NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472867 |
1lr1   |
5390 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lr1
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 746
_Distance_constraint_stats_list.Viol_count 2463
_Distance_constraint_stats_list.Viol_total 7945.762
_Distance_constraint_stats_list.Viol_max 2.669
_Distance_constraint_stats_list.Viol_rms 0.1013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0266
_Distance_constraint_stats_list.Viol_average_violations_only 0.1613
_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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 2.190 0.179 9 0 "[ . 1 . 2]"
1 7 ALA 11.681 0.398 18 0 "[ . 1 . 2]"
1 8 LEU 8.167 0.398 18 0 "[ . 1 . 2]"
1 9 LYS 11.824 0.295 20 0 "[ . 1 . 2]"
1 10 ILE 13.987 0.506 3 1 "[ + . 1 . 2]"
1 11 LEU 15.061 0.498 3 0 "[ . 1 . 2]"
1 12 ASN 9.701 0.506 3 1 "[ + . 1 . 2]"
1 13 ASN 0.208 0.121 3 0 "[ . 1 . 2]"
1 14 ILE 1.954 0.150 6 0 "[ . 1 . 2]"
1 15 ARG 0.413 0.072 19 0 "[ . 1 . 2]"
1 16 THR 0.007 0.007 1 0 "[ . 1 . 2]"
1 17 LEU 8.177 0.422 9 0 "[ . 1 . 2]"
1 18 ARG 10.032 2.669 6 3 "[ -.+ * . 2]"
1 19 ALA 12.913 0.380 4 0 "[ . 1 . 2]"
1 20 GLN 5.479 0.324 4 0 "[ . 1 . 2]"
1 21 ALA 18.430 0.380 4 0 "[ . 1 . 2]"
1 22 ARG 14.941 0.422 9 0 "[ . 1 . 2]"
1 23 GLU 10.365 0.984 20 5 "[ * * *. - +]"
1 24 SER 8.901 0.984 20 5 "[ * * *. - +]"
1 25 THR 2.698 0.204 18 0 "[ . 1 . 2]"
1 26 LEU 9.743 0.238 19 0 "[ . 1 . 2]"
1 27 GLU 4.735 0.227 6 0 "[ . 1 . 2]"
1 28 THR 3.641 0.126 18 0 "[ . 1 . 2]"
1 29 LEU 16.421 0.238 19 0 "[ . 1 . 2]"
1 30 GLU 1.434 0.125 8 0 "[ . 1 . 2]"
1 31 GLU 3.938 0.150 16 0 "[ . 1 . 2]"
1 32 MET 8.048 0.618 11 3 "[ - 1+ . *2]"
1 33 LEU 6.714 0.691 6 3 "[ *-+ 1 . 2]"
1 34 GLU 1.483 0.152 10 0 "[ . 1 . 2]"
1 35 LYS 15.673 0.635 6 5 "[ - .+* *1 * 2]"
1 36 LEU 8.347 0.635 6 5 "[ - .+* *1 * 2]"
1 37 GLU 5.688 0.326 15 0 "[ . 1 . 2]"
1 38 VAL 0.370 0.281 5 0 "[ . 1 . 2]"
1 39 VAL 4.573 0.321 9 0 "[ . 1 . 2]"
1 40 VAL 38.544 1.612 1 20 [+******-************]
1 41 ASN 4.059 0.287 4 0 "[ . 1 . 2]"
1 42 GLU 3.989 0.281 5 0 "[ . 1 . 2]"
1 43 ARG 42.766 1.701 9 18 "[********+**** *** **]"
1 44 ARG 3.159 0.221 11 0 "[ . 1 . 2]"
1 45 GLU 7.056 0.561 18 2 "[ . 1- . + 2]"
1 46 GLU 5.276 0.327 2 0 "[ . 1 . 2]"
1 47 GLU 16.281 0.421 17 0 "[ . 1 . 2]"
1 48 SER 0.050 0.017 7 0 "[ . 1 . 2]"
1 49 ALA 5.754 0.330 3 0 "[ . 1 . 2]"
1 50 ALA 1.676 0.170 13 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.022 0.022 14 0 "[ . 1 . 2]"
1 54 VAL 0.282 0.252 17 0 "[ . 1 . 2]"
1 55 GLU 0.318 0.252 17 0 "[ . 1 . 2]"
1 56 GLU 0.044 0.044 13 0 "[ . 1 . 2]"
1 57 ARG 0.044 0.044 13 0 "[ . 1 . 2]"
1 58 THR 0.925 0.180 17 0 "[ . 1 . 2]"
1 59 ARG 0.925 0.180 17 0 "[ . 1 . 2]"
1 60 LYS 0.086 0.050 9 0 "[ . 1 . 2]"
1 61 LEU 0.747 0.223 6 0 "[ . 1 . 2]"
2 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 GLU 2.328 0.232 6 0 "[ . 1 . 2]"
2 7 ALA 11.535 0.476 6 0 "[ . 1 . 2]"
2 8 LEU 9.128 0.476 6 0 "[ . 1 . 2]"
2 9 LYS 10.634 0.305 9 0 "[ . 1 . 2]"
2 10 ILE 13.528 0.356 5 0 "[ . 1 . 2]"
2 11 LEU 13.554 0.356 5 0 "[ . 1 . 2]"
2 12 ASN 9.547 0.334 9 0 "[ . 1 . 2]"
2 13 ASN 0.389 0.149 12 0 "[ . 1 . 2]"
2 14 ILE 2.208 0.169 11 0 "[ . 1 . 2]"
2 15 ARG 0.308 0.051 5 0 "[ . 1 . 2]"
2 16 THR 0.007 0.007 1 0 "[ . 1 . 2]"
2 17 LEU 8.470 0.428 2 0 "[ . 1 . 2]"
2 18 ARG 3.704 0.314 5 0 "[ . 1 . 2]"
2 19 ALA 12.251 0.337 16 0 "[ . 1 . 2]"
2 20 GLN 5.030 0.191 5 0 "[ . 1 . 2]"
2 21 ALA 16.980 0.306 16 0 "[ . 1 . 2]"
2 22 ARG 15.043 0.428 2 0 "[ . 1 . 2]"
2 23 GLU 7.161 0.953 12 1 "[ . 1 + . 2]"
2 24 SER 5.484 0.953 12 1 "[ . 1 + . 2]"
2 25 THR 2.076 0.246 2 0 "[ . 1 . 2]"
2 26 LEU 16.739 2.669 6 3 "[ -.+ * . 2]"
2 27 GLU 4.145 0.219 6 0 "[ . 1 . 2]"
2 28 THR 3.598 0.116 3 0 "[ . 1 . 2]"
2 29 LEU 16.289 0.277 11 0 "[ . 1 . 2]"
2 30 GLU 1.488 0.117 15 0 "[ . 1 . 2]"
2 31 GLU 3.691 0.151 16 0 "[ . 1 . 2]"
2 32 MET 7.638 0.691 6 3 "[ *-+ 1 . 2]"
2 33 LEU 6.795 0.618 11 3 "[ - 1+ . *2]"
2 34 GLU 1.307 0.082 15 0 "[ . 1 . 2]"
2 35 LYS 15.525 0.565 20 5 "[ * - * 1 . *+]"
2 36 LEU 8.348 0.565 20 5 "[ * - * 1 . *+]"
2 37 GLU 5.803 0.311 20 0 "[ . 1 . 2]"
2 38 VAL 0.331 0.079 15 0 "[ . 1 . 2]"
2 39 VAL 4.424 0.338 8 0 "[ . 1 . 2]"
2 40 VAL 8.813 0.321 9 0 "[ . 1 . 2]"
2 41 ASN 3.879 0.325 11 0 "[ . 1 . 2]"
2 42 GLU 3.622 0.158 20 0 "[ . 1 . 2]"
2 43 ARG 42.853 1.701 9 18 "[********+**** *** **]"
2 44 ARG 2.602 0.158 20 0 "[ . 1 . 2]"
2 45 GLU 7.167 0.564 18 1 "[ . 1 . + 2]"
2 46 GLU 5.271 0.329 2 0 "[ . 1 . 2]"
2 47 GLU 36.840 1.612 1 20 [+******-************]
2 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 ALA 5.540 0.314 11 0 "[ . 1 . 2]"
2 50 ALA 1.647 0.170 13 0 "[ . 1 . 2]"
2 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 VAL 0.473 0.301 9 0 "[ . 1 . 2]"
2 55 GLU 0.580 0.301 9 0 "[ . 1 . 2]"
2 56 GLU 0.088 0.044 14 0 "[ . 1 . 2]"
2 57 ARG 0.088 0.044 14 0 "[ . 1 . 2]"
2 58 THR 0.647 0.159 10 0 "[ . 1 . 2]"
2 59 ARG 1.039 0.316 10 0 "[ . 1 . 2]"
2 60 LYS 0.141 0.053 11 0 "[ . 1 . 2]"
2 61 LEU 0.716 0.276 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ALA H 1 7 ALA MB 3.500 2.300 4.000 2.259 2.232 2.293 0.068 5 0 "[ . 1 . 2]" 1
2 1 9 LYS H 1 9 LYS QB 3.500 2.300 4.000 2.283 2.250 2.607 0.050 12 0 "[ . 1 . 2]" 1
3 1 10 ILE H 1 10 ILE HB 3.500 2.300 4.000 2.534 2.430 2.633 . 0 0 "[ . 1 . 2]" 1
4 1 12 ASN H 1 12 ASN HB3 4.000 . 5.000 3.927 3.651 4.131 . 0 0 "[ . 1 . 2]" 1
5 1 12 ASN H 1 12 ASN HB2 4.000 . 5.000 3.427 3.080 3.670 . 0 0 "[ . 1 . 2]" 1
6 1 13 ASN H 1 13 ASN HB3 4.000 . 5.000 4.062 4.043 4.086 . 0 0 "[ . 1 . 2]" 1
7 1 13 ASN H 1 13 ASN HB2 4.000 . 5.000 3.554 3.529 3.598 . 0 0 "[ . 1 . 2]" 1
8 1 15 ARG H 1 15 ARG QB 3.500 . 4.000 2.553 2.495 2.610 . 0 0 "[ . 1 . 2]" 1
9 1 16 THR H 1 16 THR HB 3.500 . 4.000 2.548 2.463 2.774 . 0 0 "[ . 1 . 2]" 1
10 1 18 ARG H 1 18 ARG HB3 3.500 . 4.000 2.733 2.308 3.620 . 0 0 "[ . 1 . 2]" 1
11 1 18 ARG H 1 18 ARG HB2 3.500 . 4.000 2.646 2.357 3.589 . 0 0 "[ . 1 . 2]" 1
12 1 19 ALA H 1 19 ALA MB 3.500 2.300 4.000 2.266 2.244 2.283 0.056 16 0 "[ . 1 . 2]" 1
13 1 20 GLN H 1 20 GLN HB3 4.000 . 5.000 2.600 2.352 3.593 . 0 0 "[ . 1 . 2]" 1
14 1 20 GLN H 1 20 GLN HB2 4.000 . 5.000 3.497 2.347 3.621 . 0 0 "[ . 1 . 2]" 1
15 1 23 GLU H 1 23 GLU QB 3.500 . 4.000 2.634 2.245 2.949 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLU H 1 6 GLU QG 4.000 . 5.000 3.686 2.100 4.019 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU H 1 8 LEU HG 3.500 . 4.000 3.758 2.000 3.980 . 0 0 "[ . 1 . 2]" 1
18 1 10 ILE H 1 10 ILE HG12 4.000 . 5.000 4.412 4.357 4.473 . 0 0 "[ . 1 . 2]" 1
19 1 15 ARG H 1 15 ARG QG 4.000 . 5.000 1.984 1.892 2.082 . 0 0 "[ . 1 . 2]" 1
20 1 18 ARG H 1 18 ARG QG 4.000 . 5.000 3.421 2.120 4.050 . 0 0 "[ . 1 . 2]" 1
21 1 20 GLN H 1 20 GLN HG3 3.500 . 4.000 3.322 1.833 4.324 0.324 4 0 "[ . 1 . 2]" 1
22 1 20 GLN H 1 20 GLN HG2 4.000 . 5.000 2.319 1.837 4.420 . 0 0 "[ . 1 . 2]" 1
23 1 23 GLU H 1 23 GLU HG3 3.500 . 4.000 3.250 2.164 4.417 0.417 16 0 "[ . 1 . 2]" 1
24 1 23 GLU H 1 23 GLU HG2 3.500 . 4.000 2.415 1.960 4.370 0.370 16 0 "[ . 1 . 2]" 1
25 1 9 LYS H 1 9 LYS QD 3.500 . 4.000 4.145 3.560 4.295 0.295 20 0 "[ . 1 . 2]" 1
26 1 15 ARG H 1 15 ARG QD 3.500 . 4.000 3.826 3.549 4.072 0.072 19 0 "[ . 1 . 2]" 1
27 1 17 LEU H 1 17 LEU QD 4.000 . 5.000 3.709 3.595 3.765 . 0 0 "[ . 1 . 2]" 1
28 1 18 ARG H 1 18 ARG QD 3.500 . 4.000 4.099 3.853 4.302 0.302 9 0 "[ . 1 . 2]" 1
29 1 22 ARG H 1 22 ARG QD 3.500 . 4.000 4.141 3.451 4.318 0.318 12 0 "[ . 1 . 2]" 1
30 1 6 GLU HA 1 6 GLU QG 3.500 . 4.000 2.721 2.353 3.498 . 0 0 "[ . 1 . 2]" 1
31 1 8 LEU HA 1 8 LEU QD 4.000 . 5.000 2.154 1.744 2.550 0.056 9 0 "[ . 1 . 2]" 1
32 1 9 LYS HA 1 9 LYS QD 4.000 . 5.000 2.487 1.756 3.578 0.044 19 0 "[ . 1 . 2]" 1
33 1 10 ILE HA 1 10 ILE HG12 4.000 . 5.000 2.742 2.333 3.193 . 0 0 "[ . 1 . 2]" 1
34 1 10 ILE HA 1 10 ILE HG13 4.000 . 5.000 3.042 2.476 3.715 . 0 0 "[ . 1 . 2]" 1
35 1 10 ILE HB 1 10 ILE MD 3.500 . 4.000 2.763 2.279 3.241 . 0 0 "[ . 1 . 2]" 1
36 1 11 LEU HA 1 11 LEU QD 4.000 . 5.000 3.090 2.630 3.165 . 0 0 "[ . 1 . 2]" 1
37 1 53 GLU H 1 53 GLU HA 3.500 2.300 4.000 2.813 2.778 2.877 . 0 0 "[ . 1 . 2]" 1
38 1 24 SER H 1 24 SER HB3 3.500 . 4.000 3.538 2.822 4.008 0.008 9 0 "[ . 1 . 2]" 1
39 1 24 SER H 1 24 SER HB2 4.000 . 5.000 3.350 2.511 4.033 . 0 0 "[ . 1 . 2]" 1
40 1 25 THR H 1 25 THR HB 4.000 . 5.000 2.865 2.500 3.691 . 0 0 "[ . 1 . 2]" 1
41 1 27 GLU H 1 27 GLU HB3 3.500 . 4.000 2.554 2.431 2.692 . 0 0 "[ . 1 . 2]" 1
42 1 27 GLU H 1 27 GLU HB2 3.500 . 4.000 3.081 2.421 3.611 . 0 0 "[ . 1 . 2]" 1
43 1 28 THR H 1 28 THR HB 3.500 . 4.000 2.663 2.579 3.621 . 0 0 "[ . 1 . 2]" 1
44 1 29 LEU H 1 29 LEU QB 3.500 . 4.000 2.796 2.779 2.826 . 0 0 "[ . 1 . 2]" 1
45 1 31 GLU H 1 31 GLU QB 3.500 . 4.000 2.330 2.236 2.524 . 0 0 "[ . 1 . 2]" 1
46 1 32 MET H 1 32 MET QB 3.500 . 4.000 2.485 2.414 2.739 . 0 0 "[ . 1 . 2]" 1
47 1 33 LEU H 1 33 LEU QB 3.500 . 4.000 2.192 2.171 2.216 . 0 0 "[ . 1 . 2]" 1
48 1 34 GLU H 1 34 GLU QB 3.500 2.300 4.000 2.251 2.217 2.267 0.083 14 0 "[ . 1 . 2]" 1
49 1 35 LYS H 1 35 LYS QB 3.500 . 4.000 2.639 2.597 2.666 . 0 0 "[ . 1 . 2]" 1
50 1 36 LEU H 1 36 LEU HB3 4.000 . 5.000 2.507 2.420 2.619 . 0 0 "[ . 1 . 2]" 1
51 1 36 LEU H 1 36 LEU HB2 3.500 . 4.000 2.457 2.349 2.561 . 0 0 "[ . 1 . 2]" 1
52 1 37 GLU H 1 37 GLU QB 3.500 . 4.000 2.623 2.146 2.743 . 0 0 "[ . 1 . 2]" 1
53 1 38 VAL H 1 38 VAL HB 3.500 . 4.000 3.612 2.764 3.678 . 0 0 "[ . 1 . 2]" 1
54 1 39 VAL H 1 39 VAL HB 4.000 . 5.000 3.243 2.551 3.688 . 0 0 "[ . 1 . 2]" 1
55 1 40 VAL H 1 40 VAL HB 4.000 . 5.000 3.008 2.576 3.451 . 0 0 "[ . 1 . 2]" 1
56 1 43 ARG H 1 43 ARG QB 3.500 . 4.000 2.252 2.085 2.388 . 0 0 "[ . 1 . 2]" 1
57 1 44 ARG H 1 44 ARG QB 3.500 . 4.000 2.287 2.071 2.593 . 0 0 "[ . 1 . 2]" 1
58 1 45 GLU H 1 45 GLU QB 3.500 . 4.000 2.428 2.217 2.687 . 0 0 "[ . 1 . 2]" 1
59 1 46 GLU H 1 46 GLU QB 3.500 . 4.000 2.357 2.270 2.431 . 0 0 "[ . 1 . 2]" 1
60 1 47 GLU H 1 47 GLU QB 3.500 . 4.000 2.198 2.084 2.282 . 0 0 "[ . 1 . 2]" 1
61 1 48 SER H 1 48 SER QB 3.500 . 4.000 2.361 2.264 2.493 . 0 0 "[ . 1 . 2]" 1
62 1 53 GLU H 1 53 GLU QB 3.500 . 4.000 2.360 2.216 2.707 . 0 0 "[ . 1 . 2]" 1
63 1 54 VAL H 1 54 VAL HB 3.500 2.300 4.000 3.126 2.530 3.993 . 0 0 "[ . 1 . 2]" 1
64 1 55 GLU H 1 55 GLU QB 3.500 2.300 4.000 2.752 2.256 3.358 0.044 13 0 "[ . 1 . 2]" 1
65 1 56 GLU H 1 56 GLU QB 3.500 2.300 4.000 2.886 2.427 3.382 . 0 0 "[ . 1 . 2]" 1
66 1 60 LYS H 1 60 LYS HB3 3.500 . 4.000 3.389 2.512 4.050 0.050 9 0 "[ . 1 . 2]" 1
67 1 60 LYS H 1 60 LYS HB2 3.500 . 4.000 3.020 2.469 3.964 . 0 0 "[ . 1 . 2]" 1
68 1 25 THR H 1 25 THR MG 3.500 . 4.000 3.555 2.576 3.926 . 0 0 "[ . 1 . 2]" 1
69 1 26 LEU H 1 26 LEU HG 3.500 . 4.000 4.084 4.011 4.179 0.179 20 0 "[ . 1 . 2]" 1
70 1 27 GLU H 1 27 GLU QG 4.000 . 5.000 3.068 2.202 4.070 . 0 0 "[ . 1 . 2]" 1
71 1 28 THR H 1 28 THR MG 4.000 . 5.000 2.306 1.943 3.779 . 0 0 "[ . 1 . 2]" 1
72 1 29 LEU H 1 29 LEU HG 4.000 . 5.000 1.946 1.903 1.972 . 0 0 "[ . 1 . 2]" 1
73 1 30 GLU H 1 30 GLU QG 4.000 . 5.000 3.646 2.275 4.056 . 0 0 "[ . 1 . 2]" 1
74 1 31 GLU H 1 31 GLU QG 4.000 . 5.000 3.458 2.174 4.026 . 0 0 "[ . 1 . 2]" 1
75 1 32 MET H 1 32 MET QG 4.000 . 5.000 2.330 1.888 2.482 . 0 0 "[ . 1 . 2]" 1
76 1 33 LEU H 1 33 LEU HG 4.000 . 5.000 4.486 4.350 4.588 . 0 0 "[ . 1 . 2]" 1
77 1 34 GLU H 1 34 GLU QG 4.000 . 5.000 3.968 3.897 4.005 . 0 0 "[ . 1 . 2]" 1
78 1 35 LYS H 1 35 LYS QG 4.000 . 5.000 1.970 1.828 2.041 . 0 0 "[ . 1 . 2]" 1
79 1 36 LEU H 1 36 LEU HG 4.000 . 5.000 4.468 4.424 4.523 . 0 0 "[ . 1 . 2]" 1
80 1 37 GLU H 1 37 GLU QG 4.000 . 5.000 2.285 1.932 4.053 . 0 0 "[ . 1 . 2]" 1
81 1 38 VAL H 1 38 VAL QG 3.500 . 4.000 2.021 1.902 2.143 . 0 0 "[ . 1 . 2]" 1
82 1 39 VAL H 1 39 VAL QG 4.000 . 5.000 2.071 1.866 2.350 . 0 0 "[ . 1 . 2]" 1
83 1 40 VAL H 1 40 VAL QG 3.500 . 4.000 2.070 1.735 2.450 0.065 5 0 "[ . 1 . 2]" 1
84 1 42 GLU H 1 42 GLU QG 3.500 . 4.000 2.234 1.824 2.402 . 0 0 "[ . 1 . 2]" 1
85 1 43 ARG H 1 43 ARG QG 4.000 . 5.000 3.461 3.366 3.630 . 0 0 "[ . 1 . 2]" 1
86 1 44 ARG H 1 44 ARG QG 4.000 . 5.000 2.703 2.093 3.718 . 0 0 "[ . 1 . 2]" 1
87 1 45 GLU H 1 45 GLU HG3 3.500 . 4.000 3.025 2.302 4.561 0.561 18 2 "[ . 1- . + 2]" 1
88 1 45 GLU H 1 45 GLU HG2 4.000 . 5.000 3.283 1.936 4.574 . 0 0 "[ . 1 . 2]" 1
89 1 46 GLU H 1 46 GLU QG 4.000 . 5.000 3.125 2.345 4.053 . 0 0 "[ . 1 . 2]" 1
90 1 47 GLU H 1 47 GLU QG 4.000 . 5.000 3.438 2.455 4.048 . 0 0 "[ . 1 . 2]" 1
91 1 53 GLU H 1 53 GLU QG 4.000 . 5.000 3.211 1.778 4.041 0.022 14 0 "[ . 1 . 2]" 1
92 1 54 VAL H 1 54 VAL QG 3.500 . 4.000 2.206 1.808 3.048 . 0 0 "[ . 1 . 2]" 1
93 1 55 GLU H 1 55 GLU QG 4.000 . 5.000 3.023 1.833 4.220 . 0 0 "[ . 1 . 2]" 1
94 1 56 GLU H 1 56 GLU QG 4.000 . 5.000 3.500 2.134 4.493 . 0 0 "[ . 1 . 2]" 1
95 1 57 ARG H 1 57 ARG QG 4.000 . 5.000 3.528 2.140 4.505 . 0 0 "[ . 1 . 2]" 1
96 1 59 ARG H 1 59 ARG QG 3.500 . 4.000 2.924 2.092 3.313 . 0 0 "[ . 1 . 2]" 1
97 1 61 LEU H 1 61 LEU HG 4.000 . 5.000 3.960 2.213 5.108 0.108 15 0 "[ . 1 . 2]" 1
98 1 29 LEU H 1 29 LEU MD2 4.000 . 5.000 3.586 3.545 3.610 . 0 0 "[ . 1 . 2]" 1
99 1 29 LEU H 1 29 LEU MD1 3.500 . 4.000 2.842 2.794 2.883 . 0 0 "[ . 1 . 2]" 1
100 1 33 LEU H 1 33 LEU QD 4.000 . 5.000 3.636 3.550 3.713 . 0 0 "[ . 1 . 2]" 1
101 1 35 LYS H 1 35 LYS QD 4.000 . 5.000 2.990 2.855 3.120 . 0 0 "[ . 1 . 2]" 1
102 1 36 LEU H 1 36 LEU QD 4.000 . 5.000 3.601 3.528 3.665 . 0 0 "[ . 1 . 2]" 1
103 1 9 LYS H 1 9 LYS HG2 4.000 . 5.000 4.523 3.458 4.652 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE H 1 10 ILE HG13 4.000 . 5.000 4.523 4.391 4.662 . 0 0 "[ . 1 . 2]" 1
105 1 16 THR H 1 16 THR MG 4.000 . 5.000 3.283 2.028 3.787 . 0 0 "[ . 1 . 2]" 1
106 1 22 ARG H 1 22 ARG QB 3.000 . 3.500 2.253 2.209 2.484 . 0 0 "[ . 1 . 2]" 1
107 1 18 ARG HB2 1 18 ARG HE 4.000 . 5.000 4.067 1.791 4.810 0.009 19 0 "[ . 1 . 2]" 1
108 1 54 VAL HA 1 54 VAL QG 3.000 . 3.500 2.223 2.081 2.362 . 0 0 "[ . 1 . 2]" 1
109 1 41 ASN HB3 1 41 ASN HD21 3.000 . 3.500 2.367 2.093 3.216 . 0 0 "[ . 1 . 2]" 1
110 1 41 ASN H 1 41 ASN HB3 2.500 . 3.000 2.569 2.430 2.807 . 0 0 "[ . 1 . 2]" 1
111 1 41 ASN H 1 41 ASN HB2 3.000 . 3.500 2.509 2.294 2.665 . 0 0 "[ . 1 . 2]" 1
