NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392501 |
1pzr   |
5885 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pzr
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 934
_Distance_constraint_stats_list.Viol_count 1600
_Distance_constraint_stats_list.Viol_total 19115.793
_Distance_constraint_stats_list.Viol_max 28.765
_Distance_constraint_stats_list.Viol_rms 1.7587
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4177
_Distance_constraint_stats_list.Viol_average_violations_only 1.7068
_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 6 LEU 26.575 2.640 5 7 [***-+**]
1 7 PHE 29.347 2.571 3 7 [**+****]
1 8 SER 154.500 4.821 2 7 [*+-****]
1 9 MET 24.986 1.100 2 7 [*+**-**]
1 10 LEU 431.270 12.163 6 7 [*****+*]
1 11 ASP 0.000 0.000 . 0 "[ . ]"
1 12 GLN 28.196 3.056 2 7 [*+-****]
1 13 ARG 124.352 12.251 1 7 [+-*****]
1 14 PHE 129.643 7.460 1 7 [+**-***]
1 15 GLY 0.000 0.000 . 0 "[ . ]"
1 16 GLY 1.382 0.409 2 0 "[ . ]"
1 18 GLU 181.623 7.515 5 7 [**-*+**]
1 19 ASP 1.937 0.352 1 0 "[ . ]"
1 20 LEU 319.437 12.251 1 7 [+******]
1 21 LEU 777.570 16.168 1 7 [+**-***]
1 22 MET 112.221 11.111 6 7 [*****+-]
1 23 SER 80.540 6.114 2 7 [-+*****]
1 24 GLY 93.321 6.861 2 7 [*+-****]
1 25 ASP 160.580 24.501 7 7 [*****-+]
1 26 ASN 1.063 0.249 5 0 "[ . ]"
1 27 GLY 0.421 0.228 7 0 "[ . ]"
1 28 MET 1.180 0.503 3 1 "[ + . ]"
1 29 THR 0.268 0.133 4 0 "[ . ]"
1 30 GLU 10.222 1.552 4 7 [**-+***]
1 31 GLU 1.276 0.826 7 1 "[ . +]"
1 32 LYS 13.672 2.142 7 7 [****-*+]
1 33 LEU 101.263 12.468 3 7 [**+****]
1 34 ARG 0.000 0.000 . 0 "[ . ]"
1 35 ARG 16.950 2.142 7 7 [****-*+]
1 36 TYR 37.877 2.941 3 7 [**+-***]
1 37 LEU 172.072 11.402 6 7 [*****+*]
1 38 LYS 14.229 0.909 3 6 "[**+ *-*]"
1 39 ARG 5.670 0.628 3 2 "[ + . -]"
1 40 THR 3.986 0.795 4 3 "[* +.- ]"
1 41 VAL 3.404 0.621 2 4 "[*+ *- ]"
1 42 THR 0.000 0.000 . 0 "[ . ]"
1 43 GLU 0.099 0.033 5 0 "[ . ]"
1 44 LEU 297.896 16.168 1 7 [+*****-]
1 45 ASP 5.364 0.722 3 7 [**+***-]
1 46 SER 0.912 0.099 3 0 "[ . ]"
1 47 VAL 151.885 24.501 7 7 [******+]
1 48 THR 0.110 0.026 7 0 "[ . ]"
1 49 ALA 0.214 0.038 7 0 "[ . ]"
1 50 ARG 0.672 0.104 3 0 "[ . ]"
1 51 LEU 32.300 3.487 1 7 [+**-***]
1 52 ARG 31.856 3.487 1 7 [+**-***]
1 53 GLU 0.005 0.005 6 0 "[ . ]"
1 57 ARG 4.794 1.018 3 6 "[**+-** ]"
1 60 GLU 171.172 28.765 3 7 [**+**-*]
2 1 ALA 171.172 28.765 3 7 [**+**-*]
2 2 SER 2.418 0.713 6 1 "[ .+ ]"
2 3 ASP 3.260 0.713 6 1 "[ .+ ]"
2 4 ASP 4.304 0.602 2 6 "[*+**-* ]"
2 5 GLU 0.274 0.274 6 0 "[ . ]"
2 6 LEU 41.596 6.779 6 7 [****-+*]
2 7 PHE 84.471 6.261 6 7 [****-+*]
2 8 SER 0.081 0.081 4 0 "[ . ]"
2 9 MET 151.123 8.710 7 7 [-*****+]
2 10 LEU 138.093 5.649 2 7 [-+*****]
2 11 ASP 0.243 0.118 3 0 "[ . ]"
2 12 GLN 2.612 0.943 4 1 "[ +. ]"
2 13 ARG 2.861 0.759 7 1 "[ . +]"
2 14 PHE 47.807 4.321 7 7 [-*****+]
2 15 GLY 0.219 0.053 4 0 "[ . ]"
2 16 GLY 0.126 0.078 3 0 "[ . ]"
2 17 GLY 0.000 0.000 . 0 "[ . ]"
2 18 GLU 2.082 0.779 1 2 "[+ - . ]"
2 19 ASP 0.755 0.352 7 0 "[ . ]"
2 20 LEU 0.862 0.352 7 0 "[ . ]"
2 21 LEU 1.014 0.526 6 1 "[ .+ ]"
2 22 MET 0.000 0.000 . 0 "[ . ]"
2 23 SER 1.290 0.526 6 1 "[ .+ ]"
2 24 GLY 0.707 0.263 7 0 "[ . ]"
2 25 ASP 2.086 0.741 5 2 "[ -+ ]"
2 26 ASN 1.449 0.741 5 2 "[ -+ ]"
2 27 GLY 0.000 0.000 . 0 "[ . ]"
2 28 MET 4.278 0.249 4 0 "[ . ]"
2 29 THR 1.472 0.249 4 0 "[ . ]"
2 30 GLU 5.441 1.016 2 4 "[-+ *.* ]"
2 31 GLU 0.385 0.065 3 0 "[ . ]"
2 32 LYS 4.086 0.874 3 2 "[ +-. ]"
2 33 LEU 10.742 1.399 4 5 "[-**+.* ]"
2 34 ARG 4.656 1.399 4 4 "[ **+- ]"
2 35 ARG 1.227 0.217 2 0 "[ . ]"
2 36 TYR 44.968 3.642 5 7 [***-+**]
2 37 LEU 41.875 2.135 3 7 [**+*-**]
2 38 LYS 1.221 0.647 1 1 "[+ . ]"
2 39 ARG 21.417 2.667 1 7 [+******]
2 40 THR 56.093 2.344 5 7 [**-*+**]
2 41 VAL 341.748 6.779 6 7 [****-+*]
2 42 THR 68.212 8.710 7 7 [**-***+]
2 43 GLU 18.015 1.202 4 7 [***+**-]
2 44 LEU 126.134 4.321 7 7 [****-*+]
2 45 ASP 28.031 3.878 3 7 [**+**-*]
2 46 SER 6.176 1.037 1 7 [+****-*]
2 47 VAL 43.689 2.432 6 7 [**-**+*]
2 48 THR 16.184 1.038 6 7 [****-+*]
2 49 ALA 5.493 0.449 1 0 "[ . ]"
2 50 ARG 5.492 1.038 6 2 "[ -.+ ]"
2 51 LEU 38.765 2.432 6 7 [***-*+*]
2 52 ARG 0.662 0.508 6 1 "[ .+ ]"
2 53 GLU 2.083 0.281 2 0 "[ . ]"
2 54 VAL 10.061 3.190 3 2 "[ *+ . ]"
2 55 GLU 19.705 2.713 6 6 "[* ***+*]"
2 56 HIS 2.234 0.817 2 1 "[ + . ]"
2 57 ARG 2.911 0.817 2 1 "[ + . ]"
2 58 ALA 19.267 3.190 3 7 [-*+****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 LEU QD 1 22 MET H 5.000 . 5.000 12.533 9.596 16.111 11.111 6 7 [*****+-] 1
2 2 33 LEU QD 2 34 ARG H 5.000 . 5.000 4.041 3.914 4.289 . 0 0 "[ . ]" 1
3 2 40 THR MG 2 41 VAL H 5.000 . 5.000 3.331 1.799 4.032 . 0 0 "[ . ]" 1
4 2 41 VAL H 2 41 VAL HB . . 3.500 2.590 2.129 3.640 0.140 1 0 "[ . ]" 1
5 2 44 LEU H 2 44 LEU QB . . 3.500 2.236 2.153 2.548 . 0 0 "[ . ]" 1
6 2 47 VAL H 2 51 LEU QD 5.000 . 5.000 6.422 6.266 6.553 1.553 6 7 [-****+*] 1
7 2 48 THR H 2 51 LEU QD 5.000 . 5.000 4.816 4.688 4.980 . 0 0 "[ . ]" 1
8 2 51 LEU H 2 51 LEU QD 5.000 . 5.000 3.694 3.613 3.731 . 0 0 "[ . ]" 1
9 2 51 LEU QD 2 52 ARG H 5.000 . 5.000 3.805 3.451 3.947 . 0 0 "[ . ]" 1
10 2 51 LEU QD 2 54 VAL H 5.000 . 5.000 4.218 4.120 4.446 . 0 0 "[ . ]" 1
11 2 51 LEU H 2 54 VAL QG 5.000 . 5.000 4.104 3.671 4.520 . 0 0 "[ . ]" 1
12 2 54 VAL H 2 55 GLU QB 5.000 . 5.000 5.177 5.117 5.258 0.258 5 0 "[ . ]" 1
13 1 6 LEU HA 1 6 LEU HB3 2.800 . 2.800 2.511 2.477 2.569 . 0 0 "[ . ]" 1
14 1 7 PHE HA 1 7 PHE QB 2.800 . 2.800 2.369 2.360 2.380 . 0 0 "[ . ]" 1
15 1 7 PHE HA 1 8 SER HG 5.000 . 5.000 7.155 6.814 7.571 2.571 3 7 [**+***-] 1
16 1 6 LEU HA 1 7 PHE QB 5.000 . 5.000 5.441 5.422 5.455 0.455 1 0 "[ . ]" 1
17 1 6 LEU HB3 1 7 PHE QB 5.000 . 5.000 5.253 5.053 5.310 0.310 5 0 "[ . ]" 1
18 1 7 PHE QB 1 8 SER HA 5.000 . 5.000 3.967 3.888 4.017 . 0 0 "[ . ]" 1
19 1 6 LEU HA 1 7 PHE H . . 2.800 3.517 3.511 3.522 0.722 3 7 [**+-***] 1
20 1 6 LEU HB3 1 7 PHE H 5.000 . 5.000 3.506 3.316 3.586 . 0 0 "[ . ]" 1
21 1 7 PHE H 1 7 PHE QB . . 2.800 2.373 2.347 2.400 . 0 0 "[ . ]" 1
22 1 8 SER HA 1 8 SER HG 2.800 . 2.800 2.782 2.317 3.580 0.780 3 1 "[ + . ]" 1
23 1 8 SER HA 1 9 MET QB 5.000 . 5.000 5.604 5.586 5.626 0.626 3 7 [**+***-] 1
24 1 8 SER HA 1 12 GLN QB 5.000 . 5.000 5.752 5.446 6.031 1.031 5 5 "[**- +* ]" 1
25 1 6 LEU HA 1 8 SER HG 5.000 . 5.000 7.385 7.088 7.640 2.640 5 7 [****+*-] 1
26 1 8 SER HG 1 9 MET HA 5.000 . 5.000 4.743 3.739 5.392 0.392 2 0 "[ . ]" 1
27 1 8 SER HG 1 9 MET QB 5.000 . 5.000 5.647 4.882 6.069 1.069 2 5 "[*+**.- ]" 1
28 1 8 SER HG 1 13 ARG QD 5.000 . 5.000 8.427 6.612 9.821 4.821 2 7 [*+****-] 1
29 1 6 LEU HA 1 8 SER H 5.000 . 5.000 4.022 3.899 4.349 . 0 0 "[ . ]" 1
30 1 7 PHE HA 1 8 SER H 2.800 . 2.800 3.426 3.398 3.477 0.677 5 7 [**-*+**] 1
31 1 8 SER H 1 8 SER HA 2.800 . 2.800 2.823 2.790 2.845 0.045 3 0 "[ . ]" 1
32 1 8 SER H 1 8 SER HG . . 2.800 4.320 4.219 4.447 1.647 3 7 [**+***-] 1
33 1 8 SER H 1 10 LEU QD 5.000 . 5.000 4.481 4.310 4.659 . 0 0 "[ . ]" 1
34 1 8 SER HA 1 9 MET HA 5.000 . 5.000 4.778 4.762 4.792 . 0 0 "[ . ]" 1
35 1 9 MET HA 1 9 MET QB 2.800 . 2.800 2.177 2.172 2.181 . 0 0 "[ . ]" 1
36 1 8 SER HA 1 9 MET H 2.800 . 2.800 3.573 3.567 3.581 0.781 6 7 [**-**+*] 1
37 1 8 SER HG 1 9 MET H . . 3.500 4.214 3.566 4.600 1.100 2 6 "[*+**-* ]" 1
38 1 9 MET H 1 9 MET QB 3.500 . 3.500 2.674 2.641 2.725 . 0 0 "[ . ]" 1
39 1 9 MET H 1 10 LEU QD 5.000 . 5.000 4.481 4.385 4.526 . 0 0 "[ . ]" 1
40 1 10 LEU HA 1 10 LEU QD 2.800 . 2.800 1.897 1.861 1.950 . 0 0 "[ . ]" 1
41 1 6 LEU HB3 1 10 LEU QD 5.000 . 5.000 3.307 3.170 3.436 . 0 0 "[ . ]" 1
42 1 6 LEU HB2 1 10 LEU QD 5.000 . 5.000 4.045 3.935 4.200 . 0 0 "[ . ]" 1
43 1 7 PHE HA 1 10 LEU QD 5.000 . 5.000 1.835 1.635 2.012 . 0 0 "[ . ]" 1
44 1 7 PHE QB 1 10 LEU QD 3.500 . 3.500 3.286 3.090 3.403 . 0 0 "[ . ]" 1
45 1 10 LEU QD 1 13 ARG QD 3.500 . 3.500 3.263 2.703 3.929 0.429 4 0 "[ . ]" 1
46 1 8 SER HA 1 10 LEU H 5.000 . 5.000 4.155 4.080 4.216 . 0 0 "[ . ]" 1
47 1 8 SER HG 1 10 LEU H 5.000 . 5.000 5.877 5.177 6.447 1.447 4 5 "[***+.- ]" 1
48 1 9 MET QB 1 10 LEU H . . 3.500 3.360 3.314 3.431 . 0 0 "[ . ]" 1
49 1 10 LEU H 1 10 LEU QD . . 3.500 2.941 2.887 2.983 . 0 0 "[ . ]" 1
50 1 11 ASP H 1 12 GLN QB 5.000 . 5.000 4.551 4.397 4.678 . 0 0 "[ . ]" 1
51 1 12 GLN HA 1 12 GLN QB . . 2.800 2.382 2.356 2.409 . 0 0 "[ . ]" 1
52 1 8 SER HG 1 12 GLN QB 3.500 . 3.500 5.573 4.307 6.556 3.056 2 7 [*+****-] 1
53 1 10 LEU HA 1 12 GLN QB 5.000 . 5.000 5.016 4.832 5.187 0.187 6 0 "[ . ]" 1
54 1 12 GLN QB 1 13 ARG HB2 5.000 . 5.000 4.541 4.381 4.640 . 0 0 "[ . ]" 1
55 1 12 GLN QB 1 13 ARG QG 3.500 . 3.500 3.719 3.208 4.439 0.939 7 3 "[ *-. +]" 1
56 1 8 SER HG 1 12 GLN H 5.000 . 5.000 5.351 4.451 6.202 1.202 4 3 "[ -*+. ]" 1
57 1 9 MET QB 1 12 GLN H 5.000 . 5.000 4.706 4.563 4.838 . 0 0 "[ . ]" 1
58 1 10 LEU HA 1 12 GLN H 5.000 . 5.000 4.124 3.992 4.271 . 0 0 "[ . ]" 1
59 1 10 LEU QD 1 12 GLN H 5.000 . 5.000 5.187 5.111 5.274 0.274 6 0 "[ . ]" 1
60 1 12 GLN H 1 12 GLN QB . . 2.800 2.307 2.257 2.362 . 0 0 "[ . ]" 1
61 1 13 ARG HA 1 13 ARG QG 3.500 . 3.500 2.388 2.363 2.430 . 0 0 "[ . ]" 1
62 1 13 ARG HB3 1 13 ARG QD 3.500 . 3.500 2.771 2.358 3.309 . 0 0 "[ . ]" 1
63 1 10 LEU HA 1 13 ARG QD 5.000 . 5.000 3.075 2.945 3.220 . 0 0 "[ . ]" 1
64 1 13 ARG QD 1 20 LEU QB . . 3.500 13.649 11.214 15.751 12.251 1 7 [+*-****] 1
65 1 10 LEU HA 1 13 ARG QG 5.000 . 5.000 3.767 3.519 4.147 . 0 0 "[ . ]" 1
66 1 10 LEU QD 1 13 ARG QG 3.500 . 3.500 4.110 3.909 4.254 0.754 5 5 "[*- *+* ]" 1
67 1 8 SER HG 1 13 ARG H 5.000 . 5.000 7.685 6.789 8.583 3.583 4 7 [***+**-] 1
68 1 10 LEU HA 1 13 ARG H . . 3.500 3.220 3.171 3.280 . 0 0 "[ . ]" 1
69 1 10 LEU QD 1 13 ARG H 5.000 . 5.000 4.591 4.554 4.641 . 0 0 "[ . ]" 1
70 1 12 GLN HA 1 13 ARG H 5.000 . 5.000 3.474 3.459 3.495 . 0 0 "[ . ]" 1
71 1 12 GLN QB 1 13 ARG H . . 3.500 2.675 2.596 2.752 . 0 0 "[ . ]" 1
72 1 13 ARG H 1 13 ARG HB3 3.500 . 3.500 3.550 3.533 3.566 0.066 2 0 "[ . ]" 1
73 1 13 ARG H 1 13 ARG QD 5.000 . 5.000 3.130 2.143 3.884 . 0 0 "[ . ]" 1
74 1 13 ARG H 1 13 ARG QG . . 2.800 2.863 2.348 3.495 0.695 7 3 "[ -*. +]" 1
75 1 13 ARG H 1 14 PHE QB 5.000 . 5.000 4.359 4.288 4.433 . 0 0 "[ . ]" 1
76 1 14 PHE HA 1 14 PHE QD 2.800 . 2.800 2.189 2.021 2.332 . 0 0 "[ . ]" 1
77 1 14 PHE QB 1 14 PHE QD 2.800 . 2.800 2.302 2.286 2.320 . 0 0 "[ . ]" 1
78 1 14 PHE QD 1 37 LEU QB 2.800 . 2.800 8.228 7.737 8.574 5.774 3 7 [**+*-**] 1
79 1 13 ARG HB2 1 14 PHE QD 3.500 . 3.500 3.000 2.818 3.318 . 0 0 "[ . ]" 1
80 1 14 PHE QD 1 36 TYR QD 5.000 . 5.000 4.270 3.940 4.624 . 0 0 "[ . ]" 1
81 1 14 PHE QD 1 36 TYR QB . . 2.800 5.411 4.999 5.741 2.941 3 7 [**+*-**] 1
82 1 13 ARG HB3 1 14 PHE H 3.500 . 3.500 3.456 3.339 3.536 0.036 6 0 "[ . ]" 1
83 1 13 ARG HB2 1 14 PHE H 5.000 . 5.000 2.586 2.508 2.691 . 0 0 "[ . ]" 1
84 1 14 PHE H 1 14 PHE HA . . 2.800 2.839 2.832 2.848 0.048 2 0 "[ . ]" 1
85 1 14 PHE H 1 14 PHE QB 3.500 . 3.500 2.317 2.270 2.349 . 0 0 "[ . ]" 1
86 1 14 PHE H 1 14 PHE QD . . 2.800 2.578 2.364 2.755 . 0 0 "[ . ]" 1
87 1 12 GLN HA 1 15 GLY H 5.000 . 5.000 3.562 3.393 3.775 . 0 0 "[ . ]" 1
88 1 14 PHE QB 1 15 GLY H . . 3.500 2.994 2.962 3.111 . 0 0 "[ . ]" 1
89 1 14 PHE QD 1 15 GLY H 5.000 . 5.000 4.389 4.272 4.461 . 0 0 "[ . ]" 1
90 1 12 GLN HA 1 16 GLY H 5.000 . 5.000 3.660 2.419 5.409 0.409 2 0 "[ . ]" 1
91 1 14 PHE QB 1 16 GLY H 5.000 . 5.000 4.999 4.132 5.404 0.404 5 0 "[ . ]" 1
92 1 18 GLU HA 1 21 LEU QB . . 3.500 9.293 8.092 9.719 6.219 7 7 [*-****+] 1
93 1 18 GLU HA 1 21 LEU QD . . 3.500 7.614 6.269 8.659 5.159 1 7 [+-*****] 1
94 1 18 GLU HA 1 21 LEU HG 5.000 . 5.000 10.844 9.280 12.515 7.515 5 7 [***-+**] 1
95 1 18 GLU HA 1 18 GLU QB 2.800 . 2.800 2.278 2.149 2.382 . 0 0 "[ . ]" 1
96 1 14 PHE HA 1 18 GLU H 5.000 . 5.000 10.394 8.257 12.460 7.460 1 7 [+*-****] 1
97 1 18 GLU H 1 18 GLU HB3 3.500 . 3.500 3.517 2.727 4.078 0.578 2 2 "[ +- . ]" 1
98 1 18 GLU H 1 18 GLU HB2 3.500 . 3.500 3.356 2.458 3.960 0.460 5 0 "[ . ]" 1
99 1 18 GLU H 1 18 GLU HG3 5.000 . 5.000 2.946 1.737 4.441 . 0 0 "[ . ]" 1
100 1 18 GLU H 1 18 GLU HG2 5.000 . 5.000 3.542 2.925 4.344 . 0 0 "[ . ]" 1
101 1 18 GLU HA 1 19 ASP HA 5.000 . 5.000 4.697 4.540 4.839 . 0 0 "[ . ]" 1
102 1 19 ASP HA 1 19 ASP QB 2.800 . 2.800 2.399 2.386 2.411 . 0 0 "[ . ]" 1
103 1 19 ASP QB 1 20 LEU HA 5.000 . 5.000 3.820 3.745 3.906 . 0 0 "[ . ]" 1
104 1 18 GLU HA 1 19 ASP H 5.000 . 5.000 2.856 2.265 3.525 . 0 0 "[ . ]" 1
105 1 18 GLU HB3 1 19 ASP H 3.500 . 3.500 2.740 1.605 3.243 . 0 0 "[ . ]" 1
106 1 18 GLU HG3 1 19 ASP H 5.000 . 5.000 3.969 2.462 4.747 . 0 0 "[ . ]" 1
107 1 18 GLU HG2 1 19 ASP H 5.000 . 5.000 3.917 3.616 4.599 . 0 0 "[ . ]" 1
108 1 19 ASP H 1 19 ASP HA 2.800 . 2.800 2.792 2.705 2.887 0.087 1 0 "[ . ]" 1
109 1 19 ASP H 1 19 ASP QB 2.800 . 2.800 2.866 2.472 3.012 0.212 3 0 "[ . ]" 1
110 1 19 ASP H 1 20 LEU QB 5.000 . 5.000 4.099 3.629 4.779 . 0 0 "[ . ]" 1
111 1 20 LEU HA 1 20 LEU QB 2.800 . 2.800 2.343 2.162 2.411 . 0 0 "[ . ]" 1
112 1 20 LEU HA 1 23 SER QB 3.500 . 3.500 7.744 5.816 9.614 6.114 2 7 [*+-****] 1
113 1 10 LEU HA 1 20 LEU QB 5.000 . 5.000 13.597 11.727 15.359 10.359 1 7 [+*-****] 1
114 1 10 LEU QD 1 20 LEU QB 2.800 . 2.800 11.086 9.212 12.694 9.894 1 7 [+**-***] 1
115 1 18 GLU HA 1 20 LEU H 5.000 . 5.000 4.463 4.172 4.646 . 0 0 "[ . ]" 1
116 1 19 ASP QB 1 20 LEU H . . 2.800 2.028 1.753 2.263 . 0 0 "[ . ]" 1
117 1 20 LEU H 1 20 LEU HA 2.800 . 2.800 2.725 2.267 2.829 0.029 6 0 "[ . ]" 1
118 1 20 LEU H 1 20 LEU QB 2.800 . 2.800 2.586 2.401 3.210 0.410 4 0 "[ . ]" 1
119 1 10 LEU QD 1 21 LEU HA 3.500 . 3.500 12.899 10.015 15.663 12.163 6 7 [*****+-] 1
120 1 21 LEU HA 1 21 LEU QB . . 2.800 2.390 2.292 2.458 . 0 0 "[ . ]" 1
121 1 21 LEU HA 1 21 LEU QD . . 2.800 1.979 1.857 2.066 . 0 0 "[ . ]" 1
122 1 21 LEU HA 1 21 LEU HG 3.500 . 3.500 3.471 3.013 3.754 0.254 6 0 "[ . ]" 1
123 1 10 LEU QD 1 21 LEU QB 3.500 . 3.500 12.111 9.572 15.150 11.650 6 7 [***-*+*] 1
