . 0 0 "[ . 1 . 2]" 2
282 1 156 LEU H 1 157 MET H 4.400 2.600 6.200 4.003 3.938 4.075 . 0 0 "[ . 1 . 2]" 2
283 1 156 LEU H 1 163 TRP QB 4.300 . 6.000 5.975 5.413 6.272 0.272 4 0 "[ . 1 . 2]" 2
284 1 156 LEU H 1 164 GLY QA 3.600 . 5.000 4.385 4.080 4.829 . 0 0 "[ . 1 . 2]" 2
285 1 157 MET HA 1 158 HIS H 2.800 . 3.900 2.170 2.144 2.189 . 0 0 "[ . 1 . 2]" 2
286 1 157 MET HA 1 161 GLU H 4.000 2.400 5.600 5.352 5.137 5.517 . 0 0 "[ . 1 . 2]" 2
287 1 157 MET HA 1 163 TRP H 4.700 2.800 6.600 2.720 2.446 3.123 0.354 16 0 "[ . 1 . 2]" 2
288 1 157 MET QB 1 158 HIS H 3.000 . 4.000 3.174 3.043 3.374 . 0 0 "[ . 1 . 2]" 2
289 1 157 MET QB 1 164 GLY H 4.700 . 6.600 5.417 4.917 6.187 . 0 0 "[ . 1 . 2]" 2
290 1 157 MET H 1 157 MET QG 3.300 . 4.200 2.495 2.168 3.250 . 0 0 "[ . 1 . 2]" 2
291 1 157 MET QG 1 158 HIS H 3.000 . 4.200 3.638 3.540 3.760 . 0 0 "[ . 1 . 2]" 2
292 1 157 MET QG 1 161 GLU H 3.500 . 4.900 5.022 4.955 5.158 0.258 18 0 "[ . 1 . 2]" 2
293 1 157 MET H 1 158 HIS H 4.000 2.400 5.600 4.435 4.382 4.476 . 0 0 "[ . 1 . 2]" 2
294 1 157 MET H 1 162 LEU HA 4.400 2.600 6.200 5.034 4.918 5.331 . 0 0 "[ . 1 . 2]" 2
295 1 157 MET H 1 163 TRP QB 4.700 . 6.600 5.929 5.699 6.187 . 0 0 "[ . 1 . 2]" 2
296 1 157 MET H 1 192 SER H 4.500 2.700 6.300 6.089 5.664 6.469 0.169 9 0 "[ . 1 . 2]" 2
297 1 158 HIS H 1 161 GLU H 3.300 . 4.600 3.995 3.605 4.237 . 0 0 "[ . 1 . 2]" 2
298 1 158 HIS H 1 162 LEU HA 3.600 2.200 5.000 3.239 2.944 3.584 . 0 0 "[ . 1 . 2]" 2
299 1 158 HIS H 1 163 TRP H 4.000 2.400 5.600 3.331 3.085 3.632 . 0 0 "[ . 1 . 2]" 2
300 1 158 HIS H 1 195 ILE MD 4.300 . 6.000 4.656 3.880 5.213 . 0 0 "[ . 1 . 2]" 2
301 1 160 GLN QB 1 161 GLU H 2.400 . 3.400 3.519 3.402 3.907 0.507 16 2 "[ . 1 -.+ 2]" 2
302 1 161 GLU QG 1 163 TRP H 4.700 . 6.600 6.337 4.139 6.869 0.269 20 0 "[ . 1 . 2]" 2
303 1 161 GLU H 1 162 LEU H 3.700 2.200 5.200 4.503 4.487 4.524 . 0 0 "[ . 1 . 2]" 2
304 1 162 LEU H 1 164 GLY H 4.400 2.600 6.200 6.234 6.122 6.303 0.103 4 0 "[ . 1 . 2]" 2
305 1 163 TRP HA 1 164 GLY H 3.500 2.100 4.900 3.544 3.526 3.554 . 0 0 "[ . 1 . 2]" 2
306 1 163 TRP QB 1 164 GLY H 3.500 . 4.900 2.598 2.526 2.688 . 0 0 "[ . 1 . 2]" 2
307 1 163 TRP H 1 164 GLY H 3.500 2.100 4.900 2.157 2.120 2.202 . 0 0 "[ . 1 . 2]" 2
308 1 165 LEU HA 1 166 LEU H 3.600 2.200 5.000 2.173 2.154 2.236 0.046 19 0 "[ . 1 . 2]" 2
309 1 165 LEU H 1 165 LEU QB 3.600 . 5.100 2.712 2.637 2.756 . 0 0 "[ . 1 . 2]" 2
310 1 165 LEU H 1 165 LEU QD 4.200 . 5.900 4.004 3.949 4.025 . 0 0 "[ . 1 . 2]" 2
311 1 165 LEU QD 1 166 LEU H 3.700 . 5.200 2.952 1.796 3.355 . 0 0 "[ . 1 . 2]" 2
312 1 165 LEU QD 1 168 SER H 4.300 . 6.000 6.091 5.590 6.257 0.257 6 0 "[ . 1 . 2]" 2
313 1 165 LEU H 1 166 LEU QB 3.600 . 5.000 5.056 4.912 5.159 0.159 11 0 "[ . 1 . 2]" 2
314 1 166 LEU HA 1 167 VAL H 3.900 2.300 5.500 2.226 2.187 2.286 0.113 17 0 "[ . 1 . 2]" 2