112 1 33 LEU QB 1 33 LEU MD1 3.000 . 3.500 2.342 2.245 2.449 . 0 0 "[ . 1 . 2]" 1
113 1 61 LEU H 1 61 LEU QB 2.500 . 3.000 2.662 2.220 3.223 0.223 6 0 "[ . 1 . 2]" 1
114 1 23 GLU HA 1 23 GLU HG3 4.000 . 5.000 3.635 2.463 3.773 . 0 0 "[ . 1 . 2]" 1
115 1 60 LYS HA 1 60 LYS QG 3.000 . 3.500 2.620 2.389 3.431 . 0 0 "[ . 1 . 2]" 1
116 1 57 ARG HA 1 57 ARG QD 4.500 . 5.500 3.783 2.027 4.495 . 0 0 "[ . 1 . 2]" 1
117 1 33 LEU HA 1 33 LEU HG 3.500 . 4.000 3.215 3.058 3.321 . 0 0 "[ . 1 . 2]" 1
118 1 33 LEU HA 1 33 LEU MD1 3.500 . 4.000 1.973 1.741 2.283 0.059 4 0 "[ . 1 . 2]" 1
119 1 47 GLU HA 1 47 GLU QG 3.000 . 3.500 2.667 2.327 3.108 . 0 0 "[ . 1 . 2]" 1
120 1 44 ARG HA 1 44 ARG QG 3.000 . 3.500 2.746 2.493 3.065 . 0 0 "[ . 1 . 2]" 1
121 1 14 ILE HA 1 14 ILE MG 3.000 . 3.500 2.379 2.298 2.469 . 0 0 "[ . 1 . 2]" 1
122 1 10 ILE HB 1 10 ILE HG13 3.000 . 3.500 2.392 2.325 2.492 . 0 0 "[ . 1 . 2]" 1
123 2 7 ALA H 2 7 ALA MB 3.500 2.300 4.000 2.258 2.209 2.293 0.091 6 0 "[ . 1 . 2]" 1
124 2 9 LYS H 2 9 LYS QB 3.500 2.300 4.000 2.307 2.252 2.642 0.048 6 0 "[ . 1 . 2]" 1
125 2 10 ILE H 2 10 ILE HB 3.500 2.300 4.000 2.519 2.395 2.629 . 0 0 "[ . 1 . 2]" 1
126 2 12 ASN H 2 12 ASN HB3 4.000 . 5.000 3.848 3.055 4.108 . 0 0 "[ . 1 . 2]" 1
127 2 12 ASN H 2 12 ASN HB2 4.000 . 5.000 3.422 3.109 4.007 . 0 0 "[ . 1 . 2]" 1
128 2 13 ASN H 2 13 ASN HB3 4.000 . 5.000 4.060 4.046 4.087 . 0 0 "[ . 1 . 2]" 1
129 2 13 ASN H 2 13 ASN HB2 4.000 . 5.000 3.557 3.474 3.601 . 0 0 "[ . 1 . 2]" 1
130 2 15 ARG H 2 15 ARG QB 3.500 . 4.000 2.541 2.506 2.576 . 0 0 "[ . 1 . 2]" 1
131 2 16 THR H 2 16 THR HB 3.500 . 4.000 2.618 2.471 3.655 . 0 0 "[ . 1 . 2]" 1
132 2 18 ARG H 2 18 ARG HB3 3.500 . 4.000 2.726 2.328 3.618 . 0 0 "[ . 1 . 2]" 1
133 2 18 ARG H 2 18 ARG HB2 3.500 . 4.000 2.659 2.273 3.597 . 0 0 "[ . 1 . 2]" 1
134 2 19 ALA H 2 19 ALA MB 3.500 2.300 4.000 2.268 2.242 2.280 0.058 16 0 "[ . 1 . 2]" 1
135 2 20 GLN H 2 20 GLN HB3 4.000 . 5.000 2.563 2.371 2.797 . 0 0 "[ . 1 . 2]" 1
136 2 20 GLN H 2 20 GLN HB2 4.000 . 5.000 3.603 3.584 3.621 . 0 0 "[ . 1 . 2]" 1
137 2 23 GLU H 2 23 GLU QB 3.500 . 4.000 2.553 2.185 2.929 . 0 0 "[ . 1 . 2]" 1
138 2 6 GLU H 2 6 GLU QG 4.000 . 5.000 3.710 2.328 4.036 . 0 0 "[ . 1 . 2]" 1
139 2 8 LEU H 2 8 LEU HG 3.500 . 4.000 3.630 1.799 3.948 0.001 12 0 "[ . 1 . 2]" 1
140 2 10 ILE H 2 10 ILE HG12 4.000 . 5.000 4.425 4.360 4.473 . 0 0 "[ . 1 . 2]" 1
141 2 15 ARG H 2 15 ARG QG 4.000 . 5.000 1.988 1.937 2.069 . 0 0 "[ . 1 . 2]" 1
142 2 18 ARG H 2 18 ARG QG 4.000 . 5.000 3.375 2.045 4.051 . 0 0 "[ . 1 . 2]" 1
143 2 20 GLN H 2 20 GLN HG3 3.500 . 4.000 3.253 1.772 3.660 0.028 12 0 "[ . 1 . 2]" 1
144 2 20 GLN H 2 20 GLN HG2 4.000 . 5.000 2.187 1.864 3.126 . 0 0 "[ . 1 . 2]" 1
145 2 23 GLU H 2 23 GLU HG3 3.500 . 4.000 3.060 2.313 4.418 0.418 16 0 "[ . 1 . 2]" 1
146 2 23 GLU H 2 23 GLU HG2 3.500 . 4.000 2.942 1.976 4.370 0.370 16 0 "[ . 1 . 2]" 1
147 2 9 LYS H 2 9 LYS QD 3.500 . 4.000 4.090 3.377 4.305 0.305 9 0 "[ . 1 . 2]" 1
148 2 15 ARG H 2 15 ARG QD 3.500 . 4.000 3.778 3.560 4.051 0.051 5 0 "[ . 1 . 2]" 1
149 2 17 LEU H 2 17 LEU QD 4.000 . 5.000 3.711 3.590 3.766 . 0 0 "[ . 1 . 2]" 1
150 2 18 ARG H 2 18 ARG QD 3.500 . 4.000 4.116 3.771 4.314 0.314 5 0 "[ . 1 . 2]" 1
151 2 22 ARG H 2 22 ARG QD 3.500 . 4.000 4.091 3.470 4.322 0.322 7 0 "[ . 1 . 2]" 1
152 2 6 GLU HA 2 6 GLU QG 3.500 . 4.000 2.695 2.353 3.495 . 0 0 "[ . 1 . 2]" 1
153 2 8 LEU HA 2 8 LEU QD 4.000 . 5.000 2.125 1.763 2.575 0.037 4 0 "[ . 1 . 2]" 1
154 2 9 LYS HA 2 9 LYS QD 4.000 . 5.000 2.622 1.879 3.695 . 0 0 "[ . 1 . 2]" 1
155 2 10 ILE HA 2 10 ILE HG12 4.000 . 5.000 2.747 2.333 3.194 . 0 0 "[ . 1 . 2]" 1
156 2 10 ILE HA 2 10 ILE HG13 4.000 . 5.000 2.994 2.476 3.712 . 0 0 "[ . 1 . 2]" 1
157 2 10 ILE HB 2 10 ILE MD 3.500 . 4.000 2.735 2.281 3.243 . 0 0 "[ . 1 . 2]" 1
158 2 11 LEU HA 2 11 LEU QD 4.000 . 5.000 3.022 2.595 3.162 . 0 0 "[ . 1 . 2]" 1
159 2 53 GLU H 2 53 GLU HA 3.500 2.300 4.000 2.817 2.778 2.865 . 0 0 "[ . 1 . 2]" 1
160 2 24 SER H 2 24 SER HB3 3.500 . 4.000 3.525 2.875 4.003 0.003 11 0 "[ . 1 . 2]" 1
161 2 24 SER H 2 24 SER HB2 4.000 . 5.000 3.435 2.530 4.030 . 0 0 "[ . 1 . 2]" 1
162 2 25 THR H 2 25 THR HB 4.000 . 5.000 2.660 2.500 3.659 . 0 0 "[ . 1 . 2]" 1
163 2 27 GLU H 2 27 GLU HB3 3.500 . 4.000 2.600 2.439 2.694 . 0 0 "[ . 1 . 2]" 1
164 2 27 GLU H 2 27 GLU HB2 3.500 . 4.000 2.740 2.412 3.606 . 0 0 "[ . 1 . 2]" 1
165 2 28 THR H 2 28 THR HB 3.500 . 4.000 2.652 2.525 3.620 . 0 0 "[ . 1 . 2]" 1
166 2 29 LEU H 2 29 LEU QB 3.500 . 4.000 2.798 2.779 2.832 . 0 0 "[ . 1 . 2]" 1
167 2 31 GLU H 2 31 GLU QB 3.500 . 4.000 2.286 2.202 2.578 . 0 0 "[ . 1 . 2]" 1
168 2 32 MET H 2 32 MET QB 3.500 . 4.000 2.460 2.383 2.718 . 0 0 "[ . 1 . 2]" 1
169 2 33 LEU H 2 33 LEU QB 3.500 . 4.000 2.194 2.155 2.222 . 0 0 "[ . 1 . 2]" 1
170 2 34 GLU H 2 34 GLU QB 3.500 2.300 4.000 2.253 2.223 2.269 0.077 19 0 "[ . 1 . 2]" 1
171 2 35 LYS H 2 35 LYS QB 3.500 . 4.000 2.634 2.599 2.663 . 0 0 "[ . 1 . 2]" 1
172 2 36 LEU H 2 36 LEU HB3 4.000 . 5.000 2.515 2.444 2.623 . 0 0 "[ . 1 . 2]" 1
173 2 36 LEU H 2 36 LEU HB2 3.500 . 4.000 2.454 2.344 2.544 . 0 0 "[ . 1 . 2]" 1
174 2 37 GLU H 2 37 GLU QB 3.500 . 4.000 2.641 2.473 2.740 . 0 0 "[ . 1 . 2]" 1
175 2 38 VAL H 2 38 VAL HB 3.500 . 4.000 3.656 3.630 3.673 . 0 0 "[ . 1 . 2]" 1
176 2 39 VAL H 2 39 VAL HB 4.000 . 5.000 3.077 2.498 3.683 . 0 0 "[ . 1 . 2]" 1
177 2 40 VAL H 2 40 VAL HB 4.000 . 5.000 3.102 2.557 3.441 . 0 0 "[ . 1 . 2]" 1
178 2 43 ARG H 2 43 ARG QB 3.500 . 4.000 2.267 2.179 2.411 . 0 0 "[ . 1 . 2]" 1
179 2 44 ARG H 2 44 ARG QB 3.500 . 4.000 2.293 2.069 2.569 . 0 0 "[ . 1 . 2]" 1
180 2 45 GLU H 2 45 GLU QB 3.500 . 4.000 2.444 2.186 2.673 . 0 0 "[ . 1 . 2]" 1
181 2 46 GLU H 2 46 GLU QB 3.500 . 4.000 2.350 2.238 2.431 . 0 0 "[ . 1 . 2]" 1
182 2 47 GLU H 2 47 GLU QB 3.500 . 4.000 2.175 2.067 2.309 . 0 0 "[ . 1 . 2]" 1
183 2 48 SER H 2 48 SER QB 3.500 . 4.000 2.332 2.265 2.506 . 0 0 "[ . 1 . 2]" 1
184 2 53 GLU H 2 53 GLU QB 3.500 . 4.000 2.379 2.212 2.605 . 0 0 "[ . 1 . 2]" 1
185 2 54 VAL H 2 54 VAL HB 3.500 2.300 4.000 3.069 2.396 3.948 . 0 0 "[ . 1 . 2]" 1
186 2 55 GLU H 2 55 GLU QB 3.500 2.300 4.000 2.772 2.222 3.382 0.078 18 0 "[ . 1 . 2]" 1
187 2 56 GLU H 2 56 GLU QB 3.500 2.300 4.000 3.011 2.449 3.380 . 0 0 "[ . 1 . 2]" 1
188 2 60 LYS H 2 60 LYS HB3 3.500 . 4.000 3.451 2.516 4.034 0.034 1 0 "[ . 1 . 2]" 1
189 2 60 LYS H 2 60 LYS HB2 3.500 . 4.000 3.132 2.388 4.053 0.053 11 0 "[ . 1 . 2]" 1
190 2 25 THR H 2 25 THR MG 3.500 . 4.000 3.769 2.688 3.908 . 0 0 "[ . 1 . 2]" 1
191 2 26 LEU H 2 26 LEU HG 3.500 . 4.000 4.090 4.011 4.185 0.185 20 0 "[ . 1 . 2]" 1
192 2 27 GLU H 2 27 GLU QG 4.000 . 5.000 3.581 2.302 4.073 . 0 0 "[ . 1 . 2]" 1
193 2 28 THR H 2 28 THR MG 4.000 . 5.000 2.582 1.998 3.775 . 0 0 "[ . 1 . 2]" 1
194 2 29 LEU H 2 29 LEU HG 4.000 . 5.000 1.946 1.889 2.002 . 0 0 "[ . 1 . 2]" 1
195 2 30 GLU H 2 30 GLU QG 4.000 . 5.000 3.641 2.253 4.050 . 0 0 "[ . 1 . 2]" 1
196 2 31 GLU H 2 31 GLU QG 4.000 . 5.000 3.786 2.139 4.028 . 0 0 "[ . 1 . 2]" 1
197 2 32 MET H 2 32 MET QG 4.000 . 5.000 2.371 1.953 2.508 . 0 0 "[ . 1 . 2]" 1
198 2 33 LEU H 2 33 LEU HG 4.000 . 5.000 4.456 4.352 4.560 . 0 0 "[ . 1 . 2]" 1
199 2 34 GLU H 2 34 GLU QG 4.000 . 5.000 3.967 3.945 3.986 . 0 0 "[ . 1 . 2]" 1
200 2 35 LYS H 2 35 LYS QG 4.000 . 5.000 1.978 1.896 2.056 . 0 0 "[ . 1 . 2]" 1
201 2 36 LEU H 2 36 LEU HG 4.000 . 5.000 4.473 4.433 4.516 . 0 0 "[ . 1 . 2]" 1
202 2 37 GLU H 2 37 GLU QG 4.000 . 5.000 2.228 1.972 2.490 . 0 0 "[ . 1 . 2]" 1
203 2 38 VAL H 2 38 VAL MG1 3.500 . 4.000 2.298 2.051 2.441 . 0 0 "[ . 1 . 2]" 1
204 2 38 VAL H 2 38 VAL MG2 4.000 . 5.000 2.304 2.057 2.476 . 0 0 "[ . 1 . 2]" 1
205 2 39 VAL H 2 39 VAL QG 4.000 . 5.000 2.103 1.855 2.386 . 0 0 "[ . 1 . 2]" 1
206 2 40 VAL H 2 40 VAL QG 3.500 . 4.000 2.009 1.742 2.390 0.058 18 0 "[ . 1 . 2]" 1
207 2 42 GLU H 2 42 GLU QG 3.500 . 4.000 2.243 1.884 2.406 . 0 0 "[ . 1 . 2]" 1
208 2 43 ARG H 2 43 ARG QG 4.000 . 5.000 3.460 3.319 3.542 . 0 0 "[ . 1 . 2]" 1
209 2 44 ARG H 2 44 ARG QG 4.000 . 5.000 2.819 2.200 4.091 . 0 0 "[ . 1 . 2]" 1
210 2 45 GLU H 2 45 GLU HG3 3.500 . 4.000 3.237 2.343 4.564 0.564 18 1 "[ . 1 . + 2]" 1
211 2 45 GLU H 2 45 GLU HG2 4.000 . 5.000 3.123 1.958 4.588 . 0 0 "[ . 1 . 2]" 1
212 2 46 GLU H 2 46 GLU QG 4.000 . 5.000 3.098 2.341 4.032 . 0 0 "[ . 1 . 2]" 1
213 2 47 GLU H 2 47 GLU QG 4.000 . 5.000 3.341 2.395 4.023 . 0 0 "[ . 1 . 2]" 1
214 2 53 GLU H 2 53 GLU QG 4.000 . 5.000 3.121 1.962 4.027 . 0 0 "[ . 1 . 2]" 1
215 2 54 VAL H 2 54 VAL QG 3.500 . 4.000 2.295 1.813 3.088 . 0 0 "[ . 1 . 2]" 1
216 2 55 GLU H 2 55 GLU QG 4.000 . 5.000 3.106 1.949 4.510 . 0 0 "[ . 1 . 2]" 1
217 2 56 GLU H 2 56 GLU QG 4.000 . 5.000 3.614 2.192 4.449 . 0 0 "[ . 1 . 2]" 1
218 2 57 ARG H 2 57 ARG QG 4.000 . 5.000 3.240 1.913 4.375 . 0 0 "[ . 1 . 2]" 1
219 2 59 ARG H 2 59 ARG QG 3.500 . 4.000 2.716 1.751 4.316 0.316 10 0 "[ . 1 . 2]" 1
220 2 61 LEU H 2 61 LEU HG 4.000 . 5.000 3.745 2.213 4.893 . 0 0 "[ . 1 . 2]" 1
221 2 29 LEU H 2 29 LEU MD2 4.000 . 5.000 3.586 3.532 3.640 . 0 0 "[ . 1 . 2]" 1
222 2 29 LEU H 2 29 LEU MD1 3.500 . 4.000 2.836 2.712 2.891 . 0 0 "[ . 1 . 2]" 1
223 2 33 LEU H 2 33 LEU QD 4.000 . 5.000 3.666 3.548 3.732 . 0 0 "[ . 1 . 2]" 1
224 2 35 LYS H 2 35 LYS QD 4.000 . 5.000 3.038 2.856 3.825 . 0 0 "[ . 1 . 2]" 1
225 2 36 LEU H 2 36 LEU QD 4.000 . 5.000 3.604 3.539 3.665 . 0 0 "[ . 1 . 2]" 1
226 2 9 LYS H 2 9 LYS HG2 4.000 . 5.000 4.452 3.416 4.657 . 0 0 "[ . 1 . 2]" 1
227 2 10 ILE H 2 10 ILE HG13 4.000 . 5.000 4.505 4.361 4.661 . 0 0 "[ . 1 . 2]" 1
228 2 16 THR H 2 16 THR MG 4.000 . 5.000 3.426 1.938 3.784 . 0 0 "[ . 1 . 2]" 1
229 2 22 ARG H 2 22 ARG QB 3.000 . 3.500 2.265 2.208 2.507 . 0 0 "[ . 1 . 2]" 1
230 2 18 ARG HB2 2 18 ARG HE 4.000 . 5.000 4.120 1.852 5.276 0.276 3 0 "[ . 1 . 2]" 1
231 2 54 VAL HA 2 54 VAL MG1 3.000 . 3.500 2.532 2.254 3.219 . 0 0 "[ . 1 . 2]" 1
232 2 54 VAL HA 2 54 VAL MG2 3.500 . 4.000 2.598 2.274 3.209 . 0 0 "[ . 1 . 2]" 1
233 2 41 ASN HB3 2 41 ASN HD21 3.000 . 3.500 2.474 2.093 3.206 . 0 0 "[ . 1 . 2]" 1
234 2 41 ASN H 2 41 ASN HB3 2.500 . 3.000 2.559 2.444 2.745 . 0 0 "[ . 1 . 2]" 1
235 2 41 ASN H 2 41 ASN HB2 3.000 . 3.500 2.527 2.341 2.638 . 0 0 "[ . 1 . 2]" 1
236 2 33 LEU QB 2 33 LEU MD1 3.000 . 3.500 2.307 2.107 2.420 . 0 0 "[ . 1 . 2]" 1
237 2 61 LEU H 2 61 LEU QB 2.500 . 3.000 2.746 2.209 3.276 0.276 18 0 "[ . 1 . 2]" 1
238 2 23 GLU HA 2 23 GLU HG3 4.000 . 5.000 3.378 2.463 3.771 . 0 0 "[ . 1 . 2]" 1
239 2 60 LYS HA 2 60 LYS QG 3.000 . 3.500 2.803 2.428 3.479 . 0 0 "[ . 1 . 2]" 1
240 2 57 ARG HA 2 57 ARG QD 4.500 . 5.500 3.691 1.971 4.530 . 0 0 "[ . 1 . 2]" 1
241 2 33 LEU HA 2 33 LEU HG 3.500 . 4.000 3.210 3.104 3.332 . 0 0 "[ . 1 . 2]" 1
242 2 33 LEU HA 2 33 LEU MD1 3.500 . 4.000 2.061 1.799 2.463 0.001 15 0 "[ . 1 . 2]" 1
243 2 47 GLU HA 2 47 GLU QG 3.000 . 3.500 2.606 2.327 3.169 . 0 0 "[ . 1 . 2]" 1
244 2 44 ARG HA 2 44 ARG QG 3.000 . 3.500 2.803 2.561 3.145 . 0 0 "[ . 1 . 2]" 1
245 2 14 ILE HA 2 14 ILE MG 3.000 . 3.500 2.376 2.328 2.428 . 0 0 "[ . 1 . 2]" 1
246 2 10 ILE HB 2 10 ILE HG13 3.000 . 3.500 2.394 2.321 2.491 . 0 0 "[ . 1 . 2]" 1
247 1 26 LEU HA 2 26 LEU QD 4.500 . 5.500 3.060 2.655 3.649 . 0 0 "[ . 1 . 2]" 1
248 1 26 LEU QD 2 26 LEU HA 4.500 . 5.500 3.041 2.603 3.444 . 0 0 "[ . 1 . 2]" 1
249 1 26 LEU HG 2 26 LEU QD 5.000 . 6.000 5.294 4.894 5.807 . 0 0 "[ . 1 . 2]" 1
250 1 26 LEU QD 2 26 LEU HG 5.000 . 6.000 5.277 4.815 5.678 . 0 0 "[ . 1 . 2]" 1
251 1 26 LEU QB 2 26 LEU QD 5.000 . 6.000 3.726 3.233 4.233 . 0 0 "[ . 1 . 2]" 1
252 1 26 LEU QD 2 26 LEU QB 5.000 . 6.000 3.716 3.232 4.236 . 0 0 "[ . 1 . 2]" 1
253 1 26 LEU QB 2 26 LEU HG 4.000 . 5.000 4.308 3.843 4.846 . 0 0 "[ . 1 . 2]" 1
254 1 26 LEU HG 2 26 LEU QB 4.000 . 5.000 4.303 3.910 4.850 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU HA 2 29 LEU HG 4.500 . 5.500 5.483 5.353 5.581 0.081 7 0 "[ . 1 . 2]" 1
256 1 29 LEU HG 2 29 LEU HA 4.500 . 5.500 5.464 5.349 5.556 0.056 14 0 "[ . 1 . 2]" 1
257 1 29 LEU HA 2 29 LEU QD 4.500 . 5.500 2.765 2.670 2.905 . 0 0 "[ . 1 . 2]" 1
258 1 29 LEU QD 2 29 LEU HA 4.500 . 5.500 2.724 2.642 2.817 . 0 0 "[ . 1 . 2]" 1
259 1 29 LEU HG 2 29 LEU QD 4.000 . 5.000 2.276 1.900 2.507 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU QD 2 29 LEU HG 4.000 . 5.000 2.271 2.158 2.435 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU QD 2 29 LEU QD 4.500 . 5.500 2.331 2.149 2.497 . 0 0 "[ . 1 . 2]" 1
262 1 33 LEU HA 2 33 LEU HG 4.000 . 5.000 4.546 4.442 4.697 . 0 0 "[ . 1 . 2]" 1
263 1 33 LEU HG 2 33 LEU HA 4.000 . 5.000 4.549 4.450 4.644 . 0 0 "[ . 1 . 2]" 1
264 1 33 LEU HA 2 33 LEU QD 3.500 . 4.000 1.830 1.720 2.008 0.080 11 0 "[ . 1 . 2]" 1
265 1 33 LEU QD 2 33 LEU HA 3.500 . 4.000 1.834 1.691 1.960 0.109 6 0 "[ . 1 . 2]" 1
266 1 33 LEU HG 2 33 LEU QD 4.000 . 5.000 3.761 3.607 3.925 . 0 0 "[ . 1 . 2]" 1
267 1 33 LEU QD 2 33 LEU HG 4.000 . 5.000 3.717 3.484 3.896 . 0 0 "[ . 1 . 2]" 1
268 1 33 LEU QB 2 33 LEU QD 4.000 . 5.000 2.054 1.896 2.291 . 0 0 "[ . 1 . 2]" 1
269 1 33 LEU QD 2 33 LEU QB 4.000 . 5.000 1.951 1.779 2.221 0.021 6 0 "[ . 1 . 2]" 1
270 1 33 LEU QB 2 33 LEU HG 4.000 . 5.000 4.513 3.986 4.922 . 0 0 "[ . 1 . 2]" 1
271 1 33 LEU HG 2 33 LEU QB 4.000 . 5.000 4.406 3.988 5.013 0.013 15 0 "[ . 1 . 2]" 1
272 1 36 LEU H 2 36 LEU QD 4.000 . 5.000 3.418 3.336 3.517 . 0 0 "[ . 1 . 2]" 1
273 1 36 LEU QD 2 36 LEU H 4.000 . 5.000 3.400 3.253 3.536 . 0 0 "[ . 1 . 2]" 1
274 1 36 LEU HA 2 36 LEU HG 3.500 . 4.000 3.780 3.627 3.931 . 0 0 "[ . 1 . 2]" 1
275 1 36 LEU HG 2 36 LEU HA 3.500 . 4.000 3.765 3.648 3.926 . 0 0 "[ . 1 . 2]" 1
276 1 36 LEU HA 2 36 LEU QD 4.000 . 5.000 3.801 3.732 3.922 . 0 0 "[ . 1 . 2]" 1
277 1 36 LEU QD 2 36 LEU HA 4.000 . 5.000 3.785 3.727 3.857 . 0 0 "[ . 1 . 2]" 1
278 1 36 LEU HG 2 36 LEU QD 4.000 . 5.000 2.627 2.496 2.731 . 0 0 "[ . 1 . 2]" 1
279 1 36 LEU QD 2 36 LEU HG 4.000 . 5.000 2.627 2.514 2.731 . 0 0 "[ . 1 . 2]" 1
280 1 36 LEU QD 2 36 LEU QD 5.000 . 6.000 2.607 2.326 2.784 . 0 0 "[ . 1 . 2]" 1
281 1 40 VAL HA 2 40 VAL QG 4.000 . 5.000 2.210 1.906 2.628 . 0 0 "[ . 1 . 2]" 1
282 1 40 VAL QG 2 40 VAL HA 4.000 . 5.000 2.294 1.920 2.798 . 0 0 "[ . 1 . 2]" 1