124 1 20 LEU QB 1 21 LEU QB 3.500 . 3.500 4.370 4.238 4.496 0.996 7 7 [-*****+] 1
125 1 21 LEU QB 1 21 LEU QD 2.800 . 2.800 1.973 1.901 2.050 . 0 0 "[ . ]" 1
126 1 21 LEU QB 1 21 LEU HG 2.800 . 2.800 2.243 2.160 2.363 . 0 0 "[ . ]" 1
127 1 21 LEU MD1 1 21 LEU MD2 2.800 . 2.800 1.968 1.870 2.057 . 0 0 "[ . ]" 1
128 1 21 LEU QD 1 44 LEU HA 5.000 . 5.000 18.040 13.373 21.168 16.168 1 7 [+**-***] 1
129 1 21 LEU QD 1 44 LEU QB 5.000 . 5.000 16.212 11.857 18.933 13.933 1 7 [+**-***] 1
130 1 10 LEU HA 1 21 LEU QD 5.000 . 5.000 12.467 9.923 14.865 9.865 6 7 [*****+-] 1
131 1 10 LEU QD 1 21 LEU QD 2.800 . 2.800 9.934 7.466 12.173 9.373 6 7 [***-*+*] 1
132 1 20 LEU QB 1 21 LEU QD 5.000 . 5.000 4.438 3.791 5.113 0.113 1 0 "[ . ]" 1
133 1 21 LEU QD 1 22 MET HA 5.000 . 5.000 5.031 4.279 5.543 0.543 4 1 "[ +. ]" 1
134 1 21 LEU QD 1 33 LEU HA 5.000 . 5.000 13.855 8.744 17.468 12.468 3 7 [**+-***] 1
135 1 21 LEU QD 1 37 LEU QD 3.500 . 3.500 12.247 8.026 14.902 11.402 6 7 [***-*+*] 1
136 1 20 LEU HA 1 21 LEU H 5.000 . 5.000 2.192 2.165 2.209 . 0 0 "[ . ]" 1
137 1 20 LEU QB 1 21 LEU H . . 2.800 2.924 2.886 2.946 0.146 4 0 "[ . ]" 1
138 1 21 LEU H 1 21 LEU HA . . 2.800 2.810 2.786 2.843 0.043 6 0 "[ . ]" 1
139 1 21 LEU H 1 21 LEU QB . . 2.800 2.293 2.129 2.546 . 0 0 "[ . ]" 1
140 1 21 LEU H 1 21 LEU QD 3.500 . 3.500 2.551 1.578 3.470 . 0 0 "[ . ]" 1
141 1 21 LEU H 1 21 LEU HG 5.000 . 5.000 3.529 2.003 4.520 . 0 0 "[ . ]" 1
142 1 21 LEU H 1 22 MET QG 5.000 . 5.000 5.664 4.175 7.161 2.161 2 4 "[*+* . -]" 1
143 1 21 LEU H 1 23 SER QB 5.000 . 5.000 6.426 5.721 7.696 2.696 2 7 [*+-****] 1
144 1 22 MET HA 1 22 MET QB 2.800 . 2.800 2.313 2.180 2.386 . 0 0 "[ . ]" 1
145 1 22 MET HA 1 22 MET QG 2.800 . 2.800 2.864 2.437 3.497 0.697 1 2 "[+ . -]" 1
146 1 22 MET HA 1 23 SER HA 5.000 . 5.000 5.097 4.734 5.351 0.351 3 0 "[ . ]" 1
147 1 20 LEU HA 1 22 MET QB 5.000 . 5.000 6.569 5.857 7.314 2.314 7 7 [*****-+] 1
148 1 22 MET QB 1 23 SER HA 5.000 . 5.000 4.330 3.839 5.021 0.021 1 0 "[ . ]" 1
149 1 22 MET QB 1 23 SER QB 5.000 . 5.000 4.488 4.126 4.842 . 0 0 "[ . ]" 1
150 1 21 LEU QB 1 22 MET QG 5.000 . 5.000 4.514 2.812 5.402 0.402 1 0 "[ . ]" 1
151 1 18 GLU HA 1 22 MET H 5.000 . 5.000 9.315 8.553 10.175 5.175 6 7 [**-**+*] 1
152 1 21 LEU HA 1 22 MET H 5.000 . 5.000 3.086 2.162 3.557 . 0 0 "[ . ]" 1
153 1 21 LEU QB 1 22 MET H . . 2.800 2.567 1.529 3.703 0.903 1 1 "[+ . ]" 1
154 1 21 LEU QD 1 22 MET H 5.000 . 5.000 3.449 2.668 4.040 . 0 0 "[ . ]" 1
155 1 21 LEU HG 1 22 MET H 5.000 . 5.000 4.423 2.982 5.287 0.287 7 0 "[ . ]" 1
156 1 22 MET H 1 22 MET HA 2.800 . 2.800 2.674 2.276 2.864 0.064 3 0 "[ . ]" 1
157 1 22 MET H 1 22 MET QB 2.800 . 2.800 2.863 2.446 3.411 0.611 4 2 "[ +- ]" 1
158 1 22 MET H 1 22 MET QG 3.500 . 3.500 3.120 2.022 4.301 0.801 2 2 "[ +- . ]" 1
159 1 22 MET H 1 23 SER QB 5.000 . 5.000 4.886 4.139 5.363 0.363 5 0 "[ . ]" 1
160 1 23 SER HA 1 23 SER QB 2.800 . 2.800 2.344 2.188 2.396 . 0 0 "[ . ]" 1
161 1 20 LEU HA 1 23 SER H . . 3.500 6.837 4.360 8.133 4.633 2 7 [*+***-*] 1
162 1 22 MET HA 1 23 SER H 3.500 . 3.500 3.537 3.516 3.560 0.060 5 0 "[ . ]" 1
163 1 22 MET QB 1 23 SER H . . 2.800 2.713 2.266 3.409 0.609 1 2 "[+ . -]" 1
164 1 23 SER H 1 23 SER HA . . 2.800 2.505 2.271 2.825 0.025 5 0 "[ . ]" 1
165 1 23 SER H 1 23 SER QB 2.800 . 2.800 2.966 2.394 3.384 0.584 6 4 "[- * .+*]" 1
166 1 20 LEU HA 1 24 GLY H 5.000 . 5.000 10.090 6.844 11.861 6.861 2 7 [*+***-*] 1
167 1 20 LEU QB 1 24 GLY H 5.000 . 5.000 8.123 3.874 10.278 5.278 2 6 "[*+-** *]" 1
168 1 21 LEU HA 1 24 GLY H 3.500 . 3.500 8.420 7.237 9.664 6.164 3 7 [**+*-**] 1
169 1 23 SER HA 1 24 GLY H . . 3.500 2.530 2.202 2.979 . 0 0 "[ . ]" 1
170 1 23 SER QB 1 24 GLY H . . 2.800 2.357 1.670 2.897 0.097 6 0 "[ . ]" 1
171 1 25 ASP HA 1 26 ASN QB 5.000 . 5.000 4.527 3.840 4.976 . 0 0 "[ . ]" 1
172 1 23 SER HA 1 25 ASP H 5.000 . 5.000 5.895 3.908 6.637 1.637 1 6 [+-**.**] 1
173 1 23 SER QB 1 25 ASP H 5.000 . 5.000 5.387 3.750 6.313 1.313 2 3 "[ + *.- ]" 1
174 1 25 ASP H 1 25 ASP HA . . 2.800 2.835 2.808 2.894 0.094 3 0 "[ . ]" 1
175 1 25 ASP H 1 25 ASP QB . . 2.800 2.895 2.809 2.940 0.140 6 0 "[ . ]" 1
176 1 26 ASN HA 1 26 ASN QB 2.800 . 2.800 2.338 2.186 2.379 . 0 0 "[ . ]" 1
177 1 25 ASP HA 1 26 ASN H . . 2.800 2.606 2.487 2.677 . 0 0 "[ . ]" 1
178 1 25 ASP QB 1 26 ASN H 5.000 . 5.000 3.961 3.896 4.023 . 0 0 "[ . ]" 1
179 1 26 ASN H 1 26 ASN HA . . 2.800 2.684 2.273 2.908 0.108 4 0 "[ . ]" 1
180 1 26 ASN H 1 26 ASN QB . . 2.800 2.672 2.439 3.049 0.249 5 0 "[ . ]" 1
181 1 26 ASN QB 1 27 GLY H 3.500 . 3.500 2.816 1.661 3.728 0.228 7 0 "[ . ]" 1
182 1 28 MET HA 1 28 MET QB 2.800 . 2.800 2.299 2.169 2.376 . 0 0 "[ . ]" 1
183 1 28 MET H 1 28 MET HA . . 2.800 2.843 2.778 2.893 0.093 4 0 "[ . ]" 1
184 1 28 MET H 1 28 MET HB2 3.500 . 3.500 3.077 2.567 4.003 0.503 3 1 "[ + . ]" 1
185 1 28 MET HA 1 29 THR H 2.800 . 2.800 2.576 2.243 2.933 0.133 4 0 "[ . ]" 1
186 1 28 MET HB3 1 29 THR H 5.000 . 5.000 2.516 1.615 3.504 . 0 0 "[ . ]" 1
187 1 28 MET HB2 1 29 THR H 5.000 . 5.000 2.839 1.553 3.811 . 0 0 "[ . ]" 1
188 1 30 GLU QB 1 33 LEU HA 5.000 . 5.000 6.460 6.329 6.552 1.552 4 7 [**-+***] 1
189 1 30 GLU HB3 1 31 GLU H 5.000 . 5.000 3.106 3.055 3.161 . 0 0 "[ . ]" 1
190 1 31 GLU H 1 31 GLU HA . . 2.800 2.684 2.665 2.716 . 0 0 "[ . ]" 1
191 1 31 GLU H 1 31 GLU HB3 . . 3.500 3.051 2.495 3.627 0.127 3 0 "[ . ]" 1
192 1 31 GLU H 1 31 GLU HB2 . . 2.800 2.698 2.410 3.626 0.826 7 1 "[ . +]" 1
193 1 32 LYS HA 1 32 LYS QB 2.800 . 2.800 2.441 2.419 2.470 . 0 0 "[ . ]" 1
194 1 32 LYS HA 1 33 LEU HA 5.000 . 5.000 4.840 4.816 4.858 . 0 0 "[ . ]" 1
195 1 32 LYS QB 1 33 LEU HA 5.000 . 5.000 3.874 3.708 3.961 . 0 0 "[ . ]" 1
196 1 31 GLU HA 1 32 LYS H . . 3.500 3.513 3.478 3.526 0.026 4 0 "[ . ]" 1
197 1 31 GLU HB3 1 32 LYS H 5.000 . 5.000 3.053 2.266 3.843 . 0 0 "[ . ]" 1
198 1 31 GLU HB2 1 32 LYS H 5.000 . 5.000 3.159 2.452 3.742 . 0 0 "[ . ]" 1
199 1 32 LYS H 1 32 LYS QB . . 2.800 2.200 2.135 2.237 . 0 0 "[ . ]" 1
200 1 14 PHE QD 1 33 LEU HA 5.000 . 5.000 9.151 8.541 9.769 4.769 3 7 [**+*-**] 1
201 1 33 LEU HA 1 36 TYR QB 3.500 . 3.500 2.961 2.825 3.106 . 0 0 "[ . ]" 1
202 1 33 LEU HA 1 34 ARG H 5.000 . 5.000 3.438 3.416 3.459 . 0 0 "[ . ]" 1
203 1 32 LYS HA 1 35 ARG QB 2.800 . 2.800 4.738 4.580 4.942 2.142 7 7 [****-*+] 1
204 1 32 LYS HA 1 35 ARG QG 3.500 . 3.500 2.637 2.480 2.837 . 0 0 "[ . ]" 1
205 1 32 LYS HA 1 35 ARG H 5.000 . 5.000 3.718 3.598 3.819 . 0 0 "[ . ]" 1
206 1 33 LEU HA 1 35 ARG H 5.000 . 5.000 4.555 4.441 4.699 . 0 0 "[ . ]" 1
207 1 35 ARG H 1 35 ARG HA . . 2.800 2.885 2.876 2.893 0.093 5 0 "[ . ]" 1
208 1 35 ARG H 1 35 ARG HG3 5.000 . 5.000 2.853 2.779 2.913 . 0 0 "[ . ]" 1
209 1 35 ARG H 1 35 ARG HG2 5.000 . 5.000 1.805 1.758 1.836 . 0 0 "[ . ]" 1
210 1 36 TYR HA 1 36 TYR QD 2.800 . 2.800 2.820 2.712 2.927 0.127 3 0 "[ . ]" 1
211 1 36 TYR QB 1 36 TYR QD 2.800 . 2.800 2.134 2.129 2.136 . 0 0 "[ . ]" 1
212 1 14 PHE QD 1 36 TYR H 5.000 . 5.000 5.749 5.362 6.271 1.271 3 5 "[* +-.**]" 1
213 1 35 ARG HA 1 36 TYR H 3.500 . 3.500 3.565 3.519 3.576 0.076 3 0 "[ . ]" 1
214 1 36 TYR H 1 36 TYR HA 2.800 . 2.800 2.767 2.735 2.873 0.073 5 0 "[ . ]" 1
215 1 36 TYR H 1 36 TYR QB . . 2.800 2.319 2.227 2.358 . 0 0 "[ . ]" 1
216 1 36 TYR H 1 36 TYR QD 5.000 . 5.000 2.173 2.007 2.550 . 0 0 "[ . ]" 1
217 1 36 TYR H 1 37 LEU HG 5.000 . 5.000 6.861 4.503 7.511 2.511 7 6 [-***.*+] 1
218 1 37 LEU HA 1 37 LEU QB . . 2.800 2.338 2.281 2.456 . 0 0 "[ . ]" 1
219 1 37 LEU HA 1 37 LEU QD 2.800 . 2.800 2.035 1.814 2.145 . 0 0 "[ . ]" 1
220 1 37 LEU HA 1 37 LEU HG . . 2.800 3.380 2.655 3.770 0.970 7 5 "[ -**.*+]" 1
221 1 37 LEU QB 1 37 LEU HG 2.800 . 2.800 2.244 2.166 2.284 . 0 0 "[ . ]" 1
222 1 37 LEU QB 1 38 LYS HA 5.000 . 5.000 4.055 3.734 4.219 . 0 0 "[ . ]" 1
223 1 37 LEU QD 1 38 LYS HA 5.000 . 5.000 3.384 2.273 5.066 0.066 5 0 "[ . ]" 1
224 1 33 LEU HA 1 37 LEU QD 5.000 . 5.000 4.255 2.866 4.986 . 0 0 "[ . ]" 1
225 1 37 LEU QD 1 44 LEU HA 5.000 . 5.000 8.124 7.960 8.427 3.427 5 7 [****+*-] 1
226 1 37 LEU QD 1 44 LEU QB . . 3.500 5.996 5.804 6.328 2.828 5 7 [*-**+**] 1
227 1 33 LEU HA 1 37 LEU H 5.000 . 5.000 3.096 2.566 3.525 . 0 0 "[ . ]" 1
228 1 36 TYR QB 1 37 LEU H . . 2.800 2.522 2.076 2.737 . 0 0 "[ . ]" 1
229 1 37 LEU H 1 37 LEU HA . . 2.800 2.832 2.792 2.850 0.050 2 0 "[ . ]" 1
230 1 37 LEU H 1 37 LEU QB . . 2.800 2.256 2.177 2.370 . 0 0 "[ . ]" 1
231 1 37 LEU H 1 37 LEU QD . . 3.500 3.566 2.844 3.739 0.239 1 0 "[ . ]" 1
232 1 37 LEU H 1 37 LEU HG 2.800 . 2.800 4.154 2.287 4.660 1.860 3 6 [-*+*.**] 1
233 1 38 LYS HA 1 38 LYS HB2 . . 2.800 2.448 2.422 2.483 . 0 0 "[ . ]" 1
234 1 38 LYS HA 1 38 LYS HG3 3.500 . 3.500 2.926 2.565 3.740 0.240 7 0 "[ . ]" 1
235 1 38 LYS HA 1 38 LYS HG2 3.500 . 3.500 3.328 3.093 3.790 0.290 7 0 "[ . ]" 1
236 1 38 LYS HB3 1 39 ARG HA 5.000 . 5.000 4.696 4.313 5.628 0.628 3 2 "[ + . -]" 1
237 1 37 LEU QB 1 38 LYS HB2 5.000 . 5.000 4.494 3.828 5.407 0.407 3 0 "[ . ]" 1
238 1 38 LYS HA 1 38 LYS QG 3.500 . 3.500 2.731 2.448 3.354 . 0 0 "[ . ]" 1
239 1 38 LYS H 1 38 LYS HA . . 2.800 2.748 2.725 2.770 . 0 0 "[ . ]" 1
240 1 38 LYS H 1 38 LYS HB3 3.500 . 3.500 2.554 2.451 2.642 . 0 0 "[ . ]" 1
241 1 38 LYS H 1 38 LYS HB2 2.800 . 2.800 2.802 2.463 3.607 0.807 7 2 "[ - . +]" 1
242 1 38 LYS H 1 38 LYS HG2 5.000 . 5.000 3.883 2.306 4.521 . 0 0 "[ . ]" 1
243 1 39 ARG HA 1 39 ARG QB 2.800 . 2.800 2.396 2.389 2.410 . 0 0 "[ . ]" 1
244 1 38 LYS HA 1 39 ARG H 3.500 . 3.500 3.494 3.450 3.514 0.014 1 0 "[ . ]" 1
245 1 38 LYS HB3 1 39 ARG H 3.500 . 3.500 3.056 2.596 3.982 0.482 3 0 "[ . ]" 1
246 1 38 LYS HB2 1 39 ARG H 3.500 . 3.500 3.909 3.818 3.964 0.464 5 0 "[ . ]" 1
247 1 39 ARG H 1 39 ARG HA . . 2.800 2.842 2.823 2.865 0.065 5 0 "[ . ]" 1
248 1 37 LEU QD 1 40 THR HA 5.000 . 5.000 5.516 5.345 5.795 0.795 4 3 "[* +.- ]" 1
249 1 40 THR HA 1 44 LEU QB 5.000 . 5.000 4.287 4.025 4.591 . 0 0 "[ . ]" 1
250 1 37 LEU HA 1 40 THR H 5.000 . 5.000 3.577 2.979 3.807 . 0 0 "[ . ]" 1
251 1 37 LEU QD 1 40 THR H 5.000 . 5.000 4.310 4.063 4.511 . 0 0 "[ . ]" 1
252 1 39 ARG HA 1 40 THR H . . 3.500 3.554 3.539 3.575 0.075 4 0 "[ . ]" 1
253 1 40 THR H 1 40 THR HA 2.800 . 2.800 2.748 2.716 2.786 . 0 0 "[ . ]" 1
254 1 37 LEU QD 1 41 VAL H 5.000 . 5.000 3.552 3.135 4.957 . 0 0 "[ . ]" 1
255 1 38 LYS HA 1 41 VAL H 3.500 . 3.500 3.986 3.810 4.121 0.621 2 4 "[*+ *- ]" 1
256 1 42 THR HA 1 45 ASP HB3 5.000 . 5.000 1.847 1.774 1.934 . 0 0 "[ . ]" 1
257 1 42 THR HA 1 45 ASP HB2 5.000 . 5.000 2.646 2.601 2.681 . 0 0 "[ . ]" 1
258 1 39 ARG HA 1 42 THR H 5.000 . 5.000 3.686 3.613 3.757 . 0 0 "[ . ]" 1
259 1 42 THR H 1 43 GLU QG 5.000 . 5.000 4.045 3.829 4.312 . 0 0 "[ . ]" 1
260 1 43 GLU HA 1 43 GLU QB 2.800 . 2.800 2.442 2.416 2.471 . 0 0 "[ . ]" 1
261 1 43 GLU QB 1 44 LEU HA 5.000 . 5.000 3.907 3.855 3.981 . 0 0 "[ . ]" 1
262 1 43 GLU H 1 43 GLU HA 2.800 . 2.800 2.770 2.757 2.781 . 0 0 "[ . ]" 1
263 1 43 GLU H 1 43 GLU QB 2.800 . 2.800 2.218 2.155 2.280 . 0 0 "[ . ]" 1
264 1 43 GLU H 1 43 GLU QG . . 2.800 2.410 2.250 2.577 . 0 0 "[ . ]" 1
265 1 43 GLU H 1 44 LEU QB 5.000 . 5.000 4.739 4.636 4.880 . 0 0 "[ . ]" 1
266 1 44 LEU QB 1 45 ASP HA 5.000 . 5.000 4.598 4.520 4.651 . 0 0 "[ . ]" 1
267 1 21 LEU QD 1 44 LEU H 5.000 . 5.000 16.928 11.561 20.238 15.238 1 7 [+**-***] 1
268 1 44 LEU H 1 44 LEU HA . . 2.800 2.873 2.859 2.882 0.082 4 0 "[ . ]" 1
269 1 44 LEU H 1 44 LEU QB . . 2.800 2.478 2.382 2.615 . 0 0 "[ . ]" 1
270 1 45 ASP HA 1 45 ASP HB2 . . 2.800 2.510 2.485 2.518 . 0 0 "[ . ]" 1
271 1 45 ASP HA 1 48 THR HG1 5.000 . 5.000 1.711 1.603 1.827 . 0 0 "[ . ]" 1
272 1 45 ASP QB 1 46 SER HA 5.000 . 5.000 4.184 4.152 4.202 . 0 0 "[ . ]" 1
273 1 45 ASP HB3 1 46 SER QB 5.000 . 5.000 4.241 4.048 4.693 . 0 0 "[ . ]" 1
274 1 44 LEU HA 1 45 ASP H 5.000 . 5.000 3.465 3.449 3.482 . 0 0 "[ . ]" 1
275 1 44 LEU QB 1 45 ASP H . . 2.800 3.469 3.431 3.522 0.722 3 7 [**+***-] 1
276 1 45 ASP H 1 45 ASP HB3 3.500 . 3.500 2.555 2.501 2.582 . 0 0 "[ . ]" 1
277 1 45 ASP H 1 46 SER QB 5.000 . 5.000 4.198 4.124 4.320 . 0 0 "[ . ]" 1
278 1 46 SER HA 1 46 SER QB 2.800 . 2.800 2.366 2.340 2.424 . 0 0 "[ . ]" 1
279 1 46 SER HA 1 49 ALA MB 3.500 . 3.500 2.336 2.261 2.459 . 0 0 "[ . ]" 1
280 1 44 LEU HA 1 46 SER H 5.000 . 5.000 3.568 3.495 3.622 . 0 0 "[ . ]" 1
281 1 45 ASP HA 1 46 SER H 3.500 . 3.500 3.355 3.333 3.376 . 0 0 "[ . ]" 1
282 1 46 SER H 1 46 SER HA . . 2.800 2.897 2.893 2.899 0.099 3 0 "[ . ]" 1
283 1 46 SER H 1 46 SER QB 2.800 . 2.800 2.297 2.292 2.303 . 0 0 "[ . ]" 1
284 1 47 VAL HA 1 47 VAL HB 2.800 . 2.800 2.865 2.486 3.021 0.221 5 0 "[ . ]" 1
285 1 25 ASP QB 1 47 VAL HB 5.000 . 5.000 26.193 21.381 29.501 24.501 7 7 [**-***+] 1
286 1 44 LEU HA 1 47 VAL HB 5.000 . 5.000 3.556 2.925 4.793 . 0 0 "[ . ]" 1
287 1 44 LEU HA 1 47 VAL QG 5.000 . 5.000 2.718 1.979 3.131 . 0 0 "[ . ]" 1
288 1 47 VAL HA 1 47 VAL QG 2.800 . 2.800 2.134 2.062 2.172 . 0 0 "[ . ]" 1
289 1 44 LEU HA 1 47 VAL H 5.000 . 5.000 3.442 3.286 3.589 . 0 0 "[ . ]" 1
290 1 45 ASP HA 1 47 VAL H 5.000 . 5.000 5.090 4.960 5.240 0.240 7 0 "[ . ]" 1
291 1 46 SER HA 1 47 VAL H . . 3.500 3.534 3.527 3.543 0.043 2 0 "[ . ]" 1
292 1 46 SER QB 1 47 VAL H . . 3.500 2.169 2.099 2.274 . 0 0 "[ . ]" 1
293 1 47 VAL H 1 47 VAL HA . . 2.800 2.771 2.758 2.784 . 0 0 "[ . ]" 1
294 1 47 VAL H 1 47 VAL HB . . 2.800 2.877 2.550 3.567 0.767 2 2 "[ + . -]" 1
295 1 47 VAL H 1 47 VAL QG . . 2.800 1.787 1.656 1.865 . 0 0 "[ . ]" 1
296 1 48 THR HA 1 48 THR HG1 3.500 . 3.500 2.173 2.035 2.774 . 0 0 "[ . ]" 1
297 1 45 ASP HA 1 48 THR H 5.000 . 5.000 4.032 3.934 4.153 . 0 0 "[ . ]" 1
298 1 46 SER HA 1 48 THR H 5.000 . 5.000 4.456 4.403 4.487 . 0 0 "[ . ]" 1
299 1 46 SER QB 1 48 THR H 5.000 . 5.000 4.400 4.370 4.420 . 0 0 "[ . ]" 1
300 1 47 VAL HA 1 48 THR H . . 3.500 3.492 3.478 3.503 0.003 6 0 "[ . ]" 1
301 1 47 VAL HB 1 48 THR H 5.000 . 5.000 2.749 2.398 3.564 . 0 0 "[ . ]" 1
