NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
516331 |
1yjj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yjj
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 27
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 215.161
_Distance_constraint_stats_list.Viol_max 0.771
_Distance_constraint_stats_list.Viol_rms 0.1085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0354
_Distance_constraint_stats_list.Viol_average_violations_only 0.1576
_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 38 ASP 5.347 0.771 2 7 "[ +* *** 1 - *]"
1 39 CYS 0.313 0.109 1 0 "[ . 1 .]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 41 GLY 0.048 0.048 1 0 "[ . 1 .]"
1 42 SER 0.000 0.000 . 0 "[ . 1 .]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 44 SER 0.446 0.065 13 0 "[ . 1 .]"
1 45 CYS 0.131 0.040 14 0 "[ . 1 .]"
1 46 ALA 0.058 0.058 3 0 "[ . 1 .]"
1 47 THR 0.890 0.219 5 0 "[ . 1 .]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 84 LEU 0.460 0.232 3 0 "[ . 1 .]"
1 85 CYS 2.113 0.240 4 0 "[ . 1 .]"
1 86 CYS 0.369 0.120 15 0 "[ . 1 .]"
1 87 GLN 4.171 0.520 12 1 "[ . 1 + .]"
2 1 FES 14.344 0.771 2 8 "[ +* *** 1 *- *]"
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 38 ASP N 2 1 FES FE1 4.500 4.000 5.000 5.329 4.763 5.771 0.771 2 7 "[ +* *** 1 - *]" 1
2 1 39 CYS N 2 1 FES FE1 4.400 3.900 4.900 3.912 3.791 4.028 0.109 1 0 "[ . 1 .]" 1
3 1 40 GLY N 2 1 FES FE1 4.700 4.200 5.200 4.643 4.456 4.778 . 0 0 "[ . 1 .]" 1
4 1 41 GLY N 2 1 FES FE1 3.900 3.400 4.400 4.209 4.096 4.448 0.048 1 0 "[ . 1 .]" 1
5 1 42 SER N 2 1 FES FE1 4.700 4.200 5.200 4.696 4.394 5.061 . 0 0 "[ . 1 .]" 1
6 1 43 ALA N 2 1 FES FE1 4.500 4.000 5.000 4.496 4.391 4.896 . 0 0 "[ . 1 .]" 1
7 1 44 SER N 2 1 FES FE1 4.500 4.000 5.000 4.046 3.938 4.395 0.062 1 0 "[ . 1 .]" 1
8 1 45 CYS N 2 1 FES FE1 4.000 3.500 4.500 3.522 3.460 3.700 0.040 14 0 "[ . 1 .]" 1
9 1 46 ALA N 2 1 FES FE1 4.500 4.000 5.000 4.684 4.544 5.058 0.058 3 0 "[ . 1 .]" 1
10 1 47 THR N 2 1 FES FE1 4.400 3.900 4.900 4.935 4.772 5.119 0.219 5 0 "[ . 1 .]" 1
11 1 48 CYS N 2 1 FES FE2 4.800 4.300 5.300 4.447 4.303 4.513 . 0 0 "[ . 1 .]" 1
12 1 85 CYS N 2 1 FES FE2 4.700 4.200 5.200 5.181 4.933 5.420 0.220 9 0 "[ . 1 .]" 1
13 1 86 CYS N 2 1 FES FE2 4.600 4.100 5.100 4.266 4.198 4.337 . 0 0 "[ . 1 .]" 1
14 1 87 GLN N 2 1 FES FE2 4.600 4.100 5.100 5.378 5.126 5.620 0.520 12 1 "[ . 1 + .]" 1
15 1 38 ASP C 2 1 FES FE1 5.700 4.900 6.500 5.078 4.898 5.227 0.002 1 0 "[ . 1 .]" 1
16 1 39 CYS C 2 1 FES FE1 5.300 4.500 6.100 4.580 4.525 4.676 . 0 0 "[ . 1 .]" 1
17 1 40 GLY C 2 1 FES FE1 5.500 4.700 6.300 5.331 5.207 5.564 . 0 0 "[ . 1 .]" 1
18 1 41 GLY C 2 1 FES FE1 5.500 4.700 6.300 4.988 4.820 5.378 . 0 0 "[ . 1 .]" 1
19 1 42 SER C 2 1 FES FE1 5.800 5.000 6.600 5.389 5.272 5.780 . 0 0 "[ . 1 .]" 1
20 1 43 ALA C 2 1 FES FE1 5.200 4.400 6.000 4.904 4.725 5.281 . 0 0 "[ . 1 .]" 1
21 1 44 SER C 2 1 FES FE1 5.200 4.400 6.000 4.424 4.335 4.710 0.065 13 0 "[ . 1 .]" 1
22 1 45 CYS C 2 1 FES FE1 4.700 3.900 5.500 4.001 3.913 4.063 . 0 0 "[ . 1 .]" 1
23 1 46 ALA C 2 1 FES FE1 5.300 4.500 6.100 5.649 5.423 5.823 . 0 0 "[ . 1 .]" 1
24 1 48 CYS C 2 1 FES FE2 5.900 5.100 6.700 5.349 5.282 5.401 . 0 0 "[ . 1 .]" 1
25 1 84 LEU C 2 1 FES FE2 6.300 5.500 7.100 5.719 5.268 6.137 0.232 3 0 "[ . 1 .]" 1
26 1 85 CYS C 2 1 FES FE2 6.300 5.500 7.100 5.397 5.260 5.549 0.240 4 0 "[ . 1 .]" 1
27 1 86 CYS C 2 1 FES FE2 5.900 5.100 6.700 5.145 4.980 5.297 0.120 15 0 "[ . 1 .]" 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 1131
_Distance_constraint_stats_list.Viol_count 2561
_Distance_constraint_stats_list.Viol_total 9415.546
_Distance_constraint_stats_list.Viol_max 1.581
_Distance_constraint_stats_list.Viol_rms 0.1196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0370
_Distance_constraint_stats_list.Viol_average_violations_only 0.2451
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 2.900 0.267 3 0 "[ . 1 .]"
1 2 LYS 21.293 0.517 6 1 "[ .+ 1 .]"
1 3 VAL 27.689 0.636 5 4 "[ + 1* *-]"
1 4 VAL 22.179 0.878 9 15 [*******-+******]
1 5 TYR 47.706 0.815 12 15 [***-*******+***]
1 6 VAL 6.679 0.278 10 0 "[ . 1 .]"
1 7 SER 21.880 1.581 8 6 "[*- .**+ 1 *]"
1 8 HIS 6.652 0.252 9 0 "[ . 1 .]"
1 9 ASP 3.209 0.195 14 0 "[ . 1 .]"
1 10 GLY 3.077 0.278 10 0 "[ . 1 .]"
1 11 THR 8.448 0.315 3 0 "[ . 1 .]"
1 12 ARG 7.502 0.285 4 0 "[ . 1 .]"
1 13 ARG 29.527 1.581 8 11 "[*****-*+ * * *]"
1 14 GLU 30.694 0.878 9 15 [*****-**+******]
1 15 LEU 38.930 1.402 14 15 [*************+-]
1 16 ASP 6.408 0.397 8 0 "[ . 1 .]"
1 17 VAL 31.677 1.402 14 15 [*********-***+*]
1 18 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 19 ASP 15.982 0.616 12 5 "[* - * * 1 + .]"
1 20 GLY 9.777 0.284 13 0 "[ . 1 .]"
1 21 VAL 17.994 0.660 9 14 "[***-****+** ***]"
1 22 SER 15.364 0.650 6 14 "[**-**+**** ****]"
1 23 LEU 13.498 0.525 15 3 "[ * . - 1 +]"
1 24 MET 5.515 0.525 15 3 "[ * . - 1 +]"
1 25 GLN 0.308 0.102 15 0 "[ . 1 .]"
1 26 ALA 20.072 0.660 9 14 "[***-****+** ***]"
1 27 ALA 9.180 0.790 2 4 "[ + . * * -.]"
1 28 VAL 1.807 0.743 8 1 "[ . + 1 .]"
1 29 SER 6.787 0.514 8 1 "[ . + 1 .]"
1 30 ASN 17.846 0.512 13 1 "[ . 1 + .]"
1 31 GLY 6.832 0.514 8 1 "[ . + 1 .]"
1 32 ILE 21.546 0.790 2 9 "[*+ ** * * * *-]"
1 33 TYR 9.157 0.707 4 3 "[- +. * .]"
1 34 ASP 2.643 0.504 9 1 "[ . +1 .]"
1 35 ILE 3.893 0.504 9 1 "[ . +1 .]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 47 THR 0.000 0.000 . 0 "[ . 1 .]"
1 49 HIS 25.880 0.651 8 7 "[ ***-* + 1 *.]"
1 50 VAL 11.931 0.582 1 6 "[+ .* -*** .]"
1 51 TYR 37.994 0.791 7 12 "[*** **+*** ** -]"
1 52 VAL 30.506 0.627 8 14 "[** ****+****-**]"
1 53 ASN 16.510 0.399 11 0 "[ . 1 .]"
1 54 GLU 0.535 0.200 13 0 "[ . 1 .]"
1 55 ALA 2.778 0.299 11 0 "[ . 1 .]"
1 56 PHE 36.474 0.691 10 12 "[ ***.****+*- **]"
1 57 THR 19.247 0.629 10 11 "[****-* **+* * .]"
1 58 ASP 9.067 0.489 13 0 "[ . 1 .]"
1 59 LYS 12.523 0.629 10 11 "[ ***-* **+* * *]"
1 60 VAL 30.607 0.995 15 5 "[* * *-1 +]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 62 ALA 17.868 1.231 15 15 [-*************+]
1 63 ALA 19.748 1.231 15 15 [****-*********+]
1 64 ASN 3.607 0.428 6 0 "[ . 1 .]"
1 65 GLU 8.102 0.428 6 0 "[ . 1 .]"
1 66 ARG 4.481 0.342 12 0 "[ . 1 .]"
1 67 GLU 3.839 0.809 13 1 "[ . 1 + .]"
1 68 ILE 2.977 0.320 10 0 "[ . 1 .]"
1 69 GLY 8.090 0.391 12 0 "[ . 1 .]"
1 70 MET 5.742 0.809 13 1 "[ . 1 + .]"
1 71 LEU 9.214 0.791 7 11 "[*** **+ ** ** -]"
1 72 GLU 4.446 0.391 12 0 "[ . 1 .]"
1 73 CYS 2.222 0.303 12 0 "[ . 1 .]"
1 74 VAL 3.686 0.458 2 0 "[ . 1 .]"
1 75 THR 1.472 0.511 15 1 "[ . 1 +]"
1 76 ALA 5.810 0.296 11 0 "[ . 1 .]"
1 77 GLU 8.118 0.651 8 4 "[ -*.* + 1 .]"
1 78 LEU 22.868 0.802 4 15 [***+*****-*****]
1 79 LYS 12.771 0.675 3 15 [**+*****-******]
1 80 PRO 0.035 0.035 3 0 "[ . 1 .]"
1 81 ASN 2.342 0.213 15 0 "[ . 1 .]"
1 82 SER 21.618 0.724 12 7 "[** * - * +* .]"
1 83 ARG 30.569 1.389 15 14 "[*********-** *+]"
1 84 LEU 0.996 0.461 3 0 "[ . 1 .]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 88 ILE 12.662 1.389 15 8 "[** .*- *1** +]"
1 89 ILE 22.375 0.650 6 14 "[*****+**-* ****]"
1 90 MET 26.945 0.837 3 15 [**+******-*****]
1 91 THR 15.685 0.388 11 0 "[ . 1 .]"
1 92 PRO 0.669 0.169 13 0 "[ . 1 .]"
1 93 GLU 5.645 0.353 13 0 "[ . 1 .]"
1 94 LEU 28.935 0.654 8 3 "[ * . +-1 .]"
1 95 ASP 0.229 0.229 8 0 "[ . 1 .]"
1 96 GLY 11.076 0.691 10 9 "[ **-. * *+* **]"
1 97 ILE 30.772 0.590 14 6 "[ ** 1*- +*]"
1 98 VAL 14.232 0.399 11 0 "[ . 1 .]"
1 99 VAL 43.562 0.815 12 15 [***********+-**]
1 100 ASP 29.238 0.702 12 15 [-**********+***]
1 101 VAL 7.298 0.386 15 0 "[ . 1 .]"
1 102 PRO 17.188 0.715 14 3 "[ * - 1 +.]"
1 103 ASP 2.888 0.301 6 0 "[ . 1 .]"
1 104 ARG 15.610 0.535 6 3 "[ *+ 1 -]"
1 105 GLN 13.152 0.715 14 3 "[ -* 1 +.]"
1 106 TRP 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 LYS H 3.000 . 3.300 2.391 2.301 2.481 . 0 0 "[ . 1 .]" 2
2 1 1 SER HB2 1 2 LYS H 3.000 . 3.300 3.132 2.922 3.278 . 0 0 "[ . 1 .]" 2
3 1 1 SER HB3 1 2 LYS H 4.000 . 4.300 3.375 2.938 4.024 . 0 0 "[ . 1 .]" 2
4 1 1 SER HB3 1 17 VAL H 5.000 . 5.300 5.304 4.789 5.567 0.267 3 0 "[ . 1 .]" 2
5 1 1 SER HB2 1 90 MET ME 3.000 . 3.300 3.121 2.574 3.347 0.047 4 0 "[ . 1 .]" 2
6 1 1 SER HA 1 92 PRO HA 3.000 . 3.300 2.584 2.458 2.748 . 0 0 "[ . 1 .]" 2
7 1 1 SER QB 1 95 ASP HA 3.000 . 3.300 2.289 2.199 2.561 . 0 0 "[ . 1 .]" 2
8 1 1 SER HB2 1 96 GLY H 4.000 . 4.300 4.215 3.917 4.416 0.116 15 0 "[ . 1 .]" 2
9 1 1 SER HB3 1 96 GLY H 5.000 . 5.300 4.811 4.388 5.473 0.173 1 0 "[ . 1 .]" 2
10 1 2 LYS H 1 3 VAL H 5.000 . 5.300 4.474 4.440 4.499 . 0 0 "[ . 1 .]" 2
11 1 2 LYS HA 1 3 VAL H 3.000 . 3.300 2.229 2.211 2.247 . 0 0 "[ . 1 .]" 2
12 1 2 LYS QB 1 3 VAL H 3.000 . 3.300 3.509 3.404 3.565 0.265 8 0 "[ . 1 .]" 2
13 1 2 LYS QG 1 3 VAL H 4.000 . 4.300 4.311 4.238 4.359 0.059 8 0 "[ . 1 .]" 2
14 1 2 LYS HD2 1 3 VAL H 4.000 . 4.300 3.639 3.088 4.352 0.052 5 0 "[ . 1 .]" 2
15 1 2 LYS HA 1 16 ASP HA 3.000 . 3.300 3.357 3.291 3.436 0.136 2 0 "[ . 1 .]" 2
16 1 2 LYS HA 1 17 VAL H 4.000 . 4.300 4.437 4.337 4.496 0.196 2 0 "[ . 1 .]" 2
17 1 2 LYS QB 1 95 ASP HA 4.000 . 4.300 3.372 3.276 3.452 . 0 0 "[ . 1 .]" 2
18 1 2 LYS QG 1 96 GLY H 4.000 . 4.300 4.271 4.096 4.372 0.072 9 0 "[ . 1 .]" 2
19 1 2 LYS H 1 96 GLY QA 4.000 . 4.300 4.320 4.119 4.392 0.092 15 0 "[ . 1 .]" 2
20 1 2 LYS QB 1 96 GLY HA2 3.000 . 3.300 2.551 2.293 2.666 . 0 0 "[ . 1 .]" 2
21 1 2 LYS HB3 1 96 GLY H 3.000 . 3.300 2.914 2.815 3.014 . 0 0 "[ . 1 .]" 2
22 1 2 LYS HB2 1 96 GLY H 3.000 . 3.300 2.450 2.238 2.626 . 0 0 "[ . 1 .]" 2
23 1 2 LYS H 1 97 ILE H 4.000 . 4.300 4.683 4.578 4.746 0.446 9 0 "[ . 1 .]" 2
24 1 2 LYS HB3 1 97 ILE H 4.000 . 4.300 4.706 4.650 4.817 0.517 6 1 "[ .+ 1 .]" 2
25 1 2 LYS HB2 1 97 ILE H 5.000 . 5.300 4.610 4.443 4.818 . 0 0 "[ . 1 .]" 2
26 1 3 VAL HA 1 4 VAL H 3.000 . 3.300 2.189 2.166 2.209 . 0 0 "[ . 1 .]" 2
27 1 3 VAL MG1 1 4 VAL H 3.000 . 3.300 2.965 2.865 3.057 . 0 0 "[ . 1 .]" 2
28 1 3 VAL MG2 1 4 VAL H 4.000 . 4.300 3.851 3.649 4.041 . 0 0 "[ . 1 .]" 2
29 1 3 VAL MG1 1 5 TYR QD 3.000 . 3.300 2.909 2.688 3.253 . 0 0 "[ . 1 .]" 2
30 1 3 VAL MG1 1 5 TYR HH 3.000 . 3.300 2.805 2.631 2.910 . 0 0 "[ . 1 .]" 2
31 1 3 VAL MG2 1 5 TYR HH 4.000 . 4.300 4.398 4.316 4.507 0.207 5 0 "[ . 1 .]" 2
32 1 3 VAL MG1 1 5 TYR H 4.000 . 4.300 4.085 3.908 4.308 0.008 11 0 "[ . 1 .]" 2
33 1 3 VAL MG1 1 5 TYR QE 3.000 . 3.300 2.103 2.020 2.412 . 0 0 "[ . 1 .]" 2
34 1 3 VAL MG1 1 14 GLU HA 4.000 . 4.300 3.911 3.537 4.509 0.209 8 0 "[ . 1 .]" 2
35 1 3 VAL H 1 15 LEU H 3.000 . 3.300 3.135 2.841 3.263 . 0 0 "[ . 1 .]" 2
36 1 3 VAL HA 1 15 LEU H 5.000 . 5.300 4.708 4.561 4.834 . 0 0 "[ . 1 .]" 2
37 1 3 VAL HB 1 15 LEU H 5.000 . 5.300 3.044 2.895 3.289 . 0 0 "[ . 1 .]" 2
38 1 3 VAL MG1 1 15 LEU H 4.000 . 4.300 2.992 2.539 3.678 . 0 0 "[ . 1 .]" 2
39 1 3 VAL MG1 1 15 LEU HB3 4.000 . 4.300 4.665 3.532 4.936 0.636 5 3 "[ + 1* -]" 2
40 1 3 VAL MG1 1 15 LEU HB2 3.000 . 3.300 3.460 3.272 3.586 0.286 5 0 "[ . 1 .]" 2
41 1 3 VAL MG1 1 15 LEU MD2 5.000 . 5.300 4.071 3.722 5.033 . 0 0 "[ . 1 .]" 2
42 1 3 VAL MG1 1 15 LEU MD1 4.000 . 4.300 3.173 2.935 4.113 . 0 0 "[ . 1 .]" 2
43 1 3 VAL H 1 16 ASP HA 3.000 . 3.300 3.540 3.459 3.697 0.397 8 0 "[ . 1 .]" 2
44 1 3 VAL H 1 17 VAL H 5.000 . 5.300 4.169 4.019 4.364 . 0 0 "[ . 1 .]" 2
45 1 3 VAL MG2 1 17 VAL H 4.000 . 4.300 3.058 2.492 3.579 . 0 0 "[ . 1 .]" 2
46 1 3 VAL MG1 1 17 VAL H 5.000 . 5.300 4.826 4.625 5.380 0.080 8 0 "[ . 1 .]" 2
47 1 3 VAL HB 1 17 VAL MG2 4.000 . 4.300 2.208 2.141 2.422 . 0 0 "[ . 1 .]" 2
48 1 3 VAL MG1 1 23 LEU HB3 4.000 . 4.300 3.886 3.216 4.288 . 0 0 "[ . 1 .]" 2
49 1 3 VAL MG1 1 23 LEU HB2 5.000 . 5.300 5.101 4.582 5.344 0.044 15 0 "[ . 1 .]" 2
50 1 3 VAL MG1 1 23 LEU MD1 4.000 . 4.300 3.357 1.962 3.829 . 0 0 "[ . 1 .]" 2
51 1 3 VAL HB 1 23 LEU MD2 5.000 . 5.300 3.857 3.632 5.359 0.059 15 0 "[ . 1 .]" 2
52 1 3 VAL MG1 1 23 LEU HG 4.000 . 4.300 4.366 4.166 4.519 0.219 5 0 "[ . 1 .]" 2
53 1 3 VAL MG2 1 90 MET QB 4.000 . 4.300 3.059 2.769 3.297 . 0 0 "[ . 1 .]" 2
54 1 3 VAL MG2 1 90 MET ME 4.000 . 4.300 3.158 2.857 3.426 . 0 0 "[ . 1 .]" 2
55 1 3 VAL HA 1 96 GLY H 4.000 . 4.300 3.885 3.744 3.999 . 0 0 "[ . 1 .]" 2
56 1 3 VAL H 1 96 GLY H 5.000 . 5.300 4.662 4.493 4.785 . 0 0 "[ . 1 .]" 2
57 1 3 VAL MG2 1 96 GLY H 4.000 . 4.300 4.248 4.150 4.319 0.019 14 0 "[ . 1 .]" 2
58 1 3 VAL HA 1 97 ILE H 3.000 . 3.300 3.752 3.624 3.890 0.590 14 4 "[ * 1- +*]" 2
59 1 3 VAL HA 1 97 ILE MG 4.000 . 4.300 2.063 1.945 2.121 . 0 0 "[ . 1 .]" 2
60 1 3 VAL H 1 97 ILE MG 4.000 . 4.300 4.365 4.195 4.480 0.180 3 0 "[ . 1 .]" 2
61 1 3 VAL MG1 1 97 ILE MG 3.000 . 3.300 2.947 2.569 3.563 0.263 1 0 "[ . 1 .]" 2
62 1 3 VAL MG2 1 97 ILE H 5.000 . 5.300 4.199 4.057 4.399 . 0 0 "[ . 1 .]" 2
63 1 3 VAL MG1 1 99 VAL H 5.000 . 5.300 4.579 4.282 4.813 . 0 0 "[ . 1 .]" 2
64 1 3 VAL MG1 1 99 VAL MG2 4.000 . 4.300 2.690 2.388 2.901 . 0 0 "[ . 1 .]" 2
65 1 4 VAL HA 1 5 TYR H 3.000 . 3.300 2.080 2.061 2.132 . 0 0 "[ . 1 .]" 2