283 1 40 VAL HB 2 40 VAL HA 4.000 . 5.000 4.191 2.907 5.227 0.227 12 0 "[ . 1 . 2]" 1
284 1 40 VAL HA 2 40 VAL HB 4.000 . 5.000 4.334 2.907 5.240 0.240 12 0 "[ . 1 . 2]" 1
285 1 40 VAL HB 2 40 VAL QG 4.000 . 5.000 2.885 1.689 4.240 0.111 19 0 "[ . 1 . 2]" 1
286 1 40 VAL QG 2 40 VAL HB 4.000 . 5.000 3.158 1.714 4.293 0.086 9 0 "[ . 1 . 2]" 1
287 1 40 VAL QG 2 40 VAL QG 5.000 . 6.000 2.092 1.589 2.835 0.211 17 0 "[ . 1 . 2]" 1
288 1 43 ARG QG 2 43 ARG QB 3.500 . 4.000 1.755 1.655 1.892 0.145 11 0 "[ . 1 . 2]" 1
289 1 43 ARG QB 2 43 ARG QG 3.500 . 4.000 1.802 1.688 2.715 0.112 18 0 "[ . 1 . 2]" 1
290 1 43 ARG HA 2 43 ARG QG 4.000 . 5.000 3.919 3.811 4.381 . 0 0 "[ . 1 . 2]" 1
291 1 43 ARG QG 2 43 ARG HA 4.000 . 5.000 3.838 3.428 4.029 . 0 0 "[ . 1 . 2]" 1
292 1 43 ARG HE 2 43 ARG QG 4.000 . 5.000 5.916 4.952 6.380 1.380 1 18 "[+*******-**** *** **]" 1
293 1 43 ARG QG 2 43 ARG HE 4.000 . 5.000 6.002 4.953 6.701 1.701 9 18 "[********+*-** *** **]" 1
294 1 43 ARG QB 2 43 ARG QB 4.000 . 5.000 1.990 1.622 3.061 0.178 1 0 "[ . 1 . 2]" 1
295 1 47 GLU HA 2 47 GLU QB 4.500 . 5.500 4.742 3.595 5.647 0.147 9 0 "[ . 1 . 2]" 1
296 1 47 GLU QB 2 47 GLU HA 4.500 . 5.500 4.635 3.549 5.592 0.092 20 0 "[ . 1 . 2]" 1
297 1 47 GLU QB 2 47 GLU QG 5.000 . 6.000 2.733 1.691 4.522 0.109 15 0 "[ . 1 . 2]" 1
298 1 47 GLU QG 2 47 GLU QB 5.000 . 6.000 3.040 1.787 4.421 0.013 2 0 "[ . 1 . 2]" 1
299 1 50 ALA MB 2 50 ALA H 4.000 . 5.000 4.923 4.468 5.108 0.108 2 0 "[ . 1 . 2]" 1
300 1 50 ALA H 2 50 ALA MB 4.000 . 5.000 4.930 4.469 5.170 0.170 13 0 "[ . 1 . 2]" 1
301 1 6 GLU H 1 7 ALA HA 4.000 . 5.000 5.094 5.048 5.159 0.159 11 0 "[ . 1 . 2]" 1
302 1 10 ILE H 1 11 LEU HA 4.000 . 5.000 5.292 5.259 5.323 0.323 7 0 "[ . 1 . 2]" 1
303 1 6 GLU HA 1 7 ALA H 4.000 . 5.000 3.466 3.370 3.505 . 0 0 "[ . 1 . 2]" 1
304 1 10 ILE HA 1 11 LEU H 3.500 . 4.000 3.501 3.460 3.524 . 0 0 "[ . 1 . 2]" 1
305 1 11 LEU HA 1 12 ASN H 4.000 . 5.000 3.323 3.292 3.429 . 0 0 "[ . 1 . 2]" 1
306 1 12 ASN HA 1 13 ASN H 4.000 . 5.000 2.900 2.823 3.133 . 0 0 "[ . 1 . 2]" 1
307 1 16 THR HA 1 17 LEU H 3.500 . 4.000 3.504 3.468 3.536 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU HA 1 18 ARG H 4.000 . 5.000 3.564 3.531 3.584 . 0 0 "[ . 1 . 2]" 1
309 1 18 ARG HA 1 19 ALA H 3.500 . 4.000 3.479 3.439 3.516 . 0 0 "[ . 1 . 2]" 1
310 1 20 GLN HA 1 21 ALA H 4.000 . 5.000 3.447 3.409 3.458 . 0 0 "[ . 1 . 2]" 1
311 1 21 ALA HA 1 22 ARG H 3.500 . 4.000 3.431 3.415 3.457 . 0 0 "[ . 1 . 2]" 1
312 1 22 ARG HA 1 23 GLU H 4.000 . 5.000 3.478 3.464 3.491 . 0 0 "[ . 1 . 2]" 1
313 1 23 GLU HA 1 24 SER H 4.000 . 5.000 2.959 2.727 3.523 . 0 0 "[ . 1 . 2]" 1
314 1 6 GLU QB 1 7 ALA H 4.000 . 5.000 2.924 2.682 3.730 . 0 0 "[ . 1 . 2]" 1
315 1 7 ALA MB 1 8 LEU H 4.000 . 5.000 2.831 2.735 2.906 . 0 0 "[ . 1 . 2]" 1
316 1 15 ARG QB 1 16 THR H 4.000 . 5.000 3.197 3.143 3.315 . 0 0 "[ . 1 . 2]" 1
317 1 16 THR HB 1 17 LEU H 4.000 . 5.000 3.094 2.640 4.037 . 0 0 "[ . 1 . 2]" 1
318 1 18 ARG HB3 1 19 ALA H 4.000 . 5.000 3.163 2.650 4.004 . 0 0 "[ . 1 . 2]" 1
319 1 18 ARG HB2 1 19 ALA H 4.000 . 5.000 3.771 2.826 4.104 . 0 0 "[ . 1 . 2]" 1
320 1 19 ALA MB 1 20 GLN H 4.000 . 5.000 2.335 2.249 2.471 . 0 0 "[ . 1 . 2]" 1
321 1 20 GLN HB3 1 21 ALA H 4.000 . 5.000 3.820 2.426 4.049 . 0 0 "[ . 1 . 2]" 1
322 1 20 GLN HB2 1 21 ALA H 4.000 . 5.000 3.766 2.600 3.991 . 0 0 "[ . 1 . 2]" 1
323 1 21 ALA MB 1 22 ARG H 4.000 . 5.000 2.990 2.923 3.053 . 0 0 "[ . 1 . 2]" 1
324 1 23 GLU QB 1 24 SER H 4.000 . 5.000 3.846 2.676 4.062 . 0 0 "[ . 1 . 2]" 1
325 1 6 GLU QG 1 7 ALA H 3.500 . 4.000 3.761 2.648 4.179 0.179 9 0 "[ . 1 . 2]" 1
326 1 23 GLU HG3 1 24 SER H 4.000 . 5.000 4.560 2.285 5.984 0.984 20 5 "[ * * *. - +]" 1
327 1 17 LEU QD 1 18 ARG H 4.000 . 5.000 2.960 2.508 3.576 . 0 0 "[ . 1 . 2]" 1
328 1 6 GLU H 1 7 ALA H 4.000 . 5.000 2.444 2.375 2.523 . 0 0 "[ . 1 . 2]" 1
329 1 7 ALA H 1 8 LEU H 4.000 . 5.000 2.320 2.206 2.442 . 0 0 "[ . 1 . 2]" 1
330 1 8 LEU H 1 9 LYS H 4.000 . 5.000 2.316 2.220 2.369 . 0 0 "[ . 1 . 2]" 1
331 1 9 LYS H 1 10 ILE H 3.500 . 4.000 2.404 2.329 2.470 . 0 0 "[ . 1 . 2]" 1
332 1 10 ILE H 1 11 LEU H 3.500 . 4.000 2.734 2.661 2.800 . 0 0 "[ . 1 . 2]" 1
333 1 11 LEU H 1 12 ASN H 3.500 . 4.000 2.073 1.978 2.267 . 0 0 "[ . 1 . 2]" 1
334 1 12 ASN H 1 13 ASN H 4.000 . 5.000 2.594 2.395 2.657 . 0 0 "[ . 1 . 2]" 1
335 1 15 ARG H 1 16 THR H 3.500 . 4.000 2.853 2.732 2.969 . 0 0 "[ . 1 . 2]" 1
336 1 16 THR H 1 17 LEU H 4.000 . 5.000 2.416 2.258 2.538 . 0 0 "[ . 1 . 2]" 1
337 1 17 LEU H 1 18 ARG H 3.500 . 4.000 2.833 2.713 2.955 . 0 0 "[ . 1 . 2]" 1
338 1 18 ARG H 1 19 ALA H 4.000 . 5.000 2.827 2.759 2.889 . 0 0 "[ . 1 . 2]" 1
339 1 19 ALA H 1 20 GLN H 4.000 . 5.000 2.508 2.306 2.599 . 0 0 "[ . 1 . 2]" 1
340 1 20 GLN H 1 21 ALA H 4.000 . 5.000 2.525 2.435 2.617 . 0 0 "[ . 1 . 2]" 1
341 1 21 ALA H 1 22 ARG H 4.000 . 5.000 2.249 2.222 2.285 . 0 0 "[ . 1 . 2]" 1
342 1 22 ARG H 1 23 GLU H 4.000 . 5.000 2.805 2.718 2.857 . 0 0 "[ . 1 . 2]" 1
343 1 23 GLU H 1 24 SER H 3.500 . 4.000 2.942 2.605 3.053 . 0 0 "[ . 1 . 2]" 1
344 1 5 SER QB 1 6 GLU HA 4.000 . 5.000 4.234 3.900 4.741 . 0 0 "[ . 1 . 2]" 1
345 1 9 LYS HA 1 10 ILE MG 4.000 . 5.000 4.589 4.491 4.730 . 0 0 "[ . 1 . 2]" 1
346 1 31 GLU H 1 32 MET HA 4.000 . 5.000 5.119 5.098 5.150 0.150 16 0 "[ . 1 . 2]" 1
347 1 46 GLU H 1 47 GLU HA 4.000 . 5.000 5.075 5.027 5.102 0.102 4 0 "[ . 1 . 2]" 1
348 1 24 SER HA 1 25 THR H 3.500 . 4.000 2.791 2.389 3.116 . 0 0 "[ . 1 . 2]" 1
349 1 29 LEU HA 1 30 GLU H 3.500 . 4.000 3.560 3.543 3.595 . 0 0 "[ . 1 . 2]" 1
350 1 30 GLU HA 1 31 GLU H 3.500 . 4.000 3.430 3.389 3.449 . 0 0 "[ . 1 . 2]" 1
351 1 33 LEU HA 1 34 GLU H 3.500 . 4.000 3.514 3.440 3.561 . 0 0 "[ . 1 . 2]" 1
352 1 34 GLU HA 1 35 LYS H 3.500 . 4.000 3.500 3.473 3.517 . 0 0 "[ . 1 . 2]" 1
353 1 35 LYS HA 1 36 LEU H 3.500 . 4.000 3.437 3.397 3.473 . 0 0 "[ . 1 . 2]" 1
354 1 42 GLU HA 1 43 ARG H 4.000 . 5.000 3.529 3.479 3.557 . 0 0 "[ . 1 . 2]" 1
355 1 43 ARG HA 1 44 ARG H 3.500 . 4.000 3.529 3.451 3.570 . 0 0 "[ . 1 . 2]" 1
356 1 44 ARG HA 1 45 GLU H 3.500 . 4.000 3.533 3.500 3.553 . 0 0 "[ . 1 . 2]" 1
357 1 46 GLU HA 1 47 GLU H 4.000 . 5.000 3.521 3.477 3.562 . 0 0 "[ . 1 . 2]" 1
358 1 53 GLU HA 1 54 VAL H 3.500 . 4.000 3.541 3.471 3.566 . 0 0 "[ . 1 . 2]" 1
359 1 54 VAL HA 1 55 GLU H 4.000 . 5.000 3.112 2.122 3.582 . 0 0 "[ . 1 . 2]" 1
360 1 56 GLU HA 1 57 ARG H 4.000 . 5.000 3.170 2.134 3.570 . 0 0 "[ . 1 . 2]" 1
361 1 58 THR HA 1 59 ARG H 4.000 . 5.000 2.564 2.135 3.568 . 0 0 "[ . 1 . 2]" 1
362 1 60 LYS HA 1 61 LEU H 4.000 . 5.000 3.016 2.177 3.556 . 0 0 "[ . 1 . 2]" 1
363 1 24 SER HB3 1 25 THR H 3.500 . 4.000 2.613 1.737 3.587 0.063 9 0 "[ . 1 . 2]" 1
364 1 24 SER HB2 1 25 THR H 4.000 . 5.000 2.721 1.743 3.750 0.057 12 0 "[ . 1 . 2]" 1
365 1 26 LEU QB 1 27 GLU H 3.500 . 4.000 3.611 3.478 3.681 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLU HB3 1 28 THR H 3.500 . 4.000 3.567 2.914 4.126 0.126 18 0 "[ . 1 . 2]" 1
367 1 27 GLU HB2 1 28 THR H 3.500 . 4.000 4.014 3.940 4.077 0.077 1 0 "[ . 1 . 2]" 1
368 1 28 THR HB 1 29 LEU H 4.000 . 5.000 3.755 2.563 4.008 . 0 0 "[ . 1 . 2]" 1
369 1 33 LEU QB 1 34 GLU H 3.500 . 4.000 2.707 2.472 3.083 . 0 0 "[ . 1 . 2]" 1
370 1 38 VAL HB 1 39 VAL H 4.000 . 5.000 3.812 2.443 3.920 . 0 0 "[ . 1 . 2]" 1
371 1 39 VAL HB 1 40 VAL H 3.500 . 4.000 3.621 3.360 3.930 . 0 0 "[ . 1 . 2]" 1
372 1 41 ASN HB2 1 42 GLU H 4.000 . 5.000 3.807 3.584 3.956 . 0 0 "[ . 1 . 2]" 1
373 1 42 GLU QB 1 43 ARG H 4.000 . 5.000 2.600 2.416 3.383 . 0 0 "[ . 1 . 2]" 1
374 1 47 GLU QB 1 48 SER H 4.000 . 5.000 2.473 2.357 2.611 . 0 0 "[ . 1 . 2]" 1
375 1 48 SER QB 1 49 ALA H 4.000 . 5.000 2.896 2.612 3.458 . 0 0 "[ . 1 . 2]" 1
376 1 52 ALA MB 1 53 GLU H 3.500 . 4.000 2.631 2.437 2.812 . 0 0 "[ . 1 . 2]" 1
377 1 56 GLU QB 1 57 ARG H 4.000 . 5.000 2.794 1.756 4.045 0.044 13 0 "[ . 1 . 2]" 1
378 1 35 LYS H 1 36 LEU HB3 3.500 . 4.000 4.417 4.324 4.635 0.635 6 5 "[ - .+* *1 * 2]" 1
379 1 35 LYS H 1 36 LEU HB2 4.000 . 5.000 4.396 4.260 4.596 . 0 0 "[ . 1 . 2]" 1
380 1 46 GLU H 1 47 GLU QB 3.500 . 4.000 4.189 4.130 4.327 0.327 2 0 "[ . 1 . 2]" 1
381 1 26 LEU HG 1 27 GLU H 3.500 . 4.000 3.644 3.534 3.757 . 0 0 "[ . 1 . 2]" 1
382 1 27 GLU QG 1 28 THR H 3.500 . 4.000 3.125 2.399 3.932 . 0 0 "[ . 1 . 2]" 1
383 1 29 LEU HG 1 30 GLU H 3.500 . 4.000 3.045 2.981 3.111 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLU H 1 32 MET QG 4.000 . 5.000 4.314 3.752 4.510 . 0 0 "[ . 1 . 2]" 1
385 1 31 GLU QG 1 32 MET H 4.000 . 5.000 3.405 3.034 3.980 . 0 0 "[ . 1 . 2]" 1
386 1 33 LEU HG 1 34 GLU H 3.500 . 4.000 3.958 3.500 4.152 0.152 10 0 "[ . 1 . 2]" 1
387 1 34 GLU H 1 35 LYS QG 3.500 . 4.000 3.723 3.495 3.853 . 0 0 "[ . 1 . 2]" 1
388 1 35 LYS QG 1 36 LEU H 4.000 . 5.000 3.637 3.566 3.761 . 0 0 "[ . 1 . 2]" 1
389 1 37 GLU QG 1 38 VAL H 4.000 . 5.000 2.202 1.782 3.899 0.018 2 0 "[ . 1 . 2]" 1
390 1 42 GLU QG 1 43 ARG H 4.000 . 5.000 3.780 2.051 3.996 . 0 0 "[ . 1 . 2]" 1
391 1 47 GLU QG 1 48 SER H 4.000 . 5.000 4.075 3.256 4.388 . 0 0 "[ . 1 . 2]" 1
392 1 54 VAL QG 1 55 GLU H 4.000 . 5.000 2.865 1.807 3.697 . 0 0 "[ . 1 . 2]" 1
393 1 29 LEU MD2 1 30 GLU H 4.000 . 5.000 4.040 4.003 4.076 . 0 0 "[ . 1 . 2]" 1
394 1 29 LEU MD1 1 30 GLU H 4.000 . 5.000 1.728 1.675 1.771 0.125 8 0 "[ . 1 . 2]" 1
395 1 33 LEU QD 1 34 GLU H 4.000 . 5.000 4.002 3.753 4.126 . 0 0 "[ . 1 . 2]" 1
396 1 43 ARG QD 1 44 ARG H 3.500 . 4.000 4.034 3.824 4.160 0.160 12 0 "[ . 1 . 2]" 1
397 1 26 LEU H 1 27 GLU H 4.000 . 5.000 2.633 2.433 2.737 . 0 0 "[ . 1 . 2]" 1
398 1 27 GLU H 1 28 THR H 4.000 . 5.000 2.873 2.796 2.939 . 0 0 "[ . 1 . 2]" 1
399 1 28 THR H 1 29 LEU H 3.500 . 4.000 2.781 2.735 2.805 . 0 0 "[ . 1 . 2]" 1
400 1 29 LEU H 1 30 GLU H 4.000 . 5.000 2.637 2.567 2.728 . 0 0 "[ . 1 . 2]" 1
401 1 30 GLU H 1 31 GLU H 3.500 . 4.000 2.575 2.493 2.621 . 0 0 "[ . 1 . 2]" 1
402 1 31 GLU H 1 32 MET H 4.000 . 5.000 2.514 2.456 2.554 . 0 0 "[ . 1 . 2]" 1
403 1 32 MET H 1 33 LEU H 3.500 . 4.000 2.403 2.366 2.423 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU H 1 34 GLU H 4.000 . 5.000 2.745 2.648 2.822 . 0 0 "[ . 1 . 2]" 1
405 1 35 LYS H 1 36 LEU H 4.000 . 5.000 2.199 2.160 2.268 . 0 0 "[ . 1 . 2]" 1
406 1 37 GLU H 1 38 VAL H 4.000 . 5.000 2.314 2.217 2.390 . 0 0 "[ . 1 . 2]" 1
407 1 38 VAL H 1 39 VAL H 4.000 . 5.000 2.566 2.494 2.680 . 0 0 "[ . 1 . 2]" 1
408 1 39 VAL H 1 40 VAL H 4.000 . 5.000 2.733 2.634 2.787 . 0 0 "[ . 1 . 2]" 1
409 1 40 VAL H 1 41 ASN H 4.000 . 5.000 2.384 2.255 2.458 . 0 0 "[ . 1 . 2]" 1
410 1 42 GLU H 1 43 ARG H 4.000 . 5.000 2.455 2.352 2.559 . 0 0 "[ . 1 . 2]" 1
411 1 43 ARG H 1 44 ARG H 4.000 . 5.000 2.634 2.471 2.759 . 0 0 "[ . 1 . 2]" 1
412 1 45 GLU H 1 46 GLU H 3.500 . 4.000 2.511 2.370 2.631 . 0 0 "[ . 1 . 2]" 1
413 1 47 GLU H 1 48 SER H 3.500 . 4.000 2.769 2.616 2.838 . 0 0 "[ . 1 . 2]" 1
414 1 54 VAL H 1 55 GLU H 3.500 . 4.000 3.157 2.579 4.252 0.252 17 0 "[ . 1 . 2]" 1
415 1 59 ARG H 1 60 LYS H 4.000 . 5.000 3.754 2.038 4.618 . 0 0 "[ . 1 . 2]" 1
416 1 27 GLU QG 1 28 THR HA 4.000 . 5.000 3.738 3.211 4.392 . 0 0 "[ . 1 . 2]" 1
417 1 28 THR HA 1 29 LEU QB 4.500 . 5.500 5.600 5.574 5.615 0.115 16 0 "[ . 1 . 2]" 1
418 1 58 THR HA 1 59 ARG QD 4.000 . 5.000 4.130 2.687 5.180 0.180 17 0 "[ . 1 . 2]" 1
419 1 7 ALA H 1 8 LEU QB 3.500 . 4.000 4.267 4.201 4.398 0.398 18 0 "[ . 1 . 2]" 1
420 1 8 LEU QB 1 9 LYS H 3.500 . 4.000 2.422 2.306 2.623 . 0 0 "[ . 1 . 2]" 1
421 1 8 LEU QD 1 9 LYS H 3.500 . 4.000 3.405 3.194 3.790 . 0 0 "[ . 1 . 2]" 1
422 1 10 ILE HG12 1 11 LEU H 3.500 . 4.000 3.857 3.106 4.498 0.498 3 0 "[ . 1 . 2]" 1
423 1 14 ILE MD 1 15 ARG H 4.000 . 5.000 2.492 1.950 4.114 . 0 0 "[ . 1 . 2]" 1
424 1 16 THR MG 1 17 LEU H 3.500 . 4.000 3.072 1.876 3.563 . 0 0 "[ . 1 . 2]" 1
425 1 20 GLN H 1 21 ALA MB 3.500 . 4.000 4.167 4.120 4.252 0.252 4 0 "[ . 1 . 2]" 1
426 1 28 THR H 1 29 LEU HG 3.500 . 4.000 4.011 3.979 4.044 0.044 5 0 "[ . 1 . 2]" 1
427 1 32 MET H 1 33 LEU QB 4.000 . 5.000 4.070 4.031 4.097 . 0 0 "[ . 1 . 2]" 1
428 1 41 ASN H 1 42 GLU H 4.000 . 5.000 2.672 2.553 2.824 . 0 0 "[ . 1 . 2]" 1
429 1 40 VAL HB 1 41 ASN H 4.000 . 5.000 3.763 2.966 4.187 . 0 0 "[ . 1 . 2]" 1
430 1 40 VAL QG 1 41 ASN H 4.000 . 5.000 2.597 2.230 3.064 . 0 0 "[ . 1 . 2]" 1
431 1 47 GLU H 1 48 SER QB 4.000 . 5.000 4.669 4.383 5.017 0.017 7 0 "[ . 1 . 2]" 1
432 1 48 SER H 1 49 ALA MB 4.000 . 5.000 4.104 4.056 4.133 . 0 0 "[ . 1 . 2]" 1
433 1 14 ILE MG 1 15 ARG H 4.500 . 5.500 4.022 3.910 4.092 . 0 0 "[ . 1 . 2]" 1
434 1 54 VAL HB 1 55 GLU H 4.000 . 5.000 3.823 2.148 4.631 . 0 0 "[ . 1 . 2]" 1
435 1 41 ASN HB3 1 42 GLU H 3.000 . 3.500 2.548 2.341 2.684 . 0 0 "[ . 1 . 2]" 1
436 1 45 GLU HA 1 46 GLU H 3.500 . 4.000 3.556 3.484 3.593 . 0 0 "[ . 1 . 2]" 1
437 1 25 THR HA 1 26 LEU H 3.000 . 3.500 2.474 2.334 2.681 . 0 0 "[ . 1 . 2]" 1
438 2 6 GLU H 2 7 ALA HA 4.000 . 5.000 5.087 5.040 5.136 0.136 18 0 "[ . 1 . 2]" 1
439 2 10 ILE H 2 11 LEU HA 4.000 . 5.000 5.290 5.242 5.356 0.356 5 0 "[ . 1 . 2]" 1
440 2 6 GLU HA 2 7 ALA H 4.000 . 5.000 3.469 3.356 3.519 . 0 0 "[ . 1 . 2]" 1
441 2 10 ILE HA 2 11 LEU H 3.500 . 4.000 3.498 3.452 3.533 . 0 0 "[ . 1 . 2]" 1
442 2 11 LEU HA 2 12 ASN H 4.000 . 5.000 3.340 3.266 3.470 . 0 0 "[ . 1 . 2]" 1
443 2 12 ASN HA 2 13 ASN H 4.000 . 5.000 2.897 2.795 3.061 . 0 0 "[ . 1 . 2]" 1
444 2 16 THR HA 2 17 LEU H 3.500 . 4.000 3.510 3.477 3.539 . 0 0 "[ . 1 . 2]" 1
445 2 17 LEU HA 2 18 ARG H 4.000 . 5.000 3.568 3.552 3.585 . 0 0 "[ . 1 . 2]" 1
446 2 18 ARG HA 2 19 ALA H 3.500 . 4.000 3.477 3.445 3.518 . 0 0 "[ . 1 . 2]" 1
447 2 20 GLN HA 2 21 ALA H 4.000 . 5.000 3.442 3.417 3.455 . 0 0 "[ . 1 . 2]" 1
448 2 21 ALA HA 2 22 ARG H 3.500 . 4.000 3.435 3.417 3.456 . 0 0 "[ . 1 . 2]" 1
449 2 22 ARG HA 2 23 GLU H 4.000 . 5.000 3.479 3.460 3.497 . 0 0 "[ . 1 . 2]" 1
450 2 23 GLU HA 2 24 SER H 4.000 . 5.000 2.998 2.676 3.530 . 0 0 "[ . 1 . 2]" 1
451 2 6 GLU QB 2 7 ALA H 4.000 . 5.000 2.880 2.619 3.689 . 0 0 "[ . 1 . 2]" 1
452 2 7 ALA MB 2 8 LEU H 4.000 . 5.000 2.797 2.613 2.917 . 0 0 "[ . 1 . 2]" 1
453 2 15 ARG QB 2 16 THR H 4.000 . 5.000 3.210 3.138 3.300 . 0 0 "[ . 1 . 2]" 1