302 1 47 VAL QG 1 48 THR H 5.000 . 5.000 2.801 1.867 3.179 . 0 0 "[ . ]" 1
303 1 48 THR H 1 48 THR HA . . 2.800 2.815 2.810 2.826 0.026 7 0 "[ . ]" 1
304 1 48 THR H 1 48 THR HG1 . . 2.800 2.600 2.554 2.622 . 0 0 "[ . ]" 1
305 1 48 THR H 1 49 ALA MB 5.000 . 5.000 3.913 3.885 3.965 . 0 0 "[ . ]" 1
306 1 46 SER QB 1 49 ALA MB 5.000 . 5.000 4.041 3.937 4.125 . 0 0 "[ . ]" 1
307 1 49 ALA H 1 49 ALA MB 2.800 . 2.800 1.912 1.878 1.980 . 0 0 "[ . ]" 1
308 1 47 VAL HA 1 50 ARG H 3.500 . 3.500 3.359 3.242 3.516 0.016 5 0 "[ . ]" 1
309 1 49 ALA MB 1 50 ARG H 3.500 . 3.500 2.680 2.578 2.751 . 0 0 "[ . ]" 1
310 1 51 LEU HA 1 52 ARG QD 3.500 . 3.500 6.862 6.525 6.987 3.487 1 7 [+****-*] 1
311 1 51 LEU QB 1 52 ARG QD 5.000 . 5.000 5.579 4.948 5.905 0.905 1 5 "[+**-* ]" 1
312 1 50 ARG HA 1 51 LEU H 3.500 . 3.500 3.423 3.402 3.450 . 0 0 "[ . ]" 1
313 1 51 LEU H 1 51 LEU HA . . 2.800 2.772 2.750 2.805 0.005 3 0 "[ . ]" 1
314 1 51 LEU H 1 51 LEU QB . . 2.800 2.193 2.142 2.217 . 0 0 "[ . ]" 1
315 1 51 LEU H 1 52 ARG QD 5.000 . 5.000 5.602 5.047 5.826 0.826 5 5 "[***-+ ]" 1
316 1 52 ARG HA 1 52 ARG HB3 2.800 . 2.800 2.411 2.364 2.442 . 0 0 "[ . ]" 1
317 1 51 LEU HA 1 52 ARG QG 5.000 . 5.000 4.947 4.862 4.992 . 0 0 "[ . ]" 1
318 1 52 ARG HA 1 53 GLU H . . 3.500 3.487 3.470 3.505 0.005 6 0 "[ . ]" 1
319 1 57 ARG HA 1 57 ARG QD 3.500 . 3.500 4.147 3.990 4.518 1.018 3 6 "[**+-** ]" 1
320 1 57 ARG HA 1 57 ARG HG2 3.500 . 3.500 2.732 2.502 3.762 0.262 3 0 "[ . ]" 1
321 1 60 GLU H 2 1 ALA MB 3.500 . 3.500 27.953 21.583 32.265 28.765 3 7 [**+**-*] 1
322 2 1 ALA MB 2 2 SER HA 5.000 . 5.000 4.450 4.446 4.457 . 0 0 "[ . ]" 1
323 2 1 ALA MB 2 2 SER QB 5.000 . 5.000 4.435 4.392 4.651 . 0 0 "[ . ]" 1
324 2 1 ALA HA 2 2 SER H . . 2.800 2.183 2.178 2.200 . 0 0 "[ . ]" 1
325 2 2 SER H 2 2 SER QB . . 3.500 2.484 2.477 2.487 . 0 0 "[ . ]" 1
326 2 1 ALA MB 2 3 ASP HA 5.000 . 5.000 4.739 4.700 4.791 . 0 0 "[ . ]" 1
327 2 2 SER HA 2 3 ASP HB2 5.000 . 5.000 4.812 4.643 5.713 0.713 6 1 "[ .+ ]" 1
328 2 3 ASP HB2 2 7 PHE QE 5.000 . 5.000 2.660 2.184 3.032 . 0 0 "[ . ]" 1
329 2 3 ASP HB2 2 7 PHE HZ 5.000 . 5.000 4.295 3.383 4.653 . 0 0 "[ . ]" 1
330 2 2 SER HA 2 3 ASP H . . 2.800 2.172 2.164 2.184 . 0 0 "[ . ]" 1
331 2 2 SER QB 2 3 ASP H . . 2.800 3.044 3.014 3.075 0.275 7 0 "[ . ]" 1
332 2 3 ASP H 2 3 ASP HA . . 2.800 2.807 2.798 2.818 0.018 3 0 "[ . ]" 1
333 2 3 ASP H 2 3 ASP HB3 . . 3.500 3.440 2.548 3.591 0.091 5 0 "[ . ]" 1
334 2 4 ASP HA 2 4 ASP QB 2.800 . 2.800 2.362 2.338 2.371 . 0 0 "[ . ]" 1
335 2 4 ASP HA 2 7 PHE QD 5.000 . 5.000 2.341 1.719 2.874 . 0 0 "[ . ]" 1
336 2 4 ASP HA 2 7 PHE QE 5.000 . 5.000 4.335 3.856 4.851 . 0 0 "[ . ]" 1
337 2 4 ASP QB 2 7 PHE QD 5.000 . 5.000 4.153 3.852 4.381 . 0 0 "[ . ]" 1
338 2 2 SER QB 2 4 ASP H 5.000 . 5.000 2.866 2.806 3.036 . 0 0 "[ . ]" 1
339 2 3 ASP HA 2 4 ASP H . . 3.500 3.518 3.508 3.544 0.044 6 0 "[ . ]" 1
340 2 3 ASP HB3 2 4 ASP H 5.000 . 5.000 3.776 3.740 3.859 . 0 0 "[ . ]" 1
341 2 3 ASP HB2 2 4 ASP H . . 3.500 2.852 2.702 3.632 0.132 6 0 "[ . ]" 1
342 2 4 ASP H 2 4 ASP QB . . 2.800 2.439 2.247 2.539 . 0 0 "[ . ]" 1
343 2 4 ASP HA 2 5 GLU HA 5.000 . 5.000 4.843 4.833 4.863 . 0 0 "[ . ]" 1
344 2 5 GLU HA 2 5 GLU HG2 3.500 . 3.500 3.211 3.096 3.774 0.274 6 0 "[ . ]" 1
345 2 5 GLU HA 2 5 GLU QB 2.800 . 2.800 2.355 2.347 2.362 . 0 0 "[ . ]" 1
346 2 4 ASP HA 2 5 GLU H 5.000 . 5.000 3.524 3.504 3.540 . 0 0 "[ . ]" 1
347 2 4 ASP QB 2 5 GLU H 5.000 . 5.000 2.681 2.575 2.805 . 0 0 "[ . ]" 1
348 2 5 GLU H 2 5 GLU HA 2.800 . 2.800 2.784 2.773 2.790 . 0 0 "[ . ]" 1
349 2 5 GLU H 2 5 GLU HB3 . . 2.800 2.554 2.537 2.575 . 0 0 "[ . ]" 1
350 2 5 GLU H 2 5 GLU HB2 3.500 . 3.500 2.502 2.483 2.516 . 0 0 "[ . ]" 1
351 2 5 GLU H 2 5 GLU HG3 5.000 . 5.000 4.445 4.430 4.467 . 0 0 "[ . ]" 1
352 2 5 GLU H 2 5 GLU HG2 5.000 . 5.000 4.491 4.464 4.609 . 0 0 "[ . ]" 1
353 2 6 LEU QB 2 9 MET QG 5.000 . 5.000 4.359 4.183 4.489 . 0 0 "[ . ]" 1
354 2 6 LEU HG 2 41 VAL QG 5.000 . 5.000 10.942 10.092 11.779 6.779 6 7 [****-+*] 1
355 2 3 ASP HA 2 6 LEU H 5.000 . 5.000 3.505 3.343 3.765 . 0 0 "[ . ]" 1
356 2 6 LEU H 2 9 MET ME 5.000 . 5.000 4.343 4.276 4.439 . 0 0 "[ . ]" 1
357 2 7 PHE HA 2 7 PHE QD . . 3.500 2.036 1.830 2.470 . 0 0 "[ . ]" 1
358 2 7 PHE HA 2 7 PHE QE 5.000 . 5.000 4.311 4.200 4.481 . 0 0 "[ . ]" 1
359 2 7 PHE HA 2 10 LEU QB 5.000 . 5.000 3.174 3.012 3.377 . 0 0 "[ . ]" 1
360 2 7 PHE HA 2 10 LEU QD 5.000 . 5.000 2.081 1.619 2.453 . 0 0 "[ . ]" 1
361 2 7 PHE HA 2 36 TYR QE 5.000 . 5.000 3.494 3.205 4.170 . 0 0 "[ . ]" 1
362 2 4 ASP HA 2 7 PHE QB 5.000 . 5.000 2.285 2.043 2.514 . 0 0 "[ . ]" 1
363 2 6 LEU HB2 2 7 PHE QB 5.000 . 5.000 4.568 4.474 4.635 . 0 0 "[ . ]" 1
364 2 7 PHE QB 2 36 TYR QE 5.000 . 5.000 2.486 2.227 3.059 . 0 0 "[ . ]" 1
365 2 7 PHE QB 2 10 LEU QB 5.000 . 5.000 3.935 3.735 4.152 . 0 0 "[ . ]" 1
366 2 3 ASP HA 2 7 PHE QD 5.000 . 5.000 4.657 4.364 4.821 . 0 0 "[ . ]" 1
367 2 6 LEU HB2 2 7 PHE QD 5.000 . 5.000 3.826 3.575 4.158 . 0 0 "[ . ]" 1
368 2 7 PHE QD 2 10 LEU QB 5.000 . 5.000 4.237 3.965 4.504 . 0 0 "[ . ]" 1
369 2 7 PHE QD 2 10 LEU QD 5.000 . 5.000 2.408 2.276 2.873 . 0 0 "[ . ]" 1
370 2 7 PHE QD 2 10 LEU HG 5.000 . 5.000 3.967 3.671 4.252 . 0 0 "[ . ]" 1
371 2 7 PHE QD 2 33 LEU QD 5.000 . 5.000 4.525 4.260 4.954 . 0 0 "[ . ]" 1
372 2 7 PHE QD 2 37 LEU QD 5.000 . 5.000 5.928 3.115 6.684 1.684 3 6 [*-+*.**] 1
373 2 7 PHE QE 2 29 THR MG 5.000 . 5.000 4.314 3.752 4.826 . 0 0 "[ . ]" 1
374 2 7 PHE QE 2 32 LYS HB2 5.000 . 5.000 4.498 3.569 5.179 0.179 7 0 "[ . ]" 1
375 2 7 PHE QE 2 32 LYS HB3 5.000 . 5.000 3.546 3.069 4.192 . 0 0 "[ . ]" 1
376 2 7 PHE QE 2 32 LYS QG 5.000 . 5.000 3.002 2.182 4.406 . 0 0 "[ . ]" 1
377 2 7 PHE QE 2 33 LEU QD 3.500 . 3.500 2.890 2.632 3.242 . 0 0 "[ . ]" 1
378 2 7 PHE QE 2 36 TYR QD 5.000 . 5.000 4.267 3.730 4.683 . 0 0 "[ . ]" 1
379 2 7 PHE QE 2 37 LEU QD . . 3.500 4.782 2.020 5.635 2.135 3 6 [*-+*.**] 1
380 2 7 PHE QE 2 41 VAL QG 5.000 . 5.000 7.754 7.590 7.984 2.984 6 7 [**-**+*] 1
381 2 4 ASP HA 2 7 PHE H . . 2.800 3.366 3.289 3.402 0.602 2 6 "[*+**-* ]" 1
382 2 6 LEU HB2 2 7 PHE H 5.000 . 5.000 2.472 2.364 2.521 . 0 0 "[ . ]" 1
383 2 7 PHE H 2 7 PHE QB . . 3.500 2.437 2.404 2.463 . 0 0 "[ . ]" 1
384 2 7 PHE H 2 7 PHE QD 5.000 . 5.000 2.967 2.804 3.120 . 0 0 "[ . ]" 1
385 2 7 PHE H 2 41 VAL QG 5.000 . 5.000 11.015 10.779 11.261 6.261 6 7 [-****+*] 1
386 2 7 PHE HZ 2 29 THR MG 5.000 . 5.000 4.272 3.414 5.065 0.065 2 0 "[ . ]" 1
387 2 7 PHE HZ 2 32 LYS HB3 5.000 . 5.000 4.302 3.291 4.994 . 0 0 "[ . ]" 1
388 2 7 PHE HZ 2 33 LEU QD 5.000 . 5.000 2.208 1.874 2.417 . 0 0 "[ . ]" 1
389 2 7 PHE HZ 2 33 LEU HG 5.000 . 5.000 3.503 3.067 4.080 . 0 0 "[ . ]" 1
390 2 7 PHE QB 2 8 SER HA 5.000 . 5.000 3.936 3.896 3.979 . 0 0 "[ . ]" 1
391 2 8 SER HA 2 8 SER QB . . 2.800 2.364 2.352 2.388 . 0 0 "[ . ]" 1
392 2 8 SER HA 2 11 ASP QB . . 3.500 2.526 2.427 2.766 . 0 0 "[ . ]" 1
393 2 4 ASP QB 2 8 SER QB 5.000 . 5.000 4.481 4.037 5.081 0.081 4 0 "[ . ]" 1
394 2 8 SER QB 2 9 MET QG 5.000 . 5.000 3.345 3.287 3.445 . 0 0 "[ . ]" 1
395 2 8 SER QB 2 11 ASP QB 5.000 . 5.000 4.081 3.743 4.457 . 0 0 "[ . ]" 1
396 2 7 PHE QB 2 8 SER H 5.000 . 5.000 2.778 2.682 2.837 . 0 0 "[ . ]" 1
397 2 8 SER H 2 8 SER QB . . 2.800 2.314 2.259 2.448 . 0 0 "[ . ]" 1
398 2 8 SER QB 2 9 MET QB 5.000 . 5.000 4.637 4.563 4.684 . 0 0 "[ . ]" 1
399 2 9 MET QB 2 10 LEU QD 5.000 . 5.000 2.766 2.274 3.162 . 0 0 "[ . ]" 1
400 2 9 MET ME 2 9 MET QG . . 3.500 2.469 2.445 2.492 . 0 0 "[ . ]" 1
401 2 9 MET ME 2 10 LEU QD . . 2.800 2.930 2.408 3.374 0.574 1 1 "[+ . ]" 1
402 2 9 MET ME 2 41 VAL QG . . 2.800 8.614 8.246 8.970 6.170 6 7 [**-**+*] 1
403 2 9 MET QG 2 10 LEU QD 5.000 . 5.000 4.227 3.633 4.677 . 0 0 "[ . ]" 1
404 2 9 MET QG 2 41 VAL QG 5.000 . 5.000 11.070 10.712 11.343 6.343 6 7 [**-**+*] 1
405 2 8 SER HA 2 9 MET H 5.000 . 5.000 3.531 3.523 3.545 . 0 0 "[ . ]" 1
406 2 8 SER QB 2 9 MET H . . 2.800 2.585 2.531 2.652 . 0 0 "[ . ]" 1
407 2 9 MET H 2 9 MET HA 2.800 . 2.800 2.784 2.779 2.789 . 0 0 "[ . ]" 1
408 2 9 MET H 2 9 MET QB . . 2.800 2.576 2.520 2.629 . 0 0 "[ . ]" 1
409 2 9 MET H 2 9 MET ME 5.000 . 5.000 3.433 3.383 3.476 . 0 0 "[ . ]" 1
410 2 9 MET H 2 9 MET QG 5.000 . 5.000 1.967 1.858 2.090 . 0 0 "[ . ]" 1
411 2 10 LEU HA 2 10 LEU QD . . 3.500 1.829 1.740 1.928 . 0 0 "[ . ]" 1
412 2 10 LEU HA 2 13 ARG HB2 5.000 . 5.000 2.629 2.537 2.806 . 0 0 "[ . ]" 1
413 2 10 LEU HA 2 13 ARG HB3 5.000 . 5.000 4.310 4.226 4.469 . 0 0 "[ . ]" 1
414 2 10 LEU QB 2 10 LEU QD 2.800 . 2.800 1.936 1.920 1.963 . 0 0 "[ . ]" 1
415 2 10 LEU QB 2 36 TYR QD 5.000 . 5.000 2.281 1.720 2.513 . 0 0 "[ . ]" 1
416 2 10 LEU QB 2 36 TYR QE 5.000 . 5.000 2.670 2.434 3.068 . 0 0 "[ . ]" 1
417 2 9 MET ME 2 10 LEU QB 5.000 . 5.000 5.151 5.008 5.336 0.336 6 0 "[ . ]" 1
418 2 9 MET QG 2 10 LEU QB 5.000 . 5.000 5.765 5.652 5.900 0.900 6 7 [****-+*] 1
419 2 10 LEU QB 2 14 PHE QD 5.000 . 5.000 3.027 2.879 3.108 . 0 0 "[ . ]" 1
420 2 7 PHE QE 2 10 LEU QD 5.000 . 5.000 3.822 3.645 4.329 . 0 0 "[ . ]" 1
421 2 10 LEU MD1 2 10 LEU MD2 2.800 . 2.800 1.920 1.897 1.933 . 0 0 "[ . ]" 1
422 2 10 LEU QD 2 13 ARG HB2 5.000 . 5.000 3.414 3.267 3.486 . 0 0 "[ . ]" 1
423 2 10 LEU QD 2 13 ARG HB3 5.000 . 5.000 4.536 4.335 4.645 . 0 0 "[ . ]" 1
424 2 10 LEU QD 2 14 PHE QD 5.000 . 5.000 3.526 3.344 3.771 . 0 0 "[ . ]" 1
425 2 10 LEU QD 2 14 PHE QE 5.000 . 5.000 2.431 2.279 2.624 . 0 0 "[ . ]" 1
426 2 10 LEU QD 2 14 PHE HZ 5.000 . 5.000 2.131 1.973 2.312 . 0 0 "[ . ]" 1
427 2 10 LEU QD 2 36 TYR HA 5.000 . 5.000 3.609 2.596 4.561 . 0 0 "[ . ]" 1
428 2 10 LEU QD 2 36 TYR QD 5.000 . 5.000 1.958 1.341 2.577 . 0 0 "[ . ]" 1
429 2 10 LEU QD 2 40 THR MG 3.500 . 3.500 2.281 1.710 3.673 0.173 4 0 "[ . ]" 1
430 2 10 LEU QD 2 41 VAL QG 3.500 . 3.500 5.852 5.460 6.312 2.812 6 7 [-****+*] 1
431 2 10 LEU HG 2 41 VAL QG 5.000 . 5.000 8.323 7.257 9.107 4.107 2 7 [*+-****] 1
432 2 9 MET QB 2 10 LEU H . . 3.500 2.580 2.482 2.682 . 0 0 "[ . ]" 1
433 2 9 MET ME 2 10 LEU H 5.000 . 5.000 3.821 3.689 3.974 . 0 0 "[ . ]" 1
434 2 9 MET QG 2 10 LEU H 5.000 . 5.000 3.879 3.752 4.011 . 0 0 "[ . ]" 1
435 2 10 LEU H 2 10 LEU QB . . 3.500 2.525 2.496 2.541 . 0 0 "[ . ]" 1
436 2 10 LEU H 2 10 LEU QD . . 3.500 2.455 1.728 2.997 . 0 0 "[ . ]" 1
437 2 10 LEU H 2 10 LEU HG . . 2.800 2.844 2.075 3.821 1.021 6 3 "[ -*.+ ]" 1
438 2 10 LEU H 2 11 ASP QB 5.000 . 5.000 4.324 4.216 4.597 . 0 0 "[ . ]" 1
439 2 10 LEU H 2 36 TYR QE 5.000 . 5.000 4.349 4.030 4.515 . 0 0 "[ . ]" 1
440 2 10 LEU H 2 41 VAL QG 5.000 . 5.000 10.371 9.956 10.649 5.649 2 7 [*+-****] 1
441 2 11 ASP HA 2 11 ASP QB . . 2.800 2.370 2.355 2.421 . 0 0 "[ . ]" 1
442 2 11 ASP HA 2 14 PHE HB3 5.000 . 5.000 4.851 4.743 4.918 . 0 0 "[ . ]" 1
443 2 11 ASP HA 2 14 PHE HB2 5.000 . 5.000 3.230 3.120 3.300 . 0 0 "[ . ]" 1
444 2 11 ASP HA 2 36 TYR QE 5.000 . 5.000 3.900 2.952 4.276 . 0 0 "[ . ]" 1
445 2 8 SER HA 2 11 ASP H 5.000 . 5.000 3.149 3.050 3.224 . 0 0 "[ . ]" 1
446 2 10 LEU HA 2 11 ASP H 5.000 . 5.000 3.525 3.512 3.547 . 0 0 "[ . ]" 1
447 2 10 LEU QB 2 11 ASP H 5.000 . 5.000 2.616 2.572 2.676 . 0 0 "[ . ]" 1
448 2 10 LEU QD 2 11 ASP H 5.000 . 5.000 3.708 3.243 4.054 . 0 0 "[ . ]" 1
449 2 10 LEU HG 2 11 ASP H 5.000 . 5.000 4.536 4.079 5.118 0.118 3 0 "[ . ]" 1
450 2 11 ASP H 2 11 ASP QB . . 3.500 2.269 2.243 2.391 . 0 0 "[ . ]" 1
451 2 11 ASP H 2 36 TYR QE 5.000 . 5.000 3.307 2.905 3.582 . 0 0 "[ . ]" 1
452 2 11 ASP HA 2 12 GLN HA 5.000 . 5.000 4.707 4.695 4.728 . 0 0 "[ . ]" 1
453 2 12 GLN HA 2 12 GLN HG2 . . 2.800 2.934 2.514 3.743 0.943 4 1 "[ +. ]" 1
454 2 11 ASP QB 2 12 GLN HB2 5.000 . 5.000 4.343 4.023 4.619 . 0 0 "[ . ]" 1
455 2 8 SER HA 2 12 GLN H 5.000 . 5.000 4.613 4.413 4.765 . 0 0 "[ . ]" 1
456 2 11 ASP HA 2 12 GLN H 5.000 . 5.000 3.534 3.508 3.561 . 0 0 "[ . ]" 1
457 2 11 ASP QB 2 12 GLN H 5.000 . 5.000 2.591 2.399 2.753 . 0 0 "[ . ]" 1
458 2 12 GLN H 2 12 GLN HA . . 2.800 2.864 2.840 2.879 0.079 4 0 "[ . ]" 1
459 2 12 GLN H 2 12 GLN HB2 2.800 . 2.800 2.502 2.422 2.610 . 0 0 "[ . ]" 1
460 2 12 GLN H 2 12 GLN HG3 5.000 . 5.000 3.436 2.264 4.499 . 0 0 "[ . ]" 1
461 2 12 GLN H 2 12 GLN HG2 5.000 . 5.000 3.772 2.400 4.630 . 0 0 "[ . ]" 1
462 2 12 GLN H 2 13 ARG HB2 5.000 . 5.000 4.745 4.594 4.945 . 0 0 "[ . ]" 1
463 2 13 ARG QB 2 14 PHE QD 5.000 . 5.000 2.391 2.267 2.537 . 0 0 "[ . ]" 1
464 2 13 ARG HB2 2 14 PHE HA 5.000 . 5.000 4.333 4.123 4.505 . 0 0 "[ . ]" 1
465 2 13 ARG HB3 2 14 PHE HA 5.000 . 5.000 4.342 4.159 4.493 . 0 0 "[ . ]" 1
466 2 10 LEU HA 2 13 ARG HD3 5.000 . 5.000 4.394 3.414 5.403 0.403 7 0 "[ . ]" 1
467 2 10 LEU HA 2 13 ARG HD2 5.000 . 5.000 3.976 3.077 5.759 0.759 7 1 "[ . +]" 1
468 2 10 LEU HA 2 13 ARG H 5.000 . 5.000 3.311 3.264 3.414 . 0 0 "[ . ]" 1
469 2 10 LEU QD 2 13 ARG H 5.000 . 5.000 4.542 4.392 4.660 . 0 0 "[ . ]" 1
470 2 11 ASP HA 2 13 ARG H 5.000 . 5.000 4.830 4.632 5.023 0.023 3 0 "[ . ]" 1
471 2 12 GLN HA 2 13 ARG H 3.500 . 3.500 3.557 3.540 3.576 0.076 3 0 "[ . ]" 1
472 2 13 ARG H 2 13 ARG HA . . 2.800 2.837 2.811 2.853 0.053 6 0 "[ . ]" 1
473 2 13 ARG H 2 13 ARG HB2 . . 2.800 2.452 2.341 2.599 . 0 0 "[ . ]" 1
474 2 13 ARG H 2 13 ARG HB3 . . 3.500 3.588 3.572 3.600 0.100 7 0 "[ . ]" 1
475 2 14 PHE HA 2 14 PHE QD . . 2.800 2.319 2.233 2.460 . 0 0 "[ . ]" 1
476 2 10 LEU HA 2 14 PHE QD 5.000 . 5.000 3.484 3.293 3.767 . 0 0 "[ . ]" 1
477 2 11 ASP HA 2 14 PHE QD 5.000 . 5.000 4.649 4.400 4.873 . 0 0 "[ . ]" 1
478 2 13 ARG HB2 2 14 PHE QD 5.000 . 5.000 2.526 2.362 2.745 . 0 0 "[ . ]" 1
479 2 13 ARG HB3 2 14 PHE QD 5.000 . 5.000 2.993 2.696 3.170 . 0 0 "[ . ]" 1
480 2 10 LEU QB 2 14 PHE QE 5.000 . 5.000 2.797 2.647 2.938 . 0 0 "[ . ]" 1
481 2 14 PHE QE 2 40 THR HA 5.000 . 5.000 3.627 3.257 3.859 . 0 0 "[ . ]" 1
482 2 14 PHE QE 2 40 THR HB 5.000 . 5.000 4.711 3.368 5.358 0.358 7 0 "[ . ]" 1
483 2 14 PHE QE 2 40 THR MG 5.000 . 5.000 3.214 2.711 4.071 . 0 0 "[ . ]" 1