66 1 4 VAL HA 1 5 TYR QD 5.000 . 5.300 3.817 3.374 4.052 . 0 0 "[ . 1 .]" 2
67 1 4 VAL HA 1 5 TYR QE 5.000 . 5.300 5.265 4.726 5.436 0.136 1 0 "[ . 1 .]" 2
68 1 4 VAL H 1 5 TYR QD 5.000 . 5.300 5.188 4.887 5.363 0.063 8 0 "[ . 1 .]" 2
69 1 4 VAL HB 1 5 TYR H 5.000 . 5.300 4.103 3.803 4.367 . 0 0 "[ . 1 .]" 2
70 1 4 VAL MG1 1 5 TYR H 4.000 . 4.300 2.513 2.423 2.817 . 0 0 "[ . 1 .]" 2
71 1 4 VAL MG2 1 5 TYR H 5.000 . 5.300 3.863 3.720 4.212 . 0 0 "[ . 1 .]" 2
72 1 4 VAL MG1 1 12 ARG QB 3.000 . 3.300 2.700 2.512 2.930 . 0 0 "[ . 1 .]" 2
73 1 4 VAL HA 1 14 GLU HA 3.000 . 3.300 2.180 2.122 2.258 . 0 0 "[ . 1 .]" 2
74 1 4 VAL HA 1 14 GLU H 4.000 . 4.300 4.638 4.556 4.709 0.409 14 0 "[ . 1 .]" 2
75 1 4 VAL HB 1 14 GLU HA 4.000 . 4.300 5.069 4.934 5.178 0.878 9 15 [*******-+******] 2
76 1 4 VAL MG1 1 14 GLU HA 4.000 . 4.300 3.747 3.421 4.185 . 0 0 "[ . 1 .]" 2
77 1 4 VAL MG2 1 14 GLU HA 4.000 . 4.300 3.233 2.912 3.817 . 0 0 "[ . 1 .]" 2
78 1 4 VAL HA 1 15 LEU H 4.000 . 4.300 3.661 3.488 3.768 . 0 0 "[ . 1 .]" 2
79 1 4 VAL MG2 1 15 LEU H 5.000 . 5.300 4.387 4.086 4.651 . 0 0 "[ . 1 .]" 2
80 1 4 VAL H 1 97 ILE H 4.000 . 4.300 4.561 4.445 4.708 0.408 1 0 "[ . 1 .]" 2
81 1 4 VAL H 1 98 VAL HA 3.000 . 3.300 3.307 3.063 3.404 0.104 11 0 "[ . 1 .]" 2
82 1 4 VAL HB 1 98 VAL HA 3.000 . 3.300 2.326 2.290 2.401 . 0 0 "[ . 1 .]" 2
83 1 4 VAL H 1 99 VAL H 4.000 . 4.300 3.802 3.597 4.015 . 0 0 "[ . 1 .]" 2
84 1 5 TYR H 1 6 VAL H 4.500 . 4.800 4.316 4.279 4.347 . 0 0 "[ . 1 .]" 2
85 1 5 TYR HA 1 6 VAL H 3.000 . 3.300 2.212 2.197 2.231 . 0 0 "[ . 1 .]" 2
86 1 5 TYR HA 1 6 VAL MG2 4.000 . 4.300 3.710 3.518 3.966 . 0 0 "[ . 1 .]" 2
87 1 5 TYR HB3 1 6 VAL H 5.000 . 5.300 3.571 3.504 3.655 . 0 0 "[ . 1 .]" 2
88 1 5 TYR HB2 1 6 VAL H 5.000 . 5.300 4.400 4.324 4.445 . 0 0 "[ . 1 .]" 2
89 1 5 TYR QD 1 6 VAL H 5.000 . 5.300 4.142 4.013 4.507 . 0 0 "[ . 1 .]" 2
90 1 5 TYR H 1 13 ARG H 3.000 . 3.300 2.951 2.874 3.044 . 0 0 "[ . 1 .]" 2
91 1 5 TYR H 1 13 ARG HA 5.000 . 5.300 4.801 4.694 4.929 . 0 0 "[ . 1 .]" 2
92 1 5 TYR HB2 1 13 ARG QB 5.000 . 5.300 2.570 2.266 3.415 . 0 0 "[ . 1 .]" 2
93 1 5 TYR QD 1 13 ARG QB 5.000 . 5.300 3.342 2.926 3.702 . 0 0 "[ . 1 .]" 2
94 1 5 TYR QD 1 13 ARG QG 5.000 . 5.300 4.255 3.847 4.715 . 0 0 "[ . 1 .]" 2
95 1 5 TYR QE 1 13 ARG QG 5.000 . 5.300 5.683 5.293 5.955 0.655 12 5 "[ *-* * + .]" 2
96 1 5 TYR QE 1 13 ARG QB 5.000 . 5.300 5.224 4.761 5.527 0.227 10 0 "[ . 1 .]" 2
97 1 5 TYR H 1 14 GLU HA 4.000 . 4.300 3.081 2.872 3.334 . 0 0 "[ . 1 .]" 2
98 1 5 TYR QD 1 14 GLU HA 5.000 . 5.300 3.529 3.217 4.107 . 0 0 "[ . 1 .]" 2
99 1 5 TYR QD 1 14 GLU H 5.000 . 5.300 5.177 5.019 5.372 0.072 8 0 "[ . 1 .]" 2
100 1 5 TYR QE 1 14 GLU HA 5.000 . 5.300 4.944 4.390 5.377 0.077 8 0 "[ . 1 .]" 2
101 1 5 TYR QD 1 15 LEU H 4.000 . 4.300 3.681 3.498 3.875 . 0 0 "[ . 1 .]" 2
102 1 5 TYR QD 1 15 LEU QB 5.000 . 5.300 4.454 2.928 4.692 . 0 0 "[ . 1 .]" 2
103 1 5 TYR QD 1 15 LEU HG 5.000 . 5.300 2.815 2.389 5.348 0.048 8 0 "[ . 1 .]" 2
104 1 5 TYR QE 1 15 LEU HG 5.000 . 5.300 2.400 2.194 4.453 . 0 0 "[ . 1 .]" 2
105 1 5 TYR QE 1 15 LEU HB3 4.000 . 4.300 4.447 3.085 4.667 0.367 10 0 "[ . 1 .]" 2
106 1 5 TYR QE 1 15 LEU HB2 3.000 . 3.300 3.436 2.269 3.772 0.472 10 0 "[ . 1 .]" 2
107 1 5 TYR QE 1 15 LEU MD1 4.000 . 4.300 2.063 2.010 2.405 . 0 0 "[ . 1 .]" 2
108 1 5 TYR QE 1 15 LEU MD2 4.000 . 4.300 3.486 2.506 3.885 . 0 0 "[ . 1 .]" 2
109 1 5 TYR QD 1 15 LEU MD1 5.000 . 5.300 3.117 2.737 3.372 . 0 0 "[ . 1 .]" 2
110 1 5 TYR QD 1 15 LEU MD2 5.000 . 5.300 3.037 2.688 4.275 . 0 0 "[ . 1 .]" 2
111 1 5 TYR QE 1 23 LEU HA 4.000 . 4.300 4.495 4.371 4.551 0.251 10 0 "[ . 1 .]" 2
112 1 5 TYR QE 1 23 LEU QB 5.000 . 5.300 2.890 2.533 3.083 . 0 0 "[ . 1 .]" 2
113 1 5 TYR HH 1 23 LEU QB 5.000 . 5.300 2.949 2.897 3.105 . 0 0 "[ . 1 .]" 2
114 1 5 TYR QE 1 23 LEU MD2 4.000 . 4.300 3.317 2.963 4.684 0.384 15 0 "[ . 1 .]" 2
115 1 5 TYR HH 1 23 LEU MD2 5.000 . 5.300 2.852 2.533 4.140 . 0 0 "[ . 1 .]" 2
116 1 5 TYR HH 1 23 LEU MD1 4.000 . 4.300 4.345 2.520 4.567 0.267 7 0 "[ . 1 .]" 2
117 1 5 TYR QE 1 26 ALA MB 5.000 . 5.300 3.987 3.743 4.379 . 0 0 "[ . 1 .]" 2
118 1 5 TYR HH 1 26 ALA MB 3.000 . 3.300 3.218 3.062 3.376 0.076 8 0 "[ . 1 .]" 2
119 1 5 TYR HH 1 27 ALA MB 4.000 . 4.300 2.886 2.357 3.081 . 0 0 "[ . 1 .]" 2
120 1 5 TYR HH 1 27 ALA H 3.000 . 3.300 3.503 3.402 3.623 0.323 4 0 "[ . 1 .]" 2
121 1 5 TYR QE 1 27 ALA H 5.000 . 5.300 4.885 4.765 5.117 . 0 0 "[ . 1 .]" 2
122 1 5 TYR QE 1 27 ALA HA 5.000 . 5.300 4.226 3.993 4.727 . 0 0 "[ . 1 .]" 2
123 1 5 TYR QD 1 27 ALA MB 5.000 . 5.300 4.498 4.262 4.785 . 0 0 "[ . 1 .]" 2
124 1 5 TYR QE 1 27 ALA MB 4.000 . 4.300 3.445 3.195 3.665 . 0 0 "[ . 1 .]" 2
125 1 5 TYR H 1 32 ILE MD 5.000 . 5.300 4.829 4.393 5.247 . 0 0 "[ . 1 .]" 2
126 1 5 TYR H 1 32 ILE MG 5.000 . 5.300 5.531 5.226 5.849 0.549 15 1 "[ . 1 +]" 2
127 1 5 TYR HB3 1 32 ILE MG 5.000 . 5.300 3.187 2.921 3.601 . 0 0 "[ . 1 .]" 2
128 1 5 TYR HB2 1 32 ILE MG 5.000 . 5.300 3.488 3.196 3.758 . 0 0 "[ . 1 .]" 2
129 1 5 TYR HB3 1 32 ILE MD 5.000 . 5.300 3.834 3.152 4.605 . 0 0 "[ . 1 .]" 2
130 1 5 TYR HB2 1 32 ILE MD 5.000 2.800 5.300 3.182 2.654 3.861 0.146 9 0 "[ . 1 .]" 2
131 1 5 TYR QD 1 32 ILE MG 4.000 . 4.300 3.328 2.990 3.690 . 0 0 "[ . 1 .]" 2
132 1 5 TYR QD 1 32 ILE MD 4.000 . 4.300 2.846 2.337 3.369 . 0 0 "[ . 1 .]" 2
133 1 5 TYR QE 1 32 ILE HB 5.000 . 5.300 4.963 4.695 5.409 0.109 15 0 "[ . 1 .]" 2
134 1 5 TYR QE 1 32 ILE MD 5.000 . 5.300 3.310 2.713 3.760 . 0 0 "[ . 1 .]" 2
135 1 5 TYR QD 1 50 VAL MG2 5.000 . 5.300 4.835 4.630 5.108 . 0 0 "[ . 1 .]" 2
136 1 5 TYR HA 1 99 VAL H 4.000 . 4.300 3.118 2.832 3.310 . 0 0 "[ . 1 .]" 2
137 1 5 TYR HA 1 99 VAL MG2 3.000 . 3.300 3.178 3.080 3.289 . 0 0 "[ . 1 .]" 2
138 1 5 TYR HB3 1 99 VAL MG2 5.000 . 5.300 4.893 4.677 5.001 . 0 0 "[ . 1 .]" 2
139 1 5 TYR QD 1 99 VAL MG2 3.000 . 3.300 3.431 3.137 3.745 0.445 5 0 "[ . 1 .]" 2
140 1 5 TYR H 1 99 VAL MG2 4.000 . 4.300 4.593 4.469 4.665 0.365 11 0 "[ . 1 .]" 2
141 1 5 TYR H 1 99 VAL HB 4.000 . 4.300 5.054 4.989 5.115 0.815 12 15 [***********+*-*] 2
142 1 5 TYR QD 1 99 VAL MG1 5.000 . 5.300 3.159 2.947 3.505 . 0 0 "[ . 1 .]" 2
143 1 5 TYR QE 1 99 VAL MG2 5.000 . 5.300 3.149 2.807 3.641 . 0 0 "[ . 1 .]" 2
144 1 5 TYR QE 1 99 VAL MG1 5.000 . 5.300 2.944 2.663 3.555 . 0 0 "[ . 1 .]" 2
145 1 6 VAL HA 1 7 SER H 3.000 . 3.300 2.126 2.103 2.138 . 0 0 "[ . 1 .]" 2
146 1 6 VAL HB 1 7 SER H 4.000 . 4.300 4.266 4.174 4.384 0.084 13 0 "[ . 1 .]" 2
147 1 6 VAL MG1 1 10 GLY HA2 4.000 . 4.300 3.231 3.097 3.388 . 0 0 "[ . 1 .]" 2
148 1 6 VAL MG2 1 10 GLY QA 5.000 . 5.300 5.405 5.094 5.578 0.278 10 0 "[ . 1 .]" 2
149 1 6 VAL MG1 1 10 GLY H 4.000 . 4.300 4.172 3.988 4.314 0.014 5 0 "[ . 1 .]" 2
150 1 6 VAL MG2 1 12 ARG HA 5.000 . 5.300 3.810 3.494 4.056 . 0 0 "[ . 1 .]" 2
151 1 6 VAL MG2 1 12 ARG QB 3.000 . 3.300 3.356 3.078 3.526 0.226 7 0 "[ . 1 .]" 2
152 1 6 VAL MG1 1 12 ARG QG 4.000 . 4.300 2.713 2.203 4.302 0.002 4 0 "[ . 1 .]" 2
153 1 6 VAL H 1 99 VAL H 4.000 . 4.300 3.611 3.294 3.851 . 0 0 "[ . 1 .]" 2
154 1 6 VAL MG2 1 99 VAL H 3.000 . 3.300 3.397 3.314 3.471 0.171 5 0 "[ . 1 .]" 2
155 1 6 VAL H 1 99 VAL MG2 4.000 . 4.300 4.423 4.191 4.537 0.237 11 0 "[ . 1 .]" 2
156 1 6 VAL H 1 100 ASP HA 3.000 . 3.300 3.033 2.793 3.314 0.014 12 0 "[ . 1 .]" 2
157 1 6 VAL HB 1 100 ASP HA 3.000 . 3.300 2.254 2.212 2.292 . 0 0 "[ . 1 .]" 2
158 1 6 VAL MG2 1 100 ASP HA 4.000 . 4.300 3.467 3.032 3.868 . 0 0 "[ . 1 .]" 2
159 1 6 VAL MG1 1 100 ASP HA 5.000 . 5.300 3.720 3.207 3.948 . 0 0 "[ . 1 .]" 2
160 1 6 VAL H 1 101 VAL H 4.000 . 4.300 3.617 3.392 4.034 . 0 0 "[ . 1 .]" 2
161 1 6 VAL HB 1 101 VAL H 4.000 . 4.300 3.415 3.257 3.643 . 0 0 "[ . 1 .]" 2
162 1 6 VAL HB 1 101 VAL MG2 5.000 . 5.300 4.428 4.055 4.671 . 0 0 "[ . 1 .]" 2
163 1 6 VAL MG1 1 101 VAL H 5.000 . 5.300 4.158 3.647 4.397 . 0 0 "[ . 1 .]" 2
164 1 6 VAL MG2 1 101 VAL H 5.000 . 5.300 4.689 4.343 5.067 . 0 0 "[ . 1 .]" 2
165 1 7 SER H 1 8 HIS H 4.000 . 4.300 4.514 4.483 4.552 0.252 9 0 "[ . 1 .]" 2
166 1 7 SER HA 1 8 HIS HD1 3.000 . 3.300 2.722 2.687 2.787 . 0 0 "[ . 1 .]" 2
167 1 7 SER QB 1 8 HIS HD1 4.000 . 4.300 3.329 3.056 3.543 . 0 0 "[ . 1 .]" 2
168 1 7 SER QB 1 8 HIS HD2 5.000 . 5.300 5.058 4.947 5.160 . 0 0 "[ . 1 .]" 2
169 1 7 SER H 1 8 HIS HD1 5.000 . 5.300 5.375 5.349 5.411 0.111 4 0 "[ . 1 .]" 2
170 1 7 SER QB 1 9 ASP H 4.000 . 4.300 3.087 2.767 3.326 . 0 0 "[ . 1 .]" 2
171 1 7 SER H 1 11 THR H 4.000 . 4.300 4.251 4.108 4.338 0.038 9 0 "[ . 1 .]" 2
172 1 7 SER H 1 11 THR HB 5.000 . 5.300 5.401 5.141 5.615 0.315 3 0 "[ . 1 .]" 2
173 1 7 SER HB2 1 11 THR MG 3.000 . 3.300 3.207 3.041 3.457 0.157 4 0 "[ . 1 .]" 2
174 1 7 SER H 1 12 ARG H 5.000 . 5.300 4.866 4.703 5.153 . 0 0 "[ . 1 .]" 2
175 1 7 SER H 1 12 ARG HA 4.000 . 4.300 3.049 2.841 3.311 . 0 0 "[ . 1 .]" 2
176 1 7 SER QB 1 13 ARG QH2 5.000 . 5.300 5.338 2.841 6.881 1.581 8 6 "[*- .**+ 1 *]" 2
177 1 7 SER H 1 100 ASP HA 5.000 . 5.300 5.572 5.479 5.675 0.375 8 0 "[ . 1 .]" 2
178 1 7 SER HA 1 101 VAL H 3.000 . 3.300 3.521 3.411 3.686 0.386 15 0 "[ . 1 .]" 2
179 1 7 SER HA 1 101 VAL HB 3.000 . 3.300 2.349 2.298 2.418 . 0 0 "[ . 1 .]" 2
180 1 7 SER HA 1 101 VAL MG2 5.000 . 5.300 3.254 2.826 3.587 . 0 0 "[ . 1 .]" 2
181 1 8 HIS HA 1 9 ASP H 4.000 . 4.300 3.553 3.523 3.569 . 0 0 "[ . 1 .]" 2
182 1 8 HIS QB 1 9 ASP H 5.000 . 5.300 2.926 2.859 2.995 . 0 0 "[ . 1 .]" 2
183 1 8 HIS HD1 1 9 ASP H 4.000 . 4.300 4.074 3.886 4.162 . 0 0 "[ . 1 .]" 2
184 1 8 HIS HB3 1 9 ASP HA 5.000 . 5.300 5.434 5.393 5.495 0.195 14 0 "[ . 1 .]" 2
185 1 8 HIS HA 1 10 GLY H 5.000 . 5.300 3.533 3.440 3.642 . 0 0 "[ . 1 .]" 2
186 1 8 HIS HD1 1 101 VAL MG1 5.000 . 5.300 2.986 2.818 3.259 . 0 0 "[ . 1 .]" 2
187 1 8 HIS HD1 1 101 VAL HB 5.000 . 5.300 2.615 2.255 3.182 . 0 0 "[ . 1 .]" 2
188 1 8 HIS HB2 1 102 PRO HA 5.000 . 5.300 4.951 4.475 5.366 0.066 15 0 "[ . 1 .]" 2
189 1 8 HIS HB3 1 103 ASP HA 4.000 . 4.300 3.059 2.733 3.271 . 0 0 "[ . 1 .]" 2
190 1 8 HIS HB2 1 103 ASP HA 4.000 . 4.300 3.491 3.425 3.556 . 0 0 "[ . 1 .]" 2
191 1 8 HIS HD2 1 103 ASP QB 5.000 . 5.300 3.671 3.214 4.166 . 0 0 "[ . 1 .]" 2
192 1 8 HIS QB 1 103 ASP H 5.000 . 5.300 3.246 2.877 3.503 . 0 0 "[ . 1 .]" 2
193 1 9 ASP H 1 10 GLY H 4.000 . 4.300 2.736 2.710 2.767 . 0 0 "[ . 1 .]" 2
194 1 9 ASP HA 1 10 GLY H 3.000 . 3.300 3.380 3.354 3.407 0.107 12 0 "[ . 1 .]" 2
195 1 9 ASP HB3 1 10 GLY H 5.000 . 5.300 4.474 4.392 4.524 . 0 0 "[ . 1 .]" 2
196 1 10 GLY H 1 11 THR H 3.000 . 3.300 2.576 2.486 2.672 . 0 0 "[ . 1 .]" 2
197 1 10 GLY HA3 1 11 THR H 4.000 . 4.300 3.191 3.161 3.224 . 0 0 "[ . 1 .]" 2
198 1 10 GLY HA2 1 11 THR H 4.000 . 4.300 3.417 3.390 3.448 . 0 0 "[ . 1 .]" 2
199 1 11 THR H 1 12 ARG H 4.000 . 4.300 4.548 4.523 4.585 0.285 4 0 "[ . 1 .]" 2
200 1 11 THR HA 1 12 ARG H 3.000 . 3.300 2.129 2.096 2.170 . 0 0 "[ . 1 .]" 2
201 1 11 THR HB 1 12 ARG H 4.000 2.800 4.300 4.401 4.315 4.479 0.179 1 0 "[ . 1 .]" 2
202 1 11 THR MG 1 12 ARG H 3.000 . 3.300 3.366 3.239 3.470 0.170 8 0 "[ . 1 .]" 2
203 1 11 THR MG 1 13 ARG HA 6.000 3.800 6.300 4.793 4.481 5.131 . 0 0 "[ . 1 .]" 2
204 1 12 ARG HA 1 13 ARG H 3.000 . 3.300 2.223 2.188 2.258 . 0 0 "[ . 1 .]" 2
205 1 12 ARG H 1 13 ARG H 5.000 . 5.300 4.558 4.523 4.593 . 0 0 "[ . 1 .]" 2
206 1 12 ARG QB 1 13 ARG H 5.000 . 5.300 3.083 2.927 3.274 . 0 0 "[ . 1 .]" 2
207 1 12 ARG QG 1 13 ARG H 5.000 . 5.300 4.379 4.052 4.883 . 0 0 "[ . 1 .]" 2
208 1 13 ARG HA 1 14 GLU H 3.000 . 3.300 2.214 2.167 2.269 . 0 0 "[ . 1 .]" 2
209 1 13 ARG HA 1 14 GLU QG 5.000 . 5.300 3.586 3.172 4.024 . 0 0 "[ . 1 .]" 2
210 1 13 ARG H 1 14 GLU HA 4.000 . 4.300 4.639 4.583 4.700 0.400 5 0 "[ . 1 .]" 2
211 1 13 ARG QB 1 14 GLU HA 4.000 . 4.300 4.409 4.295 4.532 0.232 11 0 "[ . 1 .]" 2
212 1 13 ARG QB 1 14 GLU H 3.000 . 3.300 3.705 3.311 3.832 0.532 15 2 "[ .- 1 +]" 2
213 1 13 ARG QG 1 14 GLU H 5.000 . 5.300 3.150 2.470 4.903 . 0 0 "[ . 1 .]" 2
214 1 13 ARG QB 1 32 ILE MD 5.000 . 5.300 2.526 2.037 3.161 . 0 0 "[ . 1 .]" 2
215 1 13 ARG HD3 1 32 ILE MD 5.000 . 5.300 3.786 2.301 4.821 . 0 0 "[ . 1 .]" 2
216 1 13 ARG HD2 1 32 ILE MD 5.000 . 5.300 3.542 2.068 4.704 . 0 0 "[ . 1 .]" 2
217 1 13 ARG QG 1 32 ILE MD 4.000 . 4.300 2.576 2.044 3.383 . 0 0 "[ . 1 .]" 2
218 1 13 ARG HE 1 32 ILE MD 5.000 . 5.300 4.068 2.878 4.817 . 0 0 "[ . 1 .]" 2
219 1 13 ARG QH1 1 32 ILE MG 4.000 . 4.300 3.420 1.704 5.019 0.719 5 2 "[ + 1 - .]" 2
220 1 13 ARG QH2 1 32 ILE MD 8.000 . 8.300 4.425 3.504 5.418 . 0 0 "[ . 1 .]" 2
221 1 14 GLU HA 1 15 LEU QB 5.000 . 5.300 4.777 3.841 4.939 . 0 0 "[ . 1 .]" 2
222 1 14 GLU H 1 15 LEU H 5.000 . 5.300 4.502 4.419 4.529 . 0 0 "[ . 1 .]" 2
223 1 14 GLU HA 1 15 LEU H 3.000 . 3.300 2.239 2.107 2.275 . 0 0 "[ . 1 .]" 2
224 1 14 GLU HA 1 15 LEU HG 5.000 . 5.300 3.743 3.473 6.000 0.700 8 1 "[ . + 1 .]" 2
225 1 14 GLU QB 1 15 LEU H 5.000 . 5.300 3.188 3.087 3.348 . 0 0 "[ . 1 .]" 2
226 1 14 GLU QG 1 15 LEU H 5.000 . 5.300 4.508 4.442 4.590 . 0 0 "[ . 1 .]" 2