454 2 16 THR HB 2 17 LEU H 4.000 . 5.000 2.966 2.664 3.984 . 0 0 "[ . 1 . 2]" 1
455 2 18 ARG HB3 2 19 ALA H 4.000 . 5.000 3.206 2.701 4.031 . 0 0 "[ . 1 . 2]" 1
456 2 18 ARG HB2 2 19 ALA H 4.000 . 5.000 3.788 2.789 4.102 . 0 0 "[ . 1 . 2]" 1
457 2 19 ALA MB 2 20 GLN H 4.000 . 5.000 2.318 2.274 2.389 . 0 0 "[ . 1 . 2]" 1
458 2 20 GLN HB3 2 21 ALA H 4.000 . 5.000 3.916 3.715 4.128 . 0 0 "[ . 1 . 2]" 1
459 2 20 GLN HB2 2 21 ALA H 4.000 . 5.000 3.830 3.672 4.008 . 0 0 "[ . 1 . 2]" 1
460 2 21 ALA MB 2 22 ARG H 4.000 . 5.000 2.976 2.930 3.049 . 0 0 "[ . 1 . 2]" 1
461 2 23 GLU QB 2 24 SER H 4.000 . 5.000 3.698 2.590 4.061 . 0 0 "[ . 1 . 2]" 1
462 2 6 GLU QG 2 7 ALA H 3.500 . 4.000 3.841 2.866 4.232 0.232 6 0 "[ . 1 . 2]" 1
463 2 23 GLU HG3 2 24 SER H 4.000 . 5.000 4.667 2.412 5.953 0.953 12 1 "[ . 1 + . 2]" 1
464 2 17 LEU QD 2 18 ARG H 4.000 . 5.000 2.941 2.460 3.506 . 0 0 "[ . 1 . 2]" 1
465 2 6 GLU H 2 7 ALA H 4.000 . 5.000 2.435 2.367 2.523 . 0 0 "[ . 1 . 2]" 1
466 2 7 ALA H 2 8 LEU H 4.000 . 5.000 2.310 2.153 2.405 . 0 0 "[ . 1 . 2]" 1
467 2 8 LEU H 2 9 LYS H 4.000 . 5.000 2.333 2.176 2.464 . 0 0 "[ . 1 . 2]" 1
468 2 9 LYS H 2 10 ILE H 3.500 . 4.000 2.410 2.344 2.574 . 0 0 "[ . 1 . 2]" 1
469 2 10 ILE H 2 11 LEU H 3.500 . 4.000 2.725 2.578 2.884 . 0 0 "[ . 1 . 2]" 1
470 2 11 LEU H 2 12 ASN H 3.500 . 4.000 2.088 1.953 2.199 . 0 0 "[ . 1 . 2]" 1
471 2 12 ASN H 2 13 ASN H 4.000 . 5.000 2.581 2.378 2.802 . 0 0 "[ . 1 . 2]" 1
472 2 15 ARG H 2 16 THR H 3.500 . 4.000 2.842 2.770 2.927 . 0 0 "[ . 1 . 2]" 1
473 2 16 THR H 2 17 LEU H 4.000 . 5.000 2.413 2.267 2.522 . 0 0 "[ . 1 . 2]" 1
474 2 17 LEU H 2 18 ARG H 3.500 . 4.000 2.855 2.754 2.927 . 0 0 "[ . 1 . 2]" 1
475 2 18 ARG H 2 19 ALA H 4.000 . 5.000 2.824 2.761 2.868 . 0 0 "[ . 1 . 2]" 1
476 2 19 ALA H 2 20 GLN H 4.000 . 5.000 2.521 2.463 2.587 . 0 0 "[ . 1 . 2]" 1
477 2 20 GLN H 2 21 ALA H 4.000 . 5.000 2.520 2.435 2.563 . 0 0 "[ . 1 . 2]" 1
478 2 21 ALA H 2 22 ARG H 4.000 . 5.000 2.247 2.198 2.287 . 0 0 "[ . 1 . 2]" 1
479 2 22 ARG H 2 23 GLU H 4.000 . 5.000 2.810 2.761 2.861 . 0 0 "[ . 1 . 2]" 1
480 2 23 GLU H 2 24 SER H 3.500 . 4.000 2.935 2.652 3.053 . 0 0 "[ . 1 . 2]" 1
481 2 5 SER QB 2 6 GLU HA 4.000 . 5.000 4.302 3.910 4.775 . 0 0 "[ . 1 . 2]" 1
482 2 9 LYS HA 2 10 ILE MG 4.000 . 5.000 4.611 4.459 4.774 . 0 0 "[ . 1 . 2]" 1
483 2 31 GLU H 2 32 MET HA 4.000 . 5.000 5.118 5.104 5.151 0.151 16 0 "[ . 1 . 2]" 1
484 2 46 GLU H 2 47 GLU HA 4.000 . 5.000 5.078 4.960 5.108 0.108 20 0 "[ . 1 . 2]" 1
485 2 24 SER HA 2 25 THR H 3.500 . 4.000 2.812 2.276 3.108 . 0 0 "[ . 1 . 2]" 1
486 2 29 LEU HA 2 30 GLU H 3.500 . 4.000 3.563 3.540 3.592 . 0 0 "[ . 1 . 2]" 1
487 2 30 GLU HA 2 31 GLU H 3.500 . 4.000 3.423 3.381 3.445 . 0 0 "[ . 1 . 2]" 1
488 2 33 LEU HA 2 34 GLU H 3.500 . 4.000 3.510 3.407 3.556 . 0 0 "[ . 1 . 2]" 1
489 2 34 GLU HA 2 35 LYS H 3.500 . 4.000 3.496 3.481 3.511 . 0 0 "[ . 1 . 2]" 1
490 2 35 LYS HA 2 36 LEU H 3.500 . 4.000 3.432 3.409 3.451 . 0 0 "[ . 1 . 2]" 1
491 2 42 GLU HA 2 43 ARG H 4.000 . 5.000 3.534 3.474 3.562 . 0 0 "[ . 1 . 2]" 1
492 2 43 ARG HA 2 44 ARG H 3.500 . 4.000 3.530 3.438 3.570 . 0 0 "[ . 1 . 2]" 1
493 2 44 ARG HA 2 45 GLU H 3.500 . 4.000 3.532 3.504 3.568 . 0 0 "[ . 1 . 2]" 1
494 2 46 GLU HA 2 47 GLU H 4.000 . 5.000 3.522 3.413 3.561 . 0 0 "[ . 1 . 2]" 1
495 2 53 GLU HA 2 54 VAL H 3.500 . 4.000 3.510 3.256 3.563 . 0 0 "[ . 1 . 2]" 1
496 2 54 VAL HA 2 55 GLU H 4.000 . 5.000 3.013 2.119 3.573 . 0 0 "[ . 1 . 2]" 1
497 2 56 GLU HA 2 57 ARG H 4.000 . 5.000 3.157 2.197 3.557 . 0 0 "[ . 1 . 2]" 1
498 2 58 THR HA 2 59 ARG H 4.000 . 5.000 2.598 2.131 3.525 . 0 0 "[ . 1 . 2]" 1
499 2 60 LYS HA 2 61 LEU H 4.000 . 5.000 2.964 2.179 3.582 . 0 0 "[ . 1 . 2]" 1
500 2 24 SER HB3 2 25 THR H 3.500 . 4.000 2.709 1.737 3.796 0.063 3 0 "[ . 1 . 2]" 1
501 2 24 SER HB2 2 25 THR H 4.000 . 5.000 2.508 1.747 3.888 0.053 17 0 "[ . 1 . 2]" 1
502 2 26 LEU QB 2 27 GLU H 3.500 . 4.000 3.623 3.499 3.676 . 0 0 "[ . 1 . 2]" 1
503 2 27 GLU HB3 2 28 THR H 3.500 . 4.000 3.225 2.882 4.088 0.088 14 0 "[ . 1 . 2]" 1
504 2 27 GLU HB2 2 28 THR H 3.500 . 4.000 4.043 3.958 4.092 0.092 19 0 "[ . 1 . 2]" 1
505 2 28 THR HB 2 29 LEU H 4.000 . 5.000 3.556 2.586 4.035 . 0 0 "[ . 1 . 2]" 1
506 2 33 LEU QB 2 34 GLU H 3.500 . 4.000 2.771 2.512 3.118 . 0 0 "[ . 1 . 2]" 1
507 2 38 VAL HB 2 39 VAL H 4.000 . 5.000 3.886 3.799 3.979 . 0 0 "[ . 1 . 2]" 1
508 2 39 VAL HB 2 40 VAL H 3.500 . 4.000 3.684 3.308 3.874 . 0 0 "[ . 1 . 2]" 1
509 2 41 ASN HB2 2 42 GLU H 4.000 . 5.000 3.835 3.614 3.967 . 0 0 "[ . 1 . 2]" 1
510 2 42 GLU QB 2 43 ARG H 4.000 . 5.000 2.603 2.424 3.412 . 0 0 "[ . 1 . 2]" 1
511 2 47 GLU QB 2 48 SER H 4.000 . 5.000 2.503 2.328 2.612 . 0 0 "[ . 1 . 2]" 1
512 2 48 SER QB 2 49 ALA H 4.000 . 5.000 2.712 2.618 3.439 . 0 0 "[ . 1 . 2]" 1
513 2 52 ALA MB 2 53 GLU H 3.500 . 4.000 2.611 2.455 2.718 . 0 0 "[ . 1 . 2]" 1
514 2 56 GLU QB 2 57 ARG H 4.000 . 5.000 2.961 1.756 4.029 0.044 14 0 "[ . 1 . 2]" 1
515 2 35 LYS H 2 36 LEU HB3 3.500 . 4.000 4.417 4.330 4.565 0.565 20 5 "[ * - * 1 . *+]" 1
516 2 35 LYS H 2 36 LEU HB2 4.000 . 5.000 4.371 4.254 4.497 . 0 0 "[ . 1 . 2]" 1
517 2 46 GLU H 2 47 GLU QB 3.500 . 4.000 4.183 4.087 4.329 0.329 2 0 "[ . 1 . 2]" 1
518 2 26 LEU HG 2 27 GLU H 3.500 . 4.000 3.648 3.486 3.739 . 0 0 "[ . 1 . 2]" 1
519 2 27 GLU QG 2 28 THR H 3.500 . 4.000 3.512 2.390 3.955 . 0 0 "[ . 1 . 2]" 1
520 2 29 LEU HG 2 30 GLU H 3.500 . 4.000 3.057 2.966 3.184 . 0 0 "[ . 1 . 2]" 1
521 2 31 GLU H 2 32 MET QG 4.000 . 5.000 4.379 3.831 4.532 . 0 0 "[ . 1 . 2]" 1
522 2 31 GLU QG 2 32 MET H 4.000 . 5.000 3.230 2.796 3.805 . 0 0 "[ . 1 . 2]" 1
523 2 33 LEU HG 2 34 GLU H 3.500 . 4.000 3.912 3.502 4.082 0.082 15 0 "[ . 1 . 2]" 1
524 2 34 GLU H 2 35 LYS QG 3.500 . 4.000 3.708 3.495 3.851 . 0 0 "[ . 1 . 2]" 1
525 2 35 LYS QG 2 36 LEU H 4.000 . 5.000 3.651 3.595 3.752 . 0 0 "[ . 1 . 2]" 1
526 2 37 GLU QG 2 38 VAL H 4.000 . 5.000 2.053 1.774 2.374 0.026 17 0 "[ . 1 . 2]" 1
527 2 42 GLU QG 2 43 ARG H 4.000 . 5.000 3.783 1.978 4.017 . 0 0 "[ . 1 . 2]" 1
528 2 47 GLU QG 2 48 SER H 4.000 . 5.000 4.177 3.446 4.410 . 0 0 "[ . 1 . 2]" 1
529 2 54 VAL QG 2 55 GLU H 4.000 . 5.000 3.005 1.812 3.740 . 0 0 "[ . 1 . 2]" 1
530 2 29 LEU MD2 2 30 GLU H 4.000 . 5.000 4.042 4.012 4.074 . 0 0 "[ . 1 . 2]" 1
531 2 29 LEU MD1 2 30 GLU H 4.000 . 5.000 1.726 1.683 1.760 0.117 15 0 "[ . 1 . 2]" 1
532 2 33 LEU QD 2 34 GLU H 4.000 . 5.000 4.003 3.753 4.143 . 0 0 "[ . 1 . 2]" 1
533 2 43 ARG QD 2 44 ARG H 3.500 . 4.000 4.019 3.725 4.139 0.139 12 0 "[ . 1 . 2]" 1
534 2 26 LEU H 2 27 GLU H 4.000 . 5.000 2.660 2.482 2.733 . 0 0 "[ . 1 . 2]" 1
535 2 27 GLU H 2 28 THR H 4.000 . 5.000 2.875 2.798 2.911 . 0 0 "[ . 1 . 2]" 1
536 2 28 THR H 2 29 LEU H 3.500 . 4.000 2.780 2.728 2.837 . 0 0 "[ . 1 . 2]" 1
537 2 29 LEU H 2 30 GLU H 4.000 . 5.000 2.646 2.580 2.745 . 0 0 "[ . 1 . 2]" 1
538 2 30 GLU H 2 31 GLU H 3.500 . 4.000 2.560 2.495 2.620 . 0 0 "[ . 1 . 2]" 1
539 2 31 GLU H 2 32 MET H 4.000 . 5.000 2.522 2.479 2.567 . 0 0 "[ . 1 . 2]" 1
540 2 32 MET H 2 33 LEU H 3.500 . 4.000 2.403 2.369 2.428 . 0 0 "[ . 1 . 2]" 1
541 2 33 LEU H 2 34 GLU H 4.000 . 5.000 2.722 2.629 2.822 . 0 0 "[ . 1 . 2]" 1
542 2 35 LYS H 2 36 LEU H 4.000 . 5.000 2.184 2.150 2.220 . 0 0 "[ . 1 . 2]" 1
543 2 37 GLU H 2 38 VAL H 4.000 . 5.000 2.319 2.266 2.380 . 0 0 "[ . 1 . 2]" 1
544 2 38 VAL H 2 39 VAL H 4.000 . 5.000 2.566 2.497 2.683 . 0 0 "[ . 1 . 2]" 1
545 2 39 VAL H 2 40 VAL H 4.000 . 5.000 2.727 2.672 2.792 . 0 0 "[ . 1 . 2]" 1
546 2 40 VAL H 2 41 ASN H 4.000 . 5.000 2.372 2.281 2.486 . 0 0 "[ . 1 . 2]" 1
547 2 42 GLU H 2 43 ARG H 4.000 . 5.000 2.447 2.353 2.615 . 0 0 "[ . 1 . 2]" 1
548 2 43 ARG H 2 44 ARG H 4.000 . 5.000 2.624 2.430 2.740 . 0 0 "[ . 1 . 2]" 1
549 2 45 GLU H 2 46 GLU H 3.500 . 4.000 2.506 2.433 2.634 . 0 0 "[ . 1 . 2]" 1
550 2 47 GLU H 2 48 SER H 3.500 . 4.000 2.770 2.666 2.853 . 0 0 "[ . 1 . 2]" 1
551 2 54 VAL H 2 55 GLU H 3.500 . 4.000 3.254 2.635 4.301 0.301 9 0 "[ . 1 . 2]" 1
552 2 59 ARG H 2 60 LYS H 4.000 . 5.000 3.727 1.973 4.636 . 0 0 "[ . 1 . 2]" 1
553 2 27 GLU QG 2 28 THR HA 4.000 . 5.000 3.702 3.237 3.956 . 0 0 "[ . 1 . 2]" 1
554 2 28 THR HA 2 29 LEU QB 4.500 . 5.500 5.599 5.579 5.616 0.116 3 0 "[ . 1 . 2]" 1
555 2 58 THR HA 2 59 ARG QD 4.000 . 5.000 4.496 2.854 5.159 0.159 10 0 "[ . 1 . 2]" 1
556 2 7 ALA H 2 8 LEU QB 3.500 . 4.000 4.283 4.189 4.476 0.476 6 0 "[ . 1 . 2]" 1
557 2 8 LEU QB 2 9 LYS H 3.500 . 4.000 2.435 2.316 2.590 . 0 0 "[ . 1 . 2]" 1
558 2 8 LEU QD 2 9 LYS H 3.500 . 4.000 3.411 3.193 3.734 . 0 0 "[ . 1 . 2]" 1
559 2 10 ILE HG12 2 11 LEU H 3.500 . 4.000 3.877 3.127 4.328 0.328 6 0 "[ . 1 . 2]" 1
560 2 14 ILE MD 2 15 ARG H 4.000 . 5.000 2.643 2.022 3.978 . 0 0 "[ . 1 . 2]" 1
561 2 16 THR MG 2 17 LEU H 3.500 . 4.000 3.406 2.116 3.651 . 0 0 "[ . 1 . 2]" 1
562 2 20 GLN H 2 21 ALA MB 3.500 . 4.000 4.157 4.120 4.191 0.191 5 0 "[ . 1 . 2]" 1
563 2 28 THR H 2 29 LEU HG 3.500 . 4.000 4.011 3.967 4.040 0.040 10 0 "[ . 1 . 2]" 1
564 2 32 MET H 2 33 LEU QB 4.000 . 5.000 4.081 4.012 4.132 . 0 0 "[ . 1 . 2]" 1
565 2 41 ASN H 2 42 GLU H 4.000 . 5.000 2.661 2.548 2.867 . 0 0 "[ . 1 . 2]" 1
566 2 40 VAL HB 2 41 ASN H 4.000 . 5.000 3.750 3.174 4.178 . 0 0 "[ . 1 . 2]" 1
567 2 40 VAL QG 2 41 ASN H 4.000 . 5.000 2.629 2.040 2.938 . 0 0 "[ . 1 . 2]" 1
568 2 47 GLU H 2 48 SER QB 4.000 . 5.000 4.585 4.442 4.911 . 0 0 "[ . 1 . 2]" 1
569 2 48 SER H 2 49 ALA MB 4.000 . 5.000 4.094 4.006 4.126 . 0 0 "[ . 1 . 2]" 1
570 2 14 ILE MG 2 15 ARG H 4.500 . 5.500 4.013 3.943 4.073 . 0 0 "[ . 1 . 2]" 1
571 2 54 VAL HB 2 55 GLU H 4.000 . 5.000 3.621 1.838 4.635 . 0 0 "[ . 1 . 2]" 1
572 2 41 ASN HB3 2 42 GLU H 3.000 . 3.500 2.579 2.297 2.738 . 0 0 "[ . 1 . 2]" 1
573 2 45 GLU HA 2 46 GLU H 3.500 . 4.000 3.559 3.504 3.582 . 0 0 "[ . 1 . 2]" 1
574 2 25 THR HA 2 26 LEU H 3.000 . 3.500 2.462 2.333 2.852 . 0 0 "[ . 1 . 2]" 1
575 1 33 LEU MD1 2 32 MET ME 4.500 . 5.500 5.710 4.697 6.191 0.691 6 3 "[ *-+ 1 . 2]" 1
576 1 32 MET ME 2 33 LEU MD1 4.500 . 5.500 5.727 4.440 6.118 0.618 11 3 "[ - 1+ . *2]" 1
577 1 40 VAL QG 2 39 VAL QG 4.000 . 5.000 1.609 1.462 1.851 0.338 8 0 "[ . 1 . 2]" 1
578 1 39 VAL QG 2 40 VAL QG 4.000 . 5.000 1.597 1.479 1.852 0.321 9 0 "[ . 1 . 2]" 1
579 1 8 LEU H 1 10 ILE HB 4.000 . 5.000 5.019 4.840 5.192 0.192 3 0 "[ . 1 . 2]" 1
580 1 10 ILE HB 1 12 ASN H 4.000 . 5.000 5.117 4.887 5.247 0.247 9 0 "[ . 1 . 2]" 1
581 1 13 ASN HB3 1 16 THR H 3.500 . 4.000 3.608 3.080 4.007 0.007 1 0 "[ . 1 . 2]" 1
582 1 13 ASN HB2 1 16 THR H 4.000 . 5.000 3.096 2.847 3.541 . 0 0 "[ . 1 . 2]" 1
583 1 19 ALA MB 1 21 ALA H 3.500 . 4.000 4.236 4.128 4.380 0.380 4 0 "[ . 1 . 2]" 1
584 1 19 ALA MB 1 22 ARG H 3.500 . 4.000 4.221 4.116 4.337 0.337 16 0 "[ . 1 . 2]" 1
585 1 21 ALA MB 1 25 THR H 4.000 . 5.000 5.021 4.475 5.204 0.204 18 0 "[ . 1 . 2]" 1
586 1 15 ARG QG 1 17 LEU H 4.000 . 5.000 3.882 3.633 3.996 . 0 0 "[ . 1 . 2]" 1
587 1 14 ILE MG 1 18 ARG H 4.000 . 5.000 4.743 4.273 5.019 0.019 8 0 "[ . 1 . 2]" 1
588 1 17 LEU QD 1 19 ALA H 3.500 . 4.000 4.137 3.923 4.283 0.283 14 0 "[ . 1 . 2]" 1
589 1 17 LEU QD 1 20 GLN H 4.000 . 5.000 4.142 3.841 4.538 . 0 0 "[ . 1 . 2]" 1
590 1 5 SER HA 1 7 ALA H 4.000 . 5.000 4.073 3.276 4.750 . 0 0 "[ . 1 . 2]" 1
591 1 6 GLU HA 1 9 LYS H 3.500 . 4.000 3.302 3.074 3.472 . 0 0 "[ . 1 . 2]" 1
592 1 9 LYS HA 1 12 ASN H 4.000 . 5.000 2.832 2.659 2.968 . 0 0 "[ . 1 . 2]" 1
593 1 17 LEU HA 1 19 ALA H 3.500 . 4.000 3.952 3.807 4.111 0.111 9 0 "[ . 1 . 2]" 1
594 1 18 ARG HA 1 21 ALA H 3.500 . 4.000 3.982 3.725 4.154 0.154 12 0 "[ . 1 . 2]" 1
595 1 20 GLN HA 1 22 ARG H 3.500 . 4.000 4.091 4.036 4.184 0.184 4 0 "[ . 1 . 2]" 1
596 1 22 ARG HA 1 24 SER H 3.500 . 4.000 3.766 3.395 4.119 0.119 12 0 "[ . 1 . 2]" 1
597 1 7 ALA H 1 9 LYS H 3.500 . 4.000 3.964 3.730 4.116 0.116 12 0 "[ . 1 . 2]" 1
598 1 9 LYS H 1 12 ASN H 3.500 . 4.000 4.221 4.124 4.279 0.279 12 0 "[ . 1 . 2]" 1
599 1 8 LEU H 1 10 ILE H 4.000 . 5.000 3.521 3.449 3.690 . 0 0 "[ . 1 . 2]" 1
600 1 10 ILE H 1 12 ASN H 3.500 . 4.000 3.330 3.113 3.462 . 0 0 "[ . 1 . 2]" 1
601 1 15 ARG H 1 17 LEU H 3.500 . 4.000 3.923 3.753 4.059 0.059 12 0 "[ . 1 . 2]" 1
602 1 21 ALA H 1 23 GLU H 3.500 . 4.000 4.240 4.161 4.307 0.307 16 0 "[ . 1 . 2]" 1
603 1 22 ARG H 1 24 SER H 4.000 . 5.000 4.548 4.245 4.711 . 0 0 "[ . 1 . 2]" 1
604 1 7 ALA HA 1 10 ILE MD 4.000 . 5.000 3.782 3.125 4.654 . 0 0 "[ . 1 . 2]" 1
605 1 7 ALA HA 1 11 LEU QB 4.000 . 5.000 5.120 4.519 5.258 0.258 11 0 "[ . 1 . 2]" 1
606 1 8 LEU HA 1 11 LEU QB 4.000 . 5.000 4.973 3.243 5.165 0.165 12 0 "[ . 1 . 2]" 1
607 1 14 ILE HB 1 17 LEU QB 4.000 . 5.000 3.978 3.584 4.221 . 0 0 "[ . 1 . 2]" 1
608 1 38 VAL HB 1 42 GLU H 4.000 . 5.000 4.966 4.688 5.281 0.281 5 0 "[ . 1 . 2]" 1
609 1 42 GLU QB 1 45 GLU H 4.000 . 5.000 5.081 4.992 5.185 0.185 5 0 "[ . 1 . 2]" 1
610 1 50 ALA MB 1 54 VAL H 4.000 . 5.000 4.624 4.323 5.020 0.020 18 0 "[ . 1 . 2]" 1
611 1 29 LEU HG 1 31 GLU H 4.000 . 5.000 5.078 5.017 5.108 0.108 17 0 "[ . 1 . 2]" 1
612 1 40 VAL QG 1 44 ARG H 4.000 . 5.000 2.674 2.080 3.658 . 0 0 "[ . 1 . 2]" 1
613 1 27 GLU H 1 29 LEU MD1 3.500 . 4.000 4.130 4.081 4.227 0.227 6 0 "[ . 1 . 2]" 1
614 1 29 LEU MD1 1 31 GLU H 3.500 . 4.000 3.790 3.733 3.834 . 0 0 "[ . 1 . 2]" 1
615 1 25 THR HA 1 27 GLU H 3.500 . 4.000 3.966 3.820 4.114 0.114 15 0 "[ . 1 . 2]" 1
616 1 37 GLU HA 1 40 VAL H 4.000 . 5.000 3.517 3.362 3.633 . 0 0 "[ . 1 . 2]" 1
617 1 39 VAL HA 1 41 ASN H 4.000 . 5.000 4.226 4.021 4.450 . 0 0 "[ . 1 . 2]" 1
618 1 39 VAL HA 1 42 GLU H 4.000 . 5.000 4.016 3.847 4.255 . 0 0 "[ . 1 . 2]" 1
619 1 40 VAL HA 1 43 ARG H 4.000 . 5.000 2.724 2.557 3.040 . 0 0 "[ . 1 . 2]" 1
620 1 41 ASN HA 1 44 ARG H 4.000 . 5.000 3.855 3.322 4.466 . 0 0 "[ . 1 . 2]" 1
621 1 41 ASN HA 1 45 GLU H 3.500 . 4.000 4.202 4.080 4.287 0.287 4 0 "[ . 1 . 2]" 1
622 1 42 GLU H 1 44 ARG H 3.500 . 4.000 4.065 3.709 4.221 0.221 11 0 "[ . 1 . 2]" 1
623 1 38 VAL HA 1 41 ASN HB3 4.000 . 5.000 2.001 1.794 2.238 0.006 13 0 "[ . 1 . 2]" 1
624 1 38 VAL HA 1 42 GLU QG 4.000 . 5.000 4.338 4.139 4.600 . 0 0 "[ . 1 . 2]" 1
625 1 48 SER HA 1 51 ALA MB 4.000 . 5.000 2.681 2.412 3.051 . 0 0 "[ . 1 . 2]" 1
626 1 35 LYS HA 1 38 VAL H 4.000 . 5.000 3.073 2.928 3.249 . 0 0 "[ . 1 . 2]" 1
