NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609226 |
5t17   |
30157 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5t17
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 232
_Distance_constraint_stats_list.Viol_count 901
_Distance_constraint_stats_list.Viol_total 15307.527
_Distance_constraint_stats_list.Viol_max 2.116
_Distance_constraint_stats_list.Viol_rms 0.2880
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0733
_Distance_constraint_stats_list.Viol_average_violations_only 0.5663
_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 3 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 LYS 14.095 0.519 1 5 "[+ . * 1 . 2* -. * 3]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 THR 2.301 0.209 11 0 "[ . 1 . 2 . 3]"
1 7 VAL 57.676 2.063 18 30 [*************-***+************]
1 9 ILE 18.428 0.702 4 25 "[* *+*****- ***.* *********** *]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 ASN 17.517 0.702 4 25 "[* *+*****- ***.* *********** *]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 LEU 101.450 2.116 29 30 [*************-**************+*]
1 15 MET 2.635 1.195 26 2 "[ . - . 2 .+ 3]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 PRO 31.937 1.620 6 27 "[*****+***-******** *****. ****]"
1 20 ALA 0.984 0.139 14 0 "[ . 1 . 2 . 3]"
1 21 MET 9.645 0.632 7 3 "[ . + 1 . 2 *.- 3]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 LEU 9.197 0.250 9 0 "[ . 1 . 2 . 3]"
1 24 PHE 1.158 0.105 12 0 "[ . 1 . 2 . 3]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 LEU 0.674 0.150 4 0 "[ . 1 . 2 . 3]"
1 27 MET 19.889 1.333 22 22 "[ ***. **** **-* ****+* *** **]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 PHE 28.347 1.333 22 22 "[ ***. **** **-* ****+* *** **]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 ALA 0.070 0.012 5 0 "[ . 1 . 2 . 3]"
1 33 GLU 0.016 0.016 17 0 "[ . 1 . 2 . 3]"
1 34 VAL 9.092 0.393 19 0 "[ . 1 . 2 . 3]"
1 35 LEU 0.563 0.161 29 0 "[ . 1 . 2 . 3]"
1 36 LEU 43.079 1.722 15 30 [*************-+***************]
1 37 ARG 58.733 2.116 29 30 [********************-*******+*]
1 38 ASN 29.056 1.027 23 30 [********************-*+*******]
1 42 THR 0.236 0.056 14 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.563 0.161 29 0 "[ . 1 . 2 . 3]"
1 46 ALA 1.207 0.237 30 0 "[ . 1 . 2 . 3]"
1 47 ASN 0.874 0.105 12 0 "[ . 1 . 2 . 3]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 LEU 95.426 1.969 15 30 [**************+**********-****]
1 53 LEU 0.084 0.084 25 0 "[ . 1 . 2 . 3]"
1 54 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 LEU 29.986 1.217 6 30 [*****+*************-**********]
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ALA 6.474 0.637 4 6 "[* +. 1 . *2 * . -* 3]"
1 59 LYS 0.566 0.208 25 0 "[ . 1 . 2 . 3]"
1 61 ARG 4.822 0.637 4 6 "[* +. 1 . *2 * . -* 3]"
1 62 GLN 0.060 0.023 9 0 "[ . 1 . 2 . 3]"
1 63 ILE 29.056 1.027 23 30 [********************-*+*******]
1 64 GLU 2.343 0.209 11 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 GLU 14.003 0.519 1 5 "[+ . * 1 . 2* -. * 3]"
1 67 ALA 2.963 0.393 19 0 "[ . 1 . 2 . 3]"
1 68 THR 0.016 0.016 17 0 "[ . 1 . 2 . 3]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 GLU 0.070 0.012 5 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 GLU 3.669 0.704 19 5 "[ * . 1 - . +2 .* *3]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 LEU 54.001 1.288 26 30 [******-******************+****]
1 77 ALA 7.649 0.298 5 0 "[ . 1 . 2 . 3]"
1 78 ALA 39.720 1.620 6 27 "[*****+***-******** *****. ****]"
1 79 VAL 37.576 1.288 26 30 [-************************+****]
1 80 ILE 46.872 0.974 5 30 [****+*********************-***]
1 81 ALA 4.754 0.253 24 0 "[ . 1 . 2 . 3]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 83 PHE 158.801 2.063 18 30 [*****************+********-***]
1 84 ASN 0.016 0.016 15 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL QG 1 4 LYS QE 3.000 . 4.300 3.146 3.043 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 3 VAL HB 1 67 ALA MB 4.000 . 5.500 3.820 3.482 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 VAL MG2 1 68 THR HA 4.000 . 5.500 3.726 3.602 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 3 VAL MG1 1 72 GLU QG 4.000 . 5.500 3.827 3.583 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 3 VAL MG2 1 72 GLU QG 3.000 . 3.800 2.717 2.566 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 3 VAL MG2 1 73 GLU QG 4.000 . 5.500 2.271 2.046 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 3 VAL MG1 1 73 GLU QG 3.000 . 3.800 1.978 1.934 2.019 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 VAL MG1 1 73 GLU HA 3.000 . 3.800 2.976 2.905 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 VAL MG2 1 73 GLU HA 2.500 . 3.200 2.371 2.227 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 4 LYS HA 1 4 LYS QG 3.000 . 3.800 3.386 3.305 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 4 LYS QB 1 65 VAL QG 4.000 . 5.500 3.598 3.530 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 4 LYS HB2 1 66 GLU HA 4.000 . 5.000 3.073 2.824 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 4 LYS QG 1 66 GLU HA 3.000 . 3.800 4.267 4.181 4.319 0.519 1 5 "[+ . * 1 . 2* -. * 3]" 1
14 1 4 LYS HB3 1 66 GLU HA 4.000 . 5.000 2.261 2.178 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 4 LYS HA 1 66 GLU QG 4.000 . 5.500 3.755 3.689 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 LYS QB 1 66 GLU HA 3.000 . 3.800 2.204 2.142 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 LYS HA 1 66 GLU HA 2.500 . 2.700 1.920 1.881 1.960 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 LYS HA 1 76 LEU MD1 4.000 . 5.500 2.329 2.054 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 LYS HA 1 76 LEU QD 2.500 . 2.700 2.322 2.048 2.792 0.092 13 0 "[ . 1 . 2 . 3]" 1
20 1 5 GLN QG 1 76 LEU MD1 4.000 . 6.000 2.044 1.888 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 5 GLN QB 1 76 LEU QD 3.000 . 3.800 3.274 2.959 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 5 GLN QG 1 76 LEU QD 2.500 . 3.200 1.999 1.871 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 5 GLN QG 1 80 ILE MD 3.000 . 4.300 3.424 2.988 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 6 THR MG 1 62 GLN QG 4.000 . 5.500 3.056 1.861 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 6 THR MG 1 62 GLN HB2 2.500 . 3.200 2.535 2.234 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 6 THR HA 1 64 GLU HB3 4.000 . 5.000 4.780 4.595 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 6 THR HA 1 64 GLU HB2 4.000 . 5.000 4.301 4.147 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 6 THR MG 1 64 GLU HA 3.000 . 3.800 2.697 2.424 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 6 THR HA 1 64 GLU HA 3.000 . 3.300 1.968 1.828 2.085 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 6 THR MG 1 64 GLU HB2 2.500 . 3.200 3.277 3.194 3.409 0.209 11 0 "[ . 1 . 2 . 3]" 1
31 1 7 VAL HA 1 7 VAL QG 2.500 . 2.700 1.992 1.972 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 7 VAL HB 1 9 ILE MD 4.000 . 5.500 3.468 2.786 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 7 VAL QG 1 64 GLU HA 4.000 . 5.000 4.135 3.953 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 7 VAL HA 1 80 ILE MD 4.000 . 5.500 4.037 3.738 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 7 VAL HB 1 80 ILE MD 4.000 . 5.500 4.149 3.986 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 7 VAL QG 1 83 PHE HB3 4.000 . 5.000 1.918 1.815 1.991 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 7 VAL QG 1 83 PHE HB2 4.000 . 5.000 2.170 2.041 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 7 VAL QG 1 83 PHE QD 3.000 . 3.800 2.033 1.969 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 7 VAL QG 1 83 PHE QE 3.000 . 3.800 3.600 3.519 3.932 0.132 18 0 "[ . 1 . 2 . 3]" 1
40 1 7 VAL QG 1 83 PHE HZ 3.000 . 3.300 5.218 5.152 5.363 2.063 18 30 [*************-***+************] 1
41 1 9 ILE HA 1 9 ILE MD 4.000 . 5.500 3.063 2.442 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 9 ILE HA 1 9 ILE QG 3.000 . 3.800 3.050 2.678 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 9 ILE HA 1 9 ILE MG 2.500 . 3.200 2.145 2.021 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 9 ILE QG 1 11 ASN HA 3.000 . 3.800 4.384 4.215 4.502 0.702 4 25 "[* *+*****- ***.* *********** *]" 1
45 1 9 ILE MG 1 12 LYS HA 4.000 . 5.500 3.707 3.013 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 9 ILE MD 1 13 LEU QB 3.000 . 4.300 2.248 1.712 3.448 0.088 29 0 "[ . 1 . 2 . 3]" 1
47 1 9 ILE MD 1 15 MET QB 4.000 . 5.500 4.523 4.261 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 9 ILE HB 1 58 ALA MB 4.000 . 5.500 3.441 2.598 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 9 ILE MD 1 58 ALA MB 3.000 . 4.300 2.785 2.491 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 9 ILE HB 1 59 LYS HA 4.000 . 5.000 4.506 3.383 5.208 0.208 25 0 "[ . 1 . 2 . 3]" 1
51 1 9 ILE MG 1 62 GLN HA 4.000 . 5.500 5.333 4.980 5.523 0.023 9 0 "[ . 1 . 2 . 3]" 1
52 1 9 ILE QG 1 62 GLN HA 4.000 . 5.500 2.783 2.244 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 9 ILE MG 1 83 PHE QD 4.000 . 6.000 5.020 4.565 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 9 ILE MD 1 83 PHE HB2 4.000 . 5.500 5.408 5.283 5.532 0.032 4 0 "[ . 1 . 2 . 3]" 1
55 1 9 ILE MD 1 83 PHE QE 4.000 . 6.000 4.444 4.056 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 9 ILE MG 1 83 PHE QE 4.000 . 6.000 5.725 5.542 5.855 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 9 ILE MD 1 83 PHE HB3 4.000 . 5.500 4.014 3.853 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 ILE MD 1 83 PHE QD 4.000 . 6.000 3.984 3.744 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 10 THR HA 1 10 THR MG 3.000 . 3.800 3.081 2.153 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 13 LEU QD 1 36 LEU HA 3.000 . 3.300 4.736 4.347 5.022 1.722 15 30 [*************-+***************] 1
61 1 13 LEU QD 1 37 ARG HA 3.000 . 3.300 5.238 5.045 5.416 2.116 29 30 [********************-*******+*] 1
62 1 13 LEU QD 1 83 PHE QD 4.000 . 5.500 3.154 2.663 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 13 LEU QD 1 83 PHE QE 3.000 . 3.800 2.463 2.185 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 13 LEU QD 1 83 PHE HZ 3.000 . 3.300 2.527 2.117 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 15 MET HA 1 52 LEU QD 4.000 . 5.000 4.174 2.839 6.195 1.195 26 2 "[ . - . 2 .+ 3]" 1
66 1 16 HIS QB 1 19 PRO QD 4.000 . 5.500 3.394 2.182 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 17 ALA HA 1 19 PRO QD 4.000 . 5.500 4.221 3.557 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 17 ALA MB 1 19 PRO QD 4.000 . 6.000 4.407 3.335 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 17 ALA HA 1 20 ALA MB 3.000 . 3.800 3.002 2.683 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 17 ALA MB 1 21 MET HG3 4.000 . 5.500 3.076 2.055 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 17 ALA MB 1 21 MET HG2 4.000 . 5.500 3.895 2.932 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 19 PRO HA 1 78 ALA MB 4.000 . 5.500 6.565 5.645 7.120 1.620 6 27 "[*****+***-******** *****. ****]" 1
73 1 20 ALA HA 1 23 LEU QB 4.000 . 5.000 3.450 2.999 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 20 ALA MB 1 24 PHE QE 4.000 . 6.000 3.907 2.338 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 20 ALA MB 1 24 PHE QD 4.000 . 6.000 5.074 3.146 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 20 ALA HA 1 52 LEU QD 3.000 . 3.300 3.020 2.036 3.439 0.139 14 0 "[ . 1 . 2 . 3]" 1
77 1 21 MET HA 1 24 PHE QD 4.000 . 5.500 3.094 2.667 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 21 MET HA 1 24 PHE QB 3.000 . 3.800 3.459 2.764 3.885 0.085 21 0 "[ . 1 . 2 . 3]" 1
79 1 21 MET HG3 1 52 LEU QB 4.000 . 5.500 4.946 4.510 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 21 MET HG2 1 52 LEU QB 4.000 . 5.500 4.867 4.283 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 21 MET HG2 1 52 LEU QD 3.000 . 3.300 3.092 2.030 3.932 0.632 7 2 "[ . + 1 . 2 -. 3]" 1
82 1 21 MET HG3 1 52 LEU QD 3.000 . 3.300 3.364 2.870 3.807 0.507 26 1 "[ . 1 . 2 .+ 3]" 1
83 1 22 LYS HA 1 25 GLU QB 2.500 . 3.200 2.439 2.248 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 23 LEU HA 1 23 LEU QD 2.500 . 2.700 2.735 2.542 2.873 0.173 7 0 "[ . 1 . 2 . 3]" 1
85 1 23 LEU MD2 1 24 PHE QE 4.000 . 6.000 2.713 2.300 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 23 LEU HA 1 24 PHE QD 4.000 . 5.500 4.068 3.910 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 23 LEU MD2 1 24 PHE QD 4.000 . 6.000 3.633 3.481 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 23 LEU HA 1 26 LEU QB 3.000 . 3.800 2.518 2.209 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 23 LEU HA 1 34 VAL MG2 3.000 . 3.800 3.964 3.823 4.050 0.250 9 0 "[ . 1 . 2 . 3]" 1