227 1 15 LEU H 1 16 ASP H 5.000 . 5.300 4.442 4.415 4.498 . 0 0 "[ . 1 .]" 2
228 1 15 LEU HA 1 16 ASP H 3.000 . 3.300 2.379 2.270 2.442 . 0 0 "[ . 1 .]" 2
229 1 15 LEU HB3 1 16 ASP H 4.000 . 4.300 2.559 2.191 2.995 . 0 0 "[ . 1 .]" 2
230 1 15 LEU HB2 1 16 ASP H 4.000 . 4.300 2.900 2.574 4.073 . 0 0 "[ . 1 .]" 2
231 1 15 LEU MD2 1 16 ASP H 5.000 2.800 5.300 3.992 3.156 4.189 . 0 0 "[ . 1 .]" 2
232 1 15 LEU MD1 1 16 ASP H 5.000 . 5.300 4.276 4.101 4.407 . 0 0 "[ . 1 .]" 2
233 1 15 LEU HG 1 16 ASP H 5.000 . 5.300 4.554 2.547 4.809 . 0 0 "[ . 1 .]" 2
234 1 15 LEU HG 1 17 VAL H 5.000 . 5.300 6.282 5.991 6.702 1.402 14 15 [*******-*****+*] 2
235 1 15 LEU MD1 1 17 VAL MG2 6.000 . 6.300 2.892 2.723 4.120 . 0 0 "[ . 1 .]" 2
236 1 15 LEU HG 1 26 ALA MB 5.000 . 5.300 4.375 4.031 4.801 . 0 0 "[ . 1 .]" 2
237 1 15 LEU MD1 1 26 ALA MB 5.000 . 5.300 2.401 2.061 3.920 . 0 0 "[ . 1 .]" 2
238 1 15 LEU MD1 1 27 ALA HA 4.000 . 4.300 2.482 2.321 3.215 . 0 0 "[ . 1 .]" 2
239 1 15 LEU MD2 1 27 ALA HA 5.000 . 5.300 4.046 2.898 4.359 . 0 0 "[ . 1 .]" 2
240 1 15 LEU MD1 1 28 VAL H 5.000 . 5.300 5.201 5.032 6.043 0.743 8 1 "[ . + 1 .]" 2
241 1 15 LEU MD1 1 30 ASN HD22 4.000 . 4.300 3.109 2.865 3.739 . 0 0 "[ . 1 .]" 2
242 1 15 LEU MD1 1 30 ASN HD21 4.000 . 4.300 2.761 2.529 3.655 . 0 0 "[ . 1 .]" 2
243 1 15 LEU MD1 1 30 ASN H 4.000 . 4.300 3.820 3.614 4.331 0.031 8 0 "[ . 1 .]" 2
244 1 15 LEU MD2 1 30 ASN H 4.000 . 4.300 4.671 4.101 4.812 0.512 13 1 "[ . 1 + .]" 2
245 1 15 LEU MD1 1 30 ASN HB3 4.000 . 4.300 3.162 2.431 3.376 . 0 0 "[ . 1 .]" 2
246 1 15 LEU MD1 1 30 ASN HB2 5.000 . 5.300 2.291 2.215 2.444 . 0 0 "[ . 1 .]" 2
247 1 15 LEU MD2 1 30 ASN HB3 4.000 . 4.300 2.391 2.245 3.861 . 0 0 "[ . 1 .]" 2
248 1 15 LEU MD2 1 30 ASN HB2 5.000 . 5.300 2.642 2.536 2.881 . 0 0 "[ . 1 .]" 2
249 1 15 LEU MD2 1 30 ASN HD21 4.000 . 4.300 3.755 2.845 3.945 . 0 0 "[ . 1 .]" 2
250 1 15 LEU HA 1 32 ILE MD 5.000 . 5.300 5.247 4.895 5.452 0.152 1 0 "[ . 1 .]" 2
251 1 15 LEU HG 1 32 ILE MD 4.000 . 4.300 3.389 3.019 4.027 . 0 0 "[ . 1 .]" 2
252 1 15 LEU MD1 1 32 ILE MD 3.000 . 3.300 1.994 1.781 2.130 0.019 8 0 "[ . 1 .]" 2
253 1 15 LEU MD2 1 32 ILE MD 3.000 . 3.300 2.048 1.827 3.085 . 0 0 "[ . 1 .]" 2
254 1 15 LEU HB2 1 32 ILE MD 5.000 . 5.300 4.686 3.792 4.959 . 0 0 "[ . 1 .]" 2
255 1 16 ASP H 1 17 VAL H 5.000 . 5.300 4.258 4.147 4.311 . 0 0 "[ . 1 .]" 2
256 1 16 ASP HA 1 17 VAL H 3.000 . 3.300 2.252 2.229 2.271 . 0 0 "[ . 1 .]" 2
257 1 16 ASP HB3 1 17 VAL H 5.000 . 5.300 4.060 3.666 4.344 . 0 0 "[ . 1 .]" 2
258 1 16 ASP HB2 1 17 VAL H 5.000 . 5.300 4.486 3.709 4.609 . 0 0 "[ . 1 .]" 2
259 1 17 VAL H 1 18 ALA H 5.000 . 5.300 4.340 4.295 4.365 . 0 0 "[ . 1 .]" 2
260 1 17 VAL HA 1 18 ALA H 3.000 . 3.300 2.162 2.138 2.189 . 0 0 "[ . 1 .]" 2
261 1 17 VAL HB 1 18 ALA H 4.000 . 4.300 4.211 4.109 4.299 . 0 0 "[ . 1 .]" 2
262 1 17 VAL HA 1 18 ALA MB 5.000 . 5.300 3.994 3.962 4.022 . 0 0 "[ . 1 .]" 2
263 1 17 VAL MG1 1 18 ALA H 3.000 . 3.300 2.881 2.748 2.966 . 0 0 "[ . 1 .]" 2
264 1 17 VAL MG2 1 18 ALA H 5.000 . 5.300 4.211 4.140 4.340 . 0 0 "[ . 1 .]" 2
265 1 17 VAL HA 1 21 VAL QG 3.000 . 3.300 3.393 3.300 3.537 0.237 3 0 "[ . 1 .]" 2
266 1 17 VAL HB 1 21 VAL QG 4.000 . 4.300 4.268 4.019 4.397 0.097 11 0 "[ . 1 .]" 2
267 1 17 VAL MG1 1 21 VAL H 4.000 . 4.300 3.636 3.507 3.827 . 0 0 "[ . 1 .]" 2
268 1 17 VAL MG1 1 21 VAL HB 4.000 . 4.300 1.966 1.945 1.997 . 0 0 "[ . 1 .]" 2
269 1 17 VAL HA 1 23 LEU MD2 5.000 . 5.500 5.461 5.053 5.599 0.099 10 0 "[ . 1 .]" 2
270 1 17 VAL HB 1 23 LEU HA 5.000 . 5.500 4.721 4.481 5.065 . 0 0 "[ . 1 .]" 2
271 1 17 VAL MG2 1 23 LEU HA 4.000 . 4.300 3.045 2.843 3.202 . 0 0 "[ . 1 .]" 2
272 1 17 VAL MG1 1 26 ALA H 3.000 . 3.300 3.079 2.633 3.315 0.015 11 0 "[ . 1 .]" 2
273 1 17 VAL MG2 1 26 ALA MB 4.000 . 4.300 1.974 1.919 2.103 . 0 0 "[ . 1 .]" 2
274 1 17 VAL MG2 1 26 ALA HA 5.000 . 5.300 4.371 4.239 4.537 . 0 0 "[ . 1 .]" 2
275 1 17 VAL MG1 1 26 ALA MB 4.000 . 4.300 2.153 1.934 2.287 . 0 0 "[ . 1 .]" 2
276 1 17 VAL H 1 26 ALA MB 5.000 . 5.300 4.603 4.360 4.759 . 0 0 "[ . 1 .]" 2
277 1 17 VAL HB 1 90 MET HA 4.000 . 4.300 5.031 4.812 5.137 0.837 3 15 [**+******-*****] 2
278 1 17 VAL HB 1 90 MET QB 3.000 . 3.300 2.401 2.161 2.558 . 0 0 "[ . 1 .]" 2
279 1 17 VAL HB 1 90 MET QG 4.000 . 4.300 2.298 2.216 2.371 . 0 0 "[ . 1 .]" 2
280 1 17 VAL H 1 90 MET ME 6.000 . 6.300 6.055 5.854 6.292 . 0 0 "[ . 1 .]" 2
281 1 17 VAL MG1 1 90 MET QB 6.000 . 6.300 2.292 2.152 2.512 . 0 0 "[ . 1 .]" 2
282 1 17 VAL MG2 1 90 MET QG 5.000 . 5.300 3.320 2.936 3.564 . 0 0 "[ . 1 .]" 2
283 1 18 ALA H 1 19 ASP H 5.000 . 5.300 4.624 4.599 4.644 . 0 0 "[ . 1 .]" 2
284 1 18 ALA HA 1 19 ASP H 3.000 . 3.300 2.335 2.283 2.398 . 0 0 "[ . 1 .]" 2
285 1 18 ALA MB 1 19 ASP H 3.000 . 3.300 2.524 2.364 2.659 . 0 0 "[ . 1 .]" 2
286 1 18 ALA MB 1 19 ASP HB2 5.000 . 5.300 5.192 5.104 5.279 . 0 0 "[ . 1 .]" 2
287 1 18 ALA H 1 21 VAL HB 5.000 . 5.300 3.430 3.247 3.695 . 0 0 "[ . 1 .]" 2
288 1 18 ALA H 1 21 VAL QG 3.000 . 3.300 2.388 2.242 2.526 . 0 0 "[ . 1 .]" 2
289 1 18 ALA MB 1 21 VAL QG 4.000 . 4.300 2.027 1.964 2.131 . 0 0 "[ . 1 .]" 2
290 1 18 ALA MB 1 21 VAL H 4.000 . 4.300 4.036 3.948 4.148 . 0 0 "[ . 1 .]" 2
291 1 18 ALA H 1 26 ALA MB 5.000 . 5.300 4.103 3.953 4.276 . 0 0 "[ . 1 .]" 2
292 1 18 ALA H 1 90 MET QG 6.000 . 6.300 5.761 5.542 5.943 . 0 0 "[ . 1 .]" 2
293 1 19 ASP H 1 20 GLY H 4.000 . 4.300 4.564 4.538 4.584 0.284 13 0 "[ . 1 .]" 2
294 1 19 ASP HA 1 20 GLY H 3.000 . 3.300 2.132 2.097 2.162 . 0 0 "[ . 1 .]" 2
295 1 19 ASP QB 1 20 GLY H 4.000 . 4.300 2.933 2.854 2.989 . 0 0 "[ . 1 .]" 2
296 1 19 ASP HA 1 21 VAL H 4.000 . 4.300 3.370 3.307 3.435 . 0 0 "[ . 1 .]" 2
297 1 19 ASP HA 1 89 ILE MG 3.000 . 3.300 3.771 3.598 3.916 0.616 12 5 "[* - * * 1 + .]" 2
298 1 19 ASP HA 1 90 MET QB 5.000 . 5.300 3.871 3.646 4.158 . 0 0 "[ . 1 .]" 2
299 1 19 ASP HA 1 91 THR MG 5.000 . 5.300 3.172 2.949 3.950 . 0 0 "[ . 1 .]" 2
300 1 19 ASP HA 1 91 THR H 5.000 . 5.300 4.669 4.525 4.828 . 0 0 "[ . 1 .]" 2
301 1 19 ASP HB3 1 91 THR HA 5.000 . 5.300 3.085 2.923 3.266 . 0 0 "[ . 1 .]" 2
302 1 19 ASP HB2 1 91 THR HA 5.000 . 5.300 3.719 3.478 3.974 . 0 0 "[ . 1 .]" 2
303 1 19 ASP H 1 92 PRO HG3 5.000 . 5.300 5.206 4.826 5.469 0.169 13 0 "[ . 1 .]" 2
304 1 19 ASP QB 1 92 PRO HD3 5.000 . 5.300 2.318 2.265 2.517 . 0 0 "[ . 1 .]" 2
305 1 20 GLY HA3 1 21 VAL HA 4.000 . 4.300 4.467 4.457 4.478 0.178 11 0 "[ . 1 .]" 2
306 1 20 GLY HA3 1 21 VAL H 4.000 . 4.300 3.368 3.347 3.388 . 0 0 "[ . 1 .]" 2
307 1 20 GLY HA2 1 21 VAL H 4.000 . 4.300 3.400 3.358 3.436 . 0 0 "[ . 1 .]" 2
308 1 20 GLY H 1 89 ILE MG . . 3.300 2.206 1.967 2.391 . 0 0 "[ . 1 .]" 2
309 1 20 GLY H 1 21 VAL H 3.000 . 3.300 2.733 2.711 2.758 . 0 0 "[ . 1 .]" 2
310 1 20 GLY HA2 1 89 ILE MG 4.000 . 4.300 2.031 2.000 2.058 . 0 0 "[ . 1 .]" 2
311 1 20 GLY H 1 90 MET H 5.000 . 5.300 4.196 4.052 4.412 . 0 0 "[ . 1 .]" 2
312 1 20 GLY H 1 90 MET QB 5.000 . 5.300 4.468 4.243 4.662 . 0 0 "[ . 1 .]" 2
313 1 20 GLY H 1 91 THR HB 5.000 3.000 5.300 5.478 5.303 5.575 0.275 9 0 "[ . 1 .]" 2
314 1 20 GLY H 1 91 THR MG 6.000 3.000 6.300 3.050 2.836 3.716 0.164 10 0 "[ . 1 .]" 2
315 1 21 VAL HA 1 22 SER H 3.000 . 3.300 2.313 2.284 2.339 . 0 0 "[ . 1 .]" 2
316 1 21 VAL HB 1 22 SER H 4.000 . 4.300 3.830 3.786 3.861 . 0 0 "[ . 1 .]" 2
317 1 21 VAL QG 1 22 SER H 3.000 . 3.300 2.175 2.078 2.247 . 0 0 "[ . 1 .]" 2
318 1 21 VAL HA 1 25 GLN QG 5.000 . 5.300 4.376 3.840 5.155 . 0 0 "[ . 1 .]" 2
319 1 21 VAL QG 1 25 GLN QB 5.000 . 5.300 1.924 1.833 2.017 . 0 0 "[ . 1 .]" 2
320 1 21 VAL HB 1 26 ALA MB 5.000 . 5.300 4.207 4.039 4.369 . 0 0 "[ . 1 .]" 2
321 1 21 VAL QG 1 26 ALA MB 3.000 . 3.300 2.768 2.619 3.047 . 0 0 "[ . 1 .]" 2
322 1 21 VAL QG 1 26 ALA H 4.000 . 4.300 2.604 2.501 2.707 . 0 0 "[ . 1 .]" 2
323 1 21 VAL HB 1 26 ALA H 4.000 . 4.300 4.859 4.774 4.960 0.660 9 14 "[***-****+** ***]" 2
324 1 21 VAL H 1 89 ILE MG 5.000 . 5.300 3.281 3.073 3.492 . 0 0 "[ . 1 .]" 2
325 1 21 VAL H 1 90 MET H 3.000 . 3.300 3.654 3.491 3.815 0.515 1 1 "[+ . 1 .]" 2
326 1 21 VAL H 1 90 MET QB 5.000 . 5.300 3.883 3.679 4.020 . 0 0 "[ . 1 .]" 2
327 1 22 SER HA 1 23 LEU H 4.000 . 4.300 2.259 2.236 2.285 . 0 0 "[ . 1 .]" 2
328 1 22 SER HA 1 23 LEU MD2 5.000 . 5.300 4.837 3.273 5.339 0.039 6 0 "[ . 1 .]" 2
329 1 22 SER QB 1 23 LEU H 4.000 . 4.300 3.084 2.933 3.458 . 0 0 "[ . 1 .]" 2
330 1 22 SER H 1 25 GLN QB 5.000 . 5.300 2.374 2.258 2.493 . 0 0 "[ . 1 .]" 2
331 1 22 SER H 1 26 ALA H 4.000 . 4.300 4.470 4.400 4.553 0.253 10 0 "[ . 1 .]" 2
332 1 22 SER HA 1 26 ALA H 5.000 . 5.300 5.561 5.507 5.660 0.360 4 0 "[ . 1 .]" 2
333 1 22 SER HA 1 88 ILE H 5.000 . 5.300 4.212 3.866 4.474 . 0 0 "[ . 1 .]" 2
334 1 22 SER HA 1 89 ILE HA 3.000 . 3.300 2.769 2.569 3.023 . 0 0 "[ . 1 .]" 2
335 1 22 SER HA 1 89 ILE H 4.000 . 4.300 4.872 4.731 4.950 0.650 6 14 "[**-**+**** ****]" 2
336 1 22 SER H 1 89 ILE MD 4.000 . 4.300 4.112 3.788 4.353 0.053 13 0 "[ . 1 .]" 2
337 1 22 SER HA 1 89 ILE MD 4.000 . 4.300 2.868 2.696 3.016 . 0 0 "[ . 1 .]" 2
338 1 22 SER HA 1 89 ILE MG 5.000 . 5.300 4.586 4.059 5.064 . 0 0 "[ . 1 .]" 2
339 1 22 SER HB2 1 89 ILE MD 5.000 . 5.300 3.769 3.258 4.125 . 0 0 "[ . 1 .]" 2
340 1 22 SER HA 1 90 MET H 4.000 . 4.300 3.557 3.187 4.002 . 0 0 "[ . 1 .]" 2
341 1 22 SER HA 1 90 MET QB 5.000 . 5.300 4.643 4.208 5.130 . 0 0 "[ . 1 .]" 2
342 1 23 LEU QB 1 24 MET HB3 4.000 . 4.300 4.668 4.350 4.825 0.525 15 3 "[ * . - 1 +]" 2
343 1 23 LEU HA 1 25 GLN H 4.000 . 4.300 4.190 3.686 4.402 0.102 15 0 "[ . 1 .]" 2
344 1 23 LEU HA 1 26 ALA MB 4.000 . 4.300 3.280 3.109 3.581 . 0 0 "[ . 1 .]" 2
345 1 23 LEU H 1 89 ILE HA 4.000 . 4.300 4.139 3.963 4.300 . 0 0 "[ . 1 .]" 2
346 1 23 LEU H 1 90 MET H 4.000 . 4.300 4.203 4.014 4.402 0.102 13 0 "[ . 1 .]" 2
347 1 25 GLN HA 1 26 ALA H 4.000 . 4.300 3.626 3.604 3.646 . 0 0 "[ . 1 .]" 2
348 1 25 GLN QB 1 26 ALA H 4.000 . 4.300 2.441 2.048 2.535 . 0 0 "[ . 1 .]" 2
349 1 25 GLN HA 1 28 VAL H 4.000 . 4.300 3.967 3.744 4.243 . 0 0 "[ . 1 .]" 2
350 1 26 ALA H 1 27 ALA H 3.000 . 3.300 2.735 2.695 2.797 . 0 0 "[ . 1 .]" 2
351 1 26 ALA HA 1 27 ALA H 4.000 . 4.300 3.530 3.497 3.562 . 0 0 "[ . 1 .]" 2
352 1 26 ALA MB 1 27 ALA H 4.000 . 4.300 2.874 2.834 2.927 . 0 0 "[ . 1 .]" 2
353 1 26 ALA HA 1 28 VAL H 5.000 . 5.300 4.715 4.161 5.057 . 0 0 "[ . 1 .]" 2
354 1 26 ALA HA 1 29 SER H 4.000 . 4.300 3.499 3.281 3.642 . 0 0 "[ . 1 .]" 2
355 1 26 ALA HA 1 29 SER QB 4.000 . 4.300 2.570 2.350 2.828 . 0 0 "[ . 1 .]" 2
356 1 26 ALA HA 1 30 ASN H 4.000 . 4.300 4.635 4.502 4.763 0.463 13 0 "[ . 1 .]" 2
357 1 26 ALA HA 1 30 ASN QD 4.000 . 4.300 3.354 3.117 3.582 . 0 0 "[ . 1 .]" 2
358 1 26 ALA MB 1 30 ASN QD 4.000 . 4.300 3.042 2.898 3.428 . 0 0 "[ . 1 .]" 2
359 1 27 ALA H 1 28 VAL H 3.000 . 3.300 2.782 2.619 2.915 . 0 0 "[ . 1 .]" 2
360 1 27 ALA HA 1 28 VAL H 5.000 . 5.300 3.581 3.535 3.621 . 0 0 "[ . 1 .]" 2
361 1 27 ALA MB 1 28 VAL H 4.000 . 4.300 2.342 1.973 2.771 . 0 0 "[ . 1 .]" 2
362 1 27 ALA HA 1 29 SER H 5.000 . 5.300 3.844 3.700 4.000 . 0 0 "[ . 1 .]" 2
363 1 27 ALA HA 1 30 ASN H 5.000 . 5.300 3.248 3.059 3.453 . 0 0 "[ . 1 .]" 2
364 1 27 ALA HA 1 30 ASN HB3 5.000 . 5.300 4.390 4.160 4.670 . 0 0 "[ . 1 .]" 2
365 1 27 ALA HA 1 30 ASN HB2 5.000 . 5.300 2.761 2.536 2.996 . 0 0 "[ . 1 .]" 2
366 1 27 ALA HA 1 30 ASN QD 5.000 . 5.300 3.791 3.581 4.058 . 0 0 "[ . 1 .]" 2
367 1 27 ALA HA 1 31 GLY H 5.000 . 5.300 4.874 4.496 5.287 . 0 0 "[ . 1 .]" 2
368 1 27 ALA HA 1 32 ILE H 4.000 . 4.300 3.752 3.437 4.059 . 0 0 "[ . 1 .]" 2
369 1 27 ALA HA 1 32 ILE HB 4.000 . 4.300 2.707 2.405 2.993 . 0 0 "[ . 1 .]" 2
370 1 27 ALA HA 1 32 ILE MG 5.000 . 5.300 3.929 3.719 4.170 . 0 0 "[ . 1 .]" 2
371 1 27 ALA H 1 32 ILE MG 5.000 . 5.300 5.709 5.513 6.090 0.790 2 4 "[ + . * * -.]" 2
372 1 27 ALA HA 1 32 ILE MD 3.000 . 3.300 2.598 2.278 3.136 . 0 0 "[ . 1 .]" 2
373 1 27 ALA MB 1 32 ILE H 5.000 . 5.300 3.443 3.140 3.791 . 0 0 "[ . 1 .]" 2
374 1 27 ALA MB 1 32 ILE HA 5.000 . 5.300 4.560 4.328 4.724 . 0 0 "[ . 1 .]" 2
375 1 27 ALA MB 1 32 ILE MG 4.000 . 4.300 2.909 2.596 3.412 . 0 0 "[ . 1 .]" 2
376 1 27 ALA MB 1 32 ILE MD 4.000 . 4.300 3.152 2.726 3.519 . 0 0 "[ . 1 .]" 2
377 1 28 VAL H 1 29 SER H 3.000 . 3.300 2.716 2.451 2.847 . 0 0 "[ . 1 .]" 2
378 1 28 VAL HB 1 29 SER H 4.000 . 4.300 3.081 3.029 3.147 . 0 0 "[ . 1 .]" 2
379 1 28 VAL MG1 1 29 SER H 4.000 . 4.300 3.650 3.509 3.750 . 0 0 "[ . 1 .]" 2
380 1 28 VAL MG2 1 29 SER H 5.000 . 5.300 4.083 3.981 4.172 . 0 0 "[ . 1 .]" 2
381 1 28 VAL H 1 30 ASN H 5.000 . 5.300 4.131 3.916 4.291 . 0 0 "[ . 1 .]" 2
382 1 28 VAL H 1 30 ASN QD 5.000 . 5.300 5.335 5.041 5.487 0.187 12 0 "[ . 1 .]" 2
383 1 28 VAL HA 1 32 ILE HB 5.000 . 5.300 4.989 4.461 5.353 0.053 12 0 "[ . 1 .]" 2
384 1 28 VAL HA 1 32 ILE H 5.000 . 5.300 3.362 2.923 3.797 . 0 0 "[ . 1 .]" 2
385 1 29 SER H 1 30 ASN H 3.000 . 3.300 2.285 2.233 2.331 . 0 0 "[ . 1 .]" 2
386 1 29 SER HA 1 30 ASN H 4.000 . 4.300 3.441 3.392 3.491 . 0 0 "[ . 1 .]" 2