627 1 8 LEU H 1 13 ASN HD22 4.000 . 5.000 4.716 4.554 5.121 0.121 3 0 "[ . 1 . 2]" 1
628 1 8 LEU H 1 11 LEU QD 4.500 . 5.500 5.457 5.338 5.606 0.106 3 0 "[ . 1 . 2]" 1
629 1 9 LYS QD 1 11 LEU H 4.000 . 5.000 5.021 4.594 5.249 0.249 2 0 "[ . 1 . 2]" 1
630 1 10 ILE HG12 1 12 ASN H 4.500 . 5.500 5.352 4.756 6.006 0.506 3 1 "[ + . 1 . 2]" 1
631 1 9 LYS QD 1 12 ASN H 3.500 . 4.000 3.868 3.576 4.179 0.179 4 0 "[ . 1 . 2]" 1
632 1 17 LEU QD 1 21 ALA H 4.000 . 5.000 2.879 2.588 3.168 . 0 0 "[ . 1 . 2]" 1
633 1 17 LEU QD 1 22 ARG H 3.500 . 4.000 4.248 4.144 4.422 0.422 9 0 "[ . 1 . 2]" 1
634 1 21 ALA MB 1 24 SER H 3.500 . 4.000 4.166 4.050 4.298 0.298 17 0 "[ . 1 . 2]" 1
635 1 26 LEU H 1 29 LEU HG 4.000 . 5.000 5.197 5.115 5.238 0.238 19 0 "[ . 1 . 2]" 1
636 1 26 LEU H 1 29 LEU MD1 4.000 . 5.000 5.103 5.045 5.155 0.155 20 0 "[ . 1 . 2]" 1
637 1 27 GLU H 1 29 LEU HG 4.000 . 5.000 4.646 4.612 4.689 . 0 0 "[ . 1 . 2]" 1
638 1 35 LYS QG 1 37 GLU H 4.000 . 5.000 5.256 5.143 5.326 0.326 15 0 "[ . 1 . 2]" 1
639 1 40 VAL QG 1 43 ARG H 4.000 . 5.000 3.726 3.332 3.952 . 0 0 "[ . 1 . 2]" 1
640 1 47 GLU H 1 49 ALA MB 3.500 . 4.000 4.288 4.221 4.330 0.330 3 0 "[ . 1 . 2]" 1
641 1 25 THR HB 1 27 GLU HA 4.000 . 5.000 4.873 4.691 5.085 0.085 15 0 "[ . 1 . 2]" 1
642 2 8 LEU H 2 10 ILE HB 4.000 . 5.000 5.054 4.786 5.154 0.154 6 0 "[ . 1 . 2]" 1
643 2 10 ILE HB 2 12 ASN H 4.000 . 5.000 5.135 4.869 5.334 0.334 9 0 "[ . 1 . 2]" 1
644 2 13 ASN HB3 2 16 THR H 3.500 . 4.000 3.558 3.206 4.007 0.007 1 0 "[ . 1 . 2]" 1
645 2 13 ASN HB2 2 16 THR H 4.000 . 5.000 3.069 2.846 3.382 . 0 0 "[ . 1 . 2]" 1
646 2 19 ALA MB 2 21 ALA H 3.500 . 4.000 4.212 4.142 4.271 0.271 5 0 "[ . 1 . 2]" 1
647 2 19 ALA MB 2 22 ARG H 3.500 . 4.000 4.225 4.188 4.337 0.337 16 0 "[ . 1 . 2]" 1
648 2 21 ALA MB 2 25 THR H 4.000 . 5.000 5.037 4.490 5.246 0.246 2 0 "[ . 1 . 2]" 1
649 2 15 ARG QG 2 17 LEU H 4.000 . 5.000 3.893 3.707 3.992 . 0 0 "[ . 1 . 2]" 1
650 2 14 ILE MG 2 18 ARG H 4.000 . 5.000 4.689 4.264 4.939 . 0 0 "[ . 1 . 2]" 1
651 2 17 LEU QD 2 19 ALA H 3.500 . 4.000 4.126 3.988 4.270 0.270 7 0 "[ . 1 . 2]" 1
652 2 17 LEU QD 2 20 GLN H 4.000 . 5.000 4.180 3.784 4.455 . 0 0 "[ . 1 . 2]" 1
653 2 5 SER HA 2 7 ALA H 4.000 . 5.000 4.149 3.341 4.967 . 0 0 "[ . 1 . 2]" 1
654 2 6 GLU HA 2 9 LYS H 3.500 . 4.000 3.354 3.127 3.602 . 0 0 "[ . 1 . 2]" 1
655 2 9 LYS HA 2 12 ASN H 4.000 . 5.000 2.823 2.685 2.965 . 0 0 "[ . 1 . 2]" 1
656 2 17 LEU HA 2 19 ALA H 3.500 . 4.000 3.944 3.809 4.112 0.112 13 0 "[ . 1 . 2]" 1
657 2 18 ARG HA 2 21 ALA H 3.500 . 4.000 3.972 3.724 4.066 0.066 7 0 "[ . 1 . 2]" 1
658 2 20 GLN HA 2 22 ARG H 3.500 . 4.000 4.089 3.930 4.160 0.160 5 0 "[ . 1 . 2]" 1
659 2 22 ARG HA 2 24 SER H 3.500 . 4.000 3.778 3.417 4.128 0.128 17 0 "[ . 1 . 2]" 1
660 2 7 ALA H 2 9 LYS H 3.500 . 4.000 3.947 3.676 4.093 0.093 8 0 "[ . 1 . 2]" 1
661 2 9 LYS H 2 12 ASN H 3.500 . 4.000 4.206 4.113 4.276 0.276 10 0 "[ . 1 . 2]" 1
662 2 8 LEU H 2 10 ILE H 4.000 . 5.000 3.560 3.462 3.738 . 0 0 "[ . 1 . 2]" 1
663 2 10 ILE H 2 12 ASN H 3.500 . 4.000 3.354 3.116 3.583 . 0 0 "[ . 1 . 2]" 1
664 2 15 ARG H 2 17 LEU H 3.500 . 4.000 3.948 3.767 4.035 0.035 1 0 "[ . 1 . 2]" 1
665 2 21 ALA H 2 23 GLU H 3.500 . 4.000 4.232 4.181 4.306 0.306 16 0 "[ . 1 . 2]" 1
666 2 22 ARG H 2 24 SER H 4.000 . 5.000 4.540 4.281 4.745 . 0 0 "[ . 1 . 2]" 1
667 2 7 ALA HA 2 10 ILE MD 4.000 . 5.000 3.763 3.085 4.745 . 0 0 "[ . 1 . 2]" 1
668 2 7 ALA HA 2 11 LEU QB 4.000 . 5.000 5.061 4.372 5.272 0.272 18 0 "[ . 1 . 2]" 1
669 2 8 LEU HA 2 11 LEU QB 4.000 . 5.000 4.782 3.397 5.124 0.124 2 0 "[ . 1 . 2]" 1
670 2 14 ILE HB 2 17 LEU QB 4.000 . 5.000 3.993 3.621 4.268 . 0 0 "[ . 1 . 2]" 1
671 2 38 VAL HB 2 42 GLU H 4.000 . 5.000 4.969 4.752 5.049 0.049 8 0 "[ . 1 . 2]" 1
672 2 42 GLU QB 2 45 GLU H 4.000 . 5.000 5.091 5.023 5.151 0.151 13 0 "[ . 1 . 2]" 1
673 2 50 ALA MB 2 54 VAL H 4.000 . 5.000 4.708 4.445 4.965 . 0 0 "[ . 1 . 2]" 1
674 2 29 LEU HG 2 31 GLU H 4.000 . 5.000 5.067 5.012 5.098 0.098 20 0 "[ . 1 . 2]" 1
675 2 40 VAL QG 2 44 ARG H 4.000 . 5.000 2.741 2.112 3.688 . 0 0 "[ . 1 . 2]" 1
676 2 27 GLU H 2 29 LEU MD1 3.500 . 4.000 4.128 4.043 4.219 0.219 6 0 "[ . 1 . 2]" 1
677 2 29 LEU MD1 2 31 GLU H 3.500 . 4.000 3.779 3.706 3.818 . 0 0 "[ . 1 . 2]" 1
678 2 25 THR HA 2 27 GLU H 3.500 . 4.000 3.943 3.819 4.209 0.209 6 0 "[ . 1 . 2]" 1
679 2 37 GLU HA 2 40 VAL H 4.000 . 5.000 3.503 3.392 3.654 . 0 0 "[ . 1 . 2]" 1
680 2 39 VAL HA 2 41 ASN H 4.000 . 5.000 4.198 4.021 4.485 . 0 0 "[ . 1 . 2]" 1
681 2 39 VAL HA 2 42 GLU H 4.000 . 5.000 4.005 3.859 4.141 . 0 0 "[ . 1 . 2]" 1
682 2 40 VAL HA 2 43 ARG H 4.000 . 5.000 2.707 2.484 3.071 . 0 0 "[ . 1 . 2]" 1
683 2 41 ASN HA 2 44 ARG H 4.000 . 5.000 3.894 3.245 4.493 . 0 0 "[ . 1 . 2]" 1
684 2 41 ASN HA 2 45 GLU H 3.500 . 4.000 4.194 4.015 4.325 0.325 11 0 "[ . 1 . 2]" 1
685 2 42 GLU H 2 44 ARG H 3.500 . 4.000 4.042 3.669 4.158 0.158 20 0 "[ . 1 . 2]" 1
686 2 38 VAL HA 2 41 ASN HB3 4.000 . 5.000 1.997 1.859 2.237 . 0 0 "[ . 1 . 2]" 1
687 2 38 VAL HA 2 42 GLU QG 4.000 . 5.000 4.359 4.154 4.798 . 0 0 "[ . 1 . 2]" 1
688 2 48 SER HA 2 51 ALA MB 4.000 . 5.000 2.689 2.437 2.907 . 0 0 "[ . 1 . 2]" 1
689 2 35 LYS HA 2 38 VAL H 4.000 . 5.000 3.065 2.909 3.261 . 0 0 "[ . 1 . 2]" 1
690 2 8 LEU H 2 13 ASN HD22 4.000 . 5.000 4.794 4.470 5.149 0.149 12 0 "[ . 1 . 2]" 1
691 2 8 LEU H 2 11 LEU QD 4.500 . 5.500 5.487 5.373 5.677 0.177 9 0 "[ . 1 . 2]" 1
692 2 9 LYS QD 2 11 LEU H 4.000 . 5.000 4.947 4.526 5.172 0.172 15 0 "[ . 1 . 2]" 1
693 2 10 ILE HG12 2 12 ASN H 4.500 . 5.500 5.373 4.759 5.681 0.181 4 0 "[ . 1 . 2]" 1
694 2 9 LYS QD 2 12 ASN H 3.500 . 4.000 3.916 3.548 4.255 0.255 4 0 "[ . 1 . 2]" 1
695 2 17 LEU QD 2 21 ALA H 4.000 . 5.000 2.928 2.564 3.163 . 0 0 "[ . 1 . 2]" 1
696 2 17 LEU QD 2 22 ARG H 3.500 . 4.000 4.272 4.223 4.428 0.428 2 0 "[ . 1 . 2]" 1
697 2 21 ALA MB 2 24 SER H 3.500 . 4.000 4.169 4.044 4.296 0.296 13 0 "[ . 1 . 2]" 1
698 2 26 LEU H 2 29 LEU HG 4.000 . 5.000 5.200 5.136 5.277 0.277 11 0 "[ . 1 . 2]" 1
699 2 26 LEU H 2 29 LEU MD1 4.000 . 5.000 5.106 5.042 5.141 0.141 3 0 "[ . 1 . 2]" 1
700 2 27 GLU H 2 29 LEU HG 4.000 . 5.000 4.648 4.620 4.683 . 0 0 "[ . 1 . 2]" 1
701 2 35 LYS QG 2 37 GLU H 4.000 . 5.000 5.266 5.178 5.311 0.311 20 0 "[ . 1 . 2]" 1
702 2 40 VAL QG 2 43 ARG H 4.000 . 5.000 3.753 3.439 3.906 . 0 0 "[ . 1 . 2]" 1
703 2 47 GLU H 2 49 ALA MB 3.500 . 4.000 4.277 4.155 4.314 0.314 11 0 "[ . 1 . 2]" 1
704 2 25 THR HB 2 27 GLU HA 4.000 . 5.000 4.779 4.605 4.909 . 0 0 "[ . 1 . 2]" 1
705 1 26 LEU MD1 2 29 LEU HA 4.500 . 5.500 5.198 5.006 5.469 . 0 0 "[ . 1 . 2]" 1
706 1 29 LEU HA 2 26 LEU MD1 4.500 . 5.500 5.240 4.979 5.402 . 0 0 "[ . 1 . 2]" 1
707 1 40 VAL QG 2 36 LEU HG 4.000 . 5.000 3.216 3.009 3.548 . 0 0 "[ . 1 . 2]" 1
708 1 36 LEU HG 2 40 VAL QG 4.000 . 5.000 3.187 2.943 3.440 . 0 0 "[ . 1 . 2]" 1
709 1 40 VAL QG 2 36 LEU HB2 4.500 . 5.500 4.728 4.587 4.875 . 0 0 "[ . 1 . 2]" 1
710 1 36 LEU HB2 2 40 VAL QG 4.500 . 5.500 4.698 4.557 4.870 . 0 0 "[ . 1 . 2]" 1
711 1 39 VAL QG 2 36 LEU HG 5.000 . 6.000 3.749 3.665 3.879 . 0 0 "[ . 1 . 2]" 1
712 1 36 LEU HG 2 39 VAL QG 5.000 . 6.000 3.738 3.634 3.830 . 0 0 "[ . 1 . 2]" 1
713 1 43 ARG QD 2 40 VAL HA 4.500 . 5.500 4.935 4.380 5.422 . 0 0 "[ . 1 . 2]" 1
714 1 40 VAL HA 2 43 ARG QD 4.500 . 5.500 4.914 4.455 5.455 . 0 0 "[ . 1 . 2]" 1
715 1 37 GLU HA 2 39 VAL QG 3.500 . 4.000 4.009 3.853 4.094 0.094 9 0 "[ . 1 . 2]" 1
716 1 39 VAL QG 2 37 GLU HA 3.500 . 4.000 3.990 3.832 4.097 0.097 14 0 "[ . 1 . 2]" 1
717 1 26 LEU QB 2 29 LEU QD 4.000 . 5.000 3.184 2.865 3.702 . 0 0 "[ . 1 . 2]" 1
718 1 29 LEU QD 2 26 LEU QB 4.000 . 5.000 3.152 2.850 3.571 . 0 0 "[ . 1 . 2]" 1
719 1 26 LEU HG 2 29 LEU QD 4.500 . 5.500 4.002 3.652 4.312 . 0 0 "[ . 1 . 2]" 1
720 1 29 LEU QD 2 26 LEU HG 4.500 . 5.500 3.991 3.633 4.286 . 0 0 "[ . 1 . 2]" 1
721 1 26 LEU QB 2 29 LEU HA 5.000 . 6.000 6.102 6.056 6.169 0.169 18 0 "[ . 1 . 2]" 1
722 1 29 LEU HA 2 26 LEU QB 5.000 . 6.000 6.106 6.017 6.201 0.201 18 0 "[ . 1 . 2]" 1
723 1 33 LEU QB 2 36 LEU QD 4.500 . 5.500 3.604 3.431 3.843 . 0 0 "[ . 1 . 2]" 1
724 1 36 LEU QD 2 33 LEU QB 4.500 . 5.500 3.595 3.269 3.775 . 0 0 "[ . 1 . 2]" 1
725 1 33 LEU HG 2 36 LEU QD 3.500 . 4.000 2.797 2.477 3.054 . 0 0 "[ . 1 . 2]" 1
726 1 36 LEU QD 2 33 LEU HG 3.500 . 4.000 2.781 2.551 3.056 . 0 0 "[ . 1 . 2]" 1
727 1 40 VAL HB 2 43 ARG QG 4.000 . 5.000 4.863 4.448 5.164 0.164 11 0 "[ . 1 . 2]" 1
728 1 43 ARG QG 2 40 VAL HB 4.000 . 5.000 4.825 4.520 5.175 0.175 9 0 "[ . 1 . 2]" 1
729 1 40 VAL QG 2 43 ARG QB 4.500 . 5.500 2.781 2.367 3.127 . 0 0 "[ . 1 . 2]" 1
730 1 43 ARG QB 2 40 VAL QG 4.500 . 5.500 2.769 2.552 3.108 . 0 0 "[ . 1 . 2]" 1
731 1 40 VAL QG 2 43 ARG QG 5.000 . 6.000 2.590 2.337 2.897 . 0 0 "[ . 1 . 2]" 1
732 1 40 VAL QG 2 43 ARG QD 4.500 2.300 5.500 2.701 2.294 3.151 0.006 20 0 "[ . 1 . 2]" 1
733 1 43 ARG QD 2 40 VAL QG 4.500 2.300 5.500 2.804 2.292 4.373 0.008 11 0 "[ . 1 . 2]" 1
734 1 47 GLU HA 2 50 ALA MB 4.500 . 5.500 4.179 3.732 4.541 . 0 0 "[ . 1 . 2]" 1
735 1 50 ALA MB 2 47 GLU HA 4.500 . 5.500 4.204 3.737 5.125 . 0 0 "[ . 1 . 2]" 1
736 1 40 VAL QG 1 47 GLU H 4.500 . 5.500 5.724 5.509 5.921 0.421 17 0 "[ . 1 . 2]" 1
737 1 40 VAL QG 2 47 GLU H 4.500 . 5.500 6.765 6.389 7.112 1.612 1 20 [+******-************] 1
738 1 26 LEU MD1 2 33 LEU QB 5.500 . 6.500 6.103 5.844 6.390 . 0 0 "[ . 1 . 2]" 1
739 1 33 LEU QB 2 26 LEU MD1 5.500 . 6.500 6.192 5.836 6.395 . 0 0 "[ . 1 . 2]" 1
740 1 38 VAL QG 2 14 ILE MD 4.000 . 5.000 4.461 4.057 4.901 . 0 0 "[ . 1 . 2]" 1
741 1 14 ILE MD 2 38 VAL MG1 4.000 . 5.000 4.518 4.059 5.079 0.079 15 0 "[ . 1 . 2]" 1
742 1 35 LYS QE 2 14 ILE MG 4.000 . 5.000 5.110 5.064 5.169 0.169 11 0 "[ . 1 . 2]" 1
743 1 14 ILE MG 2 35 LYS QE 4.000 . 5.000 5.093 5.026 5.150 0.150 6 0 "[ . 1 . 2]" 1
744 1 40 VAL QG 2 8 LEU QD 4.000 . 5.000 4.081 3.808 4.465 . 0 0 "[ . 1 . 2]" 1
745 1 8 LEU QD 2 40 VAL QG 4.000 . 5.000 4.091 3.811 4.577 . 0 0 "[ . 1 . 2]" 1
746 1 18 ARG HE 2 26 LEU HG 4.500 . 5.500 5.530 4.140 8.169 2.669 6 3 "[ -.+ * . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 326
_Distance_constraint_stats_list.Viol_count 1369
_Distance_constraint_stats_list.Viol_total 4464.966
_Distance_constraint_stats_list.Viol_max 1.051
_Distance_constraint_stats_list.Viol_rms 0.1108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0342
_Distance_constraint_stats_list.Viol_average_violations_only 0.1631
_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 5 SER 0.641 0.130 7 0 "[ . 1 . 2]"
1 6 GLU 0.641 0.130 7 0 "[ . 1 . 2]"
1 7 ALA 10.123 0.412 8 0 "[ . 1 . 2]"
1 8 LEU 7.901 0.229 6 0 "[ . 1 . 2]"
1 9 LYS 4.576 0.229 6 0 "[ . 1 . 2]"
1 10 ILE 14.309 0.439 13 0 "[ . 1 . 2]"
1 11 LEU 8.179 0.180 16 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 2.023 0.189 11 0 "[ . 1 . 2]"
1 14 ILE 54.436 0.477 9 0 "[ . 1 . 2]"
1 15 ARG 2.785 0.189 11 0 "[ . 1 . 2]"
1 16 THR 1.995 0.403 1 0 "[ . 1 . 2]"
1 17 LEU 9.605 0.402 1 0 "[ . 1 . 2]"
1 18 ARG 11.027 0.372 10 0 "[ . 1 . 2]"
1 19 ALA 0.017 0.017 4 0 "[ . 1 . 2]"
1 20 GLN 0.839 0.159 4 0 "[ . 1 . 2]"
1 21 ALA 5.185 0.212 4 0 "[ . 1 . 2]"
1 22 ARG 0.194 0.082 5 0 "[ . 1 . 2]"
1 23 GLU 2.627 0.421 6 0 "[ . 1 . 2]"
1 25 THR 1.410 0.403 1 0 "[ . 1 . 2]"
1 26 LEU 8.379 0.417 14 0 "[ . 1 . 2]"
1 27 GLU 11.648 0.357 2 0 "[ . 1 . 2]"
1 28 THR 2.989 0.403 1 0 "[ . 1 . 2]"
1 29 LEU 3.129 0.211 17 0 "[ . 1 . 2]"
1 30 GLU 12.606 0.370 4 0 "[ . 1 . 2]"
1 31 GLU 0.030 0.014 13 0 "[ . 1 . 2]"
1 32 MET 2.159 0.279 9 0 "[ . 1 . 2]"
1 33 LEU 27.990 0.477 9 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 8.286 0.402 1 0 "[ . 1 . 2]"
1 36 LEU 19.377 0.421 6 0 "[ . 1 . 2]"
1 37 GLU 24.784 0.421 6 0 "[ . 1 . 2]"
1 38 VAL 4.714 0.235 11 0 "[ . 1 . 2]"
1 39 VAL 14.771 0.421 6 0 "[ . 1 . 2]"
1 40 VAL 19.471 0.434 9 0 "[ . 1 . 2]"
1 41 ASN 2.222 0.235 11 0 "[ . 1 . 2]"
1 42 GLU 5.384 0.357 2 0 "[ . 1 . 2]"
1 43 ARG 46.732 1.051 13 19 "[****** *****+-******]"
1 44 ARG 58.175 1.051 13 19 "[****** *****+-******]"
1 45 GLU 16.912 1.051 13 18 "[****** *****+-* ****]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 8.921 0.300 10 0 "[ . 1 . 2]"
1 48 SER 15.827 0.977 4 18 "[***+** * ******-****]"
1 49 ALA 30.807 0.988 9 20 [**-*****+***********]
1 50 ALA 49.728 1.051 13 20 [************+-******]
1 51 ALA 0.243 0.233 14 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.243 0.233 14 0 "[ . 1 . 2]"
1 54 VAL 1.443 0.233 14 0 "[ . 1 . 2]"
1 55 GLU 0.711 0.130 7 0 "[ . 1 . 2]"
1 56 GLU 1.371 0.232 6 0 "[ . 1 . 2]"
1 57 ARG 0.786 0.127 13 0 "[ . 1 . 2]"
1 58 THR 0.660 0.232 6 0 "[ . 1 . 2]"
1 59 ARG 1.787 0.259 20 0 "[ . 1 . 2]"
1 60 LYS 1.014 0.259 20 0 "[ . 1 . 2]"
1 61 LEU 1.127 0.259 20 0 "[ . 1 . 2]"
2 5 SER 0.319 0.090 20 0 "[ . 1 . 2]"
2 6 GLU 0.331 0.090 20 0 "[ . 1 . 2]"
2 7 ALA 10.039 0.387 10 0 "[ . 1 . 2]"
2 8 LEU 8.087 0.265 15 0 "[ . 1 . 2]"
2 9 LYS 4.496 0.249 6 0 "[ . 1 . 2]"
2 10 ILE 14.828 0.477 9 0 "[ . 1 . 2]"
2 11 LEU 10.095 0.279 9 0 "[ . 1 . 2]"
2 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 2.046 0.193 11 0 "[ . 1 . 2]"
2 14 ILE 51.032 0.439 13 0 "[ . 1 . 2]"
2 15 ARG 2.740 0.193 11 0 "[ . 1 . 2]"
2 16 THR 1.901 0.402 1 0 "[ . 1 . 2]"
2 17 LEU 9.186 0.403 1 0 "[ . 1 . 2]"
2 18 ARG 10.897 0.372 10 0 "[ . 1 . 2]"
2 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 GLN 0.881 0.162 17 0 "[ . 1 . 2]"
2 21 ALA 4.275 0.169 20 0 "[ . 1 . 2]"
2 22 ARG 0.348 0.166 8 0 "[ . 1 . 2]"
2 23 GLU 1.699 0.398 6 0 "[ . 1 . 2]"
2 25 THR 1.554 0.402 1 0 "[ . 1 . 2]"
2 26 LEU 9.115 0.434 9 0 "[ . 1 . 2]"
2 27 GLU 11.979 0.370 4 0 "[ . 1 . 2]"
2 28 THR 2.835 0.402 1 0 "[ . 1 . 2]"
2 29 LEU 3.644 0.211 17 0 "[ . 1 . 2]"
2 30 GLU 11.910 0.357 2 0 "[ . 1 . 2]"
2 31 GLU 0.029 0.012 8 0 "[ . 1 . 2]"
2 32 MET 1.848 0.180 16 0 "[ . 1 . 2]"
2 33 LEU 24.822 0.439 13 0 "[ . 1 . 2]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 LYS 8.372 0.403 1 0 "[ . 1 . 2]"
2 36 LEU 19.048 0.398 6 0 "[ . 1 . 2]"
2 37 GLU 21.397 0.403 1 0 "[ . 1 . 2]"
2 38 VAL 3.446 0.241 9 0 "[ . 1 . 2]"
2 39 VAL 11.842 0.403 1 0 "[ . 1 . 2]"
2 40 VAL 18.426 0.417 14 0 "[ . 1 . 2]"
2 41 ASN 1.902 0.188 8 0 "[ . 1 . 2]"