484 2 14 PHE QE 2 43 GLU QG 5.000 . 5.000 2.362 1.915 2.529 . 0 0 "[ . ]" 1
485 2 14 PHE QE 2 44 LEU QD 5.000 . 5.000 6.294 5.379 6.559 1.559 6 6 "[** -*+*]" 1
486 2 11 ASP HA 2 14 PHE H 5.000 . 5.000 4.104 3.944 4.201 . 0 0 "[ . ]" 1
487 2 12 GLN HA 2 14 PHE H 5.000 . 5.000 4.706 4.624 4.768 . 0 0 "[ . ]" 1
488 2 13 ARG HA 2 14 PHE H 5.000 . 5.000 3.527 3.513 3.534 . 0 0 "[ . ]" 1
489 2 13 ARG HB2 2 14 PHE H 5.000 . 5.000 2.545 2.406 2.722 . 0 0 "[ . ]" 1
490 2 13 ARG HB3 2 14 PHE H . . 3.500 3.533 3.345 3.633 0.133 7 0 "[ . ]" 1
491 2 14 PHE H 2 14 PHE HB2 . . 3.500 2.444 2.408 2.484 . 0 0 "[ . ]" 1
492 2 14 PHE H 2 14 PHE QD . . 3.500 2.229 2.068 2.321 . 0 0 "[ . ]" 1
493 2 10 LEU QB 2 14 PHE HZ 5.000 . 5.000 3.175 2.976 3.272 . 0 0 "[ . ]" 1
494 2 14 PHE HZ 2 39 ARG HA 5.000 . 5.000 5.426 5.261 5.548 0.548 5 2 "[- + ]" 1
495 2 14 PHE HZ 2 39 ARG QB 5.000 . 5.000 3.310 3.119 3.454 . 0 0 "[ . ]" 1
496 2 14 PHE HZ 2 40 THR HA 5.000 . 5.000 2.444 2.092 2.758 . 0 0 "[ . ]" 1
497 2 14 PHE HZ 2 40 THR HB 5.000 . 5.000 3.692 2.230 4.400 . 0 0 "[ . ]" 1
498 2 14 PHE HZ 2 40 THR MG 5.000 . 5.000 2.382 1.687 3.884 . 0 0 "[ . ]" 1
499 2 14 PHE HZ 2 43 GLU QB 5.000 . 5.000 3.319 3.078 3.507 . 0 0 "[ . ]" 1
500 2 14 PHE HZ 2 43 GLU QG 5.000 . 5.000 2.954 2.581 3.288 . 0 0 "[ . ]" 1
501 2 14 PHE HZ 2 44 LEU QD 5.000 . 5.000 6.377 5.426 6.724 1.724 1 6 "[+* -***]" 1
502 2 11 ASP HA 2 15 GLY H 5.000 . 5.000 4.290 4.112 4.473 . 0 0 "[ . ]" 1
503 2 13 ARG HB2 2 15 GLY H 5.000 . 5.000 4.759 4.581 4.914 . 0 0 "[ . ]" 1
504 2 14 PHE HA 2 15 GLY H 5.000 . 5.000 3.441 3.420 3.458 . 0 0 "[ . ]" 1
505 2 14 PHE HB3 2 15 GLY H 5.000 . 5.000 4.023 3.989 4.051 . 0 0 "[ . ]" 1
506 2 14 PHE HB2 2 15 GLY H 5.000 . 5.000 3.135 3.112 3.183 . 0 0 "[ . ]" 1
507 2 15 GLY H 2 15 GLY HA3 . . 2.800 2.669 2.296 2.850 0.050 7 0 "[ . ]" 1
508 2 15 GLY H 2 15 GLY HA2 . . 2.800 2.798 2.748 2.853 0.053 4 0 "[ . ]" 1
509 2 15 GLY HA3 2 16 GLY H 5.000 . 5.000 3.253 2.784 3.571 . 0 0 "[ . ]" 1
510 2 16 GLY H 2 16 GLY HA3 . . 2.800 2.524 2.295 2.878 0.078 3 0 "[ . ]" 1
511 2 17 GLY H 2 17 GLY QA 2.800 . 2.800 2.374 2.197 2.502 . 0 0 "[ . ]" 1
512 2 18 GLU HA 2 18 GLU HB3 2.800 . 2.800 2.458 2.363 2.515 . 0 0 "[ . ]" 1
513 2 17 GLY QA 2 18 GLU QG 5.000 . 5.000 3.897 3.485 4.653 . 0 0 "[ . ]" 1
514 2 18 GLU HA 2 18 GLU QG 3.500 . 3.500 2.943 2.429 3.530 0.030 1 0 "[ . ]" 1
515 2 17 GLY QA 2 18 GLU H 2.800 . 2.800 2.356 2.102 2.709 . 0 0 "[ . ]" 1
516 2 18 GLU H 2 18 GLU HA 2.800 . 2.800 2.591 2.270 2.838 0.038 1 0 "[ . ]" 1
517 2 18 GLU H 2 18 GLU QG . . 2.800 2.750 1.791 3.579 0.779 1 2 "[+ - . ]" 1
518 2 19 ASP HA 2 19 ASP QB 2.800 . 2.800 2.367 2.350 2.382 . 0 0 "[ . ]" 1
519 2 19 ASP H 2 19 ASP QB . . 3.500 2.864 2.475 2.992 . 0 0 "[ . ]" 1
520 2 19 ASP QB 2 20 LEU HA 5.000 . 5.000 4.052 3.842 4.177 . 0 0 "[ . ]" 1
521 2 20 LEU HA 2 20 LEU QD 3.500 . 3.500 2.182 1.876 3.282 . 0 0 "[ . ]" 1
522 2 19 ASP QB 2 20 LEU HB2 5.000 . 5.000 4.732 4.412 5.352 0.352 7 0 "[ . ]" 1
523 2 20 LEU HB2 2 20 LEU QD 2.800 . 2.800 2.194 2.062 2.310 . 0 0 "[ . ]" 1
524 2 18 GLU HA 2 20 LEU H 5.000 . 5.000 4.460 4.078 4.763 . 0 0 "[ . ]" 1
525 2 19 ASP HA 2 20 LEU H 3.500 . 3.500 3.558 3.540 3.573 0.073 3 0 "[ . ]" 1
526 2 19 ASP QB 2 20 LEU H 3.500 . 3.500 2.363 2.210 2.490 . 0 0 "[ . ]" 1
527 2 20 LEU H 2 20 LEU HB2 3.500 . 3.500 2.784 2.460 3.606 0.106 7 0 "[ . ]" 1
528 2 20 LEU H 2 20 LEU QD 5.000 . 5.000 2.360 1.406 3.112 . 0 0 "[ . ]" 1
529 2 21 LEU HA 2 21 LEU QD 3.500 . 3.500 2.256 1.891 2.914 . 0 0 "[ . ]" 1
530 2 21 LEU H 2 21 LEU HB3 3.500 . 3.500 3.311 2.565 3.599 0.099 6 0 "[ . ]" 1
531 2 21 LEU H 2 21 LEU HB2 3.500 . 3.500 2.409 2.300 2.485 . 0 0 "[ . ]" 1
532 2 21 LEU H 2 21 LEU QD 3.500 . 3.500 2.656 1.560 3.589 0.089 1 0 "[ . ]" 1
533 2 22 MET HA 2 22 MET ME 5.000 . 5.000 3.651 1.621 4.429 . 0 0 "[ . ]" 1
534 2 23 SER HA 2 23 SER QB 2.800 . 2.800 2.345 2.189 2.387 . 0 0 "[ . ]" 1
535 2 21 LEU HB3 2 23 SER H 5.000 . 5.000 3.945 2.992 5.526 0.526 6 1 "[ .+ ]" 1
536 2 22 MET ME 2 23 SER H 5.000 . 5.000 4.225 3.915 4.808 . 0 0 "[ . ]" 1
537 2 23 SER H 2 23 SER HA . . 2.800 2.503 2.270 2.844 0.044 5 0 "[ . ]" 1
538 2 23 SER HA 2 24 GLY H . . 2.800 2.559 2.178 3.063 0.263 7 0 "[ . ]" 1
539 2 25 ASP H 2 25 ASP QB . . 2.800 2.870 2.651 2.976 0.176 6 0 "[ . ]" 1
540 2 25 ASP HA 2 26 ASN H 2.800 . 2.800 2.921 2.613 3.541 0.741 5 2 "[ -+ ]" 1
541 2 27 GLY QA 2 28 MET HG3 5.000 . 5.000 4.157 3.317 4.776 . 0 0 "[ . ]" 1
542 2 27 GLY QA 2 28 MET HG2 5.000 . 5.000 4.116 3.263 4.828 . 0 0 "[ . ]" 1
543 2 27 GLY H 2 27 GLY QA . . 2.800 2.455 2.198 2.503 . 0 0 "[ . ]" 1
544 2 28 MET HA 2 28 MET ME 5.000 . 5.000 4.337 4.035 4.567 . 0 0 "[ . ]" 1
545 2 28 MET QB 2 29 THR HA 5.000 . 5.000 4.394 4.036 4.682 . 0 0 "[ . ]" 1
546 2 28 MET HB3 2 28 MET HG3 . . 2.800 2.928 2.448 3.010 0.210 5 0 "[ . ]" 1
547 2 28 MET HB2 2 28 MET HG2 2.800 . 2.800 2.930 2.457 3.009 0.209 4 0 "[ . ]" 1
548 2 27 GLY QA 2 28 MET H . . 2.800 2.498 2.112 2.716 . 0 0 "[ . ]" 1
549 2 28 MET H 2 28 MET HA . . 2.800 2.864 2.810 2.914 0.114 7 0 "[ . ]" 1
550 2 28 MET H 2 28 MET HG3 5.000 . 5.000 3.164 2.177 4.591 . 0 0 "[ . ]" 1
551 2 28 MET H 2 28 MET HG2 5.000 . 5.000 3.335 1.880 4.295 . 0 0 "[ . ]" 1
552 2 28 MET HA 2 29 THR HA 5.000 . 5.000 4.337 4.283 4.405 . 0 0 "[ . ]" 1
553 2 29 THR HA 2 29 THR MG 3.500 . 3.500 2.390 2.315 2.452 . 0 0 "[ . ]" 1
554 2 29 THR MG 2 30 GLU QB 5.000 . 5.000 4.861 4.709 5.004 0.004 7 0 "[ . ]" 1
555 2 29 THR MG 2 30 GLU QG 5.000 . 5.000 3.944 3.710 4.264 . 0 0 "[ . ]" 1
556 2 28 MET HA 2 29 THR H . . 2.800 2.582 2.236 3.049 0.249 4 0 "[ . ]" 1
557 2 28 MET HG3 2 29 THR H 5.000 . 5.000 4.263 2.539 5.045 0.045 6 0 "[ . ]" 1
558 2 30 GLU HA 2 30 GLU QG 3.500 . 3.500 2.486 2.432 2.566 . 0 0 "[ . ]" 1
559 2 30 GLU HA 2 33 LEU HB2 5.000 . 5.000 2.028 1.690 2.316 . 0 0 "[ . ]" 1
560 2 30 GLU HA 2 33 LEU HB3 . . 3.500 3.467 3.020 3.661 0.161 2 0 "[ . ]" 1
561 2 30 GLU HA 2 33 LEU QD . . 2.800 2.516 1.745 3.132 0.332 2 0 "[ . ]" 1
562 2 30 GLU QG 2 33 LEU QD 3.500 . 3.500 3.321 2.571 3.866 0.366 2 0 "[ . ]" 1
563 2 29 THR HA 2 30 GLU H 5.000 . 5.000 3.554 3.524 3.572 . 0 0 "[ . ]" 1
564 2 29 THR MG 2 30 GLU H 5.000 . 5.000 3.502 3.367 3.659 . 0 0 "[ . ]" 1
565 2 30 GLU H 2 30 GLU QB . . 3.500 2.571 2.477 2.661 . 0 0 "[ . ]" 1
566 2 30 GLU H 2 30 GLU QG . . 2.800 2.008 1.871 2.147 . 0 0 "[ . ]" 1
567 2 30 GLU H 2 33 LEU QD 5.000 . 5.000 3.628 3.147 4.022 . 0 0 "[ . ]" 1
568 2 28 MET HB3 2 31 GLU H 5.000 . 5.000 4.267 3.216 4.997 . 0 0 "[ . ]" 1
569 2 30 GLU HA 2 31 GLU H 5.000 . 5.000 3.562 3.542 3.584 . 0 0 "[ . ]" 1
570 2 30 GLU QG 2 31 GLU H 5.000 . 5.000 3.954 3.806 4.064 . 0 0 "[ . ]" 1
571 2 32 LYS HA 2 32 LYS QG . . 3.500 2.465 2.372 2.765 . 0 0 "[ . ]" 1
572 2 32 LYS HA 2 36 TYR QD 5.000 . 5.000 2.803 2.150 3.036 . 0 0 "[ . ]" 1
573 2 32 LYS HA 2 36 TYR QE 5.000 . 5.000 3.297 2.818 3.683 . 0 0 "[ . ]" 1
574 2 29 THR HA 2 32 LYS HB2 5.000 . 5.000 4.052 3.371 4.444 . 0 0 "[ . ]" 1
575 2 29 THR HA 2 32 LYS HB3 5.000 . 5.000 3.822 3.390 5.070 0.070 3 0 "[ . ]" 1
576 2 32 LYS HB3 2 36 TYR QD 5.000 . 5.000 4.288 2.804 4.901 . 0 0 "[ . ]" 1
577 2 32 LYS HB3 2 36 TYR QE 5.000 . 5.000 4.947 3.375 5.613 0.613 4 1 "[ +. ]" 1
578 2 32 LYS QG 2 36 TYR QB 5.000 . 5.000 3.572 3.069 4.936 . 0 0 "[ . ]" 1
579 2 32 LYS QG 2 36 TYR QD . . 3.500 2.700 2.182 3.345 . 0 0 "[ . ]" 1
580 2 32 LYS QG 2 36 TYR QE 5.000 . 5.000 2.565 2.194 3.667 . 0 0 "[ . ]" 1
581 2 7 PHE QB 2 32 LYS QG 5.000 . 5.000 3.774 3.266 4.373 . 0 0 "[ . ]" 1
582 2 29 THR MG 2 32 LYS H 5.000 . 5.000 4.528 4.292 4.706 . 0 0 "[ . ]" 1
583 2 32 LYS H 2 32 LYS HA . . 2.800 2.846 2.828 2.868 0.068 7 0 "[ . ]" 1
584 2 32 LYS H 2 32 LYS HB2 . . 3.500 2.424 2.234 2.527 . 0 0 "[ . ]" 1
585 2 32 LYS H 2 32 LYS HB3 . . 2.800 2.756 2.545 3.587 0.787 3 1 "[ + . ]" 1
586 2 32 LYS H 2 32 LYS QG 5.000 . 5.000 3.779 2.476 4.050 . 0 0 "[ . ]" 1
587 2 32 LYS H 2 33 LEU HB2 5.000 . 5.000 4.497 4.226 4.641 . 0 0 "[ . ]" 1
588 2 32 LYS H 2 33 LEU QD 5.000 . 5.000 3.917 3.603 4.571 . 0 0 "[ . ]" 1
589 2 7 PHE HZ 2 33 LEU HA 5.000 . 5.000 3.951 3.802 4.155 . 0 0 "[ . ]" 1
590 2 33 LEU HA 2 33 LEU QD . . 2.800 2.216 1.946 2.640 . 0 0 "[ . ]" 1
591 2 33 LEU HA 2 37 LEU HB2 5.000 . 5.000 3.244 1.828 3.651 . 0 0 "[ . ]" 1
592 2 33 LEU HA 2 37 LEU QD 5.000 . 5.000 4.168 2.782 4.783 . 0 0 "[ . ]" 1
593 2 7 PHE HZ 2 33 LEU QB 5.000 . 5.000 4.919 4.779 5.045 0.045 1 0 "[ . ]" 1
594 2 32 LYS HB3 2 33 LEU HB2 5.000 . 5.000 4.761 4.412 5.874 0.874 3 1 "[ + . ]" 1
595 2 29 THR MG 2 33 LEU QD 2.800 . 2.800 1.539 1.428 1.905 . 0 0 "[ . ]" 1
596 2 30 GLU QB 2 33 LEU QD 3.500 . 3.500 4.025 3.409 4.516 1.016 2 4 "[-+ *.* ]" 1
597 2 32 LYS HB2 2 33 LEU QD 5.000 . 5.000 4.008 3.678 4.848 . 0 0 "[ . ]" 1
598 2 32 LYS HB3 2 33 LEU QD 5.000 . 5.000 2.865 2.244 4.369 . 0 0 "[ . ]" 1
599 2 33 LEU MD1 2 33 LEU MD2 2.800 . 2.800 2.034 1.939 2.080 . 0 0 "[ . ]" 1
600 2 33 LEU QD 2 36 TYR QB 5.000 . 5.000 4.089 3.849 4.400 . 0 0 "[ . ]" 1
601 2 33 LEU QD 2 37 LEU HB2 5.000 . 5.000 4.062 3.247 4.579 . 0 0 "[ . ]" 1
602 2 33 LEU QD 2 37 LEU HB3 5.000 . 5.000 4.811 4.002 5.150 0.150 2 0 "[ . ]" 1
603 2 7 PHE QE 2 33 LEU HG 5.000 . 5.000 4.394 4.138 4.755 . 0 0 "[ . ]" 1
604 2 29 THR HA 2 33 LEU H 5.000 . 5.000 4.239 3.991 4.497 . 0 0 "[ . ]" 1
605 2 29 THR MG 2 33 LEU H 5.000 . 5.000 3.648 3.506 3.868 . 0 0 "[ . ]" 1
606 2 30 GLU HA 2 33 LEU H 5.000 . 5.000 3.251 3.077 3.460 . 0 0 "[ . ]" 1
607 2 32 LYS HA 2 33 LEU H 5.000 . 5.000 3.516 3.479 3.534 . 0 0 "[ . ]" 1
608 2 32 LYS HB2 2 33 LEU H 5.000 . 5.000 3.574 2.650 3.807 . 0 0 "[ . ]" 1
609 2 32 LYS HB3 2 33 LEU H 5.000 . 5.000 2.706 2.472 3.554 . 0 0 "[ . ]" 1
610 2 32 LYS QG 2 33 LEU H 5.000 . 5.000 3.865 3.697 4.172 . 0 0 "[ . ]" 1
611 2 33 LEU H 2 33 LEU HB2 . . 3.500 2.304 2.149 2.536 . 0 0 "[ . ]" 1
612 2 33 LEU H 2 33 LEU HB3 . . 3.500 3.529 3.459 3.581 0.081 7 0 "[ . ]" 1
613 2 33 LEU H 2 33 LEU QD . . 3.500 2.393 1.813 3.104 . 0 0 "[ . ]" 1
614 2 33 LEU H 2 33 LEU HG 5.000 . 5.000 3.487 2.166 4.122 . 0 0 "[ . ]" 1
615 2 34 ARG HA 2 37 LEU HB3 5.000 . 5.000 3.956 3.480 5.642 0.642 5 1 "[ + ]" 1
616 2 33 LEU QD 2 34 ARG QG 5.000 . 5.000 5.347 4.453 6.399 1.399 4 3 "[ *-+. ]" 1
617 2 32 LYS HA 2 34 ARG H 5.000 . 5.000 3.832 3.748 3.904 . 0 0 "[ . ]" 1
618 2 33 LEU HB2 2 34 ARG H 5.000 . 5.000 3.220 2.922 3.351 . 0 0 "[ . ]" 1
619 2 33 LEU HB3 2 34 ARG H 5.000 . 5.000 3.878 3.608 4.108 . 0 0 "[ . ]" 1
620 2 34 ARG H 2 36 TYR QD 5.000 . 5.000 4.772 4.646 5.174 0.174 5 0 "[ . ]" 1
621 2 35 ARG QB 2 36 TYR QE 5.000 . 5.000 4.595 4.300 4.666 . 0 0 "[ . ]" 1
622 2 35 ARG HG3 2 36 TYR QD 5.000 . 5.000 1.897 1.797 2.053 . 0 0 "[ . ]" 1
623 2 35 ARG HG2 2 36 TYR QB 5.000 . 5.000 4.547 4.527 4.579 . 0 0 "[ . ]" 1
624 2 35 ARG HG2 2 36 TYR QD 5.000 . 5.000 2.775 2.678 2.947 . 0 0 "[ . ]" 1
625 2 35 ARG H 2 35 ARG HG3 . . 2.800 2.975 2.898 3.017 0.217 2 0 "[ . ]" 1
626 2 35 ARG H 2 35 ARG HG2 . . 3.500 1.920 1.868 1.948 . 0 0 "[ . ]" 1
627 2 35 ARG H 2 36 TYR QB 5.000 . 5.000 4.619 4.538 4.673 . 0 0 "[ . ]" 1
628 2 7 PHE QE 2 36 TYR QB 5.000 . 5.000 3.062 2.237 3.484 . 0 0 "[ . ]" 1
629 2 10 LEU QD 2 36 TYR QB 5.000 . 5.000 2.627 1.706 3.336 . 0 0 "[ . ]" 1
630 2 36 TYR QB 2 37 LEU QD . . 3.500 4.377 3.171 4.646 1.146 3 6 [-*+*.**] 1
631 2 36 TYR QB 2 41 VAL QG 5.000 . 5.000 6.545 5.963 7.389 2.389 5 7 [**-*+**] 1
632 2 36 TYR QB 2 40 THR MG 5.000 . 5.000 3.243 2.876 4.097 . 0 0 "[ . ]" 1
633 2 7 PHE HA 2 36 TYR QD 5.000 . 5.000 2.867 2.671 3.070 . 0 0 "[ . ]" 1
634 2 7 PHE QB 2 36 TYR QD 5.000 . 5.000 3.071 2.811 3.429 . 0 0 "[ . ]" 1
635 2 7 PHE QD 2 36 TYR QD 5.000 . 5.000 2.963 2.402 3.428 . 0 0 "[ . ]" 1
636 2 10 LEU HG 2 36 TYR QD 5.000 . 5.000 3.152 2.372 3.591 . 0 0 "[ . ]" 1
637 2 36 TYR QD 2 41 VAL QG 5.000 . 5.000 7.831 7.226 8.642 3.642 5 7 [**-*+**] 1
638 2 32 LYS HB2 2 36 TYR QE 5.000 . 5.000 4.631 4.304 5.133 0.133 5 0 "[ . ]" 1
639 2 36 TYR HA 2 36 TYR QE 5.000 . 5.000 4.634 4.608 4.671 . 0 0 "[ . ]" 1
640 2 32 LYS HA 2 36 TYR H 5.000 . 5.000 3.957 3.383 4.154 . 0 0 "[ . ]" 1
641 2 33 LEU HA 2 36 TYR H 5.000 . 5.000 4.123 3.937 4.467 . 0 0 "[ . ]" 1
642 2 35 ARG HG3 2 36 TYR H 5.000 . 5.000 1.830 1.747 2.118 . 0 0 "[ . ]" 1
643 2 35 ARG HG2 2 36 TYR H 5.000 . 5.000 2.658 2.608 2.831 . 0 0 "[ . ]" 1
644 2 36 TYR H 2 36 TYR QB . . 3.500 2.402 2.385 2.433 . 0 0 "[ . ]" 1
645 2 36 TYR H 2 36 TYR QD . . 3.500 2.034 1.925 2.351 . 0 0 "[ . ]" 1
646 2 36 TYR H 2 36 TYR QE 5.000 . 5.000 4.189 4.096 4.471 . 0 0 "[ . ]" 1
647 2 36 TYR H 2 39 ARG QB 5.000 . 5.000 4.796 4.655 4.971 . 0 0 "[ . ]" 1
648 2 37 LEU HA 2 37 LEU QD . . 2.800 1.961 1.723 2.060 . 0 0 "[ . ]" 1
649 2 37 LEU QD 2 40 THR HA 5.000 . 5.000 5.216 5.051 5.418 0.418 4 0 "[ . ]" 1
650 2 37 LEU QD 2 40 THR HB 5.000 . 5.000 3.948 3.664 4.615 . 0 0 "[ . ]" 1
651 2 37 LEU QD 2 40 THR MG 2.800 . 2.800 3.236 2.097 3.827 1.027 3 5 "[*-+ .**]" 1
652 2 33 LEU HA 2 37 LEU H 5.000 . 5.000 3.176 2.534 3.530 . 0 0 "[ . ]" 1
653 2 33 LEU QD 2 37 LEU H 5.000 . 5.000 4.665 3.946 5.146 0.146 2 0 "[ . ]" 1
654 2 36 TYR HA 2 37 LEU H 5.000 . 5.000 3.567 3.559 3.575 . 0 0 "[ . ]" 1
655 2 36 TYR QB 2 37 LEU H 5.000 . 5.000 2.586 2.286 2.708 . 0 0 "[ . ]" 1
656 2 36 TYR QD 2 37 LEU H 5.000 . 5.000 4.191 3.996 4.253 . 0 0 "[ . ]" 1
657 2 37 LEU H 2 37 LEU HB2 . . 3.500 2.561 2.276 2.667 . 0 0 "[ . ]" 1
658 2 37 LEU H 2 37 LEU HB3 . . 2.800 2.632 2.428 3.537 0.737 5 1 "[ + ]" 1
659 2 37 LEU H 2 37 LEU QD . . 3.500 3.606 3.156 3.722 0.222 4 0 "[ . ]" 1
660 2 37 LEU H 2 37 LEU HG 5.000 . 5.000 4.277 2.770 4.655 . 0 0 "[ . ]" 1
661 2 38 LYS HA 2 41 VAL HB 5.000 . 5.000 3.713 2.814 5.647 0.647 1 1 "[+ . ]" 1
662 2 38 LYS HA 2 41 VAL QG . . 3.500 3.180 2.295 3.909 0.409 5 0 "[ . ]" 1
663 2 37 LEU HA 2 38 LYS H 5.000 . 5.000 3.572 3.563 3.586 . 0 0 "[ . ]" 1