90 1 23 LEU MD2 1 83 PHE QE 4.000 . 6.000 4.078 3.457 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 23 LEU MD2 1 83 PHE HZ 3.000 . 3.800 3.686 2.939 3.926 0.126 26 0 "[ . 1 . 2 . 3]" 1
92 1 23 LEU MD1 1 83 PHE HZ 3.000 . 3.800 3.837 3.717 4.031 0.231 26 0 "[ . 1 . 2 . 3]" 1
93 1 24 PHE HA 1 24 PHE QD 3.000 . 3.800 2.581 2.262 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 24 PHE HA 1 27 MET QB 4.000 . 5.500 2.228 2.025 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 24 PHE QE 1 46 ALA MB 4.000 . 6.000 2.384 2.052 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 24 PHE QD 1 46 ALA MB 4.000 . 6.000 2.871 2.117 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 24 PHE HA 1 47 ASN HB2 4.000 . 5.000 4.799 4.009 5.105 0.105 12 0 "[ . 1 . 2 . 3]" 1
98 1 24 PHE QD 1 47 ASN HA 4.000 . 5.500 3.111 2.661 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 24 PHE HZ 1 49 VAL MG2 4.000 . 5.500 4.339 4.153 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 24 PHE QD 1 49 VAL MG2 4.000 . 6.000 3.434 2.654 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 24 PHE HZ 1 49 VAL HA 4.000 . 5.000 3.762 3.402 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 24 PHE QD 1 52 LEU QD 4.000 . 6.000 3.664 3.050 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 26 LEU HA 1 26 LEU QD 2.500 . 2.700 1.887 1.800 1.993 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 26 LEU QD 1 27 MET HA 4.000 . 5.500 2.566 2.305 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 26 LEU QB 1 30 PHE QE 4.000 . 6.000 4.486 4.301 5.106 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 26 LEU QD 1 30 PHE QD 3.000 . 3.800 1.889 1.650 2.357 0.150 4 0 "[ . 1 . 2 . 3]" 1
107 1 27 MET HA 1 30 PHE QD 3.000 . 3.800 4.463 3.985 5.133 1.333 22 22 "[ ***. **** **-* ****+* *** **]" 1
108 1 28 GLN HA 1 28 GLN QG 3.000 . 3.800 2.760 2.158 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 30 PHE HA 1 30 PHE QD 3.000 . 3.800 2.246 2.110 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 30 PHE HA 1 71 GLN HB2 4.000 . 5.000 2.369 2.154 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 30 PHE QD 1 71 GLN HB2 4.000 . 5.500 3.060 2.799 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 30 PHE QB 1 71 GLN QB 4.000 . 6.000 2.013 1.959 2.111 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 30 PHE QD 1 71 GLN HB3 4.000 . 5.500 2.580 2.335 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 30 PHE HA 1 71 GLN QG 4.000 . 5.500 3.943 3.433 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 30 PHE QD 1 74 GLU QG 4.000 . 5.500 3.666 2.176 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 30 PHE QD 1 74 GLU QB 3.000 . 4.300 3.126 2.776 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 30 PHE HA 1 75 ALA MB 4.000 . 5.500 4.570 4.517 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 30 PHE QB 1 75 ALA MB 3.000 . 4.300 2.111 2.035 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 30 PHE QE 1 75 ALA MB 3.000 . 4.300 3.632 3.446 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 30 PHE QE 1 75 ALA HA 3.000 . 3.800 2.286 2.190 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 30 PHE HZ 1 78 ALA MB 2.500 . 3.200 3.459 3.387 3.558 0.358 10 0 "[ . 1 . 2 . 3]" 1
122 1 31 ASP QB 1 70 PRO QB 4.000 . 5.500 2.156 2.110 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 32 ALA MB 1 67 ALA HA 4.000 . 5.500 3.730 3.500 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 32 ALA MB 1 69 GLY HA3 4.000 . 5.500 2.687 2.606 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 32 ALA HA 1 72 GLU QB 4.000 . 5.000 3.423 3.277 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 32 ALA MB 1 72 GLU HA 2.500 . 3.200 1.804 1.788 1.868 0.012 5 0 "[ . 1 . 2 . 3]" 1
127 1 33 GLU HB2 1 68 THR HB 3.000 . 3.300 3.130 2.891 3.316 0.016 17 0 "[ . 1 . 2 . 3]" 1
128 1 34 VAL HA 1 34 VAL MG2 3.000 . 3.800 2.679 2.450 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 34 VAL HA 1 34 VAL QG 2.500 . 2.700 2.135 1.996 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 34 VAL HA 1 46 ALA MB 4.000 . 5.500 4.060 3.805 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 34 VAL HB 1 46 ALA MB 3.000 . 3.800 2.348 1.851 4.037 0.237 30 0 "[ . 1 . 2 . 3]" 1
132 1 34 VAL HB 1 67 ALA HA 4.000 . 5.000 4.399 3.038 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 34 VAL HA 1 67 ALA MB 3.000 . 3.800 2.426 2.185 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 34 VAL MG2 1 67 ALA HA 3.000 . 3.800 3.465 3.037 4.193 0.393 19 0 "[ . 1 . 2 . 3]" 1
135 1 34 VAL HA 1 67 ALA HA 2.500 . 2.700 1.782 1.633 1.850 0.167 19 0 "[ . 1 . 2 . 3]" 1
136 1 34 VAL QG 1 67 ALA HA 3.000 . 3.300 2.817 2.270 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 35 LEU HA 1 35 LEU QD 3.000 . 3.300 2.465 2.054 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 35 LEU QD 1 37 ARG QB 4.000 . 5.000 2.452 2.189 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 35 LEU HA 1 45 GLU HA 4.000 . 5.000 2.617 2.298 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 35 LEU QB 1 45 GLU HA 4.000 . 5.500 3.605 2.759 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 35 LEU QD 1 45 GLU HA 3.000 . 3.300 2.700 2.173 3.461 0.161 29 0 "[ . 1 . 2 . 3]" 1
142 1 35 LEU QD 1 45 GLU QG 3.000 . 3.800 2.841 2.293 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 36 LEU HA 1 36 LEU QD 3.000 . 3.200 2.316 2.152 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 36 LEU QD 1 46 ALA HA . . 3.200 2.861 2.620 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 36 LEU HA 1 63 ILE QG 4.000 . 5.500 3.158 2.861 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 36 LEU QD 1 83 PHE HZ 4.000 . 5.500 1.958 1.902 2.031 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 36 LEU QD 1 83 PHE QD 4.000 . 6.000 4.421 4.361 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 36 LEU QD 1 83 PHE QE 4.000 . 6.000 2.916 2.847 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 37 ARG QB 1 37 ARG QD 3.000 . 3.800 2.255 1.957 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 37 ARG HA 1 37 ARG QG 3.000 . 3.300 3.293 2.858 3.497 0.197 10 0 "[ . 1 . 2 . 3]" 1
151 1 37 ARG QB 1 64 GLU QB 3.000 . 3.800 3.660 2.842 3.830 0.030 25 0 "[ . 1 . 2 . 3]" 1
152 1 38 ASN HA 1 63 ILE HB 4.000 . 5.000 3.959 3.837 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 38 ASN HB2 1 63 ILE MD 4.000 . 5.500 4.207 3.945 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 38 ASN HA 1 63 ILE MG 3.000 . 3.800 4.769 4.692 4.827 1.027 23 30 [********************-*+*******] 1
155 1 42 THR HA 1 42 THR MG 2.500 . 3.200 2.653 2.203 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 42 THR MG 1 55 LEU QB 3.000 . 4.300 2.812 2.056 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 42 THR MG 1 55 LEU QD 2.500 . 3.200 2.122 1.744 3.155 0.056 14 0 "[ . 1 . 2 . 3]" 1
158 1 44 ALA MB 1 51 ALA HA 3.000 . 3.800 2.856 2.207 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 45 GLU QB 1 48 SER HB3 4.000 . 5.000 4.321 2.785 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 45 GLU QB 1 48 SER HB2 4.000 . 5.000 2.980 2.543 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 46 ALA MB 1 47 ASN HA 4.000 . 5.500 4.053 3.473 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 48 SER HB3 1 51 ALA MB 4.000 . 5.500 2.279 2.132 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 48 SER HB2 1 51 ALA MB 4.000 . 5.500 2.351 2.095 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 49 VAL HA 1 49 VAL QG 2.500 . 2.700 2.091 2.050 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 49 VAL HA 1 52 LEU QB . . 3.300 2.558 2.088 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 50 ILE MG 1 51 ALA HA 3.000 . 3.800 2.865 2.826 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 50 ILE HA 1 53 LEU HB2 4.000 . 5.000 2.749 2.293 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 50 ILE HA 1 53 LEU HB3 4.000 . 5.000 3.058 2.507 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 51 ALA HA 1 54 MET QB 3.000 . 3.800 2.743 2.243 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 52 LEU HA 1 55 LEU QB 2.500 . 3.200 4.137 3.786 4.417 1.217 6 30 [*****+*************-**********] 1
171 1 52 LEU QD 1 83 PHE HZ 4.000 . 5.500 4.032 3.907 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 52 LEU QD 1 83 PHE QE 4.000 . 6.000 4.460 3.767 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 52 LEU QD 1 83 PHE QD 3.000 . 4.300 6.112 5.405 6.269 1.969 15 30 [******-*******+***************] 1
174 1 53 LEU HA 1 53 LEU QD 2.500 . 2.700 2.041 1.926 2.784 0.084 25 0 "[ . 1 . 2 . 3]" 1
175 1 53 LEU HA 1 56 ASP QB 3.000 . 3.800 2.307 2.035 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 55 LEU HA 1 58 ALA MB 3.000 . 3.800 3.835 3.527 3.976 0.176 15 0 "[ . 1 . 2 . 3]" 1
177 1 58 ALA HA 1 61 ARG QB . . 3.300 2.541 2.115 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 58 ALA HA 1 61 ARG QG 3.000 . 3.800 3.053 1.901 4.198 0.398 25 0 "[ . 1 . 2 . 3]" 1
179 1 58 ALA HA 1 61 ARG QD 3.000 . 3.800 3.050 2.205 4.437 0.637 4 6 "[* +. 1 . *2 * . -* 3]" 1
180 1 58 ALA HA 1 63 ILE MD 4.000 . 5.500 5.375 5.041 5.488 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 63 ILE MD 1 83 PHE HZ 4.000 . 5.500 4.559 4.487 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 63 ILE MG 1 83 PHE QE 4.000 . 6.000 2.564 2.104 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 64 GLU HA 1 64 GLU QG 2.500 . 3.200 2.233 2.051 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 66 GLU HA 1 66 GLU QG 3.000 . 3.800 2.413 2.385 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 66 GLU HA 1 76 LEU QD 3.000 . 3.300 2.757 2.335 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 67 ALA MB 1 72 GLU QG 4.000 . 5.500 3.685 3.628 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 67 ALA MB 1 72 GLU QB 3.000 . 3.800 1.863 1.832 1.901 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 67 ALA MB 1 72 GLU HA 2.500 . 3.200 2.391 2.223 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 67 ALA MB 1 76 LEU QD 2.500 . 3.200 2.417 2.242 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 68 THR HA 1 68 THR MG 3.000 . 3.800 2.273 2.241 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 68 THR MG 1 69 GLY HA2 4.000 . 5.500 3.510 3.455 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 68 THR HA 1 72 GLU QG 4.000 . 5.000 3.223 3.058 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 68 THR HA 1 72 GLU QB . . 3.300 2.713 2.594 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 69 GLY HA3 1 70 PRO QG 4.000 . 5.500 4.323 4.287 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 69 GLY HA2 1 70 PRO QD 2.500 . 3.200 2.277 2.213 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 69 GLY HA3 1 70 PRO QD 3.000 . 3.800 2.356 2.320 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 70 PRO HA 1 70 PRO QD 4.000 . 5.500 3.164 3.027 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 71 GLN HA 1 71 GLN HG3 4.000 . 5.000 2.406 2.124 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 71 GLN HA 1 71 GLN HG2 4.000 . 5.000 2.900 2.554 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 72 GLU HA 1 75 ALA MB 2.500 . 3.200 2.496 2.342 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 73 GLU HA 1 73 GLU QG 3.000 . 3.800 2.257 2.200 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 73 GLU HA 1 76 LEU QB . . 3.300 3.008 2.458 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 73 GLU HA 1 76 LEU MD1 4.000 . 5.500 3.956 3.732 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 74 GLU HA 1 74 GLU QG 2.500 . 2.700 2.760 2.601 3.404 0.704 19 5 "[ * . 1 - . +2 .* *3]" 1
205 1 74 GLU HA 1 77 ALA MB 2.500 . 3.200 2.245 1.941 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 75 ALA HA 1 78 ALA MB 3.000 . 3.800 2.655 2.338 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 76 LEU HA 1 76 LEU QD 2.500 . 2.700 3.244 3.083 3.280 0.580 21 27 "[******- ******** ***+***** ***]" 1
208 1 76 LEU HA 1 79 VAL HB 3.000 . 3.300 4.553 4.510 4.588 1.288 26 30 [-************************+****] 1
209 1 77 ALA HA 1 80 ILE HB 3.000 . 3.300 2.339 2.300 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 77 ALA HA 1 80 ILE MD 3.000 . 3.800 4.055 3.956 4.098 0.298 5 0 "[ . 1 . 2 . 3]" 1
