NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
480132 |
2kt2   |
16207 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kt2
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 694
_Distance_constraint_stats_list.Viol_count 1401
_Distance_constraint_stats_list.Viol_total 1630.229
_Distance_constraint_stats_list.Viol_max 0.551
_Distance_constraint_stats_list.Viol_rms 0.0242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0582
_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 2 THR 0.148 0.055 10 0 "[ . 1 . 2]"
1 3 HIS 3.506 0.292 10 0 "[ . 1 . 2]"
1 4 LEU 5.042 0.292 10 0 "[ . 1 . 2]"
1 5 LYS 2.720 0.172 6 0 "[ . 1 . 2]"
1 6 ILE 1.674 0.140 6 0 "[ . 1 . 2]"
1 7 THR 2.439 0.199 13 0 "[ . 1 . 2]"
1 8 GLY 0.099 0.055 14 0 "[ . 1 . 2]"
1 9 MET 7.092 0.551 17 1 "[ . 1 . + 2]"
1 10 THR 1.904 0.440 18 0 "[ . 1 . 2]"
1 11 CYS 6.070 0.439 18 0 "[ . 1 . 2]"
1 12 ASP 2.572 0.245 1 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 5.384 0.222 20 0 "[ . 1 . 2]"
1 15 ALA 3.212 0.245 1 0 "[ . 1 . 2]"
1 16 ALA 0.975 0.128 4 0 "[ . 1 . 2]"
1 17 HIS 1.053 0.134 4 0 "[ . 1 . 2]"
1 18 VAL 0.775 0.114 1 0 "[ . 1 . 2]"
1 19 LYS 1.031 0.065 19 0 "[ . 1 . 2]"
1 20 GLU 2.836 0.165 20 0 "[ . 1 . 2]"
1 21 ALA 1.773 0.106 2 0 "[ . 1 . 2]"
1 22 LEU 3.740 0.165 20 0 "[ . 1 . 2]"
1 23 GLU 1.699 0.106 2 0 "[ . 1 . 2]"
1 24 LYS 1.781 0.143 14 0 "[ . 1 . 2]"
1 25 VAL 1.875 0.139 20 0 "[ . 1 . 2]"
1 26 PRO 0.438 0.079 7 0 "[ . 1 . 2]"
1 27 GLY 0.804 0.139 20 0 "[ . 1 . 2]"
1 28 VAL 1.113 0.093 1 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.865 0.126 18 0 "[ . 1 . 2]"
1 31 ALA 0.253 0.117 18 0 "[ . 1 . 2]"
1 32 LEU 0.555 0.074 2 0 "[ . 1 . 2]"
1 33 VAL 1.279 0.102 12 0 "[ . 1 . 2]"
1 34 SER 0.639 0.102 12 0 "[ . 1 . 2]"
1 35 TYR 3.439 0.237 4 0 "[ . 1 . 2]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 1.432 0.108 16 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 1.483 0.108 16 0 "[ . 1 . 2]"
1 40 ALA 0.738 0.097 17 0 "[ . 1 . 2]"
1 41 GLN 1.088 0.101 17 0 "[ . 1 . 2]"
1 42 LEU 0.409 0.117 18 0 "[ . 1 . 2]"
1 43 ALA 0.640 0.126 18 0 "[ . 1 . 2]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.630 0.078 18 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 2.938 0.213 1 0 "[ . 1 . 2]"
1 49 SER 3.533 0.213 1 0 "[ . 1 . 2]"
1 50 PRO 3.681 0.265 1 0 "[ . 1 . 2]"
1 51 ASP 5.745 0.211 16 0 "[ . 1 . 2]"
1 52 ALA 9.208 0.265 1 0 "[ . 1 . 2]"
1 53 LEU 1.817 0.096 6 0 "[ . 1 . 2]"
1 54 THR 2.675 0.102 9 0 "[ . 1 . 2]"
1 55 ALA 3.025 0.143 8 0 "[ . 1 . 2]"
1 56 ALA 2.995 0.099 17 0 "[ . 1 . 2]"
1 57 VAL 2.794 0.111 13 0 "[ . 1 . 2]"
1 58 ALA 5.695 0.143 8 0 "[ . 1 . 2]"
1 59 GLY 1.931 0.090 2 0 "[ . 1 . 2]"
1 60 LEU 4.563 0.151 4 0 "[ . 1 . 2]"
1 61 GLY 2.516 0.151 4 0 "[ . 1 . 2]"
1 62 TYR 1.380 0.089 19 0 "[ . 1 . 2]"
1 63 LYS 1.018 0.088 4 0 "[ . 1 . 2]"
1 64 ALA 2.177 0.119 19 0 "[ . 1 . 2]"
1 65 THR 0.474 0.090 11 0 "[ . 1 . 2]"
1 66 LEU 0.493 0.090 11 0 "[ . 1 . 2]"
1 67 ALA 1.842 0.159 9 0 "[ . 1 . 2]"
1 68 ASP 3.398 0.227 4 0 "[ . 1 . 2]"
1 69 ALA 0.313 0.078 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HA 1 3 HIS H 0.000 . 2.490 2.256 2.133 2.545 0.055 10 0 "[ . 1 . 2]" 1
2 1 2 THR HB 1 3 HIS H 0.000 . 4.970 3.949 3.093 4.471 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HB 1 42 LEU H 0.000 . 4.970 4.279 3.027 5.005 0.035 11 0 "[ . 1 . 2]" 1
4 1 2 THR MG 1 3 HIS H 0.000 . 4.700 3.118 2.264 4.170 . 0 0 "[ . 1 . 2]" 1
5 1 2 THR MG 1 42 LEU H 0.000 . 6.530 5.096 3.662 5.980 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS H 1 3 HIS HB2 0.000 . 3.670 2.714 2.394 3.626 . 0 0 "[ . 1 . 2]" 1
7 1 3 HIS H 1 3 HIS HB3 0.000 . 3.670 3.681 3.593 3.776 0.106 7 0 "[ . 1 . 2]" 1
8 1 3 HIS H 1 3 HIS QB 0.000 . 3.230 2.627 2.363 3.240 0.010 2 0 "[ . 1 . 2]" 1
9 1 3 HIS H 1 67 ALA H 0.000 . 5.500 4.512 3.644 5.398 . 0 0 "[ . 1 . 2]" 1
10 1 3 HIS H 1 68 ASP HA 0.000 . 3.760 3.115 1.934 3.801 0.041 19 0 "[ . 1 . 2]" 1
11 1 3 HIS HA 1 4 LEU H 0.000 . 2.430 2.138 2.068 2.267 . 0 0 "[ . 1 . 2]" 1
12 1 3 HIS HA 1 42 LEU H 0.000 . 3.830 3.312 2.808 3.854 0.024 3 0 "[ . 1 . 2]" 1
13 1 3 HIS HB2 1 4 LEU H 0.000 . 3.890 3.984 3.514 4.182 0.292 10 0 "[ . 1 . 2]" 1
14 1 3 HIS HB2 1 67 ALA H 0.000 . 5.500 3.603 3.095 4.214 . 0 0 "[ . 1 . 2]" 1
15 1 3 HIS HB3 1 4 LEU H 0.000 . 3.890 3.212 2.741 3.879 . 0 0 "[ . 1 . 2]" 1
16 1 3 HIS HB3 1 67 ALA H 0.000 . 5.500 4.212 3.393 5.532 0.032 4 0 "[ . 1 . 2]" 1
17 1 3 HIS QB 1 4 LEU H 0.000 . 3.620 3.054 2.694 3.386 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU H 1 4 LEU HB2 0.000 . 3.700 2.446 2.142 2.905 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU H 1 4 LEU HB3 0.000 . 3.700 3.237 2.758 3.759 0.059 14 0 "[ . 1 . 2]" 1
20 1 4 LEU H 1 4 LEU QB 0.000 . 3.150 2.358 2.111 2.678 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU H 1 40 ALA H 0.000 . 2.930 2.887 2.691 2.979 0.049 15 0 "[ . 1 . 2]" 1
22 1 4 LEU H 1 40 ALA MB 0.000 . 5.130 3.088 2.791 3.370 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU H 1 41 GLN HA 0.000 . 4.230 3.783 3.367 4.231 0.001 6 0 "[ . 1 . 2]" 1
24 1 4 LEU H 1 42 LEU H 0.000 . 4.420 4.005 3.525 4.492 0.072 14 0 "[ . 1 . 2]" 1
25 1 4 LEU H 1 67 ALA H 0.000 . 4.450 4.463 4.229 4.609 0.159 9 0 "[ . 1 . 2]" 1
26 1 4 LEU HA 1 4 LEU MD1 0.000 . 4.360 2.719 1.717 3.831 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU HA 1 4 LEU MD2 0.000 . 4.360 3.462 1.801 3.793 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU HA 1 4 LEU QD 0.000 . 3.870 2.461 1.703 2.919 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU HA 1 5 LYS H 0.000 . 2.550 2.316 2.182 2.446 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU HA 1 66 LEU HA 0.000 . 3.830 1.980 1.778 2.180 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU HA 1 66 LEU QB 0.000 . 6.380 2.941 2.463 3.859 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU HA 1 67 ALA H 0.000 . 3.270 2.875 2.576 3.151 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU HB2 1 5 LYS H 0.000 . 4.110 4.120 3.825 4.282 0.172 6 0 "[ . 1 . 2]" 1
34 1 4 LEU HB3 1 5 LYS H 0.000 . 4.110 3.106 2.454 3.667 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU QB 1 5 LYS H 0.000 . 3.510 3.011 2.426 3.446 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU QB 1 40 ALA H 0.000 . 5.050 3.359 3.015 3.609 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU QB 1 54 THR H 0.000 . 6.380 5.976 5.241 6.406 0.026 3 0 "[ . 1 . 2]" 1
38 1 4 LEU QB 1 54 THR HA 0.000 . 6.350 5.175 4.016 5.794 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU QB 1 67 ALA H 0.000 . 6.380 4.890 4.672 5.113 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU MD1 1 40 ALA H 0.000 . 6.530 5.416 5.067 5.777 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU MD1 1 57 VAL MG1 0.000 . 10.700 5.898 4.737 6.721 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU MD1 1 57 VAL MG2 0.000 . 10.700 4.466 3.109 5.312 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU MD2 1 40 ALA H 0.000 . 6.530 5.081 4.292 5.589 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU MD2 1 57 VAL MG1 0.000 . 10.700 4.316 3.458 6.377 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU MD2 1 57 VAL MG2 0.000 . 10.700 3.093 2.078 5.137 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU QD 1 40 ALA HA 0.000 . 7.540 5.559 4.881 5.978 . 0 0 "[ . 1 . 2]" 1
47 1 4 LEU QD 1 42 LEU CD1 0.000 . 5.680 3.315 2.539 4.320 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU QD 1 42 LEU QD 0.000 . 10.390 2.089 1.520 2.804 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU QD 1 57 VAL QG 0.000 . 9.000 2.795 2.053 4.007 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU QD 1 64 ALA HA 0.000 . 8.100 4.289 3.169 5.285 . 0 0 "[ . 1 . 2]" 1
51 1 4 LEU QD 1 65 THR H 0.000 . 8.100 3.960 3.177 4.457 . 0 0 "[ . 1 . 2]" 1
52 1 4 LEU QD 1 66 LEU HA 0.000 . 7.570 3.295 2.067 3.921 . 0 0 "[ . 1 . 2]" 1
53 1 5 LYS H 1 5 LYS HB2 0.000 . 3.520 2.658 2.255 3.189 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS H 1 5 LYS HB3 0.000 . 3.520 3.027 2.474 3.569 0.049 13 0 "[ . 1 . 2]" 1
55 1 5 LYS H 1 5 LYS QB 0.000 . 3.270 2.414 2.221 2.978 . 0 0 "[ . 1 . 2]" 1
56 1 5 LYS H 1 65 THR H 0.000 . 3.170 3.013 2.719 3.221 0.051 3 0 "[ . 1 . 2]" 1
57 1 5 LYS H 1 66 LEU HA 0.000 . 4.010 2.343 2.049 2.663 . 0 0 "[ . 1 . 2]" 1