664 2 37 LEU HB2 2 38 LYS H 5.000 . 5.000 3.700 2.863 3.900 . 0 0 "[ . ]" 1
665 2 37 LEU HB3 2 38 LYS H 5.000 . 5.000 2.613 2.352 3.492 . 0 0 "[ . ]" 1
666 2 37 LEU QD 2 38 LYS H 5.000 . 5.000 3.533 2.694 4.197 . 0 0 "[ . ]" 1
667 2 37 LEU HG 2 38 LYS H 5.000 . 5.000 4.030 3.461 4.805 . 0 0 "[ . ]" 1
668 2 38 LYS H 2 38 LYS HA . . 2.800 2.793 2.777 2.821 0.021 5 0 "[ . ]" 1
669 2 39 ARG HA 2 39 ARG QB 2.800 . 2.800 2.404 2.395 2.420 . 0 0 "[ . ]" 1
670 2 39 ARG HA 2 39 ARG HD3 5.000 . 5.000 2.432 1.927 4.391 . 0 0 "[ . ]" 1
671 2 39 ARG HA 2 39 ARG HD2 5.000 . 5.000 3.012 1.952 4.649 . 0 0 "[ . ]" 1
672 2 39 ARG HA 2 40 THR HA 5.000 . 5.000 4.809 4.764 4.854 . 0 0 "[ . ]" 1
673 2 36 TYR HA 2 39 ARG QB 5.000 . 5.000 2.768 2.498 3.228 . 0 0 "[ . ]" 1
674 2 36 TYR HA 2 39 ARG H 5.000 . 5.000 3.791 3.650 4.137 . 0 0 "[ . ]" 1
675 2 38 LYS HA 2 39 ARG H 5.000 . 5.000 3.500 3.471 3.515 . 0 0 "[ . ]" 1
676 2 39 ARG H 2 39 ARG QB . . 2.800 2.334 2.262 2.358 . 0 0 "[ . ]" 1
677 2 39 ARG H 2 39 ARG HD3 5.000 . 5.000 4.004 3.699 4.785 . 0 0 "[ . ]" 1
678 2 39 ARG H 2 39 ARG HD2 5.000 . 5.000 4.570 3.937 4.726 . 0 0 "[ . ]" 1
679 2 40 THR HA 2 41 VAL QG 5.000 . 5.000 4.884 4.511 5.079 0.079 5 0 "[ . ]" 1
680 2 40 THR HA 2 44 LEU QD 5.000 . 5.000 4.976 4.073 5.386 0.386 1 0 "[ . ]" 1
681 2 40 THR HB 2 43 GLU QG 5.000 . 5.000 5.119 4.405 5.488 0.488 7 0 "[ . ]" 1
682 2 40 THR HB 2 44 LEU QD 5.000 . 5.000 4.630 3.373 5.637 0.637 5 2 "[ -+ ]" 1
683 2 40 THR HA 2 40 THR MG 3.500 . 3.500 2.465 2.075 3.188 . 0 0 "[ . ]" 1
684 2 40 THR MG 2 41 VAL HA 5.000 . 5.000 4.771 3.408 5.312 0.312 6 0 "[ . ]" 1
685 2 40 THR MG 2 41 VAL QG 2.800 . 2.800 4.145 3.025 4.715 1.915 6 5 "[**- .+*]" 1
686 2 40 THR MG 2 43 GLU QB 5.000 . 5.000 4.025 3.476 4.790 . 0 0 "[ . ]" 1
687 2 40 THR MG 2 44 LEU QD 3.500 . 3.500 4.683 4.068 5.230 1.730 1 7 [+*-****] 1
688 2 36 TYR HA 2 40 THR H 5.000 . 5.000 3.903 3.746 4.291 . 0 0 "[ . ]" 1
689 2 37 LEU HA 2 40 THR H 5.000 . 5.000 3.302 3.196 3.432 . 0 0 "[ . ]" 1
690 2 39 ARG QB 2 40 THR H . . 2.800 2.473 2.383 2.588 . 0 0 "[ . ]" 1
691 2 40 THR H 2 40 THR HA . . 2.800 2.783 2.749 2.827 0.027 3 0 "[ . ]" 1
692 2 40 THR H 2 40 THR HB . . 3.500 3.350 2.675 3.627 0.127 2 0 "[ . ]" 1
693 2 41 VAL HA 2 44 LEU QB 5.000 . 5.000 2.829 2.200 3.274 . 0 0 "[ . ]" 1
694 2 41 VAL HA 2 44 LEU QD 5.000 . 5.000 3.078 2.303 3.821 . 0 0 "[ . ]" 1
695 2 10 LEU QB 2 41 VAL QG 5.000 . 5.000 7.956 7.652 8.171 3.171 7 7 [**-***+] 1
696 2 37 LEU HA 2 41 VAL QG 5.000 . 5.000 4.080 3.480 5.255 0.255 5 0 "[ . ]" 1
697 2 37 LEU HB3 2 41 VAL QG 5.000 . 5.000 4.675 4.233 5.049 0.049 5 0 "[ . ]" 1
698 2 41 VAL MG1 2 41 VAL MG2 2.800 . 2.800 2.024 1.960 2.080 . 0 0 "[ . ]" 1
699 2 41 VAL QG 2 42 THR HA 5.000 . 5.000 3.229 3.040 3.431 . 0 0 "[ . ]" 1
700 2 41 VAL QG 2 42 THR HB 5.000 . 5.000 4.174 3.652 4.516 . 0 0 "[ . ]" 1
701 2 41 VAL QG 2 45 ASP QB 5.000 . 5.000 3.821 3.460 4.632 . 0 0 "[ . ]" 1
702 2 37 LEU QD 2 41 VAL H 3.500 . 3.500 3.237 2.801 4.882 1.382 5 1 "[ + ]" 1
703 2 40 THR HA 2 41 VAL H . . 3.500 3.545 3.509 3.590 0.090 3 0 "[ . ]" 1
704 2 40 THR HB 2 41 VAL H 5.000 . 5.000 3.541 3.189 4.168 . 0 0 "[ . ]" 1
705 2 41 VAL H 2 41 VAL QG . . 2.800 2.527 2.041 2.913 0.113 5 0 "[ . ]" 1
706 2 41 VAL H 2 42 THR HB 5.000 . 5.000 5.049 4.951 5.134 0.134 7 0 "[ . ]" 1
707 2 42 THR HA 2 42 THR MG 3.500 . 3.500 2.357 2.302 2.390 . 0 0 "[ . ]" 1
708 2 42 THR HA 2 45 ASP QB 5.000 . 5.000 2.555 2.476 2.635 . 0 0 "[ . ]" 1
709 2 42 THR MG 2 43 GLU HA 5.000 . 5.000 3.558 3.429 3.721 . 0 0 "[ . ]" 1
710 2 42 THR MG 2 45 ASP QB 5.000 . 5.000 3.390 2.926 3.574 . 0 0 "[ . ]" 1
711 2 40 THR MG 2 42 THR H 5.000 . 5.000 5.018 4.249 5.403 0.403 1 0 "[ . ]" 1
712 2 41 VAL HA 2 42 THR H 5.000 . 5.000 3.518 3.504 3.543 . 0 0 "[ . ]" 1
713 2 41 VAL HB 2 42 THR H 3.500 . 3.500 3.319 3.009 3.986 0.486 1 0 "[ . ]" 1
714 2 41 VAL QG 2 42 THR H 5.000 . 5.000 2.620 1.830 3.127 . 0 0 "[ . ]" 1
715 2 42 THR H 2 42 THR HB . . 2.800 2.516 2.496 2.536 . 0 0 "[ . ]" 1
716 2 42 THR H 2 42 THR MG . . 3.500 3.788 3.776 3.799 0.299 7 0 "[ . ]" 1
717 2 40 THR HA 2 43 GLU QB 5.000 . 5.000 2.248 1.945 2.504 . 0 0 "[ . ]" 1
718 2 40 THR HB 2 43 GLU QB 5.000 . 5.000 4.267 3.884 4.465 . 0 0 "[ . ]" 1
719 2 14 PHE QD 2 43 GLU QB 5.000 . 5.000 4.477 4.189 4.623 . 0 0 "[ . ]" 1
720 2 42 THR HB 2 43 GLU QG 5.000 . 5.000 3.739 3.271 5.963 0.963 3 1 "[ + . ]" 1
721 2 43 GLU QG 2 44 LEU QD 5.000 . 5.000 5.670 4.044 6.053 1.053 4 6 "[** +*-*]" 1
722 2 14 PHE QD 2 43 GLU QG 5.000 . 5.000 3.385 3.012 3.533 . 0 0 "[ . ]" 1
723 2 40 THR HA 2 43 GLU H 5.000 . 5.000 3.279 3.080 3.421 . 0 0 "[ . ]" 1
724 2 43 GLU H 2 43 GLU HA 2.800 . 2.800 2.801 2.786 2.828 0.028 1 0 "[ . ]" 1
725 2 43 GLU H 2 43 GLU QB 3.500 . 3.500 2.403 2.191 2.490 . 0 0 "[ . ]" 1
726 2 43 GLU H 2 43 GLU QG . . 3.500 2.439 2.062 4.056 0.556 3 1 "[ + . ]" 1
727 2 43 GLU H 2 44 LEU QD 5.000 . 5.000 5.312 4.554 5.528 0.528 4 2 "[ +. -]" 1
728 2 43 GLU H 2 46 SER QB 5.000 . 5.000 4.615 4.414 4.887 . 0 0 "[ . ]" 1
729 2 44 LEU HA 2 44 LEU QD . . 2.800 2.091 1.874 2.247 . 0 0 "[ . ]" 1
730 2 44 LEU HA 2 47 VAL HB 5.000 . 5.000 4.824 4.408 5.280 0.280 2 0 "[ . ]" 1
731 2 44 LEU HA 2 47 VAL QG 3.500 . 3.500 2.252 1.970 2.483 . 0 0 "[ . ]" 1
732 2 44 LEU HA 2 48 THR MG 5.000 . 5.000 4.318 4.102 4.460 . 0 0 "[ . ]" 1
733 2 41 VAL QG 2 44 LEU QB 5.000 . 5.000 3.892 3.651 4.428 . 0 0 "[ . ]" 1
734 2 10 LEU QD 2 44 LEU QB 5.000 . 5.000 5.537 5.156 7.068 2.068 3 1 "[ + . ]" 1
735 2 44 LEU QB 2 44 LEU QD . . 2.800 1.919 1.837 2.015 . 0 0 "[ . ]" 1
736 2 44 LEU QB 2 48 THR MG 5.000 . 5.000 4.299 3.315 4.653 . 0 0 "[ . ]" 1
737 2 40 THR HB 2 44 LEU QB 5.000 . 5.000 4.280 3.311 5.585 0.585 3 1 "[ + . ]" 1
738 2 43 GLU QB 2 44 LEU QD 3.500 . 3.500 4.434 3.344 4.702 1.202 4 6 "[** +*-*]" 1
739 2 44 LEU QD 2 48 THR HB 5.000 . 5.000 3.583 2.865 4.571 . 0 0 "[ . ]" 1
740 2 39 ARG QB 2 44 LEU QD 5.000 . 5.000 7.178 6.481 7.667 2.667 1 7 [+*-****] 1
741 2 41 VAL QG 2 44 LEU QD 2.800 . 2.800 3.551 3.105 4.017 1.217 1 6 "[+* *-**]" 1
742 2 14 PHE HZ 2 44 LEU HG 5.000 . 5.000 8.525 6.386 9.321 4.321 7 7 [**-***+] 1
743 2 40 THR HA 2 44 LEU HG 5.000 . 5.000 6.430 4.153 7.344 2.344 5 6 "[** *+-*]" 1
744 2 40 THR MG 2 44 LEU HG 5.000 . 5.000 6.442 4.901 7.276 2.276 2 6 "[*+ **-*]" 1
745 2 41 VAL HA 2 44 LEU HG 5.000 . 5.000 4.498 2.589 5.285 0.285 2 0 "[ . ]" 1
746 2 41 VAL QG 2 44 LEU HG 5.000 . 5.000 5.045 4.072 5.567 0.567 2 2 "[ + . -]" 1
747 2 44 LEU HG 2 45 ASP QB 5.000 . 5.000 4.899 4.326 5.627 0.627 1 2 "[+ .- ]" 1
748 2 40 THR MG 2 44 LEU H 5.000 . 5.000 4.932 4.714 5.356 0.356 3 0 "[ . ]" 1
749 2 41 VAL HA 2 44 LEU H 5.000 . 5.000 3.862 3.523 4.198 . 0 0 "[ . ]" 1
750 2 43 GLU HA 2 44 LEU H 5.000 . 5.000 3.508 3.469 3.528 . 0 0 "[ . ]" 1
751 2 43 GLU QB 2 44 LEU H 5.000 . 5.000 2.421 2.251 2.629 . 0 0 "[ . ]" 1
752 2 43 GLU QG 2 44 LEU H 5.000 . 5.000 3.942 3.813 4.062 . 0 0 "[ . ]" 1
753 2 44 LEU H 2 44 LEU QD . . 3.500 3.523 2.931 3.676 0.176 4 0 "[ . ]" 1
754 2 44 LEU H 2 44 LEU HG 5.000 . 5.000 4.113 2.159 4.512 . 0 0 "[ . ]" 1
755 2 44 LEU H 2 46 SER QB 5.000 . 5.000 4.686 4.578 4.800 . 0 0 "[ . ]" 1
756 2 44 LEU H 2 47 VAL QG 5.000 . 5.000 4.028 3.844 4.136 . 0 0 "[ . ]" 1
757 2 42 THR HA 2 45 ASP HA 5.000 . 5.000 5.311 5.168 5.425 0.425 7 0 "[ . ]" 1
758 2 10 LEU QD 2 45 ASP QB 5.000 . 5.000 8.373 8.151 8.878 3.878 3 7 [**+*-**] 1
759 2 44 LEU QD 2 45 ASP QB 5.000 . 5.000 3.901 3.123 4.752 . 0 0 "[ . ]" 1
760 2 45 ASP QB 2 46 SER HA 5.000 . 5.000 4.150 4.103 4.203 . 0 0 "[ . ]" 1
761 2 45 ASP QB 2 49 ALA MB 5.000 . 5.000 4.530 4.430 4.683 . 0 0 "[ . ]" 1
762 2 41 VAL HA 2 45 ASP H 5.000 . 5.000 4.212 3.866 4.439 . 0 0 "[ . ]" 1
763 2 41 VAL QG 2 45 ASP H 5.000 . 5.000 4.436 4.223 4.911 . 0 0 "[ . ]" 1
764 2 42 THR HA 2 45 ASP H 5.000 . 5.000 3.380 3.266 3.529 . 0 0 "[ . ]" 1
765 2 44 LEU HA 2 45 ASP H 5.000 . 5.000 3.526 3.509 3.535 . 0 0 "[ . ]" 1
766 2 44 LEU QB 2 45 ASP H . . 3.500 2.392 2.156 2.573 . 0 0 "[ . ]" 1
767 2 44 LEU QD 2 45 ASP H 5.000 . 5.000 3.411 2.792 3.801 . 0 0 "[ . ]" 1
768 2 44 LEU HG 2 45 ASP H 5.000 . 5.000 3.947 3.445 4.841 . 0 0 "[ . ]" 1
769 2 45 ASP H 2 45 ASP QB . . 2.800 2.244 2.217 2.266 . 0 0 "[ . ]" 1
770 2 45 ASP H 2 46 SER QB 5.000 . 5.000 4.410 4.184 4.635 . 0 0 "[ . ]" 1
771 2 46 SER HA 2 46 SER QB 2.800 . 2.800 2.354 2.346 2.372 . 0 0 "[ . ]" 1
772 2 46 SER HA 2 49 ALA MB 3.500 . 3.500 2.606 2.377 2.919 . 0 0 "[ . ]" 1
773 2 42 THR MG 2 46 SER H 5.000 . 5.000 3.973 3.839 4.043 . 0 0 "[ . ]" 1
774 2 44 LEU QD 2 46 SER H 5.000 . 5.000 4.843 4.296 5.098 0.098 5 0 "[ . ]" 1
775 2 45 ASP HA 2 46 SER H 5.000 . 5.000 3.484 3.474 3.498 . 0 0 "[ . ]" 1
776 2 45 ASP QB 2 46 SER H 5.000 . 5.000 2.794 2.736 2.848 . 0 0 "[ . ]" 1
777 2 46 SER H 2 46 SER HA . . 2.800 2.842 2.830 2.856 0.056 3 0 "[ . ]" 1
778 2 46 SER H 2 46 SER QB 2.800 . 2.800 2.311 2.260 2.433 . 0 0 "[ . ]" 1
779 2 46 SER H 2 47 VAL QG 5.000 . 5.000 3.622 3.347 3.780 . 0 0 "[ . ]" 1
780 2 46 SER H 2 48 THR HB 5.000 . 5.000 5.803 5.659 6.037 1.037 1 7 [+****-*] 1
781 2 46 SER H 2 48 THR MG 5.000 . 5.000 3.881 3.833 3.944 . 0 0 "[ . ]" 1
782 2 46 SER H 2 49 ALA MB 5.000 . 5.000 4.384 4.252 4.531 . 0 0 "[ . ]" 1
783 2 47 VAL HA 2 51 LEU QD 3.500 . 3.500 5.230 4.971 5.382 1.882 6 7 [-****+*] 1
784 2 44 LEU QD 2 47 VAL HB 5.000 . 5.000 5.390 4.794 6.007 1.007 2 2 "[ + . -]" 1
785 2 47 VAL HB 2 48 THR MG 5.000 . 5.000 5.539 5.022 5.822 0.822 2 5 "[ + *-**]" 1
786 2 46 SER HA 2 47 VAL QG 5.000 . 5.000 4.666 4.426 4.832 . 0 0 "[ . ]" 1
787 2 46 SER QB 2 47 VAL QG 5.000 . 5.000 3.420 3.070 3.710 . 0 0 "[ . ]" 1
788 2 47 VAL QG 2 48 THR HA 5.000 . 5.000 3.178 2.839 3.583 . 0 0 "[ . ]" 1
789 2 47 VAL QG 2 48 THR MG 5.000 . 5.000 3.419 3.282 3.490 . 0 0 "[ . ]" 1
790 2 44 LEU HA 2 47 VAL H 5.000 . 5.000 3.863 3.532 4.027 . 0 0 "[ . ]" 1
791 2 44 LEU QD 2 47 VAL H 5.000 . 5.000 4.981 4.601 5.327 0.327 2 0 "[ . ]" 1
792 2 46 SER HA 2 47 VAL H 5.000 . 5.000 3.580 3.570 3.586 . 0 0 "[ . ]" 1
793 2 46 SER QB 2 47 VAL H 2.800 . 2.800 2.190 2.113 2.266 . 0 0 "[ . ]" 1
794 2 47 VAL H 2 47 VAL HB . . 3.500 2.950 2.545 3.606 0.106 3 0 "[ . ]" 1
795 2 47 VAL H 2 47 VAL QG . . 2.800 1.961 1.667 2.169 . 0 0 "[ . ]" 1
796 2 48 THR HA 2 48 THR MG 3.500 . 3.500 3.194 3.191 3.196 . 0 0 "[ . ]" 1
797 2 48 THR HA 2 49 ALA MB 5.000 . 5.000 4.997 4.985 5.025 0.025 3 0 "[ . ]" 1
798 2 48 THR HA 2 51 LEU HB3 5.000 . 5.000 2.583 2.207 3.696 . 0 0 "[ . ]" 1
799 2 48 THR HA 2 51 LEU HB2 5.000 . 5.000 2.844 2.241 3.336 . 0 0 "[ . ]" 1
800 2 47 VAL QG 2 48 THR HB 5.000 . 5.000 3.124 2.945 3.380 . 0 0 "[ . ]" 1
801 2 45 ASP HA 2 48 THR MG 5.000 . 5.000 1.815 1.734 1.959 . 0 0 "[ . ]" 1
802 2 44 LEU QD 2 48 THR H 5.000 . 5.000 4.268 3.829 4.684 . 0 0 "[ . ]" 1
803 2 45 ASP HA 2 48 THR H 5.000 . 5.000 3.915 3.821 4.071 . 0 0 "[ . ]" 1
804 2 46 SER HA 2 48 THR H 5.000 . 5.000 4.590 4.495 4.736 . 0 0 "[ . ]" 1
805 2 46 SER QB 2 48 THR H 5.000 . 5.000 4.560 4.481 4.695 . 0 0 "[ . ]" 1
806 2 47 VAL HA 2 48 THR H 5.000 . 5.000 3.553 3.543 3.563 . 0 0 "[ . ]" 1
807 2 47 VAL HB 2 48 THR H 5.000 . 5.000 3.821 3.273 4.132 . 0 0 "[ . ]" 1
808 2 47 VAL QG 2 48 THR H . . 3.500 1.939 1.884 2.027 . 0 0 "[ . ]" 1
809 2 48 THR H 2 48 THR HB . . 2.800 2.542 2.504 2.575 . 0 0 "[ . ]" 1
810 2 48 THR H 2 48 THR MG . . 3.500 2.341 2.294 2.372 . 0 0 "[ . ]" 1
811 2 48 THR H 2 49 ALA MB 5.000 . 5.000 4.183 4.073 4.364 . 0 0 "[ . ]" 1
812 2 48 THR HA 2 49 ALA HA 5.000 . 5.000 4.808 4.788 4.837 . 0 0 "[ . ]" 1
813 2 45 ASP HA 2 49 ALA MB 5.000 . 5.000 4.180 3.892 4.290 . 0 0 "[ . ]" 1
814 2 47 VAL HA 2 49 ALA MB 5.000 . 5.000 4.864 4.773 4.996 . 0 0 "[ . ]" 1
815 2 47 VAL QG 2 49 ALA MB 5.000 . 5.000 4.756 4.691 4.859 . 0 0 "[ . ]" 1
816 2 48 THR HB 2 49 ALA MB 5.000 . 5.000 5.308 5.254 5.357 0.357 1 0 "[ . ]" 1
817 2 45 ASP HA 2 49 ALA H 5.000 . 5.000 3.971 3.831 4.055 . 0 0 "[ . ]" 1
818 2 46 SER HA 2 49 ALA H 5.000 . 5.000 3.582 3.483 3.740 . 0 0 "[ . ]" 1
819 2 47 VAL HA 2 49 ALA H 5.000 . 5.000 4.304 4.151 4.447 . 0 0 "[ . ]" 1
820 2 47 VAL QG 2 49 ALA H 5.000 . 5.000 3.965 3.899 4.097 . 0 0 "[ . ]" 1
821 2 48 THR HA 2 49 ALA H 5.000 . 5.000 3.514 3.502 3.535 . 0 0 "[ . ]" 1
822 2 48 THR HB 2 49 ALA H . . 3.500 3.915 3.873 3.949 0.449 1 0 "[ . ]" 1
823 2 48 THR MG 2 49 ALA H . . 3.500 1.731 1.682 1.785 . 0 0 "[ . ]" 1
824 2 49 ALA H 2 49 ALA HA . . 2.800 2.817 2.800 2.835 0.035 2 0 "[ . ]" 1
825 2 49 ALA H 2 49 ALA MB 2.800 . 2.800 2.061 2.024 2.190 . 0 0 "[ . ]" 1
826 2 48 THR MG 2 50 ARG QD 5.000 . 5.000 5.141 4.820 6.038 1.038 6 2 "[ -.+ ]" 1
827 2 49 ALA MB 2 50 ARG QD 5.000 . 5.000 2.249 1.965 2.890 . 0 0 "[ . ]" 1
828 2 46 SER HA 2 50 ARG H 5.000 . 5.000 4.269 4.123 4.399 . 0 0 "[ . ]" 1
829 2 47 VAL HA 2 50 ARG H . . 3.500 3.497 3.256 3.712 0.212 1 0 "[ . ]" 1
830 2 47 VAL QG 2 50 ARG H 5.000 . 5.000 4.350 4.144 4.691 . 0 0 "[ . ]" 1
831 2 48 THR HA 2 50 ARG H 5.000 . 5.000 4.423 4.296 4.546 . 0 0 "[ . ]" 1
832 2 48 THR MG 2 50 ARG H 5.000 . 5.000 4.174 4.068 4.233 . 0 0 "[ . ]" 1
833 2 49 ALA HA 2 50 ARG H . . 3.500 3.540 3.523 3.550 0.050 3 0 "[ . ]" 1
834 2 49 ALA MB 2 50 ARG H . . 2.800 2.624 2.450 2.739 . 0 0 "[ . ]" 1
835 2 50 ARG H 2 50 ARG HA 2.800 . 2.800 2.874 2.835 2.889 0.089 5 0 "[ . ]" 1
836 2 50 ARG H 2 50 ARG QB . . 2.800 2.396 2.295 2.620 . 0 0 "[ . ]" 1
837 2 50 ARG H 2 51 LEU QD 5.000 . 5.000 5.351 5.243 5.463 0.463 6 0 "[ . ]" 1
838 2 51 LEU HA 2 51 LEU HB2 2.800 . 2.800 2.494 2.378 2.839 0.039 4 0 "[ . ]" 1
839 2 51 LEU HA 2 51 LEU QD 2.800 . 2.800 2.213 1.992 2.525 . 0 0 "[ . ]" 1
840 2 51 LEU HB2 2 51 LEU QD 2.800 . 2.800 2.162 2.095 2.316 . 0 0 "[ . ]" 1
841 2 51 LEU HB2 2 54 VAL QG 5.000 . 5.000 4.188 3.593 4.934 . 0 0 "[ . ]" 1
842 2 47 VAL HB 2 51 LEU QD 3.500 . 3.500 5.230 3.995 5.932 2.432 6 6 "[ *-**+*]" 1