315 1 166 LEU HG 1 167 VAL H 3.400 . 4.800 2.279 1.967 2.674 0.033 12 0 "[ . 1 . 2]" 2
316 1 153 VAL QG 1 166 LEU H 3.000 . 4.200 4.163 3.251 4.747 0.547 10 1 "[ . + . 2]" 2
317 1 156 LEU QD 1 166 LEU H 3.000 . 4.200 3.279 2.641 4.095 . 0 0 "[ . 1 . 2]" 2
318 1 166 LEU H 1 166 LEU QD 4.400 . 6.200 3.796 3.758 3.840 . 0 0 "[ . 1 . 2]" 2
319 1 166 LEU H 1 166 LEU HG 3.500 2.100 4.900 4.449 4.344 4.529 . 0 0 "[ . 1 . 2]" 2
320 1 166 LEU H 1 167 VAL HB 3.900 2.400 5.400 5.455 5.102 6.064 0.664 13 3 "[ . 1 + . * -]" 2
321 1 167 VAL H 1 167 VAL HB 3.800 . 5.300 3.102 2.688 3.412 . 0 0 "[ . 1 . 2]" 2
322 1 167 VAL QG 1 169 HIS H 3.700 . 5.200 4.206 4.074 4.582 . 0 0 "[ . 1 . 2]" 2
323 1 168 SER HA 1 169 HIS H 2.800 . 3.900 2.231 2.189 2.254 . 0 0 "[ . 1 . 2]" 2
324 1 153 VAL QG 1 168 SER H 3.800 . 5.300 3.904 2.840 4.597 . 0 0 "[ . 1 . 2]" 2
325 1 166 LEU QB 1 168 SER H 4.400 . 6.200 5.866 5.649 6.124 . 0 0 "[ . 1 . 2]" 2
326 1 169 HIS H 1 169 HIS QB 3.600 . 5.000 2.744 2.465 3.240 . 0 0 "[ . 1 . 2]" 2
327 1 150 SER H 1 170 HIS H 4.300 2.600 6.000 3.920 3.213 4.320 . 0 0 "[ . 1 . 2]" 2
328 1 169 HIS QB 1 170 HIS H 3.800 . 5.300 3.049 2.886 3.199 . 0 0 "[ . 1 . 2]" 2
329 1 170 HIS H 1 171 ALA HA 4.300 2.600 6.000 4.913 4.792 5.005 . 0 0 "[ . 1 . 2]" 2
330 1 170 HIS H 1 171 ALA MB 4.400 . 6.200 5.495 5.462 5.503 . 0 0 "[ . 1 . 2]" 2
331 1 191 VAL QG 1 195 ILE H 2.800 . 3.900 3.215 2.943 4.357 0.457 1 0 "[ . 1 . 2]" 2
332 1 194 ALA MB 1 195 ILE H 2.200 . 3.100 2.379 2.319 2.417 . 0 0 "[ . 1 . 2]" 2
333 1 194 ALA H 1 195 ILE H 3.800 2.300 5.300 2.611 2.577 2.668 . 0 0 "[ . 1 . 2]" 2
334 1 195 ILE H 1 195 ILE MD 2.500 . 3.500 2.065 1.871 2.228 . 0 0 "[ . 1 . 2]" 2
335 1 195 ILE MD 1 196 ALA H 3.000 . 3.800 2.293 1.837 3.580 . 0 0 "[ . 1 . 2]" 2
336 1 164 GLY H 1 195 ILE QG 3.500 . 4.900 4.955 4.410 5.315 0.415 15 0 "[ . 1 . 2]" 2
337 1 195 ILE QG 1 196 ALA H 3.500 . 4.900 3.166 1.864 3.903 . 0 0 "[ . 1 . 2]" 2
338 1 195 ILE H 1 196 ALA H 2.800 . 3.900 2.578 2.476 2.644 . 0 0 "[ . 1 . 2]" 2
339 1 196 ALA H 1 196 ALA HA 2.600 . 3.600 2.869 2.796 2.880 . 0 0 "[ . 1 . 2]" 2
340 1 196 ALA H 1 196 ALA MB 1.700 . 2.400 2.225 2.139 2.251 . 0 0 "[ . 1 . 2]" 2
341 1 196 ALA H 1 197 GLN H 2.500 . 3.500 2.652 2.620 2.724 . 0 0 "[ . 1 . 2]" 2
342 1 198 ALA H 1 198 ALA MB 1.600 . 2.200 2.214 2.130 2.248 0.048 20 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 156
_Distance_constraint_stats_list.Viol_count 809
_Distance_constraint_stats_list.Viol_total 2637.412
_Distance_constraint_stats_list.Viol_max 0.623
_Distance_constraint_stats_list.Viol_rms 0.0963
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0423
_Distance_constraint_stats_list.Viol_average_violations_only 0.1630
_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 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 1.459 0.143 15 0 "[ . 1 . 2]"
1 33 GLN 3.170 0.349 1 0 "[ . 1 . 2]"