58 1 5 LYS H 1 67 ALA H 0.000 . 3.830 3.768 3.432 3.927 0.097 3 0 "[ . 1 . 2]" 1
59 1 5 LYS HA 1 6 ILE H 0.000 . 2.400 2.143 2.073 2.210 . 0 0 "[ . 1 . 2]" 1
60 1 5 LYS HA 1 39 THR HA 0.000 . 4.850 2.462 2.136 2.763 . 0 0 "[ . 1 . 2]" 1
61 1 5 LYS HA 1 39 THR MG 0.000 . 6.370 2.313 1.833 3.073 . 0 0 "[ . 1 . 2]" 1
62 1 5 LYS HA 1 40 ALA H 0.000 . 4.140 3.487 3.145 3.783 . 0 0 "[ . 1 . 2]" 1
63 1 5 LYS HB2 1 6 ILE H 0.000 . 4.260 4.263 3.681 4.400 0.140 6 0 "[ . 1 . 2]" 1
64 1 5 LYS HB2 1 65 THR H 0.000 . 5.500 3.992 3.396 4.633 . 0 0 "[ . 1 . 2]" 1
65 1 5 LYS HB3 1 6 ILE H 0.000 . 4.260 3.733 3.072 4.292 0.032 10 0 "[ . 1 . 2]" 1
66 1 5 LYS HB3 1 65 THR H 0.000 . 5.500 3.243 2.792 5.074 . 0 0 "[ . 1 . 2]" 1
67 1 5 LYS QB 1 67 ALA HA 0.000 . 6.380 4.898 4.035 5.868 . 0 0 "[ . 1 . 2]" 1
68 1 5 LYS QB 1 67 ALA MB 0.000 . 6.850 3.064 1.888 3.795 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE H 1 6 ILE HB 0.000 . 2.550 2.411 2.168 2.668 0.118 8 0 "[ . 1 . 2]" 1
70 1 6 ILE H 1 7 THR H 0.000 . 4.600 4.456 4.226 4.531 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE H 1 38 GLY HA3 0.000 . 5.220 4.348 3.850 4.768 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE H 1 38 GLY HA2 0.000 . 5.220 4.384 4.049 4.912 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE H 1 38 GLY QA 0.000 . 4.990 3.884 3.561 4.229 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE H 1 39 THR HA 0.000 . 3.170 2.781 2.415 3.189 0.019 3 0 "[ . 1 . 2]" 1
75 1 6 ILE H 1 39 THR MG 0.000 . 6.530 3.573 2.987 4.237 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE H 1 57 VAL QG 0.000 . 7.470 5.881 5.550 6.164 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE HA 1 7 THR H 0.000 . 2.460 2.173 2.130 2.225 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE HA 1 64 ALA HA 0.000 . 3.520 3.104 2.617 3.543 0.023 3 0 "[ . 1 . 2]" 1
79 1 6 ILE HA 1 64 ALA MB 0.000 . 6.530 3.934 3.418 4.580 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE HA 1 65 THR H 0.000 . 4.260 3.860 3.604 4.031 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE MG 1 7 THR H 0.000 . 4.260 2.657 2.328 2.971 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE MG 1 9 MET H 0.000 . 6.530 3.251 2.678 3.959 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE MG 1 63 LYS H 0.000 . 5.940 4.694 3.714 5.252 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE MG 1 64 ALA HA 0.000 . 6.530 4.792 3.980 5.223 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE MD 1 62 TYR HB2 0.000 . 6.530 5.734 4.853 6.578 0.048 6 0 "[ . 1 . 2]" 1
86 1 6 ILE MD 1 62 TYR HB3 0.000 . 6.530 5.787 4.724 6.559 0.029 14 0 "[ . 1 . 2]" 1
87 1 6 ILE MD 1 62 TYR QB 0.000 . 5.950 5.120 4.267 5.826 . 0 0 "[ . 1 . 2]" 1
88 1 7 THR H 1 7 THR HB 0.000 . 3.420 3.395 3.147 3.488 0.068 18 0 "[ . 1 . 2]" 1
89 1 7 THR H 1 9 MET H 0.000 . 4.630 4.021 3.730 4.398 . 0 0 "[ . 1 . 2]" 1
90 1 7 THR H 1 62 TYR QB 0.000 . 6.380 4.343 3.938 4.614 . 0 0 "[ . 1 . 2]" 1
91 1 7 THR H 1 63 LYS H 0.000 . 3.670 3.680 3.434 3.758 0.088 4 0 "[ . 1 . 2]" 1
92 1 7 THR H 1 63 LYS QB 0.000 . 6.380 3.635 3.192 3.989 . 0 0 "[ . 1 . 2]" 1
93 1 7 THR H 1 63 LYS QD 0.000 . 6.380 5.271 4.293 6.306 . 0 0 "[ . 1 . 2]" 1
94 1 7 THR H 1 64 ALA HA 0.000 . 3.890 3.172 2.883 3.531 . 0 0 "[ . 1 . 2]" 1
95 1 7 THR HA 1 7 THR HB 0.000 . 2.960 2.840 2.797 2.923 . 0 0 "[ . 1 . 2]" 1
96 1 7 THR HA 1 8 GLY H 0.000 . 2.620 2.308 2.134 2.541 . 0 0 "[ . 1 . 2]" 1
97 1 7 THR HA 1 9 MET H 0.000 . 3.980 3.776 3.492 4.179 0.199 13 0 "[ . 1 . 2]" 1
98 1 7 THR HB 1 8 GLY H 0.000 . 3.360 3.017 2.341 3.415 0.055 14 0 "[ . 1 . 2]" 1
99 1 7 THR HB 1 63 LYS H 0.000 . 5.250 4.294 3.758 4.834 . 0 0 "[ . 1 . 2]" 1
100 1 7 THR MG 1 8 GLY H 0.000 . 5.630 2.688 2.391 3.024 . 0 0 "[ . 1 . 2]" 1
101 1 7 THR HG1 1 9 MET H 0.000 . 5.500 5.456 5.122 5.583 0.083 11 0 "[ . 1 . 2]" 1
102 1 7 THR HG1 1 64 ALA HA 0.000 . 2.930 2.807 2.448 2.982 0.052 7 0 "[ . 1 . 2]" 1
103 1 8 GLY H 1 8 GLY HA3 0.000 . 2.930 2.918 2.890 2.938 0.008 15 0 "[ . 1 . 2]" 1
104 1 8 GLY H 1 8 GLY HA2 0.000 . 2.930 2.348 2.316 2.391 . 0 0 "[ . 1 . 2]" 1
105 1 8 GLY H 1 8 GLY QA 0.000 . 2.560 2.256 2.227 2.291 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLY H 1 9 MET H 0.000 . 3.890 3.260 2.848 3.721 . 0 0 "[ . 1 . 2]" 1
107 1 9 MET H 1 9 MET HB2 0.000 . 2.960 2.633 2.235 2.921 . 0 0 "[ . 1 . 2]" 1
108 1 9 MET H 1 9 MET HB3 0.000 . 3.830 3.631 3.520 3.681 . 0 0 "[ . 1 . 2]" 1
109 1 9 MET H 1 9 MET HG2 0.000 . 4.480 3.316 2.115 4.250 . 0 0 "[ . 1 . 2]" 1
110 1 9 MET H 1 9 MET HG3 0.000 . 3.140 2.349 1.722 3.145 0.005 7 0 "[ . 1 . 2]" 1
111 1 9 MET HA 1 9 MET HB3 0.000 . 2.650 2.396 2.273 2.643 . 0 0 "[ . 1 . 2]" 1
112 1 9 MET HA 1 9 MET HG2 0.000 . 2.620 2.720 2.351 3.171 0.551 17 1 "[ . 1 . + 2]" 1
113 1 9 MET HA 1 9 MET HG3 0.000 . 3.860 3.173 2.541 3.869 0.009 8 0 "[ . 1 . 2]" 1
114 1 9 MET HB2 1 11 CYS H 0.000 . 5.280 4.134 2.217 4.881 . 0 0 "[ . 1 . 2]" 1
115 1 9 MET HB2 1 14 CYS HB2 0.000 . 3.210 3.196 2.823 3.295 0.085 1 0 "[ . 1 . 2]" 1
116 1 9 MET HB2 1 14 CYS HB3 0.000 . 2.590 2.689 2.598 2.812 0.222 20 0 "[ . 1 . 2]" 1
117 1 9 MET HB3 1 9 MET HG2 0.000 . 2.740 2.437 2.206 2.833 0.093 8 0 "[ . 1 . 2]" 1
118 1 9 MET HB3 1 9 MET HG3 0.000 . 3.050 2.959 2.798 3.012 . 0 0 "[ . 1 . 2]" 1
119 1 9 MET HB3 1 11 CYS H 0.000 . 3.760 3.713 3.208 3.899 0.139 16 0 "[ . 1 . 2]" 1
120 1 9 MET HB3 1 14 CYS HB2 0.000 . 2.830 2.545 2.125 2.910 0.080 18 0 "[ . 1 . 2]" 1
121 1 9 MET HB3 1 14 CYS HB3 0.000 . 3.480 1.781 1.518 2.071 . 0 0 "[ . 1 . 2]" 1
122 1 10 THR H 1 10 THR HB 0.000 . 3.080 3.100 2.708 3.520 0.440 18 0 "[ . 1 . 2]" 1
123 1 10 THR H 1 11 CYS H 0.000 . 3.210 2.721 1.874 3.107 . 0 0 "[ . 1 . 2]" 1
124 1 10 THR HB 1 11 CYS H 0.000 . 4.010 2.836 1.716 4.177 0.167 8 0 "[ . 1 . 2]" 1
125 1 10 THR MG 1 11 CYS H 0.000 . 6.530 3.895 3.083 4.484 . 0 0 "[ . 1 . 2]" 1
126 1 11 CYS H 1 11 CYS HB2 0.000 . 3.980 3.950 3.770 4.057 0.077 10 0 "[ . 1 . 2]" 1
127 1 11 CYS H 1 11 CYS HB3 0.000 . 3.610 3.512 2.910 3.685 0.075 16 0 "[ . 1 . 2]" 1
128 1 11 CYS H 1 14 CYS HB2 0.000 . 3.210 3.053 2.434 3.286 0.076 10 0 "[ . 1 . 2]" 1
129 1 11 CYS H 1 14 CYS HB3 0.000 . 4.510 4.242 3.946 4.548 0.038 13 0 "[ . 1 . 2]" 1
130 1 11 CYS HA 1 11 CYS HB2 0.000 . 2.400 2.520 2.294 2.839 0.439 18 0 "[ . 1 . 2]" 1
131 1 11 CYS HA 1 11 CYS HB3 0.000 . 2.400 2.364 2.190 2.562 0.162 12 0 "[ . 1 . 2]" 1
132 1 11 CYS HA 1 12 ASP H 0.000 . 3.080 2.533 2.114 3.186 0.106 7 0 "[ . 1 . 2]" 1
133 1 11 CYS HA 1 35 TYR HB2 0.000 . 5.250 3.658 2.671 4.231 . 0 0 "[ . 1 . 2]" 1
134 1 11 CYS HA 1 35 TYR HB3 0.000 . 5.250 4.942 2.782 5.369 0.119 7 0 "[ . 1 . 2]" 1
135 1 11 CYS HA 1 35 TYR QB 0.000 . 4.790 3.476 2.645 3.904 . 0 0 "[ . 1 . 2]" 1
136 1 11 CYS HB2 1 12 ASP H 0.000 . 3.080 2.243 1.409 3.067 . 0 0 "[ . 1 . 2]" 1
137 1 11 CYS HB3 1 12 ASP H 0.000 . 4.200 3.512 2.461 4.030 . 0 0 "[ . 1 . 2]" 1
138 1 12 ASP H 1 35 TYR HA 0.000 . 3.390 3.403 3.025 3.539 0.149 20 0 "[ . 1 . 2]" 1
139 1 12 ASP HA 1 15 ALA H 0.000 . 3.480 3.463 3.021 3.725 0.245 1 0 "[ . 1 . 2]" 1
140 1 12 ASP HA 1 15 ALA MB 0.000 . 6.530 2.740 1.868 3.225 . 0 0 "[ . 1 . 2]" 1
141 1 12 ASP HA 1 35 TYR HB2 0.000 . 5.470 2.808 1.951 4.383 . 0 0 "[ . 1 . 2]" 1
142 1 12 ASP HA 1 35 TYR HB3 0.000 . 5.470 3.400 2.643 4.340 . 0 0 "[ . 1 . 2]" 1
143 1 12 ASP HA 1 35 TYR QB 0.000 . 5.260 2.586 1.903 3.046 . 0 0 "[ . 1 . 2]" 1
144 1 12 ASP QB 1 35 TYR HB2 0.000 . 6.380 2.949 1.667 3.695 . 0 0 "[ . 1 . 2]" 1
145 1 12 ASP QB 1 35 TYR HB3 0.000 . 6.380 3.592 2.324 4.730 . 0 0 "[ . 1 . 2]" 1
146 1 13 SER HA 1 16 ALA MB 0.000 . 5.660 2.472 1.899 3.696 . 0 0 "[ . 1 . 2]" 1
147 1 14 CYS H 1 14 CYS HB2 0.000 . 3.050 2.558 2.111 2.847 . 0 0 "[ . 1 . 2]" 1
148 1 14 CYS H 1 14 CYS HB3 0.000 . 3.790 3.554 3.449 3.613 . 0 0 "[ . 1 . 2]" 1
149 1 14 CYS H 1 15 ALA H 0.000 . 2.620 2.522 2.006 2.681 0.061 12 0 "[ . 1 . 2]" 1
150 1 14 CYS HA 1 14 CYS HB3 0.000 . 2.680 2.454 2.318 2.715 0.035 19 0 "[ . 1 . 2]" 1
151 1 14 CYS HA 1 16 ALA H 0.000 . 3.980 4.027 3.959 4.108 0.128 4 0 "[ . 1 . 2]" 1
152 1 14 CYS HA 1 17 HIS H 0.000 . 4.140 3.671 3.390 4.061 . 0 0 "[ . 1 . 2]" 1
153 1 14 CYS HA 1 18 VAL H 0.000 . 5.070 4.566 4.066 5.086 0.016 2 0 "[ . 1 . 2]" 1