843 2 49 ALA HA 2 51 LEU H 5.000 . 5.000 4.383 4.229 4.484 . 0 0 "[ . ]" 1
844 2 51 LEU H 2 51 LEU HB3 . . 2.800 2.624 2.385 3.305 0.505 4 1 "[ +. ]" 1
845 2 51 LEU H 2 51 LEU HB2 3.500 . 3.500 2.453 2.062 2.668 . 0 0 "[ . ]" 1
846 2 52 ARG HA 2 52 ARG QB 2.800 . 2.800 2.201 2.179 2.325 . 0 0 "[ . ]" 1
847 2 49 ALA HA 2 52 ARG QD 5.000 . 5.000 3.177 2.191 3.708 . 0 0 "[ . ]" 1
848 2 52 ARG QB 2 52 ARG QD 2.800 . 2.800 2.275 2.128 2.349 . 0 0 "[ . ]" 1
849 2 52 ARG QD 2 53 GLU QB 5.000 . 5.000 4.622 4.042 5.142 0.142 6 0 "[ . ]" 1
850 2 48 THR HA 2 52 ARG H 5.000 . 5.000 4.328 3.753 4.760 . 0 0 "[ . ]" 1
851 2 49 ALA HA 2 52 ARG H 5.000 . 5.000 4.077 3.746 4.266 . 0 0 "[ . ]" 1
852 2 51 LEU HB3 2 52 ARG H . . 3.500 2.686 2.501 2.832 . 0 0 "[ . ]" 1
853 2 51 LEU HB2 2 52 ARG H 5.000 . 5.000 3.792 3.067 4.050 . 0 0 "[ . ]" 1
854 2 52 ARG H 2 52 ARG HA 2.800 . 2.800 2.783 2.771 2.791 . 0 0 "[ . ]" 1
855 2 52 ARG H 2 52 ARG QB 2.800 . 2.800 2.503 2.476 2.578 . 0 0 "[ . ]" 1
856 2 52 ARG H 2 52 ARG QD 5.000 . 5.000 3.842 3.561 4.147 . 0 0 "[ . ]" 1
857 2 53 GLU HA 2 53 GLU QB 2.800 . 2.800 2.353 2.345 2.368 . 0 0 "[ . ]" 1
858 2 53 GLU HA 2 53 GLU HG3 3.500 . 3.500 2.717 2.515 3.105 . 0 0 "[ . ]" 1
859 2 53 GLU HA 2 56 HIS QB 5.000 . 5.000 2.714 2.335 3.372 . 0 0 "[ . ]" 1
860 2 53 GLU HA 2 56 HIS HD2 5.000 . 5.000 4.671 4.221 5.281 0.281 2 0 "[ . ]" 1
861 2 53 GLU QB 2 53 GLU HG2 2.800 . 2.800 2.338 2.324 2.352 . 0 0 "[ . ]" 1
862 2 53 GLU HG2 2 56 HIS QB 5.000 . 5.000 4.282 3.678 5.193 0.193 2 0 "[ . ]" 1
863 2 53 GLU H 2 53 GLU HA 2.800 . 2.800 2.878 2.855 2.887 0.087 6 0 "[ . ]" 1
864 2 53 GLU H 2 53 GLU QB . . 2.800 2.320 2.272 2.437 . 0 0 "[ . ]" 1
865 2 53 GLU H 2 54 VAL HA 5.000 . 5.000 5.060 4.988 5.179 0.179 3 0 "[ . ]" 1
866 2 53 GLU H 2 54 VAL QG 5.000 . 5.000 4.175 3.547 4.569 . 0 0 "[ . ]" 1
867 2 54 VAL QG 2 55 GLU HG2 5.000 . 5.000 3.969 2.813 4.450 . 0 0 "[ . ]" 1
868 2 53 GLU QB 2 54 VAL H 3.500 . 3.500 2.634 2.545 2.686 . 0 0 "[ . ]" 1
869 2 53 GLU HG3 2 54 VAL H 5.000 . 5.000 4.620 4.295 4.787 . 0 0 "[ . ]" 1
870 2 53 GLU HG2 2 54 VAL H 5.000 . 5.000 4.136 3.712 5.015 0.015 4 0 "[ . ]" 1
871 2 54 VAL H 2 54 VAL HB 3.500 . 3.500 2.445 2.121 3.655 0.155 3 0 "[ . ]" 1
872 2 54 VAL H 2 54 VAL QG . . 2.800 2.505 2.024 2.880 0.080 4 0 "[ . ]" 1
873 2 54 VAL QG 2 55 GLU HA 3.500 . 3.500 3.016 2.850 3.505 0.005 3 0 "[ . ]" 1
874 2 55 GLU HA 2 55 GLU QB 2.800 . 2.800 2.177 2.172 2.180 . 0 0 "[ . ]" 1
875 2 55 GLU HA 2 55 GLU HG2 3.500 . 3.500 3.716 3.669 3.737 0.237 4 0 "[ . ]" 1
876 2 55 GLU QB 2 56 HIS QB 5.000 . 5.000 4.543 4.232 4.721 . 0 0 "[ . ]" 1
877 2 55 GLU HG3 2 56 HIS QB 5.000 . 5.000 3.174 3.079 3.230 . 0 0 "[ . ]" 1
878 2 54 VAL HA 2 55 GLU H . . 3.500 3.554 3.548 3.562 0.062 4 0 "[ . ]" 1
879 2 54 VAL HB 2 55 GLU H . . 2.800 2.960 2.595 3.572 0.772 3 1 "[ + . ]" 1
880 2 54 VAL QG 2 55 GLU H 3.500 . 3.500 2.593 1.799 2.931 . 0 0 "[ . ]" 1
881 2 55 GLU H 2 55 GLU HA 2.800 . 2.800 2.851 2.836 2.873 0.073 3 0 "[ . ]" 1
882 2 55 GLU H 2 55 GLU QB . . 2.800 2.623 2.523 2.727 . 0 0 "[ . ]" 1
883 2 55 GLU H 2 55 GLU HG2 . . 3.500 1.966 1.823 2.063 . 0 0 "[ . ]" 1
884 2 55 GLU H 2 55 GLU HG3 . . 2.800 3.112 2.900 3.300 0.500 6 1 "[ .+ ]" 1
885 2 55 GLU H 2 56 HIS QB 5.000 . 5.000 4.272 4.217 4.327 . 0 0 "[ . ]" 1
886 2 56 HIS HA 2 56 HIS HD2 5.000 . 5.000 4.663 4.618 4.760 . 0 0 "[ . ]" 1
887 2 55 GLU HG2 2 56 HIS H 5.000 . 5.000 2.779 2.493 3.208 . 0 0 "[ . ]" 1
888 2 56 HIS H 2 56 HIS QB . . 2.800 2.439 2.240 2.949 0.149 2 0 "[ . ]" 1
889 2 56 HIS HD2 2 57 ARG HB3 5.000 . 5.000 4.984 4.525 5.817 0.817 2 1 "[ + . ]" 1
890 2 57 ARG HA 2 57 ARG QD 5.000 . 5.000 4.145 3.993 4.532 . 0 0 "[ . ]" 1
891 2 57 ARG HB3 2 57 ARG QD 3.500 . 3.500 2.560 2.377 2.934 . 0 0 "[ . ]" 1
892 2 57 ARG H 2 57 ARG HB3 . . 3.500 3.759 3.585 4.059 0.559 2 1 "[ + . ]" 1
893 2 55 GLU QB 2 58 ALA HA 3.500 . 3.500 5.298 3.582 6.213 2.713 6 5 "[- **+*]" 1
894 2 54 VAL HA 2 58 ALA MB 5.000 . 5.000 5.558 3.939 8.190 3.190 3 2 "[ -+ . ]" 1
895 2 57 ARG HA 2 58 ALA H . . 3.500 3.087 2.627 3.559 0.059 7 0 "[ . ]" 1
896 2 58 ALA H 2 58 ALA HA 2.800 . 2.800 2.342 2.268 2.752 . 0 0 "[ . ]" 1
897 2 58 ALA H 2 58 ALA MB . . 2.800 2.729 2.115 2.864 0.064 1 0 "[ . ]" 1
898 1 7 PHE QB 1 8 SER H . . 3.500 2.940 2.691 3.056 . 0 0 "[ . ]" 1
899 1 8 SER HG 1 10 LEU QD 5.000 . 5.000 6.973 6.556 7.370 2.370 2 7 [*+****-] 1
900 1 9 MET HA 1 10 LEU H . . 2.800 3.506 3.493 3.521 0.721 7 7 [****-*+] 1
901 1 13 ARG HB3 1 14 PHE QD 5.000 . 5.000 3.112 2.825 3.296 . 0 0 "[ . ]" 1
902 1 18 GLU HB3 1 19 ASP QB 5.000 . 5.000 4.918 4.079 5.352 0.352 1 0 "[ . ]" 1
903 1 20 LEU QB 1 21 LEU HA 5.000 . 5.000 4.562 4.487 4.730 . 0 0 "[ . ]" 1
904 1 32 LYS HA 1 34 ARG H 5.000 . 5.000 3.826 3.771 3.911 . 0 0 "[ . ]" 1
905 1 35 ARG HA 1 38 LYS HB3 3.500 . 3.500 3.558 2.920 4.409 0.909 3 3 "[ + - *]" 1
906 1 38 LYS H 1 38 LYS HG3 5.000 . 5.000 4.171 3.471 4.448 . 0 0 "[ . ]" 1
907 1 37 LEU HA 1 41 VAL H 5.000 . 5.000 4.057 3.929 4.228 . 0 0 "[ . ]" 1
908 1 40 THR HA 1 41 VAL H 5.000 . 5.000 3.450 3.408 3.517 . 0 0 "[ . ]" 1
909 1 43 GLU HA 1 44 LEU H . . 3.500 3.514 3.503 3.533 0.033 5 0 "[ . ]" 1
910 1 48 THR HA 1 49 ALA H . . 3.500 3.400 3.397 3.404 . 0 0 "[ . ]" 1
911 1 49 ALA HA 1 50 ARG H 3.500 . 3.500 3.531 3.511 3.538 0.038 7 0 "[ . ]" 1
912 1 49 ALA HA 1 51 LEU H 5.000 . 5.000 4.494 4.459 4.542 . 0 0 "[ . ]" 1
913 1 50 ARG HA 1 51 LEU QB 5.000 . 5.000 5.063 5.031 5.104 0.104 3 0 "[ . ]" 1
914 2 13 ARG HA 2 16 GLY H 5.000 . 5.000 4.222 3.857 4.903 . 0 0 "[ . ]" 1
915 2 28 MET QB 2 29 THR MG 5.000 . 5.000 4.999 4.662 5.202 0.202 7 0 "[ . ]" 1
916 2 31 GLU HA 2 32 LYS H 3.500 . 3.500 3.555 3.542 3.565 0.065 3 0 "[ . ]" 1
917 2 36 TYR QD 2 37 LEU QD 5.000 . 5.000 5.870 4.798 6.088 1.088 3 6 [-*+*.**] 1
918 2 37 LEU QD 2 40 THR H 5.000 . 5.000 4.099 3.884 4.277 . 0 0 "[ . ]" 1
919 2 39 ARG QB 2 41 VAL QG 5.000 . 5.000 5.455 4.992 5.706 0.706 7 5 "[ * *-*+]" 1
920 2 9 MET QB 2 42 THR HA 5.000 . 5.000 13.540 13.300 13.710 8.710 7 7 [***-**+] 1
921 2 42 THR HB 2 45 ASP QB 5.000 . 5.000 5.072 4.935 5.144 0.144 7 0 "[ . ]" 1
922 2 40 THR MG 2 44 LEU QB 5.000 . 5.000 4.690 4.325 6.275 1.275 3 1 "[ + . ]" 1
923 2 51 LEU HA 2 54 VAL HB 5.000 . 5.000 2.422 1.891 4.555 . 0 0 "[ . ]" 1
924 2 47 VAL QG 2 51 LEU QD 3.500 . 3.500 3.411 2.958 3.981 0.481 3 0 "[ . ]" 1
925 2 51 LEU QD 2 55 GLU HG2 5.000 . 5.000 3.568 2.625 4.070 . 0 0 "[ . ]" 1
926 2 50 ARG HA 2 51 LEU H 3.500 . 3.500 3.480 3.451 3.508 0.008 6 0 "[ . ]" 1
927 2 50 ARG QB 2 51 LEU H 3.500 . 3.500 2.830 2.602 2.930 . 0 0 "[ . ]" 1
928 2 51 LEU H 2 52 ARG HG2 5.000 . 5.000 4.276 3.956 5.508 0.508 6 1 "[ .+ ]" 1
929 2 49 ALA HA 2 52 ARG HB3 5.000 . 5.000 4.613 4.381 5.013 0.013 6 0 "[ . ]" 1
930 2 50 ARG HA 2 52 ARG H 5.000 . 5.000 4.215 3.941 4.537 . 0 0 "[ . ]" 1
931 2 53 GLU QB 2 54 VAL QG 5.000 . 5.000 3.613 3.300 3.937 . 0 0 "[ . ]" 1
932 2 54 VAL QG 2 55 GLU QB 5.000 . 5.000 3.361 2.999 3.622 . 0 0 "[ . ]" 1
933 2 52 ARG HA 2 55 GLU H 5.000 . 5.000 4.103 3.641 4.351 . 0 0 "[ . ]" 1
934 2 55 GLU HA 2 56 HIS H 3.500 . 3.500 3.460 3.325 3.522 0.022 4 0 "[ . ]" 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 256
_Distance_constraint_stats_list.Viol_count 491
_Distance_constraint_stats_list.Viol_total 2459.004
_Distance_constraint_stats_list.Viol_max 10.417
_Distance_constraint_stats_list.Viol_rms 0.7125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1960
_Distance_constraint_stats_list.Viol_average_violations_only 0.7155
_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 4 ASP 0.071 0.026 3 0 "[ . ]"
1 5 GLU 0.071 0.026 3 0 "[ . ]"
1 6 LEU 0.000 0.000 . 0 "[ . ]"
1 7 PHE 12.346 1.819 3 7 [**+***-]
1 8 SER 65.104 10.417 2 7 [*+****-]
1 9 MET 0.000 0.000 . 0 "[ . ]"
1 11 ASP 0.000 0.000 . 0 "[ . ]"
1 12 GLN 0.000 0.000 . 0 "[ . ]"
1 13 ARG 5.554 0.995 4 7 [*-*+***]
1 14 PHE 24.626 3.171 3 7 [*-+****]
1 15 GLY 0.205 0.205 2 0 "[ . ]"
1 16 GLY 0.205 0.205 2 0 "[ . ]"
1 17 GLY 27.440 3.919 1 7 [+**-***]
1 18 GLU 76.687 4.105 2 7 [*+-****]
1 19 ASP 25.767 3.919 1 7 [+******]
1 20 LEU 85.256 10.417 2 7 [*+*****]
1 21 LEU 67.174 4.105 2 7 [-+*****]
1 22 MET 6.130 1.761 7 5 "[** -* +]"
1 23 SER 16.092 1.841 1 7 [+**-***]
1 24 GLY 15.172 1.841 1 7 [+******]
1 25 ASP 3.687 0.686 4 6 [-**+.**]
1 26 ASN 0.214 0.121 4 0 "[ . ]"
1 27 GLY 0.606 0.201 5 0 "[ . ]"
1 28 MET 7.274 1.119 2 7 [*+-****]
1 29 THR 6.122 1.119 2 7 [*+*-***]
1 30 GLU 5.838 0.528 7 3 "[ *-. +]"
1 31 GLU 3.776 0.528 7 3 "[ *-. +]"
1 32 LYS 0.000 0.000 . 0 "[ . ]"
1 33 LEU 3.336 0.421 4 0 "[ . ]"
1 34 ARG 0.000 0.000 . 0 "[ . ]"
1 35 ARG 6.171 1.522 5 5 "[* *+-*]"
1 36 TYR 5.262 0.504 4 1 "[ +. ]"
1 37 LEU 24.776 3.171 3 7 [**+-***]
1 38 LYS 5.285 1.522 5 5 "[* *+-*]"
1 39 ARG 2.383 0.669 5 1 "[ + ]"
1 40 THR 2.626 0.669 5 1 "[ + ]"
1 41 VAL 5.116 0.654 3 7 [**+***-]
1 42 THR 1.730 0.654 3 1 "[ + . ]"
1 43 GLU 0.000 0.000 . 0 "[ . ]"
1 44 LEU 0.000 0.000 . 0 "[ . ]"
1 45 ASP 3.622 0.580 5 6 "[** *+*-]"
1 46 SER 1.805 0.904 7 2 "[ - . +]"
1 47 VAL 1.805 0.904 7 2 "[ - . +]"
1 48 THR 0.000 0.000 . 0 "[ . ]"
1 49 ALA 0.052 0.021 2 0 "[ . ]"
1 50 ARG 0.566 0.126 4 0 "[ . ]"
1 51 LEU 0.000 0.000 . 0 "[ . ]"
1 53 GLU 0.000 0.000 . 0 "[ . ]"
1 54 VAL 0.000 0.000 . 0 "[ . ]"
1 60 GLU 0.919 0.544 7 1 "[ . +]"
2 1 ALA 0.000 0.000 . 0 "[ . ]"
2 2 SER 0.004 0.003 5 0 "[ . ]"
2 3 ASP 0.000 0.000 . 0 "[ . ]"
2 4 ASP 0.000 0.000 . 0 "[ . ]"
2 5 GLU 0.342 0.058 2 0 "[ . ]"
2 6 LEU 3.504 0.443 2 0 "[ . ]"
2 7 PHE 0.260 0.052 3 0 "[ . ]"
2 8 SER 2.936 0.443 2 0 "[ . ]"
2 9 MET 2.985 0.528 2 1 "[ + . ]"
2 10 LEU 1.976 0.521 6 1 "[ .+ ]"
2 11 ASP 0.000 0.000 . 0 "[ . ]"
2 12 GLN 2.875 0.528 2 1 "[ + . ]"
2 13 ARG 0.000 0.000 . 0 "[ . ]"
2 14 PHE 19.938 3.082 6 7 [**-**+*]
2 15 GLY 0.000 0.000 . 0 "[ . ]"
2 16 GLY 1.829 0.741 4 1 "[ +. ]"
2 17 GLY 1.829 0.741 4 1 "[ +. ]"
2 18 GLU 6.285 0.586 1 4 "[+ **- ]"
2 19 ASP 5.024 0.586 1 4 "[+ **- ]"
2 20 LEU 5.698 1.782 4 3 "[ *+- ]"
2 21 LEU 1.449 0.320 6 0 "[ . ]"
2 22 MET 0.319 0.080 5 0 "[ . ]"
2 23 SER 1.540 0.863 4 1 "[ +. ]"
2 24 GLY 1.221 0.863 4 1 "[ +. ]"
2 25 ASP 0.434 0.139 3 0 "[ . ]"
2 26 ASN 0.376 0.177 4 0 "[ . ]"
2 27 GLY 2.096 0.912 5 2 "[ + -]"
2 28 MET 1.797 0.912 5 2 "[ + -]"
2 29 THR 17.046 2.689 5 7 [*-**+**]
2 30 GLU 0.366 0.242 2 0 "[ . ]"
2 31 GLU 0.816 0.229 1 0 "[ . ]"
2 32 LYS 0.000 0.000 . 0 "[ . ]"
2 33 LEU 0.366 0.242 2 0 "[ . ]"
2 34 ARG 17.862 2.689 5 7 [*-**+**]
2 35 ARG 0.000 0.000 . 0 "[ . ]"
2 36 TYR 0.000 0.000 . 0 "[ . ]"
2 37 LEU 0.000 0.000 . 0 "[ . ]"
2 38 LYS 0.000 0.000 . 0 "[ . ]"
2 39 ARG 1.161 0.412 3 0 "[ . ]"
2 40 THR 1.277 0.508 5 1 "[ + ]"
2 41 VAL 6.427 1.083 7 6 "[** *-*+]"
2 42 THR 0.751 0.412 3 0 "[ . ]"
2 43 GLU 0.000 0.000 . 0 "[ . ]"
2 44 LEU 30.743 3.082 6 7 [*****+*]
2 45 ASP 0.000 0.000 . 0 "[ . ]"
2 46 SER 3.687 0.648 1 4 "[+-* . *]"
2 47 VAL 0.234 0.064 7 0 "[ . ]"
2 48 THR 7.299 0.748 1 6 "[+** -**]"
2 49 ALA 0.000 0.000 . 0 "[ . ]"
2 50 ARG 1.434 0.537 4 1 "[ +. ]"
2 51 LEU 0.533 0.114 4 0 "[ . ]"
2 52 ARG 4.886 0.927 3 6 "[**+*- *]"
2 53 GLU 0.196 0.085 3 0 "[ . ]"
2 54 VAL 6.984 0.927 3 6 "[**+*- *]"
2 55 GLU 1.021 0.283 6 0 "[ . ]"
2 56 HIS 0.356 0.085 6 0 "[ . ]"
2 57 ARG 1.207 0.396 5 0 "[ . ]"
2 58 ALA 0.057 0.057 4 0 "[ . ]"
2 59 GLY 0.057 0.057 4 0 "[ . ]"
2 60 GLU 0.000 0.000 . 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 SER HG 1 20 LEU QB 5.000 . 5.000 12.537 9.841 15.417 10.417 2 7 [*+****-] 2
2 1 14 PHE QD 1 37 LEU HA 5.000 . 5.000 7.787 6.907 8.171 3.171 3 7 [**+*-**] 2
3 2 14 PHE QD 2 44 LEU QD 5.000 . 5.000 7.848 6.984 8.082 3.082 6 7 [**-**+*] 2
4 2 30 GLU HA 2 33 LEU HG 5.000 . 5.000 4.321 2.918 5.242 0.242 2 0 "[ . ]" 2
5 2 33 LEU QD 2 37 LEU QD 5.000 . 5.000 3.600 1.833 4.343 . 0 0 "[ . ]" 2
6 2 29 THR MG 2 34 ARG HA 5.000 . 5.000 7.435 7.192 7.689 2.689 5 7 [*-**+**] 2
7 2 40 THR HB 2 41 VAL QG 5.000 . 5.000 4.423 3.762 5.508 0.508 5 1 "[ + ]" 2
8 2 43 GLU QB 2 44 LEU QB 5.000 . 5.000 3.884 3.645 4.583 . 0 0 "[ . ]" 2
9 2 10 LEU QD 2 44 LEU QD 5.000 . 5.000 5.212 4.618 5.521 0.521 6 1 "[ .+ ]" 2
10 2 44 LEU QD 2 47 VAL QG 5.000 . 5.000 2.956 2.690 3.309 . 0 0 "[ . ]" 2
11 2 51 LEU HA 2 54 VAL QG 5.000 . 5.000 2.549 1.659 2.912 . 0 0 "[ . ]" 2
12 2 51 LEU HB3 2 54 VAL QG 5.000 . 5.000 4.704 4.102 4.935 . 0 0 "[ . ]" 2
13 2 54 VAL QG 2 55 GLU HG3 5.000 . 5.000 4.933 4.148 5.283 0.283 6 0 "[ . ]" 2
14 1 13 ARG QG 1 14 PHE H 3.500 . 3.500 4.231 4.029 4.495 0.995 4 7 [*-*+***] 2
15 1 28 MET QB 1 29 THR H 3.500 . 3.500 2.072 1.549 2.722 . 0 0 "[ . ]" 2
16 1 35 ARG QB 1 36 TYR H 3.500 . 3.500 3.129 3.039 3.438 . 0 0 "[ . ]" 2
17 1 35 ARG QB 1 37 LEU H 5.000 . 5.000 5.176 4.950 5.652 0.652 5 1 "[ + ]" 2
18 1 36 TYR HA 1 37 LEU H 3.500 . 3.500 3.576 3.528 3.597 0.097 4 0 "[ . ]" 2
19 1 41 VAL HA 1 42 THR H 3.500 . 3.500 3.540 3.520 3.551 0.051 4 0 "[ . ]" 2
20 1 42 THR HA 1 43 GLU H 3.500 . 3.500 3.478 3.452 3.499 . 0 0 "[ . ]" 2
21 1 43 GLU QB 1 44 LEU H 3.500 . 3.500 2.485 2.350 2.659 . 0 0 "[ . ]" 2
22 1 50 ARG H 1 50 ARG HB3 3.500 . 3.500 3.581 3.551 3.626 0.126 4 0 "[ . ]" 2
23 2 6 LEU HA 2 7 PHE H 3.500 . 3.500 3.535 3.521 3.552 0.052 3 0 "[ . ]" 2
24 2 6 LEU HG 2 7 PHE H 5.000 . 5.000 4.763 3.872 4.938 . 0 0 "[ . ]" 2
25 2 18 GLU H 2 18 GLU HB2 3.500 . 3.500 3.395 2.458 4.056 0.556 1 1 "[+ . ]" 2
26 2 22 MET HA 2 23 SER H 3.500 . 3.500 3.546 3.526 3.580 0.080 5 0 "[ . ]" 2
27 2 28 MET H 2 28 MET QB 3.500 . 3.500 2.761 2.445 3.358 . 0 0 "[ . ]" 2
28 2 30 GLU QB 2 31 GLU H . . 2.800 2.476 2.295 2.592 . 0 0 "[ . ]" 2
29 2 38 LYS H 2 40 THR H 5.000 . 5.000 4.282 4.156 4.400 . 0 0 "[ . ]" 2
30 2 43 GLU HA 2 46 SER H 3.500 . 3.500 3.278 3.204 3.435 . 0 0 "[ . ]" 2
31 2 50 ARG H 2 50 ARG QG 3.500 . 3.500 3.070 2.086 3.498 . 0 0 "[ . ]" 2
32 2 51 LEU HA 2 52 ARG H 3.500 . 3.500 3.540 3.494 3.560 0.060 2 0 "[ . ]" 2