211 1 77 ALA HA 1 80 ILE MG 3.000 . 3.800 3.554 3.531 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 79 VAL HA 1 79 VAL QG 3.000 . 3.300 2.587 2.570 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 79 VAL HA 1 79 VAL MG2 2.500 . 3.200 3.033 3.019 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 79 VAL HA 1 79 VAL MG1 2.500 . 3.200 2.806 2.771 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 79 VAL QG 1 80 ILE HA 4.000 . 5.000 2.605 2.572 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 79 VAL HA 1 82 LEU HB2 3.000 . 3.300 2.487 2.135 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 79 VAL HA 1 82 LEU HB3 3.000 . 3.300 2.866 2.643 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 79 VAL QG 1 83 PHE QD 4.000 . 5.500 2.713 2.655 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 79 VAL QG 1 83 PHE QE 3.000 . 3.800 2.956 2.786 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 80 ILE HA 1 80 ILE MD 3.000 . 3.800 2.599 2.421 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 80 ILE HA 1 80 ILE MG 2.500 . 3.200 2.519 2.485 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 80 ILE MG 1 81 ALA HA 4.000 . 5.500 3.056 3.022 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 80 ILE QG 1 83 PHE HA 4.000 . 5.000 5.947 5.925 5.974 0.974 5 30 [****+*********************-***] 1
224 1 80 ILE MG 1 83 PHE HA 4.000 . 5.500 5.701 5.594 5.861 0.361 24 0 "[ . 1 . 2 . 3]" 1
225 1 80 ILE HA 1 83 PHE QD 4.000 . 5.500 3.732 3.616 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 80 ILE HA 1 83 PHE HB2 3.000 . 3.300 1.713 1.656 1.766 0.144 18 0 "[ . 1 . 2 . 3]" 1
227 1 80 ILE HA 1 83 PHE HB3 3.000 . 3.300 3.366 3.161 3.460 0.160 17 0 "[ . 1 . 2 . 3]" 1
228 1 81 ALA MB 1 83 PHE QD 4.000 . 6.000 6.158 6.055 6.253 0.253 24 0 "[ . 1 . 2 . 3]" 1
229 1 81 ALA HA 1 84 ASN HB3 4.000 . 5.000 2.839 2.565 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 81 ALA HA 1 84 ASN HB2 3.000 . 3.300 3.043 2.616 3.316 0.016 15 0 "[ . 1 . 2 . 3]" 1
231 1 82 LEU QD 1 84 ASN QB 4.000 . 5.500 5.082 4.827 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 83 PHE HA 1 83 PHE QD 3.000 . 3.800 2.265 2.210 2.334 . 0 0 "[ . 1 . 2 . 3]" 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 680
_Distance_constraint_stats_list.Viol_count 5505
_Distance_constraint_stats_list.Viol_total 69502.109
_Distance_constraint_stats_list.Viol_max 2.444
_Distance_constraint_stats_list.Viol_rms 0.3095
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1136
_Distance_constraint_stats_list.Viol_average_violations_only 0.4208
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 49.826 1.754 17 30 [****-***********+*************]
1 3 VAL 75.401 1.437 17 30 [****************+***-*********]
1 4 LYS 183.070 1.754 17 30 [***************-+*************]
1 5 GLN 169.117 1.628 7 30 [******+*************-*********]
1 6 THR 166.633 2.093 10 30 [*********+*-******************]
1 7 VAL 179.991 2.093 10 30 [*********+**-*****************]
1 8 GLU 30.830 0.981 12 30 [*********-*+******************]
1 9 ILE 41.245 0.921 21 27 "[******** *****.*****+* -******]"
1 10 THR 2.913 0.147 8 0 "[ . 1 . 2 . 3]"
1 11 ASN 4.123 0.485 24 0 "[ . 1 . 2 . 3]"
1 12 LYS 36.436 1.222 15 27 "[*********1* **+******-*** ****]"
1 13 LEU 12.968 0.668 14 11 "[ ** . - *1* +.* * * .** 3]"
1 14 GLY 27.497 1.222 15 27 "[*********1* **+******-*** ****]"
1 15 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 HIS 1.286 0.166 6 0 "[ . 1 . 2 . 3]"
1 17 ALA 1.286 0.166 6 0 "[ . 1 . 2 . 3]"
1 19 PRO 31.597 1.352 21 30 [*************-******+*********]
1 20 ALA 0.066 0.032 25 0 "[ . 1 . 2 . 3]"
1 21 MET 33.420 1.352 21 30 [*************-******+*********]
1 22 LYS 3.896 0.230 8 0 "[ . 1 . 2 . 3]"
1 23 LEU 175.734 2.444 2 30 [*+*****-**********************]
1 24 PHE 28.563 0.889 13 21 "[* * *** *-**+ **** ** **. ** *]"
1 25 GLU 46.712 1.385 8 29 [*******+******.-**************]
1 26 LEU 137.234 2.376 17 30 [*********-******+*************]
1 27 MET 27.972 0.805 13 27 "[************+*.-******* **** *]"
1 28 GLN 33.914 0.987 18 30 [*****************+******-*****]
1 29 GLY 6.582 0.207 1 0 "[ . 1 . 2 . 3]"
1 30 PHE 4.330 0.188 20 0 "[ . 1 . 2 . 3]"
1 31 ASP 57.085 1.175 6 30 [*****+******-*****************]
1 32 ALA 105.450 1.659 2 30 [*+******-*********************]
1 33 GLU 16.461 0.328 9 0 "[ . 1 . 2 . 3]"
1 34 VAL 110.684 1.659 2 30 [*+*************-**************]
1 35 LEU 49.384 1.087 19 25 "[* ***** **********+** **.* -**]"
1 36 LEU 39.560 0.888 10 30 [*********+*************-******]
1 37 ARG 52.065 0.889 24 30 [*****-*****************+******]
1 38 ASN 72.090 1.006 16 30 [*************-*+**************]
1 39 ASP 36.720 1.006 16 30 [***************+********-*****]
1 40 GLU 23.238 1.425 23 19 "[****. ***** ** ***2 +*. ** -]"
1 41 GLY 0.466 0.323 19 0 "[ . 1 . 2 . 3]"
1 42 THR 31.180 0.905 22 27 "[***-*****1* **.******+********]"
1 43 GLU 24.726 0.905 22 27 "[***-*****1* **.******+********]"
1 44 ALA 61.325 1.008 14 30 [*****-*******+****************]
1 45 GLU 25.758 0.830 22 30 [******************-**+********]
1 46 ALA 63.206 1.429 28 30 [*****************-*********+**]
1 47 ASN 0.159 0.061 7 0 "[ . 1 . 2 . 3]"
1 48 SER 64.699 1.429 28 30 [***********-***************+**]
1 49 VAL 4.077 0.186 24 0 "[ . 1 . 2 . 3]"
1 50 ILE 40.153 0.822 1 28 "[+********* ***-************ **]"
1 51 ALA 69.081 0.910 28 30 [**************-************+**]
1 52 LEU 27.966 1.385 8 20 "[*-*** *+** * *. ***** *** *3]"
1 53 LEU 8.507 0.247 3 0 "[ . 1 . 2 . 3]"
1 54 MET 22.787 0.559 11 24 "[*-****** *+**** ***2***** * *3]"
1 55 LEU 4.372 0.228 4 0 "[ . 1 . 2 . 3]"
1 56 ASP 8.579 0.411 4 0 "[ . 1 . 2 . 3]"
1 57 SER 0.163 0.037 19 0 "[ . 1 . 2 . 3]"
1 58 ALA 19.043 1.194 25 4 "[ . 1* . 2 +- *3]"
1 59 LYS 8.898 1.194 25 4 "[ . 1* . 2 +- *3]"
1 60 GLY 4.413 0.196 25 0 "[ . 1 . 2 . 3]"
1 61 ARG 78.666 1.425 23 30 [**********************+******-]
1 62 GLN 52.644 1.147 5 30 [****+****-********************]
1 63 ILE 127.309 1.404 11 30 [**********+***********-*******]
1 64 GLU 106.370 1.130 11 30 [*-********+*******************]
1 65 VAL 105.015 1.392 19 30 [*********-********+***********]
1 66 GLU 173.090 2.105 6 30 [*****+*****************-******]
1 67 ALA 111.641 2.206 19 30 [***************-**+***********]
1 68 THR 127.988 2.206 19 30 [***************-**+***********]
1 69 GLY 66.871 1.065 1 30 [+*****************************]
1 70 PRO 15.245 0.340 30 0 "[ . 1 . 2 . 3]"
1 71 GLN 84.145 1.175 6 30 [*-***+************************]
1 72 GLU 66.165 0.995 28 30 [-**************************+**]
1 73 GLU 98.217 2.376 17 30 [*****-**********+*************]
1 74 GLU 80.414 1.387 26 30 [*****-*******************+****]
1 75 ALA 128.217 2.444 2 30 [*+********************-*******]
1 76 LEU 73.033 1.387 26 30 [*******-*****************+****]
1 77 ALA 54.966 1.059 20 30 [*******************+****-*****]
1 78 ALA 46.888 1.071 27 30 [***-**********************+***]
1 79 VAL 60.205 0.798 15 30 [***-**********+***************]
1 80 ILE 98.619 1.071 27 30 [***********************-**+***]
1 81 ALA 53.759 0.635 16 30 [***************+*******-******]
1 82 LEU 5.038 0.370 24 0 "[ . 1 . 2 . 3]"
1 83 PHE 21.049 0.616 18 4 "[ *. 1 - * + 2 . 3]"
1 84 ASN 20.010 0.437 5 0 "[ . 1 . 2 . 3]"
1 85 SER 19.048 0.437 5 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HB 1 3 VAL H 3.000 . 3.500 3.294 3.147 3.389 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 2 THR MG 1 3 VAL H 2.500 . 3.400 2.486 2.438 2.563 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 2 THR HA 1 3 VAL H 2.500 . 2.900 2.301 2.260 2.333 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 2 THR HB 1 4 LYS H 3.000 . 3.500 5.155 5.118 5.254 1.754 17 30 [****-***********+*************] 2
5 1 2 THR HA 1 67 ALA H 4.000 . 5.000 4.970 4.887 5.047 0.047 30 0 "[ . 1 . 2 . 3]" 2
6 1 3 VAL H 1 3 VAL HB 3.000 . 3.500 3.684 3.616 3.744 0.244 1 0 "[ . 1 . 2 . 3]" 2
7 1 3 VAL H 1 3 VAL MG1 3.000 . 4.000 3.414 3.320 3.518 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 3 VAL H 1 3 VAL MG2 2.500 . 3.400 1.969 1.934 2.006 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 3 VAL MG1 1 4 LYS H 3.000 . 4.000 3.373 3.245 3.493 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 3 VAL HB 1 4 LYS H 2.500 . 2.900 3.053 2.955 3.100 0.200 16 0 "[ . 1 . 2 . 3]" 2
11 1 3 VAL HA 1 4 LYS H 2.500 . 2.900 2.072 2.020 2.107 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 3 VAL H 1 5 GLN QG 4.000 . 5.500 6.069 6.033 6.108 0.608 17 30 [****************+***-*********] 2
13 1 3 VAL H 1 66 GLU QG 3.000 . 4.000 3.501 3.454 3.528 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 3 VAL H 1 66 GLU QB 3.000 . 4.000 5.401 5.340 5.437 1.437 17 30 [***********-****+*************] 2
15 1 3 VAL HA 1 67 ALA H 4.000 . 6.000 4.534 4.487 4.581 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 3 VAL H 1 67 ALA HA 4.000 . 5.000 4.785 4.715 4.826 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 3 VAL MG1 1 67 ALA H 4.000 . 5.500 4.792 4.751 4.842 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 3 VAL H 1 67 ALA H 2.500 . 2.900 2.958 2.916 3.032 0.132 19 0 "[ . 1 . 2 . 3]" 2
19 1 3 VAL H 1 68 THR HA 3.000 . 3.500 3.648 3.614 3.710 0.210 13 0 "[ . 1 . 2 . 3]" 2
20 1 4 LYS H 1 4 LYS HB3 3.000 . 3.500 3.416 3.304 3.504 0.004 19 0 "[ . 1 . 2 . 3]" 2
21 1 4 LYS H 1 4 LYS HB2 3.000 . 3.500 3.831 3.786 3.877 0.377 5 0 "[ . 1 . 2 . 3]" 2
22 1 4 LYS H 1 4 LYS QG 3.000 . 4.000 2.482 2.064 3.241 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 4 LYS H 1 5 GLN HA 3.000 . 3.500 4.711 4.670 4.785 1.285 6 30 [*****+****************-*******] 2
24 1 4 LYS QG 1 5 GLN H 3.000 . 4.000 4.083 3.962 4.156 0.156 9 0 "[ . 1 . 2 . 3]" 2
25 1 4 LYS H 1 5 GLN QB 3.000 . 3.500 5.075 5.038 5.128 1.628 7 30 [******+*******************-***] 2
26 1 4 LYS HB2 1 5 GLN H 3.000 . 3.500 3.043 2.948 3.114 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 4 LYS HA 1 5 GLN H 2.500 . 2.900 2.122 2.090 2.142 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 4 LYS HB2 1 65 VAL H 4.000 . 5.000 4.762 4.613 4.839 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 4 LYS HA 1 65 VAL H 4.000 . 5.000 4.556 4.471 4.643 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 4 LYS H 1 66 GLU HA 4.000 . 5.000 4.217 4.143 4.284 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 4 LYS HA 1 66 GLU H 4.000 . 5.000 4.140 4.046 4.253 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 4 LYS HB2 1 67 ALA H 4.000 . 5.000 4.999 4.790 5.085 0.085 14 0 "[ . 1 . 2 . 3]" 2
33 1 4 LYS H 1 67 ALA H 3.000 . 3.500 4.549 4.506 4.599 1.099 7 30 [******+********-**************] 2
34 1 4 LYS H 1 76 LEU QD 3.000 . 3.500 3.165 2.940 3.626 0.126 13 0 "[ . 1 . 2 . 3]" 2
35 1 5 GLN H 1 5 GLN QG 3.000 . 4.000 2.587 2.543 2.649 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 5 GLN H 1 5 GLN QB 2.500 . 2.900 2.844 2.825 2.863 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 5 GLN QB 1 6 THR H 3.000 . 3.500 2.669 2.629 2.708 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 5 GLN QG 1 6 THR H 2.500 . 3.400 4.191 4.156 4.220 0.820 6 30 [*****+******************-*****] 2
39 1 5 GLN H 1 64 GLU HA 4.000 . 5.000 4.280 4.133 4.416 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 5 GLN QB 1 65 VAL H 3.000 . 3.500 3.661 3.630 3.692 0.192 24 0 "[ . 1 . 2 . 3]" 2
41 1 5 GLN HA 1 65 VAL H 3.000 . 3.500 4.364 4.296 4.424 0.924 19 30 [*****-************+***********] 2
42 1 5 GLN H 1 65 VAL H 2.500 . 2.900 2.769 2.681 2.866 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 5 GLN H 1 65 VAL QG 2.500 . 2.900 1.505 1.343 1.601 0.457 12 0 "[ . 1 . 2 . 3]" 2
44 1 5 GLN H 1 66 GLU HA 3.000 . 3.500 3.575 3.511 3.641 0.141 10 0 "[ . 1 . 2 . 3]" 2
45 1 5 GLN HE21 1 80 ILE MD 4.000 . 5.500 2.083 1.684 2.425 0.116 7 0 "[ . 1 . 2 . 3]" 2
46 1 5 GLN HE22 1 80 ILE MD 4.000 . 5.500 2.181 1.963 2.437 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 5 GLN HE21 1 80 ILE MG 4.000 . 5.500 3.554 3.276 3.739 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 5 GLN HE22 1 80 ILE MG 3.000 . 3.800 2.832 2.770 2.917 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 6 THR H 1 6 THR MG 3.000 . 4.000 3.751 3.629 3.778 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 6 THR H 1 6 THR HB 2.500 . 2.900 2.782 2.687 2.982 0.082 10 0 "[ . 1 . 2 . 3]" 2
51 1 6 THR H 1 7 VAL H 4.000 . 5.000 4.180 4.117 4.249 . 0 0 "[ . 1 . 2 . 3]" 2
52 1 6 THR H 1 7 VAL QG 4.000 . 5.000 4.039 3.942 4.181 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 6 THR HB 1 7 VAL H 3.000 . 3.500 4.240 4.129 4.291 0.791 19 30 [*********-********+***********] 2
54 1 6 THR HA 1 7 VAL H 2.500 . 2.900 2.190 2.175 2.213 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 6 THR H 1 7 VAL HA 2.500 . 2.900 4.875 4.760 4.993 2.093 10 30 [*********+********-***********] 2
56 1 6 THR MG 1 62 GLN H 4.000 . 6.500 5.005 4.371 5.276 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 6 THR MG 1 62 GLN HE22 4.000 . 5.500 3.946 3.148 4.775 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 6 THR MG 1 62 GLN HE21 4.000 . 5.500 3.124 1.967 4.520 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 6 THR HA 1 64 GLU H 3.000 . 3.500 4.291 4.039 4.435 0.935 15 30 [***********-**+***************] 2
60 1 6 THR H 1 65 VAL HB 4.000 . 5.000 6.255 6.158 6.392 1.392 19 30 [************-*****+***********] 2