1 34 ILE 0.924 0.170 17 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 7.733 0.430 7 0 "[ . 1 . 2]"
1 37 ALA 3.197 0.349 1 0 "[ . 1 . 2]"
1 38 THR 0.924 0.170 17 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 6.274 0.430 7 0 "[ . 1 . 2]"
1 41 GLU 0.556 0.092 1 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.256 0.046 3 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.529 0.092 1 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.256 0.046 3 0 "[ . 1 . 2]"
1 49 ASP 1.119 0.258 10 0 "[ . 1 . 2]"
1 50 ARG 1.754 0.246 1 0 "[ . 1 . 2]"
1 51 VAL 0.028 0.028 1 0 "[ . 1 . 2]"
1 52 LYS 0.709 0.208 3 0 "[ . 1 . 2]"
1 53 VAL 12.983 0.508 10 3 "[ . + .* -]"
1 54 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 3.568 0.335 4 0 "[ . 1 . 2]"
1 56 PHE 4.340 0.283 4 0 "[ . 1 . 2]"
1 57 ASP 0.032 0.032 11 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.032 0.032 11 0 "[ . 1 . 2]"
1 62 GLY 2.360 0.253 9 0 "[ . 1 . 2]"
1 63 THR 3.568 0.335 4 0 "[ . 1 . 2]"
1 64 VAL 12.131 0.474 6 0 "[ . 1 . 2]"
1 65 VAL 11.399 0.508 10 3 "[ . + .* -]"
1 66 ALA 1.584 0.195 15 0 "[ . 1 . 2]"
1 68 ALA 0.028 0.028 1 0 "[ . 1 . 2]"
1 70 GLY 1.119 0.258 10 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 5.212 0.474 6 0 "[ . 1 . 2]"
1 80 LEU 6.919 0.438 17 0 "[ . 1 . 2]"
1 82 PHE 2.360 0.253 9 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLU 11.182 0.582 18 5 "[ * .* *1 .- + 2]"
1 91 ALA 9.558 0.452 14 0 "[ . 1 . 2]"
1 92 ARG 1.265 0.497 14 0 "[ . 1 . 2]"
1 93 ARG 0.155 0.124 2 0 "[ . 1 . 2]"
1 94 LEU 13.060 0.582 18 5 "[ * .* *1 .- + 2]"
1 95 PHE 9.558 0.452 14 0 "[ . 1 . 2]"
1 96 ARG 1.265 0.497 14 0 "[ . 1 . 2]"
1 97 LEU 0.155 0.124 2 0 "[ . 1 . 2]"
1 98 ALA 1.878 0.166 2 0 "[ . 1 . 2]"
1 101 ARG 12.139 0.623 2 8 "[*+ . *-*1 *. **]"
1 103 ILE 3.381 0.298 11 0 "[ . 1 . 2]"
1 106 VAL 1.341 0.195 15 0 "[ . 1 . 2]"
1 136 ASP 4.058 0.440 2 0 "[ . 1 . 2]"
1 137 PRO 0.954 0.264 16 0 "[ . 1 . 2]"
1 138 CYS 2.685 0.285 14 0 "[ . 1 . 2]"
1 139 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 VAL 4.058 0.440 2 0 "[ . 1 . 2]"
1 141 HIS 1.429 0.264 16 0 "[ . 1 . 2]"
1 142 TYR 2.685 0.285 14 0 "[ . 1 . 2]"
1 143 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 SER 0.475 0.063 15 0 "[ . 1 . 2]"
1 149 ALA 1.341 0.195 15 0 "[ . 1 . 2]"
1 150 SER 9.723 0.468 14 0 "[ . 1 . 2]"
1 151 SER 3.381 0.298 11 0 "[ . 1 . 2]"
1 152 LEU 0.008 0.008 15 0 "[ . 1 . 2]"
1 153 VAL 12.139 0.623 2 8 "[*+ . *-*1 *. **]"
1 154 VAL 2.903 0.512 10 1 "[ . + . 2]"
1 156 LEU 0.187 0.143 11 0 "[ . 1 . 2]"
1 158 HIS 0.507 0.133 18 0 "[ . 1 . 2]"
1 161 GLU 0.507 0.133 18 0 "[ . 1 . 2]"
1 163 TRP 4.340 0.283 4 0 "[ . 1 . 2]"
1 164 GLY 0.187 0.143 11 0 "[ . 1 . 2]"
1 165 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 LEU 2.903 0.512 10 1 "[ . + . 2]"
1 167 VAL 0.709 0.208 3 0 "[ . 1 . 2]"