154 1 14 CYS HB2 1 15 ALA H 0.000 . 2.860 2.546 2.386 2.878 0.018 20 0 "[ . 1 . 2]" 1
155 1 14 CYS HB3 1 15 ALA H 0.000 . 3.670 3.671 3.284 3.828 0.158 1 0 "[ . 1 . 2]" 1
156 1 15 ALA H 1 15 ALA MB 0.000 . 3.610 2.171 2.059 2.247 . 0 0 "[ . 1 . 2]" 1
157 1 15 ALA H 1 16 ALA H 0.000 . 2.960 2.550 2.416 2.670 . 0 0 "[ . 1 . 2]" 1
158 1 15 ALA H 1 17 HIS H 0.000 . 4.880 4.404 4.141 4.738 . 0 0 "[ . 1 . 2]" 1
159 1 15 ALA H 1 35 TYR HA 0.000 . 5.500 5.321 4.570 5.555 0.055 7 0 "[ . 1 . 2]" 1
160 1 15 ALA HA 1 17 HIS H 0.000 . 4.910 4.448 4.278 4.672 . 0 0 "[ . 1 . 2]" 1
161 1 15 ALA HA 1 18 VAL H 0.000 . 3.480 3.410 3.227 3.527 0.047 16 0 "[ . 1 . 2]" 1
162 1 15 ALA HA 1 18 VAL HB 0.000 . 3.790 2.585 2.316 2.923 . 0 0 "[ . 1 . 2]" 1
163 1 15 ALA HA 1 18 VAL QG 0.000 . 8.090 2.720 2.343 3.100 . 0 0 "[ . 1 . 2]" 1
164 1 15 ALA HA 1 19 LYS H 0.000 . 4.010 3.899 3.799 4.025 0.015 11 0 "[ . 1 . 2]" 1
165 1 15 ALA HA 1 33 VAL HB 0.000 . 5.220 4.649 4.133 5.278 0.058 6 0 "[ . 1 . 2]" 1
166 1 15 ALA HA 1 33 VAL QG 0.000 . 6.600 2.987 2.711 3.429 . 0 0 "[ . 1 . 2]" 1
167 1 15 ALA MB 1 18 VAL H 0.000 . 6.530 4.618 4.447 4.725 . 0 0 "[ . 1 . 2]" 1
168 1 15 ALA MB 1 33 VAL HB 0.000 . 4.230 2.750 2.196 4.023 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA MB 1 33 VAL QG 0.000 . 9.120 1.899 1.301 2.387 . 0 0 "[ . 1 . 2]" 1
170 1 15 ALA MB 1 35 TYR H 0.000 . 4.640 4.051 3.356 4.691 0.051 19 0 "[ . 1 . 2]" 1
171 1 15 ALA MB 1 35 TYR HA 0.000 . 5.600 3.101 2.341 3.636 . 0 0 "[ . 1 . 2]" 1
172 1 15 ALA MB 1 35 TYR HB2 0.000 . 6.530 3.238 2.331 4.921 . 0 0 "[ . 1 . 2]" 1
173 1 15 ALA MB 1 35 TYR HB3 0.000 . 6.530 3.517 2.245 5.119 . 0 0 "[ . 1 . 2]" 1
174 1 15 ALA MB 1 35 TYR QB 0.000 . 6.210 2.913 2.112 3.816 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA MB 1 35 TYR QD 0.000 . 8.080 4.241 1.934 5.355 . 0 0 "[ . 1 . 2]" 1
176 1 16 ALA H 1 16 ALA HA 0.000 . 2.900 2.838 2.791 2.872 . 0 0 "[ . 1 . 2]" 1
177 1 16 ALA H 1 16 ALA MB 0.000 . 3.460 2.123 2.030 2.265 . 0 0 "[ . 1 . 2]" 1
178 1 16 ALA H 1 17 HIS H 0.000 . 2.930 2.612 2.436 2.796 . 0 0 "[ . 1 . 2]" 1
179 1 16 ALA H 1 18 VAL H 0.000 . 4.570 3.991 3.795 4.155 . 0 0 "[ . 1 . 2]" 1
180 1 16 ALA H 1 19 LYS H 0.000 . 5.100 4.526 4.338 4.660 . 0 0 "[ . 1 . 2]" 1
181 1 16 ALA HA 1 18 VAL H 0.000 . 5.470 4.447 4.402 4.555 . 0 0 "[ . 1 . 2]" 1
182 1 16 ALA HA 1 19 LYS H 0.000 . 3.580 3.407 3.126 3.595 0.015 19 0 "[ . 1 . 2]" 1
183 1 16 ALA HA 1 19 LYS HB2 0.000 . 4.200 3.294 2.594 3.913 . 0 0 "[ . 1 . 2]" 1
184 1 16 ALA HA 1 19 LYS HB3 0.000 . 4.200 2.654 2.097 2.879 . 0 0 "[ . 1 . 2]" 1
185 1 16 ALA HA 1 20 GLU H 0.000 . 4.540 3.975 3.784 4.147 . 0 0 "[ . 1 . 2]" 1
186 1 16 ALA HA 1 33 VAL HB 0.000 . 5.500 4.972 4.241 5.414 . 0 0 "[ . 1 . 2]" 1
187 1 16 ALA MB 1 17 HIS H 0.000 . 4.230 2.551 2.354 2.734 . 0 0 "[ . 1 . 2]" 1
188 1 16 ALA MB 1 35 TYR QD 0.000 . 8.670 6.602 4.655 7.630 . 0 0 "[ . 1 . 2]" 1
189 1 17 HIS H 1 17 HIS HA 0.000 . 2.860 2.817 2.775 2.853 . 0 0 "[ . 1 . 2]" 1
190 1 17 HIS H 1 17 HIS HB2 0.000 . 3.330 2.164 2.070 2.346 . 0 0 "[ . 1 . 2]" 1
191 1 17 HIS H 1 17 HIS HB3 0.000 . 3.330 3.108 2.842 3.464 0.134 4 0 "[ . 1 . 2]" 1
192 1 17 HIS H 1 17 HIS QB 0.000 . 2.920 2.119 2.045 2.241 . 0 0 "[ . 1 . 2]" 1
193 1 17 HIS H 1 18 VAL H 0.000 . 3.020 2.642 2.480 2.787 . 0 0 "[ . 1 . 2]" 1
194 1 17 HIS H 1 19 LYS H 0.000 . 4.140 4.104 3.994 4.165 0.025 1 0 "[ . 1 . 2]" 1
195 1 17 HIS HA 1 17 HIS HB2 0.000 . 2.960 2.763 2.620 2.969 0.009 4 0 "[ . 1 . 2]" 1
196 1 17 HIS HA 1 17 HIS HB3 0.000 . 2.960 2.905 2.665 2.991 0.031 2 0 "[ . 1 . 2]" 1
197 1 17 HIS HA 1 17 HIS QB 0.000 . 2.620 2.508 2.462 2.539 . 0 0 "[ . 1 . 2]" 1
198 1 17 HIS HA 1 18 VAL H 0.000 . 3.550 3.525 3.493 3.549 . 0 0 "[ . 1 . 2]" 1
199 1 17 HIS HA 1 19 LYS H 0.000 . 4.540 4.495 4.311 4.580 0.040 5 0 "[ . 1 . 2]" 1
200 1 17 HIS HA 1 20 GLU H 0.000 . 3.760 3.442 3.139 3.758 . 0 0 "[ . 1 . 2]" 1
201 1 17 HIS HA 1 20 GLU QB 0.000 . 3.900 2.732 2.177 3.350 . 0 0 "[ . 1 . 2]" 1
202 1 17 HIS HA 1 21 ALA H 0.000 . 4.480 4.011 3.759 4.219 . 0 0 "[ . 1 . 2]" 1
203 1 17 HIS HB2 1 18 VAL H 0.000 . 3.580 3.316 2.720 3.694 0.114 1 0 "[ . 1 . 2]" 1
204 1 17 HIS HB2 1 60 LEU MD1 0.000 . 8.300 6.169 5.292 7.050 . 0 0 "[ . 1 . 2]" 1
205 1 17 HIS HB2 1 60 LEU MD2 0.000 . 8.300 5.897 4.263 8.116 . 0 0 "[ . 1 . 2]" 1
206 1 17 HIS HB3 1 18 VAL H 0.000 . 3.580 2.785 2.390 3.448 . 0 0 "[ . 1 . 2]" 1
207 1 17 HIS HB3 1 60 LEU MD1 0.000 . 8.300 4.801 3.829 5.658 . 0 0 "[ . 1 . 2]" 1
208 1 17 HIS HB3 1 60 LEU MD2 0.000 . 8.300 4.688 2.962 7.039 . 0 0 "[ . 1 . 2]" 1
209 1 17 HIS QB 1 18 VAL H 0.000 . 3.220 2.607 2.341 2.856 . 0 0 "[ . 1 . 2]" 1
210 1 17 HIS QB 1 60 LEU QB 0.000 . 5.510 5.276 4.338 5.571 0.061 18 0 "[ . 1 . 2]" 1
211 1 17 HIS QB 1 60 LEU QD 0.000 . 6.440 3.975 2.854 4.616 . 0 0 "[ . 1 . 2]" 1
212 1 18 VAL H 1 18 VAL HB 0.000 . 2.550 2.476 2.161 2.580 0.030 14 0 "[ . 1 . 2]" 1
213 1 18 VAL H 1 18 VAL QG 0.000 . 4.230 2.255 1.961 2.767 . 0 0 "[ . 1 . 2]" 1
214 1 18 VAL H 1 19 LYS H 0.000 . 3.270 2.672 2.579 2.749 . 0 0 "[ . 1 . 2]" 1
215 1 18 VAL H 1 20 GLU H 0.000 . 4.260 4.137 3.934 4.292 0.032 17 0 "[ . 1 . 2]" 1
216 1 18 VAL H 1 60 LEU QD 0.000 . 8.100 5.100 4.094 5.596 . 0 0 "[ . 1 . 2]" 1
217 1 18 VAL HA 1 20 GLU H 0.000 . 4.820 4.488 4.348 4.621 . 0 0 "[ . 1 . 2]" 1
218 1 18 VAL HA 1 21 ALA H 0.000 . 3.480 3.423 3.254 3.517 0.037 9 0 "[ . 1 . 2]" 1
219 1 18 VAL HA 1 21 ALA MB 0.000 . 6.530 2.534 2.304 2.738 . 0 0 "[ . 1 . 2]" 1
220 1 18 VAL HA 1 60 LEU QD 0.000 . 8.100 3.569 2.381 4.157 . 0 0 "[ . 1 . 2]" 1
221 1 18 VAL HB 1 19 LYS H 0.000 . 2.860 2.537 2.412 2.878 0.018 18 0 "[ . 1 . 2]" 1
222 1 18 VAL HB 1 33 VAL MG1 0.000 . 4.820 3.656 2.874 4.799 . 0 0 "[ . 1 . 2]" 1
223 1 18 VAL HB 1 33 VAL MG2 0.000 . 4.820 3.495 2.953 4.207 . 0 0 "[ . 1 . 2]" 1
224 1 18 VAL HB 1 33 VAL QG 0.000 . 3.980 3.136 2.615 3.643 . 0 0 "[ . 1 . 2]" 1
225 1 18 VAL MG1 1 57 VAL HA 0.000 . 5.970 4.228 3.543 4.969 . 0 0 "[ . 1 . 2]" 1
226 1 18 VAL MG2 1 57 VAL HA 0.000 . 5.970 4.174 3.407 4.762 . 0 0 "[ . 1 . 2]" 1
227 1 18 VAL QG 1 19 LYS H 0.000 . 6.630 3.111 2.661 3.227 . 0 0 "[ . 1 . 2]" 1
228 1 18 VAL QG 1 22 LEU HG 0.000 . 8.090 2.800 2.165 3.274 . 0 0 "[ . 1 . 2]" 1
229 1 18 VAL QG 1 57 VAL H 0.000 . 8.090 4.848 4.470 5.180 . 0 0 "[ . 1 . 2]" 1
230 1 18 VAL QG 1 57 VAL HA 0.000 . 5.520 3.711 3.228 4.241 . 0 0 "[ . 1 . 2]" 1
231 1 19 LYS H 1 19 LYS HB2 0.000 . 2.800 2.469 2.183 2.802 0.002 13 0 "[ . 1 . 2]" 1
232 1 19 LYS H 1 19 LYS HB3 0.000 . 2.800 2.576 2.235 2.834 0.034 18 0 "[ . 1 . 2]" 1
233 1 19 LYS H 1 19 LYS QB 0.000 . 2.570 2.217 2.115 2.256 . 0 0 "[ . 1 . 2]" 1
234 1 19 LYS H 1 20 GLU H 0.000 . 2.930 2.750 2.644 2.858 . 0 0 "[ . 1 . 2]" 1
235 1 19 LYS H 1 33 VAL QG 0.000 . 6.410 3.146 2.906 3.556 . 0 0 "[ . 1 . 2]" 1
236 1 19 LYS HA 1 21 ALA H 0.000 . 4.420 4.456 4.420 4.485 0.065 19 0 "[ . 1 . 2]" 1
237 1 19 LYS HA 1 22 LEU H 0.000 . 3.950 3.470 3.327 3.678 . 0 0 "[ . 1 . 2]" 1
238 1 19 LYS HA 1 22 LEU HB2 0.000 . 3.920 2.582 2.328 2.998 . 0 0 "[ . 1 . 2]" 1
239 1 19 LYS HA 1 22 LEU QD 0.000 . 5.800 2.393 1.844 3.028 . 0 0 "[ . 1 . 2]" 1
240 1 19 LYS HA 1 23 GLU H 0.000 . 5.500 4.045 3.925 4.300 . 0 0 "[ . 1 . 2]" 1
241 1 19 LYS HA 1 31 ALA MB 0.000 . 4.230 2.982 2.465 3.420 . 0 0 "[ . 1 . 2]" 1
242 1 19 LYS HA 1 33 VAL QG 0.000 . 7.470 2.751 1.869 4.066 . 0 0 "[ . 1 . 2]" 1
243 1 19 LYS QB 1 20 GLU H 0.000 . 4.710 2.485 2.333 2.625 . 0 0 "[ . 1 . 2]" 1
244 1 19 LYS QB 1 33 VAL H 0.000 . 6.380 3.878 3.276 4.496 . 0 0 "[ . 1 . 2]" 1
245 1 19 LYS QG 1 20 GLU H 0.000 . 6.380 3.770 3.095 4.132 . 0 0 "[ . 1 . 2]" 1
246 1 19 LYS QG 1 32 LEU HA 0.000 . 6.380 4.010 2.868 5.000 . 0 0 "[ . 1 . 2]" 1
247 1 20 GLU H 1 20 GLU QB 0.000 . 3.590 2.231 2.026 2.718 . 0 0 "[ . 1 . 2]" 1
248 1 20 GLU H 1 22 LEU H 0.000 . 4.230 4.024 3.932 4.136 . 0 0 "[ . 1 . 2]" 1
249 1 20 GLU HA 1 22 LEU H 0.000 . 4.110 4.241 4.197 4.275 0.165 20 0 "[ . 1 . 2]" 1
250 1 20 GLU HA 1 23 GLU H 0.000 . 3.330 3.286 3.173 3.391 0.061 5 0 "[ . 1 . 2]" 1
251 1 20 GLU HA 1 23 GLU QB 0.000 . 4.980 2.553 2.304 2.843 . 0 0 "[ . 1 . 2]" 1
252 1 20 GLU HA 1 24 LYS H 0.000 . 5.160 4.153 3.990 4.265 . 0 0 "[ . 1 . 2]" 1
253 1 20 GLU QB 1 21 ALA H 0.000 . 3.990 2.676 2.436 3.457 . 0 0 "[ . 1 . 2]" 1