387 1 29 SER QB 1 30 ASN H 3.000 . 3.300 3.293 3.250 3.335 0.035 8 0 "[ . 1 .]" 2
388 1 29 SER QB 1 30 ASN QD 3.000 . 3.300 3.024 2.886 3.238 . 0 0 "[ . 1 .]" 2
389 1 29 SER H 1 31 GLY H 5.000 . 5.300 3.841 3.657 3.969 . 0 0 "[ . 1 .]" 2
390 1 29 SER HA 1 31 GLY H 4.000 . 4.300 3.708 3.559 3.857 . 0 0 "[ . 1 .]" 2
391 1 29 SER QB 1 31 GLY H 4.000 . 4.300 4.746 4.700 4.814 0.514 8 1 "[ . + 1 .]" 2
392 1 30 ASN HA 1 31 GLY H 3.000 . 3.300 3.191 3.127 3.249 . 0 0 "[ . 1 .]" 2
393 1 30 ASN H 1 31 GLY H 3.000 . 3.300 2.370 2.226 2.509 . 0 0 "[ . 1 .]" 2
394 1 30 ASN HB3 1 31 GLY H 5.000 . 5.300 4.325 4.280 4.399 . 0 0 "[ . 1 .]" 2
395 1 30 ASN HB2 1 31 GLY H 5.000 . 5.300 3.834 3.723 3.922 . 0 0 "[ . 1 .]" 2
396 1 30 ASN H 1 32 ILE H 4.000 . 4.300 3.558 3.369 3.766 . 0 0 "[ . 1 .]" 2
397 1 30 ASN H 1 32 ILE MD 5.000 . 5.300 4.208 3.919 4.697 . 0 0 "[ . 1 .]" 2
398 1 30 ASN H 1 32 ILE QG 4.000 . 4.300 3.946 3.366 4.514 0.214 12 0 "[ . 1 .]" 2
399 1 30 ASN HB2 1 32 ILE H 5.000 . 5.300 3.946 3.703 4.239 . 0 0 "[ . 1 .]" 2
400 1 30 ASN HB2 1 32 ILE MD 5.000 . 5.300 2.431 2.195 2.941 . 0 0 "[ . 1 .]" 2
401 1 30 ASN QD 1 32 ILE MD 5.000 . 5.300 4.171 3.931 4.524 . 0 0 "[ . 1 .]" 2
402 1 31 GLY H 1 32 ILE H 3.000 . 3.300 2.852 2.683 3.092 . 0 0 "[ . 1 .]" 2
403 1 31 GLY H 1 32 ILE HB 5.000 . 5.300 5.021 4.749 5.399 0.099 7 0 "[ . 1 .]" 2
404 1 31 GLY HA3 1 32 ILE H 4.000 . 4.300 3.582 3.522 3.626 . 0 0 "[ . 1 .]" 2
405 1 31 GLY HA2 1 32 ILE H 4.000 . 4.300 2.856 2.681 2.964 . 0 0 "[ . 1 .]" 2
406 1 31 GLY HA2 1 33 TYR H 5.000 . 5.300 4.603 4.098 5.061 . 0 0 "[ . 1 .]" 2
407 1 32 ILE H 1 33 TYR H 4.000 . 4.300 2.303 2.036 2.598 . 0 0 "[ . 1 .]" 2
408 1 32 ILE HA 1 33 TYR H 3.000 . 3.300 3.559 3.475 3.609 0.309 13 0 "[ . 1 .]" 2
409 1 32 ILE HA 1 33 TYR QD 5.000 . 5.300 5.439 4.272 6.007 0.707 4 3 "[- +. * .]" 2
410 1 32 ILE HB 1 33 TYR H 3.000 . 3.300 2.489 2.120 2.901 . 0 0 "[ . 1 .]" 2
411 1 32 ILE MG 1 33 TYR H 4.000 . 4.300 3.335 2.777 3.796 . 0 0 "[ . 1 .]" 2
412 1 32 ILE MG 1 33 TYR QD 4.000 . 4.300 3.162 2.165 4.328 0.028 10 0 "[ . 1 .]" 2
413 1 32 ILE MD 1 33 TYR H 5.000 . 5.300 4.393 4.117 4.867 . 0 0 "[ . 1 .]" 2
414 1 32 ILE HA 1 34 ASP H 5.000 . 5.300 3.877 3.353 4.342 . 0 0 "[ . 1 .]" 2
415 1 32 ILE MG 1 34 ASP H 5.000 . 5.300 4.558 4.226 4.932 . 0 0 "[ . 1 .]" 2
416 1 33 TYR H 1 34 ASP H 3.000 . 3.300 2.734 2.318 3.071 . 0 0 "[ . 1 .]" 2
417 1 33 TYR HA 1 34 ASP H 5.000 . 5.300 3.252 3.103 3.367 . 0 0 "[ . 1 .]" 2
418 1 33 TYR HA 1 35 ILE H 5.000 . 5.300 4.570 3.229 5.544 0.244 6 0 "[ . 1 .]" 2
419 1 34 ASP H 1 35 ILE H 3.000 . 3.300 3.443 2.826 3.804 0.504 9 1 "[ . +1 .]" 2
420 1 34 ASP HA 1 35 ILE H 4.000 . 4.300 3.048 2.225 3.563 . 0 0 "[ . 1 .]" 2
421 1 34 ASP QB 1 35 ILE H 5.000 . 5.300 2.970 1.981 3.973 0.019 13 0 "[ . 1 .]" 2
422 1 49 HIS HE1 1 51 TYR QE 3.000 . 3.300 2.763 2.435 2.954 . 0 0 "[ . 1 .]" 2
423 1 49 HIS HE1 1 51 TYR QD 4.000 . 4.300 4.474 4.404 4.659 0.359 10 0 "[ . 1 .]" 2
424 1 49 HIS HD1 1 51 TYR QD 5.000 . 5.300 5.527 5.354 5.643 0.343 5 0 "[ . 1 .]" 2
425 1 49 HIS HD1 1 51 TYR QE 5.000 . 5.300 4.508 4.141 4.639 . 0 0 "[ . 1 .]" 2
426 1 49 HIS HD1 1 74 VAL HA 5.000 . 5.300 5.537 5.352 5.758 0.458 2 0 "[ . 1 .]" 2
427 1 49 HIS HD1 1 74 VAL MG2 4.000 . 4.300 3.149 2.338 3.626 . 0 0 "[ . 1 .]" 2
428 1 49 HIS HD1 1 74 VAL MG1 5.000 . 5.300 2.377 2.116 2.569 . 0 0 "[ . 1 .]" 2
429 1 49 HIS HD1 1 74 VAL HB 4.000 . 4.300 3.544 3.301 3.685 . 0 0 "[ . 1 .]" 2
430 1 49 HIS HE1 1 74 VAL MG1 4.000 . 4.300 3.977 3.368 4.380 0.080 14 0 "[ . 1 .]" 2
431 1 49 HIS HE1 1 74 VAL MG2 5.000 . 5.300 3.131 2.537 3.701 . 0 0 "[ . 1 .]" 2
432 1 49 HIS HD1 1 76 ALA H 5.000 . 5.300 5.315 4.825 5.466 0.166 4 0 "[ . 1 .]" 2
433 1 49 HIS HE1 1 76 ALA H 5.000 . 5.300 4.920 4.690 5.097 . 0 0 "[ . 1 .]" 2
434 1 49 HIS HE1 1 76 ALA MB 4.000 . 4.300 3.667 3.277 3.933 . 0 0 "[ . 1 .]" 2
435 1 49 HIS HD1 1 76 ALA MB 5.000 . 5.300 4.769 4.231 5.103 . 0 0 "[ . 1 .]" 2
436 1 49 HIS HD2 1 76 ALA MB 5.000 . 5.300 2.414 2.271 2.937 . 0 0 "[ . 1 .]" 2
437 1 49 HIS HE1 1 77 GLU H 5.000 . 5.300 5.204 4.965 5.465 0.165 3 0 "[ . 1 .]" 2
438 1 49 HIS HE1 1 77 GLU QB 5.000 . 5.300 5.750 5.566 5.951 0.651 8 4 "[ -*.* + 1 .]" 2
439 1 49 HIS HE1 1 77 GLU QG 5.000 . 5.300 5.045 4.678 5.443 0.143 10 0 "[ . 1 .]" 2
440 1 49 HIS HE1 1 78 LEU HA 4.000 . 4.300 2.735 2.336 3.133 . 0 0 "[ . 1 .]" 2
441 1 49 HIS HE1 1 78 LEU MD1 5.000 . 5.300 2.672 2.326 3.568 . 0 0 "[ . 1 .]" 2
442 1 49 HIS HE1 1 78 LEU HG 4.000 . 4.300 4.324 4.085 4.494 0.194 14 0 "[ . 1 .]" 2
443 1 49 HIS HE1 1 82 SER HB3 4.000 . 4.300 4.271 3.641 4.507 0.207 14 0 "[ . 1 .]" 2
444 1 49 HIS HE1 1 82 SER HG 3.000 . 3.300 2.760 2.384 3.204 . 0 0 "[ . 1 .]" 2
445 1 49 HIS HE1 1 102 PRO HB3 5.000 . 5.300 5.700 5.271 5.849 0.549 14 3 "[ * - 1 +.]" 2
446 1 49 HIS HD2 1 102 PRO QD 5.000 . 5.300 3.688 2.885 4.111 . 0 0 "[ . 1 .]" 2
447 1 49 HIS HB3 1 105 GLN HA 3.000 . 3.300 2.273 2.230 2.334 . 0 0 "[ . 1 .]" 2
448 1 50 VAL HA 1 51 TYR H 3.000 . 3.300 2.552 2.525 2.587 . 0 0 "[ . 1 .]" 2
449 1 50 VAL H 1 51 TYR HA 5.000 . 5.300 4.714 4.670 4.730 . 0 0 "[ . 1 .]" 2
450 1 50 VAL HA 1 51 TYR QD 4.000 . 4.300 3.516 3.135 4.050 . 0 0 "[ . 1 .]" 2
451 1 50 VAL HB 1 51 TYR H 3.000 . 3.300 2.532 2.408 2.614 . 0 0 "[ . 1 .]" 2
452 1 50 VAL MG2 1 51 TYR H 4.000 . 4.300 2.470 2.314 2.661 . 0 0 "[ . 1 .]" 2
453 1 50 VAL MG2 1 51 TYR HA 5.000 . 5.300 3.455 3.376 3.568 . 0 0 "[ . 1 .]" 2
454 1 50 VAL MG2 1 51 TYR QD 5.000 . 5.300 4.639 4.513 4.797 . 0 0 "[ . 1 .]" 2
455 1 50 VAL MG2 1 82 SER HA 5.000 . 5.300 5.104 4.885 5.370 0.070 8 0 "[ . 1 .]" 2
456 1 50 VAL H 1 83 ARG H 3.000 . 3.300 3.752 3.547 3.882 0.582 1 6 "[+ .* -*** .]" 2
457 1 50 VAL HB 1 100 ASP H 4.000 . 4.300 4.392 4.244 4.516 0.216 9 0 "[ . 1 .]" 2
458 1 50 VAL MG2 1 100 ASP H 3.000 . 3.300 3.537 3.450 3.615 0.315 8 0 "[ . 1 .]" 2
459 1 50 VAL HA 1 101 VAL HA 3.000 . 3.300 2.828 2.744 2.925 . 0 0 "[ . 1 .]" 2
460 1 50 VAL MG1 1 102 PRO HD3 5.000 . 5.300 4.096 2.857 4.414 . 0 0 "[ . 1 .]" 2
461 1 50 VAL H 1 102 PRO QD 5.000 . 5.300 4.704 4.613 4.803 . 0 0 "[ . 1 .]" 2
462 1 50 VAL HA 1 102 PRO HD3 3.000 . 3.300 2.380 2.282 2.526 . 0 0 "[ . 1 .]" 2
463 1 51 TYR H 1 52 VAL H 5.000 . 5.300 4.120 4.049 4.194 . 0 0 "[ . 1 .]" 2
464 1 51 TYR HA 1 52 VAL H 3.000 . 3.300 2.084 2.060 2.107 . 0 0 "[ . 1 .]" 2
465 1 51 TYR HA 1 52 VAL MG2 4.000 . 4.300 3.757 3.489 3.933 . 0 0 "[ . 1 .]" 2
466 1 51 TYR HB2 1 52 VAL H 4.000 . 4.300 4.320 4.276 4.354 0.054 2 0 "[ . 1 .]" 2
467 1 51 TYR HB3 1 52 VAL H 4.000 . 4.300 3.643 3.580 3.707 . 0 0 "[ . 1 .]" 2
468 1 51 TYR QE 1 71 LEU QD 4.000 . 4.300 4.844 4.420 5.091 0.791 7 11 "[*** **+ ** ** -]" 2
469 1 51 TYR QE 1 76 ALA MB 5.000 . 5.300 3.514 3.203 3.720 . 0 0 "[ . 1 .]" 2
470 1 51 TYR QE 1 78 LEU HA 4.000 . 4.300 2.844 2.597 3.015 . 0 0 "[ . 1 .]" 2
471 1 51 TYR QE 1 78 LEU MD1 4.000 . 4.300 3.758 3.255 4.449 0.149 14 0 "[ . 1 .]" 2
472 1 51 TYR HH 1 78 LEU HA 4.000 . 4.300 3.035 2.344 4.207 . 0 0 "[ . 1 .]" 2
473 1 51 TYR HH 1 78 LEU MD1 5.000 . 5.300 4.143 3.445 5.046 . 0 0 "[ . 1 .]" 2
474 1 51 TYR QD 1 79 LYS H 4.000 . 4.300 4.047 3.685 4.374 0.074 14 0 "[ . 1 .]" 2
475 1 51 TYR QE 1 79 LYS H 5.000 . 5.300 2.592 2.082 3.079 . 0 0 "[ . 1 .]" 2
476 1 51 TYR QD 1 79 LYS QB 3.000 . 3.300 2.288 2.257 2.364 . 0 0 "[ . 1 .]" 2
477 1 51 TYR QD 1 79 LYS HG2 4.000 . 4.300 3.652 3.535 3.749 . 0 0 "[ . 1 .]" 2
478 1 51 TYR QD 1 79 LYS HG3 3.000 . 3.300 2.492 2.366 2.744 . 0 0 "[ . 1 .]" 2
479 1 51 TYR QD 1 79 LYS QD 4.000 . 4.300 4.282 4.130 4.489 0.189 5 0 "[ . 1 .]" 2
480 1 51 TYR HA 1 81 ASN QD 5.000 . 5.300 4.042 3.605 4.255 . 0 0 "[ . 1 .]" 2
481 1 51 TYR QB 1 81 ASN QD 4.000 . 4.300 3.413 3.158 3.604 . 0 0 "[ . 1 .]" 2
482 1 51 TYR HA 1 82 SER HA 3.000 . 3.300 2.863 2.672 3.121 . 0 0 "[ . 1 .]" 2
483 1 51 TYR HA 1 82 SER H 5.000 . 5.300 5.579 5.468 5.806 0.506 8 1 "[ . + 1 .]" 2
484 1 51 TYR QB 1 82 SER HA 5.000 . 5.300 4.275 4.086 4.498 . 0 0 "[ . 1 .]" 2
485 1 51 TYR QD 1 82 SER H 4.000 . 4.300 4.414 4.300 4.650 0.350 8 0 "[ . 1 .]" 2
486 1 51 TYR QD 1 82 SER HA 3.000 . 3.300 2.564 2.365 2.749 . 0 0 "[ . 1 .]" 2
487 1 51 TYR QD 1 82 SER HG 4.000 . 4.300 3.223 2.704 3.682 . 0 0 "[ . 1 .]" 2
488 1 51 TYR QE 1 82 SER HA 3.000 . 3.300 3.773 3.499 4.024 0.724 12 6 "[*- * * +* .]" 2
489 1 51 TYR QE 1 82 SER HG 4.000 . 4.300 2.464 1.753 2.805 0.047 6 0 "[ . 1 .]" 2
490 1 51 TYR QE 1 82 SER HB2 4.000 . 4.300 3.601 3.075 4.337 0.037 6 0 "[ . 1 .]" 2
491 1 51 TYR QE 1 82 SER HB3 4.000 . 4.300 4.019 3.602 4.264 . 0 0 "[ . 1 .]" 2
492 1 51 TYR HA 1 83 ARG H 5.000 . 5.300 3.039 2.617 3.461 . 0 0 "[ . 1 .]" 2
493 1 51 TYR QD 1 83 ARG H 4.000 . 4.300 4.120 3.722 4.385 0.085 10 0 "[ . 1 .]" 2
494 1 51 TYR H 1 100 ASP H 3.000 . 3.300 3.085 3.007 3.157 . 0 0 "[ . 1 .]" 2
495 1 51 TYR HA 1 100 ASP HB2 4.000 . 4.300 4.575 4.530 4.613 0.313 5 0 "[ . 1 .]" 2
496 1 51 TYR HB2 1 100 ASP HA 5.000 . 5.300 4.309 4.258 4.380 . 0 0 "[ . 1 .]" 2
497 1 51 TYR HB3 1 100 ASP H 4.000 . 4.300 4.200 4.116 4.305 0.005 14 0 "[ . 1 .]" 2
498 1 51 TYR H 1 101 VAL HA 3.000 . 3.300 3.347 3.281 3.429 0.129 6 0 "[ . 1 .]" 2
499 1 51 TYR QB 1 102 PRO QD 5.000 . 5.300 4.366 4.196 5.406 0.106 15 0 "[ . 1 .]" 2
500 1 51 TYR QE 1 102 PRO HA 4.000 . 4.300 4.130 3.708 4.285 . 0 0 "[ . 1 .]" 2
501 1 51 TYR QD 1 102 PRO HB3 3.000 . 3.300 3.592 3.425 3.732 0.432 4 0 "[ . 1 .]" 2
502 1 51 TYR QD 1 102 PRO QD 5.000 . 5.300 2.723 2.385 4.604 . 0 0 "[ . 1 .]" 2
503 1 51 TYR H 1 102 PRO QD 5.000 . 5.300 3.605 3.385 4.128 . 0 0 "[ . 1 .]" 2
504 1 51 TYR QE 1 102 PRO HB3 4.000 . 4.300 2.155 2.080 2.238 . 0 0 "[ . 1 .]" 2
505 1 52 VAL H 1 53 ASN H 5.000 . 5.300 4.564 4.530 4.596 . 0 0 "[ . 1 .]" 2
506 1 52 VAL HA 1 53 ASN H 3.000 . 3.300 2.216 2.188 2.247 . 0 0 "[ . 1 .]" 2
507 1 52 VAL HB 1 53 ASN H 5.000 . 5.300 4.110 4.008 4.223 . 0 0 "[ . 1 .]" 2
508 1 52 VAL MG1 1 53 ASN H 3.000 . 3.300 2.503 2.291 2.599 . 0 0 "[ . 1 .]" 2
509 1 52 VAL MG2 1 53 ASN H 5.000 . 5.300 4.075 3.964 4.281 . 0 0 "[ . 1 .]" 2
510 1 52 VAL MG1 1 56 PHE H 4.000 . 4.300 3.142 2.989 3.573 . 0 0 "[ . 1 .]" 2
511 1 52 VAL MG1 1 56 PHE HB3 3.000 . 3.300 3.397 3.230 3.490 0.190 5 0 "[ . 1 .]" 2
512 1 52 VAL MG1 1 56 PHE HB2 3.000 . 3.300 2.427 2.316 2.600 . 0 0 "[ . 1 .]" 2
513 1 52 VAL HB 1 57 THR H 4.000 . 4.300 4.758 4.622 4.883 0.583 10 6 "[-* *.* *+ .]" 2
514 1 52 VAL H 1 57 THR MG 5.000 . 5.300 3.795 3.715 3.855 . 0 0 "[ . 1 .]" 2
515 1 52 VAL HB 1 57 THR HA 4.000 . 4.300 4.236 4.117 4.338 0.038 2 0 "[ . 1 .]" 2
516 1 52 VAL HB 1 57 THR MG 4.000 . 4.300 2.072 2.010 2.135 . 0 0 "[ . 1 .]" 2
517 1 52 VAL MG1 1 57 THR H 4.000 . 4.300 3.253 3.035 3.735 . 0 0 "[ . 1 .]" 2
518 1 52 VAL MG1 1 57 THR HA 3.000 . 3.300 3.339 3.155 3.444 0.144 7 0 "[ . 1 .]" 2
519 1 52 VAL MG1 1 57 THR HB 5.000 . 5.300 4.564 4.366 4.824 . 0 0 "[ . 1 .]" 2
520 1 52 VAL MG2 1 57 THR HA 4.000 . 4.300 4.497 4.398 4.558 0.258 6 0 "[ . 1 .]" 2
521 1 52 VAL MG1 1 57 THR MG 4.000 . 4.300 2.185 2.014 2.489 . 0 0 "[ . 1 .]" 2
522 1 52 VAL MG2 1 57 THR MG 4.000 . 4.300 3.143 3.027 3.318 . 0 0 "[ . 1 .]" 2
523 1 52 VAL H 1 81 ASN HD21 5.000 . 5.300 4.771 3.236 5.513 0.213 15 0 "[ . 1 .]" 2
524 1 52 VAL H 1 81 ASN HD22 5.000 . 5.300 4.173 4.002 4.343 . 0 0 "[ . 1 .]" 2
525 1 52 VAL HB 1 81 ASN HD22 5.000 . 5.300 5.235 5.034 5.398 0.098 9 0 "[ . 1 .]" 2
526 1 52 VAL H 1 82 SER HA 5.000 . 5.300 3.621 3.387 4.008 . 0 0 "[ . 1 .]" 2
527 1 52 VAL MG2 1 82 SER HA 5.000 . 5.300 4.890 4.188 5.362 0.062 6 0 "[ . 1 .]" 2
528 1 52 VAL MG2 1 83 ARG H 5.000 . 5.300 3.762 3.226 4.049 . 0 0 "[ . 1 .]" 2
529 1 52 VAL MG2 1 83 ARG HE 5.000 . 5.300 5.147 3.931 5.652 0.352 13 0 "[ . 1 .]" 2
530 1 52 VAL H 1 83 ARG H 5.000 . 5.300 3.408 3.073 3.740 . 0 0 "[ . 1 .]" 2
531 1 52 VAL MG2 1 88 ILE HB 4.000 . 4.300 4.598 4.468 4.711 0.411 14 0 "[ . 1 .]" 2
532 1 52 VAL HB 1 97 ILE MD 5.000 . 5.300 4.401 4.099 4.680 . 0 0 "[ . 1 .]" 2
533 1 52 VAL MG1 1 97 ILE MD 3.000 . 3.300 1.980 1.817 2.163 . 0 0 "[ . 1 .]" 2
534 1 52 VAL HA 1 99 VAL HA 3.000 . 3.300 2.338 2.280 2.445 . 0 0 "[ . 1 .]" 2
535 1 52 VAL H 1 99 VAL HA 4.000 . 4.300 4.835 4.776 4.927 0.627 8 12 "[* ** *+****-**]" 2
536 1 52 VAL H 1 99 VAL MG1 4.000 . 4.300 4.331 4.212 4.430 0.130 8 0 "[ . 1 .]" 2
537 1 52 VAL HA 1 99 VAL HB 5.000 . 5.300 5.176 5.088 5.295 . 0 0 "[ . 1 .]" 2
538 1 52 VAL HA 1 99 VAL MG1 5.000 . 5.300 2.961 2.884 3.058 . 0 0 "[ . 1 .]" 2
539 1 52 VAL MG1 1 99 VAL MG1 4.000 . 4.300 3.655 3.181 3.931 . 0 0 "[ . 1 .]" 2
540 1 52 VAL HA 1 100 ASP H 5.000 . 5.300 3.157 3.083 3.227 . 0 0 "[ . 1 .]" 2
541 1 52 VAL HA 1 100 ASP QB 4.000 . 4.300 4.480 4.425 4.534 0.234 10 0 "[ . 1 .]" 2
542 1 53 ASN HA 1 54 GLU H 3.000 . 3.300 2.168 2.150 2.187 . 0 0 "[ . 1 .]" 2
543 1 53 ASN HB3 1 54 GLU H 5.000 . 5.300 4.260 3.686 4.500 . 0 0 "[ . 1 .]" 2
544 1 53 ASN HB2 1 54 GLU H 5.000 . 5.300 4.062 3.446 4.576 . 0 0 "[ . 1 .]" 2