1 168 SER 0.008 0.008 15 0 "[ . 1 . 2]"
1 169 HIS 1.754 0.246 1 0 "[ . 1 . 2]"
1 170 HIS 9.723 0.468 14 0 "[ . 1 . 2]"
1 178 GLN 0.042 0.042 7 0 "[ . 1 . 2]"
1 179 GLU 2.296 0.150 20 0 "[ . 1 . 2]"
1 180 GLU 0.248 0.101 3 0 "[ . 1 . 2]"
1 181 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 182 GLN 0.042 0.042 7 0 "[ . 1 . 2]"
1 183 VAL 4.448 0.249 15 0 "[ . 1 . 2]"
1 184 VAL 0.248 0.101 3 0 "[ . 1 . 2]"
1 185 GLN 1.382 0.194 13 0 "[ . 1 . 2]"
1 186 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 187 LEU 8.009 0.388 8 0 "[ . 1 . 2]"
1 188 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 189 ASP 2.003 0.194 13 0 "[ . 1 . 2]"
1 190 GLN 0.173 0.089 6 0 "[ . 1 . 2]"
1 191 VAL 5.856 0.388 8 0 "[ . 1 . 2]"
1 192 SER 0.193 0.066 14 0 "[ . 1 . 2]"
1 193 ILE 0.622 0.184 6 0 "[ . 1 . 2]"
1 194 ALA 0.270 0.097 11 0 "[ . 1 . 2]"
1 195 ILE 0.017 0.010 6 0 "[ . 1 . 2]"
1 196 ALA 4.922 0.312 4 0 "[ . 1 . 2]"
1 197 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 ALA 0.097 0.097 11 0 "[ . 1 . 2]"
1 199 GLU 0.017 0.010 6 0 "[ . 1 . 2]"
1 200 LEU 4.730 0.312 4 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 31 LEU O 1 35 LEU H 1.900 . 2.500 2.001 1.685 2.341 . 0 0 "[ . 1 . 2]" 3
2 1 31 LEU O 1 35 LEU N 2.900 2.400 3.600 2.895 2.601 3.270 . 0 0 "[ . 1 . 2]" 3
3 1 32 ASP O 1 36 ARG H 1.900 . 2.500 2.559 2.220 2.643 0.143 15 0 "[ . 1 . 2]" 3
4 1 32 ASP O 1 36 ARG N 2.900 2.400 3.600 3.267 2.938 3.411 . 0 0 "[ . 1 . 2]" 3
5 1 33 GLN O 1 37 ALA H 1.900 . 2.500 2.619 2.224 2.849 0.349 1 0 "[ . 1 . 2]" 3
6 1 33 GLN O 1 37 ALA N 2.900 2.400 3.600 3.454 3.128 3.658 0.058 1 0 "[ . 1 . 2]" 3
7 1 34 ILE O 1 38 THR H 1.900 . 2.500 2.477 2.238 2.670 0.170 17 0 "[ . 1 . 2]" 3
8 1 34 ILE O 1 38 THR N 2.900 2.400 3.600 3.306 3.100 3.455 . 0 0 "[ . 1 . 2]" 3
9 1 35 LEU O 1 39 VAL H 1.900 . 2.500 2.010 1.708 2.467 . 0 0 "[ . 1 . 2]" 3
10 1 35 LEU O 1 39 VAL N 2.900 2.400 3.600 2.965 2.672 3.413 . 0 0 "[ . 1 . 2]" 3
11 1 36 ARG O 1 40 GLU H 1.900 . 2.500 2.748 2.465 2.930 0.430 7 0 "[ . 1 . 2]" 3
12 1 36 ARG O 1 40 GLU N 2.900 2.400 3.600 3.636 3.383 3.815 0.215 7 0 "[ . 1 . 2]" 3
13 1 37 ALA O 1 41 GLU H 1.900 . 2.500 2.130 1.827 2.527 0.027 5 0 "[ . 1 . 2]" 3
14 1 37 ALA O 1 41 GLU N 2.900 2.400 3.600 2.992 2.761 3.356 . 0 0 "[ . 1 . 2]" 3
15 1 38 THR O 1 42 VAL H 1.900 . 2.500 1.915 1.753 2.296 . 0 0 "[ . 1 . 2]" 3
16 1 38 THR O 1 42 VAL N 2.900 2.400 3.600 2.877 2.730 3.212 . 0 0 "[ . 1 . 2]" 3
17 1 39 VAL O 1 43 ARG H 1.900 . 2.500 2.223 2.113 2.459 . 0 0 "[ . 1 . 2]" 3
18 1 39 VAL O 1 43 ARG N 2.900 2.400 3.600 3.159 3.041 3.395 . 0 0 "[ . 1 . 2]" 3
19 1 40 GLU O 1 44 ALA H 1.900 . 2.500 2.252 2.010 2.342 . 0 0 "[ . 1 . 2]" 3
20 1 40 GLU O 1 44 ALA N 2.900 2.400 3.600 3.167 2.941 3.266 . 0 0 "[ . 1 . 2]" 3
21 1 41 GLU O 1 45 PHE H 1.900 . 2.500 2.442 2.015 2.592 0.092 1 0 "[ . 1 . 2]" 3