61 1 6 THR HA 1 65 VAL H 3.000 . 3.500 3.015 2.857 3.159 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 7 VAL H 1 7 VAL HB 3.000 . 3.500 2.891 2.412 2.976 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 7 VAL H 1 7 VAL QG 2.500 . 2.900 2.014 1.892 2.579 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 7 VAL H 1 8 GLU H 3.000 . 3.500 4.402 4.380 4.481 0.981 12 30 [*********-*+******************] 2
65 1 7 VAL QG 1 8 GLU H 2.500 . 2.900 2.942 2.661 3.043 0.143 21 0 "[ . 1 . 2 . 3]" 2
66 1 7 VAL HA 1 8 GLU H 2.500 . 2.900 2.143 2.127 2.161 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 7 VAL H 1 63 ILE HA 4.000 . 5.000 4.665 4.454 4.767 . 0 0 "[ . 1 . 2 . 3]" 2
68 1 7 VAL H 1 63 ILE QG . . 2.900 4.217 4.090 4.304 1.404 11 30 [**********+*****************-*] 2
69 1 7 VAL H 1 63 ILE HB 4.000 . 5.000 4.660 4.540 4.781 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 7 VAL H 1 63 ILE MD 4.000 . 5.500 5.449 5.355 5.508 0.008 18 0 "[ . 1 . 2 . 3]" 2
71 1 7 VAL H 1 64 GLU HA 3.000 . 3.500 3.418 3.299 3.556 0.056 12 0 "[ . 1 . 2 . 3]" 2
72 1 7 VAL H 1 65 VAL H 2.500 . 2.900 3.545 3.479 3.601 0.701 23 30 [*********-************+*******] 2
73 1 7 VAL QG 1 83 PHE H 3.000 . 3.500 3.846 3.691 4.116 0.616 18 4 "[ *. 1 - * + 2 . 3]" 2
74 1 7 VAL QG 1 84 ASN H 3.000 . 3.500 3.210 3.063 3.622 0.122 18 0 "[ . 1 . 2 . 3]" 2
75 1 7 VAL QG 1 85 SER H 4.000 . 5.000 4.518 4.444 4.679 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 8 GLU H 1 8 GLU HG2 3.000 . 3.500 3.391 2.671 3.669 0.169 1 0 "[ . 1 . 2 . 3]" 2
77 1 8 GLU H 1 8 GLU QB 2.500 . 3.400 2.484 2.270 2.658 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 8 GLU QB 1 9 ILE H 3.000 . 4.000 3.337 3.042 3.616 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 8 GLU HA 1 9 ILE H 2.500 . 2.900 2.201 2.170 2.235 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 8 GLU H 1 62 GLN HA 4.000 . 5.000 4.779 4.353 4.986 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 9 ILE H 1 9 ILE MD 3.000 . 4.000 3.221 2.229 3.849 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 9 ILE H 1 9 ILE MG 3.000 . 4.000 3.690 3.453 3.812 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 9 ILE H 1 9 ILE QG 2.500 . 3.400 1.705 1.399 2.176 0.401 2 0 "[ . 1 . 2 . 3]" 2
84 1 9 ILE H 1 9 ILE HB 2.500 . 2.900 3.065 2.842 3.346 0.446 17 0 "[ . 1 . 2 . 3]" 2
85 1 9 ILE MD 1 10 THR H 4.000 . 5.500 4.383 3.939 4.639 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 9 ILE HB 1 10 THR H 3.000 . 3.500 3.246 2.587 3.601 0.101 14 0 "[ . 1 . 2 . 3]" 2
87 1 9 ILE HA 1 10 THR H 3.000 . 3.500 2.219 2.106 2.390 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 9 ILE MD 1 11 ASN H 4.000 . 6.500 4.300 3.933 4.736 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 9 ILE MG 1 12 LYS H 4.000 . 6.500 1.889 1.411 3.765 0.389 18 0 "[ . 1 . 2 . 3]" 2
90 1 9 ILE QG 1 12 LYS H 4.000 . 5.500 4.501 3.677 4.991 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 9 ILE QG 1 59 LYS H 4.000 . 6.500 4.283 3.333 5.361 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 9 ILE MG 1 59 LYS H 4.000 . 5.500 4.226 3.437 4.606 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 9 ILE H 1 60 GLY HA2 4.000 . 6.000 4.785 3.915 5.986 . 0 0 "[ . 1 . 2 . 3]" 2
94 1 9 ILE QG 1 60 GLY H 4.000 . 6.500 3.649 2.326 4.928 . 0 0 "[ . 1 . 2 . 3]" 2
95 1 9 ILE MG 1 60 GLY H 4.000 . 5.500 3.980 3.216 4.570 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 9 ILE HB 1 60 GLY H 3.000 . 3.500 2.789 2.143 3.673 0.173 9 0 "[ . 1 . 2 . 3]" 2
97 1 9 ILE H 1 61 ARG QG 4.000 . 5.500 6.149 3.899 6.421 0.921 21 27 "[******** *****.*****+* -******]" 2
98 1 9 ILE MG 1 61 ARG H 4.000 . 5.500 5.347 4.702 5.496 . 0 0 "[ . 1 . 2 . 3]" 2
99 1 9 ILE QG 1 61 ARG H 4.000 . 5.500 3.775 3.056 4.399 . 0 0 "[ . 1 . 2 . 3]" 2
100 1 9 ILE H 1 61 ARG QB 4.000 . 5.000 5.124 4.765 5.450 0.450 9 0 "[ . 1 . 2 . 3]" 2
101 1 9 ILE H 1 62 GLN HA 3.000 . 3.500 2.703 2.101 3.153 . 0 0 "[ . 1 . 2 . 3]" 2
102 1 9 ILE MD 1 63 ILE H 4.000 . 5.500 3.132 2.426 3.908 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 9 ILE QG 1 63 ILE H 3.000 . 4.000 3.292 2.965 4.045 0.045 6 0 "[ . 1 . 2 . 3]" 2
104 1 10 THR H 1 10 THR MG 3.000 . 4.000 2.065 1.768 3.530 0.032 21 0 "[ . 1 . 2 . 3]" 2
105 1 10 THR H 1 10 THR HB 2.500 . 2.900 2.825 2.226 3.047 0.147 8 0 "[ . 1 . 2 . 3]" 2
106 1 10 THR HA 1 60 GLY H 4.000 . 5.000 4.975 4.176 5.123 0.123 15 0 "[ . 1 . 2 . 3]" 2
107 1 11 ASN QB 1 12 LYS H 3.000 . 4.000 3.605 1.734 3.959 0.066 24 0 "[ . 1 . 2 . 3]" 2
108 1 11 ASN HA 1 12 LYS H 2.500 . 2.900 2.825 2.118 3.385 0.485 24 0 "[ . 1 . 2 . 3]" 2
109 1 12 LYS H 1 12 LYS QG 3.000 . 4.000 2.931 1.693 3.922 0.107 24 0 "[ . 1 . 2 . 3]" 2
110 1 12 LYS H 1 12 LYS QB 3.000 . 4.000 2.802 2.205 3.504 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 12 LYS QG 1 13 LEU H 4.000 . 5.500 3.697 1.596 4.523 0.204 4 0 "[ . 1 . 2 . 3]" 2
112 1 12 LYS QB 1 13 LEU H 3.000 . 4.000 2.798 1.707 3.937 0.093 2 0 "[ . 1 . 2 . 3]" 2
113 1 12 LYS HG2 1 14 GLY H 4.000 . 6.000 4.540 1.792 5.787 0.008 3 0 "[ . 1 . 2 . 3]" 2
114 1 12 LYS HG3 1 14 GLY H 4.000 . 5.000 4.144 1.709 5.115 0.115 2 0 "[ . 1 . 2 . 3]" 2
115 1 12 LYS H 1 14 GLY H 3.000 . 3.500 4.342 2.670 4.722 1.222 15 27 "[*********1* **+******-*** ****]" 2
116 1 13 LEU H 1 13 LEU QD 3.000 . 3.500 3.896 2.962 4.168 0.668 14 11 "[ ** . - *1* +.* * * .** 3]" 2
117 1 13 LEU H 1 13 LEU QB 2.500 . 3.400 2.786 2.102 3.203 . 0 0 "[ . 1 . 2 . 3]" 2
118 1 13 LEU H 1 14 GLY HA3 4.000 . 6.000 5.247 4.153 6.176 0.176 21 0 "[ . 1 . 2 . 3]" 2
119 1 13 LEU QD 1 14 GLY H 4.000 . 5.000 4.120 2.908 4.520 . 0 0 "[ . 1 . 2 . 3]" 2
120 1 13 LEU QB 1 14 GLY H 3.000 . 4.000 3.612 2.991 3.968 . 0 0 "[ . 1 . 2 . 3]" 2
121 1 13 LEU HA 1 14 GLY H 3.000 . 3.500 3.062 2.211 3.447 . 0 0 "[ . 1 . 2 . 3]" 2
122 1 14 GLY H 1 15 MET H 3.000 . 3.500 2.622 2.387 3.163 . 0 0 "[ . 1 . 2 . 3]" 2
123 1 14 GLY QA 1 15 MET H 2.500 . 3.400 2.825 2.710 2.891 . 0 0 "[ . 1 . 2 . 3]" 2
124 1 15 MET H 1 15 MET QB 2.500 . 2.900 2.328 2.000 2.826 . 0 0 "[ . 1 . 2 . 3]" 2
125 1 16 HIS QB 1 17 ALA H 4.000 . 6.500 2.712 1.634 3.908 0.166 6 0 "[ . 1 . 2 . 3]" 2
126 1 16 HIS HA 1 17 ALA H 3.000 . 3.500 3.357 2.756 3.580 0.080 4 0 "[ . 1 . 2 . 3]" 2
127 1 17 ALA H 1 17 ALA MB 3.000 . 4.000 2.954 2.671 3.085 . 0 0 "[ . 1 . 2 . 3]" 2
128 1 19 PRO QB 1 21 MET H 3.000 . 3.500 4.553 4.250 4.852 1.352 21 30 [*************-******+*********] 2
129 1 20 ALA H 1 20 ALA MB 3.000 . 4.000 2.051 1.974 2.248 . 0 0 "[ . 1 . 2 . 3]" 2
130 1 20 ALA HA 1 21 MET H 3.000 . 3.500 3.459 3.291 3.532 0.032 25 0 "[ . 1 . 2 . 3]" 2
131 1 20 ALA MB 1 21 MET H 3.000 . 4.000 2.813 2.400 3.034 . 0 0 "[ . 1 . 2 . 3]" 2
132 1 21 MET H 1 21 MET HG3 3.000 . 3.500 2.626 1.768 3.748 0.248 24 0 "[ . 1 . 2 . 3]" 2
133 1 21 MET H 1 21 MET HG2 3.000 . 3.500 3.468 2.319 3.639 0.139 12 0 "[ . 1 . 2 . 3]" 2
134 1 21 MET H 1 21 MET QB 2.500 . 3.400 2.344 2.196 2.618 . 0 0 "[ . 1 . 2 . 3]" 2
135 1 21 MET H 1 52 LEU QD 4.000 . 5.500 3.693 3.236 4.180 . 0 0 "[ . 1 . 2 . 3]" 2
136 1 22 LYS HG2 1 23 LEU H 3.000 . 3.500 3.116 1.758 3.730 0.230 8 0 "[ . 1 . 2 . 3]" 2
137 1 22 LYS HA 1 23 LEU H 3.000 . 3.500 3.540 3.514 3.601 0.101 7 0 "[ . 1 . 2 . 3]" 2
138 1 23 LEU H 1 23 LEU QD 3.000 . 3.500 1.908 1.666 2.261 0.134 2 0 "[ . 1 . 2 . 3]" 2
139 1 23 LEU H 1 23 LEU QB 2.500 . 2.900 2.185 2.131 2.279 . 0 0 "[ . 1 . 2 . 3]" 2
140 1 23 LEU H 1 24 PHE QB 4.000 . 5.500 4.950 4.762 5.094 . 0 0 "[ . 1 . 2 . 3]" 2
141 1 23 LEU HA 1 24 PHE H 3.000 . 3.500 3.498 3.473 3.515 0.015 17 0 "[ . 1 . 2 . 3]" 2
142 1 23 LEU QD 1 24 PHE H 3.000 . 3.500 3.716 3.552 3.853 0.353 16 0 "[ . 1 . 2 . 3]" 2
143 1 23 LEU QB 1 24 PHE H . . 2.900 2.400 2.134 2.514 . 0 0 "[ . 1 . 2 . 3]" 2
144 1 23 LEU H 1 24 PHE H 2.500 . 2.900 2.862 2.774 3.013 0.113 13 0 "[ . 1 . 2 . 3]" 2
145 1 23 LEU HA 1 26 LEU H 2.500 . 2.900 3.914 3.776 4.024 1.124 28 30 [*******-*******************+**] 2
146 1 23 LEU QD 1 66 GLU H 3.000 . 3.500 5.392 5.112 5.605 2.105 6 30 [*****+***-********************] 2
147 1 23 LEU H 1 75 ALA MB 3.000 . 4.000 6.300 6.241 6.444 2.444 2 30 [*+*****************-**********] 2
148 1 23 LEU QD 1 76 LEU H 4.000 . 5.000 5.271 5.096 5.348 0.348 11 0 "[ . 1 . 2 . 3]" 2
149 1 23 LEU HG 1 79 VAL H 4.000 . 5.000 4.807 4.369 5.066 0.066 19 0 "[ . 1 . 2 . 3]" 2
150 1 24 PHE H 1 24 PHE QD 3.000 . 4.000 1.917 1.482 2.392 0.318 27 0 "[ . 1 . 2 . 3]" 2
151 1 24 PHE H 1 24 PHE QB 2.500 . 3.400 2.528 2.349 2.704 . 0 0 "[ . 1 . 2 . 3]" 2
152 1 24 PHE H 1 25 GLU QB 4.000 . 5.500 4.565 4.352 4.712 . 0 0 "[ . 1 . 2 . 3]" 2
153 1 24 PHE QD 1 25 GLU H 4.000 . 5.500 3.965 3.801 4.139 . 0 0 "[ . 1 . 2 . 3]" 2
154 1 24 PHE HA 1 25 GLU H 3.000 . 3.500 3.573 3.555 3.592 0.092 4 0 "[ . 1 . 2 . 3]" 2
155 1 24 PHE QB 1 25 GLU H 3.000 . 4.000 2.041 1.923 2.123 . 0 0 "[ . 1 . 2 . 3]" 2
156 1 24 PHE QB 1 26 LEU H 4.000 . 5.500 4.043 3.905 4.193 . 0 0 "[ . 1 . 2 . 3]" 2
157 1 24 PHE HA 1 26 LEU H 3.000 . 3.500 4.059 3.728 4.389 0.889 13 21 "[* * *** *-**+ **** ** **. ** *]" 2
158 1 24 PHE HA 1 27 MET H 3.000 . 3.500 3.139 2.715 3.444 . 0 0 "[ . 1 . 2 . 3]" 2
159 1 25 GLU H 1 25 GLU QG 3.000 . 4.000 2.838 2.072 3.775 . 0 0 "[ . 1 . 2 . 3]" 2
160 1 25 GLU H 1 25 GLU QB 2.500 . 3.400 2.289 2.080 2.477 . 0 0 "[ . 1 . 2 . 3]" 2
161 1 25 GLU QB 1 26 LEU H 2.500 . 3.400 2.888 2.734 3.005 . 0 0 "[ . 1 . 2 . 3]" 2
162 1 25 GLU HA 1 27 MET H 3.000 . 3.500 4.104 3.973 4.305 0.805 13 27 "[************+*.-******* **** *]" 2
163 1 25 GLU HA 1 28 GLN H 3.000 . 3.500 3.595 3.521 3.652 0.152 19 0 "[ . 1 . 2 . 3]" 2
164 1 25 GLU H 1 52 LEU QD 4.000 . 5.500 6.285 5.749 6.885 1.385 8 20 "[*-*** *+** * *. ***** *** *3]" 2
165 1 26 LEU H 1 26 LEU QD 3.000 . 3.500 3.344 3.119 3.604 0.104 1 0 "[ . 1 . 2 . 3]" 2
166 1 26 LEU H 1 26 LEU QB 2.500 . 3.400 2.216 2.147 2.324 . 0 0 "[ . 1 . 2 . 3]" 2
167 1 26 LEU H 1 27 MET QG 4.000 . 5.500 4.665 4.408 4.889 . 0 0 "[ . 1 . 2 . 3]" 2
168 1 26 LEU HB2 1 27 MET H 4.000 . 5.000 4.119 3.928 4.229 . 0 0 "[ . 1 . 2 . 3]" 2
169 1 26 LEU QD 1 27 MET H 3.000 . 3.500 2.735 2.302 3.352 . 0 0 "[ . 1 . 2 . 3]" 2
170 1 26 LEU HA 1 27 MET H 3.000 . 3.500 3.471 3.430 3.502 0.002 22 0 "[ . 1 . 2 . 3]" 2
171 1 26 LEU HB3 1 27 MET H 2.500 . 2.900 2.967 2.725 3.045 0.145 29 0 "[ . 1 . 2 . 3]" 2
172 1 26 LEU QB 1 28 GLN H 4.000 . 5.500 4.551 4.412 4.610 . 0 0 "[ . 1 . 2 . 3]" 2
173 1 26 LEU HA 1 28 GLN H 3.000 . 3.500 3.569 3.525 3.623 0.123 13 0 "[ . 1 . 2 . 3]" 2
174 1 26 LEU H 1 28 GLN H 2.500 . 2.900 3.768 3.702 3.887 0.987 18 30 [*****************+******-*****] 2
175 1 26 LEU QD 1 73 GLU H 4.000 . 5.000 6.970 6.660 7.376 2.376 17 30 [****************+****-********] 2
176 1 27 MET H 1 27 MET QG 2.500 . 3.400 2.972 2.570 3.143 . 0 0 "[ . 1 . 2 . 3]" 2
177 1 27 MET H 1 27 MET QB 2.500 . 3.400 2.188 2.104 2.331 . 0 0 "[ . 1 . 2 . 3]" 2
178 1 27 MET QG 1 28 GLN H 4.000 . 5.500 3.525 2.076 4.509 . 0 0 "[ . 1 . 2 . 3]" 2
179 1 27 MET HA 1 28 GLN H 3.000 . 3.500 3.478 3.452 3.498 . 0 0 "[ . 1 . 2 . 3]" 2
180 1 27 MET H 1 28 GLN H 2.500 . 2.900 2.538 2.429 2.609 . 0 0 "[ . 1 . 2 . 3]" 2
181 1 27 MET HA 1 29 GLY H 4.000 . 5.000 3.496 3.246 3.687 . 0 0 "[ . 1 . 2 . 3]" 2
182 1 27 MET H 1 29 GLY H 3.000 . 3.500 3.664 3.625 3.707 0.207 1 0 "[ . 1 . 2 . 3]" 2
183 1 27 MET HA 1 30 PHE H 4.000 . 5.000 2.955 2.510 3.432 . 0 0 "[ . 1 . 2 . 3]" 2
184 1 27 MET HA 1 34 VAL H 4.000 . 6.000 6.082 5.888 6.217 0.217 5 0 "[ . 1 . 2 . 3]" 2
185 1 28 GLN H 1 28 GLN QG 2.500 . 3.400 2.984 1.849 3.726 0.326 28 0 "[ . 1 . 2 . 3]" 2
186 1 28 GLN H 1 28 GLN QB 2.500 . 3.400 2.241 2.053 2.587 . 0 0 "[ . 1 . 2 . 3]" 2
187 1 28 GLN QG 1 29 GLY H 4.000 . 5.500 3.753 2.512 4.770 . 0 0 "[ . 1 . 2 . 3]" 2
188 1 28 GLN HA 1 29 GLY H 3.000 . 3.500 3.376 3.330 3.413 . 0 0 "[ . 1 . 2 . 3]" 2
189 1 28 GLN QB 1 29 GLY H 3.000 . 4.000 3.201 2.985 3.625 . 0 0 "[ . 1 . 2 . 3]" 2
190 1 28 GLN HA 1 30 PHE H 4.000 . 5.000 4.827 4.621 5.035 0.035 22 0 "[ . 1 . 2 . 3]" 2
191 1 29 GLY H 1 30 PHE QB 4.000 . 6.500 4.627 4.314 4.808 . 0 0 "[ . 1 . 2 . 3]" 2
192 1 29 GLY HA3 1 30 PHE H 3.000 . 3.500 2.701 2.631 2.823 . 0 0 "[ . 1 . 2 . 3]" 2
193 1 29 GLY HA2 1 30 PHE H 3.000 . 3.500 3.555 3.534 3.572 0.072 19 0 "[ . 1 . 2 . 3]" 2
194 1 30 PHE H 1 30 PHE QD 3.000 . 4.000 3.368 2.548 3.532 . 0 0 "[ . 1 . 2 . 3]" 2
195 1 30 PHE H 1 30 PHE QB 3.000 . 4.000 2.598 2.484 2.662 . 0 0 "[ . 1 . 2 . 3]" 2
196 1 30 PHE H 1 31 ASP H 4.000 . 5.000 4.485 4.419 4.544 . 0 0 "[ . 1 . 2 . 3]" 2
197 1 30 PHE QB 1 31 ASP H 3.000 . 4.000 2.885 2.571 3.136 . 0 0 "[ . 1 . 2 . 3]" 2
198 1 30 PHE HA 1 31 ASP H 2.500 . 2.900 2.249 2.207 2.353 . 0 0 "[ . 1 . 2 . 3]" 2
199 1 30 PHE QB 1 32 ALA H 3.000 . 4.000 4.085 3.986 4.188 0.188 20 0 "[ . 1 . 2 . 3]" 2
200 1 30 PHE QB 1 74 GLU H 4.000 . 5.500 4.882 4.780 5.010 . 0 0 "[ . 1 . 2 . 3]" 2
201 1 30 PHE QB 1 75 ALA H 4.000 . 5.500 3.408 3.325 3.764 . 0 0 "[ . 1 . 2 . 3]" 2
202 1 30 PHE QD 1 75 ALA H 4.000 . 5.500 3.067 1.894 3.436 . 0 0 "[ . 1 . 2 . 3]" 2