545 1 53 ASN QD 1 54 GLU H 5.000 . 5.300 4.932 4.080 5.500 0.200 13 0 "[ . 1 .]" 2
546 1 53 ASN H 1 56 PHE HB2 5.000 . 5.300 4.483 4.307 4.601 . 0 0 "[ . 1 .]" 2
547 1 53 ASN QB 1 56 PHE QD 3.000 . 3.300 2.880 2.417 3.415 0.115 14 0 "[ . 1 .]" 2
548 1 53 ASN H 1 57 THR MG 5.000 . 5.300 4.362 4.283 4.413 . 0 0 "[ . 1 .]" 2
549 1 53 ASN HA 1 81 ASN QD 4.000 . 4.300 4.258 3.537 4.486 0.186 13 0 "[ . 1 .]" 2
550 1 53 ASN H 1 97 ILE MD 5.000 . 5.300 3.363 2.820 4.615 . 0 0 "[ . 1 .]" 2
551 1 53 ASN QD 1 97 ILE HA 5.000 . 5.300 4.051 2.151 5.319 0.019 2 0 "[ . 1 .]" 2
552 1 53 ASN QD 1 97 ILE MD 5.000 . 5.300 4.552 2.419 5.483 0.183 9 0 "[ . 1 .]" 2
553 1 53 ASN H 1 98 VAL HB 3.000 . 3.300 3.548 3.434 3.626 0.326 5 0 "[ . 1 .]" 2
554 1 53 ASN H 1 98 VAL MG1 5.000 . 5.300 4.470 4.224 4.616 . 0 0 "[ . 1 .]" 2
555 1 53 ASN H 1 98 VAL H 5.000 . 5.300 3.803 3.709 3.889 . 0 0 "[ . 1 .]" 2
556 1 53 ASN HA 1 98 VAL H 5.000 . 5.300 5.583 5.453 5.699 0.399 11 0 "[ . 1 .]" 2
557 1 53 ASN HB3 1 98 VAL H 4.000 . 4.300 3.204 2.596 4.034 . 0 0 "[ . 1 .]" 2
558 1 53 ASN HB2 1 98 VAL H 4.000 . 4.300 3.766 2.572 4.338 0.038 13 0 "[ . 1 .]" 2
559 1 53 ASN QB 1 98 VAL HB 4.000 . 4.300 2.201 2.109 2.303 . 0 0 "[ . 1 .]" 2
560 1 53 ASN QB 1 98 VAL MG1 4.000 . 4.300 3.520 3.227 3.859 . 0 0 "[ . 1 .]" 2
561 1 53 ASN QD 1 98 VAL HA 5.000 . 5.300 5.061 3.952 5.491 0.191 12 0 "[ . 1 .]" 2
562 1 53 ASN HD21 1 98 VAL HB 5.000 . 5.300 3.192 2.587 4.465 . 0 0 "[ . 1 .]" 2
563 1 53 ASN HD22 1 98 VAL HB 5.000 . 5.300 4.196 2.974 4.847 . 0 0 "[ . 1 .]" 2
564 1 53 ASN H 1 99 VAL HA 4.000 . 4.300 3.211 3.136 3.326 . 0 0 "[ . 1 .]" 2
565 1 53 ASN H 1 99 VAL MG1 4.000 . 4.300 4.538 4.477 4.654 0.354 2 0 "[ . 1 .]" 2
566 1 54 GLU H 1 55 ALA H 3.000 . 3.300 3.035 3.003 3.066 . 0 0 "[ . 1 .]" 2
567 1 54 GLU HA 1 55 ALA H 4.000 . 4.300 3.344 3.315 3.383 . 0 0 "[ . 1 .]" 2
568 1 54 GLU QB 1 55 ALA H 4.000 . 4.300 3.859 3.801 3.893 . 0 0 "[ . 1 .]" 2
569 1 54 GLU QG 1 55 ALA H 4.000 . 4.300 2.891 2.784 3.008 . 0 0 "[ . 1 .]" 2
570 1 54 GLU HA 1 56 PHE H 4.000 . 4.300 3.841 3.757 3.930 . 0 0 "[ . 1 .]" 2
571 1 54 GLU H 1 57 THR H 5.000 . 5.300 5.225 5.160 5.276 . 0 0 "[ . 1 .]" 2
572 1 54 GLU H 1 57 THR MG 5.000 . 5.300 3.871 3.647 4.030 . 0 0 "[ . 1 .]" 2
573 1 54 GLU HA 1 57 THR MG 3.000 . 3.300 2.279 2.086 2.473 . 0 0 "[ . 1 .]" 2
574 1 54 GLU HA 1 81 ASN HB3 5.000 . 5.300 3.961 3.630 4.286 . 0 0 "[ . 1 .]" 2
575 1 54 GLU H 1 81 ASN QD 5.000 . 5.300 3.638 2.969 3.893 . 0 0 "[ . 1 .]" 2
576 1 54 GLU HB3 1 81 ASN QD 5.000 . 5.300 3.588 3.221 3.983 . 0 0 "[ . 1 .]" 2
577 1 54 GLU QG 1 81 ASN QD 5.000 . 5.300 4.552 4.063 5.033 . 0 0 "[ . 1 .]" 2
578 1 55 ALA H 1 56 PHE H 4.000 . 4.300 2.523 2.486 2.579 . 0 0 "[ . 1 .]" 2
579 1 55 ALA HA 1 56 PHE H 4.000 . 4.300 3.518 3.495 3.535 . 0 0 "[ . 1 .]" 2
580 1 55 ALA H 1 56 PHE QD 4.000 . 4.300 3.170 3.011 3.418 . 0 0 "[ . 1 .]" 2
581 1 55 ALA MB 1 56 PHE QD 4.000 . 4.300 2.346 2.269 2.550 . 0 0 "[ . 1 .]" 2
582 1 55 ALA MB 1 56 PHE QE 4.000 . 4.300 2.575 2.377 2.892 . 0 0 "[ . 1 .]" 2
583 1 55 ALA MB 1 56 PHE H 4.000 . 4.300 3.118 3.074 3.165 . 0 0 "[ . 1 .]" 2
584 1 55 ALA MB 1 56 PHE HZ 4.000 . 4.300 4.286 4.123 4.408 0.108 2 0 "[ . 1 .]" 2
585 1 55 ALA H 1 57 THR H 4.000 . 4.300 3.713 3.655 3.810 . 0 0 "[ . 1 .]" 2
586 1 55 ALA HA 1 57 THR H 5.000 . 5.300 4.140 4.068 4.208 . 0 0 "[ . 1 .]" 2
587 1 55 ALA HA 1 58 ASP QB 5.000 . 5.300 5.457 5.397 5.599 0.299 11 0 "[ . 1 .]" 2
588 1 56 PHE H 1 57 THR H 3.000 . 3.300 1.859 1.815 1.930 . 0 0 "[ . 1 .]" 2
589 1 56 PHE HA 1 57 THR H 4.000 . 4.300 3.333 3.315 3.353 . 0 0 "[ . 1 .]" 2
590 1 56 PHE HB3 1 57 THR H 4.000 . 4.300 4.112 4.045 4.176 . 0 0 "[ . 1 .]" 2
591 1 56 PHE HB2 1 57 THR H 5.000 . 5.300 3.278 3.207 3.372 . 0 0 "[ . 1 .]" 2
592 1 56 PHE H 1 57 THR MG 4.000 . 4.300 3.224 2.957 3.339 . 0 0 "[ . 1 .]" 2
593 1 56 PHE HA 1 59 LYS H 3.000 . 3.300 3.426 3.254 3.553 0.253 1 0 "[ . 1 .]" 2
594 1 56 PHE HA 1 59 LYS QB 4.000 . 4.300 2.619 2.375 2.879 . 0 0 "[ . 1 .]" 2
595 1 56 PHE HA 1 59 LYS QG 4.000 . 4.300 2.232 2.040 2.354 . 0 0 "[ . 1 .]" 2
596 1 56 PHE HA 1 59 LYS QD 4.000 . 4.300 2.937 2.318 4.129 . 0 0 "[ . 1 .]" 2
597 1 56 PHE QD 1 59 LYS QB 8.400 . 8.700 4.023 3.635 4.397 . 0 0 "[ . 1 .]" 2
598 1 56 PHE QD 1 59 LYS QG 5.000 . 5.300 4.452 3.853 4.740 . 0 0 "[ . 1 .]" 2
599 1 56 PHE QD 1 59 LYS QD 5.000 . 5.300 4.353 3.436 5.884 0.584 6 2 "[ .+ 1 -]" 2
600 1 56 PHE HA 1 60 VAL H 5.000 . 5.300 3.723 3.569 3.844 . 0 0 "[ . 1 .]" 2
601 1 56 PHE HA 1 60 VAL HB 4.000 . 4.300 4.431 4.223 4.641 0.341 7 0 "[ . 1 .]" 2
602 1 56 PHE HB3 1 60 VAL QG 5.000 . 5.300 3.572 3.305 3.717 . 0 0 "[ . 1 .]" 2
603 1 56 PHE QE 1 90 MET ME 4.000 . 4.300 4.015 3.740 4.223 . 0 0 "[ . 1 .]" 2
604 1 56 PHE HA 1 94 LEU MD1 3.000 . 3.300 3.654 3.447 3.948 0.648 3 2 "[ + . -1 .]" 2
605 1 56 PHE HA 1 94 LEU MD2 3.000 . 3.300 2.869 2.250 3.705 0.405 10 0 "[ . 1 .]" 2
606 1 56 PHE QD 1 94 LEU HB2 4.000 . 4.300 3.932 3.789 4.023 . 0 0 "[ . 1 .]" 2
607 1 56 PHE QD 1 94 LEU MD1 4.000 . 4.300 3.197 2.934 3.786 . 0 0 "[ . 1 .]" 2
608 1 56 PHE QD 1 94 LEU MD2 3.000 . 3.300 2.345 2.021 2.895 . 0 0 "[ . 1 .]" 2
609 1 56 PHE QD 1 94 LEU HA 4.000 . 4.300 3.392 2.687 3.903 . 0 0 "[ . 1 .]" 2
610 1 56 PHE QE 1 94 LEU HG 5.000 . 5.300 5.148 3.107 5.573 0.273 10 0 "[ . 1 .]" 2
611 1 56 PHE QE 1 94 LEU HA 4.000 . 4.300 2.900 2.339 3.301 . 0 0 "[ . 1 .]" 2
612 1 56 PHE QE 1 94 LEU HB3 4.000 . 4.300 3.479 3.315 3.645 . 0 0 "[ . 1 .]" 2
613 1 56 PHE QE 1 94 LEU MD2 3.000 . 3.300 3.110 2.445 3.954 0.654 8 1 "[ . + 1 .]" 2
614 1 56 PHE QD 1 96 GLY H 5.000 . 5.300 5.844 5.696 5.991 0.691 10 9 "[ **-. * *+* **]" 2
615 1 56 PHE QE 1 96 GLY HA3 4.000 . 4.300 3.884 3.637 4.162 . 0 0 "[ . 1 .]" 2
616 1 56 PHE HZ 1 96 GLY HA3 5.000 . 5.300 3.339 3.136 3.583 . 0 0 "[ . 1 .]" 2
617 1 56 PHE HZ 1 96 GLY HA2 5.000 . 5.300 4.786 4.598 5.016 . 0 0 "[ . 1 .]" 2
618 1 56 PHE HA 1 97 ILE HB 5.000 . 5.300 5.320 5.166 5.447 0.147 2 0 "[ . 1 .]" 2
619 1 56 PHE HA 1 97 ILE MD 5.000 . 5.300 4.916 4.300 5.803 0.503 12 1 "[ . 1 + .]" 2
620 1 56 PHE HB3 1 97 ILE HG12 5.000 . 5.300 3.815 2.719 4.587 . 0 0 "[ . 1 .]" 2
621 1 56 PHE HB2 1 97 ILE HG12 5.000 . 5.300 3.531 2.184 4.478 . 0 0 "[ . 1 .]" 2
622 1 56 PHE HB3 1 97 ILE HG13 5.000 . 5.300 3.779 2.331 5.374 0.074 4 0 "[ . 1 .]" 2
623 1 56 PHE HB3 1 97 ILE MD 4.000 . 4.300 3.004 2.271 4.020 . 0 0 "[ . 1 .]" 2
624 1 56 PHE HB2 1 97 ILE HA 5.000 . 5.300 4.019 3.895 4.107 . 0 0 "[ . 1 .]" 2
625 1 56 PHE HB2 1 97 ILE MD 4.000 . 4.300 2.694 2.026 3.425 . 0 0 "[ . 1 .]" 2
626 1 56 PHE QD 1 97 ILE MG 4.000 . 4.300 3.947 3.488 4.370 0.070 2 0 "[ . 1 .]" 2
627 1 56 PHE QD 1 97 ILE HG13 5.000 . 5.300 3.970 2.982 5.049 . 0 0 "[ . 1 .]" 2
628 1 56 PHE QD 1 97 ILE HG12 4.000 . 4.300 3.904 2.812 4.532 0.232 14 0 "[ . 1 .]" 2
629 1 56 PHE HB3 1 97 ILE HB 3.000 . 3.300 3.350 3.184 3.497 0.197 3 0 "[ . 1 .]" 2
630 1 56 PHE QD 1 97 ILE H 4.000 . 4.300 4.118 3.888 4.336 0.036 3 0 "[ . 1 .]" 2
631 1 56 PHE QD 1 97 ILE HA 5.000 . 5.300 3.114 3.005 3.201 . 0 0 "[ . 1 .]" 2
632 1 56 PHE QD 1 97 ILE HB 5.000 . 5.300 2.590 2.318 3.071 . 0 0 "[ . 1 .]" 2
633 1 56 PHE QD 1 97 ILE MD 5.000 . 5.300 3.311 2.715 4.061 . 0 0 "[ . 1 .]" 2
634 1 56 PHE QE 1 97 ILE HA 4.000 . 4.300 2.963 2.906 3.030 . 0 0 "[ . 1 .]" 2
635 1 56 PHE QE 1 97 ILE HB 5.000 . 5.300 3.429 3.125 3.773 . 0 0 "[ . 1 .]" 2
636 1 56 PHE QE 1 97 ILE MD 5.000 . 5.300 4.424 3.790 5.026 . 0 0 "[ . 1 .]" 2
637 1 56 PHE HZ 1 97 ILE HA 4.000 . 4.300 3.319 3.186 3.525 . 0 0 "[ . 1 .]" 2
638 1 56 PHE HB3 1 98 VAL H 5.000 . 5.300 5.348 5.184 5.426 0.126 9 0 "[ . 1 .]" 2
639 1 56 PHE QD 1 98 VAL H 3.000 . 3.300 3.431 3.135 3.634 0.334 15 0 "[ . 1 .]" 2
640 1 56 PHE QE 1 98 VAL H 5.000 . 5.300 3.560 3.418 3.789 . 0 0 "[ . 1 .]" 2
641 1 56 PHE QE 1 98 VAL MG2 3.000 . 3.300 3.214 2.957 3.344 0.044 11 0 "[ . 1 .]" 2
642 1 56 PHE HZ 1 98 VAL MG2 4.000 . 4.300 4.243 3.993 4.568 0.268 10 0 "[ . 1 .]" 2
643 1 57 THR H 1 58 ASP H 3.000 . 3.300 2.642 2.607 2.673 . 0 0 "[ . 1 .]" 2
644 1 57 THR HA 1 58 ASP H 4.000 . 4.300 3.567 3.556 3.580 . 0 0 "[ . 1 .]" 2
645 1 57 THR HB 1 58 ASP H 4.000 . 4.300 3.548 3.456 3.601 . 0 0 "[ . 1 .]" 2
646 1 57 THR MG 1 58 ASP H 4.000 . 4.300 3.946 3.789 4.025 . 0 0 "[ . 1 .]" 2
647 1 57 THR H 1 59 LYS QG 3.000 . 3.300 3.812 3.671 3.929 0.629 10 9 "[ ***- **+* * .]" 2
648 1 57 THR H 1 59 LYS QD 5.000 . 5.300 5.145 4.908 5.508 0.208 15 0 "[ . 1 .]" 2
649 1 57 THR HA 1 60 VAL H 4.000 . 4.300 3.781 3.607 4.047 . 0 0 "[ . 1 .]" 2
650 1 57 THR HA 1 60 VAL HB 4.000 . 4.300 3.803 3.476 4.135 . 0 0 "[ . 1 .]" 2
651 1 57 THR HA 1 60 VAL QG 3.000 . 3.300 3.189 2.885 3.474 0.174 1 0 "[ . 1 .]" 2
652 1 57 THR MG 1 81 ASN HB3 4.000 . 4.300 3.888 3.723 4.265 . 0 0 "[ . 1 .]" 2
653 1 57 THR MG 1 81 ASN QD 4.000 . 4.300 3.621 2.507 4.011 . 0 0 "[ . 1 .]" 2
654 1 57 THR MG 1 81 ASN HD22 5.000 . 5.300 4.271 3.989 4.380 . 0 0 "[ . 1 .]" 2
655 1 58 ASP H 1 59 LYS H 3.000 . 3.300 2.475 2.329 2.578 . 0 0 "[ . 1 .]" 2
656 1 58 ASP HA 1 59 LYS H 4.000 . 4.300 3.231 3.106 3.315 . 0 0 "[ . 1 .]" 2
657 1 58 ASP QB 1 59 LYS H 4.000 . 4.300 3.861 3.791 3.952 . 0 0 "[ . 1 .]" 2
658 1 58 ASP H 1 60 VAL H 4.000 . 4.300 4.316 4.239 4.373 0.073 11 0 "[ . 1 .]" 2
659 1 58 ASP HA 1 60 VAL H 4.000 . 4.300 4.719 4.625 4.789 0.489 13 0 "[ . 1 .]" 2
660 1 59 LYS H 1 60 VAL H 3.000 . 3.300 2.134 2.002 2.231 . 0 0 "[ . 1 .]" 2
661 1 59 LYS HA 1 60 VAL H 4.000 . 4.300 3.548 3.532 3.576 . 0 0 "[ . 1 .]" 2
662 1 59 LYS QB 1 60 VAL QG 4.000 . 4.300 3.852 3.604 4.064 . 0 0 "[ . 1 .]" 2
663 1 59 LYS QB 1 60 VAL H 4.000 . 4.300 2.396 2.227 2.624 . 0 0 "[ . 1 .]" 2
664 1 59 LYS QG 1 60 VAL H 5.000 . 5.300 3.449 3.343 3.638 . 0 0 "[ . 1 .]" 2
665 1 59 LYS HA 1 94 LEU MD2 4.000 . 4.300 4.189 3.854 4.559 0.259 8 0 "[ . 1 .]" 2
666 1 59 LYS HA 1 94 LEU MD1 5.000 . 5.300 3.956 3.688 4.407 . 0 0 "[ . 1 .]" 2
667 1 59 LYS HB3 1 94 LEU MD2 5.000 . 5.300 2.380 2.061 3.574 . 0 0 "[ . 1 .]" 2
668 1 59 LYS HB2 1 94 LEU MD1 3.000 . 3.300 2.311 2.046 2.754 . 0 0 "[ . 1 .]" 2
669 1 60 VAL HA 1 61 PRO HD2 3.000 . 3.300 2.586 2.297 2.994 . 0 0 "[ . 1 .]" 2
670 1 60 VAL HA 1 61 PRO HD3 3.000 . 3.300 2.422 2.341 2.525 . 0 0 "[ . 1 .]" 2
671 1 60 VAL HB 1 61 PRO HD2 4.000 . 4.300 3.878 3.830 3.941 . 0 0 "[ . 1 .]" 2
672 1 60 VAL H 1 61 PRO HD3 5.000 . 5.300 5.157 5.105 5.231 . 0 0 "[ . 1 .]" 2
673 1 60 VAL QG 1 61 PRO HD2 3.000 . 3.300 1.904 1.853 1.953 . 0 0 "[ . 1 .]" 2
674 1 60 VAL QG 1 61 PRO HD3 4.000 . 4.300 2.746 2.383 3.042 . 0 0 "[ . 1 .]" 2
675 1 60 VAL QG 1 83 ARG HH12 5.000 . 5.300 2.600 1.754 3.490 0.046 2 0 "[ . 1 .]" 2
676 1 60 VAL QG 1 83 ARG HH22 4.000 . 4.300 3.615 2.442 5.295 0.995 15 2 "[- . 1 +]" 2
677 1 60 VAL QG 1 88 ILE MD 3.000 . 3.300 2.590 1.888 3.350 0.050 2 0 "[ . 1 .]" 2
678 1 60 VAL QG 1 88 ILE MG 4.000 . 4.300 1.931 1.802 2.131 . 0 0 "[ . 1 .]" 2
679 1 60 VAL HB 1 89 ILE H 5.000 . 5.300 5.714 5.573 5.817 0.517 5 3 "[ + *-1 .]" 2
680 1 60 VAL HB 1 90 MET ME 4.000 . 4.300 4.533 4.271 4.759 0.459 7 0 "[ . 1 .]" 2
681 1 60 VAL QG 1 90 MET HA 3.000 . 3.300 3.237 3.060 3.381 0.081 8 0 "[ . 1 .]" 2
682 1 60 VAL HA 1 94 LEU MD1 5.000 . 5.300 2.514 2.153 3.320 . 0 0 "[ . 1 .]" 2
683 1 60 VAL HB 1 94 LEU MD1 3.000 . 3.300 2.823 2.262 3.854 0.554 8 1 "[ . + 1 .]" 2
684 1 60 VAL QG 1 94 LEU HB2 3.000 . 3.300 3.661 3.505 3.798 0.498 4 0 "[ . 1 .]" 2
685 1 60 VAL QG 1 94 LEU HB3 3.000 . 3.300 3.508 3.315 3.688 0.388 4 0 "[ . 1 .]" 2
686 1 61 PRO HA 1 62 ALA H 3.000 . 3.300 2.146 2.117 2.189 . 0 0 "[ . 1 .]" 2
687 1 61 PRO HA 1 62 ALA MB 4.000 . 4.300 3.971 3.942 3.999 . 0 0 "[ . 1 .]" 2
688 1 61 PRO HB3 1 62 ALA H 4.000 . 4.300 3.988 3.892 4.079 . 0 0 "[ . 1 .]" 2
689 1 61 PRO HB2 1 62 ALA H 4.000 . 4.300 3.897 3.766 4.055 . 0 0 "[ . 1 .]" 2
690 1 61 PRO QG 1 62 ALA H 5.000 . 5.300 4.953 4.902 5.026 . 0 0 "[ . 1 .]" 2
691 1 61 PRO QG 1 89 ILE H 5.000 . 5.300 2.990 2.502 3.449 . 0 0 "[ . 1 .]" 2
692 1 61 PRO QD 1 62 ALA H 5.000 . 5.300 4.875 4.784 4.931 . 0 0 "[ . 1 .]" 2
693 1 62 ALA HA 1 63 ALA H 3.000 . 3.300 2.083 2.041 2.160 . 0 0 "[ . 1 .]" 2
694 1 62 ALA H 1 63 ALA H 3.000 . 3.300 4.466 4.418 4.531 1.231 15 15 [-*************+] 2
695 1 62 ALA MB 1 63 ALA H 4.000 . 4.300 2.908 2.650 3.057 . 0 0 "[ . 1 .]" 2
696 1 62 ALA HA 1 83 ARG QH2 3.000 . 3.300 1.933 1.669 2.413 0.131 6 0 "[ . 1 .]" 2
697 1 63 ALA HA 1 64 ASN H 3.000 . 3.300 2.240 2.142 2.865 . 0 0 "[ . 1 .]" 2
698 1 63 ALA MB 1 64 ASN H 5.000 . 5.500 2.796 1.774 3.069 0.026 12 0 "[ . 1 .]" 2
699 1 63 ALA MB 1 67 GLU QG 4.000 . 4.300 3.393 2.719 4.126 . 0 0 "[ . 1 .]" 2
700 1 63 ALA MB 1 68 ILE MD 5.000 . 5.300 2.780 2.097 4.042 . 0 0 "[ . 1 .]" 2
701 1 63 ALA H 1 83 ARG HD3 5.000 . 5.300 4.849 3.926 5.535 0.235 12 0 "[ . 1 .]" 2
702 1 63 ALA HA 1 83 ARG QH1 5.000 . 5.300 4.676 2.643 5.960 0.660 5 1 "[ + 1 .]" 2
703 1 63 ALA MB 1 83 ARG HE 4.000 . 4.300 2.514 1.770 4.432 0.132 3 0 "[ . 1 .]" 2