22 1 41 GLU O 1 45 PHE N 2.900 2.400 3.600 3.301 2.940 3.476 . 0 0 "[ . 1 . 2]" 3
23 1 42 VAL O 1 46 LEU H 1.900 . 2.500 1.702 1.536 1.892 . 0 0 "[ . 1 . 2]" 3
24 1 42 VAL O 1 46 LEU N 2.900 2.400 3.600 2.664 2.467 2.845 . 0 0 "[ . 1 . 2]" 3
25 1 43 ARG O 1 47 GLY H 1.900 . 2.500 1.938 1.718 2.086 . 0 0 "[ . 1 . 2]" 3
26 1 43 ARG O 1 47 GLY N 2.900 2.400 3.600 2.399 2.354 2.471 0.046 3 0 "[ . 1 . 2]" 3
27 1 90 GLU O 1 94 LEU H 1.900 . 2.500 2.876 2.586 3.082 0.582 18 5 "[ * .* *1 .- + 2]" 3
28 1 90 GLU O 1 94 LEU N 2.900 2.400 3.600 3.778 3.500 3.940 0.340 18 0 "[ . 1 . 2]" 3
29 1 91 ALA O 1 95 PHE H 1.900 . 2.500 2.824 2.742 2.952 0.452 14 0 "[ . 1 . 2]" 3
30 1 91 ALA O 1 95 PHE N 2.900 2.400 3.600 3.754 3.669 3.844 0.244 17 0 "[ . 1 . 2]" 3
31 1 92 ARG O 1 96 ARG H 1.900 . 2.500 2.328 1.711 2.997 0.497 14 0 "[ . 1 . 2]" 3
32 1 92 ARG O 1 96 ARG N 2.900 2.400 3.600 3.102 2.684 3.638 0.038 14 0 "[ . 1 . 2]" 3
33 1 93 ARG O 1 97 LEU H 1.900 . 2.500 1.985 1.668 2.624 0.124 2 0 "[ . 1 . 2]" 3
34 1 93 ARG O 1 97 LEU N 2.900 2.400 3.600 2.744 2.369 3.315 0.031 3 0 "[ . 1 . 2]" 3
35 1 94 LEU O 1 98 ALA H 1.900 . 2.500 1.497 1.412 1.600 0.088 7 0 "[ . 1 . 2]" 3
36 1 94 LEU O 1 98 ALA N 2.900 2.400 3.600 2.337 2.234 2.480 0.166 2 0 "[ . 1 . 2]" 3
37 1 136 ASP O 1 140 VAL H 1.900 . 2.500 2.414 1.639 2.940 0.440 2 0 "[ . 1 . 2]" 3
38 1 136 ASP O 1 140 VAL N 2.900 2.400 3.600 3.346 2.590 3.863 0.263 2 0 "[ . 1 . 2]" 3
39 1 137 PRO O 1 141 HIS H 1.900 . 2.500 2.346 1.924 2.764 0.264 16 0 "[ . 1 . 2]" 3
40 1 137 PRO O 1 141 HIS N 2.900 2.400 3.600 3.299 2.889 3.702 0.102 11 0 "[ . 1 . 2]" 3
41 1 138 CYS O 1 142 TYR H 1.900 . 2.500 2.571 2.047 2.785 0.285 14 0 "[ . 1 . 2]" 3
42 1 138 CYS O 1 142 TYR N 2.900 2.400 3.600 3.453 2.899 3.676 0.076 14 0 "[ . 1 . 2]" 3
43 1 139 HIS O 1 143 LEU H 1.900 . 2.500 1.974 1.599 2.261 . 0 0 "[ . 1 . 2]" 3
44 1 139 HIS O 1 143 LEU N 2.900 2.400 3.600 2.918 2.572 3.176 . 0 0 "[ . 1 . 2]" 3
45 1 140 VAL O 1 144 LYS H 1.900 . 2.500 2.034 1.815 2.249 . 0 0 "[ . 1 . 2]" 3
46 1 140 VAL O 1 144 LYS N 2.900 2.400 3.600 2.990 2.760 3.221 . 0 0 "[ . 1 . 2]" 3
47 1 141 HIS O 1 145 SER H 1.900 . 2.500 1.511 1.437 1.642 0.063 15 0 "[ . 1 . 2]" 3
48 1 141 HIS O 1 145 SER N 2.900 2.400 3.600 2.450 2.356 2.610 0.044 18 0 "[ . 1 . 2]" 3
49 1 178 GLN O 1 182 GLN H 1.900 . 2.500 2.326 2.169 2.542 0.042 7 0 "[ . 1 . 2]" 3
50 1 178 GLN O 1 182 GLN N 2.900 2.400 3.600 3.197 3.009 3.507 . 0 0 "[ . 1 . 2]" 3
51 1 179 GLU O 1 183 VAL H 1.900 . 2.500 2.614 2.537 2.650 0.150 20 0 "[ . 1 . 2]" 3
52 1 179 GLU O 1 183 VAL N 2.900 2.400 3.600 3.572 3.491 3.607 0.007 12 0 "[ . 1 . 2]" 3
53 1 180 GLU O 1 184 VAL H 1.900 . 2.500 2.374 1.826 2.601 0.101 3 0 "[ . 1 . 2]" 3
54 1 180 GLU O 1 184 VAL N 2.900 2.400 3.600 3.319 2.787 3.514 . 0 0 "[ . 1 . 2]" 3
55 1 181 LEU O 1 185 GLN H 1.900 . 2.500 1.882 1.687 2.001 . 0 0 "[ . 1 . 2]" 3