203 1 30 PHE QE 1 75 ALA H 3.000 . 4.000 3.779 2.707 4.071 0.071 27 0 "[ . 1 . 2 . 3]" 2
204 1 31 ASP H 1 31 ASP QB 2.500 . 2.900 2.350 2.285 2.423 . 0 0 "[ . 1 . 2 . 3]" 2
205 1 31 ASP H 1 32 ALA HA 4.000 . 5.000 5.291 5.214 5.367 0.367 17 0 "[ . 1 . 2 . 3]" 2
206 1 31 ASP H 1 32 ALA MB 4.000 . 5.500 3.929 3.832 4.017 . 0 0 "[ . 1 . 2 . 3]" 2
207 1 31 ASP QB 1 32 ALA H . . 3.500 3.972 3.941 3.985 0.485 1 0 "[ . 1 . 2 . 3]" 2
208 1 31 ASP H 1 32 ALA H 4.000 . 5.000 4.115 3.996 4.154 . 0 0 "[ . 1 . 2 . 3]" 2
209 1 31 ASP HA 1 32 ALA H 2.500 . 2.900 2.185 2.173 2.192 . 0 0 "[ . 1 . 2 . 3]" 2
210 1 31 ASP H 1 70 PRO HB2 4.000 . 5.000 3.199 3.048 3.471 . 0 0 "[ . 1 . 2 . 3]" 2
211 1 31 ASP H 1 71 GLN HA 4.000 . 5.000 4.812 4.620 5.002 0.002 10 0 "[ . 1 . 2 . 3]" 2
212 1 31 ASP H 1 71 GLN H 4.000 . 5.000 2.770 2.650 2.915 . 0 0 "[ . 1 . 2 . 3]" 2
213 1 31 ASP HA 1 71 GLN H 3.000 . 3.500 4.629 4.595 4.675 1.175 6 30 [*****+******-*****************] 2
214 1 31 ASP QB 1 71 GLN H 3.000 . 3.500 2.984 2.899 3.078 . 0 0 "[ . 1 . 2 . 3]" 2
215 1 31 ASP H 1 71 GLN HE22 3.000 . 3.500 3.477 3.078 3.538 0.038 20 0 "[ . 1 . 2 . 3]" 2
216 1 31 ASP H 1 71 GLN QB 3.000 . 4.000 2.127 1.759 2.379 0.041 13 0 "[ . 1 . 2 . 3]" 2
217 1 31 ASP H 1 75 ALA MB 4.000 . 6.500 5.000 4.743 5.203 . 0 0 "[ . 1 . 2 . 3]" 2
218 1 32 ALA H 1 32 ALA MB 2.500 . 3.400 2.734 2.714 2.757 . 0 0 "[ . 1 . 2 . 3]" 2
219 1 32 ALA H 1 33 GLU HB2 4.000 . 5.000 5.291 5.241 5.328 0.328 9 0 "[ . 1 . 2 . 3]" 2
220 1 32 ALA H 1 33 GLU H 4.000 . 5.000 4.188 4.152 4.254 . 0 0 "[ . 1 . 2 . 3]" 2
221 1 32 ALA MB 1 33 GLU H 2.500 . 3.400 2.639 2.424 2.719 . 0 0 "[ . 1 . 2 . 3]" 2
222 1 32 ALA HA 1 33 GLU H 2.500 . 2.900 2.228 2.184 2.336 . 0 0 "[ . 1 . 2 . 3]" 2
223 1 32 ALA HA 1 34 VAL H 4.000 . 5.000 5.166 5.118 5.224 0.224 20 0 "[ . 1 . 2 . 3]" 2
224 1 32 ALA H 1 34 VAL H 3.000 . 3.500 5.106 5.060 5.159 1.659 2 30 [*+******-*********************] 2
225 1 32 ALA HA 1 68 THR H 4.000 . 5.000 3.568 3.460 3.675 . 0 0 "[ . 1 . 2 . 3]" 2
226 1 32 ALA MB 1 69 GLY H 3.000 . 4.000 3.135 3.087 3.201 . 0 0 "[ . 1 . 2 . 3]" 2
227 1 32 ALA HA 1 69 GLY H 3.000 . 3.500 3.672 3.629 3.712 0.212 17 0 "[ . 1 . 2 . 3]" 2
228 1 32 ALA HA 1 71 GLN H 4.000 . 5.000 4.453 4.213 4.568 . 0 0 "[ . 1 . 2 . 3]" 2
229 1 32 ALA MB 1 71 GLN H 3.000 . 4.000 3.111 3.021 3.151 . 0 0 "[ . 1 . 2 . 3]" 2
230 1 32 ALA HA 1 72 GLU H 4.000 . 5.000 4.640 4.571 4.718 . 0 0 "[ . 1 . 2 . 3]" 2
231 1 32 ALA MB 1 72 GLU H 3.000 . 4.000 2.569 2.491 2.651 . 0 0 "[ . 1 . 2 . 3]" 2
232 1 32 ALA MB 1 73 GLU H 3.000 . 4.000 4.209 4.163 4.234 0.234 25 0 "[ . 1 . 2 . 3]" 2
233 1 32 ALA H 1 75 ALA MB 4.000 . 5.500 4.678 4.647 4.746 . 0 0 "[ . 1 . 2 . 3]" 2
234 1 32 ALA MB 1 75 ALA H 3.000 . 4.000 4.223 4.152 4.273 0.273 19 0 "[ . 1 . 2 . 3]" 2
235 1 33 GLU H 1 33 GLU QG 3.000 . 4.000 3.792 3.754 3.864 . 0 0 "[ . 1 . 2 . 3]" 2
236 1 33 GLU H 1 33 GLU HB3 2.500 . 2.900 2.970 2.940 2.997 0.097 2 0 "[ . 1 . 2 . 3]" 2
237 1 33 GLU H 1 33 GLU HB2 2.500 . 2.900 2.260 2.201 2.396 . 0 0 "[ . 1 . 2 . 3]" 2
238 1 33 GLU QG 1 34 VAL H 3.000 . 4.000 3.659 3.618 3.709 . 0 0 "[ . 1 . 2 . 3]" 2
239 1 33 GLU QB 1 34 VAL H 3.000 . 4.000 3.863 3.849 3.879 . 0 0 "[ . 1 . 2 . 3]" 2
240 1 33 GLU HA 1 34 VAL H 2.500 . 2.900 2.170 2.146 2.191 . 0 0 "[ . 1 . 2 . 3]" 2
241 1 33 GLU H 1 67 ALA HA 4.000 . 5.000 3.887 3.746 4.030 . 0 0 "[ . 1 . 2 . 3]" 2
242 1 33 GLU H 1 67 ALA MB 3.000 . 4.000 3.872 3.697 3.982 . 0 0 "[ . 1 . 2 . 3]" 2
243 1 33 GLU H 1 68 THR HA 4.000 . 5.000 4.013 3.850 4.145 . 0 0 "[ . 1 . 2 . 3]" 2
244 1 33 GLU H 1 68 THR HB 3.000 . 3.500 3.162 2.957 3.324 . 0 0 "[ . 1 . 2 . 3]" 2
245 1 33 GLU HB2 1 68 THR H 3.000 . 3.500 3.632 3.592 3.658 0.158 2 0 "[ . 1 . 2 . 3]" 2
246 1 33 GLU H 1 69 GLY H 4.000 . 5.000 4.138 4.032 4.212 . 0 0 "[ . 1 . 2 . 3]" 2
247 1 33 GLU H 1 69 GLY HA2 4.000 . 5.000 4.588 4.521 4.645 . 0 0 "[ . 1 . 2 . 3]" 2
248 1 33 GLU H 1 69 GLY HA3 3.000 . 3.500 3.541 3.500 3.572 0.072 21 0 "[ . 1 . 2 . 3]" 2
249 1 33 GLU H 1 72 GLU QB 4.000 . 5.000 3.484 3.161 3.603 . 0 0 "[ . 1 . 2 . 3]" 2
250 1 33 GLU H 1 72 GLU HA 4.000 . 5.000 4.767 4.527 4.856 . 0 0 "[ . 1 . 2 . 3]" 2
251 1 33 GLU H 1 75 ALA MB 4.000 . 5.500 5.504 5.443 5.595 0.095 27 0 "[ . 1 . 2 . 3]" 2
252 1 34 VAL H 1 34 VAL QG 2.500 . 2.900 1.956 1.802 2.182 . 0 0 "[ . 1 . 2 . 3]" 2
253 1 34 VAL H 1 34 VAL HB 2.500 . 2.900 2.956 2.657 3.610 0.710 30 6 "[ * . 1 . *2 * - * +]" 2
254 1 34 VAL H 1 35 LEU HA 4.000 . 5.000 5.235 5.101 5.288 0.288 24 0 "[ . 1 . 2 . 3]" 2
255 1 34 VAL H 1 35 LEU H 4.000 . 5.000 4.474 4.346 4.555 . 0 0 "[ . 1 . 2 . 3]" 2
256 1 34 VAL HA 1 35 LEU H 2.500 . 2.900 2.158 2.070 2.193 . 0 0 "[ . 1 . 2 . 3]" 2
257 1 34 VAL H 1 46 ALA MB 3.000 . 4.000 3.166 2.904 3.341 . 0 0 "[ . 1 . 2 . 3]" 2
258 1 34 VAL QG 1 46 ALA H 3.000 . 3.500 4.094 3.590 4.362 0.862 4 22 "[* +**** ********- *** *.* **3]" 2
259 1 34 VAL HA 1 66 GLU H 4.000 . 5.000 4.032 3.708 4.231 . 0 0 "[ . 1 . 2 . 3]" 2
260 1 34 VAL H 1 67 ALA HA 4.000 . 5.000 3.747 3.468 3.866 . 0 0 "[ . 1 . 2 . 3]" 2
261 1 34 VAL HA 1 67 ALA H 4.000 . 5.000 3.979 3.698 4.143 . 0 0 "[ . 1 . 2 . 3]" 2
262 1 34 VAL QG 1 67 ALA H 3.000 . 3.500 3.970 3.777 4.192 0.692 27 8 "[ * . *1 .- *2 * * + *]" 2
263 1 34 VAL HA 1 68 THR H 3.000 . 3.500 3.672 3.602 3.725 0.225 16 0 "[ . 1 . 2 . 3]" 2
264 1 34 VAL QG 1 68 THR H 3.000 . 3.500 3.601 2.903 3.872 0.372 6 0 "[ . 1 . 2 . 3]" 2
265 1 35 LEU H 1 35 LEU HB2 3.000 . 3.500 3.159 2.353 3.550 0.050 30 0 "[ . 1 . 2 . 3]" 2
266 1 35 LEU H 1 35 LEU HB3 2.500 . 2.900 2.473 2.191 3.115 0.215 14 0 "[ . 1 . 2 . 3]" 2
267 1 35 LEU H 1 35 LEU QD 2.500 . 2.900 3.511 3.207 3.783 0.883 14 23 "[* ***** *1***+******* *.* -**]" 2
268 1 35 LEU H 1 36 LEU QD 4.000 . 5.500 3.413 3.255 3.683 . 0 0 "[ . 1 . 2 . 3]" 2
269 1 35 LEU H 1 36 LEU H 4.000 . 5.000 4.359 4.192 4.487 . 0 0 "[ . 1 . 2 . 3]" 2
270 1 35 LEU QB 1 36 LEU H 3.000 . 4.000 3.701 3.385 3.805 . 0 0 "[ . 1 . 2 . 3]" 2
271 1 35 LEU HA 1 36 LEU H 2.500 . 2.900 2.135 2.083 2.185 . 0 0 "[ . 1 . 2 . 3]" 2
272 1 35 LEU HG 1 44 ALA H 4.000 . 5.000 4.661 3.128 6.008 1.008 14 2 "[ .- 1 +. 2 . 3]" 2
273 1 35 LEU QD 1 44 ALA H 4.000 . 5.000 2.680 2.188 3.212 . 0 0 "[ . 1 . 2 . 3]" 2
274 1 35 LEU QD 1 45 GLU H 4.000 . 5.000 3.968 3.547 4.516 . 0 0 "[ . 1 . 2 . 3]" 2
275 1 35 LEU HA 1 46 ALA H 3.000 . 3.500 2.374 1.999 2.810 . 0 0 "[ . 1 . 2 . 3]" 2
276 1 35 LEU H 1 66 GLU HA 4.000 . 5.000 4.153 3.961 4.340 . 0 0 "[ . 1 . 2 . 3]" 2
277 1 35 LEU H 1 66 GLU QB 3.000 . 4.000 3.139 2.784 3.314 . 0 0 "[ . 1 . 2 . 3]" 2
278 1 35 LEU H 1 66 GLU QG 3.000 . 4.000 3.545 3.435 3.649 . 0 0 "[ . 1 . 2 . 3]" 2
279 1 35 LEU HB3 1 66 GLU H 3.000 . 3.500 3.563 2.828 4.298 0.798 30 3 "[ . * . 2 - . +]" 2
280 1 35 LEU H 1 66 GLU H 3.000 . 3.500 2.586 2.298 2.813 . 0 0 "[ . 1 . 2 . 3]" 2
281 1 35 LEU QD 1 66 GLU H 2.500 . 2.900 3.397 2.958 3.987 1.087 19 11 "[* * ** -** *. +2 *. *]" 2
282 1 35 LEU H 1 67 ALA MB 4.000 . 5.500 3.906 3.668 4.370 . 0 0 "[ . 1 . 2 . 3]" 2
283 1 35 LEU H 1 67 ALA HA 3.000 . 3.500 3.097 2.893 3.454 . 0 0 "[ . 1 . 2 . 3]" 2
284 1 36 LEU H 1 36 LEU QD 3.000 . 4.000 2.247 2.103 2.412 . 0 0 "[ . 1 . 2 . 3]" 2
285 1 36 LEU H 1 36 LEU QB . . 2.900 2.221 2.160 2.268 . 0 0 "[ . 1 . 2 . 3]" 2
286 1 36 LEU QD 1 37 ARG H 3.000 . 4.000 4.035 3.919 4.144 0.144 15 0 "[ . 1 . 2 . 3]" 2
287 1 36 LEU HA 1 37 ARG H 2.500 . 2.900 2.208 2.169 2.253 . 0 0 "[ . 1 . 2 . 3]" 2
288 1 36 LEU QD 1 44 ALA H 4.000 . 6.500 4.702 4.524 4.808 . 0 0 "[ . 1 . 2 . 3]" 2
289 1 36 LEU QB 1 44 ALA H . . 3.500 3.592 3.471 3.675 0.175 9 0 "[ . 1 . 2 . 3]" 2
290 1 36 LEU H 1 44 ALA MB 3.000 . 4.000 3.430 3.211 3.612 . 0 0 "[ . 1 . 2 . 3]" 2
291 1 36 LEU H 1 44 ALA H 2.500 . 2.900 3.576 3.269 3.788 0.888 10 28 "[* *******+******-* ***********]" 2
292 1 36 LEU H 1 45 GLU HA 3.000 . 3.500 3.125 2.836 3.427 . 0 0 "[ . 1 . 2 . 3]" 2
293 1 36 LEU QB 1 46 ALA H 4.000 . 5.000 3.888 3.592 4.124 . 0 0 "[ . 1 . 2 . 3]" 2
294 1 36 LEU QD 1 46 ALA H 3.000 . 4.000 2.899 2.679 3.019 . 0 0 "[ . 1 . 2 . 3]" 2
295 1 36 LEU H 1 65 VAL HA 4.000 . 5.000 5.035 4.900 5.426 0.426 10 0 "[ . 1 . 2 . 3]" 2
296 1 36 LEU QB 1 66 GLU H 4.000 . 5.000 5.464 5.344 5.549 0.549 27 9 "[** . * 1 *. *2 -* + *]" 2
297 1 37 ARG H 1 37 ARG QD 4.000 . 5.500 3.950 2.389 4.475 . 0 0 "[ . 1 . 2 . 3]" 2
298 1 37 ARG H 1 37 ARG QB 3.000 . 3.500 3.150 3.056 3.274 . 0 0 "[ . 1 . 2 . 3]" 2
299 1 37 ARG H 1 37 ARG QG . . 2.900 2.269 2.066 2.908 0.008 10 0 "[ . 1 . 2 . 3]" 2
300 1 37 ARG QD 1 38 ASN H 4.000 . 6.500 4.640 2.874 5.347 . 0 0 "[ . 1 . 2 . 3]" 2
301 1 37 ARG H 1 38 ASN HA 4.000 . 5.000 4.710 4.608 4.780 . 0 0 "[ . 1 . 2 . 3]" 2
302 1 37 ARG H 1 38 ASN H 3.000 . 3.500 4.341 4.300 4.389 0.889 24 30 [**********-************+******] 2
303 1 37 ARG QG 1 38 ASN H 3.000 . 3.500 3.663 3.334 4.252 0.752 19 2 "[ . 1 -. +2 . 3]" 2
304 1 37 ARG QB 1 38 ASN H 3.000 . 3.500 2.441 2.321 2.674 . 0 0 "[ . 1 . 2 . 3]" 2
305 1 37 ARG HA 1 38 ASN H 2.500 . 2.900 2.306 2.208 2.351 . 0 0 "[ . 1 . 2 . 3]" 2
306 1 37 ARG QG 1 41 GLY H 4.000 . 6.000 5.390 4.696 6.323 0.323 19 0 "[ . 1 . 2 . 3]" 2
307 1 37 ARG QB 1 41 GLY H 4.000 . 5.500 4.537 4.177 4.704 . 0 0 "[ . 1 . 2 . 3]" 2
308 1 37 ARG HA 1 42 THR H 4.000 . 6.000 5.144 4.969 5.335 . 0 0 "[ . 1 . 2 . 3]" 2
309 1 37 ARG HA 1 43 GLU H 4.000 . 5.000 4.457 4.325 4.612 . 0 0 "[ . 1 . 2 . 3]" 2
310 1 37 ARG QB 1 43 GLU H 4.000 . 5.000 4.156 3.601 4.293 . 0 0 "[ . 1 . 2 . 3]" 2
311 1 37 ARG H 1 44 ALA MB 4.000 . 5.500 4.550 4.469 4.638 . 0 0 "[ . 1 . 2 . 3]" 2
312 1 37 ARG HA 1 44 ALA H 3.000 . 3.500 2.737 2.569 3.098 . 0 0 "[ . 1 . 2 . 3]" 2
313 1 37 ARG H 1 63 ILE QG 4.000 . 5.000 2.260 2.110 2.395 . 0 0 "[ . 1 . 2 . 3]" 2
314 1 37 ARG H 1 63 ILE HA 3.000 . 3.500 4.163 4.065 4.257 0.757 10 30 [*****-***+********************] 2
315 1 37 ARG HA 1 64 GLU H 4.000 . 6.000 4.371 4.217 4.593 . 0 0 "[ . 1 . 2 . 3]" 2
316 1 37 ARG H 1 64 GLU HA 4.000 . 5.000 4.786 4.665 5.049 0.049 10 0 "[ . 1 . 2 . 3]" 2
317 1 37 ARG H 1 64 GLU QB 3.000 . 4.000 3.692 3.572 3.868 . 0 0 "[ . 1 . 2 . 3]" 2
318 1 37 ARG H 1 64 GLU H 2.500 . 2.900 2.695 2.568 2.942 0.042 10 0 "[ . 1 . 2 . 3]" 2
319 1 38 ASN H 1 38 ASN HB3 3.000 . 3.500 3.676 3.643 3.724 0.224 11 0 "[ . 1 . 2 . 3]" 2
320 1 38 ASN HB3 1 38 ASN HD21 3.000 . 3.300 2.891 2.643 3.294 . 0 0 "[ . 1 . 2 . 3]" 2
321 1 38 ASN HB2 1 38 ASN HD21 3.000 . 3.300 2.322 2.179 2.493 . 0 0 "[ . 1 . 2 . 3]" 2
322 1 38 ASN H 1 38 ASN HB2 3.000 . 3.500 2.605 2.439 3.434 . 0 0 "[ . 1 . 2 . 3]" 2
323 1 38 ASN H 1 39 ASP H 3.000 . 3.500 4.472 4.414 4.506 1.006 16 30 [***************+********-*****] 2
324 1 38 ASN HA 1 39 ASP H 2.500 . 2.900 2.181 2.091 2.224 . 0 0 "[ . 1 . 2 . 3]" 2
325 1 38 ASN HB3 1 39 ASP H 2.500 . 2.900 3.026 2.966 3.145 0.245 21 0 "[ . 1 . 2 . 3]" 2
326 1 38 ASN HA 1 40 GLU H 4.000 . 6.000 3.419 3.339 3.642 . 0 0 "[ . 1 . 2 . 3]" 2
327 1 38 ASN H 1 40 GLU HB2 4.000 . 6.000 4.744 4.425 6.255 0.255 7 0 "[ . 1 . 2 . 3]" 2
328 1 38 ASN HD22 1 40 GLU QG 4.000 . 5.500 4.901 3.882 5.103 . 0 0 "[ . 1 . 2 . 3]" 2
329 1 38 ASN H 1 40 GLU H 4.000 . 5.000 4.216 4.023 4.309 . 0 0 "[ . 1 . 2 . 3]" 2
330 1 38 ASN HB3 1 40 GLU H 3.000 . 3.500 2.305 1.999 3.533 0.033 21 0 "[ . 1 . 2 . 3]" 2
331 1 38 ASN H 1 42 THR MG 4.000 . 6.500 2.645 1.732 3.982 0.068 14 0 "[ . 1 . 2 . 3]" 2
332 1 38 ASN HD22 1 42 THR MG 4.000 . 5.500 2.669 2.096 3.504 . 0 0 "[ . 1 . 2 . 3]" 2
333 1 38 ASN H 1 42 THR HB 4.000 . 5.000 2.999 2.234 3.405 . 0 0 "[ . 1 . 2 . 3]" 2
334 1 38 ASN HD21 1 42 THR HB 3.000 . 3.300 2.273 1.781 2.922 0.019 7 0 "[ . 1 . 2 . 3]" 2
335 1 38 ASN H 1 42 THR H 3.000 . 3.500 3.104 2.939 3.329 . 0 0 "[ . 1 . 2 . 3]" 2
336 1 38 ASN HD22 1 42 THR HB 3.000 . 3.300 3.309 2.221 3.425 0.125 8 0 "[ . 1 . 2 . 3]" 2
337 1 38 ASN H 1 43 GLU HA 3.000 . 3.500 3.497 3.367 3.637 0.137 11 0 "[ . 1 . 2 . 3]" 2
338 1 38 ASN HD21 1 54 MET QG 4.000 . 5.500 4.755 4.149 4.995 . 0 0 "[ . 1 . 2 . 3]" 2
339 1 38 ASN HD21 1 61 ARG QB 4.000 . 5.000 4.060 3.198 4.450 . 0 0 "[ . 1 . 2 . 3]" 2
340 1 38 ASN HD22 1 61 ARG QB 4.000 . 5.000 4.234 3.795 4.611 . 0 0 "[ . 1 . 2 . 3]" 2
341 1 38 ASN H 1 63 ILE MD 4.000 . 6.500 3.340 3.157 3.537 . 0 0 "[ . 1 . 2 . 3]" 2
342 1 39 ASP H 1 39 ASP HB2 3.000 . 3.500 2.659 2.298 3.584 0.084 11 0 "[ . 1 . 2 . 3]" 2
343 1 39 ASP H 1 39 ASP HB3 2.500 . 2.900 2.574 2.395 2.907 0.007 12 0 "[ . 1 . 2 . 3]" 2
344 1 39 ASP H 1 40 GLU QG 4.000 . 5.500 4.337 3.987 4.897 . 0 0 "[ . 1 . 2 . 3]" 2
345 1 39 ASP HB2 1 40 GLU H 4.000 . 5.000 4.252 4.061 4.335 . 0 0 "[ . 1 . 2 . 3]" 2
346 1 39 ASP HB3 1 40 GLU H 4.000 . 5.000 3.468 3.234 4.222 . 0 0 "[ . 1 . 2 . 3]" 2
347 1 39 ASP H 1 40 GLU H 3.000 . 3.500 2.667 2.594 2.811 . 0 0 "[ . 1 . 2 . 3]" 2
348 1 39 ASP H 1 61 ARG QB 4.000 . 6.000 4.312 3.942 5.295 . 0 0 "[ . 1 . 2 . 3]" 2