2 42 GLU 5.566 0.370 4 0 "[ . 1 . 2]"
2 43 ARG 47.866 1.013 2 20 [*+***********-******]
2 44 ARG 57.495 1.013 2 20 [*+***********-******]
2 45 GLU 17.115 1.013 2 19 "[*+***********-* ****]"
2 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 GLU 7.698 0.291 9 0 "[ . 1 . 2]"
2 48 SER 16.535 0.988 9 20 [**-*****+***********]
2 49 ALA 30.807 0.988 9 20 [**-*****+***********]
2 50 ALA 51.047 1.051 13 20 [************+-******]
2 51 ALA 2.528 0.919 18 2 "[ . 1 . -+ 2]"
2 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 GLU 2.528 0.919 18 2 "[ . 1 . -+ 2]"
2 54 VAL 3.727 0.919 18 2 "[ . 1 . -+ 2]"
2 55 GLU 0.481 0.162 2 0 "[ . 1 . 2]"
2 56 GLU 0.957 0.162 2 0 "[ . 1 . 2]"
2 57 ARG 0.620 0.102 16 0 "[ . 1 . 2]"
2 58 THR 0.476 0.129 8 0 "[ . 1 . 2]"
2 59 ARG 1.267 0.129 8 0 "[ . 1 . 2]"
2 60 LYS 0.843 0.249 6 0 "[ . 1 . 2]"
2 61 LEU 0.791 0.113 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 THR MG 1 29 LEU H 3.500 . 4.000 2.193 1.786 3.773 0.014 13 0 "[ . 1 . 2]" 2
2 1 27 GLU HB2 1 29 LEU H 4.000 . 5.000 3.761 3.655 3.850 . 0 0 "[ . 1 . 2]" 2
3 1 7 ALA H 1 8 LEU QD 4.000 . 5.000 2.632 2.355 3.340 . 0 0 "[ . 1 . 2]" 2
4 1 9 LYS H 1 10 ILE MG 3.500 . 4.000 3.595 3.460 3.816 . 0 0 "[ . 1 . 2]" 2
5 1 10 ILE H 1 10 ILE MD 3.500 . 4.000 4.044 3.952 4.113 0.113 14 0 "[ . 1 . 2]" 2
6 1 10 ILE MD 1 11 LEU H 4.000 . 5.000 2.752 2.389 3.006 . 0 0 "[ . 1 . 2]" 2
7 1 10 ILE HB 1 11 LEU H 3.500 . 4.000 2.270 2.112 2.393 . 0 0 "[ . 1 . 2]" 2
8 1 10 ILE MD 1 12 ASN H 4.000 . 5.000 3.572 3.393 3.712 . 0 0 "[ . 1 . 2]" 2
9 1 13 ASN H 1 14 ILE HB 4.000 . 5.000 5.101 5.026 5.189 0.189 11 0 "[ . 1 . 2]" 2
10 1 14 ILE HB 1 15 ARG H 4.000 . 5.000 3.881 3.762 4.015 . 0 0 "[ . 1 . 2]" 2
11 1 8 LEU HA 1 15 ARG H 4.000 . 5.000 3.465 3.431 3.485 . 0 0 "[ . 1 . 2]" 2
12 1 14 ILE HB 1 16 THR H 4.000 . 5.000 1.787 1.699 1.965 0.101 6 0 "[ . 1 . 2]" 2
13 1 14 ILE QG 1 18 ARG H 3.500 . 4.000 4.061 3.949 4.212 0.212 4 0 "[ . 1 . 2]" 2
14 1 15 ARG HA 1 18 ARG H 4.000 . 5.000 4.061 3.818 4.331 . 0 0 "[ . 1 . 2]" 2
15 1 17 LEU HA 1 20 GLN H 4.000 . 5.000 3.248 2.952 3.425 . 0 0 "[ . 1 . 2]" 2
16 1 10 ILE MD 1 20 GLN HE22 4.000 . 5.000 5.000 4.890 5.077 0.077 1 0 "[ . 1 . 2]" 2
17 1 10 ILE HG13 1 20 GLN HE22 4.000 . 5.000 3.348 2.395 4.157 . 0 0 "[ . 1 . 2]" 2
18 1 8 LEU QD 1 20 GLN HE21 4.000 . 5.000 4.804 4.512 5.159 0.159 4 0 "[ . 1 . 2]" 2
19 1 7 ALA MB 1 20 GLN HE21 4.000 . 5.000 4.364 3.605 5.153 0.153 11 0 "[ . 1 . 2]" 2
20 1 29 LEU QB 1 30 GLU H 3.500 . 4.000 2.247 2.169 2.435 . 0 0 "[ . 1 . 2]" 2
21 1 33 LEU H 1 33 LEU HG 4.000 . 5.000 4.124 4.063 4.211 . 0 0 "[ . 1 . 2]" 2
22 1 33 LEU MD2 1 35 LYS H 3.500 . 4.000 3.673 3.587 3.733 . 0 0 "[ . 1 . 2]" 2
23 1 34 GLU QG 1 35 LYS H 3.500 . 4.000 3.640 3.398 3.781 . 0 0 "[ . 1 . 2]" 2
24 1 36 LEU QD 1 37 GLU H 4.000 . 5.000 3.242 3.180 3.318 . 0 0 "[ . 1 . 2]" 2
25 1 34 GLU HA 1 37 GLU H 4.000 . 5.000 3.152 2.981 3.195 . 0 0 "[ . 1 . 2]" 2
26 1 35 LYS QD 1 37 GLU H 3.500 . 4.000 4.078 3.988 4.172 0.172 7 0 "[ . 1 . 2]" 2
27 1 36 LEU HA 1 39 VAL H 4.000 . 5.000 3.570 3.423 3.658 . 0 0 "[ . 1 . 2]" 2
28 1 37 GLU QG 1 41 ASN HD21 4.000 . 5.000 3.742 3.553 4.160 . 0 0 "[ . 1 . 2]" 2
29 1 37 GLU QG 1 41 ASN HD22 4.000 . 5.000 5.111 5.041 5.235 0.235 11 0 "[ . 1 . 2]" 2
30 1 38 VAL QG 1 42 GLU H 3.500 . 4.000 3.740 3.407 3.870 . 0 0 "[ . 1 . 2]" 2
31 1 56 GLU H 1 58 THR H 3.500 . 4.000 3.474 2.804 4.232 0.232 6 0 "[ . 1 . 2]" 2
32 1 57 ARG H 1 58 THR H 4.000 . 5.000 2.597 1.925 3.362 . 0 0 "[ . 1 . 2]" 2
33 1 10 ILE HG12 1 10 ILE MG 3.500 . 4.000 2.719 2.238 3.186 . 0 0 "[ . 1 . 2]" 2
34 1 14 ILE MG 1 35 LYS QG 4.000 . 5.000 1.951 1.690 2.863 0.110 13 0 "[ . 1 . 2]" 2
35 1 14 ILE MG 1 35 LYS QG 4.500 . 5.500 1.963 1.692 2.963 0.108 13 0 "[ . 1 . 2]" 2
36 1 14 ILE HB 1 38 VAL QG 4.500 2.300 5.500 2.365 2.189 2.830 0.111 18 0 "[ . 1 . 2]" 2
37 1 9 LYS QE 1 38 VAL QG 3.500 . 4.000 2.021 1.902 2.143 . 0 0 "[ . 1 . 2]" 2
38 1 7 ALA MB 1 40 VAL QG 4.500 . 5.500 1.957 1.691 2.911 0.109 13 0 "[ . 1 . 2]" 2
39 1 17 LEU QD 1 43 ARG HE 4.500 . 5.500 1.924 1.673 2.594 0.127 13 0 "[ . 1 . 2]" 2
40 1 9 LYS HA 1 9 LYS HG3 3.000 . 3.500 3.413 3.193 3.703 0.203 4 0 "[ . 1 . 2]" 2
41 1 8 LEU HG 1 40 VAL QG 4.500 . 5.500 1.934 1.690 2.624 0.110 13 0 "[ . 1 . 2]" 2
42 1 5 SER H 1 6 GLU QB 3.000 . 3.500 2.651 1.670 3.621 0.130 7 0 "[ . 1 . 2]" 2
43 1 43 ARG QB 1 47 GLU QG 4.500 . 5.500 2.954 2.526 4.030 . 0 0 "[ . 1 . 2]" 2
44 1 14 ILE HA 1 14 ILE HB 3.000 . 3.500 2.433 2.378 2.470 . 0 0 "[ . 1 . 2]" 2
45 1 9 LYS H 1 9 LYS QB 3.000 . 3.500 2.280 2.247 2.601 . 0 0 "[ . 1 . 2]" 2
46 1 14 ILE MG 1 37 GLU QG 4.000 . 5.000 2.406 2.228 3.179 . 0 0 "[ . 1 . 2]" 2
47 1 14 ILE HA 1 14 ILE HB 3.000 . 3.500 2.433 2.379 2.470 . 0 0 "[ . 1 . 2]" 2
48 1 9 LYS H 1 9 LYS QB 3.000 . 3.500 2.019 1.934 2.067 . 0 0 "[ . 1 . 2]" 2
49 1 10 ILE H 1 10 ILE HB 3.000 . 3.500 2.523 2.416 2.620 . 0 0 "[ . 1 . 2]" 2
50 1 14 ILE HA 1 17 LEU QB 3.000 . 3.500 2.037 1.787 2.257 0.013 19 0 "[ . 1 . 2]" 2
51 1 50 ALA HA 1 54 VAL QG 3.000 . 3.500 2.466 1.567 3.503 0.233 14 0 "[ . 1 . 2]" 2
52 1 50 ALA HA 1 53 GLU QB 4.000 . 5.000 2.964 2.068 4.212 . 0 0 "[ . 1 . 2]" 2
53 1 15 ARG HE 1 28 THR HB 4.500 . 5.500 4.049 2.018 5.131 . 0 0 "[ . 1 . 2]" 2
54 1 9 LYS H 1 11 LEU HA 3.000 . 3.500 2.901 2.839 2.916 . 0 0 "[ . 1 . 2]" 2
55 1 40 VAL QG 1 43 ARG HA 3.500 . 4.000 3.042 1.867 3.703 . 0 0 "[ . 1 . 2]" 2
56 1 43 ARG HA 1 45 GLU QG 4.500 . 5.500 3.333 1.730 4.349 0.070 2 0 "[ . 1 . 2]" 2
57 1 14 ILE HG12 1 33 LEU HA 3.500 . 4.000 3.214 3.058 3.321 . 0 0 "[ . 1 . 2]" 2
58 1 8 LEU HG 1 33 LEU HA 4.000 . 5.000 3.142 3.006 3.223 . 0 0 "[ . 1 . 2]" 2
59 1 14 ILE HB 1 29 LEU HA 3.500 . 4.000 2.499 2.365 2.678 . 0 0 "[ . 1 . 2]" 2
60 1 9 LYS HG2 1 33 LEU HA 3.500 . 4.000 3.214 3.058 3.321 . 0 0 "[ . 1 . 2]" 2
61 1 43 ARG QG 1 47 GLU HA 4.000 . 5.000 2.476 2.338 2.651 . 0 0 "[ . 1 . 2]" 2
62 1 45 GLU QG 1 47 GLU HA 3.500 . 4.000 2.666 2.327 3.104 . 0 0 "[ . 1 . 2]" 2
63 1 43 ARG HA 1 43 ARG HE 4.000 . 5.000 4.096 2.017 5.131 0.131 2 0 "[ . 1 . 2]" 2
64 1 15 ARG HA 1 33 LEU HG 3.500 . 4.000 2.167 1.940 2.509 . 0 0 "[ . 1 . 2]" 2
65 1 42 GLU H 1 42 GLU HA 3.000 . 3.500 2.870 2.844 2.906 . 0 0 "[ . 1 . 2]" 2
66 1 43 ARG QG 1 44 ARG HA 3.500 . 4.000 2.740 2.489 3.052 . 0 0 "[ . 1 . 2]" 2
67 1 37 GLU HA 1 39 VAL QG 3.000 . 3.500 2.141 1.943 2.363 . 0 0 "[ . 1 . 2]" 2
68 1 8 LEU HG 1 14 ILE HA 3.000 . 3.500 2.417 2.324 2.451 . 0 0 "[ . 1 . 2]" 2
69 1 36 LEU HB3 1 39 VAL HA 3.000 . 3.500 2.483 2.430 2.527 . 0 0 "[ . 1 . 2]" 2
70 1 8 LEU H 1 8 LEU QD 4.000 . 5.000 1.786 1.592 2.673 0.208 8 0 "[ . 1 . 2]" 2
71 1 40 VAL QG 1 44 ARG HB2 3.500 . 4.000 1.936 1.679 2.940 0.121 13 0 "[ . 1 . 2]" 2
72 1 14 ILE HB 1 16 THR HA 4.000 . 5.000 3.106 2.891 3.371 . 0 0 "[ . 1 . 2]" 2
73 1 19 ALA HA 1 22 ARG QB 3.000 . 3.500 2.140 1.783 3.045 0.017 4 0 "[ . 1 . 2]" 2
74 1 59 ARG QB 1 61 LEU QB 4.000 . 5.000 4.200 3.083 5.259 0.259 20 0 "[ . 1 . 2]" 2
75 2 28 THR MG 2 29 LEU H 3.500 . 4.000 2.379 1.788 3.773 0.012 8 0 "[ . 1 . 2]" 2
76 2 27 GLU HB2 2 29 LEU H 4.000 . 5.000 3.778 3.681 3.883 . 0 0 "[ . 1 . 2]" 2
77 2 7 ALA H 2 8 LEU QD 4.000 . 5.000 2.639 2.354 3.230 . 0 0 "[ . 1 . 2]" 2
78 2 9 LYS H 2 10 ILE MG 3.500 . 4.000 3.609 3.431 3.745 . 0 0 "[ . 1 . 2]" 2
79 2 10 ILE H 2 10 ILE MD 3.500 . 4.000 4.061 3.952 4.204 0.204 17 0 "[ . 1 . 2]" 2
80 2 10 ILE MD 2 11 LEU H 4.000 . 5.000 2.782 2.306 3.141 . 0 0 "[ . 1 . 2]" 2
81 2 10 ILE HB 2 11 LEU H 3.500 . 4.000 2.240 2.061 2.401 . 0 0 "[ . 1 . 2]" 2
82 2 10 ILE MD 2 12 ASN H 4.000 . 5.000 3.575 3.400 3.713 . 0 0 "[ . 1 . 2]" 2
83 2 13 ASN H 2 14 ILE HB 4.000 . 5.000 5.102 5.027 5.193 0.193 11 0 "[ . 1 . 2]" 2
84 2 14 ILE HB 2 15 ARG H 4.000 . 5.000 3.846 3.729 3.986 . 0 0 "[ . 1 . 2]" 2
85 2 8 LEU HA 2 15 ARG H 4.000 . 5.000 3.472 3.423 3.503 . 0 0 "[ . 1 . 2]" 2
86 2 14 ILE HB 2 16 THR H 4.000 . 5.000 1.803 1.737 1.966 0.063 11 0 "[ . 1 . 2]" 2
87 2 14 ILE QG 2 18 ARG H 3.500 . 4.000 4.046 3.968 4.119 0.119 18 0 "[ . 1 . 2]" 2
88 2 15 ARG HA 2 18 ARG H 4.000 . 5.000 4.106 3.889 4.321 . 0 0 "[ . 1 . 2]" 2
89 2 17 LEU HA 2 20 GLN H 4.000 . 5.000 3.280 3.095 3.415 . 0 0 "[ . 1 . 2]" 2
90 2 10 ILE MD 2 20 GLN HE22 4.000 . 5.000 5.028 4.933 5.162 0.162 17 0 "[ . 1 . 2]" 2
91 2 10 ILE HG13 2 20 GLN HE22 4.000 . 5.000 3.548 2.395 4.998 . 0 0 "[ . 1 . 2]" 2
92 2 8 LEU QD 2 20 GLN HE21 4.000 . 5.000 4.821 4.611 5.042 0.042 4 0 "[ . 1 . 2]" 2
93 2 7 ALA MB 2 20 GLN HE21 4.000 . 5.000 4.380 3.599 4.864 . 0 0 "[ . 1 . 2]" 2
94 2 29 LEU QB 2 30 GLU H 3.500 . 4.000 2.253 2.203 2.434 . 0 0 "[ . 1 . 2]" 2
95 2 33 LEU H 2 33 LEU HG 4.000 . 5.000 4.111 4.038 4.194 . 0 0 "[ . 1 . 2]" 2
96 2 33 LEU MD2 2 35 LYS H 3.500 . 4.000 3.877 3.739 3.945 . 0 0 "[ . 1 . 2]" 2
97 2 34 GLU QG 2 35 LYS H 3.500 . 4.000 3.642 3.509 3.783 . 0 0 "[ . 1 . 2]" 2
98 2 36 LEU QD 2 37 GLU H 4.000 . 5.000 3.468 3.332 3.584 . 0 0 "[ . 1 . 2]" 2
99 2 34 GLU HA 2 37 GLU H 4.000 . 5.000 3.153 3.104 3.174 . 0 0 "[ . 1 . 2]" 2
100 2 35 LYS QD 2 37 GLU H 3.500 . 4.000 4.090 4.009 4.169 0.169 20 0 "[ . 1 . 2]" 2
101 2 36 LEU HA 2 39 VAL H 4.000 . 5.000 3.585 3.511 3.705 . 0 0 "[ . 1 . 2]" 2
102 2 37 GLU QG 2 41 ASN HD21 4.000 . 5.000 3.732 3.537 4.077 . 0 0 "[ . 1 . 2]" 2
103 2 37 GLU QG 2 41 ASN HD22 4.000 . 5.000 5.095 5.032 5.188 0.188 8 0 "[ . 1 . 2]" 2
104 2 38 VAL MG2 2 42 GLU H 3.500 . 4.000 3.819 3.664 3.929 . 0 0 "[ . 1 . 2]" 2
105 2 56 GLU H 2 58 THR H 3.500 . 4.000 3.499 2.713 4.129 0.129 8 0 "[ . 1 . 2]" 2
106 2 57 ARG H 2 58 THR H 4.000 . 5.000 2.635 1.818 3.965 . 0 0 "[ . 1 . 2]" 2
107 2 10 ILE HG12 2 10 ILE MG 3.500 . 4.000 2.691 2.237 3.186 . 0 0 "[ . 1 . 2]" 2
108 2 14 ILE MG 2 35 LYS QG 4.000 . 5.000 2.099 1.699 3.180 0.101 16 0 "[ . 1 . 2]" 2
109 2 14 ILE MG 2 35 LYS QG 4.500 . 5.500 2.128 1.701 3.383 0.099 16 0 "[ . 1 . 2]" 2
110 2 14 ILE HB 2 38 VAL MG1 4.500 2.300 5.500 2.339 2.243 2.917 0.057 3 0 "[ . 1 . 2]" 2
111 2 9 LYS QE 2 38 VAL MG1 3.500 . 4.000 2.298 2.051 2.441 . 0 0 "[ . 1 . 2]" 2
112 2 7 ALA MB 2 40 VAL QG 4.500 . 5.500 2.111 1.700 3.248 0.100 16 0 "[ . 1 . 2]" 2
113 2 17 LEU QD 2 43 ARG HE 4.500 . 5.500 2.008 1.698 3.000 0.102 16 0 "[ . 1 . 2]" 2
114 2 9 LYS HA 2 9 LYS HG3 3.000 . 3.500 3.436 3.179 3.673 0.173 4 0 "[ . 1 . 2]" 2
115 2 8 LEU HG 2 40 VAL QG 4.500 . 5.500 2.073 1.699 3.169 0.101 16 0 "[ . 1 . 2]" 2
116 2 5 SER H 2 6 GLU QB 3.000 . 3.500 2.796 1.710 3.584 0.090 20 0 "[ . 1 . 2]" 2
117 2 43 ARG QB 2 47 GLU QG 4.500 . 5.500 2.850 2.393 4.180 . 0 0 "[ . 1 . 2]" 2
118 2 14 ILE HA 2 14 ILE HB 3.000 . 3.500 2.441 2.403 2.485 . 0 0 "[ . 1 . 2]" 2
119 2 9 LYS H 2 9 LYS QB 3.000 . 3.500 2.304 2.248 2.637 . 0 0 "[ . 1 . 2]" 2
120 2 14 ILE MG 2 37 GLU QG 4.000 . 5.000 3.332 3.119 3.587 . 0 0 "[ . 1 . 2]" 2
121 2 14 ILE HA 2 14 ILE HB 3.000 . 3.500 2.441 2.404 2.486 . 0 0 "[ . 1 . 2]" 2
122 2 9 LYS H 2 9 LYS QB 3.000 . 3.500 2.012 1.905 2.072 . 0 0 "[ . 1 . 2]" 2
123 2 10 ILE H 2 10 ILE HB 3.000 . 3.500 2.508 2.383 2.617 . 0 0 "[ . 1 . 2]" 2
124 2 14 ILE HA 2 17 LEU QB 3.000 . 3.500 2.034 1.782 2.262 0.018 14 0 "[ . 1 . 2]" 2
125 2 50 ALA HA 2 54 VAL MG2 3.000 . 3.500 2.906 1.633 4.419 0.919 18 2 "[ . 1 . -+ 2]" 2
126 2 50 ALA HA 2 53 GLU QB 4.000 . 5.000 3.105 2.190 4.101 . 0 0 "[ . 1 . 2]" 2
127 2 15 ARG HE 2 28 THR HB 4.500 . 5.500 4.438 2.839 5.233 . 0 0 "[ . 1 . 2]" 2
128 2 9 LYS H 2 11 LEU HA 3.000 . 3.500 2.898 2.869 2.916 . 0 0 "[ . 1 . 2]" 2
129 2 40 VAL QG 2 43 ARG HA 3.500 . 4.000 3.139 1.940 3.863 . 0 0 "[ . 1 . 2]" 2
130 2 43 ARG HA 2 45 GLU QG 4.500 . 5.500 3.152 1.638 4.068 0.162 2 0 "[ . 1 . 2]" 2
131 2 14 ILE HG12 2 33 LEU HA 3.500 . 4.000 3.209 3.104 3.331 . 0 0 "[ . 1 . 2]" 2
132 2 8 LEU HG 2 33 LEU HA 4.000 . 5.000 3.136 3.042 3.258 . 0 0 "[ . 1 . 2]" 2
133 2 14 ILE HB 2 29 LEU HA 3.500 . 4.000 2.454 2.350 2.620 . 0 0 "[ . 1 . 2]" 2
134 2 9 LYS HG2 2 33 LEU HA 3.500 . 4.000 3.209 3.104 3.331 . 0 0 "[ . 1 . 2]" 2
135 2 43 ARG QG 2 47 GLU HA 4.000 . 5.000 2.492 2.317 3.041 . 0 0 "[ . 1 . 2]" 2
136 2 45 GLU QG 2 47 GLU HA 3.500 . 4.000 2.605 2.327 3.161 . 0 0 "[ . 1 . 2]" 2
137 2 43 ARG HA 2 43 ARG HE 4.000 . 5.000 4.473 2.836 5.233 0.233 7 0 "[ . 1 . 2]" 2
138 2 15 ARG HA 2 33 LEU HG 3.500 . 4.000 2.132 1.818 2.475 . 0 0 "[ . 1 . 2]" 2
139 2 42 GLU H 2 42 GLU HA 3.000 . 3.500 2.872 2.815 2.909 . 0 0 "[ . 1 . 2]" 2
140 2 43 ARG QG 2 44 ARG HA 3.500 . 4.000 2.796 2.557 3.128 . 0 0 "[ . 1 . 2]" 2
141 2 37 GLU HA 2 39 VAL QG 3.000 . 3.500 2.123 1.960 2.253 . 0 0 "[ . 1 . 2]" 2
142 2 8 LEU HG 2 14 ILE HA 3.000 . 3.500 2.427 2.375 2.467 . 0 0 "[ . 1 . 2]" 2
143 2 36 LEU HB3 2 39 VAL HA 3.000 . 3.500 2.475 2.439 2.536 . 0 0 "[ . 1 . 2]" 2
144 2 8 LEU H 2 8 LEU QD 4.000 . 5.000 1.801 1.565 2.436 0.235 17 0 "[ . 1 . 2]" 2
145 2 40 VAL QG 2 44 ARG HB2 3.500 . 4.000 1.980 1.689 3.041 0.111 16 0 "[ . 1 . 2]" 2
146 2 14 ILE HB 2 16 THR HA 4.000 . 5.000 3.078 2.890 3.215 . 0 0 "[ . 1 . 2]" 2
147 2 19 ALA HA 2 22 ARG QB 3.000 . 3.500 2.213 2.040 3.395 . 0 0 "[ . 1 . 2]" 2
148 2 59 ARG QB 2 61 LEU QB 4.000 . 5.000 4.321 3.409 5.113 0.113 13 0 "[ . 1 . 2]" 2
149 1 12 ASN HB3 1 12 ASN HD22 4.000 . 5.000 3.748 3.436 3.977 . 0 0 "[ . 1 . 2]" 2
150 1 12 ASN HB2 1 12 ASN HD22 4.000 . 5.000 3.743 3.434 3.960 . 0 0 "[ . 1 . 2]" 2
151 1 20 GLN HE22 1 20 GLN HG3 4.000 . 5.000 3.806 3.441 3.997 . 0 0 "[ . 1 . 2]" 2
152 1 20 GLN HE22 1 20 GLN HG2 4.000 . 5.000 3.581 3.434 4.011 . 0 0 "[ . 1 . 2]" 2
153 1 41 ASN HB2 1 41 ASN HD22 4.000 . 5.000 3.795 3.419 3.930 . 0 0 "[ . 1 . 2]" 2
154 1 41 ASN HB3 1 41 ASN HD22 4.000 . 5.000 3.546 3.422 3.925 . 0 0 "[ . 1 . 2]" 2
155 1 7 ALA MB 2 10 ILE MD 5.000 . 6.000 5.349 4.937 5.730 . 0 0 "[ . 1 . 2]" 2
156 1 14 ILE HA 2 10 ILE MD 5.000 . 6.000 6.247 5.923 6.477 0.477 9 0 "[ . 1 . 2]" 2
157 1 7 ALA MB 2 14 ILE MD 4.000 . 5.000 4.480 4.249 4.697 . 0 0 "[ . 1 . 2]" 2
158 1 8 LEU HG 2 14 ILE MD 4.000 . 5.000 5.063 4.909 5.129 0.129 16 0 "[ . 1 . 2]" 2
159 1 14 ILE HB 2 14 ILE MD 3.000 . 3.500 3.590 3.322 3.921 0.421 6 0 "[ . 1 . 2]" 2
160 1 20 GLN HG3 2 14 ILE MD 4.000 . 5.000 3.819 3.414 4.695 . 0 0 "[ . 1 . 2]" 2
161 1 7 ALA MB 2 10 ILE MG 4.000 . 5.000 5.013 4.747 5.207 0.207 6 0 "[ . 1 . 2]" 2