254 1 20 GLU QG 1 23 GLU QB 0.000 . 6.110 4.148 3.382 5.175 . 0 0 "[ . 1 . 2]" 1
255 1 21 ALA H 1 21 ALA HA 0.000 . 2.930 2.822 2.802 2.841 . 0 0 "[ . 1 . 2]" 1
256 1 21 ALA H 1 21 ALA MB 0.000 . 3.580 2.084 2.027 2.230 . 0 0 "[ . 1 . 2]" 1
257 1 21 ALA H 1 22 LEU H 0.000 . 2.960 2.580 2.502 2.658 . 0 0 "[ . 1 . 2]" 1
258 1 21 ALA H 1 22 LEU QD 0.000 . 8.100 4.780 4.599 4.965 . 0 0 "[ . 1 . 2]" 1
259 1 21 ALA H 1 23 GLU H 0.000 . 4.070 4.112 4.069 4.176 0.106 2 0 "[ . 1 . 2]" 1
260 1 21 ALA HA 1 24 LYS H 0.000 . 4.070 3.473 3.265 3.603 . 0 0 "[ . 1 . 2]" 1
261 1 21 ALA HA 1 24 LYS QB 0.000 . 5.700 2.490 2.114 2.878 . 0 0 "[ . 1 . 2]" 1
262 1 21 ALA HA 1 24 LYS QD 0.000 . 6.380 3.458 2.042 5.026 . 0 0 "[ . 1 . 2]" 1
263 1 21 ALA MB 1 22 LEU H 0.000 . 4.230 2.694 2.576 2.790 . 0 0 "[ . 1 . 2]" 1
264 1 21 ALA MB 1 57 VAL HA 0.000 . 6.530 4.325 3.452 4.864 . 0 0 "[ . 1 . 2]" 1
265 1 21 ALA MB 1 60 LEU HG 0.000 . 4.700 4.262 2.937 4.755 0.055 2 0 "[ . 1 . 2]" 1
266 1 22 LEU H 1 22 LEU HB2 0.000 . 2.620 2.294 2.202 2.462 . 0 0 "[ . 1 . 2]" 1
267 1 22 LEU H 1 22 LEU HB3 0.000 . 3.520 3.537 3.500 3.582 0.062 3 0 "[ . 1 . 2]" 1
268 1 22 LEU H 1 22 LEU HG 0.000 . 2.930 2.707 2.318 2.945 0.015 12 0 "[ . 1 . 2]" 1
269 1 22 LEU H 1 23 GLU H 0.000 . 2.710 2.600 2.563 2.658 . 0 0 "[ . 1 . 2]" 1
270 1 22 LEU H 1 24 LYS H 0.000 . 4.630 3.790 3.712 3.890 . 0 0 "[ . 1 . 2]" 1
271 1 22 LEU HA 1 22 LEU HB3 0.000 . 2.770 2.582 2.479 2.648 . 0 0 "[ . 1 . 2]" 1
272 1 22 LEU HA 1 24 LYS H 0.000 . 4.010 3.976 3.885 4.064 0.054 5 0 "[ . 1 . 2]" 1
273 1 22 LEU HA 1 25 VAL H 0.000 . 3.670 3.640 3.398 3.728 0.058 15 0 "[ . 1 . 2]" 1
274 1 22 LEU HA 1 25 VAL QG 0.000 . 6.230 2.934 2.323 3.339 . 0 0 "[ . 1 . 2]" 1
275 1 22 LEU HA 1 28 VAL QG 0.000 . 6.630 3.293 2.815 4.196 . 0 0 "[ . 1 . 2]" 1
276 1 22 LEU HA 1 56 ALA MB 0.000 . 6.530 4.820 4.354 5.591 . 0 0 "[ . 1 . 2]" 1
277 1 22 LEU HB2 1 23 GLU H 0.000 . 3.210 2.589 2.428 2.727 . 0 0 "[ . 1 . 2]" 1
278 1 22 LEU HB2 1 31 ALA MB 0.000 . 5.880 2.832 2.290 3.280 . 0 0 "[ . 1 . 2]" 1
279 1 22 LEU HB3 1 23 GLU H 0.000 . 4.010 3.343 3.144 3.560 . 0 0 "[ . 1 . 2]" 1
280 1 22 LEU HG 1 53 LEU HA 0.000 . 5.500 5.474 5.133 5.542 0.042 3 0 "[ . 1 . 2]" 1
281 1 22 LEU QD 1 23 GLU H 0.000 . 8.100 4.015 3.912 4.086 . 0 0 "[ . 1 . 2]" 1
282 1 22 LEU QD 1 53 LEU HA 0.000 . 8.100 3.465 2.643 4.420 . 0 0 "[ . 1 . 2]" 1
283 1 23 GLU H 1 23 GLU QB 0.000 . 3.650 2.199 2.077 2.328 . 0 0 "[ . 1 . 2]" 1
284 1 23 GLU H 1 23 GLU HG2 0.000 . 4.140 3.895 3.601 4.220 0.080 2 0 "[ . 1 . 2]" 1
285 1 23 GLU H 1 23 GLU HG3 0.000 . 4.140 2.872 2.507 3.304 . 0 0 "[ . 1 . 2]" 1
286 1 23 GLU H 1 23 GLU QG 0.000 . 3.630 2.799 2.462 3.188 . 0 0 "[ . 1 . 2]" 1
287 1 23 GLU H 1 24 LYS H 0.000 . 2.900 2.540 2.485 2.628 . 0 0 "[ . 1 . 2]" 1
288 1 23 GLU H 1 25 VAL H 0.000 . 4.510 4.029 3.911 4.103 . 0 0 "[ . 1 . 2]" 1
289 1 23 GLU H 1 31 ALA MB 0.000 . 6.530 3.756 3.223 4.435 . 0 0 "[ . 1 . 2]" 1
290 1 23 GLU HA 1 23 GLU HG2 0.000 . 2.960 2.384 2.115 2.599 . 0 0 "[ . 1 . 2]" 1
291 1 23 GLU HA 1 23 GLU HG3 0.000 . 2.960 2.813 2.435 3.044 0.084 14 0 "[ . 1 . 2]" 1
292 1 23 GLU HA 1 24 LYS H 0.000 . 3.550 3.400 3.356 3.461 . 0 0 "[ . 1 . 2]" 1
293 1 23 GLU HA 1 25 VAL H 0.000 . 4.040 3.565 3.430 3.720 . 0 0 "[ . 1 . 2]" 1
294 1 23 GLU HA 1 28 VAL HB 0.000 . 3.520 2.866 2.265 3.568 0.048 14 0 "[ . 1 . 2]" 1
295 1 23 GLU HA 1 28 VAL QG 0.000 . 5.610 2.406 1.413 3.205 . 0 0 "[ . 1 . 2]" 1
296 1 23 GLU HG2 1 28 VAL MG1 0.000 . 9.650 2.830 2.166 3.750 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLU HG2 1 28 VAL MG2 0.000 . 9.650 4.675 2.882 5.439 . 0 0 "[ . 1 . 2]" 1
298 1 23 GLU HG3 1 28 VAL MG1 0.000 . 9.650 3.172 1.991 4.390 . 0 0 "[ . 1 . 2]" 1
299 1 23 GLU HG3 1 28 VAL MG2 0.000 . 9.650 4.634 3.083 5.640 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLU QG 1 28 VAL QG 0.000 . 8.040 2.550 1.908 3.339 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLU QG 1 31 ALA H 0.000 . 6.160 3.276 2.245 4.639 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLU QG 1 31 ALA MB 0.000 . 7.190 2.307 1.742 3.531 . 0 0 "[ . 1 . 2]" 1
303 1 24 LYS H 1 24 LYS HB2 0.000 . 3.420 2.477 2.095 3.491 0.071 5 0 "[ . 1 . 2]" 1
304 1 24 LYS H 1 24 LYS HB3 0.000 . 3.420 2.958 2.126 3.563 0.143 14 0 "[ . 1 . 2]" 1
305 1 24 LYS H 1 24 LYS QB 0.000 . 3.080 2.128 2.073 2.312 . 0 0 "[ . 1 . 2]" 1
306 1 24 LYS H 1 24 LYS QG 0.000 . 5.070 3.441 2.669 4.000 . 0 0 "[ . 1 . 2]" 1
307 1 24 LYS H 1 25 VAL H 0.000 . 2.620 2.405 2.371 2.477 . 0 0 "[ . 1 . 2]" 1
308 1 24 LYS H 1 25 VAL HB 0.000 . 4.480 4.532 4.365 4.579 0.099 7 0 "[ . 1 . 2]" 1
309 1 24 LYS HA 1 24 LYS QB 0.000 . 2.680 2.424 2.147 2.541 . 0 0 "[ . 1 . 2]" 1
310 1 24 LYS HA 1 25 VAL H 0.000 . 3.420 3.406 3.367 3.442 0.022 9 0 "[ . 1 . 2]" 1
311 1 24 LYS HB2 1 25 VAL H 0.000 . 4.450 3.688 3.130 4.431 . 0 0 "[ . 1 . 2]" 1
312 1 24 LYS HB3 1 25 VAL H 0.000 . 4.450 3.464 2.909 4.037 . 0 0 "[ . 1 . 2]" 1
313 1 24 LYS QB 1 25 VAL H 0.000 . 4.130 3.128 2.842 3.599 . 0 0 "[ . 1 . 2]" 1
314 1 25 VAL H 1 25 VAL HB 0.000 . 2.400 2.388 2.223 2.433 0.033 20 0 "[ . 1 . 2]" 1
315 1 25 VAL H 1 25 VAL MG1 0.000 . 4.790 3.735 3.572 3.759 . 0 0 "[ . 1 . 2]" 1
316 1 25 VAL H 1 25 VAL MG2 0.000 . 4.790 2.510 2.305 2.970 . 0 0 "[ . 1 . 2]" 1
317 1 25 VAL H 1 25 VAL QG 0.000 . 4.050 2.470 2.285 2.832 . 0 0 "[ . 1 . 2]" 1
318 1 25 VAL H 1 28 VAL QG 0.000 . 8.090 3.682 3.400 3.990 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL HB 1 27 GLY H 0.000 . 4.420 3.897 3.488 4.559 0.139 20 0 "[ . 1 . 2]" 1
320 1 25 VAL MG1 1 26 PRO QD 0.000 . 7.400 2.274 1.963 2.529 . 0 0 "[ . 1 . 2]" 1
321 1 25 VAL MG2 1 26 PRO QD 0.000 . 7.400 3.372 2.943 3.566 . 0 0 "[ . 1 . 2]" 1
322 1 25 VAL QG 1 26 PRO QD 0.000 . 7.130 2.236 1.949 2.467 . 0 0 "[ . 1 . 2]" 1
323 1 25 VAL QG 1 27 GLY H 0.000 . 8.090 1.927 1.421 3.697 . 0 0 "[ . 1 . 2]" 1
324 1 26 PRO HA 1 27 GLY H 0.000 . 3.450 3.294 2.241 3.478 0.028 15 0 "[ . 1 . 2]" 1
325 1 26 PRO HA 1 28 VAL H 0.000 . 4.010 3.662 3.387 3.759 . 0 0 "[ . 1 . 2]" 1
326 1 26 PRO HA 1 28 VAL HB 0.000 . 5.220 5.135 4.837 5.299 0.079 7 0 "[ . 1 . 2]" 1
327 1 26 PRO HA 1 28 VAL QG 0.000 . 8.090 4.837 3.789 5.233 . 0 0 "[ . 1 . 2]" 1
328 1 26 PRO HB2 1 27 GLY H 0.000 . 4.540 3.572 3.083 4.240 . 0 0 "[ . 1 . 2]" 1
329 1 26 PRO HB3 1 27 GLY H 0.000 . 4.540 4.367 4.237 4.556 0.016 3 0 "[ . 1 . 2]" 1
330 1 26 PRO QB 1 27 GLY H 0.000 . 4.190 3.399 3.014 3.776 . 0 0 "[ . 1 . 2]" 1
331 1 26 PRO QD 1 27 GLY H 0.000 . 5.450 2.992 2.562 4.539 . 0 0 "[ . 1 . 2]" 1
332 1 27 GLY H 1 28 VAL H 0.000 . 2.770 2.387 1.695 2.577 . 0 0 "[ . 1 . 2]" 1
333 1 27 GLY H 1 45 VAL QG 0.000 . 8.090 4.887 4.382 5.343 . 0 0 "[ . 1 . 2]" 1
334 1 27 GLY HA3 1 28 VAL H 0.000 . 3.520 3.170 3.015 3.310 . 0 0 "[ . 1 . 2]" 1
335 1 27 GLY HA3 1 45 VAL H 0.000 . 3.980 3.971 3.766 4.058 0.078 18 0 "[ . 1 . 2]" 1
336 1 27 GLY HA3 1 45 VAL HB 0.000 . 5.500 4.021 3.440 4.404 . 0 0 "[ . 1 . 2]" 1
337 1 27 GLY HA3 1 45 VAL MG1 0.000 . 8.870 5.046 3.158 5.660 . 0 0 "[ . 1 . 2]" 1
338 1 27 GLY HA3 1 45 VAL MG2 0.000 . 8.870 4.174 3.767 5.493 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLY HA3 1 48 THR MG 0.000 . 4.980 2.212 1.685 3.289 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLY HA2 1 28 VAL H 0.000 . 3.520 3.360 3.236 3.432 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLY HA2 1 45 VAL H 0.000 . 3.980 3.701 3.453 3.939 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLY HA2 1 45 VAL HB 0.000 . 5.500 3.120 2.271 3.672 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLY HA2 1 45 VAL MG1 0.000 . 8.870 4.126 2.731 4.853 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLY HA2 1 45 VAL MG2 0.000 . 8.870 2.993 2.567 4.440 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLY HA2 1 48 THR MG 0.000 . 4.980 3.571 2.864 4.716 . 0 0 "[ . 1 . 2]" 1
346 1 27 GLY QA 1 45 VAL QG 0.000 . 7.060 2.714 2.498 3.151 . 0 0 "[ . 1 . 2]" 1
347 1 27 GLY QA 1 48 THR MG 0.000 . 4.680 2.189 1.678 3.230 . 0 0 "[ . 1 . 2]" 1
348 1 28 VAL H 1 28 VAL HB 0.000 . 2.430 2.426 2.279 2.498 0.068 16 0 "[ . 1 . 2]" 1
349 1 28 VAL H 1 28 VAL QG 0.000 . 4.120 2.569 2.408 2.818 . 0 0 "[ . 1 . 2]" 1
350 1 28 VAL HA 1 29 GLN H 0.000 . 3.080 2.158 2.117 2.244 . 0 0 "[ . 1 . 2]" 1
351 1 28 VAL HA 1 30 SER H 0.000 . 4.010 3.904 3.584 4.103 0.093 1 0 "[ . 1 . 2]" 1