56 1 181 LEU O 1 185 GLN N 2.900 2.400 3.600 2.768 2.598 2.909 . 0 0 "[ . 1 . 2]" 3
57 1 182 GLN O 1 186 LEU H 1.900 . 2.500 2.066 1.952 2.236 . 0 0 "[ . 1 . 2]" 3
58 1 182 GLN O 1 186 LEU N 2.900 2.400 3.600 2.953 2.863 3.105 . 0 0 "[ . 1 . 2]" 3
59 1 183 VAL O 1 187 LEU H 1.900 . 2.500 2.604 2.442 2.749 0.249 15 0 "[ . 1 . 2]" 3
60 1 183 VAL O 1 187 LEU N 2.900 2.400 3.600 3.452 3.287 3.617 0.017 17 0 "[ . 1 . 2]" 3
61 1 184 VAL O 1 188 ALA H 1.900 . 2.500 2.192 2.064 2.322 . 0 0 "[ . 1 . 2]" 3
62 1 184 VAL O 1 188 ALA N 2.900 2.400 3.600 3.022 2.901 3.131 . 0 0 "[ . 1 . 2]" 3
63 1 185 GLN O 1 189 ASP H 1.900 . 2.500 2.547 2.330 2.694 0.194 13 0 "[ . 1 . 2]" 3
64 1 185 GLN O 1 189 ASP N 2.900 2.400 3.600 3.416 3.221 3.558 . 0 0 "[ . 1 . 2]" 3
65 1 186 LEU O 1 190 GLN H 1.900 . 2.500 2.146 1.959 2.290 . 0 0 "[ . 1 . 2]" 3
66 1 186 LEU O 1 190 GLN N 2.900 2.400 3.600 3.060 2.888 3.194 . 0 0 "[ . 1 . 2]" 3
67 1 187 LEU O 1 191 VAL H 1.900 . 2.500 2.716 2.578 2.888 0.388 8 0 "[ . 1 . 2]" 3
68 1 187 LEU O 1 191 VAL N 2.900 2.400 3.600 3.675 3.556 3.826 0.226 8 0 "[ . 1 . 2]" 3
69 1 188 ALA O 1 192 SER H 1.900 . 2.500 2.103 1.967 2.364 . 0 0 "[ . 1 . 2]" 3
70 1 188 ALA O 1 192 SER N 2.900 2.400 3.600 3.041 2.909 3.271 . 0 0 "[ . 1 . 2]" 3
71 1 189 ASP O 1 193 ILE H 1.900 . 2.500 2.432 2.097 2.684 0.184 6 0 "[ . 1 . 2]" 3
72 1 189 ASP O 1 193 ILE N 2.900 2.400 3.600 3.214 3.032 3.390 . 0 0 "[ . 1 . 2]" 3
73 1 190 GLN O 1 194 ALA H 1.900 . 2.500 2.253 1.980 2.589 0.089 6 0 "[ . 1 . 2]" 3
74 1 190 GLN O 1 194 ALA N 2.900 2.400 3.600 3.096 2.769 3.413 . 0 0 "[ . 1 . 2]" 3
75 1 191 VAL O 1 195 ILE H 1.900 . 2.500 1.718 1.609 1.847 . 0 0 "[ . 1 . 2]" 3
76 1 191 VAL O 1 195 ILE N 2.900 2.400 3.600 2.684 2.577 2.798 . 0 0 "[ . 1 . 2]" 3
77 1 192 SER O 1 196 ALA H 1.900 . 2.500 2.431 2.153 2.566 0.066 14 0 "[ . 1 . 2]" 3
78 1 192 SER O 1 196 ALA N 2.900 2.400 3.600 3.240 3.004 3.336 . 0 0 "[ . 1 . 2]" 3
79 1 193 ILE O 1 197 GLN H 1.900 . 2.500 1.773 1.655 2.364 . 0 0 "[ . 1 . 2]" 3
80 1 193 ILE O 1 197 GLN N 2.900 2.400 3.600 2.712 2.572 3.223 . 0 0 "[ . 1 . 2]" 3
81 1 194 ALA O 1 198 ALA H 1.900 . 2.500 2.087 1.907 2.597 0.097 11 0 "[ . 1 . 2]" 3
82 1 194 ALA O 1 198 ALA N 2.900 2.400 3.600 2.824 2.655 3.274 . 0 0 "[ . 1 . 2]" 3
83 1 195 ILE O 1 199 GLU H 1.900 . 2.500 2.392 2.246 2.510 0.010 6 0 "[ . 1 . 2]" 3
84 1 195 ILE O 1 199 GLU N 2.900 2.400 3.600 3.209 3.083 3.332 . 0 0 "[ . 1 . 2]" 3
85 1 196 ALA O 1 200 LEU H 1.900 . 2.500 2.718 2.597 2.812 0.312 4 0 "[ . 1 . 2]" 3
86 1 196 ALA O 1 200 LEU N 2.900 2.400 3.600 3.598 3.505 3.670 0.070 2 0 "[ . 1 . 2]" 3
87 1 49 ASP O 1 70 GLY H 1.900 . 2.500 2.112 1.614 2.758 0.258 10 0 "[ . 1 . 2]" 3
88 1 49 ASP O 1 70 GLY N 2.900 2.400 3.600 2.895 2.362 3.533 0.038 1 0 "[ . 1 . 2]" 3
89 1 50 ARG O 1 169 HIS H 1.900 . 2.500 1.878 1.637 2.160 . 0 0 "[ . 1 . 2]" 3