349 1 39 ASP HB2 1 62 GLN H 4.000 . 5.000 4.571 3.825 5.036 0.036 11 0 "[ . 1 . 2 . 3]" 2
350 1 39 ASP H 1 62 GLN H 3.000 . 3.500 3.616 3.537 3.684 0.184 22 0 "[ . 1 . 2 . 3]" 2
351 1 39 ASP H 1 63 ILE MD 4.000 . 5.500 4.443 4.355 4.605 . 0 0 "[ . 1 . 2 . 3]" 2
352 1 39 ASP H 1 63 ILE HA 4.000 . 5.000 3.116 2.900 3.363 . 0 0 "[ . 1 . 2 . 3]" 2
353 1 39 ASP H 1 64 GLU QG 4.000 . 5.500 4.979 4.708 5.085 . 0 0 "[ . 1 . 2 . 3]" 2
354 1 40 GLU H 1 40 GLU QB 3.000 . 4.000 2.204 2.101 2.396 . 0 0 "[ . 1 . 2 . 3]" 2
355 1 40 GLU H 1 40 GLU QG 3.000 . 4.000 2.653 2.197 3.262 . 0 0 "[ . 1 . 2 . 3]" 2
356 1 40 GLU HA 1 41 GLY H 3.000 . 3.500 3.415 3.252 3.455 . 0 0 "[ . 1 . 2 . 3]" 2
357 1 40 GLU H 1 41 GLY H 2.500 . 2.900 2.408 2.369 2.631 . 0 0 "[ . 1 . 2 . 3]" 2
358 1 40 GLU HB3 1 42 THR H 3.000 . 3.500 3.636 3.508 3.690 0.190 16 0 "[ . 1 . 2 . 3]" 2
359 1 40 GLU HB2 1 42 THR H 3.000 . 3.500 2.919 2.581 3.887 0.387 24 0 "[ . 1 . 2 . 3]" 2
360 1 40 GLU H 1 42 THR H 3.000 . 3.500 3.341 3.261 3.417 . 0 0 "[ . 1 . 2 . 3]" 2
361 1 40 GLU H 1 61 ARG QB 3.000 . 3.500 4.096 3.759 4.925 1.425 23 19 "[****. ***** ** ***2 +*. ** -]" 2
362 1 41 GLY H 1 42 THR HA 4.000 . 5.000 4.708 4.606 5.027 0.027 22 0 "[ . 1 . 2 . 3]" 2
363 1 41 GLY H 1 42 THR HB 4.000 . 5.000 4.091 3.909 4.564 . 0 0 "[ . 1 . 2 . 3]" 2
364 1 41 GLY HA2 1 42 THR H 3.000 . 3.500 3.264 3.177 3.337 . 0 0 "[ . 1 . 2 . 3]" 2
365 1 41 GLY HA3 1 42 THR H 3.000 . 3.500 3.293 3.208 3.365 . 0 0 "[ . 1 . 2 . 3]" 2
366 1 41 GLY H 1 42 THR H 2.500 . 2.900 1.984 1.865 2.364 . 0 0 "[ . 1 . 2 . 3]" 2
367 1 42 THR H 1 42 THR MG 3.000 . 4.000 3.524 3.200 3.784 . 0 0 "[ . 1 . 2 . 3]" 2
368 1 42 THR H 1 42 THR HB 2.500 . 2.900 2.337 2.163 2.918 0.018 12 0 "[ . 1 . 2 . 3]" 2
369 1 42 THR HB 1 43 GLU H 3.000 . 3.500 4.300 3.809 4.405 0.905 22 27 "[***-*****1* **.******+********]" 2
370 1 42 THR MG 1 43 GLU H 2.500 . 3.400 2.595 2.474 2.728 . 0 0 "[ . 1 . 2 . 3]" 2
371 1 42 THR HA 1 43 GLU H 2.500 . 2.900 2.208 2.106 2.298 . 0 0 "[ . 1 . 2 . 3]" 2
372 1 43 GLU H 1 43 GLU HG3 3.000 . 3.500 2.702 1.793 3.509 0.009 27 0 "[ . 1 . 2 . 3]" 2
373 1 43 GLU QG 1 44 ALA H 4.000 . 5.500 4.323 3.900 4.805 . 0 0 "[ . 1 . 2 . 3]" 2
374 1 43 GLU QB 1 44 ALA H 3.000 . 4.000 3.098 2.785 3.185 . 0 0 "[ . 1 . 2 . 3]" 2
375 1 43 GLU HA 1 44 ALA H 2.500 . 2.900 2.147 2.114 2.191 . 0 0 "[ . 1 . 2 . 3]" 2
376 1 44 ALA H 1 44 ALA MB 3.000 . 4.000 2.443 2.377 2.590 . 0 0 "[ . 1 . 2 . 3]" 2
377 1 44 ALA H 1 45 GLU H 3.000 . 3.500 4.225 4.143 4.330 0.830 22 30 [******************-**+********] 2
378 1 44 ALA MB 1 45 GLU H 3.000 . 4.000 3.207 3.006 3.280 . 0 0 "[ . 1 . 2 . 3]" 2
379 1 44 ALA HA 1 45 GLU H 2.500 . 2.900 2.142 2.116 2.179 . 0 0 "[ . 1 . 2 . 3]" 2
380 1 44 ALA MB 1 46 ALA H 4.000 . 5.500 4.479 4.380 4.555 . 0 0 "[ . 1 . 2 . 3]" 2
381 1 44 ALA MB 1 51 ALA H 3.000 . 4.000 4.232 4.163 4.316 0.316 15 0 "[ . 1 . 2 . 3]" 2
382 1 44 ALA H 1 54 MET QB 4.000 . 5.500 5.654 5.164 5.843 0.343 1 0 "[ . 1 . 2 . 3]" 2
383 1 45 GLU H 1 45 GLU QB 3.000 . 3.500 2.182 2.087 2.260 . 0 0 "[ . 1 . 2 . 3]" 2
384 1 45 GLU H 1 45 GLU QG 3.000 . 4.000 3.321 2.621 3.944 . 0 0 "[ . 1 . 2 . 3]" 2
385 1 45 GLU QG 1 46 ALA H 3.000 . 4.000 3.742 3.076 4.059 0.059 17 0 "[ . 1 . 2 . 3]" 2
386 1 45 GLU QB 1 46 ALA H 3.000 . 3.500 3.618 3.453 3.837 0.337 4 0 "[ . 1 . 2 . 3]" 2
387 1 45 GLU HA 1 46 ALA H 2.500 . 2.900 2.169 2.145 2.191 . 0 0 "[ . 1 . 2 . 3]" 2
388 1 45 GLU QG 1 48 SER H 4.000 . 5.500 5.354 4.715 5.509 0.009 17 0 "[ . 1 . 2 . 3]" 2
389 1 45 GLU H 1 48 SER HB3 4.000 . 5.000 4.485 3.347 4.895 . 0 0 "[ . 1 . 2 . 3]" 2
390 1 45 GLU H 1 48 SER HB2 4.000 . 5.000 3.406 2.714 4.874 . 0 0 "[ . 1 . 2 . 3]" 2
391 1 45 GLU QB 1 48 SER H 4.000 . 5.000 3.520 2.981 3.835 . 0 0 "[ . 1 . 2 . 3]" 2
392 1 45 GLU H 1 51 ALA MB 4.000 . 5.500 2.234 1.768 2.889 0.032 15 0 "[ . 1 . 2 . 3]" 2
393 1 46 ALA H 1 46 ALA MB 2.500 . 3.400 2.234 2.157 2.337 . 0 0 "[ . 1 . 2 . 3]" 2
394 1 46 ALA MB 1 48 SER H 4.000 . 5.500 4.480 3.915 4.806 . 0 0 "[ . 1 . 2 . 3]" 2
395 1 46 ALA HA 1 48 SER H 3.000 . 3.500 3.689 3.341 4.194 0.694 29 3 "[ - * 1 . 2 . +3]" 2
396 1 46 ALA H 1 48 SER H 3.000 . 3.500 4.665 4.344 4.929 1.429 28 30 [***-***********************+**] 2
397 1 46 ALA H 1 51 ALA MB 4.000 . 5.500 4.818 4.057 5.670 0.170 1 0 "[ . 1 . 2 . 3]" 2
398 1 47 ASN HB3 1 48 SER H 4.000 . 5.000 3.587 2.457 4.558 . 0 0 "[ . 1 . 2 . 3]" 2
399 1 47 ASN HB2 1 48 SER H 4.000 . 5.000 4.369 3.838 4.630 . 0 0 "[ . 1 . 2 . 3]" 2
400 1 47 ASN HA 1 48 SER H 3.000 . 3.500 3.315 3.084 3.561 0.061 7 0 "[ . 1 . 2 . 3]" 2
401 1 48 SER H 1 48 SER HB3 3.000 . 3.500 3.540 2.503 3.669 0.169 4 0 "[ . 1 . 2 . 3]" 2
402 1 48 SER H 1 48 SER HB2 3.000 . 3.500 2.500 2.211 3.582 0.082 11 0 "[ . 1 . 2 . 3]" 2
403 1 48 SER QB 1 49 VAL H 4.000 . 5.500 3.489 3.166 3.896 . 0 0 "[ . 1 . 2 . 3]" 2
404 1 48 SER HA 1 49 VAL H 3.000 . 3.500 2.244 2.147 2.459 . 0 0 "[ . 1 . 2 . 3]" 2
405 1 48 SER HA 1 50 ILE H 4.000 . 5.000 3.650 3.242 4.020 . 0 0 "[ . 1 . 2 . 3]" 2
406 1 48 SER QB 1 50 ILE H 3.000 . 4.000 3.132 2.629 3.618 . 0 0 "[ . 1 . 2 . 3]" 2
407 1 48 SER HA 1 51 ALA H 3.000 . 3.500 4.184 3.874 4.410 0.910 28 24 "[ ** *****1*-* ****** ** ***+**]" 2
408 1 48 SER HB3 1 51 ALA H 3.000 . 3.500 2.348 2.166 3.179 . 0 0 "[ . 1 . 2 . 3]" 2
409 1 48 SER HB2 1 51 ALA H 3.000 . 3.500 3.455 3.108 3.611 0.111 11 0 "[ . 1 . 2 . 3]" 2
410 1 48 SER H 1 51 ALA MB 3.000 . 4.000 3.348 2.822 3.824 . 0 0 "[ . 1 . 2 . 3]" 2
411 1 48 SER H 1 52 LEU QD 4.000 . 5.500 3.692 2.767 4.610 . 0 0 "[ . 1 . 2 . 3]" 2
412 1 49 VAL H 1 49 VAL HB 3.000 . 3.500 2.834 2.550 3.181 . 0 0 "[ . 1 . 2 . 3]" 2
413 1 49 VAL H 1 49 VAL MG2 3.000 . 4.000 1.805 1.665 2.143 0.135 21 0 "[ . 1 . 2 . 3]" 2
414 1 49 VAL H 1 50 ILE H 4.000 . 5.000 2.584 2.337 2.924 . 0 0 "[ . 1 . 2 . 3]" 2
415 1 49 VAL HA 1 50 ILE H 3.000 . 3.500 3.508 3.447 3.543 0.043 23 0 "[ . 1 . 2 . 3]" 2
416 1 49 VAL HB 1 50 ILE H 3.000 . 3.500 2.835 2.661 3.070 . 0 0 "[ . 1 . 2 . 3]" 2
417 1 49 VAL HB 1 53 LEU H 4.000 . 5.000 5.085 5.042 5.186 0.186 24 0 "[ . 1 . 2 . 3]" 2
418 1 50 ILE H 1 50 ILE MG 2.500 . 3.400 3.063 3.048 3.075 . 0 0 "[ . 1 . 2 . 3]" 2
419 1 50 ILE H 1 50 ILE QG 2.500 . 3.400 3.352 3.328 3.371 . 0 0 "[ . 1 . 2 . 3]" 2
420 1 50 ILE H 1 50 ILE HB 2.500 . 2.900 1.914 1.899 1.937 . 0 0 "[ . 1 . 2 . 3]" 2
421 1 50 ILE QG 1 51 ALA H 3.000 . 4.000 4.463 4.413 4.507 0.507 2 2 "[ + . 1 - 2 . 3]" 2
422 1 50 ILE HA 1 51 ALA H 3.000 . 3.500 3.482 3.451 3.523 0.023 14 0 "[ . 1 . 2 . 3]" 2
423 1 50 ILE MG 1 51 ALA H 3.000 . 4.000 2.118 1.987 2.260 . 0 0 "[ . 1 . 2 . 3]" 2
424 1 50 ILE H 1 51 ALA MB 2.500 . 3.400 4.036 3.877 4.222 0.822 1 27 "[+********* ***.*-********** **]" 2
425 1 50 ILE HB 1 51 ALA H 2.500 . 2.900 3.106 3.030 3.144 0.244 2 0 "[ . 1 . 2 . 3]" 2
426 1 50 ILE H 1 51 ALA H 2.500 . 2.900 2.519 2.416 2.633 . 0 0 "[ . 1 . 2 . 3]" 2
427 1 50 ILE HA 1 53 LEU H 3.000 . 3.500 3.449 3.215 3.599 0.099 26 0 "[ . 1 . 2 . 3]" 2
428 1 50 ILE HA 1 54 MET H 4.000 . 5.000 4.287 3.735 4.871 . 0 0 "[ . 1 . 2 . 3]" 2
429 1 51 ALA H 1 51 ALA MB 2.500 . 3.400 2.014 1.931 2.168 . 0 0 "[ . 1 . 2 . 3]" 2
430 1 51 ALA H 1 52 LEU QB 4.000 . 5.000 4.589 4.270 4.841 . 0 0 "[ . 1 . 2 . 3]" 2
431 1 51 ALA HA 1 52 LEU H 3.000 . 3.500 3.553 3.487 3.577 0.077 26 0 "[ . 1 . 2 . 3]" 2
432 1 51 ALA MB 1 52 LEU H 2.500 . 3.400 2.351 2.103 2.786 . 0 0 "[ . 1 . 2 . 3]" 2
433 1 51 ALA H 1 52 LEU H 2.500 . 2.900 2.719 2.438 2.906 0.006 7 0 "[ . 1 . 2 . 3]" 2
434 1 52 LEU H 1 52 LEU QD 3.000 . 3.500 2.496 1.730 3.130 0.070 4 0 "[ . 1 . 2 . 3]" 2
435 1 52 LEU H 1 52 LEU QB 2.500 . 2.900 2.423 2.158 2.652 . 0 0 "[ . 1 . 2 . 3]" 2
436 1 52 LEU HA 1 53 LEU H 3.000 . 3.500 3.534 3.480 3.564 0.064 18 0 "[ . 1 . 2 . 3]" 2
437 1 52 LEU H 1 53 LEU H 2.500 . 2.900 2.707 2.404 2.910 0.010 18 0 "[ . 1 . 2 . 3]" 2
438 1 52 LEU HA 1 55 LEU H 3.000 . 3.500 3.505 3.159 3.632 0.132 3 0 "[ . 1 . 2 . 3]" 2
439 1 53 LEU H 1 53 LEU QD 3.000 . 3.500 3.391 3.235 3.747 0.247 3 0 "[ . 1 . 2 . 3]" 2
440 1 53 LEU H 1 53 LEU HB2 2.500 . 2.900 2.169 2.122 2.314 . 0 0 "[ . 1 . 2 . 3]" 2
441 1 53 LEU H 1 53 LEU HB3 2.500 . 2.900 2.931 2.814 2.998 0.098 5 0 "[ . 1 . 2 . 3]" 2
442 1 53 LEU QD 1 54 MET H 4.000 . 5.000 3.652 3.330 4.082 . 0 0 "[ . 1 . 2 . 3]" 2
443 1 53 LEU HB2 1 54 MET H 3.000 . 3.500 3.555 3.459 3.615 0.115 10 0 "[ . 1 . 2 . 3]" 2
444 1 53 LEU HB3 1 54 MET H 3.000 . 3.500 2.722 2.328 2.972 . 0 0 "[ . 1 . 2 . 3]" 2
445 1 53 LEU H 1 54 MET H 2.500 . 2.900 2.650 2.433 2.910 0.010 22 0 "[ . 1 . 2 . 3]" 2
446 1 53 LEU HA 1 56 ASP H 4.000 . 5.000 3.376 3.084 3.638 . 0 0 "[ . 1 . 2 . 3]" 2
447 1 53 LEU QD 1 57 SER H 4.000 . 5.000 4.258 3.830 4.944 . 0 0 "[ . 1 . 2 . 3]" 2
448 1 54 MET H 1 54 MET QG 3.000 . 3.500 4.029 3.949 4.059 0.559 11 24 "[*-****** *+**** ***2***** * *3]" 2
449 1 54 MET H 1 54 MET QB 3.000 . 4.000 2.217 2.139 2.268 . 0 0 "[ . 1 . 2 . 3]" 2
450 1 54 MET QG 1 55 LEU H 4.000 . 5.500 3.720 3.431 4.132 . 0 0 "[ . 1 . 2 . 3]" 2
451 1 54 MET QB 1 55 LEU H 3.000 . 4.000 2.427 2.109 2.900 . 0 0 "[ . 1 . 2 . 3]" 2
452 1 55 LEU H 1 55 LEU MD2 3.000 . 4.000 2.853 1.733 3.520 0.067 1 0 "[ . 1 . 2 . 3]" 2
453 1 55 LEU H 1 55 LEU MD1 3.000 . 4.000 3.000 1.572 3.506 0.228 4 0 "[ . 1 . 2 . 3]" 2
454 1 55 LEU H 1 55 LEU HG 2.500 . 2.900 1.752 1.625 2.057 0.175 5 0 "[ . 1 . 2 . 3]" 2
455 1 55 LEU H 1 55 LEU QB 2.500 . 3.400 2.868 2.648 3.006 . 0 0 "[ . 1 . 2 . 3]" 2
456 1 55 LEU HA 1 56 ASP H 3.000 . 3.500 3.352 3.312 3.413 . 0 0 "[ . 1 . 2 . 3]" 2
457 1 55 LEU QB 1 57 SER H 4.000 . 5.500 4.715 4.263 5.195 . 0 0 "[ . 1 . 2 . 3]" 2
458 1 56 ASP H 1 56 ASP HB2 2.500 . 2.900 2.475 2.320 2.723 . 0 0 "[ . 1 . 2 . 3]" 2
459 1 56 ASP QB 1 57 SER H 3.000 . 4.000 2.629 2.352 2.939 . 0 0 "[ . 1 . 2 . 3]" 2
460 1 56 ASP H 1 58 ALA H 3.000 . 3.500 3.786 3.681 3.911 0.411 4 0 "[ . 1 . 2 . 3]" 2
461 1 57 SER H 1 57 SER QB 2.500 . 3.400 2.385 2.054 2.623 . 0 0 "[ . 1 . 2 . 3]" 2
462 1 57 SER H 1 58 ALA HA 4.000 . 5.000 4.900 4.627 5.037 0.037 19 0 "[ . 1 . 2 . 3]" 2
463 1 57 SER H 1 58 ALA MB 4.000 . 5.500 4.341 4.212 4.513 . 0 0 "[ . 1 . 2 . 3]" 2
464 1 57 SER QB 1 58 ALA H 3.000 . 4.000 3.398 3.012 3.828 . 0 0 "[ . 1 . 2 . 3]" 2
465 1 57 SER HA 1 58 ALA H 3.000 . 3.500 3.348 3.268 3.494 . 0 0 "[ . 1 . 2 . 3]" 2
466 1 58 ALA H 1 58 ALA MB 2.500 . 3.400 2.319 2.142 2.724 . 0 0 "[ . 1 . 2 . 3]" 2
467 1 58 ALA H 1 59 LYS QB 4.000 . 6.500 4.843 4.556 5.257 . 0 0 "[ . 1 . 2 . 3]" 2
468 1 58 ALA H 1 59 LYS H 3.000 . 3.500 3.702 2.939 4.694 1.194 25 4 "[ . 1* . 2 +- *3]" 2
469 1 58 ALA MB 1 59 LYS H 3.000 . 4.000 1.990 1.730 2.707 0.070 29 0 "[ . 1 . 2 . 3]" 2
470 1 58 ALA HA 1 59 LYS H 3.000 . 3.500 3.433 2.542 3.557 0.057 21 0 "[ . 1 . 2 . 3]" 2
471 1 58 ALA HA 1 60 GLY H 4.000 . 5.000 5.032 4.674 5.196 0.196 25 0 "[ . 1 . 2 . 3]" 2
472 1 58 ALA MB 1 60 GLY H 3.000 . 4.000 3.395 2.939 3.677 . 0 0 "[ . 1 . 2 . 3]" 2
473 1 58 ALA HA 1 61 ARG H 4.000 . 5.000 3.856 3.313 5.108 0.108 15 0 "[ . 1 . 2 . 3]" 2
474 1 58 ALA MB 1 61 ARG H 4.000 . 5.500 3.483 2.805 4.330 . 0 0 "[ . 1 . 2 . 3]" 2
475 1 59 LYS H 1 59 LYS QD 4.000 . 5.500 4.649 3.419 5.071 . 0 0 "[ . 1 . 2 . 3]" 2
476 1 59 LYS H 1 59 LYS QG 3.000 . 4.000 3.331 2.166 4.102 0.102 26 0 "[ . 1 . 2 . 3]" 2
477 1 59 LYS H 1 59 LYS QB 2.500 . 3.400 2.944 2.433 3.173 . 0 0 "[ . 1 . 2 . 3]" 2
478 1 59 LYS QG 1 60 GLY H 4.000 . 5.500 4.235 3.866 4.502 . 0 0 "[ . 1 . 2 . 3]" 2
479 1 59 LYS H 1 60 GLY H 4.000 . 5.000 3.187 2.432 3.813 . 0 0 "[ . 1 . 2 . 3]" 2
480 1 59 LYS QB 1 60 GLY H 3.000 . 4.000 3.957 3.887 4.051 0.051 22 0 "[ . 1 . 2 . 3]" 2
481 1 59 LYS HA 1 60 GLY H 2.500 . 2.900 2.482 2.361 2.705 . 0 0 "[ . 1 . 2 . 3]" 2
482 1 59 LYS H 1 61 ARG QG 4.000 . 5.500 4.613 3.308 5.500 . 0 0 "[ . 1 . 2 . 3]" 2
483 1 60 GLY HA3 1 61 ARG H 3.000 . 3.500 3.058 2.683 3.530 0.030 9 0 "[ . 1 . 2 . 3]" 2
484 1 60 GLY HA2 1 61 ARG H 3.000 . 3.500 3.371 2.363 3.561 0.061 13 0 "[ . 1 . 2 . 3]" 2
485 1 60 GLY H 1 61 ARG H 3.000 . 3.500 2.707 2.125 3.265 . 0 0 "[ . 1 . 2 . 3]" 2
486 1 61 ARG H 1 61 ARG QD 4.000 . 5.500 3.509 1.723 4.636 0.077 12 0 "[ . 1 . 2 . 3]" 2
487 1 61 ARG H 1 61 ARG QB . . 2.900 2.530 2.208 2.951 0.051 9 0 "[ . 1 . 2 . 3]" 2
488 1 61 ARG H 1 61 ARG QG 3.000 . 4.000 2.180 1.670 4.112 0.130 5 0 "[ . 1 . 2 . 3]" 2
489 1 61 ARG QG 1 62 GLN H 3.000 . 4.000 3.773 1.515 4.143 0.285 15 0 "[ . 1 . 2 . 3]" 2
490 1 61 ARG H 1 62 GLN H 3.000 . 3.500 4.544 4.312 4.647 1.147 5 30 [****+*********-***************] 2
491 1 61 ARG HA 1 62 GLN H 2.500 . 2.900 2.480 2.217 2.814 . 0 0 "[ . 1 . 2 . 3]" 2
492 1 62 GLN H 1 62 GLN QG . . 2.900 2.097 1.809 2.927 0.027 12 0 "[ . 1 . 2 . 3]" 2
493 1 62 GLN H 1 62 GLN QB 2.500 . 3.400 2.846 2.649 3.092 . 0 0 "[ . 1 . 2 . 3]" 2
494 1 62 GLN QG 1 63 ILE H 3.000 . 3.500 4.049 3.722 4.391 0.891 27 13 "[ * ** - * .** ** .*+ **]" 2