352 1 28 VAL HA 1 44 ILE HA 0.000 . 3.520 2.306 2.047 2.705 . 0 0 "[ . 1 . 2]" 1
353 1 28 VAL HA 1 44 ILE MG 0.000 . 5.410 2.154 1.653 3.444 . 0 0 "[ . 1 . 2]" 1
354 1 28 VAL MG1 1 29 GLN H 0.000 . 5.940 2.852 2.457 3.416 . 0 0 "[ . 1 . 2]" 1
355 1 28 VAL MG2 1 29 GLN H 0.000 . 5.940 3.620 2.224 4.120 . 0 0 "[ . 1 . 2]" 1
356 1 28 VAL QG 1 29 GLN H 0.000 . 5.330 2.591 2.196 2.959 . 0 0 "[ . 1 . 2]" 1
357 1 28 VAL QG 1 30 SER H 0.000 . 5.820 2.577 2.251 2.913 . 0 0 "[ . 1 . 2]" 1
358 1 28 VAL QG 1 30 SER HA 0.000 . 7.560 3.366 3.063 3.693 . 0 0 "[ . 1 . 2]" 1
359 1 28 VAL QG 1 31 ALA H 0.000 . 8.090 3.348 2.837 3.944 . 0 0 "[ . 1 . 2]" 1
360 1 28 VAL QG 1 42 LEU QD 0.000 . 9.480 2.642 1.765 3.883 . 0 0 "[ . 1 . 2]" 1
361 1 28 VAL QG 1 43 ALA H 0.000 . 8.090 3.573 3.055 4.150 . 0 0 "[ . 1 . 2]" 1
362 1 28 VAL QG 1 44 ILE HA 0.000 . 7.750 3.326 2.922 3.682 . 0 0 "[ . 1 . 2]" 1
363 1 29 GLN H 1 30 SER H 0.000 . 2.900 2.273 1.990 2.511 . 0 0 "[ . 1 . 2]" 1
364 1 29 GLN H 1 43 ALA MB 0.000 . 6.530 3.735 3.369 4.218 . 0 0 "[ . 1 . 2]" 1
365 1 29 GLN H 1 44 ILE HA 0.000 . 3.520 2.465 2.135 2.830 . 0 0 "[ . 1 . 2]" 1
366 1 29 GLN QB 1 30 SER H 0.000 . 4.140 2.608 2.342 3.114 . 0 0 "[ . 1 . 2]" 1
367 1 29 GLN QG 1 30 SER H 0.000 . 6.380 4.094 2.740 4.479 . 0 0 "[ . 1 . 2]" 1
368 1 29 GLN QG 1 44 ILE HA 0.000 . 6.380 4.600 2.666 5.891 . 0 0 "[ . 1 . 2]" 1
369 1 29 GLN QG 1 45 VAL QG 0.000 . 8.960 3.044 1.903 4.023 . 0 0 "[ . 1 . 2]" 1
370 1 30 SER H 1 31 ALA H 0.000 . 4.320 4.090 3.667 4.319 . 0 0 "[ . 1 . 2]" 1
371 1 30 SER H 1 31 ALA HA 0.000 . 4.850 4.570 4.366 4.727 . 0 0 "[ . 1 . 2]" 1
372 1 30 SER H 1 42 LEU HA 0.000 . 5.070 4.732 4.481 4.995 . 0 0 "[ . 1 . 2]" 1
373 1 30 SER H 1 43 ALA H 0.000 . 3.110 3.083 2.769 3.236 0.126 18 0 "[ . 1 . 2]" 1
374 1 30 SER H 1 43 ALA MB 0.000 . 4.610 2.777 2.315 3.188 . 0 0 "[ . 1 . 2]" 1
375 1 30 SER H 1 44 ILE HA 0.000 . 5.310 4.175 3.712 4.329 . 0 0 "[ . 1 . 2]" 1
376 1 30 SER HA 1 31 ALA H 0.000 . 2.460 2.185 2.123 2.303 . 0 0 "[ . 1 . 2]" 1
377 1 30 SER HA 1 31 ALA MB 0.000 . 6.530 3.930 3.783 4.108 . 0 0 "[ . 1 . 2]" 1
378 1 30 SER QB 1 31 ALA H 0.000 . 4.420 3.220 2.762 3.644 . 0 0 "[ . 1 . 2]" 1
379 1 30 SER QB 1 43 ALA H 0.000 . 6.380 3.577 2.777 3.947 . 0 0 "[ . 1 . 2]" 1
380 1 30 SER QB 1 43 ALA MB 0.000 . 7.400 2.764 2.052 3.563 . 0 0 "[ . 1 . 2]" 1
381 1 31 ALA H 1 32 LEU H 0.000 . 4.320 4.014 3.438 4.306 . 0 0 "[ . 1 . 2]" 1
382 1 31 ALA H 1 42 LEU QB 0.000 . 6.380 5.363 4.150 6.497 0.117 18 0 "[ . 1 . 2]" 1
383 1 31 ALA HA 1 32 LEU H 0.000 . 2.400 2.202 2.135 2.315 . 0 0 "[ . 1 . 2]" 1
384 1 31 ALA HA 1 32 LEU QB 0.000 . 6.280 4.542 4.020 4.833 . 0 0 "[ . 1 . 2]" 1
385 1 31 ALA HA 1 42 LEU HA 0.000 . 3.080 2.204 1.721 2.548 . 0 0 "[ . 1 . 2]" 1
386 1 31 ALA HA 1 42 LEU HG 0.000 . 5.500 4.586 2.812 5.424 . 0 0 "[ . 1 . 2]" 1
387 1 31 ALA HA 1 43 ALA H 0.000 . 3.520 3.289 2.863 3.541 0.021 6 0 "[ . 1 . 2]" 1
388 1 31 ALA MB 1 42 LEU HA 0.000 . 6.530 3.541 2.744 3.829 . 0 0 "[ . 1 . 2]" 1
389 1 32 LEU H 1 32 LEU HG 0.000 . 3.700 2.680 1.748 3.774 0.074 2 0 "[ . 1 . 2]" 1
390 1 32 LEU H 1 33 VAL QG 0.000 . 8.090 4.148 3.867 5.216 . 0 0 "[ . 1 . 2]" 1
391 1 32 LEU H 1 41 GLN H 0.000 . 3.760 3.757 3.562 3.831 0.071 12 0 "[ . 1 . 2]" 1
392 1 32 LEU H 1 41 GLN QB 0.000 . 6.380 3.525 3.024 3.938 . 0 0 "[ . 1 . 2]" 1
393 1 32 LEU H 1 42 LEU H 0.000 . 5.500 4.661 4.309 4.973 . 0 0 "[ . 1 . 2]" 1
394 1 32 LEU H 1 42 LEU HA 0.000 . 3.980 2.926 2.437 3.445 . 0 0 "[ . 1 . 2]" 1
395 1 32 LEU HA 1 33 VAL H 0.000 . 2.430 2.271 2.116 2.472 0.042 12 0 "[ . 1 . 2]" 1
396 1 32 LEU HA 1 33 VAL QG 0.000 . 8.090 3.732 3.427 4.105 . 0 0 "[ . 1 . 2]" 1
397 1 32 LEU QB 1 33 VAL H 0.000 . 5.380 3.725 3.423 3.884 . 0 0 "[ . 1 . 2]" 1
398 1 32 LEU QB 1 41 GLN H 0.000 . 6.070 3.723 3.069 4.606 . 0 0 "[ . 1 . 2]" 1
399 1 32 LEU QB 1 41 GLN QB 0.000 . 7.250 2.634 1.636 3.848 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU QB 1 41 GLN QG 0.000 . 7.250 4.035 2.070 5.678 . 0 0 "[ . 1 . 2]" 1
401 1 32 LEU HG 1 33 VAL H 0.000 . 5.500 4.805 3.709 5.146 . 0 0 "[ . 1 . 2]" 1
402 1 33 VAL H 1 33 VAL HB 0.000 . 2.960 2.689 2.414 2.812 . 0 0 "[ . 1 . 2]" 1
403 1 33 VAL HA 1 34 SER H 0.000 . 2.400 2.148 2.102 2.266 . 0 0 "[ . 1 . 2]" 1
404 1 33 VAL HA 1 40 ALA HA 0.000 . 4.040 1.753 1.608 1.997 . 0 0 "[ . 1 . 2]" 1
405 1 33 VAL HA 1 40 ALA MB 0.000 . 6.530 2.842 2.459 3.303 . 0 0 "[ . 1 . 2]" 1
406 1 33 VAL HA 1 41 GLN H 0.000 . 3.270 2.655 2.489 2.952 . 0 0 "[ . 1 . 2]" 1
407 1 33 VAL HB 1 34 SER H 0.000 . 4.070 4.047 3.832 4.172 0.102 12 0 "[ . 1 . 2]" 1
408 1 33 VAL HB 1 41 GLN H 0.000 . 5.500 5.465 4.750 5.601 0.101 17 0 "[ . 1 . 2]" 1
409 1 33 VAL MG1 1 34 SER H 0.000 . 6.530 2.705 2.409 3.421 . 0 0 "[ . 1 . 2]" 1
410 1 33 VAL MG1 1 41 GLN H 0.000 . 6.530 4.318 3.904 5.452 . 0 0 "[ . 1 . 2]" 1
411 1 33 VAL MG2 1 34 SER H 0.000 . 6.530 3.989 1.921 4.281 . 0 0 "[ . 1 . 2]" 1
412 1 33 VAL MG2 1 41 GLN H 0.000 . 6.530 3.933 3.402 4.422 . 0 0 "[ . 1 . 2]" 1
413 1 33 VAL QG 1 34 SER H 0.000 . 5.290 2.551 1.908 2.884 . 0 0 "[ . 1 . 2]" 1
414 1 33 VAL QG 1 40 ALA MB 0.000 . 8.220 1.872 1.603 2.123 . 0 0 "[ . 1 . 2]" 1
415 1 34 SER H 1 34 SER QB 0.000 . 3.770 2.765 2.313 2.977 . 0 0 "[ . 1 . 2]" 1
416 1 34 SER H 1 35 TYR H 0.000 . 5.160 4.177 3.849 4.363 . 0 0 "[ . 1 . 2]" 1
417 1 34 SER H 1 39 THR H 0.000 . 3.730 3.562 3.354 3.758 0.028 1 0 "[ . 1 . 2]" 1
418 1 34 SER H 1 40 ALA HA 0.000 . 3.640 2.699 2.221 3.162 . 0 0 "[ . 1 . 2]" 1
419 1 34 SER H 1 40 ALA MB 0.000 . 6.530 4.039 3.643 4.427 . 0 0 "[ . 1 . 2]" 1
420 1 34 SER HA 1 35 TYR H 0.000 . 2.400 2.155 2.074 2.306 . 0 0 "[ . 1 . 2]" 1
421 1 34 SER HA 1 36 PRO QD 0.000 . 6.380 2.945 2.728 3.160 . 0 0 "[ . 1 . 2]" 1
422 1 34 SER HA 1 37 LYS H 0.000 . 4.480 4.382 4.234 4.503 0.023 3 0 "[ . 1 . 2]" 1
423 1 34 SER QB 1 35 TYR H 0.000 . 4.490 3.572 3.390 3.807 . 0 0 "[ . 1 . 2]" 1
424 1 34 SER QB 1 37 LYS HB2 0.000 . 6.380 2.019 1.486 2.664 . 0 0 "[ . 1 . 2]" 1
425 1 34 SER QB 1 37 LYS HB3 0.000 . 6.380 2.781 2.257 3.393 . 0 0 "[ . 1 . 2]" 1
426 1 34 SER QB 1 37 LYS QD 0.000 . 7.250 3.296 2.012 4.829 . 0 0 "[ . 1 . 2]" 1
427 1 34 SER QB 1 39 THR H 0.000 . 5.350 3.008 2.554 3.379 . 0 0 "[ . 1 . 2]" 1
428 1 34 SER QB 1 39 THR MG 0.000 . 7.400 5.002 4.476 5.566 . 0 0 "[ . 1 . 2]" 1
429 1 34 SER QB 1 41 GLN H 0.000 . 6.380 5.189 4.719 5.898 . 0 0 "[ . 1 . 2]" 1
430 1 35 TYR H 1 35 TYR HB2 0.000 . 3.300 3.320 2.884 3.537 0.237 4 0 "[ . 1 . 2]" 1
431 1 35 TYR H 1 35 TYR HB3 0.000 . 3.300 2.250 2.034 3.486 0.186 13 0 "[ . 1 . 2]" 1
432 1 35 TYR H 1 35 TYR QB 0.000 . 3.040 2.178 2.015 2.965 . 0 0 "[ . 1 . 2]" 1
433 1 35 TYR H 1 36 PRO QD 0.000 . 5.170 2.273 2.156 2.378 . 0 0 "[ . 1 . 2]" 1
434 1 35 TYR HA 1 35 TYR HB2 0.000 . 2.990 2.307 2.210 2.959 . 0 0 "[ . 1 . 2]" 1
435 1 35 TYR HA 1 35 TYR HB3 0.000 . 2.990 2.688 2.216 2.974 . 0 0 "[ . 1 . 2]" 1
436 1 35 TYR HA 1 35 TYR QB 0.000 . 2.750 2.144 2.124 2.216 . 0 0 "[ . 1 . 2]" 1
437 1 35 TYR HA 1 37 LYS H 0.000 . 4.910 3.925 3.723 4.311 . 0 0 "[ . 1 . 2]" 1
438 1 35 TYR HA 1 38 GLY H 0.000 . 3.830 3.412 3.192 3.622 . 0 0 "[ . 1 . 2]" 1
439 1 35 TYR QB 1 36 PRO QD 0.000 . 7.260 2.736 2.125 3.247 . 0 0 "[ . 1 . 2]" 1
440 1 36 PRO QD 1 37 LYS H 0.000 . 5.140 2.594 2.346 2.984 . 0 0 "[ . 1 . 2]" 1
441 1 36 PRO QD 1 38 GLY H 0.000 . 6.380 4.113 3.957 4.262 . 0 0 "[ . 1 . 2]" 1
442 1 37 LYS H 1 37 LYS HB2 0.000 . 3.420 2.313 2.203 2.493 . 0 0 "[ . 1 . 2]" 1
443 1 37 LYS H 1 37 LYS HB3 0.000 . 3.420 3.268 2.952 3.495 0.075 4 0 "[ . 1 . 2]" 1
444 1 37 LYS H 1 37 LYS QB 0.000 . 3.240 2.261 2.177 2.367 . 0 0 "[ . 1 . 2]" 1
445 1 37 LYS H 1 37 LYS QG 0.000 . 4.670 3.718 3.284 4.159 . 0 0 "[ . 1 . 2]" 1
446 1 37 LYS H 1 37 LYS QD 0.000 . 4.580 4.194 2.973 4.683 0.103 14 0 "[ . 1 . 2]" 1
447 1 37 LYS H 1 38 GLY H 0.000 . 2.710 2.058 1.993 2.158 . 0 0 "[ . 1 . 2]" 1
448 1 37 LYS H 1 39 THR H 0.000 . 3.610 3.647 3.504 3.718 0.108 16 0 "[ . 1 . 2]" 1
449 1 37 LYS HA 1 38 GLY H 0.000 . 3.580 3.437 3.346 3.509 . 0 0 "[ . 1 . 2]" 1
450 1 37 LYS HB2 1 38 GLY H 0.000 . 4.290 3.419 2.991 3.829 . 0 0 "[ . 1 . 2]" 1
451 1 37 LYS HB3 1 38 GLY H 0.000 . 4.290 3.408 2.988 3.762 . 0 0 "[ . 1 . 2]" 1
452 1 37 LYS QB 1 38 GLY H 0.000 . 3.890 3.013 2.744 3.257 . 0 0 "[ . 1 . 2]" 1