90 1 50 ARG O 1 169 HIS N 2.900 2.400 3.600 2.845 2.584 3.125 . 0 0 "[ . 1 . 2]" 3
91 1 50 ARG H 1 169 HIS O 1.900 . 2.500 2.573 2.355 2.746 0.246 1 0 "[ . 1 . 2]" 3
92 1 50 ARG N 1 169 HIS O 2.900 2.400 3.600 3.313 3.156 3.513 . 0 0 "[ . 1 . 2]" 3
93 1 51 VAL O 1 68 ALA H 1.900 . 2.500 1.981 1.605 2.179 . 0 0 "[ . 1 . 2]" 3
94 1 51 VAL O 1 68 ALA N 2.900 2.400 3.600 2.939 2.570 3.143 . 0 0 "[ . 1 . 2]" 3
95 1 51 VAL H 1 68 ALA O 1.900 . 2.500 2.198 1.741 2.528 0.028 1 0 "[ . 1 . 2]" 3
96 1 51 VAL N 1 68 ALA O 2.900 2.400 3.600 3.121 2.673 3.358 . 0 0 "[ . 1 . 2]" 3
97 1 52 LYS O 1 167 VAL H 1.900 . 2.500 2.446 2.167 2.708 0.208 3 0 "[ . 1 . 2]" 3
98 1 52 LYS O 1 167 VAL N 2.900 2.400 3.600 3.347 3.104 3.591 . 0 0 "[ . 1 . 2]" 3
99 1 52 LYS H 1 167 VAL O 1.900 . 2.500 2.301 2.124 2.531 0.031 3 0 "[ . 1 . 2]" 3
100 1 52 LYS N 1 167 VAL O 2.900 2.400 3.600 3.238 3.064 3.462 . 0 0 "[ . 1 . 2]" 3
101 1 53 VAL H 1 66 ALA O 1.900 . 2.500 2.573 2.388 2.695 0.195 15 0 "[ . 1 . 2]" 3
102 1 53 VAL N 1 66 ALA O 2.900 2.400 3.600 3.434 3.252 3.555 . 0 0 "[ . 1 . 2]" 3
103 1 54 TYR O 1 165 LEU H 1.900 . 2.500 1.918 1.658 2.135 . 0 0 "[ . 1 . 2]" 3
104 1 54 TYR O 1 165 LEU N 2.900 2.400 3.600 2.636 2.464 2.750 . 0 0 "[ . 1 . 2]" 3
105 1 54 TYR H 1 165 LEU O 1.900 . 2.500 1.743 1.551 2.037 . 0 0 "[ . 1 . 2]" 3
106 1 54 TYR N 1 165 LEU O 2.900 2.400 3.600 2.674 2.516 2.904 . 0 0 "[ . 1 . 2]" 3
107 1 55 ARG O 1 63 THR H 1.900 . 2.500 2.678 2.495 2.835 0.335 4 0 "[ . 1 . 2]" 3
108 1 55 ARG O 1 63 THR N 2.900 2.400 3.600 3.432 3.226 3.605 0.005 3 0 "[ . 1 . 2]" 3
109 1 55 ARG H 1 63 THR O 1.900 . 2.500 2.183 1.972 2.395 . 0 0 "[ . 1 . 2]" 3
110 1 55 ARG N 1 63 THR O 2.900 2.400 3.600 3.149 2.936 3.362 . 0 0 "[ . 1 . 2]" 3
111 1 56 PHE H 1 163 TRP O 1.900 . 2.500 2.692 2.313 2.783 0.283 4 0 "[ . 1 . 2]" 3
112 1 56 PHE N 1 163 TRP O 2.900 2.400 3.600 3.552 3.147 3.649 0.049 1 0 "[ . 1 . 2]" 3
113 1 57 ASP O 1 60 GLY H 1.900 . 2.500 1.762 1.538 2.382 . 0 0 "[ . 1 . 2]" 3
114 1 57 ASP O 1 60 GLY N 2.900 2.400 3.600 2.692 2.482 3.294 . 0 0 "[ . 1 . 2]" 3
115 1 57 ASP H 1 61 HIS O 1.900 . 2.500 1.910 1.737 2.166 . 0 0 "[ . 1 . 2]" 3
116 1 57 ASP N 1 61 HIS O 2.900 2.400 3.600 2.540 2.368 2.793 0.032 11 0 "[ . 1 . 2]" 3
117 1 62 GLY H 1 82 PHE O 1.900 . 2.500 2.584 2.311 2.753 0.253 9 0 "[ . 1 . 2]" 3
118 1 62 GLY N 1 82 PHE O 2.900 2.400 3.600 3.423 3.135 3.599 . 0 0 "[ . 1 . 2]" 3
119 1 62 GLY O 1 82 PHE H 1.900 . 2.500 2.411 2.236 2.600 0.100 19 0 "[ . 1 . 2]" 3
120 1 62 GLY O 1 82 PHE N 2.900 2.400 3.600 3.138 2.977 3.341 . 0 0 "[ . 1 . 2]" 3
121 1 64 VAL O 1 79 GLY H 1.900 . 2.500 2.724 2.608 2.974 0.474 6 0 "[ . 1 . 2]" 3
122 1 64 VAL O 1 79 GLY N 2.900 2.400 3.600 3.623 3.525 3.853 0.253 6 0 "[ . 1 . 2]" 3
123 1 64 VAL H 1 80 LEU O 1.900 . 2.500 2.837 2.724 2.938 0.438 17 0 "[ . 1 . 2]" 3