162 1 43 ARG HE 2 50 ALA MB 3.500 . 4.000 4.832 4.438 5.051 1.051 13 18 "[****** *****+-* ****]" 2
163 1 43 ARG HE 2 49 ALA MB 4.000 . 5.000 5.742 4.919 5.977 0.977 4 18 "[***+** * ******-****]" 2
164 1 10 ILE MG 2 7 ALA MB 4.000 . 5.000 1.826 1.705 2.205 0.095 13 0 "[ . 1 . 2]" 2
165 1 17 LEU MD2 2 7 ALA MB 3.500 . 4.000 1.824 1.704 2.199 0.096 13 0 "[ . 1 . 2]" 2
166 1 14 ILE HB 2 16 THR MG 4.000 . 5.000 5.041 4.807 5.402 0.402 1 0 "[ . 1 . 2]" 2
167 1 15 ARG HE 2 16 THR MG 3.500 . 4.000 3.510 2.854 4.082 0.082 5 0 "[ . 1 . 2]" 2
168 1 7 ALA MB 2 11 LEU QD 4.000 . 5.000 1.753 1.654 1.995 0.146 13 0 "[ . 1 . 2]" 2
169 1 9 LYS QB 2 11 LEU QD 3.500 . 4.000 3.062 2.839 3.369 . 0 0 "[ . 1 . 2]" 2
170 1 14 ILE HB 2 11 LEU QD 4.000 . 5.000 1.705 1.521 2.028 0.279 9 0 "[ . 1 . 2]" 2
171 1 8 LEU HA 2 11 LEU QD 4.000 . 4.000 3.979 3.842 4.048 0.048 7 0 "[ . 1 . 2]" 2
172 1 8 LEU HG 2 29 LEU MD1 4.000 . 5.000 2.855 2.200 3.241 . 0 0 "[ . 1 . 2]" 2
173 1 9 LYS QE 2 29 LEU MD1 4.000 . 5.000 2.989 2.568 3.302 . 0 0 "[ . 1 . 2]" 2
174 1 14 ILE HB 2 29 LEU MD1 4.000 . 5.000 2.894 2.674 3.158 . 0 0 "[ . 1 . 2]" 2
175 1 14 ILE HA 2 14 ILE MG 3.000 . 3.500 3.560 3.361 3.703 0.203 17 0 "[ . 1 . 2]" 2
176 1 9 LYS QB 2 17 LEU QD 4.000 . 5.000 3.714 3.508 3.947 . 0 0 "[ . 1 . 2]" 2
177 1 14 ILE HB 2 17 LEU QD 3.500 . 4.000 3.717 3.509 3.951 . 0 0 "[ . 1 . 2]" 2
178 1 21 ALA MB 2 17 LEU QD 3.500 . 4.000 3.751 3.506 4.037 0.037 6 0 "[ . 1 . 2]" 2
179 1 8 LEU HG 2 17 LEU QD 3.500 . 4.000 3.765 3.513 4.060 0.060 6 0 "[ . 1 . 2]" 2
180 1 14 ILE HB 2 17 LEU QD 4.000 . 5.000 3.681 3.489 3.890 . 0 0 "[ . 1 . 2]" 2
181 1 14 ILE HB 2 17 LEU QD 4.500 2.300 5.500 5.441 5.230 5.770 0.270 15 0 "[ . 1 . 2]" 2
182 1 27 GLU HA 2 17 LEU QD 4.500 . 5.500 5.580 5.368 5.666 0.166 16 0 "[ . 1 . 2]" 2
183 1 8 LEU HG 2 33 LEU QD 3.500 . 4.000 3.462 3.297 3.591 . 0 0 "[ . 1 . 2]" 2
184 1 6 GLU QB 2 33 LEU MD1 3.500 . 4.000 2.114 1.912 2.409 . 0 0 "[ . 1 . 2]" 2
185 1 14 ILE HB 2 33 LEU MD1 4.000 . 5.000 4.674 4.443 4.952 . 0 0 "[ . 1 . 2]" 2
186 1 31 GLU QG 2 33 LEU MD1 5.000 . 6.000 5.392 5.167 5.969 . 0 0 "[ . 1 . 2]" 2
187 1 8 LEU HG 2 33 LEU MD2 4.000 . 5.000 3.962 3.645 4.115 . 0 0 "[ . 1 . 2]" 2
188 1 10 ILE HB 2 33 LEU MD2 4.000 . 5.000 2.132 1.945 2.498 . 0 0 "[ . 1 . 2]" 2
189 1 14 ILE HB 2 33 LEU MD2 3.000 . 3.500 2.342 2.074 2.676 . 0 0 "[ . 1 . 2]" 2
190 1 14 ILE MG 2 18 ARG QG 3.500 . 4.000 2.562 2.318 2.847 . 0 0 "[ . 1 . 2]" 2
191 1 18 ARG QD 2 18 ARG QG 3.000 . 3.500 3.685 3.059 3.840 0.340 20 0 "[ . 1 . 2]" 2
192 1 14 ILE HA 2 18 ARG QG 5.000 . 6.000 5.628 4.419 6.229 0.229 17 0 "[ . 1 . 2]" 2
193 1 14 ILE MG 2 15 ARG QB 3.000 . 3.500 2.764 2.362 3.100 . 0 0 "[ . 1 . 2]" 2
194 1 14 ILE MG 2 37 GLU QB 4.000 . 5.000 4.309 4.039 4.514 . 0 0 "[ . 1 . 2]" 2
195 1 14 ILE MG 2 37 GLU QB 4.000 . 5.000 2.739 2.341 3.047 . 0 0 "[ . 1 . 2]" 2
196 1 14 ILE MG 2 30 GLU QB 4.000 . 5.000 3.051 2.830 3.246 . 0 0 "[ . 1 . 2]" 2
197 1 27 GLU HA 2 30 GLU QB 4.000 . 5.000 5.269 5.144 5.357 0.357 2 0 "[ . 1 . 2]" 2
198 1 14 ILE MG 2 37 GLU QB 4.000 . 5.000 4.085 3.860 4.248 . 0 0 "[ . 1 . 2]" 2
199 1 14 ILE HA 2 30 GLU QB 3.500 . 4.000 4.225 4.074 4.291 0.291 9 0 "[ . 1 . 2]" 2
200 1 14 ILE HB 2 6 GLU QB 3.000 . 3.500 2.904 2.432 3.411 . 0 0 "[ . 1 . 2]" 2
201 1 43 ARG HA 2 6 GLU QB 4.000 . 5.000 3.985 3.656 4.851 . 0 0 "[ . 1 . 2]" 2
202 1 14 ILE MG 2 37 GLU QG 4.000 . 5.000 3.622 3.317 3.965 . 0 0 "[ . 1 . 2]" 2
203 1 14 ILE MG 2 23 GLU HG3 3.500 . 4.000 3.659 3.343 4.002 0.002 3 0 "[ . 1 . 2]" 2
204 1 14 ILE MG 2 38 VAL HB 4.000 . 5.000 4.877 4.613 5.241 0.241 9 0 "[ . 1 . 2]" 2
205 1 14 ILE MG 2 18 ARG QD 4.000 . 5.000 2.701 2.293 3.150 . 0 0 "[ . 1 . 2]" 2
206 1 8 LEU HG 2 43 ARG QD 4.000 . 5.000 3.709 3.583 3.871 . 0 0 "[ . 1 . 2]" 2
207 1 9 LYS HG2 2 8 LEU QD 4.000 . 5.000 3.750 3.626 3.849 . 0 0 "[ . 1 . 2]" 2
208 1 9 LYS QB 2 8 LEU QD 4.000 . 4.000 3.325 2.361 3.598 . 0 0 "[ . 1 . 2]" 2
209 1 14 ILE HB 2 8 LEU QD 4.000 . 5.000 2.882 2.360 3.285 . 0 0 "[ . 1 . 2]" 2
210 1 21 ALA MB 2 8 LEU QD 3.500 . 4.000 4.100 3.916 4.202 0.202 2 0 "[ . 1 . 2]" 2
211 1 14 ILE HB 2 8 LEU QD 3.500 . 4.000 2.839 2.352 3.204 . 0 0 "[ . 1 . 2]" 2
212 1 11 LEU QD 2 10 ILE HB 4.000 . 5.000 4.775 4.539 5.021 0.021 9 0 "[ . 1 . 2]" 2
213 1 7 ALA MB 2 10 ILE HB 4.000 . 5.000 5.298 5.029 5.412 0.412 8 0 "[ . 1 . 2]" 2
214 1 11 LEU QD 2 10 ILE HG12 5.000 . 6.000 5.702 5.339 5.889 . 0 0 "[ . 1 . 2]" 2
215 1 14 ILE MG 2 11 LEU QD 5.000 . 6.000 4.758 4.634 5.132 . 0 0 "[ . 1 . 2]" 2
216 1 8 LEU HG 2 11 LEU QD 4.000 . 5.000 1.753 1.654 1.995 0.146 13 0 "[ . 1 . 2]" 2
217 1 9 LYS QB 2 11 LEU QD 4.000 . 5.000 3.059 2.837 3.364 . 0 0 "[ . 1 . 2]" 2
218 1 14 ILE HB 2 11 LEU QD 3.500 . 4.000 1.704 1.521 2.026 0.279 9 0 "[ . 1 . 2]" 2
219 1 9 LYS QB 2 26 LEU MD1 4.000 . 5.000 4.873 4.557 5.022 0.022 7 0 "[ . 1 . 2]" 2
220 1 14 ILE HA 2 26 LEU MD1 4.500 . 5.500 5.019 4.663 5.238 . 0 0 "[ . 1 . 2]" 2
221 1 14 ILE MD 2 26 LEU MD2 4.000 . 5.000 5.345 5.195 5.434 0.434 9 0 "[ . 1 . 2]" 2
222 1 14 ILE MD 2 29 LEU QB 4.000 . 5.000 3.294 2.949 3.533 . 0 0 "[ . 1 . 2]" 2
223 1 17 LEU MD1 2 39 VAL QG 4.000 . 5.000 1.606 1.461 1.845 0.339 8 0 "[ . 1 . 2]" 2
224 1 21 ALA MB 2 39 VAL QG 4.000 . 5.000 3.056 2.414 3.602 . 0 0 "[ . 1 . 2]" 2
225 1 8 LEU HG 2 39 VAL QG 3.500 . 4.000 3.015 2.404 3.516 . 0 0 "[ . 1 . 2]" 2
226 1 14 ILE HB 2 39 VAL QG 4.000 . 5.000 2.975 2.398 3.446 . 0 0 "[ . 1 . 2]" 2
227 1 9 LYS QE 2 39 VAL QG 4.000 . 5.000 3.890 3.426 4.160 . 0 0 "[ . 1 . 2]" 2
228 1 21 ALA MB 2 39 VAL QG 3.500 . 4.000 3.084 2.447 3.641 . 0 0 "[ . 1 . 2]" 2
229 1 14 ILE HB 2 39 VAL QG 3.500 . 4.000 2.974 2.398 3.446 . 0 0 "[ . 1 . 2]" 2
230 1 14 ILE MG 2 40 VAL QG 4.000 . 5.000 2.091 1.589 2.833 0.211 17 0 "[ . 1 . 2]" 2
231 1 8 LEU HG 2 40 VAL QG 4.000 . 5.000 2.516 2.307 2.864 . 0 0 "[ . 1 . 2]" 2
232 1 14 ILE HB 2 40 VAL QG 3.500 . 4.000 2.312 1.800 2.903 . 0 0 "[ . 1 . 2]" 2
233 1 9 LYS HG2 2 40 VAL QG 4.000 . 5.000 4.310 3.920 4.742 . 0 0 "[ . 1 . 2]" 2
234 1 8 LEU HG 2 40 VAL QG 4.000 . 5.000 2.419 2.263 2.693 . 0 0 "[ . 1 . 2]" 2
235 1 14 ILE HB 2 40 VAL QG 3.500 . 4.000 2.312 1.800 2.903 . 0 0 "[ . 1 . 2]" 2
236 1 8 LEU HG 2 44 ARG QD 4.000 . 5.000 3.741 2.653 4.767 . 0 0 "[ . 1 . 2]" 2
237 1 8 LEU HG 2 60 LYS QE 4.000 . 5.000 4.250 2.098 5.229 0.229 6 0 "[ . 1 . 2]" 2
238 1 10 ILE MD 2 7 ALA MB 5.000 . 6.000 5.350 4.945 5.762 . 0 0 "[ . 1 . 2]" 2
239 1 10 ILE MD 2 14 ILE HA 5.000 . 6.000 6.236 6.000 6.439 0.439 13 0 "[ . 1 . 2]" 2
240 1 14 ILE MD 2 7 ALA MB 4.000 . 5.000 4.493 4.253 4.675 . 0 0 "[ . 1 . 2]" 2
241 1 14 ILE MD 2 8 LEU HG 4.000 . 5.000 5.084 4.934 5.265 0.265 15 0 "[ . 1 . 2]" 2
242 1 14 ILE MD 2 14 ILE HB 3.000 . 3.500 3.566 3.372 3.898 0.398 6 0 "[ . 1 . 2]" 2
243 1 14 ILE MD 2 20 GLN HG3 4.000 . 5.000 3.720 3.449 4.744 . 0 0 "[ . 1 . 2]" 2
244 1 10 ILE MG 2 7 ALA MB 4.000 . 5.000 5.032 4.765 5.250 0.250 3 0 "[ . 1 . 2]" 2
245 1 50 ALA MB 2 43 ARG HE 3.500 . 4.000 4.848 4.438 5.013 1.013 2 19 "[*+***********-* ****]" 2
246 1 49 ALA MB 2 43 ARG HE 4.000 . 5.000 5.794 5.563 5.988 0.988 9 20 [**-*****+***********] 2
247 1 7 ALA MB 2 10 ILE MG 4.000 . 5.000 1.841 1.710 2.119 0.090 20 0 "[ . 1 . 2]" 2
248 1 7 ALA MB 2 17 LEU MD2 3.500 . 4.000 1.839 1.709 2.113 0.091 20 0 "[ . 1 . 2]" 2
249 1 16 THR MG 2 14 ILE HB 4.000 . 5.000 5.008 4.823 5.403 0.403 1 0 "[ . 1 . 2]" 2
250 1 16 THR MG 2 15 ARG HE 3.500 . 4.000 3.712 2.841 4.166 0.166 8 0 "[ . 1 . 2]" 2
251 1 11 LEU QD 2 7 ALA MB 4.000 . 5.000 1.783 1.658 2.006 0.142 9 0 "[ . 1 . 2]" 2
252 1 11 LEU QD 2 9 LYS QB 3.500 . 4.000 3.140 2.862 3.368 . 0 0 "[ . 1 . 2]" 2
253 1 11 LEU QD 2 14 ILE HB 4.000 . 5.000 1.714 1.620 1.769 0.180 16 0 "[ . 1 . 2]" 2
254 1 11 LEU QD 2 8 LEU HA 4.000 . 4.000 3.998 3.888 4.094 0.094 17 0 "[ . 1 . 2]" 2
255 1 29 LEU MD1 2 8 LEU HG 4.000 . 5.000 2.885 2.226 3.263 . 0 0 "[ . 1 . 2]" 2
256 1 29 LEU MD1 2 9 LYS QE 4.000 . 5.000 3.011 2.629 3.325 . 0 0 "[ . 1 . 2]" 2
257 1 29 LEU MD1 2 14 ILE HB 4.000 . 5.000 2.910 2.767 3.188 . 0 0 "[ . 1 . 2]" 2
258 1 14 ILE MG 2 14 ILE HA 3.000 . 3.500 3.561 3.492 3.666 0.166 6 0 "[ . 1 . 2]" 2
259 1 17 LEU QD 2 9 LYS QB 4.000 . 5.000 3.727 3.498 3.886 . 0 0 "[ . 1 . 2]" 2
260 1 17 LEU QD 2 14 ILE HB 3.500 . 4.000 3.730 3.500 3.889 . 0 0 "[ . 1 . 2]" 2
261 1 17 LEU QD 2 21 ALA MB 3.500 . 4.000 3.775 3.549 4.053 0.053 6 0 "[ . 1 . 2]" 2
262 1 17 LEU QD 2 8 LEU HG 3.500 . 4.000 3.790 3.559 4.075 0.075 6 0 "[ . 1 . 2]" 2
263 1 17 LEU QD 2 14 ILE HB 4.000 . 5.000 3.694 3.482 3.841 . 0 0 "[ . 1 . 2]" 2
264 1 17 LEU QD 2 14 ILE HB 4.500 2.300 5.500 5.456 5.238 5.703 0.203 9 0 "[ . 1 . 2]" 2
265 1 17 LEU QD 2 27 GLU HA 4.500 . 5.500 5.581 5.381 5.713 0.213 8 0 "[ . 1 . 2]" 2
266 1 33 LEU QD 2 8 LEU HG 3.500 . 4.000 3.450 3.296 3.597 . 0 0 "[ . 1 . 2]" 2
267 1 33 LEU MD1 2 6 GLU QB 3.500 . 4.000 1.998 1.788 2.279 0.012 17 0 "[ . 1 . 2]" 2
268 1 33 LEU MD1 2 14 ILE HB 4.000 . 5.000 4.686 4.374 4.900 . 0 0 "[ . 1 . 2]" 2
269 1 33 LEU MD1 2 31 GLU QG 5.000 . 6.000 5.365 5.093 5.575 . 0 0 "[ . 1 . 2]" 2
270 1 33 LEU MD2 2 8 LEU HG 4.000 . 5.000 3.998 3.741 4.214 . 0 0 "[ . 1 . 2]" 2
271 1 33 LEU MD2 2 10 ILE HB 4.000 . 5.000 2.194 1.861 2.919 . 0 0 "[ . 1 . 2]" 2
272 1 33 LEU MD2 2 14 ILE HB 3.000 . 3.500 2.338 2.094 2.685 . 0 0 "[ . 1 . 2]" 2
273 1 18 ARG QG 2 14 ILE MG 3.500 . 4.000 2.512 2.306 2.831 . 0 0 "[ . 1 . 2]" 2
274 1 18 ARG QG 2 18 ARG QD 3.000 . 3.500 3.710 3.584 3.872 0.372 10 0 "[ . 1 . 2]" 2
275 1 18 ARG QG 2 14 ILE HA 5.000 . 6.000 5.616 4.431 6.319 0.319 10 0 "[ . 1 . 2]" 2
276 1 15 ARG QB 2 14 ILE MG 3.000 . 3.500 2.753 2.545 3.071 . 0 0 "[ . 1 . 2]" 2
277 1 37 GLU QB 2 14 ILE MG 4.000 . 5.000 4.299 3.891 4.486 . 0 0 "[ . 1 . 2]" 2
278 1 37 GLU QB 2 14 ILE MG 4.000 . 5.000 2.728 2.526 3.034 . 0 0 "[ . 1 . 2]" 2
279 1 30 GLU QB 2 14 ILE MG 4.000 . 5.000 3.071 2.912 3.240 . 0 0 "[ . 1 . 2]" 2
280 1 30 GLU QB 2 27 GLU HA 4.000 . 5.000 5.278 5.143 5.370 0.370 4 0 "[ . 1 . 2]" 2
281 1 37 GLU QB 2 14 ILE MG 4.000 . 5.000 4.100 3.818 4.264 . 0 0 "[ . 1 . 2]" 2
282 1 30 GLU QB 2 14 ILE HA 3.500 . 4.000 4.232 4.075 4.300 0.300 10 0 "[ . 1 . 2]" 2
283 1 6 GLU QB 2 14 ILE HB 3.000 . 3.500 2.768 2.487 3.401 . 0 0 "[ . 1 . 2]" 2
284 1 6 GLU QB 2 43 ARG HA 4.000 . 5.000 4.030 3.620 4.735 . 0 0 "[ . 1 . 2]" 2
285 1 37 GLU QG 2 14 ILE MG 4.000 . 5.000 3.639 3.210 4.169 . 0 0 "[ . 1 . 2]" 2
286 1 23 GLU HG3 2 14 ILE MG 3.500 . 4.000 3.679 3.217 4.194 0.194 4 0 "[ . 1 . 2]" 2
287 1 38 VAL HB 2 14 ILE MG 4.000 . 5.000 4.958 4.690 5.180 0.180 15 0 "[ . 1 . 2]" 2
288 1 18 ARG QD 2 14 ILE MG 4.000 . 5.000 2.803 2.292 4.370 . 0 0 "[ . 1 . 2]" 2
289 1 43 ARG QD 2 8 LEU HG 4.000 . 5.000 3.684 3.059 3.839 . 0 0 "[ . 1 . 2]" 2
290 1 8 LEU QD 2 9 LYS HG2 4.000 . 5.000 3.762 3.637 3.918 . 0 0 "[ . 1 . 2]" 2
291 1 8 LEU QD 2 9 LYS QB 4.000 . 4.000 3.339 2.837 3.559 . 0 0 "[ . 1 . 2]" 2
292 1 8 LEU QD 2 14 ILE HB 4.000 . 5.000 2.883 2.390 3.284 . 0 0 "[ . 1 . 2]" 2
293 1 8 LEU QD 2 21 ALA MB 3.500 . 4.000 4.095 3.945 4.169 0.169 20 0 "[ . 1 . 2]" 2
294 1 8 LEU QD 2 14 ILE HB 3.500 . 4.000 2.840 2.379 3.203 . 0 0 "[ . 1 . 2]" 2
295 1 10 ILE HB 2 11 LEU QD 4.000 . 5.000 4.793 4.537 4.944 . 0 0 "[ . 1 . 2]" 2
296 1 10 ILE HB 2 7 ALA MB 4.000 . 5.000 5.287 5.201 5.387 0.387 10 0 "[ . 1 . 2]" 2
297 1 10 ILE HG12 2 11 LEU QD 5.000 . 6.000 5.712 5.340 5.882 . 0 0 "[ . 1 . 2]" 2
298 1 11 LEU QD 2 14 ILE MG 5.000 . 6.000 4.714 4.616 4.857 . 0 0 "[ . 1 . 2]" 2
299 1 11 LEU QD 2 8 LEU HG 4.000 . 5.000 1.783 1.658 2.006 0.142 9 0 "[ . 1 . 2]" 2
300 1 11 LEU QD 2 9 LYS QB 4.000 . 5.000 3.136 2.860 3.363 . 0 0 "[ . 1 . 2]" 2
301 1 11 LEU QD 2 14 ILE HB 3.500 . 4.000 1.713 1.620 1.768 0.180 16 0 "[ . 1 . 2]" 2
302 1 26 LEU MD1 2 9 LYS QB 4.000 . 5.000 4.875 4.607 5.020 0.020 20 0 "[ . 1 . 2]" 2
303 1 26 LEU MD1 2 14 ILE HA 4.500 . 5.500 5.005 4.705 5.219 . 0 0 "[ . 1 . 2]" 2
304 1 26 LEU MD2 2 14 ILE MD 4.000 . 5.000 5.316 5.223 5.417 0.417 14 0 "[ . 1 . 2]" 2
305 1 29 LEU QB 2 14 ILE MD 4.000 . 5.000 3.335 3.142 3.612 . 0 0 "[ . 1 . 2]" 2
306 1 39 VAL QG 2 17 LEU MD1 4.000 . 5.000 1.594 1.478 1.845 0.322 9 0 "[ . 1 . 2]" 2
307 1 39 VAL QG 2 21 ALA MB 4.000 . 5.000 3.161 2.435 3.585 . 0 0 "[ . 1 . 2]" 2
308 1 39 VAL QG 2 8 LEU HG 3.500 . 4.000 3.113 2.425 3.457 . 0 0 "[ . 1 . 2]" 2
309 1 39 VAL QG 2 14 ILE HB 4.000 . 5.000 3.066 2.415 3.322 . 0 0 "[ . 1 . 2]" 2
310 1 39 VAL QG 2 9 LYS QE 4.000 . 5.000 3.914 3.445 4.160 . 0 0 "[ . 1 . 2]" 2
311 1 39 VAL QG 2 21 ALA MB 3.500 . 4.000 3.231 2.447 3.807 . 0 0 "[ . 1 . 2]" 2
312 1 39 VAL QG 2 14 ILE HB 3.500 . 4.000 3.066 2.415 3.322 . 0 0 "[ . 1 . 2]" 2
313 1 40 VAL QG 2 14 ILE MG 4.000 . 5.000 2.091 1.589 2.833 0.211 17 0 "[ . 1 . 2]" 2
314 1 40 VAL QG 2 8 LEU HG 4.000 . 5.000 2.567 2.320 2.866 . 0 0 "[ . 1 . 2]" 2
315 1 40 VAL QG 2 14 ILE HB 3.500 . 4.000 2.363 1.751 2.851 0.049 7 0 "[ . 1 . 2]" 2
316 1 40 VAL QG 2 9 LYS HG2 4.000 . 5.000 4.383 3.936 4.742 . 0 0 "[ . 1 . 2]" 2
317 1 40 VAL QG 2 8 LEU HG 4.000 . 5.000 2.461 2.271 2.703 . 0 0 "[ . 1 . 2]" 2
318 1 40 VAL QG 2 14 ILE HB 3.500 . 4.000 2.363 1.751 2.851 0.049 7 0 "[ . 1 . 2]" 2
319 1 44 ARG QD 2 8 LEU HG 4.000 . 5.000 3.877 2.766 5.033 0.033 14 0 "[ . 1 . 2]" 2
320 1 60 LYS QE 2 8 LEU HG 4.000 . 5.000 3.993 2.735 5.249 0.249 6 0 "[ . 1 . 2]" 2
321 2 12 ASN HB3 2 12 ASN HD22 4.000 . 5.000 3.750 3.434 3.977 . 0 0 "[ . 1 . 2]" 2
322 2 12 ASN HB2 2 12 ASN HD22 4.000 . 5.000 3.741 3.437 3.959 . 0 0 "[ . 1 . 2]" 2
323 2 20 GLN HE22 2 20 GLN HG3 4.000 . 5.000 3.826 3.442 3.945 . 0 0 "[ . 1 . 2]" 2
324 2 20 GLN HE22 2 20 GLN HG2 4.000 . 5.000 3.527 3.437 3.873 . 0 0 "[ . 1 . 2]" 2
325 2 41 ASN HB2 2 41 ASN HD22 4.000 . 5.000 3.749 3.411 3.931 . 0 0 "[ . 1 . 2]" 2
326 2 41 ASN HB3 2 41 ASN HD22 4.000 . 5.000 3.593 3.422 3.919 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 2086
_Distance_constraint_stats_list.Viol_total 79006.266
_Distance_constraint_stats_list.Viol_max 3.107
_Distance_constraint_stats_list.Viol_rms 0.6618
_Distance_constraint_stats_list.Viol_average_all_restraints 1.8288