453 1 37 LYS QB 1 39 THR H 0.000 . 4.490 2.665 2.278 2.947 . 0 0 "[ . 1 . 2]" 1
454 1 38 GLY H 1 38 GLY HA3 0.000 . 2.960 2.862 2.805 2.912 . 0 0 "[ . 1 . 2]" 1
455 1 38 GLY H 1 38 GLY HA2 0.000 . 2.960 2.310 2.286 2.338 . 0 0 "[ . 1 . 2]" 1
456 1 38 GLY H 1 39 THR H 0.000 . 2.960 2.463 2.240 2.677 . 0 0 "[ . 1 . 2]" 1
457 1 39 THR H 1 39 THR HB 0.000 . 4.040 3.452 3.181 3.735 . 0 0 "[ . 1 . 2]" 1
458 1 39 THR HA 1 40 ALA H 0.000 . 2.460 2.336 2.240 2.503 0.043 9 0 "[ . 1 . 2]" 1
459 1 39 THR HB 1 40 ALA H 0.000 . 2.900 2.839 2.150 2.997 0.097 17 0 "[ . 1 . 2]" 1
460 1 39 THR MG 1 40 ALA H 0.000 . 5.010 2.811 2.181 3.469 . 0 0 "[ . 1 . 2]" 1
461 1 40 ALA HA 1 41 GLN H 0.000 . 2.490 2.145 2.125 2.166 . 0 0 "[ . 1 . 2]" 1
462 1 41 GLN HA 1 42 LEU H 0.000 . 2.460 2.216 2.153 2.373 . 0 0 "[ . 1 . 2]" 1
463 1 41 GLN QG 1 42 LEU H 0.000 . 6.380 4.018 3.268 4.824 . 0 0 "[ . 1 . 2]" 1
464 1 42 LEU H 1 42 LEU HG 0.000 . 5.500 3.060 1.555 4.460 . 0 0 "[ . 1 . 2]" 1
465 1 42 LEU HA 1 42 LEU QD 0.000 . 4.270 2.961 1.841 3.435 . 0 0 "[ . 1 . 2]" 1
466 1 42 LEU HA 1 43 ALA H 0.000 . 2.400 2.157 2.087 2.358 . 0 0 "[ . 1 . 2]" 1
467 1 42 LEU QB 1 43 ALA H 0.000 . 4.330 3.134 2.489 3.651 . 0 0 "[ . 1 . 2]" 1
468 1 42 LEU QD 1 53 LEU HA 0.000 . 8.100 5.258 4.197 6.006 . 0 0 "[ . 1 . 2]" 1
469 1 43 ALA H 1 44 ILE MG 0.000 . 5.880 4.315 3.433 4.997 . 0 0 "[ . 1 . 2]" 1
470 1 43 ALA HA 1 44 ILE H 0.000 . 2.490 2.185 2.135 2.308 . 0 0 "[ . 1 . 2]" 1
471 1 44 ILE HA 1 45 VAL H 0.000 . 2.680 2.345 2.218 2.479 . 0 0 "[ . 1 . 2]" 1
472 1 44 ILE HB 1 45 VAL H 0.000 . 3.080 2.513 2.223 2.889 . 0 0 "[ . 1 . 2]" 1
473 1 44 ILE HB 1 48 THR H 0.000 . 5.500 4.360 3.862 4.809 . 0 0 "[ . 1 . 2]" 1
474 1 44 ILE HB 1 48 THR HB 0.000 . 4.850 2.959 2.041 4.273 . 0 0 "[ . 1 . 2]" 1
475 1 44 ILE MG 1 48 THR HB 0.000 . 6.530 3.219 2.436 4.186 . 0 0 "[ . 1 . 2]" 1
476 1 44 ILE MG 1 53 LEU HG 0.000 . 4.850 4.170 3.589 4.732 . 0 0 "[ . 1 . 2]" 1
477 1 44 ILE QG 1 45 VAL H 0.000 . 6.380 4.135 3.441 4.527 . 0 0 "[ . 1 . 2]" 1
478 1 44 ILE QG 1 48 THR HB 0.000 . 6.380 4.404 2.677 5.856 . 0 0 "[ . 1 . 2]" 1
479 1 44 ILE MD 1 48 THR H 0.000 . 5.910 4.012 3.332 5.498 . 0 0 "[ . 1 . 2]" 1
480 1 44 ILE MD 1 48 THR HB 0.000 . 5.470 3.047 1.965 4.537 . 0 0 "[ . 1 . 2]" 1
481 1 45 VAL H 1 45 VAL HB 0.000 . 2.860 2.509 2.173 2.772 . 0 0 "[ . 1 . 2]" 1
482 1 45 VAL H 1 48 THR H 0.000 . 4.720 4.614 4.218 4.761 0.041 7 0 "[ . 1 . 2]" 1
483 1 45 VAL H 1 48 THR HG1 0.000 . 4.140 3.197 2.769 4.157 0.017 6 0 "[ . 1 . 2]" 1
484 1 45 VAL HB 1 46 PRO QD 0.000 . 6.190 4.015 3.786 4.187 . 0 0 "[ . 1 . 2]" 1
485 1 45 VAL HB 1 48 THR H 0.000 . 5.160 4.013 3.250 5.115 . 0 0 "[ . 1 . 2]" 1
486 1 45 VAL QG 1 47 GLY QA 0.000 . 8.660 3.883 2.709 4.458 . 0 0 "[ . 1 . 2]" 1
487 1 45 VAL QG 1 48 THR H 0.000 . 8.090 3.800 2.491 4.296 . 0 0 "[ . 1 . 2]" 1
488 1 47 GLY H 1 48 THR H 0.000 . 2.990 2.364 1.778 2.891 . 0 0 "[ . 1 . 2]" 1
489 1 47 GLY HA3 1 48 THR H 0.000 . 3.550 2.829 2.742 2.949 . 0 0 "[ . 1 . 2]" 1
490 1 47 GLY HA2 1 48 THR H 0.000 . 3.550 3.510 3.469 3.540 . 0 0 "[ . 1 . 2]" 1
491 1 48 THR H 1 48 THR HB 0.000 . 3.240 2.979 2.801 3.245 0.005 14 0 "[ . 1 . 2]" 1
492 1 48 THR H 1 48 THR HG1 0.000 . 2.550 2.037 1.833 2.514 . 0 0 "[ . 1 . 2]" 1
493 1 48 THR HA 1 49 SER H 0.000 . 2.900 2.177 2.112 2.470 . 0 0 "[ . 1 . 2]" 1
494 1 48 THR HA 1 49 SER HA 0.000 . 4.200 4.328 4.280 4.413 0.213 1 0 "[ . 1 . 2]" 1
495 1 48 THR HA 1 52 ALA MB 0.000 . 6.370 4.995 4.284 5.702 . 0 0 "[ . 1 . 2]" 1
496 1 48 THR HB 1 49 SER H 0.000 . 3.950 3.723 2.616 4.012 0.062 15 0 "[ . 1 . 2]" 1
497 1 48 THR HB 1 52 ALA MB 0.000 . 6.530 5.332 4.733 5.947 . 0 0 "[ . 1 . 2]" 1
498 1 48 THR MG 1 49 SER H 0.000 . 4.570 2.692 1.708 3.203 . 0 0 "[ . 1 . 2]" 1
499 1 48 THR MG 1 53 LEU HG 0.000 . 6.530 4.125 3.414 5.066 . 0 0 "[ . 1 . 2]" 1
500 1 49 SER H 1 49 SER HA 0.000 . 2.830 2.858 2.838 2.912 0.082 11 0 "[ . 1 . 2]" 1
501 1 49 SER H 1 52 ALA MB 0.000 . 6.530 3.582 2.869 4.247 . 0 0 "[ . 1 . 2]" 1
502 1 49 SER HA 1 50 PRO HA 0.000 . 4.450 4.453 4.394 4.492 0.042 6 0 "[ . 1 . 2]" 1
503 1 49 SER HA 1 51 ASP H 0.000 . 3.980 3.695 3.551 4.010 0.030 1 0 "[ . 1 . 2]" 1
504 1 49 SER HA 1 52 ALA H 0.000 . 4.910 4.515 4.167 4.776 . 0 0 "[ . 1 . 2]" 1
505 1 49 SER QB 1 51 ASP HB2 0.000 . 6.380 4.356 3.789 5.241 . 0 0 "[ . 1 . 2]" 1
506 1 49 SER QB 1 51 ASP HB3 0.000 . 6.380 3.247 2.747 4.138 . 0 0 "[ . 1 . 2]" 1
507 1 49 SER QB 1 51 ASP QB 0.000 . 6.250 3.139 2.703 3.991 . 0 0 "[ . 1 . 2]" 1
508 1 49 SER QB 1 52 ALA H 0.000 . 4.700 2.736 2.387 3.120 . 0 0 "[ . 1 . 2]" 1
509 1 49 SER QB 1 52 ALA MB 0.000 . 6.230 2.642 1.976 3.344 . 0 0 "[ . 1 . 2]" 1
510 1 50 PRO HA 1 52 ALA H 0.000 . 3.480 3.642 3.560 3.745 0.265 1 0 "[ . 1 . 2]" 1
511 1 50 PRO HA 1 53 LEU H 0.000 . 3.390 3.141 2.871 3.425 0.035 7 0 "[ . 1 . 2]" 1
512 1 50 PRO HA 1 53 LEU HB2 0.000 . 5.500 3.388 2.965 4.022 . 0 0 "[ . 1 . 2]" 1
513 1 50 PRO HA 1 53 LEU HB3 0.000 . 5.500 4.638 4.237 5.100 . 0 0 "[ . 1 . 2]" 1
514 1 50 PRO HA 1 53 LEU QB 0.000 . 5.230 3.306 2.910 3.880 . 0 0 "[ . 1 . 2]" 1
515 1 50 PRO HA 1 53 LEU HG 0.000 . 5.500 2.516 2.101 3.170 . 0 0 "[ . 1 . 2]" 1
516 1 50 PRO HA 1 53 LEU QD 0.000 . 7.170 1.810 1.444 2.116 . 0 0 "[ . 1 . 2]" 1
517 1 50 PRO HB2 1 51 ASP H 0.000 . 4.660 3.337 2.989 3.696 . 0 0 "[ . 1 . 2]" 1
518 1 50 PRO HB2 1 52 ALA H 0.000 . 5.500 4.947 4.797 5.121 . 0 0 "[ . 1 . 2]" 1
519 1 50 PRO HB2 1 66 LEU HB2 0.000 . 7.060 5.443 3.630 6.491 . 0 0 "[ . 1 . 2]" 1
520 1 50 PRO HB2 1 66 LEU HB3 0.000 . 7.060 5.268 3.608 6.232 . 0 0 "[ . 1 . 2]" 1
521 1 50 PRO HB3 1 51 ASP H 0.000 . 4.660 4.308 4.198 4.399 . 0 0 "[ . 1 . 2]" 1
522 1 50 PRO HB3 1 52 ALA H 0.000 . 5.500 5.458 5.394 5.532 0.032 17 0 "[ . 1 . 2]" 1
523 1 50 PRO HB3 1 66 LEU HB2 0.000 . 7.060 6.213 3.560 7.087 0.027 15 0 "[ . 1 . 2]" 1
524 1 50 PRO HB3 1 66 LEU HB3 0.000 . 7.060 6.147 3.859 7.101 0.041 10 0 "[ . 1 . 2]" 1
525 1 50 PRO QB 1 51 ASP H 0.000 . 4.420 3.224 2.928 3.514 . 0 0 "[ . 1 . 2]" 1
526 1 50 PRO QB 1 52 ALA H 0.000 . 5.370 4.595 4.500 4.720 . 0 0 "[ . 1 . 2]" 1
527 1 50 PRO QB 1 66 LEU QB 0.000 . 5.750 4.433 2.899 5.024 . 0 0 "[ . 1 . 2]" 1
528 1 50 PRO QG 1 51 ASP H 0.000 . 4.420 3.525 2.652 4.071 . 0 0 "[ . 1 . 2]" 1
529 1 50 PRO QD 1 51 ASP H 0.000 . 4.610 2.594 2.247 2.885 . 0 0 "[ . 1 . 2]" 1
530 1 50 PRO QD 1 52 ALA H 0.000 . 6.380 4.301 4.012 4.576 . 0 0 "[ . 1 . 2]" 1
531 1 51 ASP H 1 51 ASP HB2 0.000 . 3.360 2.797 2.217 3.545 0.185 1 0 "[ . 1 . 2]" 1
532 1 51 ASP H 1 51 ASP HB3 0.000 . 3.360 2.386 2.052 3.003 . 0 0 "[ . 1 . 2]" 1
533 1 51 ASP H 1 51 ASP QB 0.000 . 2.910 2.172 2.025 2.357 . 0 0 "[ . 1 . 2]" 1
534 1 51 ASP H 1 52 ALA H 0.000 . 2.740 2.367 2.316 2.432 . 0 0 "[ . 1 . 2]" 1
535 1 51 ASP H 1 52 ALA HA 0.000 . 4.820 4.983 4.935 5.031 0.211 16 0 "[ . 1 . 2]" 1
536 1 51 ASP H 1 52 ALA MB 0.000 . 6.530 4.028 3.928 4.108 . 0 0 "[ . 1 . 2]" 1
537 1 51 ASP H 1 53 LEU H 0.000 . 4.380 4.022 3.862 4.167 . 0 0 "[ . 1 . 2]" 1
538 1 51 ASP HA 1 53 LEU H 0.000 . 4.290 4.129 3.890 4.326 0.036 11 0 "[ . 1 . 2]" 1
539 1 51 ASP HA 1 54 THR H 0.000 . 3.330 3.300 3.125 3.412 0.082 19 0 "[ . 1 . 2]" 1
540 1 51 ASP HA 1 54 THR HB 0.000 . 3.330 2.977 2.260 3.432 0.102 9 0 "[ . 1 . 2]" 1
541 1 51 ASP HA 1 54 THR MG 0.000 . 6.530 3.928 3.488 4.311 . 0 0 "[ . 1 . 2]" 1
542 1 51 ASP HA 1 55 ALA H 0.000 . 4.010 3.946 3.795 4.041 0.031 18 0 "[ . 1 . 2]" 1
543 1 51 ASP HB2 1 52 ALA H 0.000 . 4.110 4.102 3.714 4.297 0.187 13 0 "[ . 1 . 2]" 1
544 1 51 ASP HB3 1 52 ALA H 0.000 . 4.110 3.175 2.962 3.930 . 0 0 "[ . 1 . 2]" 1
545 1 51 ASP QB 1 52 ALA H 0.000 . 3.640 3.062 2.894 3.592 . 0 0 "[ . 1 . 2]" 1
546 1 52 ALA H 1 52 ALA MB 0.000 . 3.550 2.189 2.080 2.280 . 0 0 "[ . 1 . 2]" 1
547 1 52 ALA H 1 53 LEU H 0.000 . 2.650 2.388 2.321 2.495 . 0 0 "[ . 1 . 2]" 1
548 1 52 ALA H 1 54 THR H 0.000 . 4.820 3.939 3.747 4.105 . 0 0 "[ . 1 . 2]" 1
549 1 52 ALA H 1 55 ALA H 0.000 . 5.160 4.592 4.423 4.686 . 0 0 "[ . 1 . 2]" 1
550 1 52 ALA HA 1 55 ALA H 0.000 . 4.540 3.396 3.219 3.637 . 0 0 "[ . 1 . 2]" 1
551 1 52 ALA HA 1 55 ALA MB 0.000 . 5.500 2.674 2.493 2.971 . 0 0 "[ . 1 . 2]" 1
552 1 52 ALA HA 1 56 ALA H 0.000 . 3.830 3.900 3.869 3.929 0.099 17 0 "[ . 1 . 2]" 1