124 1 64 VAL N 1 80 LEU O 2.900 2.400 3.600 3.579 3.522 3.641 0.041 20 0 "[ . 1 . 2]" 3
125 1 53 VAL O 1 65 VAL H 1.900 . 2.500 2.910 2.790 3.008 0.508 10 3 "[ . + .* -]" 3
126 1 53 VAL O 1 65 VAL N 2.900 2.400 3.600 3.760 3.631 3.894 0.294 10 0 "[ . 1 . 2]" 3
127 1 77 LEU O 1 80 LEU H 1.900 . 2.500 2.236 2.027 2.435 . 0 0 "[ . 1 . 2]" 3
128 1 77 LEU O 1 80 LEU N 2.900 2.400 3.600 2.911 2.740 3.028 . 0 0 "[ . 1 . 2]" 3
129 1 83 PRO O 1 86 ASP H 1.900 . 2.500 2.001 1.663 2.235 . 0 0 "[ . 1 . 2]" 3
130 1 83 PRO O 1 86 ASP N 2.900 2.400 3.600 2.919 2.616 3.161 . 0 0 "[ . 1 . 2]" 3
131 1 106 VAL H 1 149 ALA O 1.900 . 2.500 2.444 2.074 2.695 0.195 15 0 "[ . 1 . 2]" 3
132 1 106 VAL N 1 149 ALA O 2.900 2.400 3.600 3.410 3.054 3.674 0.074 15 0 "[ . 1 . 2]" 3
133 1 150 SER O 1 170 HIS H 1.900 . 2.500 2.761 2.639 2.968 0.468 14 0 "[ . 1 . 2]" 3
134 1 150 SER O 1 170 HIS N 2.900 2.400 3.600 3.701 3.575 3.794 0.194 9 0 "[ . 1 . 2]" 3
135 1 150 SER H 1 170 HIS O 1.900 . 2.500 2.589 2.059 2.756 0.256 16 0 "[ . 1 . 2]" 3
136 1 150 SER N 1 170 HIS O 2.900 2.400 3.600 3.460 2.923 3.589 . 0 0 "[ . 1 . 2]" 3
137 1 103 ILE H 1 151 SER O 1.900 . 2.500 2.661 2.582 2.798 0.298 11 0 "[ . 1 . 2]" 3
138 1 103 ILE N 1 151 SER O 2.900 2.400 3.600 3.511 3.413 3.710 0.110 11 0 "[ . 1 . 2]" 3
139 1 152 LEU O 1 168 SER H 1.900 . 2.500 1.792 1.622 2.059 . 0 0 "[ . 1 . 2]" 3
140 1 152 LEU O 1 168 SER N 2.900 2.400 3.600 2.675 2.523 2.844 . 0 0 "[ . 1 . 2]" 3
141 1 152 LEU H 1 168 SER O 1.900 . 2.500 2.307 2.104 2.508 0.008 15 0 "[ . 1 . 2]" 3
142 1 152 LEU N 1 168 SER O 2.900 2.400 3.600 3.127 2.846 3.375 . 0 0 "[ . 1 . 2]" 3
143 1 101 ARG O 1 153 VAL H 1.900 . 2.500 2.943 2.753 3.123 0.623 2 8 "[*+ . *-*1 *. **]" 3
144 1 101 ARG O 1 153 VAL N 2.900 2.400 3.600 3.764 3.606 3.923 0.323 20 0 "[ . 1 . 2]" 3
145 1 154 VAL O 1 166 LEU H 1.900 . 2.500 2.404 1.740 3.012 0.512 10 1 "[ . + . 2]" 3
146 1 154 VAL O 1 166 LEU N 2.900 2.400 3.600 3.157 2.468 3.743 0.143 10 0 "[ . 1 . 2]" 3
147 1 154 VAL H 1 166 LEU O 1.900 . 2.500 1.992 1.655 2.326 . 0 0 "[ . 1 . 2]" 3
148 1 154 VAL N 1 166 LEU O 2.900 2.400 3.600 2.943 2.555 3.303 . 0 0 "[ . 1 . 2]" 3
149 1 156 LEU O 1 164 GLY H 1.900 . 2.500 2.324 2.100 2.543 0.043 12 0 "[ . 1 . 2]" 3
150 1 156 LEU O 1 164 GLY N 2.900 2.400 3.600 3.278 3.056 3.464 . 0 0 "[ . 1 . 2]" 3
151 1 156 LEU H 1 164 GLY O 1.900 . 2.500 2.322 2.000 2.643 0.143 11 0 "[ . 1 . 2]" 3
152 1 156 LEU N 1 164 GLY O 2.900 2.400 3.600 3.177 2.880 3.429 . 0 0 "[ . 1 . 2]" 3
153 1 158 HIS O 1 161 GLU H 1.900 . 2.500 2.285 1.886 2.633 0.133 18 0 "[ . 1 . 2]" 3
154 1 158 HIS O 1 161 GLU N 2.900 2.400 3.600 3.212 2.839 3.546 . 0 0 "[ . 1 . 2]" 3
155 1 158 HIS H 1 161 GLU O 1.900 . 2.500 2.307 1.938 2.598 0.098 12 0 "[ . 1 . 2]" 3
156 1 158 HIS N 1 161 GLU O 2.900 2.400 3.600 3.031 2.744 3.324 . 0 0 "[ . 1 . 2]" 3
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