495 1 62 GLN QB 1 63 ILE H 2.500 . 3.400 3.022 2.872 3.202 . 0 0 "[ . 1 . 2 . 3]" 2
496 1 62 GLN HA 1 63 ILE H 2.500 . 2.900 2.178 2.123 2.246 . 0 0 "[ . 1 . 2 . 3]" 2
497 1 63 ILE H 1 63 ILE MG 3.000 . 4.000 2.019 1.860 2.120 . 0 0 "[ . 1 . 2 . 3]" 2
498 1 63 ILE H 1 63 ILE QG 3.000 . 3.500 4.031 3.999 4.050 0.550 5 29 "[****+****** **********-*******]" 2
499 1 63 ILE H 1 63 ILE HB 2.500 . 2.900 2.704 2.633 2.783 . 0 0 "[ . 1 . 2 . 3]" 2
500 1 63 ILE H 1 64 GLU HA 4.000 . 5.000 5.084 5.044 5.126 0.126 19 0 "[ . 1 . 2 . 3]" 2
501 1 63 ILE QG 1 64 GLU H 3.000 . 3.500 1.886 1.786 1.999 0.014 14 0 "[ . 1 . 2 . 3]" 2
502 1 63 ILE MG 1 64 GLU H 3.000 . 4.000 3.523 3.426 3.693 . 0 0 "[ . 1 . 2 . 3]" 2
503 1 63 ILE HB 1 64 GLU H 2.500 . 2.900 3.997 3.956 4.030 1.130 11 30 [**********+**-****************] 2
504 1 63 ILE HA 1 64 GLU H 2.500 . 2.900 2.157 2.075 2.219 . 0 0 "[ . 1 . 2 . 3]" 2
505 1 63 ILE QG 1 65 VAL H 4.000 . 5.000 3.930 3.741 4.109 . 0 0 "[ . 1 . 2 . 3]" 2
506 1 63 ILE MG 1 65 VAL H 3.000 . 4.000 3.530 3.439 3.592 . 0 0 "[ . 1 . 2 . 3]" 2
507 1 64 GLU H 1 64 GLU QB 2.500 . 3.400 2.381 2.215 2.432 . 0 0 "[ . 1 . 2 . 3]" 2
508 1 64 GLU H 1 64 GLU QG 2.500 . 3.400 3.916 3.718 4.006 0.606 19 21 "[*-*** ***1 * * **+** *.*****]" 2
509 1 64 GLU HA 1 65 VAL H 2.500 . 2.900 2.175 2.126 2.249 . 0 0 "[ . 1 . 2 . 3]" 2
510 1 64 GLU HA 1 66 GLU H 4.000 . 5.000 6.050 5.943 6.103 1.103 27 30 [***********-**************+***] 2
511 1 65 VAL H 1 65 VAL QG 2.500 . 2.900 2.032 1.974 2.103 . 0 0 "[ . 1 . 2 . 3]" 2
512 1 65 VAL H 1 65 VAL HB 2.500 . 2.900 2.597 2.488 2.771 . 0 0 "[ . 1 . 2 . 3]" 2
513 1 65 VAL H 1 66 GLU HA 4.000 . 5.000 5.238 5.204 5.264 0.264 18 0 "[ . 1 . 2 . 3]" 2
514 1 65 VAL HA 1 66 GLU H 2.500 . 2.900 2.222 2.194 2.246 . 0 0 "[ . 1 . 2 . 3]" 2
515 1 66 GLU H 1 66 GLU QG 3.000 . 4.000 3.990 3.924 4.037 0.037 25 0 "[ . 1 . 2 . 3]" 2
516 1 66 GLU H 1 66 GLU QB 2.500 . 3.400 2.703 2.632 2.754 . 0 0 "[ . 1 . 2 . 3]" 2
517 1 66 GLU H 1 67 ALA MB 4.000 . 5.500 4.484 4.446 4.563 . 0 0 "[ . 1 . 2 . 3]" 2
518 1 66 GLU QB 1 67 ALA H 3.000 . 4.000 3.879 3.825 3.912 . 0 0 "[ . 1 . 2 . 3]" 2
519 1 66 GLU QG 1 67 ALA H 2.500 . 3.400 2.830 2.654 2.943 . 0 0 "[ . 1 . 2 . 3]" 2
520 1 67 ALA H 1 67 ALA MB 2.500 . 3.400 2.403 2.317 2.471 . 0 0 "[ . 1 . 2 . 3]" 2
521 1 67 ALA H 1 68 THR HA 2.500 . 2.900 5.005 4.931 5.106 2.206 19 30 [*********-********+***********] 2
522 1 67 ALA HA 1 68 THR H 2.500 . 2.900 2.304 2.260 2.351 . 0 0 "[ . 1 . 2 . 3]" 2
523 1 67 ALA MB 1 72 GLU H 4.000 . 5.500 4.354 4.265 4.434 . 0 0 "[ . 1 . 2 . 3]" 2
524 1 67 ALA MB 1 73 GLU H 4.000 . 5.500 4.269 4.102 4.389 . 0 0 "[ . 1 . 2 . 3]" 2
525 1 67 ALA MB 1 75 ALA H 4.000 . 5.500 4.585 4.413 4.704 . 0 0 "[ . 1 . 2 . 3]" 2
526 1 67 ALA MB 1 76 LEU H 3.000 . 4.000 2.973 2.857 3.182 . 0 0 "[ . 1 . 2 . 3]" 2
527 1 68 THR H 1 68 THR HB 2.500 . 2.900 2.866 2.823 2.904 0.004 2 0 "[ . 1 . 2 . 3]" 2
528 1 68 THR H 1 68 THR MG 2.500 . 3.400 3.920 3.901 3.939 0.539 2 30 [*+*************-**************] 2
529 1 68 THR HB 1 69 GLY H 4.000 . 5.000 4.393 4.360 4.428 . 0 0 "[ . 1 . 2 . 3]" 2
530 1 68 THR MG 1 69 GLY H 3.000 . 4.000 3.182 3.135 3.225 . 0 0 "[ . 1 . 2 . 3]" 2
531 1 68 THR HA 1 69 GLY H 2.500 . 2.900 2.182 2.169 2.197 . 0 0 "[ . 1 . 2 . 3]" 2
532 1 68 THR H 1 72 GLU HA 4.000 . 6.000 4.247 4.136 4.348 . 0 0 "[ . 1 . 2 . 3]" 2
533 1 68 THR H 1 72 GLU QB 4.000 . 5.000 2.631 2.556 2.698 . 0 0 "[ . 1 . 2 . 3]" 2
534 1 68 THR HA 1 72 GLU H 4.000 . 5.000 5.029 4.976 5.065 0.065 30 0 "[ . 1 . 2 . 3]" 2
535 1 68 THR H 1 72 GLU QG 3.000 . 3.500 4.450 4.417 4.495 0.995 28 30 [***************************+*-] 2
536 1 69 GLY HA2 1 71 GLN H 4.000 . 6.000 4.763 4.562 4.834 . 0 0 "[ . 1 . 2 . 3]" 2
537 1 69 GLY H 1 71 GLN HA 4.000 . 5.000 5.993 5.907 6.065 1.065 1 30 [+-****************************] 2
538 1 69 GLY HA2 1 72 GLU H 4.000 . 6.000 4.894 4.826 5.030 . 0 0 "[ . 1 . 2 . 3]" 2
539 1 69 GLY HA3 1 72 GLU H 4.000 . 5.000 4.179 4.080 4.301 . 0 0 "[ . 1 . 2 . 3]" 2
540 1 69 GLY H 1 72 GLU QG . . 3.500 1.707 1.657 1.738 0.143 1 0 "[ . 1 . 2 . 3]" 2
541 1 69 GLY H 1 72 GLU H 4.000 . 5.000 3.391 3.342 3.457 . 0 0 "[ . 1 . 2 . 3]" 2
542 1 69 GLY H 1 72 GLU HA 3.000 . 3.500 4.429 4.371 4.474 0.974 30 30 [-****************************+] 2
543 1 69 GLY H 1 72 GLU QB . . 2.900 2.368 2.232 2.441 . 0 0 "[ . 1 . 2 . 3]" 2
544 1 70 PRO QG 1 71 GLN H 3.000 . 3.500 3.800 3.752 3.840 0.340 30 0 "[ . 1 . 2 . 3]" 2
545 1 70 PRO HA 1 71 GLN H 3.000 . 3.500 3.569 3.540 3.582 0.082 24 0 "[ . 1 . 2 . 3]" 2
546 1 70 PRO QD 1 71 GLN H 3.000 . 4.000 3.289 3.154 3.472 . 0 0 "[ . 1 . 2 . 3]" 2
547 1 70 PRO HB3 1 71 GLN H 3.000 . 3.500 3.639 3.604 3.697 0.197 13 0 "[ . 1 . 2 . 3]" 2
548 1 70 PRO HA 1 72 GLU H 4.000 . 5.000 4.543 4.441 4.648 . 0 0 "[ . 1 . 2 . 3]" 2
549 1 71 GLN HE22 1 71 GLN QG 3.000 . 3.800 3.439 3.359 3.531 . 0 0 "[ . 1 . 2 . 3]" 2
550 1 71 GLN H 1 71 GLN QG 2.500 . 3.400 3.343 3.055 3.838 0.438 10 0 "[ . 1 . 2 . 3]" 2
551 1 71 GLN H 1 71 GLN HB2 2.500 . 2.900 2.468 2.436 2.509 . 0 0 "[ . 1 . 2 . 3]" 2
552 1 71 GLN HA 1 72 GLU H 3.000 . 3.500 2.777 2.686 2.834 . 0 0 "[ . 1 . 2 . 3]" 2
553 1 71 GLN H 1 72 GLU H 2.500 . 2.900 2.959 2.921 3.024 0.124 19 0 "[ . 1 . 2 . 3]" 2
554 1 71 GLN HA 1 73 GLU H 3.000 . 3.500 3.406 3.191 3.530 0.030 30 0 "[ . 1 . 2 . 3]" 2
555 1 72 GLU H 1 72 GLU QB 2.500 . 2.900 2.795 2.770 2.814 . 0 0 "[ . 1 . 2 . 3]" 2
556 1 72 GLU H 1 72 GLU QG 2.500 . 2.900 1.735 1.669 1.831 0.131 20 0 "[ . 1 . 2 . 3]" 2
557 1 72 GLU H 1 73 GLU QG 4.000 . 5.000 4.283 3.824 4.453 . 0 0 "[ . 1 . 2 . 3]" 2
558 1 72 GLU HA 1 73 GLU H 3.000 . 3.500 3.477 3.437 3.494 . 0 0 "[ . 1 . 2 . 3]" 2
559 1 72 GLU H 1 73 GLU H 3.000 . 3.500 2.597 2.394 2.655 . 0 0 "[ . 1 . 2 . 3]" 2
560 1 72 GLU QG 1 73 GLU H 2.500 . 2.900 2.028 1.872 2.196 . 0 0 "[ . 1 . 2 . 3]" 2
561 1 72 GLU H 1 74 GLU H 4.000 . 5.000 4.635 4.051 4.795 . 0 0 "[ . 1 . 2 . 3]" 2
562 1 72 GLU H 1 75 ALA MB 4.000 . 5.500 4.517 4.410 4.578 . 0 0 "[ . 1 . 2 . 3]" 2
563 1 72 GLU HA 1 75 ALA H 3.000 . 3.500 3.578 3.533 3.632 0.132 30 0 "[ . 1 . 2 . 3]" 2
564 1 73 GLU H 1 73 GLU QG . . 2.900 2.452 2.306 2.541 . 0 0 "[ . 1 . 2 . 3]" 2
565 1 73 GLU H 1 73 GLU QB 2.500 . 3.400 2.399 2.348 2.483 . 0 0 "[ . 1 . 2 . 3]" 2
566 1 73 GLU QG 1 74 GLU H 3.000 . 3.500 3.960 3.855 4.098 0.598 13 7 "[ * .- 1 + . *2 .** *]" 2
567 1 73 GLU H 1 74 GLU H 2.500 . 2.900 2.859 2.393 2.960 0.060 10 0 "[ . 1 . 2 . 3]" 2
568 1 73 GLU QB 1 74 GLU H 2.500 . 3.400 2.236 2.140 2.954 . 0 0 "[ . 1 . 2 . 3]" 2
569 1 73 GLU H 1 75 ALA MB 4.000 . 5.500 4.530 4.422 4.597 . 0 0 "[ . 1 . 2 . 3]" 2
570 1 73 GLU H 1 75 ALA H 3.000 . 3.500 3.975 3.811 4.236 0.736 10 7 "[ * .* + *. 2 - . * *]" 2
571 1 73 GLU HA 1 76 LEU H 3.000 . 3.500 3.642 3.582 3.848 0.348 13 0 "[ . 1 . 2 . 3]" 2
572 1 74 GLU QG 1 75 ALA H . . 3.500 3.152 1.783 3.585 0.085 10 0 "[ . 1 . 2 . 3]" 2
573 1 74 GLU HA 1 75 ALA H 3.000 . 3.500 3.494 3.480 3.518 0.018 2 0 "[ . 1 . 2 . 3]" 2
574 1 74 GLU H 1 75 ALA H 2.500 . 2.900 2.739 2.176 2.839 . 0 0 "[ . 1 . 2 . 3]" 2
575 1 74 GLU QB 1 75 ALA H 2.500 . 3.400 2.630 2.235 3.332 . 0 0 "[ . 1 . 2 . 3]" 2
576 1 74 GLU QB 1 76 LEU H 3.000 . 4.000 5.075 4.823 5.387 1.387 26 30 [*************************+-***] 2
577 1 74 GLU QG 1 77 ALA H 4.000 . 5.000 5.204 4.896 5.361 0.361 20 0 "[ . 1 . 2 . 3]" 2
578 1 74 GLU H 1 77 ALA MB 4.000 . 5.500 3.823 3.712 4.004 . 0 0 "[ . 1 . 2 . 3]" 2
579 1 74 GLU QB 1 77 ALA H 3.000 . 4.000 4.912 4.753 5.059 1.059 20 30 [*********-*********+**********] 2
580 1 75 ALA H 1 75 ALA MB 2.500 . 3.400 2.142 2.031 2.200 . 0 0 "[ . 1 . 2 . 3]" 2
581 1 75 ALA H 1 76 LEU QB 3.000 . 3.500 4.381 4.285 4.480 0.980 10 30 [*******-*+********************] 2
582 1 75 ALA HA 1 76 LEU H 3.000 . 3.500 3.540 3.514 3.555 0.055 13 0 "[ . 1 . 2 . 3]" 2
583 1 75 ALA H 1 76 LEU H 2.500 . 2.900 2.815 2.760 2.927 0.027 10 0 "[ . 1 . 2 . 3]" 2
584 1 75 ALA MB 1 76 LEU H 2.500 . 3.400 2.155 2.059 2.421 . 0 0 "[ . 1 . 2 . 3]" 2
585 1 75 ALA HA 1 77 ALA H 4.000 . 5.000 4.312 4.152 4.489 . 0 0 "[ . 1 . 2 . 3]" 2
586 1 75 ALA H 1 77 ALA MB 3.000 . 4.000 4.214 4.165 4.250 0.250 27 0 "[ . 1 . 2 . 3]" 2
587 1 75 ALA HA 1 78 ALA H 3.000 . 3.500 3.504 3.287 3.616 0.116 22 0 "[ . 1 . 2 . 3]" 2
588 1 75 ALA HA 1 79 VAL H 4.000 . 5.000 4.407 4.301 4.514 . 0 0 "[ . 1 . 2 . 3]" 2
589 1 76 LEU H 1 76 LEU QD 3.000 . 3.500 3.161 2.996 3.607 0.107 27 0 "[ . 1 . 2 . 3]" 2
590 1 76 LEU H 1 76 LEU QB 2.500 . 2.900 2.001 1.927 2.131 . 0 0 "[ . 1 . 2 . 3]" 2
591 1 76 LEU HA 1 77 ALA H 3.000 . 3.500 3.478 3.451 3.523 0.023 27 0 "[ . 1 . 2 . 3]" 2
592 1 76 LEU QD 1 77 ALA H 3.000 . 3.500 2.284 2.104 2.719 . 0 0 "[ . 1 . 2 . 3]" 2
593 1 76 LEU H 1 77 ALA H 2.500 . 2.900 2.460 2.384 2.622 . 0 0 "[ . 1 . 2 . 3]" 2
594 1 76 LEU QB 1 77 ALA H 2.500 . 2.900 2.877 2.369 2.950 0.050 23 0 "[ . 1 . 2 . 3]" 2
595 1 76 LEU QB 1 78 ALA H 4.000 . 5.000 4.660 4.367 4.724 . 0 0 "[ . 1 . 2 . 3]" 2
596 1 76 LEU HA 1 78 ALA H 4.000 . 5.000 3.972 3.911 4.030 . 0 0 "[ . 1 . 2 . 3]" 2
597 1 76 LEU HA 1 79 VAL H 3.000 . 3.500 3.438 3.363 3.512 0.012 15 0 "[ . 1 . 2 . 3]" 2
598 1 77 ALA H 1 77 ALA MB 2.500 . 3.400 2.221 2.157 2.246 . 0 0 "[ . 1 . 2 . 3]" 2
599 1 77 ALA HA 1 78 ALA H 3.000 . 3.500 3.464 3.434 3.490 . 0 0 "[ . 1 . 2 . 3]" 2
600 1 77 ALA H 1 78 ALA H 2.500 . 2.900 2.436 2.306 2.595 . 0 0 "[ . 1 . 2 . 3]" 2
601 1 77 ALA HA 1 79 VAL H 4.000 . 5.000 4.318 4.093 4.493 . 0 0 "[ . 1 . 2 . 3]" 2
602 1 77 ALA HA 1 80 ILE H 3.000 . 3.500 3.468 3.408 3.562 0.062 27 0 "[ . 1 . 2 . 3]" 2
603 1 77 ALA HA 1 81 ALA H 3.000 . 3.500 3.977 3.597 4.125 0.625 5 13 "[ ***+ * * * **2 ** - *3]" 2
604 1 78 ALA H 1 78 ALA MB 2.500 . 3.400 2.207 2.186 2.278 . 0 0 "[ . 1 . 2 . 3]" 2
605 1 78 ALA H 1 79 VAL HA 4.000 . 6.000 5.025 4.951 5.090 . 0 0 "[ . 1 . 2 . 3]" 2
606 1 78 ALA H 1 79 VAL MG2 3.000 . 4.000 4.487 4.463 4.530 0.530 5 7 "[ *-+ * * . * 2* . 3]" 2
607 1 78 ALA H 1 79 VAL MG1 3.000 . 4.000 3.035 2.953 3.128 . 0 0 "[ . 1 . 2 . 3]" 2
608 1 78 ALA HA 1 79 VAL H 3.000 . 3.500 3.503 3.465 3.524 0.024 16 0 "[ . 1 . 2 . 3]" 2
609 1 78 ALA MB 1 79 VAL H 2.500 . 3.400 2.665 2.466 2.844 . 0 0 "[ . 1 . 2 . 3]" 2
610 1 78 ALA H 1 79 VAL H 2.500 . 2.900 2.332 2.254 2.410 . 0 0 "[ . 1 . 2 . 3]" 2
611 1 78 ALA HA 1 80 ILE H 4.000 . 5.000 4.496 4.401 4.660 . 0 0 "[ . 1 . 2 . 3]" 2
612 1 78 ALA H 1 80 ILE HB 3.000 . 3.500 4.533 4.500 4.571 1.071 27 30 [*********-****************+***] 2
613 1 79 VAL H 1 79 VAL MG2 3.000 . 4.000 2.911 2.875 2.971 . 0 0 "[ . 1 . 2 . 3]" 2
614 1 79 VAL H 1 79 VAL MG1 2.500 . 3.400 1.591 1.544 1.654 0.256 12 0 "[ . 1 . 2 . 3]" 2
615 1 79 VAL H 1 79 VAL HB 2.500 . 2.900 3.433 3.397 3.471 0.571 7 29 "[******+***** *******-*********]" 2
616 1 79 VAL H 1 80 ILE QG 3.000 . 3.500 4.227 4.066 4.298 0.798 15 30 [**************+***********-***] 2
617 1 79 VAL HA 1 80 ILE H 3.000 . 3.500 3.516 3.504 3.526 0.026 13 0 "[ . 1 . 2 . 3]" 2
618 1 79 VAL H 1 80 ILE H 2.500 . 2.900 2.456 2.352 2.529 . 0 0 "[ . 1 . 2 . 3]" 2
619 1 79 VAL HA 1 81 ALA H 4.000 . 5.000 4.731 4.601 4.809 . 0 0 "[ . 1 . 2 . 3]" 2
620 1 79 VAL HB 1 82 LEU H 4.000 . 5.000 5.005 4.914 5.065 0.065 24 0 "[ . 1 . 2 . 3]" 2
621 1 79 VAL MG2 1 82 LEU H 3.000 . 4.000 3.873 3.845 3.915 . 0 0 "[ . 1 . 2 . 3]" 2
622 1 79 VAL HA 1 82 LEU H 3.000 . 3.500 3.279 3.214 3.331 . 0 0 "[ . 1 . 2 . 3]" 2
623 1 79 VAL HB 1 83 PHE H 4.000 . 6.000 4.603 4.448 4.738 . 0 0 "[ . 1 . 2 . 3]" 2
624 1 79 VAL MG2 1 83 PHE H 3.000 . 4.000 2.994 2.881 3.049 . 0 0 "[ . 1 . 2 . 3]" 2
625 1 80 ILE H 1 80 ILE MD 3.000 . 4.000 3.895 3.867 3.926 . 0 0 "[ . 1 . 2 . 3]" 2
626 1 80 ILE H 1 80 ILE MG 2.500 . 3.400 3.680 3.650 3.704 0.304 13 0 "[ . 1 . 2 . 3]" 2
627 1 80 ILE H 1 80 ILE QG 2.500 . 3.400 2.330 2.288 2.374 . 0 0 "[ . 1 . 2 . 3]" 2
628 1 80 ILE H 1 80 ILE HB 2.500 . 2.900 2.279 2.221 2.336 . 0 0 "[ . 1 . 2 . 3]" 2
629 1 80 ILE QG 1 81 ALA H . . 3.500 4.008 3.933 4.048 0.548 5 20 "[ ***+ * * * *********-.* **]" 2
630 1 80 ILE MD 1 81 ALA H 3.000 . 4.000 4.603 4.570 4.635 0.635 16 30 [***************+***-**********] 2
631 1 80 ILE HA 1 81 ALA H 3.000 . 3.500 3.542 3.529 3.557 0.057 17 0 "[ . 1 . 2 . 3]" 2
632 1 80 ILE MG 1 81 ALA H 3.000 . 4.000 2.688 2.610 2.794 . 0 0 "[ . 1 . 2 . 3]" 2
633 1 80 ILE H 1 81 ALA H 2.500 . 2.900 2.965 2.930 2.997 0.097 2 0 "[ . 1 . 2 . 3]" 2
634 1 80 ILE HB 1 81 ALA H 2.500 . 2.900 2.342 2.258 2.405 . 0 0 "[ . 1 . 2 . 3]" 2
635 1 80 ILE QG 1 82 LEU H 4.000 . 5.000 4.872 4.789 4.972 . 0 0 "[ . 1 . 2 . 3]" 2
636 1 80 ILE HA 1 82 LEU H 4.000 . 5.000 3.542 3.498 3.610 . 0 0 "[ . 1 . 2 . 3]" 2
637 1 80 ILE HA 1 83 PHE H 3.000 . 3.500 2.581 2.516 2.731 . 0 0 "[ . 1 . 2 . 3]" 2
638 1 80 ILE HA 1 84 ASN H 4.000 . 5.000 3.021 2.911 3.138 . 0 0 "[ . 1 . 2 . 3]" 2
639 1 80 ILE MG 1 84 ASN HD22 3.000 . 3.800 3.781 3.738 3.807 0.007 2 0 "[ . 1 . 2 . 3]" 2