553 1 52 ALA MB 1 53 LEU H 0.000 . 4.390 2.736 2.551 2.839 . 0 0 "[ . 1 . 2]" 1
554 1 53 LEU H 1 53 LEU HB2 0.000 . 4.040 2.686 2.553 2.778 . 0 0 "[ . 1 . 2]" 1
555 1 53 LEU H 1 53 LEU HB3 0.000 . 4.040 3.587 3.564 3.597 . 0 0 "[ . 1 . 2]" 1
556 1 53 LEU H 1 53 LEU QB 0.000 . 3.420 2.614 2.502 2.686 . 0 0 "[ . 1 . 2]" 1
557 1 53 LEU H 1 53 LEU HG 0.000 . 2.460 1.931 1.775 2.126 . 0 0 "[ . 1 . 2]" 1
558 1 53 LEU H 1 54 THR H 0.000 . 2.710 2.511 2.423 2.554 . 0 0 "[ . 1 . 2]" 1
559 1 53 LEU H 1 55 ALA H 0.000 . 3.980 4.034 4.000 4.076 0.096 6 0 "[ . 1 . 2]" 1
560 1 53 LEU HA 1 53 LEU HG 0.000 . 3.760 3.153 2.988 3.257 . 0 0 "[ . 1 . 2]" 1
561 1 53 LEU HA 1 53 LEU MD1 0.000 . 4.700 3.972 3.941 4.002 . 0 0 "[ . 1 . 2]" 1
562 1 53 LEU HA 1 53 LEU MD2 0.000 . 4.700 2.349 2.130 2.671 . 0 0 "[ . 1 . 2]" 1
563 1 53 LEU HA 1 55 ALA H 0.000 . 4.790 4.533 4.463 4.595 . 0 0 "[ . 1 . 2]" 1
564 1 53 LEU HA 1 56 ALA H 0.000 . 3.610 3.277 3.164 3.408 . 0 0 "[ . 1 . 2]" 1
565 1 53 LEU HA 1 56 ALA MB 0.000 . 6.470 2.278 2.006 2.534 . 0 0 "[ . 1 . 2]" 1
566 1 53 LEU HA 1 57 VAL H 0.000 . 4.540 3.988 3.885 4.046 . 0 0 "[ . 1 . 2]" 1
567 1 53 LEU HB2 1 54 THR H 0.000 . 3.730 2.469 2.418 2.592 . 0 0 "[ . 1 . 2]" 1
568 1 53 LEU HB3 1 54 THR H 0.000 . 3.730 3.749 3.722 3.776 0.046 11 0 "[ . 1 . 2]" 1
569 1 53 LEU QB 1 54 THR H 0.000 . 3.140 2.436 2.390 2.549 . 0 0 "[ . 1 . 2]" 1
570 1 53 LEU QB 1 54 THR HB 0.000 . 6.380 5.003 4.699 5.348 . 0 0 "[ . 1 . 2]" 1
571 1 53 LEU HG 1 54 THR H 0.000 . 5.470 3.880 3.711 4.099 . 0 0 "[ . 1 . 2]" 1
572 1 53 LEU QD 1 54 THR H 0.000 . 8.100 3.814 3.691 3.947 . 0 0 "[ . 1 . 2]" 1
573 1 54 THR H 1 54 THR HB 0.000 . 3.760 2.852 2.463 3.182 . 0 0 "[ . 1 . 2]" 1
574 1 54 THR H 1 54 THR MG 0.000 . 4.300 3.620 3.420 3.752 . 0 0 "[ . 1 . 2]" 1
575 1 54 THR H 1 54 THR HG1 0.000 . 5.500 2.315 1.936 2.981 . 0 0 "[ . 1 . 2]" 1
576 1 54 THR H 1 56 ALA H 0.000 . 3.950 3.959 3.887 3.985 0.035 16 0 "[ . 1 . 2]" 1
577 1 54 THR HA 1 56 ALA H 0.000 . 4.320 4.351 4.324 4.386 0.066 13 0 "[ . 1 . 2]" 1
578 1 54 THR HA 1 57 VAL H 0.000 . 3.580 3.606 3.547 3.647 0.067 11 0 "[ . 1 . 2]" 1
579 1 54 THR HA 1 57 VAL HB 0.000 . 4.570 3.253 3.142 3.434 . 0 0 "[ . 1 . 2]" 1
580 1 54 THR HA 1 57 VAL MG1 0.000 . 5.660 4.606 4.490 4.797 . 0 0 "[ . 1 . 2]" 1
581 1 54 THR HA 1 57 VAL MG2 0.000 . 5.660 3.340 3.121 3.601 . 0 0 "[ . 1 . 2]" 1
582 1 54 THR HA 1 57 VAL QG 0.000 . 5.300 3.265 3.066 3.504 . 0 0 "[ . 1 . 2]" 1
583 1 54 THR HA 1 58 ALA H 0.000 . 4.260 4.001 3.937 4.096 . 0 0 "[ . 1 . 2]" 1
584 1 54 THR HA 1 64 ALA MB 0.000 . 5.570 2.095 1.891 2.395 . 0 0 "[ . 1 . 2]" 1
585 1 54 THR HB 1 55 ALA H 0.000 . 3.110 2.444 2.339 2.588 . 0 0 "[ . 1 . 2]" 1
586 1 54 THR MG 1 55 ALA H 0.000 . 6.530 3.682 3.205 4.008 . 0 0 "[ . 1 . 2]" 1
587 1 54 THR MG 1 55 ALA HA 0.000 . 6.530 4.081 3.329 4.750 . 0 0 "[ . 1 . 2]" 1
588 1 54 THR MG 1 65 THR HA 0.000 . 6.530 2.564 1.480 3.246 . 0 0 "[ . 1 . 2]" 1
589 1 55 ALA H 1 55 ALA MB 0.000 . 3.550 2.154 2.035 2.244 . 0 0 "[ . 1 . 2]" 1
590 1 55 ALA H 1 56 ALA H 0.000 . 2.990 2.606 2.587 2.628 . 0 0 "[ . 1 . 2]" 1
591 1 55 ALA H 1 57 VAL H 0.000 . 5.130 4.311 4.243 4.381 . 0 0 "[ . 1 . 2]" 1
592 1 55 ALA HA 1 57 VAL H 0.000 . 4.720 4.480 4.423 4.543 . 0 0 "[ . 1 . 2]" 1
593 1 55 ALA HA 1 58 ALA H 0.000 . 3.300 3.394 3.358 3.443 0.143 8 0 "[ . 1 . 2]" 1
594 1 55 ALA HA 1 58 ALA MB 0.000 . 5.040 2.447 2.251 2.677 . 0 0 "[ . 1 . 2]" 1
595 1 55 ALA HA 1 59 GLY H 0.000 . 4.040 3.801 3.588 4.043 0.003 6 0 "[ . 1 . 2]" 1
596 1 55 ALA MB 1 56 ALA H 0.000 . 4.230 2.745 2.676 2.817 . 0 0 "[ . 1 . 2]" 1
597 1 56 ALA H 1 56 ALA HA 0.000 . 2.900 2.817 2.803 2.824 . 0 0 "[ . 1 . 2]" 1
598 1 56 ALA H 1 56 ALA MB 0.000 . 3.550 2.129 2.041 2.248 . 0 0 "[ . 1 . 2]" 1
599 1 56 ALA H 1 57 VAL H 0.000 . 2.800 2.737 2.695 2.802 0.002 20 0 "[ . 1 . 2]" 1
600 1 56 ALA H 1 58 ALA H 0.000 . 4.380 4.120 4.057 4.223 . 0 0 "[ . 1 . 2]" 1
601 1 56 ALA HA 1 59 GLY H 0.000 . 3.520 3.550 3.452 3.589 0.069 11 0 "[ . 1 . 2]" 1
602 1 56 ALA MB 1 57 VAL H 0.000 . 4.230 2.520 2.405 2.639 . 0 0 "[ . 1 . 2]" 1
603 1 57 VAL H 1 57 VAL HB 0.000 . 2.650 2.571 2.527 2.614 . 0 0 "[ . 1 . 2]" 1
604 1 57 VAL H 1 57 VAL MG1 0.000 . 4.730 3.785 3.778 3.800 . 0 0 "[ . 1 . 2]" 1
605 1 57 VAL H 1 57 VAL MG2 0.000 . 4.730 2.161 2.009 2.332 . 0 0 "[ . 1 . 2]" 1
606 1 57 VAL H 1 57 VAL QG 0.000 . 4.210 2.148 2.001 2.311 . 0 0 "[ . 1 . 2]" 1
607 1 57 VAL H 1 58 ALA H 0.000 . 2.770 2.639 2.557 2.706 . 0 0 "[ . 1 . 2]" 1
608 1 57 VAL H 1 59 GLY H 0.000 . 4.140 3.894 3.756 4.044 . 0 0 "[ . 1 . 2]" 1
609 1 57 VAL HA 1 57 VAL HB 0.000 . 2.900 3.009 3.004 3.011 0.111 13 0 "[ . 1 . 2]" 1
610 1 57 VAL HA 1 57 VAL MG1 0.000 . 3.430 2.345 2.246 2.436 . 0 0 "[ . 1 . 2]" 1
611 1 57 VAL HA 1 57 VAL MG2 0.000 . 3.430 2.403 2.285 2.495 . 0 0 "[ . 1 . 2]" 1
612 1 57 VAL HA 1 59 GLY H 0.000 . 4.350 4.110 3.881 4.324 . 0 0 "[ . 1 . 2]" 1
613 1 57 VAL HA 1 60 LEU H 0.000 . 3.610 3.420 3.270 3.581 . 0 0 "[ . 1 . 2]" 1
614 1 57 VAL HA 1 60 LEU HB2 0.000 . 3.980 2.416 2.202 2.627 . 0 0 "[ . 1 . 2]" 1
615 1 57 VAL HA 1 60 LEU HB3 0.000 . 3.980 3.837 3.609 4.008 0.028 3 0 "[ . 1 . 2]" 1
616 1 57 VAL HA 1 60 LEU QB 0.000 . 3.450 2.392 2.186 2.594 . 0 0 "[ . 1 . 2]" 1
617 1 57 VAL HB 1 58 ALA H 0.000 . 3.270 2.605 2.463 2.685 . 0 0 "[ . 1 . 2]" 1
618 1 57 VAL HB 1 64 ALA MB 0.000 . 5.600 1.601 1.411 1.903 . 0 0 "[ . 1 . 2]" 1
619 1 57 VAL MG1 1 62 TYR HB2 0.000 . 9.120 2.202 1.782 3.201 . 0 0 "[ . 1 . 2]" 1
620 1 57 VAL MG1 1 62 TYR HB3 0.000 . 9.120 3.326 2.821 3.988 . 0 0 "[ . 1 . 2]" 1
621 1 57 VAL MG2 1 62 TYR HB2 0.000 . 9.120 4.821 4.442 5.706 . 0 0 "[ . 1 . 2]" 1
622 1 57 VAL MG2 1 62 TYR HB3 0.000 . 9.120 5.860 5.316 6.578 . 0 0 "[ . 1 . 2]" 1
623 1 57 VAL QG 1 58 ALA H 0.000 . 6.790 3.262 3.192 3.321 . 0 0 "[ . 1 . 2]" 1
624 1 57 VAL QG 1 58 ALA HA 0.000 . 6.910 3.641 3.478 3.788 . 0 0 "[ . 1 . 2]" 1
625 1 57 VAL QG 1 62 TYR H 0.000 . 6.940 3.887 3.644 4.445 . 0 0 "[ . 1 . 2]" 1
626 1 57 VAL QG 1 62 TYR QB 0.000 . 6.990 2.163 1.767 3.029 . 0 0 "[ . 1 . 2]" 1
627 1 57 VAL QG 1 63 LYS H 0.000 . 8.090 3.674 3.294 4.179 . 0 0 "[ . 1 . 2]" 1
628 1 57 VAL QG 1 63 LYS HA 0.000 . 7.410 4.150 3.776 4.630 . 0 0 "[ . 1 . 2]" 1
629 1 57 VAL QG 1 64 ALA H 0.000 . 7.680 3.601 3.132 3.952 . 0 0 "[ . 1 . 2]" 1
630 1 58 ALA H 1 58 ALA MB 0.000 . 3.580 2.149 2.038 2.245 . 0 0 "[ . 1 . 2]" 1
631 1 58 ALA H 1 59 GLY H 0.000 . 2.710 2.620 2.582 2.700 . 0 0 "[ . 1 . 2]" 1
632 1 58 ALA H 1 59 GLY QA 0.000 . 6.190 4.526 4.494 4.593 . 0 0 "[ . 1 . 2]" 1
633 1 58 ALA H 1 60 LEU H 0.000 . 4.260 3.982 3.897 4.060 . 0 0 "[ . 1 . 2]" 1
634 1 58 ALA H 1 64 ALA H 0.000 . 3.580 3.660 3.630 3.699 0.119 19 0 "[ . 1 . 2]" 1
635 1 58 ALA HA 1 59 GLY H 0.000 . 3.420 3.480 3.438 3.510 0.090 2 0 "[ . 1 . 2]" 1
636 1 58 ALA HA 1 60 LEU H 0.000 . 4.450 3.734 3.518 3.981 . 0 0 "[ . 1 . 2]" 1
637 1 58 ALA HA 1 61 GLY H 0.000 . 4.380 4.369 4.178 4.477 0.097 19 0 "[ . 1 . 2]" 1
638 1 58 ALA HA 1 62 TYR H 0.000 . 3.730 3.699 3.441 3.775 0.045 8 0 "[ . 1 . 2]" 1
639 1 58 ALA HA 1 64 ALA H 0.000 . 3.080 2.991 2.709 3.133 0.053 8 0 "[ . 1 . 2]" 1
640 1 58 ALA MB 1 59 GLY H 0.000 . 4.420 2.799 2.555 2.972 . 0 0 "[ . 1 . 2]" 1
641 1 59 GLY H 1 60 LEU H 0.000 . 2.830 2.500 2.394 2.621 . 0 0 "[ . 1 . 2]" 1
642 1 59 GLY QA 1 61 GLY H 0.000 . 5.040 3.195 3.035 3.335 . 0 0 "[ . 1 . 2]" 1
643 1 60 LEU H 1 60 LEU HB2 0.000 . 3.360 2.169 2.108 2.271 . 0 0 "[ . 1 . 2]" 1
644 1 60 LEU H 1 60 LEU HB3 0.000 . 3.360 3.338 3.298 3.375 0.015 7 0 "[ . 1 . 2]" 1
645 1 60 LEU H 1 60 LEU QB 0.000 . 2.900 2.142 2.085 2.238 . 0 0 "[ . 1 . 2]" 1
646 1 60 LEU H 1 60 LEU HG 0.000 . 3.760 3.742 3.563 3.800 0.040 1 0 "[ . 1 . 2]" 1
647 1 60 LEU H 1 61 GLY H 0.000 . 2.710 2.528 2.342 2.685 . 0 0 "[ . 1 . 2]" 1
648 1 60 LEU H 1 61 GLY HA3 0.000 . 5.500 5.052 4.907 5.181 . 0 0 "[ . 1 . 2]" 1
649 1 60 LEU H 1 61 GLY HA2 0.000 . 5.500 4.839 4.625 4.984 . 0 0 "[ . 1 . 2]" 1
650 1 60 LEU H 1 61 GLY QA 0.000 . 4.830 4.399 4.233 4.522 . 0 0 "[ . 1 . 2]" 1
651 1 60 LEU H 1 62 TYR H 0.000 . 3.670 3.164 2.952 3.443 . 0 0 "[ . 1 . 2]" 1
652 1 60 LEU HA 1 60 LEU HB2 0.000 . 2.800 2.892 2.876 2.903 0.103 12 0 "[ . 1 . 2]" 1
653 1 60 LEU HA 1 60 LEU HB3 0.000 . 2.800 2.777 2.758 2.800 . 17 0 "[ . 1 . 2]" 1