704 1 63 ALA MB 1 83 ARG HD3 5.000 . 5.300 3.277 2.408 4.391 . 0 0 "[ . 1 .]" 2
705 1 63 ALA MB 1 83 ARG QH1 5.000 . 5.300 3.569 1.665 4.281 0.135 3 0 "[ . 1 .]" 2
706 1 64 ASN HA 1 65 GLU H 3.000 . 3.300 2.357 2.238 2.467 . 0 0 "[ . 1 .]" 2
707 1 64 ASN HB3 1 65 GLU H 3.000 . 3.300 3.530 3.396 3.728 0.428 6 0 "[ . 1 .]" 2
708 1 64 ASN HB2 1 65 GLU H 3.000 . 3.300 2.549 2.206 2.865 . 0 0 "[ . 1 .]" 2
709 1 64 ASN QD 1 65 GLU H 5.000 . 5.300 4.710 4.103 5.311 0.011 14 0 "[ . 1 .]" 2
710 1 64 ASN HA 1 66 ARG H 5.000 . 5.300 4.108 3.927 4.306 . 0 0 "[ . 1 .]" 2
711 1 64 ASN HB3 1 66 ARG H 5.000 . 5.300 4.154 3.972 4.345 . 0 0 "[ . 1 .]" 2
712 1 64 ASN HB2 1 66 ARG H 5.000 . 5.300 2.563 2.268 3.310 . 0 0 "[ . 1 .]" 2
713 1 64 ASN QD 1 66 ARG HE 5.000 . 5.300 4.671 3.124 5.414 0.114 1 0 "[ . 1 .]" 2
714 1 65 GLU H 1 66 ARG H 3.000 . 3.300 2.870 2.765 2.965 . 0 0 "[ . 1 .]" 2
715 1 65 GLU HA 1 66 ARG H 4.000 . 4.300 3.456 3.341 3.529 . 0 0 "[ . 1 .]" 2
716 1 65 GLU QB 1 66 ARG H 4.000 . 4.300 3.783 3.680 3.947 . 0 0 "[ . 1 .]" 2
717 1 65 GLU QG 1 66 ARG H 5.000 . 5.300 2.625 2.388 3.004 . 0 0 "[ . 1 .]" 2
718 1 65 GLU H 1 67 GLU H 5.000 . 5.300 4.578 4.348 4.832 . 0 0 "[ . 1 .]" 2
719 1 65 GLU H 1 68 ILE MD 5.000 . 5.300 4.341 3.997 5.502 0.202 3 0 "[ . 1 .]" 2
720 1 65 GLU H 1 68 ILE QG 5.000 . 5.300 5.223 4.199 5.531 0.231 7 0 "[ . 1 .]" 2
721 1 65 GLU HA 1 68 ILE H 4.000 . 4.300 3.216 2.980 3.444 . 0 0 "[ . 1 .]" 2
722 1 65 GLU HA 1 68 ILE HB 3.000 . 3.300 2.667 2.521 3.026 . 0 0 "[ . 1 .]" 2
723 1 65 GLU HA 1 68 ILE MG 4.000 . 4.300 3.995 3.815 4.179 . 0 0 "[ . 1 .]" 2
724 1 65 GLU HA 1 68 ILE MD 5.000 . 5.300 2.693 2.110 3.879 . 0 0 "[ . 1 .]" 2
725 1 65 GLU HA 1 68 ILE QG 4.000 . 4.300 3.025 2.173 3.591 . 0 0 "[ . 1 .]" 2
726 1 65 GLU HA 1 69 GLY H 4.000 . 4.300 4.493 4.323 4.632 0.332 14 0 "[ . 1 .]" 2
727 1 66 ARG HA 1 67 GLU H 4.000 . 4.300 3.522 3.485 3.556 . 0 0 "[ . 1 .]" 2
728 1 66 ARG QB 1 67 GLU H 4.000 . 4.300 2.672 2.534 2.833 . 0 0 "[ . 1 .]" 2
729 1 66 ARG QG 1 67 GLU H 5.000 . 5.300 3.892 3.374 4.276 . 0 0 "[ . 1 .]" 2
730 1 66 ARG H 1 68 ILE H 5.000 . 5.300 4.031 3.839 4.181 . 0 0 "[ . 1 .]" 2
731 1 66 ARG HA 1 68 ILE H 5.000 . 5.300 4.491 4.283 4.704 . 0 0 "[ . 1 .]" 2
732 1 66 ARG HA 1 69 GLY H 4.000 . 4.300 3.785 3.487 4.021 . 0 0 "[ . 1 .]" 2
733 1 67 GLU QB 1 68 ILE MD 5.000 . 5.300 2.922 2.311 5.620 0.320 10 0 "[ . 1 .]" 2
734 1 67 GLU H 1 68 ILE H 3.000 . 3.300 2.576 2.481 2.630 . 0 0 "[ . 1 .]" 2
735 1 67 GLU H 1 68 ILE HB 5.000 . 5.300 4.609 4.396 4.936 . 0 0 "[ . 1 .]" 2
736 1 67 GLU H 1 70 MET ME 3.000 . 3.300 3.535 3.417 4.109 0.809 13 1 "[ . 1 + .]" 2
737 1 68 ILE H 1 69 GLY H 3.000 . 3.300 2.788 2.700 2.849 . 0 0 "[ . 1 .]" 2
738 1 68 ILE H 1 69 GLY QA 5.000 . 5.300 4.702 4.634 4.735 . 0 0 "[ . 1 .]" 2
739 1 68 ILE HA 1 69 GLY H 5.000 . 5.300 3.538 3.507 3.575 . 0 0 "[ . 1 .]" 2
740 1 68 ILE HB 1 69 GLY H 3.000 . 3.300 2.773 2.622 2.983 . 0 0 "[ . 1 .]" 2
741 1 68 ILE MG 1 69 GLY H 5.000 . 5.300 3.236 2.847 3.766 . 0 0 "[ . 1 .]" 2
742 1 68 ILE QG 1 69 GLY H 5.000 . 5.300 4.424 3.824 4.683 . 0 0 "[ . 1 .]" 2
743 1 68 ILE HA 1 71 LEU H 5.000 . 5.300 3.513 3.146 3.683 . 0 0 "[ . 1 .]" 2
744 1 68 ILE HA 1 71 LEU QD 3.000 . 3.300 2.522 2.228 3.414 0.114 8 0 "[ . 1 .]" 2
745 1 68 ILE QG 1 71 LEU QD 4.000 . 4.300 3.534 3.045 4.345 0.045 8 0 "[ . 1 .]" 2
746 1 69 GLY H 1 70 MET H 4.000 . 4.300 2.568 2.474 2.660 . 0 0 "[ . 1 .]" 2
747 1 69 GLY HA3 1 70 MET H 4.000 . 4.300 2.993 2.934 3.050 . 0 0 "[ . 1 .]" 2
748 1 69 GLY HA3 1 71 LEU H 5.000 . 5.300 4.649 4.479 4.737 . 0 0 "[ . 1 .]" 2
749 1 69 GLY HA2 1 71 LEU H 4.000 . 4.300 4.330 4.062 4.407 0.107 12 0 "[ . 1 .]" 2
750 1 69 GLY HA2 1 72 GLU H 5.000 . 5.300 3.535 3.417 3.607 . 0 0 "[ . 1 .]" 2
751 1 69 GLY HA3 1 72 GLU HB3 4.000 . 4.300 4.587 4.500 4.691 0.391 12 0 "[ . 1 .]" 2
752 1 70 MET HA 1 71 LEU H 4.000 . 4.300 3.500 3.466 3.517 . 0 0 "[ . 1 .]" 2
753 1 70 MET HA 1 72 GLU H 5.000 . 5.300 3.954 3.852 4.295 . 0 0 "[ . 1 .]" 2
754 1 70 MET HA 1 73 CYS H 4.000 . 4.300 3.371 3.179 3.660 . 0 0 "[ . 1 .]" 2
755 1 70 MET HA 1 73 CYS HB3 3.000 . 3.300 3.448 3.339 3.603 0.303 12 0 "[ . 1 .]" 2
756 1 71 LEU HA 1 72 GLU H 4.000 . 4.300 3.526 3.512 3.566 . 0 0 "[ . 1 .]" 2
757 1 71 LEU H 1 72 GLU H 3.000 . 3.300 2.635 2.534 2.714 . 0 0 "[ . 1 .]" 2
758 1 71 LEU HA 1 74 VAL MG1 3.000 . 3.300 2.150 2.023 2.241 . 0 0 "[ . 1 .]" 2
759 1 71 LEU QD 1 82 SER HA 5.000 . 5.300 4.009 3.589 4.145 . 0 0 "[ . 1 .]" 2
760 1 71 LEU QD 1 82 SER QB 4.000 . 4.300 2.081 1.869 2.214 . 0 0 "[ . 1 .]" 2
761 1 71 LEU QD 1 83 ARG H 5.000 . 5.300 3.376 2.982 3.636 . 0 0 "[ . 1 .]" 2
762 1 72 GLU H 1 73 CYS H 3.000 . 3.300 2.413 2.311 2.516 . 0 0 "[ . 1 .]" 2
763 1 72 GLU HA 1 73 CYS H 4.000 . 4.300 3.298 3.201 3.363 . 0 0 "[ . 1 .]" 2
764 1 72 GLU QB 1 73 CYS H 4.000 . 4.300 3.269 3.122 3.401 . 0 0 "[ . 1 .]" 2
765 1 72 GLU HA 1 78 LEU MD2 3.000 . 3.300 3.007 2.283 3.357 0.057 4 0 "[ . 1 .]" 2
766 1 73 CYS HA 1 74 VAL H 5.000 . 5.300 3.243 3.171 3.306 . 0 0 "[ . 1 .]" 2
767 1 73 CYS H 1 74 VAL H 4.000 . 4.300 2.532 2.467 2.597 . 0 0 "[ . 1 .]" 2
768 1 74 VAL HA 1 75 THR H 3.000 . 3.300 2.450 2.382 2.556 . 0 0 "[ . 1 .]" 2
769 1 74 VAL HB 1 75 THR H 4.000 . 4.300 2.444 2.285 2.557 . 0 0 "[ . 1 .]" 2
770 1 74 VAL MG2 1 75 THR H 5.000 . 5.300 3.388 3.199 3.557 . 0 0 "[ . 1 .]" 2
771 1 74 VAL MG1 1 75 THR H 4.000 . 4.300 3.756 3.617 3.834 . 0 0 "[ . 1 .]" 2
772 1 74 VAL HB 1 76 ALA H 4.000 . 4.300 2.825 2.655 3.010 . 0 0 "[ . 1 .]" 2
773 1 74 VAL MG2 1 76 ALA H 5.000 . 5.300 2.852 2.467 3.160 . 0 0 "[ . 1 .]" 2
774 1 75 THR H 1 76 ALA H 4.000 . 4.300 2.455 2.391 2.550 . 0 0 "[ . 1 .]" 2
775 1 75 THR HA 1 76 ALA H 4.000 . 4.300 3.554 3.498 3.605 . 0 0 "[ . 1 .]" 2
776 1 75 THR HB 1 76 ALA H 5.000 . 5.300 3.223 2.985 3.747 . 0 0 "[ . 1 .]" 2
777 1 75 THR MG 1 76 ALA H 5.000 . 5.300 4.053 3.845 4.371 . 0 0 "[ . 1 .]" 2
778 1 75 THR HB 1 104 ARG QG 5.000 . 5.300 4.545 2.483 5.119 . 0 0 "[ . 1 .]" 2
779 1 75 THR HB 1 104 ARG QD 5.000 . 5.300 3.510 2.618 4.219 . 0 0 "[ . 1 .]" 2
780 1 75 THR HB 1 104 ARG HE 5.000 . 5.300 5.272 5.071 5.593 0.293 13 0 "[ . 1 .]" 2
781 1 75 THR MG 1 104 ARG QD 4.000 . 4.300 2.886 2.174 4.035 . 0 0 "[ . 1 .]" 2
782 1 75 THR MG 1 104 ARG HE 5.000 . 5.300 4.783 4.249 5.811 0.511 15 1 "[ . 1 +]" 2
783 1 75 THR HB 1 104 ARG HA 5.000 . 5.300 4.698 4.316 5.026 . 0 0 "[ . 1 .]" 2
784 1 76 ALA H 1 77 GLU H 5.000 . 5.300 4.526 4.498 4.560 . 0 0 "[ . 1 .]" 2
785 1 76 ALA HA 1 77 GLU H 3.000 . 3.300 2.640 2.574 2.696 . 0 0 "[ . 1 .]" 2
786 1 76 ALA MB 1 77 GLU H 3.000 . 3.300 2.164 2.038 2.368 . 0 0 "[ . 1 .]" 2
787 1 76 ALA H 1 78 LEU MD1 5.000 . 5.300 5.103 4.794 5.403 0.103 3 0 "[ . 1 .]" 2
788 1 76 ALA MB 1 102 PRO QB 4.000 . 4.300 2.890 2.419 3.188 . 0 0 "[ . 1 .]" 2
789 1 76 ALA MB 1 103 ASP H 5.000 . 5.300 4.370 3.919 4.752 . 0 0 "[ . 1 .]" 2
790 1 76 ALA MB 1 104 ARG H 5.000 . 5.300 3.354 3.047 3.616 . 0 0 "[ . 1 .]" 2
791 1 76 ALA MB 1 104 ARG HE 5.000 . 5.300 5.394 4.666 5.596 0.296 11 0 "[ . 1 .]" 2
792 1 76 ALA HA 1 104 ARG QB 3.000 . 3.300 3.282 2.911 3.573 0.273 15 0 "[ . 1 .]" 2
793 1 76 ALA HA 1 104 ARG QD 4.000 . 4.300 4.378 4.122 4.544 0.244 9 0 "[ . 1 .]" 2
794 1 77 GLU QB 1 78 LEU H 4.000 . 4.300 3.651 3.515 3.788 . 0 0 "[ . 1 .]" 2
795 1 78 LEU HA 1 79 LYS H 3.000 . 3.300 2.205 2.076 2.369 . 0 0 "[ . 1 .]" 2
796 1 78 LEU HA 1 79 LYS QB . . 3.300 3.914 3.868 3.975 0.675 3 15 [**+*****-******] 2
797 1 78 LEU MD1 1 79 LYS H 4.000 . 4.300 3.137 2.893 3.745 . 0 0 "[ . 1 .]" 2
798 1 78 LEU MD2 1 79 LYS H 5.000 . 5.300 3.631 3.231 3.887 . 0 0 "[ . 1 .]" 2
799 1 78 LEU MD2 1 79 LYS QB 5.000 . 5.300 4.989 4.883 5.156 . 0 0 "[ . 1 .]" 2
800 1 78 LEU HG 1 79 LYS H 5.000 . 5.300 1.998 1.761 2.343 0.039 12 0 "[ . 1 .]" 2
801 1 78 LEU MD1 1 82 SER HA 5.000 . 5.300 4.624 4.061 5.331 0.031 8 0 "[ . 1 .]" 2
802 1 78 LEU MD2 1 82 SER HA 5.000 . 5.300 5.548 5.341 5.678 0.378 14 0 "[ . 1 .]" 2
803 1 78 LEU HA 1 82 SER QB 4.000 . 4.300 3.417 3.236 3.990 . 0 0 "[ . 1 .]" 2
804 1 78 LEU HA 1 82 SER HG 4.000 . 4.300 3.313 2.220 4.006 . 0 0 "[ . 1 .]" 2
805 1 78 LEU MD2 1 82 SER HG 5.000 . 5.300 4.559 3.968 5.068 . 0 0 "[ . 1 .]" 2
806 1 78 LEU HG 1 82 SER HG 4.000 . 4.300 3.348 2.463 4.008 . 0 0 "[ . 1 .]" 2
807 1 78 LEU MD1 1 82 SER HB3 3.000 . 3.300 2.442 2.114 3.224 . 0 0 "[ . 1 .]" 2
808 1 78 LEU MD2 1 82 SER HB3 5.000 . 5.300 3.409 3.109 3.821 . 0 0 "[ . 1 .]" 2
809 1 78 LEU HG 1 83 ARG H 5.000 . 5.300 5.865 5.758 6.102 0.802 4 12 "[ **+*****- * **]" 2
810 1 79 LYS HA 1 80 PRO HD3 3.000 . 3.300 2.566 2.499 2.621 . 0 0 "[ . 1 .]" 2
811 1 79 LYS HA 1 80 PRO HD2 3.000 . 3.300 2.342 2.314 2.406 . 0 0 "[ . 1 .]" 2
812 1 79 LYS QB 1 80 PRO QD 3.000 . 3.300 2.300 2.260 2.373 . 0 0 "[ . 1 .]" 2
813 1 79 LYS HG2 1 80 PRO QD 5.000 . 5.300 3.842 3.772 4.055 . 0 0 "[ . 1 .]" 2
814 1 79 LYS QB 1 81 ASN H 3.000 . 3.300 2.450 2.363 2.529 . 0 0 "[ . 1 .]" 2
815 1 79 LYS H 1 82 SER H 3.000 . 3.300 3.415 3.260 3.505 0.205 4 0 "[ . 1 .]" 2
816 1 79 LYS H 1 82 SER HA 5.000 . 5.300 4.035 3.856 4.253 . 0 0 "[ . 1 .]" 2
817 1 79 LYS H 1 82 SER QB 4.000 . 4.300 2.020 1.727 3.081 0.073 10 0 "[ . 1 .]" 2
818 1 79 LYS H 1 82 SER HG 3.000 . 3.300 2.980 1.659 3.431 0.141 3 0 "[ . 1 .]" 2
819 1 80 PRO HA 1 81 ASN H 4.000 . 4.300 3.516 3.494 3.545 . 0 0 "[ . 1 .]" 2
820 1 80 PRO HB2 1 81 ASN H 3.000 . 3.300 3.217 3.104 3.335 0.035 3 0 "[ . 1 .]" 2
821 1 80 PRO QG 1 81 ASN H 5.000 . 5.300 2.533 2.425 2.666 . 0 0 "[ . 1 .]" 2
822 1 80 PRO QD 1 81 ASN H 4.000 . 4.300 2.864 2.754 2.980 . 0 0 "[ . 1 .]" 2
823 1 80 PRO HA 1 82 SER H 4.000 . 4.300 4.065 3.945 4.219 . 0 0 "[ . 1 .]" 2
824 1 80 PRO QD 1 82 SER H 5.000 . 5.300 4.492 4.303 4.720 . 0 0 "[ . 1 .]" 2
825 1 81 ASN H 1 82 SER H 3.000 . 3.300 2.759 2.617 2.911 . 0 0 "[ . 1 .]" 2
826 1 81 ASN HA 1 82 SER H 4.000 . 4.300 3.050 2.884 3.187 . 0 0 "[ . 1 .]" 2
827 1 81 ASN HB3 1 82 SER H 5.000 . 5.300 4.559 4.417 4.696 . 0 0 "[ . 1 .]" 2
828 1 81 ASN HB2 1 82 SER H 5.000 . 5.300 4.659 4.507 4.749 . 0 0 "[ . 1 .]" 2
829 1 81 ASN HD21 1 82 SER HA 5.000 . 5.300 4.193 3.470 5.110 . 0 0 "[ . 1 .]" 2
830 1 82 SER H 1 83 ARG H 5.000 . 5.300 4.610 4.582 4.627 . 0 0 "[ . 1 .]" 2
831 1 82 SER HA 1 83 ARG H 3.000 . 3.300 2.245 2.181 2.277 . 0 0 "[ . 1 .]" 2
832 1 82 SER HB3 1 83 ARG H 3.000 . 3.300 3.276 2.972 3.468 0.168 8 0 "[ . 1 .]" 2
833 1 82 SER HA 1 83 ARG QG 5.000 . 5.300 4.036 3.554 4.758 . 0 0 "[ . 1 .]" 2
834 1 83 ARG HE 1 84 LEU H 5.000 . 5.300 4.922 4.126 5.761 0.461 3 0 "[ . 1 .]" 2
835 1 83 ARG QG 1 88 ILE MD 4.000 . 4.300 3.404 2.622 4.187 . 0 0 "[ . 1 .]" 2
836 1 83 ARG HE 1 88 ILE MD 5.000 . 5.300 4.067 2.194 4.814 . 0 0 "[ . 1 .]" 2
837 1 83 ARG QH2 1 88 ILE MD 4.000 . 4.300 4.457 2.671 5.689 1.389 15 8 "[** .*- *1** +]" 2
838 1 87 GLN HA 1 88 ILE H 3.000 . 3.300 3.105 3.037 3.165 . 0 0 "[ . 1 .]" 2
839 1 87 GLN QB 1 88 ILE H 4.000 . 4.300 3.701 3.495 3.976 . 0 0 "[ . 1 .]" 2
840 1 88 ILE HA 1 89 ILE H 3.000 . 3.300 2.153 2.122 2.188 . 0 0 "[ . 1 .]" 2
841 1 88 ILE HA 1 89 ILE MD 4.000 . 4.300 3.756 3.180 4.492 0.192 6 0 "[ . 1 .]" 2
842 1 89 ILE HA 1 90 MET H 3.000 . 3.300 2.181 2.136 2.234 . 0 0 "[ . 1 .]" 2
843 1 89 ILE MD 1 90 MET H 4.000 . 4.300 3.913 3.594 4.139 . 0 0 "[ . 1 .]" 2
844 1 89 ILE MG 1 90 MET HA 5.000 . 5.300 4.002 3.818 4.143 . 0 0 "[ . 1 .]" 2
845 1 89 ILE MG 1 90 MET H 5.000 . 5.300 2.926 2.847 3.004 . 0 0 "[ . 1 .]" 2
846 1 90 MET H 1 91 THR H 4.000 . 4.300 4.635 4.621 4.664 0.364 13 0 "[ . 1 .]" 2
847 1 90 MET HA 1 91 THR H 3.000 . 3.300 2.319 2.277 2.359 . 0 0 "[ . 1 .]" 2
848 1 90 MET QB 1 91 THR H 5.000 . 5.300 3.237 3.137 3.418 . 0 0 "[ . 1 .]" 2
849 1 90 MET QG 1 91 THR H 5.000 . 5.300 1.923 1.757 2.193 0.043 14 0 "[ . 1 .]" 2
850 1 90 MET ME 1 91 THR H 4.000 . 4.300 2.143 1.729 2.584 0.071 13 0 "[ . 1 .]" 2
851 1 90 MET HA 1 94 LEU HB2 4.000 . 4.400 4.270 3.944 4.718 0.318 8 0 "[ . 1 .]" 2
852 1 90 MET ME 1 94 LEU HA 5.000 . 5.400 4.107 3.777 4.436 . 0 0 "[ . 1 .]" 2
853 1 90 MET ME 1 94 LEU H 5.000 . 5.400 3.976 3.528 4.358 . 0 0 "[ . 1 .]" 2
854 1 90 MET ME 1 94 LEU HB2 4.000 . 4.400 2.442 2.050 2.991 . 0 0 "[ . 1 .]" 2
855 1 90 MET ME 1 94 LEU HB3 4.000 . 4.400 2.273 2.053 2.491 . 0 0 "[ . 1 .]" 2
856 1 90 MET ME 1 95 ASP HA 4.000 . 4.400 3.341 2.733 3.958 . 0 0 "[ . 1 .]" 2
857 1 90 MET ME 1 96 GLY H 4.000 . 4.300 4.214 3.895 4.668 0.368 4 0 "[ . 1 .]" 2
858 1 90 MET ME 1 97 ILE H 5.000 . 5.300 3.340 3.084 3.709 . 0 0 "[ . 1 .]" 2
859 1 90 MET ME 1 97 ILE HG13 5.000 . 5.300 3.663 2.576 4.466 . 0 0 "[ . 1 .]" 2
860 1 90 MET ME 1 97 ILE MG 4.000 . 4.300 2.065 1.911 2.451 . 0 0 "[ . 1 .]" 2
861 1 90 MET ME 1 97 ILE MD 5.000 . 5.300 3.271 2.111 3.889 . 0 0 "[ . 1 .]" 2
862 1 91 THR H 1 92 PRO QD 5.000 . 5.300 4.319 4.284 4.343 . 0 0 "[ . 1 .]" 2
863 1 91 THR HA 1 92 PRO HD2 3.000 . 3.300 2.300 2.273 2.332 . 0 0 "[ . 1 .]" 2
864 1 91 THR HA 1 92 PRO HD3 3.000 . 3.300 2.505 2.428 2.567 . 0 0 "[ . 1 .]" 2