33 2 51 LEU HG 2 52 ARG H 5.000 . 5.000 4.035 3.315 5.036 0.036 2 0 "[ . ]" 2
34 2 51 LEU H 2 53 GLU H 5.000 . 5.000 4.318 4.064 4.551 . 0 0 "[ . ]" 2
35 2 52 ARG HB3 2 53 GLU H 5.000 . 5.000 3.894 3.609 4.026 . 0 0 "[ . ]" 2
36 2 52 ARG H 2 54 VAL H 3.500 . 3.500 4.121 3.964 4.427 0.927 3 6 "[**+*- *]" 2
37 2 55 GLU QB 2 56 HIS H 3.500 . 3.500 2.992 1.875 3.465 . 0 0 "[ . ]" 2
38 1 4 ASP HA 1 5 GLU H 3.500 . 3.500 3.509 3.492 3.526 0.026 3 0 "[ . ]" 2
39 1 4 ASP QB 1 5 GLU H 5.000 . 5.000 2.702 2.575 2.885 . 0 0 "[ . ]" 2
40 1 5 GLU H 1 5 GLU HA 2.800 . 2.800 2.745 2.731 2.754 . 0 0 "[ . ]" 2
41 1 6 LEU HB2 1 7 PHE H 5.000 . 5.000 2.517 2.483 2.542 . 0 0 "[ . ]" 2
42 1 7 PHE H 1 8 SER H . . 3.500 2.517 2.495 2.547 . 0 0 "[ . ]" 2
43 1 7 PHE H 1 8 SER HG 5.000 . 5.000 6.764 6.715 6.819 1.819 3 7 [**+***-] 2
44 1 8 SER H 1 9 MET H 3.500 . 3.500 2.752 2.665 2.832 . 0 0 "[ . ]" 2
45 1 11 ASP H 1 12 GLN H 2.800 . 2.800 2.645 2.604 2.681 . 0 0 "[ . ]" 2
46 1 12 GLN H 1 13 ARG H 2.800 . 2.800 2.471 2.428 2.507 . 0 0 "[ . ]" 2
47 1 13 ARG H 1 13 ARG HA 2.800 . 2.800 2.863 2.850 2.873 0.073 4 0 "[ . ]" 2
48 1 13 ARG HA 1 14 PHE H 3.500 . 3.500 3.494 3.482 3.499 . 0 0 "[ . ]" 2
49 1 13 ARG QB 1 14 PHE H 3.500 . 3.500 2.515 2.455 2.600 . 0 0 "[ . ]" 2
50 1 13 ARG H 1 14 PHE H . . 2.800 2.457 2.418 2.505 . 0 0 "[ . ]" 2
51 1 13 ARG H 1 15 GLY H 5.000 . 5.000 3.701 3.601 3.766 . 0 0 "[ . ]" 2
52 1 14 PHE HA 1 15 GLY H 3.500 . 3.500 3.422 3.391 3.448 . 0 0 "[ . ]" 2
53 1 15 GLY H 1 16 GLY H . . 2.800 2.520 1.855 3.005 0.205 2 0 "[ . ]" 2
54 1 14 PHE H 1 16 GLY H 5.000 . 5.000 4.510 3.767 4.836 . 0 0 "[ . ]" 2
55 1 17 GLY H 1 18 GLU H 2.800 . 2.800 3.299 2.168 4.136 1.336 6 4 "[* *-+ ]" 2
56 1 17 GLY H 1 19 ASP H 3.500 . 3.500 6.369 5.051 7.419 3.919 1 7 [+-*****] 2
57 1 18 GLU HA 1 21 LEU H 5.000 . 5.000 8.351 7.477 8.818 3.818 1 7 [+-*****] 2
58 1 17 GLY H 1 18 GLU QB 5.000 . 5.000 5.023 3.973 6.221 1.221 6 2 "[ -.+ ]" 2
59 1 18 GLU H 1 18 GLU QB 2.800 . 2.800 2.920 2.417 3.365 0.565 1 3 "[+*- . ]" 2
60 1 18 GLU QB 1 19 ASP H 2.800 . 2.800 1.871 1.536 2.501 . 0 0 "[ . ]" 2
61 1 18 GLU QG 1 21 LEU H 5.000 . 5.000 7.982 6.728 9.105 4.105 2 7 [-+*****] 2
62 1 18 GLU H 1 19 ASP H 3.500 . 3.500 4.301 3.847 4.632 1.132 5 6 "[- **+**]" 2
63 1 19 ASP HA 1 20 LEU H 3.500 . 3.500 3.468 3.459 3.474 . 0 0 "[ . ]" 2
64 1 19 ASP H 1 20 LEU H 2.800 . 2.800 2.455 1.945 2.880 0.080 2 0 "[ . ]" 2
65 1 18 GLU H 1 20 LEU H 3.500 . 3.500 6.023 4.141 6.554 3.054 5 7 [*-**+**] 2
66 1 20 LEU H 1 21 LEU H 2.800 . 2.800 4.540 4.156 4.618 1.818 2 7 [*+*-***] 2
67 1 20 LEU H 1 21 LEU QD 5.000 . 5.000 5.211 4.543 6.296 1.296 1 2 "[+ - ]" 2
68 1 21 LEU H 1 22 MET H . . 2.800 3.404 2.638 4.561 1.761 7 3 "[*- . +]" 2
69 1 21 LEU H 1 23 SER H 5.000 . 5.000 5.195 3.698 6.052 1.052 2 3 "[-+ . *]" 2
70 1 22 MET QG 1 23 SER H 5.000 . 5.000 3.333 1.986 4.030 . 0 0 "[ . ]" 2
71 1 22 MET H 1 23 SER H 2.800 . 2.800 2.691 1.989 3.567 0.767 5 2 "[ -+ ]" 2
72 1 23 SER H 1 24 GLY H 2.800 . 2.800 4.441 4.149 4.641 1.841 1 7 [+****-*] 2
73 1 24 GLY H 1 25 ASP H 3.500 . 3.500 3.913 2.705 4.186 0.686 4 6 [-**+.**] 2
74 1 26 ASN HA 1 27 GLY H 2.800 . 2.800 2.392 2.164 2.921 0.121 4 0 "[ . ]" 2
75 1 27 GLY H 1 28 MET H 2.800 . 2.800 2.507 2.053 3.001 0.201 5 0 "[ . ]" 2
76 1 28 MET H 1 28 MET QB 2.800 . 2.800 2.805 2.515 3.406 0.606 3 1 "[ + . ]" 2
77 1 28 MET H 1 29 THR H 3.500 . 3.500 4.375 4.153 4.619 1.119 2 7 [*+*-***] 2
78 1 29 THR H 1 30 GLU H 3.500 . 3.500 2.645 2.218 2.793 . 0 0 "[ . ]" 2
79 1 29 THR H 1 31 GLU H 5.000 . 5.000 4.483 4.317 4.649 . 0 0 "[ . ]" 2
80 1 30 GLU H 1 30 GLU HA 2.800 . 2.800 2.752 2.721 2.774 . 0 0 "[ . ]" 2
81 1 30 GLU HA 1 31 GLU H 3.500 . 3.500 3.559 3.548 3.576 0.076 3 0 "[ . ]" 2
82 1 30 GLU HB3 1 33 LEU H 5.000 . 5.000 5.295 5.077 5.421 0.421 4 0 "[ . ]" 2
83 1 30 GLU H 1 31 GLU HA 5.000 . 5.000 5.481 5.403 5.528 0.528 7 3 "[ *-. +]" 2
84 1 31 GLU HA 1 33 LEU H 5.000 . 5.000 4.771 4.685 4.820 . 0 0 "[ . ]" 2
85 1 31 GLU H 1 32 LYS H 3.500 . 3.500 3.048 2.928 3.135 . 0 0 "[ . ]" 2
86 1 32 LYS HA 1 33 LEU H 5.000 . 5.000 3.516 3.497 3.530 . 0 0 "[ . ]" 2
87 1 32 LYS QB 1 33 LEU H 5.000 . 5.000 2.217 2.113 2.304 . 0 0 "[ . ]" 2
88 1 32 LYS H 1 33 LEU H 2.800 . 2.800 2.575 2.514 2.652 . 0 0 "[ . ]" 2
89 1 33 LEU H 1 34 ARG H 3.500 . 3.500 2.739 2.703 2.775 . 0 0 "[ . ]" 2
90 1 33 LEU H 1 36 TYR H 5.000 . 5.000 5.170 4.912 5.288 0.288 7 0 "[ . ]" 2
91 1 34 ARG H 1 35 ARG H 2.800 . 2.800 2.599 2.521 2.679 . 0 0 "[ . ]" 2
92 1 35 ARG HA 1 38 LYS H 3.500 . 3.500 4.199 3.952 5.022 1.522 5 5 "[* *+-*]" 2
93 1 35 ARG H 1 35 ARG QB 2.800 . 2.800 2.769 2.736 2.801 0.001 6 0 "[ . ]" 2
94 1 35 ARG H 1 35 ARG QG 3.500 . 3.500 1.786 1.741 1.812 . 0 0 "[ . ]" 2
95 1 35 ARG QG 1 36 TYR H 5.000 . 5.000 1.808 1.674 2.241 . 0 0 "[ . ]" 2
96 1 35 ARG H 1 36 TYR H 2.800 . 2.800 2.596 2.432 2.669 . 0 0 "[ . ]" 2
97 1 35 ARG H 1 37 LEU H 5.000 . 5.000 4.109 3.968 4.414 . 0 0 "[ . ]" 2
98 1 36 TYR QD 1 37 LEU H 5.000 . 5.000 4.159 3.974 4.250 . 0 0 "[ . ]" 2
99 1 36 TYR H 1 37 LEU H 2.800 . 2.800 2.874 2.625 3.012 0.212 4 0 "[ . ]" 2
100 1 36 TYR H 1 38 LYS H 5.000 . 5.000 4.692 4.123 4.908 . 0 0 "[ . ]" 2
101 1 36 TYR H 1 37 LEU HA 5.000 . 5.000 5.395 5.158 5.504 0.504 4 1 "[ +. ]" 2
102 1 37 LEU QB 1 38 LYS H 2.800 . 2.800 2.230 1.970 2.438 . 0 0 "[ . ]" 2
103 1 37 LEU QB 1 39 ARG H 5.000 . 5.000 4.415 4.305 4.554 . 0 0 "[ . ]" 2
104 1 37 LEU QD 1 38 LYS H 5.000 . 5.000 3.243 2.454 4.034 . 0 0 "[ . ]" 2
105 1 38 LYS HA 1 42 THR H 5.000 . 5.000 4.729 4.321 5.320 0.320 5 0 "[ . ]" 2
106 1 38 LYS H 1 38 LYS QB 2.800 . 2.800 2.302 2.237 2.428 . 0 0 "[ . ]" 2
107 1 38 LYS H 1 38 LYS QG 5.000 . 5.000 3.503 2.275 3.984 . 0 0 "[ . ]" 2
108 1 38 LYS H 1 39 ARG H 2.800 . 2.800 2.782 2.673 2.865 0.065 1 0 "[ . ]" 2
109 1 39 ARG H 1 39 ARG QB 2.800 . 2.800 2.288 2.231 2.311 . 0 0 "[ . ]" 2
110 1 39 ARG HB3 1 40 THR H 2.800 . 2.800 3.034 2.157 3.469 0.669 5 1 "[ + ]" 2
111 1 39 ARG HB2 1 40 THR H 3.500 . 3.500 2.521 2.219 3.528 0.028 1 0 "[ . ]" 2
112 1 40 THR H 1 41 VAL H . . 2.800 2.831 2.735 2.901 0.101 2 0 "[ . ]" 2
113 1 41 VAL H 1 41 VAL HA 2.800 . 2.800 2.835 2.809 2.848 0.048 5 0 "[ . ]" 2
114 1 41 VAL HA 1 45 ASP H 3.500 . 3.500 4.017 3.963 4.080 0.580 5 6 "[** *+*-]" 2
115 1 41 VAL HB 1 42 THR H 2.800 . 2.800 2.571 2.301 3.454 0.654 3 1 "[ + . ]" 2
116 1 41 VAL H 1 42 THR H 2.800 . 2.800 2.630 2.610 2.669 . 0 0 "[ . ]" 2
117 1 41 VAL H 1 44 LEU H 5.000 . 5.000 4.312 4.254 4.376 . 0 0 "[ . ]" 2
118 1 42 THR H 1 42 THR HA 2.800 . 2.800 2.868 2.855 2.882 0.082 7 0 "[ . ]" 2
119 1 42 THR HA 1 45 ASP H 3.500 . 3.500 3.012 2.987 3.069 . 0 0 "[ . ]" 2
120 1 42 THR H 1 42 THR HB 2.800 . 2.800 2.328 2.301 2.357 . 0 0 "[ . ]" 2
121 1 43 GLU QG 1 44 LEU H 5.000 . 5.000 4.099 3.983 4.272 . 0 0 "[ . ]" 2
122 1 43 GLU H 1 44 LEU H 2.800 . 2.800 2.554 2.514 2.596 . 0 0 "[ . ]" 2
123 1 44 LEU H 1 45 ASP H 3.500 . 3.500 2.292 2.266 2.319 . 0 0 "[ . ]" 2
124 1 45 ASP H 1 45 ASP QB 2.800 . 2.800 2.246 2.237 2.252 . 0 0 "[ . ]" 2
125 1 45 ASP QB 1 46 SER H 3.500 . 3.500 3.057 3.036 3.086 . 0 0 "[ . ]" 2
126 1 45 ASP H 1 46 SER H 3.500 . 3.500 2.435 2.410 2.478 . 0 0 "[ . ]" 2
127 1 44 LEU H 1 46 SER H 5.000 . 5.000 3.596 3.536 3.646 . 0 0 "[ . ]" 2
128 1 46 SER H 1 47 VAL H 2.800 . 2.800 2.498 2.434 2.584 . 0 0 "[ . ]" 2
129 1 46 SER H 1 47 VAL HB 5.000 . 5.000 4.908 4.433 5.904 0.904 7 2 "[ - . +]" 2
130 1 47 VAL H 1 48 THR H 2.800 . 2.800 2.663 2.615 2.703 . 0 0 "[ . ]" 2
131 1 46 SER H 1 48 THR H 5.000 . 5.000 3.541 3.530 3.562 . 0 0 "[ . ]" 2
132 1 48 THR H 1 49 ALA H 2.800 . 2.800 2.488 2.462 2.509 . 0 0 "[ . ]" 2
133 1 49 ALA H 1 49 ALA HA 2.800 . 2.800 2.806 2.791 2.821 0.021 2 0 "[ . ]" 2
134 1 50 ARG HB3 1 51 LEU H 5.000 . 5.000 3.755 3.635 4.029 . 0 0 "[ . ]" 2
135 1 50 ARG H 1 50 ARG HB2 2.800 . 2.800 2.389 2.301 2.727 . 0 0 "[ . ]" 2
136 1 50 ARG HB2 1 51 LEU H 5.000 . 5.000 2.920 2.860 2.974 . 0 0 "[ . ]" 2
137 1 53 GLU HA 1 54 VAL H 5.000 . 5.000 3.442 3.416 3.468 . 0 0 "[ . ]" 2
138 1 60 GLU H 1 60 GLU HB3 3.500 . 3.500 3.371 2.532 4.044 0.544 7 1 "[ . +]" 2
139 1 60 GLU H 1 60 GLU HB2 3.500 . 3.500 2.959 2.507 3.551 0.051 3 0 "[ . ]" 2
140 2 1 ALA MB 2 2 SER H 3.500 . 3.500 3.015 2.954 3.027 . 0 0 "[ . ]" 2
141 2 2 SER H 2 2 SER HA 2.800 . 2.800 2.798 2.787 2.803 0.003 5 0 "[ . ]" 2
142 2 3 ASP H 2 4 ASP H . . 3.500 2.658 2.619 2.708 . 0 0 "[ . ]" 2
143 2 4 ASP H 2 5 GLU H . . 3.500 2.781 2.698 2.847 . 0 0 "[ . ]" 2
144 2 5 GLU HA 2 6 LEU H 3.500 . 3.500 3.549 3.532 3.558 0.058 2 0 "[ . ]" 2
145 2 5 GLU QB 2 6 LEU H 3.500 . 3.500 2.452 2.385 2.546 . 0 0 "[ . ]" 2
146 2 5 GLU H 2 5 GLU QG 5.000 . 5.000 3.980 3.968 4.040 . 0 0 "[ . ]" 2
147 2 6 LEU H 2 6 LEU QB 2.800 . 2.800 2.438 2.396 2.606 . 0 0 "[ . ]" 2
148 2 6 LEU H 2 7 PHE H 3.500 . 3.500 2.582 2.503 2.659 . 0 0 "[ . ]" 2
149 2 7 PHE HA 2 8 SER H 3.500 . 3.500 3.494 3.483 3.514 0.014 5 0 "[ . ]" 2
150 2 7 PHE H 2 8 SER H . . 3.500 2.677 2.633 2.734 . 0 0 "[ . ]" 2
151 2 6 LEU H 2 8 SER H 3.500 . 3.500 3.917 3.885 3.943 0.443 2 0 "[ . ]" 2
152 2 8 SER H 2 10 LEU H 5.000 . 5.000 4.165 4.037 4.309 . 0 0 "[ . ]" 2
153 2 9 MET HA 2 10 LEU H 3.500 . 3.500 3.512 3.487 3.539 0.039 4 0 "[ . ]" 2
154 2 9 MET HA 2 12 GLN H 3.500 . 3.500 3.911 3.779 4.028 0.528 2 1 "[ + . ]" 2
155 2 8 SER H 2 9 MET H 3.500 . 3.500 2.711 2.640 2.791 . 0 0 "[ . ]" 2
156 2 9 MET H 2 10 LEU H 3.500 . 3.500 2.699 2.638 2.758 . 0 0 "[ . ]" 2
157 2 10 LEU H 2 11 ASP H 3.500 . 3.500 2.553 2.474 2.653 . 0 0 "[ . ]" 2
158 2 11 ASP H 2 12 GLN H 3.500 . 3.500 2.842 2.791 2.922 . 0 0 "[ . ]" 2
159 2 12 GLN QB 2 13 ARG H 2.800 . 2.800 2.495 2.351 2.634 . 0 0 "[ . ]" 2
160 2 12 GLN H 2 13 ARG H 3.500 . 3.500 2.592 2.537 2.640 . 0 0 "[ . ]" 2
161 2 13 ARG H 2 14 PHE H 3.500 . 3.500 2.640 2.572 2.729 . 0 0 "[ . ]" 2
162 2 12 GLN H 2 14 PHE H 5.000 . 5.000 4.104 3.926 4.200 . 0 0 "[ . ]" 2
163 2 14 PHE H 2 15 GLY H 2.800 . 2.800 2.564 2.506 2.602 . 0 0 "[ . ]" 2
164 2 15 GLY H 2 16 GLY H 3.500 . 3.500 2.462 1.912 2.897 . 0 0 "[ . ]" 2
165 2 16 GLY HA3 2 17 GLY H 2.800 . 2.800 2.964 2.166 3.541 0.741 4 1 "[ +. ]" 2
166 2 16 GLY H 2 16 GLY HA2 2.800 . 2.800 2.583 2.299 2.798 . 0 0 "[ . ]" 2
167 2 18 GLU HB3 2 19 ASP H 2.800 . 2.800 2.975 1.653 3.386 0.586 1 2 "[+ - ]" 2
168 2 18 GLU HB2 2 19 ASP H 3.500 . 3.500 2.565 1.606 4.029 0.529 3 1 "[ + . ]" 2
169 2 18 GLU QG 2 19 ASP H 3.500 . 3.500 3.329 2.014 4.058 0.558 4 1 "[ +. ]" 2
170 2 19 ASP H 2 20 LEU H . . 2.800 2.301 1.986 2.727 . 0 0 "[ . ]" 2
171 2 20 LEU H 2 20 LEU HA 2.800 . 2.800 2.746 2.268 2.862 0.062 6 0 "[ . ]" 2
172 2 20 LEU HA 2 21 LEU H 2.800 . 2.800 2.180 2.165 2.198 . 0 0 "[ . ]" 2
173 2 20 LEU QB 2 21 LEU H 2.800 . 2.800 2.986 2.923 3.120 0.320 6 0 "[ . ]" 2
174 2 20 LEU H 2 20 LEU HG 2.800 . 2.800 3.183 2.265 4.582 1.782 4 3 "[ *+- ]" 2
175 2 21 LEU H 2 21 LEU HA 2.800 . 2.800 2.821 2.799 2.856 0.056 6 0 "[ . ]" 2
176 2 22 MET HB3 2 23 SER H 5.000 . 5.000 3.364 2.508 3.917 . 0 0 "[ . ]" 2
177 2 22 MET HB2 2 23 SER H 5.000 . 5.000 3.248 2.393 3.865 . 0 0 "[ . ]" 2
178 2 23 SER H 2 23 SER QB 3.500 . 3.500 2.938 2.253 3.371 . 0 0 "[ . ]" 2
179 2 23 SER QB 2 24 GLY H 2.800 . 2.800 2.497 1.682 3.663 0.863 4 1 "[ +. ]" 2
180 2 24 GLY H 2 24 GLY QA 2.800 . 2.800 2.414 2.196 2.502 . 0 0 "[ . ]" 2
181 2 24 GLY QA 2 25 ASP H 2.800 . 2.800 2.189 2.110 2.575 . 0 0 "[ . ]" 2
182 2 25 ASP H 2 25 ASP HA 2.800 . 2.800 2.851 2.800 2.939 0.139 3 0 "[ . ]" 2
183 2 25 ASP QB 2 26 ASN H 5.000 . 5.000 3.579 2.536 4.004 . 0 0 "[ . ]" 2
184 2 24 GLY H 2 25 ASP H 5.000 . 5.000 3.884 2.885 4.141 . 0 0 "[ . ]" 2
185 2 25 ASP H 2 26 ASN H 2.800 . 2.800 2.272 1.815 2.876 0.076 3 0 "[ . ]" 2
186 2 26 ASN HA 2 27 GLY H 2.800 . 2.800 2.406 2.157 2.977 0.177 4 0 "[ . ]" 2
187 2 26 ASN H 2 26 ASN QB 3.500 . 3.500 2.624 2.446 3.010 . 0 0 "[ . ]" 2
188 2 26 ASN QB 2 27 GLY H 5.000 . 5.000 2.812 1.682 3.736 . 0 0 "[ . ]" 2
189 2 27 GLY H 2 28 MET H 2.800 . 2.800 2.718 1.979 3.712 0.912 5 2 "[ + -]" 2
190 2 28 MET H 2 28 MET QG 3.500 . 3.500 2.680 1.861 3.300 . 0 0 "[ . ]" 2
191 2 28 MET H 2 29 THR H 5.000 . 5.000 4.338 4.069 4.623 . 0 0 "[ . ]" 2
192 2 29 THR H 2 29 THR HB 3.500 . 3.500 2.558 2.518 2.603 . 0 0 "[ . ]" 2
193 2 29 THR HB 2 30 GLU H 3.500 . 3.500 2.579 2.425 2.784 . 0 0 "[ . ]" 2
194 2 29 THR H 2 30 GLU H 5.000 . 5.000 2.713 2.515 2.887 . 0 0 "[ . ]" 2
195 2 30 GLU H 2 31 GLU H 3.500 . 3.500 2.852 2.755 2.954 . 0 0 "[ . ]" 2
196 2 31 GLU HA 2 34 ARG H 3.500 . 3.500 3.617 3.514 3.729 0.229 1 0 "[ . ]" 2
197 2 31 GLU H 2 32 LYS H 3.500 . 3.500 2.942 2.844 3.037 . 0 0 "[ . ]" 2
198 2 32 LYS H 2 33 LEU H 3.500 . 3.500 2.514 2.431 2.594 . 0 0 "[ . ]" 2
199 2 33 LEU HA 2 34 ARG H 3.500 . 3.500 3.419 3.389 3.470 . 0 0 "[ . ]" 2
200 2 33 LEU H 2 34 ARG H . . 3.500 2.619 2.570 2.647 . 0 0 "[ . ]" 2
201 2 34 ARG HA 2 37 LEU H 5.000 . 5.000 4.431 4.277 4.869 . 0 0 "[ . ]" 2
202 2 34 ARG H 2 34 ARG QG 5.000 . 5.000 3.087 2.352 4.023 . 0 0 "[ . ]" 2
203 2 35 ARG HA 2 38 LYS H 5.000 . 5.000 4.001 3.763 4.699 . 0 0 "[ . ]" 2
204 2 35 ARG QB 2 36 TYR H 3.500 . 3.500 3.227 3.185 3.360 . 0 0 "[ . ]" 2
205 2 35 ARG H 2 36 TYR H 3.500 . 3.500 2.666 2.506 2.749 . 0 0 "[ . ]" 2
206 2 36 TYR H 2 37 LEU H 3.500 . 3.500 2.805 2.539 2.890 . 0 0 "[ . ]" 2
207 2 37 LEU QB 2 38 LYS H 2.800 . 2.800 2.482 2.329 2.739 . 0 0 "[ . ]" 2
208 2 37 LEU H 2 38 LYS H . . 3.500 2.745 2.662 2.848 . 0 0 "[ . ]" 2
209 2 38 LYS HA 2 41 VAL H 5.000 . 5.000 3.953 3.862 4.082 . 0 0 "[ . ]" 2
210 2 38 LYS H 2 38 LYS QB 2.800 . 2.800 2.322 2.256 2.475 . 0 0 "[ . ]" 2
211 2 38 LYS QB 2 39 ARG H 3.500 . 3.500 2.893 2.591 3.467 . 0 0 "[ . ]" 2
212 2 39 ARG HA 2 40 THR H 3.500 . 3.500 3.559 3.529 3.578 0.078 4 0 "[ . ]" 2
213 2 39 ARG HA 2 42 THR H 3.500 . 3.500 3.600 3.451 3.912 0.412 3 0 "[ . ]" 2