_Distance_constraint_stats_list.Viol_average_violations_only 1.8937
_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 15 ARG 108.996 3.055 3 20 [**+**************-**]
1 16 THR 69.413 2.043 11 20 [*****-****+*********]
1 17 LEU 38.682 1.516 9 20 [****-***+***********]
1 20 GLN 108.996 3.055 3 20 [**+**************-**]
1 21 ALA 69.413 2.043 11 20 [*****-****+*********]
1 22 ARG 38.682 1.516 9 20 [****-***+***********]
1 26 LEU 92.238 2.451 5 20 [****+-**************]
1 27 GLU 79.702 2.258 9 20 [********+**********-]
1 28 THR 44.541 1.330 2 20 [*+*****************-]
1 29 LEU 1.157 0.152 4 0 "[ . 1 . 2]"
1 30 GLU 86.050 2.572 10 20 [-********+**********]
1 31 GLU 198.029 2.986 6 20 [*****+**************]
1 32 MET 148.615 2.258 9 20 [***-****+***********]
1 33 LEU 124.592 2.443 19 20 [******************+-]
1 34 GLU 92.776 2.863 5 20 [****+-**************]
1 35 LYS 161.727 2.572 10 20 [-********+**********]
1 36 LEU 196.560 2.986 6 20 [*****+******-*******]
1 37 GLU 148.196 2.267 10 20 [***-*****+**********]
1 38 VAL 157.210 2.443 19 20 [****-*************+*]
1 39 VAL 179.489 2.863 5 20 [****+***-***********]
1 40 VAL 120.116 2.187 17 20 [****-***********+***]
1 41 ASN 169.537 2.659 10 20 [*********+-*********]
1 42 GLU 125.154 2.267 10 20 [*-*******+**********]
1 43 ARG 102.045 2.234 11 20 [**********+***-*****]
1 44 ARG 177.919 2.744 11 20 [********-*+*********]
1 45 GLU 152.656 3.107 2 20 [*+**-***************]
1 46 GLU 160.805 2.623 2 20 [*+********-*********]
1 47 GLU 120.879 2.167 14 20 [*-***********+******]
1 48 SER 102.466 2.352 14 20 [*************+-*****]
1 49 ALA 163.318 2.722 13 20 [*******-****+*******]
1 50 ALA 108.216 3.107 2 20 [*+**************-***]
1 51 ALA 82.037 2.623 2 20 [*+****-*************]
1 52 ALA 75.008 2.167 14 20 [*******-*****+******]
1 53 GLU 77.580 2.352 14 20 [*************+***-**]
1 54 VAL 73.269 2.282 2 20 [*+*****-************]
2 15 ARG 108.664 2.936 12 20 [******-****+********]
2 16 THR 68.435 2.016 2 20 [*+***-**************]
2 17 LEU 39.305 1.497 13 20 [************+*****-*]
2 20 GLN 108.664 2.936 12 20 [******-****+********]
2 21 ALA 68.435 2.016 2 20 [*+***-**************]
2 22 ARG 39.305 1.497 13 20 [************+*****-*]
2 26 LEU 91.874 2.446 3 20 [**+****-************]
2 27 GLU 79.265 2.277 6 20 [****-+**************]
2 28 THR 42.453 1.333 8 20 [******-+************]
2 29 LEU 0.704 0.199 6 0 "[ . 1 . 2]"
2 30 GLU 84.907 2.575 6 20 [**-**+**************]
2 31 GLU 197.643 2.950 16 20 [*******-*******+****]
2 32 MET 149.850 2.277 6 20 [*****+**************]
2 33 LEU 123.808 2.439 13 20 [******-*****+*******]
2 34 GLU 91.984 2.592 11 20 [**********+***-*****]
2 35 LYS 160.032 2.575 6 20 [*****+**-***********]
2 36 LEU 196.994 2.950 16 20 [**-************+****]
2 37 GLU 150.165 2.297 9 20 [*****-**+***********]
2 38 VAL 159.315 2.439 13 20 [************+*-*****]
2 39 VAL 177.163 2.731 18 20 [************-****+**]
2 40 VAL 117.148 2.222 6 20 [*****+************-*]
2 41 ASN 170.003 2.669 6 20 [**-**+**************]
2 42 GLU 125.240 2.297 9 20 [*-******+***********]
2 43 ARG 102.855 2.283 3 20 [**+****-************]
2 44 ARG 174.787 2.744 7 20 [******+*****-*******]
2 45 GLU 149.208 3.039 2 20 [*+****************-*]
2 46 GLU 159.870 2.565 2 20 [*+******-***********]
2 47 GLU 121.019 2.148 8 20 [*-*****+************]
2 48 SER 103.623 2.344 10 20 [*******-*+**********]
2 49 ALA 164.190 2.744 7 20 [******+-************]
2 50 ALA 107.184 3.039 2 20 [*+******-***********]
2 51 ALA 81.092 2.565 2 20 [*+******-***********]
2 52 ALA 75.358 2.148 8 20 [*******+*-**********]
2 53 GLU 78.729 2.344 10 20 [****-****+**********]
2 54 VAL 75.287 2.206 7 20 [******+-************]
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 15 ARG O 1 20 GLN N 3.200 2.200 3.200 5.819 5.689 6.036 2.836 3 20 [**+**************-**] 3
2 1 15 ARG O 1 20 GLN H 2.200 . 2.200 5.031 4.917 5.255 3.055 3 20 [**+*-***************] 3
3 1 16 THR O 1 21 ALA N 3.200 2.200 3.200 4.830 4.577 5.039 1.839 11 20 [*****-****+*********] 3
4 1 16 THR O 1 21 ALA H 2.200 . 2.200 4.041 3.796 4.243 2.043 11 20 [*****-****+*********] 3
5 1 17 LEU O 1 22 ARG N 3.200 2.200 3.200 4.033 3.915 4.414 1.214 9 20 [****-***+***********] 3
6 1 17 LEU O 1 22 ARG H 2.200 . 2.200 3.301 3.186 3.716 1.516 9 20 [****-***+***********] 3
7 1 26 LEU O 1 31 GLU N 3.200 2.200 3.200 5.459 5.356 5.564 2.364 5 20 [****+-**************] 3
8 1 26 LEU O 1 31 GLU H 2.200 . 2.200 4.553 4.454 4.651 2.451 5 20 [****+-**************] 3
9 1 27 GLU O 1 32 MET N 3.200 2.200 3.200 5.055 4.912 5.172 1.972 6 20 [*****+*************-] 3
10 1 27 GLU O 1 32 MET H 2.200 . 2.200 4.330 4.173 4.458 2.258 9 20 [********+**********-] 3
11 1 28 THR O 1 33 LEU N 3.200 2.200 3.200 4.253 4.126 4.393 1.193 2 20 [*+*****************-] 3
12 1 28 THR O 1 33 LEU H 2.200 . 2.200 3.374 3.256 3.530 1.330 2 20 [*+****************-*] 3
13 1 29 LEU O 1 34 GLU N 3.200 2.200 3.200 3.040 2.834 3.185 . 0 0 "[ . 1 . 2]" 3
14 1 29 LEU O 1 34 GLU H 2.200 . 2.200 2.240 1.981 2.352 0.152 4 0 "[ . 1 . 2]" 3
15 1 30 GLU O 1 35 LYS N 3.200 2.200 3.200 5.113 4.825 5.283 2.083 10 20 [-********+**********] 3
16 1 30 GLU O 1 35 LYS H 2.200 . 2.200 4.590 4.282 4.772 2.572 10 20 [-********+**********] 3
17 1 31 GLU O 1 36 LEU N 3.200 2.200 3.200 5.711 5.545 5.905 2.705 6 20 [-****+**************] 3
18 1 31 GLU O 1 36 LEU H 2.200 . 2.200 4.978 4.818 5.186 2.986 6 20 [*-***+**************] 3
19 1 32 MET O 1 37 GLU N 3.200 2.200 3.200 4.764 4.602 5.022 1.822 6 20 [***-*+**************] 3
20 1 32 MET O 1 37 GLU H 2.200 . 2.200 4.081 3.851 4.318 2.118 6 20 [***-*+**************] 3
21 1 33 LEU O 1 38 VAL N 3.200 2.200 3.200 5.060 4.874 5.331 2.131 19 20 [******************+-] 3
22 1 33 LEU O 1 38 VAL H 2.200 . 2.200 4.343 4.152 4.643 2.443 19 20 [******************+-] 3
23 1 34 GLU O 1 39 VAL N 3.200 2.200 3.200 5.345 5.026 5.725 2.525 5 20 [****+-**************] 3
24 1 34 GLU O 1 39 VAL H 2.200 . 2.200 4.636 4.295 5.063 2.863 5 20 [****+-**************] 3
25 1 35 LYS O 1 40 VAL N 3.200 2.200 3.200 4.934 4.817 5.075 1.875 17 20 [-***************+***] 3
26 1 35 LYS O 1 40 VAL H 2.200 . 2.200 4.250 4.128 4.387 2.187 17 20 [-***************+***] 3
27 1 36 LEU O 1 41 ASN N 3.200 2.200 3.200 5.337 5.109 5.642 2.442 3 20 [**+*********-*******] 3
28 1 36 LEU O 1 41 ASN H 2.200 . 2.200 4.602 4.416 4.859 2.659 10 20 [-********+**********] 3
29 1 37 GLU O 1 42 GLU N 3.200 2.200 3.200 4.960 4.818 5.108 1.908 10 20 [****-****+**********] 3
30 1 37 GLU O 1 42 GLU H 2.200 . 2.200 4.404 4.266 4.467 2.267 10 20 [****-****+**********] 3
31 1 38 VAL O 1 43 ARG N 3.200 2.200 3.200 5.038 4.567 5.232 2.032 11 20 [****-*****+*********] 3
32 1 38 VAL O 1 43 ARG H 2.200 . 2.200 4.220 3.719 4.434 2.234 11 20 [****-*****+*********] 3
33 1 39 VAL O 1 44 ARG N 3.200 2.200 3.200 5.289 4.732 5.735 2.535 11 20 [********-*+*********] 3
34 1 39 VAL O 1 44 ARG H 2.200 . 2.200 4.505 3.927 4.944 2.744 11 20 [********-*+*********] 3
35 1 40 VAL O 1 45 GLU N 3.200 2.200 3.200 4.179 3.473 4.524 1.324 20 19 "[****-*** **********+]" 3
36 1 40 VAL O 1 45 GLU H 2.200 . 2.200 3.443 2.657 3.941 1.741 20 19 "[****-*** **********+]" 3
37 1 41 ASN O 1 46 GLU N 3.200 2.200 3.200 5.054 4.860 5.273 2.073 8 20 [*******+**-*********] 3
38 1 41 ASN O 1 46 GLU H 2.200 . 2.200 4.284 4.058 4.566 2.366 8 20 [*******+*****-******] 3
39 1 42 GLU O 1 47 GLU N 3.200 2.200 3.200 4.243 3.749 4.698 1.498 8 20 [*-*****+************] 3
40 1 42 GLU O 1 47 GLU H 2.200 . 2.200 3.451 2.849 3.964 1.764 8 20 [*-*****+************] 3
41 1 43 ARG O 1 48 SER N 3.200 2.200 3.200 3.697 2.682 4.402 1.202 8 8 "[* *. +-1 * . * **]" 3
42 1 43 ARG O 1 48 SER H 2.200 . 2.200 2.890 1.800 3.682 1.482 8 12 "[* *** +*1 ** - * **]" 3
43 1 44 ARG O 1 49 ALA N 3.200 2.200 3.200 5.294 4.923 5.608 2.408 13 20 [*-**********+*******] 3
44 1 44 ARG O 1 49 ALA H 2.200 . 2.200 4.608 4.264 4.922 2.722 13 20 [*******-****+*******] 3
45 1 45 GLU O 1 50 ALA N 3.200 2.200 3.200 5.732 5.579 5.954 2.754 2 20 [*+**************-***] 3
46 1 45 GLU O 1 50 ALA H 2.200 . 2.200 5.078 4.904 5.307 3.107 2 20 [*+*****-************] 3
47 1 46 GLU O 1 51 ALA N 3.200 2.200 3.200 5.107 4.998 5.539 2.339 2 20 [*+****-*************] 3
48 1 46 GLU O 1 51 ALA H 2.200 . 2.200 4.395 4.256 4.823 2.623 2 20 [*+****-*************] 3
49 1 47 GLU O 1 52 ALA N 3.200 2.200 3.200 4.960 4.725 5.150 1.950 14 20 [*******-*****+******] 3
50 1 47 GLU O 1 52 ALA H 2.200 . 2.200 4.190 3.924 4.367 2.167 14 20 [*******-*****+******] 3
51 1 48 SER O 1 53 GLU N 3.200 2.200 3.200 5.015 4.779 5.263 2.063 19 20 [*****************-+*] 3
52 1 48 SER O 1 53 GLU H 2.200 . 2.200 4.264 4.016 4.552 2.352 14 20 [*************+***-**] 3
53 1 49 ALA O 1 54 VAL N 3.200 2.200 3.200 4.889 4.385 5.244 2.044 14 20 [*******-*****+******] 3
54 1 49 ALA O 1 54 VAL H 2.200 . 2.200 4.174 3.529 4.482 2.282 2 20 [*+*****-************] 3
55 2 15 ARG O 2 20 GLN N 3.200 2.200 3.200 5.807 5.677 5.918 2.718 12 20 [******-****+********] 3
56 2 15 ARG O 2 20 GLN H 2.200 . 2.200 5.026 4.893 5.136 2.936 12 20 [******-****+********] 3
57 2 16 THR O 2 21 ALA N 3.200 2.200 3.200 4.806 4.645 4.981 1.781 2 20 [*+***-**************] 3
58 2 16 THR O 2 21 ALA H 2.200 . 2.200 4.016 3.850 4.216 2.016 2 20 [*+***-**************] 3
59 2 17 LEU O 2 22 ARG N 3.200 2.200 3.200 4.049 3.937 4.398 1.198 13 20 [************+*****-*] 3
60 2 17 LEU O 2 22 ARG H 2.200 . 2.200 3.317 3.196 3.697 1.497 13 20 [************+*****-*] 3
61 2 26 LEU O 2 31 GLU N 3.200 2.200 3.200 5.452 5.347 5.577 2.377 3 20 [**+****-************] 3
62 2 26 LEU O 2 31 GLU H 2.200 . 2.200 4.542 4.450 4.646 2.446 3 20 [**+****-************] 3
63 2 27 GLU O 2 32 MET N 3.200 2.200 3.200 5.042 4.944 5.213 2.013 6 20 [****-+**************] 3
64 2 27 GLU O 2 32 MET H 2.200 . 2.200 4.321 4.228 4.477 2.277 6 20 [*****+***********-**] 3
65 2 28 THR O 2 33 LEU N 3.200 2.200 3.200 4.202 4.089 4.411 1.211 8 20 [******-+************] 3
66 2 28 THR O 2 33 LEU H 2.200 . 2.200 3.320 3.196 3.533 1.333 8 20 [******-+************] 3
67 2 29 LEU O 2 34 GLU N 3.200 2.200 3.200 2.972 2.798 3.122 . 0 0 "[ . 1 . 2]" 3
68 2 29 LEU O 2 34 GLU H 2.200 . 2.200 2.180 1.948 2.399 0.199 6 0 "[ . 1 . 2]" 3
69 2 30 GLU O 2 35 LYS N 3.200 2.200 3.200 5.079 4.807 5.260 2.060 6 20 [**-**+**************] 3
70 2 30 GLU O 2 35 LYS H 2.200 . 2.200 4.566 4.282 4.775 2.575 6 20 [-****+**************] 3
71 2 31 GLU O 2 36 LEU N 3.200 2.200 3.200 5.708 5.546 5.866 2.666 16 20 [-**************+****] 3
72 2 31 GLU O 2 36 LEU H 2.200 . 2.200 4.981 4.843 5.150 2.950 16 20 [*************-*+****] 3
73 2 32 MET O 2 37 GLU N 3.200 2.200 3.200 4.801 4.569 5.029 1.829 3 20 [**+**-**************] 3
74 2 32 MET O 2 37 GLU H 2.200 . 2.200 4.129 3.854 4.420 2.220 3 20 [**+**-**************] 3
75 2 33 LEU O 2 38 VAL N 3.200 2.200 3.200 5.094 4.835 5.335 2.135 13 20 [************+*-*****] 3
76 2 33 LEU O 2 38 VAL H 2.200 . 2.200 4.373 4.113 4.639 2.439 13 20 [************+*-*****] 3
77 2 34 GLU O 2 39 VAL N 3.200 2.200 3.200 5.340 5.099 5.482 2.282 11 20 [**********+***-*****] 3
78 2 34 GLU O 2 39 VAL H 2.200 . 2.200 4.624 4.384 4.792 2.592 11 20 [**********+***-*****] 3
79 2 35 LYS O 2 40 VAL N 3.200 2.200 3.200 4.918 4.709 5.099 1.899 6 20 [*****+**-***********] 3
80 2 35 LYS O 2 40 VAL H 2.200 . 2.200 4.238 4.006 4.422 2.222 6 20 [*****+**-***********] 3
81 2 36 LEU O 2 41 ASN N 3.200 2.200 3.200 5.347 5.012 5.607 2.407 6 20 [**-**+**************] 3
82 2 36 LEU O 2 41 ASN H 2.200 . 2.200 4.614 4.220 4.869 2.669 6 20 [**-**+**************] 3
83 2 37 GLU O 2 42 GLU N 3.200 2.200 3.200 4.968 4.881 5.052 1.852 17 20 [***************-+***] 3
84 2 37 GLU O 2 42 GLU H 2.200 . 2.200 4.411 4.342 4.497 2.297 9 20 [********+******-****] 3
85 2 38 VAL O 2 43 ARG N 3.200 2.200 3.200 5.057 4.849 5.260 2.060 3 20 [**+*********-*******] 3
86 2 38 VAL O 2 43 ARG H 2.200 . 2.200 4.241 3.995 4.483 2.283 3 20 [**+*********-*******] 3
87 2 39 VAL O 2 44 ARG N 3.200 2.200 3.200 5.243 4.685 5.745 2.545 3 20 [**+*********-*******] 3
88 2 39 VAL O 2 44 ARG H 2.200 . 2.200 4.451 3.869 4.931 2.731 18 20 [************-****+**] 3
89 2 40 VAL O 2 45 GLU N 3.200 2.200 3.200 4.117 3.331 4.586 1.386 10 18 "[****** **+** *****-*]" 3
90 2 40 VAL O 2 45 GLU H 2.200 . 2.200 3.384 2.547 4.003 1.803 10 18 "[****** **+** *****-*]" 3
91 2 41 ASN O 2 46 GLU N 3.200 2.200 3.200 5.056 4.761 5.255 2.055 12 20 [**-********+********] 3
92 2 41 ASN O 2 46 GLU H 2.200 . 2.200 4.283 3.942 4.517 2.317 12 20 [**-********+********] 3
93 2 42 GLU O 2 47 GLU N 3.200 2.200 3.200 4.237 3.696 4.839 1.639 10 19 "[* *******+*******-**]" 3
94 2 42 GLU O 2 47 GLU H 2.200 . 2.200 3.446 2.812 4.101 1.901 9 20 [*-******+***********] 3
95 2 43 ARG O 2 48 SER N 3.200 2.200 3.200 3.681 2.798 4.863 1.663 9 10 "[* *. - +* ** . * **]" 3
96 2 43 ARG O 2 48 SER H 2.200 . 2.200 2.877 1.907 4.362 2.162 9 11 "[* *. *-+* ** . * **]" 3
97 2 44 ARG O 2 49 ALA N 3.200 2.200 3.200 5.265 4.776 5.665 2.465 7 20 [*-****+*************] 3
98 2 44 ARG O 2 49 ALA H 2.200 . 2.200 4.581 4.198 4.944 2.744 7 20 [*-****+*************] 3
99 2 45 GLU O 2 50 ALA N 3.200 2.200 3.200 5.703 5.411 5.870 2.670 2 20 [*+******-***********] 3
100 2 45 GLU O 2 50 ALA H 2.200 . 2.200 5.056 4.726 5.239 3.039 2 20 [*+******-***********] 3
101 2 46 GLU O 2 51 ALA N 3.200 2.200 3.200 5.084 4.759 5.467 2.267 2 20 [*+******-***********] 3
102 2 46 GLU O 2 51 ALA H 2.200 . 2.200 4.371 4.026 4.765 2.565 2 20 [*+******-***********] 3
103 2 47 GLU O 2 52 ALA N 3.200 2.200 3.200 4.970 4.653 5.139 1.939 8 20 [*******+*-**********] 3
104 2 47 GLU O 2 52 ALA H 2.200 . 2.200 4.198 3.859 4.348 2.148 8 20 [*******+*-**********] 3
105 2 48 SER O 2 53 GLU N 3.200 2.200 3.200 5.037 4.739 5.297 2.097 19 20 [****-*************+*] 3
106 2 48 SER O 2 53 GLU H 2.200 . 2.200 4.299 3.973 4.544 2.344 10 20 [*********+****-*****] 3
107 2 49 ALA O 2 54 VAL N 3.200 2.200 3.200 4.935 4.725 5.159 1.959 14 20 [*******-*****+******] 3
108 2 49 ALA O 2 54 VAL H 2.200 . 2.200 4.229 3.950 4.406 2.206 7 20 [******+-************] 3
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