865 1 91 THR HA 1 92 PRO HB3 5.000 . 5.300 5.125 5.080 5.183 . 0 0 "[ . 1 .]" 2
866 1 91 THR HB 1 92 PRO HD2 3.000 . 3.300 2.349 2.315 2.443 . 0 0 "[ . 1 .]" 2
867 1 91 THR HB 1 92 PRO QG 5.000 . 5.300 3.727 3.637 3.956 . 0 0 "[ . 1 .]" 2
868 1 91 THR MG 1 92 PRO HD2 4.000 . 4.300 3.059 2.647 3.847 . 0 0 "[ . 1 .]" 2
869 1 91 THR HB 1 93 GLU H 3.000 . 3.300 3.044 2.942 3.540 0.240 7 0 "[ . 1 .]" 2
870 1 91 THR H 1 93 GLU H 5.000 . 5.300 5.319 5.251 5.369 0.069 2 0 "[ . 1 .]" 2
871 1 91 THR MG 1 93 GLU H 4.000 . 4.300 4.548 4.474 4.653 0.353 13 0 "[ . 1 .]" 2
872 1 91 THR H 1 94 LEU H 5.000 . 5.300 3.906 3.846 3.956 . 0 0 "[ . 1 .]" 2
873 1 91 THR HB 1 94 LEU H 5.000 . 5.300 3.479 3.265 4.029 . 0 0 "[ . 1 .]" 2
874 1 91 THR H 1 94 LEU HB3 4.000 . 4.300 4.028 3.735 4.111 . 0 0 "[ . 1 .]" 2
875 1 91 THR H 1 94 LEU HB2 5.000 . 5.300 2.949 2.574 3.564 . 0 0 "[ . 1 .]" 2
876 1 91 THR H 1 94 LEU MD2 5.000 . 5.300 5.427 4.633 5.688 0.388 11 0 "[ . 1 .]" 2
877 1 92 PRO HA 1 93 GLU H 5.000 . 5.300 3.578 3.563 3.590 . 0 0 "[ . 1 .]" 2
878 1 92 PRO QD 1 93 GLU QG 4.000 . 4.300 3.469 3.313 4.096 . 0 0 "[ . 1 .]" 2
879 1 92 PRO QD 1 93 GLU H 4.000 . 4.300 3.036 2.934 3.105 . 0 0 "[ . 1 .]" 2
880 1 92 PRO QB 1 93 GLU H 5.000 . 5.300 2.937 2.855 3.018 . 0 0 "[ . 1 .]" 2
881 1 92 PRO HA 1 94 LEU H 5.000 . 5.300 4.201 4.069 4.313 . 0 0 "[ . 1 .]" 2
882 1 92 PRO HA 1 95 ASP HB2 5.000 . 5.300 4.419 4.166 4.637 . 0 0 "[ . 1 .]" 2
883 1 93 GLU H 1 94 LEU H 3.000 . 3.200 2.732 2.617 2.828 . 0 0 "[ . 1 .]" 2
884 1 93 GLU HA 1 94 LEU H 4.000 . 4.300 3.528 3.484 3.570 . 0 0 "[ . 1 .]" 2
885 1 93 GLU QB 1 94 LEU H 3.000 . 3.300 3.327 3.090 3.415 0.115 13 0 "[ . 1 .]" 2
886 1 93 GLU QG 1 94 LEU H 5.000 . 5.300 2.031 1.837 2.761 . 0 0 "[ . 1 .]" 2
887 1 93 GLU QG 1 94 LEU MD2 5.000 . 5.300 3.939 2.952 4.614 . 0 0 "[ . 1 .]" 2
888 1 94 LEU HA 1 95 ASP H 4.000 . 4.300 3.089 3.027 3.174 . 0 0 "[ . 1 .]" 2
889 1 94 LEU MD2 1 95 ASP H 5.000 . 5.300 4.550 4.202 5.529 0.229 8 0 "[ . 1 .]" 2
890 1 95 ASP HA 1 96 GLY H 3.000 . 3.300 2.222 2.194 2.265 . 0 0 "[ . 1 .]" 2
891 1 95 ASP HB2 1 96 GLY H 4.000 . 4.300 3.106 3.052 3.167 . 0 0 "[ . 1 .]" 2
892 1 95 ASP HB3 1 96 GLY H 5.000 . 5.300 4.145 4.075 4.223 . 0 0 "[ . 1 .]" 2
893 1 95 ASP HA 1 97 ILE H 4.000 . 4.300 3.281 3.228 3.347 . 0 0 "[ . 1 .]" 2
894 1 96 GLY H 1 97 ILE H 3.000 . 3.300 2.190 2.082 2.271 . 0 0 "[ . 1 .]" 2
895 1 96 GLY H 1 97 ILE HB 5.000 . 5.300 4.658 4.406 4.866 . 0 0 "[ . 1 .]" 2
896 1 96 GLY H 1 97 ILE MG 5.000 . 5.300 3.136 2.679 3.488 . 0 0 "[ . 1 .]" 2
897 1 96 GLY HA2 1 97 ILE H 4.000 . 4.300 3.275 3.229 3.305 . 0 0 "[ . 1 .]" 2
898 1 96 GLY HA3 1 97 ILE H 4.000 . 4.300 3.252 3.208 3.285 . 0 0 "[ . 1 .]" 2
899 1 97 ILE H 1 98 VAL H 5.000 . 5.300 4.632 4.603 4.662 . 0 0 "[ . 1 .]" 2
900 1 97 ILE HA 1 98 VAL H 3.000 . 3.300 2.176 2.147 2.195 . 0 0 "[ . 1 .]" 2
901 1 97 ILE HB 1 98 VAL H 5.000 . 5.300 4.111 3.980 4.221 . 0 0 "[ . 1 .]" 2
902 1 97 ILE QG 1 98 VAL H 4.000 . 4.300 2.918 2.283 3.565 . 0 0 "[ . 1 .]" 2
903 1 97 ILE MG 1 98 VAL H 5.000 . 5.300 4.056 3.838 4.345 . 0 0 "[ . 1 .]" 2
904 1 97 ILE MD 1 98 VAL H 4.000 . 4.300 2.844 2.025 4.267 . 0 0 "[ . 1 .]" 2
905 1 98 VAL HA 1 99 VAL H 3.000 . 3.300 2.208 2.190 2.234 . 0 0 "[ . 1 .]" 2
906 1 98 VAL HA 1 99 VAL MG2 5.000 . 5.300 3.412 3.361 3.482 . 0 0 "[ . 1 .]" 2
907 1 98 VAL HB 1 99 VAL H 5.000 . 5.300 4.207 4.142 4.261 . 0 0 "[ . 1 .]" 2
908 1 98 VAL MG1 1 99 VAL H 4.000 . 4.300 3.012 2.918 3.176 . 0 0 "[ . 1 .]" 2
909 1 98 VAL MG2 1 99 VAL H 5.000 . 5.300 4.313 4.223 4.364 . 0 0 "[ . 1 .]" 2
910 1 99 VAL H 1 100 ASP H 5.000 2.800 5.300 4.411 4.400 4.423 . 0 0 "[ . 1 .]" 2
911 1 99 VAL HA 1 100 ASP H 3.000 . 3.300 2.162 2.148 2.176 . 0 0 "[ . 1 .]" 2
912 1 99 VAL HB 1 100 ASP H 3.000 . 3.300 3.965 3.926 4.002 0.702 12 15 [-**********+***] 2
913 1 99 VAL MG1 1 100 ASP H 4.000 . 4.300 2.798 2.742 2.864 . 0 0 "[ . 1 .]" 2
914 1 100 ASP HA 1 101 VAL H 3.000 . 3.300 2.127 2.108 2.152 . 0 0 "[ . 1 .]" 2
915 1 100 ASP HA 1 101 VAL HB 5.000 . 5.300 4.723 4.632 4.808 . 0 0 "[ . 1 .]" 2
916 1 100 ASP HA 1 101 VAL MG2 4.000 . 4.300 3.439 3.318 3.564 . 0 0 "[ . 1 .]" 2
917 1 100 ASP QB 1 101 VAL H 4.000 . 4.300 3.512 3.469 3.579 . 0 0 "[ . 1 .]" 2
918 1 100 ASP HB2 1 101 VAL H 4.000 . 4.300 4.517 4.496 4.550 0.250 8 0 "[ . 1 .]" 2
919 1 101 VAL H 1 102 PRO QD 5.000 . 5.300 4.366 4.293 4.566 . 0 0 "[ . 1 .]" 2
920 1 101 VAL MG1 1 102 PRO HD2 4.000 . 4.300 2.195 2.042 2.428 . 0 0 "[ . 1 .]" 2
921 1 101 VAL MG2 1 102 PRO HD2 5.000 . 5.300 4.017 3.825 4.390 . 0 0 "[ . 1 .]" 2
922 1 101 VAL MG1 1 102 PRO HD3 5.000 . 5.300 3.295 2.298 3.538 . 0 0 "[ . 1 .]" 2
923 1 101 VAL MG2 1 102 PRO HD3 5.000 . 5.300 4.320 3.964 4.438 . 0 0 "[ . 1 .]" 2
924 1 101 VAL HA 1 102 PRO HD2 3.000 . 3.300 2.419 2.324 3.222 . 0 0 "[ . 1 .]" 2
925 1 101 VAL HA 1 102 PRO HD3 3.000 . 3.300 2.270 2.083 2.313 . 0 0 "[ . 1 .]" 2
926 1 102 PRO HA 1 103 ASP H 3.000 . 3.300 2.570 2.524 2.627 . 0 0 "[ . 1 .]" 2
927 1 102 PRO QB 1 103 ASP H 4.000 . 4.300 2.081 1.971 2.296 . 0 0 "[ . 1 .]" 2
928 1 102 PRO HA 1 104 ARG H 4.000 . 4.300 4.100 3.999 4.150 . 0 0 "[ . 1 .]" 2
929 1 102 PRO QB 1 104 ARG H 5.000 . 5.300 2.057 1.976 2.192 . 0 0 "[ . 1 .]" 2
930 1 102 PRO HB3 1 105 GLN HA 5.000 . 5.300 5.741 5.554 6.015 0.715 14 2 "[ - 1 +.]" 2
931 1 103 ASP H 1 104 ARG H 4.000 . 4.300 2.187 2.065 2.304 . 0 0 "[ . 1 .]" 2
932 1 103 ASP HA 1 104 ARG H 4.000 . 4.300 3.412 3.377 3.450 . 0 0 "[ . 1 .]" 2
933 1 103 ASP QB 1 104 ARG H 4.000 . 4.300 3.191 2.926 3.669 . 0 0 "[ . 1 .]" 2
934 1 103 ASP HA 1 104 ARG HE 5.000 . 5.300 5.493 5.377 5.601 0.301 6 0 "[ . 1 .]" 2
935 1 104 ARG HA 1 105 GLN H 3.000 . 3.300 2.271 2.218 2.329 . 0 0 "[ . 1 .]" 2
936 1 104 ARG H 1 105 GLN HA 4.000 . 4.300 4.736 4.644 4.835 0.535 6 2 "[ -+ 1 .]" 2
937 1 104 ARG QG 1 105 GLN H 5.000 . 5.300 4.594 3.388 4.763 . 0 0 "[ . 1 .]" 2
938 1 105 GLN HA 1 106 TRP H 4.000 . 4.300 3.392 3.281 3.522 . 0 0 "[ . 1 .]" 2
939 1 105 GLN H 1 106 TRP H 3.000 . 3.300 1.806 1.674 2.015 . 0 0 "[ . 1 .]" 2
940 1 2 LYS H 1 2 LYS HB3 3.000 . 3.300 3.431 3.373 3.479 0.179 6 0 "[ . 1 .]" 2
941 1 2 LYS H 1 2 LYS HB2 3.000 . 3.300 2.132 2.094 2.180 . 0 0 "[ . 1 .]" 2
942 1 2 LYS H 1 2 LYS QG 4.000 . 4.300 3.135 3.016 3.257 . 0 0 "[ . 1 .]" 2
943 1 2 LYS H 1 2 LYS QD 5.000 . 5.300 4.448 4.410 4.487 . 0 0 "[ . 1 .]" 2
944 1 2 LYS H 1 2 LYS QE 5.000 . 5.300 5.232 5.106 5.386 0.086 4 0 "[ . 1 .]" 2
945 1 3 VAL H 1 3 VAL HB 4.000 . 4.300 2.316 2.247 2.447 . 0 0 "[ . 1 .]" 2
946 1 3 VAL H 1 3 VAL MG1 4.000 . 4.300 3.609 3.431 3.787 . 0 0 "[ . 1 .]" 2
947 1 3 VAL H 1 3 VAL MG2 3.000 . 3.300 3.022 2.737 3.351 0.051 10 0 "[ . 1 .]" 2
948 1 3 VAL HA 1 3 VAL MG1 3.000 . 3.300 2.632 2.517 2.770 . 0 0 "[ . 1 .]" 2
949 1 3 VAL HA 1 3 VAL MG2 3.000 . 3.300 2.201 2.168 2.241 . 0 0 "[ . 1 .]" 2
950 1 4 VAL H 1 4 VAL HB 3.000 . 3.300 2.515 2.315 2.869 . 0 0 "[ . 1 .]" 2
951 1 4 VAL H 1 4 VAL MG2 3.000 . 3.300 2.716 2.183 3.090 . 0 0 "[ . 1 .]" 2
952 1 4 VAL HA 1 4 VAL MG1 3.000 . 3.300 2.392 2.255 2.620 . 0 0 "[ . 1 .]" 2
953 1 4 VAL HA 1 4 VAL MG2 3.000 . 3.300 2.316 2.248 2.578 . 0 0 "[ . 1 .]" 2
954 1 5 TYR HA 1 5 TYR QD 4.000 . 4.300 2.748 2.594 3.003 . 0 0 "[ . 1 .]" 2
955 1 5 TYR H 1 5 TYR HB2 4.000 . 4.300 2.475 2.416 2.586 . 0 0 "[ . 1 .]" 2
956 1 5 TYR H 1 5 TYR HB3 4.000 . 4.300 3.695 3.658 3.754 . 0 0 "[ . 1 .]" 2
957 1 5 TYR HB2 1 5 TYR QD 3.000 . 3.300 2.372 2.333 2.452 . 0 0 "[ . 1 .]" 2
958 1 5 TYR HB3 1 5 TYR QD 3.000 . 3.300 2.473 2.380 2.526 . 0 0 "[ . 1 .]" 2
959 1 6 VAL H 1 6 VAL HB 3.000 . 3.300 2.655 2.445 2.798 . 0 0 "[ . 1 .]" 2
960 1 6 VAL HA 1 6 VAL MG1 3.000 . 3.300 2.299 2.236 2.386 . 0 0 "[ . 1 .]" 2
961 1 6 VAL HA 1 6 VAL MG2 3.000 . 3.300 2.400 2.251 2.520 . 0 0 "[ . 1 .]" 2
962 1 6 VAL H 1 6 VAL MG2 3.000 . 3.300 2.407 2.176 2.694 . 0 0 "[ . 1 .]" 2
963 1 6 VAL H 1 6 VAL MG1 4.000 . 4.300 3.856 3.773 3.884 . 0 0 "[ . 1 .]" 2
964 1 7 SER H 1 7 SER HB3 3.000 . 3.300 2.487 2.335 2.755 . 0 0 "[ . 1 .]" 2
965 1 8 HIS HA 1 8 HIS HD1 3.000 . 3.300 3.244 3.151 3.415 0.115 4 0 "[ . 1 .]" 2
966 1 8 HIS HB2 1 8 HIS HD2 4.000 . 4.300 2.757 2.748 2.766 . 0 0 "[ . 1 .]" 2
967 1 8 HIS HA 1 8 HIS HD2 5.000 . 5.200 5.119 5.092 5.132 . 0 0 "[ . 1 .]" 2
968 1 9 ASP H 1 9 ASP HB3 3.000 . 3.300 2.841 2.650 2.930 . 0 0 "[ . 1 .]" 2
969 1 9 ASP H 1 9 ASP HB2 4.000 . 4.300 3.574 3.543 3.637 . 0 0 "[ . 1 .]" 2
970 1 10 GLY H 1 10 GLY HA3 3.000 . 3.300 2.977 2.969 2.983 . 0 0 "[ . 1 .]" 2
971 1 10 GLY H 1 10 GLY HA2 3.000 . 3.300 2.410 2.397 2.419 . 0 0 "[ . 1 .]" 2
972 1 11 THR HA 1 11 THR MG 3.000 . 3.300 3.127 3.073 3.160 . 0 0 "[ . 1 .]" 2
973 1 11 THR H 1 11 THR MG 4.000 . 4.300 2.900 2.613 3.133 . 0 0 "[ . 1 .]" 2
974 1 11 THR H 1 11 THR HB 3.000 . 3.300 2.203 2.103 2.282 . 0 0 "[ . 1 .]" 2
975 1 12 ARG H 1 12 ARG QB 3.000 . 3.300 2.683 2.483 3.076 . 0 0 "[ . 1 .]" 2
976 1 13 ARG H 1 13 ARG QB 3.000 . 3.300 2.615 2.355 3.230 . 0 0 "[ . 1 .]" 2
977 1 13 ARG H 1 13 ARG QD 5.000 . 5.300 4.447 3.580 5.000 . 0 0 "[ . 1 .]" 2
978 1 13 ARG H 1 13 ARG QG 4.000 . 4.300 3.904 2.079 4.232 . 0 0 "[ . 1 .]" 2
979 1 13 ARG HA 1 13 ARG QD 4.000 . 4.300 3.299 2.408 4.319 0.019 9 0 "[ . 1 .]" 2
980 1 14 GLU H 1 14 GLU QG 4.000 . 4.300 2.458 2.071 2.933 . 0 0 "[ . 1 .]" 2
981 1 15 LEU H 1 15 LEU HB3 4.000 . 4.300 3.813 3.145 3.893 . 0 0 "[ . 1 .]" 2
982 1 15 LEU H 1 15 LEU HG 4.000 . 4.300 2.373 2.144 4.404 0.104 8 0 "[ . 1 .]" 2
983 1 15 LEU HA 1 15 LEU HG 4.000 . 4.300 3.397 2.139 3.562 . 0 0 "[ . 1 .]" 2
984 1 15 LEU QB 1 15 LEU MD1 3.000 . 3.300 2.035 2.013 2.132 . 0 0 "[ . 1 .]" 2
985 1 15 LEU H 1 15 LEU MD1 5.000 . 5.300 3.868 3.699 3.977 . 0 0 "[ . 1 .]" 2
986 1 15 LEU QB 1 15 LEU MD2 3.000 . 3.300 2.317 2.091 2.375 . 0 0 "[ . 1 .]" 2
987 1 15 LEU H 1 15 LEU MD2 5.000 . 5.300 3.146 2.917 4.532 . 0 0 "[ . 1 .]" 2
988 1 16 ASP H 1 16 ASP HB3 3.000 . 3.300 3.071 2.594 3.593 0.293 10 0 "[ . 1 .]" 2
989 1 16 ASP H 1 16 ASP HB2 3.000 . 3.300 2.696 2.343 3.574 0.274 11 0 "[ . 1 .]" 2
990 1 17 VAL H 1 17 VAL HB 3.000 . 3.300 2.703 2.623 2.856 . 0 0 "[ . 1 .]" 2
991 1 17 VAL H 1 17 VAL MG2 3.000 . 3.300 2.346 2.142 2.494 . 0 0 "[ . 1 .]" 2
992 1 17 VAL HA 1 17 VAL MG2 3.000 . 3.300 2.425 2.355 2.568 . 0 0 "[ . 1 .]" 2
993 1 18 ALA H 1 18 ALA MB 3.000 . 3.300 2.176 2.120 2.237 . 0 0 "[ . 1 .]" 2
994 1 19 ASP H 1 19 ASP HB3 4.000 . 4.300 2.650 2.468 2.739 . 0 0 "[ . 1 .]" 2
995 1 19 ASP H 1 19 ASP HB2 3.000 . 3.300 3.587 3.574 3.602 0.302 3 0 "[ . 1 .]" 2
996 1 21 VAL H 1 21 VAL HB 3.000 . 3.300 2.482 2.446 2.524 . 0 0 "[ . 1 .]" 2
997 1 21 VAL H 1 21 VAL QG 3.000 . 3.300 2.286 2.168 2.390 . 0 0 "[ . 1 .]" 2
998 1 21 VAL HA 1 21 VAL QG . . 3.300 2.124 2.104 2.135 . 0 0 "[ . 1 .]" 2
999 1 23 LEU H 1 23 LEU HG 4.000 . 4.300 2.379 1.896 3.594 . 0 0 "[ . 1 .]" 2
1000 1 23 LEU H 1 23 LEU MD1 4.000 . 4.300 3.483 3.318 3.955 . 0 0 "[ . 1 .]" 2
1001 1 23 LEU HA 1 23 LEU MD1 4.000 . 4.300 3.701 2.294 3.835 . 0 0 "[ . 1 .]" 2
1002 1 23 LEU HA 1 23 LEU MD2 4.000 . 4.300 2.148 2.059 2.203 . 0 0 "[ . 1 .]" 2
1003 1 26 ALA H 1 26 ALA MB 3.000 . 3.300 2.230 2.177 2.275 . 0 0 "[ . 1 .]" 2
1004 1 28 VAL H 1 28 VAL HB 4.000 . 4.300 2.451 2.290 2.521 . 0 0 "[ . 1 .]" 2
1005 1 30 ASN H 1 30 ASN HB2 3.000 . 3.300 2.377 2.281 2.442 . 0 0 "[ . 1 .]" 2
1006 1 30 ASN H 1 30 ASN HB3 3.000 . 3.300 3.624 3.567 3.668 0.368 2 0 "[ . 1 .]" 2
1007 1 30 ASN HA 1 30 ASN HD21 3.000 . 3.300 3.322 3.146 3.417 0.117 14 0 "[ . 1 .]" 2
1008 1 30 ASN HA 1 30 ASN HD22 5.000 . 5.300 3.929 3.830 3.954 . 0 0 "[ . 1 .]" 2
1009 1 31 GLY H 1 31 GLY HA3 3.000 . 3.300 2.852 2.802 2.879 . 0 0 "[ . 1 .]" 2
1010 1 31 GLY H 1 31 GLY HA2 3.000 . 3.300 2.346 2.338 2.352 . 0 0 "[ . 1 .]" 2
1011 1 32 ILE HA 1 32 ILE MD 4.000 . 4.300 3.758 3.578 3.877 . 0 0 "[ . 1 .]" 2
1012 1 32 ILE HA 1 32 ILE MG 3.000 . 3.300 2.372 2.282 2.468 . 0 0 "[ . 1 .]" 2
1013 1 32 ILE H 1 32 ILE HB 3.000 . 3.300 2.571 2.405 2.790 . 0 0 "[ . 1 .]" 2
1014 1 32 ILE H 1 32 ILE QG 4.000 . 4.300 2.590 2.291 2.906 . 0 0 "[ . 1 .]" 2
1015 1 32 ILE H 1 32 ILE MD 5.000 . 5.300 3.816 3.522 4.138 . 0 0 "[ . 1 .]" 2
1016 1 34 ASP H 1 34 ASP HB3 4.000 . 4.300 2.679 2.508 2.816 . 0 0 "[ . 1 .]" 2
1017 1 34 ASP H 1 34 ASP HB2 4.000 . 4.300 3.591 3.567 3.627 . 0 0 "[ . 1 .]" 2
1018 1 49 HIS HA 1 49 HIS HD2 5.000 . 5.300 4.786 4.530 4.875 . 0 0 "[ . 1 .]" 2
1019 1 49 HIS HA 1 49 HIS HE1 5.000 . 5.300 5.082 4.793 5.374 0.074 14 0 "[ . 1 .]" 2
1020 1 50 VAL H 1 50 VAL MG2 4.000 . 4.300 2.702 2.594 2.794 . 0 0 "[ . 1 .]" 2
1021 1 50 VAL H 1 50 VAL MG1 4.000 . 4.300 2.592 2.481 2.753 . 0 0 "[ . 1 .]" 2
1022 1 51 TYR H 1 51 TYR HB2 3.000 . 3.300 2.460 2.429 2.495 . 0 0 "[ . 1 .]" 2
1023 1 51 TYR H 1 51 TYR HB3 4.000 . 4.300 3.676 3.656 3.694 . 0 0 "[ . 1 .]" 2
1024 1 51 TYR H 1 51 TYR QD 3.000 . 3.300 2.972 2.702 3.312 0.012 15 0 "[ . 1 .]" 2