214 2 38 LYS H 2 39 ARG H 5.000 . 5.000 2.665 2.568 2.699 . 0 0 "[ . ]" 2
215 2 39 ARG H 2 40 THR H 3.500 . 3.500 2.597 2.489 2.656 . 0 0 "[ . ]" 2
216 2 40 THR H 2 41 VAL H 3.500 . 3.500 2.822 2.692 2.932 . 0 0 "[ . ]" 2
217 2 41 VAL HB 2 44 LEU H 5.000 . 5.000 5.794 5.392 6.083 1.083 7 6 "[-* ***+]" 2
218 2 40 THR H 2 41 VAL QG 5.000 . 5.000 4.452 3.737 4.893 . 0 0 "[ . ]" 2
219 2 41 VAL H 2 42 THR H 3.500 . 3.500 2.740 2.671 2.792 . 0 0 "[ . ]" 2
220 2 42 THR HB 2 43 GLU H 2.800 . 2.800 2.565 2.486 2.713 . 0 0 "[ . ]" 2
221 2 42 THR MG 2 43 GLU H 5.000 . 5.000 3.447 3.331 3.605 . 0 0 "[ . ]" 2
222 2 43 GLU H 2 44 LEU H 3.500 . 3.500 2.653 2.502 2.757 . 0 0 "[ . ]" 2
223 2 44 LEU HA 2 48 THR H 3.500 . 3.500 3.983 3.586 4.248 0.748 1 4 "[+* -* ]" 2
224 2 44 LEU H 2 45 ASP H 2.800 . 2.800 2.675 2.556 2.786 . 0 0 "[ . ]" 2
225 2 45 ASP H 2 46 SER H 3.500 . 3.500 2.550 2.406 2.733 . 0 0 "[ . ]" 2
226 2 46 SER H 2 47 VAL H 3.500 . 3.500 2.806 2.738 2.915 . 0 0 "[ . ]" 2
227 2 46 SER H 2 48 THR H 3.500 . 3.500 4.027 3.929 4.148 0.648 1 4 "[+-* . *]" 2
228 2 47 VAL H 2 48 THR H . . 2.800 2.816 2.731 2.864 0.064 7 0 "[ . ]" 2
229 2 48 THR HA 2 51 LEU H 3.500 . 3.500 3.339 3.235 3.454 . 0 0 "[ . ]" 2
230 2 48 THR H 2 49 ALA H 3.500 . 3.500 2.599 2.515 2.704 . 0 0 "[ . ]" 2
231 2 49 ALA H 2 50 ARG QB 5.000 . 5.000 4.711 4.545 4.869 . 0 0 "[ . ]" 2
232 2 49 ALA H 2 50 ARG H 2.800 . 2.800 2.671 2.590 2.739 . 0 0 "[ . ]" 2
233 2 50 ARG H 2 51 LEU H 2.800 . 2.800 2.411 2.353 2.548 . 0 0 "[ . ]" 2
234 2 51 LEU H 2 51 LEU HA 2.800 . 2.800 2.776 2.752 2.804 0.004 3 0 "[ . ]" 2
235 2 51 LEU H 2 52 ARG H . . 2.800 2.807 2.740 2.914 0.114 4 0 "[ . ]" 2
236 2 52 ARG HB2 2 53 GLU H 5.000 . 5.000 3.536 2.390 3.824 . 0 0 "[ . ]" 2
237 2 52 ARG H 2 52 ARG HG3 3.500 . 3.500 3.111 1.876 3.372 . 0 0 "[ . ]" 2
238 2 50 ARG H 2 52 ARG H 5.000 . 5.000 4.333 4.112 4.543 . 0 0 "[ . ]" 2
239 2 52 ARG H 2 53 GLU H 2.800 . 2.800 2.763 2.729 2.807 0.007 4 0 "[ . ]" 2
240 2 53 GLU HA 2 54 VAL H 3.500 . 3.500 3.526 3.504 3.585 0.085 3 0 "[ . ]" 2
241 2 53 GLU H 2 53 GLU QG 5.000 . 5.000 3.504 2.268 3.986 . 0 0 "[ . ]" 2
242 2 53 GLU H 2 54 VAL H 2.800 . 2.800 2.452 2.373 2.592 . 0 0 "[ . ]" 2
243 2 53 GLU H 2 55 GLU H 5.000 . 5.000 4.246 4.137 4.335 . 0 0 "[ . ]" 2
244 2 50 ARG H 2 54 VAL QG 5.000 . 5.000 5.201 4.971 5.537 0.537 4 1 "[ +. ]" 2
245 2 54 VAL H 2 55 GLU H 2.800 . 2.800 2.867 2.790 2.920 0.120 6 0 "[ . ]" 2
246 2 56 HIS HA 2 57 ARG H 3.500 . 3.500 3.280 2.168 3.585 0.085 6 0 "[ . ]" 2
247 2 56 HIS QB 2 57 ARG H 5.000 . 5.000 2.581 1.805 3.961 . 0 0 "[ . ]" 2
248 2 57 ARG HB3 2 58 ALA H 5.000 . 5.000 4.092 3.474 4.447 . 0 0 "[ . ]" 2
249 2 57 ARG HB2 2 58 ALA H 5.000 . 5.000 3.684 2.441 4.365 . 0 0 "[ . ]" 2
250 2 57 ARG H 2 57 ARG QG 2.800 . 2.800 2.715 2.244 3.196 0.396 5 0 "[ . ]" 2
251 2 57 ARG H 2 58 ALA H 3.500 . 3.500 2.620 1.830 3.407 . 0 0 "[ . ]" 2
252 2 58 ALA HA 2 59 GLY H 3.500 . 3.500 3.092 2.768 3.557 0.057 4 0 "[ . ]" 2
253 2 58 ALA MB 2 59 GLY H 5.000 . 5.000 2.093 1.615 3.702 . 0 0 "[ . ]" 2
254 2 59 GLY H 2 59 GLY QA 2.800 . 2.800 2.415 2.196 2.502 . 0 0 "[ . ]" 2
255 2 59 GLY QA 2 60 GLU H 5.000 . 5.000 2.285 2.119 2.686 . 0 0 "[ . ]" 2
256 2 59 GLY H 2 60 GLU H 5.000 . 5.000 3.688 2.125 4.590 . 0 0 "[ . ]" 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 100
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 5007.815
_Distance_constraint_stats_list.Viol_max 9.024
_Distance_constraint_stats_list.Viol_rms 2.2105
_Distance_constraint_stats_list.Viol_average_all_restraints 1.0220
_Distance_constraint_stats_list.Viol_average_violations_only 3.7067
_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 11 ASP 0.216 0.190 4 0 "[ . ]"
1 12 GLN 1.535 0.855 2 1 "[ + . ]"
1 13 ARG 61.155 5.985 6 7 [**-**+*]
1 14 PHE 74.703 7.946 1 7 [+-*****]
1 15 GLY 54.956 6.383 4 7 [**-+***]
1 16 GLY 86.383 7.853 7 7 [*-****+]
1 17 GLY 148.820 7.880 7 7 [**-***+]
1 18 GLU 162.329 7.946 1 7 [+-*****]
1 19 ASP 123.027 6.383 4 7 [**-+***]
1 20 LEU 167.970 8.137 2 7 [*+***-*]
1 21 LEU 181.997 9.024 3 7 [*-+****]
1 22 MET 87.627 7.760 6 7 [*-***+*]
1 23 SER 68.286 5.941 2 7 [*+***-*]
1 24 GLY 83.122 8.137 2 7 [*+***-*]
1 25 ASP 94.331 9.024 3 7 [**+*-**]
1 35 ARG 1.242 0.782 5 1 "[ + ]"
1 36 TYR 0.000 0.000 . 0 "[ . ]"
1 37 LEU 0.000 0.000 . 0 "[ . ]"
1 38 LYS 1.703 0.610 5 1 "[ + ]"
1 39 ARG 1.242 0.782 5 1 "[ + ]"
1 40 THR 0.000 0.000 . 0 "[ . ]"
1 41 VAL 0.000 0.000 . 0 "[ . ]"
1 42 THR 1.703 0.610 5 1 "[ + ]"
1 43 GLU 0.000 0.000 . 0 "[ . ]"
1 44 LEU 0.000 0.000 . 0 "[ . ]"
1 45 ASP 0.000 0.000 . 0 "[ . ]"
1 46 SER 0.000 0.000 . 0 "[ . ]"
1 47 VAL 0.000 0.000 . 0 "[ . ]"
1 48 THR 0.000 0.000 . 0 "[ . ]"
2 4 ASP 0.000 0.000 . 0 "[ . ]"
2 5 GLU 1.262 0.397 6 0 "[ . ]"
2 6 LEU 1.044 0.227 3 0 "[ . ]"
2 7 PHE 0.000 0.000 . 0 "[ . ]"
2 8 SER 0.000 0.000 . 0 "[ . ]"
2 9 MET 1.262 0.397 6 0 "[ . ]"
2 10 LEU 1.044 0.227 3 0 "[ . ]"
2 11 ASP 0.000 0.000 . 0 "[ . ]"
2 12 GLN 0.000 0.000 . 0 "[ . ]"
2 13 ARG 0.000 0.000 . 0 "[ . ]"
2 14 PHE 0.000 0.000 . 0 "[ . ]"
2 30 GLU 0.000 0.000 . 0 "[ . ]"
2 31 GLU 0.775 0.289 7 0 "[ . ]"
2 32 LYS 0.000 0.000 . 0 "[ . ]"
2 33 LEU 0.125 0.104 5 0 "[ . ]"
2 34 ARG 0.364 0.359 5 0 "[ . ]"
2 35 ARG 1.764 0.611 5 1 "[ + ]"
2 36 TYR 0.000 0.000 . 0 "[ . ]"
2 37 LEU 0.125 0.104 5 0 "[ . ]"
2 38 LYS 1.861 0.569 5 1 "[ + ]"
2 39 ARG 0.989 0.611 5 1 "[ + ]"
2 40 THR 0.000 0.000 . 0 "[ . ]"
2 41 VAL 0.053 0.044 7 0 "[ . ]"
2 42 THR 1.497 0.569 5 1 "[ + ]"
2 43 GLU 0.000 0.000 . 0 "[ . ]"
2 44 LEU 0.000 0.000 . 0 "[ . ]"
2 45 ASP 0.053 0.044 7 0 "[ . ]"
2 46 SER 0.000 0.000 . 0 "[ . ]"
2 47 VAL 0.000 0.000 . 0 "[ . ]"
2 48 THR 0.142 0.118 4 0 "[ . ]"
2 49 ALA 7.978 0.905 5 4 "[* -+ *]"
2 50 ARG 0.000 0.000 . 0 "[ . ]"
2 51 LEU 0.000 0.000 . 0 "[ . ]"
2 52 ARG 0.142 0.118 4 0 "[ . ]"
2 53 GLU 7.978 0.905 5 4 "[* -+ *]"
2 54 VAL 0.000 0.000 . 0 "[ . ]"
2 55 GLU 0.000 0.000 . 0 "[ . ]"
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 11 ASP O 1 15 GLY N 2.800 2.400 3.700 3.235 3.053 3.454 . 0 0 "[ . ]" 3
2 1 11 ASP O 1 15 GLY H 1.800 . 2.700 2.634 2.505 2.890 0.190 4 0 "[ . ]" 3
3 1 12 GLN O 1 16 GLY N 2.800 2.400 3.700 3.034 2.616 4.327 0.627 2 1 "[ + . ]" 3
4 1 12 GLN O 1 16 GLY H 1.800 . 2.700 2.426 1.860 3.555 0.855 2 1 "[ + . ]" 3
5 1 13 ARG O 1 17 GLY N 2.800 2.400 3.700 7.603 6.318 8.523 4.823 7 7 [**-***+] 3
6 1 13 ARG O 1 17 GLY H 1.800 . 2.700 7.533 6.109 8.685 5.985 6 7 [**-**+*] 3
7 1 14 PHE O 1 18 GLU N 2.800 2.400 3.700 8.533 6.590 9.832 6.132 1 7 [+-*****] 3
8 1 14 PHE O 1 18 GLU H 1.800 . 2.700 8.539 5.884 10.646 7.946 1 7 [+-*****] 3
9 1 15 GLY O 1 19 ASP N 2.800 2.400 3.700 7.029 5.593 8.650 4.950 4 7 [**-+***] 3
10 1 15 GLY O 1 19 ASP H 1.800 . 2.700 7.191 5.961 9.083 6.383 4 7 [**-+***] 3
11 1 16 GLY O 1 20 LEU N 2.800 2.400 3.700 9.543 7.116 10.865 7.165 7 7 [*-****+] 3
12 1 16 GLY O 1 20 LEU H 1.800 . 2.700 8.978 6.282 10.553 7.853 7 7 [*-****+] 3
13 1 17 GLY O 1 21 LEU N 2.800 2.400 3.700 9.243 7.447 10.105 6.405 7 7 [*-****+] 3
14 1 17 GLY O 1 21 LEU H 1.800 . 2.700 9.681 7.834 10.580 7.880 7 7 [*-****+] 3
15 1 18 GLU O 1 22 MET N 2.800 2.400 3.700 9.502 7.034 10.454 6.754 6 7 [*-***+*] 3
16 1 18 GLU O 1 22 MET H 1.800 . 2.700 9.416 7.500 10.460 7.760 6 7 [*-***+*] 3
17 1 19 ASP O 1 23 SER N 2.800 2.400 3.700 8.365 7.130 9.340 5.640 2 7 [*+***-*] 3
18 1 19 ASP O 1 23 SER H 1.800 . 2.700 7.790 6.456 8.641 5.941 2 7 [*+***-*] 3
19 1 20 LEU O 1 24 GLY N 2.800 2.400 3.700 9.060 6.822 10.370 6.670 2 7 [*+***-*] 3
20 1 20 LEU O 1 24 GLY H 1.800 . 2.700 9.214 6.489 10.837 8.137 2 7 [*+***-*] 3
21 1 21 LEU O 1 25 ASP N 2.800 2.400 3.700 9.942 8.179 11.795 8.095 3 7 [**+*-**] 3
22 1 21 LEU O 1 25 ASP H 1.800 . 2.700 9.934 7.916 11.724 9.024 3 7 [**+*-**] 3
23 1 35 ARG O 1 39 ARG N 2.800 2.400 3.700 3.018 2.790 4.160 0.460 5 0 "[ . ]" 3
24 1 35 ARG O 1 39 ARG H 1.800 . 2.700 2.161 1.887 3.482 0.782 5 1 "[ + ]" 3
25 1 36 TYR O 1 40 THR N 2.800 2.400 3.700 2.823 2.798 2.852 . 0 0 "[ . ]" 3
26 1 36 TYR O 1 40 THR H 1.800 . 2.700 1.890 1.833 1.921 . 0 0 "[ . ]" 3
27 1 37 LEU O 1 41 VAL N 2.800 2.400 3.700 2.943 2.843 3.140 . 0 0 "[ . ]" 3
28 1 37 LEU O 1 41 VAL H 1.800 . 2.700 2.072 1.920 2.316 . 0 0 "[ . ]" 3
29 1 38 LYS O 1 42 THR N 2.800 2.400 3.700 3.732 3.514 4.247 0.547 5 1 "[ + ]" 3
30 1 38 LYS O 1 42 THR H 1.800 . 2.700 2.787 2.572 3.310 0.610 5 1 "[ + ]" 3
31 1 39 ARG O 1 43 GLU N 2.800 2.400 3.700 2.657 2.589 2.783 . 0 0 "[ . ]" 3
32 1 39 ARG O 1 43 GLU H 1.800 . 2.700 1.764 1.681 1.881 . 0 0 "[ . ]" 3
33 1 40 THR O 1 44 LEU N 2.800 2.400 3.700 2.608 2.569 2.644 . 0 0 "[ . ]" 3
34 1 40 THR O 1 44 LEU H 1.800 . 2.700 1.765 1.711 1.787 . 0 0 "[ . ]" 3
35 1 41 VAL O 1 45 ASP N 2.800 2.400 3.700 2.716 2.620 2.778 . 0 0 "[ . ]" 3
36 1 41 VAL O 1 45 ASP H 1.800 . 2.700 1.910 1.826 1.957 . 0 0 "[ . ]" 3
37 1 42 THR O 1 46 SER N 2.800 2.400 3.700 2.546 2.511 2.589 . 0 0 "[ . ]" 3
38 1 42 THR O 1 46 SER H 1.800 . 2.700 2.091 2.024 2.159 . 0 0 "[ . ]" 3
39 1 43 GLU O 1 47 VAL N 2.800 2.400 3.700 3.031 2.963 3.109 . 0 0 "[ . ]" 3
40 1 43 GLU O 1 47 VAL H 1.800 . 2.700 2.057 1.988 2.133 . 0 0 "[ . ]" 3
41 1 44 LEU O 1 48 THR N 2.800 2.400 3.700 2.944 2.861 3.011 . 0 0 "[ . ]" 3
42 1 44 LEU O 1 48 THR H 1.800 . 2.700 2.050 1.945 2.119 . 0 0 "[ . ]" 3
43 2 4 ASP O 2 8 SER N 2.800 2.400 3.700 2.708 2.670 2.756 . 0 0 "[ . ]" 3
44 2 4 ASP O 2 8 SER H 1.800 . 2.700 1.880 1.772 1.951 . 0 0 "[ . ]" 3
45 2 5 GLU O 2 9 MET N 2.800 2.400 3.700 3.697 3.606 3.926 0.226 6 0 "[ . ]" 3
46 2 5 GLU O 2 9 MET H 1.800 . 2.700 2.842 2.744 3.097 0.397 6 0 "[ . ]" 3
47 2 6 LEU O 2 10 LEU N 2.800 2.400 3.700 3.697 3.623 3.817 0.117 3 0 "[ . ]" 3
48 2 6 LEU O 2 10 LEU H 1.800 . 2.700 2.827 2.738 2.927 0.227 3 0 "[ . ]" 3
49 2 7 PHE O 2 11 ASP N 2.800 2.400 3.700 3.004 2.883 3.125 . 0 0 "[ . ]" 3
50 2 7 PHE O 2 11 ASP H 1.800 . 2.700 2.119 1.997 2.243 . 0 0 "[ . ]" 3
51 2 8 SER O 2 12 GLN N 2.800 2.400 3.700 3.385 3.309 3.465 . 0 0 "[ . ]" 3
52 2 8 SER O 2 12 GLN H 1.800 . 2.700 2.496 2.358 2.580 . 0 0 "[ . ]" 3
53 2 9 MET O 2 13 ARG N 2.800 2.400 3.700 3.371 3.253 3.475 . 0 0 "[ . ]" 3
54 2 9 MET O 2 13 ARG H 1.800 . 2.700 2.419 2.305 2.517 . 0 0 "[ . ]" 3
55 2 10 LEU O 2 14 PHE N 2.800 2.400 3.700 2.620 2.592 2.647 . 0 0 "[ . ]" 3
56 2 10 LEU O 2 14 PHE H 1.800 . 2.700 1.687 1.665 1.720 . 0 0 "[ . ]" 3
57 2 30 GLU O 2 34 ARG N 2.800 2.400 3.700 2.543 2.477 2.606 . 0 0 "[ . ]" 3
58 2 30 GLU O 2 34 ARG H 1.800 . 2.700 1.884 1.835 1.964 . 0 0 "[ . ]" 3
59 2 31 GLU O 2 35 ARG N 2.800 2.400 3.700 3.586 3.276 3.929 0.229 7 0 "[ . ]" 3
60 2 31 GLU O 2 35 ARG H 1.800 . 2.700 2.641 2.304 2.989 0.289 7 0 "[ . ]" 3
61 2 32 LYS O 2 36 TYR N 2.800 2.400 3.700 3.102 2.861 3.237 . 0 0 "[ . ]" 3
62 2 32 LYS O 2 36 TYR H 1.800 . 2.700 2.211 1.967 2.372 . 0 0 "[ . ]" 3
63 2 33 LEU O 2 37 LEU N 2.800 2.400 3.700 3.344 3.200 3.495 . 0 0 "[ . ]" 3
64 2 33 LEU O 2 37 LEU H 1.800 . 2.700 2.607 2.456 2.804 0.104 5 0 "[ . ]" 3
65 2 34 ARG O 2 38 LYS N 2.800 2.400 3.700 3.320 3.038 3.704 0.004 5 0 "[ . ]" 3
66 2 34 ARG O 2 38 LYS H 1.800 . 2.700 2.453 2.147 3.059 0.359 5 0 "[ . ]" 3
67 2 35 ARG O 2 39 ARG N 2.800 2.400 3.700 3.082 2.888 4.077 0.377 5 0 "[ . ]" 3
68 2 35 ARG O 2 39 ARG H 1.800 . 2.700 2.214 1.995 3.311 0.611 5 1 "[ + ]" 3
69 2 36 TYR O 2 40 THR N 2.800 2.400 3.700 2.786 2.701 3.023 . 0 0 "[ . ]" 3
70 2 36 TYR O 2 40 THR H 1.800 . 2.700 1.868 1.799 2.109 . 0 0 "[ . ]" 3
71 2 37 LEU O 2 41 VAL N 2.800 2.400 3.700 2.952 2.801 3.516 . 0 0 "[ . ]" 3
72 2 37 LEU O 2 41 VAL H 1.800 . 2.700 2.001 1.833 2.629 . 0 0 "[ . ]" 3
73 2 38 LYS O 2 42 THR N 2.800 2.400 3.700 3.594 3.307 4.162 0.462 5 0 "[ . ]" 3
74 2 38 LYS O 2 42 THR H 1.800 . 2.700 2.761 2.475 3.269 0.569 5 1 "[ + ]" 3
75 2 39 ARG O 2 43 GLU N 2.800 2.400 3.700 2.685 2.614 2.765 . 0 0 "[ . ]" 3
76 2 39 ARG O 2 43 GLU H 1.800 . 2.700 1.752 1.654 1.879 . 0 0 "[ . ]" 3
77 2 40 THR O 2 44 LEU N 2.800 2.400 3.700 2.631 2.549 2.706 . 0 0 "[ . ]" 3
78 2 40 THR O 2 44 LEU H 1.800 . 2.700 1.715 1.621 1.812 . 0 0 "[ . ]" 3
79 2 41 VAL O 2 45 ASP N 2.800 2.400 3.700 3.307 2.800 3.611 . 0 0 "[ . ]" 3
80 2 41 VAL O 2 45 ASP H 1.800 . 2.700 2.440 2.017 2.744 0.044 7 0 "[ . ]" 3
81 2 42 THR O 2 46 SER N 2.800 2.400 3.700 2.722 2.625 2.954 . 0 0 "[ . ]" 3
82 2 42 THR O 2 46 SER H 1.800 . 2.700 1.939 1.861 2.155 . 0 0 "[ . ]" 3
83 2 43 GLU O 2 47 VAL N 2.800 2.400 3.700 2.887 2.775 2.983 . 0 0 "[ . ]" 3
84 2 43 GLU O 2 47 VAL H 1.800 . 2.700 1.930 1.817 2.010 . 0 0 "[ . ]" 3
85 2 44 LEU O 2 48 THR N 2.800 2.400 3.700 3.089 2.735 3.413 . 0 0 "[ . ]" 3
86 2 44 LEU O 2 48 THR H 1.800 . 2.700 2.161 1.785 2.468 . 0 0 "[ . ]" 3
87 2 45 ASP O 2 49 ALA N 2.800 2.400 3.700 3.014 2.875 3.112 . 0 0 "[ . ]" 3
88 2 45 ASP O 2 49 ALA H 1.800 . 2.700 2.224 2.103 2.308 . 0 0 "[ . ]" 3
89 2 46 SER O 2 50 ARG N 2.800 2.400 3.700 2.986 2.890 3.099 . 0 0 "[ . ]" 3
90 2 46 SER O 2 50 ARG H 1.800 . 2.700 2.063 1.989 2.170 . 0 0 "[ . ]" 3
91 2 47 VAL O 2 51 LEU N 2.800 2.400 3.700 2.734 2.652 2.841 . 0 0 "[ . ]" 3
92 2 47 VAL O 2 51 LEU H 1.800 . 2.700 1.893 1.802 2.016 . 0 0 "[ . ]" 3
93 2 48 THR O 2 52 ARG N 2.800 2.400 3.700 3.397 3.030 3.724 0.024 4 0 "[ . ]" 3
94 2 48 THR O 2 52 ARG H 1.800 . 2.700 2.502 2.061 2.818 0.118 4 0 "[ . ]" 3
95 2 49 ALA O 2 53 GLU N 2.800 2.400 3.700 4.219 3.791 4.506 0.806 5 4 "[* -+ *]" 3
96 2 49 ALA O 2 53 GLU H 1.800 . 2.700 3.321 2.939 3.605 0.905 5 4 "[* -+ *]" 3
97 2 50 ARG O 2 54 VAL N 2.800 2.400 3.700 2.765 2.700 2.853 . 0 0 "[ . ]" 3
98 2 50 ARG O 2 54 VAL H 1.800 . 2.700 1.823 1.769 1.928 . 0 0 "[ . ]" 3
99 2 51 LEU O 2 55 GLU N 2.800 2.400 3.700 3.142 2.798 3.259 . 0 0 "[ . ]" 3
100 2 51 LEU O 2 55 GLU H 1.800 . 2.700 2.193 1.846 2.315 . 0 0 "[ . ]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 4:17:32 AM GMT (wattos1)