654 1 60 LEU HA 1 60 LEU QB 0.000 . 2.580 2.521 2.515 2.527 . 0 0 "[ . 1 . 2]" 1
655 1 60 LEU HA 1 61 GLY H 0.000 . 3.000 3.100 3.062 3.151 0.151 4 0 "[ . 1 . 2]" 1
656 1 60 LEU HA 1 62 TYR H 0.000 . 5.190 4.361 4.201 4.549 . 0 0 "[ . 1 . 2]" 1
657 1 60 LEU HB2 1 61 GLY H 0.000 . 4.510 3.933 3.810 4.047 . 0 0 "[ . 1 . 2]" 1
658 1 60 LEU HB2 1 62 TYR H 0.000 . 4.230 3.634 3.356 3.820 . 0 0 "[ . 1 . 2]" 1
659 1 60 LEU HB3 1 61 GLY H 0.000 . 4.510 4.028 3.941 4.097 . 0 0 "[ . 1 . 2]" 1
660 1 60 LEU HB3 1 62 TYR H 0.000 . 4.230 3.467 3.204 3.863 . 0 0 "[ . 1 . 2]" 1
661 1 60 LEU QB 1 61 GLY H 0.000 . 4.110 3.544 3.450 3.626 . 0 0 "[ . 1 . 2]" 1
662 1 60 LEU QB 1 62 TYR H 0.000 . 3.880 3.155 2.917 3.422 . 0 0 "[ . 1 . 2]" 1
663 1 61 GLY H 1 62 TYR H 0.000 . 2.800 2.484 2.266 2.663 . 0 0 "[ . 1 . 2]" 1
664 1 61 GLY HA3 1 62 TYR H 0.000 . 3.550 3.197 3.100 3.397 . 0 0 "[ . 1 . 2]" 1
665 1 61 GLY HA2 1 62 TYR H 0.000 . 3.550 3.314 3.062 3.416 . 0 0 "[ . 1 . 2]" 1
666 1 62 TYR H 1 62 TYR HB2 0.000 . 3.640 2.723 2.515 3.019 . 0 0 "[ . 1 . 2]" 1
667 1 62 TYR H 1 62 TYR HB3 0.000 . 3.640 3.689 3.641 3.729 0.089 19 0 "[ . 1 . 2]" 1
668 1 62 TYR H 1 62 TYR QB 0.000 . 3.440 2.653 2.474 2.884 . 0 0 "[ . 1 . 2]" 1
669 1 62 TYR HA 1 63 LYS H 0.000 . 2.900 2.719 2.551 2.860 . 0 0 "[ . 1 . 2]" 1
670 1 62 TYR HB2 1 63 LYS H 0.000 . 3.360 2.809 2.092 3.164 . 0 0 "[ . 1 . 2]" 1
671 1 62 TYR HB3 1 63 LYS H 0.000 . 3.360 2.150 1.728 2.433 . 0 0 "[ . 1 . 2]" 1
672 1 62 TYR QB 1 63 LYS H 0.000 . 2.970 2.062 1.719 2.268 . 0 0 "[ . 1 . 2]" 1
673 1 63 LYS H 1 63 LYS HA 0.000 . 2.930 2.937 2.920 2.945 0.015 11 0 "[ . 1 . 2]" 1
674 1 63 LYS H 1 63 LYS QD 0.000 . 5.320 4.300 3.082 4.986 . 0 0 "[ . 1 . 2]" 1
675 1 63 LYS HA 1 64 ALA H 0.000 . 2.620 2.170 2.142 2.244 . 0 0 "[ . 1 . 2]" 1
676 1 63 LYS QB 1 64 ALA H 0.000 . 5.040 3.621 3.179 3.932 . 0 0 "[ . 1 . 2]" 1
677 1 63 LYS QD 1 64 ALA H 0.000 . 6.380 3.975 2.213 5.491 . 0 0 "[ . 1 . 2]" 1
678 1 64 ALA HA 1 65 THR H 0.000 . 2.430 2.181 2.105 2.275 . 0 0 "[ . 1 . 2]" 1
679 1 65 THR H 1 65 THR HB 0.000 . 3.580 3.340 3.002 3.587 0.007 17 0 "[ . 1 . 2]" 1
680 1 65 THR H 1 65 THR HG1 0.000 . 5.070 2.588 2.008 4.923 . 0 0 "[ . 1 . 2]" 1
681 1 65 THR HA 1 66 LEU H 0.000 . 2.930 2.880 2.723 2.984 0.054 16 0 "[ . 1 . 2]" 1
682 1 65 THR HB 1 66 LEU H 0.000 . 3.360 2.128 1.673 3.450 0.090 11 0 "[ . 1 . 2]" 1
683 1 65 THR MG 1 66 LEU H 0.000 . 5.350 2.460 1.823 3.041 . 0 0 "[ . 1 . 2]" 1
684 1 66 LEU H 1 66 LEU HG 0.000 . 3.670 2.746 2.195 3.697 0.027 1 0 "[ . 1 . 2]" 1
685 1 66 LEU HA 1 67 ALA H 0.000 . 2.520 2.148 2.073 2.241 . 0 0 "[ . 1 . 2]" 1
686 1 66 LEU QB 1 67 ALA H 0.000 . 4.430 3.047 2.683 3.524 . 0 0 "[ . 1 . 2]" 1
687 1 67 ALA HA 1 68 ASP H 0.000 . 2.620 2.322 2.142 2.649 0.029 2 0 "[ . 1 . 2]" 1
688 1 68 ASP H 1 68 ASP HA 0.000 . 2.680 2.826 2.758 2.907 0.227 4 0 "[ . 1 . 2]" 1
689 1 68 ASP H 1 68 ASP HB2 0.000 . 3.790 2.754 2.121 3.613 . 0 0 "[ . 1 . 2]" 1
690 1 68 ASP H 1 68 ASP HB3 0.000 . 3.790 2.664 2.120 3.270 . 0 0 "[ . 1 . 2]" 1
691 1 68 ASP H 1 68 ASP QB 0.000 . 3.350 2.308 2.088 2.868 . 0 0 "[ . 1 . 2]" 1
692 1 68 ASP HA 1 69 ALA H 0.000 . 3.450 2.743 2.134 3.528 0.078 8 0 "[ . 1 . 2]" 1
693 1 68 ASP HB2 1 69 ALA H 0.000 . 5.250 4.057 2.859 4.628 . 0 0 "[ . 1 . 2]" 1
694 1 68 ASP HB3 1 69 ALA H 0.000 . 5.250 3.640 2.066 4.634 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 210
_Distance_constraint_stats_list.Viol_total 205.852
_Distance_constraint_stats_list.Viol_max 0.146
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0490
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.025 0.025 13 0 "[ . 1 . 2]"
1 6 ILE 0.026 0.017 17 0 "[ . 1 . 2]"
1 7 THR 0.847 0.089 8 0 "[ . 1 . 2]"
1 15 ALA 0.338 0.058 4 0 "[ . 1 . 2]"
1 16 ALA 0.722 0.130 7 0 "[ . 1 . 2]"
1 17 HIS 1.212 0.146 20 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.352 0.058 4 0 "[ . 1 . 2]"
1 20 GLU 3.030 0.145 13 0 "[ . 1 . 2]"
1 21 ALA 1.212 0.146 20 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.014 0.014 7 0 "[ . 1 . 2]"
1 24 LYS 2.308 0.145 13 0 "[ . 1 . 2]"
1 30 SER 0.505 0.097 16 0 "[ . 1 . 2]"
1 32 LEU 0.013 0.013 1 0 "[ . 1 . 2]"
1 34 SER 2.059 0.140 15 0 "[ . 1 . 2]"
1 38 GLY 0.026 0.017 17 0 "[ . 1 . 2]"
1 39 THR 2.059 0.140 15 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.013 0.013 1 0 "[ . 1 . 2]"
1 43 ALA 0.505 0.097 16 0 "[ . 1 . 2]"
1 52 ALA 0.342 0.052 13 0 "[ . 1 . 2]"
1 53 LEU 1.207 0.089 19 0 "[ . 1 . 2]"
1 54 THR 0.674 0.070 6 0 "[ . 1 . 2]"
1 56 ALA 0.342 0.052 13 0 "[ . 1 . 2]"
1 57 VAL 1.207 0.089 19 0 "[ . 1 . 2]"
1 58 ALA 0.674 0.070 6 0 "[ . 1 . 2]"
1 63 LYS 0.847 0.089 8 0 "[ . 1 . 2]"
1 65 THR 0.025 0.025 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LYS H 1 65 THR O 0.000 . 2.400 1.936 1.709 2.425 0.025 13 0 "[ . 1 . 2]" 2
2 1 5 LYS N 1 65 THR O 0.000 . 3.200 2.891 2.685 3.194 . 0 0 "[ . 1 . 2]" 2
3 1 5 LYS O 1 65 THR H 0.000 . 2.400 1.841 1.681 2.055 . 0 0 "[ . 1 . 2]" 2
4 1 5 LYS O 1 65 THR N 0.000 . 3.200 2.810 2.647 3.007 . 0 0 "[ . 1 . 2]" 2
5 1 7 THR H 1 63 LYS O 0.000 . 2.400 2.009 1.670 2.385 . 0 0 "[ . 1 . 2]" 2
6 1 7 THR N 1 63 LYS O 0.000 . 3.200 2.831 2.627 3.060 . 0 0 "[ . 1 . 2]" 2
7 1 7 THR O 1 63 LYS H 0.000 . 2.400 2.359 2.047 2.489 0.089 8 0 "[ . 1 . 2]" 2
8 1 7 THR O 1 63 LYS N 0.000 . 3.200 3.192 3.004 3.265 0.065 13 0 "[ . 1 . 2]" 2
9 1 4 LEU H 1 40 ALA O 0.000 . 2.400 1.882 1.746 2.062 . 0 0 "[ . 1 . 2]" 2
10 1 4 LEU N 1 40 ALA O 0.000 . 3.200 2.835 2.695 3.034 . 0 0 "[ . 1 . 2]" 2
11 1 4 LEU O 1 40 ALA H 0.000 . 2.400 1.758 1.688 1.867 . 0 0 "[ . 1 . 2]" 2
12 1 4 LEU O 1 40 ALA N 0.000 . 3.200 2.710 2.642 2.779 . 0 0 "[ . 1 . 2]" 2
13 1 6 ILE H 1 38 GLY O 0.000 . 2.400 2.021 1.794 2.286 . 0 0 "[ . 1 . 2]" 2
14 1 6 ILE N 1 38 GLY O 0.000 . 3.200 2.964 2.768 3.217 0.017 17 0 "[ . 1 . 2]" 2
15 1 30 SER O 1 43 ALA H 0.000 . 2.400 1.770 1.685 1.885 . 0 0 "[ . 1 . 2]" 2
16 1 30 SER O 1 43 ALA N 0.000 . 3.200 2.727 2.646 2.800 . 0 0 "[ . 1 . 2]" 2
17 1 30 SER H 1 43 ALA O 0.000 . 2.400 2.258 1.980 2.409 0.009 20 0 "[ . 1 . 2]" 2
18 1 30 SER N 1 43 ALA O 0.000 . 3.200 3.188 2.931 3.297 0.097 16 0 "[ . 1 . 2]" 2
19 1 32 LEU O 1 41 GLN H 0.000 . 2.400 1.912 1.806 2.196 . 0 0 "[ . 1 . 2]" 2
20 1 32 LEU O 1 41 GLN N 0.000 . 3.200 2.840 2.720 3.100 . 0 0 "[ . 1 . 2]" 2
21 1 32 LEU H 1 41 GLN O 0.000 . 2.400 1.942 1.744 2.252 . 0 0 "[ . 1 . 2]" 2
22 1 32 LEU N 1 41 GLN O 0.000 . 3.200 2.866 2.667 3.213 0.013 1 0 "[ . 1 . 2]" 2
23 1 34 SER H 1 39 THR O 0.000 . 2.400 1.774 1.673 2.012 . 0 0 "[ . 1 . 2]" 2
24 1 34 SER N 1 39 THR O 0.000 . 3.200 2.673 2.625 2.755 . 0 0 "[ . 1 . 2]" 2
25 1 34 SER O 1 39 THR H 0.000 . 2.400 2.398 2.203 2.480 0.080 17 0 "[ . 1 . 2]" 2
26 1 34 SER O 1 39 THR N 0.000 . 3.200 3.276 3.142 3.340 0.140 15 0 "[ . 1 . 2]" 2
27 1 54 THR O 1 58 ALA H 0.000 . 2.000 1.865 1.820 1.904 . 0 0 "[ . 1 . 2]" 2
28 1 54 THR O 1 58 ALA N 0.000 . 2.800 2.833 2.779 2.870 0.070 6 0 "[ . 1 . 2]" 2
29 1 53 LEU O 1 57 VAL H 0.000 . 2.000 1.908 1.868 1.943 . 0 0 "[ . 1 . 2]" 2
30 1 53 LEU O 1 57 VAL N 0.000 . 2.800 2.860 2.829 2.889 0.089 19 0 "[ . 1 . 2]" 2
31 1 52 ALA O 1 56 ALA H 0.000 . 2.000 1.960 1.851 2.017 0.017 10 0 "[ . 1 . 2]" 2
32 1 52 ALA O 1 56 ALA N 0.000 . 2.800 2.791 2.706 2.852 0.052 13 0 "[ . 1 . 2]" 2
33 1 20 GLU O 1 24 LYS H 0.000 . 2.000 2.100 2.067 2.145 0.145 13 0 "[ . 1 . 2]" 2
34 1 20 GLU O 1 24 LYS N 0.000 . 2.800 2.798 2.727 2.874 0.074 14 0 "[ . 1 . 2]" 2
35 1 19 LYS O 1 23 GLU H 0.000 . 2.200 1.877 1.820 2.082 . 0 0 "[ . 1 . 2]" 2
36 1 19 LYS O 1 23 GLU N 0.000 . 3.000 2.813 2.732 3.014 0.014 7 0 "[ . 1 . 2]" 2
37 1 18 VAL O 1 22 LEU H 0.000 . 2.200 1.940 1.821 2.036 . 0 0 "[ . 1 . 2]" 2
38 1 18 VAL O 1 22 LEU N 0.000 . 3.000 2.832 2.721 2.942 . 0 0 "[ . 1 . 2]" 2
39 1 17 HIS O 1 21 ALA H 0.000 . 2.000 1.947 1.811 2.007 0.007 20 0 "[ . 1 . 2]" 2
40 1 17 HIS O 1 21 ALA N 0.000 . 2.800 2.857 2.733 2.946 0.146 20 0 "[ . 1 . 2]" 2
41 1 16 ALA O 1 20 GLU H 0.000 . 2.000 1.892 1.825 1.967 . 0 0 "[ . 1 . 2]" 2
42 1 16 ALA O 1 20 GLU N 0.000 . 2.800 2.831 2.749 2.930 0.130 7 0 "[ . 1 . 2]" 2
43 1 15 ALA O 1 19 LYS H 0.000 . 2.000 1.875 1.762 1.998 . 0 0 "[ . 1 . 2]" 2
44 1 15 ALA O 1 19 LYS N 0.000 . 2.800 2.799 2.710 2.858 0.058 4 0 "[ . 1 . 2]" 2
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