1025 1 51 TYR HA 1 51 TYR QD 3.000 . 3.300 2.561 2.258 2.753 . 0 0 "[ . 1 .]" 2
1026 1 52 VAL H 1 52 VAL HB 3.000 . 3.300 2.597 2.500 2.770 . 0 0 "[ . 1 .]" 2
1027 1 52 VAL H 1 52 VAL MG2 3.000 . 3.300 2.373 2.091 2.584 . 0 0 "[ . 1 .]" 2
1028 1 52 VAL H 1 52 VAL MG1 4.000 . 4.300 3.843 3.823 3.868 . 0 0 "[ . 1 .]" 2
1029 1 52 VAL HA 1 52 VAL MG2 3.000 . 3.300 2.455 2.371 2.574 . 0 0 "[ . 1 .]" 2
1030 1 52 VAL HA 1 52 VAL MG1 3.000 . 3.300 2.318 2.254 2.376 . 0 0 "[ . 1 .]" 2
1031 1 53 ASN H 1 53 ASN HB3 3.000 . 3.300 2.641 2.222 3.482 0.182 2 0 "[ . 1 .]" 2
1032 1 53 ASN H 1 53 ASN HB2 3.000 . 3.300 2.910 2.111 3.637 0.337 14 0 "[ . 1 .]" 2
1033 1 54 GLU H 1 54 GLU QG 4.000 . 4.300 2.084 1.880 2.885 . 0 0 "[ . 1 .]" 2
1034 1 56 PHE H 1 56 PHE HB3 4.000 . 4.300 3.637 3.590 3.680 . 0 0 "[ . 1 .]" 2
1035 1 56 PHE H 1 56 PHE HB2 4.000 . 4.200 2.393 2.315 2.469 . 0 0 "[ . 1 .]" 2
1036 1 57 THR H 1 57 THR HB 4.000 . 4.300 3.614 3.597 3.625 . 0 0 "[ . 1 .]" 2
1037 1 57 THR H 1 57 THR MG 3.000 . 3.300 2.367 2.133 2.475 . 0 0 "[ . 1 .]" 2
1038 1 57 THR HA 1 57 THR MG 3.000 . 3.300 2.257 2.222 2.346 . 0 0 "[ . 1 .]" 2
1039 1 59 LYS HA 1 59 LYS QG 3.000 . 3.300 2.727 2.485 3.160 . 0 0 "[ . 1 .]" 2
1040 1 59 LYS HB3 1 59 LYS QE 4.000 . 4.300 2.857 2.075 4.082 . 0 0 "[ . 1 .]" 2
1041 1 59 LYS H 1 59 LYS HB3 4.000 . 4.300 3.713 3.663 3.767 . 0 0 "[ . 1 .]" 2
1042 1 59 LYS H 1 59 LYS HB2 3.000 . 3.300 2.751 2.650 2.861 . 0 0 "[ . 1 .]" 2
1043 1 59 LYS H 1 59 LYS QG 3.000 . 3.300 2.168 2.008 2.386 . 0 0 "[ . 1 .]" 2
1044 1 59 LYS H 1 59 LYS QD 5.000 2.800 5.300 3.821 3.045 4.236 . 0 0 "[ . 1 .]" 2
1045 1 60 VAL H 1 60 VAL HB 3.000 . 3.300 2.092 2.058 2.129 . 0 0 "[ . 1 .]" 2
1046 1 60 VAL H 1 60 VAL QG 3.000 . 3.300 2.885 2.714 2.969 . 0 0 "[ . 1 .]" 2
1047 1 63 ALA H 1 63 ALA MB 3.000 . 3.300 2.196 2.039 2.273 . 0 0 "[ . 1 .]" 2
1048 1 65 GLU H 1 65 GLU QB 3.000 . 3.300 2.469 2.380 2.653 . 0 0 "[ . 1 .]" 2
1049 1 65 GLU H 1 65 GLU QG 4.000 . 4.300 2.119 1.899 2.612 . 0 0 "[ . 1 .]" 2
1050 1 66 ARG H 1 66 ARG HB3 3.000 . 3.300 3.591 3.535 3.642 0.342 12 0 "[ . 1 .]" 2
1051 1 66 ARG H 1 66 ARG HB2 3.000 . 3.300 2.561 2.265 2.949 . 0 0 "[ . 1 .]" 2
1052 1 67 GLU H 1 67 GLU QG 4.000 . 4.300 2.810 1.919 3.983 . 0 0 "[ . 1 .]" 2
1053 1 68 ILE H 1 68 ILE HB 3.000 . 3.300 2.392 2.253 2.682 . 0 0 "[ . 1 .]" 2
1054 1 68 ILE H 1 68 ILE MG . . 4.300 3.738 3.696 3.780 . 0 0 "[ . 1 .]" 2
1055 1 68 ILE H 1 68 ILE MD 5.000 . 5.300 2.047 1.703 3.526 0.097 9 0 "[ . 1 .]" 2
1056 1 68 ILE HA 1 68 ILE MG 3.000 . 3.300 2.515 2.287 2.633 . 0 0 "[ . 1 .]" 2
1057 1 68 ILE H 1 68 ILE QG 4.000 . 4.300 3.044 1.795 3.406 0.005 10 0 "[ . 1 .]" 2
1058 1 69 GLY H 1 69 GLY HA3 3.000 . 3.300 2.373 2.361 2.381 . 0 0 "[ . 1 .]" 2
1059 1 69 GLY H 1 69 GLY HA2 3.000 . 3.300 2.909 2.867 2.933 . 0 0 "[ . 1 .]" 2
1060 1 72 GLU H 1 72 GLU QG 4.000 . 4.300 3.943 3.879 4.078 . 0 0 "[ . 1 .]" 2
1061 1 74 VAL H 1 74 VAL MG1 3.000 . 3.300 2.103 2.003 2.261 . 0 0 "[ . 1 .]" 2
1062 1 75 THR H 1 75 THR MG 4.000 . 4.300 3.650 2.936 3.832 . 0 0 "[ . 1 .]" 2
1063 1 75 THR HA 1 75 THR MG 3.000 . 3.300 2.244 2.191 2.294 . 0 0 "[ . 1 .]" 2
1064 1 76 ALA H 1 76 ALA MB 3.000 . 3.300 2.200 2.150 2.275 . 0 0 "[ . 1 .]" 2
1065 1 77 GLU H 1 77 GLU QB 3.000 . 3.300 1.949 1.896 1.986 . 0 0 "[ . 1 .]" 2
1066 1 77 GLU HA 1 77 GLU QG 3.000 . 3.300 3.193 2.881 3.461 0.161 7 0 "[ . 1 .]" 2
1067 1 78 LEU HA 1 78 LEU MD1 3.000 . 3.300 2.197 2.059 2.411 . 0 0 "[ . 1 .]" 2
1068 1 78 LEU HA 1 78 LEU MD2 4.000 . 4.300 3.750 3.720 3.790 . 0 0 "[ . 1 .]" 2
1069 1 78 LEU HA 1 78 LEU HG 4.000 . 4.300 2.458 2.314 2.561 . 0 0 "[ . 1 .]" 2
1070 1 78 LEU H 1 78 LEU MD1 5.000 . 5.300 3.628 3.041 4.030 . 0 0 "[ . 1 .]" 2
1071 1 78 LEU QB 1 78 LEU MD1 3.000 . 3.300 2.199 2.158 2.264 . 0 0 "[ . 1 .]" 2
1072 1 78 LEU QB 1 78 LEU MD2 3.000 . 3.300 2.087 2.079 2.099 . 0 0 "[ . 1 .]" 2
1073 1 79 LYS HA 1 79 LYS QG 3.000 . 3.300 2.540 2.504 2.606 . 0 0 "[ . 1 .]" 2
1074 1 79 LYS HA 1 79 LYS QE 4.000 . 4.300 3.993 3.605 4.256 . 0 0 "[ . 1 .]" 2
1075 1 81 ASN H 1 81 ASN QD 5.000 . 5.300 2.623 1.852 3.918 . 0 0 "[ . 1 .]" 2
1076 1 81 ASN H 1 81 ASN QB 3.000 . 3.300 2.624 2.433 2.852 . 0 0 "[ . 1 .]" 2
1077 1 82 SER H 1 82 SER QB 3.000 . 3.300 2.078 1.971 2.386 . 0 0 "[ . 1 .]" 2
1078 1 82 SER H 1 82 SER HG 4.000 . 4.300 4.203 3.698 4.419 0.119 15 0 "[ . 1 .]" 2
1079 1 83 ARG HD3 1 83 ARG HE 3.000 . 3.300 2.608 2.374 2.862 . 0 0 "[ . 1 .]" 2
1080 1 87 GLN H 1 87 GLN QB 3.000 . 3.300 2.626 2.292 3.074 . 0 0 "[ . 1 .]" 2
1081 1 88 ILE H 1 88 ILE QG 4.000 . 4.300 2.908 2.513 3.775 . 0 0 "[ . 1 .]" 2
1082 1 88 ILE H 1 88 ILE MD 5.000 . 5.300 3.762 2.330 4.154 . 0 0 "[ . 1 .]" 2
1083 1 88 ILE HA 1 88 ILE MG 3.000 . 3.300 2.410 2.308 2.573 . 0 0 "[ . 1 .]" 2
1084 1 89 ILE H 1 89 ILE HB 3.000 . 3.300 2.391 2.228 2.578 . 0 0 "[ . 1 .]" 2
1085 1 89 ILE H 1 89 ILE QG 4.000 . 4.300 3.051 2.284 3.853 . 0 0 "[ . 1 .]" 2
1086 1 89 ILE H 1 89 ILE MG 4.000 . 4.300 3.694 3.528 3.828 . 0 0 "[ . 1 .]" 2
1087 1 89 ILE HA 1 89 ILE MG 3.000 . 3.300 2.519 2.312 2.759 . 0 0 "[ . 1 .]" 2
1088 1 89 ILE H 1 89 ILE MD 4.000 . 4.300 2.915 2.381 3.558 . 0 0 "[ . 1 .]" 2
1089 1 89 ILE HA 1 89 ILE MD 3.000 . 3.300 2.168 2.067 2.264 . 0 0 "[ . 1 .]" 2
1090 1 90 MET H 1 90 MET QB 3.000 . 3.300 2.250 2.168 2.312 . 0 0 "[ . 1 .]" 2
1091 1 90 MET HA 1 90 MET ME 4.000 . 4.300 2.223 2.166 2.261 . 0 0 "[ . 1 .]" 2
1092 1 91 THR HA 1 91 THR MG 3.000 . 3.300 2.301 2.210 2.671 . 0 0 "[ . 1 .]" 2
1093 1 91 THR H 1 91 THR MG 4.000 . 4.300 3.239 2.555 3.562 . 0 0 "[ . 1 .]" 2
1094 1 93 GLU H 1 93 GLU QB 3.000 . 3.300 2.765 2.618 3.012 . 0 0 "[ . 1 .]" 2
1095 1 93 GLU H 1 93 GLU QG 4.000 . 4.300 1.854 1.704 2.373 0.096 7 0 "[ . 1 .]" 2
1096 1 93 GLU HA 1 93 GLU QG 3.000 . 3.300 3.276 3.056 3.434 0.134 6 0 "[ . 1 .]" 2
1097 1 94 LEU H 1 94 LEU HB2 4.000 . 4.300 2.324 2.228 2.450 . 0 0 "[ . 1 .]" 2
1098 1 94 LEU H 1 94 LEU HB3 3.000 . 3.300 3.566 3.333 3.632 0.332 2 0 "[ . 1 .]" 2
1099 1 94 LEU HB2 1 94 LEU MD1 3.000 . 3.300 2.362 2.202 2.637 . 0 0 "[ . 1 .]" 2
1100 1 94 LEU HB2 1 94 LEU MD2 3.000 . 3.300 3.177 2.616 3.227 . 0 0 "[ . 1 .]" 2
1101 1 94 LEU H 1 94 LEU HG 4.000 . 4.300 3.002 2.388 4.378 0.078 8 0 "[ . 1 .]" 2
1102 1 94 LEU HA 1 94 LEU HG 4.000 . 4.300 2.849 2.216 3.408 . 0 0 "[ . 1 .]" 2
1103 1 94 LEU H 1 94 LEU MD1 4.000 . 4.300 3.826 2.981 4.020 . 0 0 "[ . 1 .]" 2
1104 1 94 LEU H 1 94 LEU MD2 4.000 . 4.300 3.725 2.922 4.421 0.121 8 0 "[ . 1 .]" 2
1105 1 94 LEU HA 1 94 LEU MD2 3.000 . 3.300 2.159 1.992 3.675 0.375 8 0 "[ . 1 .]" 2
1106 1 95 ASP H 1 95 ASP QB 3.000 . 3.300 2.471 2.409 2.520 . 0 0 "[ . 1 .]" 2
1107 1 97 ILE HA 1 97 ILE MD 4.000 . 4.300 2.943 2.199 3.719 . 0 0 "[ . 1 .]" 2
1108 1 97 ILE H 1 97 ILE HB 3.000 . 3.300 2.615 2.402 2.904 . 0 0 "[ . 1 .]" 2
1109 1 97 ILE HB 1 97 ILE MD 3.000 . 3.300 2.659 2.265 3.237 . 0 0 "[ . 1 .]" 2
1110 1 97 ILE H 1 97 ILE MG 3.000 . 3.300 2.077 1.680 2.365 0.120 1 0 "[ . 1 .]" 2
1111 1 97 ILE H 1 97 ILE MD 4.000 . 4.300 4.290 4.226 4.349 0.049 6 0 "[ . 1 .]" 2
1112 1 98 VAL H 1 98 VAL MG2 3.000 . 3.300 2.189 2.109 2.383 . 0 0 "[ . 1 .]" 2
1113 1 98 VAL H 1 98 VAL MG1 5.000 2.800 5.300 3.862 3.843 3.880 . 0 0 "[ . 1 .]" 2
1114 1 98 VAL HA 1 98 VAL MG2 3.000 . 3.300 2.496 2.395 2.537 . 0 0 "[ . 1 .]" 2
1115 1 98 VAL HA 1 98 VAL MG1 3.000 . 3.300 2.259 2.226 2.299 . 0 0 "[ . 1 .]" 2
1116 1 99 VAL H 1 99 VAL MG2 3.000 . 3.300 2.073 1.941 2.231 . 0 0 "[ . 1 .]" 2
1117 1 99 VAL H 1 99 VAL MG1 4.000 . 4.300 3.829 3.805 3.851 . 0 0 "[ . 1 .]" 2
1118 1 99 VAL HA 1 99 VAL MG2 3.000 . 3.300 2.624 2.546 2.722 . 0 0 "[ . 1 .]" 2
1119 1 99 VAL HA 1 99 VAL MG1 3.000 . 3.300 2.206 2.196 2.214 . 0 0 "[ . 1 .]" 2
1120 1 100 ASP H 1 100 ASP QB 3.000 . 3.300 2.218 2.198 2.244 . 0 0 "[ . 1 .]" 2
1121 1 101 VAL H 1 101 VAL HB 3.000 . 3.300 2.644 2.555 2.714 . 0 0 "[ . 1 .]" 2
1122 1 101 VAL H 1 101 VAL MG1 4.000 . 4.300 3.843 3.821 3.854 . 0 0 "[ . 1 .]" 2
1123 1 101 VAL HA 1 101 VAL MG2 3.000 . 3.300 2.429 2.350 2.479 . 0 0 "[ . 1 .]" 2
1124 1 101 VAL HA 1 101 VAL MG1 3.000 . 3.300 2.271 2.213 2.341 . 0 0 "[ . 1 .]" 2
1125 1 104 ARG HA 1 104 ARG QD 4.000 . 4.300 3.572 2.899 4.097 . 0 0 "[ . 1 .]" 2
1126 1 104 ARG HA 1 104 ARG HE 5.000 . 5.300 2.407 1.748 3.736 0.052 14 0 "[ . 1 .]" 2
1127 1 104 ARG QB 1 104 ARG QD 3.000 . 3.300 2.208 2.154 2.378 . 0 0 "[ . 1 .]" 2
1128 1 104 ARG QB 1 104 ARG HE 4.000 . 4.300 2.887 1.828 3.413 . 0 0 "[ . 1 .]" 2
1129 1 104 ARG H 1 104 ARG QD 5.000 . 5.300 4.691 4.413 5.023 . 0 0 "[ . 1 .]" 2
1130 1 45 CYS SG 1 47 THR N 3.400 3.000 4.300 3.246 3.108 3.468 . 0 0 "[ . 1 .]" 2
1131 1 45 CYS SG 1 47 THR H 2.400 . 3.300 2.339 2.243 2.495 . 0 0 "[ . 1 .]" 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 34
_Distance_constraint_stats_list.Viol_count 228
_Distance_constraint_stats_list.Viol_total 454.351
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0881
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0594
_Distance_constraint_stats_list.Viol_average_violations_only 0.1329
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 7.407 0.382 9 0 "[ . 1 .]"
1 3 VAL 5.631 0.288 8 0 "[ . 1 .]"
1 4 VAL 8.609 0.308 10 0 "[ . 1 .]"
1 5 TYR 0.844 0.103 15 0 "[ . 1 .]"
1 6 VAL 3.885 0.181 7 0 "[ . 1 .]"
1 13 ARG 0.844 0.103 15 0 "[ . 1 .]"
1 15 LEU 5.631 0.288 8 0 "[ . 1 .]"
1 18 ALA 0.068 0.025 13 0 "[ . 1 .]"
1 21 VAL 0.220 0.058 1 0 "[ . 1 .]"
1 23 LEU 0.451 0.149 11 0 "[ . 1 .]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 27 ALA 0.451 0.149 11 0 "[ . 1 .]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 53 ASN 3.093 0.171 4 0 "[ . 1 .]"
1 56 PHE 3.093 0.171 4 0 "[ . 1 .]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 68 ILE 0.150 0.141 14 0 "[ . 1 .]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 72 GLU 0.150 0.141 14 0 "[ . 1 .]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 90 MET 0.152 0.058 1 0 "[ . 1 .]"
1 96 GLY 7.407 0.382 9 0 "[ . 1 .]"
1 97 ILE 1.744 0.161 10 0 "[ . 1 .]"
1 99 VAL 6.865 0.308 10 0 "[ . 1 .]"
1 101 VAL 3.885 0.181 7 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS O 1 96 GLY H 2.400 . 3.300 1.793 1.697 1.894 0.303 9 0 "[ . 1 .]" 3
2 1 2 LYS O 1 96 GLY N 3.400 3.000 4.300 2.713 2.618 2.829 0.382 9 0 "[ . 1 .]" 3
3 1 3 VAL H 1 15 LEU O 2.400 . 3.300 2.004 1.869 2.087 0.131 8 0 "[ . 1 .]" 3
4 1 3 VAL N 1 15 LEU O 3.400 3.000 4.300 2.934 2.836 3.015 0.164 8 0 "[ . 1 .]" 3
5 1 3 VAL O 1 15 LEU H 2.400 . 3.300 1.909 1.746 1.991 0.254 8 0 "[ . 1 .]" 3
6 1 3 VAL O 1 15 LEU N 3.400 3.000 4.300 2.808 2.712 2.893 0.288 8 0 "[ . 1 .]" 3
7 1 4 VAL H 1 97 ILE O 2.400 . 3.300 1.970 1.887 2.068 0.113 10 0 "[ . 1 .]" 3
8 1 4 VAL N 1 97 ILE O 3.400 3.000 4.300 2.923 2.839 3.015 0.161 10 0 "[ . 1 .]" 3
9 1 4 VAL O 1 99 VAL H 2.400 . 3.300 1.793 1.724 1.889 0.276 1 0 "[ . 1 .]" 3
10 1 4 VAL O 1 99 VAL N 3.400 3.000 4.300 2.749 2.692 2.833 0.308 10 0 "[ . 1 .]" 3
11 1 5 TYR O 1 13 ARG H 2.400 . 3.300 2.054 1.941 2.239 0.059 15 0 "[ . 1 .]" 3
12 1 5 TYR O 1 13 ARG N 3.400 3.000 4.300 2.999 2.897 3.173 0.103 15 0 "[ . 1 .]" 3
13 1 6 VAL O 1 101 VAL H 2.400 . 3.300 1.888 1.856 1.953 0.144 7 0 "[ . 1 .]" 3
14 1 6 VAL O 1 101 VAL N 3.400 3.000 4.300 2.853 2.819 2.896 0.181 7 0 "[ . 1 .]" 3
15 1 18 ALA O 1 21 VAL H 2.400 . 3.300 2.158 2.083 2.301 . 0 0 "[ . 1 .]" 3
16 1 18 ALA O 1 21 VAL N 3.400 3.000 4.300 3.058 2.975 3.190 0.025 13 0 "[ . 1 .]" 3
17 1 21 VAL O 1 90 MET H 2.400 . 3.300 2.122 1.984 2.422 0.016 1 0 "[ . 1 .]" 3
18 1 21 VAL O 1 90 MET N 3.400 3.000 4.300 3.072 2.942 3.349 0.058 1 0 "[ . 1 .]" 3
19 1 23 LEU O 1 27 ALA H 2.400 . 3.300 2.250 1.985 2.608 0.015 13 0 "[ . 1 .]" 3
20 1 23 LEU O 1 27 ALA N 3.400 3.000 4.300 3.078 2.851 3.396 0.149 11 0 "[ . 1 .]" 3
21 1 23 LEU H 1 88 ILE O 2.400 . 3.300 2.474 2.292 2.715 . 0 0 "[ . 1 .]" 3
22 1 23 LEU N 1 88 ILE O 3.400 3.000 4.300 3.355 3.174 3.568 . 0 0 "[ . 1 .]" 3
23 1 26 ALA O 1 30 ASN H 2.400 . 3.300 2.479 2.364 2.699 . 0 0 "[ . 1 .]" 3
24 1 26 ALA O 1 30 ASN N 3.400 3.000 4.300 3.108 3.047 3.326 . 0 0 "[ . 1 .]" 3
25 1 50 VAL H 1 83 ARG O 2.400 . 3.300 2.420 2.107 2.933 . 0 0 "[ . 1 .]" 3
26 1 50 VAL N 1 83 ARG O 3.400 3.000 4.300 3.346 3.049 3.815 . 0 0 "[ . 1 .]" 3
27 1 53 ASN O 1 56 PHE H 2.400 . 3.300 1.919 1.870 1.981 0.130 4 0 "[ . 1 .]" 3
28 1 53 ASN O 1 56 PHE N 3.400 3.000 4.300 2.875 2.829 2.940 0.171 4 0 "[ . 1 .]" 3
29 1 64 ASN O 1 68 ILE H 2.400 . 3.300 2.641 2.458 2.897 . 0 0 "[ . 1 .]" 3
30 1 64 ASN O 1 68 ILE N 3.400 3.000 4.300 3.573 3.395 3.823 . 0 0 "[ . 1 .]" 3
31 1 68 ILE O 1 72 GLU H 2.400 . 3.300 2.481 1.991 2.732 0.009 14 0 "[ . 1 .]" 3
32 1 68 ILE O 1 72 GLU N 3.400 3.000 4.300 3.265 2.859 3.499 0.141 14 0 "[ . 1 .]" 3
33 1 71 LEU O 1 74 VAL H 2.400 . 3.300 2.476 2.323 2.603 . 0 0 "[ . 1 .]" 3
34 1 71 LEU O 1 74 VAL N 3.400 3.000 4.300 3.418 3.216 3.575 . 0 0 "[ . 1 .]" 3
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 10:06:22 AM GMT (wattos1)