640 1 80 ILE MG 1 84 ASN HD21 3.000 . 3.800 2.407 2.347 2.529 . 0 0 "[ . 1 . 2 . 3]" 2
641 1 81 ALA H 1 81 ALA MB 2.500 . 3.400 2.248 2.211 2.269 . 0 0 "[ . 1 . 2 . 3]" 2
642 1 81 ALA HA 1 82 LEU H 3.000 . 3.500 3.464 3.446 3.488 . 0 0 "[ . 1 . 2 . 3]" 2
643 1 81 ALA H 1 82 LEU H 2.500 . 2.900 2.632 2.594 2.679 . 0 0 "[ . 1 . 2 . 3]" 2
644 1 81 ALA MB 1 82 LEU H 2.500 . 3.400 2.823 2.769 2.883 . 0 0 "[ . 1 . 2 . 3]" 2
645 1 81 ALA HA 1 83 PHE H 4.000 . 5.000 4.640 4.513 4.842 . 0 0 "[ . 1 . 2 . 3]" 2
646 1 81 ALA H 1 84 ASN HB2 4.000 . 6.000 4.333 4.104 4.450 . 0 0 "[ . 1 . 2 . 3]" 2
647 1 81 ALA H 1 84 ASN HB3 4.000 . 6.000 5.086 4.823 5.227 . 0 0 "[ . 1 . 2 . 3]" 2
648 1 81 ALA MB 1 84 ASN H 4.000 . 5.500 4.618 4.557 4.657 . 0 0 "[ . 1 . 2 . 3]" 2
649 1 81 ALA HA 1 84 ASN H 3.000 . 3.500 3.596 3.552 3.681 0.181 15 0 "[ . 1 . 2 . 3]" 2
650 1 81 ALA MB 1 85 SER H 4.000 . 5.500 4.802 4.769 4.870 . 0 0 "[ . 1 . 2 . 3]" 2
651 1 82 LEU H 1 82 LEU QD 3.000 . 3.500 3.282 2.617 3.508 0.008 16 0 "[ . 1 . 2 . 3]" 2
652 1 82 LEU H 1 82 LEU HB3 2.500 . 2.900 3.009 2.898 3.270 0.370 24 0 "[ . 1 . 2 . 3]" 2
653 1 82 LEU H 1 83 PHE HA 4.000 . 5.000 4.848 4.829 4.874 . 0 0 "[ . 1 . 2 . 3]" 2
654 1 82 LEU H 1 83 PHE HB2 4.000 . 5.000 4.163 4.059 4.243 . 0 0 "[ . 1 . 2 . 3]" 2
655 1 82 LEU HA 1 83 PHE H 3.000 . 3.500 3.531 3.507 3.551 0.051 16 0 "[ . 1 . 2 . 3]" 2
656 1 82 LEU HB2 1 83 PHE H 3.000 . 3.500 3.386 2.794 3.546 0.046 19 0 "[ . 1 . 2 . 3]" 2
657 1 82 LEU HB3 1 83 PHE H 2.500 . 2.900 2.787 2.500 2.981 0.081 20 0 "[ . 1 . 2 . 3]" 2
658 1 82 LEU H 1 83 PHE H 2.500 . 2.900 2.181 2.143 2.247 . 0 0 "[ . 1 . 2 . 3]" 2
659 1 82 LEU HB3 1 84 ASN H 4.000 . 5.000 4.806 4.656 4.892 . 0 0 "[ . 1 . 2 . 3]" 2
660 1 82 LEU HA 1 84 ASN H 4.000 . 5.000 4.062 3.918 4.274 . 0 0 "[ . 1 . 2 . 3]" 2
661 1 82 LEU HB3 1 85 SER H 4.000 . 5.000 4.708 4.479 4.997 . 0 0 "[ . 1 . 2 . 3]" 2
662 1 82 LEU HA 1 85 SER H 4.000 . 5.000 2.978 2.775 3.259 . 0 0 "[ . 1 . 2 . 3]" 2
663 1 83 PHE H 1 83 PHE QE 4.000 . 5.500 4.581 4.338 4.890 . 0 0 "[ . 1 . 2 . 3]" 2
664 1 83 PHE H 1 83 PHE QD 3.000 . 4.000 2.431 2.211 2.675 . 0 0 "[ . 1 . 2 . 3]" 2
665 1 83 PHE H 1 83 PHE HB3 3.000 . 3.500 3.545 3.485 3.575 0.075 29 0 "[ . 1 . 2 . 3]" 2
666 1 83 PHE H 1 83 PHE HB2 2.500 . 2.900 2.311 2.198 2.392 . 0 0 "[ . 1 . 2 . 3]" 2
667 1 83 PHE H 1 84 ASN HB2 4.000 . 5.000 4.287 4.182 4.477 . 0 0 "[ . 1 . 2 . 3]" 2
668 1 83 PHE HB3 1 84 ASN H 3.000 . 3.500 3.579 3.546 3.618 0.118 16 0 "[ . 1 . 2 . 3]" 2
669 1 83 PHE HA 1 84 ASN H 3.000 . 3.500 3.434 3.403 3.449 . 0 0 "[ . 1 . 2 . 3]" 2
670 1 83 PHE H 1 84 ASN H 2.500 . 2.900 2.390 2.302 2.530 . 0 0 "[ . 1 . 2 . 3]" 2
671 1 83 PHE HB3 1 85 SER H 4.000 . 5.000 4.933 4.888 5.009 0.009 5 0 "[ . 1 . 2 . 3]" 2
672 1 83 PHE HA 1 85 SER H 3.000 . 3.500 3.686 3.651 3.737 0.237 22 0 "[ . 1 . 2 . 3]" 2
673 1 84 ASN HB2 1 84 ASN HD21 3.000 . 3.300 2.258 2.239 2.325 . 0 0 "[ . 1 . 2 . 3]" 2
674 1 84 ASN H 1 84 ASN HB3 2.500 . 2.900 2.945 2.876 2.990 0.090 18 0 "[ . 1 . 2 . 3]" 2
675 1 84 ASN H 1 84 ASN HB2 2.500 . 2.900 2.166 2.132 2.231 . 0 0 "[ . 1 . 2 . 3]" 2
676 1 84 ASN HB3 1 85 SER H 3.000 . 3.500 3.186 2.994 3.309 . 0 0 "[ . 1 . 2 . 3]" 2
677 1 84 ASN HB2 1 85 SER H 3.000 . 3.500 3.553 3.507 3.583 0.083 15 0 "[ . 1 . 2 . 3]" 2
678 1 84 ASN HA 1 85 SER H 2.500 . 2.900 3.288 3.261 3.337 0.437 5 0 "[ . 1 . 2 . 3]" 2
679 1 84 ASN H 1 85 SER H 2.500 . 2.900 2.117 2.003 2.249 . 0 0 "[ . 1 . 2 . 3]" 2
680 1 85 SER H 1 85 SER QB 2.500 . 3.400 3.035 2.264 3.503 0.103 27 0 "[ . 1 . 2 . 3]" 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 74
_Distance_constraint_stats_list.Viol_count 555
_Distance_constraint_stats_list.Viol_total 6098.248
_Distance_constraint_stats_list.Viol_max 3.090
_Distance_constraint_stats_list.Viol_rms 0.3129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0916
_Distance_constraint_stats_list.Viol_average_violations_only 0.3663
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 GLN 0.009 0.004 6 0 "[ . 1 . 2 . 3]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 ILE 70.883 1.887 24 30 [*******************-***+******]
1 17 ALA 35.047 3.090 19 20 "[ * .****1* **** *+*-***.** *3]"
1 18 ARG 1.785 0.156 24 0 "[ . 1 . 2 . 3]"
1 19 PRO 4.580 0.234 14 0 "[ . 1 . 2 . 3]"
1 20 ALA 62.609 1.431 25 30 [******-*****************+*****]
1 21 MET 35.563 3.090 19 20 "[ * .****1* **** *+*-***.** *3]"
1 22 LYS 2.886 0.156 24 0 "[ . 1 . 2 . 3]"
1 23 LEU 4.586 0.234 14 0 "[ . 1 . 2 . 3]"
1 24 PHE 68.044 1.431 25 30 [******-*****************+*****]
1 25 GLU 0.515 0.148 7 0 "[ . 1 . 2 . 3]"
1 26 LEU 1.101 0.071 23 0 "[ . 1 . 2 . 3]"
1 27 MET 0.006 0.006 13 0 "[ . 1 . 2 . 3]"
1 28 GLN 5.434 0.239 16 0 "[ . 1 . 2 . 3]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 LEU 0.092 0.021 14 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.705 0.071 19 0 "[ . 1 . 2 . 3]"
1 37 ARG 3.023 0.321 10 0 "[ . 1 . 2 . 3]"
1 38 ASN 7.254 0.312 24 0 "[ . 1 . 2 . 3]"
1 42 THR 7.254 0.312 24 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.705 0.071 19 0 "[ . 1 . 2 . 3]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 ILE 0.471 0.085 5 0 "[ . 1 . 2 . 3]"
1 51 ALA 3.928 0.677 14 2 "[ - 1 +. 2 . 3]"
1 52 LEU 0.832 0.149 7 0 "[ . 1 . 2 . 3]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 MET 0.471 0.085 5 0 "[ . 1 . 2 . 3]"
1 55 LEU 3.928 0.677 14 2 "[ - 1 +. 2 . 3]"
1 56 ASP 0.832 0.149 7 0 "[ . 1 . 2 . 3]"
1 60 GLY 70.850 1.887 24 30 [*******************-***+******]
1 61 ARG 0.033 0.020 22 0 "[ . 1 . 2 . 3]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 GLU 3.023 0.321 10 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.009 0.004 6 0 "[ . 1 . 2 . 3]"
1 66 GLU 0.092 0.021 14 0 "[ . 1 . 2 . 3]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 GLU 0.003 0.003 20 0 "[ . 1 . 2 . 3]"
1 75 ALA 0.232 0.049 26 0 "[ . 1 . 2 . 3]"
1 76 LEU 0.039 0.034 17 0 "[ . 1 . 2 . 3]"
1 77 ALA 0.647 0.038 22 0 "[ . 1 . 2 . 3]"
1 78 ALA 1.680 0.083 10 0 "[ . 1 . 2 . 3]"
1 79 VAL 1.914 0.163 12 0 "[ . 1 . 2 . 3]"
1 80 ILE 0.759 0.069 24 0 "[ . 1 . 2 . 3]"
1 81 ALA 0.647 0.038 22 0 "[ . 1 . 2 . 3]"
1 82 LEU 1.677 0.083 10 0 "[ . 1 . 2 . 3]"
1 83 PHE 1.681 0.163 12 0 "[ . 1 . 2 . 3]"
1 84 ASN 0.721 0.069 24 0 "[ . 1 . 2 . 3]"
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 17 ALA O 1 21 MET N 3.000 2.200 3.300 4.238 2.336 6.390 3.090 19 20 "[ * .****1* **** *+*-***.** *3]" 3
2 1 18 ARG O 1 22 LYS N 3.000 2.200 3.300 3.064 2.424 3.328 0.028 24 0 "[ . 1 . 2 . 3]" 3
3 1 18 ARG O 1 22 LYS H 2.000 . 2.300 2.288 1.586 2.456 0.156 24 0 "[ . 1 . 2 . 3]" 3
4 1 19 PRO O 1 23 LEU N 3.000 2.200 3.300 3.262 2.604 3.450 0.150 14 0 "[ . 1 . 2 . 3]" 3
5 1 19 PRO O 1 23 LEU H 2.000 . 2.300 2.356 1.679 2.534 0.234 14 0 "[ . 1 . 2 . 3]" 3
6 1 20 ALA O 1 24 PHE N 3.000 2.200 3.300 4.271 3.803 4.548 1.248 25 30 [******-*****************+*****] 3
7 1 20 ALA O 1 24 PHE H 2.000 . 2.300 3.416 3.001 3.731 1.431 25 30 [************-***********+*****] 3
8 1 21 MET O 1 25 GLU N 3.000 2.200 3.300 3.104 2.853 3.348 0.048 21 0 "[ . 1 . 2 . 3]" 3
9 1 21 MET O 1 25 GLU H 2.000 . 2.300 2.181 1.928 2.448 0.148 7 0 "[ . 1 . 2 . 3]" 3
10 1 22 LYS O 1 26 LEU N 3.000 2.200 3.300 2.166 2.129 2.221 0.071 23 0 "[ . 1 . 2 . 3]" 3
11 1 22 LYS O 1 26 LEU H 2.000 . 2.300 1.270 1.179 1.405 0.021 11 0 "[ . 1 . 2 . 3]" 3
12 1 23 LEU O 1 27 MET N 3.000 2.200 3.300 2.470 2.194 2.721 0.006 13 0 "[ . 1 . 2 . 3]" 3
13 1 23 LEU O 1 27 MET H 2.000 . 2.300 1.906 1.404 2.216 . 0 0 "[ . 1 . 2 . 3]" 3
14 1 24 PHE O 1 28 GLN N 3.000 2.200 3.300 3.275 3.196 3.349 0.049 26 0 "[ . 1 . 2 . 3]" 3
15 1 24 PHE O 1 28 GLN H 2.000 . 2.300 2.476 2.408 2.539 0.239 16 0 "[ . 1 . 2 . 3]" 3
16 1 49 VAL O 1 53 LEU N 3.000 2.200 3.500 2.700 2.439 2.859 . 0 0 "[ . 1 . 2 . 3]" 3
17 1 49 VAL O 1 53 LEU H 2.000 . 2.500 1.779 1.548 1.982 . 0 0 "[ . 1 . 2 . 3]" 3
18 1 50 ILE O 1 54 MET N 3.000 2.200 3.500 2.951 2.374 3.463 . 0 0 "[ . 1 . 2 . 3]" 3
19 1 50 ILE O 1 54 MET H 2.000 . 2.500 2.126 1.551 2.585 0.085 5 0 "[ . 1 . 2 . 3]" 3
20 1 51 ALA O 1 55 LEU N 3.000 2.200 3.500 3.348 3.054 3.902 0.402 5 0 "[ . 1 . 2 . 3]" 3
21 1 51 ALA O 1 55 LEU H 2.000 . 2.500 2.475 2.190 3.177 0.677 14 2 "[ - 1 +. 2 . 3]" 3
22 1 52 LEU O 1 56 ASP N 3.000 2.200 3.500 2.940 2.337 3.341 . 0 0 "[ . 1 . 2 . 3]" 3
23 1 52 LEU O 1 56 ASP H 2.000 . 2.500 2.290 1.628 2.649 0.149 7 0 "[ . 1 . 2 . 3]" 3
24 1 72 GLU O 1 76 LEU N 3.000 2.200 3.800 2.686 2.534 3.266 . 0 0 "[ . 1 . 2 . 3]" 3
25 1 72 GLU O 1 76 LEU H 2.000 . 2.800 1.722 1.566 2.331 . 0 0 "[ . 1 . 2 . 3]" 3
26 1 73 GLU O 1 77 ALA N 3.000 2.200 3.800 2.346 2.212 3.191 . 0 0 "[ . 1 . 2 . 3]" 3
27 1 73 GLU O 1 77 ALA H 2.000 . 2.800 1.491 1.341 2.490 . 0 0 "[ . 1 . 2 . 3]" 3
28 1 74 GLU O 1 78 ALA N 3.000 2.200 3.300 2.631 2.363 2.887 . 0 0 "[ . 1 . 2 . 3]" 3
29 1 74 GLU O 1 78 ALA H 2.000 . 2.300 2.055 1.740 2.303 0.003 20 0 "[ . 1 . 2 . 3]" 3
30 1 75 ALA O 1 79 VAL N 3.000 2.200 3.300 3.135 2.960 3.244 . 0 0 "[ . 1 . 2 . 3]" 3
31 1 75 ALA O 1 79 VAL H 2.000 . 2.300 2.257 2.090 2.349 0.049 26 0 "[ . 1 . 2 . 3]" 3
32 1 76 LEU O 1 80 ILE N 3.000 2.200 3.300 3.024 2.690 3.272 . 0 0 "[ . 1 . 2 . 3]" 3
33 1 76 LEU O 1 80 ILE H 2.000 . 2.300 2.090 1.718 2.334 0.034 17 0 "[ . 1 . 2 . 3]" 3
34 1 77 ALA O 1 81 ALA N 3.000 2.200 3.300 3.290 3.241 3.315 0.015 22 0 "[ . 1 . 2 . 3]" 3
35 1 77 ALA O 1 81 ALA H 2.000 . 2.300 2.320 2.299 2.338 0.038 22 0 "[ . 1 . 2 . 3]" 3
36 1 78 ALA O 1 82 LEU N 3.000 2.200 3.300 3.356 3.327 3.383 0.083 10 0 "[ . 1 . 2 . 3]" 3
37 1 79 VAL O 1 83 PHE N 3.000 2.200 3.300 2.153 2.037 2.274 0.163 12 0 "[ . 1 . 2 . 3]" 3
38 1 80 ILE O 1 84 ASN N 3.000 2.200 3.300 2.176 2.131 2.204 0.069 24 0 "[ . 1 . 2 . 3]" 3
39 1 37 ARG O 1 64 GLU N 3.000 2.200 3.300 2.369 2.238 2.516 . 0 0 "[ . 1 . 2 . 3]" 3
40 1 37 ARG O 1 64 GLU H 2.000 . 2.300 1.411 1.287 1.542 . 0 0 "[ . 1 . 2 . 3]" 3
41 1 37 ARG N 1 64 GLU O 3.000 2.200 3.300 3.169 3.056 3.443 0.143 10 0 "[ . 1 . 2 . 3]" 3
42 1 37 ARG H 1 64 GLU O 2.000 . 2.300 2.396 2.327 2.621 0.321 10 0 "[ . 1 . 2 . 3]" 3
43 1 35 LEU O 1 66 GLU N 3.000 2.200 3.800 2.703 2.561 2.982 . 0 0 "[ . 1 . 2 . 3]" 3
44 1 35 LEU O 1 66 GLU H 2.000 . 2.800 1.891 1.721 2.262 . 0 0 "[ . 1 . 2 . 3]" 3
45 1 35 LEU N 1 66 GLU O 3.000 2.200 3.800 2.261 2.179 2.402 0.021 14 0 "[ . 1 . 2 . 3]" 3
46 1 35 LEU H 1 66 GLU O 2.000 . 2.800 1.345 1.271 1.489 . 0 0 "[ . 1 . 2 . 3]" 3
47 1 33 GLU O 1 68 THR N 3.000 2.200 3.800 3.124 3.059 3.185 . 0 0 "[ . 1 . 2 . 3]" 3
48 1 33 GLU O 1 68 THR H 2.000 . 2.800 2.543 2.489 2.600 . 0 0 "[ . 1 . 2 . 3]" 3
49 1 33 GLU N 1 68 THR O 3.000 2.200 3.800 2.920 2.738 3.064 . 0 0 "[ . 1 . 2 . 3]" 3
50 1 33 GLU H 1 68 THR O 2.000 . 2.800 2.048 1.917 2.163 . 0 0 "[ . 1 . 2 . 3]" 3
51 1 9 ILE N 1 61 ARG O 3.000 2.200 3.800 3.364 2.855 3.771 . 0 0 "[ . 1 . 2 . 3]" 3
52 1 9 ILE H 1 61 ARG O 2.000 . 2.800 2.469 1.899 2.820 0.020 22 0 "[ . 1 . 2 . 3]" 3
53 1 9 ILE O 1 60 GLY N 3.000 2.200 3.300 4.205 3.702 4.766 1.466 9 29 [********+**********-****.*****] 3
54 1 9 ILE O 1 60 GLY H 2.000 . 2.300 3.757 3.352 4.187 1.887 24 30 [***********************+-*****] 3
55 1 5 GLN N 1 65 VAL O 3.000 2.200 3.800 2.438 2.400 2.483 . 0 0 "[ . 1 . 2 . 3]" 3
56 1 5 GLN H 1 65 VAL O 2.000 . 2.800 1.618 1.558 1.700 . 0 0 "[ . 1 . 2 . 3]" 3
57 1 5 GLN O 1 65 VAL N 3.000 2.200 3.300 2.272 2.196 2.358 0.004 6 0 "[ . 1 . 2 . 3]" 3
58 1 5 GLN O 1 65 VAL H 2.000 . 2.300 1.334 1.244 1.406 . 0 0 "[ . 1 . 2 . 3]" 3
59 1 7 VAL N 1 63 ILE O 3.000 2.200 3.600 2.530 2.422 2.694 . 0 0 "[ . 1 . 2 . 3]" 3
60 1 7 VAL H 1 63 ILE O 2.000 . 2.600 1.798 1.574 2.067 . 0 0 "[ . 1 . 2 . 3]" 3
61 1 7 VAL O 1 63 ILE N 3.000 2.200 3.300 2.910 2.614 3.087 . 0 0 "[ . 1 . 2 . 3]" 3
62 1 7 VAL O 1 63 ILE H 2.000 . 2.300 1.944 1.668 2.118 . 0 0 "[ . 1 . 2 . 3]" 3
63 1 3 VAL N 1 67 ALA O 3.000 2.200 3.300 2.869 2.756 2.937 . 0 0 "[ . 1 . 2 . 3]" 3
64 1 3 VAL H 1 67 ALA O 2.000 . 2.300 1.919 1.822 1.975 . 0 0 "[ . 1 . 2 . 3]" 3
65 1 3 VAL O 1 67 ALA N 3.000 2.200 3.300 2.429 2.380 2.481 . 0 0 "[ . 1 . 2 . 3]" 3
66 1 3 VAL O 1 67 ALA H 2.000 . 2.300 1.505 1.444 1.557 . 0 0 "[ . 1 . 2 . 3]" 3
67 1 36 LEU N 1 44 ALA O 3.000 2.200 3.300 2.467 2.318 2.658 . 0 0 "[ . 1 . 2 . 3]" 3
68 1 36 LEU H 1 44 ALA O 2.000 . 2.300 1.624 1.433 1.837 . 0 0 "[ . 1 . 2 . 3]" 3
69 1 36 LEU O 1 44 ALA N 3.000 2.200 3.300 2.179 2.129 2.244 0.071 19 0 "[ . 1 . 2 . 3]" 3
70 1 36 LEU O 1 44 ALA H 2.000 . 2.300 1.356 1.294 1.425 . 0 0 "[ . 1 . 2 . 3]" 3
71 1 38 ASN N 1 42 THR O 3.000 2.200 3.300 2.521 2.336 2.701 . 0 0 "[ . 1 . 2 . 3]" 3
72 1 38 ASN H 1 42 THR O 2.000 . 2.300 1.631 1.446 1.828 . 0 0 "[ . 1 . 2 . 3]" 3
73 1 38 ASN O 1 42 THR N 3.000 2.200 3.300 3.210 3.067 3.298 . 0 0 "[ . 1 . 2 . 3]" 3
74 1 38 ASN O 1 42 THR H 2.000 . 2.300 2.542 2.464 2.612 0.312 24 0 "[ . 1 . 2 . 3]" 3
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